A0A087Y1B9_POEFO Loading...

ATP-binding cassette sub-family G member 8

AlphaFold DB , UniProt , Accession A0A087Y1B9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 666 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	40.5	Very low	33.5	Very low	235 Å²	235	175 Å²	175	100%	1.158	88%	0.883	S	S	*	*				0	81	0	-107.5	179.2	167.5	0	0	102.9
2	D	33.9	Very low	33.4	Very low	143 Å²	143	169.3 Å²	169.3	77%	0.765	87%	0.872	S	S	*	*			trans	-131.7	162.4	-158.3	-64.1	-73.3	0	0	0	108.3
3	T	31.3	Very low	33.1	Very low	137 Å²	137	172.2 Å²	172.2	84%	0.84	88%	0.875	S	S	*	*			trans	84.1	89.2	165.9	72.3	0	0	0	0	117.3
4	E	34.3	Very low	33.1	Very low	194 Å²	194	167.7 Å²	167.7	91%	0.907	87%	0.867	S	S	*	*			trans	-139.4	89.2	145.7	-105.1	-175.3	174	0	0	108.2
5	T	36.7	Very low	32.9	Very low	129 Å²	129	169.1 Å²	169.1	79%	0.791	87%	0.868	S	S	*	*			trans	-162.3	118.2	162.7	9.3	0	0	0	0	105.9
6	D	30.6	Very low	32.7	Very low	160 Å²	160	169.5 Å²	169.5	86%	0.856	86%	0.864	S	S	*	*			trans	130.4	76.2	167.3	-69.3	-15.1	0	0	0	112.7
7	L	35	Very low	32.6	Very low	175 Å²	175	165.8 Å²	165.8	92%	0.916	85%	0.852	S	S	*	*			trans	-124.3	77.8	161.8	-96.4	159.9	0	0	0	108
8	R	33	Very low	32.4	Very low	232 Å²	232	164.9 Å²	164.9	88%	0.875	85%	0.849	S	S	*	*	S	Bend	trans	-168.3	124.1	159	-101.6	164.6	-162.1	-163.4	5.2	107.6
9	H	32.6	Very low	32.2	Very low	188 Å²	188	162.1 Å²	162.1	87%	0.87	84%	0.84	S	S	*	*			trans	89.1	95.6	-172.8	-61	-71	0	0	0	115.1
10	I	30.3	Very low	31.9	Very low	166 Å²	166	161.9 Å²	161.9	85%	0.851	84%	0.835	S	S	*	*				-178.6	99.7	122.9	-79.4	143.7	0	0	0	104.8
11	D	30.2	Very low	31.7	Very low	166 Å²	166	161.1 Å²	161.1	89%	0.888	83%	0.832	S	S	*	*			trans	-157.1	83.7	163.1	-102	-20.6	0	0	0	106.3
12	S	32.3	Very low	31.3	Very low	107 Å²	107	159.4 Å²	159.4	75%	0.748	82%	0.819	S	S	*	*			trans	175.3	51.8	164	42.6	0	0	0	0	112.2
13	F	29.5	Very low	31.2	Very low	206 Å²	206	156.7 Å²	156.7	90%	0.904	81%	0.81	S	S	*	*			trans	-157.5	101.8	161.6	-99.9	-77	0	0	0	110.1
14	S	32.5	Very low	31.3	Very low	110 Å²	110	155 Å²	155	77%	0.769	81%	0.805	S	S	*	*			trans	156.5	73.7	147.8	52.6	0	0	0	0	112.5
15	Q	30.1	Very low	31.2	Very low	188 Å²	188	154.7 Å²	154.7	88%	0.879	80%	0.803	S	S	*	*	S	Bend	trans	-136.8	13.4	160.3	-88.4	-169.2	-13.4	0	0	113.7
16	H	30.9	Very low	31.2	Very low	176 Å²	176	156 Å²	156	82%	0.815	80%	0.8	S	S	*	*	S	Bend	trans	-134.1	77.1	176.1	-83.3	-62.2	0	0	0	109.5
17	T	30.8	Very low	31.5	Very low	107 Å²	107	156.2 Å²	156.2	66%	0.656	80%	0.801	S	S	*	*	S	Bend	trans	-166.8	8.6	161.4	17.2	0	0	0	0	116.5
18	D	27.9	Very low	31.7	Very low	149 Å²	149	151.5 Å²	151.5	80%	0.797	78%	0.783	S	S	*	*	S	Bend	trans	-116.7	-0	179.1	-71.1	-29.1	0	0	0	114.6
19	T	28.7	Very low	32	Very low	111 Å²	111	142.7 Å²	142.7	68%	0.681	76%	0.757	S	S	*	*	S	Bend	trans	-102.2	-6.6	179.4	8.2	0	0	0	0	114.2	S23	T19-S23 PolarHBondContact O-OG 3.5Å
20	E	26.8	Very low	32.6	Very low	158 Å²	158	140.1 Å²	140.1	74%	0.738	75%	0.749	S	S	*	*	S	Bend	trans	-96.9	-6.7	-179.4	-72.8	-173.7	161.6	0	0	114.1	F22	E20-F22 VanDerWaalsContact C-N 3.33Å; E20-F22 PolarHBondContact O-N 2.93Å
21	L	28.1	Very low	33.3	Very low	147 Å²	147	139.9 Å²	139.9	77%	0.77	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.5	-1.8	179.8	-123.2	128.2	0	0	0	114.2
22	F	31.3	Very low	34.6	Very low	199 Å²	199	132.1 Å²	132.1	87%	0.873	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.5	13.6	-179.9	-75.6	-74.3	0	0	0	114.1	E20	E20-F22 VanDerWaalsContact C-N 3.33Å; E20-F22 PolarHBondContact O-N 2.93Å
23	S	31.6	Very low	35.9	Very low	85 Å²	85	130.7 Å²	130.7	59%	0.594	68%	0.684	S	S	*	*	S	Bend	trans	-124.3	21.5	-173.7	55.2	0	0	0	0	115.2	T19	T19-S23 PolarHBondContact O-OG 3.5Å
24	S	33.1	Very low	37.7	Very low	103 Å²	103	123.3 Å²	123.3	72%	0.72	65%	0.65	S	S	*	*			trans	-142.6	64.6	174.9	74.2	0	0	0	0	114.4
25	E	32.5	Very low	39	Very low	187 Å²	187	123 Å²	123	87%	0.874	65%	0.648	S	S	*	*	S	Bend	trans	-139.9	92.1	149.6	-77	-169.6	164.9	0	0	107	D27	E25-D27 PolarHBondContact O-N 3.12Å
26	E	37.5	Very low	40.5	Very low	155 Å²	155	115.5 Å²	115.5	72%	0.724	62%	0.621	S	S	*	*			trans	27.2	86.4	161.1	-62.9	178.9	169	0	0	116.2	S28	E26-S28 CarbonylContact O-C 3.59Å; E26-S28 PolarHBondContact O-N 3.16Å
27	D	36.3	Very low	42.5	Very low	166 Å²	166	115 Å²	115	89%	0.888	62%	0.619	S	S	*	*	S	Bend	trans	-66.7	18.6	-179.1	-111.7	-19.7	0	0	0	115.4	E25	E25-D27 PolarHBondContact O-N 3.12Å
28	S	39.3	Very low	44.9	Very low	75 Å²	75	114.2 Å²	114.2	52%	0.524	62%	0.617	S	S	.	*	S	Bend	trans	-139.3	102.3	165.8	58.9	0	0	0	0	107.5	E26 L30	E26-S28 CarbonylContact O-C 3.59Å; E26-S28 PolarHBondContact O-N 3.16Å; S28-L30 PolarHBondContact O-N 2.89Å
29	S	40	Very low	47.6	Very low	47 Å²	47	107.6 Å²	107.6	33%	0.329	58%	0.582	S	S	.	*			trans	-65.9	91.3	165.8	56.4	0	0	0	0	108.2	Y31 F32 E185	S29-Y31 PolarHBondContact O-N 3.09Å; S29-F32 PolarHBondContact O-N 2.9Å; S29-E185 WeakPolarHBondContact CB-OE2 3.26Å; S29-E185 PolarHBondContact OG-OE1 3.36Å; S29-E185 PolarHBondContact OG-OE2 3.45Å
30	L	44.3	Very low	50.5	Low	134 Å²	134	104.6 Å²	104.6	70%	0.702	56%	0.56	S	S	*	*	G	3₁₀ helix	trans	-51	-18.6	173.3	-86.9	153.5	0	0	0	112.6	S28 F32	S28-L30 PolarHBondContact O-N 2.89Å; L30-F32 PolarHBondContact O-N 3.28Å
31	Y	45.5	Very low	53.4	Low	161 Å²	161	97 Å²	97	63%	0.631	53%	0.525	S	S	*	.	G	3₁₀ helix	trans	-72.6	-20.7	-177	-60.1	-77.8	0	0	0	114.8	S29	S29-Y31 PolarHBondContact O-N 3.09Å
32	F	56.7	Low	56.4	Low	4 Å²	4	92.3 Å²	92.3	2%	0.018	50%	0.499	C	S	.	.	G	3₁₀ helix	trans	-129.1	26.7	-174.1	-86.7	-100.8	0	0	0	113.9	S29 L30 Y34 R178 D181 V182 E185 R254	S29-F32 PolarHBondContact O-N 2.9Å; L30-F32 PolarHBondContact O-N 3.28Å; F32-Y34 PolarHBondContact O-N 3.23Å; F32-R178 VanDerWaalsContact CZ-CZ 3.5Å; F32-D181 HydrophobicContact CE2-CB 3.81Å; F32-D181 HydrophobicContact CZ-CB 4.35Å; F32-V182 HydrophobicContact CE1-CG2 4.03Å; F32-V182 HydrophobicContact CZ-CB 4.2Å; F32-V182 HydrophobicContact CZ-CG2 3.51Å; F32-E185 HydrophobicContact CD2-CB 4.23Å; F32-E185 HydrophobicContact CD2-CG 4.18Å; F32-E185 HydrophobicContact CE2-CB 4.02Å; F32-E185 HydrophobicContact CE2-CG 4.39Å; F32-E185 HydrophobicContact CG-CG 4.37Å; F32-E185 HydrophobicContact CZ-CB 4.47Å; F32-R254 VanDerWaalsContact CD1-NH2 3.3Å; F32-R254 PolarHBondContact O-NH1 3.06Å; F32-R254 PolarHBondContact O-NH2 2.98Å
33	T	61.4	Low	59.1	Low	77 Å²	77	82.9 Å²	82.9	47%	0.472	46%	0.457	S	S	.	.			trans	-68.1	123	162.6	-36.1	0	0	0	0	108.6	S35	T33-S35 PolarHBondContact O-N 3.37Å; T33-S35 VanDerWaalsContact O-N 3.08Å
34	Y	67.2	Low	61.7	Low	50 Å²	50	79.4 Å²	79.4	20%	0.196	43%	0.433	C	S	.	.			trans	-65.6	110.8	171	-179.5	-104.4	0	0	0	108.2	F32 G36 E37 N39 N221 G252 N253	F32-Y34 PolarHBondContact O-N 3.23Å; Y34-G36 PolarHBondContact O-N 2.66Å; Y34-E37 WeakPolarHBondContact CE1-O 3.26Å; Y34-N39 WeakPolarHBondContact CE1-ND2 3.48Å; Y34-N221 WeakPolarHBondContact CE2-O 3.23Å; Y34-G252 PolarHBondContact N-O 2.88Å; Y34-N253 PolarHBondContact O-ND2 3.23Å
35	S	58.1	Low	64.2	Low	104 Å²	104	78.5 Å²	78.5	73%	0.727	42%	0.42	S	S	*	.			trans	-81.2	-0.8	-176.3	54	0	0	0	0	113.9	T33	T33-S35 PolarHBondContact O-N 3.37Å; T33-S35 VanDerWaalsContact O-N 3.08Å
36	G	63.4	Low	66.7	Low	31 Å²	31	69.6 Å²	69.6	32%	0.32	38%	0.378	S	S	.	.	S	Bend	trans	-82.6	177.7	175.3	0	0	0	0	0	113.2	Y34	Y34-G36 PolarHBondContact O-N 2.66Å
37	E	72.9	Confident	69	Low	165 Å²	165	64 Å²	64	77%	0.771	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-60.7	149.7	175.6	-63.6	-179.5	169.2	0	0	111.5	Y34 N39	Y34-E37 WeakPolarHBondContact CE1-O 3.26Å; E37-N39 PolarHBondContact O-N 2.56Å; E37-N39 VanDerWaalsContact O-N 3.15Å
38	C	80	Confident	71.4	Confident	91 Å²	91	56.4 Å²	56.4	62%	0.615	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-59.3	121.2	173.8	-66.8	0	0	0	0	109.6	N253	C38-N253 PolarHBondContact SG-OD1 3.41Å; C38-N253 VanDerWaalsContact SG-OD1 3.33Å
39	N	85.8	Confident	73.5	Confident	9 Å²	9	55.2 Å²	55.2	5%	0.048	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-83.2	148.1	179	-63	-72.4	0	0	0	110.2	Y34 E37 R87 S88 N126 G223 I224	Y34-N39 WeakPolarHBondContact CE1-ND2 3.48Å; E37-N39 PolarHBondContact O-N 2.56Å; E37-N39 VanDerWaalsContact O-N 3.15Å; N39-R87 CarbonylContact O-C 3.58Å; N39-R87 WeakPolarHBondContact O-CA 2.92Å; N39-S88 PolarHBondContact N-OG 3.13Å; N39-S88 PolarHBondContact O-N 3.26Å; N39-N126 WeakPolarHBondContact CA-OD1 3.4Å; N39-N126 WeakPolarHBondContact CB-OD1 3.46Å; N39-N126 PolarHBondContact OD1-ND2 3.24Å; N39-N126 PolarHBondContact OD1-OD1 3.49Å; N39-G223 WeakPolarHBondContact ND2-CA 3.49Å; N39-I224 HydrophobicContact CB-CD1 4.09Å; N39-I224 HydrophobicContact CB-CG1 3.83Å
40	E	88.4	Confident	75.4	Confident	48 Å²	48	53.5 Å²	53.5	22%	0.224	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.2	176.7	-177.8	160.3	-128.1	0	0	109.1	R85 V86 R87 N126	E40-R85 IonicContact OE1-CZ 2.68Å; E40-R85 IonicContact OE1-NE 3.12Å; E40-R85 PolarHBondContact OE1-NE 2.94Å; E40-R85 IonicContact OE1-NH2 2.65Å; E40-R85 PolarHBondContact OE1-NH2 3.33Å; E40-R85 IonicContact OE2-NH2 2.66Å; E40-R85 PolarHBondContact OE2-NH2 3.12Å; E40-V86 WeakPolarHBondContact CA-O 3.35Å; E40-R87 HydrophobicContact CG-CG 4.35Å; E40-R87 IonicContact OE1-CZ 2.8Å; E40-R87 IonicContact OE1-NE 3.74Å; E40-R87 PolarHBondContact OE1-NE 2.84Å; E40-R87 IonicContact OE1-NH2 3.64Å; E40-N126 PolarHBondContact N-OD1 3.18Å; E40-N126 PolarHBondContact O-N 2.88Å; E40-N126 PolarHBondContact O-OD1 2.95Å
41	L	88.9	Confident	76.7	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120	172.6	178.9	68.3	0	0	0	108.3	R85 V86 I109 V123 I125 L255 L257	L41-R85 WeakPolarHBondContact O-CA 3.44Å; L41-V86 PolarHBondContact N-O 3.25Å; L41-V86 PolarHBondContact O-N 3.45Å; L41-I109 HydrophobicContact CD1-CG2 4.04Å; L41-I109 HydrophobicContact CD2-CD1 4.24Å; L41-I109 HydrophobicContact CD2-CG2 3.99Å; L41-V123 HydrophobicContact CD1-CG1 4.02Å; L41-I125 HydrophobicContact CD1-CG1 4.07Å; L41-L255 HydrophobicContact CB-CD1 3.84Å; L41-L257 HydrophobicContact CD2-CD1 4.01Å
42	E	89.6	Confident	77.7	Confident	48 Å²	48	43.7 Å²	43.7	22%	0.224	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	129.5	178.8	-177.1	-174.7	174.8	0	0	109.2	T44 L84 V123 L124	E42-T44 HydrophobicContact CG-CG2 4.02Å; E42-T44 WeakPolarHBondContact OE1-CG2 3.41Å; E42-L84 WeakPolarHBondContact CA-O 3.27Å; E42-V123 CarbonylContact O-C 3.58Å; E42-V123 WeakPolarHBondContact O-CA 3.35Å; E42-L124 HydrophobicContact CB-CB 4.27Å; E42-L124 PolarHBondContact N-O 3.03Å; E42-L124 PolarHBondContact O-N 2.87Å
43	V	88.8	Confident	77.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	128.9	174.2	177	0	0	0	0	106.1	L46 S83 L84 I109 V123	V43-L46 HydrophobicContact CG1-CB 3.62Å; V43-L46 HydrophobicContact CG1-CD2 3.8Å; V43-L46 HydrophobicContact CG1-CG 4.29Å; V43-S83 CarbonylContact O-C 3.53Å; V43-S83 WeakPolarHBondContact O-CA 3.38Å; V43-L84 HydrophobicContact CB-CD1 3.76Å; V43-L84 HydrophobicContact CB-CG 3.8Å; V43-L84 HydrophobicContact CG2-CD1 3.45Å; V43-L84 VanDerWaalsContact CG2-CD1 3.45Å; V43-L84 HydrophobicContact CG2-CG 3.95Å; V43-L84 PolarHBondContact N-O 3.3Å; V43-L84 PolarHBondContact O-N 3.45Å; V43-I109 HydrophobicContact CG2-CG1 4.41Å; V43-V123 HydrophobicContact CG1-CG2 4.37Å; V43-V123 HydrophobicContact CG2-CG1 4.17Å; V43-V123 HydrophobicContact CG2-CG2 4.17Å
44	T	86.3	Confident	77.6	Confident	13 Å²	13	43 Å²	43	8%	0.08	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	128.4	-176.7	42.5	0	0	0	0	110.7	E42 L46 G121 H122	E42-T44 HydrophobicContact CG-CG2 4.02Å; E42-T44 WeakPolarHBondContact OE1-CG2 3.41Å; T44-L46 PolarHBondContact O-N 2.88Å; T44-L46 VanDerWaalsContact O-N 3.11Å; T44-G121 CarbonylContact O-C 3.53Å; T44-G121 WeakPolarHBondContact O-CA 3.42Å; T44-H122 PolarHBondContact N-O 3.07Å; T44-H122 PolarHBondContact O-N 3.46Å; T44-H122 PolarHBondContact OG1-CD2 3.38Å; T44-H122 PolarHBondContact OG1-O 3.26Å
45	N	84.8	Confident	77.2	Confident	84 Å²	84	44.4 Å²	44.4	45%	0.449	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	47.6	41.5	174.6	-59.8	-32.3	0	0	0	113.9	H47 N81 L82 S83 S120 G121	N45-H47 PolarHBondContact O-N 3.4Å; N45-N81 WeakPolarHBondContact CA-OD1 3.28Å; N45-N81 PolarHBondContact OD1-OD1 3.36Å; N45-L82 PolarHBondContact N-O 3.18Å; N45-S83 PolarHBondContact N-OG 2.59Å; N45-S83 PolarHBondContact OD1-OG 2.89Å; N45-S120 CarbonylContact O-C 3.55Å; N45-G121 WeakPolarHBondContact O-CA 3.5Å; N45-G121 PolarHBondContact O-N 3.19Å
46	L	85.2	Confident	77.4	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	121.4	-174.6	176.8	64.3	0	0	0	110.7	V43 T44 I79 N81 L82 L105 I108 M118	V43-L46 HydrophobicContact CG1-CB 3.62Å; V43-L46 HydrophobicContact CG1-CD2 3.8Å; V43-L46 HydrophobicContact CG1-CG 4.29Å; T44-L46 PolarHBondContact O-N 2.88Å; T44-L46 VanDerWaalsContact O-N 3.11Å; L46-I79 HydrophobicContact CD2-CD1 4.17Å; L46-I79 HydrophobicContact CD2-CG2 4.3Å; L46-I79 HydrophobicContact CG-CG2 4.3Å; L46-N81 WeakPolarHBondContact O-CA 3.29Å; L46-N81 PolarHBondContact O-N 3.32Å; L46-L82 HydrophobicContact CB-CB 4.32Å; L46-L82 WeakPolarHBondContact CB-O 3.25Å; L46-L82 PolarHBondContact N-O 3.47Å; L46-L82 PolarHBondContact O-N 2.84Å; L46-L82 VanDerWaalsContact O-N 3.15Å; L46-L105 HydrophobicContact CD2-CD1 3.81Å; L46-I108 HydrophobicContact CD1-CG2 3.94Å; L46-I108 HydrophobicContact CD2-CD1 4.1Å; L46-I108 HydrophobicContact CD2-CG2 4.05Å; L46-M118 HydrophobicContact CD1-CE 3.59Å; L46-M118 HydrophobicContact CD1-CG 3.96Å; L46-M118 HydrophobicContact CD1-SD 3.93Å
47	H	86.9	Confident	77.3	Confident	37 Å²	37	41.5 Å²	41.5	17%	0.171	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.5	170.6	-164.8	57.9	0	0	0	109.1	N45 E49 T77 I79 T119 S120	N45-H47 PolarHBondContact O-N 3.4Å; H47-E49 IonicContact CD2-OE1 3.63Å; H47-E49 IonicContact NE2-OE1 2.69Å; H47-E49 PolarHBondContact NE2-OE1 3.01Å; H47-T77 WeakPolarHBondContact CE1-CG2 2.97Å; H47-I79 WeakPolarHBondContact CA-O 3.4Å; H47-I79 PolarHBondContact ND1-O 3.39Å; H47-T119 PolarHBondContact CD2-OG1 3.1Å; H47-T119 PolarHBondContact O-N 3.36Å; H47-T119 PolarHBondContact O-OG1 3.14Å; H47-S120 WeakPolarHBondContact CB-OG 3.37Å; H47-S120 PolarHBondContact N-O 3.41Å
48	Y	85	Confident	76.9	Confident	7 Å²	7	40.3 Å²	40.3	3%	0.027	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	123.6	-175.6	-175.8	-112.3	0	0	0	110.6	V50 A78 I79 I108 G116	Y48-V50 HydrophobicContact CD1-CG2 3.84Å; Y48-V50 HydrophobicContact CE1-CG2 3.32Å; Y48-A78 HydrophobicContact CD1-CB 3.94Å; Y48-A78 PolarHBondContact O-N 2.69Å; Y48-I79 PolarHBondContact N-O 3.46Å; Y48-I79 PolarHBondContact O-N 3Å; Y48-I108 HydrophobicContact CD1-CD1 3.55Å; Y48-I108 HydrophobicContact CD1-CG1 4.17Å; Y48-I108 HydrophobicContact CD2-CD1 3.68Å; Y48-I108 HydrophobicContact CD2-CG1 3.76Å; Y48-I108 HydrophobicContact CE1-CD1 4.06Å; Y48-I108 HydrophobicContact CE1-CG1 4.23Å; Y48-I108 HydrophobicContact CE2-CD1 4.19Å; Y48-I108 HydrophobicContact CE2-CG1 3.84Å; Y48-I108 HydrophobicContact CG-CD1 3.33Å; Y48-I108 HydrophobicContact CG-CG1 3.94Å; Y48-G116 VanDerWaalsContact CE2-C 3.44Å; Y48-G116 VanDerWaalsContact CZ-CA 3.46Å; Y48-G116 WeakPolarHBondContact OH-CA 3.43Å; Y48-G116 PolarHBondContact OH-N 2.89Å
49	E	84.6	Confident	75.9	Confident	50 Å²	50	37.9 Å²	37.9	23%	0.234	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.7	177	-69.8	176.6	-169.5	0	0	109.5	H47 G116 R117 T119	H47-E49 IonicContact CD2-OE1 3.63Å; H47-E49 IonicContact NE2-OE1 2.69Å; H47-E49 PolarHBondContact NE2-OE1 3.01Å; E49-G116 CarbonylContact O-C 3.49Å; E49-G116 WeakPolarHBondContact O-CA 3.44Å; E49-R117 PolarHBondContact N-O 3.46Å; E49-R117 PolarHBondContact O-N 2.92Å; E49-T119 HydrophobicContact CG-CG2 4.24Å
50	V	78.7	Confident	74.8	Confident	11 Å²	11	41.4 Å²	41.4	7%	0.067	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.3	173.3	176.9	0	0	0	0	107.9	Y48 T52 Q55 Q76 A78	Y48-V50 HydrophobicContact CD1-CG2 3.84Å; Y48-V50 HydrophobicContact CE1-CG2 3.32Å; V50-T52 PolarHBondContact O-N 2.87Å; V50-Q55 VanDerWaalsContact CG1-CD 3.48Å; V50-Q55 HydrophobicContact CG1-CG 4.09Å; V50-Q55 VanDerWaalsContact CG1-NE2 3.28Å; V50-Q76 PolarHBondContact N-O 2.88Å; V50-Q76 PolarHBondContact O-N 3.29Å; V50-A78 HydrophobicContact CB-CB 4.37Å; V50-A78 HydrophobicContact CG2-CB 3.59Å
51	D	72.3	Confident	73.4	Confident	43 Å²	43	43 Å²	43	23%	0.23	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	99.3	168.2	-169.1	-13.9	0	0	0	108	S53 A54 Q55 G115	D51-S53 VanDerWaalsContact CG-OG 3.31Å; D51-S53 PolarHBondContact O-N 3.21Å; D51-S53 VanDerWaalsContact O-N 3.14Å; D51-S53 WeakPolarHBondContact OD1-CB 3.44Å; D51-S53 PolarHBondContact OD1-N 3.16Å; D51-S53 PolarHBondContact OD1-OG 3.3Å; D51-S53 PolarHBondContact OD2-OG 3.45Å; D51-A54 HydrophobicContact CB-CB 3.8Å; D51-A54 WeakPolarHBondContact O-CA 3.07Å; D51-A54 WeakPolarHBondContact O-CB 3.26Å; D51-A54 PolarHBondContact O-N 3.06Å; D51-Q55 PolarHBondContact O-N 3.22Å; D51-G115 PolarHBondContact N-O 3.33Å
52	T	66.3	Low	71.9	Confident	46 Å²	46	48.3 Å²	48.3	28%	0.282	24%	0.241	S	C	.	.	H	α-helix	trans	-56.4	-28.9	177.7	42.9	0	0	0	0	111.7	V50 Q55 N74 Q76	V50-T52 PolarHBondContact O-N 2.87Å; T52-Q55 PolarHBondContact O-N 2.87Å; T52-N74 PolarHBondContact OG1-O 3.02Å; T52-Q76 HydrophobicContact CG2-CG 4.47Å
53	S	59.4	Low	70.4	Confident	17 Å²	17	50.1 Å²	50.1	12%	0.119	26%	0.259	C	S	.	.	H	α-helix	trans	-74	-24.9	175.4	79	0	0	0	0	113.1	D51 K61 G73	D51-S53 VanDerWaalsContact CG-OG 3.31Å; D51-S53 PolarHBondContact O-N 3.21Å; D51-S53 VanDerWaalsContact O-N 3.14Å; D51-S53 WeakPolarHBondContact OD1-CB 3.44Å; D51-S53 PolarHBondContact OD1-N 3.16Å; D51-S53 PolarHBondContact OD1-OG 3.3Å; D51-S53 PolarHBondContact OD2-OG 3.45Å; S53-K61 WeakPolarHBondContact O-CE 3.49Å; S53-K61 PolarHBondContact O-NZ 3.11Å; S53-G73 WeakPolarHBondContact OG-CA 3.34Å
54	A	57.9	Low	69.1	Low	48 Å²	48	54.8 Å²	54.8	40%	0.397	28%	0.281	S	S	.	.	H	α-helix	trans	-80.3	-19.1	174.8	0	0	0	0	0	112.6	D51	D51-A54 HydrophobicContact CB-CB 3.8Å; D51-A54 WeakPolarHBondContact O-CA 3.07Å; D51-A54 WeakPolarHBondContact O-CB 3.26Å; D51-A54 PolarHBondContact O-N 3.06Å
55	Q	59	Low	67.7	Low	80 Å²	80	63.2 Å²	63.2	37%	0.374	32%	0.317	S	S	.	.	H	α-helix	trans	-77.3	-31	174.1	-67.8	-170.7	-30.8	0	0	112.7	V50 D51 T52 P57 E114	V50-Q55 VanDerWaalsContact CG1-CD 3.48Å; V50-Q55 HydrophobicContact CG1-CG 4.09Å; V50-Q55 VanDerWaalsContact CG1-NE2 3.28Å; D51-Q55 PolarHBondContact O-N 3.22Å; T52-Q55 PolarHBondContact O-N 2.87Å; Q55-P57 WeakPolarHBondContact O-CD 3.43Å; Q55-E114 PolarHBondContact NE2-O 3.24Å
56	I	61.1	Low	66.3	Low	59 Å²	59	64.5 Å²	64.5	30%	0.303	32%	0.319	S	S	.	.	S	Bend	trans	-61.4	120.8	173.9	-57.9	169.8	0	0	0	108.5	E60 K61	I56-E60 HydrophobicContact CG2-CB 3.64Å; I56-K61 HydrophobicContact CB-CG 4.43Å; I56-K61 HydrophobicContact CG2-CG 3.88Å; I56-K61 VanDerWaalsContact O-CE 3.32Å; I56-K61 WeakPolarHBondContact O-CE 3.47Å
57	P	61.9	Low	64.6	Low	15 Å²	15	68.3 Å²	68.3	10%	0.097	34%	0.339	C	S	.	.			trans	-56.5	146.4	176.6	-22.4	32.3	0	0	0	111.8	Q55 Y59 E60 K61 Q664	Q55-P57 WeakPolarHBondContact O-CD 3.43Å; P57-Y59 HydrophobicContact CB-CD1 3.41Å; P57-Y59 VanDerWaalsContact CB-CD1 3.41Å; P57-Y59 HydrophobicContact CB-CE1 3Å; P57-Y59 HydrophobicContact CB-CE2 4.49Å; P57-Y59 HydrophobicContact CB-CG 4.36Å; P57-Y59 HydrophobicContact CG-CE1 3.74Å; P57-Y59 PolarHBondContact O-N 2.86Å; P57-E60 WeakPolarHBondContact CD-OE2 3.47Å; P57-E60 PolarHBondContact O-N 2.84Å; P57-E60 VanDerWaalsContact O-N 3.09Å; P57-K61 PolarHBondContact O-N 3.11Å; P57-Q664 HydrophobicContact CG-CG 3.95Å
58	W	64.6	Low	63	Low	141 Å²	141	71.8 Å²	71.8	53%	0.534	37%	0.365	S	S	.	.	H	α-helix	trans	-57.7	-26	-175.8	67.2	-91.2	0	0	0	113.8	K61 L62 L546	W58-K61 WeakPolarHBondContact O-CB 3.28Å; W58-L62 HydrophobicContact CE3-CD1 3.67Å; W58-L62 HydrophobicContact CE3-CG 4.48Å; W58-L62 HydrophobicContact CZ3-CD1 3.41Å; W58-L62 VanDerWaalsContact CZ3-CD1 3.41Å; W58-L62 PolarHBondContact O-N 3.02Å; W58-L546 HydrophobicContact CH2-CD2 4.29Å; W58-L546 HydrophobicContact CZ2-CD2 4.27Å
59	Y	58.3	Low	61.7	Low	39 Å²	39	80.6 Å²	80.6	15%	0.153	40%	0.398	C	S	.	.	H	α-helix	trans	-81.1	-32	179.4	65.7	-86.3	0	0	0	113.2	P57 K61 L62 S63 P547 T548	P57-Y59 HydrophobicContact CB-CD1 3.41Å; P57-Y59 VanDerWaalsContact CB-CD1 3.41Å; P57-Y59 HydrophobicContact CB-CE1 3Å; P57-Y59 HydrophobicContact CB-CE2 4.49Å; P57-Y59 HydrophobicContact CB-CG 4.36Å; P57-Y59 HydrophobicContact CG-CE1 3.74Å; P57-Y59 PolarHBondContact O-N 2.86Å; Y59-K61 PolarHBondContact O-N 3.4Å; Y59-L62 WeakPolarHBondContact O-CB 3.29Å; Y59-L62 PolarHBondContact O-N 3.21Å; Y59-L62 VanDerWaalsContact O-N 3.07Å; Y59-S63 PolarHBondContact O-N 2.99Å; Y59-P547 HydrophobicContact CD1-CB 4.04Å; Y59-P547 HydrophobicContact CD1-CG 3.04Å; Y59-P547 HydrophobicContact CE1-CB 3.51Å; Y59-P547 HydrophobicContact CE1-CG 2.99Å; Y59-P547 HydrophobicContact CG-CG 3.87Å; Y59-T548 HydrophobicContact CE1-CG2 4.4Å; Y59-T548 HydrophobicContact CE2-CG2 3.8Å; Y59-T548 VanDerWaalsContact OH-CG2 3.31Å; Y59-T548 WeakPolarHBondContact OH-CG2 3.46Å
60	E	62.5	Low	60.1	Low	84 Å²	84	84 Å²	84	39%	0.393	41%	0.413	S	S	.	.	H	α-helix	trans	-65.1	-36	170.9	-80.8	178.2	-166.9	0	0	110.2	I56 P57 L62 S63 E64	I56-E60 HydrophobicContact CG2-CB 3.64Å; P57-E60 WeakPolarHBondContact CD-OE2 3.47Å; P57-E60 PolarHBondContact O-N 2.84Å; P57-E60 VanDerWaalsContact O-N 3.09Å; E60-L62 PolarHBondContact O-N 3.35Å; E60-S63 WeakPolarHBondContact O-CB 3.49Å; E60-S63 PolarHBondContact O-N 2.91Å; E60-S63 PolarHBondContact O-OG 3.43Å; E60-E64 PolarHBondContact O-N 3.4Å
61	K	58.8	Low	58.9	Low	81 Å²	81	86.6 Å²	86.6	35%	0.352	43%	0.429	S	S	.	.	H	α-helix	trans	-60	-32.1	171	-60.5	-178.4	-178.9	178.7	0	112.9	S53 I56 P57 W58 Y59	S53-K61 WeakPolarHBondContact O-CE 3.49Å; S53-K61 PolarHBondContact O-NZ 3.11Å; I56-K61 HydrophobicContact CB-CG 4.43Å; I56-K61 HydrophobicContact CG2-CG 3.88Å; I56-K61 VanDerWaalsContact O-CE 3.32Å; I56-K61 WeakPolarHBondContact O-CE 3.47Å; P57-K61 PolarHBondContact O-N 3.11Å; W58-K61 WeakPolarHBondContact O-CB 3.28Å; Y59-K61 PolarHBondContact O-N 3.4Å
62	L	58.9	Low	57.9	Low	111 Å²	111	93.9 Å²	93.9	58%	0.581	46%	0.459	S	S	*	.	H	α-helix	trans	-73.1	-36.1	173.9	-69.3	171.3	0	0	0	112	W58 Y59 E60 E64 F65	W58-L62 HydrophobicContact CE3-CD1 3.67Å; W58-L62 HydrophobicContact CE3-CG 4.48Å; W58-L62 HydrophobicContact CZ3-CD1 3.41Å; W58-L62 VanDerWaalsContact CZ3-CD1 3.41Å; W58-L62 PolarHBondContact O-N 3.02Å; Y59-L62 WeakPolarHBondContact O-CB 3.29Å; Y59-L62 PolarHBondContact O-N 3.21Å; Y59-L62 VanDerWaalsContact O-N 3.07Å; E60-L62 PolarHBondContact O-N 3.35Å; L62-E64 VanDerWaalsContact C-N 3.27Å; L62-E64 PolarHBondContact O-N 2.78Å; L62-F65 PolarHBondContact O-N 3.01Å; L62-F65 VanDerWaalsContact O-N 3.15Å
63	S	58.1	Low	57.4	Low	86 Å²	86	93.5 Å²	93.5	60%	0.601	46%	0.464	S	S	*	.	H	α-helix	trans	-65.5	-29.2	178.2	74.6	0	0	0	0	113.2	Y59 E60 F65	Y59-S63 PolarHBondContact O-N 2.99Å; E60-S63 WeakPolarHBondContact O-CB 3.49Å; E60-S63 PolarHBondContact O-N 2.91Å; E60-S63 PolarHBondContact O-OG 3.43Å; S63-F65 PolarHBondContact O-N 3.29Å
64	E	60.4	Low	57.6	Low	98 Å²	98	97.4 Å²	97.4	46%	0.458	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-9.5	176.1	-67.2	-164.8	172	0	0	113.5	E60 L62 K66	E60-E64 PolarHBondContact O-N 3.4Å; L62-E64 VanDerWaalsContact C-N 3.27Å; L62-E64 PolarHBondContact O-N 2.78Å; E64-K66 HydrophobicContact CB-CB 4.5Å; E64-K66 HydrophobicContact CB-CD 4.35Å; E64-K66 HydrophobicContact CB-CG 4.17Å; E64-K66 PolarHBondContact O-N 3.17Å; E64-K66 WeakPolarHBondContact OE2-CD 3.33Å; E64-K66 WeakPolarHBondContact OE2-CE 3.36Å; E64-K66 IonicContact OE2-NZ 2.79Å; E64-K66 PolarHBondContact OE2-NZ 3.18Å
65	F	57.7	Low	58.2	Low	190 Å²	190	101.8 Å²	101.8	83%	0.833	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	20.8	-174.7	-80.3	-83.9	0	0	0	114.3	L62 S63	L62-F65 PolarHBondContact O-N 3.01Å; L62-F65 VanDerWaalsContact O-N 3.15Å; S63-F65 PolarHBondContact O-N 3.29Å
66	K	54.1	Low	59	Low	112 Å²	112	103 Å²	103	49%	0.487	50%	0.5	S	S	.	.			trans	-79.4	133.4	177.1	-72.6	-179.5	-168.4	151.2	0	108.9	E64	E64-K66 HydrophobicContact CB-CB 4.5Å; E64-K66 HydrophobicContact CB-CD 4.35Å; E64-K66 HydrophobicContact CB-CG 4.17Å; E64-K66 PolarHBondContact O-N 3.17Å; E64-K66 WeakPolarHBondContact OE2-CD 3.33Å; E64-K66 WeakPolarHBondContact OE2-CE 3.36Å; E64-K66 IonicContact OE2-NZ 2.79Å; E64-K66 PolarHBondContact OE2-NZ 3.18Å
67	L	49.8	Very low	60	Low	80 Å²	80	103.6 Å²	103.6	42%	0.419	51%	0.506	S	S	.	.			trans	-67	142.3	-179.2	-66.5	153.9	0	0	0	109.1	W69 E70	L67-W69 HydrophobicContact CB-CD2 3.83Å; L67-W69 VanDerWaalsContact CB-CE2 3.46Å; L67-W69 HydrophobicContact CB-CE3 4.19Å; L67-W69 HydrophobicContact CB-CG 4.47Å; L67-W69 HydrophobicContact CB-CH2 3.99Å; L67-W69 HydrophobicContact CB-CZ2 3.6Å; L67-W69 HydrophobicContact CB-CZ3 4.24Å; L67-W69 HydrophobicContact CD1-CH2 4.35Å; L67-W69 HydrophobicContact CD1-CZ2 3.58Å; L67-W69 HydrophobicContact CD2-CH2 3.59Å; L67-W69 HydrophobicContact CD2-CZ2 3.7Å; L67-W69 HydrophobicContact CD2-CZ3 4.28Å; L67-W69 HydrophobicContact CG-CH2 4.16Å; L67-W69 HydrophobicContact CG-CZ2 3.79Å; L67-W69 PolarHBondContact O-N 3.22Å; L67-E70 PolarHBondContact O-N 3.48Å
68	P	53.7	Low	60.9	Low	110 Å²	110	103.8 Å²	103.8	71%	0.714	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-22.2	-172.3	-26.6	32.2	0	0	0	115.3
69	W	58.4	Low	62	Low	191 Å²	191	97.2 Å²	97.2	72%	0.723	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-9.9	-180	54.4	83.6	0	0	0	114.9	L67	L67-W69 HydrophobicContact CB-CD2 3.83Å; L67-W69 VanDerWaalsContact CB-CE2 3.46Å; L67-W69 HydrophobicContact CB-CE3 4.19Å; L67-W69 HydrophobicContact CB-CG 4.47Å; L67-W69 HydrophobicContact CB-CH2 3.99Å; L67-W69 HydrophobicContact CB-CZ2 3.6Å; L67-W69 HydrophobicContact CB-CZ3 4.24Å; L67-W69 HydrophobicContact CD1-CH2 4.35Å; L67-W69 HydrophobicContact CD1-CZ2 3.58Å; L67-W69 HydrophobicContact CD2-CH2 3.59Å; L67-W69 HydrophobicContact CD2-CZ2 3.7Å; L67-W69 HydrophobicContact CD2-CZ3 4.28Å; L67-W69 HydrophobicContact CG-CH2 4.16Å; L67-W69 HydrophobicContact CG-CZ2 3.79Å; L67-W69 PolarHBondContact O-N 3.22Å
70	E	50	Low	63.3	Low	121 Å²	121	98.6 Å²	98.6	57%	0.565	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-15.7	175.7	-70.9	-178.5	159.5	0	0	112.8	L67 K72	L67-E70 PolarHBondContact O-N 3.48Å; E70-K72 PolarHBondContact O-N 3.38Å
71	V	52.8	Low	64.3	Low	66 Å²	66	97.8 Å²	97.8	40%	0.4	49%	0.493	S	S	.	.			trans	-79.7	87.5	178.7	-172.5	0	0	0	0	109.4	G73	V71-G73 PolarHBondContact O-N 2.89Å
72	K	51.6	Low	65.7	Low	197 Å²	197	94 Å²	94	86%	0.857	48%	0.476	S	S	*	.			trans	-70.1	109	163.2	-74.3	-177.6	177.9	177.5	0	108.1	E70 N74	E70-K72 PolarHBondContact O-N 3.38Å; K72-N74 PolarHBondContact O-N 3.15Å
73	G	56.1	Low	67.1	Low	38 Å²	38	89.7 Å²	89.7	39%	0.392	46%	0.455	S	S	.	.			trans	-57.8	119.4	173.9	0	0	0	0	0	110.3	S53 V71 K75	S53-G73 WeakPolarHBondContact OG-CA 3.34Å; V71-G73 PolarHBondContact O-N 2.89Å; G73-K75 PolarHBondContact O-N 2.96Å
74	N	64.2	Low	68.5	Low	99 Å²	99	85.6 Å²	85.6	53%	0.529	43%	0.427	S	S	.	.			trans	-86.5	92.6	174.7	-162.4	11.9	0	0	0	108	T52 K72 Q76	T52-N74 PolarHBondContact OG1-O 3.02Å; K72-N74 PolarHBondContact O-N 3.15Å; N74-Q76 PolarHBondContact O-N 3.49Å
75	K	70.3	Confident	69.9	Low	140 Å²	140	83.8 Å²	83.8	61%	0.609	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	113.6	174.2	-65.9	-175.9	-180	-176.9	0	108.2	G73	G73-K75 PolarHBondContact O-N 2.96Å
76	Q	76	Confident	71.5	Confident	105 Å²	105	74.8 Å²	74.8	49%	0.491	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.6	173.6	-70.9	-175.2	-9.2	0	0	108.7	V50 T52 N74 A78	V50-Q76 PolarHBondContact N-O 2.88Å; V50-Q76 PolarHBondContact O-N 3.29Å; T52-Q76 HydrophobicContact CG2-CG 4.47Å; N74-Q76 PolarHBondContact O-N 3.49Å; Q76-A78 PolarHBondContact O-N 3.15Å
77	T	80.9	Confident	73.2	Confident	71 Å²	71	74.8 Å²	74.8	44%	0.436	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	114.9	170.9	-54.2	0	0	0	0	108.6	H47 I79 N80	H47-T77 WeakPolarHBondContact CE1-CG2 2.97Å; T77-I79 WeakPolarHBondContact CG2-O 3.28Å; T77-N80 HydrophobicContact CG2-CB 4.09Å
78	A	82.3	Confident	75.1	Confident	20 Å²	20	71.7 Å²	71.7	17%	0.165	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-29.8	179.4	0	0	0	0	0	112.2	Y48 V50 Q76 G280	Y48-A78 HydrophobicContact CD1-CB 3.94Å; Y48-A78 PolarHBondContact O-N 2.69Å; V50-A78 HydrophobicContact CB-CB 4.37Å; V50-A78 HydrophobicContact CG2-CB 3.59Å; Q76-A78 PolarHBondContact O-N 3.15Å; A78-G280 WeakPolarHBondContact O-CA 3.31Å
79	I	86.2	Confident	76.7	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.015	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.2	173.6	-54.4	-174.9	0	0	0	109.2	L46 H47 Y48 T77 L82 L105 I108 G280	L46-I79 HydrophobicContact CD2-CD1 4.17Å; L46-I79 HydrophobicContact CD2-CG2 4.3Å; L46-I79 HydrophobicContact CG-CG2 4.3Å; H47-I79 WeakPolarHBondContact CA-O 3.4Å; H47-I79 PolarHBondContact ND1-O 3.39Å; Y48-I79 PolarHBondContact N-O 3.46Å; Y48-I79 PolarHBondContact O-N 3Å; T77-I79 WeakPolarHBondContact CG2-O 3.28Å; I79-L82 HydrophobicContact CG2-CB 3.69Å; I79-L82 HydrophobicContact CG2-CD2 4.15Å; I79-L105 HydrophobicContact CD1-CB 3.76Å; I79-L105 HydrophobicContact CD1-CD1 4.02Å; I79-L105 HydrophobicContact CD1-CG 4.49Å; I79-I108 HydrophobicContact CD1-CD1 3.45Å; I79-I108 VanDerWaalsContact CD1-CD1 3.45Å; I79-I108 HydrophobicContact CG1-CD1 4.36Å; I79-G280 CarbonylContact C-O 3.45Å; I79-G280 WeakPolarHBondContact CA-O 3.45Å; I79-G280 WeakPolarHBondContact CG2-O 3.33Å
80	N	86.7	Confident	78.2	Confident	68 Å²	68	61.8 Å²	61.8	36%	0.364	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	106.8	-176.9	-174.7	7.2	0	0	0	112	T77 G280	T77-N80 HydrophobicContact CG2-CB 4.09Å; N80-G280 PolarHBondContact N-O 3.44Å
81	N	83.9	Confident	80.3	Confident	66 Å²	66	56 Å²	56	35%	0.353	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	52	58.4	171.5	-159.3	14	0	0	0	113.1	N45 L46	N45-N81 WeakPolarHBondContact CA-OD1 3.28Å; N45-N81 PolarHBondContact OD1-OD1 3.36Å; L46-N81 WeakPolarHBondContact O-CA 3.29Å; L46-N81 PolarHBondContact O-N 3.32Å
82	L	86.7	Confident	82.3	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.01	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	130.6	178.2	179.3	70.5	0	0	0	110.7	N45 L46 I79 L84 L105 L277 A282	N45-L82 PolarHBondContact N-O 3.18Å; L46-L82 HydrophobicContact CB-CB 4.32Å; L46-L82 WeakPolarHBondContact CB-O 3.25Å; L46-L82 PolarHBondContact N-O 3.47Å; L46-L82 PolarHBondContact O-N 2.84Å; L46-L82 VanDerWaalsContact O-N 3.15Å; I79-L82 HydrophobicContact CG2-CB 3.69Å; I79-L82 HydrophobicContact CG2-CD2 4.15Å; L82-L84 HydrophobicContact CD2-CD2 4.16Å; L82-L84 HydrophobicContact CG-CD2 4.49Å; L82-L105 HydrophobicContact CD2-CD1 3.43Å; L82-L105 VanDerWaalsContact CD2-CD1 3.43Å; L82-L105 HydrophobicContact CD2-CD2 3.65Å; L82-L105 HydrophobicContact CD2-CG 4.15Å; L82-L277 HydrophobicContact CD1-CD2 3.95Å; L82-A282 HydrophobicContact CD1-CB 3.49Å; L82-A282 VanDerWaalsContact CD1-CB 3.49Å
83	S	88.3	Confident	84.4	Confident	20 Å²	20	43.5 Å²	43.5	14%	0.14	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	131.5	171	-59.7	0	0	0	0	110.2	V43 N45	V43-S83 CarbonylContact O-C 3.53Å; V43-S83 WeakPolarHBondContact O-CA 3.38Å; N45-S83 PolarHBondContact N-OG 2.59Å; N45-S83 PolarHBondContact OD1-OG 2.89Å
84	L	88.9	Confident	86.2	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	152.5	177.9	58.2	77.5	0	0	0	111.1	E42 V43 L82 V86 L105 F285	E42-L84 WeakPolarHBondContact CA-O 3.27Å; V43-L84 HydrophobicContact CB-CD1 3.76Å; V43-L84 HydrophobicContact CB-CG 3.8Å; V43-L84 HydrophobicContact CG2-CD1 3.45Å; V43-L84 VanDerWaalsContact CG2-CD1 3.45Å; V43-L84 HydrophobicContact CG2-CG 3.95Å; V43-L84 PolarHBondContact N-O 3.3Å; V43-L84 PolarHBondContact O-N 3.45Å; L82-L84 HydrophobicContact CD2-CD2 4.16Å; L82-L84 HydrophobicContact CG-CD2 4.49Å; L84-V86 HydrophobicContact CD1-CG2 4.41Å; L84-L105 HydrophobicContact CD2-CD2 4.19Å; L84-F285 HydrophobicContact CB-CD1 4.42Å; L84-F285 HydrophobicContact CB-CE1 4.16Å; L84-F285 HydrophobicContact CB-CZ 4.22Å
85	R	90	Very high	87.6	Confident	61 Å²	61	37 Å²	37	23%	0.23	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	121.9	179.1	-171.2	178.4	-178	164.7	10.1	110.2	E40 L41 R87 F285 D349	E40-R85 IonicContact OE1-CZ 2.68Å; E40-R85 IonicContact OE1-NE 3.12Å; E40-R85 PolarHBondContact OE1-NE 2.94Å; E40-R85 IonicContact OE1-NH2 2.65Å; E40-R85 PolarHBondContact OE1-NH2 3.33Å; E40-R85 IonicContact OE2-NH2 2.66Å; E40-R85 PolarHBondContact OE2-NH2 3.12Å; L41-R85 WeakPolarHBondContact O-CA 3.44Å; R85-R87 VanDerWaalsContact CZ-NH2 3.35Å; R85-F285 WeakPolarHBondContact O-CZ 3.46Å; R85-D349 IonicContact CZ-OD1 3.88Å; R85-D349 IonicContact NE-OD1 3.7Å; R85-D349 IonicContact NH1-OD1 2.87Å; R85-D349 PolarHBondContact NH1-OD1 3.36Å
86	V	90.6	Very high	88.5	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	137.4	-176.6	-169.4	0	0	0	0	109.7	E40 L41 L84 Q90 L92 L255 L273	E40-V86 WeakPolarHBondContact CA-O 3.35Å; L41-V86 PolarHBondContact N-O 3.25Å; L41-V86 PolarHBondContact O-N 3.45Å; L84-V86 HydrophobicContact CD1-CG2 4.41Å; V86-Q90 HydrophobicContact CG1-CB 4.35Å; V86-L92 HydrophobicContact CG1-CB 4.25Å; V86-L92 HydrophobicContact CG2-CB 4.19Å; V86-L92 HydrophobicContact CG2-CD2 3.48Å; V86-L92 VanDerWaalsContact CG2-CD2 3.48Å; V86-L92 HydrophobicContact CG2-CG 4.37Å; V86-L255 HydrophobicContact CB-CD1 4Å; V86-L255 HydrophobicContact CB-CD2 4.43Å; V86-L255 HydrophobicContact CB-CG 4.32Å; V86-L255 HydrophobicContact CG1-CD1 3.93Å; V86-L255 HydrophobicContact CG1-CD2 3.99Å; V86-L255 HydrophobicContact CG1-CG 3.74Å; V86-L255 VanDerWaalsContact O-CD1 3.31Å; V86-L255 WeakPolarHBondContact O-CD1 3.49Å; V86-L273 HydrophobicContact CG1-CD1 4.45Å
87	R	90.8	Very high	88.9	Confident	112 Å²	112	26.4 Å²	26.4	42%	0.423	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	157.5	179.6	-59.8	-176.3	-175.9	153	14.9	111.4	N39 E40 R85 Q90 D349	N39-R87 CarbonylContact O-C 3.58Å; N39-R87 WeakPolarHBondContact O-CA 2.92Å; E40-R87 HydrophobicContact CG-CG 4.35Å; E40-R87 IonicContact OE1-CZ 2.8Å; E40-R87 IonicContact OE1-NE 3.74Å; E40-R87 PolarHBondContact OE1-NE 2.84Å; E40-R87 IonicContact OE1-NH2 3.64Å; R85-R87 VanDerWaalsContact CZ-NH2 3.35Å; R87-Q90 WeakPolarHBondContact O-CB 3.27Å; R87-Q90 PolarHBondContact O-N 2.86Å; R87-D349 IonicContact NH2-OD1 3.92Å; R87-D349 PolarHBondContact NH2-OD1 3.08Å
88	S	88.9	Confident	89.1	Confident	15 Å²	15	27.3 Å²	27.3	11%	0.105	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	143	169.9	-89	0	0	0	0	111.7	N39 Q90 N253	N39-S88 PolarHBondContact N-OG 3.13Å; N39-S88 PolarHBondContact O-N 3.26Å; S88-Q90 VanDerWaalsContact C-N 3.33Å; S88-N253 WeakPolarHBondContact CB-O 3.39Å; S88-N253 VanDerWaalsContact CB-OD1 3.29Å; S88-N253 WeakPolarHBondContact CB-OD1 3.38Å; S88-N253 PolarHBondContact OG-O 3.13Å; S88-N253 VanDerWaalsContact OG-O 3.05Å
89	G	87.4	Confident	88.9	Confident	31 Å²	31	30.2 Å²	30.2	32%	0.32	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.8	-12.8	-175.4	0	0	0	0	0	113.8	A250 R254	G89-A250 VanDerWaalsContact CA-O 3.31Å; G89-A250 WeakPolarHBondContact CA-O 3.33Å; G89-R254 PolarHBondContact N-O 3.49Å
90	Q	90.6	Very high	88.7	Confident	62 Å²	62	30.2 Å²	30.2	29%	0.29	19%	0.185	S	C	.	.			trans	-107.5	141.4	-177.8	-56.8	177.6	-45.4	0	0	111.6	V86 R87 S88 I256 L273	V86-Q90 HydrophobicContact CG1-CB 4.35Å; R87-Q90 WeakPolarHBondContact O-CB 3.27Å; R87-Q90 PolarHBondContact O-N 2.86Å; S88-Q90 VanDerWaalsContact C-N 3.33Å; Q90-I256 PolarHBondContact O-N 3.37Å; Q90-L273 HydrophobicContact CB-CD1 4.3Å
91	M	94.2	Very high	88.5	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	113.7	169.1	-176.2	167.7	57.4	0	0	110.5	V243 L246 A250 I256 L258 L270 F271 D272 L273	M91-V243 HydrophobicContact CE-CG1 4.13Å; M91-V243 HydrophobicContact SD-CG1 4.42Å; M91-L246 HydrophobicContact SD-CB 4.08Å; M91-A250 HydrophobicContact CB-CB 4.21Å; M91-I256 WeakPolarHBondContact CA-O 3.4Å; M91-I256 HydrophobicContact CG-CB 4.29Å; M91-I256 HydrophobicContact CG-CG2 4.2Å; M91-L258 HydrophobicContact CG-CD2 3.43Å; M91-L258 VanDerWaalsContact CG-CD2 3.43Å; M91-L258 HydrophobicContact SD-CD2 3.8Å; M91-L270 HydrophobicContact CE-CB 4.27Å; M91-L270 WeakPolarHBondContact CE-O 3.3Å; M91-F271 HydrophobicContact CE-CD1 3.81Å; M91-F271 HydrophobicContact CE-CE1 4.3Å; M91-F271 HydrophobicContact CG-CD1 4.33Å; M91-F271 HydrophobicContact SD-CD1 4.31Å; M91-F271 HydrophobicContact SD-CE1 4.49Å; M91-D272 PolarHBondContact N-OD2 3.44Å; M91-D272 PolarHBondContact O-N 3.17Å; M91-L273 PolarHBondContact O-N 2.87Å; M91-L273 VanDerWaalsContact O-N 3.07Å
92	L	94.9	Very high	88.8	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	123.7	175.8	170.9	61.7	0	0	0	111.2	V86 V94 I256 L257 L258 L273 V275 F285	V86-L92 HydrophobicContact CG1-CB 4.25Å; V86-L92 HydrophobicContact CG2-CB 4.19Å; V86-L92 HydrophobicContact CG2-CD2 3.48Å; V86-L92 VanDerWaalsContact CG2-CD2 3.48Å; V86-L92 HydrophobicContact CG2-CG 4.37Å; L92-V94 HydrophobicContact CD2-CG2 4.49Å; L92-I256 PolarHBondContact N-O 2.83Å; L92-L257 HydrophobicContact CD2-CD1 4.3Å; L92-L257 HydrophobicContact CD2-CG 4.12Å; L92-L257 HydrophobicContact CG-CG 4.43Å; L92-L257 WeakPolarHBondContact O-CA 3.18Å; L92-L258 WeakPolarHBondContact O-CD2 3.4Å; L92-L258 PolarHBondContact O-N 3.04Å; L92-L273 WeakPolarHBondContact CA-O 3.11Å; L92-L273 HydrophobicContact CB-CB 4.32Å; L92-L273 HydrophobicContact CD1-CB 3.77Å; L92-V275 HydrophobicContact CD1-CB 4.28Å; L92-V275 HydrophobicContact CD1-CG2 3.66Å; L92-V275 HydrophobicContact CD2-CG2 4.17Å; L92-F285 HydrophobicContact CD1-CE2 4.17Å
93	A	95.1	Very high	88.8	Confident	0 Å²	0	27 Å²	27	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	123.5	168.8	0	0	0	0	0	112	I95 L258 F271 L273 V274 V275	A93-I95 HydrophobicContact CB-CD1 4.43Å; A93-I95 HydrophobicContact CB-CG1 4.23Å; A93-L258 CarbonylContact C-O 3.38Å; A93-L258 WeakPolarHBondContact CA-O 3.35Å; A93-L258 HydrophobicContact CB-CG 4.43Å; A93-F271 HydrophobicContact CB-CB 4.3Å; A93-F271 HydrophobicContact CB-CD1 3.64Å; A93-F271 HydrophobicContact CB-CD2 3.71Å; A93-F271 HydrophobicContact CB-CE1 3.85Å; A93-F271 HydrophobicContact CB-CE2 3.87Å; A93-F271 HydrophobicContact CB-CG 3.61Å; A93-F271 HydrophobicContact CB-CZ 3.95Å; A93-L273 PolarHBondContact N-O 3.41Å; A93-V274 CarbonylContact O-C 3.58Å; A93-V274 WeakPolarHBondContact O-CA 3.38Å; A93-V275 PolarHBondContact O-N 2.85Å
94	V	94.3	Very high	88.7	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	107.7	170.7	-177	0	0	0	0	108.3	L92 K102 L105 L257 L258 S259 V260 L277	L92-V94 HydrophobicContact CD2-CG2 4.49Å; V94-K102 HydrophobicContact CG1-CB 4.4Å; V94-K102 HydrophobicContact CG1-CG 4.14Å; V94-L105 HydrophobicContact CG1-CD2 4.38Å; V94-L105 HydrophobicContact CG2-CD2 4.42Å; V94-L257 HydrophobicContact CG2-CD2 3.75Å; V94-L257 HydrophobicContact CG2-CG 4.48Å; V94-L258 PolarHBondContact N-O 3.43Å; V94-S259 WeakPolarHBondContact O-CA 3.35Å; V94-V260 PolarHBondContact O-N 3.45Å; V94-L277 HydrophobicContact CG1-CD1 3.45Å; V94-L277 VanDerWaalsContact CG1-CD1 3.45Å; V94-L277 HydrophobicContact CG1-CG 4.05Å
95	I	92.9	Very high	88.7	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	140.4	-176.1	-55.7	-179.9	0	0	0	109	A93 P263 F268 V274 V275 L276 L277 V313	A93-I95 HydrophobicContact CB-CD1 4.43Å; A93-I95 HydrophobicContact CB-CG1 4.23Å; I95-P263 HydrophobicContact CD1-CG 3.93Å; I95-F268 HydrophobicContact CD1-CD2 4.4Å; I95-F268 HydrophobicContact CD1-CE2 4.45Å; I95-V274 HydrophobicContact CD1-CG1 3.79Å; I95-V274 HydrophobicContact CG1-CG1 4.24Å; I95-V275 PolarHBondContact N-O 2.99Å; I95-L276 HydrophobicContact CB-CD1 4.13Å; I95-L276 HydrophobicContact CG2-CD1 4.02Å; I95-L276 CarbonylContact O-C 3.56Å; I95-L276 WeakPolarHBondContact O-CA 3.42Å; I95-L277 PolarHBondContact O-N 2.89Å; I95-V313 HydrophobicContact CG2-CG2 3.35Å
96	G	88.8	Confident	88.8	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.3	168.6	174.5	0	0	0	0	0	112.8	K102 L277	G96-K102 PolarHBondContact O-NZ 2.97Å; G96-L277 WeakPolarHBondContact CA-O 3.08Å
97	S	84.9	Confident	88.5	Confident	22 Å²	22	25.1 Å²	25.1	15%	0.154	17%	0.166	C	C	.	.			trans	-63.5	161.5	179.4	58.1	0	0	0	0	112.7	G99 C100 K102	S97-G99 PolarHBondContact O-N 3.29Å; S97-C100 WeakPolarHBondContact O-CB 3.32Å; S97-C100 PolarHBondContact O-N 3.42Å; S97-C100 PolarHBondContact O-SG 3.45Å; S97-K102 PolarHBondContact O-NZ 2.97Å
98	S	84.2	Confident	88.4	Confident	90 Å²	90	20.5 Å²	20.5	63%	0.629	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.6	131.5	172.4	-76.4	0	0	0	0	111	H261	S98-H261 PolarHBondContact OG-CD2 3.17Å; S98-H261 PolarHBondContact OG-NE2 2.91Å
99	G	78.1	Confident	88.3	Confident	82 Å²	82	19.8 Å²	19.8	85%	0.845	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.5	8.4	-179	0	0	0	0	0	116.2	S97 G101	S97-G99 PolarHBondContact O-N 3.29Å; G99-G101 VanDerWaalsContact C-N 3.26Å; G99-G101 PolarHBondContact O-N 3.4Å
100	C	82.1	Confident	88.3	Confident	2 Å²	2	18.7 Å²	18.7	1%	0.014	13%	0.132	C	C	.	.	S	Bend	trans	-80.4	4	178.7	74.3	0	0	0	0	115.5	S97 K102 L277 G280	S97-C100 WeakPolarHBondContact O-CB 3.32Å; S97-C100 PolarHBondContact O-N 3.42Å; S97-C100 PolarHBondContact O-SG 3.45Å; C100-K102 WeakPolarHBondContact SG-CG 3.42Å; C100-L277 HydrophobicContact CB-CB 4.48Å; C100-L277 PolarHBondContact SG-O 2.92Å; C100-L277 VanDerWaalsContact SG-O 3.38Å; C100-G280 WeakPolarHBondContact O-CA 3.38Å; C100-G280 PolarHBondContact O-N 2.95Å
101	G	83.8	Confident	88	Confident	8 Å²	8	17.3 Å²	17.3	8%	0.082	13%	0.129	C	C	.	.	S	Bend	trans	95.9	14.5	178.2	0	0	0	0	0	115.9	G99 S104 L105	G99-G101 VanDerWaalsContact C-N 3.26Å; G99-G101 PolarHBondContact O-N 3.4Å; G101-S104 PolarHBondContact O-N 3.42Å; G101-L105 WeakPolarHBondContact O-CB 3.38Å; G101-L105 PolarHBondContact O-N 3.35Å
102	K	89	Confident	87.2	Confident	9 Å²	9	18.9 Å²	18.9	4%	0.039	14%	0.135	C	C	.	.	H	α-helix	trans	-57.2	-60.4	179.3	-57.4	-173.6	-67.4	-79.6	0	112.6	V94 G96 S97 C100 S104 L105 L106 L277	V94-K102 HydrophobicContact CG1-CB 4.4Å; V94-K102 HydrophobicContact CG1-CG 4.14Å; G96-K102 PolarHBondContact O-NZ 2.97Å; S97-K102 PolarHBondContact O-NZ 2.97Å; C100-K102 WeakPolarHBondContact SG-CG 3.42Å; K102-S104 VanDerWaalsContact C-N 3.29Å; K102-S104 PolarHBondContact O-N 3.42Å; K102-L105 WeakPolarHBondContact O-CB 3.43Å; K102-L105 PolarHBondContact O-N 3.3Å; K102-L105 VanDerWaalsContact O-N 3.1Å; K102-L106 WeakPolarHBondContact O-CG 2.99Å; K102-L106 PolarHBondContact O-N 3.29Å; K102-L106 VanDerWaalsContact O-N 3.16Å; K102-L277 HydrophobicContact CG-CD1 4.48Å
103	T	86.6	Confident	85.7	Confident	51 Å²	51	25.1 Å²	25.1	31%	0.313	17%	0.168	S	C	.	.	H	α-helix	trans	-60.2	-42.3	179.1	-52.8	0	0	0	0	110.6	L105 L106 D107 D228	T103-L105 VanDerWaalsContact C-N 3.3Å; T103-L105 PolarHBondContact O-N 2.96Å; T103-L106 WeakPolarHBondContact O-CB 3.27Å; T103-L106 PolarHBondContact O-N 3.41Å; T103-D107 VanDerWaalsContact O-CG 3.3Å; T103-D107 PolarHBondContact O-N 3.05Å; T103-D228 VanDerWaalsContact CG2-OD2 3.31Å; T103-D228 WeakPolarHBondContact CG2-OD2 3.29Å; T103-D228 PolarHBondContact OG1-OD2 2.87Å
104	S	87.1	Confident	84.2	Confident	31 Å²	31	28.9 Å²	28.9	22%	0.217	19%	0.186	C	C	.	.	H	α-helix	trans	-58.1	-38.4	174.9	-51.2	0	0	0	0	113.2	G101 K102 D107 I108	G101-S104 PolarHBondContact O-N 3.42Å; K102-S104 VanDerWaalsContact C-N 3.29Å; K102-S104 PolarHBondContact O-N 3.42Å; S104-D107 PolarHBondContact O-N 2.98Å; S104-I108 WeakPolarHBondContact O-CD1 3.31Å; S104-I108 WeakPolarHBondContact O-CG1 3.29Å; S104-I108 PolarHBondContact O-N 3.07Å
105	L	89.4	Confident	82.5	Confident	0 Å²	0	30 Å²	30	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.4	-45	174.6	177.2	59.7	0	0	0	111.3	L46 I79 L82 L84 V94 G101 K102 T103 D107 I108 I109 L277	L46-L105 HydrophobicContact CD2-CD1 3.81Å; I79-L105 HydrophobicContact CD1-CB 3.76Å; I79-L105 HydrophobicContact CD1-CD1 4.02Å; I79-L105 HydrophobicContact CD1-CG 4.49Å; L82-L105 HydrophobicContact CD2-CD1 3.43Å; L82-L105 VanDerWaalsContact CD2-CD1 3.43Å; L82-L105 HydrophobicContact CD2-CD2 3.65Å; L82-L105 HydrophobicContact CD2-CG 4.15Å; L84-L105 HydrophobicContact CD2-CD2 4.19Å; V94-L105 HydrophobicContact CG1-CD2 4.38Å; V94-L105 HydrophobicContact CG2-CD2 4.42Å; G101-L105 WeakPolarHBondContact O-CB 3.38Å; G101-L105 PolarHBondContact O-N 3.35Å; K102-L105 WeakPolarHBondContact O-CB 3.43Å; K102-L105 PolarHBondContact O-N 3.3Å; K102-L105 VanDerWaalsContact O-N 3.1Å; T103-L105 VanDerWaalsContact C-N 3.3Å; T103-L105 PolarHBondContact O-N 2.96Å; L105-D107 VanDerWaalsContact C-N 3.31Å; L105-D107 PolarHBondContact O-N 2.99Å; L105-I108 PolarHBondContact O-N 3.08Å; L105-I109 HydrophobicContact CD1-CD1 4Å; L105-I109 HydrophobicContact CD1-CG1 4.39Å; L105-I109 HydrophobicContact CG-CD1 3.97Å; L105-I109 WeakPolarHBondContact O-CD1 3.48Å; L105-I109 VanDerWaalsContact O-CG1 3.26Å; L105-I109 WeakPolarHBondContact O-CG1 3.26Å; L105-I109 PolarHBondContact O-N 3.5Å; L105-L277 HydrophobicContact CD2-CD1 4.02Å
106	L	90.1	Very high	81.4	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-63.3	-39.5	177.4	-55.3	-169.2	0	0	0	111.5	K102 T103 I109 T110 I226 D228 L257	K102-L106 WeakPolarHBondContact O-CG 2.99Å; K102-L106 PolarHBondContact O-N 3.29Å; K102-L106 VanDerWaalsContact O-N 3.16Å; T103-L106 WeakPolarHBondContact O-CB 3.27Å; T103-L106 PolarHBondContact O-N 3.41Å; L106-I109 PolarHBondContact O-N 3.03Å; L106-T110 WeakPolarHBondContact O-CB 3.43Å; L106-T110 WeakPolarHBondContact O-CG2 3.31Å; L106-T110 PolarHBondContact O-N 3.42Å; L106-T110 PolarHBondContact O-OG1 2.86Å; L106-I226 HydrophobicContact CB-CG2 4.17Å; L106-I226 HydrophobicContact CD1-CG2 4.04Å; L106-I226 HydrophobicContact CD2-CG2 3.86Å; L106-I226 HydrophobicContact CG-CG2 4.24Å; L106-D228 HydrophobicContact CD1-CB 3.75Å; L106-L257 HydrophobicContact CD2-CD1 4.47Å; L106-L257 HydrophobicContact CD2-CD2 3.21Å; L106-L257 HydrophobicContact CD2-CG 4.45Å
107	D	85.7	Confident	80.9	Confident	11 Å²	11	40 Å²	40	6%	0.059	24%	0.239	C	C	.	.	H	α-helix	trans	-66.9	-41.3	178.9	-69.8	-28.5	0	0	0	111.9	T103 S104 L105 T110 C111 R112	T103-D107 VanDerWaalsContact O-CG 3.3Å; T103-D107 PolarHBondContact O-N 3.05Å; S104-D107 PolarHBondContact O-N 2.98Å; L105-D107 VanDerWaalsContact C-N 3.31Å; L105-D107 PolarHBondContact O-N 2.99Å; D107-T110 WeakPolarHBondContact CA-OG1 3.47Å; D107-T110 CarbonylContact O-C 3.48Å; D107-T110 PolarHBondContact O-N 2.85Å; D107-T110 PolarHBondContact O-OG1 3.25Å; D107-C111 PolarHBondContact O-N 2.89Å; D107-R112 HydrophobicContact CB-CB 4.24Å; D107-R112 PolarHBondContact O-N 3.36Å
108	I	87.9	Confident	80.6	Confident	15 Å²	15	42.2 Å²	42.2	8%	0.077	25%	0.248	C	C	.	.	H	α-helix	trans	-62.3	-45.6	174.4	-66.1	156.5	0	0	0	110.7	L46 Y48 I79 S104 L105 T110 C111 V123 N130	L46-I108 HydrophobicContact CD1-CG2 3.94Å; L46-I108 HydrophobicContact CD2-CD1 4.1Å; L46-I108 HydrophobicContact CD2-CG2 4.05Å; Y48-I108 HydrophobicContact CD1-CD1 3.55Å; Y48-I108 HydrophobicContact CD1-CG1 4.17Å; Y48-I108 HydrophobicContact CD2-CD1 3.68Å; Y48-I108 HydrophobicContact CD2-CG1 3.76Å; Y48-I108 HydrophobicContact CE1-CD1 4.06Å; Y48-I108 HydrophobicContact CE1-CG1 4.23Å; Y48-I108 HydrophobicContact CE2-CD1 4.19Å; Y48-I108 HydrophobicContact CE2-CG1 3.84Å; Y48-I108 HydrophobicContact CG-CD1 3.33Å; Y48-I108 HydrophobicContact CG-CG1 3.94Å; I79-I108 HydrophobicContact CD1-CD1 3.45Å; I79-I108 VanDerWaalsContact CD1-CD1 3.45Å; I79-I108 HydrophobicContact CG1-CD1 4.36Å; S104-I108 WeakPolarHBondContact O-CD1 3.31Å; S104-I108 WeakPolarHBondContact O-CG1 3.29Å; S104-I108 PolarHBondContact O-N 3.07Å; L105-I108 PolarHBondContact O-N 3.08Å; I108-T110 PolarHBondContact O-N 3.43Å; I108-C111 PolarHBondContact O-N 2.97Å; I108-C111 VanDerWaalsContact O-N 3.13Å; I108-V123 HydrophobicContact CG2-CG2 4.29Å; I108-N130 PolarHBondContact O-ND2 3.47Å
109	I	88	Confident	80.3	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-61.9	-34.7	177.5	-66.4	163.9	0	0	0	110.4	L41 V43 L105 L106 N130 I139 I226 L257	L41-I109 HydrophobicContact CD1-CG2 4.04Å; L41-I109 HydrophobicContact CD2-CD1 4.24Å; L41-I109 HydrophobicContact CD2-CG2 3.99Å; V43-I109 HydrophobicContact CG2-CG1 4.41Å; L105-I109 HydrophobicContact CD1-CD1 4Å; L105-I109 HydrophobicContact CD1-CG1 4.39Å; L105-I109 HydrophobicContact CG-CD1 3.97Å; L105-I109 WeakPolarHBondContact O-CD1 3.48Å; L105-I109 VanDerWaalsContact O-CG1 3.26Å; L105-I109 WeakPolarHBondContact O-CG1 3.26Å; L105-I109 PolarHBondContact O-N 3.5Å; L106-I109 PolarHBondContact O-N 3.03Å; I109-N130 PolarHBondContact O-ND2 3.4Å; I109-I139 HydrophobicContact CG2-CD1 4.24Å; I109-I226 HydrophobicContact CB-CD1 4.31Å; I109-I226 HydrophobicContact CG2-CD1 3.52Å; I109-L257 HydrophobicContact CD1-CD1 3.86Å
110	T	86.8	Confident	80.5	Confident	8 Å²	8	40 Å²	40	5%	0.049	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	7.1	178.4	58.6	0	0	0	0	114.7	L106 D107 I108 R112 V135 I139 H141 I226	L106-T110 WeakPolarHBondContact O-CB 3.43Å; L106-T110 WeakPolarHBondContact O-CG2 3.31Å; L106-T110 PolarHBondContact O-N 3.42Å; L106-T110 PolarHBondContact O-OG1 2.86Å; D107-T110 WeakPolarHBondContact CA-OG1 3.47Å; D107-T110 CarbonylContact O-C 3.48Å; D107-T110 PolarHBondContact O-N 2.85Å; D107-T110 PolarHBondContact O-OG1 3.25Å; I108-T110 PolarHBondContact O-N 3.43Å; T110-R112 PolarHBondContact O-N 3.23Å; T110-V135 WeakPolarHBondContact O-CG1 3.41Å; T110-I139 HydrophobicContact CG2-CG2 4.19Å; T110-H141 HydrophobicContact CG2-CB 4Å; T110-I226 HydrophobicContact CG2-CD1 3.81Å
111	C	84.1	Confident	80.6	Confident	33 Å²	33	41 Å²	41	22%	0.223	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	38.6	-174.9	-64.9	0	0	0	0	113.8	D107 I108 N130 P132 V135	D107-C111 PolarHBondContact O-N 2.89Å; I108-C111 PolarHBondContact O-N 2.97Å; I108-C111 VanDerWaalsContact O-N 3.13Å; C111-N130 PolarHBondContact SG-ND2 3.28Å; C111-N130 PolarHBondContact SG-OD1 2.95Å; C111-P132 HydrophobicContact CB-CB 4.29Å; C111-P132 HydrophobicContact CB-CG 3.98Å; C111-V135 HydrophobicContact CB-CG2 4.23Å
112	R	77.3	Confident	80.7	Confident	34 Å²	34	46 Å²	46	13%	0.128	25%	0.249	C	C	.	.			trans	-98.5	99.8	174.6	-67.3	-176.5	178.7	170.8	3.5	108.9	D107 T110 E114 H141 R143 D477	D107-R112 HydrophobicContact CB-CB 4.24Å; D107-R112 PolarHBondContact O-N 3.36Å; T110-R112 PolarHBondContact O-N 3.23Å; R112-E114 PolarHBondContact O-N 2.99Å; R112-H141 VanDerWaalsContact CZ-CD2 3.48Å; R112-H141 PolarHBondContact NH1-CD2 3.31Å; R112-H141 PolarHBondContact NH1-NE2 2.92Å; R112-H141 PolarHBondContact NH2-CD2 3.33Å; R112-R143 VanDerWaalsContact CZ-NH2 3.27Å; R112-D477 IonicContact NH2-OD1 3.72Å; R112-D477 PolarHBondContact NH2-OD1 3.28Å
113	D	62.6	Low	80.6	Confident	131 Å²	131	46 Å²	46	70%	0.701	25%	0.25	S	C	*	.			trans	-79.6	87.1	-178.3	-66.6	-29.3	0	0	0	110.8	G115	D113-G115 PolarHBondContact O-N 3.29Å
114	E	63.5	Low	80.7	Confident	78 Å²	78	45.3 Å²	45.3	36%	0.364	24%	0.244	S	C	.	.	S	Bend	trans	-77.2	28.7	173.1	-63.8	-148.2	153.5	0	0	113.8	Q55 R112 K661	Q55-E114 PolarHBondContact NE2-O 3.24Å; R112-E114 PolarHBondContact O-N 2.99Å; E114-K661 PolarHBondContact O-NZ 3Å
