H2P9C3_PONAB Loading...

Nuclear receptor subfamily 2 group C member 2

AlphaFold DB , UniProt , Accession H2P9C3, Species PONAB (Pongo abelii, Sumatran orangutan), Gene NR2C2, Length 629 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.4	Very low	28.7	Very low	235 Å²	235	146.5 Å²	146.5	100%	1.158	80%	0.804	S	S	*	*				0	106.6	0	-62.6	168.5	-176	0	0	105.3
2	A	28.7	Very low	28.3	Very low	86 Å²	86	152.7 Å²	152.7	71%	0.711	81%	0.807	S	S	*	*			cis	60.1	128.4	30.6	0	0	0	0	0	111.4
3	T	32	Very low	27.9	Very low	141 Å²	141	151.2 Å²	151.2	87%	0.865	81%	0.807	S	S	*	*			cis	-156.3	165.8	6.2	-11	0	0	0	0	110.1
4	N	28.1	Very low	27.6	Very low	163 Å²	163	144.4 Å²	144.4	87%	0.872	79%	0.791	S	S	*	*			trans	-103.4	141.8	172.6	-127.8	7.8	0	0	0	111
5	M	30.1	Very low	27.3	Very low	163 Å²	163	143.6 Å²	143.6	80%	0.803	79%	0.792	S	S	*	*			trans	-84.5	174.8	172.2	-74.9	178.8	67.2	0	0	111.8
6	E	29.7	Very low	27.1	Very low	170 Å²	170	144.2 Å²	144.2	79%	0.794	79%	0.787	S	S	*	*			cis	-176.5	150.6	-42.8	-156	178.7	-179.1	0	0	108.1
7	G	28.3	Very low	26.9	Very low	65 Å²	65	145.3 Å²	145.3	67%	0.67	79%	0.786	S	S	*	*			trans	74	166.8	167.1	0	0	0	0	0	117.9
8	L	26.2	Very low	26.7	Very low	165 Å²	165	144.2 Å²	144.2	86%	0.864	78%	0.784	S	S	*	*			cis	-160.6	155.2	-13.1	-123.8	78.7	0	0	0	104.2
9	V	27.4	Very low	26.5	Very low	101 Å²	101	141.2 Å²	141.2	61%	0.612	78%	0.781	S	S	*	*			cis	157.3	150.8	-9	140.3	0	0	0	0	106.8
10	Q	27.1	Very low	26.2	Very low	160 Å²	160	143 Å²	143	75%	0.748	78%	0.783	S	S	*	*			trans	69.7	164	164.3	-81.8	156.7	7.6	0	0	119.5
11	H	25	Very low	26	Very low	162 Å²	162	142.7 Å²	142.7	75%	0.75	79%	0.785	S	S	*	*			cis	-131.3	-146.1	6.6	-136.2	-70.7	0	0	0	114.9
12	R	24.1	Very low	25.5	Very low	221 Å²	221	137 Å²	137	83%	0.834	76%	0.764	S	S	*	*			trans	-150.6	169	-148.7	-166.8	-176.3	-175.8	-169.6	3.5	114.5
13	V	23.1	Very low	25.2	Very low	134 Å²	134	143.8 Å²	143.8	81%	0.812	77%	0.771	S	S	*	*			trans	87.1	144.3	167.1	-170.2	0	0	0	0	115.7
14	G	23.1	Very low	24.7	Very low	56 Å²	56	143.1 Å²	143.1	58%	0.577	77%	0.767	S	S	*	*			cis	153.4	149.1	-13.7	0	0	0	0	0	115.9
15	T	23.8	Very low	24.5	Very low	132 Å²	132	144.2 Å²	144.2	81%	0.81	77%	0.767	S	S	*	*			trans	65.9	155.5	166.3	60	0	0	0	0	119.1
16	Q	23.9	Very low	24.1	Very low	153 Å²	153	143 Å²	143	72%	0.715	77%	0.769	S	S	*	*			cis	-167	159.4	-13.9	-115.6	-179.7	-16.5	0	0	112.7
17	Q	23.5	Very low	23.8	Very low	163 Å²	163	139.9 Å²	139.9	76%	0.762	77%	0.766	S	S	*	*			trans	66.3	158.6	148	-74.4	-175.7	5.1	0	0	121.5
18	V	23.4	Very low	23.4	Very low	126 Å²	126	148.7 Å²	148.7	76%	0.764	78%	0.779	S	S	*	*			cis	-168.6	164.6	-23	125.5	0	0	0	0	111.9
19	A	22.5	Very low	23.8	Very low	86 Å²	86	145.3 Å²	145.3	71%	0.711	77%	0.767	S	S	*	*			trans	73.2	160.2	160.6	0	0	0	0	0	120.9
20	E	21.4	Very low	23.7	Very low	177 Å²	177	149.1 Å²	149.1	83%	0.827	78%	0.778	S	S	*	*			cis	-172.9	-176.9	-26.8	-178.9	161	-159.7	0	0	110.2
21	V	21.9	Very low	23.8	Very low	138 Å²	138	146.5 Å²	146.5	84%	0.836	78%	0.778	S	S	*	*			trans	116.1	156.2	156.7	-175	0	0	0	0	117.3
22	T	21.8	Very low	24.4	Very low	116 Å²	116	145 Å²	145	71%	0.712	78%	0.782	S	S	*	*			trans	-153.7	158	-142.2	-41.6	0	0	0	0	115.8
23	R	23.3	Very low	24.4	Very low	227 Å²	227	138 Å²	138	86%	0.857	78%	0.779	S	S	*	*			trans	76.7	161.1	156.1	-116.3	179.2	-176.1	166.1	0.1	116.9
24	T	21.9	Very low	24.5	Very low	128 Å²	128	140.3 Å²	140.3	79%	0.785	78%	0.783	S	S	*	*			cis	-148	-173.3	11.5	-36.6	0	0	0	0	112.6
25	Q	23.8	Very low	24.8	Very low	185 Å²	185	144.6 Å²	144.6	86%	0.864	80%	0.798	S	S	*	*			trans	-117.2	156.1	-170.1	-59.1	172.2	-19.4	0	0	116.1
26	T	21.7	Very low	25	Very low	138 Å²	138	143.9 Å²	143.9	85%	0.847	80%	0.798	S	S	*	*			trans	-164.3	164.3	158.3	42	0	0	0	0	112.2
27	S	22.6	Very low	25.5	Very low	104 Å²	104	142.1 Å²	142.1	73%	0.727	80%	0.8	S	S	*	*				-172.1	75.1	-66.4	50.6	0	0	0	0	116.7
28	R	20.3	Very low	25.7	Very low	250 Å²	250	139.6 Å²	139.6	94%	0.943	80%	0.801	S	S	*	*			trans	64	173.1	159.7	-90.1	-176.2	-179.9	-170.8	-0.1	119.3
29	P	34.6	Very low	26	Very low	95 Å²	95	138.6 Å²	138.6	62%	0.617	80%	0.797	S	S	*	*			cis	-131.1	177	-12.6	35.4	-16	0	0	0	116.9
30	E	24.6	Very low	26.4	Very low	180 Å²	180	144.3 Å²	144.3	84%	0.841	80%	0.8	S	S	*	*			trans	59.1	149.3	148.9	-74.3	157.5	-145.9	0	0	122.5
31	S	28.8	Very low	27	Very low	106 Å²	106	140.9 Å²	140.9	74%	0.741	79%	0.786	S	S	*	*			cis	-159.5	-169.2	-20.9	69	0	0	0	0	110.4
32	P	37.7	Very low	27.3	Very low	130 Å²	130	140.6 Å²	140.6	84%	0.844	78%	0.776	S	S	*	*				-112.5	160.3	-117.6	39.8	-25.4	0	0	0	117.8
33	G	24.3	Very low	27.8	Very low	74 Å²	74	141.2 Å²	141.2	76%	0.763	77%	0.774	S	S	*	*			trans	-171.5	71.9	176.5	0	0	0	0	0	117.9
34	M	26	Very low	28.2	Very low	183 Å²	183	135.2 Å²	135.2	90%	0.901	76%	0.757	S	S	*	*			trans	36.8	92.4	157	-70.7	-75.7	97.9	0	0	120.4
35	T	29.2	Very low	28.8	Very low	145 Å²	145	134.3 Å²	134.3	89%	0.89	76%	0.756	S	S	*	*			trans	-160.5	133.5	133.4	8.2	0	0	0	0	108.9
36	S	28.5	Very low	29.2	Very low	117 Å²	117	130.4 Å²	130.4	82%	0.818	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-92.4	129	-177.2	42.9	0	0	0	0	112
37	P	33.1	Very low	29.5	Very low	117 Å²	117	130.5 Å²	130.5	76%	0.76	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-77.2	149.9	174.9	31.8	-34.4	0	0	0	111.7
38	S	28.7	Very low	30.3	Very low	110 Å²	110	130.6 Å²	130.6	77%	0.769	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-68.5	145.2	173.6	-48.5	0	0	0	0	111.6	R40	S38-R40 PolarHBondContact O-N 3.03Å
39	P	29.5	Very low	31	Very low	105 Å²	105	123 Å²	123	68%	0.682	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-65.8	130.8	-177.1	27	-34.7	0	0	0	111.6
40	R	31.1	Very low	30.8	Very low	206 Å²	206	124.8 Å²	124.8	78%	0.777	74%	0.741	S	S	*	*			trans	-104.5	124.9	177	-161.6	174.5	-167	162.2	3.8	109.3	S38	S38-R40 PolarHBondContact O-N 3.03Å
41	I	32.7	Very low	31.5	Very low	104 Å²	104	121.4 Å²	121.4	53%	0.533	74%	0.743	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.1	130.9	177.1	-59.3	173	0	0	0	108.3	I43 I58	I41-I43 HydrophobicContact CG2-CG1 4.44Å; I41-I58 HydrophobicContact CG2-CG2 3.73Å
42	Q	28.9	Very low	31.8	Very low	133 Å²	133	120.7 Å²	120.7	62%	0.621	74%	0.738	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107	137	165.3	-75.5	-174.1	-21.6	0	0	109.8
43	I	32.8	Very low	31.7	Very low	129 Å²	129	118.2 Å²	118.2	66%	0.662	72%	0.722	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.9	121.8	173.8	-58	174.5	0	0	0	106.3	I41	I41-I43 HydrophobicContact CG2-CG1 4.44Å
44	I	32.4	Very low	32.3	Very low	101 Å²	101	122.7 Å²	122.7	52%	0.518	72%	0.723	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.6	120.6	177.6	-59.2	175.3	0	0	0	107.6	T46	I44-T46 HydrophobicContact CG2-CG2 4.48Å
45	S	33.7	Very low	32.8	Very low	108 Å²	108	121.6 Å²	121.6	76%	0.755	71%	0.709	S	S	*	*			trans	-84.9	120.6	167.3	-168.3	0	0	0	0	108.7
46	T	33	Very low	33.2	Very low	104 Å²	104	118.9 Å²	118.9	64%	0.638	69%	0.688	S	S	*	*			trans	-96.1	112.7	171	53.7	0	0	0	0	108.8	I44	I44-T46 HydrophobicContact CG2-CG2 4.48Å
47	D	28.1	Very low	33.5	Very low	140 Å²	140	117 Å²	117	75%	0.749	67%	0.666	S	S	*	*			trans	-87.4	140.3	-168.7	-146.8	-26.4	0	0	0	113.8
48	S	38.1	Very low	33.8	Very low	105 Å²	105	113.9 Å²	113.9	73%	0.734	64%	0.643	S	S	*	*			trans	30.5	104.8	157.8	-63.1	0	0	0	0	120.9
49	A	35.5	Very low	34.1	Very low	90 Å²	90	112.3 Å²	112.3	74%	0.744	63%	0.629	S	S	*	*				-162.6	156.5	114.4	0	0	0	0	0	111.8
50	V	31.3	Very low	34.6	Very low	134 Å²	134	110.7 Å²	110.7	81%	0.812	62%	0.616	S	S	*	*	S	Bend	trans	70.8	135.2	176.4	-170.3	0	0	0	0	115.6	S52	V50-S52 PolarHBondContact O-N 3.4Å
51	A	37.3	Very low	35	Very low	108 Å²	108	107.6 Å²	107.6	89%	0.893	62%	0.615	S	S	*	*	S	Bend	trans	-70.4	97.6	-177.5	0	0	0	0	0	112.3
52	S	35	Very low	35.2	Very low	91 Å²	91	108.8 Å²	108.8	64%	0.636	62%	0.619	S	S	*	*	S	Bend	trans	-155.6	161.5	173.3	65	0	0	0	0	109	V50	V50-S52 PolarHBondContact O-N 3.4Å
53	P	36.1	Very low	35.6	Very low	78 Å²	78	112.4 Å²	112.4	51%	0.506	64%	0.636	S	S	.	*			trans	-65.2	143.1	-170.5	23.6	-33.5	0	0	0	113.4	R55 T72	P53-R55 PolarHBondContact O-N 3.16Å; P53-R55 VanDerWaalsContact O-N 3.16Å; P53-T72 WeakPolarHBondContact CB-O 3.39Å
54	Q	37.3	Very low	36.3	Very low	168 Å²	168	111.3 Å²	111.3	79%	0.785	64%	0.635	S	S	*	*			trans	-58.3	117.4	-179	-74	-178.1	-29.9	0	0	111.3
55	R	36	Very low	36.6	Very low	161 Å²	161	109.6 Å²	109.6	61%	0.608	64%	0.643	S	S	*	*			trans	-97.8	103.2	-179	-176.5	-177.9	-63.6	-168.7	-1.5	110	P53 Q69	P53-R55 PolarHBondContact O-N 3.16Å; P53-R55 VanDerWaalsContact O-N 3.16Å; R55-Q69 VanDerWaalsContact CZ-NE2 3.33Å
56	I	38.7	Very low	36.9	Very low	87 Å²	87	110.1 Å²	110.1	45%	0.446	63%	0.633	S	S	.	*			trans	-88.2	128.5	170.5	-60.6	172.6	0	0	0	108.2	I58	I56-I58 HydrophobicContact CG2-CG1 4.41Å
57	Q	34.8	Very low	37.2	Very low	78 Å²	78	111.3 Å²	111.3	36%	0.364	63%	0.629	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.1	127.4	174.9	-173.4	161.1	53.6	0	0	109.8
58	I	38.2	Very low	37.9	Very low	51 Å²	51	108.5 Å²	108.5	26%	0.262	61%	0.613	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.6	126.6	177.4	-56.8	178.4	0	0	0	107.5	I41 I56 I70	I41-I58 HydrophobicContact CG2-CG2 3.73Å; I56-I58 HydrophobicContact CG2-CG1 4.41Å; I58-I70 HydrophobicContact CD1-CD1 4.06Å
59	V	36.3	Very low	38	Very low	78 Å²	78	106 Å²	106	47%	0.473	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.7	121.1	174.9	-176	0	0	0	0	108.1
60	T	39.6	Very low	38.3	Very low	70 Å²	70	103.4 Å²	103.4	43%	0.429	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.4	124.9	173.9	48	0	0	0	0	109.7	Q62	T60-Q62 VanDerWaalsContact C-N 3.3Å; T60-Q62 PolarHBondContact O-N 3.46Å
61	D	38.2	Very low	38.6	Very low	141 Å²	141	100 Å²	100	75%	0.754	54%	0.543	S	S	*	.			trans	-78.5	77	178.2	-172.2	20.3	0	0	0	111.9
62	Q	37.3	Very low	38.7	Very low	130 Å²	130	96.5 Å²	96.5	61%	0.607	51%	0.51	S	S	*	.	S	Bend	trans	-143.5	156.2	161.6	-80.6	-173	12.3	0	0	109.4	T60 T64	T60-Q62 VanDerWaalsContact C-N 3.3Å; T60-Q62 PolarHBondContact O-N 3.46Å; Q62-T64 PolarHBondContact O-N 2.96Å
63	Q	37.8	Very low	38.9	Very low	208 Å²	208	94.4 Å²	94.4	97%	0.972	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	26.1	-159	-61.8	-176.4	-12.8	0	0	116.4
64	T	46.9	Very low	39	Very low	107 Å²	107	96.4 Å²	96.4	66%	0.656	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-10.7	-178.9	55.4	0	0	0	0	114.5	Q62 Q66	Q62-T64 PolarHBondContact O-N 2.96Å; T64-Q66 PolarHBondContact O-N 3.1Å
65	G	38.2	Very low	38.9	Very low	65 Å²	65	94.5 Å²	94.5	67%	0.67	51%	0.505	S	S	*	.			trans	68.1	1.3	167.6	0	0	0	0	0	117.5	K67	G65-K67 PolarHBondContact O-N 2.83Å
66	Q	40.8	Very low	39.2	Very low	119 Å²	119	92.1 Å²	92.1	56%	0.556	52%	0.519	S	S	*	.			trans	-66.7	128.8	-178.6	-73.2	-177.9	-27.4	0	0	112	T64	T64-Q66 PolarHBondContact O-N 3.1Å
67	K	39.8	Very low	39.1	Very low	128 Å²	128	92.7 Å²	92.7	56%	0.557	53%	0.531	S	S	*	.			trans	-103.9	101.4	-178.8	-67.2	175.8	-178.4	174.9	0	110	G65 P89	G65-K67 PolarHBondContact O-N 2.83Å; K67-P89 WeakPolarHBondContact O-CD 3.38Å
68	I	43	Very low	39.6	Very low	81 Å²	81	93.3 Å²	93.3	42%	0.415	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-74.1	132	176	-57.6	176.7	0	0	0	109.1	L86	I68-L86 HydrophobicContact CG2-CD2 3.94Å
69	Q	39.7	Very low	39.5	Very low	52 Å²	52	94 Å²	94	24%	0.243	57%	0.568	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.8	125.9	-177.2	-169.3	169.2	-10.1	0	0	110.4	R55 V71	R55-Q69 VanDerWaalsContact CZ-NE2 3.33Å; Q69-V71 HydrophobicContact CG-CG2 4.47Å
70	I	41.8	Very low	39.6	Very low	37 Å²	37	96.7 Å²	96.7	19%	0.19	59%	0.587	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.7	128.7	175.3	-58.8	170.8	0	0	0	108	I58 L86	I58-I70 HydrophobicContact CD1-CD1 4.06Å; I70-L86 HydrophobicContact CG1-CD2 3.8Å
71	V	37.9	Very low	39.6	Very low	61 Å²	61	100.1 Å²	100.1	37%	0.37	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.5	126.4	173.7	-175.8	0	0	0	0	109.1	Q69 I85	Q69-V71 HydrophobicContact CG-CG2 4.47Å; V71-I85 PolarHBondContact N-O 3.14Å; V71-I85 PolarHBondContact O-N 2.57Å
72	T	40.1	Very low	39.8	Very low	35 Å²	35	99.5 Å²	99.5	22%	0.215	59%	0.588	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-90.3	122.4	168.7	36.6	0	0	0	0	109.4	P53 F84	P53-T72 WeakPolarHBondContact CB-O 3.39Å; T72-F84 HydrophobicContact CG2-CD1 3.65Å; T72-F84 HydrophobicContact CG2-CE1 3.43Å; T72-F84 VanDerWaalsContact CG2-CE1 3.43Å; T72-F84 HydrophobicContact CG2-CZ 4.33Å
73	A	39.3	Very low	39.9	Very low	48 Å²	48	98.3 Å²	98.3	40%	0.397	58%	0.583	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.9	144.5	165.2	0	0	0	0	0	109
74	V	37.5	Very low	40.1	Very low	119 Å²	119	91.8 Å²	91.8	72%	0.721	55%	0.551	S	S	*	*			trans	-129.1	98	174.7	-178.7	0	0	0	0	107	A76	V74-A76 PolarHBondContact O-N 3.46Å
75	D	35.4	Very low	40	Very low	129 Å²	129	90.8 Å²	90.8	69%	0.69	54%	0.541	S	S	*	.			trans	-69.4	128.1	176.7	-82	-40.3	0	0	0	110.6	S77	D75-S77 PolarHBondContact O-N 3.18Å
76	A	41.7	Very low	40.1	Very low	111 Å²	111	90.4 Å²	90.4	92%	0.917	52%	0.523	S	S	*	.			trans	-85.5	43.8	-173.7	0	0	0	0	0	113.1	V74	V74-A76 PolarHBondContact O-N 3.46Å
77	S	37.4	Very low	40.3	Very low	98 Å²	98	87.9 Å²	87.9	69%	0.685	52%	0.516	S	S	*	.	S	Bend	trans	-150	123.8	173.2	59.7	0	0	0	0	114.5	D75 S79	D75-S77 PolarHBondContact O-N 3.18Å; S77-S79 PolarHBondContact O-N 2.89Å
78	G	44	Very low	40.3	Very low	92 Å²	92	85.4 Å²	85.4	95%	0.948	52%	0.515	S	S	*	.	S	Bend	trans	79.3	-20.6	148	0	0	0	0	0	120.4
79	S	35.8	Very low	40.2	Very low	66 Å²	66	84.7 Å²	84.7	46%	0.462	52%	0.516	S	S	.	.	S	Bend	trans	-165.5	150.6	168.6	61.7	0	0	0	0	113.6	S77 K81	S77-S79 PolarHBondContact O-N 2.89Å; S79-K81 PolarHBondContact O-N 3.03Å
80	P	38.7	Very low	40.3	Very low	134 Å²	134	87.4 Å²	87.4	87%	0.87	53%	0.532	S	S	*	.			trans	-80.9	52.1	-175.6	34.8	-37.5	0	0	0	113.5	Q82	P80-Q82 PolarHBondContact O-N 3.05Å
81	K	40.7	Very low	40.4	Very low	141 Å²	141	90 Å²	90	61%	0.613	57%	0.568	S	S	*	*			trans	-85.2	82.9	177.4	-70.4	-175.9	176.8	-177.9	0	110.9	S79 Q83	S79-K81 PolarHBondContact O-N 3.03Å; K81-Q83 PolarHBondContact O-N 2.66Å; K81-Q83 VanDerWaalsContact O-N 3.09Å
82	Q	42.8	Very low	40.5	Very low	128 Å²	128	91.9 Å²	91.9	60%	0.598	59%	0.59	S	S	*	*			trans	-62.2	108.9	172.5	-72.9	-173.5	-29.8	0	0	110.8	P80 F84	P80-Q82 PolarHBondContact O-N 3.05Å; Q82-F84 HydrophobicContact CB-CE2 3.91Å; Q82-F84 HydrophobicContact CB-CZ 4.38Å
83	Q	39.4	Very low	40.4	Very low	105 Å²	105	93.7 Å²	93.7	49%	0.491	62%	0.615	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95.8	129.4	172.5	-62.2	-171.9	16.8	0	0	109.9	K81	K81-Q83 PolarHBondContact O-N 2.66Å; K81-Q83 VanDerWaalsContact O-N 3.09Å
84	F	42.1	Very low	40.5	Very low	72 Å²	72	98.9 Å²	98.9	32%	0.316	64%	0.642	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.1	119.8	176.9	-65.2	-94.3	0	0	0	108.6	T72 Q82 L99	T72-F84 HydrophobicContact CG2-CD1 3.65Å; T72-F84 HydrophobicContact CG2-CE1 3.43Å; T72-F84 VanDerWaalsContact CG2-CE1 3.43Å; T72-F84 HydrophobicContact CG2-CZ 4.33Å; Q82-F84 HydrophobicContact CB-CE2 3.91Å; Q82-F84 HydrophobicContact CB-CZ 4.38Å; F84-L99 HydrophobicContact CB-CD1 4.05Å
85	I	44.1	Very low	40.6	Very low	86 Å²	86	96 Å²	96	44%	0.441	64%	0.636	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.8	127.2	-179.5	-53.6	179.1	0	0	0	108.8	V71 T87	V71-I85 PolarHBondContact N-O 3.14Å; V71-I85 PolarHBondContact O-N 2.57Å; I85-T87 HydrophobicContact CG2-CG2 4.09Å
86	L	41	Very low	40.7	Very low	57 Å²	57	99.7 Å²	99.7	30%	0.298	65%	0.646	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-95	128.3	170	-76.1	164.4	0	0	0	109.1	I68 I70 F112	I68-L86 HydrophobicContact CG2-CD2 3.94Å; I70-L86 HydrophobicContact CG1-CD2 3.8Å; L86-F112 HydrophobicContact CD1-CD1 4.49Å; L86-F112 HydrophobicContact CD1-CE1 3.82Å
87	T	43.5	Very low	40.6	Very low	65 Å²	65	97 Å²	97	40%	0.399	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.1	133.5	175	52.9	0	0	0	0	110.9	I85	I85-T87 HydrophobicContact CG2-CG2 4.09Å
88	S	41.3	Very low	40.6	Very low	77 Å²	77	99.2 Å²	99.2	54%	0.538	62%	0.621	S	S	.	*			trans	-62.5	143.2	161	-175.7	0	0	0	0	109.4	D90	S88-D90 VanDerWaalsContact C-N 3.26Å; S88-D90 PolarHBondContact O-N 3.4Å
89	P	39.8	Very low	40.3	Very low	66 Å²	66	96.3 Å²	96.3	43%	0.429	58%	0.583	S	S	.	*	S	Bend	trans	-67.9	-28.3	175.3	28.6	-35.2	0	0	0	112.4	K67	K67-P89 WeakPolarHBondContact O-CD 3.38Å
90	D	42	Very low	40.4	Very low	109 Å²	109	97.4 Å²	97.4	58%	0.583	60%	0.597	S	S	*	*	S	Bend	trans	-94.4	114.9	179.9	-57.8	-48	0	0	0	109.9	S88 A92	S88-D90 VanDerWaalsContact C-N 3.26Å; S88-D90 PolarHBondContact O-N 3.4Å; D90-A92 PolarHBondContact O-N 3.48Å
91	G	44.2	Very low	40.4	Very low	92 Å²	92	95.7 Å²	95.7	95%	0.948	59%	0.588	S	S	*	*	S	Bend	trans	-73.7	33.6	-166.7	0	0	0	0	0	117
92	A	40.3	Very low	40.1	Very low	100 Å²	100	93.1 Å²	93.1	83%	0.826	59%	0.586	S	S	*	*			trans	-135.2	80.2	-178.2	0	0	0	0	0	111.5	D90	D90-A92 PolarHBondContact O-N 3.48Å
93	G	37	Very low	39.9	Very low	72 Å²	72	95.2 Å²	95.2	74%	0.742	60%	0.595	S	S	*	*			trans	-178.6	128.4	175.7	0	0	0	0	0	113	G95	G93-G95 PolarHBondContact O-N 3.35Å
94	T	42.7	Very low	39.6	Very low	157 Å²	157	95.7 Å²	95.7	96%	0.963	61%	0.606	S	S	*	*			trans	-80.2	102.1	-178.7	45.9	0	0	0	0	111.5
95	G	38.2	Very low	39.7	Very low	58 Å²	58	98.1 Å²	98.1	60%	0.598	63%	0.632	S	S	*	*			trans	-166.3	66.9	-179.1	0	0	0	0	0	115.2	G93 V97	G93-G95 PolarHBondContact O-N 3.35Å; G95-V97 PolarHBondContact O-N 3.26Å
96	K	38	Very low	39.4	Very low	208 Å²	208	100 Å²	100	90%	0.904	65%	0.653	S	S	*	*			trans	-80.6	98.5	171.2	-70.2	-172.6	-179.7	-177.9	0	110.5
97	V	39.2	Very low	39.1	Very low	54 Å²	54	100.8 Å²	100.8	33%	0.327	67%	0.667	S	S	.	*			trans	-84.9	114.6	171	-179.8	0	0	0	0	109.3	G95 F112	G95-V97 PolarHBondContact O-N 3.26Å; V97-F112 HydrophobicContact CG1-CD1 4.45Å
98	I	38.8	Very low	38.9	Very low	144 Å²	144	107.5 Å²	107.5	74%	0.738	69%	0.691	S	S	*	*	B	Isolated β-bridge	trans	-99.7	120.1	177.3	-57.7	177.1	0	0	0	108.8
99	L	37.3	Very low	38.7	Very low	31 Å²	31	107.2 Å²	107.2	16%	0.162	68%	0.68	C	S	.	*			trans	-94.1	111.2	176.5	-70.8	169.2	0	0	0	110.5	F84 L110 F112	F84-L99 HydrophobicContact CB-CD1 4.05Å; L99-L110 HydrophobicContact CD2-CD2 4.45Å; L99-F112 HydrophobicContact CD1-CE1 3.98Å; L99-F112 HydrophobicContact CD1-CZ 4.26Å; L99-F112 HydrophobicContact CD2-CD1 4.18Å; L99-F112 HydrophobicContact CD2-CE1 3.89Å; L99-F112 HydrophobicContact CD2-CZ 4.39Å; L99-F112 HydrophobicContact CG-CE1 4.4Å
100	A	37.7	Very low	38.6	Very low	90 Å²	90	107.3 Å²	107.3	74%	0.744	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-98.7	132.2	171.4	0	0	0	0	0	110.7
101	S	39.3	Very low	38.3	Very low	97 Å²	97	107.9 Å²	107.9	68%	0.678	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-87.1	130.1	171.4	-173.1	0	0	0	0	110.1
102	P	33.7	Very low	38	Very low	88 Å²	88	107.9 Å²	107.9	57%	0.571	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-69.6	138.3	164.8	29.9	-32.9	0	0	0	109.9	T104	P102-T104 PolarHBondContact O-N 2.98Å; P102-T104 VanDerWaalsContact O-N 3.07Å
103	E	37.9	Very low	37.7	Very low	171 Å²	171	108.7 Å²	108.7	80%	0.799	65%	0.648	S	S	*	*			trans	-85	72.3	-177.8	-67.2	-177.9	169	0	0	111.5
104	T	33.8	Very low	37.7	Very low	116 Å²	116	111 Å²	111	71%	0.712	65%	0.648	S	S	*	*			trans	-138	134.4	166.3	49	0	0	0	0	112.6	P102 S106	P102-T104 PolarHBondContact O-N 2.98Å; P102-T104 VanDerWaalsContact O-N 3.07Å; T104-S106 PolarHBondContact O-N 3.24Å
105	S	44.5	Very low	37.4	Very low	123 Å²	123	109 Å²	109	86%	0.86	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.9	85.6	-172.9	42.3	0	0	0	0	113
106	S	37.8	Very low	37.2	Very low	126 Å²	126	112.9 Å²	112.9	88%	0.881	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-178	-11.2	151.9	37.2	0	0	0	0	116.1	T104	T104-S106 PolarHBondContact O-N 3.24Å
107	A	35.1	Very low	36.9	Very low	72 Å²	72	109.8 Å²	109.8	60%	0.595	64%	0.64	S	S	*	*			trans	-138.5	100.8	-179.1	0	0	0	0	0	113.3	Q109	A107-Q109 PolarHBondContact O-N 3.46Å
108	K	38.9	Very low	36.9	Very low	207 Å²	207	114.5 Å²	114.5	90%	0.9	66%	0.663	S	S	*	*			trans	-76.9	84	169.9	-68.9	-170.8	178.5	-174.2	0	110.5
109	Q	37.4	Very low	36.6	Very low	70 Å²	70	113.8 Å²	113.8	33%	0.327	67%	0.665	S	S	.	*			trans	-105.9	132.6	166.4	-74	-169.1	-10.3	0	0	110.5	A107 R122	A107-Q109 PolarHBondContact O-N 3.46Å; Q109-R122 VanDerWaalsContact OE1-CZ 3.28Å; Q109-R122 VanDerWaalsContact OE1-NE 3.11Å
110	L	37.4	Very low	36.5	Very low	69 Å²	69	118 Å²	118	36%	0.361	70%	0.695	S	S	.	*			trans	-101.1	139.3	168.3	-65.1	170.2	0	0	0	108.2	L99 F112	L99-L110 HydrophobicContact CD2-CD2 4.45Å; L110-F112 HydrophobicContact CB-CE2 4.47Å
111	I	36	Very low	36.5	Very low	120 Å²	120	116.7 Å²	116.7	62%	0.615	69%	0.69	S	S	*	*			trans	-120.6	128.3	177.2	-58.6	177.2	0	0	0	107
112	F	36.8	Very low	36.3	Very low	92 Å²	92	121 Å²	121	40%	0.404	69%	0.691	S	S	.	*			trans	-102.7	132.6	174.1	-64.7	-84.4	0	0	0	109.4	L86 V97 L99 L110	L86-F112 HydrophobicContact CD1-CD1 4.49Å; L86-F112 HydrophobicContact CD1-CE1 3.82Å; V97-F112 HydrophobicContact CG1-CD1 4.45Å; L99-F112 HydrophobicContact CD1-CE1 3.98Å; L99-F112 HydrophobicContact CD1-CZ 4.26Å; L99-F112 HydrophobicContact CD2-CD1 4.18Å; L99-F112 HydrophobicContact CD2-CE1 3.89Å; L99-F112 HydrophobicContact CD2-CZ 4.39Å; L99-F112 HydrophobicContact CG-CE1 4.4Å; L110-F112 HydrophobicContact CB-CE2 4.47Å
113	T	34.2	Very low	36.6	Very low	117 Å²	117	122.4 Å²	122.4	72%	0.718	69%	0.692	S	S	*	*			trans	-125.5	106.4	170.4	52.4	0	0	0	0	108
114	T	36.3	Very low	36.4	Very low	121 Å²	121	120.8 Å²	120.8	74%	0.742	69%	0.685	S	S	*	*			trans	-80.7	139.2	167	44.5	0	0	0	0	109.1	D116	T114-D116 PolarHBondContact O-N 3.09Å
115	S	38	Very low	36.6	Very low	114 Å²	114	120.9 Å²	120.9	80%	0.797	68%	0.68	S	S	*	*	S	Bend	trans	-61.3	134.7	161.8	-54.5	0	0	0	0	108.5
116	D	33.3	Very low	36.1	Very low	140 Å²	140	118.5 Å²	118.5	75%	0.749	66%	0.66	S	S	*	*	S	Bend	trans	83.4	95.1	176.7	-52.5	-20.7	0	0	0	117.9	T114	T114-D116 PolarHBondContact O-N 3.09Å
117	N	31.8	Very low	36.1	Very low	143 Å²	143	119 Å²	119	77%	0.765	66%	0.657	S	S	*	*	S	Bend	trans	71.2	116.6	147.9	-72.1	-54.2	0	0	0	122.3
118	L	38.9	Very low	36.2	Very low	154 Å²	154	118.9 Å²	118.9	81%	0.806	65%	0.647	S	S	*	*	S	Bend	trans	68.9	124.4	153.3	-80.2	78.2	0	0	0	120
119	V	32.2	Very low	36.3	Very low	129 Å²	129	113.8 Å²	113.8	78%	0.782	64%	0.638	S	S	*	*			trans	71	101.8	168.7	-167.8	0	0	0	0	116.5	G121	V119-G121 PolarHBondContact O-N 3.23Å; V119-G121 VanDerWaalsContact O-N 3.11Å
120	P	34.9	Very low	36.7	Very low	120 Å²	120	113.1 Å²	113.1	78%	0.779	64%	0.644	S	S	*	*			trans	-75.1	100.5	172.5	30.2	-33.2	0	0	0	111.9	R122	P120-R122 PolarHBondContact O-N 3.2Å
121	G	38.6	Very low	37	Very low	62 Å²	62	111.5 Å²	111.5	64%	0.639	64%	0.638	S	S	*	*			trans	-72.5	113	172.6	0	0	0	0	0	112.5	V119 I123	V119-G121 PolarHBondContact O-N 3.23Å; V119-G121 VanDerWaalsContact O-N 3.11Å; G121-I123 PolarHBondContact O-N 3.17Å
122	R	35.8	Very low	37.4	Very low	188 Å²	188	109.1 Å²	109.1	71%	0.709	63%	0.629	S	S	*	*			trans	-89.2	92.2	-178.7	-164.5	-175.4	-161.2	159.8	5.7	111.5	Q109 P120	Q109-R122 VanDerWaalsContact OE1-CZ 3.28Å; Q109-R122 VanDerWaalsContact OE1-NE 3.11Å; P120-R122 PolarHBondContact O-N 3.2Å
123	I	38.4	Very low	37.7	Very low	116 Å²	116	112.2 Å²	112.2	60%	0.595	65%	0.645	S	S	*	*			trans	-78	124.8	173.8	-58.5	176.1	0	0	0	109.5	G121 I125	G121-I123 PolarHBondContact O-N 3.17Å; I123-I125 HydrophobicContact CG2-CG1 4.4Å
124	Q	34.6	Very low	38.3	Very low	138 Å²	138	116.2 Å²	116.2	65%	0.645	65%	0.647	S	S	*	*			trans	-106.9	107.1	174.5	-177.9	171.1	-10.3	0	0	110	V126	Q124-V126 HydrophobicContact CG-CG2 4.24Å; Q124-V126 PolarHBondContact O-N 3.49Å
125	I	37.7	Very low	38.7	Very low	117 Å²	117	117.3 Å²	117.3	60%	0.6	65%	0.647	S	S	*	*			trans	-80	115.8	173.7	-56.5	176.8	0	0	0	108.1	I123 T127	I123-I125 HydrophobicContact CG2-CG1 4.4Å; I125-T127 HydrophobicContact CG2-CG2 4.1Å
126	V	34.2	Very low	38.9	Very low	73 Å²	73	118.9 Å²	118.9	44%	0.442	65%	0.646	S	S	.	*			trans	-99	115.3	177.4	-179.4	0	0	0	0	108.5	Q124	Q124-V126 HydrophobicContact CG-CG2 4.24Å; Q124-V126 PolarHBondContact O-N 3.49Å
127	T	37.8	Very low	39.3	Very low	136 Å²	136	114.8 Å²	114.8	83%	0.834	64%	0.637	S	S	*	*			trans	-101.5	25.7	-175.6	63.9	0	0	0	0	113	I125	I125-T127 HydrophobicContact CG2-CG2 4.1Å
128	D	37.7	Very low	39.6	Very low	70 Å²	70	115.4 Å²	115.4	37%	0.374	63%	0.633	S	S	.	*			trans	-126.8	128.6	-178.5	118.2	59.6	0	0	0	110.4	A130 S131	D128-A130 WeakPolarHBondContact OD1-CA 3.16Å; D128-A130 WeakPolarHBondContact OD1-CB 3.45Å; D128-A130 PolarHBondContact OD1-N 3.44Å; D128-S131 PolarHBondContact OD1-N 3.32Å; D128-S131 WeakPolarHBondContact OD2-CB 3.46Å; D128-S131 PolarHBondContact OD2-OG 3.41Å
129	S	40.1	Very low	39.7	Very low	101 Å²	101	114.6 Å²	114.6	71%	0.706	63%	0.634	S	S	*	*	H	α-helix	trans	-73.4	-26.7	-174.7	-52.3	0	0	0	0	113.9	S131 V132 E133	S129-S131 VanDerWaalsContact C-N 3.29Å; S129-S131 PolarHBondContact O-N 2.97Å; S129-V132 WeakPolarHBondContact O-CB 3.16Å; S129-V132 PolarHBondContact O-N 3.11Å; S129-V132 VanDerWaalsContact O-N 3.1Å; S129-E133 PolarHBondContact O-N 3.04Å
130	A	46.8	Very low	40.3	Very low	55 Å²	55	116.3 Å²	116.3	46%	0.455	64%	0.639	S	S	.	*	H	α-helix	trans	-74.3	-21.4	179.6	0	0	0	0	0	112.3	D128	D128-A130 WeakPolarHBondContact OD1-CA 3.16Å; D128-A130 WeakPolarHBondContact OD1-CB 3.45Å; D128-A130 PolarHBondContact OD1-N 3.44Å
131	S	44.1	Very low	40.6	Very low	35 Å²	35	116.6 Å²	116.6	25%	0.245	64%	0.639	C	S	.	*	H	α-helix	trans	-76.4	-24	166.6	-71.1	0	0	0	0	113.5	D128 S129	D128-S131 PolarHBondContact OD1-N 3.32Å; D128-S131 WeakPolarHBondContact OD2-CB 3.46Å; D128-S131 PolarHBondContact OD2-OG 3.41Å; S129-S131 VanDerWaalsContact C-N 3.29Å; S129-S131 PolarHBondContact O-N 2.97Å
132	V	43.7	Very low	41.1	Very low	71 Å²	71	122.6 Å²	122.6	43%	0.43	65%	0.65	S	S	.	*	H	α-helix	trans	-73.8	-40.9	178.5	179.9	0	0	0	0	111.6	S129 R134 L135 L136	S129-V132 WeakPolarHBondContact O-CB 3.16Å; S129-V132 PolarHBondContact O-N 3.11Å; S129-V132 VanDerWaalsContact O-N 3.1Å; V132-R134 PolarHBondContact O-N 3.33Å; V132-L135 PolarHBondContact O-N 2.96Å; V132-L136 HydrophobicContact CG1-CD1 4.25Å; V132-L136 PolarHBondContact O-N 3.3Å
133	E	42.8	Very low	41.4	Very low	156 Å²	156	123 Å²	123	73%	0.729	65%	0.652	S	S	*	*	H	α-helix	trans	-57.3	-36.1	175.4	-68.7	-168.7	122	0	0	112.5	S129 L135 L136 G137	S129-E133 PolarHBondContact O-N 3.04Å; E133-L135 PolarHBondContact O-N 3.15Å; E133-L136 PolarHBondContact O-N 3.23Å; E133-G137 PolarHBondContact O-N 3.35Å
134	R	47.6	Very low	41.8	Very low	201 Å²	201	123.2 Å²	123.2	76%	0.758	66%	0.66	S	S	*	*	H	α-helix	trans	-67.6	-17.3	177	-67.8	-176.5	178.4	131.7	0.1	114.1	V132	V132-R134 PolarHBondContact O-N 3.33Å
135	L	44.8	Very low	42.8	Very low	144 Å²	144	125 Å²	125	75%	0.754	67%	0.669	S	S	*	*	H	α-helix	trans	-95.9	-25.5	-179.3	-75.5	165.3	0	0	0	113.5	V132 E133	V132-L135 PolarHBondContact O-N 2.96Å; E133-L135 PolarHBondContact O-N 3.15Å
136	L	40.9	Very low	44.4	Very low	148 Å²	148	125.9 Å²	125.9	78%	0.775	68%	0.679	S	S	*	*	H	α-helix	trans	-91.7	-16.2	179.6	-63.9	175.4	0	0	0	113.5	V132 E133 K138	V132-L136 HydrophobicContact CG1-CD1 4.25Å; V132-L136 PolarHBondContact O-N 3.3Å; E133-L136 PolarHBondContact O-N 3.23Å; L136-K138 PolarHBondContact O-N 3.2Å; L136-K138 VanDerWaalsContact O-N 3.14Å
137	G	42.8	Very low	46.6	Very low	54 Å²	54	125.3 Å²	125.3	56%	0.557	68%	0.676	S	S	*	*			trans	-84.5	69.6	-178.6	0	0	0	0	0	116	E133	E133-G137 PolarHBondContact O-N 3.35Å
138	K	38.5	Very low	49.1	Very low	155 Å²	155	124 Å²	124	67%	0.674	66%	0.66	S	S	*	*			trans	-169.9	105.7	155.1	-99.1	140.5	-167.3	167.6	0	113.1	L136	L136-K138 PolarHBondContact O-N 3.2Å; L136-K138 VanDerWaalsContact O-N 3.14Å
139	T	39.9	Very low	51.9	Low	137 Å²	137	127.7 Å²	127.7	84%	0.84	67%	0.67	S	S	*	*	S	Bend	trans	-79.1	164.5	142.8	42.3	0	0	0	0	109.8	V141	T139-V141 PolarHBondContact O-N 3.05Å
140	D	44.2	Very low	54.7	Low	165 Å²	165	123 Å²	123	88%	0.882	64%	0.637	S	S	*	*	S	Bend	trans	-63.1	113.2	-170.5	-99.9	-56.5	0	0	0	114.6
141	V	41	Very low	57.1	Low	126 Å²	126	123.5 Å²	123.5	76%	0.764	63%	0.634	S	S	*	*			trans	-143.1	128.9	151	-174.4	0	0	0	0	107.9	T139 R143	T139-V141 PolarHBondContact O-N 3.05Å; V141-R143 PolarHBondContact O-N 3.19Å
142	Q	50.6	Low	59.7	Low	189 Å²	189	121.9 Å²	121.9	88%	0.883	62%	0.623	S	S	*	*			trans	-61.3	107.5	180	-70.3	173.9	-21.9	0	0	111.4
143	R	42.1	Very low	62.2	Low	197 Å²	197	118.7 Å²	118.7	74%	0.743	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-83.7	139.8	165.6	-76.2	-167.3	179.5	-168.7	0	110.3	V141 Q145	V141-R143 PolarHBondContact O-N 3.19Å; R143-Q145 PolarHBondContact O-N 3.04Å
144	P	45.3	Very low	64.7	Low	119 Å²	119	113.6 Å²	113.6	77%	0.773	59%	0.593	S	S	*	*	P	Polyproline II helix	trans	-55.7	135.3	168.1	-23.3	33.4	0	0	0	110.9	V146	P144-V146 PolarHBondContact O-N 3.25Å
