A0A5K4FEF8_SCHMA Loading...

ABC1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FEF8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 619 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	32.4	Very low	30.3	Very low	236 Å²	236	167.7 Å²	167.7	100%	1.163	88%	0.877	S	S	*	*				0	80.4	0	-71.4	171.1	165.7	0	0	106.9
2	T	28.6	Very low	30.2	Very low	125 Å²	125	158.7 Å²	158.7	77%	0.767	85%	0.854	S	S	*	*				73.5	134.2	93.1	44.7	0	0	0	0	114.8
3	F	32.7	Very low	30.2	Very low	213 Å²	213	159.4 Å²	159.4	93%	0.934	86%	0.856	S	S	*	*			trans	89.7	115.7	-178.7	-66.7	-85.8	0	0	0	114.7
4	G	31.1	Very low	30.4	Very low	80 Å²	80	157.4 Å²	157.4	83%	0.825	85%	0.853	S	S	*	*			cis	132.2	137.8	12.1	0	0	0	0	0	109.6
5	G	32.9	Very low	30.8	Very low	75 Å²	75	153.7 Å²	153.7	77%	0.773	84%	0.838	S	S	*	*			trans	125.6	90.3	166	0	0	0	0	0	114.2
6	R	27.5	Very low	31	Very low	233 Å²	233	156.8 Å²	156.8	88%	0.879	84%	0.84	S	S	*	*				56.4	109.1	105.9	-83.7	-176.5	-175.1	-175	2.1	113.9
7	W	31.9	Very low	31.3	Very low	232 Å²	232	157.6 Å²	157.6	88%	0.879	84%	0.838	S	S	*	*				178	74.3	117.1	-92	101.8	0	0	0	109.6
8	S	28.6	Very low	31.6	Very low	112 Å²	112	151.4 Å²	151.4	78%	0.783	81%	0.813	S	S	*	*			trans	-91.7	93.5	156.3	62	0	0	0	0	107.9
9	R	27.8	Very low	31.9	Very low	212 Å²	212	154.9 Å²	154.9	80%	0.8	81%	0.813	S	S	*	*			trans	-177.5	87.6	162.6	-111.3	-178.3	-106	-167.7	-5.6	109.8
10	L	28.9	Very low	32.3	Very low	182 Å²	182	156.9 Å²	156.9	95%	0.953	81%	0.81	S	S	*	*			trans	-160	44.4	148.2	-100.9	166	0	0	0	108.7
11	T	31.3	Very low	32.4	Very low	145 Å²	145	152.1 Å²	152.1	89%	0.89	79%	0.791	S	S	*	*			trans	-99.7	104.5	161.8	45.5	0	0	0	0	107.1
12	G	29.3	Very low	32.7	Very low	59 Å²	59	143.3 Å²	143.3	61%	0.608	76%	0.761	S	S	*	*	S	Bend	trans	153.1	108.9	170.8	0	0	0	0	0	112.5
13	L	29.2	Very low	33.2	Very low	168 Å²	168	142.9 Å²	142.9	88%	0.88	75%	0.753	S	S	*	*	S	Bend	trans	82.8	123.7	173.9	-58.7	121.3	0	0	0	115.9
14	T	32.8	Very low	33.4	Very low	132 Å²	132	135.7 Å²	135.7	81%	0.81	73%	0.733	S	S	*	*	S	Bend	trans	78.2	93.9	177.2	81.3	0	0	0	0	113.9
15	T	36.8	Very low	33.8	Very low	102 Å²	102	139.4 Å²	139.4	63%	0.626	73%	0.727	S	S	*	*				-178.9	34.3	97.7	36.7	0	0	0	0	111.6	H17 A18	T15-H17 PolarHBondContact O-N 3.22Å; T15-A18 HydrophobicContact CG2-CB 3.77Å; T15-A18 PolarHBondContact O-N 3.32Å
16	K	34.9	Very low	34.3	Very low	202 Å²	202	139 Å²	139	88%	0.878	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.9	-7.3	165.8	-132.7	179.5	-175.5	-177	0	112.6
17	H	35.3	Very low	35.3	Very low	171 Å²	171	132.4 Å²	132.4	79%	0.792	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-6.7	172.5	-71.5	45.7	0	0	0	114.1	T15	T15-H17 PolarHBondContact O-N 3.22Å
18	A	37.5	Very low	35.9	Very low	47 Å²	47	124.3 Å²	124.3	39%	0.388	68%	0.675	S	S	.	*	H	α-helix	trans	-88.8	-17.8	-177.2	0	0	0	0	0	114.4	T15 Y20 S21	T15-A18 HydrophobicContact CG2-CB 3.77Å; T15-A18 PolarHBondContact O-N 3.32Å; A18-Y20 VanDerWaalsContact C-N 3.27Å; A18-Y20 PolarHBondContact O-N 3.25Å; A18-S21 WeakPolarHBondContact CA-OG 3.48Å; A18-S21 PolarHBondContact O-OG 3.46Å
19	R	37.2	Very low	37.3	Very low	218 Å²	218	124.9 Å²	124.9	82%	0.823	67%	0.668	S	S	*	*	H	α-helix	trans	-75.3	-13.4	176.7	-92.7	-178	165.6	177.6	-4.1	114.2
20	Y	38.5	Very low	38.8	Very low	193 Å²	193	119.7 Å²	119.7	76%	0.757	65%	0.651	S	S	*	*	H	α-helix	trans	-107.7	-16.8	174.5	-72	-79.4	0	0	0	113.4	A18 A24	A18-Y20 VanDerWaalsContact C-N 3.27Å; A18-Y20 PolarHBondContact O-N 3.25Å; Y20-A24 PolarHBondContact O-N 3.12Å
21	S	35.1	Very low	40.1	Very low	58 Å²	58	114 Å²	114	41%	0.406	63%	0.626	S	S	.	*	H	α-helix	trans	-78.3	-34.1	179	56.9	0	0	0	0	113.2	A18 A24 F25	A18-S21 WeakPolarHBondContact CA-OG 3.48Å; A18-S21 PolarHBondContact O-OG 3.46Å; S21-A24 PolarHBondContact O-N 3.19Å; S21-F25 WeakPolarHBondContact O-CD2 3.47Å
22	G	39.1	Very low	41.4	Very low	51 Å²	51	110.6 Å²	110.6	53%	0.526	61%	0.609	S	S	.	*	H	α-helix	trans	-68.4	-32.7	176.6	0	0	0	0	0	114.5
23	L	38.1	Very low	43.3	Very low	116 Å²	116	112.6 Å²	112.6	61%	0.607	60%	0.601	S	S	*	*	H	α-helix	trans	-74.6	-28.5	174.9	-96.5	130.1	0	0	0	112.6	S26 V27	L23-S26 PolarHBondContact O-OG 2.97Å; L23-V27 WeakPolarHBondContact O-CG2 3.39Å
24	A	37	Very low	44.7	Very low	62 Å²	62	106.5 Å²	106.5	51%	0.512	57%	0.571	S	S	.	*	H	α-helix	trans	-73.3	-26	179.4	0	0	0	0	0	113.2	Y20 S21 P28	Y20-A24 PolarHBondContact O-N 3.12Å; S21-A24 PolarHBondContact O-N 3.19Å; A24-P28 WeakPolarHBondContact O-CD 3.4Å; A24-P28 WeakPolarHBondContact O-CG 3.39Å
25	F	39.6	Very low	46.1	Very low	158 Å²	158	107.3 Å²	107.3	69%	0.693	56%	0.56	S	S	*	*	H	α-helix	trans	-92.5	-21.8	179.1	-79.4	-78	0	0	0	114.6	S21 P28	S21-F25 WeakPolarHBondContact O-CD2 3.47Å; F25-P28 WeakPolarHBondContact O-CD 3.37Å
26	S	44.5	Very low	47.5	Very low	66 Å²	66	109.2 Å²	109.2	46%	0.462	56%	0.556	S	S	.	*	H	α-helix	trans	-78.8	-30.3	179	60.5	0	0	0	0	113.7	L23 F30	L23-S26 PolarHBondContact O-OG 2.97Å; S26-F30 PolarHBondContact O-N 3.48Å
27	V	47.3	Very low	48.7	Very low	94 Å²	94	99.9 Å²	99.9	57%	0.57	52%	0.516	S	S	*	.	H	α-helix	trans	-68.4	-45.1	-178	177.8	0	0	0	0	112.5	L23 I29 F30 S31	L23-V27 WeakPolarHBondContact O-CG2 3.39Å; V27-I29 PolarHBondContact O-N 3.04Å; V27-F30 PolarHBondContact O-N 3.19Å; V27-S31 WeakPolarHBondContact O-CB 3.33Å; V27-S31 PolarHBondContact O-N 3.42Å; V27-S31 PolarHBondContact O-OG 3.41Å
28	P	45.8	Very low	49.9	Very low	62 Å²	62	97.6 Å²	97.6	40%	0.403	50%	0.502	S	S	.	.	H	α-helix	trans	-61.4	-42	178.9	-22.6	32.5	0	0	0	112.8	A24 F25 S31 S32	A24-P28 WeakPolarHBondContact O-CD 3.4Å; A24-P28 WeakPolarHBondContact O-CG 3.39Å; F25-P28 WeakPolarHBondContact O-CD 3.37Å; P28-S31 WeakPolarHBondContact CA-OG 3.36Å; P28-S31 PolarHBondContact O-N 3.13Å; P28-S31 PolarHBondContact O-OG 2.89Å; P28-S32 VanDerWaalsContact O-CB 3.3Å; P28-S32 WeakPolarHBondContact O-CB 3.1Å; P28-S32 PolarHBondContact O-N 3.41Å; P28-S32 PolarHBondContact O-OG 3.06Å
29	I	58.2	Low	51	Low	125 Å²	125	100.6 Å²	100.6	64%	0.641	51%	0.511	S	S	*	.	H	α-helix	trans	-65.7	-44.5	-177.8	-60.9	173.3	0	0	0	110.6	V27 S32 F33	V27-I29 PolarHBondContact O-N 3.04Å; I29-S32 PolarHBondContact O-N 2.79Å; I29-F33 WeakPolarHBondContact O-CB 3.41Å; I29-F33 PolarHBondContact O-N 3.34Å
30	F	58.6	Low	52.1	Low	102 Å²	102	96.4 Å²	96.4	45%	0.447	50%	0.5	S	S	.	.	H	α-helix	trans	-66.6	-41.3	177	-168.5	-97.2	0	0	0	111.4	S26 V27 S32 F33 V34 V51	S26-F30 PolarHBondContact O-N 3.48Å; V27-F30 PolarHBondContact O-N 3.19Å; F30-S32 PolarHBondContact O-N 3.23Å; F30-F33 PolarHBondContact O-N 3.44Å; F30-V34 HydrophobicContact CD1-CG2 4Å; F30-V34 HydrophobicContact CE1-CG2 3.68Å; F30-V34 HydrophobicContact CZ-CG2 4.07Å; F30-V34 WeakPolarHBondContact O-CB 3.49Å; F30-V34 VanDerWaalsContact O-CG2 3.29Å; F30-V34 WeakPolarHBondContact O-CG2 3.35Å; F30-V34 PolarHBondContact O-N 3.35Å; F30-V51 HydrophobicContact CZ-CG1 4.33Å; F30-V51 HydrophobicContact CZ-CG2 4.44Å
31	S	57.1	Low	53	Low	62 Å²	62	91 Å²	91	43%	0.434	48%	0.484	S	S	.	.	H	α-helix	trans	-64.4	-39.7	175.3	64.6	0	0	0	0	112.4	V27 P28 V34 Y35	V27-S31 WeakPolarHBondContact O-CB 3.33Å; V27-S31 PolarHBondContact O-N 3.42Å; V27-S31 PolarHBondContact O-OG 3.41Å; P28-S31 WeakPolarHBondContact CA-OG 3.36Å; P28-S31 PolarHBondContact O-N 3.13Å; P28-S31 PolarHBondContact O-OG 2.89Å; S31-V34 PolarHBondContact O-N 3.39Å; S31-Y35 WeakPolarHBondContact O-CB 3.3Å; S31-Y35 PolarHBondContact O-N 3.04Å
32	S	58.5	Low	53.7	Low	74 Å²	74	91.1 Å²	91.1	52%	0.517	50%	0.495	S	S	.	.	H	α-helix	trans	-67.6	-37.3	176.9	-69	0	0	0	0	111.7	P28 I29 F30 Y36	P28-S32 VanDerWaalsContact O-CB 3.3Å; P28-S32 WeakPolarHBondContact O-CB 3.1Å; P28-S32 PolarHBondContact O-N 3.41Å; P28-S32 PolarHBondContact O-OG 3.06Å; I29-S32 PolarHBondContact O-N 2.79Å; F30-S32 PolarHBondContact O-N 3.23Å; S32-Y36 WeakPolarHBondContact O-CB 3.29Å; S32-Y36 PolarHBondContact O-N 2.83Å
33	F	67.3	Low	54.7	Low	102 Å²	102	90.4 Å²	90.4	45%	0.447	49%	0.488	S	S	.	.	H	α-helix	trans	-66.5	-47	173.9	-179.5	-101	0	0	0	111.8	I29 F30 Y35 Y36 V37	I29-F33 WeakPolarHBondContact O-CB 3.41Å; I29-F33 PolarHBondContact O-N 3.34Å; F30-F33 PolarHBondContact O-N 3.44Å; F33-Y35 VanDerWaalsContact C-N 3.31Å; F33-Y35 PolarHBondContact O-N 3.43Å; F33-Y36 PolarHBondContact O-N 2.94Å; F33-V37 HydrophobicContact CD1-CG2 4.33Å; F33-V37 HydrophobicContact CD2-CG2 4.48Å; F33-V37 HydrophobicContact CE1-CG2 3.95Å; F33-V37 HydrophobicContact CE2-CG2 4.12Å; F33-V37 HydrophobicContact CZ-CG2 3.84Å; F33-V37 WeakPolarHBondContact O-CB 3.49Å; F33-V37 VanDerWaalsContact O-CG2 3.27Å; F33-V37 WeakPolarHBondContact O-CG2 3.47Å; F33-V37 PolarHBondContact O-N 3.36Å
34	V	60.6	Low	55.8	Low	40 Å²	40	92.4 Å²	92.4	24%	0.242	49%	0.494	C	S	.	.	H	α-helix	trans	-60.4	-42.8	176	171.1	0	0	0	0	110.9	F30 S31 V37 Y38 V47 V51	F30-V34 HydrophobicContact CD1-CG2 4Å; F30-V34 HydrophobicContact CE1-CG2 3.68Å; F30-V34 HydrophobicContact CZ-CG2 4.07Å; F30-V34 WeakPolarHBondContact O-CB 3.49Å; F30-V34 VanDerWaalsContact O-CG2 3.29Å; F30-V34 WeakPolarHBondContact O-CG2 3.35Å; F30-V34 PolarHBondContact O-N 3.35Å; S31-V34 PolarHBondContact O-N 3.39Å; V34-V37 PolarHBondContact O-N 2.94Å; V34-Y38 WeakPolarHBondContact O-CB 3.17Å; V34-Y38 PolarHBondContact O-N 3.5Å; V34-V47 HydrophobicContact CG1-CG1 3.77Å; V34-V51 HydrophobicContact CG2-CG2 3.92Å
35	Y	61.3	Low	56.9	Low	148 Å²	148	95.9 Å²	95.9	58%	0.58	49%	0.494	S	S	*	.	H	α-helix	trans	-66.8	-41.3	177.5	-174.4	-107.4	0	0	0	112.5	S31 F33 Y38 L39	S31-Y35 WeakPolarHBondContact O-CB 3.3Å; S31-Y35 PolarHBondContact O-N 3.04Å; F33-Y35 VanDerWaalsContact C-N 3.31Å; F33-Y35 PolarHBondContact O-N 3.43Å; Y35-Y38 PolarHBondContact O-N 3.2Å; Y35-L39 HydrophobicContact CD1-CD1 3.7Å; Y35-L39 HydrophobicContact CE1-CD1 3.17Å; Y35-L39 HydrophobicContact CE1-CG 4.19Å; Y35-L39 HydrophobicContact CE2-CD1 4.26Å; Y35-L39 HydrophobicContact CE2-CG 4.48Å; Y35-L39 HydrophobicContact CG-CD1 4.44Å; Y35-L39 VanDerWaalsContact CZ-CD1 3.48Å; Y35-L39 WeakPolarHBondContact O-CB 3.33Å; Y35-L39 PolarHBondContact O-N 2.85Å
36	Y	65.1	Low	58.1	Low	142 Å²	142	91.5 Å²	91.5	56%	0.557	48%	0.477	S	S	*	.	H	α-helix	trans	-60.6	-47.4	174.3	176.4	-94.4	0	0	0	111.2	S32 F33 Y38 L39 H40	S32-Y36 WeakPolarHBondContact O-CB 3.29Å; S32-Y36 PolarHBondContact O-N 2.83Å; F33-Y36 PolarHBondContact O-N 2.94Å; Y36-Y38 VanDerWaalsContact C-N 3.33Å; Y36-Y38 PolarHBondContact O-N 3.4Å; Y36-L39 PolarHBondContact O-N 3.43Å; Y36-H40 AromaticContact CE2-CD2 3.88Å; Y36-H40 AromaticContact CZ-CD2 4Å; Y36-H40 WeakPolarHBondContact O-CB 3.48Å; Y36-H40 PolarHBondContact O-N 3.45Å
37	V	60.4	Low	59.1	Low	7 Å²	7	89.1 Å²	89.1	4%	0.042	46%	0.46	C	S	.	.	H	α-helix	trans	-63.9	-39.9	177.3	173.9	0	0	0	0	111.3	F33 V34 N41 V47 H50	F33-V37 HydrophobicContact CD1-CG2 4.33Å; F33-V37 HydrophobicContact CD2-CG2 4.48Å; F33-V37 HydrophobicContact CE1-CG2 3.95Å; F33-V37 HydrophobicContact CE2-CG2 4.12Å; F33-V37 HydrophobicContact CZ-CG2 3.84Å; F33-V37 WeakPolarHBondContact O-CB 3.49Å; F33-V37 VanDerWaalsContact O-CG2 3.27Å; F33-V37 WeakPolarHBondContact O-CG2 3.47Å; F33-V37 PolarHBondContact O-N 3.36Å; V34-V37 PolarHBondContact O-N 2.94Å; V37-N41 WeakPolarHBondContact O-CB 3.41Å; V37-N41 PolarHBondContact O-N 3.45Å; V37-V47 HydrophobicContact CG1-CG2 4.17Å; V37-H50 HydrophobicContact CG1-CB 3.95Å; V37-H50 WeakPolarHBondContact CG1-CD2 3.38Å
38	Y	61.7	Low	60.2	Low	122 Å²	122	92 Å²	92	48%	0.478	46%	0.462	S	S	.	.	H	α-helix	trans	-60.2	-46	175.5	-178	-93.6	0	0	0	112.1	V34 Y35 Y36 E44 V47	V34-Y38 WeakPolarHBondContact O-CB 3.17Å; V34-Y38 PolarHBondContact O-N 3.5Å; Y35-Y38 PolarHBondContact O-N 3.2Å; Y36-Y38 VanDerWaalsContact C-N 3.33Å; Y36-Y38 PolarHBondContact O-N 3.4Å; Y38-E44 HydrophobicContact CE2-CG 4.41Å; Y38-V47 HydrophobicContact CD2-CG2 3.81Å; Y38-V47 HydrophobicContact CG-CG2 4.21Å
39	L	60.9	Low	61.4	Low	110 Å²	110	91.1 Å²	91.1	58%	0.576	45%	0.454	S	S	*	.	H	α-helix	trans	-69.5	-39.4	179.9	-85.5	169.7	0	0	0	113.1	Y35 Y36	Y35-L39 HydrophobicContact CD1-CD1 3.7Å; Y35-L39 HydrophobicContact CE1-CD1 3.17Å; Y35-L39 HydrophobicContact CE1-CG 4.19Å; Y35-L39 HydrophobicContact CE2-CD1 4.26Å; Y35-L39 HydrophobicContact CE2-CG 4.48Å; Y35-L39 HydrophobicContact CG-CD1 4.44Å; Y35-L39 VanDerWaalsContact CZ-CD1 3.48Å; Y35-L39 WeakPolarHBondContact O-CB 3.33Å; Y35-L39 PolarHBondContact O-N 2.85Å; Y36-L39 PolarHBondContact O-N 3.43Å
40	H	60.3	Low	62.1	Low	131 Å²	131	88.5 Å²	88.5	61%	0.606	44%	0.439	S	S	*	.	H	α-helix	trans	-96	-23.8	-166.9	-128.2	-58	0	0	0	114.6	Y36	Y36-H40 AromaticContact CE2-CD2 3.88Å; Y36-H40 AromaticContact CZ-CD2 4Å; Y36-H40 WeakPolarHBondContact O-CB 3.48Å; Y36-H40 PolarHBondContact O-N 3.45Å
41	N	56.8	Low	63.1	Low	78 Å²	78	85 Å²	85	42%	0.417	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	15.7	-173.1	-74.5	-7.3	0	0	0	114.7	V37 N46 H50	V37-N41 WeakPolarHBondContact O-CB 3.41Å; V37-N41 PolarHBondContact O-N 3.45Å; N41-N46 HydrophobicContact CB-CB 4.49Å; N41-N46 PolarHBondContact O-ND2 3.22Å; N41-H50 PolarHBondContact ND2-NE2 2.89Å
42	G	49.8	Very low	64.1	Low	62 Å²	62	84.2 Å²	84.2	64%	0.639	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	72	158.2	0	0	0	0	0	117
43	G	60	Low	65	Low	36 Å²	36	82.8 Å²	82.8	37%	0.371	41%	0.405	S	S	.	.	S	Bend	trans	128.4	150.5	162.3	0	0	0	0	0	114.9	R45 N46 V47	G43-R45 PolarHBondContact O-N 2.93Å; G43-N46 PolarHBondContact O-N 3.31Å; G43-N46 VanDerWaalsContact O-N 3.1Å; G43-V47 PolarHBondContact O-N 3.42Å
44	E	60.5	Low	65.7	Low	157 Å²	157	79.4 Å²	79.4	73%	0.734	40%	0.395	S	S	*	.	H	α-helix	trans	-55.8	-35.3	-178.8	-66.6	-174.9	157	0	0	113	Y38 N46 V47 Y48	Y38-E44 HydrophobicContact CE2-CG 4.41Å; E44-N46 VanDerWaalsContact C-N 3.33Å; E44-N46 PolarHBondContact O-N 2.93Å; E44-V47 PolarHBondContact O-N 3.29Å; E44-Y48 WeakPolarHBondContact O-CB 3.46Å; E44-Y48 PolarHBondContact O-N 3.48Å
45	R	60.7	Low	67	Low	135 Å²	135	82.8 Å²	82.8	51%	0.509	41%	0.407	S	S	.	.	H	α-helix	trans	-61.6	-39.7	178.8	-165.7	174.7	-174.9	-173.4	-2.3	112	G43 N49 E198	G43-R45 PolarHBondContact O-N 2.93Å; R45-N49 WeakPolarHBondContact O-CB 3.33Å; R45-N49 PolarHBondContact O-N 3.42Å; R45-N49 PolarHBondContact O-ND2 3.32Å; R45-E198 IonicContact CZ-OE1 2.77Å; R45-E198 IonicContact NH1-OE1 3.66Å; R45-E198 IonicContact NH2-OE1 2.63Å; R45-E198 PolarHBondContact NH2-OE1 3.33Å; R45-E198 IonicContact NH2-OE2 3.42Å; R45-E198 PolarHBondContact NH2-OE2 2.85Å; R45-E198 VanDerWaalsContact NH2-OE2 3.12Å
46	N	64.1	Low	68.1	Low	66 Å²	66	76.3 Å²	76.3	35%	0.353	38%	0.382	S	S	.	.	H	α-helix	trans	-70.7	-42.5	-179.6	-71.8	-18.2	0	0	0	111.1	N41 G43 E44 Y48 N49 H50	N41-N46 HydrophobicContact CB-CB 4.49Å; N41-N46 PolarHBondContact O-ND2 3.22Å; G43-N46 PolarHBondContact O-N 3.31Å; G43-N46 VanDerWaalsContact O-N 3.1Å; E44-N46 VanDerWaalsContact C-N 3.33Å; E44-N46 PolarHBondContact O-N 2.93Å; N46-Y48 PolarHBondContact O-N 3.38Å; N46-N49 PolarHBondContact O-N 3.1Å; N46-H50 PolarHBondContact O-CD2 2.72Å; N46-H50 PolarHBondContact O-N 3.2Å
47	V	65.7	Low	69.1	Low	17 Å²	17	72.7 Å²	72.7	10%	0.103	37%	0.369	C	S	.	.	H	α-helix	trans	-61.5	-46.5	175.4	-177.5	0	0	0	0	111.7	V34 V37 Y38 G43 E44 N49 H50 V51	V34-V47 HydrophobicContact CG1-CG1 3.77Å; V37-V47 HydrophobicContact CG1-CG2 4.17Å; Y38-V47 HydrophobicContact CD2-CG2 3.81Å; Y38-V47 HydrophobicContact CG-CG2 4.21Å; G43-V47 PolarHBondContact O-N 3.42Å; E44-V47 PolarHBondContact O-N 3.29Å; V47-N49 VanDerWaalsContact C-N 3.31Å; V47-N49 PolarHBondContact O-N 3Å; V47-H50 PolarHBondContact O-N 3.49Å; V47-V51 HydrophobicContact CG1-CG2 4.43Å; V47-V51 WeakPolarHBondContact O-CG2 3.48Å; V47-V51 PolarHBondContact O-N 2.97Å
48	Y	70.3	Confident	70.5	Confident	153 Å²	153	77.5 Å²	77.5	60%	0.6	39%	0.394	S	S	*	.	H	α-helix	trans	-58.2	-45.4	177.2	-179.1	-106.1	0	0	0	111.4	E44 N46 H50 V51 L52	E44-Y48 WeakPolarHBondContact O-CB 3.46Å; E44-Y48 PolarHBondContact O-N 3.48Å; N46-Y48 PolarHBondContact O-N 3.38Å; Y48-H50 PolarHBondContact O-N 3.41Å; Y48-V51 PolarHBondContact O-N 3.33Å; Y48-L52 HydrophobicContact CD1-CD1 3.68Å; Y48-L52 HydrophobicContact CD1-CG 4.43Å; Y48-L52 HydrophobicContact CE1-CD1 3.22Å; Y48-L52 HydrophobicContact CE1-CG 4.13Å; Y48-L52 HydrophobicContact CE2-CD1 4.29Å; Y48-L52 HydrophobicContact CE2-CG 4.38Å; Y48-L52 HydrophobicContact CG-CD1 4.4Å; Y48-L52 WeakPolarHBondContact O-CB 3.41Å; Y48-L52 WeakPolarHBondContact O-CG 3.38Å; Y48-L52 PolarHBondContact O-N 3.12Å
49	N	70.7	Confident	71.8	Confident	44 Å²	44	77 Å²	77	24%	0.235	39%	0.391	C	S	.	.	H	α-helix	trans	-61.2	-44	175.9	-76	-22.9	0	0	0	112.3	R45 N46 V47 L52 T53	R45-N49 WeakPolarHBondContact O-CB 3.33Å; R45-N49 PolarHBondContact O-N 3.42Å; R45-N49 PolarHBondContact O-ND2 3.32Å; N46-N49 PolarHBondContact O-N 3.1Å; V47-N49 VanDerWaalsContact C-N 3.31Å; V47-N49 PolarHBondContact O-N 3Å; N49-L52 PolarHBondContact O-N 2.95Å; N49-T53 PolarHBondContact O-N 2.58Å; N49-T53 PolarHBondContact O-OG1 3.28Å
50	H	73.3	Confident	73.1	Confident	70 Å²	70	72.2 Å²	72.2	32%	0.324	37%	0.367	S	S	.	.	H	α-helix	trans	-64.5	-42.3	177.7	-76.2	-67.1	0	0	0	112.9	V37 N41 N46 V47 Y48 L52 T53 A54	V37-H50 HydrophobicContact CG1-CB 3.95Å; V37-H50 WeakPolarHBondContact CG1-CD2 3.38Å; N41-H50 PolarHBondContact ND2-NE2 2.89Å; N46-H50 PolarHBondContact O-CD2 2.72Å; N46-H50 PolarHBondContact O-N 3.2Å; V47-H50 PolarHBondContact O-N 3.49Å; Y48-H50 PolarHBondContact O-N 3.41Å; H50-L52 VanDerWaalsContact C-N 3.34Å; H50-L52 PolarHBondContact O-N 2.74Å; H50-T53 PolarHBondContact O-N 3.39Å; H50-A54 PolarHBondContact O-N 2.85Å
51	V	79.4	Confident	74.4	Confident	30 Å²	30	67.8 Å²	67.8	18%	0.182	35%	0.349	C	S	.	.	H	α-helix	trans	-63.2	-42	175.9	170.5	0	0	0	0	110.9	F30 V34 V47 Y48 A54 K55	F30-V51 HydrophobicContact CZ-CG1 4.33Å; F30-V51 HydrophobicContact CZ-CG2 4.44Å; V34-V51 HydrophobicContact CG2-CG2 3.92Å; V47-V51 HydrophobicContact CG1-CG2 4.43Å; V47-V51 WeakPolarHBondContact O-CG2 3.48Å; V47-V51 PolarHBondContact O-N 2.97Å; Y48-V51 PolarHBondContact O-N 3.33Å; V51-A54 PolarHBondContact O-N 3.31Å; V51-K55 HydrophobicContact CG1-CD 4.46Å; V51-K55 WeakPolarHBondContact O-CG 3.41Å; V51-K55 PolarHBondContact O-N 3.45Å
52	L	78.2	Confident	76.1	Confident	45 Å²	45	71.4 Å²	71.4	24%	0.236	36%	0.358	C	S	.	.	H	α-helix	trans	-62.4	-43.6	174.3	-74.9	175.7	0	0	0	111.8	Y48 N49 H50 K55 R56	Y48-L52 HydrophobicContact CD1-CD1 3.68Å; Y48-L52 HydrophobicContact CD1-CG 4.43Å; Y48-L52 HydrophobicContact CE1-CD1 3.22Å; Y48-L52 HydrophobicContact CE1-CG 4.13Å; Y48-L52 HydrophobicContact CE2-CD1 4.29Å; Y48-L52 HydrophobicContact CE2-CG 4.38Å; Y48-L52 HydrophobicContact CG-CD1 4.4Å; Y48-L52 WeakPolarHBondContact O-CB 3.41Å; Y48-L52 WeakPolarHBondContact O-CG 3.38Å; Y48-L52 PolarHBondContact O-N 3.12Å; N49-L52 PolarHBondContact O-N 2.95Å; H50-L52 VanDerWaalsContact C-N 3.34Å; H50-L52 PolarHBondContact O-N 2.74Å; L52-K55 PolarHBondContact O-N 3.11Å; L52-R56 WeakPolarHBondContact O-CG 3.4Å; L52-R56 PolarHBondContact O-N 3.34Å
53	T	77.6	Confident	78	Confident	44 Å²	44	69.6 Å²	69.6	27%	0.27	34%	0.335	S	S	.	.	H	α-helix	trans	-60.6	-45.5	176.2	-59.2	0	0	0	0	111.5	N49 H50 K55 R56 F57	N49-T53 PolarHBondContact O-N 2.58Å; N49-T53 PolarHBondContact O-OG1 3.28Å; H50-T53 PolarHBondContact O-N 3.39Å; T53-K55 VanDerWaalsContact C-N 3.33Å; T53-K55 PolarHBondContact O-N 3.3Å; T53-R56 PolarHBondContact O-N 3.2Å; T53-R56 PolarHBondContact OG1-NH2 3.32Å; T53-F57 WeakPolarHBondContact O-CB 3.39Å; T53-F57 PolarHBondContact O-N 3.24Å
54	A	82.7	Confident	79.4	Confident	30 Å²	30	68.7 Å²	68.7	25%	0.248	33%	0.326	C	S	.	.	H	α-helix	trans	-61.1	-40.5	175.5	0	0	0	0	0	112.2	H50 V51 F57 L58	H50-A54 PolarHBondContact O-N 2.85Å; V51-A54 PolarHBondContact O-N 3.31Å; A54-F57 PolarHBondContact O-N 3.07Å; A54-L58 WeakPolarHBondContact O-CB 3.35Å; A54-L58 VanDerWaalsContact O-CG 3.3Å; A54-L58 WeakPolarHBondContact O-CG 3.48Å; A54-L58 PolarHBondContact O-N 3.42Å
55	K	86.8	Confident	80.7	Confident	111 Å²	111	63.6 Å²	63.6	48%	0.483	31%	0.305	S	S	.	.	H	α-helix	trans	-63.2	-43.3	174.6	-76.4	179.1	178.1	178.6	0	112.2	V51 L52 T53 L58 R59	V51-K55 HydrophobicContact CG1-CD 4.46Å; V51-K55 WeakPolarHBondContact O-CG 3.41Å; V51-K55 PolarHBondContact O-N 3.45Å; L52-K55 PolarHBondContact O-N 3.11Å; T53-K55 VanDerWaalsContact C-N 3.33Å; T53-K55 PolarHBondContact O-N 3.3Å; K55-L58 PolarHBondContact O-N 3.44Å; K55-R59 VanDerWaalsContact O-CG 3.26Å; K55-R59 WeakPolarHBondContact O-CG 3.3Å; K55-R59 PolarHBondContact O-N 3.23Å
56	R	85.2	Confident	82.1	Confident	13 Å²	13	59.9 Å²	59.9	5%	0.049	30%	0.295	C	S	.	.	H	α-helix	trans	-62.4	-45.5	176.1	-70.6	-166.3	-55.8	-79.2	-4.6	111.4	L52 T53 R59 A60 N107 D207	L52-R56 WeakPolarHBondContact O-CG 3.4Å; L52-R56 PolarHBondContact O-N 3.34Å; T53-R56 PolarHBondContact O-N 3.2Å; T53-R56 PolarHBondContact OG1-NH2 3.32Å; R56-R59 PolarHBondContact O-N 3.34Å; R56-A60 WeakPolarHBondContact O-CB 3.41Å; R56-A60 PolarHBondContact O-N 3.41Å; R56-N107 HydrophobicContact CG-CB 4.4Å; R56-N107 PolarHBondContact O-ND2 2.91Å; R56-D207 IonicContact CZ-OD1 2.72Å; R56-D207 IonicContact NE-OD1 3.68Å; R56-D207 PolarHBondContact NE-OD1 2.81Å; R56-D207 IonicContact NE-OD2 3.79Å; R56-D207 IonicContact NH2-OD1 2.69Å
57	F	86.6	Confident	83.4	Confident	66 Å²	66	57.7 Å²	57.7	29%	0.289	28%	0.283	S	S	.	.	H	α-helix	trans	-56.1	-52.7	175.4	178.5	-93.6	0	0	0	111.6	T53 A54 R59 A60 V61 T210 L213	T53-F57 WeakPolarHBondContact O-CB 3.39Å; T53-F57 PolarHBondContact O-N 3.24Å; A54-F57 PolarHBondContact O-N 3.07Å; F57-R59 VanDerWaalsContact C-N 3.32Å; F57-R59 PolarHBondContact O-N 2.74Å; F57-A60 PolarHBondContact O-N 2.84Å; F57-A60 VanDerWaalsContact O-N 3.13Å; F57-V61 HydrophobicContact CD1-CG2 3.98Å; F57-V61 HydrophobicContact CE1-CG2 3.57Å; F57-V61 HydrophobicContact CE2-CG2 4.13Å; F57-V61 HydrophobicContact CG-CG2 4.42Å; F57-V61 HydrophobicContact CZ-CG2 3.63Å; F57-V61 WeakPolarHBondContact O-CG2 3.27Å; F57-V61 PolarHBondContact O-N 2.98Å; F57-T210 HydrophobicContact CB-CG2 4.5Å; F57-T210 HydrophobicContact CD2-CG2 3.36Å; F57-T210 WeakPolarHBondContact CD2-OG1 2.88Å; F57-T210 HydrophobicContact CE2-CG2 3.88Å; F57-T210 HydrophobicContact CG-CG2 4.29Å; F57-L213 HydrophobicContact CE2-CD2 4.1Å; F57-L213 HydrophobicContact CZ-CD2 4.11Å
58	L	89.2	Confident	84.4	Confident	108 Å²	108	57.1 Å²	57.1	57%	0.565	28%	0.28	S	S	*	.	H	α-helix	trans	-61.5	-38.7	-179.7	-71.8	171.8	0	0	0	112.4	A54 K55 Y62	A54-L58 WeakPolarHBondContact O-CB 3.35Å; A54-L58 VanDerWaalsContact O-CG 3.3Å; A54-L58 WeakPolarHBondContact O-CG 3.48Å; A54-L58 PolarHBondContact O-N 3.42Å; K55-L58 PolarHBondContact O-N 3.44Å; L58-Y62 VanDerWaalsContact O-CB 3.22Å; L58-Y62 WeakPolarHBondContact O-CB 3.3Å; L58-Y62 PolarHBondContact O-N 3.21Å
59	R	90	Very high	85.4	Confident	112 Å²	112	55.5 Å²	55.5	42%	0.423	28%	0.279	S	S	.	.	H	α-helix	trans	-63.4	-42.7	174.2	-73.7	170.3	180	178.3	-1.1	111.9	K55 R56 F57 T63 Y106	K55-R59 VanDerWaalsContact O-CG 3.26Å; K55-R59 WeakPolarHBondContact O-CG 3.3Å; K55-R59 PolarHBondContact O-N 3.23Å; R56-R59 PolarHBondContact O-N 3.34Å; F57-R59 VanDerWaalsContact C-N 3.32Å; F57-R59 PolarHBondContact O-N 2.74Å; R59-T63 WeakPolarHBondContact O-CB 3.29Å; R59-T63 PolarHBondContact O-N 2.95Å; R59-T63 PolarHBondContact O-OG1 3.22Å; R59-Y106 PolarHBondContact NH1-O 3.04Å
60	A	88	Confident	86.4	Confident	9 Å²	9	54.3 Å²	54.3	7%	0.074	27%	0.273	C	S	.	.	H	α-helix	trans	-66.5	-45.7	179	0	0	0	0	0	111.3	R56 F57 Y62 T63 G64 Y111 T210 L214	R56-A60 WeakPolarHBondContact O-CB 3.41Å; R56-A60 PolarHBondContact O-N 3.41Å; F57-A60 PolarHBondContact O-N 2.84Å; F57-A60 VanDerWaalsContact O-N 3.13Å; A60-Y62 PolarHBondContact O-N 2.94Å; A60-T63 PolarHBondContact O-N 3.18Å; A60-G64 PolarHBondContact O-N 2.83Å; A60-Y111 HydrophobicContact CB-CE1 4Å; A60-T210 HydrophobicContact CB-CG2 4.29Å; A60-L214 HydrophobicContact CB-CD1 3.57Å
61	V	87.6	Confident	87.1	Confident	38 Å²	38	51.4 Å²	51.4	23%	0.23	26%	0.259	C	S	.	.	H	α-helix	trans	-59.3	-47.4	173.9	174.7	0	0	0	0	111.7	F57 T63 G64 T65 L214	F57-V61 HydrophobicContact CD1-CG2 3.98Å; F57-V61 HydrophobicContact CE1-CG2 3.57Å; F57-V61 HydrophobicContact CE2-CG2 4.13Å; F57-V61 HydrophobicContact CG-CG2 4.42Å; F57-V61 HydrophobicContact CZ-CG2 3.63Å; F57-V61 WeakPolarHBondContact O-CG2 3.27Å; F57-V61 PolarHBondContact O-N 2.98Å; V61-T63 VanDerWaalsContact C-N 3.34Å; V61-T63 PolarHBondContact O-N 3.36Å; V61-G64 PolarHBondContact O-N 3.02Å; V61-T65 VanDerWaalsContact O-CB 3.26Å; V61-T65 WeakPolarHBondContact O-CB 3.24Å; V61-T65 PolarHBondContact O-N 3.42Å; V61-T65 PolarHBondContact O-OG1 3.05Å; V61-L214 HydrophobicContact CB-CD2 4.12Å; V61-L214 HydrophobicContact CG2-CD2 3.68Å
62	Y	90.9	Very high	87.4	Confident	153 Å²	153	56 Å²	56	60%	0.6	28%	0.277	S	S	*	.	H	α-helix	trans	-59.1	-47.2	177.7	176.4	-102.7	0	0	0	111.4	L58 A60 T65 L66	L58-Y62 VanDerWaalsContact O-CB 3.22Å; L58-Y62 WeakPolarHBondContact O-CB 3.3Å; L58-Y62 PolarHBondContact O-N 3.21Å; A60-Y62 PolarHBondContact O-N 2.94Å; Y62-T65 PolarHBondContact O-N 2.92Å; Y62-L66 HydrophobicContact CD1-CD1 4.03Å; Y62-L66 HydrophobicContact CE1-CD1 3.4Å; Y62-L66 HydrophobicContact CE1-CG 4.28Å; Y62-L66 HydrophobicContact CE2-CD1 4.11Å; Y62-L66 HydrophobicContact CE2-CG 4.27Å; Y62-L66 VanDerWaalsContact CZ-CD1 3.45Å; Y62-L66 WeakPolarHBondContact O-CG 3.28Å; Y62-L66 PolarHBondContact O-N 3.37Å
63	T	90.6	Very high	88	Confident	25 Å²	25	62.5 Å²	62.5	15%	0.153	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-49.8	179.1	-56.2	0	0	0	0	111.2	R59 A60 V61 T65 L66 I67 R99	R59-T63 WeakPolarHBondContact O-CB 3.29Å; R59-T63 PolarHBondContact O-N 2.95Å; R59-T63 PolarHBondContact O-OG1 3.22Å; A60-T63 PolarHBondContact O-N 3.18Å; V61-T63 VanDerWaalsContact C-N 3.34Å; V61-T63 PolarHBondContact O-N 3.36Å; T63-T65 VanDerWaalsContact C-N 3.34Å; T63-T65 PolarHBondContact O-N 3.11Å; T63-L66 PolarHBondContact O-N 2.81Å; T63-I67 HydrophobicContact CG2-CD1 3.97Å; T63-I67 VanDerWaalsContact O-CG1 3.29Å; T63-I67 WeakPolarHBondContact O-CG1 3.36Å; T63-I67 PolarHBondContact O-N 3.32Å; T63-R99 HydrophobicContact CG2-CB 4.04Å; T63-R99 WeakPolarHBondContact CG2-O 3.49Å
64	G	88.5	Confident	88.5	Confident	17 Å²	17	60.6 Å²	60.6	18%	0.175	29%	0.287	C	S	.	.	H	α-helix	trans	-62.7	-38.9	178.7	0	0	0	0	0	113	A60 V61 I67 S68	A60-G64 PolarHBondContact O-N 2.83Å; V61-G64 PolarHBondContact O-N 3.02Å; G64-I67 PolarHBondContact O-N 2.92Å; G64-S68 VanDerWaalsContact O-CB 3.3Å; G64-S68 WeakPolarHBondContact O-CB 3.37Å; G64-S68 PolarHBondContact O-N 2.72Å
65	T	88.3	Confident	88.6	Confident	50 Å²	50	61.8 Å²	61.8	31%	0.307	29%	0.288	S	S	.	.	H	α-helix	trans	-65.4	-45.6	177.1	-57	0	0	0	0	111.3	V61 Y62 T63 I67 S68 M69	V61-T65 VanDerWaalsContact O-CB 3.26Å; V61-T65 WeakPolarHBondContact O-CB 3.24Å; V61-T65 PolarHBondContact O-N 3.42Å; V61-T65 PolarHBondContact O-OG1 3.05Å; Y62-T65 PolarHBondContact O-N 2.92Å; T63-T65 VanDerWaalsContact C-N 3.34Å; T63-T65 PolarHBondContact O-N 3.11Å; T65-I67 PolarHBondContact O-N 2.82Å; T65-S68 PolarHBondContact O-N 2.87Å; T65-M69 HydrophobicContact CG2-CE 3.56Å; T65-M69 HydrophobicContact CG2-CG 4.43Å; T65-M69 HydrophobicContact CG2-SD 4Å; T65-M69 WeakPolarHBondContact O-CB 3.44Å; T65-M69 VanDerWaalsContact O-CG 3.29Å; T65-M69 WeakPolarHBondContact O-CG 3.34Å; T65-M69 PolarHBondContact O-N 2.94Å
66	L	91.5	Very high	88.6	Confident	56 Å²	56	61.6 Å²	61.6	29%	0.293	30%	0.296	S	S	.	.	H	α-helix	trans	-61.5	-43.7	176.3	-75.7	-176.7	0	0	0	112.3	Y62 T63 M69 D70	Y62-L66 HydrophobicContact CD1-CD1 4.03Å; Y62-L66 HydrophobicContact CE1-CD1 3.4Å; Y62-L66 HydrophobicContact CE1-CG 4.28Å; Y62-L66 HydrophobicContact CE2-CD1 4.11Å; Y62-L66 HydrophobicContact CE2-CG 4.27Å; Y62-L66 VanDerWaalsContact CZ-CD1 3.45Å; Y62-L66 WeakPolarHBondContact O-CG 3.28Å; Y62-L66 PolarHBondContact O-N 3.37Å; T63-L66 PolarHBondContact O-N 2.81Å; L66-M69 PolarHBondContact O-N 3.42Å; L66-D70 WeakPolarHBondContact O-CB 3.18Å; L66-D70 PolarHBondContact O-N 3.04Å
67	I	90.9	Very high	88.8	Confident	21 Å²	21	65 Å²	65	11%	0.108	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-49.4	176.8	-69.3	169.4	0	0	0	109.8	T63 G64 T65 M69 D70 Y71 A96 R99 I100	T63-I67 HydrophobicContact CG2-CD1 3.97Å; T63-I67 VanDerWaalsContact O-CG1 3.29Å; T63-I67 WeakPolarHBondContact O-CG1 3.36Å; T63-I67 PolarHBondContact O-N 3.32Å; G64-I67 PolarHBondContact O-N 2.92Å; T65-I67 PolarHBondContact O-N 2.82Å; I67-M69 PolarHBondContact O-N 2.91Å; I67-D70 WeakPolarHBondContact O-CB 3.45Å; I67-D70 PolarHBondContact O-N 3.48Å; I67-D70 VanDerWaalsContact O-N 3.15Å; I67-Y71 HydrophobicContact CG2-CD2 3.71Å; I67-Y71 HydrophobicContact CG2-CE2 3.67Å; I67-Y71 WeakPolarHBondContact O-CD2 3.43Å; I67-Y71 PolarHBondContact O-N 3.4Å; I67-A96 HydrophobicContact CG1-CB 4.21Å; I67-A96 HydrophobicContact CG2-CB 3.82Å; I67-R99 HydrophobicContact CD1-CB 4Å; I67-R99 HydrophobicContact CG1-CB 4Å; I67-I100 HydrophobicContact CD1-CD1 4.34Å; I67-I100 HydrophobicContact CD1-CG1 3.6Å
68	S	87.3	Confident	88.8	Confident	4 Å²	4	64.5 Å²	64.5	3%	0.028	31%	0.312	C	S	.	.	H	α-helix	trans	-60.3	-42.8	-180	176.9	0	0	0	0	112.6	G64 T65 K72 M221 H222	G64-S68 VanDerWaalsContact O-CB 3.3Å; G64-S68 WeakPolarHBondContact O-CB 3.37Å; G64-S68 PolarHBondContact O-N 2.72Å; T65-S68 PolarHBondContact O-N 2.87Å; S68-K72 WeakPolarHBondContact O-CB 3.36Å; S68-K72 PolarHBondContact O-N 3.5Å; S68-M221 WeakPolarHBondContact OG-CE 3.46Å; S68-M221 PolarHBondContact OG-SD 3.3Å; S68-H222 PolarHBondContact O-CE1 3.31Å; S68-H222 PolarHBondContact O-NE2 2.8Å; S68-H222 PolarHBondContact OG-CD2 3.46Å; S68-H222 VanDerWaalsContact OG-CD2 3.27Å; S68-H222 PolarHBondContact OG-NE2 3.39Å
69	M	90	Very high	88.3	Confident	119 Å²	119	62.9 Å²	62.9	59%	0.586	31%	0.308	S	S	*	.	H	α-helix	trans	-64.4	-39.1	175.3	-72.5	176.8	176.1	0	0	112	T65 L66 I67 K72 W73	T65-M69 HydrophobicContact CG2-CE 3.56Å; T65-M69 HydrophobicContact CG2-CG 4.43Å; T65-M69 HydrophobicContact CG2-SD 4Å; T65-M69 WeakPolarHBondContact O-CB 3.44Å; T65-M69 VanDerWaalsContact O-CG 3.29Å; T65-M69 WeakPolarHBondContact O-CG 3.34Å; T65-M69 PolarHBondContact O-N 2.94Å; L66-M69 PolarHBondContact O-N 3.42Å; I67-M69 PolarHBondContact O-N 2.91Å; M69-K72 PolarHBondContact O-N 2.93Å; M69-W73 WeakPolarHBondContact O-CB 3.41Å; M69-W73 PolarHBondContact O-N 3.41Å
70	D	91.7	Very high	87.6	Confident	20 Å²	20	64.5 Å²	64.5	11%	0.107	32%	0.32	C	S	.	.	H	α-helix	trans	-65.3	-43.9	178.5	-159.3	-5.6	0	0	0	111.6	L66 I67 W73 T74 R95 R99	L66-D70 WeakPolarHBondContact O-CB 3.18Å; L66-D70 PolarHBondContact O-N 3.04Å; I67-D70 WeakPolarHBondContact O-CB 3.45Å; I67-D70 PolarHBondContact O-N 3.48Å; I67-D70 VanDerWaalsContact O-N 3.15Å; D70-W73 PolarHBondContact O-N 3.26Å; D70-T74 VanDerWaalsContact O-CB 3.3Å; D70-T74 WeakPolarHBondContact O-CB 3.13Å; D70-T74 PolarHBondContact O-N 3.42Å; D70-T74 PolarHBondContact O-OG1 3.35Å; D70-R95 IonicContact OD1-CZ 3.95Å; D70-R95 IonicContact OD1-NE 3.95Å; D70-R95 PolarHBondContact OD1-NE 3.21Å; D70-R95 IonicContact OD1-NH2 2.69Å; D70-R95 PolarHBondContact OD1-NH2 3.29Å; D70-R95 IonicContact OD2-CZ 3.19Å; D70-R95 IonicContact OD2-NE 3.77Å; D70-R95 PolarHBondContact OD2-NE 2.92Å; D70-R95 IonicContact OD2-NH2 3.56Å; D70-R99 IonicContact OD2-CZ 2.7Å; D70-R99 VanDerWaalsContact OD2-CZ 3.26Å; D70-R99 IonicContact OD2-NH1 3.69Å; D70-R99 PolarHBondContact OD2-NH1 2.98Å; D70-R99 IonicContact OD2-NH2 2.74Å; D70-R99 PolarHBondContact OD2-NH2 3.31Å
71	Y	87.5	Confident	87.1	Confident	8 Å²	8	67.9 Å²	67.9	3%	0.031	36%	0.356	C	S	.	.	H	α-helix	trans	-62	-48.9	172.8	-86.8	-74.9	0	0	0	111.9	I67 W73 T74 M75 L89 H93 A96 Y129 F225	I67-Y71 HydrophobicContact CG2-CD2 3.71Å; I67-Y71 HydrophobicContact CG2-CE2 3.67Å; I67-Y71 WeakPolarHBondContact O-CD2 3.43Å; I67-Y71 PolarHBondContact O-N 3.4Å; Y71-W73 VanDerWaalsContact C-N 3.28Å; Y71-W73 PolarHBondContact O-N 2.97Å; Y71-T74 PolarHBondContact O-N 3.5Å; Y71-M75 HydrophobicContact CD1-CE 4.05Å; Y71-M75 WeakPolarHBondContact O-CB 3.27Å; Y71-M75 WeakPolarHBondContact O-CG 3.48Å; Y71-M75 PolarHBondContact O-N 3.06Å; Y71-L89 HydrophobicContact CD1-CD1 4.39Å; Y71-L89 HydrophobicContact CE1-CD1 4.13Å; Y71-H93 AromaticContact CE1-CE1 3.81Å; Y71-H93 AromaticContact CE1-ND1 3.61Å; Y71-H93 AromaticContact CZ-ND1 3.57Å; Y71-H93 PolarHBondContact OH-CE1 3.43Å; Y71-H93 PolarHBondContact OH-ND1 3.24Å; Y71-A96 HydrophobicContact CE2-CB 3.82Å; Y71-Y129 PolarHBondContact OH-OH 2.9Å; Y71-F225 AromaticContact CD1-CZ 3.98Å; Y71-F225 HydrophobicContact CD1-CZ 3.98Å; Y71-F225 HydrophobicContact CE1-CE1 4.46Å; Y71-F225 AromaticContact CE1-CZ 3.9Å; Y71-F225 HydrophobicContact CE1-CZ 3.9Å; Y71-F225 HydrophobicContact CG-CZ 4.49Å
72	K	87.1	Confident	86.7	Confident	128 Å²	128	68 Å²	68	56%	0.557	36%	0.358	S	S	*	.	H	α-helix	trans	-59.6	-43.3	-179.8	-171.7	169.6	-176.9	170.5	0	111	S68 M69 T76	S68-K72 WeakPolarHBondContact O-CB 3.36Å; S68-K72 PolarHBondContact O-N 3.5Å; M69-K72 PolarHBondContact O-N 2.93Å; K72-T76 VanDerWaalsContact O-CB 3.27Å; K72-T76 WeakPolarHBondContact O-CB 3.26Å; K72-T76 PolarHBondContact O-N 3.35Å; K72-T76 VanDerWaalsContact O-N 3.07Å; K72-T76 PolarHBondContact O-OG1 2.98Å
73	W	90.4	Very high	86.2	Confident	180 Å²	180	69.2 Å²	69.2	68%	0.682	37%	0.37	S	S	*	.	H	α-helix	trans	-63.2	-50.9	176.6	-176.4	-91.2	0	0	0	111.7	M69 D70 Y71 M75 T76 I77	M69-W73 WeakPolarHBondContact O-CB 3.41Å; M69-W73 PolarHBondContact O-N 3.41Å; D70-W73 PolarHBondContact O-N 3.26Å; Y71-W73 VanDerWaalsContact C-N 3.28Å; Y71-W73 PolarHBondContact O-N 2.97Å; W73-M75 PolarHBondContact O-N 3.05Å; W73-T76 PolarHBondContact O-N 2.95Å; W73-I77 HydrophobicContact CD2-CD1 4.08Å; W73-I77 HydrophobicContact CG-CD1 4.25Å; W73-I77 HydrophobicContact CZ2-CD1 3.74Å; W73-I77 WeakPolarHBondContact O-CG1 3.49Å; W73-I77 PolarHBondContact O-N 3.05Å
74	T	88.4	Confident	85.9	Confident	5 Å²	5	72.8 Å²	72.8	3%	0.031	38%	0.384	C	S	.	.	H	α-helix	trans	-60.1	-48.3	-179	-57.2	0	0	0	0	111.3	D70 Y71 T76 I77 F78 E88 C92 R95	D70-T74 VanDerWaalsContact O-CB 3.3Å; D70-T74 WeakPolarHBondContact O-CB 3.13Å; D70-T74 PolarHBondContact O-N 3.42Å; D70-T74 PolarHBondContact O-OG1 3.35Å; Y71-T74 PolarHBondContact O-N 3.5Å; T74-T76 VanDerWaalsContact C-N 3.29Å; T74-T76 PolarHBondContact O-N 3.46Å; T74-I77 PolarHBondContact O-N 2.89Å; T74-F78 HydrophobicContact CG2-CD2 4.31Å; T74-F78 PolarHBondContact O-N 2.9Å; T74-E88 HydrophobicContact CG2-CB 4.15Å; T74-C92 HydrophobicContact CG2-CB 4.02Å; T74-R95 PolarHBondContact OG1-NH2 3.42Å
75	M	83.6	Confident	85.5	Confident	55 Å²	55	72.9 Å²	72.9	27%	0.271	38%	0.379	S	S	.	.	H	α-helix	trans	-70.4	-22.7	-179.8	-68.2	175.8	164.6	0	0	113.5	Y71 W73 L89 F225	Y71-M75 HydrophobicContact CD1-CE 4.05Å; Y71-M75 WeakPolarHBondContact O-CB 3.27Å; Y71-M75 WeakPolarHBondContact O-CG 3.48Å; Y71-M75 PolarHBondContact O-N 3.06Å; W73-M75 PolarHBondContact O-N 3.05Å; M75-L89 HydrophobicContact CE-CD1 3.83Å; M75-F225 HydrophobicContact CE-CE2 3.93Å; M75-F225 HydrophobicContact CE-CZ 4.16Å
76	T	86.6	Confident	85.1	Confident	107 Å²	107	76 Å²	76	66%	0.656	39%	0.394	S	S	*	.	H	α-helix	trans	-79.5	-39.3	174.8	-57.4	0	0	0	0	111.5	K72 W73 T74	K72-T76 VanDerWaalsContact O-CB 3.27Å; K72-T76 WeakPolarHBondContact O-CB 3.26Å; K72-T76 PolarHBondContact O-N 3.35Å; K72-T76 VanDerWaalsContact O-N 3.07Å; K72-T76 PolarHBondContact O-OG1 2.98Å; W73-T76 PolarHBondContact O-N 2.95Å; T74-T76 VanDerWaalsContact C-N 3.29Å; T74-T76 PolarHBondContact O-N 3.46Å
77	I	89.3	Confident	84.9	Confident	83 Å²	83	78 Å²	78	43%	0.426	41%	0.405	S	S	.	.	H	α-helix	trans	-76.9	-40.7	179.8	-66.4	-177.7	0	0	0	111.3	W73 T74 P79	W73-I77 HydrophobicContact CD2-CD1 4.08Å; W73-I77 HydrophobicContact CG-CD1 4.25Å; W73-I77 HydrophobicContact CZ2-CD1 3.74Å; W73-I77 WeakPolarHBondContact O-CG1 3.49Å; W73-I77 PolarHBondContact O-N 3.05Å; T74-I77 PolarHBondContact O-N 2.89Å; I77-P79 VanDerWaalsContact O-CD 3.26Å; I77-P79 WeakPolarHBondContact O-CD 3.49Å
78	F	87	Confident	84.8	Confident	56 Å²	56	79 Å²	79	25%	0.246	41%	0.409	C	S	.	.	S	Bend	trans	-114.2	88.2	179.3	-53.9	-76.2	0	0	0	107.4	T74 H84 Y85 E88	T74-F78 HydrophobicContact CG2-CD2 4.31Å; T74-F78 PolarHBondContact O-N 2.9Å; F78-H84 HydrophobicContact CD1-CB 4.31Å; F78-H84 HydrophobicContact CE1-CB 4.4Å; F78-Y85 HydrophobicContact CB-CD2 4.39Å; F78-Y85 WeakPolarHBondContact O-CD2 3.26Å; F78-Y85 WeakPolarHBondContact O-CE2 3.33Å; F78-E88 HydrophobicContact CD1-CG 4.2Å; F78-E88 HydrophobicContact CD2-CB 3.66Å; F78-E88 HydrophobicContact CD2-CG 3.77Å; F78-E88 HydrophobicContact CE1-CG 4.03Å; F78-E88 HydrophobicContact CE2-CB 3.92Å; F78-E88 HydrophobicContact CE2-CG 3.58Å; F78-E88 HydrophobicContact CG-CB 4.05Å; F78-E88 HydrophobicContact CG-CG 4.08Å; F78-E88 HydrophobicContact CZ-CG 3.72Å
79	P	79.8	Confident	84.8	Confident	75 Å²	75	79.9 Å²	79.9	49%	0.487	41%	0.413	S	S	.	.			trans	-67.3	156.5	175.2	26.7	-33.1	0	0	0	110.5	I77 G81 S82	I77-P79 VanDerWaalsContact O-CD 3.26Å; I77-P79 WeakPolarHBondContact O-CD 3.49Å; P79-G81 PolarHBondContact O-N 2.93Å; P79-S82 WeakPolarHBondContact O-CB 3.04Å; P79-S82 PolarHBondContact O-N 2.74Å; P79-S82 VanDerWaalsContact O-N 3.07Å; P79-S82 PolarHBondContact O-OG 3Å
80	H	75.6	Confident	84.7	Confident	146 Å²	146	75.8 Å²	75.8	68%	0.676	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.9	129.7	174.1	-82.8	-56.8	0	0	0	111.1	Y85	H80-Y85 AromaticContact CE1-CE1 3.5Å; H80-Y85 VanDerWaalsContact CE1-CE1 3.5Å; H80-Y85 WeakPolarHBondContact CE1-CE1 3.44Å; H80-Y85 AromaticContact CE1-CZ 3.22Å; H80-Y85 PolarHBondContact CE1-OH 2.87Å; H80-Y85 AromaticContact CG-CZ 3.98Å; H80-Y85 AromaticContact ND1-CD1 3.85Å; H80-Y85 AromaticContact ND1-CE1 3.12Å; H80-Y85 WeakPolarHBondContact ND1-CE1 3.24Å; H80-Y85 AromaticContact ND1-CE2 3.68Å; H80-Y85 AromaticContact ND1-CZ 3.05Å; H80-Y85 PolarHBondContact ND1-OH 3.39Å
81	G	76.2	Confident	84.7	Confident	80 Å²	80	79.8 Å²	79.8	83%	0.825	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	-5.7	-178.7	0	0	0	0	0	115.2	P79	P79-G81 PolarHBondContact O-N 2.93Å
82	S	79.7	Confident	84.9	Confident	40 Å²	40	79.4 Å²	79.4	28%	0.28	41%	0.413	S	S	.	.			trans	-68.8	147.5	169.6	58.5	0	0	0	0	111.7	P79 H84 Y85	P79-S82 WeakPolarHBondContact O-CB 3.04Å; P79-S82 PolarHBondContact O-N 2.74Å; P79-S82 VanDerWaalsContact O-N 3.07Å; P79-S82 PolarHBondContact O-OG 3Å; S82-H84 PolarHBondContact O-N 2.86Å; S82-H84 VanDerWaalsContact O-N 3.15Å; S82-Y85 WeakPolarHBondContact O-CB 3.49Å; S82-Y85 PolarHBondContact O-N 3.49Å; S82-Y85 WeakPolarHBondContact OG-CB 3.44Å
83	E	80.9	Confident	85	Confident	179 Å²	179	74.5 Å²	74.5	84%	0.836	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-36.1	-176	-172.7	176.4	-179.1	0	0	112.8
84	H	84.3	Confident	85.2	Confident	100 Å²	100	68.9 Å²	68.9	46%	0.463	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	6	179.9	-62.8	-61.4	0	0	0	114.3	F78 S82 L86 D87 E88	F78-H84 HydrophobicContact CD1-CB 4.31Å; F78-H84 HydrophobicContact CE1-CB 4.4Å; S82-H84 PolarHBondContact O-N 2.86Å; S82-H84 VanDerWaalsContact O-N 3.15Å; H84-L86 PolarHBondContact O-N 2.69Å; H84-D87 PolarHBondContact O-N 3.39Å; H84-E88 HydrophobicContact CB-CG 4.32Å; H84-E88 WeakPolarHBondContact O-CB 3.5Å; H84-E88 WeakPolarHBondContact O-CG 3.28Å; H84-E88 PolarHBondContact O-N 3.17Å
85	Y	79.5	Confident	85.5	Confident	18 Å²	18	72.5 Å²	72.5	7%	0.071	39%	0.386	C	S	.	.	H	α-helix	trans	-53.9	-51.6	-174.7	178.5	-104.8	0	0	0	112.4	F78 H80 S82 L89	F78-Y85 HydrophobicContact CB-CD2 4.39Å; F78-Y85 WeakPolarHBondContact O-CD2 3.26Å; F78-Y85 WeakPolarHBondContact O-CE2 3.33Å; H80-Y85 AromaticContact CE1-CE1 3.5Å; H80-Y85 VanDerWaalsContact CE1-CE1 3.5Å; H80-Y85 WeakPolarHBondContact CE1-CE1 3.44Å; H80-Y85 AromaticContact CE1-CZ 3.22Å; H80-Y85 PolarHBondContact CE1-OH 2.87Å; H80-Y85 AromaticContact CG-CZ 3.98Å; H80-Y85 AromaticContact ND1-CD1 3.85Å; H80-Y85 AromaticContact ND1-CE1 3.12Å; H80-Y85 WeakPolarHBondContact ND1-CE1 3.24Å; H80-Y85 AromaticContact ND1-CE2 3.68Å; H80-Y85 AromaticContact ND1-CZ 3.05Å; H80-Y85 PolarHBondContact ND1-OH 3.39Å; S82-Y85 WeakPolarHBondContact O-CB 3.49Å; S82-Y85 PolarHBondContact O-N 3.49Å; S82-Y85 WeakPolarHBondContact OG-CB 3.44Å; Y85-L89 HydrophobicContact CE1-CD2 3.82Å; Y85-L89 WeakPolarHBondContact O-CB 3.31Å; Y85-L89 PolarHBondContact O-N 3.06Å
86	L	80	Confident	86	Confident	116 Å²	116	69.9 Å²	69.9	61%	0.607	37%	0.373	S	S	*	.	H	α-helix	trans	-67.8	-41.4	-174.9	-66.1	176.3	0	0	0	112	H84 L89 A90	H84-L86 PolarHBondContact O-N 2.69Å; L86-L89 PolarHBondContact O-N 2.76Å; L86-A90 VanDerWaalsContact O-CB 3.3Å; L86-A90 WeakPolarHBondContact O-CB 3.08Å; L86-A90 PolarHBondContact O-N 2.74Å
87	D	87.4	Confident	86.3	Confident	99 Å²	99	64.8 Å²	64.8	53%	0.529	34%	0.342	S	S	.	.	H	α-helix	trans	-65.3	-44.2	179.4	-72.5	-12.2	0	0	0	111.4	H84 A90 K91	H84-D87 PolarHBondContact O-N 3.39Å; D87-A90 PolarHBondContact O-N 2.78Å; D87-K91 VanDerWaalsContact O-CG 3.29Å; D87-K91 WeakPolarHBondContact O-CG 3.12Å; D87-K91 PolarHBondContact O-N 2.84Å
88	E	89	Confident	86.5	Confident	42 Å²	42	63.5 Å²	63.5	20%	0.196	34%	0.336	C	S	.	.	H	α-helix	trans	-72.4	-35	179.2	-67.8	-59.9	137.9	0	0	112.1	T74 F78 H84 K91 C92	T74-E88 HydrophobicContact CG2-CB 4.15Å; F78-E88 HydrophobicContact CD1-CG 4.2Å; F78-E88 HydrophobicContact CD2-CB 3.66Å; F78-E88 HydrophobicContact CD2-CG 3.77Å; F78-E88 HydrophobicContact CE1-CG 4.03Å; F78-E88 HydrophobicContact CE2-CB 3.92Å; F78-E88 HydrophobicContact CE2-CG 3.58Å; F78-E88 HydrophobicContact CG-CB 4.05Å; F78-E88 HydrophobicContact CG-CG 4.08Å; F78-E88 HydrophobicContact CZ-CG 3.72Å; H84-E88 HydrophobicContact CB-CG 4.32Å; H84-E88 WeakPolarHBondContact O-CB 3.5Å; H84-E88 WeakPolarHBondContact O-CG 3.28Å; H84-E88 PolarHBondContact O-N 3.17Å; E88-K91 PolarHBondContact O-N 2.88Å; E88-K91 IonicContact OE1-NZ 2.67Å; E88-K91 PolarHBondContact OE1-NZ 3.46Å; E88-C92 WeakPolarHBondContact O-CB 3.18Å; E88-C92 PolarHBondContact O-N 2.92Å
89	L	86.3	Confident	86.9	Confident	22 Å²	22	64 Å²	64	12%	0.115	34%	0.337	C	S	.	.	H	α-helix	trans	-64.4	-44.4	171.9	-174.2	70.5	0	0	0	111.3	Y71 M75 Y85 L86 K91 C92 H93	Y71-L89 HydrophobicContact CD1-CD1 4.39Å; Y71-L89 HydrophobicContact CE1-CD1 4.13Å; M75-L89 HydrophobicContact CE-CD1 3.83Å; Y85-L89 HydrophobicContact CE1-CD2 3.82Å; Y85-L89 WeakPolarHBondContact O-CB 3.31Å; Y85-L89 PolarHBondContact O-N 3.06Å; L86-L89 PolarHBondContact O-N 2.76Å; L89-K91 VanDerWaalsContact C-N 3.33Å; L89-K91 PolarHBondContact O-N 2.9Å; L89-C92 CarbonylContact O-C 3.52Å; L89-C92 WeakPolarHBondContact O-CA 3.45Å; L89-C92 WeakPolarHBondContact O-CB 3.48Å; L89-C92 PolarHBondContact O-N 3.35Å; L89-H93 WeakPolarHBondContact CG-NE2 3.43Å; L89-H93 PolarHBondContact O-CD2 2.66Å; L89-H93 VanDerWaalsContact O-CG 3.31Å; L89-H93 PolarHBondContact O-N 3.46Å
90	A	87.8	Confident	87.5	Confident	32 Å²	32	62.4 Å²	62.4	26%	0.264	32%	0.323	S	S	.	.	H	α-helix	trans	-61	-41	175.9	0	0	0	0	0	111.8	L86 D87 C92 H93 Q94	L86-A90 VanDerWaalsContact O-CB 3.3Å; L86-A90 WeakPolarHBondContact O-CB 3.08Å; L86-A90 PolarHBondContact O-N 2.74Å; D87-A90 PolarHBondContact O-N 2.78Å; A90-C92 VanDerWaalsContact C-N 3.33Å; A90-C92 PolarHBondContact O-N 3.04Å; A90-H93 WeakPolarHBondContact O-CB 3.44Å; A90-H93 PolarHBondContact O-N 2.82Å; A90-Q94 PolarHBondContact O-N 2.82Å
91	K	92.1	Very high	88.3	Confident	104 Å²	104	56.3 Å²	56.3	45%	0.452	30%	0.296	S	S	.	.	H	α-helix	trans	-62.9	-39.5	172	-69	169.9	-166.7	170.3	0	111.6	D87 E88 L89 Q94 R95	D87-K91 VanDerWaalsContact O-CG 3.29Å; D87-K91 WeakPolarHBondContact O-CG 3.12Å; D87-K91 PolarHBondContact O-N 2.84Å; E88-K91 PolarHBondContact O-N 2.88Å; E88-K91 IonicContact OE1-NZ 2.67Å; E88-K91 PolarHBondContact OE1-NZ 3.46Å; L89-K91 VanDerWaalsContact C-N 3.33Å; L89-K91 PolarHBondContact O-N 2.9Å; K91-Q94 PolarHBondContact O-N 2.78Å; K91-R95 WeakPolarHBondContact O-CG 3.37Å; K91-R95 PolarHBondContact O-N 3.27Å; K91-R95 PolarHBondContact O-NH1 3.2Å
92	C	91.6	Very high	89	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-45.1	174.8	-173.9	0	0	0	0	111.6	T74 E88 L89 A90 Q94 R95 A96	T74-C92 HydrophobicContact CG2-CB 4.02Å; E88-C92 WeakPolarHBondContact O-CB 3.18Å; E88-C92 PolarHBondContact O-N 2.92Å; L89-C92 CarbonylContact O-C 3.52Å; L89-C92 WeakPolarHBondContact O-CA 3.45Å; L89-C92 WeakPolarHBondContact O-CB 3.48Å; L89-C92 PolarHBondContact O-N 3.35Å; A90-C92 VanDerWaalsContact C-N 3.33Å; A90-C92 PolarHBondContact O-N 3.04Å; C92-Q94 VanDerWaalsContact C-N 3.33Å; C92-Q94 PolarHBondContact O-N 3.41Å; C92-R95 PolarHBondContact O-N 3.02Å; C92-A96 WeakPolarHBondContact O-CB 3.38Å; C92-A96 PolarHBondContact O-N 2.89Å
93	H	89.9	Confident	89.5	Confident	26 Å²	26	57.1 Å²	57.1	12%	0.12	27%	0.274	C	S	.	.	H	α-helix	trans	-55.2	-47.2	173	-66.4	-33.8	0	0	0	111.3	Y71 L89 A90 A96 A97 P126 Q128 Y129	Y71-H93 AromaticContact CE1-CE1 3.81Å; Y71-H93 AromaticContact CE1-ND1 3.61Å; Y71-H93 AromaticContact CZ-ND1 3.57Å; Y71-H93 PolarHBondContact OH-CE1 3.43Å; Y71-H93 PolarHBondContact OH-ND1 3.24Å; L89-H93 WeakPolarHBondContact CG-NE2 3.43Å; L89-H93 PolarHBondContact O-CD2 2.66Å; L89-H93 VanDerWaalsContact O-CG 3.31Å; L89-H93 PolarHBondContact O-N 3.46Å; A90-H93 WeakPolarHBondContact O-CB 3.44Å; A90-H93 PolarHBondContact O-N 2.82Å; H93-A96 PolarHBondContact O-N 3.28Å; H93-A97 WeakPolarHBondContact O-CB 3.48Å; H93-A97 PolarHBondContact O-N 3.41Å; H93-P126 HydrophobicContact CB-CB 4.48Å; H93-Q128 HydrophobicContact CB-CB 4.07Å; H93-Q128 HydrophobicContact CB-CG 4.2Å; H93-Y129 HydrophobicContact CB-CD2 4.46Å; H93-Y129 HydrophobicContact CB-CE2 4.01Å; H93-Y129 AromaticContact ND1-CE2 3.92Å
94	Q	94.6	Very high	89.9	Confident	62 Å²	62	49 Å²	49	29%	0.29	24%	0.237	S	C	.	.	H	α-helix	trans	-61.1	-48.9	178	-172.2	58.9	50.9	0	0	112.3	A90 K91 C92 A96 A97 D98 Q128 T132	A90-Q94 PolarHBondContact O-N 2.82Å; K91-Q94 PolarHBondContact O-N 2.78Å; C92-Q94 VanDerWaalsContact C-N 3.33Å; C92-Q94 PolarHBondContact O-N 3.41Å; Q94-A96 VanDerWaalsContact C-N 3.27Å; Q94-A96 PolarHBondContact O-N 2.88Å; Q94-A97 PolarHBondContact O-N 2.78Å; Q94-D98 PolarHBondContact NE2-OD1 2.77Å; Q94-D98 PolarHBondContact O-N 2.9Å; Q94-Q128 HydrophobicContact CB-CB 4.38Å; Q94-Q128 HydrophobicContact CB-CG 4.22Å; Q94-T132 PolarHBondContact NE2-OG1 3.4Å
95	R	95.3	Very high	90	Very high	80 Å²	80	47.2 Å²	47.2	30%	0.302	23%	0.23	S	C	.	.	H	α-helix	trans	-61.4	-37.4	177.3	-68.3	-171	-58	-89.8	6.5	111.8	D70 T74 K91 C92 R99	D70-R95 IonicContact OD1-CZ 3.95Å; D70-R95 IonicContact OD1-NE 3.95Å; D70-R95 PolarHBondContact OD1-NE 3.21Å; D70-R95 IonicContact OD1-NH2 2.69Å; D70-R95 PolarHBondContact OD1-NH2 3.29Å; D70-R95 IonicContact OD2-CZ 3.19Å; D70-R95 IonicContact OD2-NE 3.77Å; D70-R95 PolarHBondContact OD2-NE 2.92Å; D70-R95 IonicContact OD2-NH2 3.56Å; T74-R95 PolarHBondContact OG1-NH2 3.42Å; K91-R95 WeakPolarHBondContact O-CG 3.37Å; K91-R95 PolarHBondContact O-N 3.27Å; K91-R95 PolarHBondContact O-NH1 3.2Å; C92-R95 PolarHBondContact O-N 3.02Å; R95-R99 VanDerWaalsContact O-CG 3.28Å; R95-R99 WeakPolarHBondContact O-CG 3.18Å; R95-R99 PolarHBondContact O-N 2.87Å; R95-R99 PolarHBondContact O-NH1 3.46Å
96	A	92.7	Very high	90.3	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68	-45.2	176.8	0	0	0	0	0	111.5	I67 Y71 C92 H93 Q94 D98 R99 I100 Y129	I67-A96 HydrophobicContact CG1-CB 4.21Å; I67-A96 HydrophobicContact CG2-CB 3.82Å; Y71-A96 HydrophobicContact CE2-CB 3.82Å; C92-A96 WeakPolarHBondContact O-CB 3.38Å; C92-A96 PolarHBondContact O-N 2.89Å; H93-A96 PolarHBondContact O-N 3.28Å; Q94-A96 VanDerWaalsContact C-N 3.27Å; Q94-A96 PolarHBondContact O-N 2.88Å; A96-D98 PolarHBondContact O-N 3.4Å; A96-R99 PolarHBondContact O-N 2.72Å; A96-R99 VanDerWaalsContact O-N 3.16Å; A96-I100 WeakPolarHBondContact O-CG1 3.28Å; A96-I100 PolarHBondContact O-N 3.13Å; A96-Y129 HydrophobicContact CB-CE1 4.19Å; A96-Y129 WeakPolarHBondContact CB-OH 3.48Å
97	A	92.5	Very high	90.5	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.1	-45	175.9	0	0	0	0	0	112.1	H93 Q94 R99 I100 L101 Q128 Y129 T132	H93-A97 WeakPolarHBondContact O-CB 3.48Å; H93-A97 PolarHBondContact O-N 3.41Å; Q94-A97 PolarHBondContact O-N 2.78Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 2.95Å; A97-I100 PolarHBondContact O-N 2.98Å; A97-L101 WeakPolarHBondContact O-CB 3.49Å; A97-L101 PolarHBondContact O-N 3.5Å; A97-Q128 WeakPolarHBondContact CB-O 3.47Å; A97-Y129 HydrophobicContact CB-CD1 3.81Å; A97-Y129 HydrophobicContact CB-CE1 4.21Å; A97-Y129 HydrophobicContact CB-CG 4.11Å; A97-T132 HydrophobicContact CB-CG2 4Å
98	D	95.5	Very high	90.2	Very high	57 Å²	57	45 Å²	45	31%	0.305	21%	0.213	S	C	.	.	H	α-helix	trans	-62.6	-37.1	176.5	-71.7	-32.7	0	0	0	112.6	Q94 A96 K102 T132	Q94-D98 PolarHBondContact NE2-OD1 2.77Å; Q94-D98 PolarHBondContact O-N 2.9Å; A96-D98 PolarHBondContact O-N 3.4Å; D98-K102 WeakPolarHBondContact O-CB 3.45Å; D98-K102 WeakPolarHBondContact O-CG 3.41Å; D98-K102 PolarHBondContact O-N 3.17Å; D98-T132 WeakPolarHBondContact OD1-CG2 3.49Å