115	G	60.3	Low	80.7	Confident	25 Å²	25	44 Å²	44	26%	0.258	23%	0.234	S	C	.	.	S	Bend	trans	96.6	12.1	176.5	0	0	0	0	0	115.4	D51 D113	D51-G115 PolarHBondContact N-O 3.33Å; D113-G115 PolarHBondContact O-N 3.29Å
116	G	68.7	Low	80.5	Confident	13 Å²	13	47.2 Å²	47.2	13%	0.134	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	167.9	165.3	0	0	0	0	0	112.5	Y48 E49	Y48-G116 VanDerWaalsContact CE2-C 3.44Å; Y48-G116 VanDerWaalsContact CZ-CA 3.46Å; Y48-G116 WeakPolarHBondContact OH-CA 3.43Å; Y48-G116 PolarHBondContact OH-N 2.89Å; E49-G116 CarbonylContact O-C 3.49Å; E49-G116 WeakPolarHBondContact O-CA 3.44Å
117	R	77.8	Confident	80.1	Confident	196 Å²	196	50 Å²	50	74%	0.74	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.9	133.2	177.1	-176.5	176.5	176.8	-178.3	-0.4	109.2	E49 T119	E49-R117 PolarHBondContact N-O 3.46Å; E49-R117 PolarHBondContact O-N 2.92Å; R117-T119 PolarHBondContact O-N 3.24Å
118	M	79.6	Confident	80.1	Confident	69 Å²	69	55.9 Å²	55.9	34%	0.34	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	116.9	168.3	-172.1	177.2	173.8	0	0	109.3	L46 S120 G121	L46-M118 HydrophobicContact CD1-CE 3.59Å; L46-M118 HydrophobicContact CD1-CG 3.96Å; L46-M118 HydrophobicContact CD1-SD 3.93Å; M118-S120 VanDerWaalsContact CE-O 3.3Å; M118-S120 WeakPolarHBondContact CE-O 3.39Å; M118-G121 WeakPolarHBondContact CE-O 3.36Å
119	T	78.6	Confident	80	Confident	66 Å²	66	59.3 Å²	59.3	41%	0.405	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-34.3	-177.2	32.1	0	0	0	0	111.6	H47 E49 R117	H47-T119 PolarHBondContact CD2-OG1 3.1Å; H47-T119 PolarHBondContact O-N 3.36Å; H47-T119 PolarHBondContact O-OG1 3.14Å; E49-T119 HydrophobicContact CG-CG2 4.24Å; R117-T119 PolarHBondContact O-N 3.24Å
120	S	82.1	Confident	79.8	Confident	60 Å²	60	60.7 Å²	60.7	42%	0.42	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	165.2	172.3	67.6	0	0	0	0	112.7	N45 H47 M118	N45-S120 CarbonylContact O-C 3.55Å; H47-S120 WeakPolarHBondContact CB-OG 3.37Å; H47-S120 PolarHBondContact N-O 3.41Å; M118-S120 VanDerWaalsContact CE-O 3.3Å; M118-S120 WeakPolarHBondContact CE-O 3.39Å
121	G	83	Confident	79.6	Confident	24 Å²	24	63.4 Å²	63.4	25%	0.247	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	105.2	-175.6	178.2	0	0	0	0	0	113.8	T44 N45 M118	T44-G121 CarbonylContact O-C 3.53Å; T44-G121 WeakPolarHBondContact O-CA 3.42Å; N45-G121 WeakPolarHBondContact O-CA 3.5Å; N45-G121 PolarHBondContact O-N 3.19Å; M118-G121 WeakPolarHBondContact CE-O 3.36Å
122	H	86.3	Confident	79.5	Confident	113 Å²	113	65.2 Å²	65.2	52%	0.523	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	147.4	170.3	0.6	-68.3	0	0	0	110.1	T44	T44-H122 PolarHBondContact N-O 3.07Å; T44-H122 PolarHBondContact O-N 3.46Å; T44-H122 PolarHBondContact OG1-CD2 3.38Å; T44-H122 PolarHBondContact OG1-O 3.26Å
123	V	87.9	Confident	79.7	Confident	8 Å²	8	70.7 Å²	70.7	5%	0.048	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	122.6	167.1	-178.8	0	0	0	0	107	L41 E42 V43 I108 N130	L41-V123 HydrophobicContact CD1-CG1 4.02Å; E42-V123 CarbonylContact O-C 3.58Å; E42-V123 WeakPolarHBondContact O-CA 3.35Å; V43-V123 HydrophobicContact CG1-CG2 4.37Å; V43-V123 HydrophobicContact CG2-CG1 4.17Å; V43-V123 HydrophobicContact CG2-CG2 4.17Å; I108-V123 HydrophobicContact CG2-CG2 4.29Å; V123-N130 HydrophobicContact CB-CB 3.78Å; V123-N130 HydrophobicContact CG1-CB 3.93Å; V123-N130 VanDerWaalsContact O-CB 3.31Å; V123-N130 WeakPolarHBondContact O-CB 3.28Å; V123-N130 PolarHBondContact O-N 3.4Å
124	L	88	Confident	80.7	Confident	37 Å²	37	66.6 Å²	66.6	19%	0.194	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	130	-179.4	-60.7	167.7	0	0	0	109.2	E42 K128	E42-L124 HydrophobicContact CB-CB 4.27Å; E42-L124 PolarHBondContact N-O 3.03Å; E42-L124 PolarHBondContact O-N 2.87Å; L124-K128 CarbonylContact C-O 3.59Å; L124-K128 VanDerWaalsContact CA-O 3.28Å; L124-K128 WeakPolarHBondContact CA-O 3.3Å
125	I	87.6	Confident	81.7	Confident	2 Å²	2	63.3 Å²	63.3	1%	0.01	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	113.2	172.3	-58.1	165.6	0	0	0	106.3	L41 G127 K128 N130 L134 V135 I139 I224	L41-I125 HydrophobicContact CD1-CG1 4.07Å; I125-G127 VanDerWaalsContact C-N 3.25Å; I125-G127 PolarHBondContact O-N 3.46Å; I125-K128 PolarHBondContact N-O 3.01Å; I125-K128 PolarHBondContact O-N 3.17Å; I125-N130 HydrophobicContact CD1-CB 4.49Å; I125-N130 WeakPolarHBondContact CD1-OD1 3.22Å; I125-L134 HydrophobicContact CB-CD2 4.22Å; I125-L134 HydrophobicContact CD1-CD2 4.43Å; I125-V135 HydrophobicContact CD1-CG2 4.27Å; I125-I139 HydrophobicContact CD1-CD1 3.55Å; I125-I139 HydrophobicContact CD1-CG1 4.37Å; I125-I139 HydrophobicContact CG1-CD1 4.32Å; I125-I224 HydrophobicContact CG2-CD1 3.8Å
126	N	85.7	Confident	82.6	Confident	68 Å²	68	66.4 Å²	66.4	36%	0.364	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	43.9	-176	-54.1	-12.6	0	0	0	112.1	N39 E40 K128	N39-N126 WeakPolarHBondContact CA-OD1 3.4Å; N39-N126 WeakPolarHBondContact CB-OD1 3.46Å; N39-N126 PolarHBondContact OD1-ND2 3.24Å; N39-N126 PolarHBondContact OD1-OD1 3.49Å; E40-N126 PolarHBondContact N-OD1 3.18Å; E40-N126 PolarHBondContact O-N 2.88Å; E40-N126 PolarHBondContact O-OD1 2.95Å; N126-K128 PolarHBondContact O-N 3.39Å
127	G	81.4	Confident	83.2	Confident	59 Å²	59	72.9 Å²	72.9	61%	0.608	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	73	4.2	-178.1	0	0	0	0	0	115.7	I125	I125-G127 VanDerWaalsContact C-N 3.25Å; I125-G127 PolarHBondContact O-N 3.46Å
128	K	85.4	Confident	83.3	Confident	134 Å²	134	64.9 Å²	64.9	58%	0.583	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.7	143.6	177.4	-66.1	177	-176.5	170.5	0	111.2	L124 I125 N126 L134	L124-K128 CarbonylContact C-O 3.59Å; L124-K128 VanDerWaalsContact CA-O 3.28Å; L124-K128 WeakPolarHBondContact CA-O 3.3Å; I125-K128 PolarHBondContact N-O 3.01Å; I125-K128 PolarHBondContact O-N 3.17Å; N126-K128 PolarHBondContact O-N 3.39Å; K128-L134 HydrophobicContact CB-CD2 4.09Å
129	P	85.8	Confident	83.8	Confident	87 Å²	87	61.9 Å²	61.9	57%	0.565	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.1	140.5	179.3	27.3	-34.7	0	0	0	111.6	T131	P129-T131 PolarHBondContact O-N 3.43Å; P129-T131 VanDerWaalsContact O-N 3.09Å; P129-T131 PolarHBondContact O-OG1 3.44Å
130	N	82.5	Confident	84.3	Confident	29 Å²	29	58.8 Å²	58.8	16%	0.155	33%	0.325	C	S	.	.			trans	-62.1	112.6	179.1	-167.2	12.3	0	0	0	110.8	I108 I109 C111 V123 I125 V135	I108-N130 PolarHBondContact O-ND2 3.47Å; I109-N130 PolarHBondContact O-ND2 3.4Å; C111-N130 PolarHBondContact SG-ND2 3.28Å; C111-N130 PolarHBondContact SG-OD1 2.95Å; V123-N130 HydrophobicContact CB-CB 3.78Å; V123-N130 HydrophobicContact CG1-CB 3.93Å; V123-N130 VanDerWaalsContact O-CB 3.31Å; V123-N130 WeakPolarHBondContact O-CB 3.28Å; V123-N130 PolarHBondContact O-N 3.4Å; I125-N130 HydrophobicContact CD1-CB 4.49Å; I125-N130 WeakPolarHBondContact CD1-OD1 3.22Å; N130-V135 WeakPolarHBondContact OD1-CG2 3.41Å
131	T	84.2	Confident	84.7	Confident	65 Å²	65	56.3 Å²	56.3	40%	0.399	31%	0.307	S	S	.	.			trans	-122.4	140.1	179.1	-46.5	0	0	0	0	108	P129 Q133 L134 V135	P129-T131 PolarHBondContact O-N 3.43Å; P129-T131 VanDerWaalsContact O-N 3.09Å; P129-T131 PolarHBondContact O-OG1 3.44Å; T131-Q133 PolarHBondContact O-N 2.88Å; T131-L134 WeakPolarHBondContact O-CA 3.4Å; T131-L134 WeakPolarHBondContact O-CB 3.31Å; T131-L134 PolarHBondContact O-N 3.39Å; T131-V135 PolarHBondContact O-N 3.06Å
132	P	82	Confident	85.2	Confident	71 Å²	71	55.3 Å²	55.3	46%	0.461	30%	0.297	S	S	.	.	H	α-helix	trans	-53.2	-33.8	-177.8	-28.1	32.6	0	0	0	114.2	C111 K136	C111-P132 HydrophobicContact CB-CB 4.29Å; C111-P132 HydrophobicContact CB-CG 3.98Å; P132-K136 WeakPolarHBondContact O-CG 3.3Å; P132-K136 PolarHBondContact O-N 2.63Å
133	Q	80.7	Confident	85.2	Confident	149 Å²	149	51.6 Å²	51.6	70%	0.696	28%	0.278	S	S	*	.	H	α-helix	trans	-71.3	-34.1	176.6	-63.2	-176	0.4	0	0	113.2	T131 K137	T131-Q133 PolarHBondContact O-N 2.88Å; Q133-K137 WeakPolarHBondContact O-CG 3.19Å
134	L	82.7	Confident	85.1	Confident	45 Å²	45	55.7 Å²	55.7	24%	0.236	30%	0.296	C	S	.	.	H	α-helix	trans	-72.3	-43.6	177.7	-177.1	65.7	0	0	0	110.4	I125 K128 T131 K137 S138	I125-L134 HydrophobicContact CB-CD2 4.22Å; I125-L134 HydrophobicContact CD1-CD2 4.43Å; K128-L134 HydrophobicContact CB-CD2 4.09Å; T131-L134 WeakPolarHBondContact O-CA 3.4Å; T131-L134 WeakPolarHBondContact O-CB 3.31Å; T131-L134 PolarHBondContact O-N 3.39Å; L134-K137 PolarHBondContact O-N 2.9Å; L134-S138 WeakPolarHBondContact O-CB 3.28Å; L134-S138 PolarHBondContact O-N 3.47Å; L134-S138 PolarHBondContact O-OG 3.49Å
135	V	84.5	Confident	84.9	Confident	9 Å²	9	56.7 Å²	56.7	6%	0.055	30%	0.302	C	S	.	.	H	α-helix	trans	-55.6	-55.3	175.7	178.4	0	0	0	0	110.5	T110 C111 I125 N130 T131 K137 S138 I139	T110-V135 WeakPolarHBondContact O-CG1 3.41Å; C111-V135 HydrophobicContact CB-CG2 4.23Å; I125-V135 HydrophobicContact CD1-CG2 4.27Å; N130-V135 WeakPolarHBondContact OD1-CG2 3.41Å; T131-V135 PolarHBondContact O-N 3.06Å; V135-K137 PolarHBondContact O-N 3.06Å; V135-S138 PolarHBondContact O-N 2.93Å; V135-I139 HydrophobicContact CG1-CB 3.94Å; V135-I139 HydrophobicContact CG1-CD1 4.16Å; V135-I139 HydrophobicContact CG1-CG1 4.42Å; V135-I139 HydrophobicContact CG1-CG2 4.45Å; V135-I139 HydrophobicContact CG2-CD1 4.46Å; V135-I139 PolarHBondContact O-N 3.28Å
136	K	80.9	Confident	84.8	Confident	91 Å²	91	58.3 Å²	58.3	40%	0.396	31%	0.311	S	S	.	.	H	α-helix	trans	-57.2	-26.3	-176.7	-71.4	-177.3	-174.3	-141.6	0	113.5	P132 R165 L475 E476	P132-K136 WeakPolarHBondContact O-CG 3.3Å; P132-K136 PolarHBondContact O-N 2.63Å; K136-R165 PolarHBondContact O-NH1 3.05Å; K136-L475 PolarHBondContact NZ-O 2.97Å; K136-E476 WeakPolarHBondContact CE-O 3.47Å; K136-E476 PolarHBondContact NZ-O 3.1Å
137	K	80	Confident	84.7	Confident	148 Å²	148	59.7 Å²	59.7	64%	0.643	31%	0.311	S	S	*	.	H	α-helix	trans	-89	-26.9	178.6	-72.2	-179.7	179	-178	0	114.1	Q133 L134 V135 W220	Q133-K137 WeakPolarHBondContact O-CG 3.19Å; L134-K137 PolarHBondContact O-N 2.9Å; V135-K137 PolarHBondContact O-N 3.06Å; K137-W220 VanDerWaalsContact O-CZ3 3.25Å; K137-W220 WeakPolarHBondContact O-CZ3 3.47Å
138	S	81.2	Confident	85.2	Confident	28 Å²	28	58.3 Å²	58.3	20%	0.196	29%	0.289	C	S	.	.	H	α-helix	trans	-116.9	-28.5	-165.7	-41.5	0	0	0	0	113.3	L134 V135	L134-S138 WeakPolarHBondContact O-CB 3.28Å; L134-S138 PolarHBondContact O-N 3.47Å; L134-S138 PolarHBondContact O-OG 3.49Å; V135-S138 PolarHBondContact O-N 2.93Å
139	I	88.4	Confident	85.4	Confident	7 Å²	7	53.2 Å²	53.2	4%	0.036	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	127.6	-175.3	-61.4	-179.6	0	0	0	109.5	I109 T110 I125 V135 I224 I226	I109-I139 HydrophobicContact CG2-CD1 4.24Å; T110-I139 HydrophobicContact CG2-CG2 4.19Å; I125-I139 HydrophobicContact CD1-CD1 3.55Å; I125-I139 HydrophobicContact CD1-CG1 4.37Å; I125-I139 HydrophobicContact CG1-CD1 4.32Å; V135-I139 HydrophobicContact CG1-CB 3.94Å; V135-I139 HydrophobicContact CG1-CD1 4.16Å; V135-I139 HydrophobicContact CG1-CG1 4.42Å; V135-I139 HydrophobicContact CG1-CG2 4.45Å; V135-I139 HydrophobicContact CG2-CD1 4.46Å; V135-I139 PolarHBondContact O-N 3.28Å; I139-I224 HydrophobicContact CB-CG2 4.48Å; I139-I224 HydrophobicContact CD1-CG2 4.47Å; I139-I224 HydrophobicContact CG1-CB 4.03Å; I139-I224 HydrophobicContact CG1-CD1 4.03Å; I139-I224 HydrophobicContact CG1-CG2 3.93Å; I139-I224 HydrophobicContact CG2-CG2 4.23Å; I139-I226 HydrophobicContact CD1-CD1 4.49Å; I139-I226 HydrophobicContact CG2-CD1 3.6Å; I139-I226 HydrophobicContact CG2-CG1 3.87Å
140	A	90.2	Very high	85.6	Confident	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	134.6	163.5	0	0	0	0	0	109.6	Q217 W220 P222 I224 L225 I226	A140-Q217 HydrophobicContact CB-CB 3.98Å; A140-W220 HydrophobicContact CB-CH2 4.47Å; A140-W220 HydrophobicContact CB-CZ2 3.69Å; A140-P222 HydrophobicContact CB-CB 3.55Å; A140-P222 HydrophobicContact CB-CG 3.5Å; A140-P222 VanDerWaalsContact CB-CG 3.5Å; A140-I224 PolarHBondContact N-O 3.13Å; A140-L225 HydrophobicContact CB-CD1 3.6Å; A140-I226 PolarHBondContact O-N 3.03Å
141	H	91.2	Very high	86.1	Confident	8 Å²	8	49.3 Å²	49.3	4%	0.037	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.1	178.3	176.8	96.4	0	0	0	110.7	T110 R112 R143 I226	T110-H141 HydrophobicContact CG2-CB 4Å; R112-H141 VanDerWaalsContact CZ-CD2 3.48Å; R112-H141 PolarHBondContact NH1-CD2 3.31Å; R112-H141 PolarHBondContact NH1-NE2 2.92Å; R112-H141 PolarHBondContact NH2-CD2 3.33Å; H141-R143 WeakPolarHBondContact NE2-CG 3.45Å; H141-I226 CarbonylContact C-O 3.57Å; H141-I226 WeakPolarHBondContact CA-O 3.4Å
142	V	91.6	Very high	86.5	Confident	4 Å²	4	46.2 Å²	46.2	2%	0.024	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114.3	175.3	-177.8	0	0	0	0	107.5	I214 Q217 L225 I226 L227 D228	V142-I214 HydrophobicContact CG1-CG1 4.04Å; V142-I214 HydrophobicContact CG2-CG1 4.11Å; V142-Q217 HydrophobicContact CG2-CB 4.24Å; V142-Q217 HydrophobicContact CG2-CG 3.83Å; V142-L225 HydrophobicContact CG2-CD1 4.16Å; V142-I226 PolarHBondContact N-O 3.37Å; V142-L227 HydrophobicContact CB-CB 4.43Å; V142-L227 HydrophobicContact CB-CD2 4.24Å; V142-L227 HydrophobicContact CB-CG 4.16Å; V142-L227 HydrophobicContact CG2-CD2 4.24Å; V142-L227 HydrophobicContact CG2-CG 4.29Å; V142-D228 PolarHBondContact O-N 3.26Å
143	R	87.8	Confident	87.2	Confident	35 Å²	35	43.7 Å²	43.7	13%	0.132	21%	0.208	C	C	.	.			trans	-75.5	170.3	-178.1	-61	176	-161	-132.2	-7.6	111.4	R112 H141 R210 H473 E476 D477	R112-R143 VanDerWaalsContact CZ-NH2 3.27Å; H141-R143 WeakPolarHBondContact NE2-CG 3.45Å; R143-R210 PolarHBondContact O-NH1 3.4Å; R143-R210 PolarHBondContact O-NH2 3.21Å; R143-R210 VanDerWaalsContact O-NH2 3.09Å; R143-H473 WeakPolarHBondContact CD-CE1 3.28Å; R143-H473 WeakPolarHBondContact CD-NE2 3.3Å; R143-H473 PolarHBondContact NH1-CD2 3.06Å; R143-H473 PolarHBondContact NH1-NE2 3.3Å; R143-E476 IonicContact CZ-OE2 2.96Å; R143-E476 IonicContact NH1-OE2 3.87Å; R143-E476 PolarHBondContact NH1-OE2 2.93Å; R143-E476 VanDerWaalsContact NH2-CB 3.3Å; R143-E476 IonicContact NH2-OE2 3.02Å; R143-E476 PolarHBondContact NH2-OE2 3.15Å; R143-D477 IonicContact NH2-OD1 3.73Å
144	Q	85.6	Confident	87.9	Confident	93 Å²	93	36.6 Å²	36.6	44%	0.435	18%	0.175	S	C	.	.	S	Bend	trans	-62.7	-45.4	172.2	-166.1	-179.5	18.4	0	0	111.9	R210 E229	Q144-R210 PolarHBondContact O-NH1 3.32Å; Q144-E229 HydrophobicContact CG-CB 4.35Å; Q144-E229 PolarHBondContact NE2-OE2 3.27Å
145	D	82.9	Confident	88.6	Confident	58 Å²	58	38.5 Å²	38.5	31%	0.31	18%	0.178	S	C	.	.	S	Bend	trans	-85.2	119.9	-178.4	-86.8	10.5	0	0	0	113.7	R147	D145-R147 HydrophobicContact CB-CG 4.35Å; D145-R147 PolarHBondContact O-N 3.09Å; D145-R147 VanDerWaalsContact O-N 3.14Å; D145-R147 IonicContact OD2-CZ 3.54Å; D145-R147 IonicContact OD2-NE 2.69Å; D145-R147 PolarHBondContact OD2-NE 3.19Å; D145-R147 IonicContact OD2-NH2 3.31Å; D145-R147 PolarHBondContact OD2-NH2 3.37Å
146	D	85.2	Confident	89.1	Confident	36 Å²	36	40.3 Å²	40.3	19%	0.193	19%	0.186	C	C	.	.			trans	-82.6	83.4	173.5	-61.5	-43.5	0	0	0	111.5	R209 R210 S213	D146-R209 HydrophobicContact CB-CG 4Å; D146-R210 WeakPolarHBondContact OD1-CD 3.22Å; D146-R210 IonicContact OD1-CZ 2.73Å; D146-R210 IonicContact OD1-NH1 3.41Å; D146-R210 PolarHBondContact OD1-NH1 2.92Å; D146-R210 WeakPolarHBondContact OD2-CA 3.37Å; D146-R210 VanDerWaalsContact OD2-CD 3.29Å; D146-R210 WeakPolarHBondContact OD2-CD 3.31Å; D146-R210 IonicContact OD2-NH1 2.92Å; D146-S213 WeakPolarHBondContact CB-OG 3.42Å; D146-S213 VanDerWaalsContact CG-OG 3.23Å; D146-S213 WeakPolarHBondContact OD1-CB 3.36Å; D146-S213 PolarHBondContact OD1-OG 3.28Å
147	R	85.3	Confident	89.8	Confident	98 Å²	98	36.6 Å²	36.6	37%	0.37	17%	0.171	S	C	.	.			trans	-90.2	110.7	173.6	-55.2	-63	178.5	157.1	-3.6	109.2	D145 A469 M470	D145-R147 HydrophobicContact CB-CG 4.35Å; D145-R147 PolarHBondContact O-N 3.09Å; D145-R147 VanDerWaalsContact O-N 3.14Å; D145-R147 IonicContact OD2-CZ 3.54Å; D145-R147 IonicContact OD2-NE 2.69Å; D145-R147 PolarHBondContact OD2-NE 3.19Å; D145-R147 IonicContact OD2-NH2 3.31Å; D145-R147 PolarHBondContact OD2-NH2 3.37Å; R147-A469 HydrophobicContact CG-CB 4.31Å; R147-M470 HydrophobicContact CB-CB 4.38Å; R147-M470 HydrophobicContact CB-CE 4.18Å; R147-M470 WeakPolarHBondContact O-CE 3.48Å
148	L	90.6	Very high	90.5	Very high	29 Å²	29	29.5 Å²	29.5	15%	0.152	14%	0.141	C	C	.	.			trans	-135.3	158.3	177.3	-64.3	172.9	0	0	0	109.6	T157 V196 R209 V212 V216	L148-T157 HydrophobicContact CD2-CG2 4.36Å; L148-V196 HydrophobicContact CB-CG1 3.84Å; L148-V196 HydrophobicContact CD1-CG1 3.8Å; L148-V196 HydrophobicContact CG-CG1 4.49Å; L148-R209 HydrophobicContact CD1-CG 4.24Å; L148-V212 HydrophobicContact CD1-CB 4.1Å; L148-V212 HydrophobicContact CD1-CG1 3.66Å; L148-V216 HydrophobicContact CD2-CG2 4.31Å
149	L	90.8	Very high	91.2	Very high	27 Å²	27	29.2 Å²	29.2	14%	0.141	14%	0.138	C	C	.	.			trans	-71.7	124	178.8	-68.4	174.3	0	0	0	111.2	H151 L152 R398	L149-H151 PolarHBondContact O-N 3.44Å; L149-L152 HydrophobicContact CB-CD1 3.97Å; L149-L152 HydrophobicContact CB-CG 4.2Å; L149-L152 HydrophobicContact CD1-CD1 3.66Å; L149-L152 HydrophobicContact CG-CD1 4.47Å; L149-R398 HydrophobicContact CD1-CG 3.76Å
150	P	89.9	Confident	91.4	Very high	20 Å²	20	29.5 Å²	29.5	13%	0.13	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-31.6	-167.7	24.3	-31.8	0	0	0	114.5	G197 N198	P150-G197 WeakPolarHBondContact O-CA 3.5Å; P150-G197 PolarHBondContact O-N 3.22Å; P150-N198 HydrophobicContact CB-CB 3.95Å
151	H	91.9	Very high	91.5	Very high	14 Å²	14	29.8 Å²	29.8	7%	0.065	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-2.6	-172.7	-55.7	-79.5	0	0	0	114.1	L149 R405 D406	L149-H151 PolarHBondContact O-N 3.44Å; H151-R405 HydrophobicContact CB-CB 3.95Å; H151-R405 WeakPolarHBondContact O-CD 3.48Å; H151-D406 VanDerWaalsContact CE1-CG 3.46Å; H151-D406 IonicContact CE1-OD1 2.68Å; H151-D406 PolarHBondContact CE1-OD1 3.28Å; H151-D406 IonicContact NE2-OD1 3.19Å; H151-D406 IonicContact NE2-OD2 2.87Å
152	L	93.9	Very high	91.6	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.005	14%	0.139	C	C	.	.	S	Bend	trans	-92.5	151.9	176.4	-59.6	-177.3	0	0	0	111	L149 F160 R195 V196 R398	L149-L152 HydrophobicContact CB-CD1 3.97Å; L149-L152 HydrophobicContact CB-CG 4.2Å; L149-L152 HydrophobicContact CD1-CD1 3.66Å; L149-L152 HydrophobicContact CG-CD1 4.47Å; L152-F160 HydrophobicContact CD1-CD2 3.95Å; L152-F160 HydrophobicContact CD1-CE2 4.05Å; L152-F160 HydrophobicContact CD2-CE2 4.19Å; L152-R195 WeakPolarHBondContact O-CA 3.39Å; L152-V196 PolarHBondContact O-N 2.94Å; L152-R398 HydrophobicContact CD1-CG 3.87Å
153	T	95.6	Very high	91.6	Very high	18 Å²	18	31.1 Å²	31.1	11%	0.11	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-78.8	162.7	170.8	62	0	0	0	0	111.4	R155 E156 T157 H193 T194	T153-R155 PolarHBondContact O-N 3.43Å; T153-E156 WeakPolarHBondContact CB-OE2 3.47Å; T153-E156 WeakPolarHBondContact CG2-OE2 3.43Å; T153-E156 PolarHBondContact N-OE2 3.23Å; T153-E156 PolarHBondContact O-N 3.43Å; T153-E156 WeakPolarHBondContact OG1-CB 3.44Å; T153-E156 WeakPolarHBondContact OG1-CG 3.39Å; T153-E156 PolarHBondContact OG1-N 3.29Å; T153-E156 PolarHBondContact OG1-OE2 3.48Å; T153-T157 WeakPolarHBondContact O-CB 3.38Å; T153-T157 PolarHBondContact O-N 3.43Å; T153-T157 PolarHBondContact O-OG1 3.07Å; T153-H193 WeakPolarHBondContact CG2-O 3.37Å; T153-T194 WeakPolarHBondContact CA-O 3.49Å; T153-T194 WeakPolarHBondContact CB-O 3.43Å
154	V	96.3	Very high	91.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-55.2	-50.5	176.3	174.5	0	0	0	0	111.1	E156 T157 L158 C191 T194 V196 V204 V212	V154-E156 PolarHBondContact O-N 2.94Å; V154-T157 PolarHBondContact O-N 2.87Å; V154-L158 HydrophobicContact CG1-CD1 4.13Å; V154-L158 WeakPolarHBondContact O-CG 3.12Å; V154-L158 PolarHBondContact O-N 3.3Å; V154-C191 WeakPolarHBondContact CB-O 3.17Å; V154-C191 VanDerWaalsContact CG2-O 3.22Å; V154-C191 WeakPolarHBondContact CG2-O 3.36Å; V154-T194 PolarHBondContact N-O 3.38Å; V154-T194 VanDerWaalsContact N-O 3.12Å; V154-V196 HydrophobicContact CG2-CG2 4.18Å; V154-V204 HydrophobicContact CG2-CG1 3.87Å; V154-V212 HydrophobicContact CB-CG2 4.34Å; V154-V212 HydrophobicContact CG1-CG1 4.33Å; V154-V212 HydrophobicContact CG1-CG2 3.62Å; V154-V212 HydrophobicContact CG2-CG2 3.83Å
155	R	96.4	Very high	91.7	Very high	84 Å²	84	26.3 Å²	26.3	32%	0.317	12%	0.124	S	C	.	.	H	α-helix	trans	-64.4	-38.9	-179.5	-169.9	172.3	-165.5	-117	4.3	112.5	T153 L158 C159 V179 D180 I183 A192	T153-R155 PolarHBondContact O-N 3.43Å; R155-L158 PolarHBondContact O-N 3.34Å; R155-C159 VanDerWaalsContact O-CB 3.26Å; R155-C159 WeakPolarHBondContact O-CB 3.27Å; R155-C159 PolarHBondContact O-N 3.33Å; R155-V179 HydrophobicContact CG-CG1 4.15Å; R155-D180 IonicContact CZ-OD1 2.81Å; R155-D180 IonicContact CZ-OD2 3.53Å; R155-D180 IonicContact NE-OD1 3.47Å; R155-D180 PolarHBondContact NE-OD1 3.02Å; R155-D180 IonicContact NH2-OD1 3.65Å; R155-D180 PolarHBondContact NH2-OD1 3.37Å; R155-D180 IonicContact NH2-OD2 2.84Å; R155-D180 PolarHBondContact NH2-OD2 3.13Å; R155-I183 HydrophobicContact CB-CD1 4.15Å; R155-I183 HydrophobicContact CG-CD1 4.07Å; R155-A192 WeakPolarHBondContact CB-O 3.23Å; R155-A192 PolarHBondContact N-O 2.83Å
156	E	95.8	Very high	91.8	Very high	48 Å²	48	23.9 Å²	23.9	22%	0.224	11%	0.111	C	C	.	.	H	α-helix	trans	-65.4	-45	175.9	-73.9	164.3	156.4	0	0	111.7	T153 V154 L158 C159 F160 R405	T153-E156 WeakPolarHBondContact CB-OE2 3.47Å; T153-E156 WeakPolarHBondContact CG2-OE2 3.43Å; T153-E156 PolarHBondContact N-OE2 3.23Å; T153-E156 PolarHBondContact O-N 3.43Å; T153-E156 WeakPolarHBondContact OG1-CB 3.44Å; T153-E156 WeakPolarHBondContact OG1-CG 3.39Å; T153-E156 PolarHBondContact OG1-N 3.29Å; T153-E156 PolarHBondContact OG1-OE2 3.48Å; V154-E156 PolarHBondContact O-N 2.94Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 3.17Å; E156-C159 PolarHBondContact O-N 3.48Å; E156-F160 HydrophobicContact CB-CD2 4.38Å; E156-F160 HydrophobicContact CB-CE2 4.2Å; E156-F160 WeakPolarHBondContact O-CD2 3.34Å; E156-F160 PolarHBondContact O-N 2.95Å; E156-R405 VanDerWaalsContact CD-NH1 3.25Å; E156-R405 IonicContact OE1-CZ 2.94Å; E156-R405 VanDerWaalsContact OE1-CZ 3.32Å; E156-R405 IonicContact OE1-NH1 2.84Å; E156-R405 PolarHBondContact OE1-NH1 3.23Å; E156-R405 VanDerWaalsContact OE1-NH1 3.08Å; E156-R405 IonicContact OE1-NH2 3.85Å; E156-R405 PolarHBondContact OE1-NH2 3.18Å; E156-R405 IonicContact OE2-CZ 3.19Å; E156-R405 IonicContact OE2-NH1 2.74Å; E156-R405 PolarHBondContact OE2-NH1 3.17Å; E156-R405 IonicContact OE2-NH2 3.05Å
157	T	95.4	Very high	91.7	Very high	12 Å²	12	23.1 Å²	23.1	7%	0.074	11%	0.108	C	C	.	.	H	α-helix	trans	-56.3	-48.8	177	-56.7	0	0	0	0	110.1	L148 T153 V154 C159 F160 V161	L148-T157 HydrophobicContact CD2-CG2 4.36Å; T153-T157 WeakPolarHBondContact O-CB 3.38Å; T153-T157 PolarHBondContact O-N 3.43Å; T153-T157 PolarHBondContact O-OG1 3.07Å; V154-T157 PolarHBondContact O-N 2.87Å; T157-C159 PolarHBondContact O-N 3.38Å; T157-F160 PolarHBondContact O-N 3Å; T157-V161 VanDerWaalsContact O-CG2 3.28Å; T157-V161 WeakPolarHBondContact O-CG2 3.49Å; T157-V161 PolarHBondContact O-N 3.47Å
158	L	95.5	Very high	91.4	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.9	-39.7	176.9	-64.9	176.4	0	0	0	112.7	V154 R155 E156 V161 A162 V179 I183 A215 V216 L219	V154-L158 HydrophobicContact CG1-CD1 4.13Å; V154-L158 WeakPolarHBondContact O-CG 3.12Å; V154-L158 PolarHBondContact O-N 3.3Å; R155-L158 PolarHBondContact O-N 3.34Å; E156-L158 VanDerWaalsContact C-N 3.31Å; E156-L158 PolarHBondContact O-N 3.17Å; L158-V161 PolarHBondContact O-N 3.04Å; L158-A162 WeakPolarHBondContact O-CB 3.41Å; L158-A162 PolarHBondContact O-N 2.93Å; L158-V179 HydrophobicContact CB-CG1 3.78Å; L158-V179 HydrophobicContact CB-CG2 4.24Å; L158-V179 HydrophobicContact CD1-CG1 4.36Å; L158-I183 HydrophobicContact CD1-CD1 4Å; L158-I183 HydrophobicContact CD1-CG1 3.55Å; L158-A215 HydrophobicContact CD1-CB 4.12Å; L158-A215 HydrophobicContact CD2-CB 3.59Å; L158-A215 HydrophobicContact CG-CB 4.49Å; L158-V216 HydrophobicContact CD2-CG2 3.96Å; L158-L219 HydrophobicContact CB-CD1 4.19Å; L158-L219 HydrophobicContact CD2-CD1 3.86Å; L158-L219 HydrophobicContact CD2-CG 4.42Å; L158-L219 WeakPolarHBondContact O-CD1 3.21Å
159	C	94.9	Very high	91	Very high	21 Å²	21	25.9 Å²	25.9	14%	0.142	13%	0.132	C	C	.	.	H	α-helix	trans	-66.4	-38.3	177.6	-169.6	0	0	0	0	112.2	R155 E156 T157 A162 K163 D176	R155-C159 VanDerWaalsContact O-CB 3.26Å; R155-C159 WeakPolarHBondContact O-CB 3.27Å; R155-C159 PolarHBondContact O-N 3.33Å; E156-C159 PolarHBondContact O-N 3.48Å; T157-C159 PolarHBondContact O-N 3.38Å; C159-A162 PolarHBondContact O-N 2.87Å; C159-K163 WeakPolarHBondContact O-CG 3.39Å; C159-K163 PolarHBondContact O-N 2.69Å; C159-D176 PolarHBondContact SG-OD1 2.88Å
160	F	93.6	Very high	90.7	Very high	14 Å²	14	27.7 Å²	27.7	6%	0.061	14%	0.139	C	C	.	.	H	α-helix	trans	-65.7	-46.5	174.2	-74.8	-59.9	0	0	0	111.5	L152 E156 T157 A162 K163 L164 T394 R397 R398	L152-F160 HydrophobicContact CD1-CD2 3.95Å; L152-F160 HydrophobicContact CD1-CE2 4.05Å; L152-F160 HydrophobicContact CD2-CE2 4.19Å; E156-F160 HydrophobicContact CB-CD2 4.38Å; E156-F160 HydrophobicContact CB-CE2 4.2Å; E156-F160 WeakPolarHBondContact O-CD2 3.34Å; E156-F160 PolarHBondContact O-N 2.95Å; T157-F160 PolarHBondContact O-N 3Å; F160-A162 VanDerWaalsContact C-N 3.33Å; F160-A162 PolarHBondContact O-N 3.3Å; F160-K163 PolarHBondContact O-N 3.15Å; F160-L164 WeakPolarHBondContact O-CG 3.1Å; F160-L164 PolarHBondContact O-N 3.5Å; F160-T394 HydrophobicContact CD1-CG2 3.87Å; F160-R397 HydrophobicContact CE1-CG 4.27Å; F160-R398 HydrophobicContact CD1-CB 3.96Å; F160-R398 HydrophobicContact CD1-CG 4.41Å; F160-R398 HydrophobicContact CD2-CB 4.38Å; F160-R398 HydrophobicContact CD2-CG 4.04Å; F160-R398 HydrophobicContact CE1-CB 4Å; F160-R398 HydrophobicContact CE2-CB 4.42Å; F160-R398 HydrophobicContact CE2-CG 4.31Å; F160-R398 HydrophobicContact CG-CB 4.17Å; F160-R398 HydrophobicContact CG-CG 4.11Å; F160-R398 HydrophobicContact CZ-CB 4.24Å
161	V	92.3	Very high	90.7	Very high	6 Å²	6	29.4 Å²	29.4	4%	0.036	15%	0.151	C	C	.	.	H	α-helix	trans	-60.9	-43.9	175.7	169.9	0	0	0	0	110.6	T157 L158 K163 L164 R165 V216 L219 M479	T157-V161 VanDerWaalsContact O-CG2 3.28Å; T157-V161 WeakPolarHBondContact O-CG2 3.49Å; T157-V161 PolarHBondContact O-N 3.47Å; L158-V161 PolarHBondContact O-N 3.04Å; V161-K163 VanDerWaalsContact C-N 3.3Å; V161-K163 PolarHBondContact O-N 3.34Å; V161-L164 PolarHBondContact O-N 3.48Å; V161-R165 PolarHBondContact O-N 3.01Å; V161-V216 HydrophobicContact CG1-CB 4.46Å; V161-V216 HydrophobicContact CG1-CG1 3.82Å; V161-V216 HydrophobicContact CG2-CG1 4.13Å; V161-V216 HydrophobicContact CG2-CG2 4.25Å; V161-L219 HydrophobicContact CB-CD1 3.82Å; V161-L219 HydrophobicContact CG1-CD1 3.49Å; V161-L219 VanDerWaalsContact CG1-CD1 3.49Å; V161-M479 HydrophobicContact CB-CE 4.18Å; V161-M479 HydrophobicContact CG1-CE 3.6Å; V161-M479 HydrophobicContact CG2-CE 4.24Å
162	A	92	Very high	90.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.4	-41.6	177.1	0	0	0	0	0	111.7	L158 C159 F160 L164 L166 V179 L219	L158-A162 WeakPolarHBondContact O-CB 3.41Å; L158-A162 PolarHBondContact O-N 2.93Å; C159-A162 PolarHBondContact O-N 2.87Å; F160-A162 VanDerWaalsContact C-N 3.33Å; F160-A162 PolarHBondContact O-N 3.3Å; A162-L164 VanDerWaalsContact C-N 3.26Å; A162-L164 PolarHBondContact O-N 3.3Å; A162-L166 HydrophobicContact CB-CD1 3.87Å; A162-L166 HydrophobicContact CB-CG 4.46Å; A162-L166 WeakPolarHBondContact O-CB 3.42Å; A162-L166 WeakPolarHBondContact O-CG 3.39Å; A162-L166 PolarHBondContact O-N 3.39Å; A162-V179 HydrophobicContact CB-CG2 3.86Å; A162-L219 HydrophobicContact CB-CD1 4.32Å; A162-L219 HydrophobicContact CB-CD2 4.28Å
163	K	91.4	Very high	90.5	Very high	39 Å²	39	35.7 Å²	35.7	17%	0.17	19%	0.192	C	C	.	.	H	α-helix	trans	-66.4	-25	176.9	-74.9	170.7	-178.8	168.1	0	114	C159 F160 V161 T394	C159-K163 WeakPolarHBondContact O-CG 3.39Å; C159-K163 PolarHBondContact O-N 2.69Å; F160-K163 PolarHBondContact O-N 3.15Å; V161-K163 VanDerWaalsContact C-N 3.3Å; V161-K163 PolarHBondContact O-N 3.34Å; K163-T394 HydrophobicContact CB-CG2 3.91Å; K163-T394 HydrophobicContact CD-CG2 4.41Å
164	L	89.4	Confident	90.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-91.9	-36.3	-179.3	-66.5	171.3	0	0	0	113	F160 V161 A162 P386 Q391 T394 L395 M479 Y480	F160-L164 WeakPolarHBondContact O-CG 3.1Å; F160-L164 PolarHBondContact O-N 3.5Å; V161-L164 PolarHBondContact O-N 3.48Å; A162-L164 VanDerWaalsContact C-N 3.26Å; A162-L164 PolarHBondContact O-N 3.3Å; L164-P386 WeakPolarHBondContact O-CD 3.47Å; L164-P386 WeakPolarHBondContact O-CG 3.42Å; L164-Q391 HydrophobicContact CD2-CB 4.2Å; L164-Q391 HydrophobicContact CD2-CG 4.27Å; L164-T394 HydrophobicContact CD2-CG2 4.06Å; L164-T394 HydrophobicContact CG-CG2 4.04Å; L164-L395 HydrophobicContact CD1-CD2 4.15Å; L164-L395 HydrophobicContact CD2-CG 4.46Å; L164-M479 HydrophobicContact CB-CE 4.12Å; L164-Y480 HydrophobicContact CD1-CD1 4.26Å
165	R	86.2	Confident	90.1	Very high	28 Å²	28	39.7 Å²	39.7	11%	0.106	21%	0.209	C	C	.	.	H	α-helix	trans	-93.3	-37.4	-177.3	-92	-87.6	-167.7	169.9	1.6	114	K136 V161 W220 D477 M479	K136-R165 PolarHBondContact O-NH1 3.05Å; V161-R165 PolarHBondContact O-N 3.01Å; R165-W220 HydrophobicContact CB-CB 4.41Å; R165-W220 VanDerWaalsContact NH1-CE2 3.34Å; R165-D477 PolarHBondContact NH2-O 2.98Å; R165-M479 HydrophobicContact CB-CE 4.41Å; R165-M479 HydrophobicContact CG-CE 3.49Å; R165-M479 VanDerWaalsContact CG-CE 3.49Å; R165-M479 HydrophobicContact CG-SD 3.26Å; R165-M479 WeakPolarHBondContact CG-SD 3.31Å; R165-M479 PolarHBondContact NE-SD 3.44Å
166	L	86.6	Confident	89.9	Confident	7 Å²	7	37.9 Å²	37.9	4%	0.037	21%	0.206	C	C	.	.	S	Bend	trans	-72.7	143.9	-176	-64.7	173.2	0	0	0	110.4	A162 F170 R175 R178	A162-L166 HydrophobicContact CB-CD1 3.87Å; A162-L166 HydrophobicContact CB-CG 4.46Å; A162-L166 WeakPolarHBondContact O-CB 3.42Å; A162-L166 WeakPolarHBondContact O-CG 3.39Å; A162-L166 PolarHBondContact O-N 3.39Å; L166-F170 HydrophobicContact CD1-CD1 4.33Å; L166-R175 HydrophobicContact CD1-CB 4.22Å; L166-R175 HydrophobicContact CD1-CG 3.88Å; L166-R178 HydrophobicContact CD1-CG 4.33Å
167	P	82.7	Confident	89.8	Confident	19 Å²	19	41.2 Å²	41.2	12%	0.123	22%	0.222	C	C	.	.			trans	-54.8	156.1	178.3	-26.6	34.7	0	0	0	113.5	H169 F170 R175	P167-H169 WeakPolarHBondContact CB-CE1 3.37Å; P167-H169 VanDerWaalsContact CB-ND1 3.26Å; P167-H169 WeakPolarHBondContact CB-ND1 3.35Å; P167-H169 PolarHBondContact O-N 3.14Å; P167-F170 HydrophobicContact CB-CD2 4.21Å; P167-F170 HydrophobicContact CG-CD2 4.26Å; P167-F170 HydrophobicContact CG-CE2 4.26Å; P167-F170 PolarHBondContact O-N 2.95Å; P167-R175 PolarHBondContact O-NH2 2.99Å
168	S	79	Confident	89.5	Confident	70 Å²	70	42 Å²	42	49%	0.49	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.7	-179.8	57.1	0	0	0	0	114.4	F170	S168-F170 VanDerWaalsContact C-N 3.31Å; S168-F170 PolarHBondContact O-N 3.05Å
169	H	82.2	Confident	89.5	Confident	116 Å²	116	42 Å²	42	54%	0.537	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-14.6	179.1	68.7	-95.9	0	0	0	113.9	P167 S171	P167-H169 WeakPolarHBondContact CB-CE1 3.37Å; P167-H169 VanDerWaalsContact CB-ND1 3.26Å; P167-H169 WeakPolarHBondContact CB-ND1 3.35Å; P167-H169 PolarHBondContact O-N 3.14Å; H169-S171 PolarHBondContact O-N 2.94Å
170	F	84.5	Confident	89.4	Confident	65 Å²	65	43.9 Å²	43.9	29%	0.285	23%	0.232	S	C	.	.	S	Bend	trans	-70.1	124.2	176.3	-87.9	-118.2	0	0	0	110.2	L166 P167 S168 Q174 R175	L166-F170 HydrophobicContact CD1-CD1 4.33Å; P167-F170 HydrophobicContact CB-CD2 4.21Å; P167-F170 HydrophobicContact CG-CD2 4.26Å; P167-F170 HydrophobicContact CG-CE2 4.26Å; P167-F170 PolarHBondContact O-N 2.95Å; S168-F170 VanDerWaalsContact C-N 3.31Å; S168-F170 PolarHBondContact O-N 3.05Å; F170-Q174 HydrophobicContact CD1-CB 4.07Å; F170-R175 HydrophobicContact CB-CG 3.98Å; F170-R175 PolarHBondContact O-NE 2.71Å
171	S	89.5	Confident	89.3	Confident	55 Å²	55	45.2 Å²	45.2	39%	0.385	24%	0.24	S	C	.	.			trans	-65.9	156.2	173.6	80.4	0	0	0	0	110.9	H169 A173 Q174 R175	H169-S171 PolarHBondContact O-N 2.94Å; S171-A173 PolarHBondContact O-N 3.22Å; S171-Q174 WeakPolarHBondContact O-CB 3.48Å; S171-Q174 PolarHBondContact O-N 3.25Å; S171-Q174 VanDerWaalsContact O-N 3.12Å; S171-Q174 WeakPolarHBondContact OG-CG 3.5Å; S171-Q174 PolarHBondContact OG-N 3.42Å; S171-Q174 PolarHBondContact OG-OE1 3.4Å; S171-R175 WeakPolarHBondContact O-CG 3.48Å; S171-R175 PolarHBondContact O-N 3.07Å
172	Q	90.1	Very high	89.2	Confident	78 Å²	78	45 Å²	45	36%	0.364	24%	0.238	S	C	.	.	H	α-helix	trans	-59.3	-37.9	178.5	-175.9	57.3	38.8	0	0	111.8	Q174 R175 D176	Q172-Q174 PolarHBondContact O-N 3.26Å; Q172-R175 WeakPolarHBondContact O-CB 3.44Å; Q172-R175 PolarHBondContact O-N 3.36Å; Q172-D176 VanDerWaalsContact NE2-CG 3.3Å; Q172-D176 PolarHBondContact NE2-OD1 3.49Å; Q172-D176 PolarHBondContact NE2-OD2 3.25Å; Q172-D176 VanDerWaalsContact O-CG 3.29Å; Q172-D176 PolarHBondContact O-N 3.45Å
173	A	92.3	Very high	89.3	Confident	69 Å²	69	45.1 Å²	45.1	57%	0.57	24%	0.239	S	C	*	.	H	α-helix	trans	-63.1	-40.8	175.5	0	0	0	0	0	112.5	S171 R175 D176 Q177	S171-A173 PolarHBondContact O-N 3.22Å; A173-R175 VanDerWaalsContact C-N 3.33Å; A173-R175 PolarHBondContact O-N 2.88Å; A173-D176 PolarHBondContact O-N 3.33Å; A173-Q177 WeakPolarHBondContact O-CB 3.44Å; A173-Q177 PolarHBondContact O-N 3.44Å
174	Q	90.6	Very high	89.3	Confident	95 Å²	95	45 Å²	45	44%	0.444	25%	0.245	S	C	.	.	H	α-helix	trans	-65.2	-37.3	174.7	-73.4	170	-28.4	0	0	112	F170 S171 Q172 R178	F170-Q174 HydrophobicContact CD1-CB 4.07Å; S171-Q174 WeakPolarHBondContact O-CB 3.48Å; S171-Q174 PolarHBondContact O-N 3.25Å; S171-Q174 VanDerWaalsContact O-N 3.12Å; S171-Q174 WeakPolarHBondContact OG-CG 3.5Å; S171-Q174 PolarHBondContact OG-N 3.42Å; S171-Q174 PolarHBondContact OG-OE1 3.4Å; Q172-Q174 PolarHBondContact O-N 3.26Å; Q174-R178 VanDerWaalsContact O-CB 3.29Å; Q174-R178 WeakPolarHBondContact O-CB 3.23Å; Q174-R178 PolarHBondContact O-N 2.98Å
175	R	91.5	Very high	89.1	Confident	7 Å²	7	46.2 Å²	46.2	3%	0.026	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-44.2	175.8	-63.9	174.6	-179.7	-156.1	-15.3	111.1	L166 P167 F170 S171 Q172 A173 R178 V179	L166-R175 HydrophobicContact CD1-CB 4.22Å; L166-R175 HydrophobicContact CD1-CG 3.88Å; P167-R175 PolarHBondContact O-NH2 2.99Å; F170-R175 HydrophobicContact CB-CG 3.98Å; F170-R175 PolarHBondContact O-NE 2.71Å; S171-R175 WeakPolarHBondContact O-CG 3.48Å; S171-R175 PolarHBondContact O-N 3.07Å; Q172-R175 WeakPolarHBondContact O-CB 3.44Å; Q172-R175 PolarHBondContact O-N 3.36Å; A173-R175 VanDerWaalsContact C-N 3.33Å; A173-R175 PolarHBondContact O-N 2.88Å; R175-R178 PolarHBondContact O-N 3.48Å; R175-V179 WeakPolarHBondContact O-CG2 3.45Å; R175-V179 PolarHBondContact O-N 3.37Å
176	D	93.5	Very high	89.2	Confident	46 Å²	46	45 Å²	45	25%	0.246	25%	0.246	C	C	.	.	H	α-helix	trans	-69.3	-40.8	-179.5	-65.2	-29.2	0	0	0	111.2	C159 Q172 A173 R178 V179 D180	C159-D176 PolarHBondContact SG-OD1 2.88Å; Q172-D176 VanDerWaalsContact NE2-CG 3.3Å; Q172-D176 PolarHBondContact NE2-OD1 3.49Å; Q172-D176 PolarHBondContact NE2-OD2 3.25Å; Q172-D176 VanDerWaalsContact O-CG 3.29Å; Q172-D176 PolarHBondContact O-N 3.45Å; A173-D176 PolarHBondContact O-N 3.33Å; D176-R178 PolarHBondContact O-N 3.06Å; D176-V179 WeakPolarHBondContact O-CB 3.42Å; D176-V179 PolarHBondContact O-N 2.98Å; D176-D180 PolarHBondContact O-N 3.49Å
177	Q	91.9	Very high	89.3	Confident	119 Å²	119	51.9 Å²	51.9	56%	0.556	27%	0.271	S	S	*	.	H	α-helix	trans	-59	-46.7	171.5	-174.7	176.3	3.7	0	0	111.4	A173 V179 D180 D181	A173-Q177 WeakPolarHBondContact O-CB 3.44Å; A173-Q177 PolarHBondContact O-N 3.44Å; Q177-V179 VanDerWaalsContact C-N 3.27Å; Q177-V179 PolarHBondContact O-N 2.98Å; Q177-D180 PolarHBondContact O-N 3.25Å; Q177-D180 VanDerWaalsContact O-N 3.08Å; Q177-D181 PolarHBondContact O-N 2.86Å
178	R	90.1	Very high	89.8	Confident	28 Å²	28	51 Å²	51	11%	0.106	27%	0.266	C	S	.	.	H	α-helix	trans	-58.5	-38.6	176.7	179	58.3	178.6	162.9	3.9	112.5	F32 L166 Q174 R175 D176 V182 L218 L219	F32-R178 VanDerWaalsContact CZ-CZ 3.5Å; L166-R178 HydrophobicContact CD1-CG 4.33Å; Q174-R178 VanDerWaalsContact O-CB 3.29Å; Q174-R178 WeakPolarHBondContact O-CB 3.23Å; Q174-R178 PolarHBondContact O-N 2.98Å; R175-R178 PolarHBondContact O-N 3.48Å; D176-R178 PolarHBondContact O-N 3.06Å; R178-V182 WeakPolarHBondContact O-CG2 3.45Å; R178-V182 PolarHBondContact O-N 3.44Å; R178-V182 VanDerWaalsContact O-N 3.09Å; R178-L218 PolarHBondContact NH2-O 2.86Å; R178-L219 HydrophobicContact CG-CD2 4.45Å; R178-L219 PolarHBondContact NE-O 3.21Å
179	V	94.7	Very high	90.4	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-65	-45.9	175.3	168.5	0	0	0	0	110.5	R155 L158 A162 R175 D176 Q177 D181 V182 I183 L219	R155-V179 HydrophobicContact CG-CG1 4.15Å; L158-V179 HydrophobicContact CB-CG1 3.78Å; L158-V179 HydrophobicContact CB-CG2 4.24Å; L158-V179 HydrophobicContact CD1-CG1 4.36Å; A162-V179 HydrophobicContact CB-CG2 3.86Å; R175-V179 WeakPolarHBondContact O-CG2 3.45Å; R175-V179 PolarHBondContact O-N 3.37Å; D176-V179 WeakPolarHBondContact O-CB 3.42Å; D176-V179 PolarHBondContact O-N 2.98Å; Q177-V179 VanDerWaalsContact C-N 3.27Å; Q177-V179 PolarHBondContact O-N 2.98Å; V179-D181 VanDerWaalsContact C-N 3.3Å; V179-D181 PolarHBondContact O-N 3.18Å; V179-V182 PolarHBondContact O-N 3.2Å; V179-I183 HydrophobicContact CG1-CD1 3.73Å; V179-I183 HydrophobicContact CG1-CG1 4.39Å; V179-I183 WeakPolarHBondContact O-CB 3.5Å; V179-I183 VanDerWaalsContact O-CG1 3.28Å; V179-I183 WeakPolarHBondContact O-CG1 3.13Å; V179-I183 PolarHBondContact O-N 3.44Å; V179-L219 HydrophobicContact CG2-CD2 3.79Å
180	D	93.9	Very high	90.9	Very high	59 Å²	59	59.4 Å²	59.4	32%	0.316	29%	0.29	S	S	.	.	H	α-helix	trans	-65.7	-34.5	179.8	-66.1	-26	0	0	0	111.7	R155 D176 Q177 I183 A184	R155-D180 IonicContact CZ-OD1 2.81Å; R155-D180 IonicContact CZ-OD2 3.53Å; R155-D180 IonicContact NE-OD1 3.47Å; R155-D180 PolarHBondContact NE-OD1 3.02Å; R155-D180 IonicContact NH2-OD1 3.65Å; R155-D180 PolarHBondContact NH2-OD1 3.37Å; R155-D180 IonicContact NH2-OD2 2.84Å; R155-D180 PolarHBondContact NH2-OD2 3.13Å; D176-D180 PolarHBondContact O-N 3.49Å; Q177-D180 PolarHBondContact O-N 3.25Å; Q177-D180 VanDerWaalsContact O-N 3.08Å; D180-I183 PolarHBondContact O-N 2.85Å; D180-A184 WeakPolarHBondContact O-CB 3.18Å; D180-A184 PolarHBondContact O-N 2.99Å
181	D	90.6	Very high	91.3	Very high	43 Å²	43	56.4 Å²	56.4	23%	0.23	28%	0.277	C	S	.	.	H	α-helix	trans	-63.6	-47.4	173	-60.6	-27.4	0	0	0	111.3	F32 Q177 V179 I183 A184 E185	F32-D181 HydrophobicContact CE2-CB 3.81Å; F32-D181 HydrophobicContact CZ-CB 4.35Å; Q177-D181 PolarHBondContact O-N 2.86Å; V179-D181 VanDerWaalsContact C-N 3.3Å; V179-D181 PolarHBondContact O-N 3.18Å; D181-I183 VanDerWaalsContact C-N 3.35Å; D181-I183 PolarHBondContact O-N 2.92Å; D181-A184 PolarHBondContact O-N 3.05Å; D181-E185 WeakPolarHBondContact O-CB 3.48Å; D181-E185 PolarHBondContact O-N 3.46Å
182	V	91.4	Very high	91.5	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.6	-42.1	176.7	173.1	0	0	0	0	111.2	F32 R178 V179 A184 E185 L186 A215 L218 L219	F32-V182 HydrophobicContact CE1-CG2 4.03Å; F32-V182 HydrophobicContact CZ-CB 4.2Å; F32-V182 HydrophobicContact CZ-CG2 3.51Å; R178-V182 WeakPolarHBondContact O-CG2 3.45Å; R178-V182 PolarHBondContact O-N 3.44Å; R178-V182 VanDerWaalsContact O-N 3.09Å; V179-V182 PolarHBondContact O-N 3.2Å; V182-A184 VanDerWaalsContact C-N 3.3Å; V182-A184 PolarHBondContact O-N 3.24Å; V182-E185 PolarHBondContact O-N 3.45Å; V182-L186 HydrophobicContact CG1-CD1 4.05Å; V182-L186 PolarHBondContact O-N 3.47Å; V182-L186 VanDerWaalsContact O-N 3.1Å; V182-A215 HydrophobicContact CG1-CB 3.57Å; V182-L218 HydrophobicContact CG1-CB 4.5Å; V182-L219 HydrophobicContact CB-CD2 4.43Å; V182-L219 HydrophobicContact CG2-CD2 3.9Å; V182-L219 HydrophobicContact CG2-CG 4.37Å
183	I	93.7	Very high	91.8	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.021	28%	0.276	C	S	.	.	H	α-helix	trans	-62.7	-39.6	178.1	-72.8	171.7	0	0	0	110.6	R155 L158 V179 D180 D181 R187 L188 R189 A192	R155-I183 HydrophobicContact CB-CD1 4.15Å; R155-I183 HydrophobicContact CG-CD1 4.07Å; L158-I183 HydrophobicContact CD1-CD1 4Å; L158-I183 HydrophobicContact CD1-CG1 3.55Å; V179-I183 HydrophobicContact CG1-CD1 3.73Å; V179-I183 HydrophobicContact CG1-CG1 4.39Å; V179-I183 WeakPolarHBondContact O-CB 3.5Å; V179-I183 VanDerWaalsContact O-CG1 3.28Å; V179-I183 WeakPolarHBondContact O-CG1 3.13Å; V179-I183 PolarHBondContact O-N 3.44Å; D180-I183 PolarHBondContact O-N 2.85Å; D181-I183 VanDerWaalsContact C-N 3.35Å; D181-I183 PolarHBondContact O-N 2.92Å; I183-R187 PolarHBondContact O-N 3.23Å; I183-L188 HydrophobicContact CG2-CB 4.06Å; I183-L188 PolarHBondContact O-N 3.21Å; I183-R189 HydrophobicContact CG2-CG 4.43Å; I183-A192 HydrophobicContact CD1-CB 4.21Å; I183-A192 HydrophobicContact CG2-CB 4.14Å
184	A	90.5	Very high	91.9	Very high	35 Å²	35	56.8 Å²	56.8	29%	0.289	27%	0.266	S	S	.	.	H	α-helix	trans	-67.1	-48.3	177.2	0	0	0	0	0	111.7	D180 D181 V182 L186 R187	D180-A184 WeakPolarHBondContact O-CB 3.18Å; D180-A184 PolarHBondContact O-N 2.99Å; D181-A184 PolarHBondContact O-N 3.05Å; V182-A184 VanDerWaalsContact C-N 3.3Å; V182-A184 PolarHBondContact O-N 3.24Å; A184-L186 VanDerWaalsContact C-N 3.33Å; A184-L186 PolarHBondContact O-N 3.32Å; A184-R187 PolarHBondContact O-N 3.2Å
185	E	85.2	Confident	92.1	Very high	27 Å²	27	58 Å²	58	13%	0.126	27%	0.267	C	S	.	.	H	α-helix	trans	-58.9	-43	-178.2	-174.2	63.5	-154.2	0	0	111.9	S29 F32 D181 V182 R187 L249	S29-E185 WeakPolarHBondContact CB-OE2 3.26Å; S29-E185 PolarHBondContact OG-OE1 3.36Å; S29-E185 PolarHBondContact OG-OE2 3.45Å; F32-E185 HydrophobicContact CD2-CB 4.23Å; F32-E185 HydrophobicContact CD2-CG 4.18Å; F32-E185 HydrophobicContact CE2-CB 4.02Å; F32-E185 HydrophobicContact CE2-CG 4.39Å; F32-E185 HydrophobicContact CG-CG 4.37Å; F32-E185 HydrophobicContact CZ-CB 4.47Å; D181-E185 WeakPolarHBondContact O-CB 3.48Å; D181-E185 PolarHBondContact O-N 3.46Å; V182-E185 PolarHBondContact O-N 3.45Å; E185-R187 VanDerWaalsContact C-N 3.26Å; E185-R187 PolarHBondContact O-N 3.36Å; E185-L249 HydrophobicContact CG-CD2 4.11Å
186	L	89.1	Confident	92.2	Very high	2 Å²	2	57.7 Å²	57.7	1%	0.01	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87	8.6	178.7	-66.2	172.9	0	0	0	113.8	V182 A184 L188 R211 I214 A215 L218 T245	V182-L186 HydrophobicContact CG1-CD1 4.05Å; V182-L186 PolarHBondContact O-N 3.47Å; V182-L186 VanDerWaalsContact O-N 3.1Å; A184-L186 VanDerWaalsContact C-N 3.33Å; A184-L186 PolarHBondContact O-N 3.32Å; L186-L188 VanDerWaalsContact C-N 3.27Å; L186-L188 HydrophobicContact CB-CD1 3.95Å; L186-L188 HydrophobicContact CB-CG 4.05Å; L186-L188 HydrophobicContact CD1-CD1 4.43Å; L186-L188 PolarHBondContact O-N 3.46Å; L186-R211 WeakPolarHBondContact CD1-O 3.14Å; L186-R211 WeakPolarHBondContact O-CD 3.33Å; L186-I214 HydrophobicContact CD1-CG2 4.42Å; L186-I214 HydrophobicContact CD2-CG2 4.28Å; L186-A215 HydrophobicContact CD1-CB 3.35Å; L186-L218 HydrophobicContact CD1-CD1 4.07Å; L186-L218 HydrophobicContact CD2-CD1 4.16Å; L186-L218 HydrophobicContact CG-CD1 4.3Å; L186-T245 HydrophobicContact CD2-CG2 3.84Å
187	R	89.1	Confident	92.1	Very high	151 Å²	151	55.7 Å²	55.7	57%	0.57	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	40.9	178.4	-57.8	178.9	171.5	-171.4	-7.9	113.1	I183 A184 E185 R248	I183-R187 PolarHBondContact O-N 3.23Å; A184-R187 PolarHBondContact O-N 3.2Å; E185-R187 VanDerWaalsContact C-N 3.26Å; E185-R187 PolarHBondContact O-N 3.36Å; R187-R248 VanDerWaalsContact NH2-NH1 3.14Å
188	L	92.1	Very high	91.8	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	24%	0.244	C	C	.	.			trans	-97.7	12.5	-180	-65.7	172	0	0	0	113.2	I183 L186 Q190 C191 A192 E208 R211 V212 A215	I183-L188 HydrophobicContact CG2-CB 4.06Å; I183-L188 PolarHBondContact O-N 3.21Å; L186-L188 VanDerWaalsContact C-N 3.27Å; L186-L188 HydrophobicContact CB-CD1 3.95Å; L186-L188 HydrophobicContact CB-CG 4.05Å; L186-L188 HydrophobicContact CD1-CD1 4.43Å; L186-L188 PolarHBondContact O-N 3.46Å; L188-Q190 VanDerWaalsContact C-N 3.3Å; L188-Q190 PolarHBondContact O-N 3.35Å; L188-C191 WeakPolarHBondContact CD2-SG 3.44Å; L188-C191 CarbonylContact O-C 3.52Å; L188-C191 PolarHBondContact O-N 3.48Å; L188-C191 PolarHBondContact O-SG 3.13Å; L188-C191 VanDerWaalsContact O-SG 3.4Å; L188-A192 PolarHBondContact O-N 2.97Å; L188-E208 HydrophobicContact CD2-CB 4.37Å; L188-E208 HydrophobicContact CD2-CG 4.49Å; L188-R211 HydrophobicContact CD1-CB 4.25Å; L188-R211 HydrophobicContact CD2-CB 3.88Å; L188-R211 HydrophobicContact CG-CB 4.34Å; L188-V212 HydrophobicContact CD1-CG2 3.89Å; L188-V212 HydrophobicContact CD2-CG2 4.3Å; L188-A215 HydrophobicContact CD1-CB 4.27Å
189	R	92.2	Very high	91.4	Very high	179 Å²	179	57.8 Å²	57.8	68%	0.675	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-42.2	-176.1	-72.4	-86.3	-175.2	129.5	-0.3	113	I183	I183-R189 HydrophobicContact CG2-CG 4.43Å
190	Q	92	Very high	90.8	Very high	184 Å²	184	68.1 Å²	68.1	86%	0.86	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-32.5	-177.4	-64	177.8	-0.6	0	0	112.7	L188	L188-Q190 VanDerWaalsContact C-N 3.3Å; L188-Q190 PolarHBondContact O-N 3.35Å
191	C	93.1	Very high	90.3	Very high	3 Å²	3	67.2 Å²	67.2	2%	0.02	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.6	6.6	-179.4	50.9	0	0	0	0	113.8	V154 L188 H193 T194 V204 E208	V154-C191 WeakPolarHBondContact CB-O 3.17Å; V154-C191 VanDerWaalsContact CG2-O 3.22Å; V154-C191 WeakPolarHBondContact CG2-O 3.36Å; L188-C191 WeakPolarHBondContact CD2-SG 3.44Å; L188-C191 CarbonylContact O-C 3.52Å; L188-C191 PolarHBondContact O-N 3.48Å; L188-C191 PolarHBondContact O-SG 3.13Å; L188-C191 VanDerWaalsContact O-SG 3.4Å; C191-H193 PolarHBondContact O-N 3.49Å; C191-H193 VanDerWaalsContact O-N 3.14Å; C191-T194 VanDerWaalsContact CA-OG1 3.28Å; C191-T194 WeakPolarHBondContact CA-OG1 3.29Å; C191-T194 VanDerWaalsContact CB-OG1 3.28Å; C191-T194 WeakPolarHBondContact CB-OG1 3.44Å; C191-T194 PolarHBondContact O-N 2.85Å; C191-T194 VanDerWaalsContact O-N 3.12Å; C191-T194 PolarHBondContact O-OG1 3.48Å; C191-V204 HydrophobicContact CB-CG1 3.95Å; C191-E208 PolarHBondContact SG-OE1 3.27Å; C191-E208 VanDerWaalsContact SG-OE1 3.42Å
192	A	94.3	Very high	90.3	Very high	8 Å²	8	76.6 Å²	76.6	7%	0.066	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-36.2	-178.7	0	0	0	0	0	113.2	R155 I183 L188	R155-A192 WeakPolarHBondContact CB-O 3.23Å; R155-A192 PolarHBondContact N-O 2.83Å; I183-A192 HydrophobicContact CD1-CB 4.21Å; I183-A192 HydrophobicContact CG2-CB 4.14Å; L188-A192 PolarHBondContact O-N 2.97Å
193	H	95.5	Very high	90.3	Very high	141 Å²	141	78.2 Å²	78.2	65%	0.653	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	5.1	-179.3	-63.2	-62.9	0	0	0	114.1	T153 C191	T153-H193 WeakPolarHBondContact CG2-O 3.37Å; C191-H193 PolarHBondContact O-N 3.49Å; C191-H193 VanDerWaalsContact O-N 3.14Å
194	T	95.3	Very high	90.3	Very high	61 Å²	61	79 Å²	79	37%	0.374	36%	0.364	S	S	.	.	S	Bend	trans	-86.2	149.9	174.7	59.1	0	0	0	0	110.1	T153 V154 C191 V204	T153-T194 WeakPolarHBondContact CA-O 3.49Å; T153-T194 WeakPolarHBondContact CB-O 3.43Å; V154-T194 PolarHBondContact N-O 3.38Å; V154-T194 VanDerWaalsContact N-O 3.12Å; C191-T194 VanDerWaalsContact CA-OG1 3.28Å; C191-T194 WeakPolarHBondContact CA-OG1 3.29Å; C191-T194 VanDerWaalsContact CB-OG1 3.28Å; C191-T194 WeakPolarHBondContact CB-OG1 3.44Å; C191-T194 PolarHBondContact O-N 2.85Å; C191-T194 VanDerWaalsContact O-N 3.12Å; C191-T194 PolarHBondContact O-OG1 3.48Å; T194-V204 VanDerWaalsContact OG1-CG1 3.28Å; T194-V204 WeakPolarHBondContact OG1-CG1 3.37Å
195	R	94.8	Very high	90.3	Very high	119 Å²	119	80.1 Å²	80.1	45%	0.449	37%	0.37	S	S	.	.	B	Isolated β-bridge	trans	-67	140.7	175.8	-67.6	-179.2	-179	-177.2	-2.2	109.6	L152 G197 G203 V204	L152-R195 WeakPolarHBondContact O-CA 3.39Å; R195-G197 VanDerWaalsContact C-N 3.34Å; R195-G203 CarbonylContact O-C 3.53Å; R195-G203 WeakPolarHBondContact O-CA 3.41Å; R195-V204 PolarHBondContact O-N 3.11Å; R195-V204 VanDerWaalsContact O-N 3.14Å
196	V	94.1	Very high	90.4	Very high	1 Å²	1	80.6 Å²	80.6	1%	0.006	38%	0.382	C	S	.	.			trans	-63.5	-44.3	177	179.2	0	0	0	0	110.3	L148 L152 V154 G203 V204 R209	L148-V196 HydrophobicContact CB-CG1 3.84Å; L148-V196 HydrophobicContact CD1-CG1 3.8Å; L148-V196 HydrophobicContact CG-CG1 4.49Å; L152-V196 PolarHBondContact O-N 2.94Å; V154-V196 HydrophobicContact CG2-CG2 4.18Å; V196-G203 WeakPolarHBondContact O-CA 3.27Å; V196-V204 HydrophobicContact CG1-CG2 4.45Å; V196-V204 WeakPolarHBondContact O-CG2 3.49Å; V196-V204 PolarHBondContact O-N 2.89Å; V196-V204 VanDerWaalsContact O-N 3.14Å; V196-R209 HydrophobicContact CG1-CG 4.45Å
197	G	90.4	Very high	90.3	Very high	4 Å²	4	80.9 Å²	80.9	4%	0.041	39%	0.385	C	S	.	.			trans	69.9	-177.3	-179.1	0	0	0	0	0	113.7	P150 R195 V201	P150-G197 WeakPolarHBondContact O-CA 3.5Å; P150-G197 PolarHBondContact O-N 3.22Å; R195-G197 VanDerWaalsContact C-N 3.34Å; G197-V201 CarbonylContact C-O 3.58Å; G197-V201 WeakPolarHBondContact CA-O 3.26Å
198	N	85.4	Confident	90.4	Very high	59 Å²	59	75.6 Å²	75.6	32%	0.316	37%	0.367	S	S	.	.			trans	-148.7	-163.8	173.9	63.2	7.3	0	0	0	108.7	P150 Y200 V201	P150-N198 HydrophobicContact CB-CB 3.95Å; N198-Y200 PolarHBondContact O-N 3.5Å; N198-Y200 PolarHBondContact OD1-N 3.03Å; N198-V201 PolarHBondContact N-O 3.31Å; N198-V201 WeakPolarHBondContact OD1-CB 3.49Å; N198-V201 PolarHBondContact OD1-N 2.96Å
199	D	82.1	Confident	90.4	Very high	133 Å²	133	78.7 Å²	78.7	71%	0.711	38%	0.379	S	S	*	.	S	Bend	trans	-69.2	-18.8	-177.2	-51.8	-33.5	0	0	0	112.9	R209	D199-R209 IonicContact OD1-NH1 3.96Å
200	Y	81.1	Confident	90.4	Very high	217 Å²	217	70.4 Å²	70.4	85%	0.851	35%	0.347	S	S	*	.	S	Bend	trans	-102	-29.7	178.7	-54.2	-70.7	0	0	0	113.3	N198	N198-Y200 PolarHBondContact O-N 3.5Å; N198-Y200 PolarHBondContact OD1-N 3.03Å
201	V	85.1	Confident	90.4	Very high	41 Å²	41	63.5 Å²	63.5	25%	0.248	31%	0.313	C	S	.	.	S	Bend	trans	-111.4	114.1	-176.6	-179.3	0	0	0	0	108.5	G197 N198 G203	G197-V201 CarbonylContact C-O 3.58Å; G197-V201 WeakPolarHBondContact CA-O 3.26Å; N198-V201 PolarHBondContact N-O 3.31Å; N198-V201 WeakPolarHBondContact OD1-CB 3.49Å; N198-V201 PolarHBondContact OD1-N 2.96Å; V201-G203 PolarHBondContact O-N 3.23Å
202	R	89.3	Confident	90.5	Very high	240 Å²	240	63.3 Å²	63.3	91%	0.906	31%	0.312	S	S	*	.			trans	-54.3	129.2	176.1	-175.3	179.3	177.4	-177.3	0.3	111
203	G	91.7	Very high	90.4	Very high	34 Å²	34	63.7 Å²	63.7	35%	0.351	31%	0.314	S	S	.	.			trans	-146.4	-139.2	177.1	0	0	0	0	0	112.4	R195 V196 V201	R195-G203 CarbonylContact O-C 3.53Å; R195-G203 WeakPolarHBondContact O-CA 3.41Å; V196-G203 WeakPolarHBondContact O-CA 3.27Å; V201-G203 PolarHBondContact O-N 3.23Å
204	V	93.6	Very high	90.3	Very high	19 Å²	19	57 Å²	57	12%	0.115	28%	0.283	C	S	.	.	S	Bend	trans	-69.6	160	176.9	-62.4	0	0	0	0	111.5	V154 C191 T194 R195 V196 E208 R209	V154-V204 HydrophobicContact CG2-CG1 3.87Å; C191-V204 HydrophobicContact CB-CG1 3.95Å; T194-V204 VanDerWaalsContact OG1-CG1 3.28Å; T194-V204 WeakPolarHBondContact OG1-CG1 3.37Å; R195-V204 PolarHBondContact O-N 3.11Å; R195-V204 VanDerWaalsContact O-N 3.14Å; V196-V204 HydrophobicContact CG1-CG2 4.45Å; V196-V204 WeakPolarHBondContact O-CG2 3.49Å; V196-V204 PolarHBondContact O-N 2.89Å; V196-V204 VanDerWaalsContact O-N 3.14Å; V204-E208 HydrophobicContact CB-CB 3.86Å; V204-E208 HydrophobicContact CG2-CB 4.22Å; V204-R209 HydrophobicContact CG2-CB 3.89Å