145	Q	55.7	Low	67.1	Low	177 Å²	177	105.1 Å²	105.1	83%	0.827	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-68.1	118.3	168.3	-72	-168.3	-5.2	0	0	108.9	R143 V147	R143-Q145 PolarHBondContact O-N 3.04Å; Q145-V147 PolarHBondContact O-N 3.42Å; Q145-V147 VanDerWaalsContact O-N 3.07Å
146	V	71.1	Confident	69.6	Low	135 Å²	135	104.4 Å²	104.4	82%	0.818	55%	0.554	S	S	*	*			trans	-67.3	107.8	174.9	-179	0	0	0	0	108.2	P144 E148	P144-V146 PolarHBondContact O-N 3.25Å; V146-E148 PolarHBondContact O-N 3.43Å
147	V	80.4	Confident	72.2	Confident	61 Å²	61	98.1 Å²	98.1	37%	0.37	52%	0.523	S	S	.	.			trans	-80.4	103.5	179.4	-179.6	0	0	0	0	108.9	Q145 Y149 K156	Q145-V147 PolarHBondContact O-N 3.42Å; Q145-V147 VanDerWaalsContact O-N 3.07Å; V147-Y149 HydrophobicContact CB-CE2 4.43Å; V147-Y149 HydrophobicContact CG1-CE2 4.17Å; V147-Y149 VanDerWaalsContact O-CD2 3.25Å; V147-Y149 WeakPolarHBondContact O-CD2 3.47Å; V147-Y149 VanDerWaalsContact O-CE2 3.24Å; V147-Y149 WeakPolarHBondContact O-CE2 3.4Å; V147-K156 HydrophobicContact CG1-CD 4.1Å; V147-K156 HydrophobicContact CG1-CG 3.97Å
148	E	91.4	Very high	74.8	Confident	107 Å²	107	98.3 Å²	98.3	50%	0.5	52%	0.516	S	S	.	.			trans	-71.3	146.5	170.2	-66.8	-170	158.1	0	0	111.7	V146 A157 V165	V146-E148 PolarHBondContact O-N 3.43Å; E148-A157 HydrophobicContact CB-CB 4Å; E148-A157 WeakPolarHBondContact O-CB 3.4Å; E148-A157 PolarHBondContact O-N 3.45Å; E148-V165 HydrophobicContact CB-CG1 3.97Å; E148-V165 VanDerWaalsContact OE2-CG1 3.31Å; E148-V165 WeakPolarHBondContact OE2-CG1 3.36Å
149	Y	96.8	Very high	77.4	Confident	149 Å²	149	92.1 Å²	92.1	58%	0.584	50%	0.496	S	S	*	.	B	Isolated β-bridge	trans	-115.6	146.8	179.4	-68.3	-91.3	0	0	0	111.2	V147 V151 G154	V147-Y149 HydrophobicContact CB-CE2 4.43Å; V147-Y149 HydrophobicContact CG1-CE2 4.17Å; V147-Y149 VanDerWaalsContact O-CD2 3.25Å; V147-Y149 WeakPolarHBondContact O-CD2 3.47Å; V147-Y149 VanDerWaalsContact O-CE2 3.24Å; V147-Y149 WeakPolarHBondContact O-CE2 3.4Å; Y149-V151 PolarHBondContact O-N 3.03Å; Y149-G154 WeakPolarHBondContact CD1-O 3.25Å
150	C	97.9	Very high	80	Confident	2 Å²	2	94.2 Å²	94.2	1%	0.014	49%	0.488	C	S	.	.			trans	-71	112.2	-178.1	174.9	0	0	0	0	111.3	V152 C153 G154 D155 S166 C167	C150-V152 PolarHBondContact O-N 2.78Å; C150-C153 PolarHBondContact O-N 3.42Å; C150-C153 VanDerWaalsContact SG-SG 3.68Å; C150-G154 PolarHBondContact O-N 2.93Å; C150-D155 WeakPolarHBondContact CB-O 3.5Å; C150-D155 PolarHBondContact N-O 3.18Å; C150-S166 VanDerWaalsContact SG-CA 3.57Å; C150-C167 HydrophobicContact CB-CB 3.97Å; C150-C167 PolarHBondContact SG-N 2.9Å; C150-C167 VanDerWaalsContact SG-N 3.43Å
151	V	97.5	Very high	82.5	Confident	66 Å²	66	87.7 Å²	87.7	40%	0.4	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.9	-177.6	-61.7	0	0	0	0	113.9	Y149 A164 V165 M213	Y149-V151 PolarHBondContact O-N 3.03Å; V151-A164 HydrophobicContact CG2-CB 4.31Å; V151-V165 WeakPolarHBondContact CG2-O 3.29Å; V151-V165 PolarHBondContact N-O 3.07Å; V151-M213 HydrophobicContact CB-CB 4.37Å; V151-M213 HydrophobicContact CB-CG 4.41Å; V151-M213 HydrophobicContact CB-SD 4.11Å; V151-M213 HydrophobicContact CG2-CB 3.62Å; V151-M213 HydrophobicContact CG2-CG 4.11Å; V151-M213 HydrophobicContact CG2-SD 4.39Å
152	V	98	Very high	85.2	Confident	0 Å²	0	83.8 Å²	83.8	0%	0	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-39.3	178.5	-176.2	0	0	0	0	112.7	C150 C170 I194 K209 M213 M215	C150-V152 PolarHBondContact O-N 2.78Å; V152-C170 HydrophobicContact CB-CB 4.4Å; V152-I194 HydrophobicContact CG1-CG2 4.17Å; V152-I194 WeakPolarHBondContact O-CG2 3.48Å; V152-K209 HydrophobicContact CG1-CB 4.45Å; V152-K209 HydrophobicContact CG1-CG 4.4Å; V152-K209 WeakPolarHBondContact O-CD 3.36Å; V152-K209 VanDerWaalsContact O-CE 3.27Å; V152-K209 WeakPolarHBondContact O-CE 3.38Å; V152-K209 PolarHBondContact O-NZ 2.91Å; V152-M213 HydrophobicContact CG2-CB 4.24Å; V152-M213 HydrophobicContact CG2-CG 4.4Å; V152-M215 HydrophobicContact CG2-CE 4.3Å
153	C	97.1	Very high	87.3	Confident	5 Å²	5	76.2 Å²	76.2	3%	0.034	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.2	3.1	-166.7	71.3	0	0	0	0	117.5	C150 D155 C167 C170 I194 N195 K196 R199	C150-C153 PolarHBondContact O-N 3.42Å; C150-C153 VanDerWaalsContact SG-SG 3.68Å; C153-D155 PolarHBondContact O-N 3.45Å; C153-C167 VanDerWaalsContact SG-SG 3.7Å; C153-C170 VanDerWaalsContact SG-SG 3.68Å; C153-I194 HydrophobicContact CB-CG2 3.99Å; C153-N195 CarbonylContact O-C 3.28Å; C153-N195 VanDerWaalsContact O-C 3.28Å; C153-N195 WeakPolarHBondContact O-CA 3.02Å; C153-K196 PolarHBondContact O-N 3.49Å; C153-R199 HydrophobicContact CB-CB 4.3Å; C153-R199 PolarHBondContact SG-NH1 3.1Å
154	G	95.9	Very high	89.8	Confident	49 Å²	49	67 Å²	67	51%	0.505	36%	0.363	S	S	.	.	S	Bend	trans	70.9	5.1	178	0	0	0	0	0	115.9	Y149 C150	Y149-G154 WeakPolarHBondContact CD1-O 3.25Å; C150-G154 PolarHBondContact O-N 2.93Å
155	D	97	Very high	92.3	Very high	22 Å²	22	62.5 Å²	62.5	12%	0.118	33%	0.333	C	S	.	.	S	Bend	trans	-78	158.8	172.3	-160.6	5.4	0	0	0	111.2	C150 C153 A157 C167 K196 R199	C150-D155 WeakPolarHBondContact CB-O 3.5Å; C150-D155 PolarHBondContact N-O 3.18Å; C153-D155 PolarHBondContact O-N 3.45Å; D155-A157 PolarHBondContact O-N 3.22Å; D155-C167 HydrophobicContact CB-CB 4.31Å; D155-K196 HydrophobicContact CB-CB 4.27Å; D155-K196 HydrophobicContact CB-CD 4.18Å; D155-K196 HydrophobicContact CB-CG 4.1Å; D155-K196 WeakPolarHBondContact OD1-CD 3.33Å; D155-K196 WeakPolarHBondContact OD1-CE 3.28Å; D155-K196 IonicContact OD1-NZ 2.62Å; D155-K196 PolarHBondContact OD1-NZ 3.08Å; D155-R199 VanDerWaalsContact CB-NH1 3.33Å; D155-R199 IonicContact OD2-CZ 3.71Å; D155-R199 IonicContact OD2-NH1 2.62Å; D155-R199 PolarHBondContact OD2-NH1 3.49Å; D155-R199 IonicContact OD2-NH2 3.54Å; D155-R199 PolarHBondContact OD2-NH2 2.61Å
156	K	96.9	Very high	94.3	Very high	130 Å²	130	54 Å²	54	57%	0.565	29%	0.294	S	S	*	.	B	Isolated β-bridge	trans	-57	128.1	-178.8	-178.1	170.6	178.9	175.8	0	110.5	V147 C167	V147-K156 HydrophobicContact CG1-CD 4.1Å; V147-K156 HydrophobicContact CG1-CG 3.97Å; K156-C167 WeakPolarHBondContact O-CB 3.17Å
157	A	96.8	Very high	95.6	Very high	15 Å²	15	47.8 Å²	47.8	12%	0.124	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-73.5	152.9	178.6	0	0	0	0	0	111.4	E148 D155 V165 S166	E148-A157 HydrophobicContact CB-CB 4Å; E148-A157 WeakPolarHBondContact O-CB 3.4Å; E148-A157 PolarHBondContact O-N 3.45Å; D155-A157 PolarHBondContact O-N 3.22Å; A157-V165 HydrophobicContact CB-CG1 3.76Å; A157-S166 WeakPolarHBondContact CA-O 3.47Å
158	S	95.7	Very high	96.4	Very high	59 Å²	59	49.7 Å²	49.7	41%	0.413	26%	0.261	S	S	.	.			trans	-108.8	14.2	169.2	52.6	0	0	0	0	112	H161 S166 E168	S158-H161 PolarHBondContact OG-NE2 2.91Å; S158-S166 PolarHBondContact N-O 2.97Å; S158-S166 PolarHBondContact OG-O 3.48Å; S158-E168 WeakPolarHBondContact CB-OE1 3.23Å; S158-E168 PolarHBondContact OG-N 3.22Å; S158-E168 PolarHBondContact OG-OE1 2.89Å
159	G	93.3	Very high	96.7	Very high	25 Å²	25	46 Å²	46	26%	0.258	25%	0.252	S	S	.	.	S	Bend	trans	115.8	-164.5	-176.6	0	0	0	0	0	113.1	H161 S166	G159-H161 PolarHBondContact O-CD2 2.62Å; G159-S166 PolarHBondContact O-N 2.95Å
160	R	95.9	Very high	96.8	Very high	180 Å²	180	39 Å²	39	68%	0.679	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-90.1	121.8	178.3	-170.9	179.3	-66.4	-102.9	5.7	110.6	G163 A164	R160-G163 VanDerWaalsContact CD-O 3.29Å; R160-G163 WeakPolarHBondContact CD-O 3.23Å; R160-G163 WeakPolarHBondContact CG-O 3.35Å; R160-G163 PolarHBondContact NH1-O 2.96Å; R160-A164 WeakPolarHBondContact CA-O 3.46Å
161	H	96.9	Very high	96.8	Very high	29 Å²	29	41.3 Å²	41.3	13%	0.134	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	133.6	177.3	-52.8	-75.6	0	0	0	109.8	S158 G159 G163 A164 S166 E168 K171	S158-H161 PolarHBondContact OG-NE2 2.91Å; G159-H161 PolarHBondContact O-CD2 2.62Å; H161-G163 PolarHBondContact O-N 3.5Å; H161-G163 VanDerWaalsContact O-N 3.09Å; H161-A164 PolarHBondContact N-O 2.86Å; H161-A164 PolarHBondContact O-N 3.49Å; H161-A164 VanDerWaalsContact O-O 3.13Å; H161-S166 PolarHBondContact CD2-O 3.4Å; H161-S166 PolarHBondContact CD2-OG 2.99Å; H161-E168 IonicContact CE1-OE1 3.37Å; H161-E168 IonicContact NE2-OE1 2.87Å; H161-K171 HydrophobicContact CB-CB 3.99Å; H161-K171 HydrophobicContact CB-CD 4.31Å; H161-K171 HydrophobicContact CB-CG 3.82Å; H161-K171 PolarHBondContact CE1-NZ 3.25Å; H161-K171 WeakPolarHBondContact ND1-CD 2.97Å; H161-K171 WeakPolarHBondContact ND1-CE 3.33Å
162	Y	96.7	Very high	96.8	Very high	44 Å²	44	39 Å²	39	17%	0.173	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	31.2	-179.3	-48.2	-63.3	0	0	0	113.9	K171 F174 K175 M215 K216 S219 V220	Y162-K171 HydrophobicContact CE2-CB 4.46Å; Y162-K171 HydrophobicContact CE2-CG 3.83Å; Y162-F174 AromaticContact CD2-CD1 3.71Å; Y162-F174 HydrophobicContact CD2-CD1 3.71Å; Y162-F174 HydrophobicContact CD2-CE1 4.43Å; Y162-F174 HydrophobicContact CE2-CD1 4.39Å; Y162-F174 AromaticContact CG-CD1 3.91Å; Y162-F174 HydrophobicContact CG-CD1 3.91Å; Y162-F174 HydrophobicContact CG-CE1 4.17Å; Y162-K175 HydrophobicContact CE2-CB 4.18Å; Y162-K175 WeakPolarHBondContact OH-CD 3.46Å; Y162-K175 WeakPolarHBondContact OH-CG 3.13Å; Y162-M215 CarbonylContact O-C 3.59Å; Y162-M215 WeakPolarHBondContact O-CA 3.39Å; Y162-K216 PolarHBondContact O-N 3.39Å; Y162-S219 WeakPolarHBondContact CD1-O 3.35Å; Y162-V220 HydrophobicContact CD1-CG2 3.75Å; Y162-V220 HydrophobicContact CE1-CB 4.43Å; Y162-V220 HydrophobicContact CE1-CG2 3.82Å; Y162-V220 HydrophobicContact CG-CG2 4.29Å
163	G	93.9	Very high	96.8	Very high	30 Å²	30	39.5 Å²	39.5	31%	0.309	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.6	-27.4	-176.5	0	0	0	0	0	115.4	R160 H161	R160-G163 VanDerWaalsContact CD-O 3.29Å; R160-G163 WeakPolarHBondContact CD-O 3.23Å; R160-G163 WeakPolarHBondContact CG-O 3.35Å; R160-G163 PolarHBondContact NH1-O 2.96Å; H161-G163 PolarHBondContact O-N 3.5Å; H161-G163 VanDerWaalsContact O-N 3.09Å
164	A	96.4	Very high	96.8	Very high	4 Å²	4	39.2 Å²	39.2	3%	0.033	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	141.8	-170.9	0	0	0	0	0	114.7	V151 R160 H161 S166 M213 M215	V151-A164 HydrophobicContact CG2-CB 4.31Å; R160-A164 WeakPolarHBondContact CA-O 3.46Å; H161-A164 PolarHBondContact N-O 2.86Å; H161-A164 PolarHBondContact O-N 3.49Å; H161-A164 VanDerWaalsContact O-O 3.13Å; A164-S166 PolarHBondContact O-N 3.42Å; A164-S166 PolarHBondContact O-OG 3.37Å; A164-M213 VanDerWaalsContact CB-O 3.31Å; A164-M213 WeakPolarHBondContact CB-O 3.28Å; A164-M215 HydrophobicContact CB-CE 4.24Å; A164-M215 HydrophobicContact CB-CG 3.72Å
165	V	97.3	Very high	96.8	Very high	23 Å²	23	40.7 Å²	40.7	14%	0.139	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	112.7	175.9	175	0	0	0	0	109.9	E148 V151 A157	E148-V165 HydrophobicContact CB-CG1 3.97Å; E148-V165 VanDerWaalsContact OE2-CG1 3.31Å; E148-V165 WeakPolarHBondContact OE2-CG1 3.36Å; V151-V165 WeakPolarHBondContact CG2-O 3.29Å; V151-V165 PolarHBondContact N-O 3.07Å; A157-V165 HydrophobicContact CB-CG1 3.76Å
166	S	97.8	Very high	96.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.238	C	C	.	.			trans	-153.1	162.8	-165	53.7	0	0	0	0	114.7	C150 A157 S158 G159 H161 A164 M215	C150-S166 VanDerWaalsContact SG-CA 3.57Å; A157-S166 WeakPolarHBondContact CA-O 3.47Å; S158-S166 PolarHBondContact N-O 2.97Å; S158-S166 PolarHBondContact OG-O 3.48Å; G159-S166 PolarHBondContact O-N 2.95Å; H161-S166 PolarHBondContact CD2-O 3.4Å; H161-S166 PolarHBondContact CD2-OG 2.99Å; A164-S166 PolarHBondContact O-N 3.42Å; A164-S166 PolarHBondContact O-OG 3.37Å; S166-M215 WeakPolarHBondContact OG-CE 3.47Å
167	C	98	Very high	96.8	Very high	4 Å²	4	40.7 Å²	40.7	3%	0.027	21%	0.212	C	C	.	.			trans	-89.5	157.2	174.9	67.6	0	0	0	0	111.1	C150 C153 D155 K156 G169 C170 K171 R199	C150-C167 HydrophobicContact CB-CB 3.97Å; C150-C167 PolarHBondContact SG-N 2.9Å; C150-C167 VanDerWaalsContact SG-N 3.43Å; C153-C167 VanDerWaalsContact SG-SG 3.7Å; D155-C167 HydrophobicContact CB-CB 4.31Å; K156-C167 WeakPolarHBondContact O-CB 3.17Å; C167-G169 PolarHBondContact O-N 2.87Å; C167-C170 PolarHBondContact O-N 3.23Å; C167-K171 PolarHBondContact O-N 2.75Å; C167-R199 PolarHBondContact SG-NH1 3.07Å; C167-R199 VanDerWaalsContact SG-NH1 3.39Å
168	E	97.8	Very high	96.7	Very high	100 Å²	100	42.1 Å²	42.1	47%	0.467	22%	0.219	S	C	.	.	H	α-helix	trans	-50.1	-34.2	175	-65.7	-57.1	116.9	0	0	113.1	S158 H161 C170 K171 G172	S158-E168 WeakPolarHBondContact CB-OE1 3.23Å; S158-E168 PolarHBondContact OG-N 3.22Å; S158-E168 PolarHBondContact OG-OE1 2.89Å; H161-E168 IonicContact CE1-OE1 3.37Å; H161-E168 IonicContact NE2-OE1 2.87Å; E168-C170 PolarHBondContact O-N 2.9Å; E168-K171 WeakPolarHBondContact OE1-CD 3.36Å; E168-K171 IonicContact OE1-NZ 3.23Å; E168-K171 PolarHBondContact OE1-NZ 3.21Å; E168-K171 VanDerWaalsContact OE2-CD 3.25Å; E168-K171 WeakPolarHBondContact OE2-CD 3.39Å; E168-K171 WeakPolarHBondContact OE2-CE 3.44Å; E168-K171 IonicContact OE2-NZ 3.22Å; E168-K171 PolarHBondContact OE2-NZ 2.91Å; E168-G172 PolarHBondContact O-N 3.36Å
169	G	97.7	Very high	96.5	Very high	31 Å²	31	43.5 Å²	43.5	32%	0.32	22%	0.215	S	C	.	.	H	α-helix	trans	-65.6	-33.4	177.9	0	0	0	0	0	114.6	C167 F173 R206	C167-G169 PolarHBondContact O-N 2.87Å; G169-F173 WeakPolarHBondContact O-CB 3.41Å; G169-F173 PolarHBondContact O-N 3.33Å; G169-R206 PolarHBondContact O-NH2 3.3Å
170	C	98.2	Very high	96.4	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-88.7	-40.1	176	-75.3	0	0	0	0	112	V152 C153 C167 E168 G172 F173 F174 M215	V152-C170 HydrophobicContact CB-CB 4.4Å; C153-C170 VanDerWaalsContact SG-SG 3.68Å; C167-C170 PolarHBondContact O-N 3.23Å; E168-C170 PolarHBondContact O-N 2.9Å; C170-G172 PolarHBondContact O-N 2.93Å; C170-F173 PolarHBondContact O-N 3.32Å; C170-F174 WeakPolarHBondContact O-CB 3.28Å; C170-F174 PolarHBondContact O-N 3.49Å; C170-M215 HydrophobicContact CB-CE 4.42Å
171	K	97.8	Very high	96.1	Very high	52 Å²	52	48.4 Å²	48.4	23%	0.226	24%	0.241	C	C	.	.	H	α-helix	trans	-49	-54.8	167.4	171.6	-160.5	-168.2	-179.3	0	111.8	H161 Y162 C167 E168 F173 F174 K175	H161-K171 HydrophobicContact CB-CB 3.99Å; H161-K171 HydrophobicContact CB-CD 4.31Å; H161-K171 HydrophobicContact CB-CG 3.82Å; H161-K171 PolarHBondContact CE1-NZ 3.25Å; H161-K171 WeakPolarHBondContact ND1-CD 2.97Å; H161-K171 WeakPolarHBondContact ND1-CE 3.33Å; Y162-K171 HydrophobicContact CE2-CB 4.46Å; Y162-K171 HydrophobicContact CE2-CG 3.83Å; C167-K171 PolarHBondContact O-N 2.75Å; E168-K171 WeakPolarHBondContact OE1-CD 3.36Å; E168-K171 IonicContact OE1-NZ 3.23Å; E168-K171 PolarHBondContact OE1-NZ 3.21Å; E168-K171 VanDerWaalsContact OE2-CD 3.25Å; E168-K171 WeakPolarHBondContact OE2-CD 3.39Å; E168-K171 WeakPolarHBondContact OE2-CE 3.44Å; E168-K171 IonicContact OE2-NZ 3.22Å; E168-K171 PolarHBondContact OE2-NZ 2.91Å; K171-F173 VanDerWaalsContact C-N 3.33Å; K171-F173 PolarHBondContact O-N 2.92Å; K171-F174 PolarHBondContact O-N 3.2Å; K171-K175 VanDerWaalsContact O-CB 3.32Å; K171-K175 WeakPolarHBondContact O-CB 3.45Å; K171-K175 PolarHBondContact O-N 3.45Å
172	G	97.2	Very high	95.9	Very high	17 Å²	17	50.2 Å²	50.2	18%	0.175	25%	0.252	C	S	.	.	H	α-helix	trans	-68.6	-28.5	-178.8	0	0	0	0	0	114	E168 C170 R176	E168-G172 PolarHBondContact O-N 3.36Å; C170-G172 PolarHBondContact O-N 2.93Å; G172-R176 WeakPolarHBondContact O-CG 3.46Å; G172-R176 PolarHBondContact O-N 2.65Å; G172-R176 PolarHBondContact O-NE 3.07Å; G172-R176 PolarHBondContact O-NH1 3.24Å
173	F	98.2	Very high	95.6	Very high	10 Å²	10	54.2 Å²	54.2	4%	0.044	28%	0.281	C	S	.	.	H	α-helix	trans	-69	-56.3	171.6	170.1	-97.2	0	0	0	110.8	G169 C170 K171 K175 R176 S177 Y184 Q203 R206 L207	G169-F173 WeakPolarHBondContact O-CB 3.41Å; G169-F173 PolarHBondContact O-N 3.33Å; C170-F173 PolarHBondContact O-N 3.32Å; K171-F173 VanDerWaalsContact C-N 3.33Å; K171-F173 PolarHBondContact O-N 2.92Å; F173-K175 VanDerWaalsContact C-N 3.34Å; F173-K175 PolarHBondContact O-N 2.79Å; F173-R176 PolarHBondContact O-N 3.28Å; F173-S177 PolarHBondContact O-N 3.24Å; F173-S177 PolarHBondContact O-OG 2.88Å; F173-S177 VanDerWaalsContact O-OG 3.11Å; F173-Y184 AromaticContact CE2-CE2 3.99Å; F173-Y184 HydrophobicContact CE2-CE2 3.99Å; F173-Y184 HydrophobicContact CZ-CD2 4.35Å; F173-Y184 AromaticContact CZ-CE2 3.58Å; F173-Y184 HydrophobicContact CZ-CE2 3.58Å; F173-Q203 HydrophobicContact CE2-CB 4.17Å; F173-Q203 HydrophobicContact CE2-CG 4.17Å; F173-Q203 HydrophobicContact CZ-CB 4.26Å; F173-Q203 WeakPolarHBondContact CZ-O 3.31Å; F173-R206 VanDerWaalsContact CD1-CD 3.49Å; F173-R206 HydrophobicContact CD1-CG 3.97Å; F173-R206 HydrophobicContact CE1-CB 4.03Å; F173-R206 HydrophobicContact CE1-CG 3.79Å; F173-R206 HydrophobicContact CZ-CB 4.17Å; F173-R206 HydrophobicContact CZ-CG 4.29Å; F173-L207 HydrophobicContact CE1-CB 3.92Å; F173-L207 HydrophobicContact CE1-CD1 4.21Å; F173-L207 HydrophobicContact CZ-CB 4.11Å
174	F	97.9	Very high	95.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-55.9	-46.6	-179.7	-171.7	-101	0	0	0	111.8	Y162 C170 K171 R176 S177 V178 L207 C210 L211 M215 K216 M217 V220	Y162-F174 AromaticContact CD2-CD1 3.71Å; Y162-F174 HydrophobicContact CD2-CD1 3.71Å; Y162-F174 HydrophobicContact CD2-CE1 4.43Å; Y162-F174 HydrophobicContact CE2-CD1 4.39Å; Y162-F174 AromaticContact CG-CD1 3.91Å; Y162-F174 HydrophobicContact CG-CD1 3.91Å; Y162-F174 HydrophobicContact CG-CE1 4.17Å; C170-F174 WeakPolarHBondContact O-CB 3.28Å; C170-F174 PolarHBondContact O-N 3.49Å; K171-F174 PolarHBondContact O-N 3.2Å; F174-R176 VanDerWaalsContact C-N 3.28Å; F174-R176 PolarHBondContact O-N 2.89Å; F174-S177 PolarHBondContact O-N 3.02Å; F174-S177 VanDerWaalsContact O-N 3.17Å; F174-V178 HydrophobicContact CD1-CG2 4.21Å; F174-V178 HydrophobicContact CD2-CG2 4.48Å; F174-V178 HydrophobicContact CE1-CG2 3.88Å; F174-V178 HydrophobicContact CE2-CG2 4.17Å; F174-V178 HydrophobicContact CZ-CG2 3.86Å; F174-V178 WeakPolarHBondContact O-CG2 3.24Å; F174-V178 PolarHBondContact O-N 3.19Å; F174-L207 HydrophobicContact CD2-CD1 3.89Å; F174-L207 HydrophobicContact CE2-CD1 4.21Å; F174-C210 HydrophobicContact CD2-CB 3.6Å; F174-C210 HydrophobicContact CE2-CB 4.1Å; F174-L211 HydrophobicContact CE2-CD2 3.81Å; F174-L211 HydrophobicContact CE2-CG 4.33Å; F174-L211 HydrophobicContact CZ-CD2 4.16Å; F174-M215 HydrophobicContact CB-SD 3.8Å; F174-M215 HydrophobicContact CD1-CB 4.15Å; F174-M215 HydrophobicContact CD1-SD 4.23Å; F174-M215 HydrophobicContact CD2-CB 3.9Å; F174-M215 HydrophobicContact CD2-SD 4Å; F174-M215 HydrophobicContact CE1-CB 3.87Å; F174-M215 HydrophobicContact CE2-CB 3.61Å; F174-M215 HydrophobicContact CG-CB 4.16Å; F174-M215 HydrophobicContact CG-SD 3.75Å; F174-M215 HydrophobicContact CZ-CB 3.59Å; F174-M215 WeakPolarHBondContact CZ-O 3.45Å; F174-K216 WeakPolarHBondContact CE1-O 3.48Å; F174-M217 HydrophobicContact CZ-CB 4.4Å; F174-V220 HydrophobicContact CD1-CG2 3.97Å; F174-V220 HydrophobicContact CE1-CG2 3.76Å
175	K	96.3	Very high	95.7	Very high	80 Å²	80	59.3 Å²	59.3	35%	0.348	31%	0.307	S	S	.	.	H	α-helix	trans	-53.4	-41.4	175.5	-168.4	-174.6	77	166.1	0	113	Y162 K171 F173 R179 V220	Y162-K175 HydrophobicContact CE2-CB 4.18Å; Y162-K175 WeakPolarHBondContact OH-CD 3.46Å; Y162-K175 WeakPolarHBondContact OH-CG 3.13Å; K171-K175 VanDerWaalsContact O-CB 3.32Å; K171-K175 WeakPolarHBondContact O-CB 3.45Å; K171-K175 PolarHBondContact O-N 3.45Å; F173-K175 VanDerWaalsContact C-N 3.34Å; F173-K175 PolarHBondContact O-N 2.79Å; K175-R179 WeakPolarHBondContact O-CB 3.44Å; K175-R179 WeakPolarHBondContact O-CG 3.33Å; K175-R179 PolarHBondContact O-N 2.8Å; K175-V220 HydrophobicContact CG-CG1 4.2Å
176	R	96.5	Very high	95.6	Very high	148 Å²	148	59.6 Å²	59.6	56%	0.558	31%	0.309	S	S	*	.	H	α-helix	trans	-76.2	-39.1	179.2	-73.7	-172.8	-57.8	-97.9	-0.7	112.2	G172 F173 F174 K180	G172-R176 WeakPolarHBondContact O-CG 3.46Å; G172-R176 PolarHBondContact O-N 2.65Å; G172-R176 PolarHBondContact O-NE 3.07Å; G172-R176 PolarHBondContact O-NH1 3.24Å; F173-R176 PolarHBondContact O-N 3.28Å; F174-R176 VanDerWaalsContact C-N 3.28Å; F174-R176 PolarHBondContact O-N 2.89Å; R176-K180 PolarHBondContact O-N 3Å
177	S	96.4	Very high	95.5	Very high	3 Å²	3	71.4 Å²	71.4	2%	0.021	35%	0.354	C	S	.	.	H	α-helix	trans	-62.9	-46.7	178.9	-53.9	0	0	0	0	111.3	F173 F174 N181 L182 Y184	F173-S177 PolarHBondContact O-N 3.24Å; F173-S177 PolarHBondContact O-OG 2.88Å; F173-S177 VanDerWaalsContact O-OG 3.11Å; F174-S177 PolarHBondContact O-N 3.02Å; F174-S177 VanDerWaalsContact O-N 3.17Å; S177-N181 PolarHBondContact O-N 3.2Å; S177-L182 PolarHBondContact O-N 2.79Å; S177-Y184 WeakPolarHBondContact OG-CE2 3.41Å; S177-Y184 PolarHBondContact OG-OH 3.15Å
178	V	94.9	Very high	95.3	Very high	46 Å²	46	74.6 Å²	74.6	28%	0.279	38%	0.376	S	S	.	.	H	α-helix	trans	-67.7	-51.5	178.5	178.4	0	0	0	0	111.6	F174 K180 N181 M217 V220	F174-V178 HydrophobicContact CD1-CG2 4.21Å; F174-V178 HydrophobicContact CD2-CG2 4.48Å; F174-V178 HydrophobicContact CE1-CG2 3.88Å; F174-V178 HydrophobicContact CE2-CG2 4.17Å; F174-V178 HydrophobicContact CZ-CG2 3.86Å; F174-V178 WeakPolarHBondContact O-CG2 3.24Å; F174-V178 PolarHBondContact O-N 3.19Å; V178-K180 VanDerWaalsContact C-N 3.26Å; V178-K180 PolarHBondContact O-N 2.87Å; V178-N181 PolarHBondContact O-N 2.94Å; V178-M217 HydrophobicContact CG1-CB 4.18Å; V178-M217 HydrophobicContact CG2-CB 4.13Å; V178-V220 HydrophobicContact CB-CB 4.24Å; V178-V220 HydrophobicContact CB-CG1 4.26Å; V178-V220 HydrophobicContact CB-CG2 4.04Å; V178-V220 HydrophobicContact CG1-CB 3.86Å; V178-V220 HydrophobicContact CG1-CG1 4.2Å; V178-V220 HydrophobicContact CG1-CG2 4.04Å; V178-V220 HydrophobicContact CG2-CG2 4.17Å
179	R	91.7	Very high	95.1	Very high	87 Å²	87	76.6 Å²	76.6	33%	0.328	39%	0.39	S	S	.	.	H	α-helix	trans	-63.9	-24.9	-176	-78.3	-164.1	-175.6	161.6	-0.9	115.8	K175 V220 Q221 S222 E223	K175-R179 WeakPolarHBondContact O-CB 3.44Å; K175-R179 WeakPolarHBondContact O-CG 3.33Å; K175-R179 PolarHBondContact O-N 2.8Å; R179-V220 HydrophobicContact CG-CG1 3.73Å; R179-Q221 PolarHBondContact NE-O 2.89Å; R179-Q221 PolarHBondContact NH2-O 2.99Å; R179-S222 PolarHBondContact NH2-O 3.09Å; R179-S222 VanDerWaalsContact NH2-O 3.11Å; R179-E223 VanDerWaalsContact CD-OE1 3.31Å; R179-E223 WeakPolarHBondContact CD-OE1 3.25Å; R179-E223 IonicContact CZ-OE1 2.65Å; R179-E223 IonicContact NE-OE1 3.38Å; R179-E223 IonicContact NH1-OE1 3.16Å; R179-E223 PolarHBondContact NH1-OE1 3.37Å
180	K	90.4	Very high	94.9	Very high	163 Å²	163	80 Å²	80	71%	0.709	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	14.1	177.3	-68.4	-163.3	172.1	-152.1	0	112.6	R176 V178 L182	R176-K180 PolarHBondContact O-N 3Å; V178-K180 VanDerWaalsContact C-N 3.26Å; V178-K180 PolarHBondContact O-N 2.87Å; K180-L182 HydrophobicContact CB-CD1 4.06Å; K180-L182 HydrophobicContact CB-CD2 3.86Å; K180-L182 HydrophobicContact CB-CG 3.66Å; K180-L182 WeakPolarHBondContact O-CD2 3.36Å; K180-L182 PolarHBondContact O-N 3.18Å; K180-L182 VanDerWaalsContact O-N 3.14Å
181	N	89.3	Confident	94.7	Very high	145 Å²	145	85.1 Å²	85.1	78%	0.775	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.9	47	-176.7	-158.9	20.9	0	0	0	113.5	S177 V178 T183	S177-N181 PolarHBondContact O-N 3.2Å; V178-N181 PolarHBondContact O-N 2.94Å; N181-T183 PolarHBondContact O-N 2.93Å; N181-T183 VanDerWaalsContact O-N 3.17Å
182	L	92.8	Very high	94.6	Very high	68 Å²	68	84 Å²	84	36%	0.356	42%	0.424	S	S	.	.			trans	-81.9	100	-168.1	-63.1	177.3	0	0	0	112	S177 K180 Y184	S177-L182 PolarHBondContact O-N 2.79Å; K180-L182 HydrophobicContact CB-CD1 4.06Å; K180-L182 HydrophobicContact CB-CD2 3.86Å; K180-L182 HydrophobicContact CB-CG 3.66Å; K180-L182 WeakPolarHBondContact O-CD2 3.36Å; K180-L182 PolarHBondContact O-N 3.18Å; K180-L182 VanDerWaalsContact O-N 3.14Å; L182-Y184 HydrophobicContact CB-CE1 3.97Å; L182-Y184 HydrophobicContact CB-CE2 4.47Å; L182-Y184 HydrophobicContact CD1-CE1 4.44Å; L182-Y184 WeakPolarHBondContact CD1-OH 3.31Å
183	T	92.1	Very high	94.5	Very high	128 Å²	128	90 Å²	90	79%	0.785	45%	0.45	S	S	*	.			trans	-64.1	138.4	161.7	-57	0	0	0	0	110.3	N181	N181-T183 PolarHBondContact O-N 2.93Å; N181-T183 VanDerWaalsContact O-N 3.17Å
184	Y	95.8	Very high	94.5	Very high	35 Å²	35	90.1 Å²	90.1	14%	0.137	45%	0.451	C	S	.	.			trans	-125.9	153	174	-57.7	-58.2	0	0	0	109.4	F173 S177 L182 Q203 F204 L207	F173-Y184 AromaticContact CE2-CE2 3.99Å; F173-Y184 HydrophobicContact CE2-CE2 3.99Å; F173-Y184 HydrophobicContact CZ-CD2 4.35Å; F173-Y184 AromaticContact CZ-CE2 3.58Å; F173-Y184 HydrophobicContact CZ-CE2 3.58Å; S177-Y184 WeakPolarHBondContact OG-CE2 3.41Å; S177-Y184 PolarHBondContact OG-OH 3.15Å; L182-Y184 HydrophobicContact CB-CE1 3.97Å; L182-Y184 HydrophobicContact CB-CE2 4.47Å; L182-Y184 HydrophobicContact CD1-CE1 4.44Å; L182-Y184 WeakPolarHBondContact CD1-OH 3.31Å; Y184-Q203 HydrophobicContact CD1-CB 3.69Å; Y184-Q203 HydrophobicContact CD1-CG 4.49Å; Y184-Q203 HydrophobicContact CD2-CB 3.81Å; Y184-Q203 HydrophobicContact CE1-CB 3.93Å; Y184-Q203 HydrophobicContact CE1-CG 4.4Å; Y184-Q203 HydrophobicContact CE2-CB 4.03Å; Y184-Q203 HydrophobicContact CG-CB 3.64Å; Y184-F204 WeakPolarHBondContact O-CD2 3.27Å; Y184-L207 HydrophobicContact CD2-CB 4.08Å; Y184-L207 HydrophobicContact CD2-CD2 3.84Å; Y184-L207 HydrophobicContact CE2-CB 4.22Å; Y184-L207 HydrophobicContact CE2-CD2 3.89Å
185	S	94.9	Very high	94.4	Very high	106 Å²	106	92.7 Å²	92.7	74%	0.741	47%	0.465	S	S	*	.			trans	-112.5	143.3	172	-54.2	0	0	0	0	110.9
186	C	96.9	Very high	94.4	Very high	29 Å²	29	93.7 Å²	93.7	20%	0.196	47%	0.469	C	S	.	.			trans	-79.5	150.5	168.5	-157.7	0	0	0	0	110.4	S188 Q190 C192 C202 F204	C186-S188 PolarHBondContact SG-O 3.49Å; C186-Q190 HydrophobicContact CB-CG 4Å; C186-C192 VanDerWaalsContact SG-SG 3.69Å; C186-C202 VanDerWaalsContact SG-SG 3.69Å; C186-F204 HydrophobicContact CB-CB 4.36Å; C186-F204 HydrophobicContact CB-CD1 3.78Å; C186-F204 HydrophobicContact CB-CE1 4.45Å; C186-F204 HydrophobicContact CB-CG 4.22Å
187	R	94.6	Very high	94.3	Very high	248 Å²	248	93.5 Å²	93.5	94%	0.936	47%	0.474	S	S	*	.	S	Bend	trans	-107.9	22.7	171.6	-59	-176.4	-178	-177.2	-1.3	111.3
188	S	93.2	Very high	94.1	Very high	71 Å²	71	98.7 Å²	98.7	50%	0.497	50%	0.498	S	S	.	.	S	Bend	trans	-164	-172.5	-170.2	-49.3	0	0	0	0	108.4	C186 Q190	C186-S188 PolarHBondContact SG-O 3.49Å; S188-Q190 PolarHBondContact O-N 3.29Å
189	N	93.4	Very high	94.2	Very high	142 Å²	142	98.4 Å²	98.4	76%	0.759	49%	0.492	S	S	*	.	S	Bend	trans	-78.3	32.3	-167.1	-58.8	-8.8	0	0	0	115.1	D191	N189-D191 PolarHBondContact N-OD1 3.49Å; N189-D191 PolarHBondContact O-N 3Å; N189-D191 VanDerWaalsContact O-N 3.17Å
190	Q	93.7	Very high	94.4	Very high	103 Å²	103	100.1 Å²	100.1	48%	0.481	51%	0.508	S	S	.	.	S	Bend	trans	58.4	25	178	-61	-164.6	20.4	0	0	115.5	C186 S188 F204 C205 K208	C186-Q190 HydrophobicContact CB-CG 4Å; S188-Q190 PolarHBondContact O-N 3.29Å; Q190-F204 HydrophobicContact CB-CD1 4.48Å; Q190-F204 HydrophobicContact CB-CE1 3.78Å; Q190-F204 HydrophobicContact CG-CD1 4.27Å; Q190-F204 HydrophobicContact CG-CE1 3.58Å; Q190-F204 HydrophobicContact CG-CZ 4.21Å; Q190-F204 VanDerWaalsContact OE1-CZ 3.29Å; Q190-C205 VanDerWaalsContact C-SG 3.58Å; Q190-K208 PolarHBondContact O-NZ 3.16Å
191	D	95.2	Very high	94.6	Very high	106 Å²	106	103.2 Å²	103.2	57%	0.567	52%	0.515	S	S	*	.			trans	-127.1	1.1	-165.5	61.1	-17.7	0	0	0	113.7	N189 I193	N189-D191 PolarHBondContact N-OD1 3.49Å; N189-D191 PolarHBondContact O-N 3Å; N189-D191 VanDerWaalsContact O-N 3.17Å; D191-I193 PolarHBondContact O-N 3.42Å
192	C	96.2	Very high	95	Very high	30 Å²	30	97 Å²	97	20%	0.203	48%	0.483	C	S	.	.			trans	-56.3	125.7	-168.7	-51.9	0	0	0	0	113.8	C186 I194 C202 C205	C186-C192 VanDerWaalsContact SG-SG 3.69Å; C192-I194 WeakPolarHBondContact O-CD1 3.47Å; C192-I194 WeakPolarHBondContact O-CG1 3.16Å; C192-I194 PolarHBondContact O-N 3.1Å; C192-C202 HydrophobicContact CB-CB 3.94Å; C192-C205 HydrophobicContact CB-CB 3.89Å; C192-C205 PolarHBondContact N-SG 3.16Å; C192-C205 VanDerWaalsContact SG-SG 3.64Å
193	I	95.1	Very high	95.3	Very high	143 Å²	143	99 Å²	99	73%	0.733	49%	0.49	S	S	*	.			trans	-59.5	117	-177.4	-58.2	175.4	0	0	0	111.9	D191	D191-I193 PolarHBondContact O-N 3.42Å
194	I	97.6	Very high	95.5	Very high	11 Å²	11	95.3 Å²	95.3	6%	0.056	46%	0.463	C	S	.	.			trans	-97.6	104.3	177.5	-53.7	-55.9	0	0	0	110.4	V152 C153 C192 R199 C205 R206 K209	V152-I194 HydrophobicContact CG1-CG2 4.17Å; V152-I194 WeakPolarHBondContact O-CG2 3.48Å; C153-I194 HydrophobicContact CB-CG2 3.99Å; C192-I194 WeakPolarHBondContact O-CD1 3.47Å; C192-I194 WeakPolarHBondContact O-CG1 3.16Å; C192-I194 PolarHBondContact O-N 3.1Å; I194-R199 HydrophobicContact CG2-CB 3.87Å; I194-C205 HydrophobicContact CD1-CB 4.06Å; I194-C205 HydrophobicContact CG1-CB 4.44Å; I194-R206 HydrophobicContact CD1-CB 4Å; I194-R206 HydrophobicContact CG1-CB 4.47Å; I194-R206 HydrophobicContact CG2-CG 4.27Å; I194-K209 HydrophobicContact CB-CD 3.99Å; I194-K209 HydrophobicContact CG1-CD 4.26Å