99	R	94.2	Very high	89.6	Confident	66 Å²	66	43.5 Å²	43.5	25%	0.249	21%	0.209	C	C	.	.	H	α-helix	trans	-69.1	-41.5	175.7	-75.1	-177.4	-163.5	109.7	-9.3	111.6	T63 I67 D70 R95 A96 A97 K102 G103	T63-R99 HydrophobicContact CG2-CB 4.04Å; T63-R99 WeakPolarHBondContact CG2-O 3.49Å; I67-R99 HydrophobicContact CD1-CB 4Å; I67-R99 HydrophobicContact CG1-CB 4Å; D70-R99 IonicContact OD2-CZ 2.7Å; D70-R99 VanDerWaalsContact OD2-CZ 3.26Å; D70-R99 IonicContact OD2-NH1 3.69Å; D70-R99 PolarHBondContact OD2-NH1 2.98Å; D70-R99 IonicContact OD2-NH2 2.74Å; D70-R99 PolarHBondContact OD2-NH2 3.31Å; R95-R99 VanDerWaalsContact O-CG 3.28Å; R95-R99 WeakPolarHBondContact O-CG 3.18Å; R95-R99 PolarHBondContact O-N 2.87Å; R95-R99 PolarHBondContact O-NH1 3.46Å; A96-R99 PolarHBondContact O-N 2.72Å; A96-R99 VanDerWaalsContact O-N 3.16Å; A97-R99 VanDerWaalsContact C-N 3.31Å; A97-R99 PolarHBondContact O-N 2.95Å; R99-K102 PolarHBondContact O-N 3.31Å; R99-G103 PolarHBondContact O-N 3.44Å
100	I	91.8	Very high	89.3	Confident	41 Å²	41	42.8 Å²	42.8	21%	0.21	21%	0.205	C	C	.	.	H	α-helix	trans	-62.2	-49.1	174.2	-65.2	-176	0	0	0	109.9	I67 A96 A97 K102 G103 C104 Y129 L133	I67-I100 HydrophobicContact CD1-CD1 4.34Å; I67-I100 HydrophobicContact CD1-CG1 3.6Å; A96-I100 WeakPolarHBondContact O-CG1 3.28Å; A96-I100 PolarHBondContact O-N 3.13Å; A97-I100 PolarHBondContact O-N 2.98Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 2.95Å; I100-G103 CarbonylContact O-C 3.57Å; I100-G103 WeakPolarHBondContact O-CA 3.41Å; I100-G103 PolarHBondContact O-N 2.89Å; I100-C104 PolarHBondContact O-N 2.95Å; I100-C104 PolarHBondContact O-SG 3.35Å; I100-Y129 HydrophobicContact CD1-CD1 4.12Å; I100-Y129 HydrophobicContact CD1-CE1 3.63Å; I100-L133 HydrophobicContact CB-CD2 4.29Å; I100-L133 HydrophobicContact CG2-CD1 4.33Å; I100-L133 HydrophobicContact CG2-CD2 3.77Å
101	L	92.4	Very high	89.2	Confident	18 Å²	18	41.9 Å²	41.9	9%	0.094	20%	0.195	C	C	.	.	H	α-helix	trans	-52.9	-51.5	177.3	176.1	64.9	0	0	0	111.1	A97 G103 C104 L105 T132 L133 K135 L136	A97-L101 WeakPolarHBondContact O-CB 3.49Å; A97-L101 PolarHBondContact O-N 3.5Å; L101-G103 VanDerWaalsContact C-N 3.34Å; L101-G103 PolarHBondContact O-N 3.2Å; L101-C104 PolarHBondContact O-N 2.98Å; L101-L105 HydrophobicContact CD1-CD1 4.28Å; L101-L105 HydrophobicContact CD1-CG 4.38Å; L101-L105 HydrophobicContact CG-CD1 4.32Å; L101-L105 VanDerWaalsContact O-CG 3.31Å; L101-L105 WeakPolarHBondContact O-CG 3.3Å; L101-L105 PolarHBondContact O-N 3.32Å; L101-T132 HydrophobicContact CB-CG2 4.05Å; L101-T132 HydrophobicContact CD2-CG2 3.81Å; L101-L133 HydrophobicContact CB-CD2 4.12Å; L101-K135 HydrophobicContact CD1-CB 4.27Å; L101-K135 HydrophobicContact CD2-CB 4.46Å; L101-K135 HydrophobicContact CD2-CD 3.82Å; L101-L136 HydrophobicContact CD1-CD1 4.35Å; L101-L136 HydrophobicContact CD1-CD2 3.59Å; L101-L136 HydrophobicContact CD1-CG 3.65Å
102	K	92.6	Very high	88.8	Confident	129 Å²	129	37.2 Å²	37.2	56%	0.561	18%	0.175	S	C	*	.	H	α-helix	trans	-58.7	-44.2	176.2	-74.6	174.9	-178.1	175.9	0	112	D98 R99 I100 C104 L105 Y106	D98-K102 WeakPolarHBondContact O-CB 3.45Å; D98-K102 WeakPolarHBondContact O-CG 3.41Å; D98-K102 PolarHBondContact O-N 3.17Å; R99-K102 PolarHBondContact O-N 3.31Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 2.95Å; K102-C104 PolarHBondContact O-N 2.88Å; K102-L105 PolarHBondContact O-N 3.45Å; K102-Y106 HydrophobicContact CB-CD2 4.36Å; K102-Y106 HydrophobicContact CB-CE2 4.21Å; K102-Y106 WeakPolarHBondContact O-CB 3.39Å; K102-Y106 WeakPolarHBondContact O-CD2 3.28Å; K102-Y106 PolarHBondContact O-N 3.39Å
103	G	90.2	Very high	88.2	Confident	9 Å²	9	38.7 Å²	38.7	9%	0.093	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-45	176.5	0	0	0	0	0	112.6	R99 I100 L101 Y106 N107	R99-G103 PolarHBondContact O-N 3.44Å; I100-G103 CarbonylContact O-C 3.57Å; I100-G103 WeakPolarHBondContact O-CA 3.41Å; I100-G103 PolarHBondContact O-N 2.89Å; L101-G103 VanDerWaalsContact C-N 3.34Å; L101-G103 PolarHBondContact O-N 3.2Å; G103-Y106 PolarHBondContact O-N 3.16Å; G103-N107 WeakPolarHBondContact O-CB 3.22Å; G103-N107 PolarHBondContact O-N 3.44Å
104	C	88.6	Confident	87.9	Confident	8 Å²	8	38.2 Å²	38.2	5%	0.054	18%	0.179	C	C	.	.	H	α-helix	trans	-60.4	-46.3	176.4	-67.1	0	0	0	0	111.9	I100 L101 K102 N107 G108 Y111 I112 L136	I100-C104 PolarHBondContact O-N 2.95Å; I100-C104 PolarHBondContact O-SG 3.35Å; L101-C104 PolarHBondContact O-N 2.98Å; K102-C104 PolarHBondContact O-N 2.88Å; C104-N107 PolarHBondContact O-N 2.95Å; C104-G108 PolarHBondContact O-N 2.87Å; C104-Y111 PolarHBondContact SG-O 3.46Å; C104-I112 WeakPolarHBondContact O-CG1 3.47Å; C104-L136 HydrophobicContact CB-CD1 3.97Å; C104-L136 HydrophobicContact CB-CD2 4.02Å
105	L	86.9	Confident	87.4	Confident	62 Å²	62	35.3 Å²	35.3	33%	0.325	17%	0.166	S	C	.	.	H	α-helix	trans	-66.5	-39.8	179.2	-65.1	-177.7	0	0	0	113	L101 K102 I112 L136 Q139	L101-L105 HydrophobicContact CD1-CD1 4.28Å; L101-L105 HydrophobicContact CD1-CG 4.38Å; L101-L105 HydrophobicContact CG-CD1 4.32Å; L101-L105 VanDerWaalsContact O-CG 3.31Å; L101-L105 WeakPolarHBondContact O-CG 3.3Å; L101-L105 PolarHBondContact O-N 3.32Å; K102-L105 PolarHBondContact O-N 3.45Å; L105-I112 HydrophobicContact CD2-CD1 4.44Å; L105-L136 HydrophobicContact CD2-CD2 3.48Å; L105-L136 VanDerWaalsContact CD2-CD2 3.48Å; L105-L136 HydrophobicContact CG-CD2 4.05Å; L105-Q139 VanDerWaalsContact CD2-CD 3.46Å
106	Y	86.1	Confident	86.7	Confident	158 Å²	158	32.3 Å²	32.3	62%	0.62	16%	0.156	S	C	*	.	H	α-helix	trans	-72.2	-28.4	179.1	-75.7	-52	0	0	0	114.1	R59 K102 G103	R59-Y106 PolarHBondContact NH1-O 3.04Å; K102-Y106 HydrophobicContact CB-CD2 4.36Å; K102-Y106 HydrophobicContact CB-CE2 4.21Å; K102-Y106 WeakPolarHBondContact O-CB 3.39Å; K102-Y106 WeakPolarHBondContact O-CD2 3.28Å; K102-Y106 PolarHBondContact O-N 3.39Å; G103-Y106 PolarHBondContact O-N 3.16Å
107	N	83.4	Confident	86	Confident	14 Å²	14	33 Å²	33	8%	0.075	16%	0.163	C	C	.	.	H	α-helix	trans	-91.6	-29	179.2	-74.6	-6.4	0	0	0	112.5	R56 G103 C104 Y111	R56-N107 HydrophobicContact CG-CB 4.4Å; R56-N107 PolarHBondContact O-ND2 2.91Å; G103-N107 WeakPolarHBondContact O-CB 3.22Å; G103-N107 PolarHBondContact O-N 3.44Å; C104-N107 PolarHBondContact O-N 2.95Å; N107-Y111 HydrophobicContact CB-CD1 4.1Å; N107-Y111 HydrophobicContact CB-CD2 3.49Å; N107-Y111 VanDerWaalsContact CB-CD2 3.49Å; N107-Y111 HydrophobicContact CB-CE1 4.5Å; N107-Y111 HydrophobicContact CB-CE2 3.95Å; N107-Y111 HydrophobicContact CB-CG 3.58Å; N107-Y111 VanDerWaalsContact ND2-CE1 3.27Å; N107-Y111 WeakPolarHBondContact ND2-CE1 3.4Å
108	G	80.1	Confident	85.3	Confident	15 Å²	15	34.7 Å²	34.7	16%	0.155	17%	0.172	C	C	.	.			trans	69.4	-175.5	177.7	0	0	0	0	0	114.1	C104 L110 Y111	C104-G108 PolarHBondContact O-N 2.87Å; G108-L110 PolarHBondContact O-N 3.24Å; G108-L110 VanDerWaalsContact O-N 3.14Å; G108-Y111 PolarHBondContact O-N 3.41Å
109	G	76.4	Confident	84.5	Confident	10 Å²	10	32.2 Å²	32.2	10%	0.103	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	-114.4	169.9	0	0	0	0	0	113.8	Y111 I112 K113	G109-Y111 VanDerWaalsContact C-N 3.26Å; G109-Y111 PolarHBondContact O-N 3.34Å; G109-I112 WeakPolarHBondContact O-CB 3.34Å; G109-I112 PolarHBondContact O-N 2.8Å; G109-I112 VanDerWaalsContact O-N 3.08Å; G109-K113 PolarHBondContact O-N 3.4Å; G109-K113 VanDerWaalsContact O-N 3.12Å
110	L	80.7	Confident	83.3	Confident	7 Å²	7	30.7 Å²	30.7	4%	0.037	16%	0.158	C	C	.	.	H	α-helix	trans	-54.8	-38	-178.2	-168.4	64.2	0	0	0	113.3	G108 K113 M114 F204 D207 M208 L238	G108-L110 PolarHBondContact O-N 3.24Å; G108-L110 VanDerWaalsContact O-N 3.14Å; L110-K113 PolarHBondContact O-N 3.04Å; L110-M114 WeakPolarHBondContact O-CB 3.45Å; L110-M114 VanDerWaalsContact O-CG 3.27Å; L110-M114 WeakPolarHBondContact O-CG 3.46Å; L110-M114 PolarHBondContact O-N 2.9Å; L110-F204 HydrophobicContact CD1-CD2 3.72Å; L110-F204 HydrophobicContact CD1-CE2 3.87Å; L110-F204 HydrophobicContact CD2-CD2 4.05Å; L110-D207 HydrophobicContact CD2-CB 3.54Å; L110-M208 HydrophobicContact CD1-CE 3.68Å; L110-M208 HydrophobicContact CD2-CE 3.59Å; L110-M208 HydrophobicContact CD2-CG 4.12Å; L110-M208 HydrophobicContact CG-CE 3.77Å; L110-L238 HydrophobicContact CD1-CD1 3.95Å
111	Y	85.6	Confident	82.2	Confident	13 Å²	13	30 Å²	30	5%	0.051	16%	0.155	C	C	.	.	H	α-helix	trans	-70.5	-34.4	-179.7	-72.5	-104.9	0	0	0	112.2	A60 C104 N107 G108 G109 G115 D207 L211	A60-Y111 HydrophobicContact CB-CE1 4Å; C104-Y111 PolarHBondContact SG-O 3.46Å; N107-Y111 HydrophobicContact CB-CD1 4.1Å; N107-Y111 HydrophobicContact CB-CD2 3.49Å; N107-Y111 VanDerWaalsContact CB-CD2 3.49Å; N107-Y111 HydrophobicContact CB-CE1 4.5Å; N107-Y111 HydrophobicContact CB-CE2 3.95Å; N107-Y111 HydrophobicContact CB-CG 3.58Å; N107-Y111 VanDerWaalsContact ND2-CE1 3.27Å; N107-Y111 WeakPolarHBondContact ND2-CE1 3.4Å; G108-Y111 PolarHBondContact O-N 3.41Å; G109-Y111 VanDerWaalsContact C-N 3.26Å; G109-Y111 PolarHBondContact O-N 3.34Å; Y111-G115 PolarHBondContact O-N 3.27Å; Y111-D207 HydrophobicContact CE2-CB 3.94Å; Y111-L211 HydrophobicContact CD1-CD2 4.23Å; Y111-L211 HydrophobicContact CE1-CD2 3.68Å; Y111-L211 HydrophobicContact CE1-CG 4.25Å
112	I	83.5	Confident	81	Confident	7 Å²	7	33.7 Å²	33.7	4%	0.036	17%	0.174	C	C	.	.	H	α-helix	trans	-63.3	-48	172.7	-68	178.7	0	0	0	109.1	C104 L105 G109 M114 G115 Q116 L136	C104-I112 WeakPolarHBondContact O-CG1 3.47Å; L105-I112 HydrophobicContact CD2-CD1 4.44Å; G109-I112 WeakPolarHBondContact O-CB 3.34Å; G109-I112 PolarHBondContact O-N 2.8Å; G109-I112 VanDerWaalsContact O-N 3.08Å; I112-M114 VanDerWaalsContact C-N 3.34Å; I112-M114 PolarHBondContact O-N 2.91Å; I112-G115 CarbonylContact O-C 3.54Å; I112-G115 PolarHBondContact O-N 3.08Å; I112-G115 VanDerWaalsContact O-N 3.12Å; I112-Q116 HydrophobicContact CG2-CG 4.42Å; I112-Q116 WeakPolarHBondContact O-CG 3.44Å; I112-Q116 PolarHBondContact O-N 3.25Å; I112-L136 HydrophobicContact CG1-CD2 4.32Å; I112-L136 HydrophobicContact CG2-CB 4.26Å; I112-L136 HydrophobicContact CG2-CD2 4.29Å
113	K	79.9	Confident	79.6	Confident	30 Å²	30	30.3 Å²	30.3	13%	0.13	16%	0.16	C	C	.	.	H	α-helix	trans	-65	-37.7	180	-172.4	73.9	-162.9	-153	0	112.1	G109 L110 Q116 G117 S176 L177 L238 E241	G109-K113 PolarHBondContact O-N 3.4Å; G109-K113 VanDerWaalsContact O-N 3.12Å; L110-K113 PolarHBondContact O-N 3.04Å; K113-Q116 WeakPolarHBondContact O-CB 3.27Å; K113-Q116 PolarHBondContact O-N 2.92Å; K113-G117 PolarHBondContact O-N 3.14Å; K113-S176 WeakPolarHBondContact CD-OG 3.3Å; K113-L177 HydrophobicContact CB-CD2 4Å; K113-L177 HydrophobicContact CB-CG 4.4Å; K113-L177 HydrophobicContact CD-CD1 4.09Å; K113-L177 HydrophobicContact CD-CG 4.1Å; K113-L177 HydrophobicContact CG-CD1 4.08Å; K113-L177 HydrophobicContact CG-CD2 4.16Å; K113-L177 HydrophobicContact CG-CG 4.13Å; K113-L238 HydrophobicContact CB-CD2 4.09Å; K113-L238 HydrophobicContact CD-CD2 4.24Å; K113-L238 HydrophobicContact CG-CD2 3.18Å; K113-E241 WeakPolarHBondContact CE-OE1 3.46Å; K113-E241 WeakPolarHBondContact CE-OE2 3.19Å; K113-E241 IonicContact NZ-OE1 3.39Å; K113-E241 PolarHBondContact NZ-OE1 2.85Å; K113-E241 IonicContact NZ-OE2 4Å; K113-E241 PolarHBondContact NZ-OE2 3.01Å
114	M	82.2	Confident	78.4	Confident	16 Å²	16	30.3 Å²	30.3	8%	0.079	16%	0.159	C	C	.	.	H	α-helix	trans	-59.6	-47.1	169.7	-76.6	-64.4	-60.3	0	0	111.5	L110 I112 Q116 G117 L118 M208 L211 L231 M234 L238	L110-M114 WeakPolarHBondContact O-CB 3.45Å; L110-M114 VanDerWaalsContact O-CG 3.27Å; L110-M114 WeakPolarHBondContact O-CG 3.46Å; L110-M114 PolarHBondContact O-N 2.9Å; I112-M114 VanDerWaalsContact C-N 3.34Å; I112-M114 PolarHBondContact O-N 2.91Å; M114-Q116 VanDerWaalsContact C-N 3.32Å; M114-Q116 PolarHBondContact O-N 3.03Å; M114-G117 PolarHBondContact O-N 3.37Å; M114-L118 WeakPolarHBondContact O-CG 3.46Å; M114-L118 PolarHBondContact O-N 2.65Å; M114-M208 HydrophobicContact CG-CE 4.2Å; M114-M208 HydrophobicContact SD-CE 3.77Å; M114-L211 HydrophobicContact CE-CD1 4.29Å; M114-L211 HydrophobicContact CG-CD1 3.9Å; M114-L211 HydrophobicContact SD-CD1 4.49Å; M114-L231 HydrophobicContact CE-CD1 3.21Å; M114-L231 HydrophobicContact SD-CD1 4.17Å; M114-M234 HydrophobicContact CB-CE 4.18Å; M114-M234 HydrophobicContact CE-CB 4.03Å; M114-M234 HydrophobicContact CE-CE 3.41Å; M114-M234 VanDerWaalsContact CE-CE 3.41Å; M114-M234 HydrophobicContact CE-CG 4.43Å; M114-M234 HydrophobicContact CE-SD 3.48Å; M114-M234 WeakPolarHBondContact CE-SD 3.35Å; M114-M234 HydrophobicContact CG-CE 4.45Å; M114-M234 WeakPolarHBondContact O-CE 3.45Å; M114-M234 HydrophobicContact SD-CB 3.85Å; M114-M234 HydrophobicContact SD-CE 3.47Å; M114-M234 WeakPolarHBondContact SD-CE 3.44Å; M114-M234 HydrophobicContact SD-SD 4.15Å; M114-L238 HydrophobicContact CG-CD1 4.04Å; M114-L238 HydrophobicContact SD-CD1 3.34Å; M114-L238 WeakPolarHBondContact SD-CD1 3.43Å
115	G	84.6	Confident	77.6	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-62.7	-37.1	176.1	0	0	0	0	0	113.2	Y111 I112 L118 A119 L136	Y111-G115 PolarHBondContact O-N 3.27Å; I112-G115 CarbonylContact O-C 3.54Å; I112-G115 PolarHBondContact O-N 3.08Å; I112-G115 VanDerWaalsContact O-N 3.12Å; G115-L118 PolarHBondContact O-N 3.12Å; G115-A119 WeakPolarHBondContact O-CB 3.16Å; G115-A119 PolarHBondContact O-N 3.4Å; G115-L136 VanDerWaalsContact CA-CD1 3.48Å
116	Q	80.8	Confident	77.1	Confident	18 Å²	18	29.6 Å²	29.6	8%	0.084	16%	0.156	C	C	.	.	H	α-helix	trans	-63.6	-42.2	173	-71.2	173.4	-10.5	0	0	111.8	I112 K113 M114 L118 A119 S120 L136 S176	I112-Q116 HydrophobicContact CG2-CG 4.42Å; I112-Q116 WeakPolarHBondContact O-CG 3.44Å; I112-Q116 PolarHBondContact O-N 3.25Å; K113-Q116 WeakPolarHBondContact O-CB 3.27Å; K113-Q116 PolarHBondContact O-N 2.92Å; M114-Q116 VanDerWaalsContact C-N 3.32Å; M114-Q116 PolarHBondContact O-N 3.03Å; Q116-L118 VanDerWaalsContact C-N 3.35Å; Q116-A119 WeakPolarHBondContact O-CB 3.33Å; Q116-A119 PolarHBondContact O-N 3.11Å; Q116-S120 PolarHBondContact O-N 3.22Å; Q116-S120 VanDerWaalsContact O-N 3.11Å; Q116-L136 HydrophobicContact CG-CB 3.81Å; Q116-L136 PolarHBondContact NE2-O 3.44Å; Q116-S176 VanDerWaalsContact OE1-CB 3.28Å; Q116-S176 PolarHBondContact OE1-OG 3.48Å
117	G	77.4	Confident	77	Confident	14 Å²	14	25.5 Å²	25.5	14%	0.144	15%	0.148	C	C	.	.	H	α-helix	trans	-67.3	-34.2	175.2	0	0	0	0	0	112.7	K113 M114 S120 M121	K113-G117 PolarHBondContact O-N 3.14Å; M114-G117 PolarHBondContact O-N 3.37Å; G117-S120 PolarHBondContact O-N 2.96Å; G117-S120 PolarHBondContact O-OG 3.27Å; G117-M121 WeakPolarHBondContact O-CG 3.47Å
118	L	79.6	Confident	77.3	Confident	36 Å²	36	26.7 Å²	26.7	19%	0.188	15%	0.153	C	C	.	.	H	α-helix	trans	-67.3	-39.9	170.5	-68	174.1	0	0	0	111.4	M114 G115 Q116 S120 M121 L125 L133 V230 M234	M114-L118 WeakPolarHBondContact O-CG 3.46Å; M114-L118 PolarHBondContact O-N 2.65Å; G115-L118 PolarHBondContact O-N 3.12Å; Q116-L118 VanDerWaalsContact C-N 3.35Å; L118-S120 PolarHBondContact O-N 3.01Å; L118-M121 HydrophobicContact CD2-SD 4.34Å; L118-M121 WeakPolarHBondContact O-CB 3.09Å; L118-M121 PolarHBondContact O-N 2.91Å; L118-M121 VanDerWaalsContact O-N 3.08Å; L118-L125 HydrophobicContact CB-CD1 3.83Å; L118-L125 HydrophobicContact CD2-CD1 3.98Å; L118-L125 HydrophobicContact CG-CD1 4.44Å; L118-L125 WeakPolarHBondContact O-CD1 3.43Å; L118-L133 HydrophobicContact CB-CD1 3.79Å; L118-L133 HydrophobicContact CD1-CD1 4.32Å; L118-V230 HydrophobicContact CD2-CG1 4.3Å; L118-M234 HydrophobicContact CD2-SD 4Å; L118-M234 HydrophobicContact CG-CE 4.2Å; L118-M234 HydrophobicContact CG-SD 4.3Å
119	A	78.3	Confident	77.6	Confident	4 Å²	4	27 Å²	27	3%	0.033	15%	0.15	C	C	.	.	H	α-helix	trans	-60.4	-34.5	177.2	0	0	0	0	0	112.4	G115 Q116 M121 L133 E134	G115-A119 WeakPolarHBondContact O-CB 3.16Å; G115-A119 PolarHBondContact O-N 3.4Å; Q116-A119 WeakPolarHBondContact O-CB 3.33Å; Q116-A119 PolarHBondContact O-N 3.11Å; A119-M121 VanDerWaalsContact C-N 3.25Å; A119-M121 PolarHBondContact O-N 3.42Å; A119-L133 HydrophobicContact CB-CB 3.77Å; A119-E134 HydrophobicContact CB-CG 4.49Å
120	S	69.3	Low	77.9	Confident	35 Å²	35	26.9 Å²	26.9	25%	0.245	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-10.5	178.1	72.9	0	0	0	0	114.1	Q116 G117 L118 N122 R512	Q116-S120 PolarHBondContact O-N 3.22Å; Q116-S120 VanDerWaalsContact O-N 3.11Å; G117-S120 PolarHBondContact O-N 2.96Å; G117-S120 PolarHBondContact O-OG 3.27Å; L118-S120 PolarHBondContact O-N 3.01Å; S120-N122 PolarHBondContact O-N 3.12Å; S120-N122 VanDerWaalsContact O-N 3.17Å; S120-R512 PolarHBondContact OG-NH2 2.84Å
121	M	68.1	Low	78.3	Confident	27 Å²	27	32 Å²	32	13%	0.133	17%	0.17	C	C	.	.			trans	-87.9	45.3	176.7	-63.6	173.5	-171.7	0	0	112.8	G117 L118 A119 H123 V124 L125 V230 M234	G117-M121 WeakPolarHBondContact O-CG 3.47Å; L118-M121 HydrophobicContact CD2-SD 4.34Å; L118-M121 WeakPolarHBondContact O-CB 3.09Å; L118-M121 PolarHBondContact O-N 2.91Å; L118-M121 VanDerWaalsContact O-N 3.08Å; A119-M121 VanDerWaalsContact C-N 3.25Å; A119-M121 PolarHBondContact O-N 3.42Å; M121-H123 PolarHBondContact O-N 2.84Å; M121-V124 HydrophobicContact CB-CB 4.28Å; M121-V124 PolarHBondContact O-N 3.44Å; M121-L125 HydrophobicContact CB-CD1 4.5Å; M121-L125 HydrophobicContact CB-CG 4.43Å; M121-L125 PolarHBondContact O-N 3.28Å; M121-V230 HydrophobicContact CE-CG1 3.49Å; M121-V230 VanDerWaalsContact CE-CG1 3.49Å; M121-V230 HydrophobicContact SD-CG1 3.33Å; M121-V230 WeakPolarHBondContact SD-CG1 3.09Å; M121-M234 HydrophobicContact CE-CG 3.78Å; M121-M234 HydrophobicContact CE-SD 3.86Å
122	N	67.4	Low	78.5	Confident	95 Å²	95	31.6 Å²	31.6	51%	0.508	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-18.3	-178.6	66	-7	0	0	0	116.2	S120 T130	S120-N122 PolarHBondContact O-N 3.12Å; S120-N122 VanDerWaalsContact O-N 3.17Å; N122-T130 HydrophobicContact CB-CG2 4.18Å
123	H	63.1	Low	78.8	Confident	57 Å²	57	31.2 Å²	31.2	26%	0.264	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-14.4	179.2	55.2	-74.1	0	0	0	112.4	M121 M497	M121-H123 PolarHBondContact O-N 2.84Å; H123-M497 WeakPolarHBondContact O-CE 3.34Å
124	V	64.7	Low	79	Confident	10 Å²	10	34.8 Å²	34.8	6%	0.061	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-40.8	-178.2	-177.7	0	0	0	0	111.4	M121 F227 M497 L500	M121-V124 HydrophobicContact CB-CB 4.28Å; M121-V124 PolarHBondContact O-N 3.44Å; V124-F227 HydrophobicContact CG1-CE1 4.18Å; V124-M497 HydrophobicContact CB-SD 4.32Å; V124-M497 HydrophobicContact CG1-SD 3.97Å; V124-M497 HydrophobicContact CG2-CE 4.38Å; V124-M497 HydrophobicContact CG2-SD 4.41Å; V124-L500 HydrophobicContact CG2-CD1 4.06Å
125	L	71.7	Confident	79.1	Confident	18 Å²	18	39.2 Å²	39.2	9%	0.094	20%	0.203	C	C	.	.	S	Bend	trans	-95.1	148.1	-175.7	-63.2	-179.4	0	0	0	112.2	L118 M121 T130 F227	L118-L125 HydrophobicContact CB-CD1 3.83Å; L118-L125 HydrophobicContact CD2-CD1 3.98Å; L118-L125 HydrophobicContact CG-CD1 4.44Å; L118-L125 WeakPolarHBondContact O-CD1 3.43Å; M121-L125 HydrophobicContact CB-CD1 4.5Å; M121-L125 HydrophobicContact CB-CG 4.43Å; M121-L125 PolarHBondContact O-N 3.28Å; L125-T130 HydrophobicContact CB-CG2 4.09Å; L125-F227 HydrophobicContact CD2-CD1 4.3Å; L125-F227 HydrophobicContact CD2-CE1 3.47Å; L125-F227 VanDerWaalsContact CD2-CE1 3.47Å; L125-F227 HydrophobicContact CD2-CZ 3.71Å
126	P	77.2	Confident	79.1	Confident	36 Å²	36	39.1 Å²	39.1	23%	0.234	20%	0.203	C	C	.	.			trans	-54.7	143.4	171	-22.1	30.3	0	0	0	111.3	H93 Q128 Y129 T130	H93-P126 HydrophobicContact CB-CB 4.48Å; P126-Q128 VanDerWaalsContact CB-OE1 3.28Å; P126-Q128 PolarHBondContact O-N 2.87Å; P126-Y129 HydrophobicContact CB-CD2 4.03Å; P126-Y129 HydrophobicContact CG-CD2 3.95Å; P126-Y129 HydrophobicContact CG-CE2 4.18Å; P126-Y129 WeakPolarHBondContact O-CB 3.46Å; P126-Y129 PolarHBondContact O-N 3.25Å; P126-T130 PolarHBondContact O-N 3.2Å
127	V	83.2	Confident	78.7	Confident	72 Å²	72	42.2 Å²	42.2	44%	0.436	22%	0.217	S	C	.	.	H	α-helix	trans	-53.5	-31.6	-174.9	69	0	0	0	0	113.3	Y129 T130 E131	V127-Y129 VanDerWaalsContact C-N 3.26Å; V127-Y129 PolarHBondContact O-N 2.76Å; V127-T130 WeakPolarHBondContact CA-OG1 3.42Å; V127-T130 PolarHBondContact O-N 2.97Å; V127-T130 PolarHBondContact O-OG1 3.34Å; V127-T130 VanDerWaalsContact O-OG1 3.08Å; V127-E131 HydrophobicContact CG2-CG 3.81Å; V127-E131 WeakPolarHBondContact CG2-OE1 3.42Å; V127-E131 WeakPolarHBondContact O-CB 3.22Å; V127-E131 WeakPolarHBondContact O-CG 3.36Å; V127-E131 PolarHBondContact O-N 3Å
128	Q	90.4	Very high	78.3	Confident	40 Å²	40	48.5 Å²	48.5	19%	0.187	25%	0.247	C	C	.	.	H	α-helix	trans	-59.4	-37.2	176.5	-62.3	79.3	10.3	0	0	112	H93 Q94 A97 P126 T132	H93-Q128 HydrophobicContact CB-CB 4.07Å; H93-Q128 HydrophobicContact CB-CG 4.2Å; Q94-Q128 HydrophobicContact CB-CB 4.38Å; Q94-Q128 HydrophobicContact CB-CG 4.22Å; A97-Q128 WeakPolarHBondContact CB-O 3.47Å; P126-Q128 VanDerWaalsContact CB-OE1 3.28Å; P126-Q128 PolarHBondContact O-N 2.87Å; Q128-T132 WeakPolarHBondContact O-CB 3.45Å; Q128-T132 PolarHBondContact O-N 3.02Å; Q128-T132 PolarHBondContact O-OG1 3.3Å
129	Y	86.7	Confident	77.5	Confident	22 Å²	22	50.8 Å²	50.8	9%	0.086	26%	0.257	C	S	.	.	H	α-helix	trans	-70.2	-48.2	175.7	-76	-85.3	0	0	0	111.3	Y71 H93 A96 A97 I100 P126 V127 T132 L133	Y71-Y129 PolarHBondContact OH-OH 2.9Å; H93-Y129 HydrophobicContact CB-CD2 4.46Å; H93-Y129 HydrophobicContact CB-CE2 4.01Å; H93-Y129 AromaticContact ND1-CE2 3.92Å; A96-Y129 HydrophobicContact CB-CE1 4.19Å; A96-Y129 WeakPolarHBondContact CB-OH 3.48Å; A97-Y129 HydrophobicContact CB-CD1 3.81Å; A97-Y129 HydrophobicContact CB-CE1 4.21Å; A97-Y129 HydrophobicContact CB-CG 4.11Å; I100-Y129 HydrophobicContact CD1-CD1 4.12Å; I100-Y129 HydrophobicContact CD1-CE1 3.63Å; P126-Y129 HydrophobicContact CB-CD2 4.03Å; P126-Y129 HydrophobicContact CG-CD2 3.95Å; P126-Y129 HydrophobicContact CG-CE2 4.18Å; P126-Y129 WeakPolarHBondContact O-CB 3.46Å; P126-Y129 PolarHBondContact O-N 3.25Å; V127-Y129 VanDerWaalsContact C-N 3.26Å; V127-Y129 PolarHBondContact O-N 2.76Å; Y129-T132 PolarHBondContact O-N 2.54Å; Y129-L133 VanDerWaalsContact O-CB 3.24Å; Y129-L133 WeakPolarHBondContact O-CB 3.1Å; Y129-L133 WeakPolarHBondContact O-CG 3.21Å; Y129-L133 PolarHBondContact O-N 2.79Å
130	T	82.7	Confident	76.8	Confident	7 Å²	7	53 Å²	53	4%	0.043	28%	0.275	C	S	.	.	H	α-helix	trans	-67.7	-48.6	-174.3	56.7	0	0	0	0	111.4	N122 L125 P126 V127 T132 L133 E134	N122-T130 HydrophobicContact CB-CG2 4.18Å; L125-T130 HydrophobicContact CB-CG2 4.09Å; P126-T130 PolarHBondContact O-N 3.2Å; V127-T130 WeakPolarHBondContact CA-OG1 3.42Å; V127-T130 PolarHBondContact O-N 2.97Å; V127-T130 PolarHBondContact O-OG1 3.34Å; V127-T130 VanDerWaalsContact O-OG1 3.08Å; T130-T132 VanDerWaalsContact C-N 3.3Å; T130-T132 PolarHBondContact O-N 3.07Å; T130-L133 PolarHBondContact O-N 2.68Å; T130-E134 WeakPolarHBondContact O-CB 3.32Å; T130-E134 VanDerWaalsContact O-CG 3.25Å; T130-E134 WeakPolarHBondContact O-CG 3.38Å; T130-E134 PolarHBondContact O-N 2.69Å
131	E	87.4	Confident	76.8	Confident	114 Å²	114	54.7 Å²	54.7	53%	0.533	28%	0.281	S	S	.	.	H	α-helix	trans	-62.4	-36.3	177.3	-70.1	-179.6	171.4	0	0	112.5	V127	V127-E131 HydrophobicContact CG2-CG 3.81Å; V127-E131 WeakPolarHBondContact CG2-OE1 3.42Å; V127-E131 WeakPolarHBondContact O-CB 3.22Å; V127-E131 WeakPolarHBondContact O-CG 3.36Å; V127-E131 PolarHBondContact O-N 3Å
132	T	91	Very high	77.1	Confident	4 Å²	4	58 Å²	58	3%	0.025	30%	0.303	C	S	.	.	H	α-helix	trans	-74.5	-41.9	-179.8	-60.2	0	0	0	0	111.6	Q94 A97 D98 L101 Q128 Y129 T130 K135	Q94-T132 PolarHBondContact NE2-OG1 3.4Å; A97-T132 HydrophobicContact CB-CG2 4Å; D98-T132 WeakPolarHBondContact OD1-CG2 3.49Å; L101-T132 HydrophobicContact CB-CG2 4.05Å; L101-T132 HydrophobicContact CD2-CG2 3.81Å; Q128-T132 WeakPolarHBondContact O-CB 3.45Å; Q128-T132 PolarHBondContact O-N 3.02Å; Q128-T132 PolarHBondContact O-OG1 3.3Å; Y129-T132 PolarHBondContact O-N 2.54Å; T130-T132 VanDerWaalsContact C-N 3.3Å; T130-T132 PolarHBondContact O-N 3.07Å; T132-K135 WeakPolarHBondContact O-CB 3.5Å; T132-K135 WeakPolarHBondContact O-CG 3.36Å
133	L	88.6	Confident	77.6	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-79.1	-18.4	-178.6	-64.2	176.1	0	0	0	112.8	I100 L101 L118 A119 Y129 T130 K135 L136	I100-L133 HydrophobicContact CB-CD2 4.29Å; I100-L133 HydrophobicContact CG2-CD1 4.33Å; I100-L133 HydrophobicContact CG2-CD2 3.77Å; L101-L133 HydrophobicContact CB-CD2 4.12Å; L118-L133 HydrophobicContact CB-CD1 3.79Å; L118-L133 HydrophobicContact CD1-CD1 4.32Å; A119-L133 HydrophobicContact CB-CB 3.77Å; Y129-L133 VanDerWaalsContact O-CB 3.24Å; Y129-L133 WeakPolarHBondContact O-CB 3.1Å; Y129-L133 WeakPolarHBondContact O-CG 3.21Å; Y129-L133 PolarHBondContact O-N 2.79Å; T130-L133 PolarHBondContact O-N 2.68Å; L133-K135 PolarHBondContact O-N 3.12Å; L133-K135 VanDerWaalsContact O-N 3.11Å; L133-L136 HydrophobicContact CB-CD1 4.39Å; L133-L136 HydrophobicContact CD2-CD1 3.94Å; L133-L136 WeakPolarHBondContact O-CB 3.32Å; L133-L136 WeakPolarHBondContact O-CG 3.29Å; L133-L136 PolarHBondContact O-N 2.93Å
134	E	84.5	Confident	78.5	Confident	104 Å²	104	57.3 Å²	57.3	49%	0.486	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-52.2	-31.7	170.5	-89.9	173.3	-169.2	0	0	112.3	A119 T130 L136 H137	A119-E134 HydrophobicContact CB-CG 4.49Å; T130-E134 WeakPolarHBondContact O-CB 3.32Å; T130-E134 VanDerWaalsContact O-CG 3.25Å; T130-E134 WeakPolarHBondContact O-CG 3.38Å; T130-E134 PolarHBondContact O-N 2.69Å; E134-L136 PolarHBondContact O-N 3.22Å; E134-H137 WeakPolarHBondContact O-CB 3.44Å; E134-H137 PolarHBondContact O-CD2 2.99Å; E134-H137 PolarHBondContact O-N 3.22Å
135	K	85.2	Confident	79.3	Confident	109 Å²	109	58.1 Å²	58.1	47%	0.474	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-57.8	-17.2	174.7	-62	174.5	-173.9	166.8	0	114.2	L101 T132 L133 H137	L101-K135 HydrophobicContact CD1-CB 4.27Å; L101-K135 HydrophobicContact CD2-CB 4.46Å; L101-K135 HydrophobicContact CD2-CD 3.82Å; T132-K135 WeakPolarHBondContact O-CB 3.5Å; T132-K135 WeakPolarHBondContact O-CG 3.36Å; L133-K135 PolarHBondContact O-N 3.12Å; L133-K135 VanDerWaalsContact O-N 3.11Å; K135-H137 VanDerWaalsContact C-N 3.32Å
136	L	83.5	Confident	80.1	Confident	0 Å²	0	62.6 Å²	62.6	0%	0	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-75.7	-19.5	175.8	-66.6	172.9	0	0	0	112.6	L101 C104 L105 I112 G115 Q116 L133 E134 D138	L101-L136 HydrophobicContact CD1-CD1 4.35Å; L101-L136 HydrophobicContact CD1-CD2 3.59Å; L101-L136 HydrophobicContact CD1-CG 3.65Å; C104-L136 HydrophobicContact CB-CD1 3.97Å; C104-L136 HydrophobicContact CB-CD2 4.02Å; L105-L136 HydrophobicContact CD2-CD2 3.48Å; L105-L136 VanDerWaalsContact CD2-CD2 3.48Å; L105-L136 HydrophobicContact CG-CD2 4.05Å; I112-L136 HydrophobicContact CG1-CD2 4.32Å; I112-L136 HydrophobicContact CG2-CB 4.26Å; I112-L136 HydrophobicContact CG2-CD2 4.29Å; G115-L136 VanDerWaalsContact CA-CD1 3.48Å; Q116-L136 HydrophobicContact CG-CB 3.81Å; Q116-L136 PolarHBondContact NE2-O 3.44Å; L133-L136 HydrophobicContact CB-CD1 4.39Å; L133-L136 HydrophobicContact CD2-CD1 3.94Å; L133-L136 WeakPolarHBondContact O-CB 3.32Å; L133-L136 WeakPolarHBondContact O-CG 3.29Å; L133-L136 PolarHBondContact O-N 2.93Å; E134-L136 PolarHBondContact O-N 3.22Å; L136-D138 VanDerWaalsContact C-N 3.33Å
137	H	74.1	Confident	80.6	Confident	83 Å²	83	61.5 Å²	61.5	38%	0.384	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-29.3	178.7	-72.4	-71.6	0	0	0	113	E134 K135 Q139	E134-H137 WeakPolarHBondContact O-CB 3.44Å; E134-H137 PolarHBondContact O-CD2 2.99Å; E134-H137 PolarHBondContact O-N 3.22Å; K135-H137 VanDerWaalsContact C-N 3.32Å; H137-Q139 VanDerWaalsContact C-N 3.34Å
138	D	67.3	Low	80.9	Confident	146 Å²	146	58.1 Å²	58.1	78%	0.781	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-6.6	-177.1	-65.8	-31.3	0	0	0	113.8	L136 A140	L136-D138 VanDerWaalsContact C-N 3.33Å; D138-A140 PolarHBondContact O-N 3.08Å
139	Q	63.8	Low	81	Confident	83 Å²	83	59.9 Å²	59.9	39%	0.388	32%	0.315	S	S	.	.			trans	-99.1	85	-173.3	-63.1	-164.9	36.6	0	0	112	L105 H137	L105-Q139 VanDerWaalsContact CD2-CD 3.46Å; H137-Q139 VanDerWaalsContact C-N 3.34Å
140	A	64.3	Low	81.2	Confident	51 Å²	51	62.8 Å²	62.8	42%	0.421	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-85.2	129.8	173	0	0	0	0	0	111.3	D138 A174	D138-A140 PolarHBondContact O-N 3.08Å; A140-A174 HydrophobicContact CB-CB 3.77Å; A140-A174 VanDerWaalsContact CB-O 3.24Å; A140-A174 WeakPolarHBondContact CB-O 3.24Å
141	L	68	Low	81.7	Confident	70 Å²	70	62.5 Å²	62.5	37%	0.366	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-92.3	124.9	174.2	-66.3	170.9	0	0	0	109.4	Y197	L141-Y197 PolarHBondContact O-OH 3.32Å
142	V	74.8	Confident	82.1	Confident	98 Å²	98	57.1 Å²	57.1	59%	0.594	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-95.5	127.8	171.9	174.4	0	0	0	0	108.9	P171 A174	V142-P171 HydrophobicContact CG1-CG 3.77Å; V142-P171 HydrophobicContact CG2-CG 4.09Å; V142-A174 HydrophobicContact CG2-CB 4.19Å
143	R	78.6	Confident	82.3	Confident	72 Å²	72	60.7 Å²	60.7	27%	0.272	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-102.3	160.7	177.8	-62.7	-55.6	-174	112.5	1.8	111.9	E147 Y197 D199	R143-E147 WeakPolarHBondContact CB-OE2 3.19Å; R143-E147 WeakPolarHBondContact CD-OE2 3.42Å; R143-E147 WeakPolarHBondContact CG-OE2 3.25Å; R143-E147 IonicContact NH1-OE2 2.73Å; R143-E147 PolarHBondContact NH1-OE2 2.92Å; R143-Y197 HydrophobicContact CB-CD1 4.28Å; R143-Y197 HydrophobicContact CB-CE1 4.35Å; R143-Y197 HydrophobicContact CG-CD1 3.34Å; R143-Y197 HydrophobicContact CG-CE1 3.51Å; R143-Y197 HydrophobicContact CG-CG 4.24Å; R143-D199 IonicContact NH2-OD1 3.56Å; R143-D199 IonicContact NH2-OD2 3.12Å
144	S	81.1	Confident	82.5	Confident	64 Å²	64	65.8 Å²	65.8	45%	0.448	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-73.2	157.7	-176.5	64.9	0	0	0	0	112.1	D146 E147	S144-D146 PolarHBondContact O-N 2.95Å; S144-E147 PolarHBondContact O-N 2.86Å
145	G	82.4	Confident	82.9	Confident	28 Å²	28	63.3 Å²	63.3	29%	0.289	33%	0.33	S	S	.	.	H	α-helix	trans	-59.6	-28.5	174.9	0	0	0	0	0	113.7	E147 I148 H149	G145-E147 VanDerWaalsContact C-N 3.33Å; G145-E147 PolarHBondContact O-N 3.33Å; G145-I148 WeakPolarHBondContact O-CB 3.4Å; G145-I148 PolarHBondContact O-N 3.05Å; G145-H149 PolarHBondContact O-N 3.44Å
146	D	87.1	Confident	83.4	Confident	112 Å²	112	60.3 Å²	60.3	60%	0.599	32%	0.317	S	S	*	.	H	α-helix	trans	-65.7	-34.7	178.5	-57.1	-30.6	0	0	0	112.6	S144 H149 R150	S144-D146 PolarHBondContact O-N 2.95Å; D146-H149 PolarHBondContact O-N 3.27Å; D146-R150 WeakPolarHBondContact O-CG 3.3Å; D146-R150 PolarHBondContact O-N 2.83Å; D146-R150 VanDerWaalsContact O-N 3.12Å; D146-R150 PolarHBondContact O-NH1 3.35Å
147	E	87.3	Confident	84	Confident	12 Å²	12	62.7 Å²	62.7	6%	0.056	34%	0.341	C	S	.	.	H	α-helix	trans	-66.1	-44.7	176.2	-170.2	176.7	148.7	0	0	110.5	R143 S144 G145 H149 R150 I151 Y197 E198	R143-E147 WeakPolarHBondContact CB-OE2 3.19Å; R143-E147 WeakPolarHBondContact CD-OE2 3.42Å; R143-E147 WeakPolarHBondContact CG-OE2 3.25Å; R143-E147 IonicContact NH1-OE2 2.73Å; R143-E147 PolarHBondContact NH1-OE2 2.92Å; S144-E147 PolarHBondContact O-N 2.86Å; G145-E147 VanDerWaalsContact C-N 3.33Å; G145-E147 PolarHBondContact O-N 3.33Å; E147-H149 VanDerWaalsContact C-N 3.34Å; E147-H149 PolarHBondContact O-N 2.85Å; E147-R150 PolarHBondContact O-N 3.06Å; E147-I151 HydrophobicContact CG-CD1 4.26Å; E147-I151 WeakPolarHBondContact O-CG1 3.47Å; E147-I151 PolarHBondContact O-N 3.1Å; E147-I151 VanDerWaalsContact O-N 3.11Å; E147-Y197 WeakPolarHBondContact OE1-CA 3.43Å; E147-E198 HydrophobicContact CG-CB 3.73Å; E147-E198 PolarHBondContact OE1-N 3.28Å
148	I	91.2	Very high	85.1	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-57.9	-49.5	174.6	-56.1	170.8	0	0	0	109.7	G145 R150 I151 F152 P160 F167 Y169 Q179 H181	G145-I148 WeakPolarHBondContact O-CB 3.4Å; G145-I148 PolarHBondContact O-N 3.05Å; I148-R150 VanDerWaalsContact C-N 3.31Å; I148-R150 PolarHBondContact O-N 2.88Å; I148-I151 PolarHBondContact O-N 2.7Å; I148-F152 HydrophobicContact CG2-CD2 3.66Å; I148-F152 HydrophobicContact CG2-CE2 3.7Å; I148-F152 VanDerWaalsContact O-CD2 3.3Å; I148-F152 WeakPolarHBondContact O-CD2 3.45Å; I148-F152 PolarHBondContact O-N 2.88Å; I148-P160 HydrophobicContact CG2-CG 4.18Å; I148-F167 HydrophobicContact CG2-CE1 4.15Å; I148-F167 HydrophobicContact CG2-CZ 4.12Å; I148-Y169 HydrophobicContact CD1-CD1 4.28Å; I148-Q179 VanDerWaalsContact CD1-NE2 3.32Å; I148-Q179 VanDerWaalsContact CG1-NE2 3.3Å; I148-H181 WeakPolarHBondContact CD1-CE1 3.14Å; I148-H181 VanDerWaalsContact CD1-NE2 3.3Å; I148-H181 WeakPolarHBondContact CD1-NE2 3.29Å
149	H	91.8	Very high	86.4	Confident	77 Å²	77	57.3 Å²	57.3	36%	0.356	31%	0.311	S	S	.	.	H	α-helix	trans	-56	-45.2	-179.4	-175.6	92.2	0	0	0	112.1	G145 D146 E147 F152 M153	G145-H149 PolarHBondContact O-N 3.44Å; D146-H149 PolarHBondContact O-N 3.27Å; E147-H149 VanDerWaalsContact C-N 3.34Å; E147-H149 PolarHBondContact O-N 2.85Å; H149-F152 PolarHBondContact O-N 2.79Å; H149-M153 VanDerWaalsContact O-CG 3.29Å; H149-M153 WeakPolarHBondContact O-CG 3.37Å; H149-M153 PolarHBondContact O-N 2.68Å
150	R	91	Very high	87.9	Confident	82 Å²	82	53.3 Å²	53.3	31%	0.309	29%	0.293	S	S	.	.	H	α-helix	trans	-61.8	-47.2	177.5	-72.8	-167.5	-58.1	-81.1	1	112.7	D146 E147 I148 F152 M153 E154 E198	D146-R150 WeakPolarHBondContact O-CG 3.3Å; D146-R150 PolarHBondContact O-N 2.83Å; D146-R150 VanDerWaalsContact O-N 3.12Å; D146-R150 PolarHBondContact O-NH1 3.35Å; E147-R150 PolarHBondContact O-N 3.06Å; I148-R150 VanDerWaalsContact C-N 3.31Å; I148-R150 PolarHBondContact O-N 2.88Å; R150-F152 VanDerWaalsContact C-N 3.28Å; R150-F152 PolarHBondContact O-N 3.5Å; R150-M153 PolarHBondContact O-N 3Å; R150-E154 WeakPolarHBondContact O-CB 3.36Å; R150-E154 WeakPolarHBondContact O-CG 3.21Å; R150-E154 PolarHBondContact O-N 2.91Å; R150-E198 IonicContact CZ-OE1 3.46Å; R150-E198 IonicContact CZ-OE2 3.44Å; R150-E198 IonicContact NE-OE1 3.1Å; R150-E198 PolarHBondContact NE-OE1 3.48Å; R150-E198 IonicContact NE-OE2 3.61Å; R150-E198 PolarHBondContact NE-OE2 3.12Å; R150-E198 IonicContact NH2-OE1 3.97Å; R150-E198 IonicContact NH2-OE2 3.9Å; R150-E198 PolarHBondContact NH2-OE2 2.82Å
151	I	92.7	Very high	89.3	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.01	30%	0.299	C	S	.	.	H	α-helix	trans	-58	-44.5	179.8	-67.5	162.6	0	0	0	110.6	E147 I148 E154 D155 V195 Q196 E198 R283 V284	E147-I151 HydrophobicContact CG-CD1 4.26Å; E147-I151 WeakPolarHBondContact O-CG1 3.47Å; E147-I151 PolarHBondContact O-N 3.1Å; E147-I151 VanDerWaalsContact O-N 3.11Å; I148-I151 PolarHBondContact O-N 2.7Å; I151-E154 PolarHBondContact O-N 2.65Å; I151-D155 WeakPolarHBondContact O-CB 3.49Å; I151-D155 PolarHBondContact O-N 3.17Å; I151-V195 HydrophobicContact CB-CG1 4.48Å; I151-V195 HydrophobicContact CD1-CG1 3.76Å; I151-V195 HydrophobicContact CG2-CG1 4.22Å; I151-Q196 WeakPolarHBondContact CD1-O 3.4Å; I151-E198 HydrophobicContact CD1-CB 4.18Å; I151-E198 HydrophobicContact CG1-CB 4.24Å; I151-R283 HydrophobicContact CG2-CB 4.03Å; I151-V284 HydrophobicContact CG2-CG2 3.77Å
152	F	95.5	Very high	90.5	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-66.2	-41.4	178.4	-89.3	-89.6	0	0	0	113.1	I148 H149 R150 E154 F156 G157 K158 P160 L163 F164 F167 V193 V195 V284	I148-F152 HydrophobicContact CG2-CD2 3.66Å; I148-F152 HydrophobicContact CG2-CE2 3.7Å; I148-F152 VanDerWaalsContact O-CD2 3.3Å; I148-F152 WeakPolarHBondContact O-CD2 3.45Å; I148-F152 PolarHBondContact O-N 2.88Å; H149-F152 PolarHBondContact O-N 2.79Å; R150-F152 VanDerWaalsContact C-N 3.28Å; R150-F152 PolarHBondContact O-N 3.5Å; F152-E154 VanDerWaalsContact C-N 3.31Å; F152-E154 PolarHBondContact O-N 2.73Å; F152-F156 AromaticContact CD1-CD2 3.59Å; F152-F156 HydrophobicContact CD1-CD2 3.59Å; F152-F156 AromaticContact CD1-CE2 3.92Å; F152-F156 HydrophobicContact CD1-CE2 3.92Å; F152-F156 HydrophobicContact CE1-CD2 4.05Å; F152-F156 AromaticContact CE1-CE2 3.93Å; F152-F156 HydrophobicContact CE1-CE2 3.93Å; F152-F156 HydrophobicContact CG-CD2 4.37Å; F152-F156 WeakPolarHBondContact O-CA 3.43Å; F152-F156 WeakPolarHBondContact O-CB 3.44Å; F152-F156 PolarHBondContact O-N 3.43Å; F152-G157 PolarHBondContact O-N 3.41Å; F152-K158 CarbonylContact C-O 3.55Å; F152-P160 HydrophobicContact CB-CG 4.11Å; F152-P160 HydrophobicContact CD1-CG 4.09Å; F152-P160 HydrophobicContact CD2-CG 3.67Å; F152-P160 HydrophobicContact CE1-CG 4.43Å; F152-P160 HydrophobicContact CE2-CG 4.03Å; F152-P160 HydrophobicContact CG-CG 3.67Å; F152-P160 HydrophobicContact CZ-CG 4.38Å; F152-L163 HydrophobicContact CD1-CD1 3.57Å; F152-L163 HydrophobicContact CE1-CD1 4.01Å; F152-F164 AromaticContact CE1-CE2 3.76Å; F152-F164 HydrophobicContact CE1-CE2 3.76Å; F152-F164 HydrophobicContact CE1-CZ 4.47Å; F152-F164 HydrophobicContact CZ-CE2 4.03Å; F152-F167 HydrophobicContact CE2-CZ 4.41Å; F152-F167 HydrophobicContact CZ-CE2 4.26Å; F152-V193 HydrophobicContact CZ-CG1 3.82Å; F152-V195 HydrophobicContact CE2-CG2 3.78Å; F152-V195 HydrophobicContact CZ-CG2 4.38Å; F152-V284 HydrophobicContact CD2-CG2 4.45Å; F152-V284 HydrophobicContact CE1-CG1 4.03Å; F152-V284 HydrophobicContact CE2-CG1 4.28Å; F152-V284 HydrophobicContact CE2-CG2 4.13Å; F152-V284 HydrophobicContact CZ-CG1 3.63Å; F152-V284 HydrophobicContact CZ-CG2 4.2Å
153	M	94.9	Very high	91.5	Very high	79 Å²	79	53.7 Å²	53.7	39%	0.389	28%	0.284	S	S	.	.	H	α-helix	trans	-62.4	-38.6	174.6	-73.3	-58.8	-60.7	0	0	112.1	H149 R150 G157 K158 P159	H149-M153 VanDerWaalsContact O-CG 3.29Å; H149-M153 WeakPolarHBondContact O-CG 3.37Å; H149-M153 PolarHBondContact O-N 2.68Å; R150-M153 PolarHBondContact O-N 3Å; M153-G157 WeakPolarHBondContact O-CA 3.4Å; M153-G157 PolarHBondContact O-N 2.71Å; M153-K158 VanDerWaalsContact SD-C 3.54Å; M153-P159 HydrophobicContact SD-CB 4.42Å
154	E	92.8	Very high	92.4	Very high	106 Å²	106	50.3 Å²	50.3	50%	0.495	27%	0.272	S	S	.	.	H	α-helix	trans	-73.9	-41.8	179.2	-72.7	170.9	-170.9	0	0	112.9	R150 I151 F152 R283	R150-E154 WeakPolarHBondContact O-CB 3.36Å; R150-E154 WeakPolarHBondContact O-CG 3.21Å; R150-E154 PolarHBondContact O-N 2.91Å; I151-E154 PolarHBondContact O-N 2.65Å; F152-E154 VanDerWaalsContact C-N 3.31Å; F152-E154 PolarHBondContact O-N 2.73Å; E154-R283 IonicContact OE2-CZ 3.12Å; E154-R283 VanDerWaalsContact OE2-CZ 3.22Å; E154-R283 IonicContact OE2-NH1 3.72Å; E154-R283 PolarHBondContact OE2-NH1 2.93Å; E154-R283 IonicContact OE2-NH2 3.83Å; E154-R283 PolarHBondContact OE2-NH2 3.43Å
155	D	94.4	Very high	93.1	Very high	53 Å²	53	50.3 Å²	50.3	28%	0.283	28%	0.276	S	S	.	.	H	α-helix	trans	-85.6	-33.9	-175.5	-80.3	8.4	0	0	0	113.6	I151 S281 R283	I151-D155 WeakPolarHBondContact O-CB 3.49Å; I151-D155 PolarHBondContact O-N 3.17Å; D155-S281 VanDerWaalsContact OD2-CB 3.32Å; D155-S281 WeakPolarHBondContact OD2-CB 3.42Å; D155-S281 PolarHBondContact OD2-OG 2.93Å; D155-R283 IonicContact OD1-CZ 3.82Å; D155-R283 VanDerWaalsContact OD1-CZ 3.23Å; D155-R283 IonicContact OD1-NE 2.72Å; D155-R283 PolarHBondContact OD1-NE 3.32Å; D155-R283 IonicContact OD1-NH2 2.95Å; D155-R283 PolarHBondContact OD1-NH2 2.9Å; D155-R283 WeakPolarHBondContact OD2-CB 3.47Å; D155-R283 IonicContact OD2-NE 3.49Å; D155-R283 PolarHBondContact OD2-NE 3.36Å
156	F	96	Very high	93.8	Very high	45 Å²	45	51.8 Å²	51.8	20%	0.197	28%	0.282	C	S	.	.	H	α-helix	trans	-119.2	-7.6	-174.7	-58.5	-76.6	0	0	0	113.8	F152 K158 L163 V284	F152-F156 AromaticContact CD1-CD2 3.59Å; F152-F156 HydrophobicContact CD1-CD2 3.59Å; F152-F156 AromaticContact CD1-CE2 3.92Å; F152-F156 HydrophobicContact CD1-CE2 3.92Å; F152-F156 HydrophobicContact CE1-CD2 4.05Å; F152-F156 AromaticContact CE1-CE2 3.93Å; F152-F156 HydrophobicContact CE1-CE2 3.93Å; F152-F156 HydrophobicContact CG-CD2 4.37Å; F152-F156 WeakPolarHBondContact O-CA 3.43Å; F152-F156 WeakPolarHBondContact O-CB 3.44Å; F152-F156 PolarHBondContact O-N 3.43Å; F156-K158 PolarHBondContact O-N 2.84Å; F156-L163 HydrophobicContact CB-CD1 3.7Å; F156-L163 HydrophobicContact CB-CD2 4.46Å; F156-L163 HydrophobicContact CD2-CD1 3.99Å; F156-L163 HydrophobicContact CG-CD1 3.87Å; F156-V284 HydrophobicContact CE2-CB 3.71Å; F156-V284 HydrophobicContact CE2-CG1 3.92Å; F156-V284 HydrophobicContact CE2-CG2 3.88Å; F156-V284 HydrophobicContact CZ-CB 4.01Å; F156-V284 HydrophobicContact CZ-CG1 4.2Å
157	G	95.9	Very high	94.2	Very high	50 Å²	50	47.6 Å²	47.6	52%	0.515	26%	0.258	S	S	.	.	S	Bend	trans	70.6	4.7	-175.5	0	0	0	0	0	114.5	F152 M153	F152-G157 PolarHBondContact O-N 3.41Å; M153-G157 WeakPolarHBondContact O-CA 3.4Å; M153-G157 PolarHBondContact O-N 2.71Å
158	K	95.5	Very high	94.6	Very high	101 Å²	101	51.3 Å²	51.3	44%	0.439	28%	0.276	S	S	.	.	S	Bend	trans	-142.4	148.8	-172.8	-66.4	-174.3	-179.4	-175	0	111.3	F152 M153 F156 E162 L163	F152-K158 CarbonylContact C-O 3.55Å; M153-K158 VanDerWaalsContact SD-C 3.54Å; F156-K158 PolarHBondContact O-N 2.84Å; K158-E162 HydrophobicContact CB-CB 4.39Å; K158-E162 HydrophobicContact CD-CB 4.49Å; K158-L163 HydrophobicContact CB-CD1 4.33Å; K158-L163 HydrophobicContact CB-CD2 4.07Å; K158-L163 HydrophobicContact CB-CG 4.01Å; K158-L163 HydrophobicContact CD-CD2 4.09Å
159	P	95.2	Very high	94.7	Very high	15 Å²	15	55.4 Å²	55.4	10%	0.097	29%	0.291	C	S	.	.			trans	-73.9	160.7	175.6	32.4	-36.1	0	0	0	111.9	M153 T161 E162 L163	M153-P159 HydrophobicContact SD-CB 4.42Å; P159-T161 PolarHBondContact O-N 3.49Å; P159-T161 VanDerWaalsContact O-N 3.13Å; P159-E162 HydrophobicContact CG-CB 4.26Å; P159-E162 HydrophobicContact CG-CG 3.95Å; P159-E162 PolarHBondContact O-N 3.15Å; P159-L163 PolarHBondContact O-N 2.96Å
160	P	94.9	Very high	94.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-54.1	-35.5	177.3	-24.4	32.1	0	0	0	113.5	I148 F152 E162 L163 F164 F167	I148-P160 HydrophobicContact CG2-CG 4.18Å; F152-P160 HydrophobicContact CB-CG 4.11Å; F152-P160 HydrophobicContact CD1-CG 4.09Å; F152-P160 HydrophobicContact CD2-CG 3.67Å; F152-P160 HydrophobicContact CE1-CG 4.43Å; F152-P160 HydrophobicContact CE2-CG 4.03Å; F152-P160 HydrophobicContact CG-CG 3.67Å; F152-P160 HydrophobicContact CZ-CG 4.38Å; P160-E162 PolarHBondContact O-N 3.44Å; P160-L163 PolarHBondContact O-N 3.46Å; P160-F164 HydrophobicContact CB-CD2 4.29Å; P160-F164 WeakPolarHBondContact O-CD2 3.29Å; P160-F164 PolarHBondContact O-N 3.33Å; P160-F167 HydrophobicContact CB-CB 4.09Å; P160-F167 HydrophobicContact CB-CD1 3.85Å; P160-F167 HydrophobicContact CB-CD2 3.81Å; P160-F167 HydrophobicContact CB-CE1 4.23Å; P160-F167 HydrophobicContact CB-CE2 4.19Å; P160-F167 HydrophobicContact CB-CG 3.63Å; P160-F167 HydrophobicContact CB-CZ 4.38Å; P160-F167 HydrophobicContact CG-CD1 4.44Å; P160-F167 HydrophobicContact CG-CE1 4.42Å
161	T	93.4	Very high	94.7	Very high	90 Å²	90	57.2 Å²	57.2	55%	0.552	30%	0.303	S	S	*	.	H	α-helix	trans	-65.3	-18.3	-179.8	50	0	0	0	0	114.3	P159 Y169	P159-T161 PolarHBondContact O-N 3.49Å; P159-T161 VanDerWaalsContact O-N 3.13Å; T161-Y169 HydrophobicContact CG2-CE2 4.34Å
162	E	94.8	Very high	94.5	Very high	112 Å²	112	61.9 Å²	61.9	52%	0.523	33%	0.328	S	S	.	.	H	α-helix	trans	-96.3	-27.7	173.1	-74.8	-175.1	-151.6	0	0	112.6	K158 P159 P160 H186	K158-E162 HydrophobicContact CB-CB 4.39Å; K158-E162 HydrophobicContact CD-CB 4.49Å; P159-E162 HydrophobicContact CG-CB 4.26Å; P159-E162 HydrophobicContact CG-CG 3.95Å; P159-E162 PolarHBondContact O-N 3.15Å; P160-E162 PolarHBondContact O-N 3.44Å; E162-H186 PolarHBondContact O-NE2 3.02Å
163	L	95.1	Very high	94	Very high	24 Å²	24	64.3 Å²	64.3	13%	0.126	35%	0.347	C	S	.	.	H	α-helix	trans	-83.2	-28.5	-178.3	-65.5	170	0	0	0	112.7	F152 F156 K158 P159 P160 H186 L279	F152-L163 HydrophobicContact CD1-CD1 3.57Å; F152-L163 HydrophobicContact CE1-CD1 4.01Å; F156-L163 HydrophobicContact CB-CD1 3.7Å; F156-L163 HydrophobicContact CB-CD2 4.46Å; F156-L163 HydrophobicContact CD2-CD1 3.99Å; F156-L163 HydrophobicContact CG-CD1 3.87Å; K158-L163 HydrophobicContact CB-CD1 4.33Å; K158-L163 HydrophobicContact CB-CD2 4.07Å; K158-L163 HydrophobicContact CB-CG 4.01Å; K158-L163 HydrophobicContact CD-CD2 4.09Å; P159-L163 PolarHBondContact O-N 2.96Å; P160-L163 PolarHBondContact O-N 3.46Å; L163-H186 PolarHBondContact O-CD2 3.35Å; L163-H186 VanDerWaalsContact O-CD2 3.27Å; L163-H186 PolarHBondContact O-NE2 2.89Å; L163-L279 HydrophobicContact CB-CD2 4.14Å; L163-L279 HydrophobicContact CD2-CD2 4.14Å
164	F	97	Very high	93.4	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.009	34%	0.34	C	S	.	.	S	Bend	trans	-118.3	151.2	-180	-59.1	-79.6	0	0	0	111	F152 P160 S166 F167 A183 V184 H186 V191 V193 L279 T286	F152-F164 AromaticContact CE1-CE2 3.76Å; F152-F164 HydrophobicContact CE1-CE2 3.76Å; F152-F164 HydrophobicContact CE1-CZ 4.47Å; F152-F164 HydrophobicContact CZ-CE2 4.03Å; P160-F164 HydrophobicContact CB-CD2 4.29Å; P160-F164 WeakPolarHBondContact O-CD2 3.29Å; P160-F164 PolarHBondContact O-N 3.33Å; F164-S166 VanDerWaalsContact C-N 3.3Å; F164-S166 WeakPolarHBondContact CB-O 3.29Å; F164-F167 HydrophobicContact CB-CB 4.43Å; F164-F167 AromaticContact CD2-CD2 3.62Å; F164-F167 HydrophobicContact CD2-CD2 3.62Å; F164-F167 HydrophobicContact CD2-CE2 4.32Å; F164-F167 HydrophobicContact CD2-CG 4.45Å; F164-F167 AromaticContact CE2-CD2 3.88Å; F164-F167 HydrophobicContact CE2-CD2 3.88Å; F164-F167 HydrophobicContact CE2-CE2 4.12Å; F164-F167 HydrophobicContact CG-CD2 4.27Å; F164-A183 HydrophobicContact CB-CB 4.32Å; F164-A183 HydrophobicContact CD1-CB 3.76Å; F164-A183 HydrophobicContact CD2-CB 4.46Å; F164-A183 HydrophobicContact CE1-CB 4.17Å; F164-A183 HydrophobicContact CG-CB 3.93Å; F164-V184 CarbonylContact C-O 3.49Å; F164-V184 WeakPolarHBondContact CB-O 3.45Å; F164-H186 VanDerWaalsContact C-CE1 3.4Å; F164-H186 PolarHBondContact O-CE1 2.9Å; F164-V191 HydrophobicContact CD1-CG2 4.22Å; F164-V191 HydrophobicContact CE1-CG2 3.93Å; F164-V193 HydrophobicContact CE1-CG2 3.84Å; F164-V193 HydrophobicContact CE2-CG1 4.5Å; F164-V193 HydrophobicContact CE2-CG2 4.29Å; F164-V193 HydrophobicContact CZ-CG1 4.15Å; F164-V193 HydrophobicContact CZ-CG2 3.61Å; F164-L279 HydrophobicContact CD1-CD1 4.24Å; F164-L279 HydrophobicContact CE1-CD1 3.67Å; F164-L279 HydrophobicContact CZ-CD1 4.15Å; F164-T286 HydrophobicContact CE1-CG2 3.96Å; F164-T286 HydrophobicContact CZ-CG2 4.31Å
165	A	96.6	Very high	92.7	Very high	64 Å²	64	59.4 Å²	59.4	53%	0.529	34%	0.338	S	S	.	.	S	Bend	trans	-67.5	-35.5	171.4	0	0	0	0	0	111.2	V184	A165-V184 PolarHBondContact N-O 3.34Å
166	S	96.8	Very high	91.7	Very high	59 Å²	59	57.5 Å²	57.5	41%	0.413	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	146.9	169.4	67	0	0	0	0	110.1	F164 A183 V184	F164-S166 VanDerWaalsContact C-N 3.3Å; F164-S166 WeakPolarHBondContact CB-O 3.29Å; S166-A183 CarbonylContact O-C 3.57Å; S166-A183 VanDerWaalsContact O-CA 3.24Å; S166-A183 WeakPolarHBondContact O-CA 3.45Å; S166-A183 VanDerWaalsContact O-CB 3.28Å; S166-A183 WeakPolarHBondContact O-CB 3.48Å; S166-V184 PolarHBondContact N-O 2.71Å; S166-V184 PolarHBondContact O-N 2.86Å; S166-V184 WeakPolarHBondContact OG-CB 3.44Å; S166-V184 WeakPolarHBondContact OG-CG2 3.48Å
167	F	96.6	Very high	91	Very high	23 Å²	23	55.9 Å²	55.9	10%	0.101	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	120.7	179.1	-173.3	-87.3	0	0	0	110	I148 F152 P160 F164 Y169 H181 A183 V193	I148-F167 HydrophobicContact CG2-CE1 4.15Å; I148-F167 HydrophobicContact CG2-CZ 4.12Å; F152-F167 HydrophobicContact CE2-CZ 4.41Å; F152-F167 HydrophobicContact CZ-CE2 4.26Å; P160-F167 HydrophobicContact CB-CB 4.09Å; P160-F167 HydrophobicContact CB-CD1 3.85Å; P160-F167 HydrophobicContact CB-CD2 3.81Å; P160-F167 HydrophobicContact CB-CE1 4.23Å; P160-F167 HydrophobicContact CB-CE2 4.19Å; P160-F167 HydrophobicContact CB-CG 3.63Å; P160-F167 HydrophobicContact CB-CZ 4.38Å; P160-F167 HydrophobicContact CG-CD1 4.44Å; P160-F167 HydrophobicContact CG-CE1 4.42Å; F164-F167 HydrophobicContact CB-CB 4.43Å; F164-F167 AromaticContact CD2-CD2 3.62Å; F164-F167 HydrophobicContact CD2-CD2 3.62Å; F164-F167 HydrophobicContact CD2-CE2 4.32Å; F164-F167 HydrophobicContact CD2-CG 4.45Å; F164-F167 AromaticContact CE2-CD2 3.88Å; F164-F167 HydrophobicContact CE2-CD2 3.88Å; F164-F167 HydrophobicContact CE2-CE2 4.12Å; F164-F167 HydrophobicContact CG-CD2 4.27Å; F167-Y169 HydrophobicContact CD1-CD1 4.29Å; F167-Y169 HydrophobicContact CD1-CD2 4.26Å; F167-Y169 HydrophobicContact CD1-CE1 4.33Å; F167-Y169 HydrophobicContact CD1-CE2 4.3Å; F167-Y169 HydrophobicContact CD1-CG 4.26Å; F167-Y169 HydrophobicContact CE1-CD1 4.18Å; F167-Y169 HydrophobicContact CE1-CE1 4.36Å; F167-Y169 HydrophobicContact CE1-CG 4.45Å; F167-Y169 PolarHBondContact O-N 3.43Å; F167-H181 HydrophobicContact CE1-CB 4.06Å; F167-H181 AromaticContact CE1-CG 3.98Å; F167-H181 HydrophobicContact CE2-CB 3.96Å; F167-H181 HydrophobicContact CZ-CB 3.52Å; F167-H181 AromaticContact CZ-CG 3.65Å; F167-A183 HydrophobicContact CB-CB 4.47Å; F167-A183 HydrophobicContact CD2-CB 3.7Å; F167-A183 HydrophobicContact CE2-CB 4.41Å; F167-A183 HydrophobicContact CG-CB 4.45Å; F167-V193 HydrophobicContact CE2-CB 3.98Å; F167-V193 HydrophobicContact CE2-CG1 4Å; F167-V193 HydrophobicContact CE2-CG2 4.13Å
168	E	94.9	Very high	90.7	Very high	91 Å²	91	53.7 Å²	53.7	43%	0.425	30%	0.299	S	S	.	.			trans	-85.2	104.9	178	-65	-176.4	-151.8	0	0	110.6	K170 H181 R182	E168-K170 PolarHBondContact O-N 3.03Å; E168-H181 PolarHBondContact O-ND1 3.07Å; E168-R182 WeakPolarHBondContact CB-O 3.35Å; E168-R182 HydrophobicContact CG-CB 4.46Å; E168-R182 PolarHBondContact N-O 3.44Å; E168-R182 IonicContact OE1-NH1 3.54Å