205	S	90.6	Very high	90.2	Very high	60 Å²	60	54 Å²	54	42%	0.42	27%	0.265	S	S	.	.			trans	-64.5	159.6	173.5	63.9	0	0	0	0	111.7	G207 E208 R209	S205-G207 VanDerWaalsContact C-N 3.29Å; S205-G207 PolarHBondContact O-N 3.04Å; S205-E208 WeakPolarHBondContact CB-OE2 3.39Å; S205-E208 PolarHBondContact N-OE2 3.4Å; S205-E208 PolarHBondContact O-N 3.29Å; S205-E208 VanDerWaalsContact O-N 3.14Å; S205-E208 WeakPolarHBondContact OG-CB 3.12Å; S205-E208 WeakPolarHBondContact OG-CG 3.27Å; S205-E208 PolarHBondContact OG-N 3.4Å; S205-E208 PolarHBondContact OG-OE2 2.84Å; S205-R209 WeakPolarHBondContact O-CB 3.5Å; S205-R209 PolarHBondContact O-N 2.82Å
206	G	87.5	Confident	90.2	Very high	37 Å²	37	49.3 Å²	49.3	38%	0.381	25%	0.25	S	C	.	.	H	α-helix	trans	-56.7	-40.4	178.8	0	0	0	0	0	113.3	R209 R210	G206-R209 WeakPolarHBondContact O-CB 3.34Å; G206-R209 PolarHBondContact O-N 2.8Å; G206-R210 PolarHBondContact O-N 3.44Å
207	G	87.9	Confident	90	Very high	7 Å²	7	49.9 Å²	49.9	7%	0.072	25%	0.252	C	S	.	.	H	α-helix	trans	-69.4	-35.2	175.8	0	0	0	0	0	114.8	S205 R211	S205-G207 VanDerWaalsContact C-N 3.29Å; S205-G207 PolarHBondContact O-N 3.04Å; G207-R211 WeakPolarHBondContact O-CG 3.37Å; G207-R211 PolarHBondContact O-N 3.1Å; G207-R211 VanDerWaalsContact O-N 3.13Å
208	E	91.3	Very high	90	Very high	41 Å²	41	49.7 Å²	49.7	19%	0.192	25%	0.25	C	S	.	.	H	α-helix	trans	-67.3	-43.6	170.6	-72.4	168.6	138	0	0	111.1	L188 C191 V204 S205 R210 R211 V212	L188-E208 HydrophobicContact CD2-CB 4.37Å; L188-E208 HydrophobicContact CD2-CG 4.49Å; C191-E208 PolarHBondContact SG-OE1 3.27Å; C191-E208 VanDerWaalsContact SG-OE1 3.42Å; V204-E208 HydrophobicContact CB-CB 3.86Å; V204-E208 HydrophobicContact CG2-CB 4.22Å; S205-E208 WeakPolarHBondContact CB-OE2 3.39Å; S205-E208 PolarHBondContact N-OE2 3.4Å; S205-E208 PolarHBondContact O-N 3.29Å; S205-E208 VanDerWaalsContact O-N 3.14Å; S205-E208 WeakPolarHBondContact OG-CB 3.12Å; S205-E208 WeakPolarHBondContact OG-CG 3.27Å; S205-E208 PolarHBondContact OG-N 3.4Å; S205-E208 PolarHBondContact OG-OE2 2.84Å; E208-R210 VanDerWaalsContact C-N 3.28Å; E208-R210 PolarHBondContact O-N 2.84Å; E208-R211 CarbonylContact O-C 3.6Å; E208-R211 WeakPolarHBondContact O-CB 3.42Å; E208-R211 PolarHBondContact O-N 3.08Å; E208-R211 VanDerWaalsContact O-N 3.11Å; E208-V212 VanDerWaalsContact O-CG2 3.32Å; E208-V212 WeakPolarHBondContact O-CG2 3.5Å; E208-V212 PolarHBondContact O-N 3.02Å
209	R	92.1	Very high	90.2	Very high	64 Å²	64	46.9 Å²	46.9	24%	0.242	24%	0.235	C	C	.	.	H	α-helix	trans	-56	-44.3	175.7	-170.5	166.9	62.8	-168.9	4.5	111.2	D146 L148 V196 D199 V204 S205 G206 R211 V212 S213	D146-R209 HydrophobicContact CB-CG 4Å; L148-R209 HydrophobicContact CD1-CG 4.24Å; V196-R209 HydrophobicContact CG1-CG 4.45Å; D199-R209 IonicContact OD1-NH1 3.96Å; V204-R209 HydrophobicContact CG2-CB 3.89Å; S205-R209 WeakPolarHBondContact O-CB 3.5Å; S205-R209 PolarHBondContact O-N 2.82Å; G206-R209 WeakPolarHBondContact O-CB 3.34Å; G206-R209 PolarHBondContact O-N 2.8Å; R209-R211 PolarHBondContact O-N 3.01Å; R209-V212 WeakPolarHBondContact O-CB 3.48Å; R209-V212 PolarHBondContact O-N 2.88Å; R209-V212 VanDerWaalsContact O-N 3.09Å; R209-S213 PolarHBondContact O-N 2.95Å; R209-S213 PolarHBondContact O-OG 3.13Å
210	R	91.4	Very high	90.4	Very high	5 Å²	5	42.7 Å²	42.7	2%	0.019	21%	0.209	C	C	.	.	H	α-helix	trans	-59.6	-45.4	175.5	-169.8	60.5	169.2	168.8	-1.4	112.5	R143 Q144 D146 G206 E208 V212 S213 I214 D228 E229 P230 L234 L242	R143-R210 PolarHBondContact O-NH1 3.4Å; R143-R210 PolarHBondContact O-NH2 3.21Å; R143-R210 VanDerWaalsContact O-NH2 3.09Å; Q144-R210 PolarHBondContact O-NH1 3.32Å; D146-R210 WeakPolarHBondContact OD1-CD 3.22Å; D146-R210 IonicContact OD1-CZ 2.73Å; D146-R210 IonicContact OD1-NH1 3.41Å; D146-R210 PolarHBondContact OD1-NH1 2.92Å; D146-R210 WeakPolarHBondContact OD2-CA 3.37Å; D146-R210 VanDerWaalsContact OD2-CD 3.29Å; D146-R210 WeakPolarHBondContact OD2-CD 3.31Å; D146-R210 IonicContact OD2-NH1 2.92Å; G206-R210 PolarHBondContact O-N 3.44Å; E208-R210 VanDerWaalsContact C-N 3.28Å; E208-R210 PolarHBondContact O-N 2.84Å; R210-V212 VanDerWaalsContact C-N 3.31Å; R210-V212 PolarHBondContact O-N 3.45Å; R210-S213 WeakPolarHBondContact O-CB 3.37Å; R210-S213 PolarHBondContact O-N 3.13Å; R210-I214 WeakPolarHBondContact O-CG1 3.49Å; R210-I214 PolarHBondContact O-N 3.39Å; R210-I214 VanDerWaalsContact O-N 3.15Å; R210-D228 PolarHBondContact NH2-O 3.39Å; R210-E229 PolarHBondContact NH2-O 3.37Å; R210-P230 PolarHBondContact NE-O 2.9Å; R210-L234 HydrophobicContact CB-CD2 4.5Å; R210-L234 HydrophobicContact CG-CD1 4.4Å; R210-L242 HydrophobicContact CG-CD2 4.11Å
211	R	92.3	Very high	90.6	Very high	39 Å²	39	34.2 Å²	34.2	15%	0.147	18%	0.179	C	C	.	.	H	α-helix	trans	-62.9	-36.7	174.2	-73.5	-169.9	-62.8	-102.7	4.1	111.8	L186 L188 G207 E208 R209 I214 A215 L242	L186-R211 WeakPolarHBondContact CD1-O 3.14Å; L186-R211 WeakPolarHBondContact O-CD 3.33Å; L188-R211 HydrophobicContact CD1-CB 4.25Å; L188-R211 HydrophobicContact CD2-CB 3.88Å; L188-R211 HydrophobicContact CG-CB 4.34Å; G207-R211 WeakPolarHBondContact O-CG 3.37Å; G207-R211 PolarHBondContact O-N 3.1Å; G207-R211 VanDerWaalsContact O-N 3.13Å; E208-R211 CarbonylContact O-C 3.6Å; E208-R211 WeakPolarHBondContact O-CB 3.42Å; E208-R211 PolarHBondContact O-N 3.08Å; E208-R211 VanDerWaalsContact O-N 3.11Å; R209-R211 PolarHBondContact O-N 3.01Å; R211-I214 PolarHBondContact O-N 3.45Å; R211-A215 WeakPolarHBondContact O-CB 3.28Å; R211-A215 PolarHBondContact O-N 3.3Å; R211-L242 HydrophobicContact CG-CD1 3.99Å
212	V	94.3	Very high	90.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.7	-40.4	174.8	177.4	0	0	0	0	111.5	L148 V154 L188 E208 R209 R210 I214 A215 V216	L148-V212 HydrophobicContact CD1-CB 4.1Å; L148-V212 HydrophobicContact CD1-CG1 3.66Å; V154-V212 HydrophobicContact CB-CG2 4.34Å; V154-V212 HydrophobicContact CG1-CG1 4.33Å; V154-V212 HydrophobicContact CG1-CG2 3.62Å; V154-V212 HydrophobicContact CG2-CG2 3.83Å; L188-V212 HydrophobicContact CD1-CG2 3.89Å; L188-V212 HydrophobicContact CD2-CG2 4.3Å; E208-V212 VanDerWaalsContact O-CG2 3.32Å; E208-V212 WeakPolarHBondContact O-CG2 3.5Å; E208-V212 PolarHBondContact O-N 3.02Å; R209-V212 WeakPolarHBondContact O-CB 3.48Å; R209-V212 PolarHBondContact O-N 2.88Å; R209-V212 VanDerWaalsContact O-N 3.09Å; R210-V212 VanDerWaalsContact C-N 3.31Å; R210-V212 PolarHBondContact O-N 3.45Å; V212-I214 VanDerWaalsContact C-N 3.3Å; V212-I214 PolarHBondContact O-N 3.2Å; V212-A215 VanDerWaalsContact O-CB 3.26Å; V212-A215 WeakPolarHBondContact O-CB 3.47Å; V212-A215 PolarHBondContact O-N 2.94Å; V212-A215 VanDerWaalsContact O-N 3.13Å; V212-V216 WeakPolarHBondContact O-CG2 3.44Å; V212-V216 PolarHBondContact O-N 3.43Å
213	S	92.9	Very high	90.5	Very high	15 Å²	15	21 Å²	21	11%	0.105	13%	0.126	C	C	.	.	H	α-helix	trans	-60.5	-39.6	173.7	-61.2	0	0	0	0	112.4	D146 R209 R210	D146-S213 WeakPolarHBondContact CB-OG 3.42Å; D146-S213 VanDerWaalsContact CG-OG 3.23Å; D146-S213 WeakPolarHBondContact OD1-CB 3.36Å; D146-S213 PolarHBondContact OD1-OG 3.28Å; R209-S213 PolarHBondContact O-N 2.95Å; R209-S213 PolarHBondContact O-OG 3.13Å; R210-S213 WeakPolarHBondContact O-CB 3.37Å; R210-S213 PolarHBondContact O-N 3.13Å
214	I	93.3	Very high	90.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-67.1	-41.4	173.8	-63.1	165.9	0	0	0	110.3	V142 L186 R210 R211 V212 V216 Q217 L218 L227 L242	V142-I214 HydrophobicContact CG1-CG1 4.04Å; V142-I214 HydrophobicContact CG2-CG1 4.11Å; L186-I214 HydrophobicContact CD1-CG2 4.42Å; L186-I214 HydrophobicContact CD2-CG2 4.28Å; R210-I214 WeakPolarHBondContact O-CG1 3.49Å; R210-I214 PolarHBondContact O-N 3.39Å; R210-I214 VanDerWaalsContact O-N 3.15Å; R211-I214 PolarHBondContact O-N 3.45Å; V212-I214 VanDerWaalsContact C-N 3.3Å; V212-I214 PolarHBondContact O-N 3.2Å; I214-V216 VanDerWaalsContact C-N 3.32Å; I214-V216 PolarHBondContact O-N 3.18Å; I214-Q217 PolarHBondContact O-N 3.34Å; I214-Q217 VanDerWaalsContact O-N 3.11Å; I214-L218 HydrophobicContact CG2-CD1 3.84Å; I214-L218 HydrophobicContact CG2-CG 4.11Å; I214-L218 WeakPolarHBondContact O-CG 3.21Å; I214-L218 PolarHBondContact O-N 3.12Å; I214-L227 HydrophobicContact CD1-CD2 3.75Å; I214-L227 HydrophobicContact CG1-CD2 3.86Å; I214-L242 HydrophobicContact CD1-CD1 3.61Å; I214-L242 HydrophobicContact CD1-CD2 4.39Å; I214-L242 HydrophobicContact CD1-CG 4.5Å
215	A	93.6	Very high	90.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-56.6	-44.1	177.2	0	0	0	0	0	112.1	L158 V182 L186 L188 R211 V212 Q217 L218 L219	L158-A215 HydrophobicContact CD1-CB 4.12Å; L158-A215 HydrophobicContact CD2-CB 3.59Å; L158-A215 HydrophobicContact CG-CB 4.49Å; V182-A215 HydrophobicContact CG1-CB 3.57Å; L186-A215 HydrophobicContact CD1-CB 3.35Å; L188-A215 HydrophobicContact CD1-CB 4.27Å; R211-A215 WeakPolarHBondContact O-CB 3.28Å; R211-A215 PolarHBondContact O-N 3.3Å; V212-A215 VanDerWaalsContact O-CB 3.26Å; V212-A215 WeakPolarHBondContact O-CB 3.47Å; V212-A215 PolarHBondContact O-N 2.94Å; V212-A215 VanDerWaalsContact O-N 3.13Å; A215-Q217 PolarHBondContact O-N 3.42Å; A215-L218 PolarHBondContact O-N 2.87Å; A215-L218 VanDerWaalsContact O-N 3.14Å; A215-L219 WeakPolarHBondContact O-CG 3.42Å; A215-L219 PolarHBondContact O-N 3.37Å
216	V	93.4	Very high	90.7	Very high	20 Å²	20	15.6 Å²	15.6	12%	0.121	8%	0.083	C	C	.	.	H	α-helix	trans	-53.6	-43.8	176.4	164.6	0	0	0	0	111.1	L148 L158 V161 V212 I214	L148-V216 HydrophobicContact CD2-CG2 4.31Å; L158-V216 HydrophobicContact CD2-CG2 3.96Å; V161-V216 HydrophobicContact CG1-CB 4.46Å; V161-V216 HydrophobicContact CG1-CG1 3.82Å; V161-V216 HydrophobicContact CG2-CG1 4.13Å; V161-V216 HydrophobicContact CG2-CG2 4.25Å; V212-V216 WeakPolarHBondContact O-CG2 3.44Å; V212-V216 PolarHBondContact O-N 3.43Å; I214-V216 VanDerWaalsContact C-N 3.32Å; I214-V216 PolarHBondContact O-N 3.18Å
217	Q	91.3	Very high	91	Very high	12 Å²	12	13.9 Å²	13.9	6%	0.056	7%	0.065	C	C	.	.	H	α-helix	trans	-77.4	-30.5	179.6	-62.7	-58.6	-26.6	0	0	113.2	A140 V142 I214 A215 L219 W220 P222 L225 D477	A140-Q217 HydrophobicContact CB-CB 3.98Å; V142-Q217 HydrophobicContact CG2-CB 4.24Å; V142-Q217 HydrophobicContact CG2-CG 3.83Å; I214-Q217 PolarHBondContact O-N 3.34Å; I214-Q217 VanDerWaalsContact O-N 3.11Å; A215-Q217 PolarHBondContact O-N 3.42Å; Q217-L219 VanDerWaalsContact C-N 3.32Å; Q217-L219 PolarHBondContact O-N 3.02Å; Q217-W220 PolarHBondContact O-NE1 3.36Å; Q217-P222 WeakPolarHBondContact O-CD 3.45Å; Q217-L225 HydrophobicContact CB-CD1 4.45Å; Q217-D477 PolarHBondContact NE2-OD2 3.1Å
218	L	90.4	Very high	91.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-74.4	-18	179.3	-71	179.9	0	0	0	114.1	R178 V182 L186 I214 A215 W220 N221 P222 L225 L249	R178-L218 PolarHBondContact NH2-O 2.86Å; V182-L218 HydrophobicContact CG1-CB 4.5Å; L186-L218 HydrophobicContact CD1-CD1 4.07Å; L186-L218 HydrophobicContact CD2-CD1 4.16Å; L186-L218 HydrophobicContact CG-CD1 4.3Å; I214-L218 HydrophobicContact CG2-CD1 3.84Å; I214-L218 HydrophobicContact CG2-CG 4.11Å; I214-L218 WeakPolarHBondContact O-CG 3.21Å; I214-L218 PolarHBondContact O-N 3.12Å; A215-L218 PolarHBondContact O-N 2.87Å; A215-L218 VanDerWaalsContact O-N 3.14Å; L218-W220 VanDerWaalsContact C-N 3.25Å; L218-W220 PolarHBondContact O-N 2.92Å; L218-N221 PolarHBondContact O-N 2.96Å; L218-P222 HydrophobicContact CD2-CG 4.33Å; L218-L225 HydrophobicContact CD2-CD2 4.22Å; L218-L249 HydrophobicContact CD1-CD1 3.73Å; L218-L249 HydrophobicContact CD1-CD2 4.26Å; L218-L249 HydrophobicContact CD2-CD1 4.38Å
219	L	89.7	Confident	91.2	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-39.4	-176.7	-80.6	166.3	0	0	0	113.5	L158 V161 A162 R178 V179 V182 A215 Q217 N221	L158-L219 HydrophobicContact CB-CD1 4.19Å; L158-L219 HydrophobicContact CD2-CD1 3.86Å; L158-L219 HydrophobicContact CD2-CG 4.42Å; L158-L219 WeakPolarHBondContact O-CD1 3.21Å; V161-L219 HydrophobicContact CB-CD1 3.82Å; V161-L219 HydrophobicContact CG1-CD1 3.49Å; V161-L219 VanDerWaalsContact CG1-CD1 3.49Å; A162-L219 HydrophobicContact CB-CD1 4.32Å; A162-L219 HydrophobicContact CB-CD2 4.28Å; R178-L219 HydrophobicContact CG-CD2 4.45Å; R178-L219 PolarHBondContact NE-O 3.21Å; V179-L219 HydrophobicContact CG2-CD2 3.79Å; V182-L219 HydrophobicContact CB-CD2 4.43Å; V182-L219 HydrophobicContact CG2-CD2 3.9Å; V182-L219 HydrophobicContact CG2-CG 4.37Å; A215-L219 WeakPolarHBondContact O-CG 3.42Å; A215-L219 PolarHBondContact O-N 3.37Å; Q217-L219 VanDerWaalsContact C-N 3.32Å; Q217-L219 PolarHBondContact O-N 3.02Å; L219-N221 VanDerWaalsContact C-N 3.32Å
220	W	84.8	Confident	91.2	Very high	45 Å²	45	10.1 Å²	10.1	17%	0.17	5%	0.049	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.3	8.8	-179	63.1	-86.1	0	0	0	114.4	K137 A140 R165 Q217 L218 P222	K137-W220 VanDerWaalsContact O-CZ3 3.25Å; K137-W220 WeakPolarHBondContact O-CZ3 3.47Å; A140-W220 HydrophobicContact CB-CH2 4.47Å; A140-W220 HydrophobicContact CB-CZ2 3.69Å; R165-W220 HydrophobicContact CB-CB 4.41Å; R165-W220 VanDerWaalsContact NH1-CE2 3.34Å; Q217-W220 PolarHBondContact O-NE1 3.36Å; L218-W220 VanDerWaalsContact C-N 3.25Å; L218-W220 PolarHBondContact O-N 2.92Å; W220-P222 HydrophobicContact CD2-CB 4.37Å; W220-P222 HydrophobicContact CE3-CB 4.21Å; W220-P222 HydrophobicContact CH2-CB 3.58Å; W220-P222 HydrophobicContact CZ2-CB 3.73Å; W220-P222 HydrophobicContact CZ2-CG 4.41Å; W220-P222 HydrophobicContact CZ3-CB 3.81Å
221	N	85.6	Confident	91.1	Very high	39 Å²	39	11 Å²	11	21%	0.209	6%	0.055	C	C	.	.			trans	54.5	60.5	177.6	-160.1	20.1	0	0	0	114.4	Y34 L218 L219 R254	Y34-N221 WeakPolarHBondContact CE2-O 3.23Å; L218-N221 PolarHBondContact O-N 2.96Å; L219-N221 VanDerWaalsContact C-N 3.32Å; N221-R254 PolarHBondContact OD1-NH2 2.92Å
222	P	87.4	Confident	90.8	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.006	7%	0.07	C	C	.	.			trans	-63.2	143.9	176.8	28.7	-36.8	0	0	0	112	A140 Q217 L218 W220	A140-P222 HydrophobicContact CB-CB 3.55Å; A140-P222 HydrophobicContact CB-CG 3.5Å; A140-P222 VanDerWaalsContact CB-CG 3.5Å; Q217-P222 WeakPolarHBondContact O-CD 3.45Å; L218-P222 HydrophobicContact CD2-CG 4.33Å; W220-P222 HydrophobicContact CD2-CB 4.37Å; W220-P222 HydrophobicContact CE3-CB 4.21Å; W220-P222 HydrophobicContact CH2-CB 3.58Å; W220-P222 HydrophobicContact CZ2-CB 3.73Å; W220-P222 HydrophobicContact CZ2-CG 4.41Å; W220-P222 HydrophobicContact CZ3-CB 3.81Å
223	G	86	Confident	90.3	Very high	3 Å²	3	16.2 Å²	16.2	3%	0.031	11%	0.11	C	C	.	.	S	Bend	trans	-83.2	-25.4	171.3	0	0	0	0	0	113.4	N39 R254 L255	N39-G223 WeakPolarHBondContact ND2-CA 3.49Å; G223-R254 WeakPolarHBondContact O-CA 3.21Å; G223-L255 PolarHBondContact O-N 3.39Å
224	I	91.4	Very high	89.9	Confident	0 Å²	0	17 Å²	17	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	125	176.1	-58.7	169	0	0	0	109	N39 I125 I139 A140 I226 L255	N39-I224 HydrophobicContact CB-CD1 4.09Å; N39-I224 HydrophobicContact CB-CG1 3.83Å; I125-I224 HydrophobicContact CG2-CD1 3.8Å; I139-I224 HydrophobicContact CB-CG2 4.48Å; I139-I224 HydrophobicContact CD1-CG2 4.47Å; I139-I224 HydrophobicContact CG1-CB 4.03Å; I139-I224 HydrophobicContact CG1-CD1 4.03Å; I139-I224 HydrophobicContact CG1-CG2 3.93Å; I139-I224 HydrophobicContact CG2-CG2 4.23Å; A140-I224 PolarHBondContact N-O 3.13Å; I224-I226 HydrophobicContact CG2-CG1 4.28Å; I224-L255 WeakPolarHBondContact CA-O 3.31Å; I224-L255 HydrophobicContact CG1-CB 4.18Å; I224-L255 HydrophobicContact CG2-CD2 4.05Å
225	L	93.4	Very high	89.6	Confident	0 Å²	0	21.2 Å²	21.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	121.3	177.8	-176.5	66.8	0	0	0	110.2	A140 V142 Q217 L218 L227 L246 L255 I256 L257	A140-L225 HydrophobicContact CB-CD1 3.6Å; V142-L225 HydrophobicContact CG2-CD1 4.16Å; Q217-L225 HydrophobicContact CB-CD1 4.45Å; L218-L225 HydrophobicContact CD2-CD2 4.22Å; L225-L227 HydrophobicContact CD2-CD1 3.89Å; L225-L227 HydrophobicContact CD2-CG 4.49Å; L225-L227 HydrophobicContact CG-CD1 3.77Å; L225-L227 HydrophobicContact CG-CG 4.27Å; L225-L246 HydrophobicContact CD2-CD2 4.25Å; L225-L255 PolarHBondContact N-O 3.42Å; L225-I256 HydrophobicContact CB-CG1 4.43Å; L225-I256 WeakPolarHBondContact O-CA 3.26Å; L225-L257 PolarHBondContact O-N 3.4Å
226	I	94.8	Very high	89.3	Confident	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.9	177.4	-58.7	-176.7	0	0	0	108.6	L106 I109 T110 I139 A140 H141 V142 I224 L257	L106-I226 HydrophobicContact CB-CG2 4.17Å; L106-I226 HydrophobicContact CD1-CG2 4.04Å; L106-I226 HydrophobicContact CD2-CG2 3.86Å; L106-I226 HydrophobicContact CG-CG2 4.24Å; I109-I226 HydrophobicContact CB-CD1 4.31Å; I109-I226 HydrophobicContact CG2-CD1 3.52Å; T110-I226 HydrophobicContact CG2-CD1 3.81Å; I139-I226 HydrophobicContact CD1-CD1 4.49Å; I139-I226 HydrophobicContact CG2-CD1 3.6Å; I139-I226 HydrophobicContact CG2-CG1 3.87Å; A140-I226 PolarHBondContact O-N 3.03Å; H141-I226 CarbonylContact C-O 3.57Å; H141-I226 WeakPolarHBondContact CA-O 3.4Å; V142-I226 PolarHBondContact N-O 3.37Å; I224-I226 HydrophobicContact CG2-CG1 4.28Å; I226-L257 CarbonylContact C-O 3.58Å; I226-L257 VanDerWaalsContact CA-O 3.27Å; I226-L257 WeakPolarHBondContact CA-O 3.45Å; I226-L257 HydrophobicContact CG1-CB 4.27Å
227	L	94.4	Very high	89	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	123.8	178.8	-55.7	100.2	0	0	0	110.9	V142 I214 L225 P230 L246 I256 L257 L258 S259	V142-L227 HydrophobicContact CB-CB 4.43Å; V142-L227 HydrophobicContact CB-CD2 4.24Å; V142-L227 HydrophobicContact CB-CG 4.16Å; V142-L227 HydrophobicContact CG2-CD2 4.24Å; V142-L227 HydrophobicContact CG2-CG 4.29Å; I214-L227 HydrophobicContact CD1-CD2 3.75Å; I214-L227 HydrophobicContact CG1-CD2 3.86Å; L225-L227 HydrophobicContact CD2-CD1 3.89Å; L225-L227 HydrophobicContact CD2-CG 4.49Å; L225-L227 HydrophobicContact CG-CD1 3.77Å; L225-L227 HydrophobicContact CG-CG 4.27Å; L227-P230 HydrophobicContact CB-CB 4.08Å; L227-P230 HydrophobicContact CB-CG 3.88Å; L227-P230 HydrophobicContact CD2-CB 3.99Å; L227-P230 HydrophobicContact CD2-CG 4.44Å; L227-L246 HydrophobicContact CD1-CD1 4.31Å; L227-L246 HydrophobicContact CD1-CD2 4Å; L227-L246 HydrophobicContact CD2-CD1 4.12Å; L227-L246 HydrophobicContact CD2-CD2 3.83Å; L227-I256 HydrophobicContact CD1-CG2 3.71Å; L227-L257 PolarHBondContact N-O 2.95Å; L227-L258 HydrophobicContact CB-CB 4.29Å; L227-L258 CarbonylContact O-C 3.59Å; L227-L258 VanDerWaalsContact O-CA 3.26Å; L227-L258 WeakPolarHBondContact O-CA 3.01Å; L227-S259 PolarHBondContact O-N 3.06Å
228	D	92.3	Very high	88.9	Confident	8 Å²	8	30.4 Å²	30.4	4%	0.043	18%	0.183	C	C	.	.	S	Bend	trans	-93.3	112.5	174.8	-162	20.7	0	0	0	110.7	T103 L106 V142 R210 S259	T103-D228 VanDerWaalsContact CG2-OD2 3.31Å; T103-D228 WeakPolarHBondContact CG2-OD2 3.29Å; T103-D228 PolarHBondContact OG1-OD2 2.87Å; L106-D228 HydrophobicContact CD1-CB 3.75Å; V142-D228 PolarHBondContact O-N 3.26Å; R210-D228 PolarHBondContact NH2-O 3.39Å; D228-S259 VanDerWaalsContact CA-OG 3.31Å; D228-S259 WeakPolarHBondContact CA-OG 3.46Å; D228-S259 PolarHBondContact OD1-OG 3.21Å
229	E	90.3	Very high	88.9	Confident	25 Å²	25	30.7 Å²	30.7	12%	0.117	19%	0.185	C	C	.	.	S	Bend	trans	46.9	57.7	-179.3	-59	-164.7	163.4	0	0	114.3	Q144 R210 T231 S232 S259	Q144-E229 HydrophobicContact CG-CB 4.35Å; Q144-E229 PolarHBondContact NE2-OE2 3.27Å; R210-E229 PolarHBondContact NH2-O 3.37Å; E229-T231 PolarHBondContact O-N 3.46Å; E229-T231 VanDerWaalsContact O-N 3.13Å; E229-S232 PolarHBondContact O-N 3.48Å; E229-S259 VanDerWaalsContact CA-O 3.28Å; E229-S259 WeakPolarHBondContact CA-O 3.38Å; E229-S259 PolarHBondContact N-O 3.25Å; E229-S259 PolarHBondContact N-OG 3.45Å
230	P	91.6	Very high	88.9	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.7	-176.3	26.6	-33.8	0	0	0	114.9	R210 L227 L234 L242 L246 L258 S259	R210-P230 PolarHBondContact NE-O 2.9Å; L227-P230 HydrophobicContact CB-CB 4.08Å; L227-P230 HydrophobicContact CB-CG 3.88Å; L227-P230 HydrophobicContact CD2-CB 3.99Å; L227-P230 HydrophobicContact CD2-CG 4.44Å; P230-L234 WeakPolarHBondContact O-CD1 3.31Å; P230-L242 HydrophobicContact CB-CD2 4.17Å; P230-L242 VanDerWaalsContact O-CD2 3.29Å; P230-L242 WeakPolarHBondContact O-CD2 3.32Å; P230-L246 HydrophobicContact CG-CD1 4.43Å; P230-L258 HydrophobicContact CG-CB 4.1Å; P230-L258 HydrophobicContact CG-CD1 4.23Å; P230-S259 WeakPolarHBondContact CD-O 3.4Å
231	T	90.3	Very high	89.2	Confident	25 Å²	25	32.8 Å²	32.8	15%	0.153	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-4.6	-178.4	57.5	0	0	0	0	113.8	E229 L234 A239 V243	E229-T231 PolarHBondContact O-N 3.46Å; E229-T231 VanDerWaalsContact O-N 3.13Å; T231-L234 PolarHBondContact O-N 3.12Å; T231-A239 HydrophobicContact CG2-CB 4.13Å; T231-V243 HydrophobicContact CG2-CG2 3.8Å
232	S	86.7	Confident	89.4	Confident	66 Å²	66	31 Å²	31	46%	0.462	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	139.1	-179.1	-168.3	0	0	0	0	111.1	E229 L234	E229-S232 PolarHBondContact O-N 3.48Å; S232-L234 PolarHBondContact O-N 3.34Å
233	G	82	Confident	89.7	Confident	82 Å²	82	31 Å²	31	85%	0.845	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.8	6.1	-178.5	0	0	0	0	0	115.6
234	L	86.2	Confident	89.9	Confident	30 Å²	30	32.7 Å²	32.7	16%	0.157	20%	0.196	C	C	.	.			trans	-99.3	147.6	176.1	-58.9	-173.9	0	0	0	111.9	R210 P230 T231 S232 T238 A239 L242	R210-L234 HydrophobicContact CB-CD2 4.5Å; R210-L234 HydrophobicContact CG-CD1 4.4Å; P230-L234 WeakPolarHBondContact O-CD1 3.31Å; T231-L234 PolarHBondContact O-N 3.12Å; S232-L234 PolarHBondContact O-N 3.34Å; L234-T238 HydrophobicContact CD1-CG2 4.43Å; L234-A239 HydrophobicContact CB-CB 4.15Å; L234-L242 HydrophobicContact CD1-CD2 3.74Å
235	D	87.1	Confident	89.8	Confident	89 Å²	89	33 Å²	33	48%	0.476	20%	0.198	S	C	.	.			trans	-66.4	156.3	165.7	70.4	-73.7	0	0	0	110.2	F237 T238 A239	D235-F237 VanDerWaalsContact C-N 3.27Å; D235-F237 PolarHBondContact O-N 3.46Å; D235-F237 WeakPolarHBondContact OD2-CB 3.48Å; D235-F237 PolarHBondContact OD2-N 3.31Å; D235-T238 VanDerWaalsContact CG-OG1 3.32Å; D235-T238 PolarHBondContact O-N 3.1Å; D235-T238 WeakPolarHBondContact OD1-CB 3.28Å; D235-T238 PolarHBondContact OD1-OG1 3.23Å; D235-T238 PolarHBondContact OD2-N 2.79Å; D235-T238 PolarHBondContact OD2-OG1 3.31Å; D235-A239 WeakPolarHBondContact O-CB 3.1Å; D235-A239 PolarHBondContact O-N 2.97Å
236	S	85.5	Confident	89.8	Confident	52 Å²	52	33.1 Å²	33.1	36%	0.364	20%	0.199	S	C	.	.	H	α-helix	trans	-60.1	-35.8	-172.9	-55.9	0	0	0	0	114	H240 R264	S236-H240 WeakPolarHBondContact O-CB 3.38Å; S236-H240 PolarHBondContact O-N 2.91Å; S236-H240 VanDerWaalsContact O-N 3.07Å; S236-R264 PolarHBondContact OG-NH1 3.11Å
237	F	88.4	Confident	89.6	Confident	149 Å²	149	33.9 Å²	33.9	65%	0.654	20%	0.204	S	C	*	.	H	α-helix	trans	-71.1	-44.9	-178.9	178.3	-100.2	0	0	0	110.7	D235 H240 N241	D235-F237 VanDerWaalsContact C-N 3.27Å; D235-F237 PolarHBondContact O-N 3.46Å; D235-F237 WeakPolarHBondContact OD2-CB 3.48Å; D235-F237 PolarHBondContact OD2-N 3.31Å; F237-H240 PolarHBondContact O-N 2.98Å; F237-N241 WeakPolarHBondContact CD1-ND2 3.29Å; F237-N241 WeakPolarHBondContact CE1-ND2 3.31Å; F237-N241 VanDerWaalsContact CZ-ND2 3.26Å; F237-N241 WeakPolarHBondContact CZ-ND2 3.38Å; F237-N241 PolarHBondContact O-N 3.49Å; F237-N241 VanDerWaalsContact O-N 3.13Å; F237-N241 PolarHBondContact O-ND2 3.45Å
238	T	87.8	Confident	89.3	Confident	25 Å²	25	38.4 Å²	38.4	15%	0.153	22%	0.221	C	C	.	.	H	α-helix	trans	-66.1	-38.6	176.1	-55.9	0	0	0	0	112.4	L234 D235 N241 L242	L234-T238 HydrophobicContact CD1-CG2 4.43Å; D235-T238 VanDerWaalsContact CG-OG1 3.32Å; D235-T238 PolarHBondContact O-N 3.1Å; D235-T238 WeakPolarHBondContact OD1-CB 3.28Å; D235-T238 PolarHBondContact OD1-OG1 3.23Å; D235-T238 PolarHBondContact OD2-N 2.79Å; D235-T238 PolarHBondContact OD2-OG1 3.31Å; T238-N241 PolarHBondContact O-N 3.22Å; T238-L242 WeakPolarHBondContact O-CB 3.49Å; T238-L242 PolarHBondContact O-N 2.79Å
239	A	90.6	Very high	89.2	Confident	5 Å²	5	38.1 Å²	38.1	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-60.5	-45.6	175.5	0	0	0	0	0	112	T231 L234 D235 L242 V243 I267	T231-A239 HydrophobicContact CG2-CB 4.13Å; L234-A239 HydrophobicContact CB-CB 4.15Å; D235-A239 WeakPolarHBondContact O-CB 3.1Å; D235-A239 PolarHBondContact O-N 2.97Å; A239-L242 WeakPolarHBondContact O-CB 3.29Å; A239-L242 PolarHBondContact O-N 3.47Å; A239-V243 WeakPolarHBondContact O-CG2 3.47Å; A239-V243 PolarHBondContact O-N 3.37Å; A239-I267 HydrophobicContact CB-CD1 4.12Å
240	H	91.3	Very high	89.1	Confident	48 Å²	48	37 Å²	37	22%	0.222	21%	0.214	C	C	.	.	H	α-helix	trans	-60.5	-48.6	177.2	-174.2	77.6	0	0	0	112	S236 F237 L242 V243 I244 D266 I267	S236-H240 WeakPolarHBondContact O-CB 3.38Å; S236-H240 PolarHBondContact O-N 2.91Å; S236-H240 VanDerWaalsContact O-N 3.07Å; F237-H240 PolarHBondContact O-N 2.98Å; H240-L242 VanDerWaalsContact C-N 3.28Å; H240-L242 PolarHBondContact O-N 3.41Å; H240-V243 PolarHBondContact O-N 3.49Å; H240-I244 VanDerWaalsContact CD2-CD1 3.43Å; H240-I244 WeakPolarHBondContact CD2-CD1 3.49Å; H240-I244 WeakPolarHBondContact NE2-CD1 3.26Å; H240-I244 WeakPolarHBondContact O-CG1 3.24Å; H240-I244 PolarHBondContact O-N 3.28Å; H240-D266 IonicContact CE1-OD2 3.5Å; H240-D266 IonicContact CG-OD2 3.38Å; H240-D266 IonicContact ND1-OD2 2.77Å; H240-D266 PolarHBondContact ND1-OD2 2.98Å; H240-I267 HydrophobicContact CB-CG1 4.38Å
241	N	89.4	Confident	88.9	Confident	41 Å²	41	45 Å²	45	22%	0.219	25%	0.249	C	C	.	.	H	α-helix	trans	-61.5	-35.7	177.6	-74.4	-47.5	0	0	0	113	F237 T238 T245	F237-N241 WeakPolarHBondContact CD1-ND2 3.29Å; F237-N241 WeakPolarHBondContact CE1-ND2 3.31Å; F237-N241 VanDerWaalsContact CZ-ND2 3.26Å; F237-N241 WeakPolarHBondContact CZ-ND2 3.38Å; F237-N241 PolarHBondContact O-N 3.49Å; F237-N241 VanDerWaalsContact O-N 3.13Å; F237-N241 PolarHBondContact O-ND2 3.45Å; T238-N241 PolarHBondContact O-N 3.22Å; N241-T245 PolarHBondContact O-N 3.37Å; N241-T245 VanDerWaalsContact O-N 3.11Å; N241-T245 PolarHBondContact O-OG1 2.85Å
242	L	90.7	Very high	88.7	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	25%	0.247	C	C	.	.	H	α-helix	trans	-63.8	-47.4	174.9	178.5	61.3	0	0	0	111.1	R210 R211 I214 P230 L234 T238 A239 H240 I244 T245 L246	R210-L242 HydrophobicContact CG-CD2 4.11Å; R211-L242 HydrophobicContact CG-CD1 3.99Å; I214-L242 HydrophobicContact CD1-CD1 3.61Å; I214-L242 HydrophobicContact CD1-CD2 4.39Å; I214-L242 HydrophobicContact CD1-CG 4.5Å; P230-L242 HydrophobicContact CB-CD2 4.17Å; P230-L242 VanDerWaalsContact O-CD2 3.29Å; P230-L242 WeakPolarHBondContact O-CD2 3.32Å; L234-L242 HydrophobicContact CD1-CD2 3.74Å; T238-L242 WeakPolarHBondContact O-CB 3.49Å; T238-L242 PolarHBondContact O-N 2.79Å; A239-L242 WeakPolarHBondContact O-CB 3.29Å; A239-L242 PolarHBondContact O-N 3.47Å; H240-L242 VanDerWaalsContact C-N 3.28Å; H240-L242 PolarHBondContact O-N 3.41Å; L242-I244 PolarHBondContact O-N 3.12Å; L242-T245 WeakPolarHBondContact O-CA 3.09Å; L242-T245 WeakPolarHBondContact O-CB 3.48Å; L242-T245 PolarHBondContact O-N 3.37Å; L242-T245 VanDerWaalsContact O-N 3.08Å; L242-L246 WeakPolarHBondContact O-CG 3.21Å; L242-L246 PolarHBondContact O-N 3.31Å
243	V	92.9	Very high	88.6	Confident	0 Å²	0	43 Å²	43	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-67.3	-35.3	179.6	179.7	0	0	0	0	111.9	M91 T231 A239 H240 T245 L246 S247 I267 L270 F271	M91-V243 HydrophobicContact CE-CG1 4.13Å; M91-V243 HydrophobicContact SD-CG1 4.42Å; T231-V243 HydrophobicContact CG2-CG2 3.8Å; A239-V243 WeakPolarHBondContact O-CG2 3.47Å; A239-V243 PolarHBondContact O-N 3.37Å; H240-V243 PolarHBondContact O-N 3.49Å; V243-T245 VanDerWaalsContact C-N 3.26Å; V243-T245 PolarHBondContact O-N 3.42Å; V243-L246 PolarHBondContact O-N 3Å; V243-S247 WeakPolarHBondContact O-CB 3.33Å; V243-S247 PolarHBondContact O-N 2.91Å; V243-I267 HydrophobicContact CB-CG2 4.25Å; V243-I267 HydrophobicContact CG1-CG2 4.08Å; V243-I267 HydrophobicContact CG2-CG2 3.89Å; V243-L270 HydrophobicContact CB-CD1 4.25Å; V243-L270 HydrophobicContact CG1-CB 4.14Å; V243-L270 HydrophobicContact CG1-CD1 3.87Å; V243-F271 HydrophobicContact CG1-CE1 4.04Å
244	I	91.2	Very high	89	Confident	39 Å²	39	39.2 Å²	39.2	20%	0.2	20%	0.195	C	C	.	.	H	α-helix	trans	-56.7	-44.9	169.5	-71	168.5	0	0	0	110.5	H240 L242 L246 S247 R248 L270	H240-I244 VanDerWaalsContact CD2-CD1 3.43Å; H240-I244 WeakPolarHBondContact CD2-CD1 3.49Å; H240-I244 WeakPolarHBondContact NE2-CD1 3.26Å; H240-I244 WeakPolarHBondContact O-CG1 3.24Å; H240-I244 PolarHBondContact O-N 3.28Å; L242-I244 PolarHBondContact O-N 3.12Å; I244-L246 VanDerWaalsContact C-N 3.34Å; I244-L246 PolarHBondContact O-N 3.46Å; I244-S247 WeakPolarHBondContact O-CB 3.15Å; I244-S247 PolarHBondContact O-N 3.18Å; I244-R248 WeakPolarHBondContact O-CG 3.39Å; I244-R248 PolarHBondContact O-N 3.44Å; I244-L270 HydrophobicContact CG1-CD1 3.85Å
245	T	89.4	Confident	89.3	Confident	8 Å²	8	37.8 Å²	37.8	5%	0.049	19%	0.188	C	C	.	.	H	α-helix	trans	-64.2	-41.1	179.7	-51.4	0	0	0	0	110.9	L186 N241 L242 V243 R248 L249	L186-T245 HydrophobicContact CD2-CG2 3.84Å; N241-T245 PolarHBondContact O-N 3.37Å; N241-T245 VanDerWaalsContact O-N 3.11Å; N241-T245 PolarHBondContact O-OG1 2.85Å; L242-T245 WeakPolarHBondContact O-CA 3.09Å; L242-T245 WeakPolarHBondContact O-CB 3.48Å; L242-T245 PolarHBondContact O-N 3.37Å; L242-T245 VanDerWaalsContact O-N 3.08Å; V243-T245 VanDerWaalsContact C-N 3.26Å; V243-T245 PolarHBondContact O-N 3.42Å; T245-R248 PolarHBondContact O-N 3.21Å; T245-L249 WeakPolarHBondContact O-CG 3.25Å; T245-L249 PolarHBondContact O-N 3.33Å
246	L	92.1	Very high	89.7	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-62	-45.9	172.7	-64.7	174.6	0	0	0	111.5	M91 L225 L227 P230 L242 V243 I244 R248 L249 A250 I256	M91-L246 HydrophobicContact SD-CB 4.08Å; L225-L246 HydrophobicContact CD2-CD2 4.25Å; L227-L246 HydrophobicContact CD1-CD1 4.31Å; L227-L246 HydrophobicContact CD1-CD2 4Å; L227-L246 HydrophobicContact CD2-CD1 4.12Å; L227-L246 HydrophobicContact CD2-CD2 3.83Å; P230-L246 HydrophobicContact CG-CD1 4.43Å; L242-L246 WeakPolarHBondContact O-CG 3.21Å; L242-L246 PolarHBondContact O-N 3.31Å; V243-L246 PolarHBondContact O-N 3Å; I244-L246 VanDerWaalsContact C-N 3.34Å; I244-L246 PolarHBondContact O-N 3.46Å; L246-R248 VanDerWaalsContact C-N 3.29Å; L246-R248 PolarHBondContact O-N 2.59Å; L246-L249 HydrophobicContact CD2-CD1 4.35Å; L246-L249 WeakPolarHBondContact O-CA 3.31Å; L246-L249 WeakPolarHBondContact O-CB 3.36Å; L246-L249 PolarHBondContact O-N 2.99Å; L246-A250 PolarHBondContact O-N 3.46Å; L246-I256 HydrophobicContact CB-CD1 4.22Å; L246-I256 HydrophobicContact CD2-CD1 4.49Å; L246-I256 WeakPolarHBondContact O-CD1 3.37Å
247	S	91.6	Very high	90.1	Very high	15 Å²	15	31 Å²	31	11%	0.105	15%	0.148	C	C	.	.	H	α-helix	trans	-57.3	-41.1	176.1	-178.6	0	0	0	0	112.1	V243 I244 A250 K251	V243-S247 WeakPolarHBondContact O-CB 3.33Å; V243-S247 PolarHBondContact O-N 2.91Å; I244-S247 WeakPolarHBondContact O-CB 3.15Å; I244-S247 PolarHBondContact O-N 3.18Å; S247-A250 PolarHBondContact O-N 3.33Å; S247-K251 WeakPolarHBondContact O-CG 3.28Å; S247-K251 PolarHBondContact O-N 3.48Å
248	R	88.8	Confident	90.4	Very high	96 Å²	96	24 Å²	24	36%	0.362	12%	0.117	S	C	.	.	H	α-helix	trans	-62.9	-43.9	173	-69.9	177.7	-171.3	156.3	2	112.3	R187 I244 T245 L246 A250 K251 G252	R187-R248 VanDerWaalsContact NH2-NH1 3.14Å; I244-R248 WeakPolarHBondContact O-CG 3.39Å; I244-R248 PolarHBondContact O-N 3.44Å; T245-R248 PolarHBondContact O-N 3.21Å; L246-R248 VanDerWaalsContact C-N 3.29Å; L246-R248 PolarHBondContact O-N 2.59Å; R248-A250 VanDerWaalsContact C-N 3.28Å; R248-A250 PolarHBondContact O-N 2.93Å; R248-K251 PolarHBondContact O-N 2.97Å; R248-G252 PolarHBondContact O-N 3.23Å; R248-G252 VanDerWaalsContact O-N 3.13Å
249	L	88.4	Confident	90.7	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-61.9	-36.1	176.5	-69.7	171	0	0	0	112.1	E185 L218 T245 L246 G252 R254 I256	E185-L249 HydrophobicContact CG-CD2 4.11Å; L218-L249 HydrophobicContact CD1-CD1 3.73Å; L218-L249 HydrophobicContact CD1-CD2 4.26Å; L218-L249 HydrophobicContact CD2-CD1 4.38Å; T245-L249 WeakPolarHBondContact O-CG 3.25Å; T245-L249 PolarHBondContact O-N 3.33Å; L246-L249 HydrophobicContact CD2-CD1 4.35Å; L246-L249 WeakPolarHBondContact O-CA 3.31Å; L246-L249 WeakPolarHBondContact O-CB 3.36Å; L246-L249 PolarHBondContact O-N 2.99Å; L249-G252 PolarHBondContact O-N 3.25Å; L249-R254 WeakPolarHBondContact O-CB 3.38Å; L249-R254 WeakPolarHBondContact O-CG 3.45Å; L249-R254 PolarHBondContact O-NH1 3.39Å; L249-I256 HydrophobicContact CB-CD1 3.82Å
250	A	89.6	Confident	90.8	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.008	11%	0.108	C	C	.	.	H	α-helix	trans	-65	-49	175	0	0	0	0	0	111	G89 M91 L246 S247 R248 G252 N253 R254 I256	G89-A250 VanDerWaalsContact CA-O 3.31Å; G89-A250 WeakPolarHBondContact CA-O 3.33Å; M91-A250 HydrophobicContact CB-CB 4.21Å; L246-A250 PolarHBondContact O-N 3.46Å; S247-A250 PolarHBondContact O-N 3.33Å; R248-A250 VanDerWaalsContact C-N 3.28Å; R248-A250 PolarHBondContact O-N 2.93Å; A250-G252 PolarHBondContact O-N 2.93Å; A250-N253 PolarHBondContact O-N 3.13Å; A250-R254 PolarHBondContact O-N 2.91Å; A250-R254 VanDerWaalsContact O-N 3.14Å; A250-I256 HydrophobicContact CB-CB 4.49Å; A250-I256 HydrophobicContact CB-CD1 3.82Å; A250-I256 HydrophobicContact CB-CG1 4.03Å
251	K	87.6	Confident	90.4	Very high	167 Å²	167	23 Å²	23	73%	0.726	11%	0.109	S	C	*	.	H	α-helix	trans	-54.6	-28.4	174.3	-70.9	178.6	-177.8	-177.6	0	112.9	S247 R248 N253	S247-K251 WeakPolarHBondContact O-CG 3.28Å; S247-K251 PolarHBondContact O-N 3.48Å; R248-K251 PolarHBondContact O-N 2.97Å; K251-N253 PolarHBondContact O-N 3.43Å
252	G	84.9	Confident	90	Very high	11 Å²	11	26.1 Å²	26.1	11%	0.113	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	28.9	169.5	0	0	0	0	0	115.7	Y34 R248 L249 A250 R254	Y34-G252 PolarHBondContact N-O 2.88Å; R248-G252 PolarHBondContact O-N 3.23Å; R248-G252 VanDerWaalsContact O-N 3.13Å; L249-G252 PolarHBondContact O-N 3.25Å; A250-G252 PolarHBondContact O-N 2.93Å; G252-R254 VanDerWaalsContact C-N 3.33Å; G252-R254 PolarHBondContact O-N 3.43Å
253	N	86.1	Confident	89.9	Confident	40 Å²	40	26.2 Å²	26.2	21%	0.214	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	27.7	-179.2	-163.8	32.5	0	0	0	115	Y34 C38 S88 A250 K251	Y34-N253 PolarHBondContact O-ND2 3.23Å; C38-N253 PolarHBondContact SG-OD1 3.41Å; C38-N253 VanDerWaalsContact SG-OD1 3.33Å; S88-N253 WeakPolarHBondContact CB-O 3.39Å; S88-N253 VanDerWaalsContact CB-OD1 3.29Å; S88-N253 WeakPolarHBondContact CB-OD1 3.38Å; S88-N253 PolarHBondContact OG-O 3.13Å; S88-N253 VanDerWaalsContact OG-O 3.05Å; A250-N253 PolarHBondContact O-N 3.13Å; K251-N253 PolarHBondContact O-N 3.43Å
254	R	89.4	Confident	89.6	Confident	1 Å²	1	32.4 Å²	32.4	0%	0.004	15%	0.147	C	C	.	.			trans	-99.6	149	173.6	-61.7	-173.1	179.5	84.2	13.5	111.3	F32 G89 N221 G223 L249 A250 G252 I256	F32-R254 VanDerWaalsContact CD1-NH2 3.3Å; F32-R254 PolarHBondContact O-NH1 3.06Å; F32-R254 PolarHBondContact O-NH2 2.98Å; G89-R254 PolarHBondContact N-O 3.49Å; N221-R254 PolarHBondContact OD1-NH2 2.92Å; G223-R254 WeakPolarHBondContact O-CA 3.21Å; L249-R254 WeakPolarHBondContact O-CB 3.38Å; L249-R254 WeakPolarHBondContact O-CG 3.45Å; L249-R254 PolarHBondContact O-NH1 3.39Å; A250-R254 PolarHBondContact O-N 2.91Å; A250-R254 VanDerWaalsContact O-N 3.14Å; G252-R254 VanDerWaalsContact C-N 3.33Å; G252-R254 PolarHBondContact O-N 3.43Å; R254-I256 HydrophobicContact CB-CG1 4.43Å
255	L	92.8	Very high	89.6	Confident	0 Å²	0	33 Å²	33	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	121.3	166.5	-169	159	0	0	0	107.9	L41 V86 G223 I224 L225 L257	L41-L255 HydrophobicContact CB-CD1 3.84Å; V86-L255 HydrophobicContact CB-CD1 4Å; V86-L255 HydrophobicContact CB-CD2 4.43Å; V86-L255 HydrophobicContact CB-CG 4.32Å; V86-L255 HydrophobicContact CG1-CD1 3.93Å; V86-L255 HydrophobicContact CG1-CD2 3.99Å; V86-L255 HydrophobicContact CG1-CG 3.74Å; V86-L255 VanDerWaalsContact O-CD1 3.31Å; V86-L255 WeakPolarHBondContact O-CD1 3.49Å; G223-L255 PolarHBondContact O-N 3.39Å; I224-L255 WeakPolarHBondContact CA-O 3.31Å; I224-L255 HydrophobicContact CG1-CB 4.18Å; I224-L255 HydrophobicContact CG2-CD2 4.05Å; L225-L255 PolarHBondContact N-O 3.42Å; L255-L257 HydrophobicContact CD2-CB 4.46Å
256	I	94.8	Very high	89.6	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	126.2	177.1	-58.6	-171.6	0	0	0	109.5	Q90 M91 L92 L225 L227 L246 L249 A250 R254 L258	Q90-I256 PolarHBondContact O-N 3.37Å; M91-I256 WeakPolarHBondContact CA-O 3.4Å; M91-I256 HydrophobicContact CG-CB 4.29Å; M91-I256 HydrophobicContact CG-CG2 4.2Å; L92-I256 PolarHBondContact N-O 2.83Å; L225-I256 HydrophobicContact CB-CG1 4.43Å; L225-I256 WeakPolarHBondContact O-CA 3.26Å; L227-I256 HydrophobicContact CD1-CG2 3.71Å; L246-I256 HydrophobicContact CB-CD1 4.22Å; L246-I256 HydrophobicContact CD2-CD1 4.49Å; L246-I256 WeakPolarHBondContact O-CD1 3.37Å; L249-I256 HydrophobicContact CB-CD1 3.82Å; A250-I256 HydrophobicContact CB-CB 4.49Å; A250-I256 HydrophobicContact CB-CD1 3.82Å; A250-I256 HydrophobicContact CB-CG1 4.03Å; R254-I256 HydrophobicContact CB-CG1 4.43Å; I256-L258 HydrophobicContact CG2-CD2 4.19Å
257	L	95.3	Very high	89.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	122.8	173.9	-164.3	170.2	0	0	0	107.9	L41 L92 V94 L106 I109 L225 I226 L227 L255	L41-L257 HydrophobicContact CD2-CD1 4.01Å; L92-L257 HydrophobicContact CD2-CD1 4.3Å; L92-L257 HydrophobicContact CD2-CG 4.12Å; L92-L257 HydrophobicContact CG-CG 4.43Å; L92-L257 WeakPolarHBondContact O-CA 3.18Å; V94-L257 HydrophobicContact CG2-CD2 3.75Å; V94-L257 HydrophobicContact CG2-CG 4.48Å; L106-L257 HydrophobicContact CD2-CD1 4.47Å; L106-L257 HydrophobicContact CD2-CD2 3.21Å; L106-L257 HydrophobicContact CD2-CG 4.45Å; I109-L257 HydrophobicContact CD1-CD1 3.86Å; L225-L257 PolarHBondContact O-N 3.4Å; I226-L257 CarbonylContact C-O 3.58Å; I226-L257 VanDerWaalsContact CA-O 3.27Å; I226-L257 WeakPolarHBondContact CA-O 3.45Å; I226-L257 HydrophobicContact CG1-CB 4.27Å; L227-L257 PolarHBondContact N-O 2.95Å; L255-L257 HydrophobicContact CD2-CB 4.46Å
258	L	94.8	Very high	89.6	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	142.4	176.3	64.4	142.9	0	0	0	112	M91 L92 A93 V94 L227 P230 I256 V260 F271	M91-L258 HydrophobicContact CG-CD2 3.43Å; M91-L258 VanDerWaalsContact CG-CD2 3.43Å; M91-L258 HydrophobicContact SD-CD2 3.8Å; L92-L258 WeakPolarHBondContact O-CD2 3.4Å; L92-L258 PolarHBondContact O-N 3.04Å; A93-L258 CarbonylContact C-O 3.38Å; A93-L258 WeakPolarHBondContact CA-O 3.35Å; A93-L258 HydrophobicContact CB-CG 4.43Å; V94-L258 PolarHBondContact N-O 3.43Å; L227-L258 HydrophobicContact CB-CB 4.29Å; L227-L258 CarbonylContact O-C 3.59Å; L227-L258 VanDerWaalsContact O-CA 3.26Å; L227-L258 WeakPolarHBondContact O-CA 3.01Å; P230-L258 HydrophobicContact CG-CB 4.1Å; P230-L258 HydrophobicContact CG-CD1 4.23Å; I256-L258 HydrophobicContact CG2-CD2 4.19Å; L258-V260 HydrophobicContact CD1-CG2 3.25Å; L258-V260 HydrophobicContact CG-CG2 4.13Å; L258-F271 HydrophobicContact CD1-CE1 3.56Å; L258-F271 HydrophobicContact CD1-CZ 3.93Å; L258-F271 HydrophobicContact CD2-CD1 4.35Å; L258-F271 HydrophobicContact CD2-CE1 4.01Å; L258-F271 HydrophobicContact CG-CE1 4.24Å
259	S	94	Very high	89.7	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	135.9	165.4	63.2	0	0	0	0	109.7	V94 L227 D228 E229 P230	V94-S259 WeakPolarHBondContact O-CA 3.35Å; L227-S259 PolarHBondContact O-N 3.06Å; D228-S259 VanDerWaalsContact CA-OG 3.31Å; D228-S259 WeakPolarHBondContact CA-OG 3.46Å; D228-S259 PolarHBondContact OD1-OG 3.21Å; E229-S259 VanDerWaalsContact CA-O 3.28Å; E229-S259 WeakPolarHBondContact CA-O 3.38Å; E229-S259 PolarHBondContact N-O 3.25Å; E229-S259 PolarHBondContact N-OG 3.45Å; P230-S259 WeakPolarHBondContact CD-O 3.4Å
260	V	90.9	Very high	89.8	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	128.9	176.9	-170.3	0	0	0	0	109.7	V94 L258 P263 F271	V94-V260 PolarHBondContact O-N 3.45Å; L258-V260 HydrophobicContact CD1-CG2 3.25Å; L258-V260 HydrophobicContact CG-CG2 4.13Å; V260-P263 HydrophobicContact CG1-CB 3.88Å; V260-P263 HydrophobicContact CG1-CG 4.1Å; V260-F271 HydrophobicContact CG2-CZ 4.11Å
261	H	82.8	Confident	90	Very high	56 Å²	56	41 Å²	41	26%	0.259	20%	0.196	S	C	.	.	S	Bend	trans	-72.9	-54.7	178.3	-172.1	-93.1	0	0	0	111.7	S98	S98-H261 PolarHBondContact OG-CD2 3.17Å; S98-H261 PolarHBondContact OG-NE2 2.91Å
262	Q	82.7	Confident	90.3	Very high	107 Å²	107	36.4 Å²	36.4	50%	0.5	18%	0.18	S	C	.	.	S	Bend	trans	-148.7	93	179.9	-79.8	170.6	-37.5	0	0	110.1
263	P	86.9	Confident	90.7	Very high	4 Å²	4	36.1 Å²	36.1	3%	0.026	18%	0.176	C	C	.	.			trans	-73.3	146	177.4	25.6	-25.9	0	0	0	111	I95 V260 I267 F271 N307 S309	I95-P263 HydrophobicContact CD1-CG 3.93Å; V260-P263 HydrophobicContact CG1-CB 3.88Å; V260-P263 HydrophobicContact CG1-CG 4.1Å; P263-I267 HydrophobicContact CB-CB 4.25Å; P263-I267 HydrophobicContact CB-CG2 3.97Å; P263-F271 HydrophobicContact CB-CE2 4.02Å; P263-F271 HydrophobicContact CG-CE2 4.18Å; P263-N307 PolarHBondContact O-ND2 2.86Å; P263-S309 PolarHBondContact O-OG 3.4Å; P263-S309 VanDerWaalsContact O-OG 3.11Å
264	R	88.4	Confident	91	Very high	131 Å²	131	34.2 Å²	34.2	49%	0.494	17%	0.166	S	C	.	.			trans	-68.4	157.3	166.2	-67.3	-179.6	57.3	141	4.4	110.6	S236 D266 I267 F268	S236-R264 PolarHBondContact OG-NH1 3.11Å; R264-D266 WeakPolarHBondContact CB-OD1 3.23Å; R264-D266 IonicContact NE-OD1 3.49Å; R264-D266 PolarHBondContact NE-OD1 3.49Å; R264-D266 PolarHBondContact O-N 2.8Å; R264-I267 HydrophobicContact CB-CD1 4.47Å; R264-I267 WeakPolarHBondContact O-CB 3.4Å; R264-I267 PolarHBondContact O-N 3.41Å; R264-F268 PolarHBondContact O-N 3.31Å
265	S	89.4	Confident	91.2	Very high	52 Å²	52	34.2 Å²	34.2	36%	0.364	17%	0.165	S	C	.	.	H	α-helix	trans	-57.6	-34.9	-176.7	-48.5	0	0	0	0	113.9	F268 Q269 N307	S265-F268 PolarHBondContact O-N 2.91Å; S265-Q269 WeakPolarHBondContact O-CG 3.49Å; S265-Q269 PolarHBondContact O-N 3.45Å; S265-N307 WeakPolarHBondContact OG-CB 3.45Å
266	D	90.2	Very high	91.2	Very high	54 Å²	54	34.3 Å²	34.3	29%	0.289	17%	0.166	S	C	.	.	H	α-helix	trans	-68.8	-35.6	176.2	56.9	-54.7	0	0	0	112.4	H240 R264	H240-D266 IonicContact CE1-OD2 3.5Å; H240-D266 IonicContact CG-OD2 3.38Å; H240-D266 IonicContact ND1-OD2 2.77Å; H240-D266 PolarHBondContact ND1-OD2 2.98Å; R264-D266 WeakPolarHBondContact CB-OD1 3.23Å; R264-D266 IonicContact NE-OD1 3.49Å; R264-D266 PolarHBondContact NE-OD1 3.49Å; R264-D266 PolarHBondContact O-N 2.8Å
267	I	92.3	Very high	91	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.026	17%	0.167	C	C	.	.	H	α-helix	trans	-72.5	-39.5	174.2	-65.4	175.6	0	0	0	110.2	A239 H240 V243 P263 R264 Q269 L270 F271	A239-I267 HydrophobicContact CB-CD1 4.12Å; H240-I267 HydrophobicContact CB-CG1 4.38Å; V243-I267 HydrophobicContact CB-CG2 4.25Å; V243-I267 HydrophobicContact CG1-CG2 4.08Å; V243-I267 HydrophobicContact CG2-CG2 3.89Å; P263-I267 HydrophobicContact CB-CB 4.25Å; P263-I267 HydrophobicContact CB-CG2 3.97Å; R264-I267 HydrophobicContact CB-CD1 4.47Å; R264-I267 WeakPolarHBondContact O-CB 3.4Å; R264-I267 PolarHBondContact O-N 3.41Å; I267-Q269 PolarHBondContact O-N 2.82Å; I267-L270 WeakPolarHBondContact O-CB 3.33Å; I267-L270 PolarHBondContact O-N 2.93Å; I267-F271 HydrophobicContact CG2-CE1 4.39Å; I267-F271 HydrophobicContact CG2-CE2 3.95Å; I267-F271 HydrophobicContact CG2-CZ 3.56Å
268	F	91.9	Very high	90.7	Very high	16 Å²	16	34.5 Å²	34.5	7%	0.07	17%	0.167	C	C	.	.	H	α-helix	trans	-58.1	-36.9	-179.3	179.8	-99.3	0	0	0	112.8	I95 R264 S265 L270 F271 V274 A288 M291 P308	I95-F268 HydrophobicContact CD1-CD2 4.4Å; I95-F268 HydrophobicContact CD1-CE2 4.45Å; R264-F268 PolarHBondContact O-N 3.31Å; S265-F268 PolarHBondContact O-N 2.91Å; F268-L270 PolarHBondContact O-N 3.23Å; F268-F271 HydrophobicContact CD2-CD2 4.27Å; F268-F271 PolarHBondContact O-N 3.2Å; F268-V274 HydrophobicContact CE2-CG2 3.94Å; F268-V274 HydrophobicContact CZ-CG2 4.45Å; F268-A288 HydrophobicContact CE1-CB 4.37Å; F268-A288 HydrophobicContact CE2-CB 4.48Å; F268-A288 HydrophobicContact CZ-CB 3.96Å; F268-M291 HydrophobicContact CE1-CE 3.92Å; F268-M291 HydrophobicContact CE2-CE 3.55Å; F268-M291 HydrophobicContact CE2-SD 4.04Å; F268-M291 HydrophobicContact CZ-CE 3.15Å; F268-M291 HydrophobicContact CZ-SD 3.95Å; F268-P308 HydrophobicContact CE1-CB 4.49Å
269	Q	90.1	Very high	90.2	Very high	162 Å²	162	37 Å²	37	76%	0.757	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.8	177.9	-69.4	175.5	6.7	0	0	114	S265 I267	S265-Q269 WeakPolarHBondContact O-CG 3.49Å; S265-Q269 PolarHBondContact O-N 3.45Å; I267-Q269 PolarHBondContact O-N 2.82Å
270	L	91.4	Very high	89.7	Confident	46 Å²	46	37.1 Å²	37.1	24%	0.241	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-14	-179.2	-61.1	174.4	0	0	0	113.1	M91 V243 I244 I267 F268	M91-L270 HydrophobicContact CE-CB 4.27Å; M91-L270 WeakPolarHBondContact CE-O 3.3Å; V243-L270 HydrophobicContact CB-CD1 4.25Å; V243-L270 HydrophobicContact CG1-CB 4.14Å; V243-L270 HydrophobicContact CG1-CD1 3.87Å; I244-L270 HydrophobicContact CG1-CD1 3.85Å; I267-L270 WeakPolarHBondContact O-CB 3.33Å; I267-L270 PolarHBondContact O-N 2.93Å; F268-L270 PolarHBondContact O-N 3.23Å
271	F	93.6	Very high	89.5	Confident	8 Å²	8	37.8 Å²	37.8	4%	0.035	19%	0.19	C	C	.	.			trans	-79	133.7	-178.4	-59.7	-48.5	0	0	0	111.8	M91 A93 V243 L258 V260 P263 I267 F268 V274 A288	M91-F271 HydrophobicContact CE-CD1 3.81Å; M91-F271 HydrophobicContact CE-CE1 4.3Å; M91-F271 HydrophobicContact CG-CD1 4.33Å; M91-F271 HydrophobicContact SD-CD1 4.31Å; M91-F271 HydrophobicContact SD-CE1 4.49Å; A93-F271 HydrophobicContact CB-CB 4.3Å; A93-F271 HydrophobicContact CB-CD1 3.64Å; A93-F271 HydrophobicContact CB-CD2 3.71Å; A93-F271 HydrophobicContact CB-CE1 3.85Å; A93-F271 HydrophobicContact CB-CE2 3.87Å; A93-F271 HydrophobicContact CB-CG 3.61Å; A93-F271 HydrophobicContact CB-CZ 3.95Å; V243-F271 HydrophobicContact CG1-CE1 4.04Å; L258-F271 HydrophobicContact CD1-CE1 3.56Å; L258-F271 HydrophobicContact CD1-CZ 3.93Å; L258-F271 HydrophobicContact CD2-CD1 4.35Å; L258-F271 HydrophobicContact CD2-CE1 4.01Å; L258-F271 HydrophobicContact CG-CE1 4.24Å; V260-F271 HydrophobicContact CG2-CZ 4.11Å; P263-F271 HydrophobicContact CB-CE2 4.02Å; P263-F271 HydrophobicContact CG-CE2 4.18Å; I267-F271 HydrophobicContact CG2-CE1 4.39Å; I267-F271 HydrophobicContact CG2-CE2 3.95Å; I267-F271 HydrophobicContact CG2-CZ 3.56Å; F268-F271 HydrophobicContact CD2-CD2 4.27Å; F268-F271 PolarHBondContact O-N 3.2Å; F271-V274 HydrophobicContact CB-CG2 4.11Å; F271-A288 HydrophobicContact CB-CB 4.26Å; F271-A288 WeakPolarHBondContact O-CB 3.33Å
272	D	92.6	Very high	89.8	Confident	70 Å²	70	35.4 Å²	35.4	37%	0.374	18%	0.18	S	C	.	.	S	Bend	trans	-78.7	-48.6	173.8	-58.2	-53.1	0	0	0	110	M91 A287 A288	M91-D272 PolarHBondContact N-OD2 3.44Å; M91-D272 PolarHBondContact O-N 3.17Å; D272-A287 VanDerWaalsContact O-CA 3.24Å; D272-A287 WeakPolarHBondContact O-CA 3.42Å; D272-A288 PolarHBondContact O-N 3.14Å
273	L	93.6	Very high	90.2	Very high	6 Å²	6	30.3 Å²	30.3	3%	0.031	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	146.7	-178.8	-63	175.9	0	0	0	110.8	V86 Q90 M91 L92 A93 F285 G286 M351	V86-L273 HydrophobicContact CG1-CD1 4.45Å; Q90-L273 HydrophobicContact CB-CD1 4.3Å; M91-L273 PolarHBondContact O-N 2.87Å; M91-L273 VanDerWaalsContact O-N 3.07Å; L92-L273 WeakPolarHBondContact CA-O 3.11Å; L92-L273 HydrophobicContact CB-CB 4.32Å; L92-L273 HydrophobicContact CD1-CB 3.77Å; A93-L273 PolarHBondContact N-O 3.41Å; L273-F285 HydrophobicContact CD1-CE2 4.43Å; L273-G286 WeakPolarHBondContact CA-O 3.49Å; L273-M351 HydrophobicContact CD2-SD 3.67Å
274	V	93.9	Very high	90.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	130.3	176.9	178	0	0	0	0	109.3	A93 I95 F268 F271 F285 G286 A288 M291	A93-V274 CarbonylContact O-C 3.58Å; A93-V274 WeakPolarHBondContact O-CA 3.38Å; I95-V274 HydrophobicContact CD1-CG1 3.79Å; I95-V274 HydrophobicContact CG1-CG1 4.24Å; F268-V274 HydrophobicContact CE2-CG2 3.94Å; F268-V274 HydrophobicContact CZ-CG2 4.45Å; F271-V274 HydrophobicContact CB-CG2 4.11Å; V274-F285 WeakPolarHBondContact O-CA 3.09Å; V274-G286 PolarHBondContact N-O 3.02Å; V274-G286 PolarHBondContact O-N 2.77Å; V274-A288 HydrophobicContact CG2-CB 3.71Å; V274-M291 HydrophobicContact CG1-SD 4.28Å
275	V	92.9	Very high	90.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.2	165.1	173.3	0	0	0	0	107.8	L92 A93 I95 L277 Y284 F285	L92-V275 HydrophobicContact CD1-CB 4.28Å; L92-V275 HydrophobicContact CD1-CG2 3.66Å; L92-V275 HydrophobicContact CD2-CG2 4.17Å; A93-V275 PolarHBondContact O-N 2.85Å; I95-V275 PolarHBondContact N-O 2.99Å; V275-L277 HydrophobicContact CG1-CD2 3.71Å; V275-L277 HydrophobicContact CG1-CG 3.88Å; V275-Y284 CarbonylContact C-O 3.46Å; V275-Y284 WeakPolarHBondContact CA-O 3.28Å; V275-F285 HydrophobicContact CB-CD2 4.42Å; V275-F285 HydrophobicContact CG2-CB 4.11Å; V275-F285 HydrophobicContact CG2-CD2 3.19Å; V275-F285 HydrophobicContact CG2-CE2 3.81Å; V275-F285 HydrophobicContact CG2-CG 3.87Å
276	L	92.6	Very high	90.7	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.01	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	114.2	174.5	-165.4	67.8	0	0	0	109.7	I95 V283 Y284 F295 V313 I316	I95-L276 HydrophobicContact CB-CD1 4.13Å; I95-L276 HydrophobicContact CG2-CD1 4.02Å; I95-L276 CarbonylContact O-C 3.56Å; I95-L276 WeakPolarHBondContact O-CA 3.42Å; L276-V283 HydrophobicContact CD2-CB 4.44Å; L276-V283 HydrophobicContact CD2-CG1 4.47Å; L276-V283 PolarHBondContact O-N 3.02Å; L276-Y284 PolarHBondContact N-O 3.27Å; L276-F295 HydrophobicContact CD2-CE2 4.06Å; L276-F295 HydrophobicContact CD2-CZ 3.63Å; L276-V313 HydrophobicContact CD1-CG2 4.13Å; L276-I316 HydrophobicContact CD1-CD1 3.46Å; L276-I316 VanDerWaalsContact CD1-CD1 3.46Å; L276-I316 HydrophobicContact CD2-CD1 3.78Å; L276-I316 HydrophobicContact CD2-CG2 3.7Å; L276-I316 HydrophobicContact CG-CD1 3.36Å; L276-I316 HydrophobicContact CG-CG2 4.37Å
277	L	90.6	Very high	90.8	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.016	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	132.5	-178	-65.7	-179.6	0	0	0	111.8	L82 V94 I95 G96 C100 K102 L105 V275 A282	L82-L277 HydrophobicContact CD1-CD2 3.95Å; V94-L277 HydrophobicContact CG1-CD1 3.45Å; V94-L277 VanDerWaalsContact CG1-CD1 3.45Å; V94-L277 HydrophobicContact CG1-CG 4.05Å; I95-L277 PolarHBondContact O-N 2.89Å; G96-L277 WeakPolarHBondContact CA-O 3.08Å; C100-L277 HydrophobicContact CB-CB 4.48Å; C100-L277 PolarHBondContact SG-O 2.92Å; C100-L277 VanDerWaalsContact SG-O 3.38Å; K102-L277 HydrophobicContact CG-CD1 4.48Å; L105-L277 HydrophobicContact CD2-CD1 4.02Å; V275-L277 HydrophobicContact CG1-CD2 3.71Å; V275-L277 HydrophobicContact CG1-CG 3.88Å; L277-A282 HydrophobicContact CD2-CB 4.31Å