195	N	96.3	Very high	95.6	Very high	55 Å²	55	94 Å²	94	29%	0.294	46%	0.459	S	S	.	.			trans	-127.4	175.5	173.7	75.6	22.1	0	0	0	111.6	C153 H197 H198 R199	C153-N195 CarbonylContact O-C 3.28Å; C153-N195 VanDerWaalsContact O-C 3.28Å; C153-N195 WeakPolarHBondContact O-CA 3.02Å; N195-H197 PolarHBondContact O-N 3.33Å; N195-H197 VanDerWaalsContact O-N 3.13Å; N195-H197 PolarHBondContact OD1-N 3.06Å; N195-H198 PolarHBondContact O-N 2.92Å; N195-H198 PolarHBondContact OD1-N 2.89Å; N195-R199 WeakPolarHBondContact O-CB 3.39Å; N195-R199 WeakPolarHBondContact O-CG 3.17Å; N195-R199 PolarHBondContact O-N 3.17Å
196	K	95.5	Very high	95.8	Very high	100 Å²	100	89.5 Å²	89.5	44%	0.435	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-38.7	-176.8	178.1	171.3	-179.2	149.5	0	114.3	C153 D155 R199	C153-K196 PolarHBondContact O-N 3.49Å; D155-K196 HydrophobicContact CB-CB 4.27Å; D155-K196 HydrophobicContact CB-CD 4.18Å; D155-K196 HydrophobicContact CB-CG 4.1Å; D155-K196 WeakPolarHBondContact OD1-CD 3.33Å; D155-K196 WeakPolarHBondContact OD1-CE 3.28Å; D155-K196 IonicContact OD1-NZ 2.62Å; D155-K196 PolarHBondContact OD1-NZ 3.08Å; K196-R199 PolarHBondContact O-NE 3.24Å; K196-R199 VanDerWaalsContact O-NE 3.1Å
197	H	94.4	Very high	95.8	Very high	145 Å²	145	89.7 Å²	89.7	67%	0.671	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-37.9	-173.8	-58.4	-92.3	0	0	0	112.2	N195	N195-H197 PolarHBondContact O-N 3.33Å; N195-H197 VanDerWaalsContact O-N 3.13Å; N195-H197 PolarHBondContact OD1-N 3.06Å
198	H	92.7	Very high	96	Very high	112 Å²	112	81.3 Å²	81.3	52%	0.519	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	2.1	-171.6	-50.8	-41.3	0	0	0	114.3	N195 N200 R201	N195-H198 PolarHBondContact O-N 2.92Å; N195-H198 PolarHBondContact OD1-N 2.89Å; H198-N200 PolarHBondContact O-N 3.43Å; H198-R201 HydrophobicContact CB-CB 4.5Å; H198-R201 WeakPolarHBondContact O-CB 3.48Å; H198-R201 PolarHBondContact O-N 3.49Å
199	R	95.8	Very high	96.2	Very high	40 Å²	40	80.6 Å²	80.6	15%	0.151	38%	0.383	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-15	172.1	58.9	-174.7	175.7	-168	-6.2	115.4	C153 D155 C167 I194 N195 K196 R206	C153-R199 HydrophobicContact CB-CB 4.3Å; C153-R199 PolarHBondContact SG-NH1 3.1Å; D155-R199 VanDerWaalsContact CB-NH1 3.33Å; D155-R199 IonicContact OD2-CZ 3.71Å; D155-R199 IonicContact OD2-NH1 2.62Å; D155-R199 PolarHBondContact OD2-NH1 3.49Å; D155-R199 IonicContact OD2-NH2 3.54Å; D155-R199 PolarHBondContact OD2-NH2 2.61Å; C167-R199 PolarHBondContact SG-NH1 3.07Å; C167-R199 VanDerWaalsContact SG-NH1 3.39Å; I194-R199 HydrophobicContact CG2-CB 3.87Å; N195-R199 WeakPolarHBondContact O-CB 3.39Å; N195-R199 WeakPolarHBondContact O-CG 3.17Å; N195-R199 PolarHBondContact O-N 3.17Å; K196-R199 PolarHBondContact O-NE 3.24Å; K196-R199 VanDerWaalsContact O-NE 3.1Å; R199-R206 VanDerWaalsContact O-CD 3.3Å; R199-R206 WeakPolarHBondContact O-CD 3.35Å; R199-R206 PolarHBondContact O-NH1 2.87Å
200	N	95.8	Very high	96.4	Very high	123 Å²	123	73.9 Å²	73.9	66%	0.658	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-8.8	174.9	-65.5	-4.7	0	0	0	113.5	H198 R206	H198-N200 PolarHBondContact O-N 3.43Å; N200-R206 PolarHBondContact OD1-NH1 2.9Å
201	R	96.1	Very high	96.6	Very high	228 Å²	228	73.1 Å²	73.1	86%	0.86	35%	0.346	S	S	*	.	S	Bend	trans	-71.8	-33.3	-174.4	-178.3	61	165.2	-171	-4.8	113.7	H198	H198-R201 HydrophobicContact CB-CB 4.5Å; H198-R201 WeakPolarHBondContact O-CB 3.48Å; H198-R201 PolarHBondContact O-N 3.49Å
202	C	97.4	Very high	96.7	Very high	15 Å²	15	73.5 Å²	73.5	10%	0.101	34%	0.344	C	S	.	.			trans	-139.7	115	175.1	-174	0	0	0	0	110.1	C186 C192 C205 R206	C186-C202 VanDerWaalsContact SG-SG 3.69Å; C192-C202 HydrophobicContact CB-CB 3.94Å; C202-C205 HydrophobicContact CB-CB 4.24Å; C202-R206 WeakPolarHBondContact O-CB 3.35Å; C202-R206 PolarHBondContact O-N 3.07Å
203	Q	97.6	Very high	96.7	Very high	109 Å²	109	75.8 Å²	75.8	51%	0.509	35%	0.353	S	S	.	.	H	α-helix	trans	-72.6	-37.6	179.2	-67.4	166.8	-50.6	0	0	111.7	F173 Y184 R206 L207	F173-Q203 HydrophobicContact CE2-CB 4.17Å; F173-Q203 HydrophobicContact CE2-CG 4.17Å; F173-Q203 HydrophobicContact CZ-CB 4.26Å; F173-Q203 WeakPolarHBondContact CZ-O 3.31Å; Y184-Q203 HydrophobicContact CD1-CB 3.69Å; Y184-Q203 HydrophobicContact CD1-CG 4.49Å; Y184-Q203 HydrophobicContact CD2-CB 3.81Å; Y184-Q203 HydrophobicContact CE1-CB 3.93Å; Y184-Q203 HydrophobicContact CE1-CG 4.4Å; Y184-Q203 HydrophobicContact CE2-CB 4.03Å; Y184-Q203 HydrophobicContact CG-CB 3.64Å; Q203-R206 PolarHBondContact O-N 2.88Å; Q203-L207 PolarHBondContact O-N 3.4Å
204	F	98.1	Very high	96.7	Very high	51 Å²	51	70.8 Å²	70.8	22%	0.224	34%	0.336	C	S	.	.	H	α-helix	trans	-57.4	-59	176.5	176.9	-94.3	0	0	0	112.1	Y184 C186 Q190 R206 L207 K208	Y184-F204 WeakPolarHBondContact O-CD2 3.27Å; C186-F204 HydrophobicContact CB-CB 4.36Å; C186-F204 HydrophobicContact CB-CD1 3.78Å; C186-F204 HydrophobicContact CB-CE1 4.45Å; C186-F204 HydrophobicContact CB-CG 4.22Å; Q190-F204 HydrophobicContact CB-CD1 4.48Å; Q190-F204 HydrophobicContact CB-CE1 3.78Å; Q190-F204 HydrophobicContact CG-CD1 4.27Å; Q190-F204 HydrophobicContact CG-CE1 3.58Å; Q190-F204 HydrophobicContact CG-CZ 4.21Å; Q190-F204 VanDerWaalsContact OE1-CZ 3.29Å; F204-R206 PolarHBondContact O-N 3.49Å; F204-L207 PolarHBondContact O-N 2.98Å; F204-K208 HydrophobicContact CE1-CD 3.98Å; F204-K208 HydrophobicContact CZ-CD 4.43Å; F204-K208 WeakPolarHBondContact O-CB 3.45Å; F204-K208 PolarHBondContact O-N 3.49Å
205	C	97.9	Very high	96.7	Very high	7 Å²	7	70.5 Å²	70.5	5%	0.047	34%	0.335	C	S	.	.	H	α-helix	trans	-61.5	-29	-179	-59.7	0	0	0	0	112.2	Q190 C192 I194 C202 K209	Q190-C205 VanDerWaalsContact C-SG 3.58Å; C192-C205 HydrophobicContact CB-CB 3.89Å; C192-C205 PolarHBondContact N-SG 3.16Å; C192-C205 VanDerWaalsContact SG-SG 3.64Å; I194-C205 HydrophobicContact CD1-CB 4.06Å; I194-C205 HydrophobicContact CG1-CB 4.44Å; C202-C205 HydrophobicContact CB-CB 4.24Å; C205-K209 VanDerWaalsContact O-CB 3.25Å; C205-K209 WeakPolarHBondContact O-CB 3.22Å; C205-K209 PolarHBondContact O-N 3.26Å
206	R	98.1	Very high	96.7	Very high	12 Å²	12	72.9 Å²	72.9	5%	0.045	34%	0.343	C	S	.	.	H	α-helix	trans	-70.5	-42.5	172.7	-169	-166.8	-169.5	148.8	-10.7	112.7	G169 F173 I194 R199 N200 C202 Q203 F204 K209 C210	G169-R206 PolarHBondContact O-NH2 3.3Å; F173-R206 VanDerWaalsContact CD1-CD 3.49Å; F173-R206 HydrophobicContact CD1-CG 3.97Å; F173-R206 HydrophobicContact CE1-CB 4.03Å; F173-R206 HydrophobicContact CE1-CG 3.79Å; F173-R206 HydrophobicContact CZ-CB 4.17Å; F173-R206 HydrophobicContact CZ-CG 4.29Å; I194-R206 HydrophobicContact CD1-CB 4Å; I194-R206 HydrophobicContact CG1-CB 4.47Å; I194-R206 HydrophobicContact CG2-CG 4.27Å; R199-R206 VanDerWaalsContact O-CD 3.3Å; R199-R206 WeakPolarHBondContact O-CD 3.35Å; R199-R206 PolarHBondContact O-NH1 2.87Å; N200-R206 PolarHBondContact OD1-NH1 2.9Å; C202-R206 WeakPolarHBondContact O-CB 3.35Å; C202-R206 PolarHBondContact O-N 3.07Å; Q203-R206 PolarHBondContact O-N 2.88Å; F204-R206 PolarHBondContact O-N 3.49Å; R206-K209 PolarHBondContact O-N 3.34Å; R206-C210 PolarHBondContact O-N 3.3Å; R206-C210 PolarHBondContact O-SG 3.07Å
207	L	97.9	Very high	96.6	Very high	33 Å²	33	74.1 Å²	74.1	17%	0.173	35%	0.351	C	S	.	.	H	α-helix	trans	-68.8	-46.2	178.5	-175.4	61.4	0	0	0	111	F173 F174 Y184 Q203 F204 K209 C210 L211	F173-L207 HydrophobicContact CE1-CB 3.92Å; F173-L207 HydrophobicContact CE1-CD1 4.21Å; F173-L207 HydrophobicContact CZ-CB 4.11Å; F174-L207 HydrophobicContact CD2-CD1 3.89Å; F174-L207 HydrophobicContact CE2-CD1 4.21Å; Y184-L207 HydrophobicContact CD2-CB 4.08Å; Y184-L207 HydrophobicContact CD2-CD2 3.84Å; Y184-L207 HydrophobicContact CE2-CB 4.22Å; Y184-L207 HydrophobicContact CE2-CD2 3.89Å; Q203-L207 PolarHBondContact O-N 3.4Å; F204-L207 PolarHBondContact O-N 2.98Å; L207-K209 VanDerWaalsContact C-N 3.34Å; L207-K209 PolarHBondContact O-N 3.33Å; L207-C210 WeakPolarHBondContact O-CB 3.32Å; L207-C210 PolarHBondContact O-N 3.41Å; L207-L211 PolarHBondContact O-N 3.2Å; L207-L211 VanDerWaalsContact O-N 3.08Å
208	K	97.6	Very high	96.4	Very high	72 Å²	72	73.1 Å²	73.1	31%	0.313	35%	0.347	S	S	.	.	H	α-helix	trans	-48.9	-54.2	169.4	175.3	175	171.7	-176.5	0	110.7	Q190 F204 C210 L211 E212	Q190-K208 PolarHBondContact O-NZ 3.16Å; F204-K208 HydrophobicContact CE1-CD 3.98Å; F204-K208 HydrophobicContact CZ-CD 4.43Å; F204-K208 WeakPolarHBondContact O-CB 3.45Å; F204-K208 PolarHBondContact O-N 3.49Å; K208-C210 VanDerWaalsContact C-N 3.33Å; K208-C210 PolarHBondContact O-N 2.93Å; K208-L211 WeakPolarHBondContact O-CB 3.48Å; K208-L211 PolarHBondContact O-N 3.28Å; K208-L211 VanDerWaalsContact O-N 3.1Å; K208-E212 WeakPolarHBondContact CE-OE1 3.42Å; K208-E212 HydrophobicContact CG-CG 4.38Å; K208-E212 VanDerWaalsContact CG-OE1 3.23Å; K208-E212 WeakPolarHBondContact CG-OE1 3.39Å; K208-E212 WeakPolarHBondContact O-CG 3.27Å; K208-E212 PolarHBondContact O-N 3.31Å
209	K	97.8	Very high	96.3	Very high	56 Å²	56	70.3 Å²	70.3	24%	0.243	34%	0.34	C	S	.	.	H	α-helix	trans	-67.1	-25.3	177.7	-164.3	177.6	178.5	-164.5	0	114.7	V152 I194 C205 R206 L207 E212 M213	V152-K209 HydrophobicContact CG1-CB 4.45Å; V152-K209 HydrophobicContact CG1-CG 4.4Å; V152-K209 WeakPolarHBondContact O-CD 3.36Å; V152-K209 VanDerWaalsContact O-CE 3.27Å; V152-K209 WeakPolarHBondContact O-CE 3.38Å; V152-K209 PolarHBondContact O-NZ 2.91Å; I194-K209 HydrophobicContact CB-CD 3.99Å; I194-K209 HydrophobicContact CG1-CD 4.26Å; C205-K209 VanDerWaalsContact O-CB 3.25Å; C205-K209 WeakPolarHBondContact O-CB 3.22Å; C205-K209 PolarHBondContact O-N 3.26Å; R206-K209 PolarHBondContact O-N 3.34Å; L207-K209 VanDerWaalsContact C-N 3.34Å; L207-K209 PolarHBondContact O-N 3.33Å; K209-E212 WeakPolarHBondContact CA-OE2 3.44Å; K209-M213 HydrophobicContact CG-CG 3.97Å; K209-M213 VanDerWaalsContact O-CB 3.25Å; K209-M213 WeakPolarHBondContact O-CB 3.25Å; K209-M213 WeakPolarHBondContact O-CG 3.49Å; K209-M213 PolarHBondContact O-N 3.03Å
210	C	98	Very high	96	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-64	-46.6	169.2	-74.3	0	0	0	0	111	F174 R206 L207 K208 M213 G214 M215	F174-C210 HydrophobicContact CD2-CB 3.6Å; F174-C210 HydrophobicContact CE2-CB 4.1Å; R206-C210 PolarHBondContact O-N 3.3Å; R206-C210 PolarHBondContact O-SG 3.07Å; L207-C210 WeakPolarHBondContact O-CB 3.32Å; L207-C210 PolarHBondContact O-N 3.41Å; K208-C210 VanDerWaalsContact C-N 3.33Å; K208-C210 PolarHBondContact O-N 2.93Å; C210-M213 PolarHBondContact O-N 2.91Å; C210-G214 PolarHBondContact O-N 3.45Å; C210-M215 HydrophobicContact CB-CB 4.18Å; C210-M215 HydrophobicContact CB-CG 4.19Å; C210-M215 HydrophobicContact CB-SD 3.71Å; C210-M215 VanDerWaalsContact O-CB 3.22Å; C210-M215 WeakPolarHBondContact O-CB 3.44Å; C210-M215 WeakPolarHBondContact O-CG 3.37Å; C210-M215 PolarHBondContact O-N 2.89Å
211	L	97.3	Very high	95.5	Very high	88 Å²	88	69.1 Å²	69.1	46%	0.461	33%	0.333	S	S	.	.	H	α-helix	trans	-66.2	-48.8	179.8	-63.6	166	0	0	0	111.4	F174 L207 K208 M213 G214	F174-L211 HydrophobicContact CE2-CD2 3.81Å; F174-L211 HydrophobicContact CE2-CG 4.33Å; F174-L211 HydrophobicContact CZ-CD2 4.16Å; L207-L211 PolarHBondContact O-N 3.2Å; L207-L211 VanDerWaalsContact O-N 3.08Å; K208-L211 WeakPolarHBondContact O-CB 3.48Å; K208-L211 PolarHBondContact O-N 3.28Å; K208-L211 VanDerWaalsContact O-N 3.1Å; L211-M213 PolarHBondContact O-N 3.35Å; L211-G214 PolarHBondContact O-N 2.89Å
212	E	97.3	Very high	94.5	Very high	114 Å²	114	63 Å²	63	53%	0.533	33%	0.326	S	S	.	.	H	α-helix	trans	-55.8	-35.1	176.3	-69.6	166.6	165.6	0	0	112.7	K208 K209 G214	K208-E212 WeakPolarHBondContact CE-OE1 3.42Å; K208-E212 HydrophobicContact CG-CG 4.38Å; K208-E212 VanDerWaalsContact CG-OE1 3.23Å; K208-E212 WeakPolarHBondContact CG-OE1 3.39Å; K208-E212 WeakPolarHBondContact O-CG 3.27Å; K208-E212 PolarHBondContact O-N 3.31Å; K209-E212 WeakPolarHBondContact CA-OE2 3.44Å; E212-G214 VanDerWaalsContact C-N 3.26Å; E212-G214 PolarHBondContact O-N 2.7Å
213	M	97.1	Very high	93.2	Very high	78 Å²	78	69.5 Å²	69.5	38%	0.384	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	15.2	178	-59.8	-73.5	118.5	0	0	113.4	V151 V152 A164 K209 C210 L211	V151-M213 HydrophobicContact CB-CB 4.37Å; V151-M213 HydrophobicContact CB-CG 4.41Å; V151-M213 HydrophobicContact CB-SD 4.11Å; V151-M213 HydrophobicContact CG2-CB 3.62Å; V151-M213 HydrophobicContact CG2-CG 4.11Å; V151-M213 HydrophobicContact CG2-SD 4.39Å; V152-M213 HydrophobicContact CG2-CB 4.24Å; V152-M213 HydrophobicContact CG2-CG 4.4Å; A164-M213 VanDerWaalsContact CB-O 3.31Å; A164-M213 WeakPolarHBondContact CB-O 3.28Å; K209-M213 HydrophobicContact CG-CG 3.97Å; K209-M213 VanDerWaalsContact O-CB 3.25Å; K209-M213 WeakPolarHBondContact O-CB 3.25Å; K209-M213 WeakPolarHBondContact O-CG 3.49Å; K209-M213 PolarHBondContact O-N 3.03Å; C210-M213 PolarHBondContact O-N 2.91Å; L211-M213 PolarHBondContact O-N 3.35Å
214	G	95.3	Very high	92.2	Very high	37 Å²	37	73.7 Å²	73.7	38%	0.381	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	25.3	172.1	0	0	0	0	0	115.8	C210 L211 E212 K216	C210-G214 PolarHBondContact O-N 3.45Å; L211-G214 PolarHBondContact O-N 2.89Å; E212-G214 VanDerWaalsContact C-N 3.26Å; E212-G214 PolarHBondContact O-N 2.7Å; G214-K216 PolarHBondContact O-N 3.04Å
215	M	97.8	Very high	90	Very high	5 Å²	5	80.8 Å²	80.8	3%	0.025	40%	0.396	C	S	.	.			trans	-77.1	119	166.4	-67.4	-167	166.5	0	0	111.1	V152 Y162 A164 S166 C170 F174 C210	V152-M215 HydrophobicContact CG2-CE 4.3Å; Y162-M215 CarbonylContact O-C 3.59Å; Y162-M215 WeakPolarHBondContact O-CA 3.39Å; A164-M215 HydrophobicContact CB-CE 4.24Å; A164-M215 HydrophobicContact CB-CG 3.72Å; S166-M215 WeakPolarHBondContact OG-CE 3.47Å; C170-M215 HydrophobicContact CB-CE 4.42Å; F174-M215 HydrophobicContact CB-SD 3.8Å; F174-M215 HydrophobicContact CD1-CB 4.15Å; F174-M215 HydrophobicContact CD1-SD 4.23Å; F174-M215 HydrophobicContact CD2-CB 3.9Å; F174-M215 HydrophobicContact CD2-SD 4Å; F174-M215 HydrophobicContact CE1-CB 3.87Å; F174-M215 HydrophobicContact CE2-CB 3.61Å; F174-M215 HydrophobicContact CG-CB 4.16Å; F174-M215 HydrophobicContact CG-SD 3.75Å; F174-M215 HydrophobicContact CZ-CB 3.59Å; F174-M215 WeakPolarHBondContact CZ-O 3.45Å; C210-M215 HydrophobicContact CB-CB 4.18Å; C210-M215 HydrophobicContact CB-CG 4.19Å; C210-M215 HydrophobicContact CB-SD 3.71Å; C210-M215 VanDerWaalsContact O-CB 3.22Å; C210-M215 WeakPolarHBondContact O-CB 3.44Å; C210-M215 WeakPolarHBondContact O-CG 3.37Å; C210-M215 PolarHBondContact O-N 2.89Å
216	K	95.3	Very high	88.1	Confident	106 Å²	106	86.3 Å²	86.3	46%	0.461	43%	0.432	S	S	.	.			trans	-90.3	118.3	-175.7	-82.4	174.6	158.8	-80.9	0	111.7	Y162 F174 G214 E218 S219	Y162-K216 PolarHBondContact O-N 3.39Å; F174-K216 WeakPolarHBondContact CE1-O 3.48Å; G214-K216 PolarHBondContact O-N 3.04Å; K216-E218 VanDerWaalsContact C-N 3.32Å; K216-E218 VanDerWaalsContact C-OE2 3.3Å; K216-E218 WeakPolarHBondContact CA-OE2 3.32Å; K216-E218 WeakPolarHBondContact CB-OE1 3.49Å; K216-E218 VanDerWaalsContact CB-OE2 3.27Å; K216-E218 WeakPolarHBondContact CB-OE2 3.28Å; K216-E218 VanDerWaalsContact CD-OE1 3.28Å; K216-E218 WeakPolarHBondContact CD-OE1 3.4Å; K216-E218 WeakPolarHBondContact CE-OE1 3.49Å; K216-E218 VanDerWaalsContact CG-OE1 3.23Å; K216-E218 WeakPolarHBondContact CG-OE1 3.36Å; K216-E218 IonicContact NZ-OE1 2.69Å; K216-E218 PolarHBondContact NZ-OE1 3.44Å; K216-E218 PolarHBondContact O-N 2.9Å; K216-S219 WeakPolarHBondContact CB-OG 3.47Å; K216-S219 WeakPolarHBondContact O-CB 3.34Å; K216-S219 PolarHBondContact O-N 3.34Å
217	M	93.3	Very high	85.6	Confident	126 Å²	126	94.6 Å²	94.6	62%	0.621	47%	0.469	S	S	*	.	G	3₁₀ helix	trans	-65.5	-36.3	179.9	62.7	-172.1	-178.7	0	0	112	F174 V178 S219 V220	F174-M217 HydrophobicContact CZ-CB 4.4Å; V178-M217 HydrophobicContact CG1-CB 4.18Å; V178-M217 HydrophobicContact CG2-CB 4.13Å; M217-S219 PolarHBondContact O-N 2.96Å; M217-S219 VanDerWaalsContact O-N 3.15Å; M217-V220 WeakPolarHBondContact O-CB 3.18Å; M217-V220 PolarHBondContact O-N 3.26Å
218	E	90.8	Very high	83.2	Confident	124 Å²	124	100 Å²	100	58%	0.579	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-64.8	-14.9	175.5	74.8	-79.6	-164.6	0	0	113.4	K216 V220	K216-E218 VanDerWaalsContact C-N 3.32Å; K216-E218 VanDerWaalsContact C-OE2 3.3Å; K216-E218 WeakPolarHBondContact CA-OE2 3.32Å; K216-E218 WeakPolarHBondContact CB-OE1 3.49Å; K216-E218 VanDerWaalsContact CB-OE2 3.27Å; K216-E218 WeakPolarHBondContact CB-OE2 3.28Å; K216-E218 VanDerWaalsContact CD-OE1 3.28Å; K216-E218 WeakPolarHBondContact CD-OE1 3.4Å; K216-E218 WeakPolarHBondContact CE-OE1 3.49Å; K216-E218 VanDerWaalsContact CG-OE1 3.23Å; K216-E218 WeakPolarHBondContact CG-OE1 3.36Å; K216-E218 IonicContact NZ-OE1 2.69Å; K216-E218 PolarHBondContact NZ-OE1 3.44Å; K216-E218 PolarHBondContact O-N 2.9Å; E218-V220 VanDerWaalsContact C-N 3.28Å
219	S	89.8	Confident	80.9	Confident	53 Å²	53	101.6 Å²	101.6	37%	0.371	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-81.8	-2.1	172.3	-60.6	0	0	0	0	113.5	Y162 K216 M217 Q221	Y162-S219 WeakPolarHBondContact CD1-O 3.35Å; K216-S219 WeakPolarHBondContact CB-OG 3.47Å; K216-S219 WeakPolarHBondContact O-CB 3.34Å; K216-S219 PolarHBondContact O-N 3.34Å; M217-S219 PolarHBondContact O-N 2.96Å; M217-S219 VanDerWaalsContact O-N 3.15Å; S219-Q221 PolarHBondContact O-N 3.43Å
220	V	90.1	Very high	78.2	Confident	18 Å²	18	107.6 Å²	107.6	11%	0.109	54%	0.542	C	S	.	.			trans	-95.4	87.7	179.9	-172.6	0	0	0	0	110	Y162 F174 K175 V178 R179 M217 E218	Y162-V220 HydrophobicContact CD1-CG2 3.75Å; Y162-V220 HydrophobicContact CE1-CB 4.43Å; Y162-V220 HydrophobicContact CE1-CG2 3.82Å; Y162-V220 HydrophobicContact CG-CG2 4.29Å; F174-V220 HydrophobicContact CD1-CG2 3.97Å; F174-V220 HydrophobicContact CE1-CG2 3.76Å; K175-V220 HydrophobicContact CG-CG1 4.2Å; V178-V220 HydrophobicContact CB-CB 4.24Å; V178-V220 HydrophobicContact CB-CG1 4.26Å; V178-V220 HydrophobicContact CB-CG2 4.04Å; V178-V220 HydrophobicContact CG1-CB 3.86Å; V178-V220 HydrophobicContact CG1-CG1 4.2Å; V178-V220 HydrophobicContact CG1-CG2 4.04Å; V178-V220 HydrophobicContact CG2-CG2 4.17Å; R179-V220 HydrophobicContact CG-CG1 3.73Å; M217-V220 WeakPolarHBondContact O-CB 3.18Å; M217-V220 PolarHBondContact O-N 3.26Å; E218-V220 VanDerWaalsContact C-N 3.28Å
221	Q	84.9	Confident	75.7	Confident	120 Å²	120	118.6 Å²	118.6	56%	0.561	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-51.4	148.8	172.2	-65.1	-177.9	-18.9	0	0	112	R179 S219	R179-Q221 PolarHBondContact NE-O 2.89Å; R179-Q221 PolarHBondContact NH2-O 2.99Å; S219-Q221 PolarHBondContact O-N 3.43Å
222	S	74.3	Confident	73.5	Confident	100 Å²	100	123.1 Å²	123.1	70%	0.699	60%	0.603	S	S	*	*	P	Polyproline II helix	trans	-56.3	172.2	171.5	-49.5	0	0	0	0	113.2	R179 R224	R179-S222 PolarHBondContact NH2-O 3.09Å; R179-S222 VanDerWaalsContact NH2-O 3.11Å; S222-R224 PolarHBondContact O-N 2.93Å
223	E	71.6	Confident	70.8	Confident	151 Å²	151	127 Å²	127	71%	0.706	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-63.7	134.2	174.4	-56.4	-96.9	106.3	0	0	109.5	R179	R179-E223 VanDerWaalsContact CD-OE1 3.31Å; R179-E223 WeakPolarHBondContact CD-OE1 3.25Å; R179-E223 IonicContact CZ-OE1 2.65Å; R179-E223 IonicContact NE-OE1 3.38Å; R179-E223 IonicContact NH1-OE1 3.16Å; R179-E223 PolarHBondContact NH1-OE1 3.37Å
224	R	76.3	Confident	68.3	Low	197 Å²	197	128.4 Å²	128.4	74%	0.743	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-87.7	136.6	168.8	-61	-178.3	-172.7	-179.6	1	106.8	S222	S222-R224 PolarHBondContact O-N 2.93Å
225	K	51	Low	66.2	Low	200 Å²	200	132.1 Å²	132.1	87%	0.87	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-48.9	136.2	171.5	-68.3	-172	177.7	-175	0	108.8	F227	K225-F227 PolarHBondContact O-N 2.84Å
226	P	58.9	Low	64.3	Low	122 Å²	122	139.1 Å²	139.1	79%	0.792	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-50.7	129.1	172.3	-26.2	35	0	0	0	109.2	D228	P226-D228 PolarHBondContact O-N 3.43Å
227	F	44.8	Very low	61.7	Low	186 Å²	186	139.7 Å²	139.7	82%	0.816	71%	0.706	S	S	*	*			trans	-76.2	99.1	175.8	-159.3	-78.7	0	0	0	106.6	K225 V229	K225-F227 PolarHBondContact O-N 2.84Å; F227-V229 HydrophobicContact CD1-CG2 3.81Å; F227-V229 HydrophobicContact CE1-CG2 4.43Å; F227-V229 PolarHBondContact O-N 2.94Å
228	D	48.4	Very low	59.3	Low	146 Å²	146	138.1 Å²	138.1	78%	0.781	71%	0.713	S	S	*	*			trans	-75	80.8	-175.6	-151.2	3.3	0	0	0	108.9	P226 Q230	P226-D228 PolarHBondContact O-N 3.43Å; D228-Q230 PolarHBondContact O-N 3.01Å
229	V	48.7	Very low	57.1	Low	107 Å²	107	137.6 Å²	137.6	65%	0.648	73%	0.73	S	S	*	*			trans	-64	101.9	173	179.5	0	0	0	0	106.2	F227 R231	F227-V229 HydrophobicContact CD1-CG2 3.81Å; F227-V229 HydrophobicContact CE1-CG2 4.43Å; F227-V229 PolarHBondContact O-N 2.94Å; V229-R231 PolarHBondContact O-N 3.46Å
230	Q	41.8	Very low	55.4	Low	182 Å²	182	140.2 Å²	140.2	85%	0.85	75%	0.749	S	S	*	*			trans	-58.5	90.6	171.2	-74.3	-171.7	-15.8	0	0	108.9	D228 E232	D228-Q230 PolarHBondContact O-N 3.01Å; Q230-E232 PolarHBondContact O-N 3.41Å
231	R	46.1	Very low	53.5	Low	231 Å²	231	144.4 Å²	144.4	87%	0.872	77%	0.774	S	S	*	*			trans	-73	96.2	173.4	-178.3	178.7	-177.2	171.2	1.6	106.6	V229 K233	V229-R231 PolarHBondContact O-N 3.46Å; R231-K233 PolarHBondContact O-N 3.47Å
232	E	49.7	Very low	51.7	Low	183 Å²	183	147.9 Å²	147.9	86%	0.855	79%	0.791	S	S	*	*			trans	-44.7	118.3	175.8	-66.6	-172	141.2	0	0	109.8	Q230 P234	Q230-E232 PolarHBondContact O-N 3.41Å; E232-P234 WeakPolarHBondContact O-CD 3.3Å
233	K	40.7	Very low	50.3	Low	196 Å²	196	151 Å²	151	85%	0.852	79%	0.792	S	S	*	*			trans	-76	118.2	-179.5	-126.6	177.5	-178.3	179.5	0	106.5	R231 S235	R231-K233 PolarHBondContact O-N 3.47Å; K233-S235 PolarHBondContact O-N 2.86Å
234	P	44.6	Very low	49.2	Very low	106 Å²	106	149.8 Å²	149.8	69%	0.688	79%	0.788	S	S	*	*			trans	-59.5	130.1	-179.8	24	-33.2	0	0	0	109.6	E232 N236	E232-P234 WeakPolarHBondContact O-CD 3.3Å; P234-N236 PolarHBondContact O-N 3.28Å
235	S	51.4	Low	47.9	Very low	116 Å²	116	149 Å²	149	81%	0.811	79%	0.787	S	S	*	*	S	Bend	trans	-75	24.8	-162	47.8	0	0	0	0	115.7	K233	K233-S235 PolarHBondContact O-N 2.86Å
236	N	57.2	Low	47.7	Very low	152 Å²	152	146.9 Å²	146.9	81%	0.813	78%	0.783	S	S	*	*			trans	-139.1	60.5	-174.8	-78.6	-64.3	0	0	0	112.6	P234	P234-N236 PolarHBondContact O-N 3.28Å
237	C	41.3	Very low	46.9	Very low	118 Å²	118	150.8 Å²	150.8	80%	0.797	78%	0.782	S	S	*	*			trans	-128.3	127.1	163.6	-74.9	0	0	0	0	109.2
238	A	43.5	Very low	47.1	Very low	92 Å²	92	152 Å²	152	76%	0.76	79%	0.787	S	S	*	*			trans	-67.1	146.8	-176.9	0	0	0	0	0	112.5	S240	A238-S240 VanDerWaalsContact C-N 3.27Å; A238-S240 PolarHBondContact O-N 3.39Å
239	A	44.9	Very low	47	Very low	114 Å²	114	150.8 Å²	150.8	94%	0.942	78%	0.781	S	S	*	*	S	Bend	trans	-76.2	68.5	-177.8	0	0	0	0	0	112.8
240	S	52.9	Low	47	Very low	108 Å²	108	153.2 Å²	153.2	76%	0.755	79%	0.789	S	S	*	*			trans	-158.8	73.3	171.3	-165.2	0	0	0	0	112.9	A238	A238-S240 VanDerWaalsContact C-N 3.27Å; A238-S240 PolarHBondContact O-N 3.39Å
241	T	51	Low	47.4	Very low	106 Å²	106	155.5 Å²	155.5	65%	0.65	79%	0.79	S	S	*	*			trans	-136.7	-4.3	171.8	58.6	0	0	0	0	115.4	K243	T241-K243 VanDerWaalsContact C-N 3.25Å; T241-K243 PolarHBondContact O-N 3.11Å
242	E	46.9	Very low	46.9	Very low	193 Å²	193	149.5 Å²	149.5	90%	0.902	78%	0.783	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.3	-7.6	-176.9	-64.6	-168.9	151.1	0	0	114.3
243	K	45.6	Very low	46.8	Very low	165 Å²	165	146.5 Å²	146.5	72%	0.717	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-135	51.2	-176.9	-71.8	-174.8	179.1	174.2	0	113.8	T241 Y245	T241-K243 VanDerWaalsContact C-N 3.25Å; T241-K243 PolarHBondContact O-N 3.11Å; K243-Y245 HydrophobicContact CB-CD2 4.14Å; K243-Y245 HydrophobicContact CB-CE2 3.7Å; K243-Y245 HydrophobicContact CD-CE2 4.15Å; K243-Y245 HydrophobicContact CG-CE2 3.85Å; K243-Y245 PolarHBondContact O-N 2.71Å
244	I	48	Very low	46.7	Very low	125 Å²	125	144.7 Å²	144.7	64%	0.641	78%	0.778	S	S	*	*			trans	-81.1	88.2	168.1	-55	-179.8	0	0	0	109.7	I246	I244-I246 HydrophobicContact CG2-CG1 4.18Å; I244-I246 PolarHBondContact O-N 3.21Å
245	Y	47.8	Very low	46.3	Very low	182 Å²	182	147.5 Å²	147.5	71%	0.714	79%	0.786	S	S	*	*			trans	-88.2	95.4	175	-66.4	-78	0	0	0	111.7	K243 R247	K243-Y245 HydrophobicContact CB-CD2 4.14Å; K243-Y245 HydrophobicContact CB-CE2 3.7Å; K243-Y245 HydrophobicContact CD-CE2 4.15Å; K243-Y245 HydrophobicContact CG-CE2 3.85Å; K243-Y245 PolarHBondContact O-N 2.71Å; Y245-R247 PolarHBondContact O-N 2.74Å; Y245-R247 VanDerWaalsContact O-N 3.08Å
246	I	46.6	Very low	45.6	Very low	154 Å²	154	146.6 Å²	146.6	79%	0.79	79%	0.785	S	S	*	*			trans	-76.2	95	171.5	-55.1	178.7	0	0	0	109.5	I244	I244-I246 HydrophobicContact CG2-CG1 4.18Å; I244-I246 PolarHBondContact O-N 3.21Å
247	R	42.8	Very low	44.5	Very low	205 Å²	205	145 Å²	145	77%	0.774	78%	0.782	S	S	*	*			trans	-74.2	123.1	164.3	-69.8	-175.6	178.2	172.3	-0.2	109	Y245	Y245-R247 PolarHBondContact O-N 2.74Å; Y245-R247 VanDerWaalsContact O-N 3.08Å
248	K	49.2	Very low	44.3	Very low	211 Å²	211	145 Å²	145	92%	0.917	78%	0.78	S	S	*	*	S	Bend	trans	-87.4	-13.1	178.9	-162.7	172.7	178.8	-176.6	0	113.8
249	D	45.4	Very low	44	Very low	121 Å²	121	146 Å²	146	65%	0.647	78%	0.777	S	S	*	*			trans	-147.6	158.3	172.5	-153.8	-44.2	0	0	0	109.6	R251	D249-R251 PolarHBondContact OD1-N 2.79Å
250	L	48.5	Very low	43.4	Very low	157 Å²	157	149.9 Å²	149.9	82%	0.822	77%	0.773	S	S	*	*	S	Bend	trans	-107	2.3	-173.6	-99.8	78.6	0	0	0	114.4
251	R	51.3	Low	42.5	Very low	231 Å²	231	150.5 Å²	150.5	87%	0.872	77%	0.772	S	S	*	*			trans	-118.5	16.3	-166.3	-70.5	-177.3	171.2	166.7	-2.5	117.4	D249	D249-R251 PolarHBondContact OD1-N 2.79Å
252	S	35.4	Very low	41.6	Very low	104 Å²	104	150.2 Å²	150.2	73%	0.727	78%	0.78	S	S	*	*			trans	-105.8	116.6	178.6	-170.7	0	0	0	0	112.8	L254	S252-L254 PolarHBondContact O-N 3.4Å
253	P	48.6	Very low	40.8	Very low	121 Å²	121	148.6 Å²	148.6	79%	0.786	78%	0.777	S	S	*	*			trans	-99.2	74.7	-177.7	37.8	-33.3	0	0	0	112.6
254	L	36.8	Very low	40.2	Very low	157 Å²	157	149.2 Å²	149.2	82%	0.822	78%	0.78	S	S	*	*			trans	-134	145.7	167.1	-72.8	176.5	0	0	0	111	S252	S252-L254 PolarHBondContact O-N 3.4Å
255	I	37.9	Very low	39.3	Very low	166 Å²	166	151 Å²	151	85%	0.851	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-77.3	134.1	-174	-63.3	169.8	0	0	0	110
256	A	35	Very low	38.4	Very low	96 Å²	96	146 Å²	146	79%	0.793	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-96.6	118.5	171.8	0	0	0	0	0	110.1
257	T	34.8	Very low	37.6	Very low	120 Å²	120	143.2 Å²	143.2	74%	0.736	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-79.2	144.5	170.8	40.5	0	0	0	0	111
258	P	36.3	Very low	37	Very low	118 Å²	118	144.5 Å²	144.5	77%	0.766	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-74.7	151.1	175.9	31.9	-34.4	0	0	0	111.2
259	T	38.8	Very low	36	Very low	113 Å²	113	142.4 Å²	142.4	69%	0.693	79%	0.793	S	S	*	*			trans	-115.1	133.6	171	-37.6	0	0	0	0	108.9
260	F	32.2	Very low	35.2	Very low	195 Å²	195	143.3 Å²	143.3	86%	0.855	80%	0.803	S	S	*	*			trans	67.5	118.9	-174.5	-53.4	-77.1	0	0	0	115.9
261	V	33.3	Very low	34.1	Very low	121 Å²	121	139.9 Å²	139.9	73%	0.733	81%	0.805	S	S	*	*			trans	-108.4	136.8	150.9	176.9	0	0	0	0	105.9
262	A	31.8	Very low	33.1	Very low	99 Å²	99	136.7 Å²	136.7	82%	0.818	81%	0.805	S	S	*	*			trans	-122.3	87.8	173.3	0	0	0	0	0	107.4	K264	A262-K264 PolarHBondContact O-N 3.43Å
263	D	30.5	Very low	32.7	Very low	159 Å²	159	139.7 Å²	139.7	85%	0.85	81%	0.812	S	S	*	*			trans	-73.9	126.4	-179.6	-95.1	-48.8	0	0	0	111.2
264	K	32.5	Very low	31.6	Very low	179 Å²	179	140.7 Å²	140.7	78%	0.778	81%	0.811	S	S	*	*			trans	-153.3	106.1	169.8	-178.9	-153.3	170.3	-167.1	0	108.3	A262	A262-K264 PolarHBondContact O-N 3.43Å
265	D	30.4	Very low	31.8	Very low	162 Å²	162	138.5 Å²	138.5	87%	0.866	81%	0.806	S	S	*	*			trans	-165.8	165.7	137.5	-99.4	-23.4	0	0	0	110.1
266	G	29.2	Very low	31.1	Very low	76 Å²	76	133.5 Å²	133.5	78%	0.784	80%	0.795	S	S	*	*			trans	-150.7	125.8	178.6	0	0	0	0	0	112.2
267	A	29	Very low	30.6	Very low	97 Å²	97	136.9 Å²	136.9	80%	0.802	80%	0.797	S	S	*	*			trans	-150.8	100.8	177.6	0	0	0	0	0	113.1
268	R	29.5	Very low	30.3	Very low	232 Å²	232	137.8 Å²	137.8	88%	0.875	80%	0.796	S	S	*	*			trans	44.9	136.4	132.5	-68.9	-179.1	173.9	179.6	-2.3	122.2
269	Q	29.1	Very low	29.9	Very low	167 Å²	167	137.4 Å²	137.4	78%	0.78	79%	0.791	S	S	*	*			trans	90.3	92.3	141.9	-76.8	171.6	-15	0	0	121.1
270	T	27.7	Very low	29.2	Very low	140 Å²	140	138.8 Å²	138.8	86%	0.859	80%	0.795	S	S	*	*				33.6	120.1	116.3	56.5	0	0	0	0	120.2
271	G	26.5	Very low	28.9	Very low	84 Å²	84	136.9 Å²	136.9	87%	0.866	79%	0.792	S	S	*	*			trans	-154.1	134.4	158	0	0	0	0	0	111
272	L	29.7	Very low	28.4	Very low	165 Å²	165	139.4 Å²	139.4	86%	0.864	80%	0.795	S	S	*	*			trans	-113.7	142.6	-179.4	179.2	77.1	0	0	0	109
273	L	27.8	Very low	28.1	Very low	166 Å²	166	142 Å²	142	87%	0.869	79%	0.791	S	S	*	*			trans	164.2	158.9	141.8	-89.2	170.1	0	0	0	112.8