169	Y	92.3	Very high	90.4	Very high	88 Å²	88	49 Å²	49	35%	0.345	28%	0.279	S	S	.	.	S	Bend	trans	-64.9	-18.3	176.9	-76.5	-83.6	0	0	0	114	I148 T161 F167 H181	I148-Y169 HydrophobicContact CD1-CD1 4.28Å; T161-Y169 HydrophobicContact CG2-CE2 4.34Å; F167-Y169 HydrophobicContact CD1-CD1 4.29Å; F167-Y169 HydrophobicContact CD1-CD2 4.26Å; F167-Y169 HydrophobicContact CD1-CE1 4.33Å; F167-Y169 HydrophobicContact CD1-CE2 4.3Å; F167-Y169 HydrophobicContact CD1-CG 4.26Å; F167-Y169 HydrophobicContact CE1-CD1 4.18Å; F167-Y169 HydrophobicContact CE1-CE1 4.36Å; F167-Y169 HydrophobicContact CE1-CG 4.45Å; F167-Y169 PolarHBondContact O-N 3.43Å; Y169-H181 PolarHBondContact O-CE1 3.4Å; Y169-H181 PolarHBondContact O-ND1 3.46Å
170	K	91.5	Very high	90.4	Very high	171 Å²	171	50 Å²	50	74%	0.743	29%	0.285	S	S	*	.	S	Bend	trans	-75.1	122.3	169.9	-174.7	-179.5	178.3	-176.1	0	108.1	E168 L172	E168-K170 PolarHBondContact O-N 3.03Å; K170-L172 PolarHBondContact O-N 3.43Å
171	P	91	Very high	90.4	Very high	26 Å²	26	50 Å²	50	17%	0.169	29%	0.285	C	S	.	.			trans	-65.7	135.1	178.7	28.2	-34.7	0	0	0	110.1	V142 Q179 V180	V142-P171 HydrophobicContact CG1-CG 3.77Å; V142-P171 HydrophobicContact CG2-CG 4.09Å; P171-Q179 HydrophobicContact CB-CB 4.18Å; P171-V180 CarbonylContact C-O 3.48Å; P171-V180 WeakPolarHBondContact CA-O 3.33Å
172	L	88.7	Confident	90.5	Very high	100 Å²	100	49.4 Å²	49.4	52%	0.524	27%	0.272	S	S	.	.	S	Bend	trans	-68	-41	168.8	179	72.4	0	0	0	110.5	K170 V180 F289	K170-L172 PolarHBondContact O-N 3.43Å; L172-V180 WeakPolarHBondContact CB-O 3.44Å; L172-V180 PolarHBondContact N-O 3.42Å; L172-F289 HydrophobicContact CD2-CD2 4.41Å; L172-F289 HydrophobicContact CD2-CE2 3.58Å; L172-F289 HydrophobicContact CD2-CZ 4.46Å
173	A	85	Confident	90.6	Very high	51 Å²	51	44.1 Å²	44.1	42%	0.421	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	153	176.8	0	0	0	0	0	109.8	Q179 V180	A173-Q179 CarbonylContact O-C 3.6Å; A173-Q179 WeakPolarHBondContact O-CA 3.26Å; A173-V180 HydrophobicContact CB-CB 4.41Å; A173-V180 PolarHBondContact N-O 2.88Å; A173-V180 PolarHBondContact O-N 3.02Å
174	A	83.4	Confident	90.8	Very high	28 Å²	28	44.6 Å²	44.6	23%	0.231	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.9	171.5	0	0	0	0	0	109.2	A140 V142 Q179	A140-A174 HydrophobicContact CB-CB 3.77Å; A140-A174 VanDerWaalsContact CB-O 3.24Å; A140-A174 WeakPolarHBondContact CB-O 3.24Å; V142-A174 HydrophobicContact CG2-CB 4.19Å; A174-Q179 HydrophobicContact CB-CB 4.24Å
175	A	77	Confident	90.7	Very high	54 Å²	54	44.6 Å²	44.6	45%	0.446	25%	0.251	S	S	.	.			trans	-128.6	-167.9	-177.9	0	0	0	0	0	110	A178 Y197	A175-A178 PolarHBondContact N-O 3.31Å; A175-Y197 PolarHBondContact O-OH 2.9Å
176	S	74.2	Confident	90.6	Very high	13 Å²	13	47 Å²	47	9%	0.091	25%	0.252	C	S	.	.	S	Bend	trans	-76.1	-27.4	-178.6	44.8	0	0	0	0	114.4	K113 Q116 Y197	K113-S176 WeakPolarHBondContact CD-OG 3.3Å; Q116-S176 VanDerWaalsContact OE1-CB 3.28Å; Q116-S176 PolarHBondContact OE1-OG 3.48Å; S176-Y197 WeakPolarHBondContact O-CE2 3.25Å
177	L	81.1	Confident	90.3	Very high	12 Å²	12	53 Å²	53	6%	0.063	27%	0.267	C	S	.	.	S	Bend	trans	-114.5	-15.9	-177.6	-60.4	179.2	0	0	0	114.6	K113 Q196 Y197 L200 L238 E241 L242	K113-L177 HydrophobicContact CB-CD2 4Å; K113-L177 HydrophobicContact CB-CG 4.4Å; K113-L177 HydrophobicContact CD-CD1 4.09Å; K113-L177 HydrophobicContact CD-CG 4.1Å; K113-L177 HydrophobicContact CG-CD1 4.08Å; K113-L177 HydrophobicContact CG-CD2 4.16Å; K113-L177 HydrophobicContact CG-CG 4.13Å; L177-Q196 WeakPolarHBondContact O-CA 3.41Å; L177-Y197 PolarHBondContact O-N 3.31Å; L177-L200 HydrophobicContact CB-CD1 3.94Å; L177-L200 HydrophobicContact CD2-CD1 3.78Å; L177-L200 HydrophobicContact CD2-CD2 3.96Å; L177-L200 HydrophobicContact CD2-CG 4.49Å; L177-L200 HydrophobicContact CG-CD1 4.47Å; L177-L200 WeakPolarHBondContact O-CD1 3.27Å; L177-L238 HydrophobicContact CD1-CD2 4.47Å; L177-E241 HydrophobicContact CD1-CB 4.15Å; L177-E241 VanDerWaalsContact CD1-OE2 3.31Å; L177-E241 WeakPolarHBondContact CD1-OE2 3.27Å; L177-L242 HydrophobicContact CD1-CD2 4.06Å; L177-L242 HydrophobicContact CD2-CD2 4.22Å
178	A	88.6	Confident	90.1	Very high	4 Å²	4	54.7 Å²	54.7	3%	0.033	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	163.6	-169.6	0	0	0	0	0	112.1	A175 K194 V195 Y197 F244	A175-A178 PolarHBondContact N-O 3.31Å; A178-K194 HydrophobicContact CB-CG 3.82Å; A178-V195 CarbonylContact C-O 3.51Å; A178-V195 WeakPolarHBondContact CA-O 3.2Å; A178-V195 VanDerWaalsContact CB-O 3.28Å; A178-V195 WeakPolarHBondContact CB-O 3.24Å; A178-Y197 PolarHBondContact O-OH 3.36Å; A178-F244 HydrophobicContact CB-CE2 4.42Å; A178-F244 HydrophobicContact CB-CZ 3.79Å
179	Q	90.9	Very high	90	Very high	3 Å²	3	54.2 Å²	54.2	1%	0.014	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	145.1	171.9	56.1	-175.6	24.6	0	0	110.4	I148 P171 A173 A174 H181 K194 V195 Y197	I148-Q179 VanDerWaalsContact CD1-NE2 3.32Å; I148-Q179 VanDerWaalsContact CG1-NE2 3.3Å; P171-Q179 HydrophobicContact CB-CB 4.18Å; A173-Q179 CarbonylContact O-C 3.6Å; A173-Q179 WeakPolarHBondContact O-CA 3.26Å; A174-Q179 HydrophobicContact CB-CB 4.24Å; Q179-H181 WeakPolarHBondContact CG-NE2 3.27Å; Q179-H181 PolarHBondContact NE2-NE2 3.49Å; Q179-K194 CarbonylContact O-C 3.56Å; Q179-K194 WeakPolarHBondContact O-CA 3.34Å; Q179-V195 PolarHBondContact N-O 3.08Å; Q179-V195 PolarHBondContact O-N 3.27Å; Q179-Y197 HydrophobicContact CB-CE1 4.31Å; Q179-Y197 HydrophobicContact CG-CE1 4.19Å
180	V	93.5	Very high	90.2	Very high	36 Å²	36	54 Å²	54	22%	0.218	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.5	-176	-177.7	0	0	0	0	108.9	P171 L172 A173 A192 V193 K194	P171-V180 CarbonylContact C-O 3.48Å; P171-V180 WeakPolarHBondContact CA-O 3.33Å; L172-V180 WeakPolarHBondContact CB-O 3.44Å; L172-V180 PolarHBondContact N-O 3.42Å; A173-V180 HydrophobicContact CB-CB 4.41Å; A173-V180 PolarHBondContact N-O 2.88Å; A173-V180 PolarHBondContact O-N 3.02Å; V180-A192 HydrophobicContact CG1-CB 3.93Å; V180-V193 CarbonylContact C-O 3.59Å; V180-V193 WeakPolarHBondContact CA-O 3.29Å; V180-K194 HydrophobicContact CG2-CB 4.14Å; V180-K194 HydrophobicContact CG2-CG 4.11Å
181	H	95.5	Very high	90.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	149.2	178.7	-66	-90.9	0	0	0	110.1	I148 F167 E168 Y169 Q179 A192 V193	I148-H181 WeakPolarHBondContact CD1-CE1 3.14Å; I148-H181 VanDerWaalsContact CD1-NE2 3.3Å; I148-H181 WeakPolarHBondContact CD1-NE2 3.29Å; F167-H181 HydrophobicContact CE1-CB 4.06Å; F167-H181 AromaticContact CE1-CG 3.98Å; F167-H181 HydrophobicContact CE2-CB 3.96Å; F167-H181 HydrophobicContact CZ-CB 3.52Å; F167-H181 AromaticContact CZ-CG 3.65Å; E168-H181 PolarHBondContact O-ND1 3.07Å; Y169-H181 PolarHBondContact O-CE1 3.4Å; Y169-H181 PolarHBondContact O-ND1 3.46Å; Q179-H181 WeakPolarHBondContact CG-NE2 3.27Å; Q179-H181 PolarHBondContact NE2-NE2 3.49Å; H181-A192 CarbonylContact O-C 3.5Å; H181-A192 WeakPolarHBondContact O-CA 3.28Å; H181-V193 HydrophobicContact CB-CB 4.46Å; H181-V193 PolarHBondContact N-O 3.46Å; H181-V193 PolarHBondContact O-N 2.87Å
182	R	96.4	Very high	90.8	Very high	76 Å²	76	45.7 Å²	45.7	29%	0.287	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	136.5	170.1	-170.6	176.5	-178.8	-156.7	4.6	109	E168 E190	E168-R182 WeakPolarHBondContact CB-O 3.35Å; E168-R182 HydrophobicContact CG-CB 4.46Å; E168-R182 PolarHBondContact N-O 3.44Å; E168-R182 IonicContact OE1-NH1 3.54Å; R182-E190 IonicContact CZ-OE2 3.9Å; R182-E190 IonicContact NE-OE2 2.73Å; R182-E190 PolarHBondContact NE-OE2 3.35Å; R182-E190 IonicContact NH2-OE1 3.39Å; R182-E190 PolarHBondContact NH2-OE1 2.89Å; R182-E190 VanDerWaalsContact NH2-OE1 3.11Å; R182-E190 IonicContact NH2-OE2 2.76Å; R182-E190 PolarHBondContact NH2-OE2 3.07Å
183	A	97.3	Very high	91.2	Very high	1 Å²	1	41 Å²	41	1%	0.008	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	166.5	176.3	0	0	0	0	0	110.9	F164 S166 F167 V191 V193	F164-A183 HydrophobicContact CB-CB 4.32Å; F164-A183 HydrophobicContact CD1-CB 3.76Å; F164-A183 HydrophobicContact CD2-CB 4.46Å; F164-A183 HydrophobicContact CE1-CB 4.17Å; F164-A183 HydrophobicContact CG-CB 3.93Å; S166-A183 CarbonylContact O-C 3.57Å; S166-A183 VanDerWaalsContact O-CA 3.24Å; S166-A183 WeakPolarHBondContact O-CA 3.45Å; S166-A183 VanDerWaalsContact O-CB 3.28Å; S166-A183 WeakPolarHBondContact O-CB 3.48Å; F167-A183 HydrophobicContact CB-CB 4.47Å; F167-A183 HydrophobicContact CD2-CB 3.7Å; F167-A183 HydrophobicContact CE2-CB 4.41Å; F167-A183 HydrophobicContact CG-CB 4.45Å; A183-V191 HydrophobicContact CB-CG2 3.93Å; A183-V191 PolarHBondContact N-O 3.41Å; A183-V191 WeakPolarHBondContact O-CG2 3.34Å; A183-V191 PolarHBondContact O-N 3.26Å; A183-V193 HydrophobicContact CB-CG2 3.77Å
184	V	97.4	Very high	91.7	Very high	34 Å²	34	40.5 Å²	40.5	21%	0.206	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.1	173	-177.3	0	0	0	0	108.2	F164 A165 S166 E189 E190	F164-V184 CarbonylContact C-O 3.49Å; F164-V184 WeakPolarHBondContact CB-O 3.45Å; A165-V184 PolarHBondContact N-O 3.34Å; S166-V184 PolarHBondContact N-O 2.71Å; S166-V184 PolarHBondContact O-N 2.86Å; S166-V184 WeakPolarHBondContact OG-CB 3.44Å; S166-V184 WeakPolarHBondContact OG-CG2 3.48Å; V184-E189 CarbonylContact C-O 3.48Å; V184-E189 WeakPolarHBondContact CA-O 3.35Å; V184-E190 HydrophobicContact CG2-CG 4.41Å
185	T	95.4	Very high	92.2	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.012	21%	0.209	C	C	.	.			trans	-67.9	161.9	176.8	72.1	0	0	0	0	110.6	Y187 G188 E189 V191	T185-Y187 PolarHBondContact O-N 2.87Å; T185-Y187 PolarHBondContact OG1-N 3.25Å; T185-G188 PolarHBondContact O-N 2.82Å; T185-E189 HydrophobicContact CG2-CB 4.23Å; T185-E189 PolarHBondContact N-O 3.11Å; T185-E189 WeakPolarHBondContact OG1-CB 3.38Å; T185-E189 PolarHBondContact OG1-N 2.96Å; T185-E189 PolarHBondContact OG1-OE2 2.83Å; T185-V191 HydrophobicContact CG2-CB 4.46Å; T185-V191 HydrophobicContact CG2-CG1 3.62Å; T185-V191 HydrophobicContact CG2-CG2 3.96Å
186	H	94.2	Very high	92.9	Very high	116 Å²	116	36.8 Å²	36.8	54%	0.537	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-13.2	172	-69.6	-57	0	0	0	113.8	E162 L163 F164	E162-H186 PolarHBondContact O-NE2 3.02Å; L163-H186 PolarHBondContact O-CD2 3.35Å; L163-H186 VanDerWaalsContact O-CD2 3.27Å; L163-H186 PolarHBondContact O-NE2 2.89Å; F164-H186 VanDerWaalsContact C-CE1 3.4Å; F164-H186 PolarHBondContact O-CE1 2.9Å
187	Y	91.8	Very high	93.5	Very high	184 Å²	184	36.2 Å²	36.2	72%	0.722	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.3	1.2	174.6	-56.2	-68.2	0	0	0	113.4	T185	T185-Y187 PolarHBondContact O-N 2.87Å; T185-Y187 PolarHBondContact OG1-N 3.25Å
188	G	92.6	Very high	93.5	Very high	58 Å²	58	36.6 Å²	36.6	60%	0.598	19%	0.185	S	C	*	.	S	Bend	trans	83.5	14.2	178.6	0	0	0	0	0	114.6	T185	T185-G188 PolarHBondContact O-N 2.82Å
189	E	93.1	Very high	92.9	Very high	82 Å²	82	37.6 Å²	37.6	38%	0.383	19%	0.19	S	C	.	.			trans	-88.5	132.7	178.6	-59.2	168	129.9	0	0	110.1	V184 T185 W274	V184-E189 CarbonylContact C-O 3.48Å; V184-E189 WeakPolarHBondContact CA-O 3.35Å; T185-E189 HydrophobicContact CG2-CB 4.23Å; T185-E189 PolarHBondContact N-O 3.11Å; T185-E189 WeakPolarHBondContact OG1-CB 3.38Å; T185-E189 PolarHBondContact OG1-N 2.96Å; T185-E189 PolarHBondContact OG1-OE2 2.83Å; E189-W274 HydrophobicContact CB-CH2 4.07Å; E189-W274 HydrophobicContact CB-CZ2 4.02Å; E189-W274 HydrophobicContact CG-CZ2 4.38Å
190	E	96.4	Very high	92.3	Very high	84 Å²	84	37.8 Å²	37.8	39%	0.393	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	129.8	172	-62.7	-163	-178.3	0	0	110.8	R182 V184 F289	R182-E190 IonicContact CZ-OE2 3.9Å; R182-E190 IonicContact NE-OE2 2.73Å; R182-E190 PolarHBondContact NE-OE2 3.35Å; R182-E190 IonicContact NH2-OE1 3.39Å; R182-E190 PolarHBondContact NH2-OE1 2.89Å; R182-E190 VanDerWaalsContact NH2-OE1 3.11Å; R182-E190 IonicContact NH2-OE2 2.76Å; R182-E190 PolarHBondContact NH2-OE2 3.07Å; V184-E190 HydrophobicContact CG2-CG 4.41Å; E190-F289 HydrophobicContact CB-CB 3.93Å; E190-F289 HydrophobicContact CB-CD1 4.38Å; E190-F289 WeakPolarHBondContact O-CB 3.26Å; E190-F289 PolarHBondContact O-N 3.03Å; E190-F289 WeakPolarHBondContact OE2-CD1 3.42Å
191	V	97.2	Very high	91.3	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	147.1	-175.9	-65.8	0	0	0	0	112.2	F164 A183 T185 V193 W274 T286 A287	F164-V191 HydrophobicContact CD1-CG2 4.22Å; F164-V191 HydrophobicContact CE1-CG2 3.93Å; A183-V191 HydrophobicContact CB-CG2 3.93Å; A183-V191 PolarHBondContact N-O 3.41Å; A183-V191 WeakPolarHBondContact O-CG2 3.34Å; A183-V191 PolarHBondContact O-N 3.26Å; T185-V191 HydrophobicContact CG2-CB 4.46Å; T185-V191 HydrophobicContact CG2-CG1 3.62Å; T185-V191 HydrophobicContact CG2-CG2 3.96Å; V191-V193 HydrophobicContact CG2-CG2 4.06Å; V191-W274 HydrophobicContact CG1-CH2 3.54Å; V191-W274 HydrophobicContact CG1-CZ2 4.24Å; V191-W274 HydrophobicContact CG1-CZ3 4.21Å; V191-T286 HydrophobicContact CB-CG2 3.86Å; V191-T286 HydrophobicContact CG1-CG2 4.09Å; V191-T286 HydrophobicContact CG2-CG2 3.85Å; V191-A287 CarbonylContact C-O 3.51Å; V191-A287 WeakPolarHBondContact CA-O 3.42Å; V191-A287 VanDerWaalsContact CB-O 3.28Å; V191-A287 WeakPolarHBondContact CB-O 3.41Å
192	A	96.7	Very high	90.3	Very high	22 Å²	22	47.9 Å²	47.9	18%	0.182	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.8	166.7	0	0	0	0	0	108.9	V180 H181 A287 F289	V180-A192 HydrophobicContact CG1-CB 3.93Å; H181-A192 CarbonylContact O-C 3.5Å; H181-A192 WeakPolarHBondContact O-CA 3.28Å; A192-A287 PolarHBondContact N-O 3.26Å; A192-A287 PolarHBondContact O-N 3.43Å; A192-F289 HydrophobicContact CB-CD2 4.31Å
193	V	97	Very high	89.5	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	102.8	-176.8	-170.8	0	0	0	0	109.4	F152 F164 F167 V180 H181 A183 V191 V195 V284 L285 T286	F152-V193 HydrophobicContact CZ-CG1 3.82Å; F164-V193 HydrophobicContact CE1-CG2 3.84Å; F164-V193 HydrophobicContact CE2-CG1 4.5Å; F164-V193 HydrophobicContact CE2-CG2 4.29Å; F164-V193 HydrophobicContact CZ-CG1 4.15Å; F164-V193 HydrophobicContact CZ-CG2 3.61Å; F167-V193 HydrophobicContact CE2-CB 3.98Å; F167-V193 HydrophobicContact CE2-CG1 4Å; F167-V193 HydrophobicContact CE2-CG2 4.13Å; V180-V193 CarbonylContact C-O 3.59Å; V180-V193 WeakPolarHBondContact CA-O 3.29Å; H181-V193 HydrophobicContact CB-CB 4.46Å; H181-V193 PolarHBondContact N-O 3.46Å; H181-V193 PolarHBondContact O-N 2.87Å; A183-V193 HydrophobicContact CB-CG2 3.77Å; V191-V193 HydrophobicContact CG2-CG2 4.06Å; V193-V195 HydrophobicContact CG1-CG2 4.15Å; V193-V284 HydrophobicContact CG1-CG1 3.78Å; V193-L285 CarbonylContact C-O 3.53Å; V193-L285 WeakPolarHBondContact CA-O 3.44Å; V193-T286 HydrophobicContact CG2-CG2 4.32Å
194	K	95.3	Very high	88.8	Confident	42 Å²	42	47.6 Å²	47.6	18%	0.183	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	121.1	178.4	-173.5	-174.1	-174.1	-177.6	0	108.6	A178 Q179 V180 F244 E247 V284 L285 D412	A178-K194 HydrophobicContact CB-CG 3.82Å; Q179-K194 CarbonylContact O-C 3.56Å; Q179-K194 WeakPolarHBondContact O-CA 3.34Å; V180-K194 HydrophobicContact CG2-CB 4.14Å; V180-K194 HydrophobicContact CG2-CG 4.11Å; K194-F244 HydrophobicContact CB-CE2 4.32Å; K194-F244 HydrophobicContact CD-CE1 3.93Å; K194-F244 HydrophobicContact CD-CE2 4.08Å; K194-F244 HydrophobicContact CD-CZ 3.65Å; K194-F244 HydrophobicContact CG-CE1 4.48Å; K194-F244 HydrophobicContact CG-CE2 3.82Å; K194-F244 HydrophobicContact CG-CZ 3.7Å; K194-F244 WeakPolarHBondContact O-CE2 3.3Å; K194-E247 VanDerWaalsContact NZ-CD 3.3Å; K194-E247 IonicContact NZ-OE1 3.63Å; K194-E247 PolarHBondContact NZ-OE1 3.41Å; K194-E247 VanDerWaalsContact NZ-OE1 3.1Å; K194-E247 IonicContact NZ-OE2 3.22Å; K194-E247 PolarHBondContact NZ-OE2 2.91Å; K194-V284 CarbonylContact O-C 3.6Å; K194-V284 WeakPolarHBondContact O-CA 3.41Å; K194-L285 HydrophobicContact CB-CB 4.18Å; K194-L285 HydrophobicContact CD-CD2 4.37Å; K194-L285 PolarHBondContact N-O 2.87Å; K194-L285 PolarHBondContact O-N 3.26Å; K194-D412 IonicContact NZ-OD1 2.89Å
195	V	94.7	Very high	88.1	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	119.3	-176.5	-173.9	0	0	0	0	108.5	I151 F152 A178 Q179 V193 V284	I151-V195 HydrophobicContact CB-CG1 4.48Å; I151-V195 HydrophobicContact CD1-CG1 3.76Å; I151-V195 HydrophobicContact CG2-CG1 4.22Å; F152-V195 HydrophobicContact CE2-CG2 3.78Å; F152-V195 HydrophobicContact CZ-CG2 4.38Å; A178-V195 CarbonylContact C-O 3.51Å; A178-V195 WeakPolarHBondContact CA-O 3.2Å; A178-V195 VanDerWaalsContact CB-O 3.28Å; A178-V195 WeakPolarHBondContact CB-O 3.24Å; Q179-V195 PolarHBondContact N-O 3.08Å; Q179-V195 PolarHBondContact O-N 3.27Å; V193-V195 HydrophobicContact CG1-CG2 4.15Å; V195-V284 HydrophobicContact CG1-CG2 4.46Å
196	Q	92	Very high	87.5	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.009	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	150.5	176.9	-175.8	177.9	78.8	0	0	111	I151 L177 L200 L242 F244 R283	I151-Q196 WeakPolarHBondContact CD1-O 3.4Å; L177-Q196 WeakPolarHBondContact O-CA 3.41Å; Q196-L200 HydrophobicContact CG-CD1 4Å; Q196-L242 HydrophobicContact CG-CD2 4.46Å; Q196-L242 VanDerWaalsContact NE2-CA 3.29Å; Q196-L242 PolarHBondContact NE2-O 3.22Å; Q196-F244 HydrophobicContact CB-CE2 4.01Å; Q196-F244 HydrophobicContact CB-CZ 4.2Å; Q196-R283 HydrophobicContact CB-CB 4.15Å; Q196-R283 WeakPolarHBondContact CB-O 3.27Å; Q196-R283 PolarHBondContact N-O 2.91Å
197	Y	86.9	Confident	87.1	Confident	2 Å²	2	47.1 Å²	47.1	1%	0.008	24%	0.243	C	C	.	.			trans	-69.6	135.6	171.1	-52.9	-48.8	0	0	0	111.3	L141 R143 E147 A175 S176 L177 A178 Q179 D199 L200	L141-Y197 PolarHBondContact O-OH 3.32Å; R143-Y197 HydrophobicContact CB-CD1 4.28Å; R143-Y197 HydrophobicContact CB-CE1 4.35Å; R143-Y197 HydrophobicContact CG-CD1 3.34Å; R143-Y197 HydrophobicContact CG-CE1 3.51Å; R143-Y197 HydrophobicContact CG-CG 4.24Å; E147-Y197 WeakPolarHBondContact OE1-CA 3.43Å; A175-Y197 PolarHBondContact O-OH 2.9Å; S176-Y197 WeakPolarHBondContact O-CE2 3.25Å; L177-Y197 PolarHBondContact O-N 3.31Å; A178-Y197 PolarHBondContact O-OH 3.36Å; Q179-Y197 HydrophobicContact CB-CE1 4.31Å; Q179-Y197 HydrophobicContact CG-CE1 4.19Å; Y197-D199 PolarHBondContact O-N 3.32Å; Y197-D199 VanDerWaalsContact O-N 3.17Å; Y197-L200 HydrophobicContact CD2-CD1 3.82Å; Y197-L200 HydrophobicContact CD2-CG 4.48Å; Y197-L200 HydrophobicContact CG-CD1 4.21Å; Y197-L200 PolarHBondContact O-N 3.24Å
198	E	81.4	Confident	86.7	Confident	19 Å²	19	38.4 Å²	38.4	9%	0.089	21%	0.209	C	C	.	.	H	α-helix	trans	-56.5	-37.1	-171.8	-176.7	-173.5	-157	0	0	112	R45 E147 R150 I151 L200	R45-E198 IonicContact CZ-OE1 2.77Å; R45-E198 IonicContact NH1-OE1 3.66Å; R45-E198 IonicContact NH2-OE1 2.63Å; R45-E198 PolarHBondContact NH2-OE1 3.33Å; R45-E198 IonicContact NH2-OE2 3.42Å; R45-E198 PolarHBondContact NH2-OE2 2.85Å; R45-E198 VanDerWaalsContact NH2-OE2 3.12Å; E147-E198 HydrophobicContact CG-CB 3.73Å; E147-E198 PolarHBondContact OE1-N 3.28Å; R150-E198 IonicContact CZ-OE1 3.46Å; R150-E198 IonicContact CZ-OE2 3.44Å; R150-E198 IonicContact NE-OE1 3.1Å; R150-E198 PolarHBondContact NE-OE1 3.48Å; R150-E198 IonicContact NE-OE2 3.61Å; R150-E198 PolarHBondContact NE-OE2 3.12Å; R150-E198 IonicContact NH2-OE1 3.97Å; R150-E198 IonicContact NH2-OE2 3.9Å; R150-E198 PolarHBondContact NH2-OE2 2.82Å; I151-E198 HydrophobicContact CD1-CB 4.18Å; I151-E198 HydrophobicContact CG1-CB 4.24Å; E198-L200 PolarHBondContact O-N 3.43Å
199	D	75.5	Confident	86.3	Confident	25 Å²	25	38.1 Å²	38.1	13%	0.134	20%	0.201	C	C	.	.	H	α-helix	trans	-84.5	-8.5	-170.5	65	-18.7	0	0	0	115.2	R143 Y197 R203	R143-D199 IonicContact NH2-OD1 3.56Å; R143-D199 IonicContact NH2-OD2 3.12Å; Y197-D199 PolarHBondContact O-N 3.32Å; Y197-D199 VanDerWaalsContact O-N 3.17Å; D199-R203 WeakPolarHBondContact O-CB 3.43Å; D199-R203 VanDerWaalsContact O-CD 3.26Å; D199-R203 WeakPolarHBondContact O-CD 3.34Å; D199-R203 WeakPolarHBondContact O-CG 3.44Å; D199-R203 PolarHBondContact O-N 2.96Å; D199-R203 IonicContact OD2-CZ 3.45Å; D199-R203 IonicContact OD2-NH1 3.33Å; D199-R203 PolarHBondContact OD2-NH1 2.86Å; D199-R203 IonicContact OD2-NH2 2.68Å; D199-R203 PolarHBondContact OD2-NH2 3.41Å
200	L	77.4	Confident	85.9	Confident	8 Å²	8	34.7 Å²	34.7	4%	0.042	19%	0.186	C	C	.	.	H	α-helix	trans	-71.7	-47.3	-173	-73.2	168.2	0	0	0	112.5	L177 Q196 Y197 E198 R203 F204 L242	L177-L200 HydrophobicContact CB-CD1 3.94Å; L177-L200 HydrophobicContact CD2-CD1 3.78Å; L177-L200 HydrophobicContact CD2-CD2 3.96Å; L177-L200 HydrophobicContact CD2-CG 4.49Å; L177-L200 HydrophobicContact CG-CD1 4.47Å; L177-L200 WeakPolarHBondContact O-CD1 3.27Å; Q196-L200 HydrophobicContact CG-CD1 4Å; Y197-L200 HydrophobicContact CD2-CD1 3.82Å; Y197-L200 HydrophobicContact CD2-CG 4.48Å; Y197-L200 HydrophobicContact CG-CD1 4.21Å; Y197-L200 PolarHBondContact O-N 3.24Å; E198-L200 PolarHBondContact O-N 3.43Å; L200-R203 PolarHBondContact O-N 2.89Å; L200-F204 WeakPolarHBondContact O-CB 3.25Å; L200-F204 PolarHBondContact O-N 3.11Å; L200-L242 HydrophobicContact CB-CD2 4.15Å; L200-L242 HydrophobicContact CD1-CD2 4.34Å
201	R	73.7	Confident	85.3	Confident	114 Å²	114	32.1 Å²	32.1	43%	0.43	17%	0.174	S	C	.	.	H	α-helix	trans	-69.7	-42.9	-174.8	-165.3	172.1	-177.5	-177	-2.4	111.5	R203 F204	R201-R203 PolarHBondContact O-N 3.26Å; R201-F204 WeakPolarHBondContact O-CB 3.44Å; R201-F204 PolarHBondContact O-N 3.33Å
202	D	74.8	Confident	84.7	Confident	133 Å²	133	34.2 Å²	34.2	71%	0.711	18%	0.184	S	C	*	.	H	α-helix	trans	-62.2	-30.6	178	-67.3	-10.4	0	0	0	112.8
203	R	79.6	Confident	84.2	Confident	55 Å²	55	37 Å²	37	21%	0.208	20%	0.196	C	C	.	.	H	α-helix	trans	-95	-13.9	-179	-64.1	173.9	-176.7	167.3	14	113.3	D199 L200 R201 D205 G206 D207	D199-R203 WeakPolarHBondContact O-CB 3.43Å; D199-R203 VanDerWaalsContact O-CD 3.26Å; D199-R203 WeakPolarHBondContact O-CD 3.34Å; D199-R203 WeakPolarHBondContact O-CG 3.44Å; D199-R203 PolarHBondContact O-N 2.96Å; D199-R203 IonicContact OD2-CZ 3.45Å; D199-R203 IonicContact OD2-NH1 3.33Å; D199-R203 PolarHBondContact OD2-NH1 2.86Å; D199-R203 IonicContact OD2-NH2 2.68Å; D199-R203 PolarHBondContact OD2-NH2 3.41Å; L200-R203 PolarHBondContact O-N 2.89Å; R201-R203 PolarHBondContact O-N 3.26Å; R203-D205 PolarHBondContact O-N 3.21Å; R203-G206 PolarHBondContact O-N 3.41Å; R203-D207 WeakPolarHBondContact O-CB 3.02Å; R203-D207 PolarHBondContact O-N 2.91Å
204	F	82.4	Confident	83.5	Confident	16 Å²	16	38 Å²	38	7%	0.07	20%	0.201	C	C	.	.	H	α-helix	trans	-53.7	-56.3	-170.4	-178.8	-99.8	0	0	0	112.5	L110 L200 R201 G206 D207 M208 R235 L238 A239 L242	L110-F204 HydrophobicContact CD1-CD2 3.72Å; L110-F204 HydrophobicContact CD1-CE2 3.87Å; L110-F204 HydrophobicContact CD2-CD2 4.05Å; L200-F204 WeakPolarHBondContact O-CB 3.25Å; L200-F204 PolarHBondContact O-N 3.11Å; R201-F204 WeakPolarHBondContact O-CB 3.44Å; R201-F204 PolarHBondContact O-N 3.33Å; F204-G206 VanDerWaalsContact C-N 3.34Å; F204-G206 PolarHBondContact O-N 3.3Å; F204-D207 PolarHBondContact O-N 2.62Å; F204-M208 HydrophobicContact CD1-CG 4.38Å; F204-M208 HydrophobicContact CD2-CG 4.35Å; F204-M208 HydrophobicContact CE1-CG 4.08Å; F204-M208 HydrophobicContact CE2-CE 3.93Å; F204-M208 HydrophobicContact CE2-CG 4.05Å; F204-M208 HydrophobicContact CZ-CE 4.35Å; F204-M208 HydrophobicContact CZ-CG 3.92Å; F204-M208 VanDerWaalsContact O-CB 3.27Å; F204-M208 WeakPolarHBondContact O-CB 3.45Å; F204-M208 VanDerWaalsContact O-CG 3.25Å; F204-M208 WeakPolarHBondContact O-CG 3.46Å; F204-M208 PolarHBondContact O-N 2.96Å; F204-R235 HydrophobicContact CE1-CG 4.47Å; F204-R235 HydrophobicContact CZ-CG 4.21Å; F204-L238 HydrophobicContact CE2-CB 3.75Å; F204-L238 HydrophobicContact CZ-CB 4.24Å; F204-A239 HydrophobicContact CE1-CB 4.28Å; F204-A239 HydrophobicContact CZ-CB 4.04Å; F204-L242 HydrophobicContact CB-CD1 4.23Å; F204-L242 HydrophobicContact CD2-CD1 3.28Å; F204-L242 HydrophobicContact CE2-CD1 3.72Å; F204-L242 HydrophobicContact CG-CD1 3.84Å
205	D	81.9	Confident	82.8	Confident	101 Å²	101	38.3 Å²	38.3	54%	0.54	21%	0.205	S	C	.	.	H	α-helix	trans	-65.3	-38.1	-176.5	-70.8	-44.5	0	0	0	112.3	R203 A209 R235	R203-D205 PolarHBondContact O-N 3.21Å; D205-A209 VanDerWaalsContact O-CB 3.28Å; D205-A209 WeakPolarHBondContact O-CB 3.49Å; D205-A209 PolarHBondContact O-N 2.9Å; D205-R235 IonicContact OD1-NH2 3.4Å
206	G	82.6	Confident	82.2	Confident	36 Å²	36	44.8 Å²	44.8	37%	0.371	23%	0.232	S	C	.	.	H	α-helix	trans	-69.8	-43.5	179.1	0	0	0	0	0	113.2	R203 F204 T210	R203-G206 PolarHBondContact O-N 3.41Å; F204-G206 VanDerWaalsContact C-N 3.34Å; F204-G206 PolarHBondContact O-N 3.3Å; G206-T210 PolarHBondContact O-N 3.44Å; G206-T210 VanDerWaalsContact O-N 3.07Å; G206-T210 PolarHBondContact O-OG1 3.43Å
207	D	85.3	Confident	81.7	Confident	6 Å²	6	48.6 Å²	48.6	3%	0.032	25%	0.253	C	S	.	.	H	α-helix	trans	-70.5	-35.9	177.1	-73.6	-13.9	0	0	0	110.5	R56 L110 Y111 R203 F204 T210 L211	R56-D207 IonicContact CZ-OD1 2.72Å; R56-D207 IonicContact NE-OD1 3.68Å; R56-D207 PolarHBondContact NE-OD1 2.81Å; R56-D207 IonicContact NE-OD2 3.79Å; R56-D207 IonicContact NH2-OD1 2.69Å; L110-D207 HydrophobicContact CD2-CB 3.54Å; Y111-D207 HydrophobicContact CE2-CB 3.94Å; R203-D207 WeakPolarHBondContact O-CB 3.02Å; R203-D207 PolarHBondContact O-N 2.91Å; F204-D207 PolarHBondContact O-N 2.62Å; D207-T210 WeakPolarHBondContact O-CB 3.31Å; D207-T210 PolarHBondContact O-N 3.48Å; D207-L211 WeakPolarHBondContact O-CG 3.39Å; D207-L211 PolarHBondContact O-N 3.1Å
208	M	84.7	Confident	81.4	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-47.1	172.7	-77.7	-66.3	153.4	0	0	112.5	L110 M114 F204 T210 L211 E212 L231 R235 L238	L110-M208 HydrophobicContact CD1-CE 3.68Å; L110-M208 HydrophobicContact CD2-CE 3.59Å; L110-M208 HydrophobicContact CD2-CG 4.12Å; L110-M208 HydrophobicContact CG-CE 3.77Å; M114-M208 HydrophobicContact CG-CE 4.2Å; M114-M208 HydrophobicContact SD-CE 3.77Å; F204-M208 HydrophobicContact CD1-CG 4.38Å; F204-M208 HydrophobicContact CD2-CG 4.35Å; F204-M208 HydrophobicContact CE1-CG 4.08Å; F204-M208 HydrophobicContact CE2-CE 3.93Å; F204-M208 HydrophobicContact CE2-CG 4.05Å; F204-M208 HydrophobicContact CZ-CE 4.35Å; F204-M208 HydrophobicContact CZ-CG 3.92Å; F204-M208 VanDerWaalsContact O-CB 3.27Å; F204-M208 WeakPolarHBondContact O-CB 3.45Å; F204-M208 VanDerWaalsContact O-CG 3.25Å; F204-M208 WeakPolarHBondContact O-CG 3.46Å; F204-M208 PolarHBondContact O-N 2.96Å; M208-T210 PolarHBondContact O-N 3.26Å; M208-L211 PolarHBondContact O-N 2.7Å; M208-L211 VanDerWaalsContact O-N 3.11Å; M208-E212 WeakPolarHBondContact O-CG 3.3Å; M208-E212 PolarHBondContact O-N 3.12Å; M208-L231 HydrophobicContact SD-CD1 4.28Å; M208-R235 HydrophobicContact CG-CG 4.23Å; M208-R235 HydrophobicContact SD-CB 3.91Å; M208-R235 HydrophobicContact SD-CG 4.01Å; M208-L238 HydrophobicContact CE-CD1 3.51Å
209	A	84.4	Confident	81.3	Confident	52 Å²	52	53.5 Å²	53.5	43%	0.43	28%	0.278	S	S	.	.	H	α-helix	trans	-59.2	-35.6	175.7	0	0	0	0	0	112	D205 L213	D205-A209 VanDerWaalsContact O-CB 3.28Å; D205-A209 WeakPolarHBondContact O-CB 3.49Å; D205-A209 PolarHBondContact O-N 2.9Å; A209-L213 WeakPolarHBondContact O-CB 3.41Å; A209-L213 PolarHBondContact O-N 3.13Å
210	T	84.9	Confident	81.6	Confident	11 Å²	11	60.7 Å²	60.7	7%	0.067	31%	0.308	C	S	.	.	H	α-helix	trans	-62.5	-50.5	173.5	-60.2	0	0	0	0	111.3	F57 A60 G206 D207 M208 E212 L213 L214	F57-T210 HydrophobicContact CB-CG2 4.5Å; F57-T210 HydrophobicContact CD2-CG2 3.36Å; F57-T210 WeakPolarHBondContact CD2-OG1 2.88Å; F57-T210 HydrophobicContact CE2-CG2 3.88Å; F57-T210 HydrophobicContact CG-CG2 4.29Å; A60-T210 HydrophobicContact CB-CG2 4.29Å; G206-T210 PolarHBondContact O-N 3.44Å; G206-T210 VanDerWaalsContact O-N 3.07Å; G206-T210 PolarHBondContact O-OG1 3.43Å; D207-T210 WeakPolarHBondContact O-CB 3.31Å; D207-T210 PolarHBondContact O-N 3.48Å; M208-T210 PolarHBondContact O-N 3.26Å; T210-E212 PolarHBondContact O-N 3.09Å; T210-L213 PolarHBondContact O-N 2.81Å; T210-L214 HydrophobicContact CG2-CD1 4.08Å; T210-L214 VanDerWaalsContact O-CG 3.27Å; T210-L214 WeakPolarHBondContact O-CG 3.38Å; T210-L214 PolarHBondContact O-N 3.25Å
211	L	84	Confident	81.6	Confident	29 Å²	29	64.7 Å²	64.7	15%	0.152	33%	0.327	C	S	.	.	H	α-helix	trans	-63.1	-41.2	179.7	-70.5	171.8	0	0	0	111.9	Y111 M114 D207 M208 L214 L215 L231	Y111-L211 HydrophobicContact CD1-CD2 4.23Å; Y111-L211 HydrophobicContact CE1-CD2 3.68Å; Y111-L211 HydrophobicContact CE1-CG 4.25Å; M114-L211 HydrophobicContact CE-CD1 4.29Å; M114-L211 HydrophobicContact CG-CD1 3.9Å; M114-L211 HydrophobicContact SD-CD1 4.49Å; D207-L211 WeakPolarHBondContact O-CG 3.39Å; D207-L211 PolarHBondContact O-N 3.1Å; M208-L211 PolarHBondContact O-N 2.7Å; M208-L211 VanDerWaalsContact O-N 3.11Å; L211-L214 PolarHBondContact O-N 2.67Å; L211-L215 PolarHBondContact O-N 3.05Å; L211-L231 HydrophobicContact CB-CD1 4.04Å; L211-L231 HydrophobicContact CB-CD2 3.84Å; L211-L231 HydrophobicContact CD1-CD1 4.29Å
212	E	84.1	Confident	81.7	Confident	44 Å²	44	60.1 Å²	60.1	21%	0.206	31%	0.311	C	S	.	.	H	α-helix	trans	-62.6	-43.6	176.4	-74.3	176.1	-170.4	0	0	111.9	M208 T210 L214 L215 K216 L231 R235	M208-E212 WeakPolarHBondContact O-CG 3.3Å; M208-E212 PolarHBondContact O-N 3.12Å; T210-E212 PolarHBondContact O-N 3.09Å; E212-L214 VanDerWaalsContact C-N 3.34Å; E212-L215 PolarHBondContact O-N 3.35Å; E212-K216 WeakPolarHBondContact O-CG 3.29Å; E212-K216 PolarHBondContact O-N 2.86Å; E212-L231 HydrophobicContact CB-CD2 4.21Å; E212-L231 HydrophobicContact CG-CD2 3.64Å; E212-L231 HydrophobicContact CG-CG 4.45Å; E212-R235 WeakPolarHBondContact OE1-CD 3.48Å; E212-R235 IonicContact OE1-CZ 3.49Å; E212-R235 IonicContact OE1-NE 3.04Å; E212-R235 IonicContact OE1-NH1 2.93Å; E212-R235 PolarHBondContact OE1-NH1 3.29Å; E212-R235 IonicContact OE2-NH1 2.71Å
213	L	84.9	Confident	81.4	Confident	82 Å²	82	58.7 Å²	58.7	43%	0.429	31%	0.309	S	S	.	.	H	α-helix	trans	-61.9	-43.8	175.4	179	63.4	0	0	0	111.2	F57 A209 T210 L215 K216 L217	F57-L213 HydrophobicContact CE2-CD2 4.1Å; F57-L213 HydrophobicContact CZ-CD2 4.11Å; A209-L213 WeakPolarHBondContact O-CB 3.41Å; A209-L213 PolarHBondContact O-N 3.13Å; T210-L213 PolarHBondContact O-N 2.81Å; L213-L215 PolarHBondContact O-N 3.34Å; L213-K216 PolarHBondContact O-N 3.15Å; L213-L217 HydrophobicContact CG-CD1 4.27Å; L213-L217 VanDerWaalsContact O-CG 3.31Å; L213-L217 WeakPolarHBondContact O-CG 3.48Å; L213-L217 PolarHBondContact O-N 3.37Å
214	L	83.4	Confident	80.8	Confident	20 Å²	20	63.4 Å²	63.4	11%	0.105	34%	0.338	C	S	.	.	H	α-helix	trans	-61.9	-43.6	178.2	-71	173.5	0	0	0	111.9	A60 V61 T210 L211 E212 L217 V218	A60-L214 HydrophobicContact CB-CD1 3.57Å; V61-L214 HydrophobicContact CB-CD2 4.12Å; V61-L214 HydrophobicContact CG2-CD2 3.68Å; T210-L214 HydrophobicContact CG2-CD1 4.08Å; T210-L214 VanDerWaalsContact O-CG 3.27Å; T210-L214 WeakPolarHBondContact O-CG 3.38Å; T210-L214 PolarHBondContact O-N 3.25Å; L211-L214 PolarHBondContact O-N 2.67Å; E212-L214 VanDerWaalsContact C-N 3.34Å; L214-L217 WeakPolarHBondContact O-CB 3.44Å; L214-L217 PolarHBondContact O-N 3.04Å; L214-V218 VanDerWaalsContact O-CG2 3.32Å; L214-V218 WeakPolarHBondContact O-CG2 3.33Å; L214-V218 PolarHBondContact O-N 2.97Å
215	L	80.4	Confident	79.9	Confident	49 Å²	49	65 Å²	65	26%	0.257	35%	0.345	S	S	.	.	H	α-helix	trans	-65.3	-42	177.3	-72	-170.7	0	0	0	112.1	L211 E212 L213 L217 V218 E219 L231	L211-L215 PolarHBondContact O-N 3.05Å; E212-L215 PolarHBondContact O-N 3.35Å; L213-L215 PolarHBondContact O-N 3.34Å; L215-L217 VanDerWaalsContact C-N 3.25Å; L215-L217 PolarHBondContact O-N 3.47Å; L215-V218 PolarHBondContact O-N 3.17Å; L215-V218 VanDerWaalsContact O-N 3.1Å; L215-E219 WeakPolarHBondContact O-CB 3.49Å; L215-E219 PolarHBondContact O-N 3.02Å; L215-L231 HydrophobicContact CD1-CB 3.38Å; L215-L231 HydrophobicContact CD1-CD2 3.44Å; L215-L231 VanDerWaalsContact CD1-CD2 3.44Å; L215-L231 HydrophobicContact CD1-CG 3.99Å; L215-L231 HydrophobicContact CG-CD2 4.08Å
216	K	81.7	Confident	78.9	Confident	136 Å²	136	62.1 Å²	62.1	59%	0.591	34%	0.34	S	S	*	.	H	α-helix	trans	-58.9	-38	173.7	-74.1	173.8	179.3	171.8	0	112.2	E212 L213 K220	E212-K216 WeakPolarHBondContact O-CG 3.29Å; E212-K216 PolarHBondContact O-N 2.86Å; L213-K216 PolarHBondContact O-N 3.15Å; K216-K220 WeakPolarHBondContact O-CB 3.12Å; K216-K220 PolarHBondContact O-N 3.47Å; K216-K220 VanDerWaalsContact O-N 3.08Å
217	L	82.5	Confident	78.1	Confident	83 Å²	83	63.5 Å²	63.5	44%	0.435	34%	0.336	S	S	.	.	H	α-helix	trans	-69.2	-39.2	175.1	-70.1	172	0	0	0	112.1	L213 L214 L215 M221	L213-L217 HydrophobicContact CG-CD1 4.27Å; L213-L217 VanDerWaalsContact O-CG 3.31Å; L213-L217 WeakPolarHBondContact O-CG 3.48Å; L213-L217 PolarHBondContact O-N 3.37Å; L214-L217 WeakPolarHBondContact O-CB 3.44Å; L214-L217 PolarHBondContact O-N 3.04Å; L215-L217 VanDerWaalsContact C-N 3.25Å; L215-L217 PolarHBondContact O-N 3.47Å; L217-M221 WeakPolarHBondContact O-CG 3.32Å; L217-M221 PolarHBondContact O-N 2.92Å; L217-M221 VanDerWaalsContact O-N 3.12Å
218	V	79	Confident	77.3	Confident	35 Å²	35	65.2 Å²	65.2	21%	0.212	35%	0.351	C	S	.	.	H	α-helix	trans	-66.8	-47.5	176.7	169.9	0	0	0	0	110.7	L214 L215 K220 M221 H222	L214-V218 VanDerWaalsContact O-CG2 3.32Å; L214-V218 WeakPolarHBondContact O-CG2 3.33Å; L214-V218 PolarHBondContact O-N 2.97Å; L215-V218 PolarHBondContact O-N 3.17Å; L215-V218 VanDerWaalsContact O-N 3.1Å; V218-K220 VanDerWaalsContact C-N 3.29Å; V218-K220 PolarHBondContact O-N 3.04Å; V218-M221 CarbonylContact O-C 3.51Å; V218-M221 WeakPolarHBondContact O-CA 3.47Å; V218-M221 PolarHBondContact O-N 2.86Å; V218-H222 WeakPolarHBondContact O-CB 3.47Å; V218-H222 PolarHBondContact O-N 3.25Å
219	E	80.3	Confident	76.6	Confident	88 Å²	88	69.7 Å²	69.7	41%	0.411	37%	0.368	S	S	.	.	H	α-helix	trans	-58.2	-41.3	176.7	-174.1	-179.8	-177.9	0	0	111.2	L215 M221 H222 P223	L215-E219 WeakPolarHBondContact O-CB 3.49Å; L215-E219 PolarHBondContact O-N 3.02Å; E219-M221 VanDerWaalsContact C-N 3.31Å; E219-M221 PolarHBondContact O-N 2.99Å; E219-H222 CarbonylContact O-C 3.6Å; E219-H222 PolarHBondContact O-N 3.36Å; E219-P223 WeakPolarHBondContact O-CA 3.45Å
220	K	81.7	Confident	75.9	Confident	177 Å²	177	67.4 Å²	67.4	77%	0.77	35%	0.348	S	S	*	.	H	α-helix	trans	-63.2	-35.4	173.5	-175.7	175.8	-179.8	177.6	0	113.1	K216 V218	K216-K220 WeakPolarHBondContact O-CB 3.12Å; K216-K220 PolarHBondContact O-N 3.47Å; K216-K220 VanDerWaalsContact O-N 3.08Å; V218-K220 VanDerWaalsContact C-N 3.29Å; V218-K220 PolarHBondContact O-N 3.04Å
221	M	78.5	Confident	75.4	Confident	91 Å²	91	67.3 Å²	67.3	45%	0.448	35%	0.347	S	S	.	.	H	α-helix	trans	-82.3	-28.3	178.2	-72.7	-165.6	-74.9	0	0	113	S68 L217 V218 E219	S68-M221 WeakPolarHBondContact OG-CE 3.46Å; S68-M221 PolarHBondContact OG-SD 3.3Å; L217-M221 WeakPolarHBondContact O-CG 3.32Å; L217-M221 PolarHBondContact O-N 2.92Å; L217-M221 VanDerWaalsContact O-N 3.12Å; V218-M221 CarbonylContact O-C 3.51Å; V218-M221 WeakPolarHBondContact O-CA 3.47Å; V218-M221 PolarHBondContact O-N 2.86Å; E219-M221 VanDerWaalsContact C-N 3.31Å; E219-M221 PolarHBondContact O-N 2.99Å
222	H	74.3	Confident	75	Confident	19 Å²	19	69.4 Å²	69.4	9%	0.088	36%	0.356	C	S	.	.			trans	-136.4	81	-174.8	-61.9	-76.8	0	0	0	109.5	S68 V218 E219 N224 F225	S68-H222 PolarHBondContact O-CE1 3.31Å; S68-H222 PolarHBondContact O-NE2 2.8Å; S68-H222 PolarHBondContact OG-CD2 3.46Å; S68-H222 VanDerWaalsContact OG-CD2 3.27Å; S68-H222 PolarHBondContact OG-NE2 3.39Å; V218-H222 WeakPolarHBondContact O-CB 3.47Å; V218-H222 PolarHBondContact O-N 3.25Å; E219-H222 CarbonylContact O-C 3.6Å; E219-H222 PolarHBondContact O-N 3.36Å; H222-N224 PolarHBondContact O-N 2.73Å; H222-N224 VanDerWaalsContact O-N 3.07Å; H222-F225 HydrophobicContact CB-CB 4.1Å; H222-F225 HydrophobicContact CB-CD2 3.67Å; H222-F225 HydrophobicContact CB-CE2 4.47Å; H222-F225 HydrophobicContact CB-CG 4.17Å; H222-F225 WeakPolarHBondContact O-CB 3.29Å; H222-F225 PolarHBondContact O-N 3.41Å
223	P	69.9	Low	74.4	Confident	103 Å²	103	68.6 Å²	68.6	67%	0.669	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.7	-174.5	-27.1	36	0	0	0	114.6	E219 F225	E219-P223 WeakPolarHBondContact O-CA 3.45Å; P223-F225 VanDerWaalsContact C-N 3.25Å; P223-F225 PolarHBondContact O-N 3.44Å
224	N	65.8	Low	74	Confident	154 Å²	154	65.2 Å²	65.2	82%	0.824	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-4	178.6	-61.1	-11.5	0	0	0	113.1	H222	H222-N224 PolarHBondContact O-N 2.73Å; H222-N224 VanDerWaalsContact O-N 3.07Å
225	F	64.3	Low	73.9	Confident	49 Å²	49	67.5 Å²	67.5	22%	0.215	34%	0.343	C	S	.	.			trans	-98.4	83.1	178.4	-83.2	-101.6	0	0	0	110.7	Y71 M75 H222 P223 F227	Y71-F225 AromaticContact CD1-CZ 3.98Å; Y71-F225 HydrophobicContact CD1-CZ 3.98Å; Y71-F225 HydrophobicContact CE1-CE1 4.46Å; Y71-F225 AromaticContact CE1-CZ 3.9Å; Y71-F225 HydrophobicContact CE1-CZ 3.9Å; Y71-F225 HydrophobicContact CG-CZ 4.49Å; M75-F225 HydrophobicContact CE-CE2 3.93Å; M75-F225 HydrophobicContact CE-CZ 4.16Å; H222-F225 HydrophobicContact CB-CB 4.1Å; H222-F225 HydrophobicContact CB-CD2 3.67Å; H222-F225 HydrophobicContact CB-CE2 4.47Å; H222-F225 HydrophobicContact CB-CG 4.17Å; H222-F225 WeakPolarHBondContact O-CB 3.29Å; H222-F225 PolarHBondContact O-N 3.41Å; P223-F225 VanDerWaalsContact C-N 3.25Å; P223-F225 PolarHBondContact O-N 3.44Å; F225-F227 AromaticContact CD1-CD2 3.94Å; F225-F227 HydrophobicContact CD1-CD2 3.94Å; F225-F227 AromaticContact CD1-CE2 3.64Å; F225-F227 HydrophobicContact CD1-CE2 3.64Å; F225-F227 HydrophobicContact CE1-CE2 4.17Å; F225-F227 PolarHBondContact O-N 2.81Å
226	G	60.1	Low	74	Confident	41 Å²	41	68.9 Å²	68.9	42%	0.423	35%	0.348	S	S	.	.			trans	-87.2	58.8	179.2	0	0	0	0	0	114.5	W229	G226-W229 PolarHBondContact O-NE1 2.9Å
227	F	66.3	Low	73.9	Confident	65 Å²	65	63.5 Å²	63.5	29%	0.285	33%	0.326	S	S	.	.			trans	-91.3	0.5	178.1	-72.8	-68.5	0	0	0	114.5	V124 L125 F225 W229 V230 L231	V124-F227 HydrophobicContact CG1-CE1 4.18Å; L125-F227 HydrophobicContact CD2-CD1 4.3Å; L125-F227 HydrophobicContact CD2-CE1 3.47Å; L125-F227 VanDerWaalsContact CD2-CE1 3.47Å; L125-F227 HydrophobicContact CD2-CZ 3.71Å; F225-F227 AromaticContact CD1-CD2 3.94Å; F225-F227 HydrophobicContact CD1-CD2 3.94Å; F225-F227 AromaticContact CD1-CE2 3.64Å; F225-F227 HydrophobicContact CD1-CE2 3.64Å; F225-F227 HydrophobicContact CE1-CE2 4.17Å; F225-F227 PolarHBondContact O-N 2.81Å; F227-W229 VanDerWaalsContact C-N 3.27Å; F227-W229 PolarHBondContact O-N 2.88Å; F227-V230 HydrophobicContact CD1-CG2 4.04Å; F227-V230 WeakPolarHBondContact O-CB 3.46Å; F227-V230 PolarHBondContact O-N 3.48Å; F227-V230 VanDerWaalsContact O-N 3.08Å; F227-L231 PolarHBondContact O-N 3.25Å
228	A	68.7	Low	73.9	Confident	42 Å²	42	59.8 Å²	59.8	35%	0.347	31%	0.307	S	S	.	.	H	α-helix	trans	-59.5	-37.1	-176.1	0	0	0	0	0	112.8	V230 L231 Q232	A228-V230 VanDerWaalsContact C-N 3.29Å; A228-V230 PolarHBondContact O-N 2.86Å; A228-L231 PolarHBondContact O-N 3.12Å; A228-Q232 PolarHBondContact O-N 2.84Å
229	W	70.4	Confident	74.3	Confident	94 Å²	94	60.3 Å²	60.3	36%	0.356	32%	0.315	S	S	.	.	H	α-helix	trans	-65.3	-33.1	177.8	67.8	-95.4	0	0	0	112.5	G226 F227 Q232 D233 L508	G226-W229 PolarHBondContact O-NE1 2.9Å; F227-W229 VanDerWaalsContact C-N 3.27Å; F227-W229 PolarHBondContact O-N 2.88Å; W229-Q232 PolarHBondContact O-N 3.36Å; W229-D233 PolarHBondContact O-N 3.12Å; W229-L508 HydrophobicContact CZ3-CD1 4.26Å
230	V	69.1	Low	74.6	Confident	4 Å²	4	59.7 Å²	59.7	2%	0.024	31%	0.311	C	S	.	.	H	α-helix	trans	-63.5	-45	177.5	179.5	0	0	0	0	110.3	L118 M121 F227 A228 Q232 D233 M234	L118-V230 HydrophobicContact CD2-CG1 4.3Å; M121-V230 HydrophobicContact CE-CG1 3.49Å; M121-V230 VanDerWaalsContact CE-CG1 3.49Å; M121-V230 HydrophobicContact SD-CG1 3.33Å; M121-V230 WeakPolarHBondContact SD-CG1 3.09Å; F227-V230 HydrophobicContact CD1-CG2 4.04Å; F227-V230 WeakPolarHBondContact O-CB 3.46Å; F227-V230 PolarHBondContact O-N 3.48Å; F227-V230 VanDerWaalsContact O-N 3.08Å; A228-V230 VanDerWaalsContact C-N 3.29Å; A228-V230 PolarHBondContact O-N 2.86Å; V230-Q232 VanDerWaalsContact C-N 3.32Å; V230-Q232 PolarHBondContact O-N 3.28Å; V230-D233 PolarHBondContact O-N 3.02Å; V230-M234 HydrophobicContact CG1-CG 4.39Å; V230-M234 HydrophobicContact CG1-SD 3.91Å; V230-M234 WeakPolarHBondContact O-CB 3.26Å; V230-M234 VanDerWaalsContact O-CG 3.22Å; V230-M234 WeakPolarHBondContact O-CG 3.48Å; V230-M234 PolarHBondContact O-N 3.38Å
231	L	73.6	Confident	74.8	Confident	8 Å²	8	52.1 Å²	52.1	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-39.8	176.8	177.8	65	0	0	0	111.9	M114 M208 L211 E212 L215 F227 A228 D233 M234 R235	M114-L231 HydrophobicContact CE-CD1 3.21Å; M114-L231 HydrophobicContact SD-CD1 4.17Å; M208-L231 HydrophobicContact SD-CD1 4.28Å; L211-L231 HydrophobicContact CB-CD1 4.04Å; L211-L231 HydrophobicContact CB-CD2 3.84Å; L211-L231 HydrophobicContact CD1-CD1 4.29Å; E212-L231 HydrophobicContact CB-CD2 4.21Å; E212-L231 HydrophobicContact CG-CD2 3.64Å; E212-L231 HydrophobicContact CG-CG 4.45Å; L215-L231 HydrophobicContact CD1-CB 3.38Å; L215-L231 HydrophobicContact CD1-CD2 3.44Å; L215-L231 VanDerWaalsContact CD1-CD2 3.44Å; L215-L231 HydrophobicContact CD1-CG 3.99Å; L215-L231 HydrophobicContact CG-CD2 4.08Å; F227-L231 PolarHBondContact O-N 3.25Å; A228-L231 PolarHBondContact O-N 3.12Å; L231-D233 VanDerWaalsContact C-N 3.33Å; L231-D233 PolarHBondContact O-N 3.23Å; L231-M234 PolarHBondContact O-N 3.48Å; L231-R235 WeakPolarHBondContact O-CB 3.32Å; L231-R235 PolarHBondContact O-N 2.86Å
232	Q	75.1	Confident	75.2	Confident	73 Å²	73	48.3 Å²	48.3	34%	0.341	26%	0.26	S	S	.	.	H	α-helix	trans	-61.6	-43.4	177.8	-176	59.3	34.5	0	0	111.4	A228 W229 V230 R235 E236	A228-Q232 PolarHBondContact O-N 2.84Å; W229-Q232 PolarHBondContact O-N 3.36Å; V230-Q232 VanDerWaalsContact C-N 3.32Å; V230-Q232 PolarHBondContact O-N 3.28Å; Q232-R235 PolarHBondContact O-N 2.87Å; Q232-E236 PolarHBondContact NE2-OE1 2.62Å; Q232-E236 VanDerWaalsContact NE2-OE1 3.1Å; Q232-E236 PolarHBondContact O-N 3.46Å
233	D	72.4	Confident	76.1	Confident	27 Å²	27	49.1 Å²	49.1	14%	0.144	27%	0.265	C	S	.	.	H	α-helix	trans	-65.6	-41.4	176.3	-167.6	64.1	0	0	0	112.1	W229 V230 L231 R235 E236 T237	W229-D233 PolarHBondContact O-N 3.12Å; V230-D233 PolarHBondContact O-N 3.02Å; L231-D233 VanDerWaalsContact C-N 3.33Å; L231-D233 PolarHBondContact O-N 3.23Å; D233-R235 PolarHBondContact O-N 2.77Å; D233-E236 PolarHBondContact O-N 3.07Å; D233-T237 WeakPolarHBondContact O-CB 3.4Å; D233-T237 PolarHBondContact O-N 3.27Å; D233-T237 PolarHBondContact O-OG1 3.41Å
234	M	76.8	Confident	77.3	Confident	11 Å²	11	44.4 Å²	44.4	5%	0.054	23%	0.233	C	C	.	.	H	α-helix	trans	-65	-38.4	175	-70.2	176.4	79.4	0	0	112.4	M114 L118 M121 V230 L231 T237 L238	M114-M234 HydrophobicContact CB-CE 4.18Å; M114-M234 HydrophobicContact CE-CB 4.03Å; M114-M234 HydrophobicContact CE-CE 3.41Å; M114-M234 VanDerWaalsContact CE-CE 3.41Å; M114-M234 HydrophobicContact CE-CG 4.43Å; M114-M234 HydrophobicContact CE-SD 3.48Å; M114-M234 WeakPolarHBondContact CE-SD 3.35Å; M114-M234 HydrophobicContact CG-CE 4.45Å; M114-M234 WeakPolarHBondContact O-CE 3.45Å; M114-M234 HydrophobicContact SD-CB 3.85Å; M114-M234 HydrophobicContact SD-CE 3.47Å; M114-M234 WeakPolarHBondContact SD-CE 3.44Å; M114-M234 HydrophobicContact SD-SD 4.15Å; L118-M234 HydrophobicContact CD2-SD 4Å; L118-M234 HydrophobicContact CG-CE 4.2Å; L118-M234 HydrophobicContact CG-SD 4.3Å; M121-M234 HydrophobicContact CE-CG 3.78Å; M121-M234 HydrophobicContact CE-SD 3.86Å; V230-M234 HydrophobicContact CG1-CG 4.39Å; V230-M234 HydrophobicContact CG1-SD 3.91Å; V230-M234 WeakPolarHBondContact O-CB 3.26Å; V230-M234 VanDerWaalsContact O-CG 3.22Å; V230-M234 WeakPolarHBondContact O-CG 3.48Å; V230-M234 PolarHBondContact O-N 3.38Å; L231-M234 PolarHBondContact O-N 3.48Å; M234-T237 PolarHBondContact O-N 3.44Å; M234-L238 VanDerWaalsContact O-CB 3.29Å; M234-L238 WeakPolarHBondContact O-CB 3.37Å; M234-L238 WeakPolarHBondContact O-CD1 3.5Å; M234-L238 WeakPolarHBondContact O-CG 3.33Å; M234-L238 PolarHBondContact O-N 2.87Å
235	R	82.1	Confident	78.7	Confident	69 Å²	69	40.7 Å²	40.7	26%	0.26	21%	0.211	S	C	.	.	H	α-helix	trans	-60	-49.3	176	177.3	-177.9	175.3	148.2	7.9	110.7	F204 D205 M208 E212 L231 Q232 D233 T237 L238 A239	F204-R235 HydrophobicContact CE1-CG 4.47Å; F204-R235 HydrophobicContact CZ-CG 4.21Å; D205-R235 IonicContact OD1-NH2 3.4Å; M208-R235 HydrophobicContact CG-CG 4.23Å; M208-R235 HydrophobicContact SD-CB 3.91Å; M208-R235 HydrophobicContact SD-CG 4.01Å; E212-R235 WeakPolarHBondContact OE1-CD 3.48Å; E212-R235 IonicContact OE1-CZ 3.49Å; E212-R235 IonicContact OE1-NE 3.04Å; E212-R235 IonicContact OE1-NH1 2.93Å; E212-R235 PolarHBondContact OE1-NH1 3.29Å; E212-R235 IonicContact OE2-NH1 2.71Å; L231-R235 WeakPolarHBondContact O-CB 3.32Å; L231-R235 PolarHBondContact O-N 2.86Å; Q232-R235 PolarHBondContact O-N 2.87Å; D233-R235 PolarHBondContact O-N 2.77Å; R235-T237 VanDerWaalsContact C-N 3.34Å; R235-L238 PolarHBondContact O-N 2.96Å; R235-A239 WeakPolarHBondContact O-CB 3.49Å; R235-A239 PolarHBondContact O-N 2.98Å
236	E	81	Confident	80.2	Confident	78 Å²	78	40.5 Å²	40.5	36%	0.364	21%	0.212	S	C	.	.	H	α-helix	trans	-62.4	-43.1	178.5	-71.7	170.1	-150.4	0	0	111.4	Q232 D233 A239 K240 R505	Q232-E236 PolarHBondContact NE2-OE1 2.62Å; Q232-E236 VanDerWaalsContact NE2-OE1 3.1Å; Q232-E236 PolarHBondContact O-N 3.46Å; D233-E236 PolarHBondContact O-N 3.07Å; E236-A239 PolarHBondContact O-N 3.41Å; E236-K240 WeakPolarHBondContact O-CG 3.45Å; E236-K240 PolarHBondContact O-N 2.79Å; E236-R505 IonicContact OE1-CZ 2.71Å; E236-R505 IonicContact OE1-NH1 2.84Å; E236-R505 PolarHBondContact OE1-NH1 3.46Å; E236-R505 IonicContact OE2-NH1 3.26Å; E236-R505 PolarHBondContact OE2-NH1 2.91Å
237	T	80.8	Confident	81.9	Confident	23 Å²	23	39 Å²	39	14%	0.141	20%	0.195	C	C	.	.	H	α-helix	trans	-60.6	-47.8	175.8	-69.3	0	0	0	0	112.1	D233 M234 R235 K240 E241 L415	D233-T237 WeakPolarHBondContact O-CB 3.4Å; D233-T237 PolarHBondContact O-N 3.27Å; D233-T237 PolarHBondContact O-OG1 3.41Å; M234-T237 PolarHBondContact O-N 3.44Å; R235-T237 VanDerWaalsContact C-N 3.34Å; T237-K240 WeakPolarHBondContact O-CB 3.45Å; T237-K240 PolarHBondContact O-N 3.06Å; T237-E241 PolarHBondContact O-N 3.4Å; T237-L415 HydrophobicContact CG2-CD1 3.68Å; T237-L415 HydrophobicContact CG2-CD2 3.43Å; T237-L415 VanDerWaalsContact CG2-CD2 3.43Å; T237-L415 HydrophobicContact CG2-CG 4.14Å
238	L	82.7	Confident	83.3	Confident	4 Å²	4	36 Å²	36	2%	0.021	18%	0.181	C	C	.	.	H	α-helix	trans	-68.2	-37.2	-179.3	-72	164.2	0	0	0	112.3	L110 K113 M114 L177 F204 M208 M234 R235 K240 E241 L242	L110-L238 HydrophobicContact CD1-CD1 3.95Å; K113-L238 HydrophobicContact CB-CD2 4.09Å; K113-L238 HydrophobicContact CD-CD2 4.24Å; K113-L238 HydrophobicContact CG-CD2 3.18Å; M114-L238 HydrophobicContact CG-CD1 4.04Å; M114-L238 HydrophobicContact SD-CD1 3.34Å; M114-L238 WeakPolarHBondContact SD-CD1 3.43Å; L177-L238 HydrophobicContact CD1-CD2 4.47Å; F204-L238 HydrophobicContact CE2-CB 3.75Å; F204-L238 HydrophobicContact CZ-CB 4.24Å; M208-L238 HydrophobicContact CE-CD1 3.51Å; M234-L238 VanDerWaalsContact O-CB 3.29Å; M234-L238 WeakPolarHBondContact O-CB 3.37Å; M234-L238 WeakPolarHBondContact O-CD1 3.5Å; M234-L238 WeakPolarHBondContact O-CG 3.33Å; M234-L238 PolarHBondContact O-N 2.87Å; R235-L238 PolarHBondContact O-N 2.96Å; L238-K240 VanDerWaalsContact C-N 3.26Å; L238-K240 PolarHBondContact O-N 3.27Å; L238-E241 PolarHBondContact O-N 3.35Å; L238-L242 VanDerWaalsContact O-CG 3.3Å; L238-L242 WeakPolarHBondContact O-CG 3.38Å; L238-L242 PolarHBondContact O-N 3.37Å
239	A	86.3	Confident	84.6	Confident	46 Å²	46	38.2 Å²	38.2	38%	0.38	19%	0.187	S	C	.	.	H	α-helix	trans	-59.4	-40.2	174.2	0	0	0	0	0	111.4	F204 R235 E236 L242	F204-A239 HydrophobicContact CE1-CB 4.28Å; F204-A239 HydrophobicContact CZ-CB 4.04Å; R235-A239 WeakPolarHBondContact O-CB 3.49Å; R235-A239 PolarHBondContact O-N 2.98Å; E236-A239 PolarHBondContact O-N 3.41Å; A239-L242 PolarHBondContact O-N 3.45Å
240	K	86.9	Confident	85.8	Confident	76 Å²	76	34.5 Å²	34.5	33%	0.33	18%	0.175	S	C	.	.	H	α-helix	trans	-66.8	-40.7	174.4	-70	175.6	178.4	-179.6	0	112.6	E236 T237 L238 L242 D243 N246 L415	E236-K240 WeakPolarHBondContact O-CG 3.45Å; E236-K240 PolarHBondContact O-N 2.79Å; T237-K240 WeakPolarHBondContact O-CB 3.45Å; T237-K240 PolarHBondContact O-N 3.06Å; L238-K240 VanDerWaalsContact C-N 3.26Å; L238-K240 PolarHBondContact O-N 3.27Å; K240-L242 VanDerWaalsContact C-N 3.29Å; K240-L242 PolarHBondContact O-N 2.86Å; K240-D243 PolarHBondContact O-N 3.46Å; K240-N246 PolarHBondContact O-ND2 3.4Å; K240-L415 HydrophobicContact CB-CD1 4.26Å; K240-L415 HydrophobicContact CD-CD1 3.99Å
241	E	85.4	Confident	87	Confident	18 Å²	18	34.6 Å²	34.6	8%	0.084	18%	0.175	C	C	.	.	H	α-helix	trans	-68.7	-25.4	177.6	-73.4	-169.3	179.7	0	0	113.9	K113 L177 T237 L238 D243	K113-E241 WeakPolarHBondContact CE-OE1 3.46Å; K113-E241 WeakPolarHBondContact CE-OE2 3.19Å; K113-E241 IonicContact NZ-OE1 3.39Å; K113-E241 PolarHBondContact NZ-OE1 2.85Å; K113-E241 IonicContact NZ-OE2 4Å; K113-E241 PolarHBondContact NZ-OE2 3.01Å; L177-E241 HydrophobicContact CD1-CB 4.15Å; L177-E241 VanDerWaalsContact CD1-OE2 3.31Å; L177-E241 WeakPolarHBondContact CD1-OE2 3.27Å; T237-E241 PolarHBondContact O-N 3.4Å; L238-E241 PolarHBondContact O-N 3.35Å; E241-D243 VanDerWaalsContact C-N 3.26Å