278	S	89.3	Confident	90.7	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.007	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	127	168.4	-171.5	0	0	0	0	111.3	G280 S281 I316 S333	S278-G280 PolarHBondContact O-N 3.42Å; S278-G280 VanDerWaalsContact O-N 3.1Å; S278-S281 PolarHBondContact N-O 3.49Å; S278-S281 PolarHBondContact O-N 3.3Å; S278-I316 PolarHBondContact OG-O 2.93Å; S278-S333 VanDerWaalsContact CB-OG 3.28Å; S278-S333 WeakPolarHBondContact CB-OG 3.32Å; S278-S333 PolarHBondContact OG-OG 3.41Å; S278-S333 VanDerWaalsContact OG-OG 3.07Å
279	S	84.3	Confident	90.6	Very high	54 Å²	54	27.4 Å²	27.4	38%	0.378	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	42.6	46	-177.6	-63.6	0	0	0	0	114.1	S281 I318	S279-S281 VanDerWaalsContact C-N 3.27Å; S279-S281 PolarHBondContact O-N 3.22Å; S279-I318 WeakPolarHBondContact OG-CD1 3.33Å
280	G	82.5	Confident	90.6	Very high	1 Å²	1	21 Å²	21	1%	0.01	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	-3.6	178.9	0	0	0	0	0	116.1	A78 I79 N80 C100 S278	A78-G280 WeakPolarHBondContact O-CA 3.31Å; I79-G280 CarbonylContact C-O 3.45Å; I79-G280 WeakPolarHBondContact CA-O 3.45Å; I79-G280 WeakPolarHBondContact CG2-O 3.33Å; N80-G280 PolarHBondContact N-O 3.44Å; C100-G280 WeakPolarHBondContact O-CA 3.38Å; C100-G280 PolarHBondContact O-N 2.95Å; S278-G280 PolarHBondContact O-N 3.42Å; S278-G280 VanDerWaalsContact O-N 3.1Å
281	S	87.8	Confident	90.6	Very high	15 Å²	15	18.9 Å²	18.9	11%	0.105	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	142.3	177.8	-57.3	0	0	0	0	111.1	S278 S279	S278-S281 PolarHBondContact N-O 3.49Å; S278-S281 PolarHBondContact O-N 3.3Å; S279-S281 VanDerWaalsContact C-N 3.27Å; S279-S281 PolarHBondContact O-N 3.22Å
282	A	89.6	Confident	90.5	Very high	6 Å²	6	20.7 Å²	20.7	5%	0.05	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	126	170.1	0	0	0	0	0	110.8	L82 L277 F340	L82-A282 HydrophobicContact CD1-CB 3.49Å; L82-A282 VanDerWaalsContact CD1-CB 3.49Å; L277-A282 HydrophobicContact CD2-CB 4.31Å; A282-F340 HydrophobicContact CB-CE1 4.41Å
283	V	91.3	Very high	90.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-29.1	174.2	179.6	0	0	0	0	110.9	L276 Y294 F295 I316 L336 F340	L276-V283 HydrophobicContact CD2-CB 4.44Å; L276-V283 HydrophobicContact CD2-CG1 4.47Å; L276-V283 PolarHBondContact O-N 3.02Å; V283-Y294 PolarHBondContact O-OH 3.39Å; V283-F295 HydrophobicContact CG1-CE1 4.06Å; V283-F295 HydrophobicContact CG1-CZ 4.1Å; V283-I316 HydrophobicContact CB-CG2 4.24Å; V283-I316 HydrophobicContact CG1-CG2 3.94Å; V283-I316 HydrophobicContact CG2-CG2 4.07Å; V283-L336 HydrophobicContact CG1-CB 3.81Å; V283-L336 HydrophobicContact CG1-CD1 4.41Å; V283-F340 WeakPolarHBondContact O-CB 3.33Å; V283-F340 WeakPolarHBondContact O-CG 3.49Å
284	Y	91.9	Very high	90.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	140.4	176.8	175.2	-103.1	0	0	0	110.3	V275 L276 G286 A287 D290 M291 Y294 F295 F340 W352	V275-Y284 CarbonylContact C-O 3.46Å; V275-Y284 WeakPolarHBondContact CA-O 3.28Å; L276-Y284 PolarHBondContact N-O 3.27Å; Y284-G286 WeakPolarHBondContact OH-CA 3.42Å; Y284-A287 PolarHBondContact OH-O 3.31Å; Y284-D290 VanDerWaalsContact OH-C 3.29Å; Y284-D290 WeakPolarHBondContact OH-CB 3.36Å; Y284-M291 HydrophobicContact CD1-CB 4.29Å; Y284-M291 HydrophobicContact CD1-CG 3.93Å; Y284-M291 HydrophobicContact CE1-CB 3.68Å; Y284-M291 HydrophobicContact CE1-CG 3.85Å; Y284-M291 HydrophobicContact CG-CG 4.5Å; Y284-M291 PolarHBondContact OH-N 2.86Å; Y284-M291 VanDerWaalsContact OH-N 3.16Å; Y284-Y294 AromaticContact CD2-CD1 3.44Å; Y284-Y294 HydrophobicContact CD2-CD1 3.44Å; Y284-Y294 VanDerWaalsContact CD2-CD1 3.44Å; Y284-Y294 HydrophobicContact CD2-CD2 4.27Å; Y284-Y294 AromaticContact CD2-CE1 3.8Å; Y284-Y294 HydrophobicContact CD2-CE1 3.8Å; Y284-Y294 AromaticContact CD2-CG 3.7Å; Y284-Y294 HydrophobicContact CD2-CG 3.7Å; Y284-Y294 HydrophobicContact CE2-CD1 4.03Å; Y284-Y294 HydrophobicContact CE2-CD2 4.4Å; Y284-Y294 AromaticContact CE2-CG 3.84Å; Y284-Y294 HydrophobicContact CE2-CG 3.84Å; Y284-Y294 HydrophobicContact CG-CD1 4.26Å; Y284-Y294 HydrophobicContact CG-CE1 4.47Å; Y284-F295 HydrophobicContact CG-CE2 4.46Å; Y284-F340 HydrophobicContact CD2-CE2 4.41Å; Y284-W352 HydrophobicContact CE2-CB 4.27Å; Y284-W352 HydrophobicContact CE2-CE3 4.23Å
285	F	91.9	Very high	90.1	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.009	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	121.3	165.1	171.7	-127.9	0	0	0	109.3	L84 R85 L92 L273 V274 V275 F340 H350 M351 W352	L84-F285 HydrophobicContact CB-CD1 4.42Å; L84-F285 HydrophobicContact CB-CE1 4.16Å; L84-F285 HydrophobicContact CB-CZ 4.22Å; R85-F285 WeakPolarHBondContact O-CZ 3.46Å; L92-F285 HydrophobicContact CD1-CE2 4.17Å; L273-F285 HydrophobicContact CD1-CE2 4.43Å; V274-F285 WeakPolarHBondContact O-CA 3.09Å; V275-F285 HydrophobicContact CB-CD2 4.42Å; V275-F285 HydrophobicContact CG2-CB 4.11Å; V275-F285 HydrophobicContact CG2-CD2 3.19Å; V275-F285 HydrophobicContact CG2-CE2 3.81Å; V275-F285 HydrophobicContact CG2-CG 3.87Å; F285-F340 HydrophobicContact CB-CE1 4.35Å; F285-F340 HydrophobicContact CB-CZ 3.74Å; F285-F340 VanDerWaalsContact N-CE2 3.28Å; F285-H350 VanDerWaalsContact CD1-O 3.24Å; F285-H350 WeakPolarHBondContact CD1-O 3.28Å; F285-M351 HydrophobicContact CE1-CB 4.24Å; F285-W352 PolarHBondContact O-N 2.76Å
286	G	91.4	Very high	90	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.3	-174.4	-173.4	0	0	0	0	0	112.9	L273 V274 Y284	L273-G286 WeakPolarHBondContact CA-O 3.49Å; V274-G286 PolarHBondContact N-O 3.02Å; V274-G286 PolarHBondContact O-N 2.77Å; Y284-G286 WeakPolarHBondContact OH-CA 3.42Å
287	A	91.8	Very high	89.9	Confident	14 Å²	14	26.7 Å²	26.7	12%	0.116	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	148.5	174.5	0	0	0	0	0	111.2	D272 Y284 R289 D290 M291	D272-A287 VanDerWaalsContact O-CA 3.24Å; D272-A287 WeakPolarHBondContact O-CA 3.42Å; Y284-A287 PolarHBondContact OH-O 3.31Å; A287-R289 VanDerWaalsContact C-N 3.27Å; A287-R289 HydrophobicContact CB-CG 4.07Å; A287-R289 PolarHBondContact O-N 3.27Å; A287-D290 HydrophobicContact CB-CB 4.28Å; A287-D290 WeakPolarHBondContact CB-OD2 3.38Å; A287-D290 PolarHBondContact O-N 2.83Å; A287-D290 VanDerWaalsContact O-N 3.09Å; A287-M291 PolarHBondContact O-N 3.19Å
288	A	89.9	Confident	89.7	Confident	7 Å²	7	28.1 Å²	28.1	6%	0.058	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-59.4	-38.9	-178.8	0	0	0	0	0	112.5	F268 F271 D272 V274 D290 M291	F268-A288 HydrophobicContact CE1-CB 4.37Å; F268-A288 HydrophobicContact CE2-CB 4.48Å; F268-A288 HydrophobicContact CZ-CB 3.96Å; F271-A288 HydrophobicContact CB-CB 4.26Å; F271-A288 WeakPolarHBondContact O-CB 3.33Å; D272-A288 PolarHBondContact O-N 3.14Å; V274-A288 HydrophobicContact CG2-CB 3.71Å; A288-D290 VanDerWaalsContact C-N 3.26Å; A288-D290 PolarHBondContact O-N 2.97Å; A288-M291 WeakPolarHBondContact O-CB 3.32Å; A288-M291 PolarHBondContact O-N 2.88Å
289	R	89.8	Confident	89.7	Confident	178 Å²	178	30.8 Å²	30.8	67%	0.672	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-63.8	-28.9	177.3	64.1	-179.1	-178.2	-155.9	-4.2	114	A287 P293	A287-R289 VanDerWaalsContact C-N 3.27Å; A287-R289 HydrophobicContact CB-CG 4.07Å; A287-R289 PolarHBondContact O-N 3.27Å; R289-P293 WeakPolarHBondContact O-CD 3.22Å
290	D	90.6	Very high	90	Very high	27 Å²	27	31.1 Å²	31.1	14%	0.144	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-87.7	-11.4	-173.4	-70.1	-23.1	0	0	0	111.9	Y284 A287 A288 P293 Y294 W352	Y284-D290 VanDerWaalsContact OH-C 3.29Å; Y284-D290 WeakPolarHBondContact OH-CB 3.36Å; A287-D290 HydrophobicContact CB-CB 4.28Å; A287-D290 WeakPolarHBondContact CB-OD2 3.38Å; A287-D290 PolarHBondContact O-N 2.83Å; A287-D290 VanDerWaalsContact O-N 3.09Å; A288-D290 VanDerWaalsContact C-N 3.26Å; A288-D290 PolarHBondContact O-N 2.97Å; D290-P293 WeakPolarHBondContact O-CD 3.29Å; D290-Y294 WeakPolarHBondContact O-CB 3.24Å; D290-Y294 PolarHBondContact O-N 2.84Å; D290-Y294 VanDerWaalsContact O-N 3.09Å; D290-W352 HydrophobicContact CB-CE3 4.04Å; D290-W352 HydrophobicContact CB-CZ3 3.83Å; D290-W352 WeakPolarHBondContact O-CZ3 3.34Å
291	M	90.3	Very high	90.4	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-64.4	-43.9	-178.5	-172.3	-174.9	69.3	0	0	112.7	F268 V274 Y284 A287 A288 Y294 F295 P308 Y312	F268-M291 HydrophobicContact CE1-CE 3.92Å; F268-M291 HydrophobicContact CE2-CE 3.55Å; F268-M291 HydrophobicContact CE2-SD 4.04Å; F268-M291 HydrophobicContact CZ-CE 3.15Å; F268-M291 HydrophobicContact CZ-SD 3.95Å; V274-M291 HydrophobicContact CG1-SD 4.28Å; Y284-M291 HydrophobicContact CD1-CB 4.29Å; Y284-M291 HydrophobicContact CD1-CG 3.93Å; Y284-M291 HydrophobicContact CE1-CB 3.68Å; Y284-M291 HydrophobicContact CE1-CG 3.85Å; Y284-M291 HydrophobicContact CG-CG 4.5Å; Y284-M291 PolarHBondContact OH-N 2.86Å; Y284-M291 VanDerWaalsContact OH-N 3.16Å; A287-M291 PolarHBondContact O-N 3.19Å; A288-M291 WeakPolarHBondContact O-CB 3.32Å; A288-M291 PolarHBondContact O-N 2.88Å; M291-Y294 PolarHBondContact O-N 3.24Å; M291-F295 HydrophobicContact CG-CD2 3.95Å; M291-F295 HydrophobicContact CG-CE2 3.77Å; M291-F295 VanDerWaalsContact O-CD2 3.24Å; M291-F295 WeakPolarHBondContact O-CD2 3.49Å; M291-F295 PolarHBondContact O-N 3.15Å; M291-P308 HydrophobicContact CE-CB 3.85Å; M291-Y312 HydrophobicContact CE-CD2 3.43Å; M291-Y312 VanDerWaalsContact CE-CD2 3.43Å; M291-Y312 HydrophobicContact CE-CE2 3.73Å; M291-Y312 HydrophobicContact CG-CD2 4.24Å; M291-Y312 HydrophobicContact CG-CE2 4.39Å; M291-Y312 HydrophobicContact SD-CD2 4.03Å
292	V	91.3	Very high	90.5	Very high	47 Å²	47	35.4 Å²	35.4	29%	0.285	22%	0.215	S	C	.	.	H	α-helix	trans	-65.6	-51.6	179.9	174.5	0	0	0	0	111.2	Y294 F295 T296 P308 Y312	V292-Y294 VanDerWaalsContact C-N 3.26Å; V292-Y294 PolarHBondContact O-N 3.46Å; V292-F295 PolarHBondContact O-N 3.09Å; V292-T296 WeakPolarHBondContact O-CB 3.3Å; V292-T296 PolarHBondContact O-N 3.01Å; V292-T296 PolarHBondContact O-OG1 3.44Å; V292-P308 HydrophobicContact CG2-CB 3.87Å; V292-P308 HydrophobicContact CG2-CG 4.09Å; V292-Y312 HydrophobicContact CG2-CE2 4.05Å
293	P	91.3	Very high	90.6	Very high	63 Å²	63	38 Å²	38	41%	0.409	23%	0.231	S	C	.	.	H	α-helix	trans	-53.2	-41	173.5	-27.4	33.7	0	0	0	113.9	R289 D290 T296 A297 W352	R289-P293 WeakPolarHBondContact O-CD 3.22Å; D290-P293 WeakPolarHBondContact O-CD 3.29Å; P293-T296 PolarHBondContact O-N 3.49Å; P293-A297 PolarHBondContact O-N 3.09Å; P293-W352 HydrophobicContact CB-CH2 4.47Å
294	Y	90.2	Very high	90.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-58.4	-53.5	179.1	172.7	-101.7	0	0	0	112.1	V283 Y284 D290 M291 V292 T296 A297 L298 F340 K343 W352	V283-Y294 PolarHBondContact O-OH 3.39Å; Y284-Y294 AromaticContact CD2-CD1 3.44Å; Y284-Y294 HydrophobicContact CD2-CD1 3.44Å; Y284-Y294 VanDerWaalsContact CD2-CD1 3.44Å; Y284-Y294 HydrophobicContact CD2-CD2 4.27Å; Y284-Y294 AromaticContact CD2-CE1 3.8Å; Y284-Y294 HydrophobicContact CD2-CE1 3.8Å; Y284-Y294 AromaticContact CD2-CG 3.7Å; Y284-Y294 HydrophobicContact CD2-CG 3.7Å; Y284-Y294 HydrophobicContact CE2-CD1 4.03Å; Y284-Y294 HydrophobicContact CE2-CD2 4.4Å; Y284-Y294 AromaticContact CE2-CG 3.84Å; Y284-Y294 HydrophobicContact CE2-CG 3.84Å; Y284-Y294 HydrophobicContact CG-CD1 4.26Å; Y284-Y294 HydrophobicContact CG-CE1 4.47Å; D290-Y294 WeakPolarHBondContact O-CB 3.24Å; D290-Y294 PolarHBondContact O-N 2.84Å; D290-Y294 VanDerWaalsContact O-N 3.09Å; M291-Y294 PolarHBondContact O-N 3.24Å; V292-Y294 VanDerWaalsContact C-N 3.26Å; V292-Y294 PolarHBondContact O-N 3.46Å; Y294-T296 PolarHBondContact O-N 3.21Å; Y294-A297 WeakPolarHBondContact O-CB 3.3Å; Y294-A297 PolarHBondContact O-N 3.49Å; Y294-L298 HydrophobicContact CD1-CD1 4.17Å; Y294-L298 HydrophobicContact CE1-CD1 3.53Å; Y294-L298 HydrophobicContact CE2-CD1 4.27Å; Y294-L298 PolarHBondContact O-N 2.9Å; Y294-F340 HydrophobicContact CE2-CD2 4.23Å; Y294-F340 AromaticContact CZ-CD2 3.87Å; Y294-F340 WeakPolarHBondContact OH-CA 3.5Å; Y294-F340 VanDerWaalsContact OH-CB 3.31Å; Y294-F340 WeakPolarHBondContact OH-CB 3.3Å; Y294-F340 WeakPolarHBondContact OH-CD2 3.15Å; Y294-K343 HydrophobicContact CE2-CD 4.16Å; Y294-W352 AromaticContact CD2-CD1 3.83Å; Y294-W352 AromaticContact CD2-CD2 3.68Å; Y294-W352 HydrophobicContact CD2-CD2 3.68Å; Y294-W352 AromaticContact CD2-CE2 3.6Å; Y294-W352 HydrophobicContact CD2-CE3 4.29Å; Y294-W352 AromaticContact CD2-CG 3.85Å; Y294-W352 HydrophobicContact CD2-CG 3.85Å; Y294-W352 HydrophobicContact CD2-CZ2 4.12Å; Y294-W352 AromaticContact CD2-NE1 3.69Å; Y294-W352 AromaticContact CE2-CD1 3.95Å; Y294-W352 HydrophobicContact CE2-CG 4.24Å; Y294-W352 HydrophobicContact CG-CD2 4.37Å
295	F	91.3	Very high	90	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-71.7	-29.7	-179.6	-74	-69.1	0	0	0	112.9	L276 V283 Y284 M291 V292 A297 L298 G299 H300 Y312 L315	L276-F295 HydrophobicContact CD2-CE2 4.06Å; L276-F295 HydrophobicContact CD2-CZ 3.63Å; V283-F295 HydrophobicContact CG1-CE1 4.06Å; V283-F295 HydrophobicContact CG1-CZ 4.1Å; Y284-F295 HydrophobicContact CG-CE2 4.46Å; M291-F295 HydrophobicContact CG-CD2 3.95Å; M291-F295 HydrophobicContact CG-CE2 3.77Å; M291-F295 VanDerWaalsContact O-CD2 3.24Å; M291-F295 WeakPolarHBondContact O-CD2 3.49Å; M291-F295 PolarHBondContact O-N 3.15Å; V292-F295 PolarHBondContact O-N 3.09Å; F295-A297 VanDerWaalsContact C-N 3.32Å; F295-A297 PolarHBondContact O-N 2.91Å; F295-L298 HydrophobicContact CD1-CD1 4.26Å; F295-L298 CarbonylContact O-C 3.6Å; F295-L298 PolarHBondContact O-N 3.42Å; F295-L298 VanDerWaalsContact O-N 3.14Å; F295-G299 PolarHBondContact O-N 2.57Å; F295-H300 CarbonylContact C-O 3.47Å; F295-H300 HydrophobicContact CB-CB 4.49Å; F295-H300 CarbonylContact O-C 3.49Å; F295-H300 WeakPolarHBondContact O-CA 3.33Å; F295-H300 PolarHBondContact O-N 3.09Å; F295-Y312 HydrophobicContact CB-CD1 3.92Å; F295-Y312 HydrophobicContact CB-CE1 3.19Å; F295-Y312 HydrophobicContact CD1-CD1 4.12Å; F295-Y312 HydrophobicContact CD1-CE1 4.25Å; F295-Y312 AromaticContact CD2-CD1 3.45Å; F295-Y312 HydrophobicContact CD2-CD1 3.45Å; F295-Y312 VanDerWaalsContact CD2-CD1 3.45Å; F295-Y312 AromaticContact CD2-CD2 3.92Å; F295-Y312 HydrophobicContact CD2-CD2 3.92Å; F295-Y312 AromaticContact CD2-CE1 3.48Å; F295-Y312 HydrophobicContact CD2-CE1 3.48Å; F295-Y312 VanDerWaalsContact CD2-CE1 3.48Å; F295-Y312 AromaticContact CD2-CE2 3.93Å; F295-Y312 HydrophobicContact CD2-CE2 3.93Å; F295-Y312 AromaticContact CD2-CG 3.69Å; F295-Y312 HydrophobicContact CD2-CG 3.69Å; F295-Y312 AromaticContact CD2-CZ 3.71Å; F295-Y312 AromaticContact CE2-CD1 3.97Å; F295-Y312 HydrophobicContact CE2-CD1 3.97Å; F295-Y312 HydrophobicContact CE2-CD2 4.25Å; F295-Y312 HydrophobicContact CE2-CE1 4.43Å; F295-Y312 AromaticContact CE2-CG 3.88Å; F295-Y312 HydrophobicContact CE2-CG 3.88Å; F295-Y312 AromaticContact CG-CD1 3.56Å; F295-Y312 HydrophobicContact CG-CD1 3.56Å; F295-Y312 AromaticContact CG-CE1 3.38Å; F295-Y312 HydrophobicContact CG-CE1 3.38Å; F295-Y312 HydrophobicContact CG-CG 4.28Å; F295-Y312 AromaticContact CG-CZ 3.95Å; F295-Y312 HydrophobicContact CZ-CD1 4.5Å; F295-L315 HydrophobicContact CD1-CD2 4.29Å
296	T	91	Very high	89.8	Confident	68 Å²	68	63.3 Å²	63.3	42%	0.417	34%	0.337	S	S	.	.	H	α-helix	trans	-61.6	-41.1	170.8	-62.2	0	0	0	0	111.4	V292 P293 Y294 L298 G299 P301	V292-T296 WeakPolarHBondContact O-CB 3.3Å; V292-T296 PolarHBondContact O-N 3.01Å; V292-T296 PolarHBondContact O-OG1 3.44Å; P293-T296 PolarHBondContact O-N 3.49Å; Y294-T296 PolarHBondContact O-N 3.21Å; T296-L298 PolarHBondContact O-N 2.97Å; T296-G299 PolarHBondContact O-N 2.91Å; T296-P301 HydrophobicContact CG2-CB 4.42Å
297	A	89	Confident	89.8	Confident	73 Å²	73	64.6 Å²	64.6	60%	0.603	34%	0.344	S	S	*	.	H	α-helix	trans	-66.5	-22.5	175.6	0	0	0	0	0	113.3	P293 Y294 F295 G299	P293-A297 PolarHBondContact O-N 3.09Å; Y294-A297 WeakPolarHBondContact O-CB 3.3Å; Y294-A297 PolarHBondContact O-N 3.49Å; F295-A297 VanDerWaalsContact C-N 3.32Å; F295-A297 PolarHBondContact O-N 2.91Å; A297-G299 VanDerWaalsContact C-N 3.32Å
298	L	87.6	Confident	89.7	Confident	33 Å²	33	65.3 Å²	65.3	17%	0.173	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	0.7	173.3	-64.6	179.5	0	0	0	113.5	Y294 F295 T296 L336	Y294-L298 HydrophobicContact CD1-CD1 4.17Å; Y294-L298 HydrophobicContact CE1-CD1 3.53Å; Y294-L298 HydrophobicContact CE2-CD1 4.27Å; Y294-L298 PolarHBondContact O-N 2.9Å; F295-L298 HydrophobicContact CD1-CD1 4.26Å; F295-L298 CarbonylContact O-C 3.6Å; F295-L298 PolarHBondContact O-N 3.42Å; F295-L298 VanDerWaalsContact O-N 3.14Å; T296-L298 PolarHBondContact O-N 2.97Å; L298-L336 HydrophobicContact CD1-CD2 3.99Å
299	G	89.1	Confident	89.6	Confident	56 Å²	56	65.1 Å²	65.1	58%	0.577	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	89	11.5	-179.7	0	0	0	0	0	114.8	F295 T296 A297 P301	F295-G299 PolarHBondContact O-N 2.57Å; T296-G299 PolarHBondContact O-N 2.91Å; A297-G299 VanDerWaalsContact C-N 3.32Å; G299-P301 VanDerWaalsContact C-CD 3.43Å; G299-P301 VanDerWaalsContact O-CD 3.24Å; G299-P301 WeakPolarHBondContact O-CD 3.34Å
300	H	89.8	Confident	89.6	Confident	61 Å²	61	59.7 Å²	59.7	28%	0.282	33%	0.33	S	S	.	.			trans	-116.2	73.3	177.7	-63.4	-64.4	0	0	0	111.7	F295 L315	F295-H300 CarbonylContact C-O 3.47Å; F295-H300 HydrophobicContact CB-CB 4.49Å; F295-H300 CarbonylContact O-C 3.49Å; F295-H300 WeakPolarHBondContact O-CA 3.33Å; F295-H300 PolarHBondContact O-N 3.09Å; H300-L315 HydrophobicContact CB-CD2 3.93Å
301	P	91.9	Very high	89.6	Confident	78 Å²	78	61.1 Å²	61.1	51%	0.506	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-69.8	137.7	177.3	29.8	-34.4	0	0	0	111.6	T296 G299	T296-P301 HydrophobicContact CG2-CB 4.42Å; G299-P301 VanDerWaalsContact C-CD 3.43Å; G299-P301 VanDerWaalsContact O-CD 3.24Å; G299-P301 WeakPolarHBondContact O-CD 3.34Å
302	C	89.8	Confident	89.7	Confident	29 Å²	29	61.1 Å²	61.1	20%	0.196	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-72.1	130.7	173.6	-174.7	0	0	0	0	110.6	F311	C302-F311 HydrophobicContact CB-CD1 4.22Å
303	P	91.8	Very high	89.6	Confident	61 Å²	61	59.1 Å²	59.1	40%	0.396	32%	0.322	S	S	.	.	P	Polyproline II helix	trans	-61.1	150.1	171.1	-21	32.1	0	0	0	112.4	Y305 C306 F311	P303-Y305 VanDerWaalsContact C-N 3.33Å; P303-Y305 PolarHBondContact O-N 3.13Å; P303-C306 HydrophobicContact CB-CB 4.11Å; P303-C306 HydrophobicContact CG-CB 4.31Å; P303-C306 PolarHBondContact O-N 2.63Å; P303-F311 HydrophobicContact CG-CD2 4.45Å; P303-F311 HydrophobicContact CG-CE2 4.22Å
304	R	83.4	Confident	89.5	Confident	238 Å²	238	60.2 Å²	60.2	90%	0.898	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.7	-173.4	-71.7	-174	176.6	-178.2	-0.9	115.3
305	Y	87.1	Confident	89.4	Confident	233 Å²	233	61 Å²	61	91%	0.914	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107	16.3	-177.1	-61.3	-71.7	0	0	0	112.8	P303	P303-Y305 VanDerWaalsContact C-N 3.33Å; P303-Y305 PolarHBondContact O-N 3.13Å
306	C	88.1	Confident	89.2	Confident	62 Å²	62	61.1 Å²	61.1	42%	0.419	33%	0.33	S	S	.	.	S	Bend	trans	-104.3	144.1	176.1	-71.2	0	0	0	0	110.2	P303 P308	P303-C306 HydrophobicContact CB-CB 4.11Å; P303-C306 HydrophobicContact CG-CB 4.31Å; P303-C306 PolarHBondContact O-N 2.63Å; C306-P308 WeakPolarHBondContact O-CD 3.45Å
307	N	90	Very high	89.1	Confident	26 Å²	26	59.6 Å²	59.6	14%	0.139	32%	0.322	C	S	.	.			trans	-68.5	123.4	169.2	177.4	-0.6	0	0	0	108.3	P263 S265 S309 D310 F311	P263-N307 PolarHBondContact O-ND2 2.86Å; S265-N307 WeakPolarHBondContact OG-CB 3.45Å; N307-S309 VanDerWaalsContact C-N 3.28Å; N307-S309 PolarHBondContact ND2-OG 2.92Å; N307-S309 PolarHBondContact O-N 3.47Å; N307-S309 PolarHBondContact OD1-N 2.93Å; N307-S309 VanDerWaalsContact OD1-N 3.12Å; N307-S309 PolarHBondContact OD1-OG 3.39Å; N307-D310 HydrophobicContact CB-CB 3.9Å; N307-D310 PolarHBondContact O-N 3.16Å; N307-F311 PolarHBondContact O-N 3.45Å
308	P	89.6	Confident	88.8	Confident	30 Å²	30	57.6 Å²	57.6	20%	0.195	30%	0.301	C	S	.	.	H	α-helix	trans	-54.9	-43.6	179.2	-27.5	35.5	0	0	0	112.7	F268 M291 V292 C306 D310 F311 Y312	F268-P308 HydrophobicContact CE1-CB 4.49Å; M291-P308 HydrophobicContact CE-CB 3.85Å; V292-P308 HydrophobicContact CG2-CB 3.87Å; V292-P308 HydrophobicContact CG2-CG 4.09Å; C306-P308 WeakPolarHBondContact O-CD 3.45Å; P308-D310 PolarHBondContact O-N 2.69Å; P308-F311 PolarHBondContact O-N 2.9Å; P308-Y312 HydrophobicContact CB-CD2 4.33Å; P308-Y312 HydrophobicContact CB-CE2 4.03Å; P308-Y312 WeakPolarHBondContact O-CD2 3.34Å; P308-Y312 PolarHBondContact O-N 3.01Å
309	S	87.9	Confident	88.7	Confident	3 Å²	3	58.1 Å²	58.1	2%	0.021	30%	0.304	C	S	.	.	H	α-helix	trans	-62.7	-42	-178.8	59.6	0	0	0	0	112.5	P263 N307 V313	P263-S309 PolarHBondContact O-OG 3.4Å; P263-S309 VanDerWaalsContact O-OG 3.11Å; N307-S309 VanDerWaalsContact C-N 3.28Å; N307-S309 PolarHBondContact ND2-OG 2.92Å; N307-S309 PolarHBondContact O-N 3.47Å; N307-S309 PolarHBondContact OD1-N 2.93Å; N307-S309 VanDerWaalsContact OD1-N 3.12Å; N307-S309 PolarHBondContact OD1-OG 3.39Å; S309-V313 WeakPolarHBondContact O-CB 3.39Å; S309-V313 WeakPolarHBondContact O-CG2 3.38Å; S309-V313 PolarHBondContact O-N 3.03Å
310	D	89.8	Confident	88.5	Confident	63 Å²	63	64.2 Å²	64.2	34%	0.337	31%	0.309	S	S	.	.	H	α-helix	trans	-66.3	-48.1	178.3	-160.6	30.2	0	0	0	110.9	N307 P308 Y312 V313 D314	N307-D310 HydrophobicContact CB-CB 3.9Å; N307-D310 PolarHBondContact O-N 3.16Å; P308-D310 PolarHBondContact O-N 2.69Å; D310-Y312 PolarHBondContact O-N 3.43Å; D310-V313 PolarHBondContact O-N 2.87Å; D310-D314 PolarHBondContact O-N 2.97Å
311	F	91.6	Very high	88.3	Confident	58 Å²	58	71.6 Å²	71.6	25%	0.254	34%	0.335	S	S	.	.	H	α-helix	trans	-59.5	-44	179.8	-179.9	-105.8	0	0	0	113	C302 P303 N307 P308 D314 L315	C302-F311 HydrophobicContact CB-CD1 4.22Å; P303-F311 HydrophobicContact CG-CD2 4.45Å; P303-F311 HydrophobicContact CG-CE2 4.22Å; N307-F311 PolarHBondContact O-N 3.45Å; P308-F311 PolarHBondContact O-N 2.9Å; F311-D314 PolarHBondContact O-N 3.45Å; F311-L315 WeakPolarHBondContact O-CB 3.28Å; F311-L315 PolarHBondContact O-N 3.31Å
312	Y	91.1	Very high	88.2	Confident	1 Å²	1	69.5 Å²	69.5	0%	0.004	32%	0.322	C	S	.	.	H	α-helix	trans	-77.8	-28.3	179.4	-60.9	-55.9	0	0	0	113	M291 V292 F295 P308 D310 L315 I316	M291-Y312 HydrophobicContact CE-CD2 3.43Å; M291-Y312 VanDerWaalsContact CE-CD2 3.43Å; M291-Y312 HydrophobicContact CE-CE2 3.73Å; M291-Y312 HydrophobicContact CG-CD2 4.24Å; M291-Y312 HydrophobicContact CG-CE2 4.39Å; M291-Y312 HydrophobicContact SD-CD2 4.03Å; V292-Y312 HydrophobicContact CG2-CE2 4.05Å; F295-Y312 HydrophobicContact CB-CD1 3.92Å; F295-Y312 HydrophobicContact CB-CE1 3.19Å; F295-Y312 HydrophobicContact CD1-CD1 4.12Å; F295-Y312 HydrophobicContact CD1-CE1 4.25Å; F295-Y312 AromaticContact CD2-CD1 3.45Å; F295-Y312 HydrophobicContact CD2-CD1 3.45Å; F295-Y312 VanDerWaalsContact CD2-CD1 3.45Å; F295-Y312 AromaticContact CD2-CD2 3.92Å; F295-Y312 HydrophobicContact CD2-CD2 3.92Å; F295-Y312 AromaticContact CD2-CE1 3.48Å; F295-Y312 HydrophobicContact CD2-CE1 3.48Å; F295-Y312 VanDerWaalsContact CD2-CE1 3.48Å; F295-Y312 AromaticContact CD2-CE2 3.93Å; F295-Y312 HydrophobicContact CD2-CE2 3.93Å; F295-Y312 AromaticContact CD2-CG 3.69Å; F295-Y312 HydrophobicContact CD2-CG 3.69Å; F295-Y312 AromaticContact CD2-CZ 3.71Å; F295-Y312 AromaticContact CE2-CD1 3.97Å; F295-Y312 HydrophobicContact CE2-CD1 3.97Å; F295-Y312 HydrophobicContact CE2-CD2 4.25Å; F295-Y312 HydrophobicContact CE2-CE1 4.43Å; F295-Y312 AromaticContact CE2-CG 3.88Å; F295-Y312 HydrophobicContact CE2-CG 3.88Å; F295-Y312 AromaticContact CG-CD1 3.56Å; F295-Y312 HydrophobicContact CG-CD1 3.56Å; F295-Y312 AromaticContact CG-CE1 3.38Å; F295-Y312 HydrophobicContact CG-CE1 3.38Å; F295-Y312 HydrophobicContact CG-CG 4.28Å; F295-Y312 AromaticContact CG-CZ 3.95Å; F295-Y312 HydrophobicContact CZ-CD1 4.5Å; P308-Y312 HydrophobicContact CB-CD2 4.33Å; P308-Y312 HydrophobicContact CB-CE2 4.03Å; P308-Y312 WeakPolarHBondContact O-CD2 3.34Å; P308-Y312 PolarHBondContact O-N 3.01Å; D310-Y312 PolarHBondContact O-N 3.43Å; Y312-L315 HydrophobicContact CD1-CD2 4.21Å; Y312-L315 PolarHBondContact O-N 3.04Å; Y312-I316 WeakPolarHBondContact O-CG1 3.36Å; Y312-I316 WeakPolarHBondContact O-CG2 3.46Å; Y312-I316 PolarHBondContact O-N 3.19Å; Y312-I316 VanDerWaalsContact O-N 3.12Å
313	V	90.1	Very high	88.1	Confident	5 Å²	5	73.1 Å²	73.1	3%	0.03	35%	0.345	C	S	.	.	H	α-helix	trans	-65.3	-41.5	169.5	169.2	0	0	0	0	110.6	I95 L276 S309 D310 L315 I316 S317	I95-V313 HydrophobicContact CG2-CG2 3.35Å; L276-V313 HydrophobicContact CD1-CG2 4.13Å; S309-V313 WeakPolarHBondContact O-CB 3.39Å; S309-V313 WeakPolarHBondContact O-CG2 3.38Å; S309-V313 PolarHBondContact O-N 3.03Å; D310-V313 PolarHBondContact O-N 2.87Å; V313-L315 VanDerWaalsContact C-N 3.34Å; V313-L315 PolarHBondContact O-N 3.25Å; V313-I316 VanDerWaalsContact O-CG1 3.25Å; V313-I316 WeakPolarHBondContact O-CG1 3.21Å; V313-I316 PolarHBondContact O-N 2.84Å; V313-S317 VanDerWaalsContact O-CB 3.26Å; V313-S317 WeakPolarHBondContact O-CB 3.38Å; V313-S317 PolarHBondContact O-N 3.33Å
314	D	88.8	Confident	88	Confident	87 Å²	87	78 Å²	78	47%	0.465	36%	0.362	S	S	.	.	H	α-helix	trans	-63.4	-41.4	174.6	-75.8	-14.5	0	0	0	111.5	D310 F311 I316 S317	D310-D314 PolarHBondContact O-N 2.97Å; F311-D314 PolarHBondContact O-N 3.45Å; D314-I316 VanDerWaalsContact C-N 3.33Å; D314-I316 PolarHBondContact O-N 2.92Å; D314-S317 PolarHBondContact O-N 2.86Å; D314-S317 PolarHBondContact O-OG 3.45Å
315	L	88.8	Confident	88.1	Confident	17 Å²	17	73 Å²	73	9%	0.089	34%	0.343	C	S	.	.	H	α-helix	trans	-60.8	-38.8	177.9	-177	66.4	0	0	0	112.9	F295 H300 F311 Y312 V313 R332 L336	F295-L315 HydrophobicContact CD1-CD2 4.29Å; H300-L315 HydrophobicContact CB-CD2 3.93Å; F311-L315 WeakPolarHBondContact O-CB 3.28Å; F311-L315 PolarHBondContact O-N 3.31Å; Y312-L315 HydrophobicContact CD1-CD2 4.21Å; Y312-L315 PolarHBondContact O-N 3.04Å; V313-L315 VanDerWaalsContact C-N 3.34Å; V313-L315 PolarHBondContact O-N 3.25Å; L315-R332 PolarHBondContact O-NE 3.41Å; L315-R332 PolarHBondContact O-NH2 3.5Å; L315-L336 HydrophobicContact CD2-CD1 4.42Å; L315-L336 HydrophobicContact CG-CD1 4.45Å
316	I	87.8	Confident	88.1	Confident	1 Å²	1	64.9 Å²	64.9	1%	0.005	31%	0.314	C	S	.	.	H	α-helix	trans	-89	-15.5	180	71.4	-176.8	0	0	0	113	L276 S278 V283 Y312 V313 D314	L276-I316 HydrophobicContact CD1-CD1 3.46Å; L276-I316 VanDerWaalsContact CD1-CD1 3.46Å; L276-I316 HydrophobicContact CD2-CD1 3.78Å; L276-I316 HydrophobicContact CD2-CG2 3.7Å; L276-I316 HydrophobicContact CG-CD1 3.36Å; L276-I316 HydrophobicContact CG-CG2 4.37Å; S278-I316 PolarHBondContact OG-O 2.93Å; V283-I316 HydrophobicContact CB-CG2 4.24Å; V283-I316 HydrophobicContact CG1-CG2 3.94Å; V283-I316 HydrophobicContact CG2-CG2 4.07Å; Y312-I316 WeakPolarHBondContact O-CG1 3.36Å; Y312-I316 WeakPolarHBondContact O-CG2 3.46Å; Y312-I316 PolarHBondContact O-N 3.19Å; Y312-I316 VanDerWaalsContact O-N 3.12Å; V313-I316 VanDerWaalsContact O-CG1 3.25Å; V313-I316 WeakPolarHBondContact O-CG1 3.21Å; V313-I316 PolarHBondContact O-N 2.84Å; D314-I316 VanDerWaalsContact C-N 3.33Å; D314-I316 PolarHBondContact O-N 2.92Å
317	S	87.2	Confident	88.1	Confident	36 Å²	36	64.7 Å²	64.7	25%	0.252	32%	0.317	S	S	.	.			trans	-65.4	148.8	-177.9	73.6	0	0	0	0	111.1	V313 D314	V313-S317 VanDerWaalsContact O-CB 3.26Å; V313-S317 WeakPolarHBondContact O-CB 3.38Å; V313-S317 PolarHBondContact O-N 3.33Å; D314-S317 PolarHBondContact O-N 2.86Å; D314-S317 PolarHBondContact O-OG 3.45Å
318	I	84.3	Confident	88	Confident	32 Å²	32	70.1 Å²	70.1	16%	0.164	34%	0.341	C	S	.	.			trans	-106.8	115.6	-179.5	-64.3	158.3	0	0	0	108	S279 R320 E326 C329 L330	S279-I318 WeakPolarHBondContact OG-CD1 3.33Å; I318-R320 HydrophobicContact CG2-CG 4.31Å; I318-R320 PolarHBondContact O-N 2.83Å; I318-E326 HydrophobicContact CG2-CG 3.91Å; I318-C329 HydrophobicContact CB-CB 4.33Å; I318-C329 HydrophobicContact CG1-CB 4.22Å; I318-C329 HydrophobicContact CG2-CB 4.21Å; I318-L330 HydrophobicContact CD1-CD2 3.52Å; I318-L330 HydrophobicContact CD1-CG 4.23Å; I318-L330 HydrophobicContact CG1-CD2 4.31Å; I318-L330 HydrophobicContact CG2-CG 4.35Å
319	D	84.9	Confident	87.8	Confident	44 Å²	44	69.3 Å²	69.3	24%	0.235	34%	0.336	C	S	.	.			trans	-80.8	111.4	173.3	-173.9	3.5	0	0	0	109.8	R321 R325 E326	D319-R321 VanDerWaalsContact OD1-CB 3.23Å; D319-R321 WeakPolarHBondContact OD1-CB 3.15Å; D319-R321 VanDerWaalsContact OD1-CD 3.31Å; D319-R321 WeakPolarHBondContact OD1-CD 3.35Å; D319-R321 WeakPolarHBondContact OD1-CG 3.29Å; D319-R321 PolarHBondContact OD1-N 3.44Å; D319-R321 IonicContact OD1-NE 3.68Å; D319-R325 IonicContact OD2-NH1 2.79Å; D319-E326 WeakPolarHBondContact O-CA 3.37Å; D319-E326 PolarHBondContact O-N 3.4Å
320	R	84.1	Confident	87.7	Confident	184 Å²	184	72.8 Å²	72.8	69%	0.694	35%	0.354	S	S	*	.			trans	-90.1	7.6	179	-62.9	-175.3	175.9	159.4	2.2	113.8	I318 S322 E326	I318-R320 HydrophobicContact CG2-CG 4.31Å; I318-R320 PolarHBondContact O-N 2.83Å; R320-S322 VanDerWaalsContact C-N 3.29Å; R320-S322 PolarHBondContact O-N 3.43Å; R320-E326 IonicContact NE-OE1 3.53Å
321	R	87.3	Confident	87.6	Confident	216 Å²	216	74.6 Å²	74.6	82%	0.815	36%	0.36	S	S	*	.	S	Bend	trans	-66.1	-29.7	-177.5	-72.5	169.8	-176.2	178.6	3	113.4	D319	D319-R321 VanDerWaalsContact OD1-CB 3.23Å; D319-R321 WeakPolarHBondContact OD1-CB 3.15Å; D319-R321 VanDerWaalsContact OD1-CD 3.31Å; D319-R321 WeakPolarHBondContact OD1-CD 3.35Å; D319-R321 WeakPolarHBondContact OD1-CG 3.29Å; D319-R321 PolarHBondContact OD1-N 3.44Å; D319-R321 IonicContact OD1-NE 3.68Å
322	S	89.4	Confident	87.4	Confident	34 Å²	34	75.8 Å²	75.8	24%	0.238	36%	0.363	C	S	.	.	S	Bend	trans	-139.1	144.6	173.2	66.9	0	0	0	0	110.9	R320 E324 R325 E326	R320-S322 VanDerWaalsContact C-N 3.29Å; R320-S322 PolarHBondContact O-N 3.43Å; S322-E324 PolarHBondContact O-N 2.78Å; S322-R325 PolarHBondContact O-N 3.48Å; S322-R325 WeakPolarHBondContact OG-CB 3.38Å; S322-R325 WeakPolarHBondContact OG-CD 3.31Å; S322-R325 VanDerWaalsContact OG-CG 3.26Å; S322-R325 WeakPolarHBondContact OG-CG 3.44Å; S322-R325 PolarHBondContact OG-N 3.01Å; S322-E326 PolarHBondContact O-N 3.06Å
323	P	87.3	Confident	87.2	Confident	104 Å²	104	76 Å²	76	68%	0.675	37%	0.365	S	S	*	.	H	α-helix	trans	-63.6	-30.9	-177.4	25.4	-34.5	0	0	0	112.4	A327	P323-A327 WeakPolarHBondContact O-CB 3.45Å; P323-A327 PolarHBondContact O-N 2.79Å; P323-A327 VanDerWaalsContact O-N 3.07Å
324	E	88.9	Confident	87.1	Confident	164 Å²	164	82.8 Å²	82.8	77%	0.766	39%	0.39	S	S	*	.	H	α-helix	trans	-66.3	-45.3	176.1	-65	175.8	-179.9	0	0	111.9	S322 A327 E328	S322-E324 PolarHBondContact O-N 2.78Å; E324-A327 PolarHBondContact O-N 3.43Å; E324-E328 PolarHBondContact O-N 3.14Å
325	R	86.2	Confident	87.1	Confident	132 Å²	132	82.5 Å²	82.5	50%	0.498	39%	0.388	S	S	.	.	H	α-helix	trans	-70	-35.8	177.5	-74.1	-179.6	179.5	-179.7	1.5	112	D319 S322 A327 E328 C329	D319-R325 IonicContact OD2-NH1 2.79Å; S322-R325 PolarHBondContact O-N 3.48Å; S322-R325 WeakPolarHBondContact OG-CB 3.38Å; S322-R325 WeakPolarHBondContact OG-CD 3.31Å; S322-R325 VanDerWaalsContact OG-CG 3.26Å; S322-R325 WeakPolarHBondContact OG-CG 3.44Å; S322-R325 PolarHBondContact OG-N 3.01Å; R325-A327 VanDerWaalsContact C-N 3.34Å; R325-E328 PolarHBondContact O-N 3.47Å; R325-C329 WeakPolarHBondContact O-CB 3.26Å; R325-C329 PolarHBondContact O-N 3.3Å; R325-C329 PolarHBondContact O-SG 3.48Å
326	E	88	Confident	87.1	Confident	64 Å²	64	82 Å²	82	30%	0.299	39%	0.386	S	S	.	.	H	α-helix	trans	-60.6	-47.1	175.2	-178.9	170.1	-158.8	0	0	110.4	I318 D319 R320 S322 C329 L330	I318-E326 HydrophobicContact CG2-CG 3.91Å; D319-E326 WeakPolarHBondContact O-CA 3.37Å; D319-E326 PolarHBondContact O-N 3.4Å; R320-E326 IonicContact NE-OE1 3.53Å; S322-E326 PolarHBondContact O-N 3.06Å; E326-C329 PolarHBondContact O-N 2.98Å; E326-L330 HydrophobicContact CG-CD1 3.9Å; E326-L330 HydrophobicContact CG-CG 4.48Å; E326-L330 WeakPolarHBondContact O-CB 3.17Å; E326-L330 VanDerWaalsContact O-CG 3.24Å; E326-L330 WeakPolarHBondContact O-CG 3.42Å; E326-L330 PolarHBondContact O-N 3.39Å
327	A	87.6	Confident	87	Confident	57 Å²	57	82.2 Å²	82.2	47%	0.471	39%	0.387	S	S	.	.	H	α-helix	trans	-61.4	-43.9	176.4	0	0	0	0	0	112.3	P323 E324 R325 L330 E331	P323-A327 WeakPolarHBondContact O-CB 3.45Å; P323-A327 PolarHBondContact O-N 2.79Å; P323-A327 VanDerWaalsContact O-N 3.07Å; E324-A327 PolarHBondContact O-N 3.43Å; R325-A327 VanDerWaalsContact C-N 3.34Å; A327-L330 PolarHBondContact O-N 3.46Å; A327-E331 WeakPolarHBondContact O-CB 3.48Å; A327-E331 PolarHBondContact O-N 3.43Å
328	E	87.7	Confident	87.1	Confident	140 Å²	140	84.6 Å²	84.6	65%	0.654	39%	0.394	S	S	*	.	H	α-helix	trans	-62.1	-45.6	176.6	-173	-175.4	178.4	0	0	112.1	E324 R325 E331 R332	E324-E328 PolarHBondContact O-N 3.14Å; R325-E328 PolarHBondContact O-N 3.47Å; E328-E331 PolarHBondContact O-N 3.1Å; E328-R332 WeakPolarHBondContact O-CB 3.32Å; E328-R332 PolarHBondContact O-N 2.92Å
329	C	86.1	Confident	87.2	Confident	14 Å²	14	86.7 Å²	86.7	10%	0.095	40%	0.403	C	S	.	.	H	α-helix	trans	-66.5	-39.3	179.4	-67.5	0	0	0	0	112	I318 R325 E326 R332 S333	I318-C329 HydrophobicContact CB-CB 4.33Å; I318-C329 HydrophobicContact CG1-CB 4.22Å; I318-C329 HydrophobicContact CG2-CB 4.21Å; R325-C329 WeakPolarHBondContact O-CB 3.26Å; R325-C329 PolarHBondContact O-N 3.3Å; R325-C329 PolarHBondContact O-SG 3.48Å; E326-C329 PolarHBondContact O-N 2.98Å; C329-R332 PolarHBondContact O-N 2.88Å; C329-S333 WeakPolarHBondContact O-CB 3.36Å; C329-S333 PolarHBondContact O-N 3.17Å
330	L	85.1	Confident	87.2	Confident	76 Å²	76	85.1 Å²	85.1	40%	0.398	40%	0.395	S	S	.	.	H	α-helix	trans	-62.7	-45.8	175.9	-79.3	168.5	0	0	0	111.3	I318 E326 A327 S333 R334	I318-L330 HydrophobicContact CD1-CD2 3.52Å; I318-L330 HydrophobicContact CD1-CG 4.23Å; I318-L330 HydrophobicContact CG1-CD2 4.31Å; I318-L330 HydrophobicContact CG2-CG 4.35Å; E326-L330 HydrophobicContact CG-CD1 3.9Å; E326-L330 HydrophobicContact CG-CG 4.48Å; E326-L330 WeakPolarHBondContact O-CB 3.17Å; E326-L330 VanDerWaalsContact O-CG 3.24Å; E326-L330 WeakPolarHBondContact O-CG 3.42Å; E326-L330 PolarHBondContact O-N 3.39Å; A327-L330 PolarHBondContact O-N 3.46Å; L330-S333 PolarHBondContact O-N 2.81Å; L330-R334 WeakPolarHBondContact O-CB 3.34Å; L330-R334 PolarHBondContact O-N 3.46Å
331	E	87.9	Confident	87.2	Confident	100 Å²	100	79.5 Å²	79.5	47%	0.467	38%	0.375	S	S	.	.	H	α-helix	trans	-63.6	-44.4	178.1	-171.6	61.6	-166.9	0	0	111.2	A327 E328 S333 R334 L335	A327-E331 WeakPolarHBondContact O-CB 3.48Å; A327-E331 PolarHBondContact O-N 3.43Å; E328-E331 PolarHBondContact O-N 3.1Å; E331-S333 PolarHBondContact O-N 3.49Å; E331-R334 WeakPolarHBondContact O-CB 3.26Å; E331-R334 PolarHBondContact O-N 2.89Å; E331-L335 HydrophobicContact CG-CD1 4.29Å; E331-L335 VanDerWaalsContact O-CG 3.32Å; E331-L335 WeakPolarHBondContact O-CG 3.41Å; E331-L335 PolarHBondContact O-N 2.97Å
332	R	87.9	Confident	87	Confident	83 Å²	83	76 Å²	76	31%	0.313	37%	0.368	S	S	.	.	H	α-helix	trans	-57.6	-48.9	174.2	-179.4	179.6	65	-172.5	-1.5	111.7	L315 E328 C329 R334 L335 L336	L315-R332 PolarHBondContact O-NE 3.41Å; L315-R332 PolarHBondContact O-NH2 3.5Å; E328-R332 WeakPolarHBondContact O-CB 3.32Å; E328-R332 PolarHBondContact O-N 2.92Å; C329-R332 PolarHBondContact O-N 2.88Å; R332-R334 VanDerWaalsContact C-N 3.28Å; R332-R334 PolarHBondContact O-N 2.72Å; R332-L335 PolarHBondContact O-N 3.43Å; R332-L336 HydrophobicContact CG-CD1 4.21Å; R332-L336 WeakPolarHBondContact O-CG 3.36Å; R332-L336 PolarHBondContact O-N 2.91Å
333	S	86.7	Confident	86.5	Confident	7 Å²	7	79 Å²	79	5%	0.049	38%	0.377	C	S	.	.	H	α-helix	trans	-62.1	-38.3	179.2	-175	0	0	0	0	111.8	S278 C329 L330 E331 S337	S278-S333 VanDerWaalsContact CB-OG 3.28Å; S278-S333 WeakPolarHBondContact CB-OG 3.32Å; S278-S333 PolarHBondContact OG-OG 3.41Å; S278-S333 VanDerWaalsContact OG-OG 3.07Å; C329-S333 WeakPolarHBondContact O-CB 3.36Å; C329-S333 PolarHBondContact O-N 3.17Å; L330-S333 PolarHBondContact O-N 2.81Å; E331-S333 PolarHBondContact O-N 3.49Å; S333-S337 WeakPolarHBondContact O-CB 2.93Å; S333-S337 PolarHBondContact O-N 3.27Å; S333-S337 PolarHBondContact O-OG 2.88Å
334	R	87.3	Confident	86.2	Confident	147 Å²	147	74.4 Å²	74.4	56%	0.555	35%	0.347	S	S	*	.	H	α-helix	trans	-63.7	-51.5	177.1	-177.8	-177.9	174.9	159.9	-1	111	L330 E331 R332 L336 S337 E338	L330-R334 WeakPolarHBondContact O-CB 3.34Å; L330-R334 PolarHBondContact O-N 3.46Å; E331-R334 WeakPolarHBondContact O-CB 3.26Å; E331-R334 PolarHBondContact O-N 2.89Å; R332-R334 VanDerWaalsContact C-N 3.28Å; R332-R334 PolarHBondContact O-N 2.72Å; R334-L336 VanDerWaalsContact C-N 3.32Å; R334-L336 PolarHBondContact O-N 3.04Å; R334-S337 PolarHBondContact O-N 3.29Å; R334-S337 VanDerWaalsContact O-N 3.08Å; R334-S337 PolarHBondContact O-OG 3.47Å; R334-E338 HydrophobicContact CG-CG 4.49Å; R334-E338 IonicContact CZ-OE1 3.85Å; R334-E338 IonicContact NE-OE1 3.8Å; R334-E338 PolarHBondContact NE-OE1 3.01Å; R334-E338 IonicContact NH2-OE1 3.95Å; R334-E338 PolarHBondContact NH2-OE1 3.26Å; R334-E338 PolarHBondContact O-N 3.4Å
335	L	89.4	Confident	85	Confident	80 Å²	80	73.9 Å²	73.9	42%	0.419	34%	0.344	S	S	.	.	H	α-helix	trans	-56	-46	178.4	-70.6	169.7	0	0	0	111.8	E331 R332 S337 E338 Q339	E331-L335 HydrophobicContact CG-CD1 4.29Å; E331-L335 VanDerWaalsContact O-CG 3.32Å; E331-L335 WeakPolarHBondContact O-CG 3.41Å; E331-L335 PolarHBondContact O-N 2.97Å; R332-L335 PolarHBondContact O-N 3.43Å; L335-S337 VanDerWaalsContact C-N 3.33Å; L335-S337 PolarHBondContact O-N 3.38Å; L335-E338 PolarHBondContact O-N 3Å; L335-Q339 WeakPolarHBondContact O-CB 3.36Å; L335-Q339 VanDerWaalsContact O-CG 3.3Å; L335-Q339 WeakPolarHBondContact O-CG 3.39Å; L335-Q339 PolarHBondContact O-N 2.59Å
336	L	88.1	Confident	83.9	Confident	7 Å²	7	75.2 Å²	75.2	4%	0.037	36%	0.361	C	S	.	.	H	α-helix	trans	-63	-38.6	177.5	-68.9	172.5	0	0	0	112.2	V283 L298 L315 R332 R334 F340	V283-L336 HydrophobicContact CG1-CB 3.81Å; V283-L336 HydrophobicContact CG1-CD1 4.41Å; L298-L336 HydrophobicContact CD1-CD2 3.99Å; L315-L336 HydrophobicContact CD2-CD1 4.42Å; L315-L336 HydrophobicContact CG-CD1 4.45Å; R332-L336 HydrophobicContact CG-CD1 4.21Å; R332-L336 WeakPolarHBondContact O-CG 3.36Å; R332-L336 PolarHBondContact O-N 2.91Å; R334-L336 VanDerWaalsContact C-N 3.32Å; R334-L336 PolarHBondContact O-N 3.04Å; L336-F340 WeakPolarHBondContact O-CB 3.36Å; L336-F340 PolarHBondContact O-N 3.05Å
337	S	86.4	Confident	83	Confident	6 Å²	6	73.4 Å²	73.4	4%	0.042	36%	0.356	C	S	.	.	H	α-helix	trans	-70	-35.6	177.3	75.8	0	0	0	0	113.2	S333 R334 L335 F340 K341	S333-S337 WeakPolarHBondContact O-CB 2.93Å; S333-S337 PolarHBondContact O-N 3.27Å; S333-S337 PolarHBondContact O-OG 2.88Å; R334-S337 PolarHBondContact O-N 3.29Å; R334-S337 VanDerWaalsContact O-N 3.08Å; R334-S337 PolarHBondContact O-OG 3.47Å; L335-S337 VanDerWaalsContact C-N 3.33Å; L335-S337 PolarHBondContact O-N 3.38Å; S337-F340 PolarHBondContact O-N 2.71Å; S337-K341 WeakPolarHBondContact O-CG 3.36Å; S337-K341 PolarHBondContact O-N 3.46Å; S337-K341 VanDerWaalsContact O-N 3.07Å
338	E	87.8	Confident	81.8	Confident	85 Å²	85	77.7 Å²	77.7	40%	0.397	37%	0.371	S	S	.	.	H	α-helix	trans	-69.9	-43.5	176.5	-72.6	177.6	-179.2	0	0	110.7	R334 L335 F340 K341 E342	R334-E338 HydrophobicContact CG-CG 4.49Å; R334-E338 IonicContact CZ-OE1 3.85Å; R334-E338 IonicContact NE-OE1 3.8Å; R334-E338 PolarHBondContact NE-OE1 3.01Å; R334-E338 IonicContact NH2-OE1 3.95Å; R334-E338 PolarHBondContact NH2-OE1 3.26Å; R334-E338 PolarHBondContact O-N 3.4Å; L335-E338 PolarHBondContact O-N 3Å; E338-F340 VanDerWaalsContact C-N 3.31Å; E338-F340 PolarHBondContact O-N 3.3Å; E338-K341 PolarHBondContact O-N 3.09Å; E338-E342 PolarHBondContact O-N 3.03Å
339	Q	87.1	Confident	80.5	Confident	76 Å²	76	72.5 Å²	72.5	36%	0.355	35%	0.348	S	S	.	.	H	α-helix	trans	-61.3	-37.7	173.8	-73.4	176.9	-7.5	0	0	112.7	L335 K343	L335-Q339 WeakPolarHBondContact O-CB 3.36Å; L335-Q339 VanDerWaalsContact O-CG 3.3Å; L335-Q339 WeakPolarHBondContact O-CG 3.39Å; L335-Q339 PolarHBondContact O-N 2.59Å; Q339-K343 WeakPolarHBondContact O-CG 3.33Å; Q339-K343 PolarHBondContact O-N 3.07Å; Q339-K343 VanDerWaalsContact O-N 3.16Å
340	F	85.7	Confident	79.6	Confident	12 Å²	12	74.4 Å²	74.4	5%	0.053	36%	0.355	C	S	.	.	H	α-helix	trans	-63.2	-47.6	174	179.3	-107.3	0	0	0	111.2	A282 V283 Y284 F285 Y294 L336 S337 E338 E342 K343 V344 W352	A282-F340 HydrophobicContact CB-CE1 4.41Å; V283-F340 WeakPolarHBondContact O-CB 3.33Å; V283-F340 WeakPolarHBondContact O-CG 3.49Å; Y284-F340 HydrophobicContact CD2-CE2 4.41Å; F285-F340 HydrophobicContact CB-CE1 4.35Å; F285-F340 HydrophobicContact CB-CZ 3.74Å; F285-F340 VanDerWaalsContact N-CE2 3.28Å; Y294-F340 HydrophobicContact CE2-CD2 4.23Å; Y294-F340 AromaticContact CZ-CD2 3.87Å; Y294-F340 WeakPolarHBondContact OH-CA 3.5Å; Y294-F340 VanDerWaalsContact OH-CB 3.31Å; Y294-F340 WeakPolarHBondContact OH-CB 3.3Å; Y294-F340 WeakPolarHBondContact OH-CD2 3.15Å; L336-F340 WeakPolarHBondContact O-CB 3.36Å; L336-F340 PolarHBondContact O-N 3.05Å; S337-F340 PolarHBondContact O-N 2.71Å; E338-F340 VanDerWaalsContact C-N 3.31Å; E338-F340 PolarHBondContact O-N 3.3Å; F340-E342 VanDerWaalsContact C-N 3.34Å; F340-E342 PolarHBondContact O-N 3.07Å; F340-K343 PolarHBondContact O-N 2.97Å; F340-V344 HydrophobicContact CD2-CG2 4.06Å; F340-V344 HydrophobicContact CE1-CG2 4.27Å; F340-V344 HydrophobicContact CE2-CG2 3.57Å; F340-V344 HydrophobicContact CZ-CB 4.4Å; F340-V344 HydrophobicContact CZ-CG1 4.43Å; F340-V344 HydrophobicContact CZ-CG2 3.66Å; F340-V344 WeakPolarHBondContact O-CB 3.25Å; F340-V344 WeakPolarHBondContact O-CG2 3.38Å; F340-V344 PolarHBondContact O-N 3.02Å; F340-W352 HydrophobicContact CE2-CB 4.17Å
341	K	83	Confident	79.2	Confident	66 Å²	66	72.6 Å²	72.6	29%	0.287	35%	0.345	S	S	.	.	H	α-helix	trans	-58.8	-45.1	178.8	-76.2	172.2	179.8	170.6	0	111.8	S337 E338 K343 V344 Q345	S337-K341 WeakPolarHBondContact O-CG 3.36Å; S337-K341 PolarHBondContact O-N 3.46Å; S337-K341 VanDerWaalsContact O-N 3.07Å; E338-K341 PolarHBondContact O-N 3.09Å; K341-K343 PolarHBondContact O-N 3.22Å; K341-V344 PolarHBondContact O-N 3.39Å; K341-Q345 WeakPolarHBondContact O-CB 3.18Å; K341-Q345 PolarHBondContact O-N 2.66Å
342	E	83.1	Confident	78.4	Confident	141 Å²	141	69.5 Å²	69.5	66%	0.659	33%	0.329	S	S	*	.	H	α-helix	trans	-60.6	-43.8	177.9	-171.9	179.4	-169.3	0	0	111.9	E338 F340 V344	E338-E342 PolarHBondContact O-N 3.03Å; F340-E342 VanDerWaalsContact C-N 3.34Å; F340-E342 PolarHBondContact O-N 3.07Å; E342-V344 PolarHBondContact O-N 3.18Å
343	K	79.8	Confident	77.7	Confident	99 Å²	99	70.6 Å²	70.6	43%	0.43	34%	0.336	S	S	.	.	H	α-helix	trans	-71	-15.8	-179.7	-73.5	-177.4	177.2	-176.4	0	114.7	Y294 Q339 F340 K341	Y294-K343 HydrophobicContact CE2-CD 4.16Å; Q339-K343 WeakPolarHBondContact O-CG 3.33Å; Q339-K343 PolarHBondContact O-N 3.07Å; Q339-K343 VanDerWaalsContact O-N 3.16Å; F340-K343 PolarHBondContact O-N 2.97Å; K341-K343 PolarHBondContact O-N 3.22Å
344	V	79.6	Confident	76.5	Confident	7 Å²	7	71.6 Å²	71.6	4%	0.042	34%	0.343	C	S	.	.	H	α-helix	trans	-113.8	-8.7	-172.9	172.2	0	0	0	0	112.4	F340 K341 E342 D346 S347 H350 W352	F340-V344 HydrophobicContact CD2-CG2 4.06Å; F340-V344 HydrophobicContact CE1-CG2 4.27Å; F340-V344 HydrophobicContact CE2-CG2 3.57Å; F340-V344 HydrophobicContact CZ-CB 4.4Å; F340-V344 HydrophobicContact CZ-CG1 4.43Å; F340-V344 HydrophobicContact CZ-CG2 3.66Å; F340-V344 WeakPolarHBondContact O-CB 3.25Å; F340-V344 WeakPolarHBondContact O-CG2 3.38Å; F340-V344 PolarHBondContact O-N 3.02Å; K341-V344 PolarHBondContact O-N 3.39Å; E342-V344 PolarHBondContact O-N 3.18Å; V344-D346 PolarHBondContact O-N 3.04Å; V344-D346 VanDerWaalsContact O-N 3.09Å; V344-S347 PolarHBondContact O-N 3.15Å; V344-H350 VanDerWaalsContact CG1-CA 3.46Å; V344-H350 HydrophobicContact CG1-CB 4.1Å; V344-H350 WeakPolarHBondContact CG1-O 3.26Å; V344-W352 HydrophobicContact CG2-CB 4.26Å
345	Q	64.8	Low	74.8	Confident	152 Å²	152	69 Å²	69	71%	0.71	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-31.4	-175.8	-168.6	168.1	-6.8	0	0	113.7	K341	K341-Q345 WeakPolarHBondContact O-CB 3.18Å; K341-Q345 PolarHBondContact O-N 2.66Å
346	D	62.9	Low	72.8	Confident	160 Å²	160	73.6 Å²	73.6	86%	0.856	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	2.8	-178.4	-60.5	-34.1	0	0	0	114.2	V344	V344-D346 PolarHBondContact O-N 3.04Å; V344-D346 VanDerWaalsContact O-N 3.09Å
347	S	69.3	Low	70.7	Confident	27 Å²	27	75.6 Å²	75.6	19%	0.189	38%	0.384	C	S	.	.			trans	-97.7	118.2	-177.7	-175.8	0	0	0	0	111.5	V344 D349 H350 M351	V344-S347 PolarHBondContact O-N 3.15Å; S347-D349 PolarHBondContact O-N 2.84Å; S347-D349 VanDerWaalsContact O-N 3.14Å; S347-H350 PolarHBondContact O-N 3.27Å; S347-M351 PolarHBondContact OG-O 2.82Å; S347-M351 VanDerWaalsContact OG-O 3.07Å
348	D	61.5	Low	68.3	Low	146 Å²	146	78.9 Å²	78.9	78%	0.781	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-23	178.7	-70.2	-26.3	0	0	0	114.4
349	D	62.1	Low	65.8	Low	32 Å²	32	78.5 Å²	78.5	17%	0.171	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	0.8	178.7	-62.8	-41.9	0	0	0	112.4	R85 R87 S347 M351 K353	R85-D349 IonicContact CZ-OD1 3.88Å; R85-D349 IonicContact NE-OD1 3.7Å; R85-D349 IonicContact NH1-OD1 2.87Å; R85-D349 PolarHBondContact NH1-OD1 3.36Å; R87-D349 IonicContact NH2-OD1 3.92Å; R87-D349 PolarHBondContact NH2-OD1 3.08Å; S347-D349 PolarHBondContact O-N 2.84Å; S347-D349 VanDerWaalsContact O-N 3.14Å; D349-M351 HydrophobicContact CB-CB 4.14Å; D349-M351 PolarHBondContact O-N 3.06Å; D349-K353 IonicContact OD2-NZ 3.18Å; D349-K353 PolarHBondContact OD2-NZ 3.49Å
350	H	66.6	Low	63.3	Low	53 Å²	53	78.3 Å²	78.3	25%	0.245	43%	0.431	C	S	.	.			trans	51.2	21.6	-169.5	-59	-56.4	0	0	0	114.1	F285 V344 S347	F285-H350 VanDerWaalsContact CD1-O 3.24Å; F285-H350 WeakPolarHBondContact CD1-O 3.28Å; V344-H350 VanDerWaalsContact CG1-CA 3.46Å; V344-H350 HydrophobicContact CG1-CB 4.1Å; V344-H350 WeakPolarHBondContact CG1-O 3.26Å; S347-H350 PolarHBondContact O-N 3.27Å
351	M	76.4	Confident	60.9	Low	38 Å²	38	85 Å²	85	19%	0.187	46%	0.456	C	S	.	.			trans	-104.8	136.3	-175.4	-168.6	174.4	59.6	0	0	110.1	L273 F285 S347 D349 K353	L273-M351 HydrophobicContact CD2-SD 3.67Å; F285-M351 HydrophobicContact CE1-CB 4.24Å; S347-M351 PolarHBondContact OG-O 2.82Å; S347-M351 VanDerWaalsContact OG-O 3.07Å; D349-M351 HydrophobicContact CB-CB 4.14Å; D349-M351 PolarHBondContact O-N 3.06Å; M351-K353 HydrophobicContact CE-CD 4.38Å; M351-K353 HydrophobicContact CE-CG 4.14Å
352	W	71.1	Confident	58.6	Low	35 Å²	35	88.1 Å²	88.1	13%	0.133	48%	0.475	C	S	.	.	B	Isolated β-bridge	trans	-71.1	129.4	170.4	-172.5	79.8	0	0	0	110.5	Y284 F285 D290 P293 Y294 F340 V344 P354	Y284-W352 HydrophobicContact CE2-CB 4.27Å; Y284-W352 HydrophobicContact CE2-CE3 4.23Å; F285-W352 PolarHBondContact O-N 2.76Å; D290-W352 HydrophobicContact CB-CE3 4.04Å; D290-W352 HydrophobicContact CB-CZ3 3.83Å; D290-W352 WeakPolarHBondContact O-CZ3 3.34Å; P293-W352 HydrophobicContact CB-CH2 4.47Å; Y294-W352 AromaticContact CD2-CD1 3.83Å; Y294-W352 AromaticContact CD2-CD2 3.68Å; Y294-W352 HydrophobicContact CD2-CD2 3.68Å; Y294-W352 AromaticContact CD2-CE2 3.6Å; Y294-W352 HydrophobicContact CD2-CE3 4.29Å; Y294-W352 AromaticContact CD2-CG 3.85Å; Y294-W352 HydrophobicContact CD2-CG 3.85Å; Y294-W352 HydrophobicContact CD2-CZ2 4.12Å; Y294-W352 AromaticContact CD2-NE1 3.69Å; Y294-W352 AromaticContact CE2-CD1 3.95Å; Y294-W352 HydrophobicContact CE2-CG 4.24Å; Y294-W352 HydrophobicContact CG-CD2 4.37Å; F340-W352 HydrophobicContact CE2-CB 4.17Å; V344-W352 HydrophobicContact CG2-CB 4.26Å; W352-P354 HydrophobicContact CH2-CB 4.28Å; W352-P354 HydrophobicContact CH2-CG 4.17Å; W352-P354 HydrophobicContact CZ3-CG 3.91Å
353	K	74	Confident	56.1	Low	106 Å²	106	89.7 Å²	89.7	46%	0.461	48%	0.482	S	S	.	.			trans	-124.9	136.6	176.5	-66.7	174.5	-175.4	166.4	0	108.5	D349 M351	D349-K353 IonicContact OD2-NZ 3.18Å; D349-K353 PolarHBondContact OD2-NZ 3.49Å; M351-K353 HydrophobicContact CE-CD 4.38Å; M351-K353 HydrophobicContact CE-CG 4.14Å
354	P	60.9	Low	53.8	Low	29 Å²	29	89.1 Å²	89.1	19%	0.188	49%	0.491	C	S	.	.			trans	-60.6	143.1	173.2	-17.4	27.6	0	0	0	111	W352 E356 T357	W352-P354 HydrophobicContact CH2-CB 4.28Å; W352-P354 HydrophobicContact CH2-CG 4.17Å; W352-P354 HydrophobicContact CZ3-CG 3.91Å; P354-E356 PolarHBondContact O-N 3.19Å; P354-T357 PolarHBondContact O-N 3.41Å; P354-T357 VanDerWaalsContact O-N 3.14Å
355	A	52.3	Low	51.5	Low	93 Å²	93	92.4 Å²	92.4	77%	0.769	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-14.1	-177	0	0	0	0	0	114.9	S358	A355-S358 PolarHBondContact O-OG 3.21Å; A355-S358 VanDerWaalsContact O-OG 3.08Å
356	E	45.8	Very low	49.8	Very low	176 Å²	176	93.5 Å²	93.5	82%	0.822	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-15.3	-179.2	-63.3	-178.8	176.3	0	0	113.5	P354	P354-E356 PolarHBondContact O-N 3.19Å
357	T	43.6	Very low	48.2	Very low	48 Å²	48	94.5 Å²	94.5	29%	0.294	52%	0.523	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-12.7	-174.5	-40.8	0	0	0	0	112.9	P354 A359 A360 Y361	P354-T357 PolarHBondContact O-N 3.41Å; P354-T357 VanDerWaalsContact O-N 3.14Å; T357-A359 PolarHBondContact O-N 3.27Å; T357-A360 PolarHBondContact O-N 2.99Å; T357-Y361 HydrophobicContact CG2-CD2 3.54Å; T357-Y361 HydrophobicContact CG2-CE2 3.78Å; T357-Y361 PolarHBondContact O-N 3.12Å
358	S	36.5	Very low	46.3	Very low	76 Å²	76	98.3 Å²	98.3	53%	0.531	55%	0.548	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-21.4	176.6	36.2	0	0	0	0	113.1	A355 I362	A355-S358 PolarHBondContact O-OG 3.21Å; A355-S358 VanDerWaalsContact O-OG 3.08Å; S358-I362 WeakPolarHBondContact O-CD1 3.33Å; S358-I362 VanDerWaalsContact O-CG1 3.26Å; S358-I362 WeakPolarHBondContact O-CG1 3.34Å
359	A	35.4	Very low	44.9	Very low	77 Å²	77	96.8 Å²	96.8	64%	0.636	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-31.8	175.9	0	0	0	0	0	113.6	T357	T357-A359 PolarHBondContact O-N 3.27Å
360	A	34	Very low	43.4	Very low	72 Å²	72	106 Å²	106	60%	0.595	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-20.6	-171.7	0	0	0	0	0	114.7	T357	T357-A360 PolarHBondContact O-N 2.99Å
361	Y	35.6	Very low	41.6	Very low	151 Å²	151	111.8 Å²	111.8	59%	0.592	61%	0.607	S	S	*	*	S	Bend	trans	-92	-12	176.8	-89.7	-95.6	0	0	0	114.3	T357	T357-Y361 HydrophobicContact CG2-CD2 3.54Å; T357-Y361 HydrophobicContact CG2-CE2 3.78Å; T357-Y361 PolarHBondContact O-N 3.12Å
362	I	35	Very low	39.4	Very low	132 Å²	132	121.9 Å²	121.9	68%	0.677	64%	0.643	S	S	*	*	S	Bend	trans	-76.3	-24.8	178.4	-65.3	178.8	0	0	0	111.6	S358	S358-I362 WeakPolarHBondContact O-CD1 3.33Å; S358-I362 VanDerWaalsContact O-CG1 3.26Å; S358-I362 WeakPolarHBondContact O-CG1 3.34Å
363	E	30.6	Very low	37.3	Very low	174 Å²	174	127.7 Å²	127.7	81%	0.813	67%	0.672	S	S	*	*	S	Bend	trans	-86.3	-10.2	177.3	-73.9	-172.8	161.7	0	0	114.9
364	S	31.4	Very low	35.4	Very low	87 Å²	87	132 Å²	132	61%	0.608	69%	0.694	S	S	*	*	S	Bend	trans	-104.3	4.5	175.3	54.2	0	0	0	0	114.4	Q366	S364-Q366 VanDerWaalsContact C-N 3.33Å
365	A	31.6	Very low	33.8	Very low	76 Å²	76	136.7 Å²	136.7	63%	0.628	72%	0.722	S	S	*	*			trans	-92.9	25	173.5	0	0	0	0	0	113.6	Q367	A365-Q367 PolarHBondContact O-N 3.29Å; A365-Q367 VanDerWaalsContact O-N 3.1Å
366	Q	28.2	Very low	32.6	Very low	176 Å²	176	137.9 Å²	137.9	82%	0.822	72%	0.719	S	S	*	*			trans	-72	99.5	158.1	-80.7	-174.9	-10.3	0	0	108.2	S364 P368	S364-Q366 VanDerWaalsContact C-N 3.33Å; Q366-P368 WeakPolarHBondContact O-CD 3.3Å