274	D	24.2	Very low	28	Very low	143 Å²	143	139.6 Å²	139.6	77%	0.765	78%	0.784	S	S	*	*			trans	-161.4	173.4	-174.5	-168.8	41.4	0	0	0	106.6
275	P	41	Very low	27.6	Very low	111 Å²	111	138.3 Å²	138.3	72%	0.721	78%	0.784	S	S	*	*			cis	-129.7	-179.7	-14.7	14.9	11.2	0	0	0	115.6
276	G	23.4	Very low	27.3	Very low	61 Å²	61	136.9 Å²	136.9	63%	0.629	78%	0.775	S	S	*	*				130.5	154.6	128.8	0	0	0	0	0	121.1
277	M	25.6	Very low	27	Very low	166 Å²	166	144.6 Å²	144.6	82%	0.818	78%	0.781	S	S	*	*			trans	75.3	156.5	168	-51.7	-66.2	86.6	0	0	116.5
278	L	28.5	Very low	26.8	Very low	140 Å²	140	147.5 Å²	147.5	73%	0.733	78%	0.778	S	S	*	*			cis	-170.5	158.5	-20.1	-94.6	171.3	0	0	0	105.8
279	V	27.7	Very low	26.5	Very low	109 Å²	109	144.2 Å²	144.2	66%	0.661	78%	0.778	S	S	*	*			cis	-171.2	155.9	-13.5	66.4	0	0	0	0	111
280	N	23.1	Very low	26.2	Very low	142 Å²	142	139.4 Å²	139.4	76%	0.759	77%	0.773	S	S	*	*			trans	58.5	137.9	159.6	-83.2	-15.8	0	0	0	122.3
281	I	26.2	Very low	26.1	Very low	155 Å²	155	139.8 Å²	139.8	80%	0.795	78%	0.775	S	S	*	*				-169.9	141	102	-96.9	168.2	0	0	0	112.3
282	Q	24.1	Very low	26	Very low	174 Å²	174	141.7 Å²	141.7	81%	0.813	77%	0.769	S	S	*	*			trans	66.5	128.3	164.6	-125.8	56.9	24.8	0	0	123.7
283	Q	24.5	Very low	25.7	Very low	155 Å²	155	141.9 Å²	141.9	72%	0.724	77%	0.77	S	S	*	*			trans	-118.6	160.1	160.4	-145.3	-165.8	0.3	0	0	107.9
284	P	29.4	Very low	25.6	Very low	107 Å²	107	141.6 Å²	141.6	70%	0.695	77%	0.769	S	S	*	*				-142	-161.9	83.2	42.7	-25.6	0	0	0	110.8
285	L	22.2	Very low	25.5	Very low	152 Å²	152	139.1 Å²	139.1	80%	0.796	77%	0.769	S	S	*	*			cis	-145	-158	1.1	-164.5	42.1	0	0	0	109.2
286	I	24.7	Very low	24.6	Very low	132 Å²	132	139.9 Å²	139.9	68%	0.677	77%	0.772	S	S	*	*			trans	-137.5	143.4	-174.3	-64.4	166.9	0	0	0	110.9	E288	I286-E288 HydrophobicContact CG2-CB 4.33Å
287	R	22.5	Very low	24.5	Very low	239 Å²	239	143.9 Å²	143.9	90%	0.902	78%	0.778	S	S	*	*			trans	-176.3	113.4	141.1	-105.6	172.1	166.6	-156.9	-11.3	108.4
288	E	25.1	Very low	24.5	Very low	158 Å²	158	140.7 Å²	140.7	74%	0.738	77%	0.773	S	S	*	*			cis	93.8	155.1	41.2	-162.7	167.4	-131.6	0	0	112.6	I286	I286-E288 HydrophobicContact CG2-CB 4.33Å
289	D	22.7	Very low	24.2	Very low	163 Å²	163	144.3 Å²	144.3	87%	0.872	78%	0.782	S	S	*	*			trans	71.7	130.4	-166.5	-55.4	-30.8	0	0	0	116.3
290	G	23.5	Very low	24.2	Very low	65 Å²	65	143.8 Å²	143.8	67%	0.67	79%	0.79	S	S	*	*			cis	156	150	-11.6	0	0	0	0	0	114.7
291	T	25.2	Very low	24.3	Very low	148 Å²	148	146.2 Å²	146.2	91%	0.908	80%	0.796	S	S	*	*			trans	106.8	140.9	166.6	-44.4	0	0	0	0	117.2
292	V	25.1	Very low	24.8	Very low	124 Å²	124	145.8 Å²	145.8	75%	0.752	80%	0.801	S	S	*	*			trans	-127.1	150.1	-176.1	174	0	0	0	0	109.4
293	L	23	Very low	24.9	Very low	169 Å²	169	143 Å²	143	89%	0.885	80%	0.8	S	S	*	*			trans	-154.8	150.6	152.6	-113	172.6	0	0	0	112.7
294	L	26.1	Very low	25.3	Very low	160 Å²	160	145 Å²	145	84%	0.838	81%	0.81	S	S	*	*			trans	-120.9	137	177.4	-81.2	159.3	0	0	0	109.1
295	A	21.4	Very low	25.4	Very low	92 Å²	92	143.9 Å²	143.9	76%	0.76	82%	0.818	S	S	*	*			trans	-158.4	98.4	167.5	0	0	0	0	0	113.9
296	T	22.7	Very low	26.1	Very low	127 Å²	127	139.1 Å²	139.1	78%	0.779	80%	0.801	S	S	*	*			trans	21.7	126.3	138.5	58.3	0	0	0	0	122.5
297	D	20.5	Very low	27	Very low	144 Å²	144	137 Å²	137	77%	0.77	79%	0.791	S	S	*	*				90.9	123.2	127.1	-97.7	-59.1	0	0	0	125
298	S	26.1	Very low	28.1	Very low	100 Å²	100	127 Å²	127	70%	0.699	76%	0.761	S	S	*	*			trans	50.9	97.9	132.1	-68.2	0	0	0	0	121.3
299	K	22.8	Very low	29.5	Very low	216 Å²	216	121 Å²	121	94%	0.939	74%	0.735	S	S	*	*				-153.6	145.5	122.4	-115.6	168.6	-175.5	178	0	111.6
300	A	27.6	Very low	30.9	Very low	98 Å²	98	113.5 Å²	113.5	81%	0.81	70%	0.695	S	S	*	*			trans	-94.9	138.5	176.7	0	0	0	0	0	110.5
301	E	23.9	Very low	32.3	Very low	193 Å²	193	111.4 Å²	111.4	90%	0.902	67%	0.672	S	S	*	*			trans	-143.4	122.8	160.7	-132.5	164.6	-130	0	0	109.5
302	T	36.9	Very low	33.8	Very low	146 Å²	146	108.9 Å²	108.9	90%	0.896	65%	0.653	S	S	*	*			trans	-79.4	119.5	-171.3	-31.8	0	0	0	0	110.3
303	S	26.2	Very low	35.1	Very low	114 Å²	114	104.1 Å²	104.1	80%	0.797	62%	0.624	S	S	*	*			trans	-120	133.2	176.6	50.7	0	0	0	0	111.9
304	Q	33	Very low	36.6	Very low	197 Å²	197	96.9 Å²	96.9	92%	0.921	59%	0.586	S	S	*	*			trans	-90.4	116.3	-171.4	-64.8	159.7	-52.4	0	0	110.6
305	G	32.6	Very low	38.1	Very low	84 Å²	84	92.8 Å²	92.8	87%	0.866	57%	0.568	S	S	*	*			trans	-125.1	52.8	-175.9	0	0	0	0	0	114.6
306	A	37.1	Very low	39.7	Very low	53 Å²	53	91.7 Å²	91.7	44%	0.438	56%	0.555	S	S	.	*	S	Bend	trans	-141.9	-16.5	-175.6	0	0	0	0	0	116.8
307	L	42.5	Very low	40.9	Very low	88 Å²	88	87.4 Å²	87.4	46%	0.461	53%	0.527	S	S	.	.	S	Bend	trans	-94.9	-4.9	-174.5	-87.1	162.2	0	0	0	115.2	A311 L599	L307-A311 VanDerWaalsContact O-CB 3.31Å; L307-A311 WeakPolarHBondContact O-CB 3.33Å; L307-L599 HydrophobicContact CD2-CD1 4.04Å
308	G	45.2	Very low	42.1	Very low	27 Å²	27	82.3 Å²	82.3	28%	0.278	51%	0.505	S	S	.	.	H	α-helix	trans	-55.9	-71.2	-161.9	0	0	0	0	0	116.3	L310 A311 N312	G308-L310 PolarHBondContact O-N 3.44Å; G308-A311 PolarHBondContact O-N 3.4Å; G308-N312 WeakPolarHBondContact O-CB 3.36Å; G308-N312 PolarHBondContact O-N 3.13Å; G308-N312 PolarHBondContact O-ND2 3.32Å; G308-N312 PolarHBondContact O-OD1 3.04Å
309	T	56.3	Low	42.9	Very low	33 Å²	33	82 Å²	82	20%	0.202	50%	0.495	C	S	.	.	H	α-helix	trans	-53.8	-53.9	-152.5	-27.7	0	0	0	0	114.7	V313 F428 M615 Q623	T309-V313 WeakPolarHBondContact O-CG2 3.46Å; T309-V313 PolarHBondContact O-N 3.37Å; T309-F428 HydrophobicContact CG2-CE1 4.08Å; T309-F428 HydrophobicContact CG2-CE2 4.47Å; T309-F428 HydrophobicContact CG2-CZ 3.87Å; T309-M615 HydrophobicContact CG2-CE 3.83Å; T309-Q623 PolarHBondContact OG1-OE1 2.91Å
310	L	51.1	Low	43.8	Very low	5 Å²	5	77 Å²	77	3%	0.026	48%	0.479	C	S	.	.	H	α-helix	trans	-81.9	-39.4	-175.7	-155.8	160.9	0	0	0	111.7	G308 N312 V313 V314 L427 F428 L599 I600 I608	G308-L310 PolarHBondContact O-N 3.44Å; L310-N312 VanDerWaalsContact C-N 3.3Å; L310-N312 PolarHBondContact O-N 2.6Å; L310-V313 PolarHBondContact O-N 2.92Å; L310-V314 HydrophobicContact CD2-CG2 3.79Å; L310-V314 WeakPolarHBondContact O-CG2 3.3Å; L310-V314 PolarHBondContact O-N 3.45Å; L310-L427 HydrophobicContact CD1-CD2 4.4Å; L310-F428 HydrophobicContact CB-CE2 4Å; L310-F428 HydrophobicContact CD1-CD2 4.44Å; L310-F428 HydrophobicContact CD1-CE2 3.96Å; L310-F428 HydrophobicContact CG-CE2 4.07Å; L310-L599 HydrophobicContact CB-CD2 3.75Å; L310-L599 HydrophobicContact CD2-CD2 3.74Å; L310-L599 HydrophobicContact CG-CD2 4.26Å; L310-I600 HydrophobicContact CD1-CD1 4.27Å; L310-I600 HydrophobicContact CD2-CD1 3.46Å; L310-I600 VanDerWaalsContact CD2-CD1 3.46Å; L310-I600 HydrophobicContact CD2-CG1 3.51Å; L310-I608 HydrophobicContact CD2-CD1 4.36Å
311	A	53.2	Low	44.1	Very low	22 Å²	22	75.1 Å²	75.1	18%	0.182	46%	0.459	C	S	.	.	H	α-helix	trans	-64.3	-34.6	176.4	0	0	0	0	0	112.2	L307 G308 V314 T315 L599	L307-A311 VanDerWaalsContact O-CB 3.31Å; L307-A311 WeakPolarHBondContact O-CB 3.33Å; G308-A311 PolarHBondContact O-N 3.4Å; A311-V314 PolarHBondContact O-N 2.96Å; A311-T315 VanDerWaalsContact O-CB 3.27Å; A311-T315 WeakPolarHBondContact O-CB 3.18Å; A311-T315 PolarHBondContact O-N 3.05Å; A311-T315 PolarHBondContact O-OG1 3.05Å; A311-L599 HydrophobicContact CB-CD2 4.25Å
312	N	55.6	Low	44.6	Very low	95 Å²	95	72.2 Å²	72.2	51%	0.508	45%	0.446	S	S	.	.	H	α-helix	trans	-66.2	-40.9	173.2	-70.5	-3.7	0	0	0	111.8	G308 L310 T315 S316	G308-N312 WeakPolarHBondContact O-CB 3.36Å; G308-N312 PolarHBondContact O-N 3.13Å; G308-N312 PolarHBondContact O-ND2 3.32Å; G308-N312 PolarHBondContact O-OD1 3.04Å; L310-N312 VanDerWaalsContact C-N 3.3Å; L310-N312 PolarHBondContact O-N 2.6Å; N312-T315 PolarHBondContact O-N 2.84Å; N312-S316 VanDerWaalsContact O-CB 3.3Å; N312-S316 WeakPolarHBondContact O-CB 3.49Å; N312-S316 PolarHBondContact O-N 3.37Å; N312-S316 PolarHBondContact O-OG 3.39Å
313	V	53.6	Low	44.5	Very low	23 Å²	23	70 Å²	70	14%	0.139	44%	0.436	C	S	.	.	H	α-helix	trans	-62.1	-46.3	173.1	170.3	0	0	0	0	110.7	T309 L310 S316 L317 I608 M615	T309-V313 WeakPolarHBondContact O-CG2 3.46Å; T309-V313 PolarHBondContact O-N 3.37Å; L310-V313 PolarHBondContact O-N 2.92Å; V313-S316 PolarHBondContact O-N 2.88Å; V313-L317 WeakPolarHBondContact O-CB 3.34Å; V313-L317 PolarHBondContact O-N 2.83Å; V313-I608 HydrophobicContact CG1-CG2 4.03Å; V313-M615 HydrophobicContact CG2-SD 3.92Å
314	V	54.5	Low	44.9	Very low	17 Å²	17	71.6 Å²	71.6	10%	0.103	44%	0.435	C	S	.	.	H	α-helix	trans	-64.2	-41.6	177.8	172.8	0	0	0	0	111.8	L310 A311 L317 A318 I600 V603 I608	L310-V314 HydrophobicContact CD2-CG2 3.79Å; L310-V314 WeakPolarHBondContact O-CG2 3.3Å; L310-V314 PolarHBondContact O-N 3.45Å; A311-V314 PolarHBondContact O-N 2.96Å; V314-L317 PolarHBondContact O-N 3.47Å; V314-A318 WeakPolarHBondContact O-CB 3.23Å; V314-A318 PolarHBondContact O-N 2.99Å; V314-I600 HydrophobicContact CG2-CG2 3.96Å; V314-V603 HydrophobicContact CG1-CG2 4.28Å; V314-I608 HydrophobicContact CG2-CD1 3.78Å
315	T	57.9	Low	44.9	Very low	74 Å²	74	68.9 Å²	68.9	45%	0.454	43%	0.427	S	S	.	.	H	α-helix	trans	-66.9	-39.9	177.4	-56.5	0	0	0	0	111.3	A311 N312 L317 A318 N319	A311-T315 VanDerWaalsContact O-CB 3.27Å; A311-T315 WeakPolarHBondContact O-CB 3.18Å; A311-T315 PolarHBondContact O-N 3.05Å; A311-T315 PolarHBondContact O-OG1 3.05Å; N312-T315 PolarHBondContact O-N 2.84Å; T315-L317 VanDerWaalsContact C-N 3.32Å; T315-L317 PolarHBondContact O-N 3.28Å; T315-A318 PolarHBondContact O-N 3.44Å; T315-N319 PolarHBondContact O-N 3.02Å; T315-N319 PolarHBondContact O-OD1 3.33Å
316	S	53.6	Low	44.9	Very low	69 Å²	69	72.7 Å²	72.7	48%	0.483	43%	0.427	S	S	.	.	H	α-helix	trans	-63.6	-39.8	174.5	-56.8	0	0	0	0	111.3	N312 V313 L320	N312-S316 VanDerWaalsContact O-CB 3.3Å; N312-S316 WeakPolarHBondContact O-CB 3.49Å; N312-S316 PolarHBondContact O-N 3.37Å; N312-S316 PolarHBondContact O-OG 3.39Å; V313-S316 PolarHBondContact O-N 2.88Å; S316-L320 WeakPolarHBondContact O-CD1 3.15Å; S316-L320 WeakPolarHBondContact O-CG 3.18Å; S316-L320 PolarHBondContact O-N 2.9Å
317	L	47.9	Very low	44.6	Very low	37 Å²	37	73.6 Å²	73.6	19%	0.194	44%	0.442	C	S	.	.	H	α-helix	trans	-69.1	-38.1	176	-156.8	74.3	0	0	0	112.1	V313 V314 T315 L320 S321 V603 Y611	V313-L317 WeakPolarHBondContact O-CB 3.34Å; V313-L317 PolarHBondContact O-N 2.83Å; V314-L317 PolarHBondContact O-N 3.47Å; T315-L317 VanDerWaalsContact C-N 3.32Å; T315-L317 PolarHBondContact O-N 3.28Å; L317-L320 PolarHBondContact O-N 2.87Å; L317-S321 PolarHBondContact O-N 3.21Å; L317-V603 HydrophobicContact CD2-CG1 4.07Å; L317-Y611 HydrophobicContact CD1-CE1 4.27Å; L317-Y611 HydrophobicContact CD1-CE2 3.85Å; L317-Y611 WeakPolarHBondContact CD1-OH 3.47Å
318	A	46.6	Very low	43.7	Very low	38 Å²	38	76.5 Å²	76.5	31%	0.314	46%	0.458	S	S	.	.	H	α-helix	trans	-62.8	-51	175.8	0	0	0	0	0	111.2	V314 T315 L320 S321 E322	V314-A318 WeakPolarHBondContact O-CB 3.23Å; V314-A318 PolarHBondContact O-N 2.99Å; T315-A318 PolarHBondContact O-N 3.44Å; A318-L320 VanDerWaalsContact C-N 3.26Å; A318-L320 PolarHBondContact O-N 2.92Å; A318-S321 CarbonylContact O-C 3.57Å; A318-S321 WeakPolarHBondContact O-CA 3.47Å; A318-S321 WeakPolarHBondContact O-CB 3.36Å; A318-S321 PolarHBondContact O-N 3.37Å; A318-S321 PolarHBondContact O-OG 3.06Å; A318-E322 PolarHBondContact O-N 3.29Å
319	N	42.4	Very low	42.8	Very low	92 Å²	92	80.6 Å²	80.6	49%	0.492	48%	0.478	S	S	.	.	H	α-helix	trans	-59.3	-35.7	178.1	-64.2	-3.3	0	0	0	112.4	T315 S323	T315-N319 PolarHBondContact O-N 3.02Å; T315-N319 PolarHBondContact O-OD1 3.33Å; N319-S323 PolarHBondContact O-N 3.07Å; N319-S323 PolarHBondContact O-OG 3.11Å
320	L	41.4	Very low	41.4	Very low	112 Å²	112	84 Å²	84	59%	0.586	50%	0.503	S	S	*	.	H	α-helix	trans	-67	-33.2	171.7	-78.4	165	0	0	0	112.9	S316 L317 A318	S316-L320 WeakPolarHBondContact O-CD1 3.15Å; S316-L320 WeakPolarHBondContact O-CG 3.18Å; S316-L320 PolarHBondContact O-N 2.9Å; L317-L320 PolarHBondContact O-N 2.87Å; A318-L320 VanDerWaalsContact C-N 3.26Å; A318-L320 PolarHBondContact O-N 2.92Å
321	S	34.3	Very low	40.2	Very low	58 Å²	58	92 Å²	92	41%	0.406	54%	0.54	S	S	.	.	H	α-helix	trans	-80.5	-35.8	179.6	74.9	0	0	0	0	113.9	L317 A318 S323 L324	L317-S321 PolarHBondContact O-N 3.21Å; A318-S321 CarbonylContact O-C 3.57Å; A318-S321 WeakPolarHBondContact O-CA 3.47Å; A318-S321 WeakPolarHBondContact O-CB 3.36Å; A318-S321 PolarHBondContact O-N 3.37Å; A318-S321 PolarHBondContact O-OG 3.06Å; S321-S323 PolarHBondContact O-N 3.17Å; S321-L324 PolarHBondContact O-N 3.25Å; S321-L324 VanDerWaalsContact O-N 3.1Å
322	E	35.2	Very low	38.9	Very low	132 Å²	132	97.4 Å²	97.4	62%	0.617	56%	0.564	S	S	*	*	H	α-helix	trans	-65	-29.4	175.7	-69	-171.4	152.3	0	0	111.6	A318 L324	A318-E322 PolarHBondContact O-N 3.29Å; E322-L324 PolarHBondContact O-N 2.96Å; E322-L324 VanDerWaalsContact O-N 3.13Å
323	S	33.8	Very low	37.5	Very low	99 Å²	99	101.7 Å²	101.7	69%	0.692	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	-5.2	173.9	-58	0	0	0	0	114.5	N319 S321	N319-S323 PolarHBondContact O-N 3.07Å; N319-S323 PolarHBondContact O-OG 3.11Å; S321-S323 PolarHBondContact O-N 3.17Å
324	L	35.3	Very low	36.8	Very low	149 Å²	149	106 Å²	106	78%	0.78	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.5	-3.7	-176.4	-71	173.4	0	0	0	114.9	S321 E322	S321-L324 PolarHBondContact O-N 3.25Å; S321-L324 VanDerWaalsContact O-N 3.1Å; E322-L324 PolarHBondContact O-N 2.96Å; E322-L324 VanDerWaalsContact O-N 3.13Å
325	N	33.2	Very low	35.5	Very low	140 Å²	140	114.1 Å²	114.1	75%	0.749	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	-0.9	-171.5	-93	-22.7	0	0	0	116	G327	N325-G327 PolarHBondContact O-N 3.02Å
326	N	32.1	Very low	34.4	Very low	163 Å²	163	118 Å²	118	87%	0.872	67%	0.665	S	S	*	*			trans	-90.2	96.9	172.5	-80.4	-24.5	0	0	0	110.7
327	G	30.5	Very low	33.5	Very low	72 Å²	72	119.9 Å²	119.9	74%	0.742	67%	0.666	S	S	*	*			trans	-142.2	53	-170.4	0	0	0	0	0	116	N325	N325-G327 PolarHBondContact O-N 3.02Å
328	D	25	Very low	32.9	Very low	150 Å²	150	122.4 Å²	122.4	80%	0.802	69%	0.686	S	S	*	*			trans	-167.7	144.5	157.2	-125.1	-33.9	0	0	0	108.3
329	T	26	Very low	32.4	Very low	112 Å²	112	123.8 Å²	123.8	69%	0.687	70%	0.698	S	S	*	*			cis	-148.9	158.8	6.4	-49.4	0	0	0	0	110.1
330	S	25.7	Very low	32.3	Very low	104 Å²	104	122.4 Å²	122.4	73%	0.727	70%	0.695	S	S	*	*			trans	106.4	100.5	157.4	-40.8	0	0	0	0	119
331	E	26.1	Very low	32	Very low	175 Å²	175	122.4 Å²	122.4	82%	0.818	69%	0.693	S	S	*	*			trans	61.3	115.2	133.6	-63.7	-156.5	138.8	0	0	124.1
332	I	25.3	Very low	32.4	Very low	134 Å²	134	124.9 Å²	124.9	69%	0.687	70%	0.7	S	S	*	*			trans	96.3	110.2	131.6	-66.9	168	0	0	0	120.4
333	Q	26.1	Very low	32.7	Very low	185 Å²	185	123.1 Å²	123.1	86%	0.864	70%	0.699	S	S	*	*			trans	76.2	154	153.7	-77	-179.8	14.7	0	0	120.5
334	P	40.3	Very low	32.9	Very low	114 Å²	114	126.1 Å²	126.1	74%	0.74	70%	0.695	S	S	*	*			trans	-118.7	160.5	-152.2	41.5	-30.3	0	0	0	115.2
335	E	27.1	Very low	32.9	Very low	187 Å²	187	121.8 Å²	121.8	87%	0.874	68%	0.68	S	S	*	*			trans	-153.6	150.5	150.3	-123.3	162.7	-159.2	0	0	112.5	Q337	E335-Q337 VanDerWaalsContact C-N 3.34Å; E335-Q337 PolarHBondContact O-N 3.5Å; E335-Q337 VanDerWaalsContact O-N 3.11Å
336	D	33.7	Very low	33.3	Very low	155 Å²	155	121.7 Å²	121.7	83%	0.829	67%	0.673	S	S	*	*	S	Bend	trans	-93.4	43.7	-152.3	-157	8.4	0	0	0	113.9
337	Q	35.4	Very low	33.5	Very low	110 Å²	110	117.4 Å²	117.4	51%	0.514	65%	0.651	S	S	.	*			trans	-103.2	-30.2	-158.4	-145.4	63.9	42.5	0	0	115.7	E335 A339 S340 E341	E335-Q337 VanDerWaalsContact C-N 3.34Å; E335-Q337 PolarHBondContact O-N 3.5Å; E335-Q337 VanDerWaalsContact O-N 3.11Å; Q337-A339 PolarHBondContact O-N 3.23Å; Q337-S340 WeakPolarHBondContact O-CB 3.21Å; Q337-S340 PolarHBondContact O-N 2.73Å; Q337-E341 PolarHBondContact O-N 2.93Å
338	S	35.2	Very low	33.8	Very low	89 Å²	89	118.1 Å²	118.1	62%	0.622	64%	0.641	S	S	*	*	H	α-helix	trans	-67.9	-34.6	-165.9	58.2	0	0	0	0	115	S340 E341 I342	S338-S340 PolarHBondContact O-N 2.73Å; S338-E341 PolarHBondContact O-N 3.28Å; S338-I342 PolarHBondContact O-N 3.4Å
339	A	36.8	Very low	34.4	Very low	68 Å²	68	116.2 Å²	116.2	56%	0.562	63%	0.63	S	S	*	*	H	α-helix	trans	-65.1	-29.9	176.8	0	0	0	0	0	112.4	Q337 T343	Q337-A339 PolarHBondContact O-N 3.23Å; A339-T343 PolarHBondContact O-OG1 3.35Å
340	S	40.1	Very low	34.9	Very low	62 Å²	62	113.2 Å²	113.2	43%	0.434	62%	0.616	S	S	.	*	H	α-helix	trans	-70.9	-41.3	177.7	-168.3	0	0	0	0	111.5	Q337 S338 R344	Q337-S340 WeakPolarHBondContact O-CB 3.21Å; Q337-S340 PolarHBondContact O-N 2.73Å; S338-S340 PolarHBondContact O-N 2.73Å; S340-R344 WeakPolarHBondContact O-CB 3.39Å; S340-R344 PolarHBondContact O-N 3.27Å
341	E	35.2	Very low	35.3	Very low	113 Å²	113	114.3 Å²	114.3	53%	0.528	61%	0.608	S	S	.	*	H	α-helix	trans	-76.6	-39.6	-172.4	-62.5	-165.9	144.4	0	0	113.7	Q337 S338 T343 R344 A345	Q337-E341 PolarHBondContact O-N 2.93Å; S338-E341 PolarHBondContact O-N 3.28Å; E341-T343 VanDerWaalsContact C-N 3.33Å; E341-T343 PolarHBondContact O-N 3.06Å; E341-R344 PolarHBondContact O-N 3.3Å; E341-A345 WeakPolarHBondContact O-CB 3.44Å; E341-A345 PolarHBondContact O-N 3.13Å
342	I	41.4	Very low	35.7	Very low	109 Å²	109	109.5 Å²	109.5	56%	0.559	60%	0.598	S	S	*	*	H	α-helix	trans	-59.6	-48.1	173.2	-61.1	173.8	0	0	0	109.6	S338 R344 A345 F346	S338-I342 PolarHBondContact O-N 3.4Å; I342-R344 PolarHBondContact O-N 3.27Å; I342-A345 PolarHBondContact O-N 2.9Å; I342-F346 HydrophobicContact CG2-CD2 4.1Å; I342-F346 HydrophobicContact CG2-CE2 3.84Å; I342-F346 WeakPolarHBondContact O-CD2 3.3Å; I342-F346 PolarHBondContact O-N 3.39Å
343	T	42.8	Very low	36.2	Very low	96 Å²	96	110 Å²	110	59%	0.589	60%	0.602	S	S	*	*	H	α-helix	trans	-60.1	-46.8	177.7	-52.3	0	0	0	0	111	A339 E341 A345 F346 D347	A339-T343 PolarHBondContact O-OG1 3.35Å; E341-T343 VanDerWaalsContact C-N 3.33Å; E341-T343 PolarHBondContact O-N 3.06Å; T343-A345 PolarHBondContact O-N 2.88Å; T343-F346 PolarHBondContact O-N 2.93Å; T343-D347 VanDerWaalsContact O-CB 3.25Å; T343-D347 WeakPolarHBondContact O-CB 3.42Å; T343-D347 PolarHBondContact O-N 2.71Å
344	R	38.5	Very low	36.9	Very low	162 Å²	162	107.4 Å²	107.4	61%	0.611	59%	0.594	S	S	*	*	H	α-helix	trans	-64.8	-34.9	-179.6	-177.3	177	177.2	-172.2	-1.4	113.2	S340 E341 I342 D347 T348	S340-R344 WeakPolarHBondContact O-CB 3.39Å; S340-R344 PolarHBondContact O-N 3.27Å; E341-R344 PolarHBondContact O-N 3.3Å; I342-R344 PolarHBondContact O-N 3.27Å; R344-D347 PolarHBondContact O-N 3.11Å; R344-T348 WeakPolarHBondContact O-CB 3.16Å; R344-T348 PolarHBondContact O-N 3.34Å; R344-T348 PolarHBondContact O-OG1 3.04Å; R344-T348 VanDerWaalsContact O-OG1 3.04Å
345	A	34.9	Very low	36.2	Very low	58 Å²	58	107.6 Å²	107.6	48%	0.479	59%	0.593	S	S	.	*	H	α-helix	trans	-65.6	-45.9	176.1	0	0	0	0	0	111.8	E341 I342 T343 T348 L349	E341-A345 WeakPolarHBondContact O-CB 3.44Å; E341-A345 PolarHBondContact O-N 3.13Å; I342-A345 PolarHBondContact O-N 2.9Å; T343-A345 PolarHBondContact O-N 2.88Å; A345-T348 PolarHBondContact O-N 3.44Å; A345-L349 PolarHBondContact O-N 3.48Å; A345-L349 VanDerWaalsContact O-N 3.14Å
346	F	41.3	Very low	36.3	Very low	137 Å²	137	104.3 Å²	104.3	60%	0.601	59%	0.586	S	S	*	*	H	α-helix	trans	-67.9	-36.8	174.4	-70.1	-61.6	0	0	0	112.5	I342 T343 T348 L349 A350	I342-F346 HydrophobicContact CG2-CD2 4.1Å; I342-F346 HydrophobicContact CG2-CE2 3.84Å; I342-F346 WeakPolarHBondContact O-CD2 3.3Å; I342-F346 PolarHBondContact O-N 3.39Å; T343-F346 PolarHBondContact O-N 2.93Å; F346-T348 VanDerWaalsContact C-N 3.32Å; F346-T348 PolarHBondContact O-N 3.21Å; F346-L349 HydrophobicContact CD1-CD1 4.49Å; F346-L349 PolarHBondContact O-N 2.84Å; F346-A350 WeakPolarHBondContact O-CB 3.18Å; F346-A350 PolarHBondContact O-N 3.37Å
347	D	36	Very low	35.9	Very low	74 Å²	74	103.8 Å²	103.8	40%	0.396	58%	0.583	S	S	.	*	H	α-helix	trans	-67.8	-30.3	176.1	-164.1	53.9	0	0	0	112.2	T343 R344 K351	T343-D347 VanDerWaalsContact O-CB 3.25Å; T343-D347 WeakPolarHBondContact O-CB 3.42Å; T343-D347 PolarHBondContact O-N 2.71Å; R344-D347 PolarHBondContact O-N 3.11Å; D347-K351 WeakPolarHBondContact O-CB 3.38Å; D347-K351 WeakPolarHBondContact O-CD 3.47Å; D347-K351 WeakPolarHBondContact O-CG 3.41Å; D347-K351 PolarHBondContact O-N 3.03Å; D347-K351 IonicContact OD1-NZ 2.63Å; D347-K351 IonicContact OD2-NZ 2.73Å; D347-K351 PolarHBondContact OD2-NZ 3.46Å
348	T	37.3	Very low	35.4	Very low	87 Å²	87	104 Å²	104	53%	0.534	60%	0.597	S	S	.	*	H	α-helix	trans	-69.8	-39	169.9	-67.9	0	0	0	0	112.3	R344 A345 F346 K351 A352	R344-T348 WeakPolarHBondContact O-CB 3.16Å; R344-T348 PolarHBondContact O-N 3.34Å; R344-T348 PolarHBondContact O-OG1 3.04Å; R344-T348 VanDerWaalsContact O-OG1 3.04Å; A345-T348 PolarHBondContact O-N 3.44Å; F346-T348 VanDerWaalsContact C-N 3.32Å; F346-T348 PolarHBondContact O-N 3.21Å; T348-K351 PolarHBondContact O-N 3.11Å; T348-A352 WeakPolarHBondContact O-CB 3.46Å; T348-A352 PolarHBondContact O-N 3.02Å
349	L	36.5	Very low	35	Very low	109 Å²	109	104.7 Å²	104.7	57%	0.571	60%	0.601	S	S	*	*	H	α-helix	trans	-65.3	-42.6	171.5	-77.3	165.2	0	0	0	111.8	A345 F346 K351 A352 L353	A345-L349 PolarHBondContact O-N 3.48Å; A345-L349 VanDerWaalsContact O-N 3.14Å; F346-L349 HydrophobicContact CD1-CD1 4.49Å; F346-L349 PolarHBondContact O-N 2.84Å; L349-K351 VanDerWaalsContact C-N 3.29Å; L349-K351 PolarHBondContact O-N 3.49Å; L349-A352 PolarHBondContact O-N 2.83Å; L349-L353 PolarHBondContact O-N 2.83Å
350	A	36.4	Very low	34.4	Very low	49 Å²	49	106.7 Å²	106.7	41%	0.405	61%	0.611	S	S	.	*	H	α-helix	trans	-63	-33.5	176.5	0	0	0	0	0	112.8	F346 N354	F346-A350 WeakPolarHBondContact O-CB 3.18Å; F346-A350 PolarHBondContact O-N 3.37Å; A350-N354 PolarHBondContact O-ND2 2.97Å
351	K	33.9	Very low	33.7	Very low	127 Å²	127	109.3 Å²	109.3	55%	0.552	63%	0.63	S	S	*	*	H	α-helix	trans	-78.6	-34.8	174.3	-77.6	164.3	178.2	156.5	0	113.5	D347 T348 L349 L353 N354	D347-K351 WeakPolarHBondContact O-CB 3.38Å; D347-K351 WeakPolarHBondContact O-CD 3.47Å; D347-K351 WeakPolarHBondContact O-CG 3.41Å; D347-K351 PolarHBondContact O-N 3.03Å; D347-K351 IonicContact OD1-NZ 2.63Å; D347-K351 IonicContact OD2-NZ 2.73Å; D347-K351 PolarHBondContact OD2-NZ 3.46Å; T348-K351 PolarHBondContact O-N 3.11Å; L349-K351 VanDerWaalsContact C-N 3.29Å; L349-K351 PolarHBondContact O-N 3.49Å; K351-L353 PolarHBondContact O-N 3.44Å; K351-N354 CarbonylContact O-C 3.47Å; K351-N354 PolarHBondContact O-N 2.9Å
352	A	35.3	Very low	33.2	Very low	74 Å²	74	109.6 Å²	109.6	61%	0.612	64%	0.642	S	S	*	*	H	α-helix	trans	-63	-23.2	173.7	0	0	0	0	0	112.8	T348 L349	T348-A352 WeakPolarHBondContact O-CB 3.46Å; T348-A352 PolarHBondContact O-N 3.02Å; L349-A352 PolarHBondContact O-N 2.83Å
353	L	36.5	Very low	32.8	Very low	146 Å²	146	109.8 Å²	109.8	76%	0.764	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	1.4	173.4	-64.8	171.7	0	0	0	114	L349 K351	L349-L353 PolarHBondContact O-N 2.83Å; K351-L353 PolarHBondContact O-N 3.44Å
354	N	40.1	Very low	31.9	Very low	129 Å²	129	113.8 Å²	113.8	69%	0.69	67%	0.669	S	S	*	*			trans	-138.8	68.5	-173.5	-76.3	-78.3	0	0	0	113.6	A350 K351	A350-N354 PolarHBondContact O-ND2 2.97Å; K351-N354 CarbonylContact O-C 3.47Å; K351-N354 PolarHBondContact O-N 2.9Å
355	T	25.2	Very low	31.8	Very low	118 Å²	118	110.1 Å²	110.1	72%	0.724	67%	0.673	S	S	*	*			trans	-146.8	125.7	166.4	55.9	0	0	0	0	109.1
356	T	29	Very low	31.4	Very low	119 Å²	119	115.9 Å²	115.9	73%	0.73	70%	0.696	S	S	*	*	S	Bend	cis	-133.1	176.5	-3.6	61.5	0	0	0	0	108.1
357	D	26.3	Very low	30.7	Very low	143 Å²	143	112.4 Å²	112.4	77%	0.765	70%	0.699	S	S	*	*			cis	-148	159.9	21.5	-111.6	-60.5	0	0	0	112.4
358	S	25.3	Very low	30.3	Very low	115 Å²	115	117 Å²	117	80%	0.804	72%	0.722	S	S	*	*			trans	-124.5	98.7	173.3	65	0	0	0	0	111.7
359	S	27	Very low	29.8	Very low	103 Å²	103	119.8 Å²	119.8	72%	0.72	73%	0.734	S	S	*	*			trans	-149.9	139.2	164.3	61.1	0	0	0	0	113.2
360	S	23.9	Very low	29.4	Very low	110 Å²	110	121.7 Å²	121.7	77%	0.769	75%	0.75	S	S	*	*			trans	49.1	114.7	168.7	52.2	0	0	0	0	119.5
361	S	23.9	Very low	29.1	Very low	118 Å²	118	125.3 Å²	125.3	83%	0.825	77%	0.772	S	S	*	*			trans	-58.3	150.4	147.2	-39.6	0	0	0	0	110
362	P	26.2	Very low	29.1	Very low	119 Å²	119	123.4 Å²	123.4	77%	0.773	79%	0.789	S	S	*	*				-137.7	164.6	92.5	38.5	-28	0	0	0	114.5
363	S	31.5	Very low	28.8	Very low	112 Å²	112	123.4 Å²	123.4	78%	0.783	80%	0.796	S	S	*	*			trans	-70.8	135.3	173	53.6	0	0	0	0	112.8
364	L	26	Very low	28.6	Very low	181 Å²	181	118.6 Å²	118.6	95%	0.948	78%	0.782	S	S	*	*			trans	-158.7	165.5	148.6	-107.7	164.8	0	0	0	108.6
365	A	35	Very low	28.3	Very low	84 Å²	84	114.8 Å²	114.8	69%	0.694	77%	0.765	S	S	*	*			trans	-122.4	137.7	-177.5	0	0	0	0	0	110.9
366	D	27.2	Very low	29.1	Very low	179 Å²	179	112.3 Å²	112.3	96%	0.957	75%	0.747	S	S	*	*			trans	-165.6	166.8	139	-103.5	-33.7	0	0	0	108.1
367	G	26.9	Very low	29.5	Very low	65 Å²	65	112 Å²	112	67%	0.67	74%	0.737	S	S	*	*			trans	-129.9	173.6	-179.4	0	0	0	0	0	112.7
368	I	28	Very low	29.9	Very low	169 Å²	169	109.5 Å²	109.5	87%	0.867	73%	0.727	S	S	*	*			trans	-164	156.3	156.9	-108.5	155.9	0	0	0	110.2
369	D	26.7	Very low	30.4	Very low	147 Å²	147	109.4 Å²	109.4	79%	0.786	72%	0.716	S	S	*	*			trans	-71.4	152.5	-164.1	-45.8	-85.7	0	0	0	115.9
370	T	27.4	Very low	30.4	Very low	149 Å²	149	110 Å²	110	91%	0.914	72%	0.72	S	S	*	*			trans	-133.5	148.4	147.8	39.4	0	0	0	0	109.3
371	S	29.9	Very low	30.9	Very low	124 Å²	124	114.6 Å²	114.6	87%	0.867	72%	0.72	S	S	*	*			trans	-106.3	145.5	-157.4	48.1	0	0	0	0	114.7
372	G	34.4	Very low	31.1	Very low	87 Å²	87	115.7 Å²	115.7	90%	0.897	72%	0.717	S	S	*	*			trans	98.1	57.3	158.5	0	0	0	0	0	117.5
373	G	29.3	Very low	31.7	Very low	75 Å²	75	120 Å²	120	77%	0.773	73%	0.727	S	S	*	*			trans	-149.3	142.1	166.8	0	0	0	0	0	111.5
374	G	31.6	Very low	31.9	Very low	45 Å²	45	119 Å²	119	46%	0.464	72%	0.72	S	S	.	*			trans	-70.8	141.9	179.9	0	0	0	0	0	112.7	E391	G374-E391 WeakPolarHBondContact CA-O 3.32Å
375	S	33	Very low	32.4	Very low	48 Å²	48	114.5 Å²	114.5	34%	0.336	70%	0.7	S	S	.	*			trans	-69.7	133.9	177.8	31.4	0	0	0	0	111.2	E391	S375-E391 PolarHBondContact N-O 3.11Å; S375-E391 PolarHBondContact O-N 3.13Å; S375-E391 WeakPolarHBondContact OG-CB 3.18Å; S375-E391 PolarHBondContact OG-OE2 3.14Å
376	I	42.9	Very low	32.6	Very low	67 Å²	67	114 Å²	114	34%	0.344	69%	0.69	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.1	106	171.4	-62.9	-173.2	0	0	0	108.1	I388 V390 P438 A442	I376-I388 HydrophobicContact CG2-CG2 3.37Å; I376-V390 HydrophobicContact CG1-CG2 4.45Å; I376-P438 HydrophobicContact CD1-CB 3.85Å; I376-A442 HydrophobicContact CD1-CB 4.34Å
377	H	37.2	Very low	33.5	Very low	113 Å²	113	109.6 Å²	109.6	52%	0.523	67%	0.665	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.2	106.5	179.9	-83.1	-62.1	0	0	0	111.7	I379 E389 E391	H377-I379 PolarHBondContact O-N 2.89Å; H377-E389 PolarHBondContact N-O 2.99Å; H377-E391 IonicContact CD2-OE2 3.18Å
378	V	34.7	Very low	35.1	Very low	90 Å²	90	107.4 Å²	107.4	55%	0.545	64%	0.638	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.5	92.4	174.2	-177	0	0	0	0	109.9	S380 P386	V378-S380 PolarHBondContact O-N 2.76Å; V378-P386 HydrophobicContact CG1-CB 4.21Å
379	I	35.4	Very low	36.2	Very low	112 Å²	112	105.4 Å²	105.4	57%	0.574	63%	0.625	S	S	*	*			trans	-83.3	96.2	175.5	-58.1	177.9	0	0	0	109.3	H377 R381	H377-I379 PolarHBondContact O-N 2.89Å; I379-R381 PolarHBondContact O-N 3.25Å
380	S	28.3	Very low	37.6	Very low	115 Å²	115	99.5 Å²	99.5	80%	0.804	59%	0.594	S	S	*	*			trans	-67.8	114.6	174.2	-173.1	0	0	0	0	111.2	V378	V378-S380 PolarHBondContact O-N 2.76Å
381	R	32.4	Very low	38.4	Very low	208 Å²	208	98.1 Å²	98.1	79%	0.785	58%	0.577	S	S	*	*			trans	-149.1	94.4	176.6	-159.4	175.1	-163.8	158.4	9.1	112.6	I379	I379-R381 PolarHBondContact O-N 3.25Å
382	D	29.9	Very low	39.8	Very low	140 Å²	140	94.3 Å²	94.3	75%	0.749	56%	0.558	S	S	*	*	S	Bend	trans	54.2	93.4	165.4	-60.5	-34.1	0	0	0	118.5	S384	D382-S384 VanDerWaalsContact C-N 3.31Å; D382-S384 PolarHBondContact O-N 2.95Å
383	Q	37.7	Very low	41.3	Very low	209 Å²	209	94 Å²	94	98%	0.977	54%	0.54	S	S	*	.	S	Bend	trans	46.8	37.2	149.8	-62.1	-168.4	-1.8	0	0	118.2
384	S	35.5	Very low	43.5	Very low	93 Å²	93	90.7 Å²	90.7	65%	0.65	51%	0.505	S	S	*	.	S	Bend	trans	-140.4	160.7	153.4	49	0	0	0	0	108.7	D382	D382-S384 VanDerWaalsContact C-N 3.31Å; D382-S384 PolarHBondContact O-N 2.95Å
385	T	37.8	Very low	45.8	Very low	86 Å²	86	89.1 Å²	89.1	53%	0.528	49%	0.486	S	S	.	.			trans	-42.8	128.8	-172.6	46	0	0	0	0	112.5	I387	T385-I387 PolarHBondContact O-N 3.36Å
386	P	38.2	Very low	47.7	Very low	74 Å²	74	89.5 Å²	89.5	48%	0.481	49%	0.488	S	S	.	.			trans	-60.3	116	-174.5	25.2	-33.9	0	0	0	110	V378 I388	V378-P386 HydrophobicContact CG1-CB 4.21Å; P386-I388 WeakPolarHBondContact O-CG1 3.49Å; P386-I388 PolarHBondContact O-N 3.49Å
387	I	47.2	Very low	48.9	Very low	85 Å²	85	91.7 Å²	91.7	44%	0.436	50%	0.501	S	S	.	.			trans	-73.4	114.1	177.2	-62.9	168.7	0	0	0	107.2	T385 E389	T385-I387 PolarHBondContact O-N 3.36Å; I387-E389 HydrophobicContact CG2-CG 4.18Å; I387-E389 PolarHBondContact O-N 2.71Å