242	L	87.8	Confident	88	Confident	11 Å²	11	37.3 Å²	37.3	6%	0.058	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-5.2	176.3	-69.2	174.6	0	0	0	113.2	L177 Q196 L200 F204 L238 A239 K240	L177-L242 HydrophobicContact CD1-CD2 4.06Å; L177-L242 HydrophobicContact CD2-CD2 4.22Å; Q196-L242 HydrophobicContact CG-CD2 4.46Å; Q196-L242 VanDerWaalsContact NE2-CA 3.29Å; Q196-L242 PolarHBondContact NE2-O 3.22Å; L200-L242 HydrophobicContact CB-CD2 4.15Å; L200-L242 HydrophobicContact CD1-CD2 4.34Å; F204-L242 HydrophobicContact CB-CD1 4.23Å; F204-L242 HydrophobicContact CD2-CD1 3.28Å; F204-L242 HydrophobicContact CE2-CD1 3.72Å; F204-L242 HydrophobicContact CG-CD1 3.84Å; L238-L242 VanDerWaalsContact O-CG 3.3Å; L238-L242 WeakPolarHBondContact O-CG 3.38Å; L238-L242 PolarHBondContact O-N 3.37Å; A239-L242 PolarHBondContact O-N 3.45Å; K240-L242 VanDerWaalsContact C-N 3.29Å; K240-L242 PolarHBondContact O-N 2.86Å
243	D	92.5	Very high	88.9	Confident	36 Å²	36	37.3 Å²	37.3	19%	0.193	19%	0.192	C	C	.	.			trans	-109.6	95.4	177.2	-164.5	-24.7	0	0	0	110.8	K240 E241 E245 N246 E247 K282	K240-D243 PolarHBondContact O-N 3.46Å; E241-D243 VanDerWaalsContact C-N 3.26Å; D243-E245 PolarHBondContact O-N 2.64Å; D243-E245 WeakPolarHBondContact OD1-CB 3.46Å; D243-E245 PolarHBondContact OD1-N 3.48Å; D243-E245 VanDerWaalsContact OD1-N 3.13Å; D243-N246 HydrophobicContact CB-CB 4.18Å; D243-N246 WeakPolarHBondContact O-CB 3.45Å; D243-N246 PolarHBondContact O-N 2.89Å; D243-N246 VanDerWaalsContact O-N 3.15Å; D243-E247 PolarHBondContact O-N 2.8Å; D243-K282 IonicContact OD2-NZ 3.67Å; D243-K282 PolarHBondContact OD2-NZ 2.82Å
244	F	95.3	Very high	89.9	Confident	3 Å²	3	36.1 Å²	36.1	1%	0.013	19%	0.186	C	C	.	.	H	α-helix	trans	-69.7	-15.2	-179.5	-74.6	-8.8	0	0	0	114.6	A178 K194 Q196 E247 A248 S281 K282 R283 L285	A178-F244 HydrophobicContact CB-CE2 4.42Å; A178-F244 HydrophobicContact CB-CZ 3.79Å; K194-F244 HydrophobicContact CB-CE2 4.32Å; K194-F244 HydrophobicContact CD-CE1 3.93Å; K194-F244 HydrophobicContact CD-CE2 4.08Å; K194-F244 HydrophobicContact CD-CZ 3.65Å; K194-F244 HydrophobicContact CG-CE1 4.48Å; K194-F244 HydrophobicContact CG-CE2 3.82Å; K194-F244 HydrophobicContact CG-CZ 3.7Å; K194-F244 WeakPolarHBondContact O-CE2 3.3Å; Q196-F244 HydrophobicContact CB-CE2 4.01Å; Q196-F244 HydrophobicContact CB-CZ 4.2Å; F244-E247 WeakPolarHBondContact CD1-OE2 3.36Å; F244-E247 PolarHBondContact O-N 3.34Å; F244-A248 WeakPolarHBondContact O-CB 3.32Å; F244-A248 PolarHBondContact O-N 3.47Å; F244-S281 WeakPolarHBondContact CB-O 3.23Å; F244-K282 PolarHBondContact N-O 3.25Å; F244-K282 VanDerWaalsContact N-O 3.12Å; F244-R283 VanDerWaalsContact CD2-C 3.44Å; F244-R283 WeakPolarHBondContact CD2-O 3.39Å; F244-R283 WeakPolarHBondContact CE2-O 3.36Å; F244-L285 HydrophobicContact CB-CB 4.01Å; F244-L285 HydrophobicContact CD2-CB 3.88Å; F244-L285 HydrophobicContact CG-CB 4.03Å
245	E	95.7	Very high	90.7	Very high	76 Å²	76	36.5 Å²	36.5	36%	0.355	19%	0.189	S	C	.	.	H	α-helix	trans	-70.5	-38.9	170.7	-61.1	176.1	163.6	0	0	110.4	D243 A248 D249 K282	D243-E245 PolarHBondContact O-N 2.64Å; D243-E245 WeakPolarHBondContact OD1-CB 3.46Å; D243-E245 PolarHBondContact OD1-N 3.48Å; D243-E245 VanDerWaalsContact OD1-N 3.13Å; E245-A248 WeakPolarHBondContact O-CB 3.08Å; E245-A248 PolarHBondContact O-N 3.27Å; E245-D249 PolarHBondContact O-N 3.36Å; E245-K282 HydrophobicContact CG-CG 4.05Å; E245-K282 VanDerWaalsContact OE2-CE 3.29Å; E245-K282 WeakPolarHBondContact OE2-CE 3.47Å
246	N	94.7	Very high	91.1	Very high	45 Å²	45	37.2 Å²	37.2	24%	0.241	20%	0.197	C	C	.	.	H	α-helix	trans	-64.2	-41.1	172.5	166.8	77.4	0	0	0	111.5	K240 D243 A248 D249 N250 G414	K240-N246 PolarHBondContact O-ND2 3.4Å; D243-N246 HydrophobicContact CB-CB 4.18Å; D243-N246 WeakPolarHBondContact O-CB 3.45Å; D243-N246 PolarHBondContact O-N 2.89Å; D243-N246 VanDerWaalsContact O-N 3.15Å; N246-A248 VanDerWaalsContact C-N 3.3Å; N246-A248 PolarHBondContact O-N 2.72Å; N246-D249 PolarHBondContact O-N 3.5Å; N246-N250 PolarHBondContact ND2-ND2 2.94Å; N246-N250 WeakPolarHBondContact O-CB 3.31Å; N246-N250 PolarHBondContact O-N 3.34Å; N246-N250 PolarHBondContact O-ND2 2.87Å; N246-N250 VanDerWaalsContact O-ND2 3.15Å; N246-G414 PolarHBondContact ND2-O 3.4Å
247	E	95.5	Very high	91.5	Very high	11 Å²	11	34.1 Å²	34.1	5%	0.051	18%	0.184	C	C	.	.	H	α-helix	trans	-57.9	-43.3	172.3	177.8	165.6	179.7	0	0	111.7	K194 D243 F244 N250 S251 L285 H413	K194-E247 VanDerWaalsContact NZ-CD 3.3Å; K194-E247 IonicContact NZ-OE1 3.63Å; K194-E247 PolarHBondContact NZ-OE1 3.41Å; K194-E247 VanDerWaalsContact NZ-OE1 3.1Å; K194-E247 IonicContact NZ-OE2 3.22Å; K194-E247 PolarHBondContact NZ-OE2 2.91Å; D243-E247 PolarHBondContact O-N 2.8Å; F244-E247 WeakPolarHBondContact CD1-OE2 3.36Å; F244-E247 PolarHBondContact O-N 3.34Å; E247-N250 PolarHBondContact O-N 3Å; E247-S251 PolarHBondContact O-N 2.98Å; E247-L285 HydrophobicContact CB-CD2 4.43Å; E247-L285 VanDerWaalsContact CD-CD2 3.42Å; E247-L285 HydrophobicContact CG-CD2 3.72Å; E247-L285 WeakPolarHBondContact OE1-CD2 3.15Å; E247-H413 HydrophobicContact CG-CB 4.13Å; E247-H413 WeakPolarHBondContact O-CB 3.42Å; E247-H413 PolarHBondContact OE1-N 3.04Å
248	A	96.8	Very high	91.9	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.4	-35.9	177.2	0	0	0	0	0	113	F244 E245 N246 S251 V252 V275 R277 T280 L285	F244-A248 WeakPolarHBondContact O-CB 3.32Å; F244-A248 PolarHBondContact O-N 3.47Å; E245-A248 WeakPolarHBondContact O-CB 3.08Å; E245-A248 PolarHBondContact O-N 3.27Å; N246-A248 VanDerWaalsContact C-N 3.3Å; N246-A248 PolarHBondContact O-N 2.72Å; A248-S251 PolarHBondContact O-OG 3.08Å; A248-V252 WeakPolarHBondContact O-CG2 3.43Å; A248-V252 PolarHBondContact O-N 3.31Å; A248-V275 HydrophobicContact CB-CB 4.34Å; A248-V275 HydrophobicContact CB-CG1 3.72Å; A248-V275 HydrophobicContact CB-CG2 4.37Å; A248-R277 VanDerWaalsContact C-CZ 3.47Å; A248-R277 VanDerWaalsContact CB-NH1 3.26Å; A248-R277 PolarHBondContact O-NH2 3.15Å; A248-T280 HydrophobicContact CB-CG2 4.18Å; A248-L285 HydrophobicContact CB-CD1 3.8Å
249	D	95.8	Very high	92.1	Very high	90 Å²	90	35.4 Å²	35.4	48%	0.481	19%	0.194	S	C	.	.	H	α-helix	trans	-67.3	-42.9	174.8	-71.8	-16.3	0	0	0	111.4	E245 N246 S251 V252 Q253 R277	E245-D249 PolarHBondContact O-N 3.36Å; N246-D249 PolarHBondContact O-N 3.5Å; D249-S251 VanDerWaalsContact C-N 3.34Å; D249-S251 PolarHBondContact O-N 3.01Å; D249-V252 PolarHBondContact O-N 3.47Å; D249-Q253 PolarHBondContact O-N 2.95Å; D249-R277 VanDerWaalsContact CA-NH2 3.25Å; D249-R277 VanDerWaalsContact N-NH2 3.15Å; D249-R277 IonicContact OD1-CZ 3.69Å; D249-R277 IonicContact OD1-NH1 2.73Å; D249-R277 PolarHBondContact OD1-NH1 2.98Å; D249-R277 IonicContact OD1-NH2 3.59Å; D249-R277 PolarHBondContact OD1-NH2 3.49Å
250	N	95.7	Very high	91.8	Very high	16 Å²	16	37.6 Å²	37.6	9%	0.086	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-38.8	177.2	-68.4	-26.4	0	0	0	112.2	N246 E247 Q253 C254 F328 H413 Y416	N246-N250 PolarHBondContact ND2-ND2 2.94Å; N246-N250 WeakPolarHBondContact O-CB 3.31Å; N246-N250 PolarHBondContact O-N 3.34Å; N246-N250 PolarHBondContact O-ND2 2.87Å; N246-N250 VanDerWaalsContact O-ND2 3.15Å; E247-N250 PolarHBondContact O-N 3Å; N250-Q253 PolarHBondContact O-N 2.82Å; N250-C254 VanDerWaalsContact O-CB 3.23Å; N250-C254 WeakPolarHBondContact O-CB 3.34Å; N250-C254 PolarHBondContact O-N 3.38Å; N250-F328 HydrophobicContact CB-CZ 4.12Å; N250-F328 WeakPolarHBondContact OD1-CZ 3.47Å; N250-H413 HydrophobicContact CB-CB 3.95Å; N250-H413 WeakPolarHBondContact CB-O 3.5Å; N250-H413 PolarHBondContact ND2-O 3.14Å; N250-Y416 HydrophobicContact CB-CD2 3.69Å; N250-Y416 HydrophobicContact CB-CE2 4.21Å; N250-Y416 HydrophobicContact CB-CG 4.2Å
251	S	95.3	Very high	91.7	Very high	6 Å²	6	35 Å²	35	4%	0.042	19%	0.189	C	C	.	.	H	α-helix	trans	-64.3	-43.1	177.6	75.1	0	0	0	0	111.7	E247 A248 D249 C254 S255 V272 V275 H413	E247-S251 PolarHBondContact O-N 2.98Å; A248-S251 PolarHBondContact O-OG 3.08Å; D249-S251 VanDerWaalsContact C-N 3.34Å; D249-S251 PolarHBondContact O-N 3.01Å; S251-C254 PolarHBondContact O-N 3.17Å; S251-S255 WeakPolarHBondContact O-CB 3.5Å; S251-S255 PolarHBondContact O-N 3.38Å; S251-V272 WeakPolarHBondContact O-CG1 3.39Å; S251-V275 WeakPolarHBondContact OG-CG2 3.47Å; S251-H413 VanDerWaalsContact CB-CD2 3.42Å; S251-H413 WeakPolarHBondContact CB-CD2 3.41Å
252	V	94.4	Very high	91.6	Very high	65 Å²	65	35 Å²	35	39%	0.394	19%	0.193	S	C	.	.	H	α-helix	trans	-63.1	-47.3	176.2	173.3	0	0	0	0	110.7	A248 D249 S255 I256	A248-V252 WeakPolarHBondContact O-CG2 3.43Å; A248-V252 PolarHBondContact O-N 3.31Å; D249-V252 PolarHBondContact O-N 3.47Å; V252-S255 WeakPolarHBondContact O-CB 3.32Å; V252-S255 PolarHBondContact O-N 3.42Å; V252-I256 HydrophobicContact CG1-CD1 3.97Å; V252-I256 WeakPolarHBondContact O-CG1 3.42Å; V252-I256 PolarHBondContact O-N 3.26Å
253	Q	93.5	Very high	91.6	Very high	73 Å²	73	34.9 Å²	34.9	34%	0.341	19%	0.193	S	C	.	.	H	α-helix	trans	-61.6	-46	178.3	-177.8	57.3	36.1	0	0	111.3	D249 N250 S255 I256 D257 F328	D249-Q253 PolarHBondContact O-N 2.95Å; N250-Q253 PolarHBondContact O-N 2.82Å; Q253-S255 VanDerWaalsContact C-N 3.31Å; Q253-S255 PolarHBondContact O-N 3.4Å; Q253-I256 PolarHBondContact O-N 3.5Å; Q253-D257 PolarHBondContact NE2-OD1 2.63Å; Q253-D257 PolarHBondContact NE2-OD2 3.22Å; Q253-D257 VanDerWaalsContact O-CB 3.29Å; Q253-D257 WeakPolarHBondContact O-CB 3.3Å; Q253-D257 PolarHBondContact O-N 3.38Å; Q253-F328 HydrophobicContact CB-CD1 4.41Å; Q253-F328 HydrophobicContact CB-CE1 3.81Å; Q253-F328 HydrophobicContact CB-CZ 4.09Å; Q253-F328 HydrophobicContact CG-CD1 3.78Å; Q253-F328 HydrophobicContact CG-CD2 4.49Å; Q253-F328 HydrophobicContact CG-CE1 3.63Å; Q253-F328 HydrophobicContact CG-CE2 4.36Å; Q253-F328 HydrophobicContact CG-CG 4.21Å; Q253-F328 HydrophobicContact CG-CZ 3.94Å
254	C	94	Very high	91.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.007	21%	0.214	C	C	.	.	H	α-helix	trans	-59.1	-42.6	176.2	-175.8	0	0	0	0	111.8	N250 S251 I256 D257 L258 F328 Y416	N250-C254 VanDerWaalsContact O-CB 3.23Å; N250-C254 WeakPolarHBondContact O-CB 3.34Å; N250-C254 PolarHBondContact O-N 3.38Å; S251-C254 PolarHBondContact O-N 3.17Å; C254-I256 PolarHBondContact O-N 2.94Å; C254-D257 PolarHBondContact O-N 3.47Å; C254-L258 WeakPolarHBondContact O-CB 3.49Å; C254-L258 WeakPolarHBondContact O-CG 3.39Å; C254-L258 PolarHBondContact O-N 3.03Å; C254-F328 HydrophobicContact CB-CE1 4.37Å; C254-Y416 HydrophobicContact CB-CE1 4.19Å; C254-Y416 PolarHBondContact SG-OH 2.66Å
255	S	93.2	Very high	90.7	Very high	19 Å²	19	43 Å²	43	13%	0.133	24%	0.236	C	C	.	.	H	α-helix	trans	-61.9	-42.2	176.2	-172.1	0	0	0	0	112	S251 V252 Q253 S259 T263	S251-S255 WeakPolarHBondContact O-CB 3.5Å; S251-S255 PolarHBondContact O-N 3.38Å; V252-S255 WeakPolarHBondContact O-CB 3.32Å; V252-S255 PolarHBondContact O-N 3.42Å; Q253-S255 VanDerWaalsContact C-N 3.31Å; Q253-S255 PolarHBondContact O-N 3.4Å; S255-S259 PolarHBondContact O-N 3.21Å; S255-T263 WeakPolarHBondContact O-CB 3.47Å; S255-T263 PolarHBondContact O-OG1 3.06Å
256	I	90.6	Very high	90	Very high	84 Å²	84	47.2 Å²	47.2	43%	0.431	25%	0.253	S	S	.	.	H	α-helix	trans	-66.7	-45.7	176.6	-67.4	166.4	0	0	0	111	V252 Q253 C254 L258 S259	V252-I256 HydrophobicContact CG1-CD1 3.97Å; V252-I256 WeakPolarHBondContact O-CG1 3.42Å; V252-I256 PolarHBondContact O-N 3.26Å; Q253-I256 PolarHBondContact O-N 3.5Å; C254-I256 PolarHBondContact O-N 2.94Å; I256-L258 VanDerWaalsContact C-N 3.3Å; I256-L258 PolarHBondContact O-N 3.4Å; I256-S259 WeakPolarHBondContact O-CB 3.36Å; I256-S259 PolarHBondContact O-N 2.76Å; I256-S259 VanDerWaalsContact O-N 3.15Å; I256-S259 PolarHBondContact O-OG 2.77Å
257	D	88.7	Confident	89.3	Confident	14 Å²	14	47.4 Å²	47.4	8%	0.075	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-29.3	-176.1	-86.4	-5.4	0	0	0	113.7	Q253 C254 H321 T326 F328	Q253-D257 PolarHBondContact NE2-OD1 2.63Å; Q253-D257 PolarHBondContact NE2-OD2 3.22Å; Q253-D257 VanDerWaalsContact O-CB 3.29Å; Q253-D257 WeakPolarHBondContact O-CB 3.3Å; Q253-D257 PolarHBondContact O-N 3.38Å; C254-D257 PolarHBondContact O-N 3.47Å; D257-H321 PolarHBondContact O-CE1 3.24Å; D257-H321 VanDerWaalsContact O-CE1 3.25Å; D257-H321 PolarHBondContact O-ND1 3.32Å; D257-T326 HydrophobicContact CB-CG2 3.85Å; D257-F328 WeakPolarHBondContact OD2-CB 3.16Å
258	L	89	Confident	88.9	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	13	176.2	-63.8	-175.3	0	0	0	113.6	C254 I256 D260 L261 G262 T263 V270 H321 Q322 L410	C254-L258 WeakPolarHBondContact O-CB 3.49Å; C254-L258 WeakPolarHBondContact O-CG 3.39Å; C254-L258 PolarHBondContact O-N 3.03Å; I256-L258 VanDerWaalsContact C-N 3.3Å; I256-L258 PolarHBondContact O-N 3.4Å; L258-D260 PolarHBondContact O-N 3.24Å; L258-L261 HydrophobicContact CD2-CD1 4.13Å; L258-L261 WeakPolarHBondContact O-CA 3.36Å; L258-L261 WeakPolarHBondContact O-CB 3.39Å; L258-L261 PolarHBondContact O-N 3.32Å; L258-G262 PolarHBondContact O-N 3.38Å; L258-T263 HydrophobicContact CB-CG2 3.62Å; L258-T263 PolarHBondContact O-OG1 3.33Å; L258-T263 VanDerWaalsContact O-OG1 3.13Å; L258-V270 HydrophobicContact CD1-CG1 4.14Å; L258-H321 HydrophobicContact CD2-CB 3.99Å; L258-Q322 HydrophobicContact CD1-CG 4.43Å; L258-Q322 HydrophobicContact CD2-CG 4.05Å; L258-Q322 HydrophobicContact CG-CG 4.49Å; L258-L410 HydrophobicContact CD1-CD1 3.69Å
259	S	87.4	Confident	88.6	Confident	53 Å²	53	47.7 Å²	47.7	37%	0.371	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-54.7	-29	179.8	57.2	0	0	0	0	113.6	S255 I256 L261 G262 T263	S255-S259 PolarHBondContact O-N 3.21Å; I256-S259 WeakPolarHBondContact O-CB 3.36Å; I256-S259 PolarHBondContact O-N 2.76Å; I256-S259 VanDerWaalsContact O-N 3.15Å; I256-S259 PolarHBondContact O-OG 2.77Å; S259-L261 PolarHBondContact O-N 3.36Å; S259-G262 WeakPolarHBondContact O-CA 3.48Å; S259-G262 PolarHBondContact O-N 3.37Å; S259-T263 VanDerWaalsContact CA-OG1 3.27Å; S259-T263 WeakPolarHBondContact CA-OG1 3.47Å; S259-T263 PolarHBondContact N-OG1 2.98Å; S259-T263 VanDerWaalsContact N-OG1 3.1Å
260	D	79.9	Confident	88.4	Confident	92 Å²	92	43.4 Å²	43.4	49%	0.492	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-68	-20.2	175.6	-99.4	-30	0	0	0	114.4	L258 R401	L258-D260 PolarHBondContact O-N 3.24Å; D260-R401 PolarHBondContact O-NH2 3.41Å; D260-R401 IonicContact OD1-NH2 2.83Å; D260-R401 PolarHBondContact OD1-NH2 3.26Å
261	L	84.6	Confident	88.4	Confident	23 Å²	23	43.3 Å²	43.3	12%	0.12	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-93.2	-2	170.4	-58.5	179.3	0	0	0	112.9	L258 S259 S269 V270 A318	L258-L261 HydrophobicContact CD2-CD1 4.13Å; L258-L261 WeakPolarHBondContact O-CA 3.36Å; L258-L261 WeakPolarHBondContact O-CB 3.39Å; L258-L261 PolarHBondContact O-N 3.32Å; S259-L261 PolarHBondContact O-N 3.36Å; L261-S269 PolarHBondContact O-N 2.97Å; L261-V270 HydrophobicContact CB-CB 4.21Å; L261-V270 HydrophobicContact CB-CG2 3.85Å; L261-V270 HydrophobicContact CD1-CG2 3.86Å; L261-V270 HydrophobicContact CG-CG2 4.49Å; L261-V270 PolarHBondContact O-N 3.4Å; L261-A318 HydrophobicContact CD1-CB 4Å
262	G	84.3	Confident	88.4	Confident	17 Å²	17	43.3 Å²	43.3	18%	0.175	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	98	14	169.3	0	0	0	0	0	115.5	L258 S259 L264 D265 G268	L258-G262 PolarHBondContact O-N 3.38Å; S259-G262 WeakPolarHBondContact O-CA 3.48Å; S259-G262 PolarHBondContact O-N 3.37Å; G262-L264 PolarHBondContact O-N 3Å; G262-L264 VanDerWaalsContact O-N 3.09Å; G262-D265 CarbonylContact O-C 3.6Å; G262-D265 WeakPolarHBondContact O-CA 3.34Å; G262-D265 PolarHBondContact O-N 3.4Å; G262-G268 WeakPolarHBondContact O-CA 3.38Å
263	T	86.6	Confident	88.4	Confident	8 Å²	8	40.8 Å²	40.8	5%	0.049	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-24.3	179.3	43.8	0	0	0	0	115.4	S255 L258 S259 D265 V270 V272	S255-T263 WeakPolarHBondContact O-CB 3.47Å; S255-T263 PolarHBondContact O-OG1 3.06Å; L258-T263 HydrophobicContact CB-CG2 3.62Å; L258-T263 PolarHBondContact O-OG1 3.33Å; L258-T263 VanDerWaalsContact O-OG1 3.13Å; S259-T263 VanDerWaalsContact CA-OG1 3.27Å; S259-T263 WeakPolarHBondContact CA-OG1 3.47Å; S259-T263 PolarHBondContact N-OG1 2.98Å; S259-T263 VanDerWaalsContact N-OG1 3.1Å; T263-D265 VanDerWaalsContact C-N 3.3Å; T263-V270 VanDerWaalsContact CA-O 3.29Å; T263-V270 WeakPolarHBondContact CA-O 3.29Å; T263-V270 HydrophobicContact CG2-CB 3.86Å; T263-V270 HydrophobicContact CG2-CG1 3.76Å; T263-V270 WeakPolarHBondContact CG2-O 3.36Å; T263-V270 PolarHBondContact N-O 3.26Å; T263-V272 HydrophobicContact CG2-CG2 4.18Å
264	L	85.2	Confident	88.5	Confident	121 Å²	121	41.7 Å²	41.7	63%	0.634	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-2.2	175.1	-58.1	-178	0	0	0	113.5	G262	G262-L264 PolarHBondContact O-N 3Å; G262-L264 VanDerWaalsContact O-N 3.09Å
265	D	84	Confident	88.6	Confident	89 Å²	89	42.8 Å²	42.8	48%	0.476	23%	0.226	S	C	.	.	S	Bend	trans	-117.9	131.3	174.7	-177.5	-12	0	0	0	108.3	G262 T263 N267 G268	G262-D265 CarbonylContact O-C 3.6Å; G262-D265 WeakPolarHBondContact O-CA 3.34Å; G262-D265 PolarHBondContact O-N 3.4Å; T263-D265 VanDerWaalsContact C-N 3.3Å; D265-N267 PolarHBondContact O-N 2.91Å; D265-N267 PolarHBondContact OD1-N 2.95Å; D265-N267 PolarHBondContact OD1-ND2 3.44Å; D265-G268 WeakPolarHBondContact O-CA 3.37Å; D265-G268 PolarHBondContact O-N 3.25Å
266	K	80.5	Confident	88.7	Confident	165 Å²	165	43.2 Å²	43.2	72%	0.717	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-22.1	176.7	-65.5	-171.4	177.5	-171.5	0	112.7	P344 Q407	K266-P344 WeakPolarHBondContact O-CD 3.41Å; K266-Q407 PolarHBondContact O-NE2 3.33Å
267	N	80.8	Confident	88.9	Confident	48 Å²	48	43.9 Å²	43.9	26%	0.257	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	8.9	177	-56.3	-47.9	0	0	0	113.6	D265 K343 P344	D265-N267 PolarHBondContact O-N 2.91Å; D265-N267 PolarHBondContact OD1-N 2.95Å; D265-N267 PolarHBondContact OD1-ND2 3.44Å; N267-K343 WeakPolarHBondContact O-CD 3.48Å; N267-K343 WeakPolarHBondContact O-CE 3.47Å; N267-P344 PolarHBondContact OD1-O 3.48Å; N267-P344 VanDerWaalsContact OD1-O 3.12Å
268	G	86.4	Confident	89.2	Confident	4 Å²	4	51.3 Å²	51.3	4%	0.041	26%	0.255	C	S	.	.			trans	-55.8	154.2	174.6	0	0	0	0	0	113	G262 D265 V270 K343 Q407	G262-G268 WeakPolarHBondContact O-CA 3.38Å; D265-G268 WeakPolarHBondContact O-CA 3.37Å; D265-G268 PolarHBondContact O-N 3.25Å; G268-V270 VanDerWaalsContact C-N 3.31Å; G268-K343 WeakPolarHBondContact O-CE 3.14Å; G268-Q407 WeakPolarHBondContact O-CG 3.46Å; G268-Q407 PolarHBondContact O-NE2 3.38Å
269	S	90.4	Very high	89.5	Confident	14 Å²	14	52.3 Å²	52.3	10%	0.098	26%	0.261	C	S	.	.	S	Bend	trans	-77	-25.6	174.1	-51.2	0	0	0	0	111.1	L261 L314 K343 Q407 L408	L261-S269 PolarHBondContact O-N 2.97Å; S269-L314 WeakPolarHBondContact O-CD2 3.49Å; S269-K343 PolarHBondContact OG-NZ 2.91Å; S269-Q407 CarbonylContact O-C 3.57Å; S269-Q407 WeakPolarHBondContact O-CA 3.22Å; S269-L408 PolarHBondContact O-N 3.5Å
270	V	92.8	Very high	89.9	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.9	169.3	-177.1	0	0	0	0	108.6	L258 L261 T263 G268 L314 A318 L408 L410	L258-V270 HydrophobicContact CD1-CG1 4.14Å; L261-V270 HydrophobicContact CB-CB 4.21Å; L261-V270 HydrophobicContact CB-CG2 3.85Å; L261-V270 HydrophobicContact CD1-CG2 3.86Å; L261-V270 HydrophobicContact CG-CG2 4.49Å; L261-V270 PolarHBondContact O-N 3.4Å; T263-V270 VanDerWaalsContact CA-O 3.29Å; T263-V270 WeakPolarHBondContact CA-O 3.29Å; T263-V270 HydrophobicContact CG2-CB 3.86Å; T263-V270 HydrophobicContact CG2-CG1 3.76Å; T263-V270 WeakPolarHBondContact CG2-O 3.36Å; T263-V270 PolarHBondContact N-O 3.26Å; G268-V270 VanDerWaalsContact C-N 3.31Å; V270-L314 HydrophobicContact CG2-CD1 3.86Å; V270-L314 HydrophobicContact CG2-CG 4.48Å; V270-A318 HydrophobicContact CG2-CB 4Å; V270-L408 CarbonylContact C-O 3.54Å; V270-L408 VanDerWaalsContact CA-O 3.25Å; V270-L408 WeakPolarHBondContact CA-O 3.27Å; V270-L410 HydrophobicContact CG1-CD1 3.87Å; V270-L410 HydrophobicContact CG1-CG 3.91Å
271	H	94.4	Very high	90.7	Very high	13 Å²	13	46.6 Å²	46.6	6%	0.06	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	140.1	175.2	-172.5	68.6	0	0	0	109.9	E288 R341 Q407 L408 V409 L410	H271-E288 IonicContact CD2-OE2 3.53Å; H271-E288 IonicContact CE1-OE2 2.89Å; H271-E288 PolarHBondContact CE1-OE2 2.85Å; H271-E288 IonicContact NE2-OE1 2.74Å; H271-E288 IonicContact NE2-OE2 2.88Å; H271-E288 PolarHBondContact NE2-OE2 3.18Å; H271-R341 PolarHBondContact CD2-NH2 3.14Å; H271-Q407 HydrophobicContact CB-CG 3.9Å; H271-L408 PolarHBondContact N-O 2.94Å; H271-V409 HydrophobicContact CB-CG2 4.24Å; H271-V409 WeakPolarHBondContact O-CA 3.39Å; H271-L410 PolarHBondContact O-N 3.01Å
272	V	95.2	Very high	91.1	Very high	7 Å²	7	48.7 Å²	48.7	4%	0.042	24%	0.235	C	C	.	.			trans	-121.7	121.6	171.1	173.5	0	0	0	0	106.3	S251 T263 W274 L410 H413	S251-V272 WeakPolarHBondContact O-CG1 3.39Å; T263-V272 HydrophobicContact CG2-CG2 4.18Å; V272-W274 PolarHBondContact O-N 3.27Å; V272-L410 HydrophobicContact CG2-CB 4.41Å; V272-H413 WeakPolarHBondContact CG1-NE2 3.41Å
273	P	95	Very high	91.6	Very high	12 Å²	12	49.2 Å²	49.2	8%	0.078	23%	0.232	C	C	.	.			trans	-49.9	133.2	176.9	-29.8	36.9	0	0	0	111.8	A287 E288 I290 V409 L410 L411	P273-A287 HydrophobicContact CB-CB 4.34Å; P273-E288 HydrophobicContact CB-CB 3.95Å; P273-I290 HydrophobicContact CG-CD1 4.39Å; P273-I290 HydrophobicContact CG-CG1 3.87Å; P273-V409 HydrophobicContact CG-CG1 4.24Å; P273-L410 WeakPolarHBondContact CD-O 3.48Å; P273-L411 HydrophobicContact CG-CD2 3.47Å; P273-L411 VanDerWaalsContact CG-CD2 3.47Å
274	W	94.9	Very high	92.1	Very high	91 Å²	91	48.9 Å²	48.9	35%	0.345	23%	0.23	S	C	.	.			trans	-69.2	152.1	169.5	57.9	-95.4	0	0	0	109.9	E189 V191 V272 D276 A287 E288	E189-W274 HydrophobicContact CB-CH2 4.07Å; E189-W274 HydrophobicContact CB-CZ2 4.02Å; E189-W274 HydrophobicContact CG-CZ2 4.38Å; V191-W274 HydrophobicContact CG1-CH2 3.54Å; V191-W274 HydrophobicContact CG1-CZ2 4.24Å; V191-W274 HydrophobicContact CG1-CZ3 4.21Å; V272-W274 PolarHBondContact O-N 3.27Å; W274-D276 HydrophobicContact CZ3-CB 4.1Å; W274-A287 CarbonylContact O-C 3.16Å; W274-A287 VanDerWaalsContact O-CA 3.25Å; W274-A287 WeakPolarHBondContact O-CA 3.49Å; W274-E288 HydrophobicContact CD2-CB 4.06Å; W274-E288 HydrophobicContact CG-CB 4.08Å; W274-E288 HydrophobicContact CZ2-CB 4.21Å; W274-E288 HydrophobicContact CZ2-CG 4.41Å; W274-E288 PolarHBondContact NE1-OE2 3.35Å; W274-E288 PolarHBondContact O-N 3.41Å
275	V	96.3	Very high	92.6	Very high	24 Å²	24	43.6 Å²	43.6	15%	0.145	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-116.3	129.9	179.8	177.3	0	0	0	0	109.3	A248 S251 R277 T280 L285 T286 A287	A248-V275 HydrophobicContact CB-CB 4.34Å; A248-V275 HydrophobicContact CB-CG1 3.72Å; A248-V275 HydrophobicContact CB-CG2 4.37Å; S251-V275 WeakPolarHBondContact OG-CG2 3.47Å; V275-R277 PolarHBondContact O-N 2.83Å; V275-T280 HydrophobicContact CG1-CG2 4.48Å; V275-T280 WeakPolarHBondContact CG1-OG1 3.36Å; V275-L285 HydrophobicContact CG1-CD1 3.55Å; V275-L285 HydrophobicContact CG2-CD1 4.21Å; V275-T286 WeakPolarHBondContact CA-O 3.44Å; V275-T286 WeakPolarHBondContact CG1-O 3.26Å; V275-A287 HydrophobicContact CG2-CB 4.19Å
276	D	95.8	Very high	93.3	Very high	28 Å²	28	39.3 Å²	39.3	15%	0.15	18%	0.179	C	C	.	.			trans	-77.8	103.9	170	-168.5	-23.2	0	0	0	109.6	W274 K278 L279 T280 T286	W274-D276 HydrophobicContact CZ3-CB 4.1Å; D276-K278 VanDerWaalsContact C-N 3.25Å; D276-K278 PolarHBondContact O-N 3.39Å; D276-K278 WeakPolarHBondContact OD1-CB 3.37Å; D276-K278 PolarHBondContact OD1-N 2.93Å; D276-L279 HydrophobicContact CB-CB 4.22Å; D276-L279 CarbonylContact O-C 3.51Å; D276-L279 PolarHBondContact O-N 3.02Å; D276-L279 PolarHBondContact OD1-N 3.22Å; D276-L279 WeakPolarHBondContact OD2-CD1 3.28Å; D276-T280 WeakPolarHBondContact O-CB 3.29Å; D276-T280 PolarHBondContact O-N 2.73Å; D276-T280 PolarHBondContact O-OG1 2.68Å; D276-T286 HydrophobicContact CB-CG2 4.1Å; D276-T286 PolarHBondContact N-O 2.87Å
277	R	94.9	Very high	94.1	Very high	99 Å²	99	32.2 Å²	32.2	37%	0.374	15%	0.152	S	C	.	.	G	3₁₀ helix	trans	-67.2	-22.2	179	-65	-54.4	-171	129.7	12.1	114.3	A248 D249 V275	A248-R277 VanDerWaalsContact C-CZ 3.47Å; A248-R277 VanDerWaalsContact CB-NH1 3.26Å; A248-R277 PolarHBondContact O-NH2 3.15Å; D249-R277 VanDerWaalsContact CA-NH2 3.25Å; D249-R277 VanDerWaalsContact N-NH2 3.15Å; D249-R277 IonicContact OD1-CZ 3.69Å; D249-R277 IonicContact OD1-NH1 2.73Å; D249-R277 PolarHBondContact OD1-NH1 2.98Å; D249-R277 IonicContact OD1-NH2 3.59Å; D249-R277 PolarHBondContact OD1-NH2 3.49Å; V275-R277 PolarHBondContact O-N 2.83Å
278	K	94.7	Very high	94.8	Very high	170 Å²	170	31.7 Å²	31.7	74%	0.739	15%	0.148	S	C	*	.	G	3₁₀ helix	trans	-78.4	-27	177.5	-61.9	178.2	-178.9	174.7	0	111.8	D276	D276-K278 VanDerWaalsContact C-N 3.25Å; D276-K278 PolarHBondContact O-N 3.39Å; D276-K278 WeakPolarHBondContact OD1-CB 3.37Å; D276-K278 PolarHBondContact OD1-N 2.93Å
279	L	95.5	Very high	95.2	Very high	21 Å²	21	33 Å²	33	11%	0.11	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-106.8	24.3	178.4	-59.5	178.4	0	0	0	111.7	L163 F164 D276 T286	L163-L279 HydrophobicContact CB-CD2 4.14Å; L163-L279 HydrophobicContact CD2-CD2 4.14Å; F164-L279 HydrophobicContact CD1-CD1 4.24Å; F164-L279 HydrophobicContact CE1-CD1 3.67Å; F164-L279 HydrophobicContact CZ-CD1 4.15Å; D276-L279 HydrophobicContact CB-CB 4.22Å; D276-L279 CarbonylContact O-C 3.51Å; D276-L279 PolarHBondContact O-N 3.02Å; D276-L279 PolarHBondContact OD1-N 3.22Å; D276-L279 WeakPolarHBondContact OD2-CD1 3.28Å; L279-T286 HydrophobicContact CB-CG2 4.08Å; L279-T286 HydrophobicContact CD1-CG2 4.39Å; L279-T286 VanDerWaalsContact O-CB 3.3Å; L279-T286 WeakPolarHBondContact O-CB 3.39Å; L279-T286 PolarHBondContact O-OG1 3.41Å
280	T	96.5	Very high	95.3	Very high	14 Å²	14	33.1 Å²	33.1	9%	0.086	15%	0.151	C	C	.	.			trans	-122.4	136.5	176.3	-64.6	0	0	0	0	109.4	A248 V275 D276 V284 L285 T286	A248-T280 HydrophobicContact CB-CG2 4.18Å; V275-T280 HydrophobicContact CG1-CG2 4.48Å; V275-T280 WeakPolarHBondContact CG1-OG1 3.36Å; D276-T280 WeakPolarHBondContact O-CB 3.29Å; D276-T280 PolarHBondContact O-N 2.73Å; D276-T280 PolarHBondContact O-OG1 2.68Å; T280-V284 CarbonylContact C-O 3.57Å; T280-V284 VanDerWaalsContact CA-O 3.24Å; T280-V284 WeakPolarHBondContact CA-O 3.45Å; T280-L285 HydrophobicContact CG2-CD1 3.78Å; T280-T286 PolarHBondContact OG1-N 3.28Å
281	S	96	Very high	95.2	Very high	11 Å²	11	38.3 Å²	38.3	8%	0.077	18%	0.179	C	C	.	.			trans	-135	-175.7	174.6	72.4	0	0	0	0	108.5	D155 F244 R283 V284	D155-S281 VanDerWaalsContact OD2-CB 3.32Å; D155-S281 WeakPolarHBondContact OD2-CB 3.42Å; D155-S281 PolarHBondContact OD2-OG 2.93Å; F244-S281 WeakPolarHBondContact CB-O 3.23Å; S281-R283 PolarHBondContact O-N 3.21Å; S281-R283 PolarHBondContact OG-N 2.69Å; S281-V284 PolarHBondContact N-O 2.79Å; S281-V284 PolarHBondContact OG-N 3.44Å
282	K	94	Very high	95.2	Very high	66 Å²	66	39.4 Å²	39.4	29%	0.287	19%	0.194	S	C	.	.	S	Bend	trans	-62.1	-25.9	173.3	-63.1	-163.1	170.7	-127.3	0	114.2	D243 F244 E245	D243-K282 IonicContact OD2-NZ 3.67Å; D243-K282 PolarHBondContact OD2-NZ 2.82Å; F244-K282 PolarHBondContact N-O 3.25Å; F244-K282 VanDerWaalsContact N-O 3.12Å; E245-K282 HydrophobicContact CG-CG 4.05Å; E245-K282 VanDerWaalsContact OE2-CE 3.29Å; E245-K282 WeakPolarHBondContact OE2-CE 3.47Å
283	R	94.1	Very high	95.1	Very high	29 Å²	29	40.8 Å²	40.8	11%	0.109	20%	0.201	C	C	.	.	S	Bend	trans	-111.9	-11.5	-176.2	-54.6	-174.7	-73.1	175	-3.7	113.9	I151 E154 D155 Q196 F244 S281	I151-R283 HydrophobicContact CG2-CB 4.03Å; E154-R283 IonicContact OE2-CZ 3.12Å; E154-R283 VanDerWaalsContact OE2-CZ 3.22Å; E154-R283 IonicContact OE2-NH1 3.72Å; E154-R283 PolarHBondContact OE2-NH1 2.93Å; E154-R283 IonicContact OE2-NH2 3.83Å; E154-R283 PolarHBondContact OE2-NH2 3.43Å; D155-R283 IonicContact OD1-CZ 3.82Å; D155-R283 VanDerWaalsContact OD1-CZ 3.23Å; D155-R283 IonicContact OD1-NE 2.72Å; D155-R283 PolarHBondContact OD1-NE 3.32Å; D155-R283 IonicContact OD1-NH2 2.95Å; D155-R283 PolarHBondContact OD1-NH2 2.9Å; D155-R283 WeakPolarHBondContact OD2-CB 3.47Å; D155-R283 IonicContact OD2-NE 3.49Å; D155-R283 PolarHBondContact OD2-NE 3.36Å; Q196-R283 HydrophobicContact CB-CB 4.15Å; Q196-R283 WeakPolarHBondContact CB-O 3.27Å; Q196-R283 PolarHBondContact N-O 2.91Å; F244-R283 VanDerWaalsContact CD2-C 3.44Å; F244-R283 WeakPolarHBondContact CD2-O 3.39Å; F244-R283 WeakPolarHBondContact CE2-O 3.36Å; S281-R283 PolarHBondContact O-N 3.21Å; S281-R283 PolarHBondContact OG-N 2.69Å
284	V	96.2	Very high	95	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.4	179.6	-179.1	0	0	0	0	110	I151 F152 F156 V193 K194 V195 T280 S281	I151-V284 HydrophobicContact CG2-CG2 3.77Å; F152-V284 HydrophobicContact CD2-CG2 4.45Å; F152-V284 HydrophobicContact CE1-CG1 4.03Å; F152-V284 HydrophobicContact CE2-CG1 4.28Å; F152-V284 HydrophobicContact CE2-CG2 4.13Å; F152-V284 HydrophobicContact CZ-CG1 3.63Å; F152-V284 HydrophobicContact CZ-CG2 4.2Å; F156-V284 HydrophobicContact CE2-CB 3.71Å; F156-V284 HydrophobicContact CE2-CG1 3.92Å; F156-V284 HydrophobicContact CE2-CG2 3.88Å; F156-V284 HydrophobicContact CZ-CB 4.01Å; F156-V284 HydrophobicContact CZ-CG1 4.2Å; V193-V284 HydrophobicContact CG1-CG1 3.78Å; K194-V284 CarbonylContact O-C 3.6Å; K194-V284 WeakPolarHBondContact O-CA 3.41Å; V195-V284 HydrophobicContact CG1-CG2 4.46Å; T280-V284 CarbonylContact C-O 3.57Å; T280-V284 VanDerWaalsContact CA-O 3.24Å; T280-V284 WeakPolarHBondContact CA-O 3.45Å; S281-V284 PolarHBondContact N-O 2.79Å; S281-V284 PolarHBondContact OG-N 3.44Å
285	L	97	Very high	94.9	Very high	10 Å²	10	40.5 Å²	40.5	5%	0.052	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	123.8	173.4	178.3	68.4	0	0	0	109.5	V193 K194 F244 E247 A248 V275 T280	V193-L285 CarbonylContact C-O 3.53Å; V193-L285 WeakPolarHBondContact CA-O 3.44Å; K194-L285 HydrophobicContact CB-CB 4.18Å; K194-L285 HydrophobicContact CD-CD2 4.37Å; K194-L285 PolarHBondContact N-O 2.87Å; K194-L285 PolarHBondContact O-N 3.26Å; F244-L285 HydrophobicContact CB-CB 4.01Å; F244-L285 HydrophobicContact CD2-CB 3.88Å; F244-L285 HydrophobicContact CG-CB 4.03Å; E247-L285 HydrophobicContact CB-CD2 4.43Å; E247-L285 VanDerWaalsContact CD-CD2 3.42Å; E247-L285 HydrophobicContact CG-CD2 3.72Å; E247-L285 WeakPolarHBondContact OE1-CD2 3.15Å; A248-L285 HydrophobicContact CB-CD1 3.8Å; V275-L285 HydrophobicContact CG1-CD1 3.55Å; V275-L285 HydrophobicContact CG2-CD1 4.21Å; T280-L285 HydrophobicContact CG2-CD1 3.78Å
286	T	97.6	Very high	94.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	113.2	176.4	-61.3	0	0	0	0	109.7	F164 V191 V193 V275 D276 L279 T280	F164-T286 HydrophobicContact CE1-CG2 3.96Å; F164-T286 HydrophobicContact CZ-CG2 4.31Å; V191-T286 HydrophobicContact CB-CG2 3.86Å; V191-T286 HydrophobicContact CG1-CG2 4.09Å; V191-T286 HydrophobicContact CG2-CG2 3.85Å; V193-T286 HydrophobicContact CG2-CG2 4.32Å; V275-T286 WeakPolarHBondContact CA-O 3.44Å; V275-T286 WeakPolarHBondContact CG1-O 3.26Å; D276-T286 HydrophobicContact CB-CG2 4.1Å; D276-T286 PolarHBondContact N-O 2.87Å; L279-T286 HydrophobicContact CB-CG2 4.08Å; L279-T286 HydrophobicContact CD1-CG2 4.39Å; L279-T286 VanDerWaalsContact O-CB 3.3Å; L279-T286 WeakPolarHBondContact O-CB 3.39Å; L279-T286 PolarHBondContact O-OG1 3.41Å; T280-T286 PolarHBondContact OG1-N 3.28Å
287	A	97.1	Very high	94.5	Very high	16 Å²	16	45.9 Å²	45.9	13%	0.132	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	162.4	-177.4	0	0	0	0	0	112.3	V191 A192 P273 W274 V275 F289	V191-A287 CarbonylContact C-O 3.51Å; V191-A287 WeakPolarHBondContact CA-O 3.42Å; V191-A287 VanDerWaalsContact CB-O 3.28Å; V191-A287 WeakPolarHBondContact CB-O 3.41Å; A192-A287 PolarHBondContact N-O 3.26Å; A192-A287 PolarHBondContact O-N 3.43Å; P273-A287 HydrophobicContact CB-CB 4.34Å; W274-A287 CarbonylContact O-C 3.16Å; W274-A287 VanDerWaalsContact O-CA 3.25Å; W274-A287 WeakPolarHBondContact O-CA 3.49Å; V275-A287 HydrophobicContact CG2-CB 4.19Å; A287-F289 PolarHBondContact O-N 3.21Å
288	E	96.1	Very high	94.4	Very high	37 Å²	37	42.4 Å²	42.4	17%	0.173	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-48.9	129.5	173.7	-171.3	-173.8	169.5	0	0	111.1	H271 P273 W274 I290	H271-E288 IonicContact CD2-OE2 3.53Å; H271-E288 IonicContact CE1-OE2 2.89Å; H271-E288 PolarHBondContact CE1-OE2 2.85Å; H271-E288 IonicContact NE2-OE1 2.74Å; H271-E288 IonicContact NE2-OE2 2.88Å; H271-E288 PolarHBondContact NE2-OE2 3.18Å; P273-E288 HydrophobicContact CB-CB 3.95Å; W274-E288 HydrophobicContact CD2-CB 4.06Å; W274-E288 HydrophobicContact CG-CB 4.08Å; W274-E288 HydrophobicContact CZ2-CB 4.21Å; W274-E288 HydrophobicContact CZ2-CG 4.41Å; W274-E288 PolarHBondContact NE1-OE2 3.35Å; W274-E288 PolarHBondContact O-N 3.41Å; E288-I290 HydrophobicContact CB-CD1 4.35Å; E288-I290 VanDerWaalsContact CD-CD1 3.44Å; E288-I290 HydrophobicContact CG-CD1 3.8Å; E288-I290 WeakPolarHBondContact OE1-CD1 3.39Å
289	F	95.1	Very high	94.4	Very high	32 Å²	32	38.2 Å²	38.2	14%	0.14	21%	0.208	C	C	.	.			trans	-73.5	128.5	170.8	-178.6	-106.8	0	0	0	110	L172 E190 A192 A287 D291	L172-F289 HydrophobicContact CD2-CD2 4.41Å; L172-F289 HydrophobicContact CD2-CE2 3.58Å; L172-F289 HydrophobicContact CD2-CZ 4.46Å; E190-F289 HydrophobicContact CB-CB 3.93Å; E190-F289 HydrophobicContact CB-CD1 4.38Å; E190-F289 WeakPolarHBondContact O-CB 3.26Å; E190-F289 PolarHBondContact O-N 3.03Å; E190-F289 WeakPolarHBondContact OE2-CD1 3.42Å; A192-F289 HydrophobicContact CB-CD2 4.31Å; A287-F289 PolarHBondContact O-N 3.21Å; F289-D291 WeakPolarHBondContact CE1-OD1 3.42Å; F289-D291 WeakPolarHBondContact CZ-OD1 3.43Å
290	I	93.1	Very high	94.4	Very high	15 Å²	15	38.6 Å²	38.6	8%	0.077	21%	0.214	C	C	.	.			trans	-119.1	119.9	-178.9	-56	-65.2	0	0	0	110.7	P273 E288 L339 V409 L411	P273-I290 HydrophobicContact CG-CD1 4.39Å; P273-I290 HydrophobicContact CG-CG1 3.87Å; E288-I290 HydrophobicContact CB-CD1 4.35Å; E288-I290 VanDerWaalsContact CD-CD1 3.44Å; E288-I290 HydrophobicContact CG-CD1 3.8Å; E288-I290 WeakPolarHBondContact OE1-CD1 3.39Å; I290-L339 HydrophobicContact CB-CD1 4.13Å; I290-L339 HydrophobicContact CG2-CD1 3.82Å; I290-V409 HydrophobicContact CB-CG1 4.41Å; I290-V409 HydrophobicContact CD1-CG1 4.44Å; I290-V409 HydrophobicContact CG1-CG1 3.98Å; I290-V409 HydrophobicContact CG2-CB 4.29Å; I290-V409 HydrophobicContact CG2-CG1 3.92Å; I290-V409 HydrophobicContact CG2-CG2 3.93Å; I290-L411 HydrophobicContact CG1-CD2 4.42Å
291	D	90.5	Very high	94.3	Very high	109 Å²	109	38 Å²	38	58%	0.583	21%	0.21	S	C	*	.			trans	-82.8	131.2	161.8	-67.3	-49	0	0	0	111.1	F289 R341	F289-D291 WeakPolarHBondContact CE1-OD1 3.42Å; F289-D291 WeakPolarHBondContact CZ-OD1 3.43Å; D291-R341 WeakPolarHBondContact O-CD 3.4Å
292	G	92.7	Very high	94.1	Very high	36 Å²	36	44.4 Å²	44.4	37%	0.371	23%	0.233	S	C	.	.			trans	-176.6	168.2	177	0	0	0	0	0	113	V340	G292-V340 WeakPolarHBondContact CA-O 3.24Å
293	I	94.1	Very high	94.1	Very high	37 Å²	37	47.9 Å²	47.9	19%	0.19	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	129.8	176.7	-56.3	179.6	0	0	0	108	Q297 A300 L301 A304 F306 L339 V340	I293-Q297 HydrophobicContact CG2-CB 3.94Å; I293-A300 HydrophobicContact CD1-CB 4.36Å; I293-A300 HydrophobicContact CG2-CB 3.71Å; I293-L301 HydrophobicContact CB-CD2 3.85Å; I293-L301 HydrophobicContact CG2-CD2 3.67Å; I293-L301 HydrophobicContact CG2-CG 3.87Å; I293-A304 HydrophobicContact CD1-CB 3.54Å; I293-F306 HydrophobicContact CD1-CE2 4.08Å; I293-L339 CarbonylContact O-C 3.37Å; I293-L339 WeakPolarHBondContact O-CA 3.34Å; I293-V340 PolarHBondContact N-O 3.17Å; I293-V340 PolarHBondContact O-N 2.98Å
294	K	93.3	Very high	94	Very high	97 Å²	97	48.2 Å²	48.2	42%	0.422	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	140	176.2	-66.8	179.9	177.9	-179.4	0	110	N296 Q297 L339	K294-N296 VanDerWaalsContact CB-OD1 3.29Å; K294-N296 WeakPolarHBondContact CB-OD1 3.42Å; K294-N296 PolarHBondContact O-N 2.85Å; K294-N296 VanDerWaalsContact O-N 3.08Å; K294-Q297 HydrophobicContact CB-CG 4.1Å; K294-Q297 WeakPolarHBondContact O-CB 3.37Å; K294-Q297 PolarHBondContact O-N 3.4Å; K294-L339 HydrophobicContact CB-CD2 4.39Å; K294-L339 HydrophobicContact CG-CD2 3.7Å
295	I	92.9	Very high	93.8	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-29.7	-174.1	-156.6	163.7	0	0	0	112.9	Q297 L301 L311 L315 P335 L338 V340 L408 I520 H524	I295-Q297 VanDerWaalsContact C-N 3.31Å; I295-Q297 PolarHBondContact O-N 3.15Å; I295-L301 VanDerWaalsContact O-CD1 3.29Å; I295-L301 WeakPolarHBondContact O-CD1 3.36Å; I295-L311 HydrophobicContact CD1-CD1 4.32Å; I295-L311 HydrophobicContact CD1-CD2 4.49Å; I295-L311 HydrophobicContact CD1-CG 4.41Å; I295-L311 HydrophobicContact CG1-CD2 4.11Å; I295-L315 HydrophobicContact CD1-CD1 3.96Å; I295-L315 HydrophobicContact CD1-CD2 4.17Å; I295-P335 HydrophobicContact CG2-CB 3.88Å; I295-P335 WeakPolarHBondContact CG2-O 3.33Å; I295-L338 HydrophobicContact CB-CB 3.93Å; I295-L338 HydrophobicContact CD1-CB 4.27Å; I295-L338 HydrophobicContact CD1-CD1 4.17Å; I295-L338 HydrophobicContact CG2-CB 3.81Å; I295-L338 HydrophobicContact CG2-CD1 4.18Å; I295-L338 PolarHBondContact N-O 2.97Å; I295-V340 HydrophobicContact CB-CG2 4.47Å; I295-V340 HydrophobicContact CG1-CG2 4.3Å; I295-L408 HydrophobicContact CD1-CD1 4.25Å; I295-I520 HydrophobicContact CD1-CD1 4.42Å; I295-I520 HydrophobicContact CD1-CG2 3.8Å; I295-I520 HydrophobicContact CG1-CG2 3.9Å; I295-I520 HydrophobicContact CG2-CD1 3.97Å; I295-I520 HydrophobicContact CG2-CG1 4.3Å; I295-I520 HydrophobicContact CG2-CG2 4.27Å; I295-H524 PolarHBondContact O-NE2 2.94Å
296	N	90.7	Very high	93.5	Very high	79 Å²	79	51.2 Å²	51.2	42%	0.422	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-6.9	178.6	64.7	-10.2	0	0	0	114.4	K294 V298 P335	K294-N296 VanDerWaalsContact CB-OD1 3.29Å; K294-N296 WeakPolarHBondContact CB-OD1 3.42Å; K294-N296 PolarHBondContact O-N 2.85Å; K294-N296 VanDerWaalsContact O-N 3.08Å; N296-V298 VanDerWaalsContact C-N 3.27Å; N296-V298 PolarHBondContact O-N 2.84Å; N296-P335 HydrophobicContact CB-CB 3.99Å
297	Q	92.7	Very high	93.2	Very high	86 Å²	86	53.8 Å²	53.8	40%	0.402	31%	0.309	S	S	.	.			trans	-85.9	67.2	177.3	-67.4	177.4	-14.3	0	0	110.8	I293 K294 I295 S299 A300 L301	I293-Q297 HydrophobicContact CG2-CB 3.94Å; K294-Q297 HydrophobicContact CB-CG 4.1Å; K294-Q297 WeakPolarHBondContact O-CB 3.37Å; K294-Q297 PolarHBondContact O-N 3.4Å; I295-Q297 VanDerWaalsContact C-N 3.31Å; I295-Q297 PolarHBondContact O-N 3.15Å; Q297-S299 VanDerWaalsContact C-N 3.3Å; Q297-S299 PolarHBondContact O-N 3.42Å; Q297-A300 HydrophobicContact CB-CB 4.05Å; Q297-A300 PolarHBondContact O-N 2.95Å; Q297-A300 VanDerWaalsContact O-N 3.12Å; Q297-L301 WeakPolarHBondContact O-CG 3.49Å; Q297-L301 PolarHBondContact O-N 3.46Å
298	V	93.4	Very high	92.9	Very high	25 Å²	25	53.9 Å²	53.9	15%	0.152	31%	0.307	C	S	.	.	H	α-helix	trans	-57	-38.7	-171.1	-172.7	0	0	0	0	113.3	N296 R302 L308	N296-V298 VanDerWaalsContact C-N 3.27Å; N296-V298 PolarHBondContact O-N 2.84Å; V298-R302 WeakPolarHBondContact O-CG 3.41Å; V298-R302 PolarHBondContact O-N 2.83Å; V298-R302 VanDerWaalsContact O-N 3.1Å; V298-L308 HydrophobicContact CG1-CD1 3.82Å
299	S	94.7	Very high	92.6	Very high	82 Å²	82	53.7 Å²	53.7	57%	0.573	31%	0.312	S	S	*	.	H	α-helix	trans	-62.7	-52.4	175.6	48	0	0	0	0	111.4	Q297 L301 R302 D303	Q297-S299 VanDerWaalsContact C-N 3.3Å; Q297-S299 PolarHBondContact O-N 3.42Å; S299-L301 VanDerWaalsContact C-N 3.27Å; S299-L301 PolarHBondContact O-N 3Å; S299-R302 PolarHBondContact O-N 2.86Å; S299-D303 WeakPolarHBondContact O-CB 3.41Å; S299-D303 PolarHBondContact O-N 3.09Å
300	A	94.9	Very high	92.4	Very high	30 Å²	30	56.2 Å²	56.2	25%	0.248	33%	0.325	C	S	.	.	H	α-helix	trans	-59.5	-37.3	178.9	0	0	0	0	0	112.4	I293 Q297 A304	I293-A300 HydrophobicContact CD1-CB 4.36Å; I293-A300 HydrophobicContact CG2-CB 3.71Å; Q297-A300 HydrophobicContact CB-CB 4.05Å; Q297-A300 PolarHBondContact O-N 2.95Å; Q297-A300 VanDerWaalsContact O-N 3.12Å; A300-A304 WeakPolarHBondContact O-CB 3.44Å; A300-A304 PolarHBondContact O-N 3Å
301	L	94.3	Very high	92.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-63.6	-43.7	174.6	-69.5	173.9	0	0	0	112.4	I293 I295 Q297 S299 G305 F306 L308 L311 V340	I293-L301 HydrophobicContact CB-CD2 3.85Å; I293-L301 HydrophobicContact CG2-CD2 3.67Å; I293-L301 HydrophobicContact CG2-CG 3.87Å; I295-L301 VanDerWaalsContact O-CD1 3.29Å; I295-L301 WeakPolarHBondContact O-CD1 3.36Å; Q297-L301 WeakPolarHBondContact O-CG 3.49Å; Q297-L301 PolarHBondContact O-N 3.46Å; S299-L301 VanDerWaalsContact C-N 3.27Å; S299-L301 PolarHBondContact O-N 3Å; L301-G305 PolarHBondContact O-N 3.48Å; L301-F306 HydrophobicContact CD2-CD2 3.82Å; L301-F306 HydrophobicContact CD2-CE2 4.39Å; L301-F306 WeakPolarHBondContact O-CB 3.25Å; L301-F306 PolarHBondContact O-N 3.09Å; L301-L308 HydrophobicContact CB-CD2 4.08Å; L301-L308 HydrophobicContact CD1-CD2 4.02Å; L301-L311 HydrophobicContact CD1-CD2 3.8Å; L301-L311 HydrophobicContact CD2-CD2 4.48Å; L301-V340 HydrophobicContact CD2-CB 3.65Å; L301-V340 HydrophobicContact CD2-CG1 3.96Å; L301-V340 HydrophobicContact CD2-CG2 3.85Å
302	R	92.1	Very high	92.5	Very high	147 Å²	147	50.3 Å²	50.3	56%	0.555	29%	0.293	S	S	*	.	H	α-helix	trans	-66.9	-44	177	-72.3	177.6	-176.9	167.8	5.3	111.4	V298 S299 A304 G305 L308	V298-R302 WeakPolarHBondContact O-CG 3.41Å; V298-R302 PolarHBondContact O-N 2.83Å; V298-R302 VanDerWaalsContact O-N 3.1Å; S299-R302 PolarHBondContact O-N 2.86Å; R302-A304 VanDerWaalsContact C-N 3.28Å; R302-A304 PolarHBondContact O-N 2.87Å; R302-G305 WeakPolarHBondContact O-CA 3.49Å; R302-G305 PolarHBondContact O-N 3.49Å; R302-L308 HydrophobicContact CG-CD1 4.21Å
303	D	93.9	Very high	92.5	Very high	138 Å²	138	50.1 Å²	50.1	74%	0.738	29%	0.286	S	S	*	.	H	α-helix	trans	-64	-35.6	178.7	-63.8	-20.8	0	0	0	111.4	S299 G305	S299-D303 WeakPolarHBondContact O-CB 3.41Å; S299-D303 PolarHBondContact O-N 3.09Å; D303-G305 PolarHBondContact O-N 2.74Å
304	A	92.3	Very high	92.3	Very high	37 Å²	37	49 Å²	49	31%	0.306	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-4.9	172	0	0	0	0	0	113.7	I293 A300 R302 F306 R342	I293-A304 HydrophobicContact CD1-CB 3.54Å; A300-A304 WeakPolarHBondContact O-CB 3.44Å; A300-A304 PolarHBondContact O-N 3Å; R302-A304 VanDerWaalsContact C-N 3.28Å; R302-A304 PolarHBondContact O-N 2.87Å; A304-F306 HydrophobicContact CB-CD2 3.79Å; A304-F306 HydrophobicContact CB-CE2 3.79Å; A304-R342 PolarHBondContact O-NH2 2.92Å
305	G	90.2	Very high	92.3	Very high	53 Å²	53	44.4 Å²	44.4	55%	0.546	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.4	24	177.2	0	0	0	0	0	114.7	L301 R302 D303	L301-G305 PolarHBondContact O-N 3.48Å; R302-G305 WeakPolarHBondContact O-CA 3.49Å; R302-G305 PolarHBondContact O-N 3.49Å; D303-G305 PolarHBondContact O-N 2.74Å
306	F	91.5	Very high	92.2	Very high	20 Å²	20	44.4 Å²	44.4	9%	0.088	26%	0.26	C	S	.	.			trans	-81.1	137	175.6	-66.3	-58.9	0	0	0	111.9	I293 L301 A304 L308 V340 R342 I406	I293-F306 HydrophobicContact CD1-CE2 4.08Å; L301-F306 HydrophobicContact CD2-CD2 3.82Å; L301-F306 HydrophobicContact CD2-CE2 4.39Å; L301-F306 WeakPolarHBondContact O-CB 3.25Å; L301-F306 PolarHBondContact O-N 3.09Å; A304-F306 HydrophobicContact CB-CD2 3.79Å; A304-F306 HydrophobicContact CB-CE2 3.79Å; F306-L308 PolarHBondContact O-N 3.09Å; F306-V340 HydrophobicContact CD1-CG1 4.46Å; F306-V340 HydrophobicContact CD2-CG1 4.08Å; F306-V340 HydrophobicContact CE1-CG1 4.36Å; F306-V340 HydrophobicContact CE2-CG1 4Å; F306-V340 HydrophobicContact CG-CG1 4.3Å; F306-V340 HydrophobicContact CZ-CG1 4.14Å; F306-R342 HydrophobicContact CE1-CG 3.6Å; F306-R342 HydrophobicContact CZ-CG 3.76Å; F306-I406 HydrophobicContact CD1-CD1 4.39Å; F306-I406 HydrophobicContact CD1-CG1 3.71Å; F306-I406 HydrophobicContact CE1-CG1 4.22Å
307	S	90.9	Very high	92.2	Very high	53 Å²	53	43.1 Å²	43.1	37%	0.371	25%	0.249	S	C	.	.			trans	-78.2	111.4	170.9	174.9	0	0	0	0	110	A309 E310 L311	S307-A309 PolarHBondContact O-N 3.4Å; S307-E310 PolarHBondContact O-N 2.97Å; S307-E310 VanDerWaalsContact O-N 3.15Å; S307-E310 PolarHBondContact OG-N 2.77Å; S307-L311 PolarHBondContact O-N 3.22Å
308	L	92.3	Very high	92.2	Very high	18 Å²	18	39 Å²	39	9%	0.094	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-32.1	177.1	-61.5	179.8	0	0	0	112.2	V298 L301 R302 F306 L311 D312 H524 P527	V298-L308 HydrophobicContact CG1-CD1 3.82Å; L301-L308 HydrophobicContact CB-CD2 4.08Å; L301-L308 HydrophobicContact CD1-CD2 4.02Å; R302-L308 HydrophobicContact CG-CD1 4.21Å; F306-L308 PolarHBondContact O-N 3.09Å; L308-L311 HydrophobicContact CD2-CD2 4.37Å; L308-L311 PolarHBondContact O-N 3.17Å; L308-D312 WeakPolarHBondContact O-CB 3.29Å; L308-D312 VanDerWaalsContact O-CG 3.32Å; L308-D312 PolarHBondContact O-N 2.99Å; L308-H524 HydrophobicContact CB-CB 4.23Å; L308-H524 HydrophobicContact CD1-CB 4.12Å; L308-P527 HydrophobicContact CB-CG 4.46Å
309	A	89.8	Confident	92.1	Very high	34 Å²	34	37.8 Å²	37.8	28%	0.281	22%	0.223	S	C	.	.	H	α-helix	trans	-66.3	-40.3	175.9	0	0	0	0	0	112.6	S307 S313 P527 I528	S307-A309 PolarHBondContact O-N 3.4Å; A309-S313 WeakPolarHBondContact O-CB 3.26Å; A309-S313 PolarHBondContact O-N 3.45Å; A309-S313 VanDerWaalsContact O-N 3.1Å; A309-P527 HydrophobicContact CB-CB 3.99Å; A309-P527 HydrophobicContact CB-CG 4.25Å; A309-I528 HydrophobicContact CB-CG2 3.84Å
310	E	90.4	Very high	91.9	Very high	85 Å²	85	33.9 Å²	33.9	40%	0.397	20%	0.196	S	C	.	.	H	α-helix	trans	-69.8	-40.7	175.3	-69.7	-170.7	177.3	0	0	111.4	S307 S313 L314 T404 I406	S307-E310 PolarHBondContact O-N 2.97Å; S307-E310 VanDerWaalsContact O-N 3.15Å; S307-E310 PolarHBondContact OG-N 2.77Å; E310-S313 PolarHBondContact O-N 3.22Å; E310-L314 WeakPolarHBondContact O-CB 3.32Å; E310-L314 PolarHBondContact O-N 3.42Å; E310-T404 WeakPolarHBondContact OE2-CB 3.49Å; E310-T404 PolarHBondContact OE2-OG1 3.35Å; E310-I406 HydrophobicContact CB-CD1 3.76Å
311	L	93.2	Very high	91.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.3	-49.4	176.6	176.4	59	0	0	0	111.7	I295 L301 S307 L308 S313 L314 L315 V340 I406 L408	I295-L311 HydrophobicContact CD1-CD1 4.32Å; I295-L311 HydrophobicContact CD1-CD2 4.49Å; I295-L311 HydrophobicContact CD1-CG 4.41Å; I295-L311 HydrophobicContact CG1-CD2 4.11Å; L301-L311 HydrophobicContact CD1-CD2 3.8Å; L301-L311 HydrophobicContact CD2-CD2 4.48Å; S307-L311 PolarHBondContact O-N 3.22Å; L308-L311 HydrophobicContact CD2-CD2 4.37Å; L308-L311 PolarHBondContact O-N 3.17Å; L311-S313 VanDerWaalsContact C-N 3.29Å; L311-S313 PolarHBondContact O-N 3Å; L311-L314 WeakPolarHBondContact O-CB 3.34Å; L311-L314 PolarHBondContact O-N 3.03Å; L311-L315 WeakPolarHBondContact O-CB 3.42Å; L311-L315 PolarHBondContact O-N 2.85Å; L311-V340 HydrophobicContact CD1-CG1 4.13Å; L311-V340 HydrophobicContact CD1-CG2 3.65Å; L311-V340 HydrophobicContact CD2-CG2 3.87Å; L311-V340 HydrophobicContact CG-CG2 4.42Å; L311-I406 HydrophobicContact CB-CD1 4.22Å; L311-I406 HydrophobicContact CD1-CG2 4.11Å; L311-L408 HydrophobicContact CD1-CD1 4.29Å
312	D	92.3	Very high	91.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.7	-38.1	177.3	-75.4	-20.3	0	0	0	111.4	L308 L314 L315 I316 H524 P527 I528	L308-D312 WeakPolarHBondContact O-CB 3.29Å; L308-D312 VanDerWaalsContact O-CG 3.32Å; L308-D312 PolarHBondContact O-N 2.99Å; D312-L314 VanDerWaalsContact C-N 3.34Å; D312-L314 PolarHBondContact O-N 2.97Å; D312-L315 PolarHBondContact O-N 3.24Å; D312-I316 WeakPolarHBondContact O-CB 3.44Å; D312-I316 WeakPolarHBondContact O-CG1 3.44Å; D312-I316 PolarHBondContact O-N 2.97Å; D312-H524 IonicContact OD1-CE1 2.66Å; D312-H524 PolarHBondContact OD1-CE1 3.25Å; D312-H524 IonicContact OD1-CG 2.76Å; D312-H524 IonicContact OD1-ND1 3.41Å; D312-H524 PolarHBondContact OD1-ND1 2.95Å; D312-H524 IonicContact OD2-CG 3.23Å; D312-H524 IonicContact OD2-ND1 3.62Å; D312-P527 VanDerWaalsContact OD2-CD 3.26Å; D312-P527 WeakPolarHBondContact OD2-CD 3.22Å; D312-P527 VanDerWaalsContact OD2-CG 3.26Å; D312-P527 WeakPolarHBondContact OD2-CG 3.4Å; D312-I528 VanDerWaalsContact C-CD1 3.46Å; D312-I528 HydrophobicContact CB-CD1 3.39Å; D312-I528 HydrophobicContact CB-CG1 3.8Å
313	S	91.5	Very high	91.4	Very high	31 Å²	31	26.4 Å²	26.4	22%	0.217	16%	0.162	C	C	.	.	H	α-helix	trans	-63.2	-42.9	176.4	-177.1	0	0	0	0	111.3	A309 E310 L311 R317	A309-S313 WeakPolarHBondContact O-CB 3.26Å; A309-S313 PolarHBondContact O-N 3.45Å; A309-S313 VanDerWaalsContact O-N 3.1Å; E310-S313 PolarHBondContact O-N 3.22Å; L311-S313 VanDerWaalsContact C-N 3.29Å; L311-S313 PolarHBondContact O-N 3Å; S313-R317 WeakPolarHBondContact O-CB 3.49Å; S313-R317 WeakPolarHBondContact O-CD 3.47Å; S313-R317 WeakPolarHBondContact O-CG 3.19Å; S313-R317 PolarHBondContact O-N 2.77Å
314	L	91.6	Very high	91.2	Very high	14 Å²	14	19.8 Å²	19.8	7%	0.073	13%	0.127	C	C	.	.	H	α-helix	trans	-65.7	-43.5	175.9	178.6	60.6	0	0	0	112.1	S269 V270 E310 L311 D312 R317 A318 I406 L408	S269-L314 WeakPolarHBondContact O-CD2 3.49Å; V270-L314 HydrophobicContact CG2-CD1 3.86Å; V270-L314 HydrophobicContact CG2-CG 4.48Å; E310-L314 WeakPolarHBondContact O-CB 3.32Å; E310-L314 PolarHBondContact O-N 3.42Å; L311-L314 WeakPolarHBondContact O-CB 3.34Å; L311-L314 PolarHBondContact O-N 3.03Å; D312-L314 VanDerWaalsContact C-N 3.34Å; D312-L314 PolarHBondContact O-N 2.97Å; L314-R317 PolarHBondContact O-N 3.15Å; L314-A318 WeakPolarHBondContact O-CB 3.42Å; L314-A318 PolarHBondContact O-N 3.35Å; L314-I406 HydrophobicContact CD2-CG2 4.08Å; L314-L408 HydrophobicContact CD2-CB 3.65Å; L314-L408 HydrophobicContact CG-CB 4.06Å; L314-L408 HydrophobicContact CG-CD2 4.35Å