367	Q	30.9	Very low	31.5	Very low	180 Å²	180	136.9 Å²	136.9	84%	0.841	72%	0.719	S	S	*	*			trans	-44.1	119.4	166.9	-69.5	174.5	-21	0	0	110	A365 S369	A365-Q367 PolarHBondContact O-N 3.29Å; A365-Q367 VanDerWaalsContact O-N 3.1Å; Q367-S369 PolarHBondContact O-N 3.06Å; Q367-S369 VanDerWaalsContact O-N 3.11Å
368	P	28.4	Very low	30.9	Very low	108 Å²	108	141.2 Å²	141.2	70%	0.701	74%	0.739	S	S	*	*			trans	-71	106.2	151.7	11.6	3.2	0	0	0	105.2	Q366 R370	Q366-P368 WeakPolarHBondContact O-CD 3.3Å; P368-R370 PolarHBondContact O-N 2.95Å
369	S	33.2	Very low	30.6	Very low	114 Å²	114	140.5 Å²	140.5	80%	0.797	73%	0.734	S	S	*	*			trans	-56.4	82.1	160.5	51.9	0	0	0	0	108.4	Q367 H371	Q367-S369 PolarHBondContact O-N 3.06Å; Q367-S369 VanDerWaalsContact O-N 3.11Å; S369-H371 PolarHBondContact O-N 3.34Å
370	R	30.8	Very low	30.9	Very low	226 Å²	226	144.4 Å²	144.4	85%	0.853	74%	0.743	S	S	*	*			trans	-74.1	122.7	167.8	-83.8	-172.7	173.2	-179.9	-1	107	P368 R372	P368-R370 PolarHBondContact O-N 2.95Å; R370-R372 PolarHBondContact O-N 3.31Å
371	H	28.7	Very low	31.1	Very low	174 Å²	174	148.1 Å²	148.1	81%	0.806	75%	0.752	S	S	*	*			trans	-39	125.8	173.5	-82.1	-66	0	0	0	110.8	S369 E373	S369-H371 PolarHBondContact O-N 3.34Å; H371-E373 HydrophobicContact CB-CG 4.44Å; H371-E373 PolarHBondContact O-N 3.26Å
372	R	28.8	Very low	31.4	Very low	249 Å²	249	149.8 Å²	149.8	94%	0.94	76%	0.758	S	S	*	*			trans	-66.6	67.4	164.6	-160.2	-178.7	-166.3	176.7	3.8	107.5	R370	R370-R372 PolarHBondContact O-N 3.31Å
373	E	27.7	Very low	32.2	Very low	158 Å²	158	149.1 Å²	149.1	74%	0.738	76%	0.756	S	S	*	*			trans	-67.4	129.9	160.2	-75.9	-176.8	169.7	0	0	106.2	H371 V375	H371-E373 HydrophobicContact CB-CG 4.44Å; H371-E373 PolarHBondContact O-N 3.26Å; E373-V375 PolarHBondContact O-N 2.87Å
374	E	33.2	Very low	33.6	Very low	197 Å²	197	148.6 Å²	148.6	92%	0.921	75%	0.751	S	S	*	*			trans	-60	84.3	176.5	-68.6	176.9	149.4	0	0	109	V376	E374-V376 PolarHBondContact O-N 3.05Å; E374-V376 VanDerWaalsContact O-N 3.08Å
375	V	28.3	Very low	35.4	Very low	127 Å²	127	149 Å²	149	77%	0.77	75%	0.746	S	S	*	*			trans	-69.5	109.4	169.7	-176.9	0	0	0	0	105.8	E373 N377	E373-V375 PolarHBondContact O-N 2.87Å; V375-N377 PolarHBondContact O-N 3.26Å
376	V	26.4	Very low	37.4	Very low	118 Å²	118	145.5 Å²	145.5	72%	0.715	72%	0.716	S	S	*	*			trans	-20.9	108.2	173.5	179	0	0	0	0	111	E374 I378	E374-V376 PolarHBondContact O-N 3.05Å; E374-V376 VanDerWaalsContact O-N 3.08Å; V376-I378 VanDerWaalsContact C-N 3.29Å; V376-I378 PolarHBondContact O-N 3.35Å
377	N	23.8	Very low	40	Very low	155 Å²	155	139.2 Å²	139.2	83%	0.829	70%	0.699	S	S	*	*			trans	-50.6	99.7	163.9	-81.6	-28.6	0	0	0	107.2	V375 S379	V375-N377 PolarHBondContact O-N 3.26Å; N377-S379 PolarHBondContact O-N 3.25Å
378	I	30.3	Very low	42.6	Very low	139 Å²	139	136.6 Å²	136.6	71%	0.713	69%	0.686	S	S	*	*			trans	-67.3	95.2	161.1	-61.5	175.1	0	0	0	103.4	V376 I380	V376-I378 VanDerWaalsContact C-N 3.29Å; V376-I378 PolarHBondContact O-N 3.35Å; I378-I380 PolarHBondContact O-N 3.48Å
379	S	30.6	Very low	45.4	Very low	60 Å²	60	138.1 Å²	138.1	42%	0.42	69%	0.688	S	S	.	*			trans	-43.1	111.5	176.1	56.6	0	0	0	0	109.2	N377 D381 R382	N377-S379 PolarHBondContact O-N 3.25Å; S379-D381 PolarHBondContact O-N 2.83Å; S379-R382 PolarHBondContact O-N 3.04Å
380	I	41.8	Very low	48.1	Very low	159 Å²	159	136 Å²	136	82%	0.815	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-56.1	-10.7	169.1	-64.4	170	0	0	0	110.6	I378 R382	I378-I380 PolarHBondContact O-N 3.48Å; I380-R382 VanDerWaalsContact C-N 3.34Å; I380-R382 PolarHBondContact O-N 3Å
381	D	37.8	Very low	51	Low	150 Å²	150	125.9 Å²	125.9	80%	0.802	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-75.6	8.3	177.5	-85.9	-25.5	0	0	0	117.6	S379	S379-D381 PolarHBondContact O-N 2.83Å
382	R	41.6	Very low	54	Low	186 Å²	186	119.8 Å²	119.8	70%	0.702	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-120.1	14	179	-76	-171.6	172.6	-173.4	0.3	117	S379 I380 K384	S379-R382 PolarHBondContact O-N 3.04Å; I380-R382 VanDerWaalsContact C-N 3.34Å; I380-R382 PolarHBondContact O-N 3Å; R382-K384 PolarHBondContact O-N 2.79Å
383	N	52.2	Low	57.1	Low	119 Å²	119	111.9 Å²	111.9	64%	0.636	58%	0.579	S	S	*	*			trans	-83.8	56.7	170.7	-75.7	-9.2	0	0	0	112.1	L385	N383-L385 PolarHBondContact O-N 3.3Å
384	K	59.5	Low	60.3	Low	162 Å²	162	105 Å²	105	70%	0.704	55%	0.547	S	S	*	.			trans	-76	108.4	163.6	-73.3	-173.9	-179.1	-179.5	0	107.6	R382	R382-K384 PolarHBondContact O-N 2.79Å
385	L	68.8	Low	63.2	Low	97 Å²	97	95.8 Å²	95.8	51%	0.508	50%	0.504	S	S	.	.	P	Polyproline II helix	trans	-47.8	150.6	163.4	-74.7	157.4	0	0	0	109.2	N383 G387	N383-L385 PolarHBondContact O-N 3.3Å; L385-G387 PolarHBondContact O-N 3.03Å
386	P	75.3	Confident	66.3	Low	2 Å²	2	91.3 Å²	91.3	1%	0.013	48%	0.476	C	S	.	.	P	Polyproline II helix	trans	-54.7	141.6	177.3	23.2	-32.4	0	0	0	110.2	L164 Q390 Q391	L164-P386 WeakPolarHBondContact O-CD 3.47Å; L164-P386 WeakPolarHBondContact O-CG 3.42Å; P386-Q390 HydrophobicContact CB-CB 4.27Å; P386-Q390 HydrophobicContact CB-CG 4.19Å; P386-Q391 HydrophobicContact CG-CG 4.21Å; P386-Q391 PolarHBondContact O-NE2 2.8Å
387	G	81.6	Confident	69.6	Low	44 Å²	44	91.7 Å²	91.7	45%	0.454	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-60.5	155.9	-178	0	0	0	0	0	112.2	L385 L389 Q390 Q391	L385-G387 PolarHBondContact O-N 3.03Å; G387-L389 PolarHBondContact O-N 3Å; G387-L389 VanDerWaalsContact O-N 3.1Å; G387-Q390 WeakPolarHBondContact O-CB 3.37Å; G387-Q390 PolarHBondContact O-N 3.01Å; G387-Q391 PolarHBondContact O-N 3Å
388	E	85.7	Confident	72.9	Confident	124 Å²	124	85.3 Å²	85.3	58%	0.579	43%	0.429	S	S	*	.	H	α-helix	trans	-55.9	-32.2	-174.8	-63.2	-173.3	169.5	0	0	113.5	F392 S484	E388-F392 WeakPolarHBondContact O-CB 3.18Å; E388-F392 PolarHBondContact O-N 3.19Å; E388-S484 PolarHBondContact O-OG 3.22Å; E388-S484 VanDerWaalsContact O-OG 3.08Å
389	L	88.2	Confident	75.8	Confident	141 Å²	141	79.6 Å²	79.6	74%	0.738	40%	0.399	S	S	*	.	H	α-helix	trans	-66.6	-43.5	174.1	-72.9	171.2	0	0	0	112.4	G387 Q391 F392 T393	G387-L389 PolarHBondContact O-N 3Å; G387-L389 VanDerWaalsContact O-N 3.1Å; L389-Q391 VanDerWaalsContact C-N 3.33Å; L389-F392 PolarHBondContact O-N 3.19Å; L389-T393 PolarHBondContact O-N 2.69Å; L389-T393 PolarHBondContact O-OG1 3.14Å
390	Q	88.1	Confident	78.7	Confident	69 Å²	69	79.7 Å²	79.7	32%	0.322	39%	0.394	S	S	.	.	H	α-helix	trans	-67.7	-37.3	177.5	-175.7	174.6	18.4	0	0	111.1	P386 G387 T394	P386-Q390 HydrophobicContact CB-CB 4.27Å; P386-Q390 HydrophobicContact CB-CG 4.19Å; G387-Q390 WeakPolarHBondContact O-CB 3.37Å; G387-Q390 PolarHBondContact O-N 3.01Å; Q390-T394 WeakPolarHBondContact O-CB 3.31Å; Q390-T394 PolarHBondContact O-N 3.42Å; Q390-T394 PolarHBondContact O-OG1 3.23Å
391	Q	91.6	Very high	81.1	Confident	14 Å²	14	76.3 Å²	76.3	7%	0.065	37%	0.371	C	S	.	.	H	α-helix	trans	-59.4	-52.6	171.4	-64.5	177.6	12.4	0	0	110.1	L164 P386 G387 L389 T393 T394 L395 S481	L164-Q391 HydrophobicContact CD2-CB 4.2Å; L164-Q391 HydrophobicContact CD2-CG 4.27Å; P386-Q391 HydrophobicContact CG-CG 4.21Å; P386-Q391 PolarHBondContact O-NE2 2.8Å; G387-Q391 PolarHBondContact O-N 3Å; L389-Q391 VanDerWaalsContact C-N 3.33Å; Q391-T393 PolarHBondContact O-N 2.89Å; Q391-T394 PolarHBondContact O-N 3.45Å; Q391-L395 WeakPolarHBondContact O-CB 3.46Å; Q391-L395 VanDerWaalsContact O-CG 3.23Å; Q391-L395 WeakPolarHBondContact O-CG 3.5Å; Q391-L395 PolarHBondContact O-N 2.82Å; Q391-S481 VanDerWaalsContact OE1-N 3.13Å
392	F	93.7	Very high	83.7	Confident	45 Å²	45	69.8 Å²	69.8	20%	0.197	34%	0.336	C	S	.	.	H	α-helix	trans	-55.6	-50.7	177.6	166.3	-102.3	0	0	0	112.5	E388 L389 T394 L395 I396 F487 A488 L491	E388-F392 WeakPolarHBondContact O-CB 3.18Å; E388-F392 PolarHBondContact O-N 3.19Å; L389-F392 PolarHBondContact O-N 3.19Å; F392-T394 VanDerWaalsContact C-N 3.27Å; F392-T394 PolarHBondContact O-N 3.42Å; F392-L395 PolarHBondContact O-N 3.33Å; F392-I396 HydrophobicContact CE2-CB 4.49Å; F392-I396 HydrophobicContact CE2-CD1 4.37Å; F392-I396 HydrophobicContact CZ-CD1 4Å; F392-I396 WeakPolarHBondContact O-CG2 3.42Å; F392-I396 PolarHBondContact O-N 2.86Å; F392-F487 HydrophobicContact CD2-CB 3.84Å; F392-F487 HydrophobicContact CE2-CB 3.75Å; F392-A488 HydrophobicContact CD2-CB 4.02Å; F392-A488 HydrophobicContact CE2-CB 4.27Å; F392-L491 HydrophobicContact CE2-CD1 3.84Å; F392-L491 HydrophobicContact CZ-CD1 3.53Å
393	T	93.8	Very high	85.9	Confident	83 Å²	83	61.9 Å²	61.9	51%	0.509	31%	0.308	S	S	.	.	H	α-helix	trans	-61.6	-35.7	179.3	-55.6	0	0	0	0	112.3	L389 Q391 I396 R397	L389-T393 PolarHBondContact O-N 2.69Å; L389-T393 PolarHBondContact O-OG1 3.14Å; Q391-T393 PolarHBondContact O-N 2.89Å; T393-I396 WeakPolarHBondContact O-CG2 2.79Å; T393-R397 WeakPolarHBondContact O-CB 3.46Å; T393-R397 PolarHBondContact O-N 3Å
394	T	93.6	Very high	87.7	Confident	13 Å²	13	61.5 Å²	61.5	8%	0.08	30%	0.301	C	S	.	.	H	α-helix	trans	-72.3	-42	177.4	-55.3	0	0	0	0	111	F160 K163 L164 Q390 Q391 F392 R397 R398	F160-T394 HydrophobicContact CD1-CG2 3.87Å; K163-T394 HydrophobicContact CB-CG2 3.91Å; K163-T394 HydrophobicContact CD-CG2 4.41Å; L164-T394 HydrophobicContact CD2-CG2 4.06Å; L164-T394 HydrophobicContact CG-CG2 4.04Å; Q390-T394 WeakPolarHBondContact O-CB 3.31Å; Q390-T394 PolarHBondContact O-N 3.42Å; Q390-T394 PolarHBondContact O-OG1 3.23Å; Q391-T394 PolarHBondContact O-N 3.45Å; F392-T394 VanDerWaalsContact C-N 3.27Å; F392-T394 PolarHBondContact O-N 3.42Å; T394-R397 PolarHBondContact O-N 2.83Å; T394-R398 VanDerWaalsContact O-CB 3.3Å; T394-R398 WeakPolarHBondContact O-CB 3.28Å; T394-R398 PolarHBondContact O-N 2.97Å
395	L	93.9	Very high	89.2	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.021	28%	0.28	C	S	.	.	H	α-helix	trans	-66.6	-45.3	179.5	-71.5	172	0	0	0	112.3	L164 Q391 F392 R397 R398 H399 Y480 A488	L164-L395 HydrophobicContact CD1-CD2 4.15Å; L164-L395 HydrophobicContact CD2-CG 4.46Å; Q391-L395 WeakPolarHBondContact O-CB 3.46Å; Q391-L395 VanDerWaalsContact O-CG 3.23Å; Q391-L395 WeakPolarHBondContact O-CG 3.5Å; Q391-L395 PolarHBondContact O-N 2.82Å; F392-L395 PolarHBondContact O-N 3.33Å; L395-R397 VanDerWaalsContact C-N 3.33Å; L395-R397 PolarHBondContact O-N 2.88Å; L395-R398 WeakPolarHBondContact O-CB 3.4Å; L395-R398 PolarHBondContact O-N 3.36Å; L395-H399 WeakPolarHBondContact O-CB 3.49Å; L395-H399 PolarHBondContact O-N 2.78Å; L395-Y480 HydrophobicContact CD1-CD1 4.27Å; L395-Y480 HydrophobicContact CD1-CD2 3.96Å; L395-Y480 HydrophobicContact CD1-CE2 4.45Å; L395-Y480 HydrophobicContact CD1-CG 3.85Å; L395-Y480 HydrophobicContact CD2-CD1 3.87Å; L395-Y480 HydrophobicContact CD2-CE1 3.83Å; L395-Y480 HydrophobicContact CD2-CG 4.3Å; L395-A488 HydrophobicContact CB-CB 3.53Å
396	I	94.7	Very high	90.1	Very high	33 Å²	33	54.4 Å²	54.4	17%	0.169	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-41.2	178.1	-166.5	170.7	0	0	0	110.7	F392 T393 H399 M400 A488 L491	F392-I396 HydrophobicContact CE2-CB 4.49Å; F392-I396 HydrophobicContact CE2-CD1 4.37Å; F392-I396 HydrophobicContact CZ-CD1 4Å; F392-I396 WeakPolarHBondContact O-CG2 3.42Å; F392-I396 PolarHBondContact O-N 2.86Å; T393-I396 WeakPolarHBondContact O-CG2 2.79Å; I396-H399 PolarHBondContact O-N 3.24Å; I396-M400 HydrophobicContact CG1-CG 4.43Å; I396-M400 HydrophobicContact CG1-SD 4.25Å; I396-M400 WeakPolarHBondContact O-CB 3.01Å; I396-M400 VanDerWaalsContact O-CG 3.28Å; I396-M400 WeakPolarHBondContact O-CG 3.3Å; I396-M400 PolarHBondContact O-N 3.29Å; I396-A488 HydrophobicContact CB-CB 4.26Å; I396-L491 HydrophobicContact CD1-CB 3.77Å
397	R	94.6	Very high	90.7	Very high	127 Å²	127	59 Å²	59	48%	0.479	29%	0.289	S	S	.	.	H	α-helix	trans	-63.1	-45	175	-173.9	176.3	-179.8	168.2	2.7	111	F160 T393 T394 L395 Y401	F160-R397 HydrophobicContact CE1-CG 4.27Å; T393-R397 WeakPolarHBondContact O-CB 3.46Å; T393-R397 PolarHBondContact O-N 3Å; T394-R397 PolarHBondContact O-N 2.83Å; L395-R397 VanDerWaalsContact C-N 3.33Å; L395-R397 PolarHBondContact O-N 2.88Å; R397-Y401 HydrophobicContact CG-CD2 3.78Å; R397-Y401 HydrophobicContact CG-CE2 3.72Å; R397-Y401 PolarHBondContact NH2-OH 3.29Å; R397-Y401 WeakPolarHBondContact O-CB 3.27Å; R397-Y401 WeakPolarHBondContact O-CD2 3.06Å; R397-Y401 PolarHBondContact O-N 2.8Å
398	R	94.2	Very high	91	Very high	21 Å²	21	62 Å²	62	8%	0.079	30%	0.299	C	S	.	.	H	α-helix	trans	-58.9	-47.8	177.3	-177	-179.1	73.2	165.8	5.8	111.3	L149 L152 F160 T394 L395 Y401 N402 E474	L149-R398 HydrophobicContact CD1-CG 3.76Å; L152-R398 HydrophobicContact CD1-CG 3.87Å; F160-R398 HydrophobicContact CD1-CB 3.96Å; F160-R398 HydrophobicContact CD1-CG 4.41Å; F160-R398 HydrophobicContact CD2-CB 4.38Å; F160-R398 HydrophobicContact CD2-CG 4.04Å; F160-R398 HydrophobicContact CE1-CB 4Å; F160-R398 HydrophobicContact CE2-CB 4.42Å; F160-R398 HydrophobicContact CE2-CG 4.31Å; F160-R398 HydrophobicContact CG-CB 4.17Å; F160-R398 HydrophobicContact CG-CG 4.11Å; F160-R398 HydrophobicContact CZ-CB 4.24Å; T394-R398 VanDerWaalsContact O-CB 3.3Å; T394-R398 WeakPolarHBondContact O-CB 3.28Å; T394-R398 PolarHBondContact O-N 2.97Å; L395-R398 WeakPolarHBondContact O-CB 3.4Å; L395-R398 PolarHBondContact O-N 3.36Å; R398-Y401 PolarHBondContact O-N 2.68Å; R398-N402 WeakPolarHBondContact O-CB 3.3Å; R398-N402 PolarHBondContact O-N 3.24Å; R398-E474 IonicContact CZ-OE1 3.98Å; R398-E474 IonicContact CZ-OE2 3.37Å; R398-E474 IonicContact NH1-OE1 3.78Å; R398-E474 PolarHBondContact NH1-OE1 3.2Å; R398-E474 IonicContact NH1-OE2 3.16Å; R398-E474 PolarHBondContact NH1-OE2 3.15Å; R398-E474 IonicContact NH2-OE1 2.91Å; R398-E474 IonicContact NH2-OE2 3.34Å; R398-E474 PolarHBondContact NH2-OE2 3.45Å
399	H	91.2	Very high	91.1	Very high	19 Å²	19	57.9 Å²	57.9	9%	0.088	28%	0.284	C	S	.	.	H	α-helix	trans	-63.7	-50.3	-179.6	-177.3	74.1	0	0	0	111.4	L395 I396 Y401 N402 D403 E493	L395-H399 WeakPolarHBondContact O-CB 3.49Å; L395-H399 PolarHBondContact O-N 2.78Å; I396-H399 PolarHBondContact O-N 3.24Å; H399-Y401 VanDerWaalsContact C-N 3.33Å; H399-Y401 PolarHBondContact O-N 2.94Å; H399-N402 WeakPolarHBondContact O-CB 3.49Å; H399-N402 PolarHBondContact O-N 2.98Å; H399-N402 VanDerWaalsContact O-N 3.14Å; H399-D403 IonicContact CD2-OD2 3.82Å; H399-D403 IonicContact CE1-OD1 3.13Å; H399-D403 IonicContact CE1-OD2 3.09Å; H399-D403 PolarHBondContact CE1-OD2 3.06Å; H399-D403 IonicContact ND1-OD2 3.99Å; H399-D403 IonicContact NE2-OD2 2.56Å; H399-D403 PolarHBondContact NE2-OD2 3.49Å; H399-D403 VanDerWaalsContact NE2-OD2 3.09Å; H399-D403 PolarHBondContact O-N 2.81Å; H399-E493 WeakPolarHBondContact NE2-CG 3.31Å
400	M	91.4	Very high	91.1	Very high	61 Å²	61	53.8 Å²	53.8	30%	0.3	26%	0.262	S	S	.	.	H	α-helix	trans	-57.4	-44.5	175.9	-71.3	179.7	76.5	0	0	111.9	I396 N402 D403 F404 P495	I396-M400 HydrophobicContact CG1-CG 4.43Å; I396-M400 HydrophobicContact CG1-SD 4.25Å; I396-M400 WeakPolarHBondContact O-CB 3.01Å; I396-M400 VanDerWaalsContact O-CG 3.28Å; I396-M400 WeakPolarHBondContact O-CG 3.3Å; I396-M400 PolarHBondContact O-N 3.29Å; M400-N402 VanDerWaalsContact C-N 3.34Å; M400-N402 PolarHBondContact O-N 2.98Å; M400-D403 PolarHBondContact O-N 3.27Å; M400-F404 HydrophobicContact CB-CD2 4.14Å; M400-F404 HydrophobicContact CB-CE2 4.3Å; M400-F404 HydrophobicContact CE-CD2 4.49Å; M400-F404 HydrophobicContact CE-CE2 3.67Å; M400-F404 WeakPolarHBondContact O-CB 3.18Å; M400-F404 WeakPolarHBondContact O-CD2 3.47Å; M400-F404 PolarHBondContact O-N 3.04Å; M400-P495 HydrophobicContact CE-CG 4.37Å
401	Y	92.1	Very high	91.3	Very high	89 Å²	89	55.7 Å²	55.7	35%	0.349	27%	0.274	S	S	.	.	H	α-helix	trans	-63.9	-38.9	178.4	-93	-106.5	0	0	0	112.7	R397 R398 H399 R405	R397-Y401 HydrophobicContact CG-CD2 3.78Å; R397-Y401 HydrophobicContact CG-CE2 3.72Å; R397-Y401 PolarHBondContact NH2-OH 3.29Å; R397-Y401 WeakPolarHBondContact O-CB 3.27Å; R397-Y401 WeakPolarHBondContact O-CD2 3.06Å; R397-Y401 PolarHBondContact O-N 2.8Å; R398-Y401 PolarHBondContact O-N 2.68Å; H399-Y401 VanDerWaalsContact C-N 3.33Å; H399-Y401 PolarHBondContact O-N 2.94Å; Y401-R405 VanDerWaalsContact O-CB 3.29Å; Y401-R405 WeakPolarHBondContact O-CB 3.44Å; Y401-R405 WeakPolarHBondContact O-CD 3.39Å; Y401-R405 WeakPolarHBondContact O-CG 3.39Å; Y401-R405 PolarHBondContact O-N 3.08Å
402	N	90.9	Very high	91.2	Very high	12 Å²	12	59.1 Å²	59.1	6%	0.064	30%	0.296	C	S	.	.	H	α-helix	trans	-63.4	-48.2	176.1	-178.3	76.4	0	0	0	110.6	R398 H399 M400 R405 D406	R398-N402 WeakPolarHBondContact O-CB 3.3Å; R398-N402 PolarHBondContact O-N 3.24Å; H399-N402 WeakPolarHBondContact O-CB 3.49Å; H399-N402 PolarHBondContact O-N 2.98Å; H399-N402 VanDerWaalsContact O-N 3.14Å; M400-N402 VanDerWaalsContact C-N 3.34Å; M400-N402 PolarHBondContact O-N 2.98Å; N402-R405 PolarHBondContact O-N 2.96Å; N402-D406 PolarHBondContact O-N 2.85Å; N402-D406 VanDerWaalsContact O-N 3.11Å
403	D	88.3	Confident	91	Very high	20 Å²	20	58.4 Å²	58.4	11%	0.107	29%	0.292	C	S	.	.	H	α-helix	trans	-74.9	-42.5	-172.4	-70.7	10.6	0	0	0	112.7	H399 M400 R405 D406 K463	H399-D403 IonicContact CD2-OD2 3.82Å; H399-D403 IonicContact CE1-OD1 3.13Å; H399-D403 IonicContact CE1-OD2 3.09Å; H399-D403 PolarHBondContact CE1-OD2 3.06Å; H399-D403 IonicContact ND1-OD2 3.99Å; H399-D403 IonicContact NE2-OD2 2.56Å; H399-D403 PolarHBondContact NE2-OD2 3.49Å; H399-D403 VanDerWaalsContact NE2-OD2 3.09Å; H399-D403 PolarHBondContact O-N 2.81Å; M400-D403 PolarHBondContact O-N 3.27Å; D403-R405 PolarHBondContact O-N 3.39Å; D403-D406 PolarHBondContact O-N 3.01Å; D403-D406 VanDerWaalsContact O-N 3.08Å; D403-K463 IonicContact OD2-NZ 3.43Å; D403-K463 PolarHBondContact OD2-NZ 3.13Å
404	F	89.6	Confident	90.8	Very high	112 Å²	112	55.7 Å²	55.7	49%	0.491	28%	0.281	S	S	.	.	H	α-helix	trans	-65.2	-24.3	175.2	-81.6	-67.9	0	0	0	112.9	M400 P495	M400-F404 HydrophobicContact CB-CD2 4.14Å; M400-F404 HydrophobicContact CB-CE2 4.3Å; M400-F404 HydrophobicContact CE-CD2 4.49Å; M400-F404 HydrophobicContact CE-CE2 3.67Å; M400-F404 WeakPolarHBondContact O-CB 3.18Å; M400-F404 WeakPolarHBondContact O-CD2 3.47Å; M400-F404 PolarHBondContact O-N 3.04Å; F404-P495 HydrophobicContact CZ-CB 4.3Å
405	R	91	Very high	90.8	Very high	73 Å²	73	61.5 Å²	61.5	28%	0.275	31%	0.305	S	S	.	.	H	α-helix	trans	-87	-14.6	175.3	-72.1	178.8	177.3	179.7	3.2	113.2	H151 E156 Y401 N402 D403 L407	H151-R405 HydrophobicContact CB-CB 3.95Å; H151-R405 WeakPolarHBondContact O-CD 3.48Å; E156-R405 VanDerWaalsContact CD-NH1 3.25Å; E156-R405 IonicContact OE1-CZ 2.94Å; E156-R405 VanDerWaalsContact OE1-CZ 3.32Å; E156-R405 IonicContact OE1-NH1 2.84Å; E156-R405 PolarHBondContact OE1-NH1 3.23Å; E156-R405 VanDerWaalsContact OE1-NH1 3.08Å; E156-R405 IonicContact OE1-NH2 3.85Å; E156-R405 PolarHBondContact OE1-NH2 3.18Å; E156-R405 IonicContact OE2-CZ 3.19Å; E156-R405 IonicContact OE2-NH1 2.74Å; E156-R405 PolarHBondContact OE2-NH1 3.17Å; E156-R405 IonicContact OE2-NH2 3.05Å; Y401-R405 VanDerWaalsContact O-CB 3.29Å; Y401-R405 WeakPolarHBondContact O-CB 3.44Å; Y401-R405 WeakPolarHBondContact O-CD 3.39Å; Y401-R405 WeakPolarHBondContact O-CG 3.39Å; Y401-R405 PolarHBondContact O-N 3.08Å; N402-R405 PolarHBondContact O-N 2.96Å; D403-R405 PolarHBondContact O-N 3.39Å; R405-L407 PolarHBondContact O-N 3.32Å
406	D	89.3	Confident	90.6	Very high	36 Å²	36	64.9 Å²	64.9	19%	0.193	32%	0.32	C	S	.	.			trans	-78.3	62	165.8	-167	8.6	0	0	0	110.7	H151 N402 D403 V408 S409 L410	H151-D406 VanDerWaalsContact CE1-CG 3.46Å; H151-D406 IonicContact CE1-OD1 2.68Å; H151-D406 PolarHBondContact CE1-OD1 3.28Å; H151-D406 IonicContact NE2-OD1 3.19Å; H151-D406 IonicContact NE2-OD2 2.87Å; N402-D406 PolarHBondContact O-N 2.85Å; N402-D406 VanDerWaalsContact O-N 3.11Å; D403-D406 PolarHBondContact O-N 3.01Å; D403-D406 VanDerWaalsContact O-N 3.08Å; D406-V408 PolarHBondContact O-N 2.74Å; D406-S409 PolarHBondContact O-N 3.23Å; D406-S409 PolarHBondContact OD1-N 2.65Å; D406-S409 PolarHBondContact OD1-OG 3.25Å; D406-S409 WeakPolarHBondContact OD2-CB 3.37Å; D406-S409 PolarHBondContact OD2-OG 3.05Å; D406-L410 PolarHBondContact O-N 3.16Å
407	L	86.9	Confident	90.5	Very high	98 Å²	98	63.3 Å²	63.3	51%	0.513	31%	0.313	S	S	.	.	H	α-helix	trans	-60.8	-31.9	-175.5	-174.5	67.9	0	0	0	111.7	R405 L411	R405-L407 PolarHBondContact O-N 3.32Å; L407-L411 HydrophobicContact CD1-CD1 4.21Å; L407-L411 HydrophobicContact CD1-CG 4.08Å; L407-L411 HydrophobicContact CD2-CD1 4.24Å; L407-L411 HydrophobicContact CG-CD1 3.78Å; L407-L411 HydrophobicContact CG-CG 4.08Å; L407-L411 VanDerWaalsContact O-CB 3.27Å; L407-L411 WeakPolarHBondContact O-CB 3.32Å; L407-L411 WeakPolarHBondContact O-CG 3.27Å; L407-L411 PolarHBondContact O-N 3.42Å
408	V	88.6	Confident	90.4	Very high	107 Å²	107	60.4 Å²	60.4	65%	0.648	31%	0.306	S	S	*	.	H	α-helix	trans	-64.5	-53.1	-179.5	178.9	0	0	0	0	109.7	D406 L410 L411 V412	D406-V408 PolarHBondContact O-N 2.74Å; V408-L410 VanDerWaalsContact C-N 3.34Å; V408-L410 PolarHBondContact O-N 3.27Å; V408-L411 PolarHBondContact O-N 2.99Å; V408-V412 WeakPolarHBondContact O-CB 3.08Å; V408-V412 VanDerWaalsContact O-CG2 3.26Å; V408-V412 WeakPolarHBondContact O-CG2 3.17Å; V408-V412 PolarHBondContact O-N 3.42Å
409	S	86.8	Confident	90.4	Very high	39 Å²	39	63.8 Å²	63.8	27%	0.273	33%	0.326	S	S	.	.	H	α-helix	trans	-62.2	-42.6	178.1	-55.7	0	0	0	0	111.7	D406 L411 V412 R413	D406-S409 PolarHBondContact O-N 3.23Å; D406-S409 PolarHBondContact OD1-N 2.65Å; D406-S409 PolarHBondContact OD1-OG 3.25Å; D406-S409 WeakPolarHBondContact OD2-CB 3.37Å; D406-S409 PolarHBondContact OD2-OG 3.05Å; S409-L411 PolarHBondContact O-N 3.21Å; S409-V412 PolarHBondContact O-N 3.06Å; S409-R413 WeakPolarHBondContact O-CB 3.43Å; S409-R413 VanDerWaalsContact O-CG 3.27Å; S409-R413 WeakPolarHBondContact O-CG 3.31Å; S409-R413 PolarHBondContact O-N 3.39Å
410	L	89	Confident	90.4	Very high	54 Å²	54	65.7 Å²	65.7	28%	0.283	34%	0.335	S	S	.	.	H	α-helix	trans	-61.5	-44.2	178.6	-172.3	69.8	0	0	0	112.2	D406 V408 G414 E496	D406-L410 PolarHBondContact O-N 3.16Å; V408-L410 VanDerWaalsContact C-N 3.34Å; V408-L410 PolarHBondContact O-N 3.27Å; L410-G414 PolarHBondContact O-N 3.39Å; L410-E496 HydrophobicContact CD1-CG 3.91Å
411	L	91.3	Very high	90.4	Very high	109 Å²	109	62.8 Å²	62.8	57%	0.571	32%	0.321	S	S	*	.	H	α-helix	trans	-68	-41.4	178.4	-74.4	175.8	0	0	0	112	L407 V408 S409 G414 F415	L407-L411 HydrophobicContact CD1-CD1 4.21Å; L407-L411 HydrophobicContact CD1-CG 4.08Å; L407-L411 HydrophobicContact CD2-CD1 4.24Å; L407-L411 HydrophobicContact CG-CD1 3.78Å; L407-L411 HydrophobicContact CG-CG 4.08Å; L407-L411 VanDerWaalsContact O-CB 3.27Å; L407-L411 WeakPolarHBondContact O-CB 3.32Å; L407-L411 WeakPolarHBondContact O-CG 3.27Å; L407-L411 PolarHBondContact O-N 3.42Å; V408-L411 PolarHBondContact O-N 2.99Å; S409-L411 PolarHBondContact O-N 3.21Å; L411-G414 PolarHBondContact O-N 3.46Å; L411-F415 VanDerWaalsContact O-CB 3.22Å; L411-F415 WeakPolarHBondContact O-CB 3.39Å; L411-F415 PolarHBondContact O-N 3.38Å
412	V	90.8	Very high	90.5	Very high	87 Å²	87	62 Å²	62	53%	0.527	32%	0.323	S	S	.	.	H	α-helix	trans	-62.2	-47.8	177.8	170.2	0	0	0	0	110.3	V408 S409 G414 F415 E416	V408-V412 WeakPolarHBondContact O-CB 3.08Å; V408-V412 VanDerWaalsContact O-CG2 3.26Å; V408-V412 WeakPolarHBondContact O-CG2 3.17Å; V408-V412 PolarHBondContact O-N 3.42Å; S409-V412 PolarHBondContact O-N 3.06Å; V412-G414 PolarHBondContact O-N 2.97Å; V412-F415 PolarHBondContact O-N 3.4Å; V412-E416 VanDerWaalsContact O-CB 3.32Å; V412-E416 WeakPolarHBondContact O-CB 3.21Å; V412-E416 PolarHBondContact O-N 2.93Å
413	R	88.6	Confident	90.5	Very high	30 Å²	30	66.5 Å²	66.5	11%	0.113	35%	0.346	C	S	.	.	H	α-helix	trans	-62.3	-42.5	177.4	-70.2	171.9	-178.3	177.5	-2	112.4	S409 A417 D459 E496	S409-R413 WeakPolarHBondContact O-CB 3.43Å; S409-R413 VanDerWaalsContact O-CG 3.27Å; S409-R413 WeakPolarHBondContact O-CG 3.31Å; S409-R413 PolarHBondContact O-N 3.39Å; R413-A417 WeakPolarHBondContact O-CB 3.29Å; R413-A417 PolarHBondContact O-N 3.03Å; R413-D459 IonicContact CZ-OD1 3.08Å; R413-D459 IonicContact CZ-OD2 3.83Å; R413-D459 IonicContact NE-OD1 3.07Å; R413-D459 PolarHBondContact NE-OD1 2.85Å; R413-D459 IonicContact NE-OD2 3.68Å; R413-D459 PolarHBondContact NE-OD2 2.87Å; R413-D459 IonicContact NH1-OD2 3.45Å; R413-D459 VanDerWaalsContact NH2-CG 3.3Å; R413-D459 IonicContact NH2-OD1 3.32Å; R413-D459 PolarHBondContact NH2-OD1 3.5Å; R413-D459 IonicContact NH2-OD2 3.3Å; R413-D459 PolarHBondContact NH2-OD2 3.18Å; R413-E496 VanDerWaalsContact CD-OE1 3.29Å; R413-E496 WeakPolarHBondContact CD-OE1 3.44Å; R413-E496 IonicContact CZ-OE1 2.75Å; R413-E496 IonicContact NE-OE1 2.69Å; R413-E496 IonicContact NH1-OE1 3.99Å; R413-E496 PolarHBondContact NH1-OE1 2.83Å; R413-E496 IonicContact NH1-OE2 2.75Å; R413-E496 PolarHBondContact NH1-OE2 2.91Å
414	G	90.8	Very high	90.6	Very high	26 Å²	26	65.9 Å²	65.9	27%	0.268	34%	0.343	S	S	.	.	H	α-helix	trans	-65.1	-42.4	176.5	0	0	0	0	0	112.6	L410 L411 V412 A417 L418	L410-G414 PolarHBondContact O-N 3.39Å; L411-G414 PolarHBondContact O-N 3.46Å; V412-G414 PolarHBondContact O-N 2.97Å; G414-A417 PolarHBondContact O-N 3.32Å; G414-L418 WeakPolarHBondContact O-CB 3.39Å; G414-L418 PolarHBondContact O-N 3.4Å
415	F	92.5	Very high	90.6	Very high	134 Å²	134	60.5 Å²	60.5	59%	0.588	32%	0.319	S	S	*	.	H	α-helix	trans	-66.7	-42.1	176.5	179.5	-101.8	0	0	0	111.9	L411 V412 L418 L419	L411-F415 VanDerWaalsContact O-CB 3.22Å; L411-F415 WeakPolarHBondContact O-CB 3.39Å; L411-F415 PolarHBondContact O-N 3.38Å; V412-F415 PolarHBondContact O-N 3.4Å; F415-L418 PolarHBondContact O-N 3.37Å; F415-L419 HydrophobicContact CE1-CD2 4.28Å; F415-L419 VanDerWaalsContact O-CB 3.27Å; F415-L419 WeakPolarHBondContact O-CB 3.4Å; F415-L419 PolarHBondContact O-N 2.96Å
416	E	90.7	Very high	90.5	Very high	75 Å²	75	60.9 Å²	60.9	35%	0.35	33%	0.332	S	S	.	.	H	α-helix	trans	-60	-47.3	174.9	-175.5	-177.9	177.6	0	0	111.2	V412 L418 L419 M420	V412-E416 VanDerWaalsContact O-CB 3.32Å; V412-E416 WeakPolarHBondContact O-CB 3.21Å; V412-E416 PolarHBondContact O-N 2.93Å; E416-L418 PolarHBondContact O-N 3.22Å; E416-L419 PolarHBondContact O-N 3.48Å; E416-M420 WeakPolarHBondContact O-CB 3.47Å; E416-M420 VanDerWaalsContact O-CG 3.31Å; E416-M420 WeakPolarHBondContact O-CG 3.34Å; E416-M420 PolarHBondContact O-N 2.92Å
417	A	91.4	Very high	90.5	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.008	35%	0.353	C	S	.	.	H	α-helix	trans	-59.3	-45.4	175.8	0	0	0	0	0	112.1	R413 G414 S421 F500 V503	R413-A417 WeakPolarHBondContact O-CB 3.29Å; R413-A417 PolarHBondContact O-N 3.03Å; G414-A417 PolarHBondContact O-N 3.32Å; A417-S421 WeakPolarHBondContact O-CB 3.17Å; A417-S421 PolarHBondContact O-N 3.23Å; A417-F500 HydrophobicContact CB-CD2 3.86Å; A417-F500 HydrophobicContact CB-CE2 3.64Å; A417-F500 HydrophobicContact CB-CG 4.45Å; A417-F500 HydrophobicContact CB-CZ 4.03Å; A417-V503 HydrophobicContact CB-CG1 4.25Å
418	L	94.1	Very high	90.5	Very high	66 Å²	66	61.9 Å²	61.9	35%	0.346	34%	0.335	S	S	.	.	H	α-helix	trans	-64.3	-43.7	177.9	-178.6	64.9	0	0	0	111.5	G414 F415 E416 S421 L422 V503 P507	G414-L418 WeakPolarHBondContact O-CB 3.39Å; G414-L418 PolarHBondContact O-N 3.4Å; F415-L418 PolarHBondContact O-N 3.37Å; E416-L418 PolarHBondContact O-N 3.22Å; L418-S421 WeakPolarHBondContact O-CB 3.49Å; L418-S421 PolarHBondContact O-N 3.13Å; L418-L422 HydrophobicContact CD1-CD1 4.14Å; L418-L422 HydrophobicContact CD1-CG 4.2Å; L418-L422 HydrophobicContact CG-CD1 3.98Å; L418-L422 HydrophobicContact CG-CG 4.4Å; L418-L422 WeakPolarHBondContact O-CB 3.35Å; L418-L422 WeakPolarHBondContact O-CG 3.48Å; L418-L422 PolarHBondContact O-N 3.31Å; L418-V503 HydrophobicContact CB-CG1 3.76Å; L418-V503 HydrophobicContact CD1-CG1 4.31Å; L418-P507 HydrophobicContact CD1-CG 4.14Å
419	L	92.9	Very high	90.2	Very high	92 Å²	92	63.6 Å²	63.6	48%	0.482	33%	0.331	S	S	.	.	H	α-helix	trans	-63.8	-46.7	180	-177.9	66	0	0	0	110.9	F415 E416 S421 L422 L423	F415-L419 HydrophobicContact CE1-CD2 4.28Å; F415-L419 VanDerWaalsContact O-CB 3.27Å; F415-L419 WeakPolarHBondContact O-CB 3.4Å; F415-L419 PolarHBondContact O-N 2.96Å; E416-L419 PolarHBondContact O-N 3.48Å; L419-S421 VanDerWaalsContact C-N 3.28Å; L419-S421 PolarHBondContact O-N 3.49Å; L419-L422 PolarHBondContact O-N 2.99Å; L419-L423 VanDerWaalsContact O-CB 3.26Å; L419-L423 WeakPolarHBondContact O-CB 3.39Å; L419-L423 PolarHBondContact O-N 2.73Å
420	M	90.6	Very high	89.2	Confident	58 Å²	58	63.5 Å²	63.5	29%	0.286	34%	0.336	S	S	.	.	H	α-helix	trans	-60.5	-40.7	174.3	-71.5	-63.9	-164.6	0	0	111.5	E416 V424 L451 Y504	E416-M420 WeakPolarHBondContact O-CB 3.47Å; E416-M420 VanDerWaalsContact O-CG 3.31Å; E416-M420 WeakPolarHBondContact O-CG 3.34Å; E416-M420 PolarHBondContact O-N 2.92Å; M420-V424 WeakPolarHBondContact O-CG2 3.36Å; M420-V424 PolarHBondContact O-N 3.36Å; M420-V424 VanDerWaalsContact O-N 3.1Å; M420-L451 HydrophobicContact CB-CD2 4.43Å; M420-L451 HydrophobicContact SD-CD2 3.75Å; M420-L451 HydrophobicContact SD-CG 4.18Å; M420-Y504 HydrophobicContact CB-CE2 4.26Å
421	S	92.9	Very high	87.3	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-61.5	-51.7	177.2	-171	0	0	0	0	112.1	A417 L418 L419 L423 G425 Y504 P507 I508	A417-S421 WeakPolarHBondContact O-CB 3.17Å; A417-S421 PolarHBondContact O-N 3.23Å; L418-S421 WeakPolarHBondContact O-CB 3.49Å; L418-S421 PolarHBondContact O-N 3.13Å; L419-S421 VanDerWaalsContact C-N 3.28Å; L419-S421 PolarHBondContact O-N 3.49Å; S421-L423 PolarHBondContact O-N 3.32Å; S421-G425 PolarHBondContact O-N 2.81Å; S421-Y504 VanDerWaalsContact CB-O 3.31Å; S421-Y504 WeakPolarHBondContact CB-O 3.47Å; S421-Y504 PolarHBondContact OG-O 3.28Å; S421-P507 VanDerWaalsContact OG-CB 3.28Å; S421-P507 WeakPolarHBondContact OG-CB 3.17Å; S421-P507 WeakPolarHBondContact OG-CD 3.42Å; S421-P507 WeakPolarHBondContact OG-CG 3.42Å; S421-I508 WeakPolarHBondContact O-CG1 3.46Å; S421-I508 WeakPolarHBondContact OG-CG1 3.38Å; S421-I508 PolarHBondContact OG-N 2.86Å
422	L	93	Very high	85.5	Confident	74 Å²	74	64.1 Å²	64.1	39%	0.387	37%	0.372	S	S	.	.	H	α-helix	trans	-65.6	-40.2	179.7	-70.1	174.1	0	0	0	111.9	L418 L419 G425 C426 P507 L511	L418-L422 HydrophobicContact CD1-CD1 4.14Å; L418-L422 HydrophobicContact CD1-CG 4.2Å; L418-L422 HydrophobicContact CG-CD1 3.98Å; L418-L422 HydrophobicContact CG-CG 4.4Å; L418-L422 WeakPolarHBondContact O-CB 3.35Å; L418-L422 WeakPolarHBondContact O-CG 3.48Å; L418-L422 PolarHBondContact O-N 3.31Å; L419-L422 PolarHBondContact O-N 2.99Å; L422-G425 PolarHBondContact O-N 3.31Å; L422-C426 WeakPolarHBondContact O-CB 3.33Å; L422-C426 PolarHBondContact O-N 2.99Å; L422-C426 PolarHBondContact O-SG 2.83Å; L422-P507 HydrophobicContact CD2-CB 4.28Å; L422-L511 HydrophobicContact CD2-CD1 3.9Å
423	L	91.4	Very high	83.9	Confident	105 Å²	105	67.1 Å²	67.1	55%	0.55	38%	0.381	S	S	.	.	H	α-helix	trans	-63.4	-49.6	-179.9	-167.9	159.3	0	0	0	110.9	L419 S421 C426 L427	L419-L423 VanDerWaalsContact O-CB 3.26Å; L419-L423 WeakPolarHBondContact O-CB 3.39Å; L419-L423 PolarHBondContact O-N 2.73Å; S421-L423 PolarHBondContact O-N 3.32Å; L423-C426 PolarHBondContact O-N 3.17Å; L423-L427 WeakPolarHBondContact O-CB 3.26Å; L423-L427 PolarHBondContact O-N 2.83Å
424	V	90.6	Very high	82.5	Confident	7 Å²	7	75.2 Å²	75.2	4%	0.042	42%	0.42	C	S	.	.	H	α-helix	trans	-65	-45.5	177.1	175.3	0	0	0	0	110.6	M420 C426 L427 Y428 L444 L451 I508	M420-V424 WeakPolarHBondContact O-CG2 3.36Å; M420-V424 PolarHBondContact O-N 3.36Å; M420-V424 VanDerWaalsContact O-N 3.1Å; V424-C426 VanDerWaalsContact C-N 3.35Å; V424-C426 PolarHBondContact O-N 3.05Å; V424-L427 PolarHBondContact O-N 3.47Å; V424-Y428 HydrophobicContact CG1-CD2 4.19Å; V424-Y428 HydrophobicContact CG1-CE2 4.39Å; V424-Y428 WeakPolarHBondContact O-CD2 3.02Å; V424-Y428 PolarHBondContact O-N 3.42Å; V424-L444 HydrophobicContact CG1-CD1 3.49Å; V424-L444 VanDerWaalsContact CG1-CD1 3.49Å; V424-L451 HydrophobicContact CG2-CD2 3.65Å; V424-I508 HydrophobicContact CB-CD1 4.42Å; V424-I508 HydrophobicContact CB-CG1 4.38Å
425	G	89.6	Confident	81.2	Confident	0 Å²	0	80.8 Å²	80.8	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-59.6	-42.1	178.3	0	0	0	0	0	113.1	S421 L422 Y428 Y429	S421-G425 PolarHBondContact O-N 2.81Å; L422-G425 PolarHBondContact O-N 3.31Å; G425-Y428 CarbonylContact O-C 3.39Å; G425-Y429 PolarHBondContact O-N 2.93Å; G425-Y429 VanDerWaalsContact O-N 3.11Å
426	C	89.4	Confident	80.2	Confident	80 Å²	80	76.1 Å²	76.1	54%	0.541	41%	0.414	S	S	.	.	H	α-helix	trans	-69.4	-35.7	176.6	-73.4	0	0	0	0	112.8	L422 L423 V424 Y428 Y429	L422-C426 WeakPolarHBondContact O-CB 3.33Å; L422-C426 PolarHBondContact O-N 2.99Å; L422-C426 PolarHBondContact O-SG 2.83Å; L423-C426 PolarHBondContact O-N 3.17Å; V424-C426 VanDerWaalsContact C-N 3.35Å; V424-C426 PolarHBondContact O-N 3.05Å; C426-Y428 VanDerWaalsContact C-N 3.27Å; C426-Y428 PolarHBondContact O-N 3.31Å; C426-Y429 WeakPolarHBondContact O-CB 3.43Å; C426-Y429 PolarHBondContact O-N 3.41Å; C426-Y429 VanDerWaalsContact O-N 3.17Å
427	L	88.7	Confident	79.8	Confident	120 Å²	120	76.5 Å²	76.5	63%	0.628	42%	0.418	S	S	*	.	H	α-helix	trans	-65.8	-33.7	179	-171.1	140	0	0	0	112	L423 V424	L423-L427 WeakPolarHBondContact O-CB 3.26Å; L423-L427 PolarHBondContact O-N 2.83Å; V424-L427 PolarHBondContact O-N 3.47Å
428	Y	86.2	Confident	79.3	Confident	36 Å²	36	78.1 Å²	78.1	14%	0.141	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	19.8	174.9	-67.5	-89.3	0	0	0	112.4	V424 G425 C426 G430 L436 D440 L444	V424-Y428 HydrophobicContact CG1-CD2 4.19Å; V424-Y428 HydrophobicContact CG1-CE2 4.39Å; V424-Y428 WeakPolarHBondContact O-CD2 3.02Å; V424-Y428 PolarHBondContact O-N 3.42Å; G425-Y428 CarbonylContact O-C 3.39Å; C426-Y428 VanDerWaalsContact C-N 3.27Å; C426-Y428 PolarHBondContact O-N 3.31Å; Y428-G430 PolarHBondContact O-N 2.97Å; Y428-G430 VanDerWaalsContact O-N 3.14Å; Y428-L436 WeakPolarHBondContact O-CD2 3.28Å; Y428-D440 HydrophobicContact CD1-CB 4.18Å; Y428-D440 HydrophobicContact CE1-CB 4.09Å; Y428-D440 VanDerWaalsContact CE1-O 3.26Å; Y428-D440 WeakPolarHBondContact CE1-O 3.17Å; Y428-L444 HydrophobicContact CD1-CB 3.95Å; Y428-L444 HydrophobicContact CD2-CB 4.24Å; Y428-L444 HydrophobicContact CD2-CD1 3.57Å; Y428-L444 HydrophobicContact CD2-CG 4.41Å; Y428-L444 HydrophobicContact CE1-CB 3.95Å; Y428-L444 HydrophobicContact CE2-CB 4.22Å; Y428-L444 HydrophobicContact CE2-CD1 3.99Å; Y428-L444 HydrophobicContact CG-CB 4.09Å; Y428-L444 HydrophobicContact CG-CD1 3.91Å; Y428-L444 HydrophobicContact CG-CD2 4.44Å; Y428-L444 HydrophobicContact CG-CG 4.36Å
429	Y	82	Confident	78.9	Confident	143 Å²	143	81.9 Å²	81.9	56%	0.561	44%	0.442	S	S	*	.			trans	-73.6	107.6	176.9	-171.2	-103.5	0	0	0	109.2	G425 C426 A431 L511	G425-Y429 PolarHBondContact O-N 2.93Å; G425-Y429 VanDerWaalsContact O-N 3.11Å; C426-Y429 WeakPolarHBondContact O-CB 3.43Å; C426-Y429 PolarHBondContact O-N 3.41Å; C426-Y429 VanDerWaalsContact O-N 3.17Å; Y429-A431 VanDerWaalsContact C-N 3.35Å; Y429-A431 PolarHBondContact O-N 3.23Å; Y429-L511 HydrophobicContact CD2-CD2 4.13Å; Y429-L511 WeakPolarHBondContact CD2-O 3.31Å; Y429-L511 HydrophobicContact CE2-CD2 4.26Å
430	G	66.1	Low	78.6	Confident	37 Å²	37	80.9 Å²	80.9	38%	0.381	44%	0.437	S	S	.	.			trans	-67.5	87	-180	0	0	0	0	0	111.3	Y428 G432	Y428-G430 PolarHBondContact O-N 2.97Å; Y428-G430 VanDerWaalsContact O-N 3.14Å; G430-G432 VanDerWaalsContact C-N 3.26Å; G430-G432 PolarHBondContact O-N 3.19Å
431	A	49.4	Very low	78.5	Confident	95 Å²	95	78.4 Å²	78.4	79%	0.785	43%	0.425	S	S	*	.	S	Bend	trans	-68.4	80.2	176.7	0	0	0	0	0	111.2	Y429	Y429-A431 VanDerWaalsContact C-N 3.35Å; Y429-A431 PolarHBondContact O-N 3.23Å
432	G	53.2	Low	78.3	Confident	81 Å²	81	78.5 Å²	78.5	84%	0.835	43%	0.426	S	S	*	.	S	Bend	trans	108.6	-3.4	166.9	0	0	0	0	0	117.1	G430	G430-G432 VanDerWaalsContact C-N 3.26Å; G430-G432 PolarHBondContact O-N 3.19Å
433	E	58.2	Low	78.2	Confident	150 Å²	150	75.7 Å²	75.7	70%	0.701	41%	0.414	S	S	*	.			trans	-104.4	138.6	171.9	-66.1	-167.2	166.4	0	0	110.9	R435	E433-R435 PolarHBondContact O-N 3Å
434	E	58.2	Low	78.2	Confident	200 Å²	200	70.7 Å²	70.7	94%	0.935	39%	0.387	S	S	*	.	S	Bend	trans	-63.3	-19.5	179	-74.8	-173.2	166.1	0	0	113.1
435	R	64.9	Low	78.2	Confident	142 Å²	142	70.4 Å²	70.4	54%	0.536	39%	0.385	S	S	.	.	S	Bend	trans	-148.9	140.3	-178.3	-63.3	-174.2	-177.7	173.2	2	112.3	E433 K605	E433-R435 PolarHBondContact O-N 3Å; R435-K605 PolarHBondContact NH1-O 3.38Å
436	L	71.1	Confident	78.3	Confident	36 Å²	36	70.5 Å²	70.5	19%	0.188	39%	0.386	C	S	.	.			trans	-65.4	151.7	171.1	-75.9	161.4	0	0	0	112.1	Y428 L444 A512	Y428-L436 WeakPolarHBondContact O-CD2 3.28Å; L436-L444 HydrophobicContact CD1-CD2 4.47Å; L436-A512 HydrophobicContact CD1-CB 4.23Å; L436-A512 WeakPolarHBondContact CD1-O 3.35Å
437	N	81.6	Confident	78.3	Confident	83 Å²	83	69.8 Å²	69.8	44%	0.444	38%	0.375	S	S	.	.			trans	-58.6	150.6	170.5	-170.5	10.7	0	0	0	110.7	Q439 D440 T441	N437-Q439 VanDerWaalsContact C-N 3.31Å; N437-Q439 PolarHBondContact O-N 3.46Å; N437-D440 HydrophobicContact CB-CB 4.39Å; N437-D440 WeakPolarHBondContact CB-OD2 3.35Å; N437-D440 PolarHBondContact O-N 3.31Å; N437-T441 PolarHBondContact O-N 3.47Å; N437-T441 PolarHBondContact O-OG1 3.38Å
438	I	82.1	Confident	78.4	Confident	35 Å²	35	64.1 Å²	64.1	18%	0.179	35%	0.346	C	S	.	.	H	α-helix	trans	-60.2	-43.9	-178	-64.8	172.6	0	0	0	110.3	T441 V442 F601 Y606 V622	I438-T441 PolarHBondContact O-N 3.21Å; I438-V442 VanDerWaalsContact O-CG2 3.29Å; I438-V442 WeakPolarHBondContact O-CG2 3.29Å; I438-V442 PolarHBondContact O-N 2.84Å; I438-F601 HydrophobicContact CG1-CE1 4.5Å; I438-F601 HydrophobicContact CG2-CE1 3.96Å; I438-F601 HydrophobicContact CG2-CZ 4.06Å; I438-Y606 HydrophobicContact CD1-CD1 4.35Å; I438-Y606 HydrophobicContact CD1-CG 4.09Å; I438-Y606 HydrophobicContact CG1-CD1 3.89Å; I438-Y606 HydrophobicContact CG1-CE1 4.39Å; I438-Y606 HydrophobicContact CG1-CG 4.11Å; I438-V622 HydrophobicContact CD1-CG2 4.07Å; I438-V622 HydrophobicContact CG2-CB 4.3Å; I438-V622 HydrophobicContact CG2-CG1 3.52Å; I438-V622 HydrophobicContact CG2-CG2 3.78Å
439	Q	84	Confident	78.5	Confident	145 Å²	145	62.5 Å²	62.5	68%	0.678	34%	0.34	S	S	*	.	H	α-helix	trans	-62.6	-44.4	179.7	-69.6	-178.7	-19.2	0	0	112	N437 T441 V442 A443	N437-Q439 VanDerWaalsContact C-N 3.31Å; N437-Q439 PolarHBondContact O-N 3.46Å; Q439-T441 VanDerWaalsContact C-N 3.33Å; Q439-T441 PolarHBondContact O-N 2.79Å; Q439-V442 PolarHBondContact O-N 3.31Å; Q439-A443 WeakPolarHBondContact O-CB 3.48Å; Q439-A443 PolarHBondContact O-N 2.94Å
440	D	87.3	Confident	78.8	Confident	71 Å²	71	56 Å²	56	38%	0.38	32%	0.316	S	S	.	.	H	α-helix	trans	-66.8	-37	178.9	-59.8	-26.5	0	0	0	111.3	Y428 N437 A443 L444	Y428-D440 HydrophobicContact CD1-CB 4.18Å; Y428-D440 HydrophobicContact CE1-CB 4.09Å; Y428-D440 VanDerWaalsContact CE1-O 3.26Å; Y428-D440 WeakPolarHBondContact CE1-O 3.17Å; N437-D440 HydrophobicContact CB-CB 4.39Å; N437-D440 WeakPolarHBondContact CB-OD2 3.35Å; N437-D440 PolarHBondContact O-N 3.31Å; D440-A443 PolarHBondContact O-N 3.37Å; D440-L444 VanDerWaalsContact O-CB 3.27Å; D440-L444 WeakPolarHBondContact O-CB 3.47Å; D440-L444 PolarHBondContact O-N 3.34Å
441	T	87.7	Confident	79.8	Confident	6 Å²	6	56.4 Å²	56.4	4%	0.037	31%	0.309	C	S	.	.	H	α-helix	trans	-63.7	-43.7	174.9	-55.4	0	0	0	0	111.4	N437 I438 Q439 L444 L445 Q600 F601	N437-T441 PolarHBondContact O-N 3.47Å; N437-T441 PolarHBondContact O-OG1 3.38Å; I438-T441 PolarHBondContact O-N 3.21Å; Q439-T441 VanDerWaalsContact C-N 3.33Å; Q439-T441 PolarHBondContact O-N 2.79Å; T441-L444 PolarHBondContact O-N 2.75Å; T441-L445 HydrophobicContact CG2-CD1 4.37Å; T441-L445 VanDerWaalsContact O-CG 3.28Å; T441-L445 WeakPolarHBondContact O-CG 3.49Å; T441-L445 PolarHBondContact O-N 2.74Å; T441-Q600 HydrophobicContact CG2-CG 3.91Å; T441-F601 HydrophobicContact CG2-CE2 4.32Å; T441-F601 HydrophobicContact CG2-CZ 3.86Å
442	V	89.3	Confident	81.5	Confident	2 Å²	2	52 Å²	52	1%	0.012	27%	0.273	C	S	.	.	H	α-helix	trans	-63.4	-46.1	176.2	174.6	0	0	0	0	110.5	I438 Q439 L444 L445 Y446 F569 F593 L597 F601 V622 M626	I438-V442 VanDerWaalsContact O-CG2 3.29Å; I438-V442 WeakPolarHBondContact O-CG2 3.29Å; I438-V442 PolarHBondContact O-N 2.84Å; Q439-V442 PolarHBondContact O-N 3.31Å; V442-L444 VanDerWaalsContact C-N 3.35Å; V442-L444 PolarHBondContact O-N 3.14Å; V442-L445 PolarHBondContact O-N 3.26Å; V442-Y446 PolarHBondContact O-N 3.2Å; V442-F569 HydrophobicContact CG1-CD2 3.75Å; V442-F569 HydrophobicContact CG1-CE2 3.87Å; V442-F593 HydrophobicContact CG1-CE2 4.16Å; V442-F593 HydrophobicContact CG1-CZ 3.67Å; V442-L597 HydrophobicContact CB-CD2 4.33Å; V442-L597 HydrophobicContact CG1-CD2 4.16Å; V442-L597 HydrophobicContact CG2-CD2 3.84Å; V442-F601 HydrophobicContact CG2-CE2 3.81Å; V442-F601 HydrophobicContact CG2-CZ 3.87Å; V442-V622 HydrophobicContact CG2-CG1 4.46Å; V442-M626 HydrophobicContact CB-CE 4.39Å; V442-M626 HydrophobicContact CG1-CE 3.81Å; V442-M626 HydrophobicContact CG1-SD 3.9Å; V442-M626 HydrophobicContact CG2-CE 4.03Å; V442-M626 HydrophobicContact CG2-SD 4.29Å
443	A	90.7	Very high	83.1	Confident	16 Å²	16	48.2 Å²	48.2	13%	0.132	23%	0.233	C	C	.	.	H	α-helix	trans	-61.7	-42.5	178.8	0	0	0	0	0	111.8	Q439 D440 Y446 M447 F569	Q439-A443 WeakPolarHBondContact O-CB 3.48Å; Q439-A443 PolarHBondContact O-N 2.94Å; D440-A443 PolarHBondContact O-N 3.37Å; A443-Y446 PolarHBondContact O-N 2.79Å; A443-M447 WeakPolarHBondContact O-CB 3.34Å; A443-M447 VanDerWaalsContact O-CG 3.29Å; A443-M447 WeakPolarHBondContact O-CG 3.34Å; A443-M447 PolarHBondContact O-N 2.75Å; A443-F569 HydrophobicContact CB-CE2 4.25Å; A443-F569 HydrophobicContact CB-CZ 3.84Å
444	L	91.8	Very high	84.6	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-58	-51.9	174.3	171.9	66.3	0	0	0	111.4	V424 Y428 L436 D440 T441 V442 Y446 M447 I448 I508 A512 L514	V424-L444 HydrophobicContact CG1-CD1 3.49Å; V424-L444 VanDerWaalsContact CG1-CD1 3.49Å; Y428-L444 HydrophobicContact CD1-CB 3.95Å; Y428-L444 HydrophobicContact CD2-CB 4.24Å; Y428-L444 HydrophobicContact CD2-CD1 3.57Å; Y428-L444 HydrophobicContact CD2-CG 4.41Å; Y428-L444 HydrophobicContact CE1-CB 3.95Å; Y428-L444 HydrophobicContact CE2-CB 4.22Å; Y428-L444 HydrophobicContact CE2-CD1 3.99Å; Y428-L444 HydrophobicContact CG-CB 4.09Å; Y428-L444 HydrophobicContact CG-CD1 3.91Å; Y428-L444 HydrophobicContact CG-CD2 4.44Å; Y428-L444 HydrophobicContact CG-CG 4.36Å; L436-L444 HydrophobicContact CD1-CD2 4.47Å; D440-L444 VanDerWaalsContact O-CB 3.27Å; D440-L444 WeakPolarHBondContact O-CB 3.47Å; D440-L444 PolarHBondContact O-N 3.34Å; T441-L444 PolarHBondContact O-N 2.75Å; V442-L444 VanDerWaalsContact C-N 3.35Å; V442-L444 PolarHBondContact O-N 3.14Å; L444-Y446 PolarHBondContact O-N 3.18Å; L444-M447 PolarHBondContact O-N 2.8Å; L444-M447 VanDerWaalsContact O-N 3.11Å; L444-I448 HydrophobicContact CD1-CD1 3.88Å; L444-I448 HydrophobicContact CD1-CG1 4Å; L444-I448 HydrophobicContact CD2-CD1 4.49Å; L444-I448 HydrophobicContact CG-CD1 3.84Å; L444-I448 HydrophobicContact CG-CG1 4.35Å; L444-I448 VanDerWaalsContact O-CG1 3.26Å; L444-I448 WeakPolarHBondContact O-CG1 3.09Å; L444-I448 PolarHBondContact O-N 3.26Å; L444-I508 HydrophobicContact CD1-CG2 4.11Å; L444-A512 HydrophobicContact CD2-CB 3.3Å; L444-L514 HydrophobicContact CD2-CD1 4.14Å; L444-L514 HydrophobicContact CD2-CG 4.45Å
445	L	91	Very high	86	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-59.4	-38.3	-179.4	-68.8	171.4	0	0	0	111.8	T441 V442 G449 L514 F524 F593 M596 L597 Q600 F601	T441-L445 HydrophobicContact CG2-CD1 4.37Å; T441-L445 VanDerWaalsContact O-CG 3.28Å; T441-L445 WeakPolarHBondContact O-CG 3.49Å; T441-L445 PolarHBondContact O-N 2.74Å; V442-L445 PolarHBondContact O-N 3.26Å; L445-G449 PolarHBondContact O-N 3.49Å; L445-L514 HydrophobicContact CD2-CD2 3.85Å; L445-F524 HydrophobicContact CD2-CD2 4.3Å; L445-F524 HydrophobicContact CD2-CE2 3.65Å; L445-F593 HydrophobicContact CB-CD2 4.5Å; L445-F593 HydrophobicContact CB-CE2 4.32Å; L445-M596 HydrophobicContact CD2-CB 4.25Å; L445-M596 WeakPolarHBondContact O-CE 3.37Å; L445-L597 HydrophobicContact CD1-CD2 3.76Å; L445-L597 HydrophobicContact CD1-CG 4.45Å; L445-Q600 HydrophobicContact CD1-CB 3.87Å; L445-Q600 HydrophobicContact CD1-CG 4.11Å; L445-F601 HydrophobicContact CD1-CE2 4.35Å
446	Y	91.1	Very high	87.3	Confident	3 Å²	3	30.2 Å²	30.2	1%	0.012	16%	0.157	C	C	.	.	H	α-helix	trans	-66.6	-44.7	174.8	-173.4	-104.7	0	0	0	112.2	V442 A443 L444 I448 G449 A450 Y564 F569 V570 F593	V442-Y446 PolarHBondContact O-N 3.2Å; A443-Y446 PolarHBondContact O-N 2.79Å; L444-Y446 PolarHBondContact O-N 3.18Å; Y446-I448 PolarHBondContact O-N 2.72Å; Y446-G449 PolarHBondContact O-N 3.22Å; Y446-A450 WeakPolarHBondContact O-CB 3.26Å; Y446-A450 PolarHBondContact O-N 2.9Å; Y446-Y564 HydrophobicContact CD1-CE2 4.48Å; Y446-Y564 HydrophobicContact CE1-CD2 4.03Å; Y446-Y564 AromaticContact CE1-CE2 3.37Å; Y446-Y564 HydrophobicContact CE1-CE2 3.37Å; Y446-Y564 AromaticContact CE1-CZ 3.77Å; Y446-Y564 AromaticContact CZ-CD2 3.87Å; Y446-Y564 AromaticContact CZ-CE2 3.7Å; Y446-Y564 WeakPolarHBondContact OH-CD2 3.43Å; Y446-Y564 VanDerWaalsContact OH-CE2 3.27Å; Y446-Y564 WeakPolarHBondContact OH-CE2 3.37Å; Y446-Y564 PolarHBondContact OH-O 2.9Å; Y446-F569 HydrophobicContact CD1-CB 4Å; Y446-F569 AromaticContact CD1-CD1 3.32Å; Y446-F569 HydrophobicContact CD1-CD1 3.32Å; Y446-F569 HydrophobicContact CD1-CE1 4.02Å; Y446-F569 AromaticContact CD1-CG 3.86Å; Y446-F569 HydrophobicContact CD1-CG 3.86Å; Y446-F569 HydrophobicContact CD2-CB 3.36Å; Y446-F569 HydrophobicContact CD2-CD1 4.32Å; Y446-F569 HydrophobicContact CD2-CG 4.05Å; Y446-F569 HydrophobicContact CE1-CB 4.25Å; Y446-F569 AromaticContact CE1-CD1 3.72Å; Y446-F569 HydrophobicContact CE1-CD1 3.72Å; Y446-F569 HydrophobicContact CE1-CG 4.38Å; Y446-F569 HydrophobicContact CE2-CB 3.67Å; Y446-F569 HydrophobicContact CG-CB 3.54Å; Y446-F569 AromaticContact CG-CD1 3.65Å; Y446-F569 HydrophobicContact CG-CD1 3.65Å; Y446-F569 AromaticContact CG-CG 3.67Å; Y446-F569 HydrophobicContact CG-CG 3.67Å; Y446-V570 HydrophobicContact CE1-CG2 3.94Å; Y446-F593 HydrophobicContact CD2-CD1 4.33Å; Y446-F593 AromaticContact CD2-CD2 3.91Å; Y446-F593 HydrophobicContact CD2-CD2 3.91Å; Y446-F593 HydrophobicContact CD2-CE1 4.49Å; Y446-F593 HydrophobicContact CD2-CE2 4.12Å; Y446-F593 HydrophobicContact CD2-CG 4.01Å; Y446-F593 HydrophobicContact CD2-CZ 4.37Å; Y446-F593 HydrophobicContact CG-CD2 4.42Å; Y446-F593 HydrophobicContact CG-CE2 4.32Å
447	M	90.4	Very high	88.3	Confident	64 Å²	64	28.5 Å²	28.5	32%	0.315	15%	0.148	S	C	.	.	H	α-helix	trans	-63.4	-39.1	177.6	-74.8	-62.7	-64.6	0	0	112.5	A443 L444 G449 A450 L451	A443-M447 WeakPolarHBondContact O-CB 3.34Å; A443-M447 VanDerWaalsContact O-CG 3.29Å; A443-M447 WeakPolarHBondContact O-CG 3.34Å; A443-M447 PolarHBondContact O-N 2.75Å; L444-M447 PolarHBondContact O-N 2.8Å; L444-M447 VanDerWaalsContact O-N 3.11Å; M447-G449 VanDerWaalsContact C-N 3.3Å; M447-G449 PolarHBondContact O-N 3.49Å; M447-A450 PolarHBondContact O-N 3.04Å; M447-L451 VanDerWaalsContact O-CB 3.28Å; M447-L451 WeakPolarHBondContact O-CB 3.39Å; M447-L451 PolarHBondContact O-N 3.15Å
448	I	90.9	Very high	88.7	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-59.4	-45.7	174.8	-67.1	170.3	0	0	0	110.3	L444 Y446 A450 T452 Y504 I508 L514 F524 V528	L444-I448 HydrophobicContact CD1-CD1 3.88Å; L444-I448 HydrophobicContact CD1-CG1 4Å; L444-I448 HydrophobicContact CD2-CD1 4.49Å; L444-I448 HydrophobicContact CG-CD1 3.84Å; L444-I448 HydrophobicContact CG-CG1 4.35Å; L444-I448 VanDerWaalsContact O-CG1 3.26Å; L444-I448 WeakPolarHBondContact O-CG1 3.09Å; L444-I448 PolarHBondContact O-N 3.26Å; Y446-I448 PolarHBondContact O-N 2.72Å; I448-A450 VanDerWaalsContact C-N 3.33Å; I448-A450 PolarHBondContact O-N 2.94Å; I448-T452 PolarHBondContact O-OG1 3.37Å; I448-Y504 WeakPolarHBondContact CA-OH 2.99Å; I448-Y504 HydrophobicContact CG2-CE1 3.85Å; I448-Y504 PolarHBondContact O-OH 2.95Å; I448-Y504 VanDerWaalsContact O-OH 3.13Å; I448-I508 HydrophobicContact CD1-CG2 3.42Å; I448-I508 VanDerWaalsContact CD1-CG2 3.42Å; I448-I508 HydrophobicContact CG1-CD1 4.36Å; I448-I508 HydrophobicContact CG1-CG2 3.84Å; I448-L514 HydrophobicContact CD1-CD1 4.44Å; I448-F524 HydrophobicContact CD1-CE2 4.49Å; I448-F524 HydrophobicContact CD1-CZ 3.88Å; I448-F524 HydrophobicContact CG2-CZ 4.05Å; I448-V528 HydrophobicContact CG2-CG2 4Å
449	G	87.8	Confident	89.1	Confident	3 Å²	3	28.3 Å²	28.3	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-68.5	-28.1	178.5	0	0	0	0	0	113.9	L445 Y446 M447 P453 M589	L445-G449 PolarHBondContact O-N 3.49Å; Y446-G449 PolarHBondContact O-N 3.22Å; M447-G449 VanDerWaalsContact C-N 3.3Å; M447-G449 PolarHBondContact O-N 3.49Å; G449-P453 WeakPolarHBondContact O-CD 3.15Å; G449-P453 WeakPolarHBondContact O-CG 3.47Å; G449-M589 WeakPolarHBondContact O-CE 3.46Å
450	A	88.6	Confident	89.5	Confident	5 Å²	5	21.8 Å²	21.8	4%	0.041	12%	0.118	C	C	.	.	H	α-helix	trans	-95.8	-42.2	-172.5	0	0	0	0	0	114.5	Y446 M447 I448 T452 F454 F560 Y564 M589	Y446-A450 WeakPolarHBondContact O-CB 3.26Å; Y446-A450 PolarHBondContact O-N 2.9Å; M447-A450 PolarHBondContact O-N 3.04Å; I448-A450 VanDerWaalsContact C-N 3.33Å; I448-A450 PolarHBondContact O-N 2.94Å; A450-T452 PolarHBondContact O-N 3.43Å; A450-F454 PolarHBondContact O-N 2.81Å; A450-F560 VanDerWaalsContact O-CZ 3.25Å; A450-F560 WeakPolarHBondContact O-CZ 3.24Å; A450-Y564 HydrophobicContact CB-CD2 3.81Å; A450-Y564 HydrophobicContact CB-CE2 3.78Å; A450-M589 HydrophobicContact CB-CE 3.38Å
451	L	86.8	Confident	89.7	Confident	46 Å²	46	18.5 Å²	18.5	24%	0.241	10%	0.1	C	C	.	.	H	α-helix	trans	-68.9	-39.6	-166.3	-169.6	66.4	0	0	0	112.1	M420 V424 M447	M420-L451 HydrophobicContact CB-CD2 4.43Å; M420-L451 HydrophobicContact SD-CD2 3.75Å; M420-L451 HydrophobicContact SD-CG 4.18Å; V424-L451 HydrophobicContact CG2-CD2 3.65Å; M447-L451 VanDerWaalsContact O-CB 3.28Å; M447-L451 WeakPolarHBondContact O-CB 3.39Å; M447-L451 PolarHBondContact O-N 3.15Å
452	T	85.5	Confident	89.8	Confident	4 Å²	4	20.1 Å²	20.1	3%	0.025	11%	0.114	C	C	.	.	H	α-helix	trans	-75.9	-44.8	-178.9	36.7	0	0	0	0	114.4	I448 A450 F454 A455 V456 F500 Y504	I448-T452 PolarHBondContact O-OG1 3.37Å; A450-T452 PolarHBondContact O-N 3.43Å; T452-F454 PolarHBondContact O-N 2.94Å; T452-A455 PolarHBondContact O-N 3.03Å; T452-V456 WeakPolarHBondContact O-CB 3.48Å; T452-V456 VanDerWaalsContact O-CG2 3.29Å; T452-V456 WeakPolarHBondContact O-CG2 3.44Å; T452-V456 PolarHBondContact O-N 2.9Å; T452-F500 HydrophobicContact CG2-CE1 4.34Å; T452-Y504 HydrophobicContact CG2-CD1 3.59Å; T452-Y504 HydrophobicContact CG2-CD2 3.37Å; T452-Y504 HydrophobicContact CG2-CE1 3.43Å; T452-Y504 VanDerWaalsContact CG2-CE1 3.43Å; T452-Y504 HydrophobicContact CG2-CE2 3.24Å; T452-Y504 HydrophobicContact CG2-CG 3.53Å; T452-Y504 VanDerWaalsContact OG1-CE1 3.26Å; T452-Y504 WeakPolarHBondContact OG1-CE1 3.36Å
453	P	86.7	Confident	89.8	Confident	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-51.7	-38.2	172.1	-39.4	45.7	0	0	0	114.8	G449 V456 V457 V532 S535 F560 F588 M589	G449-P453 WeakPolarHBondContact O-CD 3.15Å; G449-P453 WeakPolarHBondContact O-CG 3.47Å; P453-V456 PolarHBondContact O-N 3.45Å; P453-V457 VanDerWaalsContact O-CG2 3.24Å; P453-V457 WeakPolarHBondContact O-CG2 3.36Å; P453-V457 PolarHBondContact O-N 3.35Å; P453-V532 HydrophobicContact CG-CG2 4.36Å; P453-S535 WeakPolarHBondContact CA-OG 3.12Å; P453-F560 HydrophobicContact CB-CD2 4.23Å; P453-F560 HydrophobicContact CB-CE2 3.55Å; P453-F560 HydrophobicContact CB-CZ 4.31Å; P453-F588 HydrophobicContact CB-CE2 4.07Å; P453-F588 HydrophobicContact CB-CZ 4.45Å; P453-F588 HydrophobicContact CG-CE2 4.23Å; P453-M589 HydrophobicContact CG-SD 4.47Å