388	I	58.9	Low	50.2	Low	20 Å²	20	91.3 Å²	91.3	10%	0.103	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	102.9	179.6	-52.8	-170.1	0	0	0	108.6	I376 P386 V390 A442	I376-I388 HydrophobicContact CG2-CG2 3.37Å; P386-I388 WeakPolarHBondContact O-CG1 3.49Å; P386-I388 PolarHBondContact O-N 3.49Å; I388-V390 HydrophobicContact CG2-CG2 4.45Å; I388-A442 HydrophobicContact CD1-CB 3.73Å; I388-A442 WeakPolarHBondContact CD1-O 3.18Å; I388-A442 HydrophobicContact CG2-CB 4.08Å
389	E	51.3	Low	52.2	Low	127 Å²	127	87.7 Å²	87.7	59%	0.593	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	114.1	172.1	-65	-174.6	165.8	0	0	108.5	H377 I387	H377-E389 PolarHBondContact N-O 2.99Å; I387-E389 HydrophobicContact CG2-CG 4.18Å; I387-E389 PolarHBondContact O-N 2.71Å
390	V	55.7	Low	53.9	Low	23 Å²	23	83.6 Å²	83.6	14%	0.139	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	112.2	175.3	177.9	0	0	0	0	107.7	I376 I388 A439 F550 K553	I376-V390 HydrophobicContact CG1-CG2 4.45Å; I388-V390 HydrophobicContact CG2-CG2 4.45Å; V390-A439 HydrophobicContact CG2-CB 4.05Å; V390-F550 HydrophobicContact CG2-CE1 3.86Å; V390-F550 HydrophobicContact CG2-CZ 4.07Å; V390-K553 PolarHBondContact O-NZ 3.23Å
391	E	45.1	Very low	55.6	Low	119 Å²	119	82.2 Å²	82.2	56%	0.556	45%	0.45	S	S	*	.			trans	-94.1	132.4	-177.2	-173.8	173.7	-142.9	0	0	110.3	G374 S375 H377	G374-E391 WeakPolarHBondContact CA-O 3.32Å; S375-E391 PolarHBondContact N-O 3.11Å; S375-E391 PolarHBondContact O-N 3.13Å; S375-E391 WeakPolarHBondContact OG-CB 3.18Å; S375-E391 PolarHBondContact OG-OE2 3.14Å; H377-E391 IonicContact CD2-OE2 3.18Å
392	G	59.4	Low	57.6	Low	44 Å²	44	73.1 Å²	73.1	45%	0.454	42%	0.416	S	S	.	.	S	Bend	trans	94.5	-177.3	-161.2	0	0	0	0	0	112.8	K553	G392-K553 WeakPolarHBondContact O-CE 3.27Å; G392-K553 PolarHBondContact O-NZ 3.25Å
393	P	65.1	Low	59.4	Low	82 Å²	82	74.2 Å²	74.2	53%	0.532	41%	0.414	S	S	.	.			trans	-68.2	159.4	179.8	30.6	-36	0	0	0	112.1	L395 E557	P393-L395 VanDerWaalsContact C-N 3.34Å; P393-L395 WeakPolarHBondContact CB-O 3.45Å; P393-E557 WeakPolarHBondContact CA-OE1 3.44Å
394	L	75.4	Confident	61.2	Low	5 Å²	5	65.1 Å²	65.1	3%	0.026	37%	0.372	C	S	.	.	S	Bend	trans	-71.1	-32.1	176.3	-171.4	69.9	0	0	0	112.1	A439 A530 F534 F550 K553 A554 E557	L394-A439 HydrophobicContact CD1-CB 3.49Å; L394-A439 VanDerWaalsContact CD1-CB 3.49Å; L394-A530 HydrophobicContact CD2-CB 4.4Å; L394-F534 HydrophobicContact CD1-CE2 4.39Å; L394-F534 HydrophobicContact CD2-CD2 4.21Å; L394-F534 HydrophobicContact CD2-CE2 4.02Å; L394-F534 HydrophobicContact CG-CE2 4.46Å; L394-F550 HydrophobicContact CD1-CB 4.49Å; L394-F550 HydrophobicContact CD1-CD1 4.44Å; L394-K553 HydrophobicContact CB-CD 4.26Å; L394-K553 HydrophobicContact CB-CG 4.32Å; L394-K553 HydrophobicContact CD1-CD 4.35Å; L394-A554 HydrophobicContact CD2-CB 3.61Å; L394-E557 VanDerWaalsContact CB-OE2 3.3Å; L394-E557 WeakPolarHBondContact CB-OE2 3.43Å; L394-E557 VanDerWaalsContact N-CD 3.34Å; L394-E557 PolarHBondContact N-OE1 2.98Å; L394-E557 PolarHBondContact N-OE2 2.81Å
395	L	80.6	Confident	62.6	Low	12 Å²	12	64.6 Å²	64.6	6%	0.063	37%	0.365	C	S	.	.	S	Bend	trans	-123.8	141.2	178.5	-59	177.8	0	0	0	110.3	P393 H399 W433 I437 A526 Y527 A530	P393-L395 VanDerWaalsContact C-N 3.34Å; P393-L395 WeakPolarHBondContact CB-O 3.45Å; L395-H399 HydrophobicContact CB-CB 4.35Å; L395-H399 HydrophobicContact CD2-CB 4.18Å; L395-W433 HydrophobicContact CD2-CZ2 4.4Å; L395-I437 HydrophobicContact CD2-CD1 3.82Å; L395-I437 HydrophobicContact CD2-CG1 3.86Å; L395-I437 HydrophobicContact CD2-CG2 4.43Å; L395-A526 HydrophobicContact CD1-CB 3.86Å; L395-Y527 HydrophobicContact CB-CE1 4.49Å; L395-Y527 HydrophobicContact CD1-CD1 3.79Å; L395-Y527 HydrophobicContact CD1-CE1 3.96Å; L395-Y527 HydrophobicContact CD1-CG 4.34Å; L395-Y527 HydrophobicContact CG-CE1 4.36Å; L395-A530 HydrophobicContact CD1-CB 4.23Å
396	S	73.1	Confident	63.9	Low	55 Å²	55	62 Å²	62	39%	0.385	35%	0.348	S	S	.	.			trans	-101.2	162.7	169.1	56	0	0	0	0	111.1	T398 H399	S396-T398 PolarHBondContact O-N 3.24Å; S396-T398 PolarHBondContact OG-OG1 3.34Å; S396-H399 WeakPolarHBondContact O-CB 3.45Å; S396-H399 PolarHBondContact O-N 3.1Å; S396-H399 PolarHBondContact OG-CE1 3.48Å; S396-H399 PolarHBondContact OG-ND1 3.3Å
397	D	68.9	Low	64.9	Low	114 Å²	114	59.9 Å²	59.9	61%	0.61	33%	0.334	S	S	*	.	H	α-helix	trans	-56.2	-24.1	-176.8	-53.1	-40.2	0	0	0	114	H399 V400	D397-H399 VanDerWaalsContact C-N 3.3Å; D397-H399 PolarHBondContact O-N 2.69Å; D397-V400 WeakPolarHBondContact O-CB 3.3Å; D397-V400 PolarHBondContact O-N 3.44Å
398	T	64	Low	64.8	Low	105 Å²	105	61.4 Å²	61.4	64%	0.644	35%	0.352	S	S	*	.	H	α-helix	trans	-62.6	-35.1	172.3	52.1	0	0	0	0	112.7	S396 V400 T401	S396-T398 PolarHBondContact O-N 3.24Å; S396-T398 PolarHBondContact OG-OG1 3.34Å; T398-V400 VanDerWaalsContact C-N 3.25Å; T398-V400 PolarHBondContact O-N 2.78Å; T398-T401 PolarHBondContact O-N 2.74Å
399	H	76.3	Confident	64.3	Low	14 Å²	14	65.9 Å²	65.9	7%	0.065	38%	0.382	C	S	.	.	H	α-helix	trans	-73.6	-14.6	178.4	-65.7	85	0	0	0	113.6	L395 S396 D397 T401 W433 S436 I437	L395-H399 HydrophobicContact CB-CB 4.35Å; L395-H399 HydrophobicContact CD2-CB 4.18Å; S396-H399 WeakPolarHBondContact O-CB 3.45Å; S396-H399 PolarHBondContact O-N 3.1Å; S396-H399 PolarHBondContact OG-CE1 3.48Å; S396-H399 PolarHBondContact OG-ND1 3.3Å; D397-H399 VanDerWaalsContact C-N 3.3Å; D397-H399 PolarHBondContact O-N 2.69Å; H399-T401 VanDerWaalsContact C-N 3.33Å; H399-W433 PolarHBondContact O-NE1 3.45Å; H399-S436 PolarHBondContact CD2-OG 3.1Å; H399-S436 PolarHBondContact NE2-O 3.49Å; H399-S436 PolarHBondContact NE2-OG 2.83Å; H399-I437 PolarHBondContact NE2-N 3.36Å
400	V	71.3	Confident	64.2	Low	25 Å²	25	66.1 Å²	66.1	15%	0.152	39%	0.385	C	S	.	.	H	α-helix	trans	-76.3	-25.7	174.5	-175.4	0	0	0	0	110.9	D397 T398 F402 Y523	D397-V400 WeakPolarHBondContact O-CB 3.3Å; D397-V400 PolarHBondContact O-N 3.44Å; T398-V400 VanDerWaalsContact C-N 3.25Å; T398-V400 PolarHBondContact O-N 2.78Å; V400-F402 PolarHBondContact O-N 2.76Å; V400-Y523 HydrophobicContact CG1-CD1 4.29Å; V400-Y523 HydrophobicContact CG1-CD2 3.85Å; V400-Y523 HydrophobicContact CG1-CE1 4.38Å; V400-Y523 HydrophobicContact CG1-CE2 3.94Å; V400-Y523 HydrophobicContact CG1-CG 4.02Å; V400-Y523 HydrophobicContact CG2-CD1 3.55Å; V400-Y523 HydrophobicContact CG2-CE1 3.59Å; V400-Y523 HydrophobicContact CG2-CG 4.06Å
401	T	64.6	Low	64.3	Low	86 Å²	86	67.6 Å²	67.6	53%	0.528	40%	0.395	S	S	.	.			trans	-82.5	78.3	-175	-58.7	0	0	0	0	111.8	T398 H399 K403	T398-T401 PolarHBondContact O-N 2.74Å; H399-T401 VanDerWaalsContact C-N 3.33Å; T401-K403 HydrophobicContact CG2-CD 3.9Å; T401-K403 HydrophobicContact CG2-CG 3.98Å; T401-K403 PolarHBondContact O-N 2.82Å
402	F	74.4	Confident	64.4	Low	17 Å²	17	70.6 Å²	70.6	8%	0.075	41%	0.409	C	S	.	.			trans	-93.9	81.4	176.5	-162.5	-96.9	0	0	0	111.3	V400 L426 L429 W433 Q466 K529	V400-F402 PolarHBondContact O-N 2.76Å; F402-L426 HydrophobicContact CE1-CD1 3.7Å; F402-L426 HydrophobicContact CZ-CD1 3.87Å; F402-L429 HydrophobicContact CD1-CD2 4.21Å; F402-L429 HydrophobicContact CD2-CD2 4.32Å; F402-L429 HydrophobicContact CD2-CG 4.22Å; F402-L429 HydrophobicContact CE1-CD2 3.93Å; F402-L429 HydrophobicContact CE1-CG 4.49Å; F402-L429 HydrophobicContact CE2-CD2 4.04Å; F402-L429 HydrophobicContact CE2-CG 3.76Å; F402-L429 HydrophobicContact CG-CD2 4.4Å; F402-L429 HydrophobicContact CZ-CD2 3.84Å; F402-L429 HydrophobicContact CZ-CG 3.91Å; F402-W433 HydrophobicContact CD2-CG 4.31Å; F402-W433 HydrophobicContact CE2-CB 4.29Å; F402-W433 HydrophobicContact CE2-CG 4.42Å; F402-Q466 VanDerWaalsContact CD1-OE1 3.28Å; F402-K529 VanDerWaalsContact CD1-NZ 3.3Å; F402-K529 VanDerWaalsContact CE2-NZ 3.28Å
403	K	67.5	Low	64.3	Low	163 Å²	163	77.6 Å²	77.6	71%	0.709	42%	0.423	S	S	*	.			trans	-104.8	115.9	-178.3	-69.7	-179.1	178.6	176.5	0	111.5	T401	T401-K403 HydrophobicContact CG2-CD 3.9Å; T401-K403 HydrophobicContact CG2-CG 3.98Å; T401-K403 PolarHBondContact O-N 2.82Å
404	L	74.7	Confident	64.2	Low	18 Å²	18	76.1 Å²	76.1	9%	0.094	41%	0.41	C	S	.	.			trans	-89.6	117.7	172.3	-178.3	65.4	0	0	0	110.4	M406 R425 L426 L429 C467 M471	L404-M406 HydrophobicContact CD2-SD 3.72Å; L404-M406 HydrophobicContact CG-SD 4.1Å; L404-R425 HydrophobicContact CD1-CB 3.79Å; L404-L426 HydrophobicContact CD1-CB 4.31Å; L404-L426 HydrophobicContact CD2-CB 4.27Å; L404-L426 HydrophobicContact CD2-CD1 4.49Å; L404-L429 HydrophobicContact CB-CD2 4.2Å; L404-L429 HydrophobicContact CD1-CD2 4.3Å; L404-C467 HydrophobicContact CB-CB 4.48Å; L404-C467 HydrophobicContact CD2-CB 4.17Å; L404-M471 HydrophobicContact CD2-CE 3.64Å
405	T	65.8	Low	63.9	Low	82 Å²	82	79.8 Å²	79.8	50%	0.503	43%	0.43	S	S	.	.			trans	-85.5	112.5	170.2	-53.7	0	0	0	0	109.3	R425 I624	T405-R425 WeakPolarHBondContact O-CD 3.45Å; T405-I624 HydrophobicContact CG2-CG2 4.37Å
406	M	65.4	Low	63.5	Low	33 Å²	33	82.9 Å²	82.9	16%	0.163	45%	0.449	C	S	.	.			trans	-78.8	149.7	174.2	-61.3	-65.4	-68.6	0	0	110.6	L404 Y418 S422 V470 M471	L404-M406 HydrophobicContact CD2-SD 3.72Å; L404-M406 HydrophobicContact CG-SD 4.1Å; M406-Y418 HydrophobicContact CE-CE1 3.83Å; M406-Y418 VanDerWaalsContact CE-OH 3.29Å; M406-Y418 WeakPolarHBondContact CE-OH 3.26Å; M406-S422 WeakPolarHBondContact CE-OG 3.28Å; M406-V470 HydrophobicContact CG-CG1 3.74Å; M406-M471 HydrophobicContact CE-CB 4.46Å; M406-M471 HydrophobicContact CE-CG 3.93Å; M406-M471 HydrophobicContact SD-CG 4.27Å
407	P	58.6	Low	63.5	Low	29 Å²	29	84.6 Å²	84.6	19%	0.188	45%	0.451	C	S	.	.			trans	-69.2	142.5	173.9	28.6	-28.9	0	0	0	110.1	Y418	P407-Y418 HydrophobicContact CG-CD2 3.93Å; P407-Y418 HydrophobicContact CG-CE2 3.64Å
408	S	45	Very low	63.9	Low	117 Å²	117	79.9 Å²	79.9	82%	0.818	43%	0.425	S	S	*	.	S	Bend	trans	-124.1	140.5	-173.6	-173.9	0	0	0	0	110.4
409	P	48.1	Very low	64.7	Low	113 Å²	113	75.3 Å²	75.3	73%	0.734	40%	0.397	S	S	*	.	S	Bend	cis	-71.1	155.6	-1.3	31.1	-36.1	0	0	0	112.7	P411	P409-P411 WeakPolarHBondContact O-CD 3.47Å
410	M	49.7	Very low	64.8	Low	133 Å²	133	74.9 Å²	74.9	66%	0.655	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-64.1	125.8	167.5	-173.6	172.6	73.9	0	0	108.7
411	P	57.5	Low	65.2	Low	53 Å²	53	74.9 Å²	74.9	34%	0.344	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-59.9	143.5	-178.4	-27.1	36.1	0	0	0	113.2	P409 Y413 Y418	P409-P411 WeakPolarHBondContact O-CD 3.47Å; P411-Y413 WeakPolarHBondContact CB-O 3.44Å; P411-Y413 PolarHBondContact O-N 3.46Å; P411-Y418 VanDerWaalsContact CD-CD2 3.44Å; P411-Y418 HydrophobicContact CG-CD2 3.66Å; P411-Y418 HydrophobicContact CG-CE2 4.11Å; P411-Y418 HydrophobicContact CG-CG 4.14Å
412	E	46.5	Very low	66	Low	182 Å²	182	70.9 Å²	70.9	85%	0.85	37%	0.368	S	S	*	.	S	Bend	trans	-58.9	-27.4	172.5	-73.6	-172.1	127.5	0	0	112.8
413	Y	56.9	Low	66.5	Low	192 Å²	192	70 Å²	70	75%	0.753	37%	0.365	S	S	*	.	S	Bend	trans	-129.6	130.4	177.3	-57.9	-84.9	0	0	0	109.8	P411 N415	P411-Y413 WeakPolarHBondContact CB-O 3.44Å; P411-Y413 PolarHBondContact O-N 3.46Å; Y413-N415 PolarHBondContact O-N 3.11Å
414	L	64	Low	67.3	Low	50 Å²	50	62.8 Å²	62.8	26%	0.262	34%	0.335	S	S	.	.			trans	-69.6	101.3	-176.2	-168	95.3	0	0	0	111.4	Y418 I419 I476 A479	L414-Y418 HydrophobicContact CD1-CD1 4.04Å; L414-Y418 HydrophobicContact CD1-CE1 4.36Å; L414-I419 HydrophobicContact CD2-CD1 3.65Å; L414-I419 HydrophobicContact CD2-CG1 3.82Å; L414-I419 HydrophobicContact CG-CD1 4.35Å; L414-I419 HydrophobicContact CG-CG1 4.15Å; L414-I476 HydrophobicContact CD1-CG1 3.93Å; L414-I476 HydrophobicContact CD2-CB 4.32Å; L414-I476 HydrophobicContact CD2-CG1 3.99Å; L414-A479 HydrophobicContact CD2-CB 3.49Å; L414-A479 VanDerWaalsContact CD2-CB 3.49Å
415	N	68.8	Low	67.8	Low	83 Å²	83	64.5 Å²	64.5	44%	0.444	34%	0.34	S	S	.	.			trans	-82.5	143.1	178.5	-170.4	-18.7	0	0	0	111.1	Y413 H417 Y418 I419	Y413-N415 PolarHBondContact O-N 3.11Å; N415-H417 PolarHBondContact O-N 3.34Å; N415-H417 PolarHBondContact OD1-CD2 3.43Å; N415-H417 PolarHBondContact OD1-N 3.43Å; N415-H417 VanDerWaalsContact OD1-N 3.11Å; N415-Y418 WeakPolarHBondContact O-CB 3.4Å; N415-Y418 PolarHBondContact O-N 2.97Å; N415-I419 PolarHBondContact O-N 3.29Å
416	V	71.6	Confident	68.8	Low	76 Å²	76	60.6 Å²	60.6	46%	0.461	32%	0.316	S	S	.	.	H	α-helix	trans	-52.1	-39.7	171.6	179.6	0	0	0	0	111.3	Y418 I419 C420	V416-Y418 VanDerWaalsContact C-N 3.34Å; V416-Y418 PolarHBondContact O-N 3.04Å; V416-I419 WeakPolarHBondContact O-CB 3.27Å; V416-I419 PolarHBondContact O-N 3.48Å; V416-C420 PolarHBondContact O-N 3.11Å; V416-C420 PolarHBondContact O-SG 2.83Å
417	H	73.7	Confident	69.9	Low	91 Å²	91	59 Å²	59	42%	0.421	31%	0.308	S	S	.	.	H	α-helix	trans	-59.1	-42	175	-68.3	-73.1	0	0	0	112.7	N415 I419 C420 E421	N415-H417 PolarHBondContact O-N 3.34Å; N415-H417 PolarHBondContact OD1-CD2 3.43Å; N415-H417 PolarHBondContact OD1-N 3.43Å; N415-H417 VanDerWaalsContact OD1-N 3.11Å; H417-I419 PolarHBondContact O-N 3.45Å; H417-C420 PolarHBondContact O-N 2.75Å; H417-E421 WeakPolarHBondContact O-CB 3.46Å; H417-E421 PolarHBondContact O-N 3.48Å
418	Y	78.4	Confident	71.2	Confident	16 Å²	16	57.8 Å²	57.8	6%	0.063	30%	0.3	C	S	.	.	H	α-helix	trans	-65.7	-37.4	178	-178.2	-90.2	0	0	0	111.9	M406 P407 P411 L414 N415 V416 S422	M406-Y418 HydrophobicContact CE-CE1 3.83Å; M406-Y418 VanDerWaalsContact CE-OH 3.29Å; M406-Y418 WeakPolarHBondContact CE-OH 3.26Å; P407-Y418 HydrophobicContact CG-CD2 3.93Å; P407-Y418 HydrophobicContact CG-CE2 3.64Å; P411-Y418 VanDerWaalsContact CD-CD2 3.44Å; P411-Y418 HydrophobicContact CG-CD2 3.66Å; P411-Y418 HydrophobicContact CG-CE2 4.11Å; P411-Y418 HydrophobicContact CG-CG 4.14Å; L414-Y418 HydrophobicContact CD1-CD1 4.04Å; L414-Y418 HydrophobicContact CD1-CE1 4.36Å; N415-Y418 WeakPolarHBondContact O-CB 3.4Å; N415-Y418 PolarHBondContact O-N 2.97Å; V416-Y418 VanDerWaalsContact C-N 3.34Å; V416-Y418 PolarHBondContact O-N 3.04Å; Y418-S422 VanDerWaalsContact O-CB 3.22Å; Y418-S422 WeakPolarHBondContact O-CB 3.5Å; Y418-S422 PolarHBondContact O-N 2.85Å; Y418-S422 PolarHBondContact O-OG 3.17Å
419	I	79.6	Confident	73.2	Confident	9 Å²	9	53.8 Å²	53.8	5%	0.046	27%	0.269	C	S	.	.	H	α-helix	trans	-61.4	-54.1	173.4	-59.5	163.9	0	0	0	109.7	L414 N415 V416 H417 E421 S422 A423 I476 I480 F595	L414-I419 HydrophobicContact CD2-CD1 3.65Å; L414-I419 HydrophobicContact CD2-CG1 3.82Å; L414-I419 HydrophobicContact CG-CD1 4.35Å; L414-I419 HydrophobicContact CG-CG1 4.15Å; N415-I419 PolarHBondContact O-N 3.29Å; V416-I419 WeakPolarHBondContact O-CB 3.27Å; V416-I419 PolarHBondContact O-N 3.48Å; H417-I419 PolarHBondContact O-N 3.45Å; I419-E421 PolarHBondContact O-N 3.24Å; I419-S422 PolarHBondContact O-N 3.24Å; I419-A423 WeakPolarHBondContact O-CB 3.26Å; I419-A423 PolarHBondContact O-N 2.97Å; I419-I476 HydrophobicContact CD1-CG2 4.19Å; I419-I476 HydrophobicContact CG1-CG1 4.34Å; I419-I476 HydrophobicContact CG1-CG2 4.03Å; I419-I476 HydrophobicContact CG2-CG2 3.85Å; I419-I480 HydrophobicContact CD1-CD1 4.37Å; I419-I480 HydrophobicContact CD1-CG1 4.19Å; I419-F595 HydrophobicContact CG2-CD1 3.99Å; I419-F595 HydrophobicContact CG2-CE1 4.46Å
420	C	77.9	Confident	75.2	Confident	4 Å²	4	48.6 Å²	48.6	3%	0.027	24%	0.236	C	C	.	.	H	α-helix	trans	-63.9	-39.1	-177.4	-61.9	0	0	0	0	112.7	V416 H417 S424 F595 L599	V416-C420 PolarHBondContact O-N 3.11Å; V416-C420 PolarHBondContact O-SG 2.83Å; H417-C420 PolarHBondContact O-N 2.75Å; C420-S424 VanDerWaalsContact O-CB 3.25Å; C420-S424 WeakPolarHBondContact O-CB 3.36Å; C420-S424 PolarHBondContact O-N 3.23Å; C420-S424 PolarHBondContact O-OG 3.06Å; C420-F595 WeakPolarHBondContact CA-O 3.34Å; C420-L599 HydrophobicContact CB-CB 3.85Å; C420-L599 HydrophobicContact CB-CD1 3.81Å; C420-L599 HydrophobicContact CB-CG 4.5Å
421	E	80.5	Confident	77.1	Confident	26 Å²	26	42.3 Å²	42.3	12%	0.121	20%	0.204	C	C	.	.	H	α-helix	trans	-66.3	-41.4	177.3	-164.2	-164.2	145.3	0	0	111.3	H417 I419 S424 R425	H417-E421 WeakPolarHBondContact O-CB 3.46Å; H417-E421 PolarHBondContact O-N 3.48Å; I419-E421 PolarHBondContact O-N 3.24Å; E421-S424 PolarHBondContact O-N 3.18Å; E421-R425 PolarHBondContact O-N 3.14Å; E421-R425 IonicContact OE1-CZ 2.79Å; E421-R425 IonicContact OE1-NH1 3.51Å; E421-R425 PolarHBondContact OE1-NH1 2.89Å; E421-R425 IonicContact OE1-NH2 3.58Å; E421-R425 PolarHBondContact OE1-NH2 3.17Å
422	S	81.6	Confident	78.5	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.007	19%	0.191	C	C	.	.	H	α-helix	trans	-69.1	-41.9	176.9	-57.9	0	0	0	0	112.3	M406 Y418 I419 S424 R425 L426	M406-S422 WeakPolarHBondContact CE-OG 3.28Å; Y418-S422 VanDerWaalsContact O-CB 3.22Å; Y418-S422 WeakPolarHBondContact O-CB 3.5Å; Y418-S422 PolarHBondContact O-N 2.85Å; Y418-S422 PolarHBondContact O-OG 3.17Å; I419-S422 PolarHBondContact O-N 3.24Å; S422-S424 VanDerWaalsContact C-N 3.35Å; S422-R425 PolarHBondContact O-N 2.97Å; S422-L426 WeakPolarHBondContact O-CB 3.4Å; S422-L426 PolarHBondContact O-N 3.24Å
423	A	85.3	Confident	80.5	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.4	-39.1	173	0	0	0	0	0	111.9	I419 L426 L427 F460 F595 F596	I419-A423 WeakPolarHBondContact O-CB 3.26Å; I419-A423 PolarHBondContact O-N 2.97Å; A423-L426 PolarHBondContact O-N 3.01Å; A423-L427 WeakPolarHBondContact O-CB 3.45Å; A423-L427 PolarHBondContact O-N 2.91Å; A423-F460 HydrophobicContact CB-CE2 4.26Å; A423-F460 HydrophobicContact CB-CZ 4.07Å; A423-F595 HydrophobicContact CB-CB 3.82Å; A423-F595 HydrophobicContact CB-CD1 4.04Å; A423-F595 HydrophobicContact CB-CG 4.29Å; A423-F596 HydrophobicContact CB-CE1 4.03Å; A423-F596 HydrophobicContact CB-CE2 4.46Å; A423-F596 HydrophobicContact CB-CZ 3.9Å
424	S	83.8	Confident	82.1	Confident	10 Å²	10	23.6 Å²	23.6	7%	0.07	12%	0.118	C	C	.	.	H	α-helix	trans	-62.3	-47.1	174.8	-61.6	0	0	0	0	111.7	C420 E421 S422 L426 L427 F428	C420-S424 VanDerWaalsContact O-CB 3.25Å; C420-S424 WeakPolarHBondContact O-CB 3.36Å; C420-S424 PolarHBondContact O-N 3.23Å; C420-S424 PolarHBondContact O-OG 3.06Å; E421-S424 PolarHBondContact O-N 3.18Å; S422-S424 VanDerWaalsContact C-N 3.35Å; S424-L426 VanDerWaalsContact C-N 3.33Å; S424-L426 PolarHBondContact O-N 3.09Å; S424-L427 PolarHBondContact O-N 3.41Å; S424-F428 WeakPolarHBondContact O-CD2 3.45Å; S424-F428 PolarHBondContact O-N 3.38Å
425	R	84.2	Confident	83.2	Confident	54 Å²	54	23.9 Å²	23.9	20%	0.204	12%	0.116	C	C	.	.	H	α-helix	trans	-59.7	-42.2	173.7	-74.4	-164.7	-174.9	85.5	2.3	112.2	L404 T405 E421 S422 F428 L429 Y620	L404-R425 HydrophobicContact CD1-CB 3.79Å; T405-R425 WeakPolarHBondContact O-CD 3.45Å; E421-R425 PolarHBondContact O-N 3.14Å; E421-R425 IonicContact OE1-CZ 2.79Å; E421-R425 IonicContact OE1-NH1 3.51Å; E421-R425 PolarHBondContact OE1-NH1 2.89Å; E421-R425 IonicContact OE1-NH2 3.58Å; E421-R425 PolarHBondContact OE1-NH2 3.17Å; S422-R425 PolarHBondContact O-N 2.97Å; R425-F428 PolarHBondContact O-N 3.1Å; R425-L429 VanDerWaalsContact O-CB 3.25Å; R425-L429 WeakPolarHBondContact O-CB 3.38Å; R425-L429 PolarHBondContact O-N 3.28Å; R425-Y620 PolarHBondContact O-OH 3.31Å
426	L	87.6	Confident	84	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.4	-39.1	177	178.2	61.9	0	0	0	112.5	F402 L404 S422 A423 S424 S430 F460 L464 M471	F402-L426 HydrophobicContact CE1-CD1 3.7Å; F402-L426 HydrophobicContact CZ-CD1 3.87Å; L404-L426 HydrophobicContact CD1-CB 4.31Å; L404-L426 HydrophobicContact CD2-CB 4.27Å; L404-L426 HydrophobicContact CD2-CD1 4.49Å; S422-L426 WeakPolarHBondContact O-CB 3.4Å; S422-L426 PolarHBondContact O-N 3.24Å; A423-L426 PolarHBondContact O-N 3.01Å; S424-L426 VanDerWaalsContact C-N 3.33Å; S424-L426 PolarHBondContact O-N 3.09Å; L426-S430 WeakPolarHBondContact O-CB 3.49Å; L426-S430 PolarHBondContact O-N 3.42Å; L426-S430 PolarHBondContact O-OG 3.27Å; L426-F460 HydrophobicContact CB-CE2 4.15Å; L426-F460 HydrophobicContact CD2-CD2 4.07Å; L426-F460 HydrophobicContact CD2-CE2 3.72Å; L426-F460 HydrophobicContact CD2-CZ 4.19Å; L426-F460 HydrophobicContact CG-CD2 4.08Å; L426-F460 HydrophobicContact CG-CE2 3.96Å; L426-L464 HydrophobicContact CD2-CB 3.89Å; L426-L464 HydrophobicContact CD2-CD1 3.63Å; L426-L464 HydrophobicContact CD2-CG 4.4Å; L426-M471 HydrophobicContact CB-CE 3.85Å; L426-M471 HydrophobicContact CD2-CE 3.62Å; L426-M471 HydrophobicContact CG-CE 4.32Å
427	L	88.8	Confident	84.8	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.8	-53.8	174.9	-176.5	69.2	0	0	0	110.7	L310 A423 S424 L429 S430 M431 W456 F460 F596 I605 I612	L310-L427 HydrophobicContact CD1-CD2 4.4Å; A423-L427 WeakPolarHBondContact O-CB 3.45Å; A423-L427 PolarHBondContact O-N 2.91Å; S424-L427 PolarHBondContact O-N 3.41Å; L427-L429 VanDerWaalsContact C-N 3.32Å; L427-L429 PolarHBondContact O-N 2.68Å; L427-S430 WeakPolarHBondContact O-CA 3.33Å; L427-S430 WeakPolarHBondContact O-CB 3.49Å; L427-S430 PolarHBondContact O-N 2.95Å; L427-M431 HydrophobicContact CD1-CE 4.15Å; L427-M431 HydrophobicContact CD1-CG 4.42Å; L427-M431 HydrophobicContact CD1-SD 4.44Å; L427-M431 HydrophobicContact CG-CG 4.39Å; L427-M431 VanDerWaalsContact O-CG 3.32Å; L427-M431 WeakPolarHBondContact O-CG 3.39Å; L427-M431 PolarHBondContact O-N 2.93Å; L427-W456 HydrophobicContact CD1-CE3 4.1Å; L427-F460 HydrophobicContact CB-CD2 4.35Å; L427-F460 HydrophobicContact CD1-CD2 4.42Å; L427-F596 HydrophobicContact CB-CE1 4.28Å; L427-F596 HydrophobicContact CB-CZ 4.11Å; L427-F596 HydrophobicContact CD2-CE1 3.97Å; L427-F596 HydrophobicContact CD2-CZ 4.1Å; L427-I605 HydrophobicContact CD1-CG2 4.37Å; L427-I605 HydrophobicContact CD2-CD1 3.81Å; L427-I605 HydrophobicContact CD2-CG2 4.05Å; L427-I612 HydrophobicContact CD2-CD1 4.11Å; L427-I612 HydrophobicContact CG-CD1 4.49Å
428	F	86.6	Confident	85.3	Confident	4 Å²	4	16.7 Å²	16.7	2%	0.018	9%	0.085	C	C	.	.	H	α-helix	trans	-54.6	-45.6	176.7	-93.5	-94.5	0	0	0	112.2	T309 L310 S424 R425 S430 M431 H432 I612 M615 Y620	T309-F428 HydrophobicContact CG2-CE1 4.08Å; T309-F428 HydrophobicContact CG2-CE2 4.47Å; T309-F428 HydrophobicContact CG2-CZ 3.87Å; L310-F428 HydrophobicContact CB-CE2 4Å; L310-F428 HydrophobicContact CD1-CD2 4.44Å; L310-F428 HydrophobicContact CD1-CE2 3.96Å; L310-F428 HydrophobicContact CG-CE2 4.07Å; S424-F428 WeakPolarHBondContact O-CD2 3.45Å; S424-F428 PolarHBondContact O-N 3.38Å; R425-F428 PolarHBondContact O-N 3.1Å; F428-S430 VanDerWaalsContact C-N 3.32Å; F428-S430 PolarHBondContact O-N 3.17Å; F428-M431 PolarHBondContact O-N 3.4Å; F428-H432 AromaticContact CD1-NE2 3.84Å; F428-H432 WeakPolarHBondContact O-CB 3.26Å; F428-H432 PolarHBondContact O-CD2 3.1Å; F428-H432 PolarHBondContact O-N 3.12Å; F428-I612 HydrophobicContact CD1-CG2 3.78Å; F428-I612 HydrophobicContact CE1-CB 4.43Å; F428-I612 HydrophobicContact CE1-CG1 4.16Å; F428-I612 HydrophobicContact CE1-CG2 3.9Å; F428-I612 HydrophobicContact CE2-CD1 4.32Å; F428-I612 HydrophobicContact CE2-CG1 4.19Å; F428-I612 HydrophobicContact CG-CG2 4.21Å; F428-I612 HydrophobicContact CZ-CG1 3.89Å; F428-I612 HydrophobicContact CZ-CG2 4.43Å; F428-M615 HydrophobicContact CE1-CE 4.4Å; F428-M615 HydrophobicContact CE1-SD 3.77Å; F428-M615 HydrophobicContact CZ-SD 4.01Å; F428-Y620 HydrophobicContact CB-CD2 4.07Å; F428-Y620 HydrophobicContact CB-CE2 3.63Å; F428-Y620 HydrophobicContact CD1-CD2 4.07Å; F428-Y620 HydrophobicContact CD1-CE2 4.44Å; F428-Y620 HydrophobicContact CG-CD2 4.22Å; F428-Y620 HydrophobicContact CG-CE2 4.14Å
429	L	87.2	Confident	85.7	Confident	33 Å²	33	16 Å²	16	17%	0.173	8%	0.082	C	C	.	.	H	α-helix	trans	-59.4	-41.7	175.3	-178.4	63.7	0	0	0	112	F402 L404 R425 L427 W433	F402-L429 HydrophobicContact CD1-CD2 4.21Å; F402-L429 HydrophobicContact CD2-CD2 4.32Å; F402-L429 HydrophobicContact CD2-CG 4.22Å; F402-L429 HydrophobicContact CE1-CD2 3.93Å; F402-L429 HydrophobicContact CE1-CG 4.49Å; F402-L429 HydrophobicContact CE2-CD2 4.04Å; F402-L429 HydrophobicContact CE2-CG 3.76Å; F402-L429 HydrophobicContact CG-CD2 4.4Å; F402-L429 HydrophobicContact CZ-CD2 3.84Å; F402-L429 HydrophobicContact CZ-CG 3.91Å; L404-L429 HydrophobicContact CB-CD2 4.2Å; L404-L429 HydrophobicContact CD1-CD2 4.3Å; R425-L429 VanDerWaalsContact O-CB 3.25Å; R425-L429 WeakPolarHBondContact O-CB 3.38Å; R425-L429 PolarHBondContact O-N 3.28Å; L427-L429 VanDerWaalsContact C-N 3.32Å; L427-L429 PolarHBondContact O-N 2.68Å; L429-W433 WeakPolarHBondContact O-CB 3.04Å; L429-W433 PolarHBondContact O-N 3.13Å
430	S	89.5	Confident	86.1	Confident	4 Å²	4	15.7 Å²	15.7	3%	0.028	8%	0.081	C	C	.	.	H	α-helix	trans	-67.7	-40.5	178.1	-56	0	0	0	0	112.4	L426 L427 F428 A434	L426-S430 WeakPolarHBondContact O-CB 3.49Å; L426-S430 PolarHBondContact O-N 3.42Å; L426-S430 PolarHBondContact O-OG 3.27Å; L427-S430 WeakPolarHBondContact O-CA 3.33Å; L427-S430 WeakPolarHBondContact O-CB 3.49Å; L427-S430 PolarHBondContact O-N 2.95Å; F428-S430 VanDerWaalsContact C-N 3.32Å; F428-S430 PolarHBondContact O-N 3.17Å; S430-A434 PolarHBondContact O-N 2.86Å; S430-A434 VanDerWaalsContact O-N 3.1Å
431	M	89.4	Confident	86.5	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-71.5	-41.5	179	-59.1	-56.4	90.9	0	0	111.8	L427 F428 A434 R435 V452 W456 L459 I609 I612 L613	L427-M431 HydrophobicContact CD1-CE 4.15Å; L427-M431 HydrophobicContact CD1-CG 4.42Å; L427-M431 HydrophobicContact CD1-SD 4.44Å; L427-M431 HydrophobicContact CG-CG 4.39Å; L427-M431 VanDerWaalsContact O-CG 3.32Å; L427-M431 WeakPolarHBondContact O-CG 3.39Å; L427-M431 PolarHBondContact O-N 2.93Å; F428-M431 PolarHBondContact O-N 3.4Å; M431-A434 PolarHBondContact O-N 3.36Å; M431-R435 PolarHBondContact O-N 3.38Å; M431-V452 HydrophobicContact CE-CG1 4.1Å; M431-V452 HydrophobicContact SD-CG1 3.25Å; M431-V452 WeakPolarHBondContact SD-CG1 3.33Å; M431-W456 HydrophobicContact CE-CB 4.08Å; M431-W456 HydrophobicContact SD-CB 4.39Å; M431-L459 HydrophobicContact CE-CD1 4.49Å; M431-I609 HydrophobicContact SD-CG1 4.15Å; M431-I612 HydrophobicContact CB-CG2 3.54Å; M431-I612 HydrophobicContact CG-CB 4.48Å; M431-I612 HydrophobicContact CG-CD1 4.49Å; M431-I612 HydrophobicContact CG-CG2 3.79Å; M431-L613 HydrophobicContact CB-CD2 4.48Å
432	H	85.7	Confident	86.7	Confident	16 Å²	16	21 Å²	21	7%	0.074	11%	0.11	C	C	.	.	H	α-helix	trans	-68.3	-34.5	175	-72.9	-43.1	0	0	0	112.5	F428 R435 S436	F428-H432 AromaticContact CD1-NE2 3.84Å; F428-H432 WeakPolarHBondContact O-CB 3.26Å; F428-H432 PolarHBondContact O-CD2 3.1Å; F428-H432 PolarHBondContact O-N 3.12Å; H432-R435 PolarHBondContact O-N 3.49Å; H432-S436 PolarHBondContact O-N 2.93Å
433	W	90.3	Very high	86.7	Confident	18 Å²	18	21.7 Å²	21.7	7%	0.068	11%	0.113	C	C	.	.	H	α-helix	trans	-61.7	-43.7	171.4	176.1	92.3	0	0	0	112	L395 H399 F402 L429 R435 S436 I437 L459 A526 K529 A530 L533	L395-W433 HydrophobicContact CD2-CZ2 4.4Å; H399-W433 PolarHBondContact O-NE1 3.45Å; F402-W433 HydrophobicContact CD2-CG 4.31Å; F402-W433 HydrophobicContact CE2-CB 4.29Å; F402-W433 HydrophobicContact CE2-CG 4.42Å; L429-W433 WeakPolarHBondContact O-CB 3.04Å; L429-W433 PolarHBondContact O-N 3.13Å; W433-R435 VanDerWaalsContact C-N 3.31Å; W433-R435 PolarHBondContact O-N 2.85Å; W433-S436 PolarHBondContact O-N 3.14Å; W433-S436 PolarHBondContact O-OG 3.25Å; W433-S436 VanDerWaalsContact O-OG 3.04Å; W433-I437 HydrophobicContact CE3-CD1 4.26Å; W433-I437 HydrophobicContact CH2-CD1 3.64Å; W433-I437 HydrophobicContact CZ2-CD1 4.02Å; W433-I437 HydrophobicContact CZ3-CD1 3.78Å; W433-L459 HydrophobicContact CZ3-CD2 4.4Å; W433-A526 HydrophobicContact CZ2-CB 4.33Å; W433-K529 HydrophobicContact CE3-CB 4.35Å; W433-K529 HydrophobicContact CE3-CD 4.45Å; W433-K529 HydrophobicContact CH2-CB 3.31Å; W433-K529 HydrophobicContact CH2-CD 4.42Å; W433-K529 HydrophobicContact CZ2-CB 3.95Å; W433-K529 HydrophobicContact CZ2-CD 4.42Å; W433-K529 HydrophobicContact CZ3-CB 3.54Å; W433-K529 HydrophobicContact CZ3-CD 4.42Å; W433-A530 HydrophobicContact CH2-CB 4.39Å; W433-L533 HydrophobicContact CZ3-CD2 4.34Å
434	A	89.8	Confident	86.6	Confident	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-62.2	-41.4	174.1	0	0	0	0	0	111.1	S430 M431 S436 I437 F440 V452 L533	S430-A434 PolarHBondContact O-N 2.86Å; S430-A434 VanDerWaalsContact O-N 3.1Å; M431-A434 PolarHBondContact O-N 3.36Å; A434-S436 PolarHBondContact O-N 3.1Å; A434-I437 PolarHBondContact O-N 2.92Å; A434-F440 WeakPolarHBondContact O-CD1 3.38Å; A434-F440 WeakPolarHBondContact O-CG 3.33Å; A434-V452 HydrophobicContact CB-CG2 4.41Å; A434-L533 HydrophobicContact CB-CD1 4.09Å; A434-L533 HydrophobicContact CB-CD2 3.94Å
435	R	87.1	Confident	86.6	Confident	56 Å²	56	27 Å²	27	21%	0.211	15%	0.146	C	C	.	.	H	α-helix	trans	-65.8	-30.7	178	-167.8	177.6	75.3	173.5	-3.8	114	M431 H432 W433 I437 Q441 L613 M615 T617	M431-R435 PolarHBondContact O-N 3.38Å; H432-R435 PolarHBondContact O-N 3.49Å; W433-R435 VanDerWaalsContact C-N 3.31Å; W433-R435 PolarHBondContact O-N 2.85Å; R435-I437 VanDerWaalsContact C-N 3.26Å; R435-I437 PolarHBondContact O-N 3.13Å; R435-Q441 VanDerWaalsContact O-CG 3.28Å; R435-Q441 WeakPolarHBondContact O-CG 3.41Å; R435-Q441 PolarHBondContact O-NE2 2.71Å; R435-L613 HydrophobicContact CB-CD2 4.29Å; R435-L613 WeakPolarHBondContact CD-O 3.44Å; R435-L613 PolarHBondContact NH1-O 3.37Å; R435-M615 VanDerWaalsContact CZ-O 3.24Å; R435-M615 PolarHBondContact NH1-O 3.49Å; R435-M615 PolarHBondContact NH2-O 3.01Å; R435-T617 PolarHBondContact NH2-OG1 3Å