315	L	93.2	Very high	91	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-56.8	-53.7	175.6	-179.7	74	0	0	0	111.2	I295 L311 D312 R317 A318 F319 L338 L408 I520	I295-L315 HydrophobicContact CD1-CD1 3.96Å; I295-L315 HydrophobicContact CD1-CD2 4.17Å; L311-L315 WeakPolarHBondContact O-CB 3.42Å; L311-L315 PolarHBondContact O-N 2.85Å; D312-L315 PolarHBondContact O-N 3.24Å; L315-R317 VanDerWaalsContact C-N 3.29Å; L315-R317 PolarHBondContact O-N 2.89Å; L315-A318 PolarHBondContact O-N 3.38Å; L315-F319 HydrophobicContact CD1-CD2 3.68Å; L315-F319 HydrophobicContact CD1-CE2 3.46Å; L315-F319 VanDerWaalsContact CD1-CE2 3.46Å; L315-F319 HydrophobicContact CG-CD2 4.15Å; L315-F319 HydrophobicContact CG-CE2 4.4Å; L315-F319 WeakPolarHBondContact O-CD2 3.48Å; L315-F319 PolarHBondContact O-N 3.12Å; L315-L338 HydrophobicContact CD1-CD1 3.76Å; L315-L408 HydrophobicContact CB-CD2 4.43Å; L315-L408 HydrophobicContact CD1-CD2 4.1Å; L315-I520 HydrophobicContact CD2-CB 3.99Å; L315-I520 HydrophobicContact CD2-CD1 4.07Å; L315-I520 HydrophobicContact CD2-CG2 3.7Å
316	I	91.2	Very high	90.9	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.8	-38.9	-179.7	-69.1	179.4	0	0	0	111.1	D312 G320 I517 I528 R530 L533 M534	D312-I316 WeakPolarHBondContact O-CB 3.44Å; D312-I316 WeakPolarHBondContact O-CG1 3.44Å; D312-I316 PolarHBondContact O-N 2.97Å; I316-G320 VanDerWaalsContact O-CA 3.27Å; I316-G320 WeakPolarHBondContact O-CA 3.4Å; I316-G320 PolarHBondContact O-N 3.4Å; I316-I517 HydrophobicContact CD1-CG2 4.29Å; I316-I517 HydrophobicContact CG1-CG2 3.59Å; I316-I528 HydrophobicContact CD1-CD1 3.6Å; I316-I528 HydrophobicContact CD1-CG1 4.37Å; I316-R530 HydrophobicContact CD1-CB 3.43Å; I316-R530 VanDerWaalsContact CD1-CB 3.43Å; I316-L533 HydrophobicContact CB-CB 4.41Å; I316-L533 HydrophobicContact CB-CD1 4.27Å; I316-L533 HydrophobicContact CD1-CD1 4.3Å; I316-L533 HydrophobicContact CG2-CB 3.49Å; I316-L533 VanDerWaalsContact CG2-CB 3.49Å; I316-L533 HydrophobicContact CG2-CD1 4.21Å; I316-M534 HydrophobicContact CB-CE 4.37Å; I316-M534 HydrophobicContact CG2-CE 3.53Å; I316-M534 HydrophobicContact CG2-CG 4.12Å; I316-M534 WeakPolarHBondContact O-CE 3.44Å
317	R	90.4	Very high	90.8	Very high	52 Å²	52	15.1 Å²	15.1	20%	0.196	9%	0.085	C	C	.	.	H	α-helix	trans	-67.6	-41.2	176	-73.2	169.8	66.2	164.9	6.6	112	S313 L314 L315 H321 N398	S313-R317 WeakPolarHBondContact O-CB 3.49Å; S313-R317 WeakPolarHBondContact O-CD 3.47Å; S313-R317 WeakPolarHBondContact O-CG 3.19Å; S313-R317 PolarHBondContact O-N 2.77Å; L314-R317 PolarHBondContact O-N 3.15Å; L315-R317 VanDerWaalsContact C-N 3.29Å; L315-R317 PolarHBondContact O-N 2.89Å; R317-H321 WeakPolarHBondContact O-CB 3.27Å; R317-H321 PolarHBondContact O-N 3.08Å; R317-N398 PolarHBondContact NH1-O 2.79Å
318	A	91.4	Very high	90.8	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.8	-52.3	179.3	0	0	0	0	0	111.6	L261 V270 L314 L315 H321 Q322 L408	L261-A318 HydrophobicContact CD1-CB 4Å; V270-A318 HydrophobicContact CG2-CB 4Å; L314-A318 WeakPolarHBondContact O-CB 3.42Å; L314-A318 PolarHBondContact O-N 3.35Å; L315-A318 PolarHBondContact O-N 3.38Å; A318-H321 PolarHBondContact O-N 2.74Å; A318-Q322 PolarHBondContact O-N 2.99Å; A318-L408 HydrophobicContact CB-CD2 4.26Å
319	F	92.1	Very high	90.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-75.1	-36	179.6	-75	-73.5	0	0	0	112.9	L315 H321 Q322 V323 H330 P333 L338 L410 N513 L516 I517	L315-F319 HydrophobicContact CD1-CD2 3.68Å; L315-F319 HydrophobicContact CD1-CE2 3.46Å; L315-F319 VanDerWaalsContact CD1-CE2 3.46Å; L315-F319 HydrophobicContact CG-CD2 4.15Å; L315-F319 HydrophobicContact CG-CE2 4.4Å; L315-F319 WeakPolarHBondContact O-CD2 3.48Å; L315-F319 PolarHBondContact O-N 3.12Å; F319-H321 VanDerWaalsContact C-N 3.26Å; F319-H321 PolarHBondContact O-N 3.1Å; F319-Q322 WeakPolarHBondContact O-CB 3.41Å; F319-Q322 PolarHBondContact O-N 2.87Å; F319-V323 WeakPolarHBondContact O-CG2 3.49Å; F319-V323 PolarHBondContact O-N 2.79Å; F319-H330 HydrophobicContact CE1-CB 4.04Å; F319-P333 HydrophobicContact CE1-CB 3.68Å; F319-P333 HydrophobicContact CE1-CG 3.73Å; F319-P333 HydrophobicContact CZ-CB 3.6Å; F319-P333 HydrophobicContact CZ-CG 4.08Å; F319-L338 HydrophobicContact CE2-CD1 4.18Å; F319-L338 HydrophobicContact CE2-CD2 4.12Å; F319-L338 HydrophobicContact CZ-CD1 4.47Å; F319-L338 HydrophobicContact CZ-CD2 4.08Å; F319-L410 HydrophobicContact CE2-CD2 4.49Å; F319-N513 WeakPolarHBondContact CD1-ND2 3.16Å; F319-N513 WeakPolarHBondContact CE1-ND2 3.42Å; F319-L516 HydrophobicContact CZ-CD2 4.48Å; F319-I517 HydrophobicContact CB-CD1 3.49Å; F319-I517 VanDerWaalsContact CB-CD1 3.49Å; F319-I517 HydrophobicContact CB-CG1 4.18Å; F319-I517 HydrophobicContact CD2-CG1 4.31Å; F319-I517 HydrophobicContact CG-CD1 4.18Å; F319-I517 HydrophobicContact CG-CG1 4.36Å
320	G	90.3	Very high	90.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.5	-35.5	171.8	0	0	0	0	0	112.4	I316 F324	I316-G320 VanDerWaalsContact O-CA 3.27Å; I316-G320 WeakPolarHBondContact O-CA 3.4Å; I316-G320 PolarHBondContact O-N 3.4Å; G320-F324 WeakPolarHBondContact O-CB 3.44Å; G320-F324 VanDerWaalsContact O-CD2 3.28Å; G320-F324 WeakPolarHBondContact O-CD2 3.3Å; G320-F324 PolarHBondContact O-N 3.37Å
321	H	89.5	Confident	89.8	Confident	17 Å²	17	7.3 Å²	7.3	8%	0.079	4%	0.037	C	C	.	.	I	π-helix	trans	-66.5	-43.7	173.5	-163.3	-92	0	0	0	111.7	D257 L258 R317 A318 F319 V323 C325 T326	D257-H321 PolarHBondContact O-CE1 3.24Å; D257-H321 VanDerWaalsContact O-CE1 3.25Å; D257-H321 PolarHBondContact O-ND1 3.32Å; L258-H321 HydrophobicContact CD2-CB 3.99Å; R317-H321 WeakPolarHBondContact O-CB 3.27Å; R317-H321 PolarHBondContact O-N 3.08Å; A318-H321 PolarHBondContact O-N 2.74Å; F319-H321 VanDerWaalsContact C-N 3.26Å; F319-H321 PolarHBondContact O-N 3.1Å; H321-V323 PolarHBondContact O-N 3Å; H321-C325 VanDerWaalsContact CD2-SG 3.57Å; H321-C325 WeakPolarHBondContact O-CA 3.26Å; H321-C325 WeakPolarHBondContact O-CB 3.4Å; H321-C325 PolarHBondContact O-N 2.89Å; H321-T326 WeakPolarHBondContact ND1-CG2 3.5Å; H321-T326 PolarHBondContact O-N 3Å
322	Q	91.1	Very high	88.8	Confident	2 Å²	2	8.7 Å²	8.7	1%	0.009	4%	0.044	C	C	.	.	I	π-helix	trans	-57.7	-47.6	174.7	-72.2	179.5	51.1	0	0	112	L258 A318 F319 T326 G327 F328 H330	L258-Q322 HydrophobicContact CD1-CG 4.43Å; L258-Q322 HydrophobicContact CD2-CG 4.05Å; L258-Q322 HydrophobicContact CG-CG 4.49Å; A318-Q322 PolarHBondContact O-N 2.99Å; F319-Q322 WeakPolarHBondContact O-CB 3.41Å; F319-Q322 PolarHBondContact O-N 2.87Å; Q322-T326 WeakPolarHBondContact CA-OG1 3.21Å; Q322-T326 PolarHBondContact O-OG1 3.28Å; Q322-T326 VanDerWaalsContact O-OG1 3.11Å; Q322-G327 CarbonylContact O-C 3.5Å; Q322-G327 VanDerWaalsContact O-CA 3.29Å; Q322-G327 WeakPolarHBondContact O-CA 3.12Å; Q322-G327 PolarHBondContact O-N 3.22Å; Q322-F328 VanDerWaalsContact CB-O 3.31Å; Q322-F328 WeakPolarHBondContact CB-O 3.48Å; Q322-F328 PolarHBondContact O-N 3.2Å; Q322-H330 VanDerWaalsContact OE1-CB 3.27Å; Q322-H330 VanDerWaalsContact OE1-N 3.09Å
323	V	89.3	Confident	87.6	Confident	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.	I	π-helix	trans	-68.7	-59.3	-179.8	173.2	0	0	0	0	112	F319 H321 V329 R424 L427 F510	F319-V323 WeakPolarHBondContact O-CG2 3.49Å; F319-V323 PolarHBondContact O-N 2.79Å; H321-V323 PolarHBondContact O-N 3Å; V323-V329 HydrophobicContact CB-CG2 4.47Å; V323-V329 HydrophobicContact CG2-CG1 4.07Å; V323-V329 HydrophobicContact CG2-CG2 4.06Å; V323-R424 WeakPolarHBondContact O-CD 3.12Å; V323-R424 WeakPolarHBondContact O-CG 3.42Å; V323-L427 HydrophobicContact CG1-CD2 3.82Å; V323-F510 HydrophobicContact CB-CD2 4.13Å; V323-F510 HydrophobicContact CB-CE2 4.17Å; V323-F510 HydrophobicContact CG1-CD2 3.37Å; V323-F510 HydrophobicContact CG1-CE2 3.29Å; V323-F510 HydrophobicContact CG1-CG 4.34Å; V323-F510 HydrophobicContact CG1-CZ 4.2Å; V323-F510 HydrophobicContact CG2-CD2 3.58Å; V323-F510 HydrophobicContact CG2-CE2 3.91Å
324	F	90	Very high	86.8	Confident	0 Å²	0	11.6 Å²	11.6	0%	0	5%	0.054	C	C	.	.	I	π-helix	trans	-89.4	-29.6	-165	-63.5	-66.5	0	0	0	112.8	G320 R424 L427 Y431 F510 M534 S537 A538 G541	G320-F324 WeakPolarHBondContact O-CB 3.44Å; G320-F324 VanDerWaalsContact O-CD2 3.28Å; G320-F324 WeakPolarHBondContact O-CD2 3.3Å; G320-F324 PolarHBondContact O-N 3.37Å; F324-R424 WeakPolarHBondContact O-CD 3.46Å; F324-R424 PolarHBondContact O-NH1 3.27Å; F324-L427 HydrophobicContact CE1-CD2 4.29Å; F324-L427 HydrophobicContact CE1-CG 4.12Å; F324-Y431 AromaticContact CE1-CD2 3.62Å; F324-Y431 HydrophobicContact CE1-CD2 3.62Å; F324-Y431 AromaticContact CE1-CE2 3.93Å; F324-Y431 HydrophobicContact CE1-CE2 3.93Å; F324-Y431 AromaticContact CE1-CG 3.93Å; F324-Y431 HydrophobicContact CE1-CG 3.93Å; F324-Y431 HydrophobicContact CZ-CD1 4.01Å; F324-Y431 AromaticContact CZ-CD2 3.71Å; F324-Y431 HydrophobicContact CZ-CD2 3.71Å; F324-Y431 AromaticContact CZ-CE1 3.98Å; F324-Y431 HydrophobicContact CZ-CE1 3.98Å; F324-Y431 AromaticContact CZ-CE2 3.67Å; F324-Y431 HydrophobicContact CZ-CE2 3.67Å; F324-Y431 AromaticContact CZ-CG 3.87Å; F324-Y431 HydrophobicContact CZ-CG 3.87Å; F324-Y431 AromaticContact CZ-CZ 3.81Å; F324-F510 HydrophobicContact CZ-CZ 4.44Å; F324-M534 HydrophobicContact CE2-CB 4.28Å; F324-M534 WeakPolarHBondContact CE2-O 3.45Å; F324-M534 HydrophobicContact CE2-SD 3.71Å; F324-M534 HydrophobicContact CZ-SD 4.4Å; F324-S537 WeakPolarHBondContact CB-O 3.4Å; F324-A538 HydrophobicContact CD1-CB 3.85Å; F324-A538 HydrophobicContact CD2-CB 4.4Å; F324-A538 HydrophobicContact CE1-CB 3.96Å; F324-A538 HydrophobicContact CG-CB 4.07Å; F324-A538 HydrophobicContact CZ-CB 4.3Å; F324-G541 WeakPolarHBondContact O-CA 3.48Å
325	C	88.4	Confident	86.3	Confident	0 Å²	0	12 Å²	12	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	-95.8	-55.6	-174.9	-57.6	0	0	0	0	111.3	H321 R424 I544 L552	H321-C325 VanDerWaalsContact CD2-SG 3.57Å; H321-C325 WeakPolarHBondContact O-CA 3.26Å; H321-C325 WeakPolarHBondContact O-CB 3.4Å; H321-C325 PolarHBondContact O-N 2.89Å; C325-R424 PolarHBondContact O-NE 3.42Å; C325-R424 PolarHBondContact O-NH1 3.08Å; C325-I544 HydrophobicContact CB-CD1 3.54Å; C325-I544 WeakPolarHBondContact O-CG2 3.49Å; C325-L552 WeakPolarHBondContact O-CD2 3.36Å
326	T	88.6	Confident	85.7	Confident	11 Å²	11	12.8 Å²	12.8	7%	0.067	7%	0.066	C	C	.	.	I	π-helix	trans	-88.8	-37.6	-172.6	78	0	0	0	0	112	D257 H321 Q322 F328 L552	D257-T326 HydrophobicContact CB-CG2 3.85Å; H321-T326 WeakPolarHBondContact ND1-CG2 3.5Å; H321-T326 PolarHBondContact O-N 3Å; Q322-T326 WeakPolarHBondContact CA-OG1 3.21Å; Q322-T326 PolarHBondContact O-OG1 3.28Å; Q322-T326 VanDerWaalsContact O-OG1 3.11Å; T326-F328 PolarHBondContact O-N 3.35Å; T326-F328 PolarHBondContact OG1-N 3.42Å; T326-F328 VanDerWaalsContact OG1-N 3.11Å; T326-L552 HydrophobicContact CG2-CD1 3.52Å
327	G	89.1	Confident	85.6	Confident	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.075	C	C	.	.			trans	79.2	-4.4	-170.4	0	0	0	0	0	112.9	Q322 V329 T418 L419	Q322-G327 CarbonylContact O-C 3.5Å; Q322-G327 VanDerWaalsContact O-CA 3.29Å; Q322-G327 WeakPolarHBondContact O-CA 3.12Å; Q322-G327 PolarHBondContact O-N 3.22Å; G327-V329 PolarHBondContact O-N 2.67Å; G327-T418 CarbonylContact O-C 3.5Å; G327-T418 VanDerWaalsContact O-CA 3.32Å; G327-T418 WeakPolarHBondContact O-CA 3.41Å; G327-L419 PolarHBondContact O-N 3.35Å
328	F	91.1	Very high	85.7	Confident	20 Å²	20	12.1 Å²	12.1	9%	0.088	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	95.3	175.8	-173	-117.9	0	0	0	108.6	N250 Q253 C254 D257 Q322 T326 Y416	N250-F328 HydrophobicContact CB-CZ 4.12Å; N250-F328 WeakPolarHBondContact OD1-CZ 3.47Å; Q253-F328 HydrophobicContact CB-CD1 4.41Å; Q253-F328 HydrophobicContact CB-CE1 3.81Å; Q253-F328 HydrophobicContact CB-CZ 4.09Å; Q253-F328 HydrophobicContact CG-CD1 3.78Å; Q253-F328 HydrophobicContact CG-CD2 4.49Å; Q253-F328 HydrophobicContact CG-CE1 3.63Å; Q253-F328 HydrophobicContact CG-CE2 4.36Å; Q253-F328 HydrophobicContact CG-CG 4.21Å; Q253-F328 HydrophobicContact CG-CZ 3.94Å; C254-F328 HydrophobicContact CB-CE1 4.37Å; D257-F328 WeakPolarHBondContact OD2-CB 3.16Å; Q322-F328 VanDerWaalsContact CB-O 3.31Å; Q322-F328 WeakPolarHBondContact CB-O 3.48Å; Q322-F328 PolarHBondContact O-N 3.2Å; T326-F328 PolarHBondContact O-N 3.35Å; T326-F328 PolarHBondContact OG1-N 3.42Å; T326-F328 VanDerWaalsContact OG1-N 3.11Å; F328-Y416 AromaticContact CD1-CD1 3.41Å; F328-Y416 HydrophobicContact CD1-CD1 3.41Å; F328-Y416 VanDerWaalsContact CD1-CD1 3.41Å; F328-Y416 AromaticContact CD1-CE1 3.75Å; F328-Y416 HydrophobicContact CD1-CE1 3.75Å; F328-Y416 HydrophobicContact CD1-CG 4.32Å; F328-Y416 HydrophobicContact CD2-CD1 4.18Å; F328-Y416 AromaticContact CE1-CD1 3.11Å; F328-Y416 HydrophobicContact CE1-CD1 3.11Å; F328-Y416 HydrophobicContact CE1-CD2 4.45Å; F328-Y416 AromaticContact CE1-CE1 3.54Å; F328-Y416 HydrophobicContact CE1-CE1 3.54Å; F328-Y416 AromaticContact CE1-CG 3.64Å; F328-Y416 HydrophobicContact CE1-CG 3.64Å; F328-Y416 VanDerWaalsContact CE2-CB 3.5Å; F328-Y416 AromaticContact CE2-CD1 3.95Å; F328-Y416 HydrophobicContact CE2-CD1 3.95Å; F328-Y416 HydrophobicContact CE2-CG 4.02Å; F328-Y416 AromaticContact CG-CD1 3.95Å; F328-Y416 HydrophobicContact CG-CD1 3.95Å; F328-Y416 AromaticContact CZ-CD1 3.41Å; F328-Y416 HydrophobicContact CZ-CD1 3.41Å; F328-Y416 VanDerWaalsContact CZ-CD1 3.41Å; F328-Y416 HydrophobicContact CZ-CD2 4.35Å; F328-Y416 HydrophobicContact CZ-CE1 4.25Å; F328-Y416 AromaticContact CZ-CG 3.46Å; F328-Y416 HydrophobicContact CZ-CG 3.46Å; F328-Y416 VanDerWaalsContact CZ-CG 3.46Å
329	V	89.4	Confident	85.8	Confident	4 Å²	4	12.9 Å²	12.9	2%	0.024	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.8	-166.3	-176.1	0	0	0	0	110.3	V323 G327 A331 Y416 D417 N513	V323-V329 HydrophobicContact CB-CG2 4.47Å; V323-V329 HydrophobicContact CG2-CG1 4.07Å; V323-V329 HydrophobicContact CG2-CG2 4.06Å; G327-V329 PolarHBondContact O-N 2.67Å; V329-A331 PolarHBondContact O-N 3.32Å; V329-Y416 WeakPolarHBondContact O-CA 3.31Å; V329-D417 PolarHBondContact N-O 2.98Å; V329-D417 PolarHBondContact O-N 3.11Å; V329-D417 VanDerWaalsContact O-N 3.09Å; V329-N513 HydrophobicContact CG1-CB 4.19Å
330	H	88.7	Confident	86	Confident	3 Å²	3	12.9 Å²	12.9	1%	0.014	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	119	167.4	-170.5	-4.9	0	0	0	110	F319 Q322 D332 P333 D412 L415 Y416 N513	F319-H330 HydrophobicContact CE1-CB 4.04Å; Q322-H330 VanDerWaalsContact OE1-CB 3.27Å; Q322-H330 VanDerWaalsContact OE1-N 3.09Å; H330-D332 VanDerWaalsContact CE1-C 3.42Å; H330-D332 PolarHBondContact CE1-O 3.3Å; H330-P333 WeakPolarHBondContact O-CD 3.35Å; H330-D412 PolarHBondContact CE1-O 2.99Å; H330-D412 PolarHBondContact NE2-O 2.92Å; H330-D412 VanDerWaalsContact NE2-O 3.14Å; H330-L415 PolarHBondContact ND1-O 3.04Å; H330-Y416 HydrophobicContact CB-CD1 4.22Å; H330-Y416 HydrophobicContact CB-CE1 3.64Å; H330-Y416 HydrophobicContact CB-CE2 4.07Å; H330-Y416 AromaticContact CG-CE2 3.84Å; H330-Y416 AromaticContact CG-CZ 3.72Å; H330-Y416 AromaticContact ND1-CE2 3.98Å; H330-N513 PolarHBondContact O-ND2 2.85Å
331	A	74.3	Confident	86.2	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-97.7	-18.4	-165.2	0	0	0	0	0	114.4	V329 P333 L415 L509 R512	V329-A331 PolarHBondContact O-N 3.32Å; A331-P333 VanDerWaalsContact C-CD 3.47Å; A331-L415 HydrophobicContact CB-CB 4.29Å; A331-L415 HydrophobicContact CB-CD2 3.69Å; A331-L415 HydrophobicContact CB-CG 3.68Å; A331-L415 PolarHBondContact N-O 3.45Å; A331-L509 HydrophobicContact CB-CB 3.81Å; A331-L509 HydrophobicContact CB-CD1 3.68Å; A331-L509 HydrophobicContact CB-CD2 3.82Å; A331-L509 HydrophobicContact CB-CG 3.94Å; A331-R512 VanDerWaalsContact O-CD 3.24Å; A331-R512 WeakPolarHBondContact O-CD 3.03Å
332	D	71.8	Confident	86.3	Confident	29 Å²	29	19.8 Å²	19.8	16%	0.155	10%	0.096	C	C	.	.			trans	-134.7	56.9	170.5	-164.9	8.4	0	0	0	113	H330 H334 L415 R512	H330-D332 VanDerWaalsContact CE1-C 3.42Å; H330-D332 PolarHBondContact CE1-O 3.3Å; D332-H334 PolarHBondContact O-N 3.32Å; D332-L415 HydrophobicContact CB-CB 4.35Å; D332-L415 HydrophobicContact CB-CD2 4.05Å; D332-R512 IonicContact OD1-CZ 3Å; D332-R512 IonicContact OD1-NE 3.67Å; D332-R512 PolarHBondContact OD1-NE 3.37Å; D332-R512 IonicContact OD1-NH1 3.49Å; D332-R512 IonicContact OD1-NH2 2.65Å; D332-R512 PolarHBondContact OD1-NH2 3.08Å; D332-R512 IonicContact OD2-CZ 3.34Å; D332-R512 IonicContact OD2-NH1 2.68Å; D332-R512 IonicContact OD2-NH2 3.87Å; D332-R512 PolarHBondContact OD2-NH2 2.83Å
333	P	66.3	Low	86.1	Confident	6 Å²	6	21.1 Å²	21.1	4%	0.039	10%	0.101	C	C	.	.			trans	-69.2	125.5	170.6	29	-28.1	0	0	0	107.1	F319 H330 A331 L516	F319-P333 HydrophobicContact CE1-CB 3.68Å; F319-P333 HydrophobicContact CE1-CG 3.73Å; F319-P333 HydrophobicContact CZ-CB 3.6Å; F319-P333 HydrophobicContact CZ-CG 4.08Å; H330-P333 WeakPolarHBondContact O-CD 3.35Å; A331-P333 VanDerWaalsContact C-CD 3.47Å; P333-L516 HydrophobicContact CB-CD2 3.34Å; P333-L516 HydrophobicContact CG-CB 4.48Å; P333-L516 HydrophobicContact CG-CD2 3.45Å; P333-L516 VanDerWaalsContact CG-CD2 3.45Å; P333-L516 VanDerWaalsContact O-CD1 3.29Å; P333-L516 WeakPolarHBondContact O-CD1 3.35Å; P333-L516 VanDerWaalsContact O-CD2 3.28Å; P333-L516 WeakPolarHBondContact O-CD2 3.37Å
334	H	74.8	Confident	85.4	Confident	86 Å²	86	24 Å²	24	40%	0.398	12%	0.12	S	C	.	.			trans	-108.9	145.9	173.5	-177	-99.8	0	0	0	108.3	D332 G336 N337	D332-H334 PolarHBondContact O-N 3.32Å; H334-G336 PolarHBondContact ND1-N 2.8Å; H334-G336 PolarHBondContact O-N 3.02Å; H334-N337 WeakPolarHBondContact O-CB 3.42Å; H334-N337 PolarHBondContact O-N 3.48Å
335	P	82.2	Confident	83.9	Confident	23 Å²	23	32.9 Å²	32.9	15%	0.149	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	-57.2	-28.4	179.6	-23.5	34.3	0	0	0	112.7	I295 N296 N337 L338 L516 I520	I295-P335 HydrophobicContact CG2-CB 3.88Å; I295-P335 WeakPolarHBondContact CG2-O 3.33Å; N296-P335 HydrophobicContact CB-CB 3.99Å; P335-N337 PolarHBondContact O-N 3.1Å; P335-L338 PolarHBondContact O-N 2.95Å; P335-L516 VanDerWaalsContact CD-CD1 3.43Å; P335-L516 HydrophobicContact CG-CD1 3.63Å; P335-I520 HydrophobicContact CB-CD1 4.43Å; P335-I520 HydrophobicContact CB-CG1 4.31Å; P335-I520 HydrophobicContact CG-CD1 4.4Å; P335-I520 HydrophobicContact CG-CG1 4.12Å
336	G	80.6	Confident	82.1	Confident	16 Å²	16	38.4 Å²	38.4	17%	0.165	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-66.2	-20.2	174.7	0	0	0	0	0	115.2	H334	H334-G336 PolarHBondContact ND1-N 2.8Å; H334-G336 PolarHBondContact O-N 3.02Å
337	N	87.5	Confident	79.9	Confident	35 Å²	35	46.7 Å²	46.7	19%	0.187	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-95.9	7.9	-179.5	-63.1	-16.4	0	0	0	112.4	H334 P335 L411 D412	H334-N337 WeakPolarHBondContact O-CB 3.42Å; H334-N337 PolarHBondContact O-N 3.48Å; P335-N337 PolarHBondContact O-N 3.1Å; N337-L411 HydrophobicContact CB-CB 4.24Å; N337-L411 WeakPolarHBondContact O-CA 3.22Å; N337-L411 VanDerWaalsContact O-CB 3.26Å; N337-L411 WeakPolarHBondContact O-CB 3.32Å; N337-L411 PolarHBondContact O-N 3.17Å; N337-D412 HydrophobicContact CB-CB 3.95Å; N337-D412 VanDerWaalsContact CG-CB 3.42Å; N337-D412 WeakPolarHBondContact ND2-CB 3.46Å; N337-D412 PolarHBondContact ND2-OD2 3.45Å
338	L	92.9	Very high	77.9	Confident	2 Å²	2	49.2 Å²	49.2	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	114.7	177.3	-62.8	173.3	0	0	0	108.7	I295 L315 F319 P335 L408 L410 L516 I520	I295-L338 HydrophobicContact CB-CB 3.93Å; I295-L338 HydrophobicContact CD1-CB 4.27Å; I295-L338 HydrophobicContact CD1-CD1 4.17Å; I295-L338 HydrophobicContact CG2-CB 3.81Å; I295-L338 HydrophobicContact CG2-CD1 4.18Å; I295-L338 PolarHBondContact N-O 2.97Å; L315-L338 HydrophobicContact CD1-CD1 3.76Å; F319-L338 HydrophobicContact CE2-CD1 4.18Å; F319-L338 HydrophobicContact CE2-CD2 4.12Å; F319-L338 HydrophobicContact CZ-CD1 4.47Å; F319-L338 HydrophobicContact CZ-CD2 4.08Å; P335-L338 PolarHBondContact O-N 2.95Å; L338-L408 HydrophobicContact CB-CD1 4.48Å; L338-L410 HydrophobicContact CD2-CD2 3.37Å; L338-L516 HydrophobicContact CD1-CD2 4.26Å; L338-I520 HydrophobicContact CD1-CD1 3.56Å
339	L	94.8	Very high	75.8	Confident	16 Å²	16	54 Å²	54	8%	0.084	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	149.5	176	-55.9	-179.7	0	0	0	110.9	I290 I293 K294 V409 L411	I290-L339 HydrophobicContact CB-CD1 4.13Å; I290-L339 HydrophobicContact CG2-CD1 3.82Å; I293-L339 CarbonylContact O-C 3.37Å; I293-L339 WeakPolarHBondContact O-CA 3.34Å; K294-L339 HydrophobicContact CB-CD2 4.39Å; K294-L339 HydrophobicContact CG-CD2 3.7Å; L339-V409 HydrophobicContact CB-CB 4.1Å; L339-V409 PolarHBondContact N-O 2.99Å; L339-V409 PolarHBondContact O-N 3.42Å; L339-L411 HydrophobicContact CD1-CD1 3.67Å; L339-L411 HydrophobicContact CD1-CG 4.46Å; L339-L411 HydrophobicContact CG-CD1 3.79Å; L339-L411 HydrophobicContact CG-CG 4.43Å
340	V	95.7	Very high	74	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	124.2	177.6	-172	0	0	0	0	108.2	G292 I293 I295 L301 F306 L311 I406	G292-V340 WeakPolarHBondContact CA-O 3.24Å; I293-V340 PolarHBondContact N-O 3.17Å; I293-V340 PolarHBondContact O-N 2.98Å; I295-V340 HydrophobicContact CB-CG2 4.47Å; I295-V340 HydrophobicContact CG1-CG2 4.3Å; L301-V340 HydrophobicContact CD2-CB 3.65Å; L301-V340 HydrophobicContact CD2-CG1 3.96Å; L301-V340 HydrophobicContact CD2-CG2 3.85Å; F306-V340 HydrophobicContact CD1-CG1 4.46Å; F306-V340 HydrophobicContact CD2-CG1 4.08Å; F306-V340 HydrophobicContact CE1-CG1 4.36Å; F306-V340 HydrophobicContact CE2-CG1 4Å; F306-V340 HydrophobicContact CG-CG1 4.3Å; F306-V340 HydrophobicContact CZ-CG1 4.14Å; L311-V340 HydrophobicContact CD1-CG1 4.13Å; L311-V340 HydrophobicContact CD1-CG2 3.65Å; L311-V340 HydrophobicContact CD2-CG2 3.87Å; L311-V340 HydrophobicContact CG-CG2 4.42Å; V340-I406 HydrophobicContact CG1-CG2 3.84Å
341	R	93.9	Very high	72.1	Confident	51 Å²	51	67.2 Å²	67.2	19%	0.192	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	168.6	172.8	69.1	-179.4	-175.7	-171.9	-3.7	110.7	H271 D291 Q407 V409	H271-R341 PolarHBondContact CD2-NH2 3.14Å; D291-R341 WeakPolarHBondContact O-CD 3.4Å; R341-Q407 HydrophobicContact CG-CB 4.19Å; R341-Q407 VanDerWaalsContact CZ-OE1 3.29Å; R341-Q407 PolarHBondContact N-O 3.32Å; R341-Q407 PolarHBondContact O-N 2.9Å; R341-V409 HydrophobicContact CG-CG2 4.15Å
342	R	90.9	Very high	70.9	Confident	111 Å²	111	70.9 Å²	70.9	42%	0.419	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	143.4	168.7	-69.4	-174.4	-175.2	-88.9	-4.6	109.3	A304 F306 E405	A304-R342 PolarHBondContact O-NH2 2.92Å; F306-R342 HydrophobicContact CE1-CG 3.6Å; F306-R342 HydrophobicContact CZ-CG 3.76Å; R342-E405 CarbonylContact C-O 3.56Å; R342-E405 VanDerWaalsContact CA-O 3.29Å; R342-E405 WeakPolarHBondContact CA-O 3.48Å; R342-E405 IonicContact CZ-OE2 3.42Å; R342-E405 IonicContact NH1-OE2 3.11Å; R342-E405 PolarHBondContact NH1-OE2 2.7Å
343	K	86.8	Confident	69.7	Low	30 Å²	30	76 Å²	76	13%	0.13	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-55.6	142	171	-71.4	173.5	176.2	167.4	0	110	N267 G268 S269 Q345 T404 E405 I406 Q407	N267-K343 WeakPolarHBondContact O-CD 3.48Å; N267-K343 WeakPolarHBondContact O-CE 3.47Å; G268-K343 WeakPolarHBondContact O-CE 3.14Å; S269-K343 PolarHBondContact OG-NZ 2.91Å; K343-Q345 PolarHBondContact O-N 3.17Å; K343-T404 WeakPolarHBondContact CD-O 3.23Å; K343-T404 WeakPolarHBondContact CE-O 3.3Å; K343-T404 PolarHBondContact NZ-O 2.89Å; K343-E405 PolarHBondContact N-O 3.03Å; K343-I406 VanDerWaalsContact CE-O 3.26Å; K343-I406 WeakPolarHBondContact CE-O 3.47Å; K343-Q407 HydrophobicContact CG-CB 3.9Å
344	P	75.8	Confident	69	Low	61 Å²	61	79.9 Å²	79.9	40%	0.396	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-53	122.8	168.8	-22.5	33	0	0	0	109.4	K266 N267 I346	K266-P344 WeakPolarHBondContact O-CD 3.41Å; N267-P344 PolarHBondContact OD1-O 3.48Å; N267-P344 VanDerWaalsContact OD1-O 3.12Å; P344-I346 PolarHBondContact O-N 3.42Å; P344-I346 VanDerWaalsContact O-N 3.12Å
345	Q	59	Low	67.6	Low	185 Å²	185	83.2 Å²	83.2	86%	0.864	40%	0.401	S	S	*	.			trans	-61.4	115.4	-164	-65.5	-173.1	5.5	0	0	113.1	K343	K343-Q345 PolarHBondContact O-N 3.17Å
346	I	49.6	Very low	65.9	Low	117 Å²	117	84.4 Å²	84.4	60%	0.6	41%	0.41	S	S	*	.			trans	-88	122.6	143.7	-61.4	175.6	0	0	0	105.5	P344 L348	P344-I346 PolarHBondContact O-N 3.42Å; P344-I346 VanDerWaalsContact O-N 3.12Å; I346-L348 PolarHBondContact O-N 3.31Å
347	K	42.2	Very low	64.3	Low	184 Å²	184	87.2 Å²	87.2	80%	0.8	43%	0.428	S	S	*	.			trans	-52.3	104.2	168.5	-79.7	-178.3	176.9	176.8	0	108.3	N349	K347-N349 PolarHBondContact O-N 3.04Å
348	L	48.7	Very low	62.2	Low	54 Å²	54	89.7 Å²	89.7	28%	0.283	44%	0.44	S	S	.	.			trans	-60.8	125.3	171.8	-73.4	165.3	0	0	0	107.5	I346 Q352	I346-L348 PolarHBondContact O-N 3.31Å; L348-Q352 HydrophobicContact CB-CB 4.27Å; L348-Q352 HydrophobicContact CD2-CB 3.94Å; L348-Q352 HydrophobicContact CD2-CG 4.48Å
349	N	46.4	Very low	59.9	Low	119 Å²	119	96.7 Å²	96.7	64%	0.636	47%	0.472	S	S	*	.			trans	-61.8	149	173.9	-78.9	-13.9	0	0	0	109.3	K347 F351 Q352 K353	K347-N349 PolarHBondContact O-N 3.04Å; N349-F351 PolarHBondContact O-N 2.66Å; N349-Q352 WeakPolarHBondContact O-CA 3.43Å; N349-Q352 WeakPolarHBondContact O-CB 3.44Å; N349-Q352 PolarHBondContact O-N 3.2Å; N349-K353 PolarHBondContact O-N 3.32Å
350	V	51.1	Low	57.4	Low	107 Å²	107	101.8 Å²	101.8	65%	0.648	51%	0.508	S	S	*	.	H	α-helix	trans	-47.2	-37.5	-178.3	175.9	0	0	0	0	112.1	Q352 K353 I354	V350-Q352 PolarHBondContact O-N 2.91Å; V350-K353 WeakPolarHBondContact O-CB 3.47Å; V350-K353 PolarHBondContact O-N 2.94Å; V350-I354 HydrophobicContact CG1-CD1 3.8Å; V350-I354 HydrophobicContact CG1-CG1 4.29Å; V350-I354 VanDerWaalsContact O-CG1 3.3Å; V350-I354 WeakPolarHBondContact O-CG1 3.48Å; V350-I354 PolarHBondContact O-N 3.38Å
351	F	48.1	Very low	54.8	Low	178 Å²	178	104.9 Å²	104.9	78%	0.781	52%	0.524	S	S	*	.	H	α-helix	trans	-59.9	-38.6	174.5	-93	-83	0	0	0	114.7	N349 K355	N349-F351 PolarHBondContact O-N 2.66Å; F351-K355 WeakPolarHBondContact O-CB 3.38Å; F351-K355 PolarHBondContact O-N 3.2Å
352	Q	50.8	Low	52.4	Low	77 Å²	77	106.6 Å²	106.6	36%	0.36	54%	0.542	S	S	.	.	H	α-helix	trans	-72.2	-35.9	176	-71.8	168.6	-32.7	0	0	111.4	L348 N349 V350 K355 S356	L348-Q352 HydrophobicContact CB-CB 4.27Å; L348-Q352 HydrophobicContact CD2-CB 3.94Å; L348-Q352 HydrophobicContact CD2-CG 4.48Å; N349-Q352 WeakPolarHBondContact O-CA 3.43Å; N349-Q352 WeakPolarHBondContact O-CB 3.44Å; N349-Q352 PolarHBondContact O-N 3.2Å; V350-Q352 PolarHBondContact O-N 2.91Å; Q352-K355 PolarHBondContact O-N 2.91Å; Q352-S356 PolarHBondContact O-N 3.43Å
353	K	44.9	Very low	50.2	Low	138 Å²	138	109.1 Å²	109.1	60%	0.6	55%	0.552	S	S	*	*	H	α-helix	trans	-66.1	-37.7	173.9	-149.4	176.8	-172.9	-177.6	0	112.5	N349 V350 S356 S357	N349-K353 PolarHBondContact O-N 3.32Å; V350-K353 WeakPolarHBondContact O-CB 3.47Å; V350-K353 PolarHBondContact O-N 2.94Å; K353-S356 PolarHBondContact O-OG 2.93Å; K353-S357 WeakPolarHBondContact O-CB 3.08Å; K353-S357 PolarHBondContact O-N 3.09Å; K353-S357 VanDerWaalsContact O-N 3.17Å; K353-S357 PolarHBondContact O-OG 3.27Å
354	I	52.2	Low	48.3	Very low	86 Å²	86	113.8 Å²	113.8	44%	0.441	58%	0.577	S	S	.	*	H	α-helix	trans	-66.4	-41.9	170.9	-68.8	167.5	0	0	0	109.9	V350 S356 S357 I358	V350-I354 HydrophobicContact CG1-CD1 3.8Å; V350-I354 HydrophobicContact CG1-CG1 4.29Å; V350-I354 VanDerWaalsContact O-CG1 3.3Å; V350-I354 WeakPolarHBondContact O-CG1 3.48Å; V350-I354 PolarHBondContact O-N 3.38Å; I354-S356 PolarHBondContact O-N 3.34Å; I354-S357 PolarHBondContact O-N 3.18Å; I354-S357 VanDerWaalsContact O-N 3.09Å; I354-I358 HydrophobicContact CG2-CD1 3.83Å; I354-I358 HydrophobicContact CG2-CG1 4.35Å; I354-I358 VanDerWaalsContact O-CG1 3.27Å; I354-I358 WeakPolarHBondContact O-CG1 3.41Å; I354-I358 PolarHBondContact O-N 2.93Å
355	K	46.6	Very low	47.1	Very low	156 Å²	156	115.5 Å²	115.5	68%	0.678	58%	0.582	S	S	*	*	H	α-helix	trans	-65.2	-35.6	179.7	-149.4	176.8	-173.8	-179.3	0	113.6	F351 Q352	F351-K355 WeakPolarHBondContact O-CB 3.38Å; F351-K355 PolarHBondContact O-N 3.2Å; Q352-K355 PolarHBondContact O-N 2.91Å
356	S	46	Very low	46.7	Very low	48 Å²	48	108.4 Å²	108.4	34%	0.336	55%	0.553	S	S	.	*	H	α-helix	trans	-72.3	-28	171	63.9	0	0	0	0	112.9	Q352 K353 I354 H359	Q352-S356 PolarHBondContact O-N 3.43Å; K353-S356 PolarHBondContact O-OG 2.93Å; I354-S356 PolarHBondContact O-N 3.34Å; S356-H359 PolarHBondContact O-CD2 3.28Å
357	S	46.4	Very low	46.6	Very low	76 Å²	76	104.4 Å²	104.4	53%	0.531	53%	0.533	S	S	.	.	H	α-helix	trans	-79.9	-19.9	179	-56.7	0	0	0	0	113.8	K353 I354 H359 C360	K353-S357 WeakPolarHBondContact O-CB 3.08Å; K353-S357 PolarHBondContact O-N 3.09Å; K353-S357 VanDerWaalsContact O-N 3.17Å; K353-S357 PolarHBondContact O-OG 3.27Å; I354-S357 PolarHBondContact O-N 3.18Å; I354-S357 VanDerWaalsContact O-N 3.09Å; S357-H359 PolarHBondContact O-N 3.17Å; S357-H359 VanDerWaalsContact O-N 3.09Å; S357-C360 PolarHBondContact O-N 3.08Å
358	I	44.2	Very low	47.2	Very low	86 Å²	86	98.2 Å²	98.2	44%	0.441	52%	0.516	S	S	.	.	G	3₁₀ helix	trans	-68.3	-4.2	176.8	-72.2	163.8	0	0	0	112.7	I354 C360 I361	I354-I358 HydrophobicContact CG2-CD1 3.83Å; I354-I358 HydrophobicContact CG2-CG1 4.35Å; I354-I358 VanDerWaalsContact O-CG1 3.27Å; I354-I358 WeakPolarHBondContact O-CG1 3.41Å; I354-I358 PolarHBondContact O-N 2.93Å; I358-C360 PolarHBondContact O-N 2.94Å; I358-I361 HydrophobicContact CG2-CD1 3.78Å; I358-I361 HydrophobicContact CG2-CG1 4.38Å; I358-I361 PolarHBondContact O-N 3.26Å
359	H	44.3	Very low	47.4	Very low	150 Å²	150	100.6 Å²	100.6	69%	0.694	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-65.1	-0.7	171.2	-83.3	-79.5	0	0	0	115.1	S356 S357	S356-H359 PolarHBondContact O-CD2 3.28Å; S357-H359 PolarHBondContact O-N 3.17Å; S357-H359 VanDerWaalsContact O-N 3.09Å
360	C	42.8	Very low	47.8	Very low	122 Å²	122	99.9 Å²	99.9	82%	0.824	52%	0.523	S	S	*	.	G	3₁₀ helix	trans	-95.6	6	175.6	-60.8	0	0	0	0	115.1	S357 I358	S357-C360 PolarHBondContact O-N 3.08Å; I358-C360 PolarHBondContact O-N 2.94Å
361	I	39.9	Very low	47.9	Very low	67 Å²	67	99.4 Å²	99.4	34%	0.344	51%	0.51	S	S	.	.	S	Bend	trans	-79.1	133.3	172.7	-60.9	-179.6	0	0	0	109	I358 Y363 I365	I358-I361 HydrophobicContact CG2-CD1 3.78Å; I358-I361 HydrophobicContact CG2-CG1 4.38Å; I358-I361 PolarHBondContact O-N 3.26Å; I361-Y363 PolarHBondContact O-N 3.27Å; I361-I365 HydrophobicContact CG2-CB 3.85Å; I361-I365 HydrophobicContact CG2-CG2 3.96Å
362	P	43.3	Very low	48.5	Very low	87 Å²	87	96.2 Å²	96.2	57%	0.565	50%	0.5	S	S	*	.			trans	-46.5	126.8	175.4	-26.9	32.9	0	0	0	111.1	I364 I365 S366	P362-I364 PolarHBondContact O-N 3.43Å; P362-I365 PolarHBondContact O-N 3.14Å; P362-S366 PolarHBondContact O-N 2.95Å
363	Y	46	Very low	48.9	Very low	163 Å²	163	94.1 Å²	94.1	64%	0.639	50%	0.499	S	S	*	.	H	α-helix	trans	-48.7	-24.4	-169.4	-172.9	-99.1	0	0	0	114.5	I361 N367	I361-Y363 PolarHBondContact O-N 3.27Å; Y363-N367 WeakPolarHBondContact CD1-ND2 3.47Å; Y363-N367 WeakPolarHBondContact CE1-ND2 3.23Å; Y363-N367 PolarHBondContact O-N 3.17Å; Y363-N367 PolarHBondContact O-ND2 3.44Å
364	I	46.2	Very low	49.5	Very low	129 Å²	129	91.2 Å²	91.2	66%	0.662	49%	0.486	S	S	*	.	H	α-helix	trans	-76.8	-39	179.6	-58.2	174.4	0	0	0	112	P362 A368	P362-I364 PolarHBondContact O-N 3.43Å; I364-A368 PolarHBondContact O-N 3.12Å
365	I	50.6	Low	50	Low	97 Å²	97	92 Å²	92	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-77.5	-37.1	-180	-60.4	173.6	0	0	0	110.6	I361 P362 N367 A368 I369	I361-I365 HydrophobicContact CG2-CB 3.85Å; I361-I365 HydrophobicContact CG2-CG2 3.96Å; P362-I365 PolarHBondContact O-N 3.14Å; I365-N367 VanDerWaalsContact C-N 3.29Å; I365-N367 PolarHBondContact O-N 3.18Å; I365-A368 PolarHBondContact O-N 2.84Å; I365-I369 HydrophobicContact CG2-CD1 3.99Å; I365-I369 WeakPolarHBondContact O-CG1 3.33Å; I365-I369 PolarHBondContact O-N 2.9Å
366	S	49.8	Very low	50.8	Low	35 Å²	35	88 Å²	88	25%	0.245	48%	0.482	C	S	.	.	H	α-helix	trans	-60.1	-39.1	173.2	-176.6	0	0	0	0	112	P362 I369 L370	P362-S366 PolarHBondContact O-N 2.95Å; S366-I369 PolarHBondContact O-N 2.91Å; S366-L370 WeakPolarHBondContact O-CB 3.48Å; S366-L370 WeakPolarHBondContact O-CD1 3.38Å; S366-L370 WeakPolarHBondContact O-CG 3.19Å; S366-L370 PolarHBondContact O-N 3.03Å
367	N	48.3	Very low	51.6	Low	34 Å²	34	92 Å²	92	18%	0.182	49%	0.49	C	S	.	.	H	α-helix	trans	-71.5	-34.8	-178.8	-88	-57.5	0	0	0	113.8	Y363 I365 L370 W371 K575	Y363-N367 WeakPolarHBondContact CD1-ND2 3.47Å; Y363-N367 WeakPolarHBondContact CE1-ND2 3.23Å; Y363-N367 PolarHBondContact O-N 3.17Å; Y363-N367 PolarHBondContact O-ND2 3.44Å; I365-N367 VanDerWaalsContact C-N 3.29Å; I365-N367 PolarHBondContact O-N 3.18Å; N367-L370 PolarHBondContact O-N 3.37Å; N367-W371 WeakPolarHBondContact O-CB 3.43Å; N367-W371 PolarHBondContact O-N 3.24Å; N367-K575 PolarHBondContact OD1-NZ 3.42Å
368	A	53.9	Low	52.3	Low	53 Å²	53	91.8 Å²	91.8	44%	0.438	48%	0.48	S	S	.	.	H	α-helix	trans	-68	-41	174.4	0	0	0	0	0	111.5	I364 I365 W371 I372	I364-A368 PolarHBondContact O-N 3.12Å; I365-A368 PolarHBondContact O-N 2.84Å; A368-W371 PolarHBondContact O-N 3.43Å; A368-I372 VanDerWaalsContact O-CG1 3.32Å; A368-I372 WeakPolarHBondContact O-CG1 3.39Å; A368-I372 PolarHBondContact O-N 2.97Å
369	I	54.7	Low	53.3	Low	104 Å²	104	91.3 Å²	91.3	53%	0.533	48%	0.482	S	S	.	.	H	α-helix	trans	-66.3	-37.8	175.3	-64.8	168.7	0	0	0	111	I365 S366 W371 G373	I365-I369 HydrophobicContact CG2-CD1 3.99Å; I365-I369 WeakPolarHBondContact O-CG1 3.33Å; I365-I369 PolarHBondContact O-N 2.9Å; S366-I369 PolarHBondContact O-N 2.91Å; I369-W371 VanDerWaalsContact C-N 3.35Å; I369-G373 WeakPolarHBondContact O-CA 3.29Å; I369-G373 PolarHBondContact O-N 3.19Å
370	L	53.3	Low	54.3	Low	104 Å²	104	88.2 Å²	88.2	55%	0.545	47%	0.47	S	S	.	.	H	α-helix	trans	-70.6	-28.9	174	-74.6	167.3	0	0	0	112.6	S366 N367 G373 F374	S366-L370 WeakPolarHBondContact O-CB 3.48Å; S366-L370 WeakPolarHBondContact O-CD1 3.38Å; S366-L370 WeakPolarHBondContact O-CG 3.19Å; S366-L370 PolarHBondContact O-N 3.03Å; N367-L370 PolarHBondContact O-N 3.37Å; L370-G373 CarbonylContact O-C 3.59Å; L370-F374 VanDerWaalsContact O-CB 3.27Å; L370-F374 WeakPolarHBondContact O-CB 3.27Å; L370-F374 PolarHBondContact O-N 3.4Å
371	W	54.6	Low	55.1	Low	98 Å²	98	82.7 Å²	82.7	37%	0.371	43%	0.433	S	S	.	.	H	α-helix	trans	-77.7	-44.6	176.6	-114.1	89.5	0	0	0	113.2	N367 A368 I369 G373 F374 L375 W572	N367-W371 WeakPolarHBondContact O-CB 3.43Å; N367-W371 PolarHBondContact O-N 3.24Å; A368-W371 PolarHBondContact O-N 3.43Å; I369-W371 VanDerWaalsContact C-N 3.35Å; W371-G373 PolarHBondContact O-N 3.47Å; W371-F374 PolarHBondContact O-N 2.96Å; W371-L375 HydrophobicContact CE3-CD1 3.66Å; W371-L375 HydrophobicContact CE3-CD2 4.44Å; W371-L375 HydrophobicContact CE3-CG 3.8Å; W371-L375 HydrophobicContact CZ3-CD1 3.85Å; W371-L375 HydrophobicContact CZ3-CD2 4Å; W371-L375 HydrophobicContact CZ3-CG 3.87Å; W371-L375 WeakPolarHBondContact O-CB 3.12Å; W371-L375 WeakPolarHBondContact O-CG 3.34Å; W371-L375 PolarHBondContact O-N 3.35Å; W371-W572 HydrophobicContact CD2-CZ2 4.37Å; W371-W572 AromaticContact CE2-CE2 3.86Å; W371-W572 AromaticContact CE2-CZ2 3.34Å; W371-W572 AromaticContact CE2-NE1 3.79Å; W371-W572 HydrophobicContact CH2-CZ2 4.36Å; W371-W572 AromaticContact CZ2-CE2 3.63Å; W371-W572 AromaticContact CZ2-CZ2 3.35Å; W371-W572 HydrophobicContact CZ2-CZ2 3.35Å; W371-W572 AromaticContact CZ2-NE1 3.39Å; W371-W572 AromaticContact NE1-CE2 3.59Å; W371-W572 AromaticContact NE1-CZ2 3.16Å; W371-W572 AromaticContact NE1-NE1 3.59Å
372	I	60.4	Low	56.3	Low	110 Å²	110	82.5 Å²	82.5	56%	0.564	43%	0.432	S	S	*	.	H	α-helix	trans	-60.4	-43.7	168.2	-65.3	165.9	0	0	0	108.5	A368 F374 L375 C376	A368-I372 VanDerWaalsContact O-CG1 3.32Å; A368-I372 WeakPolarHBondContact O-CG1 3.39Å; A368-I372 PolarHBondContact O-N 2.97Å; I372-F374 PolarHBondContact O-N 3.01Å; I372-L375 PolarHBondContact O-N 3.36Å; I372-C376 WeakPolarHBondContact O-CB 3.36Å; I372-C376 PolarHBondContact O-N 2.87Å; I372-C376 PolarHBondContact O-SG 3.1Å
373	G	58.6	Low	57.5	Low	33 Å²	33	80.7 Å²	80.7	34%	0.34	43%	0.425	S	S	.	.	H	α-helix	trans	-54.8	-46.7	172	0	0	0	0	0	112.3	I369 L370 W371 Y377	I369-G373 WeakPolarHBondContact O-CA 3.29Å; I369-G373 PolarHBondContact O-N 3.19Å; L370-G373 CarbonylContact O-C 3.59Å; W371-G373 PolarHBondContact O-N 3.47Å; G373-Y377 WeakPolarHBondContact O-CA 3.4Å; G373-Y377 WeakPolarHBondContact O-CB 3.42Å; G373-Y377 PolarHBondContact O-N 3.1Å
374	F	58.2	Low	58.4	Low	77 Å²	77	75.7 Å²	75.7	34%	0.338	41%	0.407	S	S	.	.	H	α-helix	trans	-68.7	-46.6	179	178.8	-99.2	0	0	0	112.1	L370 W371 I372 C376 Y377 F378	L370-F374 VanDerWaalsContact O-CB 3.27Å; L370-F374 WeakPolarHBondContact O-CB 3.27Å; L370-F374 PolarHBondContact O-N 3.4Å; W371-F374 PolarHBondContact O-N 2.96Å; I372-F374 PolarHBondContact O-N 3.01Å; F374-C376 VanDerWaalsContact C-N 3.29Å; F374-C376 PolarHBondContact O-N 3.34Å; F374-Y377 PolarHBondContact O-N 3.13Å; F374-F378 HydrophobicContact CE2-CD2 4.3Å; F374-F378 AromaticContact CZ-CD2 3.99Å; F374-F378 HydrophobicContact CZ-CD2 3.99Å; F374-F378 WeakPolarHBondContact O-CB 3.43Å; F374-F378 PolarHBondContact O-N 3.15Å
375	L	63.2	Low	59	Low	103 Å²	103	72.9 Å²	72.9	54%	0.539	39%	0.39	S	S	.	.	H	α-helix	trans	-62.8	-35.2	177.3	-74.7	172	0	0	0	112.2	W371 I372 P379	W371-L375 HydrophobicContact CE3-CD1 3.66Å; W371-L375 HydrophobicContact CE3-CD2 4.44Å; W371-L375 HydrophobicContact CE3-CG 3.8Å; W371-L375 HydrophobicContact CZ3-CD1 3.85Å; W371-L375 HydrophobicContact CZ3-CD2 4Å; W371-L375 HydrophobicContact CZ3-CG 3.87Å; W371-L375 WeakPolarHBondContact O-CB 3.12Å; W371-L375 WeakPolarHBondContact O-CG 3.34Å; W371-L375 PolarHBondContact O-N 3.35Å; I372-L375 PolarHBondContact O-N 3.36Å; L375-P379 WeakPolarHBondContact O-CD 2.84Å; L375-P379 WeakPolarHBondContact O-CG 3.38Å
376	C	63.2	Low	60	Low	72 Å²	72	75 Å²	75	49%	0.486	40%	0.401	S	S	.	.	H	α-helix	trans	-81.2	-36.7	174.7	-64.8	0	0	0	0	112.5	I372 F374 P379 I380	I372-C376 WeakPolarHBondContact O-CB 3.36Å; I372-C376 PolarHBondContact O-N 2.87Å; I372-C376 PolarHBondContact O-SG 3.1Å; F374-C376 VanDerWaalsContact C-N 3.29Å; F374-C376 PolarHBondContact O-N 3.34Å; C376-P379 WeakPolarHBondContact O-CD 3.34Å; C376-I380 WeakPolarHBondContact O-CD1 3.38Å; C376-I380 WeakPolarHBondContact O-CG1 3.39Å
377	Y	62.5	Low	61.1	Low	131 Å²	131	82.5 Å²	82.5	51%	0.514	43%	0.43	S	S	.	.	H	α-helix	trans	-78.1	-29.4	-176.8	-174.4	-99.3	0	0	0	112.4	G373 F374 I380 S381	G373-Y377 WeakPolarHBondContact O-CA 3.4Å; G373-Y377 WeakPolarHBondContact O-CB 3.42Å; G373-Y377 PolarHBondContact O-N 3.1Å; F374-Y377 PolarHBondContact O-N 3.13Å; Y377-I380 PolarHBondContact O-N 2.54Å; Y377-S381 VanDerWaalsContact O-CB 3.28Å; Y377-S381 WeakPolarHBondContact O-CB 2.98Å; Y377-S381 PolarHBondContact O-N 3.49Å; Y377-S381 PolarHBondContact O-OG 3.32Å
378	F	60.9	Low	61.8	Low	73 Å²	73	84.7 Å²	84.7	32%	0.32	44%	0.441	S	S	.	.	H	α-helix	trans	-62.9	-49.2	-179.3	-177.2	-91.7	0	0	0	112.3	F374 I380 S381 I382 F394	F374-F378 HydrophobicContact CE2-CD2 4.3Å; F374-F378 AromaticContact CZ-CD2 3.99Å; F374-F378 HydrophobicContact CZ-CD2 3.99Å; F374-F378 WeakPolarHBondContact O-CB 3.43Å; F374-F378 PolarHBondContact O-N 3.15Å; F378-I380 PolarHBondContact O-N 3.39Å; F378-S381 PolarHBondContact O-OG 2.84Å; F378-I382 HydrophobicContact CD1-CD1 3.83Å; F378-I382 HydrophobicContact CE1-CD1 3.42Å; F378-I382 VanDerWaalsContact CE1-CD1 3.42Å; F378-I382 HydrophobicContact CE2-CD1 4.36Å; F378-I382 HydrophobicContact CG-CD1 4.44Å; F378-I382 HydrophobicContact CZ-CD1 3.72Å; F378-I382 WeakPolarHBondContact O-CG1 3.26Å; F378-I382 PolarHBondContact O-N 2.96Å; F378-I382 VanDerWaalsContact O-N 3.12Å; F378-F394 HydrophobicContact CD2-CE1 4.29Å; F378-F394 AromaticContact CD2-CZ 3.74Å; F378-F394 HydrophobicContact CD2-CZ 3.74Å; F378-F394 HydrophobicContact CE2-CE1 4.46Å; F378-F394 HydrophobicContact CE2-CE2 4.47Å; F378-F394 AromaticContact CE2-CZ 3.62Å; F378-F394 HydrophobicContact CE2-CZ 3.62Å
379	P	65	Low	62.2	Low	75 Å²	75	86.7 Å²	86.7	49%	0.487	45%	0.45	S	S	.	.	H	α-helix	trans	-62.1	-39.7	171.6	-19.7	29.8	0	0	0	113	L375 C376 I382 A383	L375-P379 WeakPolarHBondContact O-CD 2.84Å; L375-P379 WeakPolarHBondContact O-CG 3.38Å; C376-P379 WeakPolarHBondContact O-CD 3.34Å; P379-I382 PolarHBondContact O-N 3.41Å; P379-A383 WeakPolarHBondContact O-CB 3.42Å; P379-A383 PolarHBondContact O-N 2.96Å
380	I	65.8	Low	62.2	Low	86 Å²	86	89 Å²	89	44%	0.441	46%	0.463	S	S	.	.	H	α-helix	trans	-66.8	-43.7	-178.4	-66.6	169.9	0	0	0	111.2	C376 Y377 F378 A383 Q384	C376-I380 WeakPolarHBondContact O-CD1 3.38Å; C376-I380 WeakPolarHBondContact O-CG1 3.39Å; Y377-I380 PolarHBondContact O-N 2.54Å; F378-I380 PolarHBondContact O-N 3.39Å; I380-A383 PolarHBondContact O-N 3.38Å; I380-Q384 HydrophobicContact CG2-CG 4.25Å; I380-Q384 VanDerWaalsContact O-CB 3.23Å; I380-Q384 WeakPolarHBondContact O-CB 3.47Å; I380-Q384 WeakPolarHBondContact O-CG 3.5Å; I380-Q384 PolarHBondContact O-N 3.37Å
381	S	59.8	Low	62	Low	6 Å²	6	89.5 Å²	89.5	4%	0.042	46%	0.458	C	S	.	.	H	α-helix	trans	-67.4	-38.3	178.8	51.9	0	0	0	0	111.6	Y377 F378 Q384 K385 L393	Y377-S381 VanDerWaalsContact O-CB 3.28Å; Y377-S381 WeakPolarHBondContact O-CB 2.98Å; Y377-S381 PolarHBondContact O-N 3.49Å; Y377-S381 PolarHBondContact O-OG 3.32Å; F378-S381 PolarHBondContact O-OG 2.84Å; S381-Q384 PolarHBondContact O-N 2.99Å; S381-K385 WeakPolarHBondContact O-CB 3.43Å; S381-K385 PolarHBondContact O-N 3.27Å; S381-L393 VanDerWaalsContact O-CD1 3.27Å; S381-L393 WeakPolarHBondContact O-CD1 3.43Å
382	I	64	Low	61.7	Low	62 Å²	62	91.2 Å²	91.2	32%	0.318	47%	0.468	S	S	.	.	H	α-helix	trans	-61.4	-50.3	169.9	-69.8	173.3	0	0	0	110.7	F378 P379 Q384 K385 L386 L393	F378-I382 HydrophobicContact CD1-CD1 3.83Å; F378-I382 HydrophobicContact CE1-CD1 3.42Å; F378-I382 VanDerWaalsContact CE1-CD1 3.42Å; F378-I382 HydrophobicContact CE2-CD1 4.36Å; F378-I382 HydrophobicContact CG-CD1 4.44Å; F378-I382 HydrophobicContact CZ-CD1 3.72Å; F378-I382 WeakPolarHBondContact O-CG1 3.26Å; F378-I382 PolarHBondContact O-N 2.96Å; F378-I382 VanDerWaalsContact O-N 3.12Å; P379-I382 PolarHBondContact O-N 3.41Å; I382-Q384 VanDerWaalsContact C-N 3.28Å; I382-Q384 PolarHBondContact O-N 3.04Å; I382-K385 PolarHBondContact O-N 2.81Å; I382-K385 VanDerWaalsContact O-N 3.16Å; I382-L386 HydrophobicContact CG2-CD1 3.97Å; I382-L386 HydrophobicContact CG2-CG 4.44Å; I382-L386 WeakPolarHBondContact O-CG 3.37Å; I382-L386 PolarHBondContact O-N 2.91Å; I382-L393 HydrophobicContact CG1-CD1 4.15Å
383	A	69.1	Low	60.6	Low	50 Å²	50	88.2 Å²	88.2	41%	0.413	45%	0.453	S	S	.	.	H	α-helix	trans	-60.4	-38.1	177.8	0	0	0	0	0	112.4	P379 I380 L386 K387	P379-A383 WeakPolarHBondContact O-CB 3.42Å; P379-A383 PolarHBondContact O-N 2.96Å; I380-A383 PolarHBondContact O-N 3.38Å; A383-L386 PolarHBondContact O-N 3.35Å; A383-K387 PolarHBondContact O-N 3.01Å
384	Q	63.7	Low	59.9	Low	57 Å²	57	88.9 Å²	88.9	27%	0.266	45%	0.446	S	S	.	.	H	α-helix	trans	-69.8	-33	177.1	-78.9	175	-5.4	0	0	113.2	I380 S381 I382 N388 R391	I380-Q384 HydrophobicContact CG2-CG 4.25Å; I380-Q384 VanDerWaalsContact O-CB 3.23Å; I380-Q384 WeakPolarHBondContact O-CB 3.47Å; I380-Q384 WeakPolarHBondContact O-CG 3.5Å; I380-Q384 PolarHBondContact O-N 3.37Å; S381-Q384 PolarHBondContact O-N 2.99Å; I382-Q384 VanDerWaalsContact C-N 3.28Å; I382-Q384 PolarHBondContact O-N 3.04Å; Q384-N388 PolarHBondContact O-N 3.31Å; Q384-R391 VanDerWaalsContact CB-NH1 3.32Å; Q384-R391 VanDerWaalsContact CD-CZ 3.46Å
385	K	59.3	Low	59	Low	70 Å²	70	89.4 Å²	89.4	30%	0.304	46%	0.456	S	S	.	.	H	α-helix	trans	-73.7	-39.6	173.5	-179.4	82.9	175.1	178.4	0	111.6	S381 I382 K387 N388 P389 R391 L393	S381-K385 WeakPolarHBondContact O-CB 3.43Å; S381-K385 PolarHBondContact O-N 3.27Å; I382-K385 PolarHBondContact O-N 2.81Å; I382-K385 VanDerWaalsContact O-N 3.16Å; K385-K387 PolarHBondContact O-N 3.19Å; K385-N388 CarbonylContact O-C 3.26Å; K385-N388 PolarHBondContact O-N 3.36Å; K385-N388 VanDerWaalsContact O-N 3.15Å; K385-N388 VanDerWaalsContact O-O 3.09Å; K385-P389 WeakPolarHBondContact CE-O 3.35Å; K385-P389 PolarHBondContact NZ-O 3.04Å; K385-P389 VanDerWaalsContact NZ-O 3.07Å; K385-R391 WeakPolarHBondContact CD-O 3.32Å; K385-R391 VanDerWaalsContact CE-O 3.31Å; K385-R391 WeakPolarHBondContact CE-O 3.23Å; K385-R391 PolarHBondContact NZ-O 3.07Å; K385-L393 HydrophobicContact CB-CD1 3.36Å; K385-L393 HydrophobicContact CD-CB 3.96Å; K385-L393 HydrophobicContact CD-CD1 4.19Å; K385-L393 HydrophobicContact CG-CB 4.35Å; K385-L393 HydrophobicContact CG-CD1 3.72Å; K385-L393 HydrophobicContact CG-CG 4.48Å
386	L	72.5	Confident	57.7	Low	142 Å²	142	87.4 Å²	87.4	74%	0.743	44%	0.442	S	S	*	.	H	α-helix	trans	-60.6	-36.3	171.9	-70.9	169.7	0	0	0	110.9	I382 A383	I382-L386 HydrophobicContact CG2-CD1 3.97Å; I382-L386 HydrophobicContact CG2-CG 4.44Å; I382-L386 WeakPolarHBondContact O-CG 3.37Å; I382-L386 PolarHBondContact O-N 2.91Å; A383-L386 PolarHBondContact O-N 3.35Å
387	K	72	Confident	56.3	Low	193 Å²	193	86.5 Å²	86.5	84%	0.839	44%	0.435	S	S	*	.	H	α-helix	trans	-75.5	-28	172.4	-79.3	-173.8	175.6	-175.7	0	114.6	A383 K385	A383-K387 PolarHBondContact O-N 3.01Å; K385-K387 PolarHBondContact O-N 3.19Å
388	N	63.8	Low	55.2	Low	80 Å²	80	86.8 Å²	86.8	43%	0.428	45%	0.445	S	S	.	.			trans	-142.2	98.4	-179.9	-168.6	-19.5	0	0	0	111.1	Q384 K385 N390 R391	Q384-N388 PolarHBondContact O-N 3.31Å; K385-N388 CarbonylContact O-C 3.26Å; K385-N388 PolarHBondContact O-N 3.36Å; K385-N388 VanDerWaalsContact O-N 3.15Å; K385-N388 VanDerWaalsContact O-O 3.09Å; N388-N390 PolarHBondContact O-N 3.43Å; N388-N390 VanDerWaalsContact O-N 3.11Å; N388-N390 PolarHBondContact OD1-N 2.95Å; N388-R391 HydrophobicContact CB-CB 4.32Å; N388-R391 VanDerWaalsContact O-CB 3.28Å; N388-R391 WeakPolarHBondContact O-CB 3.41Å; N388-R391 PolarHBondContact O-N 3.07Å
389	P	61	Low	54.3	Low	95 Å²	95	85 Å²	85	62%	0.617	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-30.3	-176.3	-25.1	32.8	0	0	0	114	K385 R391	K385-P389 WeakPolarHBondContact CE-O 3.35Å; K385-P389 PolarHBondContact NZ-O 3.04Å; K385-P389 VanDerWaalsContact NZ-O 3.07Å; P389-R391 VanDerWaalsContact C-N 3.27Å; P389-R391 PolarHBondContact O-N 2.99Å
390	N	55.1	Low	53	Low	151 Å²	151	83.1 Å²	83.1	81%	0.807	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-10.2	-177.8	-67.8	-25.9	0	0	0	113.5	N388	N388-N390 PolarHBondContact O-N 3.43Å; N388-N390 VanDerWaalsContact O-N 3.11Å; N388-N390 PolarHBondContact OD1-N 2.95Å
391	R	49.4	Very low	52.1	Low	115 Å²	115	84 Å²	84	43%	0.434	43%	0.427	S	S	.	.	S	Bend	trans	-73	132.7	-179.5	-158.8	173.8	-179.6	168.1	-3.5	110.6	Q384 K385 N388 P389 L393	Q384-R391 VanDerWaalsContact CB-NH1 3.32Å; Q384-R391 VanDerWaalsContact CD-CZ 3.46Å; K385-R391 WeakPolarHBondContact CD-O 3.32Å; K385-R391 VanDerWaalsContact CE-O 3.31Å; K385-R391 WeakPolarHBondContact CE-O 3.23Å; K385-R391 PolarHBondContact NZ-O 3.07Å; N388-R391 HydrophobicContact CB-CB 4.32Å; N388-R391 VanDerWaalsContact O-CB 3.28Å; N388-R391 WeakPolarHBondContact O-CB 3.41Å; N388-R391 PolarHBondContact O-N 3.07Å; P389-R391 VanDerWaalsContact C-N 3.27Å; P389-R391 PolarHBondContact O-N 2.99Å; R391-L393 PolarHBondContact O-N 3.1Å
392	K	47.9	Very low	51.5	Low	135 Å²	135	89 Å²	89	59%	0.587	45%	0.453	S	S	*	.			trans	-72.3	118.2	176	-69.2	-178.6	-179.5	177.7	0	109.2	F394	K392-F394 VanDerWaalsContact C-N 3.26Å; K392-F394 PolarHBondContact O-N 3.01Å
393	L	38.6	Very low	51	Low	47 Å²	47	89 Å²	89	25%	0.246	46%	0.456	C	S	.	.	S	Bend	trans	-69.3	-27.1	-175.3	-167.6	71.3	0	0	0	112.1	S381 I382 K385 R391	S381-L393 VanDerWaalsContact O-CD1 3.27Å; S381-L393 WeakPolarHBondContact O-CD1 3.43Å; I382-L393 HydrophobicContact CG1-CD1 4.15Å; K385-L393 HydrophobicContact CB-CD1 3.36Å; K385-L393 HydrophobicContact CD-CB 3.96Å; K385-L393 HydrophobicContact CD-CD1 4.19Å; K385-L393 HydrophobicContact CG-CB 4.35Å; K385-L393 HydrophobicContact CG-CD1 3.72Å; K385-L393 HydrophobicContact CG-CG 4.48Å; R391-L393 PolarHBondContact O-N 3.1Å
394	F	43.9	Very low	50.9	Low	46 Å²	46	87.1 Å²	87.1	20%	0.202	44%	0.44	C	S	.	.			trans	-146.2	114.7	-179.4	-72.7	-80.1	0	0	0	109	F378 K392 L561	F378-F394 HydrophobicContact CD2-CE1 4.29Å; F378-F394 AromaticContact CD2-CZ 3.74Å; F378-F394 HydrophobicContact CD2-CZ 3.74Å; F378-F394 HydrophobicContact CE2-CE1 4.46Å; F378-F394 HydrophobicContact CE2-CE2 4.47Å; F378-F394 AromaticContact CE2-CZ 3.62Å; F378-F394 HydrophobicContact CE2-CZ 3.62Å; K392-F394 VanDerWaalsContact C-N 3.26Å; K392-F394 PolarHBondContact O-N 3.01Å; F394-L561 HydrophobicContact CE2-CD1 4.48Å
395	T	37.9	Very low	51.8	Low	88 Å²	88	89 Å²	89	54%	0.54	45%	0.448	S	S	.	.			trans	-88.2	139.6	153.5	50.3	0	0	0	0	106.9
396	Y	36.6	Very low	53.3	Low	62 Å²	62	85.9 Å²	85.9	24%	0.243	44%	0.435	C	S	.	.			trans	-40.1	127.9	-180	-153.3	-96.1	0	0	0	110.9	N398 T399 D536 L540 L567	Y396-N398 PolarHBondContact O-N 3.04Å; Y396-N398 VanDerWaalsContact O-N 3.13Å; Y396-T399 VanDerWaalsContact CB-CG2 3.49Å; Y396-T399 HydrophobicContact CG-CG2 4.35Å; Y396-T399 PolarHBondContact N-OG1 3.07Å; Y396-T399 PolarHBondContact O-N 2.94Å; Y396-T399 PolarHBondContact O-OG1 3.38Å; Y396-D536 WeakPolarHBondContact OH-CB 3.46Å; Y396-D536 PolarHBondContact OH-O 3.49Å; Y396-L540 HydrophobicContact CE2-CD2 4.16Å; Y396-L567 HydrophobicContact CE2-CD1 4.19Å