454	F	88.4	Confident	89.7	Confident	91 Å²	91	20.9 Å²	20.9	40%	0.399	12%	0.115	S	C	.	.	H	α-helix	trans	-59.6	-52	178.1	179.1	-106.8	0	0	0	112.4	A450 T452 V456 V457 L458 F560	A450-F454 PolarHBondContact O-N 2.81Å; T452-F454 PolarHBondContact O-N 2.94Å; F454-V456 VanDerWaalsContact C-N 3.34Å; F454-V456 PolarHBondContact O-N 3.5Å; F454-V457 PolarHBondContact O-N 2.82Å; F454-L458 HydrophobicContact CZ-CD1 4.5Å; F454-F560 HydrophobicContact CB-CD1 4.2Å; F454-F560 HydrophobicContact CB-CE1 3.63Å; F454-F560 HydrophobicContact CB-CZ 3.89Å; F454-F560 AromaticContact CD2-CD1 3.68Å; F454-F560 HydrophobicContact CD2-CD1 3.68Å; F454-F560 AromaticContact CD2-CE1 3.78Å; F454-F560 HydrophobicContact CD2-CE1 3.78Å; F454-F560 HydrophobicContact CG-CD1 4.42Å; F454-F560 HydrophobicContact CG-CE1 4.13Å
455	A	89.3	Confident	89.5	Confident	20 Å²	20	21.3 Å²	21.3	17%	0.165	12%	0.117	C	C	.	.	H	α-helix	trans	-62.6	-42.4	179.1	0	0	0	0	0	111.7	T452 V457 L458 D459	T452-A455 PolarHBondContact O-N 3.03Å; A455-V457 VanDerWaalsContact C-N 3.33Å; A455-V457 PolarHBondContact O-N 2.97Å; A455-L458 PolarHBondContact O-N 3.17Å; A455-D459 PolarHBondContact O-N 3.41Å
456	V	91.8	Very high	89.1	Confident	3 Å²	3	26.5 Å²	26.5	2%	0.018	15%	0.149	C	C	.	.	H	α-helix	trans	-64.7	-34.7	-178.3	169.7	0	0	0	0	112.6	T452 P453 F454 L458 D459 V460 F500 V532 R536	T452-V456 WeakPolarHBondContact O-CB 3.48Å; T452-V456 VanDerWaalsContact O-CG2 3.29Å; T452-V456 WeakPolarHBondContact O-CG2 3.44Å; T452-V456 PolarHBondContact O-N 2.9Å; P453-V456 PolarHBondContact O-N 3.45Å; F454-V456 VanDerWaalsContact C-N 3.34Å; F454-V456 PolarHBondContact O-N 3.5Å; V456-L458 PolarHBondContact O-N 3.5Å; V456-D459 PolarHBondContact O-N 3.02Å; V456-V460 HydrophobicContact CG1-CG2 4.05Å; V456-V460 WeakPolarHBondContact O-CB 3.26Å; V456-V460 WeakPolarHBondContact O-CG2 3.49Å; V456-V460 PolarHBondContact O-N 3.42Å; V456-F500 HydrophobicContact CG2-CE1 3.66Å; V456-F500 HydrophobicContact CG2-CZ 3.71Å; V456-V532 HydrophobicContact CG2-CG1 4.07Å; V456-R536 HydrophobicContact CG1-CB 4.42Å; V456-R536 HydrophobicContact CG1-CG 3.29Å
457	V	92.1	Very high	88.9	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.2	-47.3	179	165.6	0	0	0	0	111.1	P453 F454 A455 I461 M538 A539	P453-V457 VanDerWaalsContact O-CG2 3.24Å; P453-V457 WeakPolarHBondContact O-CG2 3.36Å; P453-V457 PolarHBondContact O-N 3.35Å; F454-V457 PolarHBondContact O-N 2.82Å; A455-V457 VanDerWaalsContact C-N 3.33Å; A455-V457 PolarHBondContact O-N 2.97Å; V457-I461 HydrophobicContact CG1-CD1 3.68Å; V457-I461 WeakPolarHBondContact O-CB 3.19Å; V457-I461 WeakPolarHBondContact O-CD1 3.37Å; V457-I461 WeakPolarHBondContact O-CG1 3.27Å; V457-I461 PolarHBondContact O-N 3.3Å; V457-I461 VanDerWaalsContact O-N 3.14Å; V457-M538 HydrophobicContact CG1-CE 4.5Å; V457-M538 HydrophobicContact CG2-CE 3.67Å; V457-A539 HydrophobicContact CB-CB 4.48Å; V457-A539 HydrophobicContact CG1-CB 4.45Å; V457-A539 HydrophobicContact CG2-CB 4.39Å
458	L	90.5	Very high	88.6	Confident	67 Å²	67	25.1 Å²	25.1	35%	0.351	14%	0.142	S	C	.	.	H	α-helix	trans	-65.7	-44.7	-179.8	-74.5	172.1	0	0	0	112.3	F454 A455 V456 I461 A462 A553	F454-L458 HydrophobicContact CZ-CD1 4.5Å; A455-L458 PolarHBondContact O-N 3.17Å; V456-L458 PolarHBondContact O-N 3.5Å; L458-I461 PolarHBondContact O-N 2.84Å; L458-A462 WeakPolarHBondContact O-CB 3.11Å; L458-A462 PolarHBondContact O-N 2.79Å; L458-A553 HydrophobicContact CD2-CB 4.01Å
459	D	89.5	Confident	88.2	Confident	48 Å²	48	25.3 Å²	25.3	26%	0.257	14%	0.143	S	C	.	.	H	α-helix	trans	-63.5	-45.8	-178.1	177.2	57.1	0	0	0	112.6	R413 A455 V456 A462 K463	R413-D459 IonicContact CZ-OD1 3.08Å; R413-D459 IonicContact CZ-OD2 3.83Å; R413-D459 IonicContact NE-OD1 3.07Å; R413-D459 PolarHBondContact NE-OD1 2.85Å; R413-D459 IonicContact NE-OD2 3.68Å; R413-D459 PolarHBondContact NE-OD2 2.87Å; R413-D459 IonicContact NH1-OD2 3.45Å; R413-D459 VanDerWaalsContact NH2-CG 3.3Å; R413-D459 IonicContact NH2-OD1 3.32Å; R413-D459 PolarHBondContact NH2-OD1 3.5Å; R413-D459 IonicContact NH2-OD2 3.3Å; R413-D459 PolarHBondContact NH2-OD2 3.18Å; A455-D459 PolarHBondContact O-N 3.41Å; V456-D459 PolarHBondContact O-N 3.02Å; D459-A462 PolarHBondContact O-N 3.38Å; D459-K463 PolarHBondContact O-N 2.89Å
460	V	91.8	Very high	88.1	Confident	8 Å²	8	26.5 Å²	26.5	5%	0.048	15%	0.148	C	C	.	.	H	α-helix	trans	-67.2	-40.5	178.3	172.9	0	0	0	0	111.5	V456 A462 K463 C464 R536 A539 L540	V456-V460 HydrophobicContact CG1-CG2 4.05Å; V456-V460 WeakPolarHBondContact O-CB 3.26Å; V456-V460 WeakPolarHBondContact O-CG2 3.49Å; V456-V460 PolarHBondContact O-N 3.42Å; V460-A462 VanDerWaalsContact C-N 3.34Å; V460-K463 PolarHBondContact O-N 2.69Å; V460-C464 WeakPolarHBondContact O-CB 3.46Å; V460-C464 PolarHBondContact O-N 2.91Å; V460-R536 HydrophobicContact CG2-CG 4.06Å; V460-A539 HydrophobicContact CB-CB 3.89Å; V460-A539 HydrophobicContact CG1-CB 3.83Å; V460-L540 HydrophobicContact CG1-CD2 3.66Å; V460-L540 HydrophobicContact CG1-CG 3.78Å
461	I	92.5	Very high	88.1	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-60.7	-46.7	175.9	-72.3	169.4	0	0	0	110	V457 L458 C464 H465 A539 A543 L549	V457-I461 HydrophobicContact CG1-CD1 3.68Å; V457-I461 WeakPolarHBondContact O-CB 3.19Å; V457-I461 WeakPolarHBondContact O-CD1 3.37Å; V457-I461 WeakPolarHBondContact O-CG1 3.27Å; V457-I461 PolarHBondContact O-N 3.3Å; V457-I461 VanDerWaalsContact O-N 3.14Å; L458-I461 PolarHBondContact O-N 2.84Å; I461-C464 PolarHBondContact O-N 3Å; I461-H465 PolarHBondContact O-N 2.95Å; I461-H465 VanDerWaalsContact O-N 3.13Å; I461-H465 PolarHBondContact O-ND1 2.82Å; I461-A539 HydrophobicContact CG1-CB 4.07Å; I461-A543 HydrophobicContact CG1-CB 4.3Å; I461-L549 HydrophobicContact CG2-CD1 3.83Å
462	A	89.9	Confident	87.9	Confident	40 Å²	40	25.2 Å²	25.2	33%	0.331	14%	0.14	S	C	.	.	H	α-helix	trans	-60	-48.8	178.6	0	0	0	0	0	111.8	L458 D459 V460 C464 H465 T466 L549	L458-A462 WeakPolarHBondContact O-CB 3.11Å; L458-A462 PolarHBondContact O-N 2.79Å; D459-A462 PolarHBondContact O-N 3.38Å; V460-A462 VanDerWaalsContact C-N 3.34Å; A462-C464 VanDerWaalsContact C-N 3.32Å; A462-C464 PolarHBondContact O-N 3.38Å; A462-H465 PolarHBondContact O-N 2.84Å; A462-T466 WeakPolarHBondContact O-CG2 3.37Å; A462-T466 PolarHBondContact O-N 3.3Å; A462-T466 PolarHBondContact O-OG1 3.11Å; A462-L549 HydrophobicContact CB-CD1 4.41Å
463	K	88.2	Confident	87.8	Confident	23 Å²	23	25.9 Å²	25.9	10%	0.1	14%	0.143	C	C	.	.	H	α-helix	trans	-60.6	-39.1	177.2	-170.9	-174.3	-178.6	-165.7	0	112.4	D403 D459 V460 T466 E467 E493 E496	D403-K463 IonicContact OD2-NZ 3.43Å; D403-K463 PolarHBondContact OD2-NZ 3.13Å; D459-K463 PolarHBondContact O-N 2.89Å; V460-K463 PolarHBondContact O-N 2.69Å; K463-T466 PolarHBondContact O-OG1 2.86Å; K463-E467 VanDerWaalsContact CE-OE1 3.31Å; K463-E467 WeakPolarHBondContact CE-OE1 3.13Å; K463-E467 PolarHBondContact O-N 2.94Å; K463-E493 IonicContact NZ-OE1 3.6Å; K463-E493 PolarHBondContact NZ-OE1 2.94Å; K463-E493 VanDerWaalsContact NZ-OE1 3.16Å; K463-E496 IonicContact NZ-OE2 3.95Å
464	C	88.9	Confident	87.8	Confident	11 Å²	11	26.7 Å²	26.7	7%	0.074	15%	0.147	C	C	.	.	H	α-helix	trans	-67.5	-38.5	-179.8	-168.7	0	0	0	0	112.3	V460 I461 A462 R468 A543	V460-C464 WeakPolarHBondContact O-CB 3.46Å; V460-C464 PolarHBondContact O-N 2.91Å; I461-C464 PolarHBondContact O-N 3Å; A462-C464 VanDerWaalsContact C-N 3.32Å; A462-C464 PolarHBondContact O-N 3.38Å; C464-R468 WeakPolarHBondContact O-CB 3.49Å; C464-R468 PolarHBondContact O-N 3.47Å; C464-A543 HydrophobicContact CB-CB 3.69Å
465	H	87	Confident	87.6	Confident	10 Å²	10	23.8 Å²	23.8	5%	0.046	14%	0.135	C	C	.	.	H	α-helix	trans	-69.9	-39.1	179.2	-74.4	74	0	0	0	112.3	I461 A462 E467 R468 T548 L549 S552 D665	I461-H465 PolarHBondContact O-N 2.95Å; I461-H465 VanDerWaalsContact O-N 3.13Å; I461-H465 PolarHBondContact O-ND1 2.82Å; A462-H465 PolarHBondContact O-N 2.84Å; H465-E467 VanDerWaalsContact C-N 3.32Å; H465-E467 PolarHBondContact O-N 3.39Å; H465-R468 WeakPolarHBondContact O-CB 3.32Å; H465-R468 PolarHBondContact O-N 3.4Å; H465-T548 PolarHBondContact NE2-O 2.95Å; H465-L549 HydrophobicContact CB-CB 4.48Å; H465-L549 HydrophobicContact CB-CD1 4.27Å; H465-L549 PolarHBondContact CD2-N 2.8Å; H465-L549 PolarHBondContact NE2-N 3.38Å; H465-S552 WeakPolarHBondContact CE1-CB 3.21Å; H465-S552 PolarHBondContact CE1-OG 3.11Å; H465-S552 PolarHBondContact NE2-OG 3.01Å; H465-D665 IonicContact CD2-OD1 3.15Å
466	T	84.6	Confident	87.2	Confident	109 Å²	109	26.5 Å²	26.5	67%	0.669	14%	0.144	S	C	*	.	H	α-helix	trans	-65	-35.2	179.3	56	0	0	0	0	112.7	A462 K463	A462-T466 WeakPolarHBondContact O-CG2 3.37Å; A462-T466 PolarHBondContact O-N 3.3Å; A462-T466 PolarHBondContact O-OG1 3.11Å; K463-T466 PolarHBondContact O-OG1 2.86Å
467	E	85.2	Confident	86.7	Confident	30 Å²	30	27.2 Å²	27.2	14%	0.14	15%	0.148	C	C	.	.	H	α-helix	trans	-82.5	-18.6	179.2	-69.9	179	-153.2	0	0	114	K463 H465 A469 M470 L471 K489	K463-E467 VanDerWaalsContact CE-OE1 3.31Å; K463-E467 WeakPolarHBondContact CE-OE1 3.13Å; K463-E467 PolarHBondContact O-N 2.94Å; H465-E467 VanDerWaalsContact C-N 3.32Å; H465-E467 PolarHBondContact O-N 3.39Å; E467-A469 PolarHBondContact O-N 3.06Å; E467-M470 PolarHBondContact O-N 3.41Å; E467-L471 PolarHBondContact O-N 3.27Å; E467-K489 VanDerWaalsContact CD-NZ 3.28Å; E467-K489 IonicContact OE1-NZ 2.63Å; E467-K489 IonicContact OE2-NZ 3.72Å; E467-K489 PolarHBondContact OE2-NZ 2.77Å
468	R	85.6	Confident	86.1	Confident	8 Å²	8	28.4 Å²	28.4	3%	0.03	16%	0.16	C	C	.	.	H	α-helix	trans	-63.3	-42.3	-169.1	-172.4	-178.8	75.6	178.8	-0.2	113.6	C464 H465 M470 L471 Y472 L546 P547 D665	C464-R468 WeakPolarHBondContact O-CB 3.49Å; C464-R468 PolarHBondContact O-N 3.47Å; H465-R468 WeakPolarHBondContact O-CB 3.32Å; H465-R468 PolarHBondContact O-N 3.4Å; R468-M470 VanDerWaalsContact C-N 3.29Å; R468-M470 PolarHBondContact O-N 3.08Å; R468-L471 WeakPolarHBondContact O-CB 3.42Å; R468-L471 PolarHBondContact O-N 2.94Å; R468-L471 VanDerWaalsContact O-N 3.16Å; R468-Y472 HydrophobicContact CG-CD2 3.63Å; R468-Y472 HydrophobicContact CG-CE2 3.27Å; R468-Y472 VanDerWaalsContact O-CD2 3.3Å; R468-Y472 WeakPolarHBondContact O-CD2 3.29Å; R468-Y472 PolarHBondContact O-N 3.45Å; R468-L546 PolarHBondContact NH1-O 3.3Å; R468-P547 VanDerWaalsContact NH1-C 3.35Å; R468-P547 PolarHBondContact NH1-O 2.87Å; R468-P547 PolarHBondContact NH2-O 3.2Å; R468-D665 IonicContact CZ-OD1 3.94Å; R468-D665 IonicContact CZ-OD2 3.83Å; R468-D665 IonicContact NE-OD2 3.83Å; R468-D665 IonicContact NH2-OD1 3Å; R468-D665 PolarHBondContact NH2-OD1 3.26Å; R468-D665 IonicContact NH2-OD2 3.37Å; R468-D665 PolarHBondContact NH2-OD2 3.26Å
469	A	81.5	Confident	85.8	Confident	5 Å²	5	25.4 Å²	25.4	4%	0.041	14%	0.144	C	C	.	.	H	α-helix	trans	-57.5	-45	178.4	0	0	0	0	0	111.3	R147 E467 H473 S662	R147-A469 HydrophobicContact CG-CB 4.31Å; E467-A469 PolarHBondContact O-N 3.06Å; A469-H473 PolarHBondContact O-CD2 2.89Å; A469-H473 VanDerWaalsContact O-CD2 3.25Å; A469-H473 PolarHBondContact O-N 2.61Å; A469-S662 WeakPolarHBondContact CB-OG 3.24Å
470	M	85.9	Confident	85.7	Confident	27 Å²	27	23.7 Å²	23.7	13%	0.133	13%	0.134	C	C	.	.	H	α-helix	trans	-63.6	-45.2	175.4	173.2	80.6	-63.9	0	0	111.5	R147 E467 R468 Y472 H473 E474	R147-M470 HydrophobicContact CB-CB 4.38Å; R147-M470 HydrophobicContact CB-CE 4.18Å; R147-M470 WeakPolarHBondContact O-CE 3.48Å; E467-M470 PolarHBondContact O-N 3.41Å; R468-M470 VanDerWaalsContact C-N 3.29Å; R468-M470 PolarHBondContact O-N 3.08Å; M470-Y472 PolarHBondContact O-N 2.94Å; M470-H473 HydrophobicContact CE-CB 3.89Å; M470-H473 WeakPolarHBondContact O-CB 3.22Å; M470-H473 PolarHBondContact O-N 3.17Å; M470-E474 HydrophobicContact CE-CG 3.81Å; M470-E474 HydrophobicContact CG-CG 4.48Å; M470-E474 WeakPolarHBondContact O-CG 3.29Å; M470-E474 PolarHBondContact O-N 3.48Å; M470-E474 HydrophobicContact SD-CG 4.3Å
471	L	87.7	Confident	85.6	Confident	9 Å²	9	24.8 Å²	24.8	5%	0.047	14%	0.142	C	C	.	.	H	α-helix	trans	-54.8	-50.5	179.5	172.8	62.1	0	0	0	112	E467 R468 H473 E474 L475 Y480 Y485 L655	E467-L471 PolarHBondContact O-N 3.27Å; R468-L471 WeakPolarHBondContact O-CB 3.42Å; R468-L471 PolarHBondContact O-N 2.94Å; R468-L471 VanDerWaalsContact O-N 3.16Å; L471-H473 VanDerWaalsContact C-N 3.31Å; L471-H473 PolarHBondContact O-N 3.37Å; L471-E474 PolarHBondContact O-N 3.36Å; L471-L475 HydrophobicContact CD1-CD1 3.71Å; L471-L475 HydrophobicContact CD1-CG 3.91Å; L471-L475 HydrophobicContact CG-CD1 3.82Å; L471-L475 HydrophobicContact CG-CG 4.39Å; L471-L475 WeakPolarHBondContact O-CB 3.36Å; L471-L475 VanDerWaalsContact O-CG 3.31Å; L471-L475 WeakPolarHBondContact O-CG 3.28Å; L471-L475 PolarHBondContact O-N 3.06Å; L471-Y480 HydrophobicContact CD1-CE2 3.98Å; L471-Y480 WeakPolarHBondContact CD1-OH 3.41Å; L471-Y485 HydrophobicContact CD1-CD1 3.7Å; L471-Y485 HydrophobicContact CD1-CD2 3.6Å; L471-Y485 HydrophobicContact CD1-CE1 3.72Å; L471-Y485 HydrophobicContact CD1-CE2 3.63Å; L471-Y485 HydrophobicContact CD1-CG 3.64Å; L471-Y485 HydrophobicContact CD2-CD1 4.05Å; L471-Y485 HydrophobicContact CD2-CE1 3.45Å; L471-Y485 VanDerWaalsContact CD2-CE1 3.45Å; L471-Y485 HydrophobicContact CG-CE1 4.19Å; L471-L655 HydrophobicContact CD2-CD2 4.07Å
472	Y	83.6	Confident	85.5	Confident	16 Å²	16	26.5 Å²	26.5	6%	0.063	15%	0.153	C	C	.	.	H	α-helix	trans	-65.6	-35.7	-178.9	-73.3	-62	0	0	0	112.4	R468 M470 E474 L475 E476 I658 Q660	R468-Y472 HydrophobicContact CG-CD2 3.63Å; R468-Y472 HydrophobicContact CG-CE2 3.27Å; R468-Y472 VanDerWaalsContact O-CD2 3.3Å; R468-Y472 WeakPolarHBondContact O-CD2 3.29Å; R468-Y472 PolarHBondContact O-N 3.45Å; M470-Y472 PolarHBondContact O-N 2.94Å; Y472-E474 PolarHBondContact O-N 2.89Å; Y472-L475 PolarHBondContact O-N 3.33Å; Y472-E476 VanDerWaalsContact O-CB 3.3Å; Y472-E476 WeakPolarHBondContact O-CB 3.5Å; Y472-E476 VanDerWaalsContact O-CG 3.28Å; Y472-E476 WeakPolarHBondContact O-CG 3.47Å; Y472-E476 PolarHBondContact O-N 3.18Å; Y472-I658 PolarHBondContact OH-O 3.44Å; Y472-Q660 VanDerWaalsContact CD2-O 3.3Å; Y472-Q660 WeakPolarHBondContact CD2-O 3.41Å; Y472-Q660 HydrophobicContact CE2-CB 3.67Å; Y472-Q660 VanDerWaalsContact CE2-O 3.24Å; Y472-Q660 WeakPolarHBondContact CE2-O 3.48Å; Y472-Q660 WeakPolarHBondContact OH-CB 3.39Å; Y472-Q660 PolarHBondContact OH-N 3.22Å
473	H	84.2	Confident	85.6	Confident	18 Å²	18	26.3 Å²	26.3	8%	0.083	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-47.5	174	-72.3	-166	0	0	0	111.6	R143 A469 M470 L471 E476 D477	R143-H473 WeakPolarHBondContact CD-CE1 3.28Å; R143-H473 WeakPolarHBondContact CD-NE2 3.3Å; R143-H473 PolarHBondContact NH1-CD2 3.06Å; R143-H473 PolarHBondContact NH1-NE2 3.3Å; A469-H473 PolarHBondContact O-CD2 2.89Å; A469-H473 VanDerWaalsContact O-CD2 3.25Å; A469-H473 PolarHBondContact O-N 2.61Å; M470-H473 HydrophobicContact CE-CB 3.89Å; M470-H473 WeakPolarHBondContact O-CB 3.22Å; M470-H473 PolarHBondContact O-N 3.17Å; L471-H473 VanDerWaalsContact C-N 3.31Å; L471-H473 PolarHBondContact O-N 3.37Å; H473-E476 PolarHBondContact O-N 3.34Å; H473-D477 WeakPolarHBondContact O-CB 3.4Å; H473-D477 VanDerWaalsContact O-CG 3.26Å; H473-D477 PolarHBondContact O-N 2.91Å
474	E	86.8	Confident	85.7	Confident	17 Å²	17	25.4 Å²	25.4	8%	0.079	14%	0.144	C	C	.	.	H	α-helix	trans	-68.1	-37.4	-179.7	-65.9	-175.4	143.8	0	0	112.6	R398 M470 L471 Y472 G478 M479 Y480	R398-E474 IonicContact CZ-OE1 3.98Å; R398-E474 IonicContact CZ-OE2 3.37Å; R398-E474 IonicContact NH1-OE1 3.78Å; R398-E474 PolarHBondContact NH1-OE1 3.2Å; R398-E474 IonicContact NH1-OE2 3.16Å; R398-E474 PolarHBondContact NH1-OE2 3.15Å; R398-E474 IonicContact NH2-OE1 2.91Å; R398-E474 IonicContact NH2-OE2 3.34Å; R398-E474 PolarHBondContact NH2-OE2 3.45Å; M470-E474 HydrophobicContact CE-CG 3.81Å; M470-E474 HydrophobicContact CG-CG 4.48Å; M470-E474 WeakPolarHBondContact O-CG 3.29Å; M470-E474 PolarHBondContact O-N 3.48Å; M470-E474 HydrophobicContact SD-CG 4.3Å; L471-E474 PolarHBondContact O-N 3.36Å; Y472-E474 PolarHBondContact O-N 2.89Å; E474-G478 PolarHBondContact O-N 2.86Å; E474-G478 VanDerWaalsContact O-N 3.15Å; E474-M479 HydrophobicContact CB-CB 4.18Å; E474-M479 HydrophobicContact CB-CG 4.07Å; E474-M479 HydrophobicContact CG-CG 4.48Å; E474-M479 WeakPolarHBondContact O-CB 3.47Å; E474-M479 WeakPolarHBondContact O-CG 3.4Å; E474-M479 PolarHBondContact O-N 3.45Å; E474-Y480 HydrophobicContact CB-CE1 3.59Å; E474-Y480 HydrophobicContact CG-CE1 4.24Å; E474-Y480 WeakPolarHBondContact OE2-CE1 3.49Å; E474-Y480 VanDerWaalsContact OE2-CZ 3.23Å; E474-Y480 PolarHBondContact OE2-OH 3.34Å
475	L	84.3	Confident	85.9	Confident	29 Å²	29	25.8 Å²	25.8	15%	0.152	14%	0.144	C	C	.	.	H	α-helix	trans	-69	-40.6	177.1	-71.6	175.4	0	0	0	112.3	K136 L471 Y472 G478 Y480 V482	K136-L475 PolarHBondContact NZ-O 2.97Å; L471-L475 HydrophobicContact CD1-CD1 3.71Å; L471-L475 HydrophobicContact CD1-CG 3.91Å; L471-L475 HydrophobicContact CG-CD1 3.82Å; L471-L475 HydrophobicContact CG-CG 4.39Å; L471-L475 WeakPolarHBondContact O-CB 3.36Å; L471-L475 VanDerWaalsContact O-CG 3.31Å; L471-L475 WeakPolarHBondContact O-CG 3.28Å; L471-L475 PolarHBondContact O-N 3.06Å; Y472-L475 PolarHBondContact O-N 3.33Å; L475-G478 PolarHBondContact O-N 3.23Å; L475-G478 VanDerWaalsContact O-N 3.09Å; L475-Y480 HydrophobicContact CD2-CD2 3.91Å; L475-Y480 HydrophobicContact CD2-CE2 3.72Å; L475-Y480 HydrophobicContact CG-CE2 4.26Å; L475-V482 HydrophobicContact CD1-CG2 4.19Å; L475-V482 HydrophobicContact CD2-CG2 3.91Å
476	E	80.9	Confident	86.2	Confident	77 Å²	77	26.1 Å²	26.1	36%	0.36	15%	0.145	S	C	.	.	H	α-helix	trans	-65.2	-41.6	176.6	-78	175.8	-175.5	0	0	111.3	K136 R143 Y472 H473 G478	K136-E476 WeakPolarHBondContact CE-O 3.47Å; K136-E476 PolarHBondContact NZ-O 3.1Å; R143-E476 IonicContact CZ-OE2 2.96Å; R143-E476 IonicContact NH1-OE2 3.87Å; R143-E476 PolarHBondContact NH1-OE2 2.93Å; R143-E476 VanDerWaalsContact NH2-CB 3.3Å; R143-E476 IonicContact NH2-OE2 3.02Å; R143-E476 PolarHBondContact NH2-OE2 3.15Å; Y472-E476 VanDerWaalsContact O-CB 3.3Å; Y472-E476 WeakPolarHBondContact O-CB 3.5Å; Y472-E476 VanDerWaalsContact O-CG 3.28Å; Y472-E476 WeakPolarHBondContact O-CG 3.47Å; Y472-E476 PolarHBondContact O-N 3.18Å; H473-E476 PolarHBondContact O-N 3.34Å; E476-G478 PolarHBondContact O-N 3.4Å
477	D	79.6	Confident	86.6	Confident	19 Å²	19	26 Å²	26	10%	0.102	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-13.1	173.9	-71.7	2.4	0	0	0	112.6	R112 R143 R165 Q217 H473 M479	R112-D477 IonicContact NH2-OD1 3.72Å; R112-D477 PolarHBondContact NH2-OD1 3.28Å; R143-D477 IonicContact NH2-OD1 3.73Å; R165-D477 PolarHBondContact NH2-O 2.98Å; Q217-D477 PolarHBondContact NE2-OD2 3.1Å; H473-D477 WeakPolarHBondContact O-CB 3.4Å; H473-D477 VanDerWaalsContact O-CG 3.26Å; H473-D477 PolarHBondContact O-N 2.91Å; D477-M479 HydrophobicContact CB-CG 4.18Å
478	G	79.6	Confident	87	Confident	24 Å²	24	24.7 Å²	24.7	25%	0.247	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	30.6	177.1	0	0	0	0	0	113.5	E474 L475 E476	E474-G478 PolarHBondContact O-N 2.86Å; E474-G478 VanDerWaalsContact O-N 3.15Å; L475-G478 PolarHBondContact O-N 3.23Å; L475-G478 VanDerWaalsContact O-N 3.09Å; E476-G478 PolarHBondContact O-N 3.4Å
479	M	83.9	Confident	87.3	Confident	4 Å²	4	24.5 Å²	24.5	2%	0.02	13%	0.129	C	C	.	.			trans	-66	-37.8	-178.8	-66.1	-64.4	-64.4	0	0	113.1	V161 L164 R165 E474 D477	V161-M479 HydrophobicContact CB-CE 4.18Å; V161-M479 HydrophobicContact CG1-CE 3.6Å; V161-M479 HydrophobicContact CG2-CE 4.24Å; L164-M479 HydrophobicContact CB-CE 4.12Å; R165-M479 HydrophobicContact CB-CE 4.41Å; R165-M479 HydrophobicContact CG-CE 3.49Å; R165-M479 VanDerWaalsContact CG-CE 3.49Å; R165-M479 HydrophobicContact CG-SD 3.26Å; R165-M479 WeakPolarHBondContact CG-SD 3.31Å; R165-M479 PolarHBondContact NE-SD 3.44Å; E474-M479 HydrophobicContact CB-CB 4.18Å; E474-M479 HydrophobicContact CB-CG 4.07Å; E474-M479 HydrophobicContact CG-CG 4.48Å; E474-M479 WeakPolarHBondContact O-CB 3.47Å; E474-M479 WeakPolarHBondContact O-CG 3.4Å; E474-M479 PolarHBondContact O-N 3.45Å; D477-M479 HydrophobicContact CB-CG 4.18Å
480	Y	88.9	Confident	87.8	Confident	13 Å²	13	24.9 Å²	24.9	5%	0.051	13%	0.131	C	C	.	.	S	Bend	trans	-159.1	168.3	-178.2	50.7	-97.7	0	0	0	111.6	L164 L395 L471 E474 L475 Y485	L164-Y480 HydrophobicContact CD1-CD1 4.26Å; L395-Y480 HydrophobicContact CD1-CD1 4.27Å; L395-Y480 HydrophobicContact CD1-CD2 3.96Å; L395-Y480 HydrophobicContact CD1-CE2 4.45Å; L395-Y480 HydrophobicContact CD1-CG 3.85Å; L395-Y480 HydrophobicContact CD2-CD1 3.87Å; L395-Y480 HydrophobicContact CD2-CE1 3.83Å; L395-Y480 HydrophobicContact CD2-CG 4.3Å; L471-Y480 HydrophobicContact CD1-CE2 3.98Å; L471-Y480 WeakPolarHBondContact CD1-OH 3.41Å; E474-Y480 HydrophobicContact CB-CE1 3.59Å; E474-Y480 HydrophobicContact CG-CE1 4.24Å; E474-Y480 WeakPolarHBondContact OE2-CE1 3.49Å; E474-Y480 VanDerWaalsContact OE2-CZ 3.23Å; E474-Y480 PolarHBondContact OE2-OH 3.34Å; L475-Y480 HydrophobicContact CD2-CD2 3.91Å; L475-Y480 HydrophobicContact CD2-CE2 3.72Å; L475-Y480 HydrophobicContact CG-CE2 4.26Å; Y480-Y485 AromaticContact CE2-CD2 3.97Å; Y480-Y485 HydrophobicContact CE2-CD2 3.97Å; Y480-Y485 HydrophobicContact CE2-CG 4.08Å
481	S	88.3	Confident	88.2	Confident	30 Å²	30	27 Å²	27	21%	0.21	14%	0.143	C	C	.	.			trans	-80.7	151	176.3	71.9	0	0	0	0	112.8	Q391 T483 S484 Y485	Q391-S481 VanDerWaalsContact OE1-N 3.13Å; S481-T483 PolarHBondContact O-N 2.85Å; S481-T483 PolarHBondContact OG-OG1 2.73Å; S481-S484 PolarHBondContact O-N 3.48Å; S481-S484 WeakPolarHBondContact OG-CB 3.48Å; S481-S484 PolarHBondContact OG-N 2.82Å; S481-S484 VanDerWaalsContact OG-N 3.13Å; S481-S484 PolarHBondContact OG-OG 3.23Å; S481-Y485 PolarHBondContact O-N 2.85Å
482	V	90.4	Very high	88.3	Confident	37 Å²	37	26.9 Å²	26.9	22%	0.224	14%	0.144	C	C	.	.	H	α-helix	trans	-59.9	-34.4	175.1	-179	0	0	0	0	111.5	L475 Y485 F486 L655	L475-V482 HydrophobicContact CD1-CG2 4.19Å; L475-V482 HydrophobicContact CD2-CG2 3.91Å; V482-Y485 PolarHBondContact O-N 3.29Å; V482-F486 WeakPolarHBondContact O-CB 3.37Å; V482-F486 PolarHBondContact O-N 3.18Å; V482-L655 HydrophobicContact CG1-CB 3.85Å
483	T	91.7	Very high	88.6	Confident	36 Å²	36	27 Å²	27	22%	0.221	15%	0.145	C	C	.	.	H	α-helix	trans	-64.7	-47.5	177	42.3	0	0	0	0	112	S481 Y485 F486 F487 Y652	S481-T483 PolarHBondContact O-N 2.85Å; S481-T483 PolarHBondContact OG-OG1 2.73Å; T483-Y485 VanDerWaalsContact C-N 3.28Å; T483-Y485 PolarHBondContact O-N 3.08Å; T483-F486 PolarHBondContact O-N 3.24Å; T483-F487 VanDerWaalsContact O-CD2 3.27Å; T483-F487 WeakPolarHBondContact O-CD2 3.12Å; T483-F487 PolarHBondContact O-N 3.44Å; T483-Y652 HydrophobicContact CG2-CE2 3.63Å; T483-Y652 WeakPolarHBondContact CG2-OH 3.41Å
484	S	92.3	Very high	88.9	Confident	4 Å²	4	28.2 Å²	28.2	3%	0.028	15%	0.152	C	C	.	.	H	α-helix	trans	-60.7	-38.9	177.3	-64.5	0	0	0	0	111.8	E388 S481 A488	E388-S484 PolarHBondContact O-OG 3.22Å; E388-S484 VanDerWaalsContact O-OG 3.08Å; S481-S484 PolarHBondContact O-N 3.48Å; S481-S484 WeakPolarHBondContact OG-CB 3.48Å; S481-S484 PolarHBondContact OG-N 2.82Å; S481-S484 VanDerWaalsContact OG-N 3.13Å; S481-S484 PolarHBondContact OG-OG 3.23Å; S484-A488 WeakPolarHBondContact O-CB 3.31Å; S484-A488 PolarHBondContact O-N 3.38Å; S484-A488 VanDerWaalsContact O-N 3.13Å
485	Y	92.3	Very high	89.2	Confident	19 Å²	19	29.6 Å²	29.6	8%	0.075	16%	0.162	C	C	.	.	H	α-helix	trans	-67	-48.5	175.7	176.8	-97.1	0	0	0	112.7	L471 Y480 S481 V482 T483 F487 A488 K489 L655	L471-Y485 HydrophobicContact CD1-CD1 3.7Å; L471-Y485 HydrophobicContact CD1-CD2 3.6Å; L471-Y485 HydrophobicContact CD1-CE1 3.72Å; L471-Y485 HydrophobicContact CD1-CE2 3.63Å; L471-Y485 HydrophobicContact CD1-CG 3.64Å; L471-Y485 HydrophobicContact CD2-CD1 4.05Å; L471-Y485 HydrophobicContact CD2-CE1 3.45Å; L471-Y485 VanDerWaalsContact CD2-CE1 3.45Å; L471-Y485 HydrophobicContact CG-CE1 4.19Å; Y480-Y485 AromaticContact CE2-CD2 3.97Å; Y480-Y485 HydrophobicContact CE2-CD2 3.97Å; Y480-Y485 HydrophobicContact CE2-CG 4.08Å; S481-Y485 PolarHBondContact O-N 2.85Å; V482-Y485 PolarHBondContact O-N 3.29Å; T483-Y485 VanDerWaalsContact C-N 3.28Å; T483-Y485 PolarHBondContact O-N 3.08Å; Y485-F487 PolarHBondContact O-N 3.33Å; Y485-A488 PolarHBondContact O-N 3.4Å; Y485-A488 VanDerWaalsContact O-N 3.12Å; Y485-K489 HydrophobicContact CE1-CB 4.43Å; Y485-K489 HydrophobicContact CE1-CD 4.28Å; Y485-K489 PolarHBondContact O-N 2.84Å; Y485-K489 WeakPolarHBondContact OH-CD 3.26Å; Y485-L655 HydrophobicContact CD1-CD1 4.32Å; Y485-L655 HydrophobicContact CE1-CD1 4.43Å
486	F	93.6	Very high	89.4	Confident	17 Å²	17	29.6 Å²	29.6	8%	0.075	16%	0.161	C	C	.	.	H	α-helix	trans	-52.3	-53.5	179.4	167.7	-94.1	0	0	0	111	V482 T483 A488 K489 V490 M648 Y651 Y652 L655	V482-F486 WeakPolarHBondContact O-CB 3.37Å; V482-F486 PolarHBondContact O-N 3.18Å; T483-F486 PolarHBondContact O-N 3.24Å; F486-A488 PolarHBondContact O-N 3.08Å; F486-K489 PolarHBondContact O-N 3.32Å; F486-V490 HydrophobicContact CD2-CG2 4.28Å; F486-V490 HydrophobicContact CE1-CG2 4.47Å; F486-V490 HydrophobicContact CE2-CG2 4.1Å; F486-V490 HydrophobicContact CZ-CG2 4.19Å; F486-V490 WeakPolarHBondContact O-CB 3.34Å; F486-V490 WeakPolarHBondContact O-CG2 3.17Å; F486-V490 PolarHBondContact O-N 2.91Å; F486-M648 WeakPolarHBondContact CE2-O 3.26Å; F486-M648 HydrophobicContact CZ-CB 4.36Å; F486-M648 HydrophobicContact CZ-CE 4.27Å; F486-Y651 AromaticContact CD2-CD1 3.62Å; F486-Y651 HydrophobicContact CD2-CD1 3.62Å; F486-Y651 AromaticContact CD2-CE1 3.77Å; F486-Y651 HydrophobicContact CD2-CE1 3.77Å; F486-Y651 AromaticContact CE2-CD1 3.55Å; F486-Y651 HydrophobicContact CE2-CD1 3.55Å; F486-Y651 HydrophobicContact CE2-CE1 4.13Å; F486-Y652 HydrophobicContact CB-CD2 4.1Å; F486-Y652 HydrophobicContact CD1-CD2 4.26Å; F486-Y652 HydrophobicContact CD2-CD2 4.1Å; F486-Y652 AromaticContact CG-CD2 3.9Å; F486-Y652 HydrophobicContact CG-CD2 3.9Å; F486-L655 HydrophobicContact CD2-CD1 4.49Å
487	F	93.3	Very high	89.9	Confident	108 Å²	108	26 Å²	26	47%	0.474	14%	0.144	S	C	.	.	H	α-helix	trans	-65.8	-37.9	179.4	-73	-67.2	0	0	0	112.6	F392 T483 Y485 L491	F392-F487 HydrophobicContact CD2-CB 3.84Å; F392-F487 HydrophobicContact CE2-CB 3.75Å; T483-F487 VanDerWaalsContact O-CD2 3.27Å; T483-F487 WeakPolarHBondContact O-CD2 3.12Å; T483-F487 PolarHBondContact O-N 3.44Å; Y485-F487 PolarHBondContact O-N 3.33Å; F487-L491 VanDerWaalsContact O-CB 3.31Å; F487-L491 WeakPolarHBondContact O-CB 3.19Å; F487-L491 WeakPolarHBondContact O-CG 3.46Å; F487-L491 PolarHBondContact O-N 2.77Å
488	A	93.6	Very high	90.6	Very high	2 Å²	2	27.4 Å²	27.4	2%	0.017	16%	0.155	C	C	.	.	H	α-helix	trans	-64.1	-41.7	179.5	0	0	0	0	0	112.2	F392 L395 I396 S484 Y485 F486 G492	F392-A488 HydrophobicContact CD2-CB 4.02Å; F392-A488 HydrophobicContact CE2-CB 4.27Å; L395-A488 HydrophobicContact CB-CB 3.53Å; I396-A488 HydrophobicContact CB-CB 4.26Å; S484-A488 WeakPolarHBondContact O-CB 3.31Å; S484-A488 PolarHBondContact O-N 3.38Å; S484-A488 VanDerWaalsContact O-N 3.13Å; Y485-A488 PolarHBondContact O-N 3.4Å; Y485-A488 VanDerWaalsContact O-N 3.12Å; F486-A488 PolarHBondContact O-N 3.08Å; A488-G492 WeakPolarHBondContact O-CA 3.47Å; A488-G492 PolarHBondContact O-N 3.09Å
489	K	91.6	Very high	91.1	Very high	3 Å²	3	30.3 Å²	30.3	1%	0.013	17%	0.168	C	C	.	.	H	α-helix	trans	-64.9	-53.4	175.5	-177.6	118.2	-170.7	177.5	0	110.6	E467 Y485 F486 L491 G492 E493	E467-K489 VanDerWaalsContact CD-NZ 3.28Å; E467-K489 IonicContact OE1-NZ 2.63Å; E467-K489 IonicContact OE2-NZ 3.72Å; E467-K489 PolarHBondContact OE2-NZ 2.77Å; Y485-K489 HydrophobicContact CE1-CB 4.43Å; Y485-K489 HydrophobicContact CE1-CD 4.28Å; Y485-K489 PolarHBondContact O-N 2.84Å; Y485-K489 WeakPolarHBondContact OH-CD 3.26Å; F486-K489 PolarHBondContact O-N 3.32Å; K489-L491 PolarHBondContact O-N 3.21Å; K489-G492 PolarHBondContact O-N 2.97Å; K489-E493 WeakPolarHBondContact CE-OE1 3.41Å; K489-E493 IonicContact NZ-OE1 3.58Å; K489-E493 WeakPolarHBondContact O-CG 3.4Å; K489-E493 PolarHBondContact O-N 2.79Å; K489-E493 VanDerWaalsContact O-N 3.13Å
490	V	92.1	Very high	91.5	Very high	14 Å²	14	31 Å²	31	9%	0.085	17%	0.171	C	C	.	.	H	α-helix	trans	-58.3	-46.4	-176.4	166.2	0	0	0	0	112.3	F486 L494 Y533 M648	F486-V490 HydrophobicContact CD2-CG2 4.28Å; F486-V490 HydrophobicContact CE1-CG2 4.47Å; F486-V490 HydrophobicContact CE2-CG2 4.1Å; F486-V490 HydrophobicContact CZ-CG2 4.19Å; F486-V490 WeakPolarHBondContact O-CB 3.34Å; F486-V490 WeakPolarHBondContact O-CG2 3.17Å; F486-V490 PolarHBondContact O-N 2.91Å; V490-L494 WeakPolarHBondContact O-CG 3.41Å; V490-Y533 WeakPolarHBondContact CG1-OH 3.42Å; V490-M648 HydrophobicContact CB-CE 3.81Å; V490-M648 HydrophobicContact CG1-CE 3.23Å; V490-M648 HydrophobicContact CG2-CE 3.2Å; V490-M648 HydrophobicContact CG2-SD 4.45Å
491	L	92.7	Very high	91.7	Very high	72 Å²	72	30.5 Å²	30.5	38%	0.377	17%	0.169	S	C	.	.	H	α-helix	trans	-78.9	-29.6	-179.8	-66.9	173.8	0	0	0	112.5	F392 I396 F487 K489 E493 L494	F392-L491 HydrophobicContact CE2-CD1 3.84Å; F392-L491 HydrophobicContact CZ-CD1 3.53Å; I396-L491 HydrophobicContact CD1-CB 3.77Å; F487-L491 VanDerWaalsContact O-CB 3.31Å; F487-L491 WeakPolarHBondContact O-CB 3.19Å; F487-L491 WeakPolarHBondContact O-CG 3.46Å; F487-L491 PolarHBondContact O-N 2.77Å; K489-L491 PolarHBondContact O-N 3.21Å; L491-E493 VanDerWaalsContact C-N 3.33Å; L491-L494 HydrophobicContact CD2-CD1 3.64Å; L491-L494 PolarHBondContact O-N 3.02Å
492	G	90.4	Very high	91.9	Very high	6 Å²	6	33 Å²	33	6%	0.062	18%	0.18	C	C	.	.	H	α-helix	trans	-68.3	-30	179.7	0	0	0	0	0	113.8	A488 K489 P495	A488-G492 WeakPolarHBondContact O-CA 3.47Å; A488-G492 PolarHBondContact O-N 3.09Å; K489-G492 PolarHBondContact O-N 2.97Å; G492-P495 WeakPolarHBondContact O-CD 3.27Å
493	E	89.6	Confident	92	Very high	18 Å²	18	33.4 Å²	33.4	8%	0.084	18%	0.182	C	C	.	.	S	Bend	trans	-85.3	-13.4	177.2	-65.9	-176.7	159.7	0	0	113.6	H399 K463 K489 L491 E496 H497	H399-E493 WeakPolarHBondContact NE2-CG 3.31Å; K463-E493 IonicContact NZ-OE1 3.6Å; K463-E493 PolarHBondContact NZ-OE1 2.94Å; K463-E493 VanDerWaalsContact NZ-OE1 3.16Å; K489-E493 WeakPolarHBondContact CE-OE1 3.41Å; K489-E493 IonicContact NZ-OE1 3.58Å; K489-E493 WeakPolarHBondContact O-CG 3.4Å; K489-E493 PolarHBondContact O-N 2.79Å; K489-E493 VanDerWaalsContact O-N 3.13Å; L491-E493 VanDerWaalsContact C-N 3.33Å; E493-E496 PolarHBondContact O-N 3.28Å; E493-H497 WeakPolarHBondContact O-CB 3.45Å; E493-H497 PolarHBondContact O-N 3.44Å
494	L	91.4	Very high	92.1	Very high	44 Å²	44	31.7 Å²	31.7	23%	0.23	17%	0.172	C	C	.	.	H	α-helix	trans	-59.4	-43.6	-179.5	-71.3	178.2	0	0	0	114.1	V490 L491 E496 H497 C498 W529 Y533	V490-L494 WeakPolarHBondContact O-CG 3.41Å; L491-L494 HydrophobicContact CD2-CD1 3.64Å; L491-L494 PolarHBondContact O-N 3.02Å; L494-E496 PolarHBondContact O-N 2.96Å; L494-H497 WeakPolarHBondContact O-CB 3.45Å; L494-H497 PolarHBondContact O-N 2.93Å; L494-C498 PolarHBondContact O-N 3.3Å; L494-C498 PolarHBondContact O-SG 3.31Å; L494-W529 HydrophobicContact CD2-CH2 4.28Å; L494-W529 HydrophobicContact CD2-CZ2 4.01Å; L494-Y533 HydrophobicContact CD2-CD2 4.31Å; L494-Y533 HydrophobicContact CD2-CE2 3.65Å
495	P	91.9	Very high	92	Very high	46 Å²	46	31.6 Å²	31.6	30%	0.299	17%	0.171	S	C	.	.	H	α-helix	trans	-61.3	-44.2	178.8	-23.8	35.3	0	0	0	112.4	M400 F404 G492 H497 C498 V499	M400-P495 HydrophobicContact CE-CG 4.37Å; F404-P495 HydrophobicContact CZ-CB 4.3Å; G492-P495 WeakPolarHBondContact O-CD 3.27Å; P495-H497 VanDerWaalsContact C-N 3.33Å; P495-C498 PolarHBondContact O-N 2.87Å; P495-V499 WeakPolarHBondContact O-CG2 3.43Å; P495-V499 PolarHBondContact O-N 2.77Å; P495-V499 VanDerWaalsContact O-N 3.12Å
496	E	89.6	Confident	92	Very high	29 Å²	29	34.5 Å²	34.5	14%	0.136	19%	0.187	C	C	.	.	H	α-helix	trans	-60.1	-46.6	175.5	-172.1	-166.2	153.6	0	0	110.3	L410 R413 K463 E493 L494 C498 V499 F500	L410-E496 HydrophobicContact CD1-CG 3.91Å; R413-E496 VanDerWaalsContact CD-OE1 3.29Å; R413-E496 WeakPolarHBondContact CD-OE1 3.44Å; R413-E496 IonicContact CZ-OE1 2.75Å; R413-E496 IonicContact NE-OE1 2.69Å; R413-E496 IonicContact NH1-OE1 3.99Å; R413-E496 PolarHBondContact NH1-OE1 2.83Å; R413-E496 IonicContact NH1-OE2 2.75Å; R413-E496 PolarHBondContact NH1-OE2 2.91Å; K463-E496 IonicContact NZ-OE2 3.95Å; E493-E496 PolarHBondContact O-N 3.28Å; L494-E496 PolarHBondContact O-N 2.96Å; E496-C498 PolarHBondContact O-N 3.44Å; E496-V499 PolarHBondContact O-N 3.07Å; E496-F500 WeakPolarHBondContact O-CB 3.43Å; E496-F500 PolarHBondContact O-N 3.05Å
497	H	91.9	Very high	91.9	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-59.7	-45.9	177.6	176.1	33.3	0	0	0	112.7	E493 L494 P495 V499 F500 T501 W529 Y533 R536	E493-H497 WeakPolarHBondContact O-CB 3.45Å; E493-H497 PolarHBondContact O-N 3.44Å; L494-H497 WeakPolarHBondContact O-CB 3.45Å; L494-H497 PolarHBondContact O-N 2.93Å; P495-H497 VanDerWaalsContact C-N 3.33Å; H497-V499 VanDerWaalsContact C-N 3.35Å; H497-V499 PolarHBondContact O-N 3.37Å; H497-F500 PolarHBondContact O-N 3.44Å; H497-T501 PolarHBondContact CE1-OG1 3.01Å; H497-T501 PolarHBondContact ND1-OG1 3.14Å; H497-T501 PolarHBondContact O-N 3.2Å; H497-T501 PolarHBondContact O-OG1 3.3Å; H497-W529 AromaticContact CD2-CE2 3.59Å; H497-W529 AromaticContact CD2-CZ2 3.73Å; H497-W529 AromaticContact CD2-NE1 3.57Å; H497-W529 AromaticContact NE2-CD1 3.9Å; H497-W529 AromaticContact NE2-CD2 3.83Å; H497-W529 AromaticContact NE2-CE2 3.57Å; H497-W529 AromaticContact NE2-NE1 3.62Å; H497-W529 PolarHBondContact NE2-O 3.31Å; H497-Y533 AromaticContact CD2-CD2 3.51Å; H497-Y533 WeakPolarHBondContact NE2-CB 3.48Å; H497-Y533 AromaticContact NE2-CD2 3.72Å; H497-R536 PolarHBondContact CE1-NH1 3.44Å; H497-R536 VanDerWaalsContact CE1-NH1 3.31Å; H497-R536 PolarHBondContact ND1-NH1 3.49Å
498	C	92.8	Very high	91.8	Very high	48 Å²	48	29.9 Å²	29.9	32%	0.324	17%	0.17	S	C	.	.	H	α-helix	trans	-60.2	-44.9	179	-72.2	0	0	0	0	111.6	L494 P495 E496 T501 L502 W529	L494-C498 PolarHBondContact O-N 3.3Å; L494-C498 PolarHBondContact O-SG 3.31Å; P495-C498 PolarHBondContact O-N 2.87Å; E496-C498 PolarHBondContact O-N 3.44Å; C498-T501 PolarHBondContact O-N 2.84Å; C498-L502 WeakPolarHBondContact O-CB 3.49Å; C498-L502 VanDerWaalsContact O-CG 3.28Å; C498-L502 WeakPolarHBondContact O-CG 3.31Å; C498-L502 PolarHBondContact O-N 2.96Å; C498-W529 PolarHBondContact SG-NE1 3.08Å; C498-W529 VanDerWaalsContact SG-NE1 3.39Å
499	V	91.9	Very high	91.6	Very high	86 Å²	86	29.8 Å²	29.8	52%	0.521	17%	0.169	S	C	.	.	H	α-helix	trans	-64.7	-45.6	177.2	175.2	0	0	0	0	110.7	P495 E496 H497 T501 L502 V503	P495-V499 WeakPolarHBondContact O-CG2 3.43Å; P495-V499 PolarHBondContact O-N 2.77Å; P495-V499 VanDerWaalsContact O-N 3.12Å; E496-V499 PolarHBondContact O-N 3.07Å; H497-V499 VanDerWaalsContact C-N 3.35Å; H497-V499 PolarHBondContact O-N 3.37Å; V499-T501 VanDerWaalsContact C-N 3.35Å; V499-T501 PolarHBondContact O-N 2.96Å; V499-L502 PolarHBondContact O-N 3.13Å; V499-V503 HydrophobicContact CG1-CG2 4.24Å; V499-V503 VanDerWaalsContact O-CG2 3.32Å; V499-V503 WeakPolarHBondContact O-CG2 3.17Å; V499-V503 PolarHBondContact O-N 3Å
500	F	91.6	Very high	91.5	Very high	19 Å²	19	36.6 Å²	36.6	8%	0.083	20%	0.195	C	C	.	.	H	α-helix	trans	-56.4	-48	177	-179.5	-86.4	0	0	0	111.8	A417 T452 V456 E496 H497 L502 V503 Y504 V532	A417-F500 HydrophobicContact CB-CD2 3.86Å; A417-F500 HydrophobicContact CB-CE2 3.64Å; A417-F500 HydrophobicContact CB-CG 4.45Å; A417-F500 HydrophobicContact CB-CZ 4.03Å; T452-F500 HydrophobicContact CG2-CE1 4.34Å; V456-F500 HydrophobicContact CG2-CE1 3.66Å; V456-F500 HydrophobicContact CG2-CZ 3.71Å; E496-F500 WeakPolarHBondContact O-CB 3.43Å; E496-F500 PolarHBondContact O-N 3.05Å; H497-F500 PolarHBondContact O-N 3.44Å; F500-L502 PolarHBondContact O-N 2.83Å; F500-V503 PolarHBondContact O-N 2.79Å; F500-Y504 WeakPolarHBondContact O-CB 3.47Å; F500-Y504 PolarHBondContact O-N 2.66Å; F500-V532 HydrophobicContact CD1-CG1 4.5Å; F500-V532 HydrophobicContact CE1-CG1 4.34Å
501	T	92.1	Very high	91.4	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	20%	0.203	C	C	.	.	H	α-helix	trans	-66.5	-37.5	179.2	-52.7	0	0	0	0	111.8	H497 C498 V499 Y504 G505 F525 V528 W529	H497-T501 PolarHBondContact CE1-OG1 3.01Å; H497-T501 PolarHBondContact ND1-OG1 3.14Å; H497-T501 PolarHBondContact O-N 3.2Å; H497-T501 PolarHBondContact O-OG1 3.3Å; C498-T501 PolarHBondContact O-N 2.84Å; V499-T501 VanDerWaalsContact C-N 3.35Å; V499-T501 PolarHBondContact O-N 2.96Å; T501-Y504 PolarHBondContact O-N 3.11Å; T501-G505 PolarHBondContact O-N 3.37Å; T501-F525 HydrophobicContact CG2-CE2 3.81Å; T501-F525 HydrophobicContact CG2-CZ 3.78Å; T501-V528 HydrophobicContact CG2-CG1 4.07Å; T501-W529 HydrophobicContact CG2-CB 4.03Å; T501-W529 HydrophobicContact CG2-CG 4.49Å
502	L	92.5	Very high	91	Very high	83 Å²	83	35.1 Å²	35.1	44%	0.435	19%	0.188	S	C	.	.	H	α-helix	trans	-63.7	-48.8	175.9	-77.6	169.1	0	0	0	112	C498 V499 F500 Y504 L506 F525	C498-L502 WeakPolarHBondContact O-CB 3.49Å; C498-L502 VanDerWaalsContact O-CG 3.28Å; C498-L502 WeakPolarHBondContact O-CG 3.31Å; C498-L502 PolarHBondContact O-N 2.96Å; V499-L502 PolarHBondContact O-N 3.13Å; F500-L502 PolarHBondContact O-N 2.83Å; L502-Y504 PolarHBondContact O-N 3.4Å; L502-L506 WeakPolarHBondContact O-CB 3.46Å; L502-L506 PolarHBondContact O-N 2.81Å; L502-L506 VanDerWaalsContact O-N 3.12Å; L502-F525 HydrophobicContact CB-CZ 4.36Å; L502-F525 HydrophobicContact CD2-CE1 3.98Å; L502-F525 HydrophobicContact CD2-CE2 3.65Å; L502-F525 HydrophobicContact CD2-CZ 3.34Å; L502-F525 HydrophobicContact CG-CE1 4.44Å; L502-F525 HydrophobicContact CG-CE2 4.13Å; L502-F525 HydrophobicContact CG-CZ 3.6Å
503	V	93.4	Very high	90.7	Very high	46 Å²	46	37.2 Å²	37.2	28%	0.279	21%	0.209	S	C	.	.	H	α-helix	trans	-62	-35.8	178.6	172.9	0	0	0	0	111.1	A417 L418 V499 F500 P507	A417-V503 HydrophobicContact CB-CG1 4.25Å; L418-V503 HydrophobicContact CB-CG1 3.76Å; L418-V503 HydrophobicContact CD1-CG1 4.31Å; V499-V503 HydrophobicContact CG1-CG2 4.24Å; V499-V503 VanDerWaalsContact O-CG2 3.32Å; V499-V503 WeakPolarHBondContact O-CG2 3.17Å; V499-V503 PolarHBondContact O-N 3Å; F500-V503 PolarHBondContact O-N 2.79Å; V503-P507 WeakPolarHBondContact O-CD 3.05Å; V503-P507 WeakPolarHBondContact O-CG 3.33Å
504	Y	92.9	Very high	90.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-75.5	-53	176.4	178.5	-112.4	0	0	0	113.6	M420 S421 I448 T452 F500 T501 L502 I508 V528	M420-Y504 HydrophobicContact CB-CE2 4.26Å; S421-Y504 VanDerWaalsContact CB-O 3.31Å; S421-Y504 WeakPolarHBondContact CB-O 3.47Å; S421-Y504 PolarHBondContact OG-O 3.28Å; I448-Y504 WeakPolarHBondContact CA-OH 2.99Å; I448-Y504 HydrophobicContact CG2-CE1 3.85Å; I448-Y504 PolarHBondContact O-OH 2.95Å; I448-Y504 VanDerWaalsContact O-OH 3.13Å; T452-Y504 HydrophobicContact CG2-CD1 3.59Å; T452-Y504 HydrophobicContact CG2-CD2 3.37Å; T452-Y504 HydrophobicContact CG2-CE1 3.43Å; T452-Y504 VanDerWaalsContact CG2-CE1 3.43Å; T452-Y504 HydrophobicContact CG2-CE2 3.24Å; T452-Y504 HydrophobicContact CG2-CG 3.53Å; T452-Y504 VanDerWaalsContact OG1-CE1 3.26Å; T452-Y504 WeakPolarHBondContact OG1-CE1 3.36Å; F500-Y504 WeakPolarHBondContact O-CB 3.47Å; F500-Y504 PolarHBondContact O-N 2.66Å; T501-Y504 PolarHBondContact O-N 3.11Å; L502-Y504 PolarHBondContact O-N 3.4Å; Y504-I508 HydrophobicContact CD2-CD1 3.93Å; Y504-I508 HydrophobicContact CE1-CD1 4.07Å; Y504-I508 HydrophobicContact CE2-CD1 3.38Å; Y504-I508 HydrophobicContact CG-CD1 4.46Å; Y504-I508 VanDerWaalsContact CZ-CD1 3.48Å; Y504-I508 WeakPolarHBondContact O-CD1 3.34Å; Y504-V528 HydrophobicContact CD1-CG1 4.24Å; Y504-V528 HydrophobicContact CE1-CG1 4.4Å
505	G	90.5	Very high	90.2	Very high	2 Å²	2	35.7 Å²	35.7	2%	0.021	20%	0.202	C	C	.	.	H	α-helix	trans	-75.8	-32.1	-169	0	0	0	0	0	114	T501 Y509	T501-G505 PolarHBondContact O-N 3.37Å; G505-Y509 WeakPolarHBondContact O-CB 3.4Å; G505-Y509 PolarHBondContact O-N 3.15Å
506	L	92.3	Very high	89.7	Confident	79 Å²	79	40.8 Å²	40.8	41%	0.414	22%	0.222	S	C	.	.	H	α-helix	trans	-69.6	-50.2	-171.5	-166	151.4	0	0	0	112.7	L502 Y509 W510	L502-L506 WeakPolarHBondContact O-CB 3.46Å; L502-L506 PolarHBondContact O-N 2.81Å; L502-L506 VanDerWaalsContact O-N 3.12Å; L506-Y509 PolarHBondContact O-N 2.9Å; L506-W510 PolarHBondContact O-N 3.12Å
507	P	92.3	Very high	89.6	Confident	27 Å²	27	40.8 Å²	40.8	18%	0.175	23%	0.227	C	C	.	.	H	α-helix	trans	-63.1	-46.2	-179.9	-18.9	30.4	0	0	0	113.2	L418 S421 L422 V503 Y509 W510 L511	L418-P507 HydrophobicContact CD1-CG 4.14Å; S421-P507 VanDerWaalsContact OG-CB 3.28Å; S421-P507 WeakPolarHBondContact OG-CB 3.17Å; S421-P507 WeakPolarHBondContact OG-CD 3.42Å; S421-P507 WeakPolarHBondContact OG-CG 3.42Å; L422-P507 HydrophobicContact CD2-CB 4.28Å; V503-P507 WeakPolarHBondContact O-CD 3.05Å; V503-P507 WeakPolarHBondContact O-CG 3.33Å; P507-Y509 VanDerWaalsContact C-N 3.29Å; P507-Y509 PolarHBondContact O-N 2.97Å; P507-W510 PolarHBondContact O-N 2.9Å; P507-L511 HydrophobicContact CB-CD1 4.42Å; P507-L511 VanDerWaalsContact O-CB 3.31Å; P507-L511 WeakPolarHBondContact O-CB 3.43Å; P507-L511 VanDerWaalsContact O-CG 3.29Å; P507-L511 WeakPolarHBondContact O-CG 3.31Å; P507-L511 PolarHBondContact O-N 2.68Å
508	I	91.1	Very high	89.3	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-56.6	-43.3	177.7	-67.8	157.5	0	0	0	111.4	S421 V424 L444 I448 Y504 W510 L511 A512	S421-I508 WeakPolarHBondContact O-CG1 3.46Å; S421-I508 WeakPolarHBondContact OG-CG1 3.38Å; S421-I508 PolarHBondContact OG-N 2.86Å; V424-I508 HydrophobicContact CB-CD1 4.42Å; V424-I508 HydrophobicContact CB-CG1 4.38Å; L444-I508 HydrophobicContact CD1-CG2 4.11Å; I448-I508 HydrophobicContact CD1-CG2 3.42Å; I448-I508 VanDerWaalsContact CD1-CG2 3.42Å; I448-I508 HydrophobicContact CG1-CD1 4.36Å; I448-I508 HydrophobicContact CG1-CG2 3.84Å; Y504-I508 HydrophobicContact CD2-CD1 3.93Å; Y504-I508 HydrophobicContact CE1-CD1 4.07Å; Y504-I508 HydrophobicContact CE2-CD1 3.38Å; Y504-I508 HydrophobicContact CG-CD1 4.46Å; Y504-I508 VanDerWaalsContact CZ-CD1 3.48Å; Y504-I508 WeakPolarHBondContact O-CD1 3.34Å; I508-W510 VanDerWaalsContact C-N 3.32Å; I508-W510 PolarHBondContact O-N 2.81Å; I508-L511 PolarHBondContact O-N 2.92Å; I508-A512 VanDerWaalsContact O-CB 3.28Å; I508-A512 WeakPolarHBondContact O-CB 3.34Å; I508-A512 PolarHBondContact O-N 3.14Å
509	Y	89.8	Confident	89.1	Confident	1 Å²	1	47.5 Å²	47.5	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-58.3	-45.8	-175.7	-164.9	-96.8	0	0	0	112.4	G505 L506 P507 L514 N515 F521 F524	G505-Y509 WeakPolarHBondContact O-CB 3.4Å; G505-Y509 PolarHBondContact O-N 3.15Å; L506-Y509 PolarHBondContact O-N 2.9Å; P507-Y509 VanDerWaalsContact C-N 3.29Å; P507-Y509 PolarHBondContact O-N 2.97Å; Y509-L514 HydrophobicContact CD1-CB 4.48Å; Y509-L514 HydrophobicContact CD2-CB 3.82Å; Y509-L514 HydrophobicContact CD2-CD1 3.85Å; Y509-L514 HydrophobicContact CD2-CG 4.45Å; Y509-L514 HydrophobicContact CE1-CB 4.36Å; Y509-L514 HydrophobicContact CE2-CB 3.69Å; Y509-L514 HydrophobicContact CE2-CD1 4.38Å; Y509-L514 HydrophobicContact CG-CB 4.25Å; Y509-L514 HydrophobicContact CG-CD1 4.42Å; Y509-L514 PolarHBondContact O-N 3.28Å; Y509-N515 WeakPolarHBondContact CE1-O 3.34Å; Y509-N515 PolarHBondContact OH-O 2.87Å; Y509-F521 AromaticContact CD1-CD2 3.55Å; Y509-F521 HydrophobicContact CD1-CD2 3.55Å; Y509-F521 HydrophobicContact CD1-CE2 4.11Å; Y509-F521 HydrophobicContact CD2-CD2 4.29Å; Y509-F521 HydrophobicContact CE1-CB 4Å; Y509-F521 AromaticContact CE1-CD2 3.56Å; Y509-F521 HydrophobicContact CE1-CD2 3.56Å; Y509-F521 HydrophobicContact CE1-CG 4.24Å; Y509-F521 HydrophobicContact CE2-CD2 4.3Å; Y509-F521 AromaticContact CG-CD2 3.89Å; Y509-F521 HydrophobicContact CG-CD2 3.89Å; Y509-F521 HydrophobicContact CG-CE2 4.22Å; Y509-F521 AromaticContact CZ-CD2 3.91Å; Y509-F521 VanDerWaalsContact OH-CA 3.28Å; Y509-F521 WeakPolarHBondContact OH-CA 3Å; Y509-F521 PolarHBondContact OH-N 3.3Å; Y509-F524 AromaticContact CD2-CD1 3.44Å; Y509-F524 HydrophobicContact CD2-CD1 3.44Å; Y509-F524 VanDerWaalsContact CD2-CD1 3.44Å; Y509-F524 AromaticContact CD2-CE1 3.61Å; Y509-F524 HydrophobicContact CD2-CE1 3.61Å; Y509-F524 HydrophobicContact CD2-CG 4.07Å; Y509-F524 HydrophobicContact CD2-CZ 4.34Å; Y509-F524 HydrophobicContact CE2-CB 4.04Å; Y509-F524 AromaticContact CE2-CD1 3.62Å; Y509-F524 HydrophobicContact CE2-CD1 3.62Å; Y509-F524 HydrophobicContact CE2-CD2 4.5Å; Y509-F524 HydrophobicContact CE2-CE1 4.19Å; Y509-F524 AromaticContact CE2-CG 3.79Å; Y509-F524 HydrophobicContact CE2-CG 3.79Å
510	W	89.3	Confident	89	Confident	145 Å²	145	45.2 Å²	45.2	55%	0.549	25%	0.247	S	C	.	.	H	α-helix	trans	-79.5	-39.8	-178.3	-65.1	109.9	0	0	0	112.5	L506 P507 I508 A512 G513	L506-W510 PolarHBondContact O-N 3.12Å; P507-W510 PolarHBondContact O-N 2.9Å; I508-W510 VanDerWaalsContact C-N 3.32Å; I508-W510 PolarHBondContact O-N 2.81Å; W510-A512 VanDerWaalsContact C-N 3.34Å; W510-A512 PolarHBondContact O-N 2.8Å; W510-G513 PolarHBondContact O-N 2.65Å
511	L	88.4	Confident	88.9	Confident	49 Å²	49	46.4 Å²	46.4	26%	0.257	25%	0.252	S	S	.	.	H	α-helix	trans	-64.3	-39	179	-75.5	171.5	0	0	0	112.4	L422 Y429 P507 I508 G513	L422-L511 HydrophobicContact CD2-CD1 3.9Å; Y429-L511 HydrophobicContact CD2-CD2 4.13Å; Y429-L511 WeakPolarHBondContact CD2-O 3.31Å; Y429-L511 HydrophobicContact CE2-CD2 4.26Å; P507-L511 HydrophobicContact CB-CD1 4.42Å; P507-L511 VanDerWaalsContact O-CB 3.31Å; P507-L511 WeakPolarHBondContact O-CB 3.43Å; P507-L511 VanDerWaalsContact O-CG 3.29Å; P507-L511 WeakPolarHBondContact O-CG 3.31Å; P507-L511 PolarHBondContact O-N 2.68Å; I508-L511 PolarHBondContact O-N 2.92Å; L511-G513 VanDerWaalsContact C-N 3.27Å; L511-G513 PolarHBondContact O-N 3.41Å
512	A	85.6	Confident	88.9	Confident	7 Å²	7	51.8 Å²	51.8	6%	0.058	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-4	178.1	0	0	0	0	0	113.7	L436 L444 I508 W510 L514	L436-A512 HydrophobicContact CD1-CB 4.23Å; L436-A512 WeakPolarHBondContact CD1-O 3.35Å; L444-A512 HydrophobicContact CD2-CB 3.3Å; I508-A512 VanDerWaalsContact O-CB 3.28Å; I508-A512 WeakPolarHBondContact O-CB 3.34Å; I508-A512 PolarHBondContact O-N 3.14Å; W510-A512 VanDerWaalsContact C-N 3.34Å; W510-A512 PolarHBondContact O-N 2.8Å; A512-L514 VanDerWaalsContact C-N 3.28Å; A512-L514 HydrophobicContact CB-CD1 4.05Å; A512-L514 HydrophobicContact CB-CG 4.28Å; A512-L514 PolarHBondContact O-N 2.98Å
513	G	84.1	Confident	88.9	Confident	50 Å²	50	50.7 Å²	50.7	52%	0.515	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.1	38.3	-178.6	0	0	0	0	0	113.3	W510 L511	W510-G513 PolarHBondContact O-N 2.65Å; L511-G513 VanDerWaalsContact C-N 3.27Å; L511-G513 PolarHBondContact O-N 3.41Å
514	L	85	Confident	88.9	Confident	6 Å²	6	48.7 Å²	48.7	3%	0.031	26%	0.262	C	S	.	.			trans	-63.2	174.8	173.6	-75.4	145.4	0	0	0	110.3	L444 L445 I448 Y509 A512 Q516 Q600	L444-L514 HydrophobicContact CD2-CD1 4.14Å; L444-L514 HydrophobicContact CD2-CG 4.45Å; L445-L514 HydrophobicContact CD2-CD2 3.85Å; I448-L514 HydrophobicContact CD1-CD1 4.44Å; Y509-L514 HydrophobicContact CD1-CB 4.48Å; Y509-L514 HydrophobicContact CD2-CB 3.82Å; Y509-L514 HydrophobicContact CD2-CD1 3.85Å; Y509-L514 HydrophobicContact CD2-CG 4.45Å; Y509-L514 HydrophobicContact CE1-CB 4.36Å; Y509-L514 HydrophobicContact CE2-CB 3.69Å; Y509-L514 HydrophobicContact CE2-CD1 4.38Å; Y509-L514 HydrophobicContact CG-CB 4.25Å; Y509-L514 HydrophobicContact CG-CD1 4.42Å; Y509-L514 PolarHBondContact O-N 3.28Å; A512-L514 VanDerWaalsContact C-N 3.28Å; A512-L514 HydrophobicContact CB-CD1 4.05Å; A512-L514 HydrophobicContact CB-CG 4.28Å; A512-L514 PolarHBondContact O-N 2.98Å; L514-Q516 PolarHBondContact O-N 3.48Å; L514-Q600 VanDerWaalsContact CD2-CD 3.45Å; L514-Q600 HydrophobicContact CD2-CG 4.06Å
515	N	84.9	Confident	88.9	Confident	24 Å²	24	50.4 Å²	50.4	13%	0.128	27%	0.269	C	S	.	.			trans	-57.4	117.2	-169	-167.5	-27.2	0	0	0	113.6	Y509 A517 R520 Q600 N604	Y509-N515 WeakPolarHBondContact CE1-O 3.34Å; Y509-N515 PolarHBondContact OH-O 2.87Å; N515-A517 PolarHBondContact O-N 2.98Å; N515-A517 WeakPolarHBondContact OD1-CB 3.43Å; N515-A517 PolarHBondContact OD1-N 3.49Å; N515-A517 VanDerWaalsContact OD1-N 3.1Å; N515-R520 HydrophobicContact CB-CB 4.46Å; N515-R520 WeakPolarHBondContact ND2-CD 3.37Å; N515-R520 PolarHBondContact ND2-NE 3.14Å; N515-R520 PolarHBondContact ND2-NH1 2.73Å; N515-R520 PolarHBondContact ND2-NH2 2.84Å; N515-Q600 VanDerWaalsContact N-OE1 3.14Å; N515-N604 PolarHBondContact ND2-ND2 2.88Å; N515-N604 PolarHBondContact ND2-OD1 3.44Å
516	Q	82.1	Confident	89.1	Confident	153 Å²	153	54 Å²	54	72%	0.715	29%	0.288	S	S	*	.			trans	-71.9	-4.3	-173.6	-61.2	179.2	-0.3	0	0	115	L514	L514-Q516 PolarHBondContact O-N 3.48Å
517	A	86.3	Confident	89.1	Confident	28 Å²	28	50.3 Å²	50.3	23%	0.231	27%	0.268	C	S	.	.			trans	-67.5	131.9	179.9	0	0	0	0	0	111.9	N515 D519 R520 F521	N515-A517 PolarHBondContact O-N 2.98Å; N515-A517 WeakPolarHBondContact OD1-CB 3.43Å; N515-A517 PolarHBondContact OD1-N 3.49Å; N515-A517 VanDerWaalsContact OD1-N 3.1Å; A517-D519 VanDerWaalsContact CB-OD1 3.25Å; A517-D519 WeakPolarHBondContact CB-OD1 3.49Å; A517-D519 PolarHBondContact O-N 3.05Å; A517-R520 HydrophobicContact CB-CB 4.46Å; A517-R520 HydrophobicContact CB-CG 4.1Å; A517-R520 PolarHBondContact O-N 2.69Å; A517-R520 VanDerWaalsContact O-N 3.13Å; A517-F521 PolarHBondContact O-N 3Å
518	P	86.5	Confident	89.2	Confident	100 Å²	100	49.1 Å²	49.1	65%	0.649	26%	0.261	S	S	*	.	H	α-helix	trans	-68.1	-31.9	-169.1	26.4	-34.9	0	0	0	113.5	R520 L522	P518-R520 VanDerWaalsContact C-N 3.34Å; P518-L522 WeakPolarHBondContact O-CG 3.32Å; P518-L522 PolarHBondContact O-N 3.16Å
519	D	89.1	Confident	89.4	Confident	90 Å²	90	51.6 Å²	51.6	48%	0.481	27%	0.27	S	S	.	.	H	α-helix	trans	-62.3	-42.3	173.3	59.9	-45.8	0	0	0	111.3	A517 L522 L523	A517-D519 VanDerWaalsContact CB-OD1 3.25Å; A517-D519 WeakPolarHBondContact CB-OD1 3.49Å; A517-D519 PolarHBondContact O-N 3.05Å; D519-L522 PolarHBondContact O-N 2.85Å; D519-L523 VanDerWaalsContact O-CG 3.28Å; D519-L523 WeakPolarHBondContact O-CG 3.41Å; D519-L523 PolarHBondContact O-N 3.09Å; D519-L523 VanDerWaalsContact O-N 3.13Å
520	R	88.6	Confident	89.6	Confident	38 Å²	38	52 Å²	52	14%	0.143	27%	0.272	C	S	.	.	H	α-helix	trans	-74.7	-33.5	-178.5	-55.6	-144.7	-155	167.2	10.6	112.7	N515 A517 P518 F524 V599 Q600 R602 N604	N515-R520 HydrophobicContact CB-CB 4.46Å; N515-R520 WeakPolarHBondContact ND2-CD 3.37Å; N515-R520 PolarHBondContact ND2-NE 3.14Å; N515-R520 PolarHBondContact ND2-NH1 2.73Å; N515-R520 PolarHBondContact ND2-NH2 2.84Å; A517-R520 HydrophobicContact CB-CB 4.46Å; A517-R520 HydrophobicContact CB-CG 4.1Å; A517-R520 PolarHBondContact O-N 2.69Å; A517-R520 VanDerWaalsContact O-N 3.13Å; P518-R520 VanDerWaalsContact C-N 3.34Å; R520-F524 VanDerWaalsContact O-CB 3.22Å; R520-F524 WeakPolarHBondContact O-CB 3.36Å; R520-F524 PolarHBondContact O-N 3.34Å; R520-V599 HydrophobicContact CB-CG1 3.9Å; R520-V599 WeakPolarHBondContact CD-O 3.38Å; R520-V599 HydrophobicContact CG-CG1 4.5Å; R520-V599 PolarHBondContact NH1-O 3.34Å; R520-V599 VanDerWaalsContact NH1-O 3.08Å; R520-V599 WeakPolarHBondContact O-CG1 3.39Å; R520-Q600 PolarHBondContact NH1-O 3.05Å; R520-R602 PolarHBondContact NH1-O 2.97Å; R520-R602 PolarHBondContact NH2-O 2.91Å; R520-N604 PolarHBondContact NH1-OD1 3.4Å; R520-N604 PolarHBondContact NH2-OD1 2.88Å; R520-N604 VanDerWaalsContact NH2-OD1 3.16Å