436	S	85.8	Confident	86.5	Confident	53 Å²	53	30.8 Å²	30.8	37%	0.371	17%	0.17	S	C	.	.	H	α-helix	trans	-73.6	-17.6	-176.8	66	0	0	0	0	113.7	H399 H432 W433 A434 P438	H399-S436 PolarHBondContact CD2-OG 3.1Å; H399-S436 PolarHBondContact NE2-O 3.49Å; H399-S436 PolarHBondContact NE2-OG 2.83Å; H432-S436 PolarHBondContact O-N 2.93Å; W433-S436 PolarHBondContact O-N 3.14Å; W433-S436 PolarHBondContact O-OG 3.25Å; W433-S436 VanDerWaalsContact O-OG 3.04Å; A434-S436 PolarHBondContact O-N 3.1Å; S436-P438 WeakPolarHBondContact O-CD 3.46Å
437	I	88.3	Confident	86.4	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.171	C	C	.	.			trans	-70.7	118.8	-179.7	-60.4	167.6	0	0	0	109.8	L395 H399 W433 A434 R435 A439 F440 Q441 L533 F534	L395-I437 HydrophobicContact CD2-CD1 3.82Å; L395-I437 HydrophobicContact CD2-CG1 3.86Å; L395-I437 HydrophobicContact CD2-CG2 4.43Å; H399-I437 PolarHBondContact NE2-N 3.36Å; W433-I437 HydrophobicContact CE3-CD1 4.26Å; W433-I437 HydrophobicContact CH2-CD1 3.64Å; W433-I437 HydrophobicContact CZ2-CD1 4.02Å; W433-I437 HydrophobicContact CZ3-CD1 3.78Å; A434-I437 PolarHBondContact O-N 2.92Å; R435-I437 VanDerWaalsContact C-N 3.26Å; R435-I437 PolarHBondContact O-N 3.13Å; I437-A439 VanDerWaalsContact C-N 3.29Å; I437-A439 HydrophobicContact CG2-CB 4.08Å; I437-A439 PolarHBondContact O-N 3.5Å; I437-F440 HydrophobicContact CB-CB 4.09Å; I437-F440 HydrophobicContact CG2-CB 4.39Å; I437-F440 WeakPolarHBondContact O-CB 3.25Å; I437-F440 PolarHBondContact O-N 2.97Å; I437-Q441 PolarHBondContact O-N 3.47Å; I437-Q441 VanDerWaalsContact O-N 3.15Å; I437-L533 HydrophobicContact CD1-CD2 3.86Å; I437-F534 HydrophobicContact CG2-CE2 4.42Å; I437-F534 HydrophobicContact CG2-CZ 4.13Å
438	P	84.9	Confident	86.3	Confident	47 Å²	47	31.1 Å²	31.1	31%	0.305	17%	0.172	S	C	.	.	H	α-helix	trans	-61.4	-34.9	-177.2	-25.5	35.7	0	0	0	113.5	I376 S436 F440 Q441 A442	I376-P438 HydrophobicContact CD1-CB 3.85Å; S436-P438 WeakPolarHBondContact O-CD 3.46Å; P438-F440 VanDerWaalsContact C-N 3.29Å; P438-F440 PolarHBondContact O-N 3.47Å; P438-Q441 PolarHBondContact O-N 2.81Å; P438-A442 WeakPolarHBondContact O-CB 3.44Å; P438-A442 PolarHBondContact O-N 3.09Å
439	A	86.6	Confident	86.4	Confident	1 Å²	1	31.5 Å²	31.5	1%	0.008	18%	0.175	C	C	.	.	H	α-helix	trans	-62.8	-33.5	175.4	0	0	0	0	0	112.9	V390 L394 I437 F534 F550	V390-A439 HydrophobicContact CG2-CB 4.05Å; L394-A439 HydrophobicContact CD1-CB 3.49Å; L394-A439 VanDerWaalsContact CD1-CB 3.49Å; I437-A439 VanDerWaalsContact C-N 3.29Å; I437-A439 HydrophobicContact CG2-CB 4.08Å; I437-A439 PolarHBondContact O-N 3.5Å; A439-F534 HydrophobicContact CB-CZ 4.17Å; A439-F550 HydrophobicContact CB-CD1 4.37Å; A439-F550 HydrophobicContact CB-CD2 4.1Å; A439-F550 HydrophobicContact CB-CE1 4.23Å; A439-F550 HydrophobicContact CB-CE2 3.93Å; A439-F550 HydrophobicContact CB-CG 4.32Å; A439-F550 HydrophobicContact CB-CZ 4Å; A439-F550 WeakPolarHBondContact O-CE2 3.22Å
440	F	87.4	Confident	86.5	Confident	3 Å²	3	32.2 Å²	32.2	1%	0.013	18%	0.183	C	C	.	.	H	α-helix	trans	-70.7	-51.5	173.7	176.3	-98.6	0	0	0	110.2	A434 I437 P438 A442 L443 N448 L451 V452 L533 F534 L613	A434-F440 WeakPolarHBondContact O-CD1 3.38Å; A434-F440 WeakPolarHBondContact O-CG 3.33Å; I437-F440 HydrophobicContact CB-CB 4.09Å; I437-F440 HydrophobicContact CG2-CB 4.39Å; I437-F440 WeakPolarHBondContact O-CB 3.25Å; I437-F440 PolarHBondContact O-N 2.97Å; P438-F440 VanDerWaalsContact C-N 3.29Å; P438-F440 PolarHBondContact O-N 3.47Å; F440-A442 PolarHBondContact O-N 3.4Å; F440-L443 PolarHBondContact O-N 3.15Å; F440-N448 HydrophobicContact CD1-CB 4.45Å; F440-N448 WeakPolarHBondContact CD2-OD1 3.36Å; F440-N448 HydrophobicContact CE1-CB 3.71Å; F440-N448 HydrophobicContact CE2-CB 3.81Å; F440-N448 WeakPolarHBondContact CE2-OD1 3.38Å; F440-N448 HydrophobicContact CZ-CB 3.34Å; F440-N448 VanDerWaalsContact O-CG 3.24Å; F440-N448 PolarHBondContact O-ND2 3.38Å; F440-N448 PolarHBondContact O-OD1 2.94Å; F440-L451 HydrophobicContact CD2-CD2 4.28Å; F440-L451 HydrophobicContact CE2-CD2 4.27Å; F440-V452 HydrophobicContact CE2-CG2 3.64Å; F440-V452 HydrophobicContact CZ-CG2 3.43Å; F440-V452 VanDerWaalsContact CZ-CG2 3.43Å; F440-L533 HydrophobicContact CD2-CD1 4.01Å; F440-L533 HydrophobicContact CD2-CD2 4.03Å; F440-L533 HydrophobicContact CD2-CG 4.25Å; F440-L533 HydrophobicContact CE2-CD1 3.89Å; F440-L533 HydrophobicContact CG-CD2 4.47Å; F440-F534 HydrophobicContact CB-CE1 4.19Å; F440-F534 HydrophobicContact CB-CZ 4.06Å; F440-F534 HydrophobicContact CD2-CE1 4.49Å; F440-L613 HydrophobicContact CE1-CD2 4.49Å
441	Q	86.1	Confident	86.5	Confident	113 Å²	113	32 Å²	32	53%	0.528	18%	0.181	S	C	.	.	H	α-helix	trans	-50.8	-38.2	177.2	-63.4	-179.2	6.1	0	0	112.6	R435 I437 P438 L443 G444	R435-Q441 VanDerWaalsContact O-CG 3.28Å; R435-Q441 WeakPolarHBondContact O-CG 3.41Å; R435-Q441 PolarHBondContact O-NE2 2.71Å; I437-Q441 PolarHBondContact O-N 3.47Å; I437-Q441 VanDerWaalsContact O-N 3.15Å; P438-Q441 PolarHBondContact O-N 2.81Å; Q441-L443 VanDerWaalsContact C-N 3.32Å; Q441-L443 PolarHBondContact O-N 3.05Å; Q441-G444 PolarHBondContact O-N 3.46Å
442	A	84.4	Confident	86.6	Confident	28 Å²	28	32 Å²	32	23%	0.231	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-17.1	-179.6	0	0	0	0	0	115.8	I376 I388 P438 F440 G444	I376-A442 HydrophobicContact CD1-CB 4.34Å; I388-A442 HydrophobicContact CD1-CB 3.73Å; I388-A442 WeakPolarHBondContact CD1-O 3.18Å; I388-A442 HydrophobicContact CG2-CB 4.08Å; P438-A442 WeakPolarHBondContact O-CB 3.44Å; P438-A442 PolarHBondContact O-N 3.09Å; F440-A442 PolarHBondContact O-N 3.4Å; A442-G444 VanDerWaalsContact C-N 3.28Å; A442-G444 PolarHBondContact O-N 3.5Å
443	L	82.9	Confident	86.8	Confident	15 Å²	15	36 Å²	36	8%	0.079	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-14.6	177.4	-71.1	166.3	0	0	0	113.7	F440 Q441 C447 N448 L451 F534 Q546 I547 F550	F440-L443 PolarHBondContact O-N 3.15Å; Q441-L443 VanDerWaalsContact C-N 3.32Å; Q441-L443 PolarHBondContact O-N 3.05Å; L443-C447 HydrophobicContact CB-CB 4.2Å; L443-C447 WeakPolarHBondContact O-CB 3.32Å; L443-N448 WeakPolarHBondContact CB-OD1 3.4Å; L443-L451 HydrophobicContact CD1-CD2 4.01Å; L443-F534 HydrophobicContact CD1-CD1 4.19Å; L443-F534 HydrophobicContact CD1-CE1 3.93Å; L443-Q546 HydrophobicContact CD2-CB 4.23Å; L443-Q546 HydrophobicContact CD2-CG 3.89Å; L443-I547 HydrophobicContact CD1-CG1 4.16Å; L443-I547 HydrophobicContact CD2-CG1 3.96Å; L443-F550 HydrophobicContact CD1-CD2 4.37Å; L443-F550 HydrophobicContact CD1-CE2 4.44Å; L443-F550 HydrophobicContact CD2-CD2 4.4Å; L443-F550 HydrophobicContact CD2-CE2 4.02Å; L443-F550 HydrophobicContact CG-CD2 4.45Å; L443-F550 HydrophobicContact CG-CE2 4.04Å
444	G	82.4	Confident	86.7	Confident	33 Å²	33	37 Å²	37	34%	0.34	21%	0.207	S	C	.	.			trans	86.9	152.7	-178.1	0	0	0	0	0	114.1	Q441 A442 D446 C447 N448	Q441-G444 PolarHBondContact O-N 3.46Å; A442-G444 VanDerWaalsContact C-N 3.28Å; A442-G444 PolarHBondContact O-N 3.5Å; G444-D446 PolarHBondContact O-N 3.21Å; G444-C447 PolarHBondContact O-N 3.24Å; G444-N448 WeakPolarHBondContact O-CB 3.31Å; G444-N448 VanDerWaalsContact O-CG 3.27Å; G444-N448 PolarHBondContact O-N 3.27Å; G444-N448 PolarHBondContact O-ND2 3.16Å
445	Q	83.1	Confident	86.8	Confident	90 Å²	90	37 Å²	37	42%	0.421	21%	0.207	S	C	.	.	H	α-helix	trans	-60.7	-40.1	-163.1	-171.7	60.6	31.7	0	0	114.6	N448 T449	Q445-N448 PolarHBondContact O-N 3.18Å; Q445-T449 PolarHBondContact NE2-OG1 3.04Å; Q445-T449 WeakPolarHBondContact O-CB 3.46Å; Q445-T449 PolarHBondContact O-N 2.83Å; Q445-T449 PolarHBondContact O-OG1 2.94Å
446	D	82.3	Confident	87	Confident	132 Å²	132	34.5 Å²	34.5	71%	0.706	20%	0.198	S	C	*	.	H	α-helix	trans	-71.7	-39.8	-177.9	-56.1	-52.1	0	0	0	111.7	G444 S450	G444-D446 PolarHBondContact O-N 3.21Å; D446-S450 WeakPolarHBondContact O-CB 3.44Å; D446-S450 PolarHBondContact O-N 2.92Å; D446-S450 PolarHBondContact O-OG 2.76Å
447	C	85.9	Confident	87.4	Confident	3 Å²	3	32.7 Å²	32.7	2%	0.02	18%	0.184	C	C	.	.	H	α-helix	trans	-62.3	-48.9	172.4	-173.2	0	0	0	0	110.3	L443 G444 T449 S450 L451	L443-C447 HydrophobicContact CB-CB 4.2Å; L443-C447 WeakPolarHBondContact O-CB 3.32Å; G444-C447 PolarHBondContact O-N 3.24Å; C447-T449 PolarHBondContact O-N 3.19Å; C447-S450 PolarHBondContact O-N 3.49Å; C447-S450 VanDerWaalsContact O-N 3.15Å; C447-L451 VanDerWaalsContact O-CB 3.23Å; C447-L451 WeakPolarHBondContact O-CB 3.43Å; C447-L451 PolarHBondContact O-N 2.86Å
448	N	87.7	Confident	87.6	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.027	19%	0.188	C	C	.	.	H	α-helix	trans	-57.4	-44.9	178.7	-76.5	-9.9	0	0	0	113.3	F440 L443 G444 Q445 S450 V452	F440-N448 HydrophobicContact CD1-CB 4.45Å; F440-N448 WeakPolarHBondContact CD2-OD1 3.36Å; F440-N448 HydrophobicContact CE1-CB 3.71Å; F440-N448 HydrophobicContact CE2-CB 3.81Å; F440-N448 WeakPolarHBondContact CE2-OD1 3.38Å; F440-N448 HydrophobicContact CZ-CB 3.34Å; F440-N448 VanDerWaalsContact O-CG 3.24Å; F440-N448 PolarHBondContact O-ND2 3.38Å; F440-N448 PolarHBondContact O-OD1 2.94Å; L443-N448 WeakPolarHBondContact CB-OD1 3.4Å; G444-N448 WeakPolarHBondContact O-CB 3.31Å; G444-N448 VanDerWaalsContact O-CG 3.27Å; G444-N448 PolarHBondContact O-N 3.27Å; G444-N448 PolarHBondContact O-ND2 3.16Å; Q445-N448 PolarHBondContact O-N 3.18Å; N448-S450 VanDerWaalsContact C-N 3.34Å; N448-V452 WeakPolarHBondContact O-CB 3.4Å; N448-V452 WeakPolarHBondContact O-CG2 3.23Å; N448-V452 PolarHBondContact O-N 3.42Å
449	T	88.3	Confident	88	Confident	12 Å²	12	31.4 Å²	31.4	7%	0.074	17%	0.174	C	C	.	.	H	α-helix	trans	-66.8	-37.9	178.2	-52.3	0	0	0	0	111.3	Q445 C447 R453 P610	Q445-T449 PolarHBondContact NE2-OG1 3.04Å; Q445-T449 WeakPolarHBondContact O-CB 3.46Å; Q445-T449 PolarHBondContact O-N 2.83Å; Q445-T449 PolarHBondContact O-OG1 2.94Å; C447-T449 PolarHBondContact O-N 3.19Å; T449-R453 WeakPolarHBondContact O-CB 3.42Å; T449-R453 WeakPolarHBondContact O-CD 3.46Å; T449-R453 VanDerWaalsContact O-CG 3.28Å; T449-R453 WeakPolarHBondContact O-CG 3.21Å; T449-R453 PolarHBondContact O-N 2.8Å; T449-R453 VanDerWaalsContact O-N 3.16Å; T449-P610 HydrophobicContact CG2-CB 3.82Å; T449-P610 HydrophobicContact CG2-CG 3.63Å
450	S	88.3	Confident	88.3	Confident	47 Å²	47	31.3 Å²	31.3	33%	0.329	17%	0.174	S	C	.	.	H	α-helix	trans	-73	-40.4	179.5	-54.4	0	0	0	0	112.3	D446 C447 N448 R453 A454	D446-S450 WeakPolarHBondContact O-CB 3.44Å; D446-S450 PolarHBondContact O-N 2.92Å; D446-S450 PolarHBondContact O-OG 2.76Å; C447-S450 PolarHBondContact O-N 3.49Å; C447-S450 VanDerWaalsContact O-N 3.15Å; N448-S450 VanDerWaalsContact C-N 3.34Å; S450-R453 PolarHBondContact O-N 2.79Å; S450-A454 WeakPolarHBondContact O-CB 3.36Å; S450-A454 PolarHBondContact O-N 3.4Å; S450-A454 VanDerWaalsContact O-N 3.09Å
451	L	90	Very high	88.5	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-65	-46.2	178.3	-169.5	63.7	0	0	0	111.3	F440 L443 C447 A454 C455 L533 F534 L541 I547	F440-L451 HydrophobicContact CD2-CD2 4.28Å; F440-L451 HydrophobicContact CE2-CD2 4.27Å; L443-L451 HydrophobicContact CD1-CD2 4.01Å; C447-L451 VanDerWaalsContact O-CB 3.23Å; C447-L451 WeakPolarHBondContact O-CB 3.43Å; C447-L451 PolarHBondContact O-N 2.86Å; L451-A454 PolarHBondContact O-N 3.39Å; L451-C455 PolarHBondContact O-N 2.85Å; L451-C455 PolarHBondContact O-SG 3.31Å; L451-L533 WeakPolarHBondContact CD1-O 3.38Å; L451-L533 HydrophobicContact CD2-CD1 4.4Å; L451-L533 VanDerWaalsContact CD2-O 3.29Å; L451-L533 WeakPolarHBondContact CD2-O 3.38Å; L451-L533 HydrophobicContact CG-CD1 4.44Å; L451-L533 WeakPolarHBondContact CG-O 3.22Å; L451-F534 HydrophobicContact CD2-CD1 4.23Å; L451-L541 HydrophobicContact CB-CD2 4.06Å; L451-L541 HydrophobicContact CD1-CD1 3.83Å; L451-L541 HydrophobicContact CD1-CD2 3.89Å; L451-I547 HydrophobicContact CD1-CD1 4.31Å; L451-I547 HydrophobicContact CD1-CG2 4.38Å
452	V	91.2	Very high	88.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-66.4	-41.6	177.1	172.8	0	0	0	0	111.8	M431 A434 F440 N448 A454 C455 W456 L533 I609 L613	M431-V452 HydrophobicContact CE-CG1 4.1Å; M431-V452 HydrophobicContact SD-CG1 3.25Å; M431-V452 WeakPolarHBondContact SD-CG1 3.33Å; A434-V452 HydrophobicContact CB-CG2 4.41Å; F440-V452 HydrophobicContact CE2-CG2 3.64Å; F440-V452 HydrophobicContact CZ-CG2 3.43Å; F440-V452 VanDerWaalsContact CZ-CG2 3.43Å; N448-V452 WeakPolarHBondContact O-CB 3.4Å; N448-V452 WeakPolarHBondContact O-CG2 3.23Å; N448-V452 PolarHBondContact O-N 3.42Å; V452-A454 PolarHBondContact O-N 3.41Å; V452-C455 PolarHBondContact O-N 3.15Å; V452-W456 WeakPolarHBondContact O-CA 3.35Å; V452-W456 WeakPolarHBondContact O-CB 3.18Å; V452-W456 PolarHBondContact O-N 3.02Å; V452-L533 HydrophobicContact CG2-CD1 4.05Å; V452-I609 HydrophobicContact CB-CG2 4.13Å; V452-I609 HydrophobicContact CG1-CD1 4.22Å; V452-I609 HydrophobicContact CG1-CG1 4.35Å; V452-I609 HydrophobicContact CG1-CG2 3.67Å; V452-L613 HydrophobicContact CB-CD1 4.25Å; V452-L613 HydrophobicContact CG1-CD1 4.47Å; V452-L613 HydrophobicContact CG2-CD1 4.29Å
453	R	89.9	Confident	89.1	Confident	101 Å²	101	24.6 Å²	24.6	38%	0.381	14%	0.137	S	C	.	.	H	α-helix	trans	-54.4	-39.8	170.8	-80.5	170.5	169.9	154.4	-9.1	112.6	T449 S450 C455 W456 D606 I609	T449-R453 WeakPolarHBondContact O-CB 3.42Å; T449-R453 WeakPolarHBondContact O-CD 3.46Å; T449-R453 VanDerWaalsContact O-CG 3.28Å; T449-R453 WeakPolarHBondContact O-CG 3.21Å; T449-R453 PolarHBondContact O-N 2.8Å; T449-R453 VanDerWaalsContact O-N 3.16Å; S450-R453 PolarHBondContact O-N 2.79Å; R453-C455 VanDerWaalsContact C-N 3.34Å; R453-C455 PolarHBondContact O-N 2.9Å; R453-W456 VanDerWaalsContact O-CD1 3.26Å; R453-D606 HydrophobicContact CG-CB 4.41Å; R453-D606 PolarHBondContact NE-O 3.23Å; R453-D606 PolarHBondContact NH2-O 3.23Å; R453-D606 VanDerWaalsContact NH2-O 3.15Å; R453-I609 HydrophobicContact CG-CB 4.4Å; R453-I609 HydrophobicContact CG-CD1 4.17Å; R453-I609 HydrophobicContact CG-CG2 4.15Å
454	A	88.3	Confident	89.4	Confident	37 Å²	37	23.9 Å²	23.9	31%	0.306	13%	0.134	S	C	.	.	H	α-helix	trans	-75.4	-20.1	-176.4	0	0	0	0	0	114.3	S450 L451 V452 H538	S450-A454 WeakPolarHBondContact O-CB 3.36Å; S450-A454 PolarHBondContact O-N 3.4Å; S450-A454 VanDerWaalsContact O-N 3.09Å; L451-A454 PolarHBondContact O-N 3.39Å; V452-A454 PolarHBondContact O-N 3.41Å; A454-H538 HydrophobicContact CB-CB 3.65Å; A454-H538 PolarHBondContact O-CE1 3.5Å; A454-H538 VanDerWaalsContact O-CE1 3.27Å
455	C	91.7	Very high	89.8	Confident	1 Å²	1	22.8 Å²	22.8	1%	0.007	12%	0.121	C	C	.	.	H	α-helix	trans	-126.8	2.1	-175.5	69.7	0	0	0	0	115.8	L451 V452 R453 N457 E458 L459 V532	L451-C455 PolarHBondContact O-N 2.85Å; L451-C455 PolarHBondContact O-SG 3.31Å; V452-C455 PolarHBondContact O-N 3.15Å; R453-C455 VanDerWaalsContact C-N 3.34Å; R453-C455 PolarHBondContact O-N 2.9Å; C455-N457 VanDerWaalsContact C-N 3.27Å; C455-N457 PolarHBondContact O-N 2.9Å; C455-E458 WeakPolarHBondContact O-CB 3.24Å; C455-E458 PolarHBondContact O-N 3.15Å; C455-L459 PolarHBondContact O-N 3.02Å; C455-V532 HydrophobicContact CB-CG1 3.96Å
456	W	92.1	Very high	90.1	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.015	11%	0.112	C	C	.	.	H	α-helix	trans	-58	-37.6	-173.4	73.8	-98.9	0	0	0	113.3	L427 M431 V452 R453 L459 F460 T591 E592 I605 D606 I609	L427-W456 HydrophobicContact CD1-CE3 4.1Å; M431-W456 HydrophobicContact CE-CB 4.08Å; M431-W456 HydrophobicContact SD-CB 4.39Å; V452-W456 WeakPolarHBondContact O-CA 3.35Å; V452-W456 WeakPolarHBondContact O-CB 3.18Å; V452-W456 PolarHBondContact O-N 3.02Å; R453-W456 VanDerWaalsContact O-CD1 3.26Å; W456-L459 PolarHBondContact O-N 2.88Å; W456-F460 HydrophobicContact CE3-CB 4.33Å; W456-F460 WeakPolarHBondContact O-CB 3.37Å; W456-F460 PolarHBondContact O-N 3.44Å; W456-T591 HydrophobicContact CH2-CG2 4.41Å; W456-T591 HydrophobicContact CZ3-CG2 4.23Å; W456-E592 HydrophobicContact CH2-CG 3.63Å; W456-E592 HydrophobicContact CZ2-CG 3.77Å; W456-I605 HydrophobicContact CD2-CB 4.33Å; W456-I605 HydrophobicContact CD2-CG2 3.69Å; W456-I605 HydrophobicContact CE3-CG2 3.99Å; W456-I605 HydrophobicContact CG-CG2 4.15Å; W456-I605 HydrophobicContact CH2-CB 4.13Å; W456-I605 HydrophobicContact CH2-CG1 3.92Å; W456-I605 HydrophobicContact CH2-CG2 4.35Å; W456-I605 HydrophobicContact CZ2-CB 3.73Å; W456-I605 HydrophobicContact CZ2-CG1 4.01Å; W456-I605 HydrophobicContact CZ2-CG2 4.04Å; W456-I605 HydrophobicContact CZ3-CG1 4.34Å; W456-I605 HydrophobicContact CZ3-CG2 4.31Å; W456-D606 PolarHBondContact NE1-OD1 3.44Å; W456-I609 HydrophobicContact CB-CD1 3.71Å; W456-I609 HydrophobicContact CG-CD1 3.62Å
457	N	92.6	Very high	90.3	Very high	14 Å²	14	14.7 Å²	14.7	8%	0.075	8%	0.08	C	C	.	.	H	α-helix	trans	-65.4	-41.6	178.4	179.4	54.5	0	0	0	110.9	C455 F460 T461 M586 T591	C455-N457 VanDerWaalsContact C-N 3.27Å; C455-N457 PolarHBondContact O-N 2.9Å; N457-F460 PolarHBondContact O-N 3.48Å; N457-T461 WeakPolarHBondContact O-CB 3.36Å; N457-T461 PolarHBondContact O-N 3.17Å; N457-T461 PolarHBondContact O-OG1 3.28Å; N457-T461 VanDerWaalsContact O-OG1 3.11Å; N457-M586 WeakPolarHBondContact ND2-CB 3.49Å; N457-M586 PolarHBondContact ND2-O 2.99Å; N457-M586 VanDerWaalsContact ND2-O 3.16Å; N457-T591 VanDerWaalsContact OD1-CB 3.26Å; N457-T591 WeakPolarHBondContact OD1-CB 3.24Å; N457-T591 PolarHBondContact OD1-OG1 3.34Å
458	E	93.3	Very high	90.2	Very high	19 Å²	19	15.6 Å²	15.6	9%	0.089	9%	0.088	C	C	.	.	H	α-helix	trans	-65.8	-43.7	175.6	-61.9	-161.3	-132.1	0	0	111.4	C455 T461 L462 V532 L583 R584	C455-E458 WeakPolarHBondContact O-CB 3.24Å; C455-E458 PolarHBondContact O-N 3.15Å; E458-T461 PolarHBondContact O-N 2.98Å; E458-L462 WeakPolarHBondContact O-CB 3.42Å; E458-L462 WeakPolarHBondContact O-CG 3.17Å; E458-L462 PolarHBondContact O-N 3.3Å; E458-V532 HydrophobicContact CB-CG1 3.44Å; E458-V532 VanDerWaalsContact CB-CG1 3.44Å; E458-V532 HydrophobicContact CG-CG1 4.46Å; E458-L583 HydrophobicContact CB-CD1 4.43Å; E458-L583 HydrophobicContact CB-CD2 3.73Å; E458-L583 HydrophobicContact CB-CG 3.74Å; E458-L583 HydrophobicContact CG-CD2 4.28Å; E458-L583 HydrophobicContact CG-CG 3.88Å; E458-R584 WeakPolarHBondContact OE1-CG 3.5Å
459	L	92.6	Very high	89.7	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-64.4	-42.9	175.2	-69.9	175.6	0	0	0	112.7	M431 W433 C455 W456 L462 G463 K529 V532 L533	M431-L459 HydrophobicContact CE-CD1 4.49Å; W433-L459 HydrophobicContact CZ3-CD2 4.4Å; C455-L459 PolarHBondContact O-N 3.02Å; W456-L459 PolarHBondContact O-N 2.88Å; L459-L462 PolarHBondContact O-N 3.11Å; L459-G463 PolarHBondContact O-N 2.96Å; L459-K529 HydrophobicContact CD2-CB 3.8Å; L459-K529 HydrophobicContact CD2-CG 4.11Å; L459-K529 WeakPolarHBondContact CD2-O 3.35Å; L459-V532 HydrophobicContact CD2-CB 4.39Å; L459-V532 HydrophobicContact CD2-CG1 3.97Å; L459-V532 HydrophobicContact CG-CG1 4.07Å; L459-L533 HydrophobicContact CD1-CD1 4.17Å; L459-L533 HydrophobicContact CD2-CB 4.44Å
460	F	93.1	Very high	89.1	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63.1	-46.5	176.9	176	-97.2	0	0	0	110.7	A423 L426 L427 W456 N457 L462 G463 L464 T591 F595 F596	A423-F460 HydrophobicContact CB-CE2 4.26Å; A423-F460 HydrophobicContact CB-CZ 4.07Å; L426-F460 HydrophobicContact CB-CE2 4.15Å; L426-F460 HydrophobicContact CD2-CD2 4.07Å; L426-F460 HydrophobicContact CD2-CE2 3.72Å; L426-F460 HydrophobicContact CD2-CZ 4.19Å; L426-F460 HydrophobicContact CG-CD2 4.08Å; L426-F460 HydrophobicContact CG-CE2 3.96Å; L427-F460 HydrophobicContact CB-CD2 4.35Å; L427-F460 HydrophobicContact CD1-CD2 4.42Å; W456-F460 HydrophobicContact CE3-CB 4.33Å; W456-F460 WeakPolarHBondContact O-CB 3.37Å; W456-F460 PolarHBondContact O-N 3.44Å; N457-F460 PolarHBondContact O-N 3.48Å; F460-L462 PolarHBondContact O-N 3.23Å; F460-G463 CarbonylContact O-C 3.54Å; F460-G463 PolarHBondContact O-N 3Å; F460-L464 HydrophobicContact CE1-CD2 4.47Å; F460-L464 VanDerWaalsContact O-CB 3.3Å; F460-L464 WeakPolarHBondContact O-CB 3.49Å; F460-L464 PolarHBondContact O-N 3.22Å; F460-T591 HydrophobicContact CD1-CG2 3.67Å; F460-T591 HydrophobicContact CE1-CG2 3.69Å; F460-F595 AromaticContact CE1-CD2 3.96Å; F460-F595 HydrophobicContact CE1-CD2 3.96Å; F460-F595 HydrophobicContact CE1-CE2 4.23Å; F460-F595 HydrophobicContact CE1-CG 4.3Å; F460-F595 HydrophobicContact CZ-CB 4.42Å; F460-F595 HydrophobicContact CZ-CD2 4.3Å; F460-F595 HydrophobicContact CZ-CG 4.17Å; F460-F596 HydrophobicContact CD2-CZ 4.34Å; F460-F596 HydrophobicContact CE1-CE2 4.42Å; F460-F596 HydrophobicContact CE2-CE2 4.16Å; F460-F596 AromaticContact CE2-CZ 3.76Å; F460-F596 HydrophobicContact CE2-CZ 3.76Å; F460-F596 HydrophobicContact CZ-CE2 4.02Å; F460-F596 HydrophobicContact CZ-CZ 4.03Å
461	T	93	Very high	88.3	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-65.4	-35.8	176.9	-65	0	0	0	0	112.5	N457 E458 L464 A465 L508 F511 L583 M586	N457-T461 WeakPolarHBondContact O-CB 3.36Å; N457-T461 PolarHBondContact O-N 3.17Å; N457-T461 PolarHBondContact O-OG1 3.28Å; N457-T461 VanDerWaalsContact O-OG1 3.11Å; E458-T461 PolarHBondContact O-N 2.98Å; T461-L464 PolarHBondContact O-N 2.97Å; T461-A465 WeakPolarHBondContact O-CB 3.42Å; T461-A465 PolarHBondContact O-N 2.99Å; T461-L508 HydrophobicContact CG2-CD1 3.66Å; T461-F511 HydrophobicContact CG2-CD1 3.67Å; T461-F511 HydrophobicContact CG2-CE1 3.78Å; T461-F511 HydrophobicContact CG2-CG 4.45Å; T461-L583 HydrophobicContact CG2-CD1 3.48Å; T461-L583 VanDerWaalsContact CG2-CD1 3.48Å; T461-M586 HydrophobicContact CG2-CG 4.45Å
462	L	92.8	Very high	87.6	Confident	1 Å²	1	27 Å²	27	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-66.1	-41.6	170.6	-78.7	172.1	0	0	0	112.6	E458 L459 F460 L464 A465 Q466 F511 M515 L528 K529 V532 L583	E458-L462 WeakPolarHBondContact O-CB 3.42Å; E458-L462 WeakPolarHBondContact O-CG 3.17Å; E458-L462 PolarHBondContact O-N 3.3Å; L459-L462 PolarHBondContact O-N 3.11Å; F460-L462 PolarHBondContact O-N 3.23Å; L462-L464 VanDerWaalsContact C-N 3.32Å; L462-A465 PolarHBondContact O-N 3.06Å; L462-Q466 PolarHBondContact O-N 3.39Å; L462-F511 HydrophobicContact CD2-CE1 4.39Å; L462-F511 HydrophobicContact CD2-CZ 3.97Å; L462-M515 HydrophobicContact CD2-CE 3.74Å; L462-L528 HydrophobicContact CD1-CB 4.3Å; L462-L528 HydrophobicContact CD2-CB 4.44Å; L462-L528 HydrophobicContact CD2-CD1 4.37Å; L462-K529 HydrophobicContact CB-CG 3.95Å; L462-K529 HydrophobicContact CD1-CG 3.91Å; L462-V532 HydrophobicContact CD1-CB 4.35Å; L462-V532 HydrophobicContact CD1-CG2 3.84Å; L462-L583 HydrophobicContact CD1-CD2 3.73Å; L462-L583 HydrophobicContact CD2-CD2 4.23Å; L462-L583 HydrophobicContact CG-CD1 4.47Å; L462-L583 HydrophobicContact CG-CD2 3.69Å
463	G	89.6	Confident	87.1	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-62.7	-38.6	172.6	0	0	0	0	0	112.4	L459 F460 Q466 C467	L459-G463 PolarHBondContact O-N 2.96Å; F460-G463 CarbonylContact O-C 3.54Å; F460-G463 PolarHBondContact O-N 3Å; G463-Q466 PolarHBondContact O-N 3.13Å; G463-C467 WeakPolarHBondContact O-CB 3.45Å; G463-C467 PolarHBondContact O-N 3.32Å
464	L	90.1	Very high	86.6	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-67.9	-40.4	178.4	-167	73.7	0	0	0	111.3	L426 F460 T461 L462 C467 A468 M471 L473 L508 F595	L426-L464 HydrophobicContact CD2-CB 3.89Å; L426-L464 HydrophobicContact CD2-CD1 3.63Å; L426-L464 HydrophobicContact CD2-CG 4.4Å; F460-L464 HydrophobicContact CE1-CD2 4.47Å; F460-L464 VanDerWaalsContact O-CB 3.3Å; F460-L464 WeakPolarHBondContact O-CB 3.49Å; F460-L464 PolarHBondContact O-N 3.22Å; T461-L464 PolarHBondContact O-N 2.97Å; L462-L464 VanDerWaalsContact C-N 3.32Å; L464-C467 CarbonylContact O-C 3.57Å; L464-C467 PolarHBondContact O-N 2.81Å; L464-A468 WeakPolarHBondContact O-CA 3.47Å; L464-A468 WeakPolarHBondContact O-CB 3.36Å; L464-A468 PolarHBondContact O-N 3.43Å; L464-M471 HydrophobicContact CD1-CE 3.95Å; L464-M471 HydrophobicContact CD1-SD 3.53Å; L464-M471 VanDerWaalsContact CD1-SD 3.53Å; L464-L473 HydrophobicContact CD1-CD1 4.16Å; L464-L473 HydrophobicContact CD2-CD1 3.89Å; L464-L473 HydrophobicContact CD2-CD2 4.04Å; L464-L473 HydrophobicContact CG-CD1 4.15Å; L464-L473 HydrophobicContact CG-CD2 4.08Å; L464-L508 HydrophobicContact CD2-CD1 4.07Å; L464-L508 HydrophobicContact CD2-CD2 3.92Å; L464-L508 HydrophobicContact CD2-CG 4.26Å; L464-F595 HydrophobicContact CD2-CE2 4.33Å; L464-F595 HydrophobicContact CD2-CZ 3.9Å
465	A	90.4	Very high	86.1	Confident	10 Å²	10	28.9 Å²	28.9	8%	0.083	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-45.3	172.7	0	0	0	0	0	111.7	T461 L462 C467 A468 F511 M515 Y525	T461-A465 WeakPolarHBondContact O-CB 3.42Å; T461-A465 PolarHBondContact O-N 2.99Å; L462-A465 PolarHBondContact O-N 3.06Å; A465-C467 VanDerWaalsContact C-N 3.31Å; A465-C467 PolarHBondContact O-N 3.29Å; A465-A468 WeakPolarHBondContact O-CB 3.49Å; A465-A468 PolarHBondContact O-N 3.39Å; A465-F511 HydrophobicContact CB-CD1 4.35Å; A465-F511 HydrophobicContact CB-CE1 3.98Å; A465-M515 HydrophobicContact CB-CB 4.25Å; A465-M515 HydrophobicContact CB-CG 4.2Å; A465-Y525 HydrophobicContact CB-CE1 4.18Å
466	Q	89.6	Confident	85.5	Confident	47 Å²	47	28.8 Å²	28.8	22%	0.22	17%	0.166	C	C	.	.	H	α-helix	trans	-64.4	-34.1	177.5	-166.5	173.9	18	0	0	112.8	F402 L462 G463 Y525	F402-Q466 VanDerWaalsContact CD1-OE1 3.28Å; L462-Q466 PolarHBondContact O-N 3.39Å; G463-Q466 PolarHBondContact O-N 3.13Å; Q466-Y525 HydrophobicContact CB-CD1 3.87Å; Q466-Y525 HydrophobicContact CB-CD2 4.19Å; Q466-Y525 HydrophobicContact CB-CE1 3.8Å; Q466-Y525 HydrophobicContact CB-CE2 4.13Å; Q466-Y525 HydrophobicContact CB-CG 4.08Å; Q466-Y525 HydrophobicContact CG-CD1 4.25Å; Q466-Y525 HydrophobicContact CG-CD2 3.79Å; Q466-Y525 HydrophobicContact CG-CE1 4.46Å; Q466-Y525 HydrophobicContact CG-CE2 4.04Å; Q466-Y525 HydrophobicContact CG-CG 3.92Å
467	C	85.8	Confident	84.9	Confident	5 Å²	5	28.6 Å²	28.6	3%	0.034	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	10.3	179.2	-63.2	0	0	0	0	114.1	L404 G463 L464 A465 Q469 V470 M471	L404-C467 HydrophobicContact CB-CB 4.48Å; L404-C467 HydrophobicContact CD2-CB 4.17Å; G463-C467 WeakPolarHBondContact O-CB 3.45Å; G463-C467 PolarHBondContact O-N 3.32Å; L464-C467 CarbonylContact O-C 3.57Å; L464-C467 PolarHBondContact O-N 2.81Å; A465-C467 VanDerWaalsContact C-N 3.31Å; A465-C467 PolarHBondContact O-N 3.29Å; C467-Q469 VanDerWaalsContact C-N 3.29Å; C467-Q469 PolarHBondContact O-N 2.89Å; C467-V470 PolarHBondContact O-N 3.48Å; C467-M471 PolarHBondContact O-N 2.9Å
468	A	83.3	Confident	84.3	Confident	23 Å²	23	30.1 Å²	30.1	19%	0.19	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-36.7	-167.7	0	0	0	0	0	113.9	L464 A465 S472 L473	L464-A468 WeakPolarHBondContact O-CA 3.47Å; L464-A468 WeakPolarHBondContact O-CB 3.36Å; L464-A468 PolarHBondContact O-N 3.43Å; A465-A468 WeakPolarHBondContact O-CB 3.49Å; A465-A468 PolarHBondContact O-N 3.39Å; A468-S472 PolarHBondContact O-N 2.88Å; A468-L473 HydrophobicContact CB-CB 4.25Å; A468-L473 HydrophobicContact CB-CD2 4.21Å; A468-L473 PolarHBondContact O-N 2.72Å
469	Q	77.3	Confident	83.5	Confident	184 Å²	184	30.9 Å²	30.9	86%	0.86	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-45.4	174.8	-64.8	-179	-1.7	0	0	111.6	C467 M471 S472	C467-Q469 VanDerWaalsContact C-N 3.29Å; C467-Q469 PolarHBondContact O-N 2.89Å; Q469-M471 PolarHBondContact O-N 2.98Å; Q469-S472 PolarHBondContact O-N 3.27Å; Q469-S472 VanDerWaalsContact O-N 3.13Å
470	V	76.8	Confident	82.7	Confident	88 Å²	88	31.9 Å²	31.9	53%	0.533	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-37.7	-178.3	-179.9	0	0	0	0	111.7	M406 C467 S472	M406-V470 HydrophobicContact CG-CG1 3.74Å; C467-V470 PolarHBondContact O-N 3.48Å; V470-S472 VanDerWaalsContact C-N 3.31Å
471	M	72.3	Confident	82.1	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.5	176.7	-155	-174.1	-84.1	0	0	112.9	L404 M406 L426 L464 C467 Q469 L473 I476	L404-M471 HydrophobicContact CD2-CE 3.64Å; M406-M471 HydrophobicContact CE-CB 4.46Å; M406-M471 HydrophobicContact CE-CG 3.93Å; M406-M471 HydrophobicContact SD-CG 4.27Å; L426-M471 HydrophobicContact CB-CE 3.85Å; L426-M471 HydrophobicContact CD2-CE 3.62Å; L426-M471 HydrophobicContact CG-CE 4.32Å; L464-M471 HydrophobicContact CD1-CE 3.95Å; L464-M471 HydrophobicContact CD1-SD 3.53Å; L464-M471 VanDerWaalsContact CD1-SD 3.53Å; C467-M471 PolarHBondContact O-N 2.9Å; Q469-M471 PolarHBondContact O-N 2.98Å; M471-L473 VanDerWaalsContact C-N 3.32Å; M471-L473 PolarHBondContact O-N 3.48Å; M471-I476 HydrophobicContact CG-CD1 3.68Å; M471-I476 WeakPolarHBondContact O-CD1 3.37Å; M471-I476 HydrophobicContact SD-CD1 4.05Å