397	P	34.1	Very low	54.2	Low	53 Å²	53	79.1 Å²	79.1	34%	0.344	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	120.8	173.1	25.2	-24.1	0	0	0	106.4
398	N	39.6	Very low	55.3	Low	136 Å²	136	70 Å²	70	73%	0.727	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	19.5	-164.4	-96.2	-3.1	0	0	0	119.2	R317 Y396 S400	R317-N398 PolarHBondContact NH1-O 2.79Å; Y396-N398 PolarHBondContact O-N 3.04Å; Y396-N398 VanDerWaalsContact O-N 3.13Å; N398-S400 PolarHBondContact O-N 3.28Å
399	T	41	Very low	56.8	Low	35 Å²	35	66.1 Å²	66.1	22%	0.215	34%	0.339	C	S	.	.			trans	-75.3	82.9	151.9	38.9	0	0	0	0	110.1	Y396 R401	Y396-T399 VanDerWaalsContact CB-CG2 3.49Å; Y396-T399 HydrophobicContact CG-CG2 4.35Å; Y396-T399 PolarHBondContact N-OG1 3.07Å; Y396-T399 PolarHBondContact O-N 2.94Å; Y396-T399 PolarHBondContact O-OG1 3.38Å; T399-R401 HydrophobicContact CG2-CG 4.29Å; T399-R401 PolarHBondContact O-N 2.89Å
400	S	38.9	Very low	58.4	Low	36 Å²	36	61.6 Å²	61.6	25%	0.252	31%	0.31	S	S	.	.			trans	-65	59.6	149.7	54.7	0	0	0	0	110.4	N398 N402 T403	N398-S400 PolarHBondContact O-N 3.28Å; S400-N402 PolarHBondContact O-N 2.98Å; S400-T403 WeakPolarHBondContact CB-OG1 3.38Å; S400-T403 PolarHBondContact O-N 3.12Å
401	R	45.1	Very low	60.2	Low	106 Å²	106	56.6 Å²	56.6	40%	0.4	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-25.4	171.5	-87.1	178.2	178	-165.6	-3.5	110.6	D260 T399	D260-R401 PolarHBondContact O-NH2 3.41Å; D260-R401 IonicContact OD1-NH2 2.83Å; D260-R401 PolarHBondContact OD1-NH2 3.26Å; T399-R401 HydrophobicContact CG2-CG 4.29Å; T399-R401 PolarHBondContact O-N 2.89Å
402	N	48.1	Very low	62.1	Low	110 Å²	110	53.4 Å²	53.4	59%	0.588	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.8	17.1	179.5	-67.3	-2.2	0	0	0	116.6	S400	S400-N402 PolarHBondContact O-N 2.98Å
403	T	54.3	Low	64.2	Low	61 Å²	61	47.3 Å²	47.3	37%	0.374	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-31.3	-178.9	85.1	0	0	0	0	115.1	S400	S400-T403 WeakPolarHBondContact CB-OG1 3.38Å; S400-T403 PolarHBondContact O-N 3.12Å
404	T	65.9	Low	66.6	Low	12 Å²	12	45.1 Å²	45.1	7%	0.074	24%	0.237	C	C	.	.			trans	-83.9	130.8	174.1	-169.1	0	0	0	0	109.6	E310 K343 I406	E310-T404 WeakPolarHBondContact OE2-CB 3.49Å; E310-T404 PolarHBondContact OE2-OG1 3.35Å; K343-T404 WeakPolarHBondContact CD-O 3.23Å; K343-T404 WeakPolarHBondContact CE-O 3.3Å; K343-T404 PolarHBondContact NZ-O 2.89Å; T404-I406 HydrophobicContact CG2-CB 4.44Å; T404-I406 PolarHBondContact O-N 3.43Å; T404-I406 WeakPolarHBondContact OG1-CB 3.41Å; T404-I406 VanDerWaalsContact OG1-CG1 3.32Å; T404-I406 WeakPolarHBondContact OG1-CG1 3.47Å; T404-I406 PolarHBondContact OG1-N 3.27Å
405	E	82.3	Confident	68.6	Low	97 Å²	97	43.1 Å²	43.1	45%	0.453	23%	0.228	S	C	.	.			trans	-76.7	-7	171	-61.7	-176	170	0	0	111.4	R342 K343	R342-E405 CarbonylContact C-O 3.56Å; R342-E405 VanDerWaalsContact CA-O 3.29Å; R342-E405 WeakPolarHBondContact CA-O 3.48Å; R342-E405 IonicContact CZ-OE2 3.42Å; R342-E405 IonicContact NH1-OE2 3.11Å; R342-E405 PolarHBondContact NH1-OE2 2.7Å; K343-E405 PolarHBondContact N-O 3.03Å
406	I	90.6	Very high	71.1	Confident	4 Å²	4	39.3 Å²	39.3	2%	0.021	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	132.6	-179.4	-57.7	172.8	0	0	0	110.4	F306 E310 L311 L314 V340 K343 T404	F306-I406 HydrophobicContact CD1-CD1 4.39Å; F306-I406 HydrophobicContact CD1-CG1 3.71Å; F306-I406 HydrophobicContact CE1-CG1 4.22Å; E310-I406 HydrophobicContact CB-CD1 3.76Å; L311-I406 HydrophobicContact CB-CD1 4.22Å; L311-I406 HydrophobicContact CD1-CG2 4.11Å; L314-I406 HydrophobicContact CD2-CG2 4.08Å; V340-I406 HydrophobicContact CG1-CG2 3.84Å; K343-I406 VanDerWaalsContact CE-O 3.26Å; K343-I406 WeakPolarHBondContact CE-O 3.47Å; T404-I406 HydrophobicContact CG2-CB 4.44Å; T404-I406 PolarHBondContact O-N 3.43Å; T404-I406 WeakPolarHBondContact OG1-CB 3.41Å; T404-I406 VanDerWaalsContact OG1-CG1 3.32Å; T404-I406 WeakPolarHBondContact OG1-CG1 3.47Å; T404-I406 PolarHBondContact OG1-N 3.27Å
407	Q	93.1	Very high	73.6	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.7	163.6	-174.6	170	75.1	0	0	108.8	K266 G268 S269 H271 R341 K343	K266-Q407 PolarHBondContact O-NE2 3.33Å; G268-Q407 WeakPolarHBondContact O-CG 3.46Å; G268-Q407 PolarHBondContact O-NE2 3.38Å; S269-Q407 CarbonylContact O-C 3.57Å; S269-Q407 WeakPolarHBondContact O-CA 3.22Å; H271-Q407 HydrophobicContact CB-CG 3.9Å; R341-Q407 HydrophobicContact CG-CB 4.19Å; R341-Q407 VanDerWaalsContact CZ-OE1 3.29Å; R341-Q407 PolarHBondContact N-O 3.32Å; R341-Q407 PolarHBondContact O-N 2.9Å; K343-Q407 HydrophobicContact CG-CB 3.9Å
408	L	94.8	Very high	76.2	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	121.2	172.4	177.4	67.3	0	0	0	108.6	S269 V270 H271 I295 L311 L314 L315 A318 L338 L410	S269-L408 PolarHBondContact O-N 3.5Å; V270-L408 CarbonylContact C-O 3.54Å; V270-L408 VanDerWaalsContact CA-O 3.25Å; V270-L408 WeakPolarHBondContact CA-O 3.27Å; H271-L408 PolarHBondContact N-O 2.94Å; I295-L408 HydrophobicContact CD1-CD1 4.25Å; L311-L408 HydrophobicContact CD1-CD1 4.29Å; L314-L408 HydrophobicContact CD2-CB 3.65Å; L314-L408 HydrophobicContact CG-CB 4.06Å; L314-L408 HydrophobicContact CG-CD2 4.35Å; L315-L408 HydrophobicContact CB-CD2 4.43Å; L315-L408 HydrophobicContact CD1-CD2 4.1Å; A318-L408 HydrophobicContact CB-CD2 4.26Å; L338-L408 HydrophobicContact CB-CD1 4.48Å; L408-L410 HydrophobicContact CD2-CD2 4Å; L408-L410 HydrophobicContact CG-CD2 4.01Å
409	V	95.1	Very high	78.4	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	125	177.8	-174.2	0	0	0	0	108.5	H271 P273 I290 L339 R341 L411	H271-V409 HydrophobicContact CB-CG2 4.24Å; H271-V409 WeakPolarHBondContact O-CA 3.39Å; P273-V409 HydrophobicContact CG-CG1 4.24Å; I290-V409 HydrophobicContact CB-CG1 4.41Å; I290-V409 HydrophobicContact CD1-CG1 4.44Å; I290-V409 HydrophobicContact CG1-CG1 3.98Å; I290-V409 HydrophobicContact CG2-CB 4.29Å; I290-V409 HydrophobicContact CG2-CG1 3.92Å; I290-V409 HydrophobicContact CG2-CG2 3.93Å; L339-V409 HydrophobicContact CB-CB 4.1Å; L339-V409 PolarHBondContact N-O 2.99Å; L339-V409 PolarHBondContact O-N 3.42Å; R341-V409 HydrophobicContact CG-CG2 4.15Å; V409-L411 HydrophobicContact CG1-CD2 3.82Å; V409-L411 HydrophobicContact CG1-CG 4.49Å
410	L	94.7	Very high	80.7	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	124.8	173.9	-48.9	-177.6	0	0	0	108.6	L258 V270 H271 V272 P273 F319 L338 L408 H413	L258-L410 HydrophobicContact CD1-CD1 3.69Å; V270-L410 HydrophobicContact CG1-CD1 3.87Å; V270-L410 HydrophobicContact CG1-CG 3.91Å; H271-L410 PolarHBondContact O-N 3.01Å; V272-L410 HydrophobicContact CG2-CB 4.41Å; P273-L410 WeakPolarHBondContact CD-O 3.48Å; F319-L410 HydrophobicContact CE2-CD2 4.49Å; L338-L410 HydrophobicContact CD2-CD2 3.37Å; L408-L410 HydrophobicContact CD2-CD2 4Å; L408-L410 HydrophobicContact CG-CD2 4.01Å; L410-H413 PolarHBondContact O-NE2 3.38Å
411	L	91.8	Very high	83.1	Confident	45 Å²	45	34.2 Å²	34.2	24%	0.236	18%	0.182	C	C	.	.			trans	-113.8	171.9	173.3	-51.9	-179.1	0	0	0	110	P273 I290 N337 L339 V409	P273-L411 HydrophobicContact CG-CD2 3.47Å; P273-L411 VanDerWaalsContact CG-CD2 3.47Å; I290-L411 HydrophobicContact CG1-CD2 4.42Å; N337-L411 HydrophobicContact CB-CB 4.24Å; N337-L411 WeakPolarHBondContact O-CA 3.22Å; N337-L411 VanDerWaalsContact O-CB 3.26Å; N337-L411 WeakPolarHBondContact O-CB 3.32Å; N337-L411 PolarHBondContact O-N 3.17Å; L339-L411 HydrophobicContact CD1-CD1 3.67Å; L339-L411 HydrophobicContact CD1-CG 4.46Å; L339-L411 HydrophobicContact CG-CD1 3.79Å; L339-L411 HydrophobicContact CG-CG 4.43Å; V409-L411 HydrophobicContact CG1-CD2 3.82Å; V409-L411 HydrophobicContact CG1-CG 4.49Å
412	D	89.7	Confident	85.2	Confident	49 Å²	49	34.1 Å²	34.1	26%	0.262	19%	0.189	S	C	.	.			trans	56.3	85.3	174.8	-167.2	-0.9	0	0	0	113.4	K194 H330 N337 G414	K194-D412 IonicContact NZ-OD1 2.89Å; H330-D412 PolarHBondContact CE1-O 2.99Å; H330-D412 PolarHBondContact NE2-O 2.92Å; H330-D412 VanDerWaalsContact NE2-O 3.14Å; N337-D412 HydrophobicContact CB-CB 3.95Å; N337-D412 VanDerWaalsContact CG-CB 3.42Å; N337-D412 WeakPolarHBondContact ND2-CB 3.46Å; N337-D412 PolarHBondContact ND2-OD2 3.45Å; D412-G414 VanDerWaalsContact C-N 3.32Å; D412-G414 PolarHBondContact OD1-N 3.06Å
413	H	93	Very high	87.2	Confident	7 Å²	7	31.8 Å²	31.8	3%	0.032	17%	0.174	C	C	.	.			trans	-97	21	-178	-63.9	-84.3	0	0	0	113.2	E247 N250 S251 V272 L410 L415 Y416	E247-H413 HydrophobicContact CG-CB 4.13Å; E247-H413 WeakPolarHBondContact O-CB 3.42Å; E247-H413 PolarHBondContact OE1-N 3.04Å; N250-H413 HydrophobicContact CB-CB 3.95Å; N250-H413 WeakPolarHBondContact CB-O 3.5Å; N250-H413 PolarHBondContact ND2-O 3.14Å; S251-H413 VanDerWaalsContact CB-CD2 3.42Å; S251-H413 WeakPolarHBondContact CB-CD2 3.41Å; V272-H413 WeakPolarHBondContact CG1-NE2 3.41Å; L410-H413 PolarHBondContact O-NE2 3.38Å; H413-L415 VanDerWaalsContact C-N 3.31Å; H413-L415 PolarHBondContact O-N 2.98Å; H413-Y416 HydrophobicContact CB-CD2 4.4Å; H413-Y416 HydrophobicContact CB-CE2 3.78Å; H413-Y416 PolarHBondContact CE1-OH 3.03Å; H413-Y416 AromaticContact CG-CE2 3.97Å; H413-Y416 AromaticContact ND1-CE2 3.39Å; H413-Y416 WeakPolarHBondContact ND1-CE2 3.49Å; H413-Y416 AromaticContact ND1-CZ 3.45Å; H413-Y416 PolarHBondContact ND1-OH 3.34Å
414	G	87.7	Confident	89	Confident	1 Å²	1	29 Å²	29	1%	0.01	16%	0.156	C	C	.	.	S	Bend	trans	-63.3	-33.4	-172.8	0	0	0	0	0	114	N246 D412	N246-G414 PolarHBondContact ND2-O 3.4Å; D412-G414 VanDerWaalsContact C-N 3.32Å; D412-G414 PolarHBondContact OD1-N 3.06Å
415	L	87.3	Confident	90.2	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.021	16%	0.163	C	C	.	.			trans	-125.2	106.3	-176.3	-161.4	68.2	0	0	0	112.9	T237 K240 H330 A331 D332 H413	T237-L415 HydrophobicContact CG2-CD1 3.68Å; T237-L415 HydrophobicContact CG2-CD2 3.43Å; T237-L415 VanDerWaalsContact CG2-CD2 3.43Å; T237-L415 HydrophobicContact CG2-CG 4.14Å; K240-L415 HydrophobicContact CB-CD1 4.26Å; K240-L415 HydrophobicContact CD-CD1 3.99Å; H330-L415 PolarHBondContact ND1-O 3.04Å; A331-L415 HydrophobicContact CB-CB 4.29Å; A331-L415 HydrophobicContact CB-CD2 3.69Å; A331-L415 HydrophobicContact CB-CG 3.68Å; A331-L415 PolarHBondContact N-O 3.45Å; D332-L415 HydrophobicContact CB-CB 4.35Å; D332-L415 HydrophobicContact CB-CD2 4.05Å; H413-L415 VanDerWaalsContact C-N 3.31Å; H413-L415 PolarHBondContact O-N 2.98Å
416	Y	89.7	Confident	90.8	Very high	8 Å²	8	26.4 Å²	26.4	3%	0.031	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.4	168.3	-80.7	-104.8	0	0	0	110.5	N250 C254 F328 V329 H330 H413	N250-Y416 HydrophobicContact CB-CD2 3.69Å; N250-Y416 HydrophobicContact CB-CE2 4.21Å; N250-Y416 HydrophobicContact CB-CG 4.2Å; C254-Y416 HydrophobicContact CB-CE1 4.19Å; C254-Y416 PolarHBondContact SG-OH 2.66Å; F328-Y416 AromaticContact CD1-CD1 3.41Å; F328-Y416 HydrophobicContact CD1-CD1 3.41Å; F328-Y416 VanDerWaalsContact CD1-CD1 3.41Å; F328-Y416 AromaticContact CD1-CE1 3.75Å; F328-Y416 HydrophobicContact CD1-CE1 3.75Å; F328-Y416 HydrophobicContact CD1-CG 4.32Å; F328-Y416 HydrophobicContact CD2-CD1 4.18Å; F328-Y416 AromaticContact CE1-CD1 3.11Å; F328-Y416 HydrophobicContact CE1-CD1 3.11Å; F328-Y416 HydrophobicContact CE1-CD2 4.45Å; F328-Y416 AromaticContact CE1-CE1 3.54Å; F328-Y416 HydrophobicContact CE1-CE1 3.54Å; F328-Y416 AromaticContact CE1-CG 3.64Å; F328-Y416 HydrophobicContact CE1-CG 3.64Å; F328-Y416 VanDerWaalsContact CE2-CB 3.5Å; F328-Y416 AromaticContact CE2-CD1 3.95Å; F328-Y416 HydrophobicContact CE2-CD1 3.95Å; F328-Y416 HydrophobicContact CE2-CG 4.02Å; F328-Y416 AromaticContact CG-CD1 3.95Å; F328-Y416 HydrophobicContact CG-CD1 3.95Å; F328-Y416 AromaticContact CZ-CD1 3.41Å; F328-Y416 HydrophobicContact CZ-CD1 3.41Å; F328-Y416 VanDerWaalsContact CZ-CD1 3.41Å; F328-Y416 HydrophobicContact CZ-CD2 4.35Å; F328-Y416 HydrophobicContact CZ-CE1 4.25Å; F328-Y416 AromaticContact CZ-CG 3.46Å; F328-Y416 HydrophobicContact CZ-CG 3.46Å; F328-Y416 VanDerWaalsContact CZ-CG 3.46Å; V329-Y416 WeakPolarHBondContact O-CA 3.31Å; H330-Y416 HydrophobicContact CB-CD1 4.22Å; H330-Y416 HydrophobicContact CB-CE1 3.64Å; H330-Y416 HydrophobicContact CB-CE2 4.07Å; H330-Y416 AromaticContact CG-CE2 3.84Å; H330-Y416 AromaticContact CG-CZ 3.72Å; H330-Y416 AromaticContact ND1-CE2 3.98Å; H413-Y416 HydrophobicContact CB-CD2 4.4Å; H413-Y416 HydrophobicContact CB-CE2 3.78Å; H413-Y416 PolarHBondContact CE1-OH 3.03Å; H413-Y416 AromaticContact CG-CE2 3.97Å; H413-Y416 AromaticContact ND1-CE2 3.39Å; H413-Y416 WeakPolarHBondContact ND1-CE2 3.49Å; H413-Y416 AromaticContact ND1-CZ 3.45Å; H413-Y416 PolarHBondContact ND1-OH 3.34Å
417	D	87.9	Confident	90.9	Very high	41 Å²	41	26.2 Å²	26.2	22%	0.219	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	157	168.3	-157.5	4	0	0	0	110.8	V329 P506 L509	V329-D417 PolarHBondContact N-O 2.98Å; V329-D417 PolarHBondContact O-N 3.11Å; V329-D417 VanDerWaalsContact O-N 3.09Å; D417-P506 WeakPolarHBondContact OD2-CG 3.4Å; D417-L509 HydrophobicContact CB-CD1 3.35Å
418	T	88.7	Confident	90.9	Very high	76 Å²	76	26.2 Å²	26.2	47%	0.466	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	117.3	-176.6	-55.6	0	0	0	0	110.7	G327 P420	G327-T418 CarbonylContact O-C 3.5Å; G327-T418 VanDerWaalsContact O-CA 3.32Å; G327-T418 WeakPolarHBondContact O-CA 3.41Å; T418-P420 WeakPolarHBondContact O-CD 3.29Å
419	L	87.7	Confident	90.8	Very high	6 Å²	6	32.8 Å²	32.8	3%	0.031	17%	0.168	C	C	.	.			trans	-78.2	118	168.6	-172.5	64.6	0	0	0	109.4	G327 K423 R424 L427 P506 M507	G327-L419 PolarHBondContact O-N 3.35Å; L419-K423 HydrophobicContact CD1-CB 3.74Å; L419-K423 HydrophobicContact CG-CB 4.12Å; L419-R424 HydrophobicContact CD2-CB 3.88Å; L419-R424 HydrophobicContact CD2-CG 4.45Å; L419-R424 HydrophobicContact CG-CB 4.09Å; L419-L427 HydrophobicContact CD2-CD2 3.97Å; L419-P506 HydrophobicContact CD1-CB 4.13Å; L419-M507 HydrophobicContact CD1-CG 3.96Å
420	P	87.9	Confident	90.7	Very high	69 Å²	69	32.8 Å²	32.8	45%	0.448	17%	0.168	S	C	.	.			trans	-54.3	144.6	179.3	-27.3	35.9	0	0	0	112.2	T418 D422 K423 R424	T418-P420 WeakPolarHBondContact O-CD 3.29Å; P420-D422 PolarHBondContact O-N 3.44Å; P420-K423 HydrophobicContact CB-CG 4.41Å; P420-K423 PolarHBondContact O-N 3.13Å; P420-R424 PolarHBondContact O-N 3.41Å
421	C	89.1	Confident	90.5	Very high	23 Å²	23	33.1 Å²	33.1	16%	0.155	17%	0.169	C	C	.	.	H	α-helix	trans	-49.9	-40.5	-173.7	-174.1	0	0	0	0	113.3	R424 K425	C421-R424 PolarHBondContact O-N 2.71Å; C421-R424 PolarHBondContact SG-NH2 3.45Å; C421-K425 WeakPolarHBondContact O-CB 3.28Å; C421-K425 WeakPolarHBondContact O-CG 3.38Å; C421-K425 PolarHBondContact O-N 3.33Å
422	D	89.5	Confident	90.4	Very high	104 Å²	104	33.1 Å²	33.1	56%	0.556	17%	0.168	S	C	*	.	H	α-helix	trans	-69.9	-44.1	-178.1	-52.7	-26.5	0	0	0	111.5	P420 K425 A426 F448	P420-D422 PolarHBondContact O-N 3.44Å; D422-K425 PolarHBondContact O-N 3.37Å; D422-A426 PolarHBondContact O-N 2.85Å; D422-F448 HydrophobicContact CB-CE1 3.79Å; D422-F448 HydrophobicContact CB-CZ 3.9Å
423	K	90.3	Very high	90.5	Very high	61 Å²	61	30.9 Å²	30.9	27%	0.265	16%	0.156	S	C	.	.	H	α-helix	trans	-66	-41.2	175.5	-61.4	-70.4	-176.6	171.7	0	110.7	L419 P420 K425 A426 L427 F448 L449	L419-K423 HydrophobicContact CD1-CB 3.74Å; L419-K423 HydrophobicContact CG-CB 4.12Å; P420-K423 HydrophobicContact CB-CG 4.41Å; P420-K423 PolarHBondContact O-N 3.13Å; K423-K425 PolarHBondContact O-N 3.23Å; K423-A426 WeakPolarHBondContact O-CB 3.27Å; K423-A426 PolarHBondContact O-N 3.37Å; K423-L427 PolarHBondContact O-N 3.33Å; K423-F448 HydrophobicContact CD-CD1 4.36Å; K423-F448 HydrophobicContact CD-CE1 4.34Å; K423-F448 PolarHBondContact NZ-O 2.98Å; K423-L449 HydrophobicContact CB-CD2 3.88Å; K423-L449 HydrophobicContact CD-CD2 3.84Å; K423-L449 HydrophobicContact CG-CD2 4.46Å; K423-L449 WeakPolarHBondContact O-CD2 3.48Å
424	R	91.8	Very high	90.3	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-58.7	-45.7	172.9	-178.5	-179.5	61.9	69.5	4	112	V323 F324 C325 L419 P420 C421 A426 L427 C428 G541 I544	V323-R424 WeakPolarHBondContact O-CD 3.12Å; V323-R424 WeakPolarHBondContact O-CG 3.42Å; F324-R424 WeakPolarHBondContact O-CD 3.46Å; F324-R424 PolarHBondContact O-NH1 3.27Å; C325-R424 PolarHBondContact O-NE 3.42Å; C325-R424 PolarHBondContact O-NH1 3.08Å; L419-R424 HydrophobicContact CD2-CB 3.88Å; L419-R424 HydrophobicContact CD2-CG 4.45Å; L419-R424 HydrophobicContact CG-CB 4.09Å; P420-R424 PolarHBondContact O-N 3.41Å; C421-R424 PolarHBondContact O-N 2.71Å; C421-R424 PolarHBondContact SG-NH2 3.45Å; R424-A426 VanDerWaalsContact C-N 3.35Å; R424-L427 WeakPolarHBondContact O-CB 3.49Å; R424-L427 PolarHBondContact O-N 2.94Å; R424-C428 PolarHBondContact O-N 3.45Å; R424-C428 PolarHBondContact O-SG 3.11Å; R424-G541 PolarHBondContact NH1-O 3.38Å; R424-I544 PolarHBondContact NH2-O 3.12Å
425	K	92.1	Very high	89.9	Confident	50 Å²	50	30.9 Å²	30.9	22%	0.217	16%	0.156	C	C	.	.	H	α-helix	trans	-64.6	-38.3	176.1	-77.6	175.7	176.8	174.3	0	112	C421 D422 K423 C428 R429 I544 T545	C421-K425 WeakPolarHBondContact O-CB 3.28Å; C421-K425 WeakPolarHBondContact O-CG 3.38Å; C421-K425 PolarHBondContact O-N 3.33Å; D422-K425 PolarHBondContact O-N 3.37Å; K423-K425 PolarHBondContact O-N 3.23Å; K425-C428 WeakPolarHBondContact O-CB 3.33Å; K425-C428 PolarHBondContact O-N 3.43Å; K425-R429 WeakPolarHBondContact O-CG 3.34Å; K425-R429 PolarHBondContact O-N 3.08Å; K425-I544 VanDerWaalsContact CE-O 3.3Å; K425-I544 WeakPolarHBondContact CE-O 3.28Å; K425-T545 PolarHBondContact NZ-OG1 2.94Å
426	A	93.3	Very high	89.7	Confident	5 Å²	5	34.5 Å²	34.5	4%	0.041	18%	0.175	C	C	.	.	H	α-helix	trans	-63.4	-41.2	172.9	0	0	0	0	0	111.8	D422 K423 R424 C428 R429 M430 F448 L449	D422-A426 PolarHBondContact O-N 2.85Å; K423-A426 WeakPolarHBondContact O-CB 3.27Å; K423-A426 PolarHBondContact O-N 3.37Å; R424-A426 VanDerWaalsContact C-N 3.35Å; A426-C428 PolarHBondContact O-N 2.9Å; A426-R429 CarbonylContact O-C 3.57Å; A426-R429 WeakPolarHBondContact O-CB 3.15Å; A426-R429 PolarHBondContact O-N 3.07Å; A426-R429 VanDerWaalsContact O-N 3.14Å; A426-M430 PolarHBondContact O-N 3.39Å; A426-F448 HydrophobicContact CB-CB 4.18Å; A426-F448 HydrophobicContact CB-CD1 3.46Å; A426-F448 VanDerWaalsContact CB-CD1 3.46Å; A426-F448 HydrophobicContact CB-CE1 4.26Å; A426-F448 HydrophobicContact CB-CG 4.15Å; A426-L449 HydrophobicContact CB-CD1 4.47Å; A426-L449 HydrophobicContact CB-CD2 3.95Å; A426-L449 HydrophobicContact CB-CG 3.95Å
427	L	92.7	Very high	89.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.8	-43.5	173.2	-177.2	63.7	0	0	0	112	V323 F324 L419 K423 R424 R429 M430 Y431 L449 I461 F510	V323-L427 HydrophobicContact CG1-CD2 3.82Å; F324-L427 HydrophobicContact CE1-CD2 4.29Å; F324-L427 HydrophobicContact CE1-CG 4.12Å; L419-L427 HydrophobicContact CD2-CD2 3.97Å; K423-L427 PolarHBondContact O-N 3.33Å; R424-L427 WeakPolarHBondContact O-CB 3.49Å; R424-L427 PolarHBondContact O-N 2.94Å; L427-R429 VanDerWaalsContact C-N 3.27Å; L427-R429 PolarHBondContact O-N 3.14Å; L427-M430 WeakPolarHBondContact O-CB 3.19Å; L427-M430 PolarHBondContact O-N 2.74Å; L427-Y431 HydrophobicContact CD1-CD2 4.1Å; L427-Y431 HydrophobicContact CD1-CE2 4.13Å; L427-Y431 HydrophobicContact CG-CD2 4.36Å; L427-Y431 PolarHBondContact O-N 3.49Å; L427-L449 HydrophobicContact CB-CD1 4.39Å; L427-L449 HydrophobicContact CD1-CD1 4.46Å; L427-I461 HydrophobicContact CD1-CD1 3.95Å; L427-F510 HydrophobicContact CD1-CD1 4.36Å; L427-F510 HydrophobicContact CD1-CE1 3.81Å; L427-F510 HydrophobicContact CD1-CZ 4.3Å; L427-F510 HydrophobicContact CD2-CD1 4.02Å; L427-F510 HydrophobicContact CD2-CD2 4.34Å; L427-F510 HydrophobicContact CD2-CE1 3.91Å; L427-F510 HydrophobicContact CD2-CE2 4.26Å; L427-F510 HydrophobicContact CD2-CG 4.19Å; L427-F510 HydrophobicContact CD2-CZ 3.99Å; L427-F510 HydrophobicContact CG-CE1 4.41Å
428	C	93.1	Very high	89.5	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59	-38.3	173.2	-67.3	0	0	0	0	112.3	R424 K425 A426 Q432 A538	R424-C428 PolarHBondContact O-N 3.45Å; R424-C428 PolarHBondContact O-SG 3.11Å; K425-C428 WeakPolarHBondContact O-CB 3.33Å; K425-C428 PolarHBondContact O-N 3.43Å; A426-C428 PolarHBondContact O-N 2.9Å; C428-Q432 WeakPolarHBondContact O-CG 2.97Å; C428-Q432 PolarHBondContact O-N 3.4Å; C428-Q432 VanDerWaalsContact O-N 3.15Å; C428-Q432 PolarHBondContact O-NE2 3.14Å; C428-A538 HydrophobicContact CB-CB 4.49Å; C428-A538 WeakPolarHBondContact CB-O 3.4Å; C428-A538 PolarHBondContact SG-O 2.94Å
429	R	93.8	Very high	89.7	Confident	139 Å²	139	38 Å²	38	53%	0.525	19%	0.193	S	C	.	.	H	α-helix	trans	-69.6	-42.1	175.7	-72.9	178	-175.6	174.3	2.4	111.6	K425 A426 L427 Y431 Q432 A433 A445	K425-R429 WeakPolarHBondContact O-CG 3.34Å; K425-R429 PolarHBondContact O-N 3.08Å; A426-R429 CarbonylContact O-C 3.57Å; A426-R429 WeakPolarHBondContact O-CB 3.15Å; A426-R429 PolarHBondContact O-N 3.07Å; A426-R429 VanDerWaalsContact O-N 3.14Å; L427-R429 VanDerWaalsContact C-N 3.27Å; L427-R429 PolarHBondContact O-N 3.14Å; R429-Y431 PolarHBondContact O-N 3.11Å; R429-Q432 PolarHBondContact O-N 3.47Å; R429-A433 VanDerWaalsContact O-CB 3.28Å; R429-A433 WeakPolarHBondContact O-CB 3.46Å; R429-A433 PolarHBondContact O-N 3.04Å; R429-A445 HydrophobicContact CB-CB 4.23Å
430	M	93.1	Very high	90.1	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-56.7	-49.5	175.3	-174.8	63.5	178.1	0	0	110.6	A426 L427 Q432 A433 I434 M442 A445 W454 F457 I461	A426-M430 PolarHBondContact O-N 3.39Å; L427-M430 WeakPolarHBondContact O-CB 3.19Å; L427-M430 PolarHBondContact O-N 2.74Å; M430-Q432 PolarHBondContact O-N 3.49Å; M430-A433 PolarHBondContact O-N 2.62Å; M430-I434 HydrophobicContact CE-CD1 4.13Å; M430-I434 HydrophobicContact CE-CG1 4.38Å; M430-I434 HydrophobicContact CG-CD1 4.04Å; M430-I434 WeakPolarHBondContact O-CB 3.33Å; M430-I434 VanDerWaalsContact O-CG1 3.25Å; M430-I434 WeakPolarHBondContact O-CG1 3.49Å; M430-I434 PolarHBondContact O-N 3.39Å; M430-M442 HydrophobicContact CE-CB 4.32Å; M430-M442 HydrophobicContact CE-CE 3.85Å; M430-M442 HydrophobicContact SD-CB 4.01Å; M430-M442 HydrophobicContact SD-CG 4.19Å; M430-A445 HydrophobicContact CB-CB 3.91Å; M430-A445 HydrophobicContact SD-CB 4.26Å; M430-W454 WeakPolarHBondContact CE-O 3.34Å; M430-F457 HydrophobicContact CE-CD1 3.64Å; M430-F457 HydrophobicContact CE-CE1 4.24Å; M430-F457 HydrophobicContact CE-CG 4.39Å; M430-F457 HydrophobicContact CG-CD1 4.45Å; M430-F457 HydrophobicContact CG-CE1 4.11Å; M430-F457 HydrophobicContact SD-CD1 4.37Å; M430-I461 HydrophobicContact CG-CD1 3.88Å
431	Y	90.4	Very high	90.3	Very high	7 Å²	7	40.5 Å²	40.5	3%	0.027	21%	0.211	C	C	.	.	H	α-helix	trans	-58.6	-45	176.1	-100.4	-96.9	0	0	0	113	F324 L427 R429 L435 I461 F510 L514 M534	F324-Y431 AromaticContact CE1-CD2 3.62Å; F324-Y431 HydrophobicContact CE1-CD2 3.62Å; F324-Y431 AromaticContact CE1-CE2 3.93Å; F324-Y431 HydrophobicContact CE1-CE2 3.93Å; F324-Y431 AromaticContact CE1-CG 3.93Å; F324-Y431 HydrophobicContact CE1-CG 3.93Å; F324-Y431 HydrophobicContact CZ-CD1 4.01Å; F324-Y431 AromaticContact CZ-CD2 3.71Å; F324-Y431 HydrophobicContact CZ-CD2 3.71Å; F324-Y431 AromaticContact CZ-CE1 3.98Å; F324-Y431 HydrophobicContact CZ-CE1 3.98Å; F324-Y431 AromaticContact CZ-CE2 3.67Å; F324-Y431 HydrophobicContact CZ-CE2 3.67Å; F324-Y431 AromaticContact CZ-CG 3.87Å; F324-Y431 HydrophobicContact CZ-CG 3.87Å; F324-Y431 AromaticContact CZ-CZ 3.81Å; L427-Y431 HydrophobicContact CD1-CD2 4.1Å; L427-Y431 HydrophobicContact CD1-CE2 4.13Å; L427-Y431 HydrophobicContact CG-CD2 4.36Å; L427-Y431 PolarHBondContact O-N 3.49Å; R429-Y431 PolarHBondContact O-N 3.11Å; Y431-L435 WeakPolarHBondContact O-CG 3.15Å; Y431-L435 PolarHBondContact O-N 3.04Å; Y431-I461 HydrophobicContact CD2-CG2 3.94Å; Y431-I461 HydrophobicContact CE1-CG2 4.16Å; Y431-I461 HydrophobicContact CE2-CG2 3.11Å; Y431-I461 VanDerWaalsContact OH-CG2 3.25Å; Y431-I461 WeakPolarHBondContact OH-CG2 3.45Å; Y431-F510 HydrophobicContact CE2-CE1 4.06Å; Y431-F510 AromaticContact CE2-CZ 3.55Å; Y431-F510 HydrophobicContact CE2-CZ 3.55Å; Y431-F510 AromaticContact CZ-CZ 3.89Å; Y431-F510 WeakPolarHBondContact OH-CZ 3.41Å; Y431-L514 VanDerWaalsContact OH-CD1 3.27Å; Y431-L514 WeakPolarHBondContact OH-CD1 3.4Å; Y431-M534 HydrophobicContact CE1-CB 4.22Å
432	Q	90.1	Very high	90.6	Very high	44 Å²	44	39.4 Å²	39.4	21%	0.206	20%	0.203	C	C	.	.	H	α-helix	trans	-64.9	-41.8	177.3	-75.1	169.1	77.5	0	0	111.8	C428 R429 M430 L435 D436 I539	C428-Q432 WeakPolarHBondContact O-CG 2.97Å; C428-Q432 PolarHBondContact O-N 3.4Å; C428-Q432 VanDerWaalsContact O-N 3.15Å; C428-Q432 PolarHBondContact O-NE2 3.14Å; R429-Q432 PolarHBondContact O-N 3.47Å; M430-Q432 PolarHBondContact O-N 3.49Å; Q432-L435 WeakPolarHBondContact O-CB 3.48Å; Q432-L435 PolarHBondContact O-N 3.02Å; Q432-L435 VanDerWaalsContact O-N 3.08Å; Q432-D436 PolarHBondContact O-N 3.4Å; Q432-D436 VanDerWaalsContact O-N 3.14Å; Q432-I539 HydrophobicContact CG-CG1 4.01Å
433	A	91.3	Very high	90.9	Very high	3 Å²	3	40.7 Å²	40.7	3%	0.025	20%	0.204	C	C	.	.	H	α-helix	trans	-65.8	-39.7	-179.4	0	0	0	0	0	112.6	R429 M430 L435 D436 S437 N438 T441 M442	R429-A433 VanDerWaalsContact O-CB 3.28Å; R429-A433 WeakPolarHBondContact O-CB 3.46Å; R429-A433 PolarHBondContact O-N 3.04Å; M430-A433 PolarHBondContact O-N 2.62Å; A433-L435 PolarHBondContact O-N 3.08Å; A433-D436 PolarHBondContact O-N 3.34Å; A433-S437 PolarHBondContact O-N 2.76Å; A433-N438 PolarHBondContact O-N 2.96Å; A433-T441 HydrophobicContact CB-CG2 3.74Å; A433-M442 HydrophobicContact CB-CB 4.43Å; A433-M442 HydrophobicContact CB-CG 3.56Å
434	I	88.3	Confident	91.1	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-55.7	-33	171.9	-75.8	167.2	0	0	0	111.4	M430 M442 I461 L462 W466 R468	M430-I434 HydrophobicContact CE-CD1 4.13Å; M430-I434 HydrophobicContact CE-CG1 4.38Å; M430-I434 HydrophobicContact CG-CD1 4.04Å; M430-I434 WeakPolarHBondContact O-CB 3.33Å; M430-I434 VanDerWaalsContact O-CG1 3.25Å; M430-I434 WeakPolarHBondContact O-CG1 3.49Å; M430-I434 PolarHBondContact O-N 3.39Å; I434-M442 HydrophobicContact CG1-CE 3.6Å; I434-M442 HydrophobicContact CG1-CG 4.24Å; I434-M442 HydrophobicContact CG1-SD 3.93Å; I434-I461 HydrophobicContact CD1-CG2 4.31Å; I434-L462 HydrophobicContact CD1-CG 4.43Å; I434-L462 HydrophobicContact CG2-CD1 3.26Å; I434-L462 HydrophobicContact CG2-CD2 4Å; I434-L462 HydrophobicContact CG2-CG 3.76Å; I434-W466 HydrophobicContact CG2-CB 4.28Å; I434-R468 PolarHBondContact O-NH1 2.83Å; I434-R468 PolarHBondContact O-NH2 3.32Å
435	L	79.8	Confident	91.2	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-78.2	-47	179.9	-58.4	164	0	0	0	113.5	Y431 Q432 A433 S437 R468 F471 L473 I535 Y570	Y431-L435 WeakPolarHBondContact O-CG 3.15Å; Y431-L435 PolarHBondContact O-N 3.04Å; Q432-L435 WeakPolarHBondContact O-CB 3.48Å; Q432-L435 PolarHBondContact O-N 3.02Å; Q432-L435 VanDerWaalsContact O-N 3.08Å; A433-L435 PolarHBondContact O-N 3.08Å; L435-S437 PolarHBondContact O-N 3.47Å; L435-S437 VanDerWaalsContact O-N 3.15Å; L435-R468 PolarHBondContact O-NH2 3.28Å; L435-F471 WeakPolarHBondContact O-CD1 3.05Å; L435-L473 HydrophobicContact CD2-CD1 3.72Å; L435-I535 HydrophobicContact CD1-CB 3.9Å; L435-I535 HydrophobicContact CD1-CD1 3.32Å; L435-I535 HydrophobicContact CD1-CG1 3.4Å; L435-I535 VanDerWaalsContact CD1-CG1 3.4Å; L435-I535 HydrophobicContact CD1-CG2 3.28Å; L435-I535 HydrophobicContact CD2-CD1 3.12Å; L435-I535 HydrophobicContact CD2-CG1 3.95Å; L435-I535 HydrophobicContact CG-CD1 3.66Å; L435-I535 HydrophobicContact CG-CG1 4.03Å; L435-Y570 HydrophobicContact CB-CE2 4.48Å; L435-Y570 HydrophobicContact CD1-CD2 4.39Å; L435-Y570 HydrophobicContact CD1-CE2 3.76Å
436	D	83.1	Confident	91.3	Very high	80 Å²	80	41.3 Å²	41.3	43%	0.428	21%	0.21	S	C	.	.	H	α-helix	trans	-72.1	-0.5	178	-72.7	-42.1	0	0	0	111.4	Q432 A433 N438 K573	Q432-D436 PolarHBondContact O-N 3.4Å; Q432-D436 VanDerWaalsContact O-N 3.14Å; A433-D436 PolarHBondContact O-N 3.34Å; D436-N438 HydrophobicContact CB-CB 4.31Å; D436-N438 PolarHBondContact O-N 2.79Å; D436-K573 IonicContact OD1-NZ 2.93Å; D436-K573 PolarHBondContact OD1-NZ 2.87Å
437	S	84.2	Confident	91.3	Very high	51 Å²	51	45.1 Å²	45.1	36%	0.357	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	37.5	-174	-55	0	0	0	0	111.5	A433 L435 E439	A433-S437 PolarHBondContact O-N 2.76Å; L435-S437 PolarHBondContact O-N 3.47Å; L435-S437 VanDerWaalsContact O-N 3.15Å; S437-E439 PolarHBondContact O-N 3.17Å
438	N	90.2	Very high	91.2	Very high	60 Å²	60	50.3 Å²	50.3	32%	0.321	26%	0.259	S	S	.	.			trans	-93.6	89.8	-175.3	-175.2	-17.3	0	0	0	110.1	A433 D436 S440 T441 M442	A433-N438 PolarHBondContact O-N 2.96Å; D436-N438 HydrophobicContact CB-CB 4.31Å; D436-N438 PolarHBondContact O-N 2.79Å; N438-S440 VanDerWaalsContact C-N 3.28Å; N438-S440 PolarHBondContact O-N 2.92Å; N438-S440 PolarHBondContact OD1-N 2.98Å; N438-S440 PolarHBondContact OD1-OG 2.91Å; N438-T441 VanDerWaalsContact CG-OG1 3.3Å; N438-T441 PolarHBondContact ND2-OG1 3.43Å; N438-T441 PolarHBondContact O-N 2.91Å; N438-T441 PolarHBondContact OD1-N 2.93Å; N438-T441 PolarHBondContact OD1-OG1 3.11Å; N438-M442 WeakPolarHBondContact O-CG 3.06Å; N438-M442 PolarHBondContact O-N 3.25Å
439	E	92.8	Very high	91.1	Very high	89 Å²	89	50.3 Å²	50.3	42%	0.416	26%	0.259	S	S	.	.	H	α-helix	trans	-58.3	-36.6	-177.6	-65.8	-167.5	169.1	0	0	113.3	S437 M442 K443 W454 W466 R467	S437-E439 PolarHBondContact O-N 3.17Å; E439-M442 PolarHBondContact O-N 2.8Å; E439-K443 WeakPolarHBondContact O-CB 3.2Å; E439-K443 PolarHBondContact O-N 3.13Å; E439-W454 HydrophobicContact CB-CH2 3.89Å; E439-W454 HydrophobicContact CB-CZ3 4.15Å; E439-W454 HydrophobicContact CG-CH2 3.83Å; E439-W454 HydrophobicContact CG-CZ3 4.05Å; E439-W466 HydrophobicContact CG-CH2 3.53Å; E439-W466 HydrophobicContact CG-CZ2 4.25Å; E439-W466 HydrophobicContact CG-CZ3 4.37Å; E439-W466 WeakPolarHBondContact OE1-CH2 3.36Å; E439-R467 IonicContact OE1-NE 3.47Å; E439-R467 IonicContact OE1-NH2 3.71Å
440	S	94.5	Very high	91	Very high	86 Å²	86	45.6 Å²	45.6	60%	0.601	25%	0.253	S	S	*	.	H	α-helix	trans	-67.3	-42.9	-178.7	68.5	0	0	0	0	111.6	N438 K443 E444	N438-S440 VanDerWaalsContact C-N 3.28Å; N438-S440 PolarHBondContact O-N 2.92Å; N438-S440 PolarHBondContact OD1-N 2.98Å; N438-S440 PolarHBondContact OD1-OG 2.91Å; S440-K443 PolarHBondContact O-N 2.72Å; S440-E444 PolarHBondContact O-N 3.36Å
441	T	93.7	Very high	90.8	Very high	40 Å²	40	45.7 Å²	45.7	25%	0.245	25%	0.254	C	S	.	.	H	α-helix	trans	-71	-33.1	175.5	-53.5	0	0	0	0	112	A433 N438 E444 A445	A433-T441 HydrophobicContact CB-CG2 3.74Å; N438-T441 VanDerWaalsContact CG-OG1 3.3Å; N438-T441 PolarHBondContact ND2-OG1 3.43Å; N438-T441 PolarHBondContact O-N 2.91Å; N438-T441 PolarHBondContact OD1-N 2.93Å; N438-T441 PolarHBondContact OD1-OG1 3.11Å; T441-E444 PolarHBondContact O-N 3.49Å; T441-A445 VanDerWaalsContact O-CB 3.26Å; T441-A445 WeakPolarHBondContact O-CB 3.48Å; T441-A445 PolarHBondContact O-N 3.19Å
442	M	94.1	Very high	90.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-61.5	-46.7	172	-71.9	177.9	63.4	0	0	111.1	M430 A433 I434 N438 E439 E444 A445 S446 W454 W466	M430-M442 HydrophobicContact CE-CB 4.32Å; M430-M442 HydrophobicContact CE-CE 3.85Å; M430-M442 HydrophobicContact SD-CB 4.01Å; M430-M442 HydrophobicContact SD-CG 4.19Å; A433-M442 HydrophobicContact CB-CB 4.43Å; A433-M442 HydrophobicContact CB-CG 3.56Å; I434-M442 HydrophobicContact CG1-CE 3.6Å; I434-M442 HydrophobicContact CG1-CG 4.24Å; I434-M442 HydrophobicContact CG1-SD 3.93Å; N438-M442 WeakPolarHBondContact O-CG 3.06Å; N438-M442 PolarHBondContact O-N 3.25Å; E439-M442 PolarHBondContact O-N 2.8Å; M442-E444 PolarHBondContact O-N 2.91Å; M442-A445 PolarHBondContact O-N 2.99Å; M442-S446 WeakPolarHBondContact O-CB 3.5Å; M442-S446 PolarHBondContact O-N 2.93Å; M442-W454 HydrophobicContact CB-CE3 3.95Å; M442-W454 HydrophobicContact CB-CZ3 4.44Å; M442-W454 HydrophobicContact CE-CE3 4.06Å; M442-W454 HydrophobicContact CE-CZ3 4.23Å; M442-W454 HydrophobicContact SD-CZ3 4.5Å; M442-W466 HydrophobicContact CE-CD2 3.65Å; M442-W466 HydrophobicContact CE-CE3 4.03Å; M442-W466 HydrophobicContact CE-CG 3.98Å; M442-W466 HydrophobicContact CE-CZ2 4.24Å; M442-W466 HydrophobicContact CE-CZ3 4.49Å; M442-W466 HydrophobicContact SD-CD2 4.05Å; M442-W466 HydrophobicContact SD-CE3 3.78Å; M442-W466 HydrophobicContact SD-CH2 4.17Å; M442-W466 HydrophobicContact SD-CZ2 4.37Å; M442-W466 HydrophobicContact SD-CZ3 3.85Å
443	K	95.4	Very high	90.9	Very high	131 Å²	131	52.7 Å²	52.7	57%	0.57	29%	0.288	S	S	*	.	H	α-helix	trans	-60.7	-45.5	177.5	-174.2	176	-179.4	178.8	0	112.2	E439 S440 S447 W454	E439-K443 WeakPolarHBondContact O-CB 3.2Å; E439-K443 PolarHBondContact O-N 3.13Å; S440-K443 PolarHBondContact O-N 2.72Å; K443-S447 VanDerWaalsContact O-CB 3.31Å; K443-S447 WeakPolarHBondContact O-CB 3.4Å; K443-S447 PolarHBondContact O-N 2.88Å; K443-W454 HydrophobicContact CB-CD2 4.35Å; K443-W454 HydrophobicContact CB-CG 4.09Å; K443-W454 HydrophobicContact CG-CG 4.33Å
444	E	94.9	Very high	90.9	Very high	121 Å²	121	54.8 Å²	54.8	57%	0.565	30%	0.295	S	S	*	.	H	α-helix	trans	-61.7	-48.8	177.1	-172	-167.6	159	0	0	111.7	S440 T441 M442 S447 F448	S440-E444 PolarHBondContact O-N 3.36Å; T441-E444 PolarHBondContact O-N 3.49Å; M442-E444 PolarHBondContact O-N 2.91Å; E444-S447 PolarHBondContact O-N 3.35Å; E444-F448 PolarHBondContact O-N 3.29Å
445	A	93.9	Very high	91.1	Very high	5 Å²	5	55.1 Å²	55.1	4%	0.041	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-41.5	-178.8	0	0	0	0	0	112.3	R429 M430 T441 M442 F448 L449	R429-A445 HydrophobicContact CB-CB 4.23Å; M430-A445 HydrophobicContact CB-CB 3.91Å; M430-A445 HydrophobicContact SD-CB 4.26Å; T441-A445 VanDerWaalsContact O-CB 3.26Å; T441-A445 WeakPolarHBondContact O-CB 3.48Å; T441-A445 PolarHBondContact O-N 3.19Å; M442-A445 PolarHBondContact O-N 2.99Å; A445-F448 PolarHBondContact O-N 2.78Å; A445-L449 WeakPolarHBondContact O-CG 3.02Å; A445-L449 PolarHBondContact O-N 3.28Å; A445-L449 VanDerWaalsContact O-N 3.11Å
446	S	93.7	Very high	91.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-63.2	-46.3	176.1	-172.4	0	0	0	0	112	M442 F448 L449 G450 V451 W454 F457	M442-S446 WeakPolarHBondContact O-CB 3.5Å; M442-S446 PolarHBondContact O-N 2.93Å; S446-F448 VanDerWaalsContact C-N 3.32Å; S446-F448 PolarHBondContact O-N 3.36Å; S446-L449 CarbonylContact O-C 3.54Å; S446-L449 WeakPolarHBondContact O-CA 3.33Å; S446-L449 WeakPolarHBondContact O-CB 3.46Å; S446-L449 PolarHBondContact O-N 2.86Å; S446-G450 PolarHBondContact O-N 2.82Å; S446-G450 VanDerWaalsContact O-N 3.1Å; S446-V451 CarbonylContact C-O 3.55Å; S446-V451 VanDerWaalsContact C-O 3.26Å; S446-V451 PolarHBondContact O-N 3.23Å; S446-V451 PolarHBondContact OG-O 3.23Å; S446-W454 VanDerWaalsContact OG-CA 3.28Å; S446-W454 WeakPolarHBondContact OG-CA 3.5Å; S446-W454 WeakPolarHBondContact OG-CB 3.43Å; S446-F457 WeakPolarHBondContact OG-CD1 3.45Å
447	S	93.3	Very high	91.8	Very high	84 Å²	84	51.1 Å²	51.1	59%	0.587	28%	0.276	S	S	*	.	H	α-helix	trans	-61.6	-40.5	176.9	177.9	0	0	0	0	111.6	K443 E444 L449 G450	K443-S447 VanDerWaalsContact O-CB 3.31Å; K443-S447 WeakPolarHBondContact O-CB 3.4Å; K443-S447 PolarHBondContact O-N 2.88Å; E444-S447 PolarHBondContact O-N 3.35Å; S447-L449 PolarHBondContact O-N 3.05Å; S447-G450 PolarHBondContact O-N 3.39Å
448	F	92.1	Very high	92	Very high	110 Å²	110	48.7 Å²	48.7	48%	0.482	26%	0.259	S	S	.	.	H	α-helix	trans	-63.4	-28.6	174	-165.7	-88.5	0	0	0	112.7	D422 K423 A426 E444 A445 S446 G450	D422-F448 HydrophobicContact CB-CE1 3.79Å; D422-F448 HydrophobicContact CB-CZ 3.9Å; K423-F448 HydrophobicContact CD-CD1 4.36Å; K423-F448 HydrophobicContact CD-CE1 4.34Å; K423-F448 PolarHBondContact NZ-O 2.98Å; A426-F448 HydrophobicContact CB-CB 4.18Å; A426-F448 HydrophobicContact CB-CD1 3.46Å; A426-F448 VanDerWaalsContact CB-CD1 3.46Å; A426-F448 HydrophobicContact CB-CE1 4.26Å; A426-F448 HydrophobicContact CB-CG 4.15Å; E444-F448 PolarHBondContact O-N 3.29Å; A445-F448 PolarHBondContact O-N 2.78Å; S446-F448 VanDerWaalsContact C-N 3.32Å; S446-F448 PolarHBondContact O-N 3.36Å; F448-G450 VanDerWaalsContact C-N 3.29Å
449	L	91.4	Very high	91.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-79.8	-10.2	173.7	-70.2	172	0	0	0	113	K423 A426 L427 A445 S446 S447 F457 P504 M507	K423-L449 HydrophobicContact CB-CD2 3.88Å; K423-L449 HydrophobicContact CD-CD2 3.84Å; K423-L449 HydrophobicContact CG-CD2 4.46Å; K423-L449 WeakPolarHBondContact O-CD2 3.48Å; A426-L449 HydrophobicContact CB-CD1 4.47Å; A426-L449 HydrophobicContact CB-CD2 3.95Å; A426-L449 HydrophobicContact CB-CG 3.95Å; L427-L449 HydrophobicContact CB-CD1 4.39Å; L427-L449 HydrophobicContact CD1-CD1 4.46Å; A445-L449 WeakPolarHBondContact O-CG 3.02Å; A445-L449 PolarHBondContact O-N 3.28Å; A445-L449 VanDerWaalsContact O-N 3.11Å; S446-L449 CarbonylContact O-C 3.54Å; S446-L449 WeakPolarHBondContact O-CA 3.33Å; S446-L449 WeakPolarHBondContact O-CB 3.46Å; S446-L449 PolarHBondContact O-N 2.86Å; S447-L449 PolarHBondContact O-N 3.05Å; L449-F457 HydrophobicContact CD1-CE1 3.65Å; L449-F457 HydrophobicContact CD1-CZ 3.82Å; L449-P504 WeakPolarHBondContact O-CD 3.37Å; L449-P504 WeakPolarHBondContact O-CG 3.32Å; L449-M507 HydrophobicContact CB-CE 4.17Å; L449-M507 HydrophobicContact CB-SD 4.06Å; L449-M507 HydrophobicContact CD1-CE 4.38Å; L449-M507 HydrophobicContact CD1-SD 3.87Å; L449-M507 HydrophobicContact CD2-SD 3.51Å; L449-M507 VanDerWaalsContact CD2-SD 3.51Å; L449-M507 HydrophobicContact CG-SD 3.99Å
450	G	90.2	Very high	91.4	Very high	40 Å²	40	42.8 Å²	42.8	41%	0.412	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.7	10.5	179.8	0	0	0	0	0	114	S446 S447 F448	S446-G450 PolarHBondContact O-N 2.82Å; S446-G450 VanDerWaalsContact O-N 3.1Å; S447-G450 PolarHBondContact O-N 3.39Å; F448-G450 VanDerWaalsContact C-N 3.29Å
451	V	90.1	Very high	91	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	20%	0.203	C	C	.	.			trans	-109.4	120	-177	-177.9	0	0	0	0	110.2	S446 F457 V499 Q502 M503 M507	S446-V451 CarbonylContact C-O 3.55Å; S446-V451 VanDerWaalsContact C-O 3.26Å; S446-V451 PolarHBondContact O-N 3.23Å; S446-V451 PolarHBondContact OG-O 3.23Å; V451-F457 HydrophobicContact CB-CD1 4.38Å; V451-F457 HydrophobicContact CB-CG 4.33Å; V451-F457 HydrophobicContact CG1-CB 3.8Å; V451-F457 HydrophobicContact CG1-CD1 4.45Å; V451-F457 HydrophobicContact CG1-CD2 4.42Å; V451-F457 HydrophobicContact CG1-CG 3.98Å; V451-F457 HydrophobicContact CG2-CD2 4.41Å; V451-F457 HydrophobicContact CG2-CG 4.48Å; V451-V499 HydrophobicContact CG1-CB 4.29Å; V451-V499 HydrophobicContact CG1-CG1 3.86Å; V451-V499 HydrophobicContact CG1-CG2 3.93Å; V451-Q502 HydrophobicContact CG2-CB 4.44Å; V451-M503 HydrophobicContact CG2-CB 4.46Å; V451-M503 HydrophobicContact CG2-CG 3.54Å; V451-M507 HydrophobicContact CG2-CE 4.46Å
452	E	90.7	Very high	90.5	Very high	162 Å²	162	37.1 Å²	37.1	76%	0.757	19%	0.192	S	C	*	.	S	Bend	trans	-77.9	-44.1	-178.3	-64.2	-172.1	169.4	0	0	112.6	W454	E452-W454 PolarHBondContact O-N 2.85Å
453	D	90.8	Very high	89.8	Confident	36 Å²	36	38.8 Å²	38.8	19%	0.193	20%	0.2	C	C	.	.			trans	-79.8	73	177.5	-170.6	-6.7	0	0	0	111.2	S455 T456 F457 R495 V499	D453-S455 PolarHBondContact O-N 3.5Å; D453-S455 PolarHBondContact OD1-N 2.95Å; D453-T456 VanDerWaalsContact CG-CB 3.47Å; D453-T456 PolarHBondContact O-N 3.2Å; D453-T456 PolarHBondContact OD1-N 3.43Å; D453-T456 PolarHBondContact OD1-OG1 3.15Å; D453-T456 VanDerWaalsContact OD2-CB 3.27Å; D453-T456 WeakPolarHBondContact OD2-CB 3.38Å; D453-T456 PolarHBondContact OD2-OG1 3.33Å; D453-F457 VanDerWaalsContact O-CB 3.31Å; D453-F457 WeakPolarHBondContact O-CB 3.35Å; D453-F457 PolarHBondContact O-N 2.96Å; D453-R495 VanDerWaalsContact CG-NH2 3.34Å; D453-R495 IonicContact OD1-NH2 2.7Å; D453-R495 PolarHBondContact OD1-NH2 2.68Å; D453-R495 VanDerWaalsContact OD1-NH2 3.07Å; D453-R495 IonicContact OD2-CZ 3.67Å; D453-R495 VanDerWaalsContact OD2-CZ 3.25Å; D453-R495 IonicContact OD2-NE 3.95Å; D453-R495 PolarHBondContact OD2-NE 2.96Å; D453-R495 IonicContact OD2-NH2 3.1Å; D453-R495 PolarHBondContact OD2-NH2 3.47Å; D453-V499 HydrophobicContact CB-CG2 3.83Å
454	W	92.5	Very high	89.1	Confident	46 Å²	46	33.3 Å²	33.3	17%	0.174	18%	0.176	C	C	.	.	H	α-helix	trans	-59	-26.5	-179.7	62.1	-90.5	0	0	0	113.8	M430 E439 M442 K443 S446 E452 G458 W466	M430-W454 WeakPolarHBondContact CE-O 3.34Å; E439-W454 HydrophobicContact CB-CH2 3.89Å; E439-W454 HydrophobicContact CB-CZ3 4.15Å; E439-W454 HydrophobicContact CG-CH2 3.83Å; E439-W454 HydrophobicContact CG-CZ3 4.05Å; M442-W454 HydrophobicContact CB-CE3 3.95Å; M442-W454 HydrophobicContact CB-CZ3 4.44Å; M442-W454 HydrophobicContact CE-CE3 4.06Å; M442-W454 HydrophobicContact CE-CZ3 4.23Å; M442-W454 HydrophobicContact SD-CZ3 4.5Å; K443-W454 HydrophobicContact CB-CD2 4.35Å; K443-W454 HydrophobicContact CB-CG 4.09Å; K443-W454 HydrophobicContact CG-CG 4.33Å; S446-W454 VanDerWaalsContact OG-CA 3.28Å; S446-W454 WeakPolarHBondContact OG-CA 3.5Å; S446-W454 WeakPolarHBondContact OG-CB 3.43Å; E452-W454 PolarHBondContact O-N 2.85Å; W454-G458 PolarHBondContact O-N 3.04Å; W454-W466 HydrophobicContact CH2-CZ2 4.09Å; W454-W466 HydrophobicContact CZ3-CH2 4.2Å; W454-W466 AromaticContact CZ3-CZ2 3.55Å; W454-W466 HydrophobicContact CZ3-CZ2 3.55Å
455	S	90.9	Very high	88.5	Confident	9 Å²	9	28.3 Å²	28.3	6%	0.063	15%	0.154	C	C	.	.	H	α-helix	trans	-74.2	-53.1	179.3	-176.5	0	0	0	0	110.1	D453 F457 G458 E459 W466	D453-S455 PolarHBondContact O-N 3.5Å; D453-S455 PolarHBondContact OD1-N 2.95Å; S455-F457 PolarHBondContact O-N 3.39Å; S455-G458 PolarHBondContact O-N 3.42Å; S455-G458 VanDerWaalsContact O-N 3.15Å; S455-E459 PolarHBondContact O-N 3.49Å; S455-E459 VanDerWaalsContact O-N 3.13Å; S455-W466 PolarHBondContact OG-NE1 2.94Å
456	T	88.3	Confident	87.9	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.6	-37.7	175.9	-58.2	0	0	0	0	110.4	D453 G458 E459 V460 R495 V496 V499	D453-T456 VanDerWaalsContact CG-CB 3.47Å; D453-T456 PolarHBondContact O-N 3.2Å; D453-T456 PolarHBondContact OD1-N 3.43Å; D453-T456 PolarHBondContact OD1-OG1 3.15Å; D453-T456 VanDerWaalsContact OD2-CB 3.27Å; D453-T456 WeakPolarHBondContact OD2-CB 3.38Å; D453-T456 PolarHBondContact OD2-OG1 3.33Å; T456-G458 VanDerWaalsContact C-N 3.34Å; T456-G458 PolarHBondContact O-N 3.36Å; T456-E459 CarbonylContact O-C 3.59Å; T456-E459 WeakPolarHBondContact O-CA 3.34Å; T456-E459 WeakPolarHBondContact O-CB 3.37Å; T456-E459 PolarHBondContact O-N 2.82Å; T456-E459 VanDerWaalsContact O-N 3.08Å; T456-V460 HydrophobicContact CG2-CG2 4.3Å; T456-V460 WeakPolarHBondContact O-CG2 3.49Å; T456-V460 PolarHBondContact O-N 3.24Å; T456-R495 HydrophobicContact CG2-CB 4.1Å; T456-R495 VanDerWaalsContact OG1-CZ 3.28Å; T456-R495 PolarHBondContact OG1-NE 2.8Å; T456-R495 PolarHBondContact OG1-NH2 3.42Å; T456-R495 VanDerWaalsContact OG1-NH2 3.08Å; T456-V496 HydrophobicContact CG2-CB 4.49Å; T456-V496 HydrophobicContact CG2-CG2 3.7Å; T456-V499 HydrophobicContact CG2-CG2 3.93Å
457	F	90	Very high	87.4	Confident	1 Å²	1	34.3 Å²	34.3	0%	0.004	18%	0.176	C	C	.	.	H	α-helix	trans	-59.9	-41.7	174.8	-175.1	-133.4	0	0	0	113.2	M430 S446 L449 V451 D453 S455 E459 V460 I461 V499 M503 M507	M430-F457 HydrophobicContact CE-CD1 3.64Å; M430-F457 HydrophobicContact CE-CE1 4.24Å; M430-F457 HydrophobicContact CE-CG 4.39Å; M430-F457 HydrophobicContact CG-CD1 4.45Å; M430-F457 HydrophobicContact CG-CE1 4.11Å; M430-F457 HydrophobicContact SD-CD1 4.37Å; S446-F457 WeakPolarHBondContact OG-CD1 3.45Å; L449-F457 HydrophobicContact CD1-CE1 3.65Å; L449-F457 HydrophobicContact CD1-CZ 3.82Å; V451-F457 HydrophobicContact CB-CD1 4.38Å; V451-F457 HydrophobicContact CB-CG 4.33Å; V451-F457 HydrophobicContact CG1-CB 3.8Å; V451-F457 HydrophobicContact CG1-CD1 4.45Å; V451-F457 HydrophobicContact CG1-CD2 4.42Å; V451-F457 HydrophobicContact CG1-CG 3.98Å; V451-F457 HydrophobicContact CG2-CD2 4.41Å; V451-F457 HydrophobicContact CG2-CG 4.48Å; D453-F457 VanDerWaalsContact O-CB 3.31Å; D453-F457 WeakPolarHBondContact O-CB 3.35Å; D453-F457 PolarHBondContact O-N 2.96Å; S455-F457 PolarHBondContact O-N 3.39Å; F457-E459 VanDerWaalsContact C-N 3.31Å; F457-E459 PolarHBondContact O-N 3.14Å; F457-V460 PolarHBondContact O-N 3.4Å; F457-I461 HydrophobicContact CD1-CD1 4.07Å; F457-I461 HydrophobicContact CD2-CD1 4.08Å; F457-I461 HydrophobicContact CD2-CG1 4.19Å; F457-I461 HydrophobicContact CE1-CD1 3.57Å; F457-I461 HydrophobicContact CE2-CD1 3.56Å; F457-I461 HydrophobicContact CE2-CG1 3.8Å; F457-I461 HydrophobicContact CG-CD1 4.3Å; F457-I461 HydrophobicContact CZ-CD1 3.31Å; F457-I461 HydrophobicContact CZ-CG1 4.08Å; F457-I461 WeakPolarHBondContact O-CB 3.41Å; F457-I461 WeakPolarHBondContact O-CG1 3.31Å; F457-I461 PolarHBondContact O-N 3.04Å; F457-V499 HydrophobicContact CB-CG1 4.08Å; F457-V499 HydrophobicContact CD2-CG1 3.87Å; F457-V499 HydrophobicContact CG-CG1 4.37Å; F457-M503 HydrophobicContact CD2-SD 3.98Å; F457-M503 HydrophobicContact CE2-CG 4.15Å; F457-M503 HydrophobicContact CE2-SD 3.41Å; F457-M503 WeakPolarHBondContact CE2-SD 3.48Å; F457-M503 HydrophobicContact CZ-SD 4.37Å; F457-M507 HydrophobicContact CE1-CE 4.46Å; F457-M507 HydrophobicContact CE2-CE 3.65Å; F457-M507 HydrophobicContact CZ-CE 3.4Å; F457-M507 VanDerWaalsContact CZ-CE 3.4Å; F457-M507 HydrophobicContact CZ-SD 4.32Å
458	G	89.3	Confident	86.7	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-61	-38.9	172.5	0	0	0	0	0	113	W454 S455 T456 L462	W454-G458 PolarHBondContact O-N 3.04Å; S455-G458 PolarHBondContact O-N 3.42Å; S455-G458 VanDerWaalsContact O-N 3.15Å; T456-G458 VanDerWaalsContact C-N 3.34Å; T456-G458 PolarHBondContact O-N 3.36Å; G458-L462 PolarHBondContact O-N 3.38Å
459	E	86.1	Confident	85.6	Confident	10 Å²	10	39.5 Å²	39.5	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-69.3	-38	175.8	-61.8	-176.2	159.5	0	0	112.4	S455 T456 F457 Q463 R464 Y484 H492	S455-E459 PolarHBondContact O-N 3.49Å; S455-E459 VanDerWaalsContact O-N 3.13Å; T456-E459 CarbonylContact O-C 3.59Å; T456-E459 WeakPolarHBondContact O-CA 3.34Å; T456-E459 WeakPolarHBondContact O-CB 3.37Å; T456-E459 PolarHBondContact O-N 2.82Å; T456-E459 VanDerWaalsContact O-N 3.08Å; F457-E459 VanDerWaalsContact C-N 3.31Å; F457-E459 PolarHBondContact O-N 3.14Å; E459-Q463 WeakPolarHBondContact O-CA 3.07Å; E459-Q463 PolarHBondContact O-N 2.94Å; E459-R464 WeakPolarHBondContact CA-O 3.25Å; E459-R464 PolarHBondContact O-N 2.86Å; E459-Y484 PolarHBondContact OE1-OH 3.09Å; E459-H492 IonicContact OE2-CE1 2.62Å; E459-H492 PolarHBondContact OE2-CE1 2.85Å; E459-H492 IonicContact OE2-ND1 2.81Å; E459-H492 PolarHBondContact OE2-ND1 3.39Å
460	V	83.5	Confident	84.6	Confident	16 Å²	16	42.1 Å²	42.1	10%	0.097	20%	0.195	C	C	.	.	H	α-helix	trans	-64.8	-44.4	174.9	170	0	0	0	0	110.9	T456 F457 Q463 V496 L500 I511	T456-V460 HydrophobicContact CG2-CG2 4.3Å; T456-V460 WeakPolarHBondContact O-CG2 3.49Å; T456-V460 PolarHBondContact O-N 3.24Å; F457-V460 PolarHBondContact O-N 3.4Å; V460-Q463 WeakPolarHBondContact O-CG 3.4Å; V460-Q463 PolarHBondContact O-N 3.36Å; V460-V496 HydrophobicContact CG2-CB 4.4Å; V460-V496 HydrophobicContact CG2-CG1 3.95Å; V460-V496 HydrophobicContact CG2-CG2 3.83Å; V460-L500 HydrophobicContact CG1-CD2 4.34Å; V460-I511 HydrophobicContact CG1-CD1 3.9Å; V460-I511 HydrophobicContact CG1-CG1 4.23Å
461	I	86	Confident	83.7	Confident	3 Å²	3	43.8 Å²	43.8	2%	0.015	19%	0.191	C	C	.	.	H	α-helix	trans	-64.2	-49.3	178.2	-75.3	175.8	0	0	0	111.7	L427 M430 Y431 I434 F457 Q463 F510 I511 L514	L427-I461 HydrophobicContact CD1-CD1 3.95Å; M430-I461 HydrophobicContact CG-CD1 3.88Å; Y431-I461 HydrophobicContact CD2-CG2 3.94Å; Y431-I461 HydrophobicContact CE1-CG2 4.16Å; Y431-I461 HydrophobicContact CE2-CG2 3.11Å; Y431-I461 VanDerWaalsContact OH-CG2 3.25Å; Y431-I461 WeakPolarHBondContact OH-CG2 3.45Å; I434-I461 HydrophobicContact CD1-CG2 4.31Å; F457-I461 HydrophobicContact CD1-CD1 4.07Å; F457-I461 HydrophobicContact CD2-CD1 4.08Å; F457-I461 HydrophobicContact CD2-CG1 4.19Å; F457-I461 HydrophobicContact CE1-CD1 3.57Å; F457-I461 HydrophobicContact CE2-CD1 3.56Å; F457-I461 HydrophobicContact CE2-CG1 3.8Å; F457-I461 HydrophobicContact CG-CD1 4.3Å; F457-I461 HydrophobicContact CZ-CD1 3.31Å; F457-I461 HydrophobicContact CZ-CG1 4.08Å; F457-I461 WeakPolarHBondContact O-CB 3.41Å; F457-I461 WeakPolarHBondContact O-CG1 3.31Å; F457-I461 PolarHBondContact O-N 3.04Å; I461-Q463 VanDerWaalsContact C-N 3.3Å; I461-F510 HydrophobicContact CG1-CE1 4.38Å; I461-I511 HydrophobicContact CG1-CD1 4.26Å; I461-L514 WeakPolarHBondContact O-CD1 3.48Å
462	L	83.7	Confident	82.7	Confident	4 Å²	4	49.2 Å²	49.2	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-79.5	-17.5	-180	-71.1	-173.5	0	0	0	113.2	I434 G458 R464 W466 L473	I434-L462 HydrophobicContact CD1-CG 4.43Å; I434-L462 HydrophobicContact CG2-CD1 3.26Å; I434-L462 HydrophobicContact CG2-CD2 4Å; I434-L462 HydrophobicContact CG2-CG 3.76Å; G458-L462 PolarHBondContact O-N 3.38Å; L462-R464 HydrophobicContact CB-CG 3.9Å; L462-R464 PolarHBondContact O-N 3.12Å; L462-W466 HydrophobicContact CD1-CB 3.69Å; L462-L473 HydrophobicContact CD1-CD1 4.41Å; L462-L473 HydrophobicContact CD1-CD2 4.32Å; L462-L473 HydrophobicContact CD2-CD1 4.29Å