521	F	90.7	Very high	89.8	Confident	45 Å²	45	45.2 Å²	45.2	20%	0.197	25%	0.247	C	C	.	.	H	α-helix	trans	-59.1	-49.9	171.4	171.5	-104.3	0	0	0	111.6	Y509 A517 L523 F524 F525	Y509-F521 AromaticContact CD1-CD2 3.55Å; Y509-F521 HydrophobicContact CD1-CD2 3.55Å; Y509-F521 HydrophobicContact CD1-CE2 4.11Å; Y509-F521 HydrophobicContact CD2-CD2 4.29Å; Y509-F521 HydrophobicContact CE1-CB 4Å; Y509-F521 AromaticContact CE1-CD2 3.56Å; Y509-F521 HydrophobicContact CE1-CD2 3.56Å; Y509-F521 HydrophobicContact CE1-CG 4.24Å; Y509-F521 HydrophobicContact CE2-CD2 4.3Å; Y509-F521 AromaticContact CG-CD2 3.89Å; Y509-F521 HydrophobicContact CG-CD2 3.89Å; Y509-F521 HydrophobicContact CG-CE2 4.22Å; Y509-F521 AromaticContact CZ-CD2 3.91Å; Y509-F521 VanDerWaalsContact OH-CA 3.28Å; Y509-F521 WeakPolarHBondContact OH-CA 3Å; Y509-F521 PolarHBondContact OH-N 3.3Å; A517-F521 PolarHBondContact O-N 3Å; F521-L523 PolarHBondContact O-N 3.1Å; F521-F524 PolarHBondContact O-N 2.84Å; F521-F525 WeakPolarHBondContact O-CB 3.4Å; F521-F525 PolarHBondContact O-N 3.11Å
522	L	92.3	Very high	90	Very high	114 Å²	114	43 Å²	43	60%	0.597	24%	0.235	S	C	*	.	H	α-helix	trans	-64.2	-41.7	-179.4	-69	173.8	0	0	0	112.2	P518 D519 F525 L526	P518-L522 WeakPolarHBondContact O-CG 3.32Å; P518-L522 PolarHBondContact O-N 3.16Å; D519-L522 PolarHBondContact O-N 2.85Å; L522-F525 PolarHBondContact O-N 3.1Å; L522-L526 WeakPolarHBondContact O-CB 3.22Å; L522-L526 PolarHBondContact O-N 3.01Å
523	L	92.8	Very high	90.5	Very high	59 Å²	59	44.5 Å²	44.5	31%	0.309	24%	0.24	S	C	.	.	H	α-helix	trans	-63	-48.3	176.2	-73.3	171.9	0	0	0	111.4	D519 F521 F525 L526 L527 V599 L633 Y637	D519-L523 VanDerWaalsContact O-CG 3.28Å; D519-L523 WeakPolarHBondContact O-CG 3.41Å; D519-L523 PolarHBondContact O-N 3.09Å; D519-L523 VanDerWaalsContact O-N 3.13Å; F521-L523 PolarHBondContact O-N 3.1Å; L523-F525 VanDerWaalsContact C-N 3.34Å; L523-F525 PolarHBondContact O-N 3.47Å; L523-L526 PolarHBondContact O-N 3.43Å; L523-L527 PolarHBondContact O-N 3.33Å; L523-V599 HydrophobicContact CB-CG1 4.14Å; L523-V599 HydrophobicContact CB-CG2 3.95Å; L523-L633 HydrophobicContact CD1-CD2 4.31Å; L523-Y637 VanDerWaalsContact C-OH 3.25Å; L523-Y637 WeakPolarHBondContact CA-OH 3.15Å; L523-Y637 VanDerWaalsContact CB-OH 3.28Å; L523-Y637 WeakPolarHBondContact CB-OH 3.38Å; L523-Y637 HydrophobicContact CD2-CE2 4.25Å; L523-Y637 WeakPolarHBondContact CD2-OH 3.02Å; L523-Y637 PolarHBondContact O-OH 3.09Å
524	F	92.1	Very high	90.9	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-57.3	-48	175.4	173.7	-95.1	0	0	0	111.7	L445 I448 Y509 R520 F521 L526 L527 V528 M596 V599	L445-F524 HydrophobicContact CD2-CD2 4.3Å; L445-F524 HydrophobicContact CD2-CE2 3.65Å; I448-F524 HydrophobicContact CD1-CE2 4.49Å; I448-F524 HydrophobicContact CD1-CZ 3.88Å; I448-F524 HydrophobicContact CG2-CZ 4.05Å; Y509-F524 AromaticContact CD2-CD1 3.44Å; Y509-F524 HydrophobicContact CD2-CD1 3.44Å; Y509-F524 VanDerWaalsContact CD2-CD1 3.44Å; Y509-F524 AromaticContact CD2-CE1 3.61Å; Y509-F524 HydrophobicContact CD2-CE1 3.61Å; Y509-F524 HydrophobicContact CD2-CG 4.07Å; Y509-F524 HydrophobicContact CD2-CZ 4.34Å; Y509-F524 HydrophobicContact CE2-CB 4.04Å; Y509-F524 AromaticContact CE2-CD1 3.62Å; Y509-F524 HydrophobicContact CE2-CD1 3.62Å; Y509-F524 HydrophobicContact CE2-CD2 4.5Å; Y509-F524 HydrophobicContact CE2-CE1 4.19Å; Y509-F524 AromaticContact CE2-CG 3.79Å; Y509-F524 HydrophobicContact CE2-CG 3.79Å; R520-F524 VanDerWaalsContact O-CB 3.22Å; R520-F524 WeakPolarHBondContact O-CB 3.36Å; R520-F524 PolarHBondContact O-N 3.34Å; F521-F524 PolarHBondContact O-N 2.84Å; F524-L526 VanDerWaalsContact C-N 3.33Å; F524-L526 PolarHBondContact O-N 3.07Å; F524-L527 WeakPolarHBondContact O-CB 3.4Å; F524-L527 PolarHBondContact O-N 2.91Å; F524-V528 HydrophobicContact CD1-CG2 4.31Å; F524-V528 HydrophobicContact CE1-CG2 3.83Å; F524-V528 HydrophobicContact CE2-CG2 4.14Å; F524-V528 HydrophobicContact CZ-CG2 3.75Å; F524-V528 WeakPolarHBondContact O-CG2 3.28Å; F524-V528 PolarHBondContact O-N 2.96Å; F524-M596 HydrophobicContact CD2-CG 3.97Å; F524-M596 HydrophobicContact CD2-SD 4.18Å; F524-M596 HydrophobicContact CE2-CG 3.99Å; F524-M596 HydrophobicContact CE2-SD 3.61Å; F524-M596 HydrophobicContact CZ-SD 4.37Å; F524-V599 HydrophobicContact CB-CG1 4.34Å
525	F	92.9	Very high	91.3	Very high	36 Å²	36	41.9 Å²	41.9	16%	0.158	21%	0.214	C	C	.	.	H	α-helix	trans	-60.8	-42.4	179.4	-174.7	-97.1	0	0	0	112.1	T501 L502 F521 L522 L523 L527 V528 W529	T501-F525 HydrophobicContact CG2-CE2 3.81Å; T501-F525 HydrophobicContact CG2-CZ 3.78Å; L502-F525 HydrophobicContact CB-CZ 4.36Å; L502-F525 HydrophobicContact CD2-CE1 3.98Å; L502-F525 HydrophobicContact CD2-CE2 3.65Å; L502-F525 HydrophobicContact CD2-CZ 3.34Å; L502-F525 HydrophobicContact CG-CE1 4.44Å; L502-F525 HydrophobicContact CG-CE2 4.13Å; L502-F525 HydrophobicContact CG-CZ 3.6Å; F521-F525 WeakPolarHBondContact O-CB 3.4Å; F521-F525 PolarHBondContact O-N 3.11Å; L522-F525 PolarHBondContact O-N 3.1Å; L523-F525 VanDerWaalsContact C-N 3.34Å; L523-F525 PolarHBondContact O-N 3.47Å; F525-L527 VanDerWaalsContact C-N 3.33Å; F525-L527 PolarHBondContact O-N 3.28Å; F525-V528 PolarHBondContact O-N 2.94Å; F525-W529 WeakPolarHBondContact O-CB 3.26Å; F525-W529 PolarHBondContact O-N 2.98Å
526	L	94.3	Very high	91.8	Very high	79 Å²	79	41.3 Å²	41.3	41%	0.414	21%	0.21	S	C	.	.	H	α-helix	trans	-63.1	-37.6	176.6	-178.1	63.3	0	0	0	112.2	L522 L523 F524 W529 L530 Y637	L522-L526 WeakPolarHBondContact O-CB 3.22Å; L522-L526 PolarHBondContact O-N 3.01Å; L523-L526 PolarHBondContact O-N 3.43Å; F524-L526 VanDerWaalsContact C-N 3.33Å; F524-L526 PolarHBondContact O-N 3.07Å; L526-W529 PolarHBondContact O-N 3.13Å; L526-L530 HydrophobicContact CG-CD1 4.33Å; L526-L530 WeakPolarHBondContact O-CB 3.4Å; L526-L530 WeakPolarHBondContact O-CG 3.46Å; L526-L530 PolarHBondContact O-N 2.96Å; L526-Y637 HydrophobicContact CB-CE1 4.03Å; L526-Y637 HydrophobicContact CD2-CD1 3.87Å; L526-Y637 HydrophobicContact CD2-CE1 3.63Å; L526-Y637 HydrophobicContact CG-CD1 4.08Å; L526-Y637 HydrophobicContact CG-CE1 3.73Å
527	L	93.5	Very high	92.4	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.4	-49.6	174.4	-74.3	163.7	0	0	0	111.6	L523 F524 F525 W529 L530 M531 M596 V599 Y637 L640	L523-L527 PolarHBondContact O-N 3.33Å; F524-L527 WeakPolarHBondContact O-CB 3.4Å; F524-L527 PolarHBondContact O-N 2.91Å; F525-L527 VanDerWaalsContact C-N 3.33Å; F525-L527 PolarHBondContact O-N 3.28Å; L527-W529 VanDerWaalsContact C-N 3.26Å; L527-W529 PolarHBondContact O-N 3.46Å; L527-L530 PolarHBondContact O-N 3.48Å; L527-M531 VanDerWaalsContact O-CG 3.3Å; L527-M531 WeakPolarHBondContact O-CG 3.49Å; L527-M531 PolarHBondContact O-N 3.31Å; L527-M596 HydrophobicContact CB-CG 4.17Å; L527-M596 HydrophobicContact CD1-CG 4.06Å; L527-V599 HydrophobicContact CD1-CG2 3.95Å; L527-Y637 HydrophobicContact CD1-CE1 4.46Å; L527-Y637 WeakPolarHBondContact CD1-OH 3.4Å; L527-Y637 HydrophobicContact CD2-CD1 3.95Å; L527-Y637 HydrophobicContact CD2-CD2 4.47Å; L527-Y637 HydrophobicContact CD2-CE1 3.55Å; L527-Y637 HydrophobicContact CD2-CE2 4.12Å; L527-Y637 HydrophobicContact CD2-CG 4.39Å; L527-Y637 HydrophobicContact CG-CD1 4.38Å; L527-Y637 HydrophobicContact CG-CE1 3.51Å; L527-Y637 HydrophobicContact CG-CE2 4.32Å; L527-Y637 VanDerWaalsContact CG-CZ 3.48Å; L527-Y637 WeakPolarHBondContact CG-OH 3.36Å; L527-L640 HydrophobicContact CD2-CD1 3.74Å
528	V	93.7	Very high	92.8	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.012	17%	0.165	C	C	.	.	H	α-helix	trans	-59	-42.6	177.4	177.5	0	0	0	0	110.1	I448 T501 Y504 F524 F525 L530 M531 V532 M596	I448-V528 HydrophobicContact CG2-CG2 4Å; T501-V528 HydrophobicContact CG2-CG1 4.07Å; Y504-V528 HydrophobicContact CD1-CG1 4.24Å; Y504-V528 HydrophobicContact CE1-CG1 4.4Å; F524-V528 HydrophobicContact CD1-CG2 4.31Å; F524-V528 HydrophobicContact CE1-CG2 3.83Å; F524-V528 HydrophobicContact CE2-CG2 4.14Å; F524-V528 HydrophobicContact CZ-CG2 3.75Å; F524-V528 WeakPolarHBondContact O-CG2 3.28Å; F524-V528 PolarHBondContact O-N 2.96Å; F525-V528 PolarHBondContact O-N 2.94Å; V528-L530 PolarHBondContact O-N 3.44Å; V528-M531 PolarHBondContact O-N 3.39Å; V528-V532 HydrophobicContact CG1-CG2 4.23Å; V528-V532 WeakPolarHBondContact O-CB 3.44Å; V528-V532 VanDerWaalsContact O-CG2 3.23Å; V528-V532 WeakPolarHBondContact O-CG2 3.43Å; V528-V532 PolarHBondContact O-N 3.1Å; V528-M596 HydrophobicContact CG2-SD 4.03Å
529	W	94.7	Very high	93.2	Very high	53 Å²	53	28 Å²	28	20%	0.201	13%	0.134	C	C	.	.	H	α-helix	trans	-58.1	-49.6	175.2	-170.3	96.3	0	0	0	112	L494 H497 C498 T501 F525 L526 L527 M531 V532 Y533	L494-W529 HydrophobicContact CD2-CH2 4.28Å; L494-W529 HydrophobicContact CD2-CZ2 4.01Å; H497-W529 AromaticContact CD2-CE2 3.59Å; H497-W529 AromaticContact CD2-CZ2 3.73Å; H497-W529 AromaticContact CD2-NE1 3.57Å; H497-W529 AromaticContact NE2-CD1 3.9Å; H497-W529 AromaticContact NE2-CD2 3.83Å; H497-W529 AromaticContact NE2-CE2 3.57Å; H497-W529 AromaticContact NE2-NE1 3.62Å; H497-W529 PolarHBondContact NE2-O 3.31Å; C498-W529 PolarHBondContact SG-NE1 3.08Å; C498-W529 VanDerWaalsContact SG-NE1 3.39Å; T501-W529 HydrophobicContact CG2-CB 4.03Å; T501-W529 HydrophobicContact CG2-CG 4.49Å; F525-W529 WeakPolarHBondContact O-CB 3.26Å; F525-W529 PolarHBondContact O-N 2.98Å; L526-W529 PolarHBondContact O-N 3.13Å; L527-W529 VanDerWaalsContact C-N 3.26Å; L527-W529 PolarHBondContact O-N 3.46Å; W529-M531 PolarHBondContact O-N 2.89Å; W529-V532 PolarHBondContact O-N 3.14Å; W529-Y533 HydrophobicContact CH2-CD2 4.42Å; W529-Y533 HydrophobicContact CH2-CG 4.26Å; W529-Y533 HydrophobicContact CZ3-CG 4.31Å; W529-Y533 VanDerWaalsContact O-CB 3.31Å; W529-Y533 WeakPolarHBondContact O-CB 3.47Å; W529-Y533 PolarHBondContact O-N 3.28Å
530	L	94.7	Very high	93.4	Very high	11 Å²	11	24 Å²	24	6%	0.058	11%	0.113	C	C	.	.	H	α-helix	trans	-65	-39	178.9	-75.3	170.1	0	0	0	113.1	L526 L527 V528 Y533 G534 Y637 L640 V641	L526-L530 HydrophobicContact CG-CD1 4.33Å; L526-L530 WeakPolarHBondContact O-CB 3.4Å; L526-L530 WeakPolarHBondContact O-CG 3.46Å; L526-L530 PolarHBondContact O-N 2.96Å; L527-L530 PolarHBondContact O-N 3.48Å; V528-L530 PolarHBondContact O-N 3.44Å; L530-Y533 PolarHBondContact O-N 2.93Å; L530-G534 PolarHBondContact O-N 3.14Å; L530-Y637 HydrophobicContact CD1-CD1 3.7Å; L530-Y637 HydrophobicContact CD1-CE1 4.46Å; L530-L640 HydrophobicContact CB-CB 4.27Å; L530-L640 HydrophobicContact CB-CD1 4.26Å; L530-L640 HydrophobicContact CD1-CB 4.28Å; L530-L640 HydrophobicContact CD1-CD1 4.48Å; L530-V641 HydrophobicContact CD1-CG2 4.22Å; L530-V641 HydrophobicContact CD2-CG2 3.77Å
531	M	93.8	Very high	93.7	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	12%	0.116	C	C	.	.	H	α-helix	trans	-63	-49.3	177.2	-72.3	-178.5	81.9	0	0	111.6	L527 V528 W529 Y533 G534 S535 M589 G592 M596	L527-M531 VanDerWaalsContact O-CG 3.3Å; L527-M531 WeakPolarHBondContact O-CG 3.49Å; L527-M531 PolarHBondContact O-N 3.31Å; V528-M531 PolarHBondContact O-N 3.39Å; W529-M531 PolarHBondContact O-N 2.89Å; M531-Y533 VanDerWaalsContact C-N 3.31Å; M531-Y533 PolarHBondContact O-N 3.46Å; M531-G534 PolarHBondContact O-N 2.87Å; M531-S535 PolarHBondContact O-N 3.43Å; M531-M589 HydrophobicContact CE-SD 3.79Å; M531-G592 WeakPolarHBondContact SD-CA 3.4Å; M531-M596 HydrophobicContact CE-CE 4.16Å; M531-M596 HydrophobicContact SD-CE 3.53Å; M531-M596 VanDerWaalsContact SD-CE 3.53Å; M531-M596 HydrophobicContact SD-SD 4.34Å
532	V	93.4	Very high	93.8	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.018	11%	0.107	C	C	.	.	H	α-helix	trans	-68.7	-33.7	179.8	-178.3	0	0	0	0	110.1	P453 V456 F500 V528 W529 S535 R536	P453-V532 HydrophobicContact CG-CG2 4.36Å; V456-V532 HydrophobicContact CG2-CG1 4.07Å; F500-V532 HydrophobicContact CD1-CG1 4.5Å; F500-V532 HydrophobicContact CE1-CG1 4.34Å; V528-V532 HydrophobicContact CG1-CG2 4.23Å; V528-V532 WeakPolarHBondContact O-CB 3.44Å; V528-V532 VanDerWaalsContact O-CG2 3.23Å; V528-V532 WeakPolarHBondContact O-CG2 3.43Å; V528-V532 PolarHBondContact O-N 3.1Å; W529-V532 PolarHBondContact O-N 3.14Å; V532-S535 PolarHBondContact O-N 2.98Å; V532-S535 PolarHBondContact O-OG 2.94Å; V532-R536 WeakPolarHBondContact O-CG 3.45Å; V532-R536 PolarHBondContact O-N 3.22Å; V532-R536 VanDerWaalsContact O-N 3.13Å
533	Y	94.4	Very high	93.8	Very high	38 Å²	38	17 Å²	17	15%	0.149	8%	0.079	C	C	.	.	H	α-helix	trans	-66.1	-38.6	171.1	-166	-111.2	0	0	0	112.1	V490 L494 H497 W529 L530 M531 S535 R536 A537 C644 M648	V490-Y533 WeakPolarHBondContact CG1-OH 3.42Å; L494-Y533 HydrophobicContact CD2-CD2 4.31Å; L494-Y533 HydrophobicContact CD2-CE2 3.65Å; H497-Y533 AromaticContact CD2-CD2 3.51Å; H497-Y533 WeakPolarHBondContact NE2-CB 3.48Å; H497-Y533 AromaticContact NE2-CD2 3.72Å; W529-Y533 HydrophobicContact CH2-CD2 4.42Å; W529-Y533 HydrophobicContact CH2-CG 4.26Å; W529-Y533 HydrophobicContact CZ3-CG 4.31Å; W529-Y533 VanDerWaalsContact O-CB 3.31Å; W529-Y533 WeakPolarHBondContact O-CB 3.47Å; W529-Y533 PolarHBondContact O-N 3.28Å; L530-Y533 PolarHBondContact O-N 2.93Å; M531-Y533 VanDerWaalsContact C-N 3.31Å; M531-Y533 PolarHBondContact O-N 3.46Å; Y533-S535 VanDerWaalsContact C-N 3.31Å; Y533-S535 PolarHBondContact O-N 3.09Å; Y533-R536 WeakPolarHBondContact O-CB 3.49Å; Y533-R536 PolarHBondContact O-N 2.85Å; Y533-A537 WeakPolarHBondContact O-CB 3.37Å; Y533-A537 PolarHBondContact O-N 3Å; Y533-C644 HydrophobicContact CD1-CB 4.13Å; Y533-C644 HydrophobicContact CE1-CB 4.47Å; Y533-M648 WeakPolarHBondContact OH-CE 3.37Å
534	G	94.1	Very high	93.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-60.3	-40.2	175.4	0	0	0	0	0	112.5	L530 M531 A537 M538 C644	L530-G534 PolarHBondContact O-N 3.14Å; M531-G534 PolarHBondContact O-N 2.87Å; G534-A537 PolarHBondContact O-N 2.83Å; G534-M538 WeakPolarHBondContact O-CB 3.44Å; G534-M538 PolarHBondContact O-N 3.12Å; G534-C644 WeakPolarHBondContact CA-SG 3.26Å
535	S	93.6	Very high	93.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-68.1	-38.4	174.4	79	0	0	0	0	112.6	P453 M531 V532 Y533 M538 A539	P453-S535 WeakPolarHBondContact CA-OG 3.12Å; M531-S535 PolarHBondContact O-N 3.43Å; V532-S535 PolarHBondContact O-N 2.98Å; V532-S535 PolarHBondContact O-OG 2.94Å; Y533-S535 VanDerWaalsContact C-N 3.31Å; Y533-S535 PolarHBondContact O-N 3.09Å; S535-M538 PolarHBondContact O-N 3.46Å; S535-A539 VanDerWaalsContact O-CB 3.32Å; S535-A539 WeakPolarHBondContact O-CB 3.4Å; S535-A539 PolarHBondContact O-N 3.11Å
536	R	93.6	Very high	93.3	Very high	12 Å²	12	14.6 Å²	14.6	5%	0.045	7%	0.072	C	C	.	.	H	α-helix	trans	-60.2	-48.3	171.7	-71.6	-172.3	159.1	80.2	-2	111.6	V456 V460 H497 V532 Y533 M538 A539 L540	V456-R536 HydrophobicContact CG1-CB 4.42Å; V456-R536 HydrophobicContact CG1-CG 3.29Å; V460-R536 HydrophobicContact CG2-CG 4.06Å; H497-R536 PolarHBondContact CE1-NH1 3.44Å; H497-R536 VanDerWaalsContact CE1-NH1 3.31Å; H497-R536 PolarHBondContact ND1-NH1 3.49Å; V532-R536 WeakPolarHBondContact O-CG 3.45Å; V532-R536 PolarHBondContact O-N 3.22Å; V532-R536 VanDerWaalsContact O-N 3.13Å; Y533-R536 WeakPolarHBondContact O-CB 3.49Å; Y533-R536 PolarHBondContact O-N 2.85Å; R536-M538 VanDerWaalsContact C-N 3.33Å; R536-M538 PolarHBondContact O-N 3.07Å; R536-A539 WeakPolarHBondContact O-CB 3.21Å; R536-A539 PolarHBondContact O-N 3.01Å; R536-L540 WeakPolarHBondContact O-CG 3.37Å; R536-L540 PolarHBondContact O-N 2.95Å
537	A	94.9	Very high	92.6	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.008	5%	0.052	C	C	.	.	H	α-helix	trans	-61.5	-42.3	179.6	0	0	0	0	0	111.7	Y533 G534 L540 F541 F647 M648	Y533-A537 WeakPolarHBondContact O-CB 3.37Å; Y533-A537 PolarHBondContact O-N 3Å; G534-A537 PolarHBondContact O-N 2.83Å; A537-L540 PolarHBondContact O-N 2.91Å; A537-F541 PolarHBondContact O-N 3.13Å; A537-F647 HydrophobicContact CB-CB 3.8Å; A537-M648 HydrophobicContact CB-CG 4Å; A537-M648 HydrophobicContact CB-SD 3.81Å
538	M	94.9	Very high	92.2	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-60.6	-46.1	173.1	-175.9	-170.9	76.4	0	0	111.5	V457 G534 S535 R536 F541 V542 L559 F560 F563 F588 F647	V457-M538 HydrophobicContact CG1-CE 4.5Å; V457-M538 HydrophobicContact CG2-CE 3.67Å; G534-M538 WeakPolarHBondContact O-CB 3.44Å; G534-M538 PolarHBondContact O-N 3.12Å; S535-M538 PolarHBondContact O-N 3.46Å; R536-M538 VanDerWaalsContact C-N 3.33Å; R536-M538 PolarHBondContact O-N 3.07Å; M538-F541 WeakPolarHBondContact O-CB 3.41Å; M538-F541 PolarHBondContact O-N 3.35Å; M538-V542 WeakPolarHBondContact O-CG2 3.09Å; M538-V542 PolarHBondContact O-N 3.14Å; M538-L559 HydrophobicContact CE-CB 4.49Å; M538-L559 HydrophobicContact SD-CB 3.97Å; M538-F560 HydrophobicContact CE-CB 4.18Å; M538-F563 HydrophobicContact SD-CD2 3.88Å; M538-F563 HydrophobicContact SD-CE2 3.62Å; M538-F588 HydrophobicContact SD-CE1 4.02Å; M538-F647 HydrophobicContact CB-CD1 4.3Å; M538-F647 HydrophobicContact CB-CD2 4.25Å; M538-F647 HydrophobicContact CB-CE1 4.3Å; M538-F647 HydrophobicContact CB-CE2 4.22Å; M538-F647 HydrophobicContact CB-CG 4.3Å; M538-F647 HydrophobicContact CB-CZ 4.26Å; M538-F647 HydrophobicContact CG-CD1 4.43Å; M538-F647 HydrophobicContact CG-CE1 4.05Å; M538-F647 HydrophobicContact CG-CZ 4.12Å
539	A	94.8	Very high	91.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-61.8	-43.2	179.1	0	0	0	0	0	112.6	V457 V460 I461 S535 R536 V542 A543	V457-A539 HydrophobicContact CB-CB 4.48Å; V457-A539 HydrophobicContact CG1-CB 4.45Å; V457-A539 HydrophobicContact CG2-CB 4.39Å; V460-A539 HydrophobicContact CB-CB 3.89Å; V460-A539 HydrophobicContact CG1-CB 3.83Å; I461-A539 HydrophobicContact CG1-CB 4.07Å; S535-A539 VanDerWaalsContact O-CB 3.32Å; S535-A539 WeakPolarHBondContact O-CB 3.4Å; S535-A539 PolarHBondContact O-N 3.11Å; R536-A539 WeakPolarHBondContact O-CB 3.21Å; R536-A539 PolarHBondContact O-N 3.01Å; A539-V542 PolarHBondContact O-N 3.14Å; A539-A543 VanDerWaalsContact O-CB 3.29Å; A539-A543 WeakPolarHBondContact O-CB 3.24Å; A539-A543 PolarHBondContact O-N 3.28Å
540	L	93.6	Very high	91.6	Very high	7 Å²	7	21.2 Å²	21.2	4%	0.037	11%	0.106	C	C	.	.	H	α-helix	trans	-61.4	-44.2	174.8	-72.9	174.1	0	0	0	111.9	V460 R536 A537 A543 A544 Y651	V460-L540 HydrophobicContact CG1-CD2 3.66Å; V460-L540 HydrophobicContact CG1-CG 3.78Å; R536-L540 WeakPolarHBondContact O-CG 3.37Å; R536-L540 PolarHBondContact O-N 2.95Å; A537-L540 PolarHBondContact O-N 2.91Å; L540-A543 PolarHBondContact O-N 3.35Å; L540-A544 WeakPolarHBondContact O-CB 3.28Å; L540-A544 PolarHBondContact O-N 2.84Å; L540-Y651 HydrophobicContact CB-CD1 4.34Å; L540-Y651 HydrophobicContact CB-CD2 3.97Å; L540-Y651 HydrophobicContact CB-CE2 4.13Å; L540-Y651 HydrophobicContact CB-CG 4.1Å; L540-Y651 HydrophobicContact CD1-CE1 4.47Å; L540-Y651 WeakPolarHBondContact O-CD2 3.1Å
541	F	94.5	Very high	91.3	Very high	46 Å²	46	22.9 Å²	22.9	20%	0.202	12%	0.117	C	C	.	.	H	α-helix	trans	-58.3	-52.2	175.1	157	-114	0	0	0	111.5	A537 M538 A543 A544 A545 F647 L650	A537-F541 PolarHBondContact O-N 3.13Å; M538-F541 WeakPolarHBondContact O-CB 3.41Å; M538-F541 PolarHBondContact O-N 3.35Å; F541-A543 VanDerWaalsContact C-N 3.32Å; F541-A543 PolarHBondContact O-N 3.09Å; F541-A544 PolarHBondContact O-N 3Å; F541-A545 HydrophobicContact CE2-CB 4.13Å; F541-A545 WeakPolarHBondContact O-CB 3.29Å; F541-A545 PolarHBondContact O-N 2.99Å; F541-F647 HydrophobicContact CD1-CD1 4.1Å; F541-F647 HydrophobicContact CD1-CE1 4.44Å; F541-L650 HydrophobicContact CD2-CB 3.47Å; F541-L650 VanDerWaalsContact CD2-CB 3.47Å; F541-L650 HydrophobicContact CD2-CD1 4.4Å; F541-L650 HydrophobicContact CD2-CG 4.49Å; F541-L650 HydrophobicContact CE1-CD1 4.5Å; F541-L650 HydrophobicContact CE2-CB 3.82Å; F541-L650 HydrophobicContact CE2-CD1 4.27Å; F541-L650 HydrophobicContact CE2-CG 4.47Å; F541-L650 HydrophobicContact CG-CB 4.04Å; F541-L650 HydrophobicContact CZ-CD1 4.32Å
542	V	93.6	Very high	91.2	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.012	12%	0.117	C	C	.	.	H	α-helix	trans	-61.2	-43.3	-178.6	174.8	0	0	0	0	110.7	M538 A539 A544 A545 L546 S552 M555 L559	M538-V542 WeakPolarHBondContact O-CG2 3.09Å; M538-V542 PolarHBondContact O-N 3.14Å; A539-V542 PolarHBondContact O-N 3.14Å; V542-A544 VanDerWaalsContact C-N 3.33Å; V542-A544 PolarHBondContact O-N 3.26Å; V542-A545 PolarHBondContact O-N 2.78Å; V542-L546 HydrophobicContact CG1-CD1 3.92Å; V542-L546 WeakPolarHBondContact O-CB 3.46Å; V542-L546 PolarHBondContact O-N 2.61Å; V542-S552 VanDerWaalsContact CG1-O 3.31Å; V542-S552 WeakPolarHBondContact CG1-O 3.36Å; V542-M555 HydrophobicContact CG1-CB 3.94Å; V542-M555 HydrophobicContact CG1-CG 4.1Å; V542-L559 HydrophobicContact CG2-CD1 3.73Å
543	A	91.3	Very high	91.1	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.008	12%	0.124	C	C	.	.	H	α-helix	trans	-65.9	-32	179	0	0	0	0	0	113.7	I461 C464 A539 L540 F541	I461-A543 HydrophobicContact CG1-CB 4.3Å; C464-A543 HydrophobicContact CB-CB 3.69Å; A539-A543 VanDerWaalsContact O-CB 3.29Å; A539-A543 WeakPolarHBondContact O-CB 3.24Å; A539-A543 PolarHBondContact O-N 3.28Å; L540-A543 PolarHBondContact O-N 3.35Å; F541-A543 VanDerWaalsContact C-N 3.32Å; F541-A543 PolarHBondContact O-N 3.09Å
544	A	89.7	Confident	91.1	Very high	3 Å²	3	28.9 Å²	28.9	3%	0.025	15%	0.148	C	C	.	.	H	α-helix	trans	-80.3	-26.9	174.4	0	0	0	0	0	113.3	L540 F541 V542 Y651 C654 L655 Q660	L540-A544 WeakPolarHBondContact O-CB 3.28Å; L540-A544 PolarHBondContact O-N 2.84Å; F541-A544 PolarHBondContact O-N 3Å; V542-A544 VanDerWaalsContact C-N 3.33Å; V542-A544 PolarHBondContact O-N 3.26Å; A544-Y651 HydrophobicContact CB-CD2 3.51Å; A544-Y651 HydrophobicContact CB-CE2 3.68Å; A544-C654 HydrophobicContact CB-CB 3.78Å; A544-L655 HydrophobicContact CB-CD2 4.39Å; A544-Q660 PolarHBondContact O-NE2 3.18Å; A544-Q660 VanDerWaalsContact O-NE2 3.13Å; A544-Q660 PolarHBondContact O-OE1 3.28Å
545	A	89.4	Confident	91	Very high	21 Å²	21	32.7 Å²	32.7	17%	0.174	17%	0.167	C	C	.	.	H	α-helix	trans	-77.8	-39.7	179.1	0	0	0	0	0	111.7	F541 V542 Q660	F541-A545 HydrophobicContact CE2-CB 4.13Å; F541-A545 WeakPolarHBondContact O-CB 3.29Å; F541-A545 PolarHBondContact O-N 2.99Å; V542-A545 PolarHBondContact O-N 2.78Å; A545-Q660 VanDerWaalsContact C-NE2 3.3Å; A545-Q660 PolarHBondContact O-NE2 2.83Å
546	L	88	Confident	91	Very high	25 Å²	25	32.7 Å²	32.7	13%	0.131	17%	0.167	C	C	.	.			trans	-103.2	140	-170.8	-72.9	171.1	0	0	0	113	W58 R468 V542 S552 M555 Q660	W58-L546 HydrophobicContact CH2-CD2 4.29Å; W58-L546 HydrophobicContact CZ2-CD2 4.27Å; R468-L546 PolarHBondContact NH1-O 3.3Å; V542-L546 HydrophobicContact CG1-CD1 3.92Å; V542-L546 WeakPolarHBondContact O-CB 3.46Å; V542-L546 PolarHBondContact O-N 2.61Å; L546-S552 WeakPolarHBondContact CB-OG 3.44Å; L546-S552 PolarHBondContact O-OG 3.36Å; L546-M555 HydrophobicContact CD1-CB 3.39Å; L546-M555 HydrophobicContact CD1-CG 3.79Å; L546-Q660 PolarHBondContact O-NE2 3.31Å
547	P	80.6	Confident	91	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.174	C	C	.	.	S	Bend	trans	-83.6	-26.3	-167.2	26.6	-29.8	0	0	0	114.2	Y59 R468 Q660	Y59-P547 HydrophobicContact CD1-CB 4.04Å; Y59-P547 HydrophobicContact CD1-CG 3.04Å; Y59-P547 HydrophobicContact CE1-CB 3.51Å; Y59-P547 HydrophobicContact CE1-CG 2.99Å; Y59-P547 HydrophobicContact CG-CG 3.87Å; R468-P547 VanDerWaalsContact NH1-C 3.35Å; R468-P547 PolarHBondContact NH1-O 2.87Å; R468-P547 PolarHBondContact NH2-O 3.2Å; P547-Q660 HydrophobicContact CB-CG 4.45Å
548	T	84.3	Confident	90.9	Very high	25 Å²	25	35.6 Å²	35.6	15%	0.153	19%	0.188	C	C	.	.	S	Bend	trans	-115.3	147.7	-178.1	65.2	0	0	0	0	111.4	Y59 H465 Q550 T551 S552	Y59-T548 HydrophobicContact CE1-CG2 4.4Å; Y59-T548 HydrophobicContact CE2-CG2 3.8Å; Y59-T548 VanDerWaalsContact OH-CG2 3.31Å; Y59-T548 WeakPolarHBondContact OH-CG2 3.46Å; H465-T548 PolarHBondContact NE2-O 2.95Å; T548-Q550 PolarHBondContact O-N 3.13Å; T548-T551 PolarHBondContact O-N 2.74Å; T548-T551 PolarHBondContact O-OG1 2.93Å; T548-T551 VanDerWaalsContact O-OG1 3.04Å; T548-T551 WeakPolarHBondContact OG1-CB 3.38Å; T548-T551 WeakPolarHBondContact OG1-CG2 3.31Å; T548-T551 PolarHBondContact OG1-N 3.45Å; T548-T551 PolarHBondContact OG1-OG1 3.47Å; T548-S552 WeakPolarHBondContact O-CB 3.46Å; T548-S552 PolarHBondContact O-N 3.25Å; T548-S552 PolarHBondContact O-OG 3.43Å
549	L	87.9	Confident	90.8	Very high	81 Å²	81	38 Å²	38	42%	0.424	20%	0.201	S	C	.	.	H	α-helix	trans	-55.1	-42.7	177.6	176.6	60.8	0	0	0	111.9	I461 A462 H465 A553	I461-L549 HydrophobicContact CG2-CD1 3.83Å; A462-L549 HydrophobicContact CB-CD1 4.41Å; H465-L549 HydrophobicContact CB-CB 4.48Å; H465-L549 HydrophobicContact CB-CD1 4.27Å; H465-L549 PolarHBondContact CD2-N 2.8Å; H465-L549 PolarHBondContact NE2-N 3.38Å; L549-A553 VanDerWaalsContact O-CB 3.26Å; L549-A553 WeakPolarHBondContact O-CB 3.5Å; L549-A553 PolarHBondContact O-N 2.97Å
550	Q	88.9	Confident	90.8	Very high	166 Å²	166	38.5 Å²	38.5	78%	0.776	20%	0.203	S	C	*	.	H	α-helix	trans	-66.1	-45.2	-177.9	-64.3	178.8	-4.7	0	0	112.3	T548 A553 F554	T548-Q550 PolarHBondContact O-N 3.13Å; Q550-A553 PolarHBondContact O-N 3.19Å; Q550-F554 WeakPolarHBondContact O-CB 3.35Å; Q550-F554 PolarHBondContact O-N 2.87Å
551	T	88.4	Confident	90.7	Very high	47 Å²	47	41.5 Å²	41.5	29%	0.288	22%	0.221	S	C	.	.	H	α-helix	trans	-68.6	-40.4	178.9	57.1	0	0	0	0	111.4	T548 F554 M555	T548-T551 PolarHBondContact O-N 2.74Å; T548-T551 PolarHBondContact O-OG1 2.93Å; T548-T551 VanDerWaalsContact O-OG1 3.04Å; T548-T551 WeakPolarHBondContact OG1-CB 3.38Å; T548-T551 WeakPolarHBondContact OG1-CG2 3.31Å; T548-T551 PolarHBondContact OG1-N 3.45Å; T548-T551 PolarHBondContact OG1-OG1 3.47Å; T551-F554 PolarHBondContact O-N 3.18Å; T551-M555 WeakPolarHBondContact O-CB 3.28Å; T551-M555 PolarHBondContact O-N 3.26Å
552	S	91.4	Very high	90.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-48.2	173.8	-64	0	0	0	0	112	H465 V542 L546 T548 M555 G556	H465-S552 WeakPolarHBondContact CE1-CB 3.21Å; H465-S552 PolarHBondContact CE1-OG 3.11Å; H465-S552 PolarHBondContact NE2-OG 3.01Å; V542-S552 VanDerWaalsContact CG1-O 3.31Å; V542-S552 WeakPolarHBondContact CG1-O 3.36Å; L546-S552 WeakPolarHBondContact CB-OG 3.44Å; L546-S552 PolarHBondContact O-OG 3.36Å; T548-S552 WeakPolarHBondContact O-CB 3.46Å; T548-S552 PolarHBondContact O-N 3.25Å; T548-S552 PolarHBondContact O-OG 3.43Å; S552-M555 PolarHBondContact O-N 3.16Å; S552-G556 PolarHBondContact O-N 2.81Å
553	A	91.9	Very high	90.5	Very high	20 Å²	20	42.2 Å²	42.2	17%	0.165	23%	0.228	C	C	.	.	H	α-helix	trans	-63.2	-42.7	178.4	0	0	0	0	0	111.9	L458 L549 Q550 N557	L458-A553 HydrophobicContact CD2-CB 4.01Å; L549-A553 VanDerWaalsContact O-CB 3.26Å; L549-A553 WeakPolarHBondContact O-CB 3.5Å; L549-A553 PolarHBondContact O-N 2.97Å; Q550-A553 PolarHBondContact O-N 3.19Å; A553-N557 WeakPolarHBondContact O-CB 3.46Å; A553-N557 PolarHBondContact O-N 2.97Å; A553-N557 PolarHBondContact O-ND2 3.07Å
554	F	93.1	Very high	90.5	Very high	149 Å²	149	45.7 Å²	45.7	65%	0.654	24%	0.242	S	C	*	.	H	α-helix	trans	-60.8	-50.3	175.3	175	-99.9	0	0	0	111.8	Q550 T551 N557 A558	Q550-F554 WeakPolarHBondContact O-CB 3.35Å; Q550-F554 PolarHBondContact O-N 2.87Å; T551-F554 PolarHBondContact O-N 3.18Å; F554-N557 PolarHBondContact O-N 2.92Å; F554-A558 VanDerWaalsContact O-CB 3.31Å; F554-A558 WeakPolarHBondContact O-CB 3.48Å; F554-A558 PolarHBondContact O-N 2.71Å
555	M	92.9	Very high	90.5	Very high	79 Å²	79	49 Å²	49	39%	0.389	26%	0.259	S	S	.	.	H	α-helix	trans	-65.3	-41.8	-179.9	-174.8	63.3	68.6	0	0	111.9	V542 L546 T551 S552 N557 A558 L559	V542-M555 HydrophobicContact CG1-CB 3.94Å; V542-M555 HydrophobicContact CG1-CG 4.1Å; L546-M555 HydrophobicContact CD1-CB 3.39Å; L546-M555 HydrophobicContact CD1-CG 3.79Å; T551-M555 WeakPolarHBondContact O-CB 3.28Å; T551-M555 PolarHBondContact O-N 3.26Å; S552-M555 PolarHBondContact O-N 3.16Å; M555-N557 PolarHBondContact O-N 3.32Å; M555-A558 PolarHBondContact O-N 2.87Å; M555-L559 HydrophobicContact CG-CD1 4.13Å; M555-L559 HydrophobicContact CG-CG 4.47Å; M555-L559 WeakPolarHBondContact O-CB 3.46Å; M555-L559 WeakPolarHBondContact O-CG 3.36Å; M555-L559 PolarHBondContact O-N 2.87Å; M555-L559 HydrophobicContact SD-CD1 4.49Å; M555-L559 HydrophobicContact SD-CG 4.36Å
556	G	93.5	Very high	90.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-59.9	-45.8	177	0	0	0	0	0	111.6	S552 F560	S552-G556 PolarHBondContact O-N 2.81Å; G556-F560 WeakPolarHBondContact O-CB 3.42Å; G556-F560 PolarHBondContact O-N 3.38Å
557	N	92.9	Very high	90.3	Very high	39 Å²	39	47.2 Å²	47.2	21%	0.209	25%	0.247	C	C	.	.	H	α-helix	trans	-67.7	-40.8	175.8	-75.9	-22.4	0	0	0	112.5	A553 F554 M555 F560 T561	A553-N557 WeakPolarHBondContact O-CB 3.46Å; A553-N557 PolarHBondContact O-N 2.97Å; A553-N557 PolarHBondContact O-ND2 3.07Å; F554-N557 PolarHBondContact O-N 2.92Å; M555-N557 PolarHBondContact O-N 3.32Å; N557-F560 PolarHBondContact O-N 2.78Å; N557-T561 PolarHBondContact O-N 3.28Å; N557-T561 PolarHBondContact O-OG1 2.9Å
558	A	93.5	Very high	90.5	Very high	36 Å²	36	47.8 Å²	47.8	30%	0.298	25%	0.253	S	S	.	.	H	α-helix	trans	-61.6	-46.6	177.4	0	0	0	0	0	111.7	F554 M555 F560 T561 V562	F554-A558 VanDerWaalsContact O-CB 3.31Å; F554-A558 WeakPolarHBondContact O-CB 3.48Å; F554-A558 PolarHBondContact O-N 2.71Å; M555-A558 PolarHBondContact O-N 2.87Å; A558-F560 VanDerWaalsContact C-N 3.34Å; A558-F560 PolarHBondContact O-N 2.77Å; A558-T561 PolarHBondContact O-N 3.48Å; A558-V562 WeakPolarHBondContact O-CG2 3.32Å; A558-V562 PolarHBondContact O-N 3.08Å
559	L	93.1	Very high	90.6	Very high	50 Å²	50	50.8 Å²	50.8	26%	0.262	26%	0.264	S	S	.	.	H	α-helix	trans	-61.6	-42.8	174.7	-72.8	172.6	0	0	0	111.4	M538 V542 M555 T561 V562 F563	M538-L559 HydrophobicContact CE-CB 4.49Å; M538-L559 HydrophobicContact SD-CB 3.97Å; V542-L559 HydrophobicContact CG2-CD1 3.73Å; M555-L559 HydrophobicContact CG-CD1 4.13Å; M555-L559 HydrophobicContact CG-CG 4.47Å; M555-L559 WeakPolarHBondContact O-CB 3.46Å; M555-L559 WeakPolarHBondContact O-CG 3.36Å; M555-L559 PolarHBondContact O-N 2.87Å; M555-L559 HydrophobicContact SD-CD1 4.49Å; M555-L559 HydrophobicContact SD-CG 4.36Å; L559-T561 PolarHBondContact O-N 3.06Å; L559-V562 PolarHBondContact O-N 3.42Å; L559-F563 WeakPolarHBondContact O-CG 3.26Å; L559-F563 PolarHBondContact O-N 2.94Å
560	F	93.2	Very high	90.6	Very high	11 Å²	11	50.1 Å²	50.1	5%	0.048	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-45.2	174.8	179	-99.5	0	0	0	112.2	A450 P453 F454 M538 G556 N557 A558 V562 F563 Y564 F588 M589	A450-F560 VanDerWaalsContact O-CZ 3.25Å; A450-F560 WeakPolarHBondContact O-CZ 3.24Å; P453-F560 HydrophobicContact CB-CD2 4.23Å; P453-F560 HydrophobicContact CB-CE2 3.55Å; P453-F560 HydrophobicContact CB-CZ 4.31Å; F454-F560 HydrophobicContact CB-CD1 4.2Å; F454-F560 HydrophobicContact CB-CE1 3.63Å; F454-F560 HydrophobicContact CB-CZ 3.89Å; F454-F560 AromaticContact CD2-CD1 3.68Å; F454-F560 HydrophobicContact CD2-CD1 3.68Å; F454-F560 AromaticContact CD2-CE1 3.78Å; F454-F560 HydrophobicContact CD2-CE1 3.78Å; F454-F560 HydrophobicContact CG-CD1 4.42Å; F454-F560 HydrophobicContact CG-CE1 4.13Å; M538-F560 HydrophobicContact CE-CB 4.18Å; G556-F560 WeakPolarHBondContact O-CB 3.42Å; G556-F560 PolarHBondContact O-N 3.38Å; N557-F560 PolarHBondContact O-N 2.78Å; A558-F560 VanDerWaalsContact C-N 3.34Å; A558-F560 PolarHBondContact O-N 2.77Å; F560-V562 VanDerWaalsContact C-N 3.31Å; F560-V562 PolarHBondContact O-N 3.39Å; F560-F563 CarbonylContact O-C 3.46Å; F560-F563 PolarHBondContact O-N 3.37Å; F560-F563 VanDerWaalsContact O-N 3.15Å; F560-Y564 WeakPolarHBondContact O-CB 2.89Å; F560-Y564 PolarHBondContact O-N 3.11Å; F560-F588 HydrophobicContact CD2-CZ 4.31Å; F560-M589 HydrophobicContact CE2-SD 4.21Å
561	T	92.3	Very high	90.4	Very high	69 Å²	69	45.6 Å²	45.6	42%	0.423	24%	0.243	S	C	.	.	H	α-helix	trans	-61.7	-38.5	177.8	-58.6	0	0	0	0	111.8	N557 A558 L559 Y564 L565	N557-T561 PolarHBondContact O-N 3.28Å; N557-T561 PolarHBondContact O-OG1 2.9Å; A558-T561 PolarHBondContact O-N 3.48Å; L559-T561 PolarHBondContact O-N 3.06Å; T561-Y564 WeakPolarHBondContact O-CB 3.33Å; T561-Y564 PolarHBondContact O-N 3.37Å; T561-L565 HydrophobicContact CG2-CD1 4.24Å; T561-L565 HydrophobicContact CG2-CG 4.49Å; T561-L565 WeakPolarHBondContact O-CG 3.47Å; T561-L565 PolarHBondContact O-N 3.07Å
562	V	91.7	Very high	90.1	Very high	53 Å²	53	46 Å²	46	32%	0.321	25%	0.249	S	C	.	.	H	α-helix	trans	-62.2	-45.8	173.5	171.3	0	0	0	0	110.8	A558 L559 F560 Y564 L565 T566 L583	A558-V562 WeakPolarHBondContact O-CG2 3.32Å; A558-V562 PolarHBondContact O-N 3.08Å; L559-V562 PolarHBondContact O-N 3.42Å; F560-V562 VanDerWaalsContact C-N 3.31Å; F560-V562 PolarHBondContact O-N 3.39Å; V562-Y564 VanDerWaalsContact C-N 3.35Å; V562-Y564 PolarHBondContact O-N 3.31Å; V562-L565 PolarHBondContact O-N 3.39Å; V562-T566 WeakPolarHBondContact O-CB 2.97Å; V562-T566 WeakPolarHBondContact O-CG2 3.47Å; V562-T566 PolarHBondContact O-N 2.92Å; V562-T566 PolarHBondContact O-OG1 3Å; V562-L583 HydrophobicContact CG1-CB 4.26Å; V562-L583 HydrophobicContact CG1-CD1 3.94Å; V562-L583 HydrophobicContact CG1-CD2 4.41Å; V562-L583 HydrophobicContact CG1-CG 4.44Å
563	F	92.1	Very high	89.6	Confident	10 Å²	10	47.6 Å²	47.6	4%	0.044	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-34.4	177.4	-70.4	-17.2	0	0	0	113.6	M538 L559 F560 T566 G567 S587 F588 M589 F647	M538-F563 HydrophobicContact SD-CD2 3.88Å; M538-F563 HydrophobicContact SD-CE2 3.62Å; L559-F563 WeakPolarHBondContact O-CG 3.26Å; L559-F563 PolarHBondContact O-N 2.94Å; F560-F563 CarbonylContact O-C 3.46Å; F560-F563 PolarHBondContact O-N 3.37Å; F560-F563 VanDerWaalsContact O-N 3.15Å; F563-T566 WeakPolarHBondContact CA-OG1 3.08Å; F563-T566 PolarHBondContact O-OG1 3.41Å; F563-G567 PolarHBondContact O-N 3.22Å; F563-S587 WeakPolarHBondContact CA-OG 3.24Å; F563-S587 VanDerWaalsContact CB-OG 3.3Å; F563-S587 WeakPolarHBondContact CB-OG 3.42Å; F563-S587 PolarHBondContact O-OG 3.08Å; F563-F588 HydrophobicContact CD2-CD1 4.03Å; F563-F588 AromaticContact CD2-CE1 3.63Å; F563-F588 HydrophobicContact CD2-CE1 3.63Å; F563-F588 HydrophobicContact CD2-CZ 4.32Å; F563-F588 HydrophobicContact CE2-CD1 4.22Å; F563-F588 HydrophobicContact CE2-CE1 4.03Å; F563-M589 HydrophobicContact CB-CB 4.49Å; F563-M589 HydrophobicContact CB-CG 4.09Å; F563-M589 WeakPolarHBondContact O-CB 3.47Å; F563-F647 HydrophobicContact CE2-CE2 4.49Å; F563-F647 AromaticContact CE2-CZ 3.98Å; F563-F647 HydrophobicContact CE2-CZ 3.98Å; F563-F647 HydrophobicContact CZ-CZ 4.13Å
564	Y	91.6	Very high	88.9	Confident	75 Å²	75	52 Å²	52	29%	0.294	27%	0.274	S	S	.	.	H	α-helix	trans	-61.4	-57.9	171	177.7	-96.5	0	0	0	110.5	Y446 A450 F560 T561 V562 T566 G567 V570 M589	Y446-Y564 HydrophobicContact CD1-CE2 4.48Å; Y446-Y564 HydrophobicContact CE1-CD2 4.03Å; Y446-Y564 AromaticContact CE1-CE2 3.37Å; Y446-Y564 HydrophobicContact CE1-CE2 3.37Å; Y446-Y564 AromaticContact CE1-CZ 3.77Å; Y446-Y564 AromaticContact CZ-CD2 3.87Å; Y446-Y564 AromaticContact CZ-CE2 3.7Å; Y446-Y564 WeakPolarHBondContact OH-CD2 3.43Å; Y446-Y564 VanDerWaalsContact OH-CE2 3.27Å; Y446-Y564 WeakPolarHBondContact OH-CE2 3.37Å; Y446-Y564 PolarHBondContact OH-O 2.9Å; A450-Y564 HydrophobicContact CB-CD2 3.81Å; A450-Y564 HydrophobicContact CB-CE2 3.78Å; F560-Y564 WeakPolarHBondContact O-CB 2.89Å; F560-Y564 PolarHBondContact O-N 3.11Å; T561-Y564 WeakPolarHBondContact O-CB 3.33Å; T561-Y564 PolarHBondContact O-N 3.37Å; V562-Y564 VanDerWaalsContact C-N 3.35Å; V562-Y564 PolarHBondContact O-N 3.31Å; Y564-T566 PolarHBondContact O-N 2.84Å; Y564-T566 VanDerWaalsContact O-N 3.14Å; Y564-G567 PolarHBondContact O-N 2.77Å; Y564-V570 HydrophobicContact CE1-CG2 3.89Å; Y564-M589 HydrophobicContact CD2-CE 4.46Å
565	L	90.3	Very high	88.3	Confident	72 Å²	72	51.5 Å²	51.5	38%	0.377	28%	0.278	S	S	.	.	H	α-helix	trans	-60	-32.1	-178.9	-67.7	174.3	0	0	0	113.1	T561 V562 G567 V570 I571	T561-L565 HydrophobicContact CG2-CD1 4.24Å; T561-L565 HydrophobicContact CG2-CG 4.49Å; T561-L565 WeakPolarHBondContact O-CG 3.47Å; T561-L565 PolarHBondContact O-N 3.07Å; V562-L565 PolarHBondContact O-N 3.39Å; L565-G567 VanDerWaalsContact C-N 3.34Å; L565-V570 HydrophobicContact CD2-CG1 4.1Å; L565-I571 HydrophobicContact CB-CD1 4.47Å
566	T	88.8	Confident	87.8	Confident	9 Å²	9	49 Å²	49	6%	0.055	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	7	-179.7	57.6	0	0	0	0	114.7	V562 F563 Y564 G568 M576 A580 S584	V562-T566 WeakPolarHBondContact O-CB 2.97Å; V562-T566 WeakPolarHBondContact O-CG2 3.47Å; V562-T566 PolarHBondContact O-N 2.92Å; V562-T566 PolarHBondContact O-OG1 3Å; F563-T566 WeakPolarHBondContact CA-OG1 3.08Å; F563-T566 PolarHBondContact O-OG1 3.41Å; Y564-T566 PolarHBondContact O-N 2.84Å; Y564-T566 VanDerWaalsContact O-N 3.14Å; T566-G568 VanDerWaalsContact C-N 3.33Å; T566-G568 PolarHBondContact O-N 3.41Å; T566-M576 HydrophobicContact CG2-CE 4.5Å; T566-A580 HydrophobicContact CG2-CB 4.41Å; T566-S584 PolarHBondContact O-OG 2.83Å
567	G	84.8	Confident	87.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.301	C	S	.	.	S	Bend	trans	-75	-10.4	-175	0	0	0	0	0	116.2	F563 Y564 L565 F593	F563-G567 PolarHBondContact O-N 3.22Å; Y564-G567 PolarHBondContact O-N 2.77Å; L565-G567 VanDerWaalsContact C-N 3.34Å; G567-F593 WeakPolarHBondContact O-CD1 3.38Å
568	G	83.9	Confident	86.8	Confident	13 Å²	13	62 Å²	62	13%	0.134	32%	0.32	C	S	.	.	S	Bend	trans	96.9	-14	174.4	0	0	0	0	0	116.1	T566 I571	T566-G568 VanDerWaalsContact C-N 3.33Å; T566-G568 PolarHBondContact O-N 3.41Å; G568-I571 CarbonylContact C-O 3.58Å; G568-I571 VanDerWaalsContact CA-O 3.31Å; G568-I571 WeakPolarHBondContact CA-O 3.49Å
569	F	86.9	Confident	86.4	Confident	88 Å²	88	63.8 Å²	63.8	39%	0.386	33%	0.327	S	S	.	.	S	Bend	trans	-85.7	-52.2	173.7	178.3	-106.2	0	0	0	112.7	V442 A443 Y446 F593	V442-F569 HydrophobicContact CG1-CD2 3.75Å; V442-F569 HydrophobicContact CG1-CE2 3.87Å; A443-F569 HydrophobicContact CB-CE2 4.25Å; A443-F569 HydrophobicContact CB-CZ 3.84Å; Y446-F569 HydrophobicContact CD1-CB 4Å; Y446-F569 AromaticContact CD1-CD1 3.32Å; Y446-F569 HydrophobicContact CD1-CD1 3.32Å; Y446-F569 HydrophobicContact CD1-CE1 4.02Å; Y446-F569 AromaticContact CD1-CG 3.86Å; Y446-F569 HydrophobicContact CD1-CG 3.86Å; Y446-F569 HydrophobicContact CD2-CB 3.36Å; Y446-F569 HydrophobicContact CD2-CD1 4.32Å; Y446-F569 HydrophobicContact CD2-CG 4.05Å; Y446-F569 HydrophobicContact CE1-CB 4.25Å; Y446-F569 AromaticContact CE1-CD1 3.72Å; Y446-F569 HydrophobicContact CE1-CD1 3.72Å; Y446-F569 HydrophobicContact CE1-CG 4.38Å; Y446-F569 HydrophobicContact CE2-CB 3.67Å; Y446-F569 HydrophobicContact CG-CB 3.54Å; Y446-F569 AromaticContact CG-CD1 3.65Å; Y446-F569 HydrophobicContact CG-CD1 3.65Å; Y446-F569 AromaticContact CG-CG 3.67Å; Y446-F569 HydrophobicContact CG-CG 3.67Å; F569-F593 HydrophobicContact CB-CE1 3.93Å; F569-F593 HydrophobicContact CB-CZ 3.9Å; F569-F593 HydrophobicContact CD2-CZ 4.16Å; F569-F593 HydrophobicContact CG-CZ 4.42Å
570	V	86.4	Confident	85.8	Confident	67 Å²	67	62.8 Å²	62.8	41%	0.406	33%	0.326	S	S	.	.	S	Bend	trans	-69.4	-42.1	-177.5	-178.4	0	0	0	0	111.3	Y446 Y564 L565	Y446-V570 HydrophobicContact CE1-CG2 3.94Å; Y564-V570 HydrophobicContact CE1-CG2 3.89Å; L565-V570 HydrophobicContact CD2-CG1 4.1Å
571	I	84.9	Confident	85.4	Confident	70 Å²	70	63.7 Å²	63.7	36%	0.359	33%	0.334	S	S	.	.	S	Bend	trans	-125.1	126.6	177	-57.2	175.4	0	0	0	106.9	L565 G568 L573 M576	L565-I571 HydrophobicContact CB-CD1 4.47Å; G568-I571 CarbonylContact C-O 3.58Å; G568-I571 VanDerWaalsContact CA-O 3.31Å; G568-I571 WeakPolarHBondContact CA-O 3.49Å; I571-L573 PolarHBondContact O-N 3.24Å; I571-M576 HydrophobicContact CB-CE 3.71Å; I571-M576 HydrophobicContact CG2-CE 3.79Å; I571-M576 HydrophobicContact CG2-CG 3.93Å; I571-M576 WeakPolarHBondContact O-CE 3.49Å
572	S	83.3	Confident	85	Confident	57 Å²	57	69 Å²	69	40%	0.399	35%	0.346	S	S	.	.			trans	-60	130.2	171.5	175.3	0	0	0	0	109.9	E574 N575	S572-E574 PolarHBondContact O-N 2.87Å; S572-N575 PolarHBondContact O-N 3.36Å; S572-N575 VanDerWaalsContact O-N 3.15Å
573	L	79.9	Confident	84.7	Confident	33 Å²	33	70 Å²	70	17%	0.173	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-55	-24.5	-177.6	-73	164.3	0	0	0	113.5	I571 M576 S584 L628	I571-L573 PolarHBondContact O-N 3.24Å; L573-M576 HydrophobicContact CD2-CE 4.3Å; L573-M576 HydrophobicContact CD2-SD 4.03Å; L573-S584 VanDerWaalsContact CD2-OG 3.26Å; L573-S584 WeakPolarHBondContact CD2-OG 3.28Å; L573-L628 HydrophobicContact CD1-CD2 3.38Å; L573-L628 HydrophobicContact CD1-CG 4.43Å
574	E	77	Confident	84.5	Confident	113 Å²	113	69.6 Å²	69.6	53%	0.528	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-80.4	-28.9	-174.1	-150.3	163.5	-124.2	0	0	113.5	S572 M576 K627	S572-E574 PolarHBondContact O-N 2.87Å; E574-M576 VanDerWaalsContact C-N 3.27Å; E574-M576 PolarHBondContact O-N 3.43Å; E574-K627 VanDerWaalsContact CD-CD 3.45Å; E574-K627 WeakPolarHBondContact OE1-CD 3.31Å; E574-K627 VanDerWaalsContact OE1-CE 3.26Å; E574-K627 WeakPolarHBondContact OE1-CE 3.09Å; E574-K627 IonicContact OE1-NZ 2.66Å; E574-K627 PolarHBondContact OE1-NZ 2.75Å; E574-K627 IonicContact OE2-NZ 3.59Å; E574-K627 PolarHBondContact OE2-NZ 3.36Å
575	N	80.8	Confident	84.3	Confident	137 Å²	137	70.3 Å²	70.3	73%	0.733	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-89	4.5	178.9	-67.2	-17.4	0	0	0	112.1	S572	S572-N575 PolarHBondContact O-N 3.36Å; S572-N575 VanDerWaalsContact O-N 3.15Å
576	M	82.1	Confident	84.1	Confident	26 Å²	26	69 Å²	69	13%	0.128	35%	0.35	C	S	.	.			trans	-78.3	135.4	-178.3	-68.4	-171.7	173.2	0	0	111.5	T566 I571 L573 E574 A580	T566-M576 HydrophobicContact CG2-CE 4.5Å; I571-M576 HydrophobicContact CB-CE 3.71Å; I571-M576 HydrophobicContact CG2-CE 3.79Å; I571-M576 HydrophobicContact CG2-CG 3.93Å; I571-M576 WeakPolarHBondContact O-CE 3.49Å; L573-M576 HydrophobicContact CD2-CE 4.3Å; L573-M576 HydrophobicContact CD2-SD 4.03Å; E574-M576 VanDerWaalsContact C-N 3.27Å; E574-M576 PolarHBondContact O-N 3.43Å; M576-A580 HydrophobicContact CB-CB 4.41Å
577	W	83.4	Confident	84.2	Confident	194 Å²	194	68.6 Å²	68.6	74%	0.735	35%	0.347	S	S	*	.			trans	-61.8	150.9	167	175.2	40.2	0	0	0	111	V579 A580 S581	W577-V579 VanDerWaalsContact C-N 3.3Å; W577-V579 HydrophobicContact CD2-CB 4.28Å; W577-V579 HydrophobicContact CD2-CG2 4.27Å; W577-V579 HydrophobicContact CE3-CB 4.18Å; W577-V579 HydrophobicContact CE3-CG2 4.4Å; W577-V579 HydrophobicContact CH2-CB 4.3Å; W577-V579 HydrophobicContact CH2-CG2 3.77Å; W577-V579 HydrophobicContact CZ2-CB 4.39Å; W577-V579 HydrophobicContact CZ2-CG2 3.59Å; W577-V579 HydrophobicContact CZ3-CB 4.2Å; W577-V579 HydrophobicContact CZ3-CG2 4.18Å; W577-V579 PolarHBondContact O-N 3.04Å; W577-V579 VanDerWaalsContact O-N 3.15Å; W577-A580 WeakPolarHBondContact O-CB 3.35Å; W577-A580 PolarHBondContact O-N 3.01Å; W577-S581 PolarHBondContact O-N 2.99Å
578	L	83.9	Confident	84.6	Confident	120 Å²	120	68.6 Å²	68.6	63%	0.628	35%	0.347	S	S	*	.	H	α-helix	trans	-46.6	-46.5	-176.3	-172.3	69.3	0	0	0	113.5	S581 W582	L578-S581 VanDerWaalsContact O-CB 3.28Å; L578-S581 WeakPolarHBondContact O-CB 3.49Å; L578-S581 PolarHBondContact O-N 3.36Å; L578-S581 VanDerWaalsContact O-N 3.17Å; L578-W582 PolarHBondContact O-N 2.95Å
579	V	83.2	Confident	84.9	Confident	72 Å²	72	68 Å²	68	44%	0.436	34%	0.341	S	S	.	.	H	α-helix	trans	-64.3	-42.8	-179.1	180	0	0	0	0	111.9	W577 S581 W582 L583	W577-V579 VanDerWaalsContact C-N 3.3Å; W577-V579 HydrophobicContact CD2-CB 4.28Å; W577-V579 HydrophobicContact CD2-CG2 4.27Å; W577-V579 HydrophobicContact CE3-CB 4.18Å; W577-V579 HydrophobicContact CE3-CG2 4.4Å; W577-V579 HydrophobicContact CH2-CB 4.3Å; W577-V579 HydrophobicContact CH2-CG2 3.77Å; W577-V579 HydrophobicContact CZ2-CB 4.39Å; W577-V579 HydrophobicContact CZ2-CG2 3.59Å; W577-V579 HydrophobicContact CZ3-CB 4.2Å; W577-V579 HydrophobicContact CZ3-CG2 4.18Å; W577-V579 PolarHBondContact O-N 3.04Å; W577-V579 VanDerWaalsContact O-N 3.15Å; V579-S581 VanDerWaalsContact C-N 3.25Å; V579-S581 PolarHBondContact O-N 3.29Å; V579-W582 PolarHBondContact O-N 3.31Å; V579-L583 PolarHBondContact O-N 3.4Å
580	A	82.1	Confident	85.1	Confident	29 Å²	29	64.3 Å²	64.3	24%	0.24	33%	0.325	C	S	.	.	H	α-helix	trans	-65.6	-31.3	175.9	0	0	0	0	0	111.7	T566 M576 W577 L583 S584	T566-A580 HydrophobicContact CG2-CB 4.41Å; M576-A580 HydrophobicContact CB-CB 4.41Å; W577-A580 WeakPolarHBondContact O-CB 3.35Å; W577-A580 PolarHBondContact O-N 3.01Å; A580-L583 PolarHBondContact O-N 3.17Å; A580-S584 VanDerWaalsContact O-CB 3.31Å; A580-S584 WeakPolarHBondContact O-CB 3.46Å; A580-S584 PolarHBondContact O-N 3.25Å
581	S	83.1	Confident	85.4	Confident	30 Å²	30	61.6 Å²	61.6	21%	0.21	31%	0.307	C	S	.	.	H	α-helix	trans	-64.3	-42.3	174.4	-164.9	0	0	0	0	112.3	W577 L578 V579 L583 S584 Y585	W577-S581 PolarHBondContact O-N 2.99Å; L578-S581 VanDerWaalsContact O-CB 3.28Å; L578-S581 WeakPolarHBondContact O-CB 3.49Å; L578-S581 PolarHBondContact O-N 3.36Å; L578-S581 VanDerWaalsContact O-N 3.17Å; V579-S581 VanDerWaalsContact C-N 3.25Å; V579-S581 PolarHBondContact O-N 3.29Å; S581-L583 PolarHBondContact O-N 3.05Å; S581-S584 VanDerWaalsContact O-CB 3.29Å; S581-S584 WeakPolarHBondContact O-CB 3.45Å; S581-S584 PolarHBondContact O-N 3.33Å; S581-Y585 WeakPolarHBondContact O-CD2 3.28Å; S581-Y585 PolarHBondContact O-N 2.85Å
582	W	85.8	Confident	85.7	Confident	181 Å²	181	58.2 Å²	58.2	69%	0.686	29%	0.29	S	S	*	.	H	α-helix	trans	-60.5	-44.6	173.8	-70.8	103	0	0	0	112.3	L578 V579 S584 Y585 A586	L578-W582 PolarHBondContact O-N 2.95Å; V579-W582 PolarHBondContact O-N 3.31Å; W582-S584 VanDerWaalsContact C-N 3.3Å; W582-S584 PolarHBondContact O-N 3.4Å; W582-Y585 PolarHBondContact O-N 3.28Å; W582-A586 PolarHBondContact O-N 3.29Å
583	L	85.2	Confident	86.1	Confident	75 Å²	75	55.6 Å²	55.6	39%	0.393	27%	0.272	S	S	.	.	H	α-helix	trans	-64.1	-36.8	176.1	-73.9	163.8	0	0	0	111.9	V562 V579 A580 S581 Y585 A586 S587	V562-L583 HydrophobicContact CG1-CB 4.26Å; V562-L583 HydrophobicContact CG1-CD1 3.94Å; V562-L583 HydrophobicContact CG1-CD2 4.41Å; V562-L583 HydrophobicContact CG1-CG 4.44Å; V579-L583 PolarHBondContact O-N 3.4Å; A580-L583 PolarHBondContact O-N 3.17Å; S581-L583 PolarHBondContact O-N 3.05Å; L583-Y585 VanDerWaalsContact C-N 3.33Å; L583-Y585 PolarHBondContact O-N 2.82Å; L583-A586 PolarHBondContact O-N 3.26Å; L583-S587 PolarHBondContact O-N 3.49Å; L583-S587 VanDerWaalsContact O-N 3.1Å
584	S	86.4	Confident	86.6	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-61.5	-39.3	175	-173.8	0	0	0	0	111.9	T566 L573 A580 S581 W582 A586 S587 R590	T566-S584 PolarHBondContact O-OG 2.83Å; L573-S584 VanDerWaalsContact CD2-OG 3.26Å; L573-S584 WeakPolarHBondContact CD2-OG 3.28Å; A580-S584 VanDerWaalsContact O-CB 3.31Å; A580-S584 WeakPolarHBondContact O-CB 3.46Å; A580-S584 PolarHBondContact O-N 3.25Å; S581-S584 VanDerWaalsContact O-CB 3.29Å; S581-S584 WeakPolarHBondContact O-CB 3.45Å; S581-S584 PolarHBondContact O-N 3.33Å; W582-S584 VanDerWaalsContact C-N 3.3Å; W582-S584 PolarHBondContact O-N 3.4Å; S584-A586 VanDerWaalsContact C-N 3.3Å; S584-A586 PolarHBondContact O-N 3.23Å; S584-S587 VanDerWaalsContact O-CB 3.27Å; S584-S587 WeakPolarHBondContact O-CB 3.16Å; S584-S587 PolarHBondContact O-N 2.95Å; S584-S587 VanDerWaalsContact O-N 3.14Å; S584-R590 WeakPolarHBondContact O-CD 3.49Å; S584-R590 WeakPolarHBondContact OG-CD 3.48Å; S584-R590 PolarHBondContact OG-NH1 2.91Å
585	Y	87.1	Confident	87.3	Confident	90 Å²	90	48.8 Å²	48.8	35%	0.353	24%	0.239	S	C	.	.	H	α-helix	trans	-66.5	-29.2	175.3	-75.4	-65.2	0	0	0	113.7	S581 W582 L583 S587 W591	S581-Y585 WeakPolarHBondContact O-CD2 3.28Å; S581-Y585 PolarHBondContact O-N 2.85Å; W582-Y585 PolarHBondContact O-N 3.28Å; L583-Y585 VanDerWaalsContact C-N 3.33Å; L583-Y585 PolarHBondContact O-N 2.82Å; Y585-S587 VanDerWaalsContact C-N 3.33Å; Y585-W591 HydrophobicContact CD1-CH2 4.43Å; Y585-W591 AromaticContact CD1-CZ2 3.78Å; Y585-W591 HydrophobicContact CD1-CZ2 3.78Å; Y585-W591 HydrophobicContact CE1-CZ2 4.33Å; Y585-W591 PolarHBondContact O-NE1 3.07Å
586	A	87.2	Confident	87.8	Confident	45 Å²	45	42.3 Å²	42.3	37%	0.372	20%	0.204	S	C	.	.	H	α-helix	trans	-82.2	-12.3	174	0	0	0	0	0	113.3	W582 L583 S584 F588	W582-A586 PolarHBondContact O-N 3.29Å; L583-A586 PolarHBondContact O-N 3.26Å; S584-A586 VanDerWaalsContact C-N 3.3Å; S584-A586 PolarHBondContact O-N 3.23Å; A586-F588 PolarHBondContact O-N 3.48Å
587	S	91.3	Very high	88.2	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.			trans	-77.2	117.2	-174.2	179.8	0	0	0	0	111.8	F563 L583 S584 Y585 M589 R590 W591	F563-S587 WeakPolarHBondContact CA-OG 3.24Å; F563-S587 VanDerWaalsContact CB-OG 3.3Å; F563-S587 WeakPolarHBondContact CB-OG 3.42Å; F563-S587 PolarHBondContact O-OG 3.08Å; L583-S587 PolarHBondContact O-N 3.49Å; L583-S587 VanDerWaalsContact O-N 3.1Å; S584-S587 VanDerWaalsContact O-CB 3.27Å; S584-S587 WeakPolarHBondContact O-CB 3.16Å; S584-S587 PolarHBondContact O-N 2.95Å; S584-S587 VanDerWaalsContact O-N 3.14Å; Y585-S587 VanDerWaalsContact C-N 3.33Å; S587-M589 PolarHBondContact O-N 3.39Å; S587-M589 WeakPolarHBondContact OG-CB 3.42Å; S587-M589 PolarHBondContact OG-N 3.42Å; S587-R590 PolarHBondContact O-N 2.81Å; S587-W591 VanDerWaalsContact O-CD1 3.25Å
588	F	92	Very high	88.5	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.9	-23.4	170.3	61.2	-98.9	0	0	0	112.2	P453 M538 F560 F563 A586 G592 L640 V643	P453-F588 HydrophobicContact CB-CE2 4.07Å; P453-F588 HydrophobicContact CB-CZ 4.45Å; P453-F588 HydrophobicContact CG-CE2 4.23Å; M538-F588 HydrophobicContact SD-CE1 4.02Å; F560-F588 HydrophobicContact CD2-CZ 4.31Å; F563-F588 HydrophobicContact CD2-CD1 4.03Å; F563-F588 AromaticContact CD2-CE1 3.63Å; F563-F588 HydrophobicContact CD2-CE1 3.63Å; F563-F588 HydrophobicContact CD2-CZ 4.32Å; F563-F588 HydrophobicContact CE2-CD1 4.22Å; F563-F588 HydrophobicContact CE2-CE1 4.03Å; A586-F588 PolarHBondContact O-N 3.48Å; F588-G592 PolarHBondContact O-N 3.18Å; F588-G592 VanDerWaalsContact O-N 3.07Å; F588-L640 HydrophobicContact CB-CD2 3.86Å; F588-L640 WeakPolarHBondContact O-CD2 3.49Å; F588-V643 HydrophobicContact CB-CG1 4.36Å
589	M	91.3	Very high	88.9	Confident	1 Å²	1	26.7 Å²	26.7	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-65.3	-46.3	177.5	-70.8	-65.3	-71.2	0	0	112	G449 A450 P453 M531 F560 F563 Y564 S587 F593	G449-M589 WeakPolarHBondContact O-CE 3.46Å; A450-M589 HydrophobicContact CB-CE 3.38Å; P453-M589 HydrophobicContact CG-SD 4.47Å; M531-M589 HydrophobicContact CE-SD 3.79Å; F560-M589 HydrophobicContact CE2-SD 4.21Å; F563-M589 HydrophobicContact CB-CB 4.49Å; F563-M589 HydrophobicContact CB-CG 4.09Å; F563-M589 WeakPolarHBondContact O-CB 3.47Å; Y564-M589 HydrophobicContact CD2-CE 4.46Å; S587-M589 PolarHBondContact O-N 3.39Å; S587-M589 WeakPolarHBondContact OG-CB 3.42Å; S587-M589 PolarHBondContact OG-N 3.42Å; M589-F593 VanDerWaalsContact O-CB 3.23Å; M589-F593 WeakPolarHBondContact O-CB 3.29Å; M589-F593 PolarHBondContact O-N 3.33Å