472	S	74.8	Confident	81.4	Confident	31 Å²	31	37.3 Å²	37.3	22%	0.217	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	44	-172.7	72.5	0	0	0	0	113.6	A468 Q469 V470 S474 T475 I476	A468-S472 PolarHBondContact O-N 2.88Å; Q469-S472 PolarHBondContact O-N 3.27Å; Q469-S472 VanDerWaalsContact O-N 3.13Å; V470-S472 VanDerWaalsContact C-N 3.31Å; S472-S474 PolarHBondContact O-N 2.96Å; S472-T475 WeakPolarHBondContact O-CA 3.34Å; S472-T475 VanDerWaalsContact O-CB 3.31Å; S472-T475 WeakPolarHBondContact O-CB 3.49Å; S472-T475 PolarHBondContact O-N 2.76Å; S472-I476 PolarHBondContact O-N 2.89Å
473	L	79.9	Confident	80.5	Confident	6 Å²	6	42.9 Å²	42.9	3%	0.031	25%	0.25	C	C	.	.	H	α-helix	trans	-51.1	-38.2	-167.4	-178.9	63.2	0	0	0	114.2	L464 A468 M471 T475 I476 L477 C512 F595	L464-L473 HydrophobicContact CD1-CD1 4.16Å; L464-L473 HydrophobicContact CD2-CD1 3.89Å; L464-L473 HydrophobicContact CD2-CD2 4.04Å; L464-L473 HydrophobicContact CG-CD1 4.15Å; L464-L473 HydrophobicContact CG-CD2 4.08Å; A468-L473 HydrophobicContact CB-CB 4.25Å; A468-L473 HydrophobicContact CB-CD2 4.21Å; A468-L473 PolarHBondContact O-N 2.72Å; M471-L473 VanDerWaalsContact C-N 3.32Å; M471-L473 PolarHBondContact O-N 3.48Å; L473-T475 VanDerWaalsContact C-N 3.3Å; L473-T475 PolarHBondContact O-N 2.62Å; L473-I476 PolarHBondContact O-N 3.29Å; L473-L477 HydrophobicContact CD1-CD1 3.81Å; L473-L477 HydrophobicContact CD1-CD2 4.35Å; L473-L477 HydrophobicContact CD1-CG 3.83Å; L473-L477 HydrophobicContact CD2-CD1 4.31Å; L473-L477 HydrophobicContact CG-CD1 3.79Å; L473-L477 HydrophobicContact CG-CG 4.19Å; L473-L477 WeakPolarHBondContact O-CG 3.3Å; L473-L477 PolarHBondContact O-N 2.93Å; L473-C512 HydrophobicContact CD2-CB 4.18Å; L473-F595 HydrophobicContact CD1-CZ 4.31Å
474	S	79.4	Confident	79.6	Confident	90 Å²	90	43.7 Å²	43.7	63%	0.629	25%	0.254	S	S	*	.	H	α-helix	trans	-59.4	-39.1	176.8	-50.5	0	0	0	0	112.8	S472 A478	S472-S474 PolarHBondContact O-N 2.96Å; S474-A478 VanDerWaalsContact O-CB 3.26Å; S474-A478 WeakPolarHBondContact O-CB 3.32Å; S474-A478 PolarHBondContact O-N 2.74Å
475	T	77.9	Confident	78.7	Confident	80 Å²	80	48.1 Å²	48.1	49%	0.491	28%	0.275	S	S	.	.	H	α-helix	trans	-69.5	-42.3	175.9	-49.4	0	0	0	0	111	S472 L473 A478 A479	S472-T475 WeakPolarHBondContact O-CA 3.34Å; S472-T475 VanDerWaalsContact O-CB 3.31Å; S472-T475 WeakPolarHBondContact O-CB 3.49Å; S472-T475 PolarHBondContact O-N 2.76Å; L473-T475 VanDerWaalsContact C-N 3.3Å; L473-T475 PolarHBondContact O-N 2.62Å; T475-A478 PolarHBondContact O-N 3.43Å; T475-A479 WeakPolarHBondContact O-CB 3.19Å; T475-A479 PolarHBondContact O-N 3.28Å
476	I	79.6	Confident	77.7	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58.9	-52.6	176.1	-68.1	-178.2	0	0	0	111.1	L414 I419 M471 S472 L473 A478 A479 I480 F595	L414-I476 HydrophobicContact CD1-CG1 3.93Å; L414-I476 HydrophobicContact CD2-CB 4.32Å; L414-I476 HydrophobicContact CD2-CG1 3.99Å; I419-I476 HydrophobicContact CD1-CG2 4.19Å; I419-I476 HydrophobicContact CG1-CG1 4.34Å; I419-I476 HydrophobicContact CG1-CG2 4.03Å; I419-I476 HydrophobicContact CG2-CG2 3.85Å; M471-I476 HydrophobicContact CG-CD1 3.68Å; M471-I476 WeakPolarHBondContact O-CD1 3.37Å; M471-I476 HydrophobicContact SD-CD1 4.05Å; S472-I476 PolarHBondContact O-N 2.89Å; L473-I476 PolarHBondContact O-N 3.29Å; I476-A478 VanDerWaalsContact C-N 3.35Å; I476-A478 PolarHBondContact O-N 3.08Å; I476-A479 PolarHBondContact O-N 3.07Å; I476-I480 HydrophobicContact CG2-CD1 3.79Å; I476-I480 WeakPolarHBondContact O-CG1 3.2Å; I476-I480 PolarHBondContact O-N 3.37Å; I476-F595 HydrophobicContact CG2-CE1 4.3Å
477	L	79.4	Confident	76.6	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-68.7	-34.4	-177.3	-63.8	178	0	0	0	111.6	L473 I480 V481 I505 L508 Q509 F595	L473-L477 HydrophobicContact CD1-CD1 3.81Å; L473-L477 HydrophobicContact CD1-CD2 4.35Å; L473-L477 HydrophobicContact CD1-CG 3.83Å; L473-L477 HydrophobicContact CD2-CD1 4.31Å; L473-L477 HydrophobicContact CG-CD1 3.79Å; L473-L477 HydrophobicContact CG-CG 4.19Å; L473-L477 WeakPolarHBondContact O-CG 3.3Å; L473-L477 PolarHBondContact O-N 2.93Å; L477-I480 HydrophobicContact CD2-CD1 4.41Å; L477-I480 PolarHBondContact O-N 3.24Å; L477-V481 WeakPolarHBondContact O-CB 3.5Å; L477-V481 WeakPolarHBondContact O-CG2 3.28Å; L477-V481 PolarHBondContact O-N 2.87Å; L477-I505 HydrophobicContact CB-CG2 4.11Å; L477-I505 HydrophobicContact CD1-CG2 4.36Å; L477-I505 HydrophobicContact CD2-CG1 4.43Å; L477-I505 HydrophobicContact CD2-CG2 4.28Å; L477-I505 HydrophobicContact CG-CG2 4.48Å; L477-L508 HydrophobicContact CD1-CD2 4.41Å; L477-L508 HydrophobicContact CD2-CD2 4.46Å; L477-Q509 HydrophobicContact CD1-CG 3.49Å; L477-Q509 VanDerWaalsContact CD1-CG 3.49Å; L477-F595 HydrophobicContact CD2-CZ 4.26Å
478	A	79.2	Confident	75.4	Confident	46 Å²	46	54.9 Å²	54.9	38%	0.38	31%	0.311	S	S	.	.	H	α-helix	trans	-63.2	-41.4	171.8	0	0	0	0	0	112.7	S474 T475 I476 V481 N482	S474-A478 VanDerWaalsContact O-CB 3.26Å; S474-A478 WeakPolarHBondContact O-CB 3.32Å; S474-A478 PolarHBondContact O-N 2.74Å; T475-A478 PolarHBondContact O-N 3.43Å; I476-A478 VanDerWaalsContact C-N 3.35Å; I476-A478 PolarHBondContact O-N 3.08Å; A478-V481 PolarHBondContact O-N 2.84Å; A478-N482 WeakPolarHBondContact O-CB 3.48Å; A478-N482 VanDerWaalsContact O-CG 3.22Å; A478-N482 PolarHBondContact O-N 3.12Å; A478-N482 PolarHBondContact O-ND2 2.94Å
479	A	77.6	Confident	74.3	Confident	34 Å²	34	61.7 Å²	61.7	28%	0.281	34%	0.339	S	S	.	.	H	α-helix	trans	-65.2	-42.5	176.2	0	0	0	0	0	112.2	L414 T475 I476 N482 H483	L414-A479 HydrophobicContact CD2-CB 3.49Å; L414-A479 VanDerWaalsContact CD2-CB 3.49Å; T475-A479 WeakPolarHBondContact O-CB 3.19Å; T475-A479 PolarHBondContact O-N 3.28Å; I476-A479 PolarHBondContact O-N 3.07Å; A479-N482 PolarHBondContact O-N 3.41Å; A479-H483 PolarHBondContact O-N 2.97Å
480	I	75.9	Confident	73.6	Confident	22 Å²	22	58.6 Å²	58.6	11%	0.113	33%	0.325	C	S	.	.	H	α-helix	trans	-63.7	-44	175.2	-66.3	167.5	0	0	0	110.9	I419 I476 L477 N482 H483 L484 I505 L594	I419-I480 HydrophobicContact CD1-CD1 4.37Å; I419-I480 HydrophobicContact CD1-CG1 4.19Å; I476-I480 HydrophobicContact CG2-CD1 3.79Å; I476-I480 WeakPolarHBondContact O-CG1 3.2Å; I476-I480 PolarHBondContact O-N 3.37Å; L477-I480 HydrophobicContact CD2-CD1 4.41Å; L477-I480 PolarHBondContact O-N 3.24Å; I480-N482 VanDerWaalsContact C-N 3.34Å; I480-N482 PolarHBondContact O-N 3.22Å; I480-H483 PolarHBondContact O-N 3.34Å; I480-L484 HydrophobicContact CG2-CD1 3.84Å; I480-L484 HydrophobicContact CG2-CG 4.34Å; I480-L484 WeakPolarHBondContact O-CB 3.4Å; I480-L484 VanDerWaalsContact O-CG 3.3Å; I480-L484 WeakPolarHBondContact O-CG 3.21Å; I480-L484 PolarHBondContact O-N 2.89Å; I480-I505 HydrophobicContact CG2-CD1 4.04Å; I480-L594 HydrophobicContact CG2-CD2 3.75Å
481	V	78.8	Confident	72.6	Confident	27 Å²	27	61.6 Å²	61.6	16%	0.164	34%	0.338	C	S	.	.	H	α-helix	trans	-57.9	-45.5	174.9	165.7	0	0	0	0	111.2	L477 A478 L484 Q485 M502 I505	L477-V481 WeakPolarHBondContact O-CB 3.5Å; L477-V481 WeakPolarHBondContact O-CG2 3.28Å; L477-V481 PolarHBondContact O-N 2.87Å; A478-V481 PolarHBondContact O-N 2.84Å; V481-L484 PolarHBondContact O-N 2.97Å; V481-Q485 WeakPolarHBondContact O-CB 3.31Å; V481-Q485 VanDerWaalsContact O-CG 3.28Å; V481-Q485 WeakPolarHBondContact O-CG 3.47Å; V481-Q485 PolarHBondContact O-N 3.44Å; V481-M502 HydrophobicContact CB-CE 4.44Å; V481-M502 HydrophobicContact CB-SD 4.49Å; V481-M502 HydrophobicContact CG1-CE 4.13Å; V481-M502 HydrophobicContact CG1-SD 4.21Å; V481-M502 HydrophobicContact CG2-CE 4.42Å; V481-M502 HydrophobicContact CG2-SD 3.9Å; V481-I505 HydrophobicContact CG2-CD1 3.95Å; V481-I505 HydrophobicContact CG2-CG2 4.1Å
482	N	78.2	Confident	72	Confident	89 Å²	89	68.5 Å²	68.5	48%	0.476	37%	0.368	S	S	.	.	H	α-helix	trans	-64.7	-41.4	177.2	-69.7	-18.9	0	0	0	112.2	A478 A479 I480 Q485 N486	A478-N482 WeakPolarHBondContact O-CB 3.48Å; A478-N482 VanDerWaalsContact O-CG 3.22Å; A478-N482 PolarHBondContact O-N 3.12Å; A478-N482 PolarHBondContact O-ND2 2.94Å; A479-N482 PolarHBondContact O-N 3.41Å; I480-N482 VanDerWaalsContact C-N 3.34Å; I480-N482 PolarHBondContact O-N 3.22Å; N482-Q485 PolarHBondContact O-N 3.05Å; N482-N486 PolarHBondContact O-N 2.68Å
483	H	75.3	Confident	71.5	Confident	117 Å²	117	70 Å²	70	54%	0.542	37%	0.373	S	S	.	.	H	α-helix	trans	-61.9	-45.2	175.4	-177.7	-76.1	0	0	0	111.8	A479 I480 N486 S487	A479-H483 PolarHBondContact O-N 2.97Å; I480-H483 PolarHBondContact O-N 3.34Å; H483-N486 PolarHBondContact O-N 3.35Å; H483-S487 PolarHBondContact ND1-OG 2.98Å; H483-S487 WeakPolarHBondContact O-CB 3.37Å; H483-S487 PolarHBondContact O-N 2.79Å; H483-S487 PolarHBondContact O-OG 3.41Å
484	L	71.3	Confident	71.2	Confident	18 Å²	18	73.5 Å²	73.5	9%	0.094	40%	0.398	C	S	.	.	H	α-helix	trans	-62.5	-41.5	175.6	-70.8	167.8	0	0	0	111.5	I480 V481 S487 I488 L493 V501 M502 I505	I480-L484 HydrophobicContact CG2-CD1 3.84Å; I480-L484 HydrophobicContact CG2-CG 4.34Å; I480-L484 WeakPolarHBondContact O-CB 3.4Å; I480-L484 VanDerWaalsContact O-CG 3.3Å; I480-L484 WeakPolarHBondContact O-CG 3.21Å; I480-L484 PolarHBondContact O-N 2.89Å; V481-L484 PolarHBondContact O-N 2.97Å; L484-S487 WeakPolarHBondContact O-CB 3.45Å; L484-S487 PolarHBondContact O-N 3.46Å; L484-I488 PolarHBondContact O-N 2.84Å; L484-L493 HydrophobicContact CD2-CD1 4.34Å; L484-V501 HydrophobicContact CD1-CB 4.5Å; L484-V501 HydrophobicContact CD1-CG1 3.59Å; L484-M502 HydrophobicContact CB-CE 3.65Å; L484-M502 HydrophobicContact CD1-CE 3.98Å; L484-M502 HydrophobicContact CG-CE 4.49Å; L484-I505 HydrophobicContact CD1-CD1 4.03Å
485	Q	70.5	Confident	71	Confident	93 Å²	93	71.2 Å²	71.2	44%	0.435	39%	0.388	S	S	.	.	H	α-helix	trans	-65	-38.9	176.4	-74.8	175.3	9.3	0	0	112.8	V481 N482 S487 I488 M502	V481-Q485 WeakPolarHBondContact O-CB 3.31Å; V481-Q485 VanDerWaalsContact O-CG 3.28Å; V481-Q485 WeakPolarHBondContact O-CG 3.47Å; V481-Q485 PolarHBondContact O-N 3.44Å; N482-Q485 PolarHBondContact O-N 3.05Å; Q485-S487 VanDerWaalsContact C-N 3.34Å; Q485-I488 WeakPolarHBondContact O-CB 3.31Å; Q485-I488 PolarHBondContact O-N 3.28Å; Q485-M502 HydrophobicContact CG-CE 4.23Å
486	N	69.9	Low	70.9	Confident	99 Å²	99	71.8 Å²	71.8	53%	0.529	39%	0.388	S	S	.	.	H	α-helix	trans	-67	-36.9	172.4	-68.8	-12.2	0	0	0	111.4	N482 H483 I488 Q489	N482-N486 PolarHBondContact O-N 2.68Å; H483-N486 PolarHBondContact O-N 3.35Å; N486-I488 PolarHBondContact O-N 2.9Å; N486-Q489 WeakPolarHBondContact O-CB 3.46Å; N486-Q489 PolarHBondContact O-N 3.36Å
487	S	64.8	Low	70.9	Confident	14 Å²	14	77.6 Å²	77.6	10%	0.098	41%	0.41	C	S	.	.	H	α-helix	trans	-64.4	-20.8	176.7	-55.4	0	0	0	0	113.6	H483 L484 Q485	H483-S487 PolarHBondContact ND1-OG 2.98Å; H483-S487 WeakPolarHBondContact O-CB 3.37Å; H483-S487 PolarHBondContact O-N 2.79Å; H483-S487 PolarHBondContact O-OG 3.41Å; L484-S487 WeakPolarHBondContact O-CB 3.45Å; L484-S487 PolarHBondContact O-N 3.46Å; Q485-S487 VanDerWaalsContact C-N 3.34Å
488	I	61.7	Low	70.8	Confident	91 Å²	91	78.2 Å²	78.2	47%	0.467	41%	0.414	S	S	.	.	H	α-helix	trans	-66.4	-40.3	169.4	-61.2	167.3	0	0	0	110.6	L484 Q485 N486 E490 D491 I498	L484-I488 PolarHBondContact O-N 2.84Å; Q485-I488 WeakPolarHBondContact O-CB 3.31Å; Q485-I488 PolarHBondContact O-N 3.28Å; N486-I488 PolarHBondContact O-N 2.9Å; I488-E490 PolarHBondContact O-N 3.32Å; I488-D491 PolarHBondContact O-N 2.84Å; I488-D491 VanDerWaalsContact O-N 3.15Å; I488-I498 HydrophobicContact CD1-CD1 4.26Å; I488-I498 HydrophobicContact CD1-CG2 4.39Å; I488-I498 HydrophobicContact CG1-CD1 3.49Å; I488-I498 VanDerWaalsContact CG1-CD1 3.49Å
489	Q	59.7	Low	71.1	Confident	165 Å²	165	82.3 Å²	82.3	77%	0.771	42%	0.423	S	S	*	.	H	α-helix	trans	-71.1	-18.2	-177.2	-56.2	-175	21.8	0	0	112.5	N486	N486-Q489 WeakPolarHBondContact O-CB 3.46Å; N486-Q489 PolarHBondContact O-N 3.36Å
490	E	62.6	Low	71.5	Confident	120 Å²	120	86 Å²	86	56%	0.561	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	2.2	174.5	-58.6	-168.2	150.4	0	0	113.7	I488 K492	I488-E490 PolarHBondContact O-N 3.32Å; E490-K492 HydrophobicContact CB-CD 4.07Å; E490-K492 HydrophobicContact CB-CG 4.25Å; E490-K492 PolarHBondContact O-N 3.44Å; E490-K492 WeakPolarHBondContact OE2-CE 3.44Å; E490-K492 IonicContact OE2-NZ 3.85Å; E490-K492 PolarHBondContact OE2-NZ 2.97Å
491	D	55.8	Low	71.9	Confident	151 Å²	151	85.2 Å²	85.2	81%	0.807	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	20.4	176.3	-147.4	23.1	0	0	0	115.4	I488	I488-D491 PolarHBondContact O-N 2.84Å; I488-D491 VanDerWaalsContact O-N 3.15Å
492	K	60.5	Low	72.2	Confident	146 Å²	146	86.2 Å²	86.2	64%	0.635	43%	0.434	S	S	*	.			trans	-80.8	-13	-174.8	-75	170.3	-176.3	168.9	0	114.9	E490	E490-K492 HydrophobicContact CB-CD 4.07Å; E490-K492 HydrophobicContact CB-CG 4.25Å; E490-K492 PolarHBondContact O-N 3.44Å; E490-K492 WeakPolarHBondContact OE2-CE 3.44Å; E490-K492 IonicContact OE2-NZ 3.85Å; E490-K492 PolarHBondContact OE2-NZ 2.97Å
493	L	64.4	Low	72.8	Confident	61 Å²	61	86.9 Å²	86.9	32%	0.319	43%	0.434	S	S	.	.	S	Bend	trans	-136.2	129	-169	-69.7	176.6	0	0	0	111.7	L484 G495 I498	L484-L493 HydrophobicContact CD2-CD1 4.34Å; L493-G495 PolarHBondContact O-N 3.1Å; L493-I498 HydrophobicContact CB-CD1 3.86Å; L493-I498 HydrophobicContact CB-CG1 4.09Å
494	S	73.9	Confident	73.5	Confident	80 Å²	80	81.6 Å²	81.6	56%	0.559	41%	0.41	S	S	*	.			trans	-59.8	128	174.1	174	0	0	0	0	111.2	D496 R497 I498	S494-D496 PolarHBondContact O-N 3.45Å; S494-R497 WeakPolarHBondContact O-CB 3.49Å; S494-R497 PolarHBondContact O-N 2.86Å; S494-I498 PolarHBondContact O-N 3.49Å
495	G	73.3	Confident	74.3	Confident	42 Å²	42	80.9 Å²	80.9	43%	0.433	41%	0.406	S	S	.	.	H	α-helix	trans	-57.6	-22.2	-177	0	0	0	0	0	114.8	L493 K499	L493-G495 PolarHBondContact O-N 3.1Å; G495-K499 WeakPolarHBondContact O-CG 3.44Å; G495-K499 PolarHBondContact O-N 2.9Å; G495-K499 VanDerWaalsContact O-N 3.11Å
496	D	77.1	Confident	75.1	Confident	92 Å²	92	83.9 Å²	83.9	49%	0.492	41%	0.413	S	S	.	.	H	α-helix	trans	-76.8	-33	175	-70	-35.2	0	0	0	113.2	S494 I498 K499 Q500	S494-D496 PolarHBondContact O-N 3.45Å; D496-I498 VanDerWaalsContact C-N 3.31Å; D496-K499 PolarHBondContact O-N 3.03Å; D496-K499 WeakPolarHBondContact OD1-CE 3.38Å; D496-K499 IonicContact OD1-NZ 2.73Å; D496-K499 PolarHBondContact OD1-NZ 3.43Å; D496-Q500 WeakPolarHBondContact O-CG 3.32Å; D496-Q500 PolarHBondContact O-N 2.83Å
497	R	79	Confident	76.1	Confident	122 Å²	122	82.3 Å²	82.3	46%	0.46	40%	0.402	S	S	.	.	H	α-helix	trans	-64.2	-41.2	169.9	-171.9	-179.9	-173.4	149.1	7.9	110	S494 K499 Q500 V501 E593	S494-R497 WeakPolarHBondContact O-CB 3.49Å; S494-R497 PolarHBondContact O-N 2.86Å; R497-K499 VanDerWaalsContact C-N 3.35Å; R497-K499 PolarHBondContact O-N 3.44Å; R497-Q500 WeakPolarHBondContact O-CB 3.39Å; R497-Q500 PolarHBondContact O-N 3.21Å; R497-V501 WeakPolarHBondContact O-CG2 3.49Å; R497-V501 PolarHBondContact O-N 3.05Å; R497-E593 IonicContact CZ-OE1 3.6Å; R497-E593 IonicContact CZ-OE2 2.68Å; R497-E593 IonicContact NE-OE1 2.74Å; R497-E593 PolarHBondContact NE-OE1 3.38Å; R497-E593 IonicContact NE-OE2 2.61Å; R497-E593 PolarHBondContact NE-OE2 3.5Å; R497-E593 IonicContact NH2-OE1 3.81Å; R497-E593 PolarHBondContact NH2-OE1 3.04Å; R497-E593 IonicContact NH2-OE2 2.76Å; R497-E593 PolarHBondContact NH2-OE2 2.88Å
498	I	78.1	Confident	77.3	Confident	14 Å²	14	81.6 Å²	81.6	7%	0.072	40%	0.397	C	S	.	.	H	α-helix	trans	-63.9	-39.7	179.1	-55.5	178.1	0	0	0	111.1	I488 L493 S494 D496 Q500 V501 M502	I488-I498 HydrophobicContact CD1-CD1 4.26Å; I488-I498 HydrophobicContact CD1-CG2 4.39Å; I488-I498 HydrophobicContact CG1-CD1 3.49Å; I488-I498 VanDerWaalsContact CG1-CD1 3.49Å; L493-I498 HydrophobicContact CB-CD1 3.86Å; L493-I498 HydrophobicContact CB-CG1 4.09Å; S494-I498 PolarHBondContact O-N 3.49Å; D496-I498 VanDerWaalsContact C-N 3.31Å; I498-Q500 PolarHBondContact O-N 2.87Å; I498-V501 PolarHBondContact O-N 3.37Å; I498-M502 HydrophobicContact CG2-CE 4.24Å; I498-M502 HydrophobicContact CG2-CG 4.13Å; I498-M502 WeakPolarHBondContact O-CB 3.38Å; I498-M502 WeakPolarHBondContact O-CG 3.37Å; I498-M502 PolarHBondContact O-N 3.41Å
499	K	83.9	Confident	78.6	Confident	131 Å²	131	80.2 Å²	80.2	57%	0.57	39%	0.389	S	S	*	.	H	α-helix	trans	-57.8	-47.6	171.9	-69.7	166.5	-160.4	165.8	0	111.7	G495 D496 R497 V501 M502 E503	G495-K499 WeakPolarHBondContact O-CG 3.44Å; G495-K499 PolarHBondContact O-N 2.9Å; G495-K499 VanDerWaalsContact O-N 3.11Å; D496-K499 PolarHBondContact O-N 3.03Å; D496-K499 WeakPolarHBondContact OD1-CE 3.38Å; D496-K499 IonicContact OD1-NZ 2.73Å; D496-K499 PolarHBondContact OD1-NZ 3.43Å; R497-K499 VanDerWaalsContact C-N 3.35Å; R497-K499 PolarHBondContact O-N 3.44Å; K499-V501 PolarHBondContact O-N 3.35Å; K499-M502 PolarHBondContact O-N 3.27Å; K499-E503 VanDerWaalsContact O-CB 3.28Å; K499-E503 WeakPolarHBondContact O-CB 3.41Å; K499-E503 PolarHBondContact O-N 2.93Å
500	Q	86.2	Confident	80.1	Confident	113 Å²	113	77 Å²	77	53%	0.528	37%	0.374	S	S	.	.	H	α-helix	trans	-61	-44.1	179.4	-67.6	168.9	1.9	0	0	112	D496 R497 I498 H504 I590	D496-Q500 WeakPolarHBondContact O-CG 3.32Å; D496-Q500 PolarHBondContact O-N 2.83Å; R497-Q500 WeakPolarHBondContact O-CB 3.39Å; R497-Q500 PolarHBondContact O-N 3.21Å; I498-Q500 PolarHBondContact O-N 2.87Å; Q500-H504 WeakPolarHBondContact O-CB 3.42Å; Q500-H504 PolarHBondContact O-N 3.05Å; Q500-I590 HydrophobicContact CB-CD1 4.28Å
501	V	85.9	Confident	81.5	Confident	4 Å²	4	71.6 Å²	71.6	2%	0.024	35%	0.348	C	S	.	.	H	α-helix	trans	-66.6	-44.3	177.9	178.3	0	0	0	0	111.3	L484 R497 I498 K499 H504 I505 I590 L594	L484-V501 HydrophobicContact CD1-CB 4.5Å; L484-V501 HydrophobicContact CD1-CG1 3.59Å; R497-V501 WeakPolarHBondContact O-CG2 3.49Å; R497-V501 PolarHBondContact O-N 3.05Å; I498-V501 PolarHBondContact O-N 3.37Å; K499-V501 PolarHBondContact O-N 3.35Å; V501-H504 WeakPolarHBondContact O-CB 3.38Å; V501-H504 PolarHBondContact O-N 2.7Å; V501-I505 HydrophobicContact CG1-CD1 4.08Å; V501-I505 WeakPolarHBondContact O-CG1 3.38Å; V501-I505 PolarHBondContact O-N 3.18Å; V501-I590 HydrophobicContact CG2-CG2 4.23Å; V501-L594 HydrophobicContact CG1-CD2 3.73Å; V501-L594 HydrophobicContact CG1-CG 4.38Å
502	M	84.9	Confident	83.2	Confident	48 Å²	48	64.8 Å²	64.8	24%	0.236	31%	0.312	C	S	.	.	H	α-helix	trans	-64.4	-40.1	176.7	-68.8	-72.9	176	0	0	112.4	V481 L484 Q485 I498 K499 H504 I505 W506	V481-M502 HydrophobicContact CB-CE 4.44Å; V481-M502 HydrophobicContact CB-SD 4.49Å; V481-M502 HydrophobicContact CG1-CE 4.13Å; V481-M502 HydrophobicContact CG1-SD 4.21Å; V481-M502 HydrophobicContact CG2-CE 4.42Å; V481-M502 HydrophobicContact CG2-SD 3.9Å; L484-M502 HydrophobicContact CB-CE 3.65Å; L484-M502 HydrophobicContact CD1-CE 3.98Å; L484-M502 HydrophobicContact CG-CE 4.49Å; Q485-M502 HydrophobicContact CG-CE 4.23Å; I498-M502 HydrophobicContact CG2-CE 4.24Å; I498-M502 HydrophobicContact CG2-CG 4.13Å; I498-M502 WeakPolarHBondContact O-CB 3.38Å; I498-M502 WeakPolarHBondContact O-CG 3.37Å; I498-M502 PolarHBondContact O-N 3.41Å; K499-M502 PolarHBondContact O-N 3.27Å; M502-H504 VanDerWaalsContact C-N 3.32Å; M502-H504 PolarHBondContact O-N 2.91Å; M502-I505 PolarHBondContact O-N 3.28Å; M502-W506 WeakPolarHBondContact O-CB 3.33Å; M502-W506 PolarHBondContact O-N 3.39Å
503	E	89.6	Confident	84.6	Confident	103 Å²	103	62.3 Å²	62.3	48%	0.481	31%	0.306	S	S	.	.	H	α-helix	trans	-63.6	-38.5	174.6	-169.2	-170	152.4	0	0	111.3	K499 W506 K507	K499-E503 VanDerWaalsContact O-CB 3.28Å; K499-E503 WeakPolarHBondContact O-CB 3.41Å; K499-E503 PolarHBondContact O-N 2.93Å; E503-W506 PolarHBondContact O-N 2.95Å; E503-K507 HydrophobicContact CG-CD 4.48Å; E503-K507 WeakPolarHBondContact O-CB 3.48Å; E503-K507 VanDerWaalsContact O-CG 3.28Å; E503-K507 WeakPolarHBondContact O-CG 3.28Å; E503-K507 PolarHBondContact O-N 3.47Å; E503-K507 WeakPolarHBondContact OE1-CE 3.3Å; E503-K507 IonicContact OE1-NZ 2.66Å; E503-K507 PolarHBondContact OE1-NZ 3.18Å
504	H	89.5	Confident	85.9	Confident	6 Å²	6	60 Å²	60	3%	0.028	30%	0.295	C	S	.	.	H	α-helix	trans	-67.8	-45.3	175.3	-165.1	-90	0	0	0	112.3	Q500 V501 M502 W506 K507 L508 S587 I590 T591	Q500-H504 WeakPolarHBondContact O-CB 3.42Å; Q500-H504 PolarHBondContact O-N 3.05Å; V501-H504 WeakPolarHBondContact O-CB 3.38Å; V501-H504 PolarHBondContact O-N 2.7Å; M502-H504 VanDerWaalsContact C-N 3.32Å; M502-H504 PolarHBondContact O-N 2.91Å; H504-W506 VanDerWaalsContact C-N 3.3Å; H504-W506 PolarHBondContact O-N 3.47Å; H504-K507 PolarHBondContact O-N 3.39Å; H504-L508 WeakPolarHBondContact O-CB 3.48Å; H504-L508 PolarHBondContact O-N 2.94Å; H504-S587 PolarHBondContact CD2-N 3.38Å; H504-S587 PolarHBondContact NE2-N 2.82Å; H504-S587 PolarHBondContact NE2-O 3Å; H504-I590 HydrophobicContact CB-CB 4.3Å; H504-I590 HydrophobicContact CB-CD1 4.22Å; H504-I590 HydrophobicContact CB-CG2 3.6Å; H504-T591 PolarHBondContact CE1-OG1 2.89Å
505	I	88.1	Confident	86.8	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-56.3	-46	173.4	-70	170.2	0	0	0	110.3	L477 I480 V481 L484 V501 M502 L508 Q509 L594	L477-I505 HydrophobicContact CB-CG2 4.11Å; L477-I505 HydrophobicContact CD1-CG2 4.36Å; L477-I505 HydrophobicContact CD2-CG1 4.43Å; L477-I505 HydrophobicContact CD2-CG2 4.28Å; L477-I505 HydrophobicContact CG-CG2 4.48Å; I480-I505 HydrophobicContact CG2-CD1 4.04Å; V481-I505 HydrophobicContact CG2-CD1 3.95Å; V481-I505 HydrophobicContact CG2-CG2 4.1Å; L484-I505 HydrophobicContact CD1-CD1 4.03Å; V501-I505 HydrophobicContact CG1-CD1 4.08Å; V501-I505 WeakPolarHBondContact O-CG1 3.38Å; V501-I505 PolarHBondContact O-N 3.18Å; M502-I505 PolarHBondContact O-N 3.28Å; I505-L508 PolarHBondContact O-N 3.49Å; I505-Q509 WeakPolarHBondContact O-CG 3.48Å; I505-Q509 PolarHBondContact O-N 3.13Å; I505-L594 HydrophobicContact CD1-CD2 3.81Å; I505-L594 HydrophobicContact CG1-CD1 4.03Å; I505-L594 HydrophobicContact CG1-CD2 3.8Å
506	W	88.8	Confident	87.5	Confident	155 Å²	155	56.9 Å²	56.9	59%	0.587	27%	0.27	S	S	*	.	H	α-helix	trans	-64.1	-45	178.7	179.2	77.1	0	0	0	112.5	M502 E503 H504 L508 Q509 E510	M502-W506 WeakPolarHBondContact O-CB 3.33Å; M502-W506 PolarHBondContact O-N 3.39Å; E503-W506 PolarHBondContact O-N 2.95Å; H504-W506 VanDerWaalsContact C-N 3.3Å; H504-W506 PolarHBondContact O-N 3.47Å; W506-L508 VanDerWaalsContact C-N 3.31Å; W506-L508 PolarHBondContact O-N 3.27Å; W506-Q509 PolarHBondContact O-N 2.96Å; W506-E510 WeakPolarHBondContact O-CB 3.5Å; W506-E510 PolarHBondContact O-N 2.72Å
507	K	90.7	Very high	88.2	Confident	66 Å²	66	61.1 Å²	61.1	29%	0.287	28%	0.284	S	S	.	.	H	α-helix	trans	-59	-41.1	174.4	-75.7	169.3	-176.2	166.7	0	112.2	E503 H504 E510 F511 M586	E503-K507 HydrophobicContact CG-CD 4.48Å; E503-K507 WeakPolarHBondContact O-CB 3.48Å; E503-K507 VanDerWaalsContact O-CG 3.28Å; E503-K507 WeakPolarHBondContact O-CG 3.28Å; E503-K507 PolarHBondContact O-N 3.47Å; E503-K507 WeakPolarHBondContact OE1-CE 3.3Å; E503-K507 IonicContact OE1-NZ 2.66Å; E503-K507 PolarHBondContact OE1-NZ 3.18Å; H504-K507 PolarHBondContact O-N 3.39Å; K507-E510 PolarHBondContact O-N 3.01Å; K507-F511 WeakPolarHBondContact O-CB 3.41Å; K507-F511 PolarHBondContact O-N 3.31Å; K507-M586 HydrophobicContact CB-CE 3.69Å; K507-M586 HydrophobicContact CB-SD 4.13Å; K507-M586 HydrophobicContact CD-CE 4.1Å; K507-M586 HydrophobicContact CG-CE 4.35Å
508	L	90.3	Very high	88.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.7	-42.3	178.2	-173.3	63.9	0	0	0	111.7	T461 L464 L477 H504 I505 W506 F511 C512 F595	T461-L508 HydrophobicContact CG2-CD1 3.66Å; L464-L508 HydrophobicContact CD2-CD1 4.07Å; L464-L508 HydrophobicContact CD2-CD2 3.92Å; L464-L508 HydrophobicContact CD2-CG 4.26Å; L477-L508 HydrophobicContact CD1-CD2 4.41Å; L477-L508 HydrophobicContact CD2-CD2 4.46Å; H504-L508 WeakPolarHBondContact O-CB 3.48Å; H504-L508 PolarHBondContact O-N 2.94Å; I505-L508 PolarHBondContact O-N 3.49Å; W506-L508 VanDerWaalsContact C-N 3.31Å; W506-L508 PolarHBondContact O-N 3.27Å; L508-F511 PolarHBondContact O-N 2.86Å; L508-C512 PolarHBondContact O-N 3.45Å; L508-C512 PolarHBondContact O-SG 3.34Å; L508-C512 VanDerWaalsContact O-SG 3.37Å; L508-F595 HydrophobicContact CD2-CE2 3.83Å; L508-F595 HydrophobicContact CD2-CZ 4Å
509	Q	89.2	Confident	89.1	Confident	62 Å²	62	62.1 Å²	62.1	29%	0.29	30%	0.298	S	S	.	.	H	α-helix	trans	-61.6	-49.5	173.3	-73.7	175.6	-13	0	0	111.5	L477 I505 W506 F511 C512 N513	L477-Q509 HydrophobicContact CD1-CG 3.49Å; L477-Q509 VanDerWaalsContact CD1-CG 3.49Å; I505-Q509 WeakPolarHBondContact O-CG 3.48Å; I505-Q509 PolarHBondContact O-N 3.13Å; W506-Q509 PolarHBondContact O-N 2.96Å; Q509-F511 VanDerWaalsContact C-N 3.33Å; Q509-F511 PolarHBondContact O-N 3.3Å; Q509-C512 PolarHBondContact O-N 2.92Å; Q509-N513 VanDerWaalsContact O-CB 3.27Å; Q509-N513 WeakPolarHBondContact O-CB 3.35Å; Q509-N513 PolarHBondContact O-N 2.9Å; Q509-N513 PolarHBondContact O-ND2 3.25Å
510	E	90.4	Very high	89.4	Confident	97 Å²	97	56.7 Å²	56.7	45%	0.453	28%	0.275	S	S	.	.	H	α-helix	trans	-64.6	-36.8	179.6	-176.8	56.6	-158.3	0	0	111.8	W506 K507 S514	W506-E510 WeakPolarHBondContact O-CB 3.5Å; W506-E510 PolarHBondContact O-N 2.72Å; K507-E510 PolarHBondContact O-N 3.01Å; E510-S514 VanDerWaalsContact O-CB 3.26Å; E510-S514 WeakPolarHBondContact O-CB 3.25Å; E510-S514 PolarHBondContact O-N 3.17Å; E510-S514 PolarHBondContact O-OG 2.68Å
511	F	92.4	Very high	89.6	Confident	7 Å²	7	52.7 Å²	52.7	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-58.6	-58.6	171.6	-178.6	-97.6	0	0	0	111	T461 L462 A465 K507 L508 Q509 N513 S514 M515 R579 A582 L583	T461-F511 HydrophobicContact CG2-CD1 3.67Å; T461-F511 HydrophobicContact CG2-CE1 3.78Å; T461-F511 HydrophobicContact CG2-CG 4.45Å; L462-F511 HydrophobicContact CD2-CE1 4.39Å; L462-F511 HydrophobicContact CD2-CZ 3.97Å; A465-F511 HydrophobicContact CB-CD1 4.35Å; A465-F511 HydrophobicContact CB-CE1 3.98Å; K507-F511 WeakPolarHBondContact O-CB 3.41Å; K507-F511 PolarHBondContact O-N 3.31Å; L508-F511 PolarHBondContact O-N 2.86Å; Q509-F511 VanDerWaalsContact C-N 3.33Å; Q509-F511 PolarHBondContact O-N 3.3Å; F511-N513 VanDerWaalsContact C-N 3.33Å; F511-N513 PolarHBondContact O-N 3.01Å; F511-S514 PolarHBondContact O-N 2.99Å; F511-S514 PolarHBondContact O-OG 3.42Å; F511-M515 HydrophobicContact CD1-CG 4.04Å; F511-M515 HydrophobicContact CE1-CG 3.66Å; F511-M515 HydrophobicContact CE1-SD 4.22Å; F511-M515 HydrophobicContact CE2-CG 4.18Å; F511-M515 HydrophobicContact CE2-SD 4.08Å; F511-M515 HydrophobicContact CG-CG 4.45Å; F511-M515 HydrophobicContact CZ-CE 4.2Å; F511-M515 HydrophobicContact CZ-CG 3.72Å; F511-M515 HydrophobicContact CZ-SD 3.69Å; F511-M515 VanDerWaalsContact O-CG 3.28Å; F511-M515 WeakPolarHBondContact O-CG 3.35Å; F511-M515 PolarHBondContact O-N 3.43Å; F511-R579 HydrophobicContact CE2-CB 4.26Å; F511-A582 HydrophobicContact CD2-CB 4.36Å; F511-L583 HydrophobicContact CE1-CD1 4.1Å; F511-L583 HydrophobicContact CE2-CB 4.23Å; F511-L583 HydrophobicContact CE2-CD1 4.16Å; F511-L583 HydrophobicContact CZ-CD1 3.79Å
512	C	91.4	Very high	89.7	Confident	8 Å²	8	53.7 Å²	53.7	5%	0.054	27%	0.269	C	S	.	.	H	α-helix	trans	-58.3	-41.5	-179.7	-69	0	0	0	0	112.5	L473 L508 Q509 M515 A516	L473-C512 HydrophobicContact CD2-CB 4.18Å; L508-C512 PolarHBondContact O-N 3.45Å; L508-C512 PolarHBondContact O-SG 3.34Å; L508-C512 VanDerWaalsContact O-SG 3.37Å; Q509-C512 PolarHBondContact O-N 2.92Å; C512-M515 PolarHBondContact O-N 2.86Å; C512-A516 WeakPolarHBondContact O-CB 3.43Å; C512-A516 PolarHBondContact O-N 2.69Å
513	N	90	Very high	89.9	Confident	93 Å²	93	55.3 Å²	55.3	50%	0.497	27%	0.273	S	S	.	.	H	α-helix	trans	-62.9	-41.2	174.8	-70.9	-22.7	0	0	0	111.8	Q509 F511 A516 K517	Q509-N513 VanDerWaalsContact O-CB 3.27Å; Q509-N513 WeakPolarHBondContact O-CB 3.35Å; Q509-N513 PolarHBondContact O-N 2.9Å; Q509-N513 PolarHBondContact O-ND2 3.25Å; F511-N513 VanDerWaalsContact C-N 3.33Å; F511-N513 PolarHBondContact O-N 3.01Å; N513-A516 PolarHBondContact O-N 3.02Å; N513-K517 WeakPolarHBondContact O-CB 3.33Å; N513-K517 PolarHBondContact O-N 2.94Å
514	S	91.7	Very high	90.1	Very high	14 Å²	14	50.4 Å²	50.4	10%	0.098	25%	0.25	C	C	.	.	H	α-helix	trans	-70.5	-31.5	178.4	82.5	0	0	0	0	113	E510 F511 L518 R579	E510-S514 VanDerWaalsContact O-CB 3.26Å; E510-S514 WeakPolarHBondContact O-CB 3.25Å; E510-S514 PolarHBondContact O-N 3.17Å; E510-S514 PolarHBondContact O-OG 2.68Å; F511-S514 PolarHBondContact O-N 2.99Å; F511-S514 PolarHBondContact O-OG 3.42Å; S514-L518 WeakPolarHBondContact O-CG 3.25Å; S514-L518 PolarHBondContact O-N 3.18Å; S514-R579 PolarHBondContact OG-NH1 3.06Å