463	Q	78.4	Confident	81.9	Confident	34 Å²	34	41.7 Å²	41.7	16%	0.159	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	36.6	-172.1	-51.6	174.1	4.8	0	0	113.3	E459 V460 I461 N515 R518	E459-Q463 WeakPolarHBondContact O-CA 3.07Å; E459-Q463 PolarHBondContact O-N 2.94Å; V460-Q463 WeakPolarHBondContact O-CG 3.4Å; V460-Q463 PolarHBondContact O-N 3.36Å; I461-Q463 VanDerWaalsContact C-N 3.3Å; Q463-N515 PolarHBondContact NE2-OD1 3.27Å; Q463-N515 PolarHBondContact OE1-OD1 3.15Å; Q463-R518 PolarHBondContact O-NH1 3.22Å; Q463-R518 VanDerWaalsContact O-NH1 3.17Å
464	R	81.7	Confident	81.1	Confident	16 Å²	16	42.9 Å²	42.9	6%	0.06	19%	0.186	C	C	.	.	S	Bend	trans	-165.6	166.6	178.3	73.7	-175.9	-53.3	173.6	15.7	109.2	E459 L462 W466 P474 Q476 L477 D481	E459-R464 WeakPolarHBondContact CA-O 3.25Å; E459-R464 PolarHBondContact O-N 2.86Å; L462-R464 HydrophobicContact CB-CG 3.9Å; L462-R464 PolarHBondContact O-N 3.12Å; R464-W466 PolarHBondContact O-N 3.08Å; R464-P474 PolarHBondContact NH1-O 2.95Å; R464-Q476 PolarHBondContact NH2-O 3.21Å; R464-Q476 VanDerWaalsContact NH2-O 3.08Å; R464-L477 HydrophobicContact CB-CD2 3.42Å; R464-L477 VanDerWaalsContact CB-CD2 3.42Å; R464-D481 IonicContact CZ-OD2 3.16Å; R464-D481 IonicContact NE-OD2 3.42Å; R464-D481 IonicContact NH2-OD2 3.25Å; R464-D481 PolarHBondContact NH2-OD2 3.26Å
465	P	81.7	Confident	80.1	Confident	16 Å²	16	41.7 Å²	41.7	10%	0.104	18%	0.184	C	C	.	.			trans	-57.5	124.2	171.9	-23.7	36.1	0	0	0	110.8	D481 Y484	P465-D481 HydrophobicContact CG-CB 4.41Å; P465-Y484 HydrophobicContact CB-CD1 4.27Å; P465-Y484 HydrophobicContact CB-CE1 4.24Å; P465-Y484 HydrophobicContact CG-CD1 3.42Å; P465-Y484 VanDerWaalsContact CG-CD1 3.42Å; P465-Y484 HydrophobicContact CG-CE1 3.78Å; P465-Y484 HydrophobicContact CG-CG 4.16Å
466	W	82.6	Confident	79.4	Confident	4 Å²	4	47.1 Å²	47.1	2%	0.015	21%	0.209	C	C	.	.			trans	-78.7	-30.4	179.5	71.5	-97.5	0	0	0	111.7	I434 E439 M442 W454 S455 L462 R464 R468	I434-W466 HydrophobicContact CG2-CB 4.28Å; E439-W466 HydrophobicContact CG-CH2 3.53Å; E439-W466 HydrophobicContact CG-CZ2 4.25Å; E439-W466 HydrophobicContact CG-CZ3 4.37Å; E439-W466 WeakPolarHBondContact OE1-CH2 3.36Å; M442-W466 HydrophobicContact CE-CD2 3.65Å; M442-W466 HydrophobicContact CE-CE3 4.03Å; M442-W466 HydrophobicContact CE-CG 3.98Å; M442-W466 HydrophobicContact CE-CZ2 4.24Å; M442-W466 HydrophobicContact CE-CZ3 4.49Å; M442-W466 HydrophobicContact SD-CD2 4.05Å; M442-W466 HydrophobicContact SD-CE3 3.78Å; M442-W466 HydrophobicContact SD-CH2 4.17Å; M442-W466 HydrophobicContact SD-CZ2 4.37Å; M442-W466 HydrophobicContact SD-CZ3 3.85Å; W454-W466 HydrophobicContact CH2-CZ2 4.09Å; W454-W466 HydrophobicContact CZ3-CH2 4.2Å; W454-W466 AromaticContact CZ3-CZ2 3.55Å; W454-W466 HydrophobicContact CZ3-CZ2 3.55Å; S455-W466 PolarHBondContact OG-NE1 2.94Å; L462-W466 HydrophobicContact CD1-CB 3.69Å; R464-W466 PolarHBondContact O-N 3.08Å; W466-R468 WeakPolarHBondContact O-CG 3.43Å; W466-R468 PolarHBondContact O-N 2.75Å; W466-R468 PolarHBondContact O-NH1 3.22Å
467	R	82.7	Confident	78.9	Confident	128 Å²	128	49 Å²	49	48%	0.483	22%	0.219	S	C	.	.			trans	-67.5	121.3	174.7	-69.3	-169.6	-179.1	104.2	0.6	109.8	E439	E439-R467 IonicContact OE1-NE 3.47Å; E439-R467 IonicContact OE1-NH2 3.71Å
468	R	78.1	Confident	78.4	Confident	54 Å²	54	51.5 Å²	51.5	20%	0.204	24%	0.236	C	C	.	.			trans	-153.9	158.3	-174.4	58.7	-171.3	-169.2	-72.7	-6.7	111.5	I434 L435 W466 T470 F471 L473	I434-R468 PolarHBondContact O-NH1 2.83Å; I434-R468 PolarHBondContact O-NH2 3.32Å; L435-R468 PolarHBondContact O-NH2 3.28Å; W466-R468 WeakPolarHBondContact O-CG 3.43Å; W466-R468 PolarHBondContact O-N 2.75Å; W466-R468 PolarHBondContact O-NH1 3.22Å; R468-T470 WeakPolarHBondContact CD-O 3.35Å; R468-T470 WeakPolarHBondContact CG-O 3.29Å; R468-T470 PolarHBondContact NE-O 3.03Å; R468-F471 PolarHBondContact NE-O 2.93Å; R468-F471 PolarHBondContact NH2-O 2.72Å; R468-L473 VanDerWaalsContact NE-CD2 3.33Å
469	R	69.5	Low	77.7	Confident	249 Å²	249	56 Å²	56	94%	0.94	26%	0.258	S	S	*	.	S	Bend	trans	-82.8	-25.3	176.5	-67	-176.5	177.3	175.3	-0.5	112.9
470	T	70.9	Confident	77.2	Confident	54 Å²	54	57.2 Å²	57.2	33%	0.331	27%	0.269	S	S	.	.	S	Bend	trans	-111.2	142.4	-176.6	58.5	0	0	0	0	112	R468 R472 E577 I581	R468-T470 WeakPolarHBondContact CD-O 3.35Å; R468-T470 WeakPolarHBondContact CG-O 3.29Å; R468-T470 PolarHBondContact NE-O 3.03Å; T470-R472 VanDerWaalsContact C-N 3.27Å; T470-R472 PolarHBondContact O-N 3.13Å; T470-R472 PolarHBondContact OG1-O 3.4Å; T470-E577 VanDerWaalsContact C-OE1 3.31Å; T470-E577 WeakPolarHBondContact CA-OE1 3.2Å; T470-E577 VanDerWaalsContact CB-OE1 3.3Å; T470-E577 WeakPolarHBondContact CB-OE1 3.15Å; T470-I581 HydrophobicContact CG2-CD1 4.12Å
471	F	70.2	Confident	77	Confident	75 Å²	75	58 Å²	58	33%	0.329	27%	0.272	S	S	.	.	S	Bend	trans	-62.5	-37	171.6	-74.9	-87.5	0	0	0	111.5	L435 R468 L574 E577	L435-F471 WeakPolarHBondContact O-CD1 3.05Å; R468-F471 PolarHBondContact NE-O 2.93Å; R468-F471 PolarHBondContact NH2-O 2.72Å; F471-L574 HydrophobicContact CB-CD2 4.37Å; F471-E577 WeakPolarHBondContact CA-OE2 3.39Å; F471-E577 VanDerWaalsContact CB-OE2 3.22Å; F471-E577 WeakPolarHBondContact CB-OE2 3.01Å; F471-E577 PolarHBondContact N-OE1 2.95Å; F471-E577 PolarHBondContact N-OE2 3.08Å
472	R	68.9	Low	76.5	Confident	117 Å²	117	61.4 Å²	61.4	44%	0.442	29%	0.287	S	S	.	.			trans	-59	136.1	176.1	-164.9	174.4	-174.4	-177	-0.3	111.6	T470 P474 E577	T470-R472 VanDerWaalsContact C-N 3.27Å; T470-R472 PolarHBondContact O-N 3.13Å; T470-R472 PolarHBondContact OG1-O 3.4Å; R472-P474 WeakPolarHBondContact O-CD 3.04Å; R472-E577 PolarHBondContact N-OE2 3.45Å
473	L	74.3	Confident	76.1	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.016	30%	0.299	C	S	.	.			trans	-115.9	85.9	175.6	-75.7	166.4	0	0	0	108.9	L435 L462 R468 S475 H531	L435-L473 HydrophobicContact CD2-CD1 3.72Å; L462-L473 HydrophobicContact CD1-CD1 4.41Å; L462-L473 HydrophobicContact CD1-CD2 4.32Å; L462-L473 HydrophobicContact CD2-CD1 4.29Å; R468-L473 VanDerWaalsContact NE-CD2 3.33Å; L473-S475 PolarHBondContact O-N 2.79Å; L473-H531 HydrophobicContact CB-CB 3.75Å; L473-H531 HydrophobicContact CD1-CB 3.78Å; L473-H531 HydrophobicContact CG-CB 4.43Å
474	P	73	Confident	76	Confident	61 Å²	61	63.8 Å²	63.8	40%	0.396	30%	0.302	S	S	.	.			trans	-53.8	142.5	178.9	-23.7	32.9	0	0	0	111.4	R464 R472 Q476	R464-P474 PolarHBondContact NH1-O 2.95Å; R472-P474 WeakPolarHBondContact O-CD 3.04Å; P474-Q476 PolarHBondContact O-N 3.01Å; P474-Q476 VanDerWaalsContact O-N 3.17Å
475	S	72.9	Confident	75.5	Confident	21 Å²	21	65.9 Å²	65.9	15%	0.147	31%	0.313	C	S	.	.	S	Bend	trans	-57.2	-32.8	178.6	42.8	0	0	0	0	113.2	L473 D526 R530	L473-S475 PolarHBondContact O-N 2.79Å; S475-D526 WeakPolarHBondContact OG-CB 3.02Å; S475-D526 PolarHBondContact OG-O 2.92Å; S475-R530 PolarHBondContact O-NH1 2.89Å; S475-R530 PolarHBondContact O-NH2 2.83Å; S475-R530 VanDerWaalsContact O-NH2 3.08Å
476	Q	76.1	Confident	75	Confident	124 Å²	124	73.8 Å²	73.8	58%	0.579	34%	0.341	S	S	*	.	S	Bend	trans	-92.3	146.9	178.6	-59.8	-178.3	6.3	0	0	112.6	R464 P474 D526	R464-Q476 PolarHBondContact NH2-O 3.21Å; R464-Q476 VanDerWaalsContact NH2-O 3.08Å; P474-Q476 PolarHBondContact O-N 3.01Å; P474-Q476 VanDerWaalsContact O-N 3.17Å; Q476-D526 HydrophobicContact CG-CB 4.39Å
477	L	78	Confident	74.6	Confident	40 Å²	40	77.3 Å²	77.3	21%	0.209	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-75.6	135.3	174.2	-71	171.4	0	0	0	110.5	R464 D481 K482 I485	R464-L477 HydrophobicContact CB-CD2 3.42Å; R464-L477 VanDerWaalsContact CB-CD2 3.42Å; L477-D481 HydrophobicContact CB-CB 4.21Å; L477-D481 HydrophobicContact CD2-CB 3.81Å; L477-K482 HydrophobicContact CB-CG 4.13Å; L477-I485 HydrophobicContact CD1-CD1 3.93Å; L477-I485 HydrophobicContact CD2-CD1 4.25Å
478	S	79.1	Confident	73.9	Confident	53 Å²	53	72 Å²	72	37%	0.371	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-70	160.3	170.8	82.7	0	0	0	0	110.7	A480 D481 K482	S478-A480 PolarHBondContact O-N 3.23Å; S478-A480 PolarHBondContact OG-N 3.42Å; S478-D481 PolarHBondContact N-OD2 2.85Å; S478-D481 WeakPolarHBondContact O-CB 3.46Å; S478-D481 PolarHBondContact O-N 3.03Å; S478-D481 VanDerWaalsContact O-N 3.11Å; S478-D481 PolarHBondContact OG-N 3.03Å; S478-D481 PolarHBondContact OG-OD1 3.41Å; S478-D481 PolarHBondContact OG-OD2 3.09Å; S478-K482 WeakPolarHBondContact O-CG 3.39Å; S478-K482 PolarHBondContact O-N 2.74Å
479	E	74.5	Confident	73.3	Confident	95 Å²	95	71.9 Å²	71.9	44%	0.444	36%	0.364	S	S	.	.	H	α-helix	trans	-60.9	-32.8	173.3	-70.7	-53.7	122.8	0	0	112	K482 A483	E479-K482 PolarHBondContact O-N 2.77Å; E479-K482 IonicContact OE1-NZ 3.83Å; E479-K482 PolarHBondContact OE1-NZ 2.67Å; E479-A483 WeakPolarHBondContact O-CB 3.49Å; E479-A483 PolarHBondContact O-N 3.45Å
480	A	75.9	Confident	72.8	Confident	35 Å²	35	66.3 Å²	66.3	29%	0.289	35%	0.351	S	S	.	.	H	α-helix	trans	-65	-40.4	173.2	0	0	0	0	0	112	S478 A483 Y484	S478-A480 PolarHBondContact O-N 3.23Å; S478-A480 PolarHBondContact OG-N 3.42Å; A480-A483 PolarHBondContact O-N 3.47Å; A480-Y484 PolarHBondContact O-N 3.21Å
481	D	78.5	Confident	72.6	Confident	31 Å²	31	69.5 Å²	69.5	17%	0.166	36%	0.362	C	S	.	.	H	α-helix	trans	-64.3	-43.2	176.4	-53.3	-12.7	0	0	0	110.4	R464 P465 L477 S478 A483 Y484 I485	R464-D481 IonicContact CZ-OD2 3.16Å; R464-D481 IonicContact NE-OD2 3.42Å; R464-D481 IonicContact NH2-OD2 3.25Å; R464-D481 PolarHBondContact NH2-OD2 3.26Å; P465-D481 HydrophobicContact CG-CB 4.41Å; L477-D481 HydrophobicContact CB-CB 4.21Å; L477-D481 HydrophobicContact CD2-CB 3.81Å; S478-D481 PolarHBondContact N-OD2 2.85Å; S478-D481 WeakPolarHBondContact O-CB 3.46Å; S478-D481 PolarHBondContact O-N 3.03Å; S478-D481 VanDerWaalsContact O-N 3.11Å; S478-D481 PolarHBondContact OG-N 3.03Å; S478-D481 PolarHBondContact OG-OD1 3.41Å; S478-D481 PolarHBondContact OG-OD2 3.09Å; D481-A483 VanDerWaalsContact C-N 3.34Å; D481-Y484 PolarHBondContact O-N 3.42Å; D481-I485 WeakPolarHBondContact O-CD1 3.5Å; D481-I485 VanDerWaalsContact O-CG1 3.23Å; D481-I485 WeakPolarHBondContact O-CG1 3.48Å; D481-I485 PolarHBondContact O-N 2.92Å
482	K	76.6	Confident	72.7	Confident	75 Å²	75	68 Å²	68	33%	0.326	36%	0.356	S	S	.	.	H	α-helix	trans	-63.3	-41.1	176.9	-67.1	176.2	-168.8	168.1	0	111.4	L477 S478 E479 I485 R486	L477-K482 HydrophobicContact CB-CG 4.13Å; S478-K482 WeakPolarHBondContact O-CG 3.39Å; S478-K482 PolarHBondContact O-N 2.74Å; E479-K482 PolarHBondContact O-N 2.77Å; E479-K482 IonicContact OE1-NZ 3.83Å; E479-K482 PolarHBondContact OE1-NZ 2.67Å; K482-I485 PolarHBondContact O-N 2.76Å; K482-R486 WeakPolarHBondContact O-CB 3.04Å; K482-R486 VanDerWaalsContact O-CG 3.26Å; K482-R486 WeakPolarHBondContact O-CG 3.36Å; K482-R486 PolarHBondContact O-N 2.95Å
483	A	74.5	Confident	72.6	Confident	32 Å²	32	66.9 Å²	66.9	26%	0.264	36%	0.355	S	S	.	.	H	α-helix	trans	-63.6	-44.7	176.7	0	0	0	0	0	111.5	E479 A480 D481 R486 A487	E479-A483 WeakPolarHBondContact O-CB 3.49Å; E479-A483 PolarHBondContact O-N 3.45Å; A480-A483 PolarHBondContact O-N 3.47Å; D481-A483 VanDerWaalsContact C-N 3.34Å; A483-R486 PolarHBondContact O-N 3.25Å; A483-A487 WeakPolarHBondContact O-CB 3.36Å; A483-A487 PolarHBondContact O-N 3.28Å
484	Y	76.4	Confident	72.5	Confident	57 Å²	57	72 Å²	72	22%	0.224	38%	0.382	C	S	.	.	H	α-helix	trans	-58.6	-52.3	174.1	173.6	-92.5	0	0	0	111.6	E459 P465 A480 D481 R486 A487 T488	E459-Y484 PolarHBondContact OE1-OH 3.09Å; P465-Y484 HydrophobicContact CB-CD1 4.27Å; P465-Y484 HydrophobicContact CB-CE1 4.24Å; P465-Y484 HydrophobicContact CG-CD1 3.42Å; P465-Y484 VanDerWaalsContact CG-CD1 3.42Å; P465-Y484 HydrophobicContact CG-CE1 3.78Å; P465-Y484 HydrophobicContact CG-CG 4.16Å; A480-Y484 PolarHBondContact O-N 3.21Å; D481-Y484 PolarHBondContact O-N 3.42Å; Y484-R486 VanDerWaalsContact C-N 3.27Å; Y484-R486 PolarHBondContact O-N 3.43Å; Y484-A487 PolarHBondContact O-N 3.33Å; Y484-A487 VanDerWaalsContact O-N 3.07Å; Y484-T488 HydrophobicContact CD2-CG2 4.25Å; Y484-T488 HydrophobicContact CE1-CG2 4.45Å; Y484-T488 HydrophobicContact CE2-CG2 3.94Å; Y484-T488 PolarHBondContact O-N 3.17Å; Y484-T488 PolarHBondContact O-OG1 3.25Å
485	I	72.2	Confident	72.7	Confident	59 Å²	59	74.3 Å²	74.3	30%	0.303	38%	0.383	S	S	.	.	H	α-helix	trans	-58.7	-39.8	-179.5	-67.7	164.6	0	0	0	111.2	L477 D481 K482 A489	L477-I485 HydrophobicContact CD1-CD1 3.93Å; L477-I485 HydrophobicContact CD2-CD1 4.25Å; D481-I485 WeakPolarHBondContact O-CD1 3.5Å; D481-I485 VanDerWaalsContact O-CG1 3.23Å; D481-I485 WeakPolarHBondContact O-CG1 3.48Å; D481-I485 PolarHBondContact O-N 2.92Å; K482-I485 PolarHBondContact O-N 2.76Å; I485-A489 WeakPolarHBondContact O-CA 3.41Å; I485-A489 WeakPolarHBondContact O-CB 3.37Å; I485-A489 PolarHBondContact O-N 2.93Å; I485-A489 VanDerWaalsContact O-N 3.12Å
486	R	71	Confident	72.9	Confident	182 Å²	182	74.1 Å²	74.1	69%	0.687	38%	0.381	S	S	*	.	H	α-helix	trans	-67.1	-40.6	176.2	-74.7	173.7	-174.5	152.4	0.3	112.3	K482 A483 Y484	K482-R486 WeakPolarHBondContact O-CB 3.04Å; K482-R486 VanDerWaalsContact O-CG 3.26Å; K482-R486 WeakPolarHBondContact O-CG 3.36Å; K482-R486 PolarHBondContact O-N 2.95Å; A483-R486 PolarHBondContact O-N 3.25Å; Y484-R486 VanDerWaalsContact C-N 3.27Å; Y484-R486 PolarHBondContact O-N 3.43Å
487	A	72.7	Confident	72.7	Confident	78 Å²	78	70 Å²	70	65%	0.645	36%	0.362	S	S	*	.	H	α-helix	trans	-69.1	-34.5	-178.8	0	0	0	0	0	112.3	A483 Y484	A483-A487 WeakPolarHBondContact O-CB 3.36Å; A483-A487 PolarHBondContact O-N 3.28Å; Y484-A487 PolarHBondContact O-N 3.33Å; Y484-A487 VanDerWaalsContact O-N 3.07Å
488	T	69.7	Low	72.8	Confident	17 Å²	17	70.5 Å²	70.5	10%	0.104	37%	0.369	C	S	.	.	H	α-helix	trans	-93.9	-5.2	-178.2	58.4	0	0	0	0	113.7	Y484 I490 E491 H492	Y484-T488 HydrophobicContact CD2-CG2 4.25Å; Y484-T488 HydrophobicContact CE1-CG2 4.45Å; Y484-T488 HydrophobicContact CE2-CG2 3.94Å; Y484-T488 PolarHBondContact O-N 3.17Å; Y484-T488 PolarHBondContact O-OG1 3.25Å; T488-I490 VanDerWaalsContact C-N 3.29Å; T488-I490 PolarHBondContact O-N 3.29Å; T488-E491 PolarHBondContact O-N 3.18Å; T488-H492 WeakPolarHBondContact O-CA 3.43Å; T488-H492 WeakPolarHBondContact O-CB 3.44Å; T488-H492 PolarHBondContact O-N 3.34Å
489	A	63.5	Low	73.1	Confident	52 Å²	52	68 Å²	68	43%	0.43	35%	0.351	S	S	.	.	H	α-helix	trans	-47.9	-40.9	-166.6	0	0	0	0	0	115.8	I485 F493	I485-A489 WeakPolarHBondContact O-CA 3.41Å; I485-A489 WeakPolarHBondContact O-CB 3.37Å; I485-A489 PolarHBondContact O-N 2.93Å; I485-A489 VanDerWaalsContact O-N 3.12Å; A489-F493 PolarHBondContact O-N 2.98Å; A489-F493 VanDerWaalsContact O-N 3.1Å
490	I	60.1	Low	73.2	Confident	131 Å²	131	63.7 Å²	63.7	67%	0.672	33%	0.331	S	S	*	.	H	α-helix	trans	-72.4	-59.3	-178	-60.7	175.5	0	0	0	110.9	T488 H492 F493	T488-I490 VanDerWaalsContact C-N 3.29Å; T488-I490 PolarHBondContact O-N 3.29Å; I490-H492 PolarHBondContact O-N 2.93Å; I490-F493 WeakPolarHBondContact O-CB 3.47Å; I490-F493 PolarHBondContact O-N 2.85Å
491	E	67.5	Low	73.4	Confident	122 Å²	122	69 Å²	69	57%	0.57	35%	0.35	S	S	*	.	H	α-helix	trans	-62.6	-32.2	178.3	-64.7	-179.9	177.6	0	0	111.9	T488 F493 R495	T488-E491 PolarHBondContact O-N 3.18Å; E491-F493 VanDerWaalsContact C-N 3.3Å; E491-F493 PolarHBondContact O-N 3.41Å; E491-R495 WeakPolarHBondContact O-CG 3.5Å; E491-R495 PolarHBondContact O-N 3.45Å
492	H	71.9	Confident	73.6	Confident	43 Å²	43	70.7 Å²	70.7	20%	0.199	36%	0.357	C	S	.	.	H	α-helix	trans	-66.5	-33.6	176.3	-166.4	69.4	0	0	0	111.2	E459 T488 I490 V496	E459-H492 IonicContact OE2-CE1 2.62Å; E459-H492 PolarHBondContact OE2-CE1 2.85Å; E459-H492 IonicContact OE2-ND1 2.81Å; E459-H492 PolarHBondContact OE2-ND1 3.39Å; T488-H492 WeakPolarHBondContact O-CA 3.43Å; T488-H492 WeakPolarHBondContact O-CB 3.44Å; T488-H492 PolarHBondContact O-N 3.34Å; I490-H492 PolarHBondContact O-N 2.93Å; H492-V496 WeakPolarHBondContact NE2-CG2 3.41Å; H492-V496 WeakPolarHBondContact O-CB 3.44Å; H492-V496 WeakPolarHBondContact O-CG2 3.41Å; H492-V496 PolarHBondContact O-N 3.28Å
493	F	67	Low	73.8	Confident	93 Å²	93	67.6 Å²	67.6	41%	0.408	34%	0.344	S	S	.	.	H	α-helix	trans	-61.5	-52.5	177	-176.2	-95.3	0	0	0	111.7	A489 I490 E491 R495 V496 M497	A489-F493 PolarHBondContact O-N 2.98Å; A489-F493 VanDerWaalsContact O-N 3.1Å; I490-F493 WeakPolarHBondContact O-CB 3.47Å; I490-F493 PolarHBondContact O-N 2.85Å; E491-F493 VanDerWaalsContact C-N 3.3Å; E491-F493 PolarHBondContact O-N 3.41Å; F493-R495 VanDerWaalsContact C-N 3.33Å; F493-R495 PolarHBondContact O-N 3.25Å; F493-V496 PolarHBondContact O-N 3.22Å; F493-M497 HydrophobicContact CD1-CG 4.1Å; F493-M497 HydrophobicContact CD2-CE 4.4Å; F493-M497 HydrophobicContact CE1-CG 3.68Å; F493-M497 HydrophobicContact CE2-CE 3.96Å; F493-M497 HydrophobicContact CE2-CG 4.32Å; F493-M497 HydrophobicContact CE2-SD 4.37Å; F493-M497 HydrophobicContact CZ-CE 4.23Å; F493-M497 HydrophobicContact CZ-CG 3.81Å; F493-M497 HydrophobicContact CZ-SD 4.04Å; F493-M497 WeakPolarHBondContact O-CG 3.49Å; F493-M497 PolarHBondContact O-N 3.34Å
494	D	70.5	Confident	73.9	Confident	112 Å²	112	67.7 Å²	67.7	60%	0.599	34%	0.342	S	S	*	.	H	α-helix	trans	-61.9	-41.6	-179.3	-69	-24.2	0	0	0	111.7	M497 S498	D494-M497 PolarHBondContact O-N 3.42Å; D494-S498 WeakPolarHBondContact O-CB 3.49Å; D494-S498 PolarHBondContact O-N 2.81Å
495	R	78.7	Confident	73.8	Confident	108 Å²	108	69.7 Å²	69.7	41%	0.408	35%	0.349	S	S	.	.	H	α-helix	trans	-66	-42.2	176.4	-69.1	178.3	67.3	-176.5	0.4	112.3	D453 T456 E491 F493 S498 V499	D453-R495 VanDerWaalsContact CG-NH2 3.34Å; D453-R495 IonicContact OD1-NH2 2.7Å; D453-R495 PolarHBondContact OD1-NH2 2.68Å; D453-R495 VanDerWaalsContact OD1-NH2 3.07Å; D453-R495 IonicContact OD2-CZ 3.67Å; D453-R495 VanDerWaalsContact OD2-CZ 3.25Å; D453-R495 IonicContact OD2-NE 3.95Å; D453-R495 PolarHBondContact OD2-NE 2.96Å; D453-R495 IonicContact OD2-NH2 3.1Å; D453-R495 PolarHBondContact OD2-NH2 3.47Å; T456-R495 HydrophobicContact CG2-CB 4.1Å; T456-R495 VanDerWaalsContact OG1-CZ 3.28Å; T456-R495 PolarHBondContact OG1-NE 2.8Å; T456-R495 PolarHBondContact OG1-NH2 3.42Å; T456-R495 VanDerWaalsContact OG1-NH2 3.08Å; E491-R495 WeakPolarHBondContact O-CG 3.5Å; E491-R495 PolarHBondContact O-N 3.45Å; F493-R495 VanDerWaalsContact C-N 3.33Å; F493-R495 PolarHBondContact O-N 3.25Å; R495-S498 PolarHBondContact O-N 3.28Å; R495-V499 WeakPolarHBondContact O-CG2 3.48Å; R495-V499 PolarHBondContact O-N 2.95Å
496	V	76.5	Confident	73.9	Confident	17 Å²	17	68.1 Å²	68.1	10%	0.103	34%	0.343	C	S	.	.	H	α-helix	trans	-63.4	-45.3	176.2	169.8	0	0	0	0	109.7	T456 V460 H492 F493 S498 V499 L500	T456-V496 HydrophobicContact CG2-CB 4.49Å; T456-V496 HydrophobicContact CG2-CG2 3.7Å; V460-V496 HydrophobicContact CG2-CB 4.4Å; V460-V496 HydrophobicContact CG2-CG1 3.95Å; V460-V496 HydrophobicContact CG2-CG2 3.83Å; H492-V496 WeakPolarHBondContact NE2-CG2 3.41Å; H492-V496 WeakPolarHBondContact O-CB 3.44Å; H492-V496 WeakPolarHBondContact O-CG2 3.41Å; H492-V496 PolarHBondContact O-N 3.28Å; F493-V496 PolarHBondContact O-N 3.22Å; V496-S498 VanDerWaalsContact C-N 3.35Å; V496-S498 PolarHBondContact O-N 3.28Å; V496-V499 WeakPolarHBondContact O-CB 3.32Å; V496-V499 PolarHBondContact O-N 2.93Å; V496-V499 VanDerWaalsContact O-N 3.14Å; V496-L500 HydrophobicContact CG1-CD1 3.89Å; V496-L500 HydrophobicContact CG1-CG 4.13Å; V496-L500 VanDerWaalsContact O-CG 3.23Å; V496-L500 WeakPolarHBondContact O-CG 3.22Å; V496-L500 PolarHBondContact O-N 3.16Å
497	M	73	Confident	74.4	Confident	38 Å²	38	59.5 Å²	59.5	19%	0.187	31%	0.31	C	S	.	.	H	α-helix	trans	-58.5	-46.7	176.3	-71.1	-53.2	103.5	0	0	111.5	H123 V124 F493 D494 V499 L500 E501	H123-M497 WeakPolarHBondContact O-CE 3.34Å; V124-M497 HydrophobicContact CB-SD 4.32Å; V124-M497 HydrophobicContact CG1-SD 3.97Å; V124-M497 HydrophobicContact CG2-CE 4.38Å; V124-M497 HydrophobicContact CG2-SD 4.41Å; F493-M497 HydrophobicContact CD1-CG 4.1Å; F493-M497 HydrophobicContact CD2-CE 4.4Å; F493-M497 HydrophobicContact CE1-CG 3.68Å; F493-M497 HydrophobicContact CE2-CE 3.96Å; F493-M497 HydrophobicContact CE2-CG 4.32Å; F493-M497 HydrophobicContact CE2-SD 4.37Å; F493-M497 HydrophobicContact CZ-CE 4.23Å; F493-M497 HydrophobicContact CZ-CG 3.81Å; F493-M497 HydrophobicContact CZ-SD 4.04Å; F493-M497 WeakPolarHBondContact O-CG 3.49Å; F493-M497 PolarHBondContact O-N 3.34Å; D494-M497 PolarHBondContact O-N 3.42Å; M497-V499 VanDerWaalsContact C-N 3.3Å; M497-V499 PolarHBondContact O-N 3.2Å; M497-L500 HydrophobicContact CE-CD1 3.43Å; M497-L500 VanDerWaalsContact CE-CD1 3.43Å; M497-L500 PolarHBondContact O-N 3.26Å; M497-L500 HydrophobicContact SD-CD1 4.2Å; M497-E501 WeakPolarHBondContact O-CB 3.37Å; M497-E501 PolarHBondContact O-N 3.45Å
498	S	79.3	Confident	74.6	Confident	50 Å²	50	57 Å²	57	35%	0.35	29%	0.286	S	S	.	.	H	α-helix	trans	-59.7	-38.9	175.7	177.4	0	0	0	0	112.7	D494 R495 V496 Q502	D494-S498 WeakPolarHBondContact O-CB 3.49Å; D494-S498 PolarHBondContact O-N 2.81Å; R495-S498 PolarHBondContact O-N 3.28Å; V496-S498 VanDerWaalsContact C-N 3.35Å; V496-S498 PolarHBondContact O-N 3.28Å; S498-Q502 VanDerWaalsContact O-CG 3.3Å; S498-Q502 WeakPolarHBondContact O-CG 3.46Å; S498-Q502 PolarHBondContact O-N 3.29Å; S498-Q502 PolarHBondContact OG-NE2 3.35Å
499	V	84.6	Confident	74.9	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-65.9	-47	175.2	162.2	0	0	0	0	110.8	V451 D453 T456 F457 R495 V496 M497 E501 Q502 M503	V451-V499 HydrophobicContact CG1-CB 4.29Å; V451-V499 HydrophobicContact CG1-CG1 3.86Å; V451-V499 HydrophobicContact CG1-CG2 3.93Å; D453-V499 HydrophobicContact CB-CG2 3.83Å; T456-V499 HydrophobicContact CG2-CG2 3.93Å; F457-V499 HydrophobicContact CB-CG1 4.08Å; F457-V499 HydrophobicContact CD2-CG1 3.87Å; F457-V499 HydrophobicContact CG-CG1 4.37Å; R495-V499 WeakPolarHBondContact O-CG2 3.48Å; R495-V499 PolarHBondContact O-N 2.95Å; V496-V499 WeakPolarHBondContact O-CB 3.32Å; V496-V499 PolarHBondContact O-N 2.93Å; V496-V499 VanDerWaalsContact O-N 3.14Å; M497-V499 VanDerWaalsContact C-N 3.3Å; M497-V499 PolarHBondContact O-N 3.2Å; V499-E501 VanDerWaalsContact C-N 3.3Å; V499-E501 PolarHBondContact O-N 2.81Å; V499-Q502 PolarHBondContact O-N 3.44Å; V499-M503 HydrophobicContact CG1-CE 4.49Å; V499-M503 HydrophobicContact CG1-CG 4.46Å; V499-M503 WeakPolarHBondContact O-CG 3.49Å; V499-M503 PolarHBondContact O-N 3.24Å; V499-M503 VanDerWaalsContact O-N 3.12Å
500	L	78	Confident	75.7	Confident	5 Å²	5	54.6 Å²	54.6	3%	0.026	27%	0.265	C	S	.	.	H	α-helix	trans	-61.2	-38.7	-179.8	-64.5	170.1	0	0	0	112	V124 V460 V496 M497 M503 L508	V124-L500 HydrophobicContact CG2-CD1 4.06Å; V460-L500 HydrophobicContact CG1-CD2 4.34Å; V496-L500 HydrophobicContact CG1-CD1 3.89Å; V496-L500 HydrophobicContact CG1-CG 4.13Å; V496-L500 VanDerWaalsContact O-CG 3.23Å; V496-L500 WeakPolarHBondContact O-CG 3.22Å; V496-L500 PolarHBondContact O-N 3.16Å; M497-L500 HydrophobicContact CE-CD1 3.43Å; M497-L500 VanDerWaalsContact CE-CD1 3.43Å; M497-L500 PolarHBondContact O-N 3.26Å; M497-L500 HydrophobicContact SD-CD1 4.2Å; L500-M503 HydrophobicContact CB-CE 4.2Å; L500-M503 HydrophobicContact CD2-CE 3.18Å; L500-M503 HydrophobicContact CG-CE 4.1Å; L500-M503 PolarHBondContact O-N 2.93Å; L500-L508 HydrophobicContact CB-CD2 4.13Å; L500-L508 HydrophobicContact CD2-CD2 3.95Å
501	E	78.2	Confident	76.7	Confident	147 Å²	147	48.6 Å²	48.6	69%	0.687	23%	0.234	S	C	*	.	H	α-helix	trans	-66.6	-35.9	177.8	-171.9	176.6	-172.5	0	0	112.7	M497 V499	M497-E501 WeakPolarHBondContact O-CB 3.37Å; M497-E501 PolarHBondContact O-N 3.45Å; V499-E501 VanDerWaalsContact C-N 3.3Å; V499-E501 PolarHBondContact O-N 2.81Å
502	Q	83.8	Confident	77.2	Confident	67 Å²	67	45.7 Å²	45.7	31%	0.313	22%	0.218	S	C	.	.	H	α-helix	trans	-76.3	-23.3	177.8	-72.3	174.7	28.5	0	0	113.4	V451 S498 V499	V451-Q502 HydrophobicContact CG2-CB 4.44Å; S498-Q502 VanDerWaalsContact O-CG 3.3Å; S498-Q502 WeakPolarHBondContact O-CG 3.46Å; S498-Q502 PolarHBondContact O-N 3.29Å; S498-Q502 PolarHBondContact OG-NE2 3.35Å; V499-Q502 PolarHBondContact O-N 3.44Å
503	M	80.6	Confident	77.8	Confident	9 Å²	9	43.6 Å²	43.6	4%	0.044	21%	0.208	C	C	.	.	S	Bend	trans	-66.1	140.3	-176.5	-80	-162.3	-71.8	0	0	112.1	V451 F457 V499 L500 R505 M507 L508 I511	V451-M503 HydrophobicContact CG2-CB 4.46Å; V451-M503 HydrophobicContact CG2-CG 3.54Å; F457-M503 HydrophobicContact CD2-SD 3.98Å; F457-M503 HydrophobicContact CE2-CG 4.15Å; F457-M503 HydrophobicContact CE2-SD 3.41Å; F457-M503 WeakPolarHBondContact CE2-SD 3.48Å; F457-M503 HydrophobicContact CZ-SD 4.37Å; V499-M503 HydrophobicContact CG1-CE 4.49Å; V499-M503 HydrophobicContact CG1-CG 4.46Å; V499-M503 WeakPolarHBondContact O-CG 3.49Å; V499-M503 PolarHBondContact O-N 3.24Å; V499-M503 VanDerWaalsContact O-N 3.12Å; L500-M503 HydrophobicContact CB-CE 4.2Å; L500-M503 HydrophobicContact CD2-CE 3.18Å; L500-M503 HydrophobicContact CG-CE 4.1Å; L500-M503 PolarHBondContact O-N 2.93Å; M503-R505 PolarHBondContact O-N 3.36Å; M503-M507 HydrophobicContact CB-CB 4.42Å; M503-M507 HydrophobicContact CB-CE 3.84Å; M503-M507 HydrophobicContact CG-CE 3.35Å; M503-M507 HydrophobicContact SD-CB 4.14Å; M503-M507 HydrophobicContact SD-CE 3.35Å; M503-M507 WeakPolarHBondContact SD-CE 3.3Å; M503-L508 HydrophobicContact CE-CD2 3.71Å; M503-I511 HydrophobicContact CE-CG1 4.2Å
504	P	77.7	Confident	78.7	Confident	34 Å²	34	39.9 Å²	39.9	22%	0.221	19%	0.193	C	C	.	.			trans	-55.9	135.6	167.1	-23.2	32.8	0	0	0	109.7	L449 P506 M507	L449-P504 WeakPolarHBondContact O-CD 3.37Å; L449-P504 WeakPolarHBondContact O-CG 3.32Å; P504-P506 VanDerWaalsContact C-N 3.3Å; P504-P506 VanDerWaalsContact O-N 3.12Å; P504-M507 HydrophobicContact CB-CG 4.32Å; P504-M507 HydrophobicContact CG-CG 4.41Å; P504-M507 WeakPolarHBondContact O-CA 3.19Å; P504-M507 VanDerWaalsContact O-CB 3.31Å; P504-M507 WeakPolarHBondContact O-CB 3.32Å; P504-M507 PolarHBondContact O-N 3.4Å
505	R	73.3	Confident	79.2	Confident	99 Å²	99	36.5 Å²	36.5	37%	0.374	17%	0.174	S	C	.	.	H	α-helix	trans	-46.4	-43.6	-179.3	-68.7	-171.9	177.6	-179.9	-2.6	114.3	E236 M503 M507 L508	E236-R505 IonicContact OE1-CZ 2.71Å; E236-R505 IonicContact OE1-NH1 2.84Å; E236-R505 PolarHBondContact OE1-NH1 3.46Å; E236-R505 IonicContact OE2-NH1 3.26Å; E236-R505 PolarHBondContact OE2-NH1 2.91Å; M503-R505 PolarHBondContact O-N 3.36Å; R505-M507 PolarHBondContact O-N 3.44Å; R505-L508 WeakPolarHBondContact O-CB 3.27Å; R505-L508 PolarHBondContact O-N 3.26Å
506	P	75.1	Confident	79.4	Confident	26 Å²	26	32.1 Å²	32.1	17%	0.169	16%	0.159	C	C	.	.	H	α-helix	trans	-59.8	-22.3	177.5	-23.5	33.3	0	0	0	114.1	D417 L419 P504 F510	D417-P506 WeakPolarHBondContact OD2-CG 3.4Å; L419-P506 HydrophobicContact CD1-CB 4.13Å; P504-P506 VanDerWaalsContact C-N 3.3Å; P504-P506 VanDerWaalsContact O-N 3.12Å; P506-F510 PolarHBondContact O-N 3.31Å
507	M	80.6	Confident	80	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-79.5	-26.8	175.5	-58.9	-155.4	-29.2	0	0	113.6	L419 L449 V451 F457 M503 P504 R505 L509 F510 I511	L419-M507 HydrophobicContact CD1-CG 3.96Å; L449-M507 HydrophobicContact CB-CE 4.17Å; L449-M507 HydrophobicContact CB-SD 4.06Å; L449-M507 HydrophobicContact CD1-CE 4.38Å; L449-M507 HydrophobicContact CD1-SD 3.87Å; L449-M507 HydrophobicContact CD2-SD 3.51Å; L449-M507 VanDerWaalsContact CD2-SD 3.51Å; L449-M507 HydrophobicContact CG-SD 3.99Å; V451-M507 HydrophobicContact CG2-CE 4.46Å; F457-M507 HydrophobicContact CE1-CE 4.46Å; F457-M507 HydrophobicContact CE2-CE 3.65Å; F457-M507 HydrophobicContact CZ-CE 3.4Å; F457-M507 VanDerWaalsContact CZ-CE 3.4Å; F457-M507 HydrophobicContact CZ-SD 4.32Å; M503-M507 HydrophobicContact CB-CB 4.42Å; M503-M507 HydrophobicContact CB-CE 3.84Å; M503-M507 HydrophobicContact CG-CE 3.35Å; M503-M507 HydrophobicContact SD-CB 4.14Å; M503-M507 HydrophobicContact SD-CE 3.35Å; M503-M507 WeakPolarHBondContact SD-CE 3.3Å; P504-M507 HydrophobicContact CB-CG 4.32Å; P504-M507 HydrophobicContact CG-CG 4.41Å; P504-M507 WeakPolarHBondContact O-CA 3.19Å; P504-M507 VanDerWaalsContact O-CB 3.31Å; P504-M507 WeakPolarHBondContact O-CB 3.32Å; P504-M507 PolarHBondContact O-N 3.4Å; R505-M507 PolarHBondContact O-N 3.44Å; M507-L509 PolarHBondContact O-N 2.88Å; M507-F510 VanDerWaalsContact O-CB 3.3Å; M507-F510 WeakPolarHBondContact O-CB 3.28Å; M507-F510 PolarHBondContact O-N 3.47Å; M507-F510 VanDerWaalsContact O-N 3.14Å; M507-I511 PolarHBondContact O-N 3.41Å
508	L	77.3	Confident	80.6	Confident	25 Å²	25	32.1 Å²	32.1	13%	0.131	16%	0.156	C	C	.	.	H	α-helix	trans	-60.8	-39.8	171.9	-66.8	172.9	0	0	0	110.2	W229 L500 M503 R505 F510 I511 R512	W229-L508 HydrophobicContact CZ3-CD1 4.26Å; L500-L508 HydrophobicContact CB-CD2 4.13Å; L500-L508 HydrophobicContact CD2-CD2 3.95Å; M503-L508 HydrophobicContact CE-CD2 3.71Å; R505-L508 WeakPolarHBondContact O-CB 3.27Å; R505-L508 PolarHBondContact O-N 3.26Å; L508-F510 VanDerWaalsContact C-N 3.31Å; L508-F510 PolarHBondContact O-N 2.77Å; L508-I511 PolarHBondContact O-N 3.39Å; L508-R512 PolarHBondContact O-N 3.02Å
509	L	75	Confident	80.9	Confident	17 Å²	17	33.2 Å²	33.2	9%	0.089	16%	0.163	C	C	.	.	H	α-helix	trans	-65.5	-35.2	175.7	-55.7	178.1	0	0	0	111.9	A331 D417 M507 R512 N513	A331-L509 HydrophobicContact CB-CB 3.81Å; A331-L509 HydrophobicContact CB-CD1 3.68Å; A331-L509 HydrophobicContact CB-CD2 3.82Å; A331-L509 HydrophobicContact CB-CG 3.94Å; D417-L509 HydrophobicContact CB-CD1 3.35Å; M507-L509 PolarHBondContact O-N 2.88Å; L509-R512 PolarHBondContact O-N 3.28Å; L509-N513 WeakPolarHBondContact O-CB 3.44Å; L509-N513 PolarHBondContact O-N 3.07Å
510	F	81	Confident	81.1	Confident	3 Å²	3	33.4 Å²	33.4	1%	0.013	16%	0.164	C	C	.	.	H	α-helix	trans	-62	-43.8	170.9	164.5	-112	0	0	0	112.5	V323 F324 L427 Y431 I461 P506 M507 L508 R512 N513 L514	V323-F510 HydrophobicContact CB-CD2 4.13Å; V323-F510 HydrophobicContact CB-CE2 4.17Å; V323-F510 HydrophobicContact CG1-CD2 3.37Å; V323-F510 HydrophobicContact CG1-CE2 3.29Å; V323-F510 HydrophobicContact CG1-CG 4.34Å; V323-F510 HydrophobicContact CG1-CZ 4.2Å; V323-F510 HydrophobicContact CG2-CD2 3.58Å; V323-F510 HydrophobicContact CG2-CE2 3.91Å; F324-F510 HydrophobicContact CZ-CZ 4.44Å; L427-F510 HydrophobicContact CD1-CD1 4.36Å; L427-F510 HydrophobicContact CD1-CE1 3.81Å; L427-F510 HydrophobicContact CD1-CZ 4.3Å; L427-F510 HydrophobicContact CD2-CD1 4.02Å; L427-F510 HydrophobicContact CD2-CD2 4.34Å; L427-F510 HydrophobicContact CD2-CE1 3.91Å; L427-F510 HydrophobicContact CD2-CE2 4.26Å; L427-F510 HydrophobicContact CD2-CG 4.19Å; L427-F510 HydrophobicContact CD2-CZ 3.99Å; L427-F510 HydrophobicContact CG-CE1 4.41Å; Y431-F510 HydrophobicContact CE2-CE1 4.06Å; Y431-F510 AromaticContact CE2-CZ 3.55Å; Y431-F510 HydrophobicContact CE2-CZ 3.55Å; Y431-F510 AromaticContact CZ-CZ 3.89Å; Y431-F510 WeakPolarHBondContact OH-CZ 3.41Å; I461-F510 HydrophobicContact CG1-CE1 4.38Å; P506-F510 PolarHBondContact O-N 3.31Å; M507-F510 VanDerWaalsContact O-CB 3.3Å; M507-F510 WeakPolarHBondContact O-CB 3.28Å; M507-F510 PolarHBondContact O-N 3.47Å; M507-F510 VanDerWaalsContact O-N 3.14Å; L508-F510 VanDerWaalsContact C-N 3.31Å; L508-F510 PolarHBondContact O-N 2.77Å; F510-R512 VanDerWaalsContact C-N 3.3Å; F510-R512 PolarHBondContact O-N 3.37Å; F510-N513 WeakPolarHBondContact O-CB 3.31Å; F510-N513 PolarHBondContact O-N 3.21Å; F510-L514 HydrophobicContact CD1-CD1 4.28Å; F510-L514 HydrophobicContact CD2-CD1 4.46Å; F510-L514 HydrophobicContact CD2-CG 4.07Å; F510-L514 HydrophobicContact CE1-CD1 3.55Å; F510-L514 HydrophobicContact CE1-CG 4.2Å; F510-L514 HydrophobicContact CE2-CD1 3.75Å; F510-L514 HydrophobicContact CE2-CD2 3.64Å; F510-L514 HydrophobicContact CE2-CG 3.48Å; F510-L514 VanDerWaalsContact CE2-CG 3.48Å; F510-L514 HydrophobicContact CZ-CD1 3.29Å; F510-L514 HydrophobicContact CZ-CD2 3.88Å; F510-L514 HydrophobicContact CZ-CG 3.61Å; F510-L514 WeakPolarHBondContact O-CG 3.46Å; F510-L514 PolarHBondContact O-N 2.61Å
511	I	80.7	Confident	81.7	Confident	5 Å²	5	33.2 Å²	33.2	3%	0.026	16%	0.163	C	C	.	.	H	α-helix	trans	-62	-40.5	176.1	-62.4	-55.5	0	0	0	110.9	V460 I461 M503 M507 L508 L514 N515	V460-I511 HydrophobicContact CG1-CD1 3.9Å; V460-I511 HydrophobicContact CG1-CG1 4.23Å; I461-I511 HydrophobicContact CG1-CD1 4.26Å; M503-I511 HydrophobicContact CE-CG1 4.2Å; M507-I511 PolarHBondContact O-N 3.41Å; L508-I511 PolarHBondContact O-N 3.39Å; I511-L514 HydrophobicContact CD1-CD1 4.31Å; I511-L514 PolarHBondContact O-N 3.22Å; I511-N515 WeakPolarHBondContact O-CB 3.25Å; I511-N515 PolarHBondContact O-N 3.43Å; I511-N515 PolarHBondContact O-ND2 3.36Å
512	R	78.5	Confident	82.1	Confident	60 Å²	60	34.6 Å²	34.6	23%	0.226	16%	0.162	C	C	.	.	H	α-helix	trans	-61.2	-44.1	173.7	-173.3	168.3	178.7	-172.7	10	112.1	S120 A331 D332 L508 L509 F510 N515 L516	S120-R512 PolarHBondContact OG-NH2 2.84Å; A331-R512 VanDerWaalsContact O-CD 3.24Å; A331-R512 WeakPolarHBondContact O-CD 3.03Å; D332-R512 IonicContact OD1-CZ 3Å; D332-R512 IonicContact OD1-NE 3.67Å; D332-R512 PolarHBondContact OD1-NE 3.37Å; D332-R512 IonicContact OD1-NH1 3.49Å; D332-R512 IonicContact OD1-NH2 2.65Å; D332-R512 PolarHBondContact OD1-NH2 3.08Å; D332-R512 IonicContact OD2-CZ 3.34Å; D332-R512 IonicContact OD2-NH1 2.68Å; D332-R512 IonicContact OD2-NH2 3.87Å; D332-R512 PolarHBondContact OD2-NH2 2.83Å; L508-R512 PolarHBondContact O-N 3.02Å; L509-R512 PolarHBondContact O-N 3.28Å; F510-R512 VanDerWaalsContact C-N 3.3Å; F510-R512 PolarHBondContact O-N 3.37Å; R512-N515 WeakPolarHBondContact O-CB 3.46Å; R512-N515 PolarHBondContact O-N 3.06Å; R512-L516 PolarHBondContact O-N 3.38Å
513	N	85.2	Confident	82.3	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.5	-46.8	175.8	-171	-88.3	0	0	0	112.3	F319 V329 H330 L509 F510 L516 I517	F319-N513 WeakPolarHBondContact CD1-ND2 3.16Å; F319-N513 WeakPolarHBondContact CE1-ND2 3.42Å; V329-N513 HydrophobicContact CG1-CB 4.19Å; H330-N513 PolarHBondContact O-ND2 2.85Å; L509-N513 WeakPolarHBondContact O-CB 3.44Å; L509-N513 PolarHBondContact O-N 3.07Å; F510-N513 WeakPolarHBondContact O-CB 3.31Å; F510-N513 PolarHBondContact O-N 3.21Å; N513-L516 WeakPolarHBondContact O-CB 3.35Å; N513-L516 PolarHBondContact O-N 3.06Å; N513-I517 WeakPolarHBondContact O-CG1 3.48Å; N513-I517 PolarHBondContact O-N 3.01Å; N513-I517 VanDerWaalsContact O-N 3.14Å
514	L	84.2	Confident	82.9	Confident	15 Å²	15	34 Å²	34	8%	0.079	17%	0.166	C	C	.	.	H	α-helix	trans	-61.8	-43.7	175.6	-72.1	-179.9	0	0	0	112.8	Y431 I461 F510 I511 L516 I517 R518 M534	Y431-L514 VanDerWaalsContact OH-CD1 3.27Å; Y431-L514 WeakPolarHBondContact OH-CD1 3.4Å; I461-L514 WeakPolarHBondContact O-CD1 3.48Å; F510-L514 HydrophobicContact CD1-CD1 4.28Å; F510-L514 HydrophobicContact CD2-CD1 4.46Å; F510-L514 HydrophobicContact CD2-CG 4.07Å; F510-L514 HydrophobicContact CE1-CD1 3.55Å; F510-L514 HydrophobicContact CE1-CG 4.2Å; F510-L514 HydrophobicContact CE2-CD1 3.75Å; F510-L514 HydrophobicContact CE2-CD2 3.64Å; F510-L514 HydrophobicContact CE2-CG 3.48Å; F510-L514 VanDerWaalsContact CE2-CG 3.48Å; F510-L514 HydrophobicContact CZ-CD1 3.29Å; F510-L514 HydrophobicContact CZ-CD2 3.88Å; F510-L514 HydrophobicContact CZ-CG 3.61Å; F510-L514 WeakPolarHBondContact O-CG 3.46Å; F510-L514 PolarHBondContact O-N 2.61Å; I511-L514 HydrophobicContact CD1-CD1 4.31Å; I511-L514 PolarHBondContact O-N 3.22Å; L514-L516 VanDerWaalsContact C-N 3.28Å; L514-L516 PolarHBondContact O-N 2.92Å; L514-I517 PolarHBondContact O-N 2.69Å; L514-R518 WeakPolarHBondContact O-CB 3.11Å; L514-R518 PolarHBondContact O-N 2.92Å; L514-M534 HydrophobicContact CD2-SD 3.81Å
515	N	82.9	Confident	83.3	Confident	40 Å²	40	34.5 Å²	34.5	21%	0.214	18%	0.178	C	C	.	.	H	α-helix	trans	-57.1	-43	176.9	-87.1	-34.5	0	0	0	111.3	Q463 I511 R512 S519	Q463-N515 PolarHBondContact NE2-OD1 3.27Å; Q463-N515 PolarHBondContact OE1-OD1 3.15Å; I511-N515 WeakPolarHBondContact O-CB 3.25Å; I511-N515 PolarHBondContact O-N 3.43Å; I511-N515 PolarHBondContact O-ND2 3.36Å; R512-N515 WeakPolarHBondContact O-CB 3.46Å; R512-N515 PolarHBondContact O-N 3.06Å; N515-S519 WeakPolarHBondContact O-CB 3.48Å; N515-S519 PolarHBondContact O-N 2.79Å
516	L	82.5	Confident	83.9	Confident	17 Å²	17	30.9 Å²	30.9	9%	0.089	17%	0.165	C	C	.	.	H	α-helix	trans	-59.7	-55.6	174.5	177.4	78.6	0	0	0	111.3	F319 P333 P335 L338 R512 N513 L514 R518 S519 I520	F319-L516 HydrophobicContact CZ-CD2 4.48Å; P333-L516 HydrophobicContact CB-CD2 3.34Å; P333-L516 HydrophobicContact CG-CB 4.48Å; P333-L516 HydrophobicContact CG-CD2 3.45Å; P333-L516 VanDerWaalsContact CG-CD2 3.45Å; P333-L516 VanDerWaalsContact O-CD1 3.29Å; P333-L516 WeakPolarHBondContact O-CD1 3.35Å; P333-L516 VanDerWaalsContact O-CD2 3.28Å; P333-L516 WeakPolarHBondContact O-CD2 3.37Å; P335-L516 VanDerWaalsContact CD-CD1 3.43Å; P335-L516 HydrophobicContact CG-CD1 3.63Å; L338-L516 HydrophobicContact CD1-CD2 4.26Å; R512-L516 PolarHBondContact O-N 3.38Å; N513-L516 WeakPolarHBondContact O-CB 3.35Å; N513-L516 PolarHBondContact O-N 3.06Å; L514-L516 VanDerWaalsContact C-N 3.28Å; L514-L516 PolarHBondContact O-N 2.92Å; L516-R518 PolarHBondContact O-N 3.19Å; L516-S519 WeakPolarHBondContact O-CA 3.17Å; L516-S519 WeakPolarHBondContact O-CB 3.36Å; L516-S519 PolarHBondContact O-N 3.47Å; L516-I520 HydrophobicContact CD1-CD1 3.86Å; L516-I520 HydrophobicContact CD1-CG1 4.21Å; L516-I520 HydrophobicContact CD2-CD1 3.89Å; L516-I520 HydrophobicContact CG-CD1 3.67Å; L516-I520 HydrophobicContact CG-CG1 4.28Å; L516-I520 PolarHBondContact O-N 3.02Å
517	I	87.7	Confident	84.4	Confident	4 Å²	4	32.6 Å²	32.6	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-53.9	-46.5	-176.9	-66.8	169.2	0	0	0	109.5	I316 F319 N513 L514 S519 I520 C521 M534	I316-I517 HydrophobicContact CD1-CG2 4.29Å; I316-I517 HydrophobicContact CG1-CG2 3.59Å; F319-I517 HydrophobicContact CB-CD1 3.49Å; F319-I517 VanDerWaalsContact CB-CD1 3.49Å; F319-I517 HydrophobicContact CB-CG1 4.18Å; F319-I517 HydrophobicContact CD2-CG1 4.31Å; F319-I517 HydrophobicContact CG-CD1 4.18Å; F319-I517 HydrophobicContact CG-CG1 4.36Å; N513-I517 WeakPolarHBondContact O-CG1 3.48Å; N513-I517 PolarHBondContact O-N 3.01Å; N513-I517 VanDerWaalsContact O-N 3.14Å; L514-I517 PolarHBondContact O-N 2.69Å; I517-S519 PolarHBondContact O-N 2.86Å; I517-I520 PolarHBondContact O-N 3.25Å; I517-C521 WeakPolarHBondContact O-CB 3.38Å; I517-C521 PolarHBondContact O-N 3.22Å; I517-C521 PolarHBondContact O-SG 3.41Å; I517-M534 HydrophobicContact CD1-CE 3.73Å
518	R	86.1	Confident	84.5	Confident	51 Å²	51	34.1 Å²	34.1	19%	0.192	18%	0.184	C	C	.	.	H	α-helix	trans	-58.5	-47.3	175.7	174.5	176.9	-174.4	178.4	3.9	111.8	Q463 L514 L516 R522	Q463-R518 PolarHBondContact O-NH1 3.22Å; Q463-R518 VanDerWaalsContact O-NH1 3.17Å; L514-R518 WeakPolarHBondContact O-CB 3.11Å; L514-R518 PolarHBondContact O-N 2.92Å; L516-R518 PolarHBondContact O-N 3.19Å; R518-R522 VanDerWaalsContact O-CB 3.23Å; R518-R522 WeakPolarHBondContact O-CB 3.44Å; R518-R522 PolarHBondContact O-N 3.44Å
519	S	85.1	Confident	84.8	Confident	73 Å²	73	34.4 Å²	34.4	51%	0.51	19%	0.186	S	C	.	.	H	α-helix	trans	-59.6	-45.8	-179.4	-172.3	0	0	0	0	111.5	N515 L516 I517 R522 S523	N515-S519 WeakPolarHBondContact O-CB 3.48Å; N515-S519 PolarHBondContact O-N 2.79Å; L516-S519 WeakPolarHBondContact O-CA 3.17Å; L516-S519 WeakPolarHBondContact O-CB 3.36Å; L516-S519 PolarHBondContact O-N 3.47Å; I517-S519 PolarHBondContact O-N 2.86Å; S519-R522 PolarHBondContact O-N 2.88Å; S519-S523 PolarHBondContact O-N 3.46Å
520	I	89.1	Confident	85.3	Confident	3 Å²	3	34.3 Å²	34.3	2%	0.015	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-53	177.9	-64.4	170.2	0	0	0	110.8	I295 L315 P335 L338 L516 I517 R522 S523 H524	I295-I520 HydrophobicContact CD1-CD1 4.42Å; I295-I520 HydrophobicContact CD1-CG2 3.8Å; I295-I520 HydrophobicContact CG1-CG2 3.9Å; I295-I520 HydrophobicContact CG2-CD1 3.97Å; I295-I520 HydrophobicContact CG2-CG1 4.3Å; I295-I520 HydrophobicContact CG2-CG2 4.27Å; L315-I520 HydrophobicContact CD2-CB 3.99Å; L315-I520 HydrophobicContact CD2-CD1 4.07Å; L315-I520 HydrophobicContact CD2-CG2 3.7Å; P335-I520 HydrophobicContact CB-CD1 4.43Å; P335-I520 HydrophobicContact CB-CG1 4.31Å; P335-I520 HydrophobicContact CG-CD1 4.4Å; P335-I520 HydrophobicContact CG-CG1 4.12Å; L338-I520 HydrophobicContact CD1-CD1 3.56Å; L516-I520 HydrophobicContact CD1-CD1 3.86Å; L516-I520 HydrophobicContact CD1-CG1 4.21Å; L516-I520 HydrophobicContact CD2-CD1 3.89Å; L516-I520 HydrophobicContact CG-CD1 3.67Å; L516-I520 HydrophobicContact CG-CG1 4.28Å; L516-I520 PolarHBondContact O-N 3.02Å; I517-I520 PolarHBondContact O-N 3.25Å; I520-R522 PolarHBondContact O-N 3.41Å; I520-S523 WeakPolarHBondContact O-CA 3.44Å; I520-S523 WeakPolarHBondContact O-CB 3.35Å; I520-S523 PolarHBondContact O-N 3.43Å; I520-S523 PolarHBondContact O-OG 3.24Å; I520-H524 PolarHBondContact O-N 3.15Å
521	C	90.3	Very high	85.5	Confident	2 Å²	2	34.7 Å²	34.7	1%	0.014	19%	0.186	C	C	.	.	H	α-helix	trans	-58.2	-38.4	179.1	-66.4	0	0	0	0	111.8	I517 H524 G525 D526	I517-C521 WeakPolarHBondContact O-CB 3.38Å; I517-C521 PolarHBondContact O-N 3.22Å; I517-C521 PolarHBondContact O-SG 3.41Å; C521-H524 WeakPolarHBondContact O-CB 3.3Å; C521-H524 PolarHBondContact O-N 3.48Å; C521-G525 PolarHBondContact O-N 3.49Å; C521-D526 WeakPolarHBondContact O-CA 3.46Å; C521-D526 PolarHBondContact O-N 3.35Å
522	R	87.8	Confident	85.5	Confident	175 Å²	175	35.2 Å²	35.2	66%	0.66	19%	0.19	S	C	*	.	H	α-helix	trans	-62.7	-43.2	174.9	-173.5	178.3	-178.8	179.7	-1.6	111.6	R518 S519 I520 H524 G525 D526	R518-R522 VanDerWaalsContact O-CB 3.23Å; R518-R522 WeakPolarHBondContact O-CB 3.44Å; R518-R522 PolarHBondContact O-N 3.44Å; S519-R522 PolarHBondContact O-N 2.88Å; I520-R522 PolarHBondContact O-N 3.41Å; R522-H524 PolarHBondContact O-N 3.21Å; R522-G525 PolarHBondContact O-N 3.08Å; R522-D526 PolarHBondContact N-OD1 2.98Å
523	S	88.1	Confident	85.8	Confident	58 Å²	58	33.8 Å²	33.8	41%	0.406	19%	0.187	S	C	.	.	H	α-helix	trans	-62.9	-29.2	175.7	79.8	0	0	0	0	112.8	S519 I520 G525	S519-S523 PolarHBondContact O-N 3.46Å; I520-S523 WeakPolarHBondContact O-CA 3.44Å; I520-S523 WeakPolarHBondContact O-CB 3.35Å; I520-S523 PolarHBondContact O-N 3.43Å; I520-S523 PolarHBondContact O-OG 3.24Å; S523-G525 VanDerWaalsContact C-N 3.3Å
524	H	91.8	Very high	86	Confident	5 Å²	5	34.2 Å²	34.2	2%	0.023	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-8.3	175.2	-67.7	176.7	0	0	0	114	I295 L308 D312 I520 C521 R522	I295-H524 PolarHBondContact O-NE2 2.94Å; L308-H524 HydrophobicContact CB-CB 4.23Å; L308-H524 HydrophobicContact CD1-CB 4.12Å; D312-H524 IonicContact OD1-CE1 2.66Å; D312-H524 PolarHBondContact OD1-CE1 3.25Å; D312-H524 IonicContact OD1-CG 2.76Å; D312-H524 IonicContact OD1-ND1 3.41Å; D312-H524 PolarHBondContact OD1-ND1 2.95Å; D312-H524 IonicContact OD2-CG 3.23Å; D312-H524 IonicContact OD2-ND1 3.62Å; I520-H524 PolarHBondContact O-N 3.15Å; C521-H524 WeakPolarHBondContact O-CB 3.3Å; C521-H524 PolarHBondContact O-N 3.48Å; R522-H524 PolarHBondContact O-N 3.21Å
525	G	87.9	Confident	86.1	Confident	46 Å²	46	33.5 Å²	33.5	47%	0.474	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	95.9	16.8	-179.1	0	0	0	0	0	114.6	C521 R522 S523	C521-G525 PolarHBondContact O-N 3.49Å; R522-G525 PolarHBondContact O-N 3.08Å; S523-G525 VanDerWaalsContact C-N 3.3Å
526	D	85.9	Confident	86.2	Confident	22 Å²	22	32.3 Å²	32.3	12%	0.118	18%	0.179	C	C	.	.			trans	51.8	51.1	180	-74.6	-51.7	0	0	0	114.1	S475 Q476 C521 R522 I528 R530	S475-D526 WeakPolarHBondContact OG-CB 3.02Å; S475-D526 PolarHBondContact OG-O 2.92Å; Q476-D526 HydrophobicContact CG-CB 4.39Å; C521-D526 WeakPolarHBondContact O-CA 3.46Å; C521-D526 PolarHBondContact O-N 3.35Å; R522-D526 PolarHBondContact N-OD1 2.98Å; D526-I528 PolarHBondContact O-N 3.22Å; D526-I528 VanDerWaalsContact O-N 3.12Å; D526-R530 IonicContact OD1-NH1 3.47Å
527	P	84.2	Confident	86.5	Confident	62 Å²	62	31.9 Å²	31.9	40%	0.403	18%	0.177	S	C	.	.			trans	-69.6	-10.5	-172.6	30.9	-37.8	0	0	0	114.4	L308 A309 D312	L308-P527 HydrophobicContact CB-CG 4.46Å; A309-P527 HydrophobicContact CB-CB 3.99Å; A309-P527 HydrophobicContact CB-CG 4.25Å; D312-P527 VanDerWaalsContact OD2-CD 3.26Å; D312-P527 WeakPolarHBondContact OD2-CD 3.22Å; D312-P527 VanDerWaalsContact OD2-CG 3.26Å; D312-P527 WeakPolarHBondContact OD2-CG 3.4Å
528	I	84.1	Confident	86.7	Confident	33 Å²	33	31.7 Å²	31.7	17%	0.169	18%	0.177	C	C	.	.	S	Bend	trans	-133.2	156.5	-174.9	61.4	166.6	0	0	0	112.7	A309 D312 I316 D526 R530 L533	A309-I528 HydrophobicContact CB-CG2 3.84Å; D312-I528 VanDerWaalsContact C-CD1 3.46Å; D312-I528 HydrophobicContact CB-CD1 3.39Å; D312-I528 HydrophobicContact CB-CG1 3.8Å; I316-I528 HydrophobicContact CD1-CD1 3.6Å; I316-I528 HydrophobicContact CD1-CG1 4.37Å; D526-I528 PolarHBondContact O-N 3.22Å; D526-I528 VanDerWaalsContact O-N 3.12Å; I528-R530 PolarHBondContact O-N 3.36Å; I528-R530 VanDerWaalsContact O-N 3.17Å; I528-L533 HydrophobicContact CD1-CD1 3.68Å
529	D	82.2	Confident	86.9	Confident	31 Å²	31	29.6 Å²	29.6	17%	0.166	17%	0.169	C	C	.	.			trans	-79.7	94.8	169.1	-179.4	-9.8	0	0	0	109.8	H531 S532 L533	D529-H531 VanDerWaalsContact C-N 3.25Å; D529-H531 PolarHBondContact O-N 2.9Å; D529-H531 PolarHBondContact OD1-N 3.29Å; D529-S532 PolarHBondContact O-N 3.07Å; D529-S532 PolarHBondContact OD1-N 2.81Å; D529-S532 WeakPolarHBondContact OD2-CB 3.34Å; D529-S532 PolarHBondContact OD2-OG 3.14Å; D529-L533 PolarHBondContact O-N 3.25Å
530	R	86.3	Confident	87	Confident	16 Å²	16	27.5 Å²	27.5	6%	0.06	15%	0.152	C	C	.	.	H	α-helix	trans	-59.1	-35.8	179.5	63.8	172.8	179.7	-109.7	-7.4	113.4	I316 S475 D526 I528 L533 M534	I316-R530 HydrophobicContact CD1-CB 3.43Å; I316-R530 VanDerWaalsContact CD1-CB 3.43Å; S475-R530 PolarHBondContact O-NH1 2.89Å; S475-R530 PolarHBondContact O-NH2 2.83Å; S475-R530 VanDerWaalsContact O-NH2 3.08Å; D526-R530 IonicContact OD1-NH1 3.47Å; I528-R530 PolarHBondContact O-N 3.36Å; I528-R530 VanDerWaalsContact O-N 3.17Å; R530-L533 PolarHBondContact O-N 3.34Å; R530-M534 VanDerWaalsContact O-CG 3.29Å; R530-M534 WeakPolarHBondContact O-CG 3.34Å; R530-M534 PolarHBondContact O-N 2.75Å
531	H	84.2	Confident	87	Confident	10 Å²	10	27.3 Å²	27.3	5%	0.046	15%	0.151	C	C	.	.	H	α-helix	trans	-69.7	-46	-175.2	-66.6	-74.5	0	0	0	108.9	L473 D529 L533 M534 I535	L473-H531 HydrophobicContact CB-CB 3.75Å; L473-H531 HydrophobicContact CD1-CB 3.78Å; L473-H531 HydrophobicContact CG-CB 4.43Å; D529-H531 VanDerWaalsContact C-N 3.25Å; D529-H531 PolarHBondContact O-N 2.9Å; D529-H531 PolarHBondContact OD1-N 3.29Å; H531-L533 VanDerWaalsContact C-N 3.28Å; H531-L533 PolarHBondContact O-N 3.48Å; H531-M534 WeakPolarHBondContact O-CB 3.39Å; H531-M534 PolarHBondContact O-N 2.94Å; H531-M534 VanDerWaalsContact O-N 3.08Å; H531-I535 VanDerWaalsContact C-CD1 3.48Å; H531-I535 WeakPolarHBondContact O-CD1 3.45Å; H531-I535 WeakPolarHBondContact O-CG1 3.35Å; H531-I535 PolarHBondContact O-N 2.84Å
532	S	81.7	Confident	87	Confident	16 Å²	16	28.7 Å²	28.7	11%	0.112	16%	0.161	C	C	.	.	H	α-helix	trans	-49.5	-44.8	173.6	-73.9	0	0	0	0	113.5	D529 I535 D536 L574	D529-S532 PolarHBondContact O-N 3.07Å; D529-S532 PolarHBondContact OD1-N 2.81Å; D529-S532 WeakPolarHBondContact OD2-CB 3.34Å; D529-S532 PolarHBondContact OD2-OG 3.14Å; S532-I535 WeakPolarHBondContact O-CB 3.31Å; S532-I535 PolarHBondContact O-N 3.42Å; S532-D536 PolarHBondContact O-N 2.95Å; S532-L574 WeakPolarHBondContact OG-CD1 3.28Å
533	L	84.9	Confident	86.9	Confident	31 Å²	31	25.4 Å²	25.4	16%	0.162	15%	0.148	C	C	.	.	H	α-helix	trans	-75.1	-32.4	178.7	-70.2	-179.1	0	0	0	114.4	I316 I528 D529 R530 H531 I535 D536 S537	I316-L533 HydrophobicContact CB-CB 4.41Å; I316-L533 HydrophobicContact CB-CD1 4.27Å; I316-L533 HydrophobicContact CD1-CD1 4.3Å; I316-L533 HydrophobicContact CG2-CB 3.49Å; I316-L533 VanDerWaalsContact CG2-CB 3.49Å; I316-L533 HydrophobicContact CG2-CD1 4.21Å; I528-L533 HydrophobicContact CD1-CD1 3.68Å; D529-L533 PolarHBondContact O-N 3.25Å; R530-L533 PolarHBondContact O-N 3.34Å; H531-L533 VanDerWaalsContact C-N 3.28Å; H531-L533 PolarHBondContact O-N 3.48Å; L533-I535 PolarHBondContact O-N 2.89Å; L533-D536 WeakPolarHBondContact O-CB 3.38Å; L533-D536 PolarHBondContact O-N 3.27Å; L533-S537 PolarHBondContact O-N 3.39Å; L533-S537 PolarHBondContact O-OG 3.19Å
534	M	87.9	Confident	86.8	Confident	8 Å²	8	23.3 Å²	23.3	4%	0.039	13%	0.133	C	C	.	.	H	α-helix	trans	-62.3	-35.5	172.4	-76	-86.9	126.7	0	0	110.9	I316 F324 Y431 L514 I517 R530 H531 S537 A538	I316-M534 HydrophobicContact CB-CE 4.37Å; I316-M534 HydrophobicContact CG2-CE 3.53Å; I316-M534 HydrophobicContact CG2-CG 4.12Å; I316-M534 WeakPolarHBondContact O-CE 3.44Å; F324-M534 HydrophobicContact CE2-CB 4.28Å; F324-M534 WeakPolarHBondContact CE2-O 3.45Å; F324-M534 HydrophobicContact CE2-SD 3.71Å; F324-M534 HydrophobicContact CZ-SD 4.4Å; Y431-M534 HydrophobicContact CE1-CB 4.22Å; L514-M534 HydrophobicContact CD2-SD 3.81Å; I517-M534 HydrophobicContact CD1-CE 3.73Å; R530-M534 VanDerWaalsContact O-CG 3.29Å; R530-M534 WeakPolarHBondContact O-CG 3.34Å; R530-M534 PolarHBondContact O-N 2.75Å; H531-M534 WeakPolarHBondContact O-CB 3.39Å; H531-M534 PolarHBondContact O-N 2.94Å; H531-M534 VanDerWaalsContact O-N 3.08Å; M534-S537 CarbonylContact O-C 3.46Å; M534-S537 WeakPolarHBondContact O-CB 3.41Å; M534-S537 PolarHBondContact O-N 3.43Å; M534-A538 WeakPolarHBondContact O-CB 3.3Å; M534-A538 PolarHBondContact O-N 2.89Å