590	R	90.9	Very high	89.1	Confident	10 Å²	10	23.9 Å²	23.9	4%	0.038	12%	0.119	C	C	.	.	H	α-helix	trans	-60	-54.8	178.8	165.7	172	170.3	-178.9	-0.9	111.3	S584 S587 G592 F593 D594	S584-R590 WeakPolarHBondContact O-CD 3.49Å; S584-R590 WeakPolarHBondContact OG-CD 3.48Å; S584-R590 PolarHBondContact OG-NH1 2.91Å; S587-R590 PolarHBondContact O-N 2.81Å; R590-G592 VanDerWaalsContact C-N 3.31Å; R590-G592 PolarHBondContact O-N 3.25Å; R590-F593 PolarHBondContact O-N 2.86Å; R590-D594 WeakPolarHBondContact O-CB 3.49Å; R590-D594 PolarHBondContact O-N 2.73Å
591	W	91.7	Very high	89.4	Confident	10 Å²	10	22.5 Å²	22.5	4%	0.038	11%	0.107	C	C	.	.	H	α-helix	trans	-67.6	-34.6	-173.7	-66.5	112.8	0	0	0	112.5	Y585 S587 G595 Y631 C636 V639 L640	Y585-W591 HydrophobicContact CD1-CH2 4.43Å; Y585-W591 AromaticContact CD1-CZ2 3.78Å; Y585-W591 HydrophobicContact CD1-CZ2 3.78Å; Y585-W591 HydrophobicContact CE1-CZ2 4.33Å; Y585-W591 PolarHBondContact O-NE1 3.07Å; S587-W591 VanDerWaalsContact O-CD1 3.25Å; W591-G595 PolarHBondContact O-N 2.89Å; W591-Y631 AromaticContact CH2-CD2 3.85Å; W591-Y631 HydrophobicContact CH2-CD2 3.85Å; W591-Y631 AromaticContact CH2-CE2 3.92Å; W591-Y631 HydrophobicContact CH2-CE2 3.92Å; W591-Y631 HydrophobicContact CH2-CG 4.19Å; W591-Y631 AromaticContact CZ3-CD2 3.74Å; W591-Y631 HydrophobicContact CZ3-CD2 3.74Å; W591-Y631 HydrophobicContact CZ3-CE2 4.27Å; W591-Y631 HydrophobicContact CZ3-CG 4Å; W591-C636 HydrophobicContact CE3-CB 4.48Å; W591-V639 HydrophobicContact CD2-CB 4.18Å; W591-V639 HydrophobicContact CD2-CG1 3.92Å; W591-V639 VanDerWaalsContact CE2-CG1 3.47Å; W591-V639 HydrophobicContact CG-CB 4.37Å; W591-V639 HydrophobicContact CG-CG1 3.98Å; W591-V639 HydrophobicContact CH2-CG2 4.48Å; W591-V639 HydrophobicContact CZ2-CB 4.45Å; W591-V639 HydrophobicContact CZ2-CG1 3.92Å; W591-V639 HydrophobicContact CZ2-CG2 4.31Å; W591-V639 VanDerWaalsContact NE1-CG1 3.3Å; W591-L640 HydrophobicContact CB-CD1 4.46Å; W591-L640 HydrophobicContact CB-CD2 3.95Å; W591-L640 HydrophobicContact CB-CG 3.83Å
592	G	91.9	Very high	89.4	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.2	-46.6	172.6	0	0	0	0	0	112.8	M531 F588 R590 G595 M596	M531-G592 WeakPolarHBondContact SD-CA 3.4Å; F588-G592 PolarHBondContact O-N 3.18Å; F588-G592 VanDerWaalsContact O-N 3.07Å; R590-G592 VanDerWaalsContact C-N 3.31Å; R590-G592 PolarHBondContact O-N 3.25Å; G592-G595 PolarHBondContact O-N 3.04Å; G592-M596 WeakPolarHBondContact O-CB 3.4Å; G592-M596 VanDerWaalsContact O-CG 3.28Å; G592-M596 WeakPolarHBondContact O-CG 3.41Å; G592-M596 PolarHBondContact O-N 2.92Å
593	F	91.7	Very high	89	Confident	2 Å²	2	21.6 Å²	21.6	1%	0.009	12%	0.115	C	C	.	.	H	α-helix	trans	-63.9	-46.3	178	177.8	-118.2	0	0	0	112.8	V442 L445 Y446 G567 F569 M589 R590 G595 M596 L597 L628	V442-F593 HydrophobicContact CG1-CE2 4.16Å; V442-F593 HydrophobicContact CG1-CZ 3.67Å; L445-F593 HydrophobicContact CB-CD2 4.5Å; L445-F593 HydrophobicContact CB-CE2 4.32Å; Y446-F593 HydrophobicContact CD2-CD1 4.33Å; Y446-F593 AromaticContact CD2-CD2 3.91Å; Y446-F593 HydrophobicContact CD2-CD2 3.91Å; Y446-F593 HydrophobicContact CD2-CE1 4.49Å; Y446-F593 HydrophobicContact CD2-CE2 4.12Å; Y446-F593 HydrophobicContact CD2-CG 4.01Å; Y446-F593 HydrophobicContact CD2-CZ 4.37Å; Y446-F593 HydrophobicContact CG-CD2 4.42Å; Y446-F593 HydrophobicContact CG-CE2 4.32Å; G567-F593 WeakPolarHBondContact O-CD1 3.38Å; F569-F593 HydrophobicContact CB-CE1 3.93Å; F569-F593 HydrophobicContact CB-CZ 3.9Å; F569-F593 HydrophobicContact CD2-CZ 4.16Å; F569-F593 HydrophobicContact CG-CZ 4.42Å; M589-F593 VanDerWaalsContact O-CB 3.23Å; M589-F593 WeakPolarHBondContact O-CB 3.29Å; M589-F593 PolarHBondContact O-N 3.33Å; R590-F593 PolarHBondContact O-N 2.86Å; F593-G595 PolarHBondContact O-N 3.21Å; F593-M596 PolarHBondContact O-N 3.14Å; F593-L597 HydrophobicContact CD1-CD1 4.03Å; F593-L597 HydrophobicContact CD2-CD1 4.4Å; F593-L597 HydrophobicContact CD2-CG 4.35Å; F593-L597 HydrophobicContact CE1-CD1 3.54Å; F593-L597 HydrophobicContact CE1-CG 4.44Å; F593-L597 HydrophobicContact CE2-CD1 3.93Å; F593-L597 HydrophobicContact CE2-CD2 4.2Å; F593-L597 HydrophobicContact CE2-CG 3.98Å; F593-L597 HydrophobicContact CG-CD1 4.46Å; F593-L597 HydrophobicContact CZ-CD1 3.5Å; F593-L597 HydrophobicContact CZ-CD2 4.3Å; F593-L597 HydrophobicContact CZ-CG 4.07Å; F593-L597 WeakPolarHBondContact O-CG 3.42Å; F593-L597 PolarHBondContact O-N 3.29Å; F593-L628 HydrophobicContact CD1-CD1 4.16Å; F593-L628 HydrophobicContact CE1-CD1 3.84Å
594	D	90.8	Very high	88.7	Confident	2 Å²	2	19.4 Å²	19.4	1%	0.011	10%	0.104	C	C	.	.	H	α-helix	trans	-56.2	-51.2	174	-175.1	1.3	0	0	0	111.1	R590 M596 L597 Q598 L628	R590-D594 WeakPolarHBondContact O-CB 3.49Å; R590-D594 PolarHBondContact O-N 2.73Å; D594-M596 VanDerWaalsContact C-N 3.32Å; D594-M596 PolarHBondContact O-N 3.49Å; D594-L597 PolarHBondContact O-N 3.23Å; D594-Q598 WeakPolarHBondContact O-CG 3.44Å; D594-Q598 PolarHBondContact O-N 3.4Å; D594-Q598 PolarHBondContact OD1-NE2 3.5Å; D594-L628 HydrophobicContact CB-CD2 4.1Å
595	G	91.7	Very high	88.4	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-57.1	-43.5	176.1	0	0	0	0	0	112.9	W591 G592 F593 Q598 V599	W591-G595 PolarHBondContact O-N 2.89Å; G592-G595 PolarHBondContact O-N 3.04Å; F593-G595 PolarHBondContact O-N 3.21Å; G595-Q598 PolarHBondContact O-N 2.85Å; G595-V599 VanDerWaalsContact O-CG2 3.3Å; G595-V599 WeakPolarHBondContact O-CG2 3.3Å; G595-V599 PolarHBondContact O-N 2.83Å
596	M	91.4	Very high	88	Confident	1 Å²	1	22.4 Å²	22.4	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-64.9	-40.6	-179.8	-79.2	-171.3	-65.3	0	0	111.9	L445 F524 L527 V528 M531 G592 F593 D594 V599 Q600	L445-M596 HydrophobicContact CD2-CB 4.25Å; L445-M596 WeakPolarHBondContact O-CE 3.37Å; F524-M596 HydrophobicContact CD2-CG 3.97Å; F524-M596 HydrophobicContact CD2-SD 4.18Å; F524-M596 HydrophobicContact CE2-CG 3.99Å; F524-M596 HydrophobicContact CE2-SD 3.61Å; F524-M596 HydrophobicContact CZ-SD 4.37Å; L527-M596 HydrophobicContact CB-CG 4.17Å; L527-M596 HydrophobicContact CD1-CG 4.06Å; V528-M596 HydrophobicContact CG2-SD 4.03Å; M531-M596 HydrophobicContact CE-CE 4.16Å; M531-M596 HydrophobicContact SD-CE 3.53Å; M531-M596 VanDerWaalsContact SD-CE 3.53Å; M531-M596 HydrophobicContact SD-SD 4.34Å; G592-M596 WeakPolarHBondContact O-CB 3.4Å; G592-M596 VanDerWaalsContact O-CG 3.28Å; G592-M596 WeakPolarHBondContact O-CG 3.41Å; G592-M596 PolarHBondContact O-N 2.92Å; F593-M596 PolarHBondContact O-N 3.14Å; D594-M596 VanDerWaalsContact C-N 3.32Å; D594-M596 PolarHBondContact O-N 3.49Å; M596-V599 PolarHBondContact O-N 3.05Å; M596-Q600 WeakPolarHBondContact O-CB 3.38Å; M596-Q600 PolarHBondContact O-N 3.44Å
597	L	90.5	Very high	87.5	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-63.7	-46	174.8	-72.8	173.6	0	0	0	111.8	V442 L445 F593 D594 V599 Q600 F601 V623 M626 L628	V442-L597 HydrophobicContact CB-CD2 4.33Å; V442-L597 HydrophobicContact CG1-CD2 4.16Å; V442-L597 HydrophobicContact CG2-CD2 3.84Å; L445-L597 HydrophobicContact CD1-CD2 3.76Å; L445-L597 HydrophobicContact CD1-CG 4.45Å; F593-L597 HydrophobicContact CD1-CD1 4.03Å; F593-L597 HydrophobicContact CD2-CD1 4.4Å; F593-L597 HydrophobicContact CD2-CG 4.35Å; F593-L597 HydrophobicContact CE1-CD1 3.54Å; F593-L597 HydrophobicContact CE1-CG 4.44Å; F593-L597 HydrophobicContact CE2-CD1 3.93Å; F593-L597 HydrophobicContact CE2-CD2 4.2Å; F593-L597 HydrophobicContact CE2-CG 3.98Å; F593-L597 HydrophobicContact CG-CD1 4.46Å; F593-L597 HydrophobicContact CZ-CD1 3.5Å; F593-L597 HydrophobicContact CZ-CD2 4.3Å; F593-L597 HydrophobicContact CZ-CG 4.07Å; F593-L597 WeakPolarHBondContact O-CG 3.42Å; F593-L597 PolarHBondContact O-N 3.29Å; D594-L597 PolarHBondContact O-N 3.23Å; L597-V599 VanDerWaalsContact C-N 3.31Å; L597-V599 PolarHBondContact O-N 2.92Å; L597-Q600 PolarHBondContact O-N 3.28Å; L597-F601 HydrophobicContact CB-CD2 4.42Å; L597-F601 HydrophobicContact CD2-CD2 3.84Å; L597-F601 HydrophobicContact CD2-CE2 3.52Å; L597-F601 WeakPolarHBondContact O-CB 3.47Å; L597-F601 WeakPolarHBondContact O-CD2 3.35Å; L597-F601 PolarHBondContact O-N 3.48Å; L597-V623 HydrophobicContact CB-CG2 4.38Å; L597-M626 HydrophobicContact CD1-SD 4.39Å; L597-L628 HydrophobicContact CD1-CD1 3.36Å
598	Q	89.6	Confident	86.6	Confident	5 Å²	5	26.1 Å²	26.1	2%	0.023	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-39.7	177.5	-70.2	-172.6	35	0	0	111.9	D594 G595 R602 V623 L628 Y631 L633	D594-Q598 WeakPolarHBondContact O-CG 3.44Å; D594-Q598 PolarHBondContact O-N 3.4Å; D594-Q598 PolarHBondContact OD1-NE2 3.5Å; G595-Q598 PolarHBondContact O-N 2.85Å; Q598-R602 WeakPolarHBondContact O-CB 3.42Å; Q598-R602 PolarHBondContact O-N 3.03Å; Q598-V623 HydrophobicContact CG-CG1 4.09Å; Q598-L628 PolarHBondContact NE2-O 3.49Å; Q598-Y631 PolarHBondContact NE2-O 3.33Å; Q598-Y631 PolarHBondContact OE1-O 2.84Å; Q598-L633 HydrophobicContact CB-CD1 4.09Å; Q598-L633 VanDerWaalsContact OE1-CA 3.32Å
599	V	91.1	Very high	85.8	Confident	7 Å²	7	31.1 Å²	31.1	4%	0.042	17%	0.169	C	C	.	.	H	α-helix	trans	-67	-44.9	176.3	172.7	0	0	0	0	111.1	R520 L523 F524 L527 G595 M596 L597 L633	R520-V599 HydrophobicContact CB-CG1 3.9Å; R520-V599 WeakPolarHBondContact CD-O 3.38Å; R520-V599 HydrophobicContact CG-CG1 4.5Å; R520-V599 PolarHBondContact NH1-O 3.34Å; R520-V599 VanDerWaalsContact NH1-O 3.08Å; R520-V599 WeakPolarHBondContact O-CG1 3.39Å; L523-V599 HydrophobicContact CB-CG1 4.14Å; L523-V599 HydrophobicContact CB-CG2 3.95Å; F524-V599 HydrophobicContact CB-CG1 4.34Å; L527-V599 HydrophobicContact CD1-CG2 3.95Å; G595-V599 VanDerWaalsContact O-CG2 3.3Å; G595-V599 WeakPolarHBondContact O-CG2 3.3Å; G595-V599 PolarHBondContact O-N 2.83Å; M596-V599 PolarHBondContact O-N 3.05Å; L597-V599 VanDerWaalsContact C-N 3.31Å; L597-V599 PolarHBondContact O-N 2.92Å; V599-L633 HydrophobicContact CG2-CD1 3.68Å; V599-L633 HydrophobicContact CG2-CD2 4.02Å
600	Q	88.6	Confident	84.9	Confident	13 Å²	13	36.3 Å²	36.3	6%	0.061	20%	0.196	C	C	.	.	H	α-helix	trans	-71.1	-46.5	-175	-179.2	59.8	10.7	0	0	112.7	T441 L445 L514 N515 R520 M596 L597 N604	T441-Q600 HydrophobicContact CG2-CG 3.91Å; L445-Q600 HydrophobicContact CD1-CB 3.87Å; L445-Q600 HydrophobicContact CD1-CG 4.11Å; L514-Q600 VanDerWaalsContact CD2-CD 3.45Å; L514-Q600 HydrophobicContact CD2-CG 4.06Å; N515-Q600 VanDerWaalsContact N-OE1 3.14Å; R520-Q600 PolarHBondContact NH1-O 3.05Å; M596-Q600 WeakPolarHBondContact O-CB 3.38Å; M596-Q600 PolarHBondContact O-N 3.44Å; L597-Q600 PolarHBondContact O-N 3.28Å; Q600-N604 PolarHBondContact O-ND2 3.13Å
601	F	87	Confident	84.2	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-90.2	-25.8	-169	-74.5	-74.2	0	0	0	114.4	I438 T441 V442 L445 L597 G603 N604 Y606 V622 V623	I438-F601 HydrophobicContact CG1-CE1 4.5Å; I438-F601 HydrophobicContact CG2-CE1 3.96Å; I438-F601 HydrophobicContact CG2-CZ 4.06Å; T441-F601 HydrophobicContact CG2-CE2 4.32Å; T441-F601 HydrophobicContact CG2-CZ 3.86Å; V442-F601 HydrophobicContact CG2-CE2 3.81Å; V442-F601 HydrophobicContact CG2-CZ 3.87Å; L445-F601 HydrophobicContact CD1-CE2 4.35Å; L597-F601 HydrophobicContact CB-CD2 4.42Å; L597-F601 HydrophobicContact CD2-CD2 3.84Å; L597-F601 HydrophobicContact CD2-CE2 3.52Å; L597-F601 WeakPolarHBondContact O-CB 3.47Å; L597-F601 WeakPolarHBondContact O-CD2 3.35Å; L597-F601 PolarHBondContact O-N 3.48Å; F601-G603 PolarHBondContact O-N 3.45Å; F601-N604 PolarHBondContact O-N 3.38Å; F601-Y606 HydrophobicContact CD1-CD2 4.3Å; F601-Y606 AromaticContact CD1-CE2 3.45Å; F601-Y606 HydrophobicContact CD1-CE2 3.45Å; F601-Y606 VanDerWaalsContact CD1-CE2 3.45Å; F601-Y606 AromaticContact CD1-CZ 3.65Å; F601-Y606 HydrophobicContact CE1-CE1 4.26Å; F601-Y606 AromaticContact CE1-CE2 3.84Å; F601-Y606 HydrophobicContact CE1-CE2 3.84Å; F601-Y606 AromaticContact CE1-CZ 3.62Å; F601-V622 HydrophobicContact CZ-CG1 4.5Å; F601-V623 HydrophobicContact CB-CG2 3.81Å; F601-V623 HydrophobicContact CD2-CG2 4.29Å; F601-V623 HydrophobicContact CG-CG2 4.33Å
602	R	83.6	Confident	83.7	Confident	138 Å²	138	46.8 Å²	46.8	52%	0.521	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	117.4	-173.3	-171.6	175.7	-167.6	168.9	4.4	112	R520 Q598 I620	R520-R602 PolarHBondContact NH1-O 2.97Å; R520-R602 PolarHBondContact NH2-O 2.91Å; Q598-R602 WeakPolarHBondContact O-CB 3.42Å; Q598-R602 PolarHBondContact O-N 3.03Å; R602-I620 HydrophobicContact CB-CG1 4.39Å; R602-I620 HydrophobicContact CG-CD1 4.04Å; R602-I620 HydrophobicContact CG-CG1 4.17Å
603	G	77.4	Confident	82.8	Confident	53 Å²	53	53.8 Å²	53.8	55%	0.546	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	12	-179.6	0	0	0	0	0	114.5	F601	F601-G603 PolarHBondContact O-N 3.45Å
604	N	79.9	Confident	82.2	Confident	29 Å²	29	58.6 Å²	58.6	16%	0.155	33%	0.33	C	S	.	.			trans	-108.1	131.2	169.8	-75	-0.4	0	0	0	109.7	N515 R520 Q600 F601 Y606 G619	N515-N604 PolarHBondContact ND2-ND2 2.88Å; N515-N604 PolarHBondContact ND2-OD1 3.44Å; R520-N604 PolarHBondContact NH1-OD1 3.4Å; R520-N604 PolarHBondContact NH2-OD1 2.88Å; R520-N604 VanDerWaalsContact NH2-OD1 3.16Å; Q600-N604 PolarHBondContact O-ND2 3.13Å; F601-N604 PolarHBondContact O-N 3.38Å; N604-Y606 HydrophobicContact CB-CE2 3.73Å; N604-G619 PolarHBondContact O-N 2.99Å
605	K	80.6	Confident	81.5	Confident	137 Å²	137	63.8 Å²	63.8	60%	0.596	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	130.1	176.3	-63.3	-177.5	-178.7	-179.1	0	110.2	R435 N616 I617	R435-K605 PolarHBondContact NH1-O 3.38Å; K605-N616 HydrophobicContact CB-CB 4.46Å; K605-I617 WeakPolarHBondContact CA-O 3.25Å
606	Y	77.9	Confident	80.9	Confident	16 Å²	16	69.2 Å²	69.2	6%	0.063	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	126	179.9	-68	-92.9	0	0	0	110.1	I438 F601 N604 V608 N616 I617	I438-Y606 HydrophobicContact CD1-CD1 4.35Å; I438-Y606 HydrophobicContact CD1-CG 4.09Å; I438-Y606 HydrophobicContact CG1-CD1 3.89Å; I438-Y606 HydrophobicContact CG1-CE1 4.39Å; I438-Y606 HydrophobicContact CG1-CG 4.11Å; F601-Y606 HydrophobicContact CD1-CD2 4.3Å; F601-Y606 AromaticContact CD1-CE2 3.45Å; F601-Y606 HydrophobicContact CD1-CE2 3.45Å; F601-Y606 VanDerWaalsContact CD1-CE2 3.45Å; F601-Y606 AromaticContact CD1-CZ 3.65Å; F601-Y606 HydrophobicContact CE1-CE1 4.26Å; F601-Y606 AromaticContact CE1-CE2 3.84Å; F601-Y606 HydrophobicContact CE1-CE2 3.84Å; F601-Y606 AromaticContact CE1-CZ 3.62Å; N604-Y606 HydrophobicContact CB-CE2 3.73Å; Y606-V608 PolarHBondContact O-N 3.43Å; Y606-N616 WeakPolarHBondContact O-CA 3.41Å; Y606-I617 PolarHBondContact N-O 3.06Å; Y606-I617 PolarHBondContact O-N 3.28Å
607	P	75.7	Confident	80.3	Confident	82 Å²	82	72.1 Å²	72.1	53%	0.532	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	120.7	172.9	29.6	-31.3	0	0	0	109.2	F615 N616	P607-F615 CarbonylContact C-O 3.54Å; P607-F615 WeakPolarHBondContact CA-O 3.32Å; P607-N616 WeakPolarHBondContact CA-OD1 3.44Å
608	V	73.8	Confident	79.9	Confident	42 Å²	42	74.7 Å²	74.7	26%	0.255	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.6	174	-177.9	0	0	0	0	108.1	Y606 I610 F615 I617	Y606-V608 PolarHBondContact O-N 3.43Å; V608-I610 HydrophobicContact CG1-CG1 4.1Å; V608-F615 PolarHBondContact N-O 3.07Å; V608-F615 PolarHBondContact O-N 3.44Å; V608-I617 HydrophobicContact CB-CD1 4.01Å; V608-I617 HydrophobicContact CB-CG1 4.4Å; V608-I617 HydrophobicContact CG1-CD1 4.46Å; V608-I617 HydrophobicContact CG2-CB 4.42Å; V608-I617 HydrophobicContact CG2-CD1 3.81Å; V608-I617 HydrophobicContact CG2-CG1 4.13Å
609	T	74.6	Confident	79.3	Confident	104 Å²	104	74.5 Å²	74.5	64%	0.638	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.9	116.1	174.6	40.9	0	0	0	0	109.6	F613 T614	T609-F613 WeakPolarHBondContact CA-O 3.45Å; T609-T614 HydrophobicContact CG2-CG2 3.43Å; T609-T614 VanDerWaalsContact CG2-CG2 3.43Å
610	I	72.8	Confident	78.8	Confident	111 Å²	111	76.1 Å²	76.1	57%	0.569	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	103.1	170.4	-56.7	177.8	0	0	0	107.1	V608 N612 F613	V608-I610 HydrophobicContact CG1-CG1 4.1Å; I610-N612 PolarHBondContact O-N 2.96Å; I610-F613 PolarHBondContact N-O 3.22Å; I610-F613 PolarHBondContact O-N 3.34Å
611	G	76.1	Confident	78.4	Confident	71 Å²	71	80.7 Å²	80.7	73%	0.732	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	-126	-170.3	0	0	0	0	0	111.3
612	N	80.9	Confident	78	Confident	169 Å²	169	81.9 Å²	81.9	90%	0.904	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.3	178.9	-73.9	-4.5	0	0	0	114.2	I610	I610-N612 PolarHBondContact O-N 2.96Å
613	F	73.5	Confident	77.8	Confident	147 Å²	147	75.5 Å²	75.5	65%	0.645	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	133.8	-177.5	-67.9	-78.4	0	0	0	111.5	T609 I610 F615	T609-F613 WeakPolarHBondContact CA-O 3.45Å; I610-F613 PolarHBondContact N-O 3.22Å; I610-F613 PolarHBondContact O-N 3.34Å; F613-F615 HydrophobicContact CB-CD2 4.35Å; F613-F615 HydrophobicContact CB-CE2 3.66Å; F613-F615 HydrophobicContact CB-CZ 3.98Å
614	T	77.8	Confident	78	Confident	102 Å²	102	77.3 Å²	77.3	63%	0.626	42%	0.416	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	114.4	171.6	41.6	0	0	0	0	109.8	T609	T609-T614 HydrophobicContact CG2-CG2 3.43Å; T609-T614 VanDerWaalsContact CG2-CG2 3.43Å
615	F	77.1	Confident	78	Confident	112 Å²	112	79.9 Å²	79.9	49%	0.491	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.8	173.3	-63.7	-80.3	0	0	0	110.1	P607 V608 F613 I617	P607-F615 CarbonylContact C-O 3.54Å; P607-F615 WeakPolarHBondContact CA-O 3.32Å; V608-F615 PolarHBondContact N-O 3.07Å; V608-F615 PolarHBondContact O-N 3.44Å; F613-F615 HydrophobicContact CB-CD2 4.35Å; F613-F615 HydrophobicContact CB-CE2 3.66Å; F613-F615 HydrophobicContact CB-CZ 3.98Å; F615-I617 PolarHBondContact O-N 3.4Å
616	N	78.1	Confident	77.7	Confident	114 Å²	114	76.9 Å²	76.9	61%	0.61	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.8	103.2	172.9	-74.3	-23	0	0	0	109.4	K605 Y606 P607	K605-N616 HydrophobicContact CB-CB 4.46Å; Y606-N616 WeakPolarHBondContact O-CA 3.41Å; P607-N616 WeakPolarHBondContact CA-OD1 3.44Å
617	I	79.6	Confident	77.5	Confident	62 Å²	62	80.6 Å²	80.6	32%	0.318	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	137.3	177.4	-55.7	-176.3	0	0	0	108.5	K605 Y606 V608 F615 H621	K605-I617 WeakPolarHBondContact CA-O 3.25Å; Y606-I617 PolarHBondContact N-O 3.06Å; Y606-I617 PolarHBondContact O-N 3.28Å; V608-I617 HydrophobicContact CB-CD1 4.01Å; V608-I617 HydrophobicContact CB-CG1 4.4Å; V608-I617 HydrophobicContact CG1-CD1 4.46Å; V608-I617 HydrophobicContact CG2-CB 4.42Å; V608-I617 HydrophobicContact CG2-CD1 3.81Å; V608-I617 HydrophobicContact CG2-CG1 4.13Å; F615-I617 PolarHBondContact O-N 3.4Å; I617-H621 HydrophobicContact CG2-CB 4.1Å
618	D	81.6	Confident	77.6	Confident	55 Å²	55	76.8 Å²	76.8	29%	0.294	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	134.2	172.9	-156.8	-12.4	0	0	0	109.9	I620 H621	D618-I620 PolarHBondContact O-N 2.79Å; D618-H621 PolarHBondContact O-N 3.45Å; D618-H621 VanDerWaalsContact O-N 3.09Å
619	G	78.4	Confident	77.8	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.9	-176.9	0	0	0	0	0	113.3	N604 H621 V622	N604-G619 PolarHBondContact O-N 2.99Å; G619-H621 PolarHBondContact O-N 3.35Å; G619-V622 VanDerWaalsContact O-CB 3.26Å; G619-V622 WeakPolarHBondContact O-CB 3.36Å; G619-V622 PolarHBondContact O-N 3.14Å
620	I	80.4	Confident	77.9	Confident	42 Å²	42	78.5 Å²	78.5	22%	0.215	42%	0.422	C	S	.	.	H	α-helix	trans	-57.9	-36.1	175.9	-61.3	173.6	0	0	0	111.6	R602 D618 V622 V623 E624	R602-I620 HydrophobicContact CB-CG1 4.39Å; R602-I620 HydrophobicContact CG-CD1 4.04Å; R602-I620 HydrophobicContact CG-CG1 4.17Å; D618-I620 PolarHBondContact O-N 2.79Å; I620-V622 PolarHBondContact O-N 3.36Å; I620-V623 PolarHBondContact O-N 3.43Å; I620-E624 HydrophobicContact CG2-CG 4.27Å; I620-E624 PolarHBondContact O-N 3.36Å
621	H	80.1	Confident	78.5	Confident	109 Å²	109	77 Å²	77	51%	0.505	41%	0.41	S	S	.	.	H	α-helix	trans	-64.5	-24.8	177.8	-64.3	148.9	0	0	0	112.7	I617 D618 G619 E624 A625	I617-H621 HydrophobicContact CG2-CB 4.1Å; D618-H621 PolarHBondContact O-N 3.45Å; D618-H621 VanDerWaalsContact O-N 3.09Å; G619-H621 PolarHBondContact O-N 3.35Å; H621-E624 IonicContact CD2-OE2 3.55Å; H621-A625 VanDerWaalsContact O-CB 3.23Å; H621-A625 WeakPolarHBondContact O-CB 3.46Å; H621-A625 PolarHBondContact O-N 3.08Å
622	V	77.9	Confident	79.1	Confident	24 Å²	24	77.7 Å²	77.7	15%	0.145	40%	0.402	C	S	.	.	H	α-helix	trans	-68.4	-44.3	172.9	-178.2	0	0	0	0	110.2	I438 V442 F601 G619 I620 E624 A625 M626	I438-V622 HydrophobicContact CD1-CG2 4.07Å; I438-V622 HydrophobicContact CG2-CB 4.3Å; I438-V622 HydrophobicContact CG2-CG1 3.52Å; I438-V622 HydrophobicContact CG2-CG2 3.78Å; V442-V622 HydrophobicContact CG2-CG1 4.46Å; F601-V622 HydrophobicContact CZ-CG1 4.5Å; G619-V622 VanDerWaalsContact O-CB 3.26Å; G619-V622 WeakPolarHBondContact O-CB 3.36Å; G619-V622 PolarHBondContact O-N 3.14Å; I620-V622 PolarHBondContact O-N 3.36Å; V622-E624 VanDerWaalsContact C-N 3.35Å; V622-A625 PolarHBondContact O-N 2.94Å; V622-M626 PolarHBondContact O-N 3.11Å; V622-M626 VanDerWaalsContact O-N 3.11Å
623	V	79.6	Confident	79.4	Confident	4 Å²	4	71 Å²	71	2%	0.024	37%	0.366	C	S	.	.	H	α-helix	trans	-67.5	-38.1	178.8	-171.7	0	0	0	0	110.9	L597 Q598 F601 I620 M626 K627 L628 N629	L597-V623 HydrophobicContact CB-CG2 4.38Å; Q598-V623 HydrophobicContact CG-CG1 4.09Å; F601-V623 HydrophobicContact CB-CG2 3.81Å; F601-V623 HydrophobicContact CD2-CG2 4.29Å; F601-V623 HydrophobicContact CG-CG2 4.33Å; I620-V623 PolarHBondContact O-N 3.43Å; V623-M626 CarbonylContact O-C 3.57Å; V623-M626 PolarHBondContact O-N 3.02Å; V623-K627 PolarHBondContact O-N 3.09Å; V623-K627 VanDerWaalsContact O-N 3.11Å; V623-L628 HydrophobicContact CG1-CB 3.97Å; V623-L628 PolarHBondContact O-N 3.25Å; V623-N629 HydrophobicContact CG1-CB 4.07Å
624	E	82.4	Confident	80.2	Confident	91 Å²	91	70.7 Å²	70.7	43%	0.425	37%	0.365	S	S	.	.	H	α-helix	trans	-67.9	-39.1	173.7	-74.2	178.6	178.9	0	0	112.7	I620 H621 V622 M626 K627 N629	I620-E624 HydrophobicContact CG2-CG 4.27Å; I620-E624 PolarHBondContact O-N 3.36Å; H621-E624 IonicContact CD2-OE2 3.55Å; V622-E624 VanDerWaalsContact C-N 3.35Å; E624-M626 PolarHBondContact O-N 3.29Å; E624-K627 WeakPolarHBondContact O-CA 3.39Å; E624-K627 WeakPolarHBondContact O-CG 3.23Å; E624-K627 PolarHBondContact O-N 3.44Å; E624-N629 HydrophobicContact CG-CB 3.73Å; E624-N629 PolarHBondContact OE1-ND2 3.27Å; E624-N629 VanDerWaalsContact OE1-ND2 3.12Å
625	A	78.4	Confident	80.8	Confident	84 Å²	84	67 Å²	67	69%	0.694	34%	0.343	S	S	*	.	H	α-helix	trans	-62.3	-34.2	174.7	0	0	0	0	0	112	H621 V622 K627	H621-A625 VanDerWaalsContact O-CB 3.23Å; H621-A625 WeakPolarHBondContact O-CB 3.46Å; H621-A625 PolarHBondContact O-N 3.08Å; V622-A625 PolarHBondContact O-N 2.94Å; A625-K627 VanDerWaalsContact C-N 3.25Å
626	M	75.5	Confident	81.5	Confident	74 Å²	74	61.7 Å²	61.7	37%	0.365	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-2.2	171.7	-66.4	-175.4	173.2	0	0	113.4	V442 L597 V622 V623 E624 L628	V442-M626 HydrophobicContact CB-CE 4.39Å; V442-M626 HydrophobicContact CG1-CE 3.81Å; V442-M626 HydrophobicContact CG1-SD 3.9Å; V442-M626 HydrophobicContact CG2-CE 4.03Å; V442-M626 HydrophobicContact CG2-SD 4.29Å; L597-M626 HydrophobicContact CD1-SD 4.39Å; V622-M626 PolarHBondContact O-N 3.11Å; V622-M626 VanDerWaalsContact O-N 3.11Å; V623-M626 CarbonylContact O-C 3.57Å; V623-M626 PolarHBondContact O-N 3.02Å; E624-M626 PolarHBondContact O-N 3.29Å; M626-L628 HydrophobicContact CB-CD1 3.85Å; M626-L628 HydrophobicContact CB-CG 4.19Å; M626-L628 PolarHBondContact O-N 3.02Å
627	K	74.2	Confident	82.2	Confident	93 Å²	93	57.2 Å²	57.2	40%	0.404	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.8	28.8	-177.9	-63.7	-176.6	174.3	176	0	114.2	E574 V623 E624 A625	E574-K627 VanDerWaalsContact CD-CD 3.45Å; E574-K627 WeakPolarHBondContact OE1-CD 3.31Å; E574-K627 VanDerWaalsContact OE1-CE 3.26Å; E574-K627 WeakPolarHBondContact OE1-CE 3.09Å; E574-K627 IonicContact OE1-NZ 2.66Å; E574-K627 PolarHBondContact OE1-NZ 2.75Å; E574-K627 IonicContact OE2-NZ 3.59Å; E574-K627 PolarHBondContact OE2-NZ 3.36Å; V623-K627 PolarHBondContact O-N 3.09Å; V623-K627 VanDerWaalsContact O-N 3.11Å; E624-K627 WeakPolarHBondContact O-CA 3.39Å; E624-K627 WeakPolarHBondContact O-CG 3.23Å; E624-K627 PolarHBondContact O-N 3.44Å; A625-K627 VanDerWaalsContact C-N 3.25Å
628	L	76.5	Confident	82.9	Confident	3 Å²	3	58.7 Å²	58.7	2%	0.016	30%	0.302	C	S	.	.			trans	-91.4	-7.3	177.3	-69.6	166.7	0	0	0	111.6	L573 F593 D594 L597 Q598 V623 M626 Q630	L573-L628 HydrophobicContact CD1-CD2 3.38Å; L573-L628 HydrophobicContact CD1-CG 4.43Å; F593-L628 HydrophobicContact CD1-CD1 4.16Å; F593-L628 HydrophobicContact CE1-CD1 3.84Å; D594-L628 HydrophobicContact CB-CD2 4.1Å; L597-L628 HydrophobicContact CD1-CD1 3.36Å; Q598-L628 PolarHBondContact NE2-O 3.49Å; V623-L628 HydrophobicContact CG1-CB 3.97Å; V623-L628 PolarHBondContact O-N 3.25Å; M626-L628 HydrophobicContact CB-CD1 3.85Å; M626-L628 HydrophobicContact CB-CG 4.19Å; M626-L628 PolarHBondContact O-N 3.02Å; L628-Q630 PolarHBondContact O-N 3.18Å; L628-Q630 VanDerWaalsContact O-N 3.16Å
629	N	78.5	Confident	83.5	Confident	62 Å²	62	58.2 Å²	58.2	33%	0.332	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	17.9	175.5	-159.3	27.6	0	0	0	114.3	V623 E624 Y631	V623-N629 HydrophobicContact CG1-CB 4.07Å; E624-N629 HydrophobicContact CG-CB 3.73Å; E624-N629 PolarHBondContact OE1-ND2 3.27Å; E624-N629 VanDerWaalsContact OE1-ND2 3.12Å; N629-Y631 VanDerWaalsContact C-N 3.31Å; N629-Y631 PolarHBondContact O-N 3.06Å
630	Q	77.6	Confident	84.2	Confident	119 Å²	119	58.2 Å²	58.2	56%	0.556	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-29.6	-178.5	-73.6	-177.6	3.8	0	0	112.8	L628	L628-Q630 PolarHBondContact O-N 3.18Å; L628-Q630 VanDerWaalsContact O-N 3.16Å
631	Y	84.3	Confident	84.9	Confident	79 Å²	79	59.9 Å²	59.9	31%	0.31	31%	0.313	S	S	.	.	S	Bend	trans	-121.1	142.2	-174.1	-62.9	-77.9	0	0	0	110.8	W591 Q598 N629 S635	W591-Y631 AromaticContact CH2-CD2 3.85Å; W591-Y631 HydrophobicContact CH2-CD2 3.85Å; W591-Y631 AromaticContact CH2-CE2 3.92Å; W591-Y631 HydrophobicContact CH2-CE2 3.92Å; W591-Y631 HydrophobicContact CH2-CG 4.19Å; W591-Y631 AromaticContact CZ3-CD2 3.74Å; W591-Y631 HydrophobicContact CZ3-CD2 3.74Å; W591-Y631 HydrophobicContact CZ3-CE2 4.27Å; W591-Y631 HydrophobicContact CZ3-CG 4Å; Q598-Y631 PolarHBondContact NE2-O 3.33Å; Q598-Y631 PolarHBondContact OE1-O 2.84Å; N629-Y631 VanDerWaalsContact C-N 3.31Å; N629-Y631 PolarHBondContact O-N 3.06Å; Y631-S635 WeakPolarHBondContact CB-OG 3.47Å
632	P	88.3	Confident	85.6	Confident	87 Å²	87	57.6 Å²	57.6	57%	0.565	31%	0.313	S	S	*	.			trans	-70.1	144.6	178.4	29	-34.5	0	0	0	111	F634 S635	P632-F634 VanDerWaalsContact C-N 3.27Å; P632-F634 PolarHBondContact O-N 3.29Å; P632-S635 WeakPolarHBondContact CD-OG 3.42Å; P632-S635 WeakPolarHBondContact O-CB 3.46Å; P632-S635 PolarHBondContact O-N 3.13Å; P632-S635 PolarHBondContact O-OG 2.91Å
633	L	87.6	Confident	86.4	Confident	28 Å²	28	57.5 Å²	57.5	15%	0.147	31%	0.313	C	S	.	.	H	α-helix	trans	-40.8	-46	-179.3	179.9	63.8	0	0	0	115.7	L523 Q598 V599 S635 C636 Y637	L523-L633 HydrophobicContact CD1-CD2 4.31Å; Q598-L633 HydrophobicContact CB-CD1 4.09Å; Q598-L633 VanDerWaalsContact OE1-CA 3.32Å; V599-L633 HydrophobicContact CG2-CD1 3.68Å; V599-L633 HydrophobicContact CG2-CD2 4.02Å; L633-S635 VanDerWaalsContact C-N 3.27Å; L633-S635 PolarHBondContact O-N 3.43Å; L633-C636 WeakPolarHBondContact O-CB 3.49Å; L633-C636 PolarHBondContact O-N 3.3Å; L633-Y637 HydrophobicContact CD1-CE2 3.82Å; L633-Y637 HydrophobicContact CG-CD2 4.49Å; L633-Y637 HydrophobicContact CG-CE2 3.89Å; L633-Y637 VanDerWaalsContact O-CD2 3.29Å; L633-Y637 WeakPolarHBondContact O-CD2 3.46Å
634	F	90.4	Very high	87.1	Confident	141 Å²	141	57.6 Å²	57.6	62%	0.618	31%	0.313	S	S	*	.	H	α-helix	trans	-62.3	-32.4	-179.4	173.4	-108.8	0	0	0	113.3	P632 C636 Y637 L638	P632-F634 VanDerWaalsContact C-N 3.27Å; P632-F634 PolarHBondContact O-N 3.29Å; F634-C636 VanDerWaalsContact C-N 3.3Å; F634-C636 PolarHBondContact O-N 2.95Å; F634-Y637 PolarHBondContact O-N 3.43Å; F634-L638 HydrophobicContact CD1-CD1 3.85Å; F634-L638 HydrophobicContact CD1-CG 4.17Å; F634-L638 HydrophobicContact CE1-CD1 3.16Å; F634-L638 HydrophobicContact CE1-CD2 4.22Å; F634-L638 HydrophobicContact CE1-CG 3.64Å; F634-L638 HydrophobicContact CE2-CD1 4.45Å; F634-L638 HydrophobicContact CE2-CD2 4.11Å; F634-L638 HydrophobicContact CE2-CG 4.04Å; F634-L638 HydrophobicContact CZ-CD1 3.52Å; F634-L638 HydrophobicContact CZ-CD2 3.66Å; F634-L638 HydrophobicContact CZ-CG 3.55Å; F634-L638 PolarHBondContact O-N 3.28Å; F634-L638 VanDerWaalsContact O-N 3.12Å
635	S	91.5	Very high	87.7	Confident	24 Å²	24	60.1 Å²	60.1	17%	0.168	32%	0.323	C	S	.	.	H	α-helix	trans	-65.9	-34.1	177.3	67.8	0	0	0	0	112	Y631 P632 L633 Y637 L638 V639	Y631-S635 WeakPolarHBondContact CB-OG 3.47Å; P632-S635 WeakPolarHBondContact CD-OG 3.42Å; P632-S635 WeakPolarHBondContact O-CB 3.46Å; P632-S635 PolarHBondContact O-N 3.13Å; P632-S635 PolarHBondContact O-OG 2.91Å; L633-S635 VanDerWaalsContact C-N 3.27Å; L633-S635 PolarHBondContact O-N 3.43Å; S635-Y637 VanDerWaalsContact C-N 3.32Å; S635-Y637 PolarHBondContact O-N 3.07Å; S635-L638 PolarHBondContact O-N 3.41Å; S635-V639 VanDerWaalsContact O-CG2 3.27Å; S635-V639 WeakPolarHBondContact O-CG2 3.38Å; S635-V639 PolarHBondContact O-N 3.41Å
636	C	90.6	Very high	88.5	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-42.7	175.5	-55.6	0	0	0	0	111.3	W591 L633 F634 L640	W591-C636 HydrophobicContact CE3-CB 4.48Å; L633-C636 WeakPolarHBondContact O-CB 3.49Å; L633-C636 PolarHBondContact O-N 3.3Å; F634-C636 VanDerWaalsContact C-N 3.3Å; F634-C636 PolarHBondContact O-N 2.95Å; C636-L640 WeakPolarHBondContact O-CB 3.45Å; C636-L640 VanDerWaalsContact O-CG 3.27Å; C636-L640 WeakPolarHBondContact O-CG 3.38Å; C636-L640 PolarHBondContact O-N 3.16Å
637	Y	93.6	Very high	89.4	Confident	21 Å²	21	55.4 Å²	55.4	8%	0.082	30%	0.295	C	S	.	.	H	α-helix	trans	-64.4	-46.3	174.9	-69.8	-86.2	0	0	0	112.5	L523 L526 L527 L530 L633 F634 S635 V639 L640 V641	L523-Y637 VanDerWaalsContact C-OH 3.25Å; L523-Y637 WeakPolarHBondContact CA-OH 3.15Å; L523-Y637 VanDerWaalsContact CB-OH 3.28Å; L523-Y637 WeakPolarHBondContact CB-OH 3.38Å; L523-Y637 HydrophobicContact CD2-CE2 4.25Å; L523-Y637 WeakPolarHBondContact CD2-OH 3.02Å; L523-Y637 PolarHBondContact O-OH 3.09Å; L526-Y637 HydrophobicContact CB-CE1 4.03Å; L526-Y637 HydrophobicContact CD2-CD1 3.87Å; L526-Y637 HydrophobicContact CD2-CE1 3.63Å; L526-Y637 HydrophobicContact CG-CD1 4.08Å; L526-Y637 HydrophobicContact CG-CE1 3.73Å; L527-Y637 HydrophobicContact CD1-CE1 4.46Å; L527-Y637 WeakPolarHBondContact CD1-OH 3.4Å; L527-Y637 HydrophobicContact CD2-CD1 3.95Å; L527-Y637 HydrophobicContact CD2-CD2 4.47Å; L527-Y637 HydrophobicContact CD2-CE1 3.55Å; L527-Y637 HydrophobicContact CD2-CE2 4.12Å; L527-Y637 HydrophobicContact CD2-CG 4.39Å; L527-Y637 HydrophobicContact CG-CD1 4.38Å; L527-Y637 HydrophobicContact CG-CE1 3.51Å; L527-Y637 HydrophobicContact CG-CE2 4.32Å; L527-Y637 VanDerWaalsContact CG-CZ 3.48Å; L527-Y637 WeakPolarHBondContact CG-OH 3.36Å; L530-Y637 HydrophobicContact CD1-CD1 3.7Å; L530-Y637 HydrophobicContact CD1-CE1 4.46Å; L633-Y637 HydrophobicContact CD1-CE2 3.82Å; L633-Y637 HydrophobicContact CG-CD2 4.49Å; L633-Y637 HydrophobicContact CG-CE2 3.89Å; L633-Y637 VanDerWaalsContact O-CD2 3.29Å; L633-Y637 WeakPolarHBondContact O-CD2 3.46Å; F634-Y637 PolarHBondContact O-N 3.43Å; S635-Y637 VanDerWaalsContact C-N 3.32Å; S635-Y637 PolarHBondContact O-N 3.07Å; Y637-V639 VanDerWaalsContact C-N 3.33Å; Y637-V639 PolarHBondContact O-N 2.6Å; Y637-L640 PolarHBondContact O-N 3.03Å; Y637-V641 WeakPolarHBondContact O-CG2 3.24Å; Y637-V641 PolarHBondContact O-N 3.26Å
638	L	94.4	Very high	90.4	Very high	93 Å²	93	51.8 Å²	51.8	49%	0.487	28%	0.279	S	S	.	.	H	α-helix	trans	-61.5	-42.8	179.4	-75.2	-172.8	0	0	0	112	F634 S635 V641 A642	F634-L638 HydrophobicContact CD1-CD1 3.85Å; F634-L638 HydrophobicContact CD1-CG 4.17Å; F634-L638 HydrophobicContact CE1-CD1 3.16Å; F634-L638 HydrophobicContact CE1-CD2 4.22Å; F634-L638 HydrophobicContact CE1-CG 3.64Å; F634-L638 HydrophobicContact CE2-CD1 4.45Å; F634-L638 HydrophobicContact CE2-CD2 4.11Å; F634-L638 HydrophobicContact CE2-CG 4.04Å; F634-L638 HydrophobicContact CZ-CD1 3.52Å; F634-L638 HydrophobicContact CZ-CD2 3.66Å; F634-L638 HydrophobicContact CZ-CG 3.55Å; F634-L638 PolarHBondContact O-N 3.28Å; F634-L638 VanDerWaalsContact O-N 3.12Å; S635-L638 PolarHBondContact O-N 3.41Å; L638-V641 PolarHBondContact O-N 3.44Å; L638-A642 WeakPolarHBondContact O-CB 3.15Å; L638-A642 PolarHBondContact O-N 3.2Å
639	V	93.8	Very high	91.2	Very high	44 Å²	44	54.7 Å²	54.7	27%	0.267	30%	0.297	S	S	.	.	H	α-helix	trans	-68.1	-40.9	178.8	179.2	0	0	0	0	110.6	W591 S635 Y637 V641 A642 V643	W591-V639 HydrophobicContact CD2-CB 4.18Å; W591-V639 HydrophobicContact CD2-CG1 3.92Å; W591-V639 VanDerWaalsContact CE2-CG1 3.47Å; W591-V639 HydrophobicContact CG-CB 4.37Å; W591-V639 HydrophobicContact CG-CG1 3.98Å; W591-V639 HydrophobicContact CH2-CG2 4.48Å; W591-V639 HydrophobicContact CZ2-CB 4.45Å; W591-V639 HydrophobicContact CZ2-CG1 3.92Å; W591-V639 HydrophobicContact CZ2-CG2 4.31Å; W591-V639 VanDerWaalsContact NE1-CG1 3.3Å; S635-V639 VanDerWaalsContact O-CG2 3.27Å; S635-V639 WeakPolarHBondContact O-CG2 3.38Å; S635-V639 PolarHBondContact O-N 3.41Å; Y637-V639 VanDerWaalsContact C-N 3.33Å; Y637-V639 PolarHBondContact O-N 2.6Å; V639-V641 PolarHBondContact O-N 2.92Å; V639-A642 WeakPolarHBondContact O-CB 3.34Å; V639-A642 PolarHBondContact O-N 3.5Å; V639-A642 VanDerWaalsContact O-N 3.17Å; V639-V643 HydrophobicContact CG1-CG2 4.23Å; V639-V643 WeakPolarHBondContact O-CG2 3.4Å; V639-V643 PolarHBondContact O-N 3.11Å
640	L	93.1	Very high	92	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-57.8	-47.1	173.3	-78.8	167.8	0	0	0	111.9	L527 L530 F588 W591 C636 Y637 A642 V643 C644	L527-L640 HydrophobicContact CD2-CD1 3.74Å; L530-L640 HydrophobicContact CB-CB 4.27Å; L530-L640 HydrophobicContact CB-CD1 4.26Å; L530-L640 HydrophobicContact CD1-CB 4.28Å; L530-L640 HydrophobicContact CD1-CD1 4.48Å; F588-L640 HydrophobicContact CB-CD2 3.86Å; F588-L640 WeakPolarHBondContact O-CD2 3.49Å; W591-L640 HydrophobicContact CB-CD1 4.46Å; W591-L640 HydrophobicContact CB-CD2 3.95Å; W591-L640 HydrophobicContact CB-CG 3.83Å; C636-L640 WeakPolarHBondContact O-CB 3.45Å; C636-L640 VanDerWaalsContact O-CG 3.27Å; C636-L640 WeakPolarHBondContact O-CG 3.38Å; C636-L640 PolarHBondContact O-N 3.16Å; Y637-L640 PolarHBondContact O-N 3.03Å; L640-A642 VanDerWaalsContact C-N 3.3Å; L640-A642 PolarHBondContact O-N 3.28Å; L640-V643 PolarHBondContact O-N 2.76Å; L640-C644 PolarHBondContact O-N 3.02Å; L640-C644 PolarHBondContact O-SG 2.85Å
641	V	95.3	Very high	92.8	Very high	78 Å²	78	49.7 Å²	49.7	47%	0.473	27%	0.274	S	S	.	.	H	α-helix	trans	-61	-41	176.1	171.8	0	0	0	0	111	L530 Y637 L638 V639 C644 F645	L530-V641 HydrophobicContact CD1-CG2 4.22Å; L530-V641 HydrophobicContact CD2-CG2 3.77Å; Y637-V641 WeakPolarHBondContact O-CG2 3.24Å; Y637-V641 PolarHBondContact O-N 3.26Å; L638-V641 PolarHBondContact O-N 3.44Å; V639-V641 PolarHBondContact O-N 2.92Å; V641-C644 PolarHBondContact O-N 3.22Å; V641-F645 WeakPolarHBondContact O-CB 2.91Å; V641-F645 PolarHBondContact O-N 3.32Å
642	A	95.3	Very high	93.3	Very high	61 Å²	61	48.8 Å²	48.8	50%	0.504	27%	0.27	S	S	.	.	H	α-helix	trans	-65.5	-40.7	177.4	0	0	0	0	0	112.6	L638 V639 L640 F645 G646	L638-A642 WeakPolarHBondContact O-CB 3.15Å; L638-A642 PolarHBondContact O-N 3.2Å; V639-A642 WeakPolarHBondContact O-CB 3.34Å; V639-A642 PolarHBondContact O-N 3.5Å; V639-A642 VanDerWaalsContact O-N 3.17Å; L640-A642 VanDerWaalsContact C-N 3.3Å; L640-A642 PolarHBondContact O-N 3.28Å; A642-F645 PolarHBondContact O-N 3.25Å; A642-G646 PolarHBondContact O-N 3.02Å
643	V	93.6	Very high	93.5	Very high	21 Å²	21	47.7 Å²	47.7	13%	0.127	26%	0.261	C	S	.	.	H	α-helix	trans	-64.1	-47.1	175.6	169.6	0	0	0	0	110.5	F588 V639 L640 F645 G646 F647	F588-V643 HydrophobicContact CB-CG1 4.36Å; V639-V643 HydrophobicContact CG1-CG2 4.23Å; V639-V643 WeakPolarHBondContact O-CG2 3.4Å; V639-V643 PolarHBondContact O-N 3.11Å; L640-V643 PolarHBondContact O-N 2.76Å; V643-F645 VanDerWaalsContact C-N 3.34Å; V643-F645 PolarHBondContact O-N 3.48Å; V643-G646 PolarHBondContact O-N 3.38Å; V643-F647 HydrophobicContact CG1-CD2 3.89Å; V643-F647 HydrophobicContact CG1-CE2 3.53Å; V643-F647 VanDerWaalsContact O-CD2 3.31Å; V643-F647 WeakPolarHBondContact O-CD2 3.47Å; V643-F647 PolarHBondContact O-N 3.23Å; V643-F647 VanDerWaalsContact O-N 3.09Å
644	C	93.9	Very high	93.7	Very high	6 Å²	6	46.9 Å²	46.9	4%	0.041	26%	0.258	C	S	.	.	H	α-helix	trans	-56	-49.7	173.7	-68	0	0	0	0	110.7	Y533 G534 L640 V641 G646 F647 M648	Y533-C644 HydrophobicContact CD1-CB 4.13Å; Y533-C644 HydrophobicContact CE1-CB 4.47Å; G534-C644 WeakPolarHBondContact CA-SG 3.26Å; L640-C644 PolarHBondContact O-N 3.02Å; L640-C644 PolarHBondContact O-SG 2.85Å; V641-C644 PolarHBondContact O-N 3.22Å; C644-G646 VanDerWaalsContact C-N 3.31Å; C644-G646 PolarHBondContact O-N 3.49Å; C644-F647 PolarHBondContact O-N 3.12Å; C644-M648 WeakPolarHBondContact O-CG 3.36Å; C644-M648 PolarHBondContact O-N 3.41Å
645	F	94.7	Very high	93.5	Very high	144 Å²	144	40.9 Å²	40.9	63%	0.632	23%	0.232	S	C	*	.	H	α-helix	trans	-59.5	-40.8	177.7	-176.3	-101	0	0	0	112.4	V641 A642 V643 M648 V649	V641-F645 WeakPolarHBondContact O-CB 2.91Å; V641-F645 PolarHBondContact O-N 3.32Å; A642-F645 PolarHBondContact O-N 3.25Å; V643-F645 VanDerWaalsContact C-N 3.34Å; V643-F645 PolarHBondContact O-N 3.48Å; F645-M648 PolarHBondContact O-N 2.88Å; F645-V649 HydrophobicContact CD1-CG2 4.04Å; F645-V649 HydrophobicContact CE1-CG2 3.61Å; F645-V649 HydrophobicContact CE2-CG2 4.28Å; F645-V649 HydrophobicContact CZ-CG2 3.74Å; F645-V649 WeakPolarHBondContact O-CG2 3.43Å; F645-V649 PolarHBondContact O-N 2.85Å
646	G	95.1	Very high	93.4	Very high	33 Å²	33	45.2 Å²	45.2	34%	0.34	25%	0.248	S	C	.	.	H	α-helix	trans	-57.5	-49.6	176	0	0	0	0	0	112.8	A642 V643 C644 M648 V649 L650	A642-G646 PolarHBondContact O-N 3.02Å; V643-G646 PolarHBondContact O-N 3.38Å; C644-G646 VanDerWaalsContact C-N 3.31Å; C644-G646 PolarHBondContact O-N 3.49Å; G646-M648 VanDerWaalsContact C-N 3.29Å; G646-M648 PolarHBondContact O-N 2.93Å; G646-V649 PolarHBondContact O-N 3.03Å; G646-L650 WeakPolarHBondContact O-CG 3.48Å; G646-L650 PolarHBondContact O-N 2.99Å
647	F	94.9	Very high	93.1	Very high	27 Å²	27	52.3 Å²	52.3	12%	0.118	28%	0.279	C	S	.	.	H	α-helix	trans	-63.5	-35.3	176.1	-73	-58.7	0	0	0	112.8	A537 M538 F541 F563 V643 C644 L650 Y651	A537-F647 HydrophobicContact CB-CB 3.8Å; M538-F647 HydrophobicContact CB-CD1 4.3Å; M538-F647 HydrophobicContact CB-CD2 4.25Å; M538-F647 HydrophobicContact CB-CE1 4.3Å; M538-F647 HydrophobicContact CB-CE2 4.22Å; M538-F647 HydrophobicContact CB-CG 4.3Å; M538-F647 HydrophobicContact CB-CZ 4.26Å; M538-F647 HydrophobicContact CG-CD1 4.43Å; M538-F647 HydrophobicContact CG-CE1 4.05Å; M538-F647 HydrophobicContact CG-CZ 4.12Å; F541-F647 HydrophobicContact CD1-CD1 4.1Å; F541-F647 HydrophobicContact CD1-CE1 4.44Å; F563-F647 HydrophobicContact CE2-CE2 4.49Å; F563-F647 AromaticContact CE2-CZ 3.98Å; F563-F647 HydrophobicContact CE2-CZ 3.98Å; F563-F647 HydrophobicContact CZ-CZ 4.13Å; V643-F647 HydrophobicContact CG1-CD2 3.89Å; V643-F647 HydrophobicContact CG1-CE2 3.53Å; V643-F647 VanDerWaalsContact O-CD2 3.31Å; V643-F647 WeakPolarHBondContact O-CD2 3.47Å; V643-F647 PolarHBondContact O-N 3.23Å; V643-F647 VanDerWaalsContact O-N 3.09Å; C644-F647 PolarHBondContact O-N 3.12Å; F647-L650 HydrophobicContact CD1-CD1 4.31Å; F647-L650 PolarHBondContact O-N 3.38Å; F647-Y651 WeakPolarHBondContact O-CB 3.26Å; F647-Y651 PolarHBondContact O-N 2.77Å
648	M	94.5	Very high	92.4	Very high	17 Å²	17	54 Å²	54	8%	0.084	29%	0.289	C	S	.	.	H	α-helix	trans	-69	-38.2	178.1	-64.5	-68.9	-79.9	0	0	112.3	F486 V490 Y533 A537 C644 F645 G646 Y651 Y652	F486-M648 WeakPolarHBondContact CE2-O 3.26Å; F486-M648 HydrophobicContact CZ-CB 4.36Å; F486-M648 HydrophobicContact CZ-CE 4.27Å; V490-M648 HydrophobicContact CB-CE 3.81Å; V490-M648 HydrophobicContact CG1-CE 3.23Å; V490-M648 HydrophobicContact CG2-CE 3.2Å; V490-M648 HydrophobicContact CG2-SD 4.45Å; Y533-M648 WeakPolarHBondContact OH-CE 3.37Å; A537-M648 HydrophobicContact CB-CG 4Å; A537-M648 HydrophobicContact CB-SD 3.81Å; C644-M648 WeakPolarHBondContact O-CG 3.36Å; C644-M648 PolarHBondContact O-N 3.41Å; F645-M648 PolarHBondContact O-N 2.88Å; G646-M648 VanDerWaalsContact C-N 3.29Å; G646-M648 PolarHBondContact O-N 2.93Å; M648-Y651 PolarHBondContact O-N 3.36Å; M648-Y652 PolarHBondContact O-N 3.49Å
649	V	95.4	Very high	91	Very high	63 Å²	63	58.9 Å²	58.9	38%	0.382	31%	0.306	S	S	.	.	H	α-helix	trans	-63.9	-43.6	172.1	171.6	0	0	0	0	110.3	F645 G646 Y651 Y652 V653	F645-V649 HydrophobicContact CD1-CG2 4.04Å; F645-V649 HydrophobicContact CE1-CG2 3.61Å; F645-V649 HydrophobicContact CE2-CG2 4.28Å; F645-V649 HydrophobicContact CZ-CG2 3.74Å; F645-V649 WeakPolarHBondContact O-CG2 3.43Å; F645-V649 PolarHBondContact O-N 2.85Å; G646-V649 PolarHBondContact O-N 3.03Å; V649-Y651 PolarHBondContact O-N 2.77Å; V649-Y652 PolarHBondContact O-N 2.87Å; V649-V653 HydrophobicContact CG1-CG2 4.4Å; V649-V653 VanDerWaalsContact O-CG2 3.3Å; V649-V653 WeakPolarHBondContact O-CG2 3.36Å; V649-V653 PolarHBondContact O-N 3.39Å
650	L	94.6	Very high	89.6	Confident	76 Å²	76	57.1 Å²	57.1	40%	0.398	30%	0.295	S	S	.	.	H	α-helix	trans	-60.6	-44.5	175.5	-69.6	172.3	0	0	0	111.6	F541 G646 F647 Y652 V653 C654	F541-L650 HydrophobicContact CD2-CB 3.47Å; F541-L650 VanDerWaalsContact CD2-CB 3.47Å; F541-L650 HydrophobicContact CD2-CD1 4.4Å; F541-L650 HydrophobicContact CD2-CG 4.49Å; F541-L650 HydrophobicContact CE1-CD1 4.5Å; F541-L650 HydrophobicContact CE2-CB 3.82Å; F541-L650 HydrophobicContact CE2-CD1 4.27Å; F541-L650 HydrophobicContact CE2-CG 4.47Å; F541-L650 HydrophobicContact CG-CB 4.04Å; F541-L650 HydrophobicContact CZ-CD1 4.32Å; G646-L650 WeakPolarHBondContact O-CG 3.48Å; G646-L650 PolarHBondContact O-N 2.99Å; F647-L650 HydrophobicContact CD1-CD1 4.31Å; F647-L650 PolarHBondContact O-N 3.38Å; L650-Y652 PolarHBondContact O-N 3.23Å; L650-V653 PolarHBondContact O-N 3.14Å; L650-C654 WeakPolarHBondContact O-CB 3.48Å; L650-C654 PolarHBondContact O-N 2.99Å; L650-C654 PolarHBondContact O-SG 3Å
651	Y	93.9	Very high	88	Confident	1 Å²	1	59.6 Å²	59.6	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-57.2	-46.1	174.3	174.8	-124.9	0	0	0	112	F486 L540 A544 F647 M648 V649 V653 C654 L655	F486-Y651 AromaticContact CD2-CD1 3.62Å; F486-Y651 HydrophobicContact CD2-CD1 3.62Å; F486-Y651 AromaticContact CD2-CE1 3.77Å; F486-Y651 HydrophobicContact CD2-CE1 3.77Å; F486-Y651 AromaticContact CE2-CD1 3.55Å; F486-Y651 HydrophobicContact CE2-CD1 3.55Å; F486-Y651 HydrophobicContact CE2-CE1 4.13Å; L540-Y651 HydrophobicContact CB-CD1 4.34Å; L540-Y651 HydrophobicContact CB-CD2 3.97Å; L540-Y651 HydrophobicContact CB-CE2 4.13Å; L540-Y651 HydrophobicContact CB-CG 4.1Å; L540-Y651 HydrophobicContact CD1-CE1 4.47Å; L540-Y651 WeakPolarHBondContact O-CD2 3.1Å; A544-Y651 HydrophobicContact CB-CD2 3.51Å; A544-Y651 HydrophobicContact CB-CE2 3.68Å; F647-Y651 WeakPolarHBondContact O-CB 3.26Å; F647-Y651 PolarHBondContact O-N 2.77Å; M648-Y651 PolarHBondContact O-N 3.36Å; V649-Y651 PolarHBondContact O-N 2.77Å; Y651-V653 PolarHBondContact O-N 3.49Å; Y651-C654 PolarHBondContact O-N 3.05Å; Y651-L655 HydrophobicContact CD1-CD1 4.38Å; Y651-L655 HydrophobicContact CD2-CD1 4.39Å; Y651-L655 HydrophobicContact CD2-CG 4.27Å; Y651-L655 HydrophobicContact CE1-CD1 3.79Å; Y651-L655 HydrophobicContact CE2-CD1 3.85Å; Y651-L655 HydrophobicContact CE2-CD2 4.15Å; Y651-L655 HydrophobicContact CE2-CG 3.89Å; Y651-L655 VanDerWaalsContact CZ-CD1 3.49Å; Y651-L655 WeakPolarHBondContact O-CG 3.45Å; Y651-L655 PolarHBondContact O-N 3.21Å
652	Y	94.2	Very high	85.7	Confident	60 Å²	60	56.9 Å²	56.9	24%	0.235	29%	0.291	C	S	.	.	H	α-helix	trans	-62	-43	176.5	176.9	-102.4	0	0	0	112.8	T483 F486 M648 V649 L650 L655 K656	T483-Y652 HydrophobicContact CG2-CE2 3.63Å; T483-Y652 WeakPolarHBondContact CG2-OH 3.41Å; F486-Y652 HydrophobicContact CB-CD2 4.1Å; F486-Y652 HydrophobicContact CD1-CD2 4.26Å; F486-Y652 HydrophobicContact CD2-CD2 4.1Å; F486-Y652 AromaticContact CG-CD2 3.9Å; F486-Y652 HydrophobicContact CG-CD2 3.9Å; M648-Y652 PolarHBondContact O-N 3.49Å; V649-Y652 PolarHBondContact O-N 2.87Å; L650-Y652 PolarHBondContact O-N 3.23Å; Y652-L655 PolarHBondContact O-N 3.32Å; Y652-K656 HydrophobicContact CE1-CD 4.11Å; Y652-K656 WeakPolarHBondContact O-CB 3.33Å; Y652-K656 PolarHBondContact O-N 3.03Å
653	V	93.4	Very high	83.5	Confident	63 Å²	63	57 Å²	57	38%	0.382	29%	0.288	S	S	.	.	H	α-helix	trans	-62.9	-44.4	177	170.3	0	0	0	0	110.3	V649 L650 Y651 K656 F657	V649-V653 HydrophobicContact CG1-CG2 4.4Å; V649-V653 VanDerWaalsContact O-CG2 3.3Å; V649-V653 WeakPolarHBondContact O-CG2 3.36Å; V649-V653 PolarHBondContact O-N 3.39Å; L650-V653 PolarHBondContact O-N 3.14Å; Y651-V653 PolarHBondContact O-N 3.49Å; V653-K656 PolarHBondContact O-N 3.4Å; V653-F657 HydrophobicContact CG1-CD2 3.84Å; V653-F657 HydrophobicContact CG1-CE2 4.38Å; V653-F657 WeakPolarHBondContact O-CD2 2.95Å; V653-F657 PolarHBondContact O-N 3.3Å
654	C	90.8	Very high	81.3	Confident	11 Å²	11	57.3 Å²	57.3	7%	0.074	29%	0.288	C	S	.	.	H	α-helix	trans	-57.9	-51.4	175.5	-70.4	0	0	0	0	111.2	A544 L650 Y651 K656 F657 I658	A544-C654 HydrophobicContact CB-CB 3.78Å; L650-C654 WeakPolarHBondContact O-CB 3.48Å; L650-C654 PolarHBondContact O-N 2.99Å; L650-C654 PolarHBondContact O-SG 3Å; Y651-C654 PolarHBondContact O-N 3.05Å; C654-K656 PolarHBondContact O-N 2.97Å; C654-F657 PolarHBondContact O-N 3.12Å; C654-I658 HydrophobicContact CB-CD1 3.9Å; C654-I658 WeakPolarHBondContact O-CA 3.49Å; C654-I658 WeakPolarHBondContact O-CB 3.47Å; C654-I658 PolarHBondContact O-N 3.02Å
655	L	87.6	Confident	78.7	Confident	15 Å²	15	59.6 Å²	59.6	8%	0.079	30%	0.3	C	S	.	.	H	α-helix	trans	-59.6	-32.7	178.5	-73.3	179.2	0	0	0	114	L471 V482 Y485 F486 A544 Y651 Y652	L471-L655 HydrophobicContact CD2-CD2 4.07Å; V482-L655 HydrophobicContact CG1-CB 3.85Å; Y485-L655 HydrophobicContact CD1-CD1 4.32Å; Y485-L655 HydrophobicContact CE1-CD1 4.43Å; F486-L655 HydrophobicContact CD2-CD1 4.49Å; A544-L655 HydrophobicContact CB-CD2 4.39Å; Y651-L655 HydrophobicContact CD1-CD1 4.38Å; Y651-L655 HydrophobicContact CD2-CD1 4.39Å; Y651-L655 HydrophobicContact CD2-CG 4.27Å; Y651-L655 HydrophobicContact CE1-CD1 3.79Å; Y651-L655 HydrophobicContact CE2-CD1 3.85Å; Y651-L655 HydrophobicContact CE2-CD2 4.15Å; Y651-L655 HydrophobicContact CE2-CG 3.89Å; Y651-L655 VanDerWaalsContact CZ-CD1 3.49Å; Y651-L655 WeakPolarHBondContact O-CG 3.45Å; Y651-L655 PolarHBondContact O-N 3.21Å; Y652-L655 PolarHBondContact O-N 3.32Å
656	K	87.8	Confident	75.8	Confident	115 Å²	115	64.4 Å²	64.4	50%	0.5	31%	0.314	S	S	.	.	H	α-helix	trans	-82.3	-38.3	-176.4	-172.1	173.2	-175.7	173.1	0	113.2	Y652 V653 C654	Y652-K656 HydrophobicContact CE1-CD 4.11Å; Y652-K656 WeakPolarHBondContact O-CB 3.33Å; Y652-K656 PolarHBondContact O-N 3.03Å; V653-K656 PolarHBondContact O-N 3.4Å; C654-K656 PolarHBondContact O-N 2.97Å
657	F	84.9	Confident	74.8	Confident	149 Å²	149	66 Å²	66	65%	0.654	31%	0.312	S	S	*	.	H	α-helix	trans	-107.9	-29	-170.6	-68.1	-73.5	0	0	0	113.7	V653 C654 K659	V653-F657 HydrophobicContact CG1-CD2 3.84Å; V653-F657 HydrophobicContact CG1-CE2 4.38Å; V653-F657 WeakPolarHBondContact O-CD2 2.95Å; V653-F657 PolarHBondContact O-N 3.3Å; C654-F657 PolarHBondContact O-N 3.12Å; F657-K659 PolarHBondContact O-N 3.41Å
658	I	78.3	Confident	73.7	Confident	58 Å²	58	68.1 Å²	68.1	30%	0.297	32%	0.323	S	S	.	.			trans	-90.7	105	-179.5	-53.1	178.7	0	0	0	107.9	Y472 C654 Q660	Y472-I658 PolarHBondContact OH-O 3.44Å; C654-I658 HydrophobicContact CB-CD1 3.9Å; C654-I658 WeakPolarHBondContact O-CA 3.49Å; C654-I658 WeakPolarHBondContact O-CB 3.47Å; C654-I658 PolarHBondContact O-N 3.02Å; I658-Q660 HydrophobicContact CG2-CG 4.05Å; I658-Q660 PolarHBondContact O-N 3Å
659	K	65.7	Low	72.6	Confident	194 Å²	194	70.9 Å²	70.9	84%	0.843	34%	0.336	S	S	*	.			trans	-80.7	97.7	167.8	-63.8	-176.8	-178.9	-178.6	0	108.2	F657	F657-K659 PolarHBondContact O-N 3.41Å
660	Q	64.8	Low	71.2	Confident	8 Å²	8	71.4 Å²	71.4	4%	0.037	33%	0.333	C	S	.	.			trans	-82.9	133.3	165.8	-77.6	163	-15.5	0	0	109.1	Y472 A544 A545 L546 P547 I658	Y472-Q660 VanDerWaalsContact CD2-O 3.3Å; Y472-Q660 WeakPolarHBondContact CD2-O 3.41Å; Y472-Q660 HydrophobicContact CE2-CB 3.67Å; Y472-Q660 VanDerWaalsContact CE2-O 3.24Å; Y472-Q660 WeakPolarHBondContact CE2-O 3.48Å; Y472-Q660 WeakPolarHBondContact OH-CB 3.39Å; Y472-Q660 PolarHBondContact OH-N 3.22Å; A544-Q660 PolarHBondContact O-NE2 3.18Å; A544-Q660 VanDerWaalsContact O-NE2 3.13Å; A544-Q660 PolarHBondContact O-OE1 3.28Å; A545-Q660 VanDerWaalsContact C-NE2 3.3Å; A545-Q660 PolarHBondContact O-NE2 2.83Å; L546-Q660 PolarHBondContact O-NE2 3.31Å; P547-Q660 HydrophobicContact CB-CG 4.45Å; I658-Q660 HydrophobicContact CG2-CG 4.05Å; I658-Q660 PolarHBondContact O-N 3Å
661	K	59.6	Low	69.8	Low	52 Å²	52	71.1 Å²	71.1	23%	0.226	33%	0.329	C	S	.	.			trans	-82.7	140.9	179.5	-66.5	-176.4	176.8	-177.4	0	109.3	E114 S663 Q664	E114-K661 PolarHBondContact O-NZ 3Å; K661-S663 PolarHBondContact O-N 2.9Å; K661-Q664 HydrophobicContact CB-CG 4.1Å; K661-Q664 PolarHBondContact O-N 3.22Å
662	S	47.4	Very low	68.2	Low	21 Å²	21	75.7 Å²	75.7	15%	0.147	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-64.5	-18.7	178.3	-173.8	0	0	0	0	113.7	A469 Q664	A469-S662 WeakPolarHBondContact CB-OG 3.24Å; S662-Q664 VanDerWaalsContact C-N 3.28Å; S662-Q664 PolarHBondContact O-N 3.5Å
663	S	48.8	Very low	66.3	Low	63 Å²	63	76.9 Å²	76.9	44%	0.441	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-81.1	-1.4	179.8	53.3	0	0	0	0	114.4	K661	K661-S663 PolarHBondContact O-N 2.9Å
664	Q	46.9	Very low	64.2	Low	27 Å²	27	77.9 Å²	77.9	13%	0.126	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-92.1	3.9	-173.9	-65.9	178.1	-13	0	0	114.2	P57 K661 S662	P57-Q664 HydrophobicContact CG-CG 3.95Å; K661-Q664 HydrophobicContact CB-CG 4.1Å; K661-Q664 PolarHBondContact O-N 3.22Å; S662-Q664 VanDerWaalsContact C-N 3.28Å; S662-Q664 PolarHBondContact O-N 3.5Å
665	D	39.7	Very low	62	Low	55 Å²	55	83.5 Å²	83.5	29%	0.294	38%	0.381	S	S	.	.			trans	-91.6	7.9	-175.4	-81.4	-45.2	0	0	0	114.3	H465 R468	H465-D665 IonicContact CD2-OD1 3.15Å; R468-D665 IonicContact CZ-OD1 3.94Å; R468-D665 IonicContact CZ-OD2 3.83Å; R468-D665 IonicContact NE-OD2 3.83Å; R468-D665 IonicContact NH2-OD1 3Å; R468-D665 PolarHBondContact NH2-OD1 3.26Å; R468-D665 IonicContact NH2-OD2 3.37Å; R468-D665 PolarHBondContact NH2-OD2 3.26Å
666	W	32.7	Very low	59.7	Low	245 Å²	245	89.7 Å²	89.7	93%	0.928	41%	0.409	S	S	*	.			trans	-126.8	0	-175.7	-9.8	-41.9	0	0	0	111.5

Retrieved 666 of 666 residues in 706.6 ms (Link to these results)

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