535	I	86.3	Confident	86.3	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-72.7	-39.2	-179.1	-62.1	156	0	0	0	110.9	L435 H531 S532 L533 S537 A538 I539 Y570	L435-I535 HydrophobicContact CD1-CB 3.9Å; L435-I535 HydrophobicContact CD1-CD1 3.32Å; L435-I535 HydrophobicContact CD1-CG1 3.4Å; L435-I535 VanDerWaalsContact CD1-CG1 3.4Å; L435-I535 HydrophobicContact CD1-CG2 3.28Å; L435-I535 HydrophobicContact CD2-CD1 3.12Å; L435-I535 HydrophobicContact CD2-CG1 3.95Å; L435-I535 HydrophobicContact CG-CD1 3.66Å; L435-I535 HydrophobicContact CG-CG1 4.03Å; H531-I535 VanDerWaalsContact C-CD1 3.48Å; H531-I535 WeakPolarHBondContact O-CD1 3.45Å; H531-I535 WeakPolarHBondContact O-CG1 3.35Å; H531-I535 PolarHBondContact O-N 2.84Å; S532-I535 WeakPolarHBondContact O-CB 3.31Å; S532-I535 PolarHBondContact O-N 3.42Å; L533-I535 PolarHBondContact O-N 2.89Å; I535-S537 PolarHBondContact O-N 3.31Å; I535-A538 PolarHBondContact O-N 3.23Å; I535-A538 VanDerWaalsContact O-N 3.09Å; I535-I539 HydrophobicContact CG2-CD1 3.68Å; I535-I539 HydrophobicContact CG2-CG1 4.19Å; I535-I539 WeakPolarHBondContact O-CB 3.37Å; I535-I539 WeakPolarHBondContact O-CG1 3.47Å; I535-I539 PolarHBondContact O-N 3.5Å; I535-Y570 HydrophobicContact CB-CE1 4.29Å; I535-Y570 HydrophobicContact CD1-CE1 4.25Å; I535-Y570 HydrophobicContact CD1-CE2 4.37Å; I535-Y570 WeakPolarHBondContact CD1-OH 3.4Å; I535-Y570 HydrophobicContact CG2-CD1 4.09Å; I535-Y570 HydrophobicContact CG2-CD2 4.42Å; I535-Y570 HydrophobicContact CG2-CE1 3.83Å; I535-Y570 HydrophobicContact CG2-CE2 4.2Å; I535-Y570 HydrophobicContact CG2-CG 4.38Å
536	D	86.8	Confident	85.7	Confident	14 Å²	14	25.2 Å²	25.2	8%	0.075	14%	0.135	C	C	.	.	H	α-helix	trans	-55.4	-39.7	172.5	-70.6	-10	0	0	0	111	Y396 S532 L533 L540 L567 H571	Y396-D536 WeakPolarHBondContact OH-CB 3.46Å; Y396-D536 PolarHBondContact OH-O 3.49Å; S532-D536 PolarHBondContact O-N 2.95Å; L533-D536 WeakPolarHBondContact O-CB 3.38Å; L533-D536 PolarHBondContact O-N 3.27Å; D536-L540 WeakPolarHBondContact O-CB 3.44Å; D536-L540 PolarHBondContact O-N 2.78Å; D536-L567 HydrophobicContact CB-CD2 4.19Å; D536-L567 WeakPolarHBondContact OD1-CD2 3.49Å; D536-H571 IonicContact OD1-CE1 3.63Å; D536-H571 PolarHBondContact OD1-CE1 3.14Å; D536-H571 IonicContact OD1-NE2 3.82Å; D536-H571 PolarHBondContact OD1-NE2 3.1Å; D536-H571 IonicContact OD2-CE1 2.85Å; D536-H571 PolarHBondContact OD2-CE1 2.82Å; D536-H571 IonicContact OD2-NE2 3.07Å
537	S	88.9	Confident	85.1	Confident	8 Å²	8	25.8 Å²	25.8	6%	0.056	14%	0.141	C	C	.	.	H	α-helix	trans	-72.6	-40.7	174.8	-54.5	0	0	0	0	112.3	F324 L533 M534 I535 L540 G541	F324-S537 WeakPolarHBondContact CB-O 3.4Å; L533-S537 PolarHBondContact O-N 3.39Å; L533-S537 PolarHBondContact O-OG 3.19Å; M534-S537 CarbonylContact O-C 3.46Å; M534-S537 WeakPolarHBondContact O-CB 3.41Å; M534-S537 PolarHBondContact O-N 3.43Å; I535-S537 PolarHBondContact O-N 3.31Å; S537-L540 PolarHBondContact O-N 2.76Å; S537-G541 PolarHBondContact O-N 3.36Å
538	A	91.3	Very high	84.1	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-65.5	-42.3	178.2	0	0	0	0	0	113	F324 C428 M534 I535 G541 S542	F324-A538 HydrophobicContact CD1-CB 3.85Å; F324-A538 HydrophobicContact CD2-CB 4.4Å; F324-A538 HydrophobicContact CE1-CB 3.96Å; F324-A538 HydrophobicContact CG-CB 4.07Å; F324-A538 HydrophobicContact CZ-CB 4.3Å; C428-A538 HydrophobicContact CB-CB 4.49Å; C428-A538 WeakPolarHBondContact CB-O 3.4Å; C428-A538 PolarHBondContact SG-O 2.94Å; M534-A538 WeakPolarHBondContact O-CB 3.3Å; M534-A538 PolarHBondContact O-N 2.89Å; I535-A538 PolarHBondContact O-N 3.23Å; I535-A538 VanDerWaalsContact O-N 3.09Å; A538-G541 PolarHBondContact O-N 3.47Å; A538-S542 WeakPolarHBondContact O-CB 3.46Å; A538-S542 PolarHBondContact O-N 2.86Å
539	I	90	Very high	83	Confident	8 Å²	8	37.6 Å²	37.6	4%	0.041	19%	0.191	C	C	.	.	H	α-helix	trans	-64.7	-44.5	176.9	-69.1	167.9	0	0	0	109.8	Q432 I535 S542 V563 T566 L567	Q432-I539 HydrophobicContact CG-CG1 4.01Å; I535-I539 HydrophobicContact CG2-CD1 3.68Å; I535-I539 HydrophobicContact CG2-CG1 4.19Å; I535-I539 WeakPolarHBondContact O-CB 3.37Å; I535-I539 WeakPolarHBondContact O-CG1 3.47Å; I535-I539 PolarHBondContact O-N 3.5Å; I539-S542 PolarHBondContact O-N 3.31Å; I539-S542 PolarHBondContact O-OG 3.3Å; I539-V563 HydrophobicContact CG2-CG1 4.34Å; I539-T566 HydrophobicContact CD1-CG2 4.25Å; I539-T566 HydrophobicContact CG1-CG2 4.49Å; I539-T566 HydrophobicContact CG2-CG2 3.87Å; I539-L567 HydrophobicContact CB-CD2 3.94Å; I539-L567 HydrophobicContact CD1-CD2 3.76Å; I539-L567 HydrophobicContact CG1-CD2 4.44Å; I539-L567 HydrophobicContact CG2-CD2 4Å; I539-L567 HydrophobicContact CG2-CG 4.04Å
540	L	87.5	Confident	82.3	Confident	28 Å²	28	38.3 Å²	38.3	15%	0.147	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-51.7	174.6	178.9	65.6	0	0	0	111	Y396 D536 S537 S542 R543 I544 L555 V563	Y396-L540 HydrophobicContact CE2-CD2 4.16Å; D536-L540 WeakPolarHBondContact O-CB 3.44Å; D536-L540 PolarHBondContact O-N 2.78Å; S537-L540 PolarHBondContact O-N 2.76Å; L540-S542 VanDerWaalsContact C-N 3.26Å; L540-S542 PolarHBondContact O-N 2.92Å; L540-R543 PolarHBondContact O-N 3.33Å; L540-R543 VanDerWaalsContact O-N 3.16Å; L540-I544 HydrophobicContact CD1-CD1 4.38Å; L540-I544 HydrophobicContact CD2-CD1 4.42Å; L540-I544 HydrophobicContact CG-CD1 3.9Å; L540-I544 PolarHBondContact O-N 3.31Å; L540-L555 HydrophobicContact CD1-CD1 3.53Å; L540-V563 HydrophobicContact CB-CG1 4.48Å; L540-V563 HydrophobicContact CD1-CG1 4.08Å
541	G	88.7	Confident	81.6	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.1	-34.2	-179.7	0	0	0	0	0	114.1	F324 R424 S537 A538 R543 I544	F324-G541 WeakPolarHBondContact O-CA 3.48Å; R424-G541 PolarHBondContact NH1-O 3.38Å; S537-G541 PolarHBondContact O-N 3.36Å; A538-G541 PolarHBondContact O-N 3.47Å; G541-R543 PolarHBondContact O-N 2.9Å; G541-R543 VanDerWaalsContact O-N 3.1Å; G541-I544 PolarHBondContact O-N 2.86Å; G541-I544 VanDerWaalsContact O-N 3.14Å
542	S	89.8	Confident	81.2	Confident	30 Å²	30	46.9 Å²	46.9	21%	0.21	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.3	178.4	77.4	0	0	0	0	114.1	A538 I539 L540	A538-S542 WeakPolarHBondContact O-CB 3.46Å; A538-S542 PolarHBondContact O-N 2.86Å; I539-S542 PolarHBondContact O-N 3.31Å; I539-S542 PolarHBondContact O-OG 3.3Å; L540-S542 VanDerWaalsContact C-N 3.26Å; L540-S542 PolarHBondContact O-N 2.92Å
543	R	87.5	Confident	81	Confident	106 Å²	106	50.2 Å²	50.2	40%	0.4	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-19.9	179	-62.4	-61.1	-178.2	166.9	-5	113.3	L540 G541 L555 D559 V563	L540-R543 PolarHBondContact O-N 3.33Å; L540-R543 VanDerWaalsContact O-N 3.16Å; G541-R543 PolarHBondContact O-N 2.9Å; G541-R543 VanDerWaalsContact O-N 3.1Å; R543-L555 HydrophobicContact CB-CD2 3.57Å; R543-L555 WeakPolarHBondContact O-CD2 3.32Å; R543-D559 HydrophobicContact CB-CB 4.44Å; R543-V563 HydrophobicContact CB-CG2 4.01Å; R543-V563 HydrophobicContact CG-CG2 3.63Å
544	I	84.8	Confident	80.5	Confident	15 Å²	15	53.6 Å²	53.6	8%	0.077	29%	0.285	C	S	.	.			trans	-70.4	134.3	178.3	-68.8	173.7	0	0	0	109.4	C325 R424 K425 L540 G541 L552 L555	C325-I544 HydrophobicContact CB-CD1 3.54Å; C325-I544 WeakPolarHBondContact O-CG2 3.49Å; R424-I544 PolarHBondContact NH2-O 3.12Å; K425-I544 VanDerWaalsContact CE-O 3.3Å; K425-I544 WeakPolarHBondContact CE-O 3.28Å; L540-I544 HydrophobicContact CD1-CD1 4.38Å; L540-I544 HydrophobicContact CD2-CD1 4.42Å; L540-I544 HydrophobicContact CG-CD1 3.9Å; L540-I544 PolarHBondContact O-N 3.31Å; G541-I544 PolarHBondContact O-N 2.86Å; G541-I544 VanDerWaalsContact O-N 3.14Å; I544-L552 HydrophobicContact CG2-CD2 3.32Å; I544-L555 HydrophobicContact CG1-CD1 4.11Å; I544-L555 HydrophobicContact CG1-CD2 4.06Å; I544-L555 HydrophobicContact CG1-CG 4.04Å
545	T	81.5	Confident	80.1	Confident	54 Å²	54	54.5 Å²	54.5	33%	0.331	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	148	178.2	-56.8	0	0	0	0	108.6	K425 I553	K425-T545 PolarHBondContact NZ-OG1 2.94Å; T545-I553 WeakPolarHBondContact O-CB 3.28Å; T545-I553 PolarHBondContact O-N 3.16Å
546	T	75.6	Confident	79.9	Confident	37 Å²	37	56.8 Å²	56.8	23%	0.227	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	146.3	175.8	49.8	0	0	0	0	109.8	K551 L552	T546-K551 CarbonylContact C-O 3.06Å; T546-K551 WeakPolarHBondContact CA-O 3.38Å; T546-L552 HydrophobicContact CG2-CD2 4.12Å
547	S	72.9	Confident	79.5	Confident	34 Å²	34	64.8 Å²	64.8	24%	0.238	34%	0.335	C	S	.	.			trans	-67.7	170.3	169.2	64.6	0	0	0	0	110.5	S549 G550 K551	S547-S549 PolarHBondContact O-N 3.48Å; S547-S549 PolarHBondContact OG-N 3.4Å; S547-S549 PolarHBondContact OG-OG 3.27Å; S547-G550 PolarHBondContact O-N 3.11Å; S547-K551 PolarHBondContact N-O 3.47Å; S547-K551 PolarHBondContact OG-N 2.81Å; S547-K551 VanDerWaalsContact OG-N 3.09Å; S547-K551 PolarHBondContact OG-O 3.45Å
548	Y	63.9	Low	79.3	Confident	252 Å²	252	67.6 Å²	67.6	99%	0.988	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-28.5	171	-168.4	-94.8	0	0	0	112.5	G550	Y548-G550 PolarHBondContact O-N 3.1Å
549	S	60.6	Low	78.9	Confident	90 Å²	90	69.4 Å²	69.4	63%	0.629	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	8.1	174.3	55.8	0	0	0	0	114.5	S547 K551	S547-S549 PolarHBondContact O-N 3.48Å; S547-S549 PolarHBondContact OG-N 3.4Å; S547-S549 PolarHBondContact OG-OG 3.27Å; S549-K551 PolarHBondContact O-N 2.67Å
550	G	66.9	Low	78.5	Confident	47 Å²	47	74.2 Å²	74.2	49%	0.485	38%	0.376	S	S	.	.	S	Bend	trans	78.6	-7.7	-178.8	0	0	0	0	0	115	S547 Y548	S547-G550 PolarHBondContact O-N 3.11Å; Y548-G550 PolarHBondContact O-N 3.1Å
551	K	71.5	Confident	78.2	Confident	153 Å²	153	75.4 Å²	75.4	67%	0.665	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-72.1	140.2	-179	-65.3	-172.6	177.2	-177.2	0	111.7	T546 S547 S549 I553	T546-K551 CarbonylContact C-O 3.06Å; T546-K551 WeakPolarHBondContact CA-O 3.38Å; S547-K551 PolarHBondContact N-O 3.47Å; S547-K551 PolarHBondContact OG-N 2.81Å; S547-K551 VanDerWaalsContact OG-N 3.09Å; S547-K551 PolarHBondContact OG-O 3.45Å; S549-K551 PolarHBondContact O-N 2.67Å; K551-I553 PolarHBondContact O-N 3.44Å
552	L	75.7	Confident	78	Confident	53 Å²	53	80.9 Å²	80.9	28%	0.277	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	125.2	176.9	-70.5	155.6	0	0	0	111.2	C325 T326 I544 T546 P554	C325-L552 WeakPolarHBondContact O-CD2 3.36Å; T326-L552 HydrophobicContact CG2-CD1 3.52Å; I544-L552 HydrophobicContact CG2-CD2 3.32Å; T546-L552 HydrophobicContact CG2-CD2 4.12Å; L552-P554 WeakPolarHBondContact O-CD 3.26Å
553	I	77.6	Confident	77.7	Confident	85 Å²	85	79.8 Å²	79.8	44%	0.436	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	122.9	174.5	-58.1	173.7	0	0	0	107.9	T545 K551 L555	T545-I553 WeakPolarHBondContact O-CB 3.28Å; T545-I553 PolarHBondContact O-N 3.16Å; K551-I553 PolarHBondContact O-N 3.44Å; I553-L555 PolarHBondContact O-N 3.37Å
554	P	74.5	Confident	77.3	Confident	103 Å²	103	75.6 Å²	75.6	67%	0.669	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-56.6	134.3	176.4	-23.9	32.9	0	0	0	111.4	L552 S556	L552-P554 WeakPolarHBondContact O-CD 3.26Å; P554-S556 PolarHBondContact O-N 2.87Å
555	L	79.7	Confident	77.3	Confident	27 Å²	27	79.6 Å²	79.6	14%	0.141	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-57.8	131.8	177.3	-71.3	168.5	0	0	0	111.3	L540 R543 I544 I553 D559 R560	L540-L555 HydrophobicContact CD1-CD1 3.53Å; R543-L555 HydrophobicContact CB-CD2 3.57Å; R543-L555 WeakPolarHBondContact O-CD2 3.32Å; I544-L555 HydrophobicContact CG1-CD1 4.11Å; I544-L555 HydrophobicContact CG1-CD2 4.06Å; I544-L555 HydrophobicContact CG1-CG 4.04Å; I553-L555 PolarHBondContact O-N 3.37Å; L555-D559 HydrophobicContact CD2-CB 3.98Å; L555-R560 HydrophobicContact CB-CG 3.69Å; L555-R560 HydrophobicContact CD1-CG 4.4Å; L555-R560 PolarHBondContact O-NE 2.88Å
556	S	81.8	Confident	77.5	Confident	48 Å²	48	79.6 Å²	79.6	34%	0.336	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-57.1	155.6	168.7	81.5	0	0	0	0	110.2	P554 I558 D559 R560	P554-S556 PolarHBondContact O-N 2.87Å; S556-I558 PolarHBondContact O-N 2.9Å; S556-D559 PolarHBondContact O-N 3.33Å; S556-D559 VanDerWaalsContact OG-CG 3.25Å; S556-D559 PolarHBondContact OG-N 2.88Å; S556-D559 VanDerWaalsContact OG-N 3.08Å; S556-D559 PolarHBondContact OG-OD2 2.92Å; S556-R560 WeakPolarHBondContact O-CG 3.27Å; S556-R560 PolarHBondContact O-N 2.89Å
557	W	78.8	Confident	78	Confident	182 Å²	182	78 Å²	78	69%	0.689	39%	0.391	S	S	*	.	H	α-helix	trans	-60.7	-33.1	178.4	71.6	-93.2	0	0	0	112	R560 L561	W557-R560 PolarHBondContact O-N 3.43Å; W557-L561 HydrophobicContact CZ3-CD2 4.31Å; W557-L561 WeakPolarHBondContact O-CB 3.44Å; W557-L561 PolarHBondContact O-N 3.11Å
558	I	84.9	Confident	78.3	Confident	68 Å²	68	79 Å²	79	35%	0.349	39%	0.392	S	S	.	.	H	α-helix	trans	-65.2	-46.7	176.7	-59.5	177.5	0	0	0	109.8	S556 L561 R562	S556-I558 PolarHBondContact O-N 2.9Å; I558-L561 WeakPolarHBondContact O-CB 3.3Å; I558-L561 PolarHBondContact O-N 2.87Å; I558-R562 WeakPolarHBondContact O-CG 3.46Å; I558-R562 PolarHBondContact O-N 3.45Å
559	D	83.7	Confident	79.4	Confident	37 Å²	37	75.3 Å²	75.3	20%	0.198	38%	0.377	C	S	.	.	H	α-helix	trans	-68.4	-37.2	179.8	-63.6	-49	0	0	0	111.6	R543 L555 S556 L561 R562 V563	R543-D559 HydrophobicContact CB-CB 4.44Å; L555-D559 HydrophobicContact CD2-CB 3.98Å; S556-D559 PolarHBondContact O-N 3.33Å; S556-D559 VanDerWaalsContact OG-CG 3.25Å; S556-D559 PolarHBondContact OG-N 2.88Å; S556-D559 VanDerWaalsContact OG-N 3.08Å; S556-D559 PolarHBondContact OG-OD2 2.92Å; D559-L561 VanDerWaalsContact C-N 3.32Å; D559-L561 PolarHBondContact O-N 2.85Å; D559-R562 PolarHBondContact O-N 2.86Å; D559-R562 IonicContact OD1-NH1 2.99Å; D559-R562 PolarHBondContact OD1-NH1 3.32Å; D559-V563 WeakPolarHBondContact O-CB 3.46Å; D559-V563 VanDerWaalsContact O-CG2 3.29Å; D559-V563 WeakPolarHBondContact O-CG2 3.29Å; D559-V563 PolarHBondContact O-N 3.41Å
560	R	81.2	Confident	80.5	Confident	109 Å²	109	72 Å²	72	41%	0.411	35%	0.35	S	S	.	.	H	α-helix	trans	-59.1	-43.7	171.2	-69.5	177.5	-168.9	-124.3	-2.5	111.8	L555 S556 W557 V563 N564	L555-R560 HydrophobicContact CB-CG 3.69Å; L555-R560 HydrophobicContact CD1-CG 4.4Å; L555-R560 PolarHBondContact O-NE 2.88Å; S556-R560 WeakPolarHBondContact O-CG 3.27Å; S556-R560 PolarHBondContact O-N 2.89Å; W557-R560 PolarHBondContact O-N 3.43Å; R560-V563 PolarHBondContact O-N 3.19Å; R560-N564 WeakPolarHBondContact O-CB 3.4Å; R560-N564 PolarHBondContact O-N 3.4Å
561	L	80.2	Confident	81.2	Confident	54 Å²	54	72.1 Å²	72.1	28%	0.283	34%	0.338	S	S	.	.	H	α-helix	trans	-63.4	-45.7	176.8	-179.1	63.4	0	0	0	111	F394 W557 I558 D559 N564 I565	F394-L561 HydrophobicContact CE2-CD1 4.48Å; W557-L561 HydrophobicContact CZ3-CD2 4.31Å; W557-L561 WeakPolarHBondContact O-CB 3.44Å; W557-L561 PolarHBondContact O-N 3.11Å; I558-L561 WeakPolarHBondContact O-CB 3.3Å; I558-L561 PolarHBondContact O-N 2.87Å; D559-L561 VanDerWaalsContact C-N 3.32Å; D559-L561 PolarHBondContact O-N 2.85Å; L561-N564 PolarHBondContact O-N 3.34Å; L561-I565 HydrophobicContact CD1-CD1 4.14Å; L561-I565 HydrophobicContact CD1-CG1 4.39Å; L561-I565 HydrophobicContact CG-CD1 3.9Å; L561-I565 VanDerWaalsContact O-CG1 3.3Å; L561-I565 WeakPolarHBondContact O-CG1 3.31Å; L561-I565 PolarHBondContact O-N 3.38Å
562	R	85.1	Confident	81.7	Confident	115 Å²	115	70.7 Å²	70.7	43%	0.434	33%	0.329	S	S	.	.	H	α-helix	trans	-60.7	-45.2	176.5	-73.2	176.1	-173.2	156.1	-4.9	112.5	I558 D559 N564 I565 T566	I558-R562 WeakPolarHBondContact O-CG 3.46Å; I558-R562 PolarHBondContact O-N 3.45Å; D559-R562 PolarHBondContact O-N 2.86Å; D559-R562 IonicContact OD1-NH1 2.99Å; D559-R562 PolarHBondContact OD1-NH1 3.32Å; R562-N564 VanDerWaalsContact C-N 3.32Å; R562-I565 PolarHBondContact O-N 3.25Å; R562-T566 WeakPolarHBondContact O-CB 3.47Å; R562-T566 PolarHBondContact O-N 2.96Å; R562-T566 PolarHBondContact O-OG1 3.47Å
563	V	84.1	Confident	82.1	Confident	7 Å²	7	71.3 Å²	71.3	4%	0.042	33%	0.329	C	S	.	.	H	α-helix	trans	-58	-48.7	175.1	167.4	0	0	0	0	109.4	I539 L540 R543 D559 R560 I565 T566 L567	I539-V563 HydrophobicContact CG2-CG1 4.34Å; L540-V563 HydrophobicContact CB-CG1 4.48Å; L540-V563 HydrophobicContact CD1-CG1 4.08Å; R543-V563 HydrophobicContact CB-CG2 4.01Å; R543-V563 HydrophobicContact CG-CG2 3.63Å; D559-V563 WeakPolarHBondContact O-CB 3.46Å; D559-V563 VanDerWaalsContact O-CG2 3.29Å; D559-V563 WeakPolarHBondContact O-CG2 3.29Å; D559-V563 PolarHBondContact O-N 3.41Å; R560-V563 PolarHBondContact O-N 3.19Å; V563-I565 PolarHBondContact O-N 3.45Å; V563-T566 PolarHBondContact O-N 2.85Å; V563-L567 HydrophobicContact CG1-CD1 3.71Å; V563-L567 HydrophobicContact CG1-CG 4.23Å; V563-L567 WeakPolarHBondContact O-CB 3.32Å; V563-L567 VanDerWaalsContact O-CG 3.3Å; V563-L567 WeakPolarHBondContact O-CG 3.22Å; V563-L567 PolarHBondContact O-N 3.21Å
564	N	79.1	Confident	82.1	Confident	17 Å²	17	68.2 Å²	68.2	9%	0.091	31%	0.313	C	S	.	.	H	α-helix	trans	-60.5	-47.4	179.7	-166.5	-80.8	0	0	0	112	R560 L561 R562 T566 L567 Q568	R560-N564 WeakPolarHBondContact O-CB 3.4Å; R560-N564 PolarHBondContact O-N 3.4Å; L561-N564 PolarHBondContact O-N 3.34Å; R562-N564 VanDerWaalsContact C-N 3.32Å; N564-T566 VanDerWaalsContact C-N 3.3Å; N564-T566 PolarHBondContact O-N 2.87Å; N564-L567 PolarHBondContact O-N 2.99Å; N564-Q568 WeakPolarHBondContact O-CB 3.38Å; N564-Q568 VanDerWaalsContact O-CG 3.27Å; N564-Q568 WeakPolarHBondContact O-CG 3.27Å; N564-Q568 PolarHBondContact O-N 2.74Å
565	I	84.5	Confident	82.1	Confident	100 Å²	100	66.7 Å²	66.7	51%	0.513	30%	0.296	S	S	.	.	H	α-helix	trans	-58.4	-43.9	176.3	-68.9	167	0	0	0	111	L561 R562 V563 Q568 R569	L561-I565 HydrophobicContact CD1-CD1 4.14Å; L561-I565 HydrophobicContact CD1-CG1 4.39Å; L561-I565 HydrophobicContact CG-CD1 3.9Å; L561-I565 VanDerWaalsContact O-CG1 3.3Å; L561-I565 WeakPolarHBondContact O-CG1 3.31Å; L561-I565 PolarHBondContact O-N 3.38Å; R562-I565 PolarHBondContact O-N 3.25Å; V563-I565 PolarHBondContact O-N 3.45Å; I565-Q568 PolarHBondContact O-N 3.29Å; I565-R569 WeakPolarHBondContact O-CB 3.44Å; I565-R569 PolarHBondContact O-N 3.07Å
566	T	86.2	Confident	82.2	Confident	54 Å²	54	72.3 Å²	72.3	33%	0.331	32%	0.317	S	S	.	.	H	α-helix	trans	-65.2	-45.9	-179.5	-52.9	0	0	0	0	111.2	I539 R562 V563 N564 R569 Y570	I539-T566 HydrophobicContact CD1-CG2 4.25Å; I539-T566 HydrophobicContact CG1-CG2 4.49Å; I539-T566 HydrophobicContact CG2-CG2 3.87Å; R562-T566 WeakPolarHBondContact O-CB 3.47Å; R562-T566 PolarHBondContact O-N 2.96Å; R562-T566 PolarHBondContact O-OG1 3.47Å; V563-T566 PolarHBondContact O-N 2.85Å; N564-T566 VanDerWaalsContact C-N 3.3Å; N564-T566 PolarHBondContact O-N 2.87Å; T566-R569 PolarHBondContact O-N 2.9Å; T566-Y570 PolarHBondContact O-N 2.84Å
567	L	84.9	Confident	81.9	Confident	2 Å²	2	71.1 Å²	71.1	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-61.2	-45.1	174.9	-71	172.5	0	0	0	111.6	Y396 D536 I539 V563 N564 R569 Y570 H571	Y396-L567 HydrophobicContact CE2-CD1 4.19Å; D536-L567 HydrophobicContact CB-CD2 4.19Å; D536-L567 WeakPolarHBondContact OD1-CD2 3.49Å; I539-L567 HydrophobicContact CB-CD2 3.94Å; I539-L567 HydrophobicContact CD1-CD2 3.76Å; I539-L567 HydrophobicContact CG1-CD2 4.44Å; I539-L567 HydrophobicContact CG2-CD2 4Å; I539-L567 HydrophobicContact CG2-CG 4.04Å; V563-L567 HydrophobicContact CG1-CD1 3.71Å; V563-L567 HydrophobicContact CG1-CG 4.23Å; V563-L567 WeakPolarHBondContact O-CB 3.32Å; V563-L567 VanDerWaalsContact O-CG 3.3Å; V563-L567 WeakPolarHBondContact O-CG 3.22Å; V563-L567 PolarHBondContact O-N 3.21Å; N564-L567 PolarHBondContact O-N 2.99Å; L567-R569 VanDerWaalsContact C-N 3.34Å; L567-R569 PolarHBondContact O-N 3.33Å; L567-Y570 PolarHBondContact O-N 3.22Å; L567-H571 PolarHBondContact O-CD2 3.2Å; L567-H571 PolarHBondContact O-N 2.85Å
568	Q	80.6	Confident	81.7	Confident	55 Å²	55	65.3 Å²	65.3	26%	0.257	29%	0.29	S	S	.	.	H	α-helix	trans	-60.4	-45.6	177.2	-72.2	-55.8	-36.7	0	0	111	N564 I565 Y570 H571 W572	N564-Q568 WeakPolarHBondContact O-CB 3.38Å; N564-Q568 VanDerWaalsContact O-CG 3.27Å; N564-Q568 WeakPolarHBondContact O-CG 3.27Å; N564-Q568 PolarHBondContact O-N 2.74Å; I565-Q568 PolarHBondContact O-N 3.29Å; Q568-Y570 VanDerWaalsContact C-N 3.31Å; Q568-Y570 PolarHBondContact O-N 2.67Å; Q568-H571 PolarHBondContact O-N 3.41Å; Q568-W572 VanDerWaalsContact O-CB 3.28Å; Q568-W572 WeakPolarHBondContact O-CB 3.45Å; Q568-W572 VanDerWaalsContact O-CD1 3.23Å; Q568-W572 PolarHBondContact O-N 3.49Å
569	R	85.3	Confident	81.3	Confident	175 Å²	175	67.2 Å²	67.2	66%	0.66	30%	0.297	S	S	*	.	H	α-helix	trans	-58.4	-43.9	175.2	-174.5	-179.2	-178.5	-172	0	111.6	I565 T566 L567 W572 K573	I565-R569 WeakPolarHBondContact O-CB 3.44Å; I565-R569 PolarHBondContact O-N 3.07Å; T566-R569 PolarHBondContact O-N 2.9Å; L567-R569 VanDerWaalsContact C-N 3.34Å; L567-R569 PolarHBondContact O-N 3.33Å; R569-W572 PolarHBondContact O-N 3.19Å; R569-K573 PolarHBondContact O-N 2.81Å
570	Y	83.7	Confident	81.1	Confident	20 Å²	20	67.9 Å²	67.9	8%	0.078	30%	0.3	C	S	.	.	H	α-helix	trans	-62.9	-53.1	178.3	175.8	-106.3	0	0	0	112.2	L435 I535 T566 L567 Q568 W572 K573 L574	L435-Y570 HydrophobicContact CB-CE2 4.48Å; L435-Y570 HydrophobicContact CD1-CD2 4.39Å; L435-Y570 HydrophobicContact CD1-CE2 3.76Å; I535-Y570 HydrophobicContact CB-CE1 4.29Å; I535-Y570 HydrophobicContact CD1-CE1 4.25Å; I535-Y570 HydrophobicContact CD1-CE2 4.37Å; I535-Y570 WeakPolarHBondContact CD1-OH 3.4Å; I535-Y570 HydrophobicContact CG2-CD1 4.09Å; I535-Y570 HydrophobicContact CG2-CD2 4.42Å; I535-Y570 HydrophobicContact CG2-CE1 3.83Å; I535-Y570 HydrophobicContact CG2-CE2 4.2Å; I535-Y570 HydrophobicContact CG2-CG 4.38Å; T566-Y570 PolarHBondContact O-N 2.84Å; L567-Y570 PolarHBondContact O-N 3.22Å; Q568-Y570 VanDerWaalsContact C-N 3.31Å; Q568-Y570 PolarHBondContact O-N 2.67Å; Y570-W572 PolarHBondContact O-N 3.39Å; Y570-K573 WeakPolarHBondContact O-CB 2.84Å; Y570-K573 PolarHBondContact O-N 3.4Å; Y570-K573 VanDerWaalsContact O-N 3.11Å; Y570-L574 HydrophobicContact CD1-CD1 4.12Å; Y570-L574 HydrophobicContact CE1-CD1 3.38Å; Y570-L574 HydrophobicContact CE1-CG 4.16Å; Y570-L574 HydrophobicContact CE2-CD1 4.34Å; Y570-L574 HydrophobicContact CE2-CG 4.28Å; Y570-L574 VanDerWaalsContact CZ-CD1 3.49Å; Y570-L574 PolarHBondContact O-N 2.73Å; Y570-L574 VanDerWaalsContact O-N 3.1Å; Y570-L574 WeakPolarHBondContact OH-CD1 3.27Å
571	H	81.6	Confident	80.8	Confident	51 Å²	51	66.2 Å²	66.2	24%	0.236	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-34.1	177.4	-66.8	-54.3	0	0	0	112.3	D536 L567 Q568 L574 K575	D536-H571 IonicContact OD1-CE1 3.63Å; D536-H571 PolarHBondContact OD1-CE1 3.14Å; D536-H571 IonicContact OD1-NE2 3.82Å; D536-H571 PolarHBondContact OD1-NE2 3.1Å; D536-H571 IonicContact OD2-CE1 2.85Å; D536-H571 PolarHBondContact OD2-CE1 2.82Å; D536-H571 IonicContact OD2-NE2 3.07Å; L567-H571 PolarHBondContact O-CD2 3.2Å; L567-H571 PolarHBondContact O-N 2.85Å; Q568-H571 PolarHBondContact O-N 3.41Å; H571-L574 PolarHBondContact O-N 2.99Å; H571-K575 WeakPolarHBondContact O-CB 3.35Å; H571-K575 VanDerWaalsContact O-CG 3.28Å; H571-K575 WeakPolarHBondContact O-CG 2.88Å; H571-K575 PolarHBondContact O-N 3.3Å
572	W	82.3	Confident	80.7	Confident	123 Å²	123	70.3 Å²	70.3	47%	0.466	31%	0.31	S	S	.	.	H	α-helix	trans	-63.6	-44.5	173.5	-96.4	104.7	0	0	0	112.7	W371 Q568 R569 Y570 L574 K575 Y576	W371-W572 HydrophobicContact CD2-CZ2 4.37Å; W371-W572 AromaticContact CE2-CE2 3.86Å; W371-W572 AromaticContact CE2-CZ2 3.34Å; W371-W572 AromaticContact CE2-NE1 3.79Å; W371-W572 HydrophobicContact CH2-CZ2 4.36Å; W371-W572 AromaticContact CZ2-CE2 3.63Å; W371-W572 AromaticContact CZ2-CZ2 3.35Å; W371-W572 HydrophobicContact CZ2-CZ2 3.35Å; W371-W572 AromaticContact CZ2-NE1 3.39Å; W371-W572 AromaticContact NE1-CE2 3.59Å; W371-W572 AromaticContact NE1-CZ2 3.16Å; W371-W572 AromaticContact NE1-NE1 3.59Å; Q568-W572 VanDerWaalsContact O-CB 3.28Å; Q568-W572 WeakPolarHBondContact O-CB 3.45Å; Q568-W572 VanDerWaalsContact O-CD1 3.23Å; Q568-W572 PolarHBondContact O-N 3.49Å; R569-W572 PolarHBondContact O-N 3.19Å; Y570-W572 PolarHBondContact O-N 3.39Å; W572-L574 PolarHBondContact O-N 2.77Å; W572-K575 PolarHBondContact O-N 2.93Å; W572-Y576 VanDerWaalsContact O-CB 3.26Å; W572-Y576 WeakPolarHBondContact O-CB 3.34Å; W572-Y576 PolarHBondContact O-N 3.11Å
573	K	83.5	Confident	80.4	Confident	66 Å²	66	68.5 Å²	68.5	29%	0.287	31%	0.308	S	S	.	.	H	α-helix	trans	-57	-48.2	174.1	-73.6	-177.7	179.3	-175.5	0	111.2	D436 R569 Y570 K575 Y576 E577	D436-K573 IonicContact OD1-NZ 2.93Å; D436-K573 PolarHBondContact OD1-NZ 2.87Å; R569-K573 PolarHBondContact O-N 2.81Å; Y570-K573 WeakPolarHBondContact O-CB 2.84Å; Y570-K573 PolarHBondContact O-N 3.4Å; Y570-K573 VanDerWaalsContact O-N 3.11Å; K573-K575 PolarHBondContact O-N 3.32Å; K573-Y576 PolarHBondContact O-N 2.71Å; K573-E577 WeakPolarHBondContact O-CB 3.18Å; K573-E577 PolarHBondContact O-N 3.29Å
574	L	77.7	Confident	80.2	Confident	19 Å²	19	74.5 Å²	74.5	10%	0.099	34%	0.336	C	S	.	.	H	α-helix	trans	-60.9	-44.1	177.9	-73	176.5	0	0	0	112.7	F471 S532 Y570 H571 W572 T578	F471-L574 HydrophobicContact CB-CD2 4.37Å; S532-L574 WeakPolarHBondContact OG-CD1 3.28Å; Y570-L574 HydrophobicContact CD1-CD1 4.12Å; Y570-L574 HydrophobicContact CE1-CD1 3.38Å; Y570-L574 HydrophobicContact CE1-CG 4.16Å; Y570-L574 HydrophobicContact CE2-CD1 4.34Å; Y570-L574 HydrophobicContact CE2-CG 4.28Å; Y570-L574 VanDerWaalsContact CZ-CD1 3.49Å; Y570-L574 PolarHBondContact O-N 2.73Å; Y570-L574 VanDerWaalsContact O-N 3.1Å; Y570-L574 WeakPolarHBondContact OH-CD1 3.27Å; H571-L574 PolarHBondContact O-N 2.99Å; W572-L574 PolarHBondContact O-N 2.77Å; L574-T578 WeakPolarHBondContact O-CB 3.1Å; L574-T578 PolarHBondContact O-N 2.9Å; L574-T578 PolarHBondContact O-OG1 2.97Å
575	K	75	Confident	80.1	Confident	72 Å²	72	75.2 Å²	75.2	31%	0.313	35%	0.348	S	S	.	.	H	α-helix	trans	-65.3	-44.8	178.4	-76.5	179.9	-178.8	-173.6	0	111.4	N367 H571 W572 K573 T578 F579	N367-K575 PolarHBondContact OD1-NZ 3.42Å; H571-K575 WeakPolarHBondContact O-CB 3.35Å; H571-K575 VanDerWaalsContact O-CG 3.28Å; H571-K575 WeakPolarHBondContact O-CG 2.88Å; H571-K575 PolarHBondContact O-N 3.3Å; W572-K575 PolarHBondContact O-N 2.93Å; K573-K575 PolarHBondContact O-N 3.32Å; K575-T578 PolarHBondContact O-N 2.71Å; K575-F579 VanDerWaalsContact O-CB 3.32Å; K575-F579 WeakPolarHBondContact O-CB 3.23Å; K575-F579 PolarHBondContact O-N 3.44Å
576	Y	81.3	Confident	79.8	Confident	144 Å²	144	74 Å²	74	57%	0.565	34%	0.342	S	S	*	.	H	α-helix	trans	-61.2	-43.8	177.3	177.1	-103.9	0	0	0	111.6	W572 K573 F579 N580	W572-Y576 VanDerWaalsContact O-CB 3.26Å; W572-Y576 WeakPolarHBondContact O-CB 3.34Å; W572-Y576 PolarHBondContact O-N 3.11Å; K573-Y576 PolarHBondContact O-N 2.71Å; Y576-F579 WeakPolarHBondContact O-CB 3.44Å; Y576-F579 PolarHBondContact O-N 3.1Å; Y576-N580 WeakPolarHBondContact CE1-ND2 3.28Å; Y576-N580 PolarHBondContact O-N 2.99Å; Y576-N580 PolarHBondContact OH-ND2 2.95Å
577	E	76.3	Confident	79.8	Confident	24 Å²	24	77.5 Å²	77.5	11%	0.112	35%	0.353	C	S	.	.	H	α-helix	trans	-64.7	-45.3	175.2	-178.5	177.4	-129	0	0	112.2	T470 F471 R472 K573 F579 N580 I581	T470-E577 VanDerWaalsContact C-OE1 3.31Å; T470-E577 WeakPolarHBondContact CA-OE1 3.2Å; T470-E577 VanDerWaalsContact CB-OE1 3.3Å; T470-E577 WeakPolarHBondContact CB-OE1 3.15Å; F471-E577 WeakPolarHBondContact CA-OE2 3.39Å; F471-E577 VanDerWaalsContact CB-OE2 3.22Å; F471-E577 WeakPolarHBondContact CB-OE2 3.01Å; F471-E577 PolarHBondContact N-OE1 2.95Å; F471-E577 PolarHBondContact N-OE2 3.08Å; R472-E577 PolarHBondContact N-OE2 3.45Å; K573-E577 WeakPolarHBondContact O-CB 3.18Å; K573-E577 PolarHBondContact O-N 3.29Å; E577-F579 PolarHBondContact O-N 3.33Å; E577-N580 PolarHBondContact O-N 2.81Å; E577-N580 VanDerWaalsContact O-N 3.12Å; E577-I581 HydrophobicContact CG-CD1 3.93Å; E577-I581 HydrophobicContact CG-CG1 4.4Å; E577-I581 WeakPolarHBondContact O-CG1 3.19Å; E577-I581 PolarHBondContact O-N 3.28Å
578	T	74.2	Confident	79.6	Confident	59 Å²	59	79.9 Å²	79.9	36%	0.362	36%	0.362	S	S	.	.	H	α-helix	trans	-58.6	-39.7	176.4	-57.8	0	0	0	0	110.9	L574 K575 W582	L574-T578 WeakPolarHBondContact O-CB 3.1Å; L574-T578 PolarHBondContact O-N 2.9Å; L574-T578 PolarHBondContact O-OG1 2.97Å; K575-T578 PolarHBondContact O-N 2.71Å; T578-W582 VanDerWaalsContact O-CB 3.32Å; T578-W582 WeakPolarHBondContact O-CB 3.35Å; T578-W582 PolarHBondContact O-N 3.01Å
579	F	77.5	Confident	79.4	Confident	109 Å²	109	83.2 Å²	83.2	48%	0.478	38%	0.377	S	S	.	.	H	α-helix	trans	-64.8	-44.3	174.6	177.9	-104.5	0	0	0	112.2	K575 Y576 E577 W582 I583	K575-F579 VanDerWaalsContact O-CB 3.32Å; K575-F579 WeakPolarHBondContact O-CB 3.23Å; K575-F579 PolarHBondContact O-N 3.44Å; Y576-F579 WeakPolarHBondContact O-CB 3.44Å; Y576-F579 PolarHBondContact O-N 3.1Å; E577-F579 PolarHBondContact O-N 3.33Å; F579-W582 HydrophobicContact CD2-CE3 4.28Å; F579-W582 HydrophobicContact CE2-CE3 4.31Å; F579-W582 HydrophobicContact CE2-CZ3 4.25Å; F579-W582 WeakPolarHBondContact O-CB 3.36Å; F579-W582 PolarHBondContact O-N 3.41Å; F579-I583 HydrophobicContact CD1-CD1 3.89Å; F579-I583 HydrophobicContact CE1-CD1 3.29Å; F579-I583 HydrophobicContact CE1-CG1 4.3Å; F579-I583 HydrophobicContact CE2-CD1 4.15Å; F579-I583 HydrophobicContact CE2-CG1 4.46Å; F579-I583 HydrophobicContact CZ-CD1 3.46Å; F579-I583 VanDerWaalsContact CZ-CD1 3.46Å; F579-I583 HydrophobicContact CZ-CG1 4.23Å; F579-I583 WeakPolarHBondContact O-CG1 3.26Å; F579-I583 PolarHBondContact O-N 2.92Å
580	N	78.2	Confident	79.4	Confident	50 Å²	50	79.5 Å²	79.5	27%	0.267	37%	0.37	S	S	.	.	H	α-helix	trans	-62.6	-44.3	175.9	-76.2	-12.7	0	0	0	112.3	Y576 E577 W582 I583 Q584	Y576-N580 WeakPolarHBondContact CE1-ND2 3.28Å; Y576-N580 PolarHBondContact O-N 2.99Å; Y576-N580 PolarHBondContact OH-ND2 2.95Å; E577-N580 PolarHBondContact O-N 2.81Å; E577-N580 VanDerWaalsContact O-N 3.12Å; N580-W582 VanDerWaalsContact C-N 3.29Å; N580-W582 PolarHBondContact O-N 3.4Å; N580-I583 PolarHBondContact O-N 3.4Å; N580-Q584 VanDerWaalsContact O-CG 3.31Å; N580-Q584 WeakPolarHBondContact O-CG 3.28Å; N580-Q584 PolarHBondContact O-N 3.5Å
581	I	75.8	Confident	79.5	Confident	74 Å²	74	80.7 Å²	80.7	38%	0.379	38%	0.377	S	S	.	.	H	α-helix	trans	-61.7	-40.9	175.5	-67.9	169.1	0	0	0	110.3	T470 E577 Q584 G585	T470-I581 HydrophobicContact CG2-CD1 4.12Å; E577-I581 HydrophobicContact CG-CD1 3.93Å; E577-I581 HydrophobicContact CG-CG1 4.4Å; E577-I581 WeakPolarHBondContact O-CG1 3.19Å; E577-I581 PolarHBondContact O-N 3.28Å; I581-Q584 PolarHBondContact O-N 3.11Å; I581-G585 PolarHBondContact O-N 3.4Å
582	W	77	Confident	79.5	Confident	141 Å²	141	83.8 Å²	83.8	53%	0.534	39%	0.388	S	S	.	.	H	α-helix	trans	-64.2	-43.6	176.8	178.9	76.7	0	0	0	112.2	T578 F579 N580 G585 L586	T578-W582 VanDerWaalsContact O-CB 3.32Å; T578-W582 WeakPolarHBondContact O-CB 3.35Å; T578-W582 PolarHBondContact O-N 3.01Å; F579-W582 HydrophobicContact CD2-CE3 4.28Å; F579-W582 HydrophobicContact CE2-CE3 4.31Å; F579-W582 HydrophobicContact CE2-CZ3 4.25Å; F579-W582 WeakPolarHBondContact O-CB 3.36Å; F579-W582 PolarHBondContact O-N 3.41Å; N580-W582 VanDerWaalsContact C-N 3.29Å; N580-W582 PolarHBondContact O-N 3.4Å; W582-G585 PolarHBondContact O-N 3.34Å; W582-L586 HydrophobicContact CD2-CD1 4.01Å; W582-L586 HydrophobicContact CD2-CG 4.45Å; W582-L586 HydrophobicContact CE3-CD1 3.94Å; W582-L586 HydrophobicContact CH2-CD1 3.45Å; W582-L586 VanDerWaalsContact CH2-CD1 3.45Å; W582-L586 HydrophobicContact CZ2-CD1 3.51Å; W582-L586 HydrophobicContact CZ2-CG 4.28Å; W582-L586 HydrophobicContact CZ3-CD1 3.66Å; W582-L586 PolarHBondContact O-N 2.94Å
583	I	79.7	Confident	79.5	Confident	76 Å²	76	81.9 Å²	81.9	39%	0.39	40%	0.398	S	S	.	.	H	α-helix	trans	-59.9	-45.8	172.8	-72.9	179.1	0	0	0	111	F579 N580 G585 L586 F587	F579-I583 HydrophobicContact CD1-CD1 3.89Å; F579-I583 HydrophobicContact CE1-CD1 3.29Å; F579-I583 HydrophobicContact CE1-CG1 4.3Å; F579-I583 HydrophobicContact CE2-CD1 4.15Å; F579-I583 HydrophobicContact CE2-CG1 4.46Å; F579-I583 HydrophobicContact CZ-CD1 3.46Å; F579-I583 VanDerWaalsContact CZ-CD1 3.46Å; F579-I583 HydrophobicContact CZ-CG1 4.23Å; F579-I583 WeakPolarHBondContact O-CG1 3.26Å; F579-I583 PolarHBondContact O-N 2.92Å; N580-I583 PolarHBondContact O-N 3.4Å; I583-G585 VanDerWaalsContact C-N 3.28Å; I583-G585 PolarHBondContact O-N 2.98Å; I583-L586 PolarHBondContact O-N 3.25Å; I583-F587 WeakPolarHBondContact O-CB 3.47Å; I583-F587 PolarHBondContact O-N 2.93Å
584	Q	79.8	Confident	79.8	Confident	133 Å²	133	84 Å²	84	62%	0.621	41%	0.412	S	S	*	.	H	α-helix	trans	-60.5	-39.9	176.8	-73.2	173.2	-2.9	0	0	111.5	N580 I581 F587 Y588	N580-Q584 VanDerWaalsContact O-CG 3.31Å; N580-Q584 WeakPolarHBondContact O-CG 3.28Å; N580-Q584 PolarHBondContact O-N 3.5Å; I581-Q584 PolarHBondContact O-N 3.11Å; Q584-F587 PolarHBondContact O-N 2.87Å; Q584-Y588 WeakPolarHBondContact O-CB 3.38Å; Q584-Y588 PolarHBondContact O-N 3.15Å
585	G	77.6	Confident	80	Confident	33 Å²	33	86.1 Å²	86.1	34%	0.34	44%	0.438	S	S	.	.	H	α-helix	trans	-62.8	-43.4	174.6	0	0	0	0	0	112.9	I581 W582 I583 Y588 Q589	I581-G585 PolarHBondContact O-N 3.4Å; W582-G585 PolarHBondContact O-N 3.34Å; I583-G585 VanDerWaalsContact C-N 3.28Å; I583-G585 PolarHBondContact O-N 2.98Å; G585-Y588 PolarHBondContact O-N 3.5Å; G585-Q589 WeakPolarHBondContact O-CG 3.44Å; G585-Q589 PolarHBondContact O-N 2.93Å
586	L	78.6	Confident	80.4	Confident	75 Å²	75	89.6 Å²	89.6	39%	0.393	46%	0.456	S	S	.	.	H	α-helix	trans	-63.1	-44.5	174	-74.3	177.1	0	0	0	112	W582 I583 Y588 Q589 L590	W582-L586 HydrophobicContact CD2-CD1 4.01Å; W582-L586 HydrophobicContact CD2-CG 4.45Å; W582-L586 HydrophobicContact CE3-CD1 3.94Å; W582-L586 HydrophobicContact CH2-CD1 3.45Å; W582-L586 VanDerWaalsContact CH2-CD1 3.45Å; W582-L586 HydrophobicContact CZ2-CD1 3.51Å; W582-L586 HydrophobicContact CZ2-CG 4.28Å; W582-L586 HydrophobicContact CZ3-CD1 3.66Å; W582-L586 PolarHBondContact O-N 2.94Å; I583-L586 PolarHBondContact O-N 3.25Å; L586-Y588 VanDerWaalsContact C-N 3.32Å; L586-Y588 PolarHBondContact O-N 3.35Å; L586-Q589 PolarHBondContact O-N 2.93Å; L586-L590 WeakPolarHBondContact O-CB 3.4Å; L586-L590 PolarHBondContact O-N 3.14Å
587	F	85.7	Confident	80.3	Confident	127 Å²	127	84.4 Å²	84.4	56%	0.557	44%	0.439	S	S	*	.	H	α-helix	trans	-62.1	-41.7	177.1	-176	-107.1	0	0	0	111.4	I583 Q584 L590 L591	I583-F587 WeakPolarHBondContact O-CB 3.47Å; I583-F587 PolarHBondContact O-N 2.93Å; Q584-F587 PolarHBondContact O-N 2.87Å; F587-L590 PolarHBondContact O-N 3Å; F587-L591 HydrophobicContact CD1-CD1 3.88Å; F587-L591 HydrophobicContact CD1-CG 4.37Å; F587-L591 HydrophobicContact CE1-CD1 3.42Å; F587-L591 VanDerWaalsContact CE1-CD1 3.42Å; F587-L591 HydrophobicContact CE1-CG 4.04Å; F587-L591 HydrophobicContact CZ-CD1 3.92Å; F587-L591 HydrophobicContact CZ-CD2 4.25Å; F587-L591 HydrophobicContact CZ-CG 4.15Å; F587-L591 WeakPolarHBondContact O-CG 3.39Å; F587-L591 PolarHBondContact O-N 2.96Å
588	Y	80.4	Confident	80.2	Confident	52 Å²	52	86 Å²	86	20%	0.204	45%	0.452	C	S	.	.	H	α-helix	trans	-61.3	-47.2	173.8	-172.3	-72.8	0	0	0	111.7	Q584 G585 L586 L590 L591 Y592 V597 P598 I600 L603	Q584-Y588 WeakPolarHBondContact O-CB 3.38Å; Q584-Y588 PolarHBondContact O-N 3.15Å; G585-Y588 PolarHBondContact O-N 3.5Å; L586-Y588 VanDerWaalsContact C-N 3.32Å; L586-Y588 PolarHBondContact O-N 3.35Å; Y588-L590 PolarHBondContact O-N 2.83Å; Y588-L591 PolarHBondContact O-N 2.98Å; Y588-Y592 WeakPolarHBondContact O-CB 3.4Å; Y588-Y592 PolarHBondContact O-N 3.03Å; Y588-V597 HydrophobicContact CD2-CG1 4.24Å; Y588-V597 HydrophobicContact CE1-CG1 4.15Å; Y588-V597 HydrophobicContact CE2-CG1 3.46Å; Y588-V597 VanDerWaalsContact CE2-CG1 3.46Å; Y588-V597 WeakPolarHBondContact OH-CG1 3.3Å; Y588-P598 PolarHBondContact OH-O 2.84Å; Y588-I600 HydrophobicContact CD1-CD1 3.78Å; Y588-I600 HydrophobicContact CD1-CG1 3.77Å; Y588-I600 HydrophobicContact CE1-CB 4.48Å; Y588-I600 HydrophobicContact CE1-CD1 3.72Å; Y588-I600 HydrophobicContact CE1-CG1 3.15Å; Y588-I600 HydrophobicContact CE2-CG1 4.33Å; Y588-I600 VanDerWaalsContact CZ-CG1 3.45Å; Y588-L603 HydrophobicContact CE2-CD1 3.98Å; Y588-L603 WeakPolarHBondContact OH-CD1 3.48Å
589	Q	77.2	Confident	80.2	Confident	125 Å²	125	86 Å²	86	58%	0.584	45%	0.449	S	S	*	.	H	α-helix	trans	-59.4	-37.6	177.4	-76.2	177.1	-16.3	0	0	111.9	G585 L586 A593	G585-Q589 WeakPolarHBondContact O-CG 3.44Å; G585-Q589 PolarHBondContact O-N 2.93Å; L586-Q589 PolarHBondContact O-N 2.93Å; Q589-A593 WeakPolarHBondContact O-CB 3.02Å; Q589-A593 PolarHBondContact O-N 2.94Å
590	L	84.7	Confident	79.8	Confident	96 Å²	96	85.5 Å²	85.5	50%	0.503	45%	0.45	S	S	.	.	H	α-helix	trans	-67.1	-44.1	175.2	-175.5	135.7	0	0	0	111.9	L586 F587 Y588 A593 I594	L586-L590 WeakPolarHBondContact O-CB 3.4Å; L586-L590 PolarHBondContact O-N 3.14Å; F587-L590 PolarHBondContact O-N 3Å; Y588-L590 PolarHBondContact O-N 2.83Å; L590-A593 PolarHBondContact O-N 3.33Å; L590-I594 HydrophobicContact CD2-CD1 3.7Å; L590-I594 HydrophobicContact CG-CD1 4.16Å; L590-I594 WeakPolarHBondContact O-CG1 3.44Å; L590-I594 PolarHBondContact O-N 2.93Å
591	L	85.5	Confident	79.1	Confident	45 Å²	45	90.7 Å²	90.7	24%	0.236	47%	0.471	C	S	.	.	H	α-helix	trans	-64.4	-39.2	175.5	-71.8	179.4	0	0	0	112.7	F587 Y588 I594 G595 Q596 V597	F587-L591 HydrophobicContact CD1-CD1 3.88Å; F587-L591 HydrophobicContact CD1-CG 4.37Å; F587-L591 HydrophobicContact CE1-CD1 3.42Å; F587-L591 VanDerWaalsContact CE1-CD1 3.42Å; F587-L591 HydrophobicContact CE1-CG 4.04Å; F587-L591 HydrophobicContact CZ-CD1 3.92Å; F587-L591 HydrophobicContact CZ-CD2 4.25Å; F587-L591 HydrophobicContact CZ-CG 4.15Å; F587-L591 WeakPolarHBondContact O-CG 3.39Å; F587-L591 PolarHBondContact O-N 2.96Å; Y588-L591 PolarHBondContact O-N 2.98Å; L591-I594 PolarHBondContact O-N 2.92Å; L591-G595 PolarHBondContact O-N 2.89Å; L591-Q596 HydrophobicContact CB-CB 4.45Å; L591-Q596 HydrophobicContact CD2-CB 4.23Å; L591-Q596 PolarHBondContact O-N 3.41Å; L591-V597 HydrophobicContact CB-CB 4.25Å; L591-V597 HydrophobicContact CB-CG2 3.62Å; L591-V597 HydrophobicContact CD1-CG2 3.83Å; L591-V597 HydrophobicContact CG-CG2 4.34Å
592	Y	80.5	Confident	78.6	Confident	116 Å²	116	92.7 Å²	92.7	46%	0.455	48%	0.479	S	S	.	.	H	α-helix	trans	-61.5	-44.3	173.3	175.2	-102.3	0	0	0	111.3	Y588 I594 G595 V597 D599	Y588-Y592 WeakPolarHBondContact O-CB 3.4Å; Y588-Y592 PolarHBondContact O-N 3.03Å; Y592-I594 PolarHBondContact O-N 2.72Å; Y592-G595 PolarHBondContact O-N 3.49Å; Y592-V597 WeakPolarHBondContact CD2-O 3.49Å; Y592-D599 HydrophobicContact CE2-CB 3.79Å
593	A	82.8	Confident	77.9	Confident	83 Å²	83	89.4 Å²	89.4	69%	0.686	47%	0.471	S	S	*	.	H	α-helix	trans	-63.3	-28.1	178.2	0	0	0	0	0	113.6	Q589 L590 G595	Q589-A593 WeakPolarHBondContact O-CB 3.02Å; Q589-A593 PolarHBondContact O-N 2.94Å; L590-A593 PolarHBondContact O-N 3.33Å; A593-G595 VanDerWaalsContact C-N 3.3Å
594	I	90	Very high	76.9	Confident	111 Å²	111	88.5 Å²	88.5	57%	0.569	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	0.6	175.9	-56	163.1	0	0	0	111.3	L590 L591 Y592 Q596	L590-I594 HydrophobicContact CD2-CD1 3.7Å; L590-I594 HydrophobicContact CG-CD1 4.16Å; L590-I594 WeakPolarHBondContact O-CG1 3.44Å; L590-I594 PolarHBondContact O-N 2.93Å; L591-I594 PolarHBondContact O-N 2.92Å; Y592-I594 PolarHBondContact O-N 2.72Å; I594-Q596 VanDerWaalsContact C-N 3.28Å; I594-Q596 HydrophobicContact CB-CG 4.4Å; I594-Q596 HydrophobicContact CG2-CG 4.1Å; I594-Q596 PolarHBondContact O-N 3.41Å
595	G	82.3	Confident	75.9	Confident	64 Å²	64	85.4 Å²	85.4	66%	0.66	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	17.6	179.9	0	0	0	0	0	114.3	L591 Y592 A593	L591-G595 PolarHBondContact O-N 2.89Å; Y592-G595 PolarHBondContact O-N 3.49Å; A593-G595 VanDerWaalsContact C-N 3.3Å
596	Q	82.7	Confident	75	Confident	144 Å²	144	89.3 Å²	89.3	67%	0.673	48%	0.477	S	S	*	.	S	Bend	trans	-87.3	-15.2	-178	-71	-69.4	-35.4	0	0	113.2	L591 I594	L591-Q596 HydrophobicContact CB-CB 4.45Å; L591-Q596 HydrophobicContact CD2-CB 4.23Å; L591-Q596 PolarHBondContact O-N 3.41Å; I594-Q596 VanDerWaalsContact C-N 3.28Å; I594-Q596 HydrophobicContact CB-CG 4.4Å; I594-Q596 HydrophobicContact CG2-CG 4.1Å; I594-Q596 PolarHBondContact O-N 3.41Å
597	V	79.4	Confident	74	Confident	35 Å²	35	92.1 Å²	92.1	21%	0.212	48%	0.483	C	S	.	.	S	Bend	trans	-139.1	139.4	-178	-177.5	0	0	0	0	109.3	Y588 L591 Y592 L603	Y588-V597 HydrophobicContact CD2-CG1 4.24Å; Y588-V597 HydrophobicContact CE1-CG1 4.15Å; Y588-V597 HydrophobicContact CE2-CG1 3.46Å; Y588-V597 VanDerWaalsContact CE2-CG1 3.46Å; Y588-V597 WeakPolarHBondContact OH-CG1 3.3Å; L591-V597 HydrophobicContact CB-CB 4.25Å; L591-V597 HydrophobicContact CB-CG2 3.62Å; L591-V597 HydrophobicContact CD1-CG2 3.83Å; L591-V597 HydrophobicContact CG-CG2 4.34Å; Y592-V597 WeakPolarHBondContact CD2-O 3.49Å; V597-L603 HydrophobicContact CG1-CD1 4.48Å
598	P	75.2	Confident	72.3	Confident	59 Å²	59	90 Å²	90	38%	0.383	48%	0.477	S	S	.	.			trans	-64.5	167.1	176.9	24.2	-34	0	0	0	113.2	Y588 I600 L603	Y588-P598 PolarHBondContact OH-O 2.84Å; P598-I600 PolarHBondContact O-N 2.89Å; P598-L603 HydrophobicContact CG-CD1 4.34Å; P598-L603 HydrophobicContact CG-CD2 3.8Å; P598-L603 HydrophobicContact CG-CG 3.87Å
599	D	73.6	Confident	71.1	Confident	58 Å²	58	91.4 Å²	91.4	31%	0.31	50%	0.5	S	S	.	.			trans	-59.8	139.2	175.2	-172.6	-9.1	0	0	0	109.7	Y592 K601 E602 L603	Y592-D599 HydrophobicContact CE2-CB 3.79Å; D599-K601 PolarHBondContact O-N 3.28Å; D599-K601 VanDerWaalsContact O-N 3.14Å; D599-K601 PolarHBondContact OD1-N 3.48Å; D599-K601 VanDerWaalsContact OD1-N 3.14Å; D599-E602 HydrophobicContact CB-CG 4.48Å; D599-E602 WeakPolarHBondContact O-CA 3.45Å; D599-E602 WeakPolarHBondContact O-CB 2.96Å; D599-E602 PolarHBondContact O-N 2.92Å; D599-L603 PolarHBondContact O-N 3.08Å
600	I	68.4	Low	69.9	Low	98 Å²	98	88.1 Å²	88.1	50%	0.503	49%	0.494	S	S	.	.	H	α-helix	trans	-53	-35.7	175	-64.3	178.1	0	0	0	110.2	Y588 P598 L603 S604	Y588-I600 HydrophobicContact CD1-CD1 3.78Å; Y588-I600 HydrophobicContact CD1-CG1 3.77Å; Y588-I600 HydrophobicContact CE1-CB 4.48Å; Y588-I600 HydrophobicContact CE1-CD1 3.72Å; Y588-I600 HydrophobicContact CE1-CG1 3.15Å; Y588-I600 HydrophobicContact CE2-CG1 4.33Å; Y588-I600 VanDerWaalsContact CZ-CG1 3.45Å; P598-I600 PolarHBondContact O-N 2.89Å; I600-L603 PolarHBondContact O-N 3.24Å; I600-S604 WeakPolarHBondContact O-CB 3.4Å; I600-S604 PolarHBondContact O-N 2.65Å; I600-S604 PolarHBondContact O-OG 3.12Å
601	K	64.9	Low	68	Low	160 Å²	160	84.6 Å²	84.6	70%	0.696	48%	0.477	S	S	*	.	H	α-helix	trans	-62.6	-41.9	176.6	-69.9	-178.5	179.7	176	0	111.9	D599 S604 S605	D599-K601 PolarHBondContact O-N 3.28Å; D599-K601 VanDerWaalsContact O-N 3.14Å; D599-K601 PolarHBondContact OD1-N 3.48Å; D599-K601 VanDerWaalsContact OD1-N 3.14Å; K601-S604 PolarHBondContact O-N 2.97Å; K601-S604 PolarHBondContact O-OG 3.47Å; K601-S605 PolarHBondContact O-N 3.44Å; K601-S605 VanDerWaalsContact O-N 3.13Å
602	E	64	Low	65.9	Low	116 Å²	116	87 Å²	87	54%	0.542	50%	0.495	S	S	.	.	H	α-helix	trans	-64.7	-46.9	174.9	-76.5	-175.5	147.9	0	0	111.6	D599 S604 S605 L606	D599-E602 HydrophobicContact CB-CG 4.48Å; D599-E602 WeakPolarHBondContact O-CA 3.45Å; D599-E602 WeakPolarHBondContact O-CB 2.96Å; D599-E602 PolarHBondContact O-N 2.92Å; E602-S604 VanDerWaalsContact C-N 3.29Å; E602-S604 PolarHBondContact O-N 2.99Å; E602-S605 PolarHBondContact O-N 3.44Å; E602-S605 VanDerWaalsContact O-N 3.11Å; E602-S605 PolarHBondContact O-OG 3.33Å; E602-L606 PolarHBondContact O-N 3.18Å
603	L	63.6	Low	64	Low	72 Å²	72	90.1 Å²	90.1	38%	0.377	51%	0.511	S	S	.	.	H	α-helix	trans	-59.3	-40.7	176.9	-75.1	-179.5	0	0	0	112.4	Y588 V597 P598 D599 I600 S605 L606 Y607	Y588-L603 HydrophobicContact CE2-CD1 3.98Å; Y588-L603 WeakPolarHBondContact OH-CD1 3.48Å; V597-L603 HydrophobicContact CG1-CD1 4.48Å; P598-L603 HydrophobicContact CG-CD1 4.34Å; P598-L603 HydrophobicContact CG-CD2 3.8Å; P598-L603 HydrophobicContact CG-CG 3.87Å; D599-L603 PolarHBondContact O-N 3.08Å; I600-L603 PolarHBondContact O-N 3.24Å; L603-S605 VanDerWaalsContact C-N 3.3Å; L603-S605 PolarHBondContact O-N 3.16Å; L603-L606 PolarHBondContact O-N 2.88Å; L603-Y607 WeakPolarHBondContact O-CB 3.32Å; L603-Y607 PolarHBondContact O-N 3.41Å
604	S	57.6	Low	62	Low	56 Å²	56	90.6 Å²	90.6	39%	0.392	51%	0.505	S	S	.	.	H	α-helix	trans	-63.8	-37.1	177.7	74.2	0	0	0	0	112	I600 K601 E602 N608	I600-S604 WeakPolarHBondContact O-CB 3.4Å; I600-S604 PolarHBondContact O-N 2.65Å; I600-S604 PolarHBondContact O-OG 3.12Å; K601-S604 PolarHBondContact O-N 2.97Å; K601-S604 PolarHBondContact O-OG 3.47Å; E602-S604 VanDerWaalsContact C-N 3.29Å; E602-S604 PolarHBondContact O-N 2.99Å; S604-N608 WeakPolarHBondContact O-CB 3.34Å; S604-N608 PolarHBondContact O-N 3.15Å; S604-N608 PolarHBondContact O-ND2 3.26Å
605	S	59.5	Low	59.5	Low	68 Å²	68	88.5 Å²	88.5	48%	0.476	50%	0.495	S	S	.	.	H	α-helix	trans	-67.4	-42.2	176.4	75.6	0	0	0	0	112.1	K601 E602 L603 A609	K601-S605 PolarHBondContact O-N 3.44Å; K601-S605 VanDerWaalsContact O-N 3.13Å; E602-S605 PolarHBondContact O-N 3.44Å; E602-S605 VanDerWaalsContact O-N 3.11Å; E602-S605 PolarHBondContact O-OG 3.33Å; L603-S605 VanDerWaalsContact C-N 3.3Å; L603-S605 PolarHBondContact O-N 3.16Å; S605-A609 WeakPolarHBondContact O-CB 3.46Å; S605-A609 PolarHBondContact O-N 3Å
606	L	58.2	Low	57.2	Low	115 Å²	115	89.8 Å²	89.8	60%	0.602	49%	0.494	S	S	*	.	H	α-helix	trans	-65.9	-42.1	176.7	-71	169.6	0	0	0	111.7	E602 L603 A609 A610	E602-L606 PolarHBondContact O-N 3.18Å; L603-L606 PolarHBondContact O-N 2.88Å; L606-A609 PolarHBondContact O-N 3.48Å; L606-A610 WeakPolarHBondContact O-CB 3.31Å; L606-A610 PolarHBondContact O-N 3.3Å; L606-A610 VanDerWaalsContact O-N 3.08Å
607	Y	57	Low	54.9	Low	135 Å²	135	86.2 Å²	86.2	53%	0.529	49%	0.489	S	S	.	.	H	α-helix	trans	-65.8	-43.4	178.1	-173.9	-96.7	0	0	0	112.2	L603 A609 A610 T611	L603-Y607 WeakPolarHBondContact O-CB 3.32Å; L603-Y607 PolarHBondContact O-N 3.41Å; Y607-A609 VanDerWaalsContact C-N 3.28Å; Y607-A609 PolarHBondContact O-N 3.32Å; Y607-A610 PolarHBondContact O-N 3.37Å; Y607-T611 HydrophobicContact CD1-CG2 3.93Å; Y607-T611 HydrophobicContact CE1-CG2 3.41Å; Y607-T611 VanDerWaalsContact CE1-CG2 3.41Å; Y607-T611 HydrophobicContact CE2-CG2 4.17Å; Y607-T611 PolarHBondContact O-N 3.21Å; Y607-T611 PolarHBondContact O-OG1 3.3Å
608	N	51.4	Low	52.8	Low	81 Å²	81	91.4 Å²	91.4	43%	0.433	52%	0.516	S	S	.	.	H	α-helix	trans	-66.2	-31	176.6	-71.2	-18.5	0	0	0	112.2	S604 T611	S604-N608 WeakPolarHBondContact O-CB 3.34Å; S604-N608 PolarHBondContact O-N 3.15Å; S604-N608 PolarHBondContact O-ND2 3.26Å; N608-T611 WeakPolarHBondContact CA-OG1 3.34Å; N608-T611 PolarHBondContact O-OG1 2.87Å
609	A	54.5	Low	50.7	Low	82 Å²	82	95.4 Å²	95.4	68%	0.678	54%	0.538	S	S	*	.	H	α-helix	trans	-72.5	-31.3	173.8	0	0	0	0	0	113.1	S605 L606 Y607	S605-A609 WeakPolarHBondContact O-CB 3.46Å; S605-A609 PolarHBondContact O-N 3Å; L606-A609 PolarHBondContact O-N 3.48Å; Y607-A609 VanDerWaalsContact C-N 3.28Å; Y607-A609 PolarHBondContact O-N 3.32Å
610	A	52	Low	49.6	Very low	57 Å²	57	97.3 Å²	97.3	47%	0.471	55%	0.55	S	S	.	.	H	α-helix	trans	-88.1	-26.6	-176.4	0	0	0	0	0	114.4	L606 Y607 K613	L606-A610 WeakPolarHBondContact O-CB 3.31Å; L606-A610 PolarHBondContact O-N 3.3Å; L606-A610 VanDerWaalsContact O-N 3.08Å; Y607-A610 PolarHBondContact O-N 3.37Å; A610-K613 PolarHBondContact O-N 2.86Å
611	T	45.3	Very low	48.6	Very low	21 Å²	21	97.2 Å²	97.2	13%	0.129	55%	0.552	C	S	.	*	G	3₁₀ helix	trans	-62.8	-28.5	-171.9	23.4	0	0	0	0	116.8	Y607 N608 K613	Y607-T611 HydrophobicContact CD1-CG2 3.93Å; Y607-T611 HydrophobicContact CE1-CG2 3.41Å; Y607-T611 VanDerWaalsContact CE1-CG2 3.41Å; Y607-T611 HydrophobicContact CE2-CG2 4.17Å; Y607-T611 PolarHBondContact O-N 3.21Å; Y607-T611 PolarHBondContact O-OG1 3.3Å; N608-T611 WeakPolarHBondContact CA-OG1 3.34Å; N608-T611 PolarHBondContact O-OG1 2.87Å; T611-K613 PolarHBondContact O-N 3.05Å; T611-K613 VanDerWaalsContact O-N 3.15Å
612	P	41.5	Very low	47.7	Very low	97 Å²	97	93.7 Å²	93.7	63%	0.63	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-61.9	-23.7	177.7	-21.5	31.6	0	0	0	113.9
613	K	40.4	Very low	46.7	Very low	181 Å²	181	92.4 Å²	92.4	79%	0.787	54%	0.544	S	S	*	.	G	3₁₀ helix	trans	-94.3	-17	-172.7	-78.1	-175.4	175.5	-179.7	0	115.7	A610 T611	A610-K613 PolarHBondContact O-N 2.86Å; T611-K613 PolarHBondContact O-N 3.05Å; T611-K613 VanDerWaalsContact O-N 3.15Å
614	V	40.3	Very low	45.7	Very low	93 Å²	93	93.7 Å²	93.7	56%	0.564	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.2	-27.1	-173.3	-177.7	0	0	0	0	112.3	A617	V614-A617 PolarHBondContact O-N 3.38Å
615	L	38.1	Very low	44.9	Very low	67 Å²	67	96.2 Å²	96.2	35%	0.351	57%	0.566	S	S	.	*	G	3₁₀ helix	trans	-74.8	-25.2	178.9	-76.6	161.7	0	0	0	113	A617	L615-A617 PolarHBondContact O-N 3.01Å
616	S	34.1	Very low	43.8	Very low	91 Å²	91	98.2 Å²	98.2	64%	0.636	57%	0.572	S	S	*	*	G	3₁₀ helix	trans	-75.6	-6	173.4	63.5	0	0	0	0	114.1
617	A	35	Very low	42.7	Very low	69 Å²	69	96.9 Å²	96.9	57%	0.57	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-104.6	-1.8	-177	0	0	0	0	0	113.6	V614 L615	V614-A617 PolarHBondContact O-N 3.38Å; L615-A617 PolarHBondContact O-N 3.01Å
618	N	33.9	Very low	41.5	Very low	144 Å²	144	93.8 Å²	93.8	77%	0.77	57%	0.573	S	S	*	*			trans	-135	17.8	-177.5	-74.6	-46.7	0	0	0	113.6
619	V	31.8	Very low	40.6	Very low	142 Å²	142	94.9 Å²	94.9	86%	0.861	59%	0.586	S	S	*	*			trans	-99.8	0	155.7	-178.3	0	0	0	0	105.8

Retrieved 619 of 619 residues in 196.7 ms (Link to these results)

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