515	M	91.4	Very high	90.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-70.2	-45.5	173.6	-65.4	-70.6	-71.8	0	0	111.1	L462 A465 F511 C512 L518 I520 Y525 L528 R579	L462-M515 HydrophobicContact CD2-CE 3.74Å; A465-M515 HydrophobicContact CB-CB 4.25Å; A465-M515 HydrophobicContact CB-CG 4.2Å; F511-M515 HydrophobicContact CD1-CG 4.04Å; F511-M515 HydrophobicContact CE1-CG 3.66Å; F511-M515 HydrophobicContact CE1-SD 4.22Å; F511-M515 HydrophobicContact CE2-CG 4.18Å; F511-M515 HydrophobicContact CE2-SD 4.08Å; F511-M515 HydrophobicContact CG-CG 4.45Å; F511-M515 HydrophobicContact CZ-CE 4.2Å; F511-M515 HydrophobicContact CZ-CG 3.72Å; F511-M515 HydrophobicContact CZ-SD 3.69Å; F511-M515 VanDerWaalsContact O-CG 3.28Å; F511-M515 WeakPolarHBondContact O-CG 3.35Å; F511-M515 PolarHBondContact O-N 3.43Å; C512-M515 PolarHBondContact O-N 2.86Å; M515-L518 PolarHBondContact O-N 3.39Å; M515-I520 HydrophobicContact CB-CD1 4.26Å; M515-I520 HydrophobicContact CE-CD1 3.5Å; M515-I520 HydrophobicContact SD-CD1 3.54Å; M515-I520 VanDerWaalsContact SD-CD1 3.54Å; M515-Y525 HydrophobicContact CE-CD1 4.14Å; M515-Y525 HydrophobicContact CE-CE1 3.42Å; M515-Y525 VanDerWaalsContact CE-CE1 3.42Å; M515-L528 HydrophobicContact CE-CD1 3.84Å; M515-R579 HydrophobicContact SD-CB 3.86Å; M515-R579 HydrophobicContact SD-CG 3.67Å
516	A	89.8	Confident	90.4	Very high	56 Å²	56	50.7 Å²	50.7	46%	0.463	25%	0.251	S	S	.	.	H	α-helix	trans	-61.8	-42.8	174.8	0	0	0	0	0	111.9	C512 N513 L518 D519	C512-A516 WeakPolarHBondContact O-CB 3.43Å; C512-A516 PolarHBondContact O-N 2.69Å; N513-A516 PolarHBondContact O-N 3.02Å; A516-L518 PolarHBondContact O-N 3.35Å; A516-D519 PolarHBondContact O-N 3.24Å
517	K	90.8	Very high	90.6	Very high	181 Å²	181	44.5 Å²	44.5	79%	0.787	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-13.8	178.3	-177.3	173.9	177.2	-178.4	0	114.6	N513	N513-K517 WeakPolarHBondContact O-CB 3.33Å; N513-K517 PolarHBondContact O-N 2.94Å
518	L	88.9	Confident	90.8	Very high	27 Å²	27	41.4 Å²	41.4	14%	0.141	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-5.2	172.9	-75.6	171	0	0	0	112.8	S514 M515 A516 I520 R572 R575 R579	S514-L518 WeakPolarHBondContact O-CG 3.25Å; S514-L518 PolarHBondContact O-N 3.18Å; M515-L518 PolarHBondContact O-N 3.39Å; A516-L518 PolarHBondContact O-N 3.35Å; L518-I520 VanDerWaalsContact C-N 3.31Å; L518-I520 HydrophobicContact CB-CD1 3.97Å; L518-I520 HydrophobicContact CB-CG1 3.67Å; L518-I520 HydrophobicContact CD1-CD1 4.13Å; L518-I520 PolarHBondContact O-N 2.85Å; L518-R572 PolarHBondContact O-NH1 2.94Å; L518-R572 PolarHBondContact O-NH2 3.24Å; L518-R575 HydrophobicContact CD2-CB 4.06Å; L518-R579 HydrophobicContact CD1-CG 3.96Å
519	D	88.1	Confident	90.9	Very high	129 Å²	129	41.5 Å²	41.5	69%	0.69	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.7	53.3	-174	-65.4	-58.3	0	0	0	111.3	A516 R572	A516-D519 PolarHBondContact O-N 3.24Å; D519-R572 PolarHBondContact O-NH2 3.23Å
520	I	90.2	Very high	91.1	Very high	17 Å²	17	38.6 Å²	38.6	9%	0.087	20%	0.201	C	C	.	.			trans	-71.6	127.8	-176.3	-63.5	173.3	0	0	0	109.9	M515 L518 E524 Y525 L528 I576	M515-I520 HydrophobicContact CB-CD1 4.26Å; M515-I520 HydrophobicContact CE-CD1 3.5Å; M515-I520 HydrophobicContact SD-CD1 3.54Å; M515-I520 VanDerWaalsContact SD-CD1 3.54Å; L518-I520 VanDerWaalsContact C-N 3.31Å; L518-I520 HydrophobicContact CB-CD1 3.97Å; L518-I520 HydrophobicContact CB-CG1 3.67Å; L518-I520 HydrophobicContact CD1-CD1 4.13Å; L518-I520 PolarHBondContact O-N 2.85Å; I520-E524 WeakPolarHBondContact CA-OE2 3.35Å; I520-E524 HydrophobicContact CG2-CB 3.66Å; I520-Y525 HydrophobicContact CB-CD2 4.21Å; I520-Y525 HydrophobicContact CB-CE2 3.83Å; I520-Y525 HydrophobicContact CG2-CD1 4.5Å; I520-Y525 HydrophobicContact CG2-CD2 3.62Å; I520-Y525 HydrophobicContact CG2-CE2 3.73Å; I520-Y525 HydrophobicContact CG2-CG 4.02Å; I520-Y525 WeakPolarHBondContact O-CE2 3.28Å; I520-L528 HydrophobicContact CG2-CD1 4.41Å; I520-I576 HydrophobicContact CG1-CG1 4.45Å
521	D	89.8	Confident	91.3	Very high	30 Å²	30	34.2 Å²	34.2	16%	0.16	18%	0.181	C	C	.	.			trans	-87.3	173.5	-175.8	75.6	62.1	0	0	0	113.6	Y523 E524 Y525 Y561 Y566	D521-Y523 PolarHBondContact O-N 2.95Å; D521-Y523 WeakPolarHBondContact OD1-CA 3.15Å; D521-Y523 WeakPolarHBondContact OD1-CB 3.4Å; D521-Y523 PolarHBondContact OD1-N 3.2Å; D521-E524 PolarHBondContact N-OE2 3.42Å; D521-E524 PolarHBondContact O-N 3.21Å; D521-E524 PolarHBondContact OD1-N 3.38Å; D521-E524 WeakPolarHBondContact OD2-CG 3.34Å; D521-Y525 WeakPolarHBondContact O-CB 3.48Å; D521-Y525 VanDerWaalsContact O-CD2 3.28Å; D521-Y525 WeakPolarHBondContact O-CD2 3.22Å; D521-Y525 PolarHBondContact O-N 2.71Å; D521-Y561 WeakPolarHBondContact OD2-CE1 3.39Å; D521-Y561 PolarHBondContact OD2-OH 3.47Å; D521-Y566 PolarHBondContact OD2-OH 3.48Å
522	G	88.1	Confident	91.4	Very high	24 Å²	24	34.2 Å²	34.2	25%	0.247	18%	0.181	C	C	.	.	H	α-helix	trans	-63.5	-33.6	-177.3	0	0	0	0	0	115	A526	G522-A526 WeakPolarHBondContact O-CB 3.31Å; G522-A526 PolarHBondContact O-N 3.25Å
523	Y	89.4	Confident	91.4	Very high	82 Å²	82	33.8 Å²	33.8	32%	0.322	18%	0.179	S	C	.	.	H	α-helix	trans	-72.8	-45.7	176.8	-66.5	-98.5	0	0	0	109.6	V400 D521 Y525 A526 Y527 Y561	V400-Y523 HydrophobicContact CG1-CD1 4.29Å; V400-Y523 HydrophobicContact CG1-CD2 3.85Å; V400-Y523 HydrophobicContact CG1-CE1 4.38Å; V400-Y523 HydrophobicContact CG1-CE2 3.94Å; V400-Y523 HydrophobicContact CG1-CG 4.02Å; V400-Y523 HydrophobicContact CG2-CD1 3.55Å; V400-Y523 HydrophobicContact CG2-CE1 3.59Å; V400-Y523 HydrophobicContact CG2-CG 4.06Å; D521-Y523 PolarHBondContact O-N 2.95Å; D521-Y523 WeakPolarHBondContact OD1-CA 3.15Å; D521-Y523 WeakPolarHBondContact OD1-CB 3.4Å; D521-Y523 PolarHBondContact OD1-N 3.2Å; Y523-Y525 VanDerWaalsContact C-N 3.34Å; Y523-Y525 PolarHBondContact O-N 2.79Å; Y523-A526 PolarHBondContact O-N 3.11Å; Y523-A526 VanDerWaalsContact O-N 3.08Å; Y523-Y527 WeakPolarHBondContact O-CD2 3.29Å; Y523-Y527 PolarHBondContact O-N 3.39Å; Y523-Y561 HydrophobicContact CD1-CD2 4.35Å; Y523-Y561 AromaticContact CD1-CE2 3.92Å; Y523-Y561 HydrophobicContact CD1-CE2 3.92Å; Y523-Y561 AromaticContact CD2-CE2 3.82Å; Y523-Y561 HydrophobicContact CD2-CE2 3.82Å; Y523-Y561 AromaticContact CD2-CZ 3.74Å; Y523-Y561 WeakPolarHBondContact CD2-OH 3.3Å; Y523-Y561 HydrophobicContact CE1-CE2 4.47Å; Y523-Y561 HydrophobicContact CE2-CE2 4.4Å; Y523-Y561 HydrophobicContact CG-CD2 4.27Å; Y523-Y561 AromaticContact CG-CE2 3.57Å; Y523-Y561 HydrophobicContact CG-CE2 3.57Å; Y523-Y561 AromaticContact CG-CZ 3.75Å
524	E	92.3	Very high	91.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.9	-42.7	175.6	-67.2	175.6	147.7	0	0	111.9	I520 D521 A526 Y527 L528 L558 Y561 V562 R572 I576	I520-E524 WeakPolarHBondContact CA-OE2 3.35Å; I520-E524 HydrophobicContact CG2-CB 3.66Å; D521-E524 PolarHBondContact N-OE2 3.42Å; D521-E524 PolarHBondContact O-N 3.21Å; D521-E524 PolarHBondContact OD1-N 3.38Å; D521-E524 WeakPolarHBondContact OD2-CG 3.34Å; E524-A526 PolarHBondContact O-N 2.88Å; E524-Y527 PolarHBondContact O-N 3.48Å; E524-L528 VanDerWaalsContact O-CB 3.31Å; E524-L528 WeakPolarHBondContact O-CB 3.28Å; E524-L528 VanDerWaalsContact O-CG 3.28Å; E524-L528 WeakPolarHBondContact O-CG 3.49Å; E524-L528 PolarHBondContact O-N 3.23Å; E524-L558 HydrophobicContact CB-CD1 4.39Å; E524-L558 HydrophobicContact CG-CD1 4.07Å; E524-Y561 HydrophobicContact CG-CD1 4.31Å; E524-Y561 HydrophobicContact CG-CE1 4.18Å; E524-V562 HydrophobicContact CG-CG2 4.45Å; E524-R572 IonicContact OE1-CZ 2.71Å; E524-R572 IonicContact OE1-NE 2.74Å; E524-R572 PolarHBondContact OE1-NE 2.83Å; E524-R572 IonicContact OE1-NH2 3.8Å; E524-R572 PolarHBondContact OE1-NH2 2.81Å; E524-R572 IonicContact OE2-CZ 2.7Å; E524-R572 IonicContact OE2-NE 3.2Å; E524-R572 IonicContact OE2-NH2 3.81Å; E524-R572 PolarHBondContact OE2-NH2 2.69Å; E524-I576 HydrophobicContact CB-CD1 4.5Å; E524-I576 VanDerWaalsContact CD-CD1 3.43Å; E524-I576 HydrophobicContact CG-CD1 4.17Å; E524-I576 WeakPolarHBondContact OE1-CD1 3.39Å
525	Y	92.9	Very high	91.4	Very high	14 Å²	14	28.8 Å²	28.8	6%	0.055	15%	0.151	C	C	.	.	H	α-helix	trans	-60.8	-41	171.3	-91.4	-68.5	0	0	0	112.6	A465 Q466 M515 I520 D521 Y523 K529	A465-Y525 HydrophobicContact CB-CE1 4.18Å; Q466-Y525 HydrophobicContact CB-CD1 3.87Å; Q466-Y525 HydrophobicContact CB-CD2 4.19Å; Q466-Y525 HydrophobicContact CB-CE1 3.8Å; Q466-Y525 HydrophobicContact CB-CE2 4.13Å; Q466-Y525 HydrophobicContact CB-CG 4.08Å; Q466-Y525 HydrophobicContact CG-CD1 4.25Å; Q466-Y525 HydrophobicContact CG-CD2 3.79Å; Q466-Y525 HydrophobicContact CG-CE1 4.46Å; Q466-Y525 HydrophobicContact CG-CE2 4.04Å; Q466-Y525 HydrophobicContact CG-CG 3.92Å; M515-Y525 HydrophobicContact CE-CD1 4.14Å; M515-Y525 HydrophobicContact CE-CE1 3.42Å; M515-Y525 VanDerWaalsContact CE-CE1 3.42Å; I520-Y525 HydrophobicContact CB-CD2 4.21Å; I520-Y525 HydrophobicContact CB-CE2 3.83Å; I520-Y525 HydrophobicContact CG2-CD1 4.5Å; I520-Y525 HydrophobicContact CG2-CD2 3.62Å; I520-Y525 HydrophobicContact CG2-CE2 3.73Å; I520-Y525 HydrophobicContact CG2-CG 4.02Å; I520-Y525 WeakPolarHBondContact O-CE2 3.28Å; D521-Y525 WeakPolarHBondContact O-CB 3.48Å; D521-Y525 VanDerWaalsContact O-CD2 3.28Å; D521-Y525 WeakPolarHBondContact O-CD2 3.22Å; D521-Y525 PolarHBondContact O-N 2.71Å; Y523-Y525 VanDerWaalsContact C-N 3.34Å; Y523-Y525 PolarHBondContact O-N 2.79Å; Y525-K529 VanDerWaalsContact O-CG 3.29Å; Y525-K529 WeakPolarHBondContact O-CG 3.44Å; Y525-K529 PolarHBondContact O-N 3.02Å
526	A	92.1	Very high	91.2	Very high	3 Å²	3	30.3 Å²	30.3	3%	0.025	16%	0.161	C	C	.	.	H	α-helix	trans	-67.9	-43.1	179.6	0	0	0	0	0	111.9	L395 W433 G522 Y523 E524 K529 A530	L395-A526 HydrophobicContact CD1-CB 3.86Å; W433-A526 HydrophobicContact CZ2-CB 4.33Å; G522-A526 WeakPolarHBondContact O-CB 3.31Å; G522-A526 PolarHBondContact O-N 3.25Å; Y523-A526 PolarHBondContact O-N 3.11Å; Y523-A526 VanDerWaalsContact O-N 3.08Å; E524-A526 PolarHBondContact O-N 2.88Å; A526-K529 PolarHBondContact O-N 3.1Å; A526-A530 PolarHBondContact O-N 2.92Å
527	Y	93.3	Very high	90.8	Very high	24 Å²	24	32.8 Å²	32.8	9%	0.094	17%	0.166	C	C	.	.	H	α-helix	trans	-68.5	-38.9	174.2	-70.6	-62.3	0	0	0	112.7	L395 Y523 E524 K529 A530 I531 E557 L558	L395-Y527 HydrophobicContact CB-CE1 4.49Å; L395-Y527 HydrophobicContact CD1-CD1 3.79Å; L395-Y527 HydrophobicContact CD1-CE1 3.96Å; L395-Y527 HydrophobicContact CD1-CG 4.34Å; L395-Y527 HydrophobicContact CG-CE1 4.36Å; Y523-Y527 WeakPolarHBondContact O-CD2 3.29Å; Y523-Y527 PolarHBondContact O-N 3.39Å; E524-Y527 PolarHBondContact O-N 3.48Å; Y527-K529 VanDerWaalsContact C-N 3.33Å; Y527-K529 PolarHBondContact O-N 3.49Å; Y527-A530 PolarHBondContact O-N 3.36Å; Y527-A530 VanDerWaalsContact O-N 3.1Å; Y527-I531 VanDerWaalsContact O-CG1 3.25Å; Y527-I531 WeakPolarHBondContact O-CG1 3.29Å; Y527-I531 PolarHBondContact O-N 2.87Å; Y527-E557 HydrophobicContact CD1-CB 4.26Å; Y527-E557 HydrophobicContact CE1-CB 3.49Å; Y527-E557 VanDerWaalsContact CE1-CB 3.49Å; Y527-L558 HydrophobicContact CD2-CB 4.21Å; Y527-L558 HydrophobicContact CD2-CD1 4.07Å; Y527-L558 HydrophobicContact CG-CB 3.99Å; Y527-L558 HydrophobicContact CG-CD1 4.38Å
528	L	94.1	Very high	90.2	Very high	1 Å²	1	26 Å²	26	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-57.3	-46.7	172.4	-82.1	174.5	0	0	0	111.4	L462 M515 I520 E524 A530 I531 V532 I576 L580	L462-L528 HydrophobicContact CD1-CB 4.3Å; L462-L528 HydrophobicContact CD2-CB 4.44Å; L462-L528 HydrophobicContact CD2-CD1 4.37Å; M515-L528 HydrophobicContact CE-CD1 3.84Å; I520-L528 HydrophobicContact CG2-CD1 4.41Å; E524-L528 VanDerWaalsContact O-CB 3.31Å; E524-L528 WeakPolarHBondContact O-CB 3.28Å; E524-L528 VanDerWaalsContact O-CG 3.28Å; E524-L528 WeakPolarHBondContact O-CG 3.49Å; E524-L528 PolarHBondContact O-N 3.23Å; L528-A530 VanDerWaalsContact C-N 3.3Å; L528-A530 PolarHBondContact O-N 3.47Å; L528-I531 PolarHBondContact O-N 3.36Å; L528-V532 WeakPolarHBondContact O-CG2 3.1Å; L528-V532 PolarHBondContact O-N 3.27Å; L528-I576 HydrophobicContact CD1-CG2 4.04Å; L528-I576 HydrophobicContact CD2-CG2 3.75Å; L528-I576 HydrophobicContact CG-CG2 3.99Å; L528-L580 HydrophobicContact CD2-CD1 4.29Å; L528-L580 HydrophobicContact CD2-CD2 3.84Å; L528-L580 HydrophobicContact CD2-CG 4.06Å
529	K	93.6	Very high	89.5	Confident	3 Å²	3	31 Å²	31	1%	0.013	17%	0.171	C	C	.	.	H	α-helix	trans	-62	-36.9	174.5	-71.1	173.6	-169.6	175	0	111.8	F402 W433 L459 L462 Y525 A526 Y527 V532 L533	F402-K529 VanDerWaalsContact CD1-NZ 3.3Å; F402-K529 VanDerWaalsContact CE2-NZ 3.28Å; W433-K529 HydrophobicContact CE3-CB 4.35Å; W433-K529 HydrophobicContact CE3-CD 4.45Å; W433-K529 HydrophobicContact CH2-CB 3.31Å; W433-K529 HydrophobicContact CH2-CD 4.42Å; W433-K529 HydrophobicContact CZ2-CB 3.95Å; W433-K529 HydrophobicContact CZ2-CD 4.42Å; W433-K529 HydrophobicContact CZ3-CB 3.54Å; W433-K529 HydrophobicContact CZ3-CD 4.42Å; L459-K529 HydrophobicContact CD2-CB 3.8Å; L459-K529 HydrophobicContact CD2-CG 4.11Å; L459-K529 WeakPolarHBondContact CD2-O 3.35Å; L462-K529 HydrophobicContact CB-CG 3.95Å; L462-K529 HydrophobicContact CD1-CG 3.91Å; Y525-K529 VanDerWaalsContact O-CG 3.29Å; Y525-K529 WeakPolarHBondContact O-CG 3.44Å; Y525-K529 PolarHBondContact O-N 3.02Å; A526-K529 PolarHBondContact O-N 3.1Å; Y527-K529 VanDerWaalsContact C-N 3.33Å; Y527-K529 PolarHBondContact O-N 3.49Å; K529-V532 PolarHBondContact O-N 3.47Å; K529-L533 WeakPolarHBondContact O-CB 3.23Å; K529-L533 PolarHBondContact O-N 2.93Å
530	A	93.4	Very high	88.6	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.8	-39.4	176.1	0	0	0	0	0	112.7	L394 L395 W433 A526 Y527 L528 V532 L533 F534 A554	L394-A530 HydrophobicContact CD2-CB 4.4Å; L395-A530 HydrophobicContact CD1-CB 4.23Å; W433-A530 HydrophobicContact CH2-CB 4.39Å; A526-A530 PolarHBondContact O-N 2.92Å; Y527-A530 PolarHBondContact O-N 3.36Å; Y527-A530 VanDerWaalsContact O-N 3.1Å; L528-A530 VanDerWaalsContact C-N 3.3Å; L528-A530 PolarHBondContact O-N 3.47Å; A530-V532 VanDerWaalsContact C-N 3.32Å; A530-V532 PolarHBondContact O-N 2.89Å; A530-L533 PolarHBondContact O-N 2.94Å; A530-F534 HydrophobicContact CB-CD2 4.44Å; A530-F534 WeakPolarHBondContact O-CD2 3.37Å; A530-F534 PolarHBondContact O-N 2.99Å; A530-A554 HydrophobicContact CB-CB 4.12Å
531	I	93.8	Very high	88	Confident	5 Å²	5	28.5 Å²	28.5	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-65.5	-36.8	176.2	-66.7	163.2	0	0	0	111	Y527 L528 Q551 A554 Q555 L558 L577 L580	Y527-I531 VanDerWaalsContact O-CG1 3.25Å; Y527-I531 WeakPolarHBondContact O-CG1 3.29Å; Y527-I531 PolarHBondContact O-N 2.87Å; L528-I531 PolarHBondContact O-N 3.36Å; I531-Q551 HydrophobicContact CG2-CG 4.25Å; I531-Q551 PolarHBondContact O-NE2 2.84Å; I531-A554 HydrophobicContact CG1-CB 3.74Å; I531-Q555 HydrophobicContact CD1-CG 3.82Å; I531-Q555 HydrophobicContact CG1-CG 3.89Å; I531-Q555 HydrophobicContact CG2-CG 4.39Å; I531-L558 HydrophobicContact CD1-CD2 3.71Å; I531-L577 HydrophobicContact CD1-CD2 4.08Å; I531-L580 HydrophobicContact CG2-CD1 3.76Å
532	V	93.6	Very high	87.2	Confident	7 Å²	7	31.1 Å²	31.1	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-69	-47.4	172.2	164.3	0	0	0	0	111.6	C455 E458 L459 L462 L528 K529 A530 S535 L580 L583	C455-V532 HydrophobicContact CB-CG1 3.96Å; E458-V532 HydrophobicContact CB-CG1 3.44Å; E458-V532 VanDerWaalsContact CB-CG1 3.44Å; E458-V532 HydrophobicContact CG-CG1 4.46Å; L459-V532 HydrophobicContact CD2-CB 4.39Å; L459-V532 HydrophobicContact CD2-CG1 3.97Å; L459-V532 HydrophobicContact CG-CG1 4.07Å; L462-V532 HydrophobicContact CD1-CB 4.35Å; L462-V532 HydrophobicContact CD1-CG2 3.84Å; L528-V532 WeakPolarHBondContact O-CG2 3.1Å; L528-V532 PolarHBondContact O-N 3.27Å; K529-V532 PolarHBondContact O-N 3.47Å; A530-V532 VanDerWaalsContact C-N 3.32Å; A530-V532 PolarHBondContact O-N 2.89Å; V532-S535 VanDerWaalsContact O-CB 3.24Å; V532-S535 WeakPolarHBondContact O-CB 3.25Å; V532-S535 PolarHBondContact O-N 3.48Å; V532-L580 HydrophobicContact CG2-CD2 3.57Å; V532-L583 HydrophobicContact CG2-CD2 3.83Å
533	L	92.5	Very high	86.7	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-60.1	-48.7	179.9	177.3	63.1	0	0	0	111.2	W433 A434 I437 F440 L451 V452 L459 K529 A530 S535	W433-L533 HydrophobicContact CZ3-CD2 4.34Å; A434-L533 HydrophobicContact CB-CD1 4.09Å; A434-L533 HydrophobicContact CB-CD2 3.94Å; I437-L533 HydrophobicContact CD1-CD2 3.86Å; F440-L533 HydrophobicContact CD2-CD1 4.01Å; F440-L533 HydrophobicContact CD2-CD2 4.03Å; F440-L533 HydrophobicContact CD2-CG 4.25Å; F440-L533 HydrophobicContact CE2-CD1 3.89Å; F440-L533 HydrophobicContact CG-CD2 4.47Å; L451-L533 WeakPolarHBondContact CD1-O 3.38Å; L451-L533 HydrophobicContact CD2-CD1 4.4Å; L451-L533 VanDerWaalsContact CD2-O 3.29Å; L451-L533 WeakPolarHBondContact CD2-O 3.38Å; L451-L533 HydrophobicContact CG-CD1 4.44Å; L451-L533 WeakPolarHBondContact CG-O 3.22Å; V452-L533 HydrophobicContact CG2-CD1 4.05Å; L459-L533 HydrophobicContact CD1-CD1 4.17Å; L459-L533 HydrophobicContact CD2-CB 4.44Å; K529-L533 WeakPolarHBondContact O-CB 3.23Å; K529-L533 PolarHBondContact O-N 2.93Å; A530-L533 PolarHBondContact O-N 2.94Å; L533-S535 PolarHBondContact O-N 2.99Å; L533-S535 VanDerWaalsContact O-N 3.1Å
534	F	92	Very high	86.5	Confident	0 Å²	0	31 Å²	31	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	44.1	179.9	-59.8	-62.1	0	0	0	112.5	L394 I437 A439 F440 L443 L451 A530 P536 I547 F550 Q551	L394-F534 HydrophobicContact CD1-CE2 4.39Å; L394-F534 HydrophobicContact CD2-CD2 4.21Å; L394-F534 HydrophobicContact CD2-CE2 4.02Å; L394-F534 HydrophobicContact CG-CE2 4.46Å; I437-F534 HydrophobicContact CG2-CE2 4.42Å; I437-F534 HydrophobicContact CG2-CZ 4.13Å; A439-F534 HydrophobicContact CB-CZ 4.17Å; F440-F534 HydrophobicContact CB-CE1 4.19Å; F440-F534 HydrophobicContact CB-CZ 4.06Å; F440-F534 HydrophobicContact CD2-CE1 4.49Å; L443-F534 HydrophobicContact CD1-CD1 4.19Å; L443-F534 HydrophobicContact CD1-CE1 3.93Å; L451-F534 HydrophobicContact CD2-CD1 4.23Å; A530-F534 HydrophobicContact CB-CD2 4.44Å; A530-F534 WeakPolarHBondContact O-CD2 3.37Å; A530-F534 PolarHBondContact O-N 2.99Å; F534-P536 WeakPolarHBondContact O-CD 3.43Å; F534-I547 VanDerWaalsContact C-CG2 3.44Å; F534-I547 HydrophobicContact CB-CG2 4.11Å; F534-I547 WeakPolarHBondContact O-CG2 3.42Å; F534-F550 HydrophobicContact CB-CB 4.16Å; F534-F550 HydrophobicContact CD1-CB 3.9Å; F534-F550 HydrophobicContact CD1-CD2 4.05Å; F534-F550 HydrophobicContact CD1-CG 4.49Å; F534-F550 HydrophobicContact CD2-CB 3.95Å; F534-F550 HydrophobicContact CE1-CB 4.29Å; F534-F550 AromaticContact CE1-CD2 3.89Å; F534-F550 HydrophobicContact CE1-CD2 3.89Å; F534-F550 HydrophobicContact CE2-CB 4.34Å; F534-F550 HydrophobicContact CG-CB 3.73Å; F534-F550 HydrophobicContact CZ-CB 4.5Å; F534-F550 HydrophobicContact CZ-CD2 4.42Å; F534-Q551 HydrophobicContact CB-CB 4.23Å; F534-Q551 HydrophobicContact CB-CG 4.45Å; F534-Q551 VanDerWaalsContact O-CB 3.25Å; F534-Q551 WeakPolarHBondContact O-CB 3.44Å; F534-Q551 VanDerWaalsContact O-CD 3.25Å; F534-Q551 WeakPolarHBondContact O-CG 3.45Å; F534-Q551 PolarHBondContact O-NE2 3.43Å
535	S	89.6	Confident	86.2	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.014	22%	0.219	C	C	.	.			trans	-80	117.2	176.4	174	0	0	0	0	111.3	V532 L533 D537 H538 L541 R584	V532-S535 VanDerWaalsContact O-CB 3.24Å; V532-S535 WeakPolarHBondContact O-CB 3.25Å; V532-S535 PolarHBondContact O-N 3.48Å; L533-S535 PolarHBondContact O-N 2.99Å; L533-S535 VanDerWaalsContact O-N 3.1Å; S535-D537 VanDerWaalsContact C-N 3.29Å; S535-D537 PolarHBondContact O-N 3.39Å; S535-H538 WeakPolarHBondContact CB-NE2 3.47Å; S535-H538 PolarHBondContact O-CD2 2.92Å; S535-H538 PolarHBondContact OG-CD2 3.05Å; S535-H538 VanDerWaalsContact OG-CD2 3.28Å; S535-H538 PolarHBondContact OG-NE2 3.08Å; S535-L541 WeakPolarHBondContact O-CD1 3.41Å; S535-R584 PolarHBondContact OG-NH2 2.97Å
536	P	86.2	Confident	85.8	Confident	32 Å²	32	34.3 Å²	34.3	21%	0.208	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-6.8	177.9	34.4	-36.3	0	0	0	113.4	F534 H538 I547	F534-P536 WeakPolarHBondContact O-CD 3.43Å; P536-H538 PolarHBondContact O-N 2.99Å; P536-I547 HydrophobicContact CB-CG2 4.44Å
537	D	81.9	Confident	85.6	Confident	107 Å²	107	34.1 Å²	34.1	57%	0.572	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-11.6	-172.1	-70.2	-28.9	0	0	0	114.3	S535 R584	S535-D537 VanDerWaalsContact C-N 3.29Å; S535-D537 PolarHBondContact O-N 3.39Å; D537-R584 IonicContact OD2-CZ 3.47Å; D537-R584 IonicContact OD2-NH1 2.74Å; D537-R584 PolarHBondContact OD2-NH1 2.74Å; D537-R584 IonicContact OD2-NH2 3.63Å; D537-R584 PolarHBondContact OD2-NH2 3.31Å
538	H	79.2	Confident	85.5	Confident	38 Å²	38	37.4 Å²	37.4	18%	0.176	24%	0.235	C	C	.	.	S	Bend	trans	-87.1	135.9	-169.3	-54.4	-77.4	0	0	0	113	A454 S535 P536 L541	A454-H538 HydrophobicContact CB-CB 3.65Å; A454-H538 PolarHBondContact O-CE1 3.5Å; A454-H538 VanDerWaalsContact O-CE1 3.27Å; S535-H538 WeakPolarHBondContact CB-NE2 3.47Å; S535-H538 PolarHBondContact O-CD2 2.92Å; S535-H538 PolarHBondContact OG-CD2 3.05Å; S535-H538 VanDerWaalsContact OG-CD2 3.28Å; S535-H538 PolarHBondContact OG-NE2 3.08Å; P536-H538 PolarHBondContact O-N 2.99Å; H538-L541 HydrophobicContact CB-CD1 3.9Å; H538-L541 HydrophobicContact CB-CG 4.23Å; H538-L541 WeakPolarHBondContact O-CG 3.38Å
539	P	72.9	Confident	85.3	Confident	133 Å²	133	41.2 Å²	41.2	86%	0.864	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	139.9	-177.8	29	-35.1	0	0	0	111.9
540	G	70.1	Confident	85.2	Confident	73 Å²	73	41.5 Å²	41.5	75%	0.753	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.7	-3.1	176.4	0	0	0	0	0	115.6
541	L	78.3	Confident	85.2	Confident	20 Å²	20	43 Å²	43	11%	0.105	26%	0.26	C	S	.	.			trans	-64.8	134	174.9	-67.6	176.5	0	0	0	112.3	L451 S535 H538 T544 I547	L451-L541 HydrophobicContact CB-CD2 4.06Å; L451-L541 HydrophobicContact CD1-CD1 3.83Å; L451-L541 HydrophobicContact CD1-CD2 3.89Å; S535-L541 WeakPolarHBondContact O-CD1 3.41Å; H538-L541 HydrophobicContact CB-CD1 3.9Å; H538-L541 HydrophobicContact CB-CG 4.23Å; H538-L541 WeakPolarHBondContact O-CG 3.38Å; L541-T544 HydrophobicContact CB-CG2 3.98Å; L541-I547 HydrophobicContact CB-CD1 4.21Å; L541-I547 HydrophobicContact CD1-CD1 3.95Å; L541-I547 HydrophobicContact CD2-CD1 4.38Å; L541-I547 HydrophobicContact CG-CD1 4.42Å
542	T	72.2	Confident	85.1	Confident	85 Å²	85	48.1 Å²	48.1	52%	0.521	28%	0.284	S	S	.	.	S	Bend	trans	-85.7	161.2	164.5	50.4	0	0	0	0	110.2	T544	T542-T544 VanDerWaalsContact C-N 3.27Å; T542-T544 PolarHBondContact O-N 3.21Å; T542-T544 VanDerWaalsContact O-N 3.13Å
543	S	77.3	Confident	85	Confident	38 Å²	38	49.8 Å²	49.8	27%	0.266	29%	0.291	S	S	.	.	S	Bend	trans	54.2	33.6	175.7	-57.5	0	0	0	0	115.7	S545 Q546 I547	S543-S545 VanDerWaalsContact C-N 3.28Å; S543-S545 PolarHBondContact O-N 3.42Å; S543-S545 VanDerWaalsContact O-N 3.12Å; S543-Q546 WeakPolarHBondContact O-CA 3.41Å; S543-Q546 WeakPolarHBondContact O-CB 3.32Å; S543-Q546 PolarHBondContact O-N 3.44Å; S543-I547 PolarHBondContact O-N 3.06Å
544	T	85	Confident	85	Confident	66 Å²	66	49.8 Å²	49.8	41%	0.405	29%	0.291	S	S	.	.	H	α-helix	trans	-50.4	-39.9	-176.4	50.7	0	0	0	0	114.5	L541 T542 Q546 I547 E548	L541-T544 HydrophobicContact CB-CG2 3.98Å; T542-T544 VanDerWaalsContact C-N 3.27Å; T542-T544 PolarHBondContact O-N 3.21Å; T542-T544 VanDerWaalsContact O-N 3.13Å; T544-Q546 PolarHBondContact O-N 2.87Å; T544-I547 WeakPolarHBondContact O-CB 3.39Å; T544-I547 PolarHBondContact O-N 3.08Å; T544-I547 VanDerWaalsContact O-N 3.14Å; T544-E548 WeakPolarHBondContact O-CB 3.5Å; T544-E548 PolarHBondContact O-N 3.05Å
545	S	85.4	Confident	85	Confident	66 Å²	66	53.6 Å²	53.6	46%	0.462	31%	0.308	S	S	.	.	H	α-helix	trans	-68.9	-14.5	177.5	-171.4	0	0	0	0	114.4	S543 K549	S543-S545 VanDerWaalsContact C-N 3.28Å; S543-S545 PolarHBondContact O-N 3.42Å; S543-S545 VanDerWaalsContact O-N 3.12Å; S545-K549 WeakPolarHBondContact O-CD 3.43Å; S545-K549 VanDerWaalsContact O-CG 3.28Å; S545-K549 WeakPolarHBondContact O-CG 3.39Å
546	Q	85.4	Confident	85.1	Confident	17 Å²	17	59.9 Å²	59.9	8%	0.079	34%	0.339	C	S	.	.	H	α-helix	trans	-86.3	-38.6	169.1	-174.5	179.8	-27.8	0	0	111.1	L443 S543 T544 K549 F550	L443-Q546 HydrophobicContact CD2-CB 4.23Å; L443-Q546 HydrophobicContact CD2-CG 3.89Å; S543-Q546 WeakPolarHBondContact O-CA 3.41Å; S543-Q546 WeakPolarHBondContact O-CB 3.32Å; S543-Q546 PolarHBondContact O-N 3.44Å; T544-Q546 PolarHBondContact O-N 2.87Å; Q546-K549 PolarHBondContact O-N 3.33Å; Q546-F550 HydrophobicContact CG-CD2 4.4Å; Q546-F550 HydrophobicContact CG-CE1 4.46Å; Q546-F550 HydrophobicContact CG-CE2 3.83Å; Q546-F550 HydrophobicContact CG-CZ 3.87Å; Q546-F550 WeakPolarHBondContact O-CG 3.44Å; Q546-F550 PolarHBondContact O-N 2.83Å; Q546-F550 VanDerWaalsContact O-N 3.07Å
547	I	88.6	Confident	85.4	Confident	0 Å²	0	60 Å²	60	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-61.2	-47.9	173.9	-58.5	174.6	0	0	0	109.9	L443 L451 F534 P536 L541 S543 T544 K549 F550 Q551	L443-I547 HydrophobicContact CD1-CG1 4.16Å; L443-I547 HydrophobicContact CD2-CG1 3.96Å; L451-I547 HydrophobicContact CD1-CD1 4.31Å; L451-I547 HydrophobicContact CD1-CG2 4.38Å; F534-I547 VanDerWaalsContact C-CG2 3.44Å; F534-I547 HydrophobicContact CB-CG2 4.11Å; F534-I547 WeakPolarHBondContact O-CG2 3.42Å; P536-I547 HydrophobicContact CB-CG2 4.44Å; L541-I547 HydrophobicContact CB-CD1 4.21Å; L541-I547 HydrophobicContact CD1-CD1 3.95Å; L541-I547 HydrophobicContact CD2-CD1 4.38Å; L541-I547 HydrophobicContact CG-CD1 4.42Å; S543-I547 PolarHBondContact O-N 3.06Å; T544-I547 WeakPolarHBondContact O-CB 3.39Å; T544-I547 PolarHBondContact O-N 3.08Å; T544-I547 VanDerWaalsContact O-N 3.14Å; I547-K549 PolarHBondContact O-N 3.15Å; I547-F550 PolarHBondContact O-N 2.85Å; I547-F550 VanDerWaalsContact O-N 3.08Å; I547-Q551 PolarHBondContact O-N 3.04Å
548	E	90.8	Very high	85.9	Confident	93 Å²	93	55 Å²	55	44%	0.435	31%	0.31	S	S	.	.	H	α-helix	trans	-51.1	-49.1	173.5	-176	177.7	-142.9	0	0	111.9	T544 F550 Q551 E552	T544-E548 WeakPolarHBondContact O-CB 3.5Å; T544-E548 PolarHBondContact O-N 3.05Å; E548-F550 PolarHBondContact O-N 3.02Å; E548-Q551 WeakPolarHBondContact O-CA 3.18Å; E548-Q551 WeakPolarHBondContact O-CB 3.29Å; E548-Q551 PolarHBondContact O-N 2.97Å; E548-Q551 VanDerWaalsContact O-N 3.12Å; E548-E552 WeakPolarHBondContact O-CG 3.37Å; E548-E552 PolarHBondContact O-N 3.33Å
549	K	89.7	Confident	86.6	Confident	81 Å²	81	57.9 Å²	57.9	35%	0.352	32%	0.324	S	S	.	.	H	α-helix	trans	-63.1	-37.7	176.3	-72.9	171.8	-175.7	-176.7	0	113.8	S545 Q546 I547 Q551 K553	S545-K549 WeakPolarHBondContact O-CD 3.43Å; S545-K549 VanDerWaalsContact O-CG 3.28Å; S545-K549 WeakPolarHBondContact O-CG 3.39Å; Q546-K549 PolarHBondContact O-N 3.33Å; I547-K549 PolarHBondContact O-N 3.15Å; K549-Q551 VanDerWaalsContact C-N 3.31Å; K549-K553 VanDerWaalsContact O-CB 3.3Å; K549-K553 WeakPolarHBondContact O-CB 3.41Å; K549-K553 PolarHBondContact O-N 3.04Å
550	F	90.6	Very high	87.4	Confident	9 Å²	9	56.3 Å²	56.3	4%	0.039	31%	0.308	C	S	.	.	H	α-helix	trans	-69.6	-32.4	174.9	-64.4	-23.6	0	0	0	111.3	V390 L394 A439 L443 F534 Q546 I547 E548 A554	V390-F550 HydrophobicContact CG2-CE1 3.86Å; V390-F550 HydrophobicContact CG2-CZ 4.07Å; L394-F550 HydrophobicContact CD1-CB 4.49Å; L394-F550 HydrophobicContact CD1-CD1 4.44Å; A439-F550 HydrophobicContact CB-CD1 4.37Å; A439-F550 HydrophobicContact CB-CD2 4.1Å; A439-F550 HydrophobicContact CB-CE1 4.23Å; A439-F550 HydrophobicContact CB-CE2 3.93Å; A439-F550 HydrophobicContact CB-CG 4.32Å; A439-F550 HydrophobicContact CB-CZ 4Å; A439-F550 WeakPolarHBondContact O-CE2 3.22Å; L443-F550 HydrophobicContact CD1-CD2 4.37Å; L443-F550 HydrophobicContact CD1-CE2 4.44Å; L443-F550 HydrophobicContact CD2-CD2 4.4Å; L443-F550 HydrophobicContact CD2-CE2 4.02Å; L443-F550 HydrophobicContact CG-CD2 4.45Å; L443-F550 HydrophobicContact CG-CE2 4.04Å; F534-F550 HydrophobicContact CB-CB 4.16Å; F534-F550 HydrophobicContact CD1-CB 3.9Å; F534-F550 HydrophobicContact CD1-CD2 4.05Å; F534-F550 HydrophobicContact CD1-CG 4.49Å; F534-F550 HydrophobicContact CD2-CB 3.95Å; F534-F550 HydrophobicContact CE1-CB 4.29Å; F534-F550 AromaticContact CE1-CD2 3.89Å; F534-F550 HydrophobicContact CE1-CD2 3.89Å; F534-F550 HydrophobicContact CE2-CB 4.34Å; F534-F550 HydrophobicContact CG-CB 3.73Å; F534-F550 HydrophobicContact CZ-CB 4.5Å; F534-F550 HydrophobicContact CZ-CD2 4.42Å; Q546-F550 HydrophobicContact CG-CD2 4.4Å; Q546-F550 HydrophobicContact CG-CE1 4.46Å; Q546-F550 HydrophobicContact CG-CE2 3.83Å; Q546-F550 HydrophobicContact CG-CZ 3.87Å; Q546-F550 WeakPolarHBondContact O-CG 3.44Å; Q546-F550 PolarHBondContact O-N 2.83Å; Q546-F550 VanDerWaalsContact O-N 3.07Å; I547-F550 PolarHBondContact O-N 2.85Å; I547-F550 VanDerWaalsContact O-N 3.08Å; E548-F550 PolarHBondContact O-N 3.02Å; F550-A554 WeakPolarHBondContact O-CB 3.25Å; F550-A554 PolarHBondContact O-N 3.39Å
551	Q	93.6	Very high	88.5	Confident	30 Å²	30	54.9 Å²	54.9	14%	0.14	28%	0.28	C	S	.	.	H	α-helix	trans	-67.9	-47.6	171.8	-145.4	-172.2	35.4	0	0	112.4	I531 F534 I547 E548 K549 K553 A554 Q555	I531-Q551 HydrophobicContact CG2-CG 4.25Å; I531-Q551 PolarHBondContact O-NE2 2.84Å; F534-Q551 HydrophobicContact CB-CB 4.23Å; F534-Q551 HydrophobicContact CB-CG 4.45Å; F534-Q551 VanDerWaalsContact O-CB 3.25Å; F534-Q551 WeakPolarHBondContact O-CB 3.44Å; F534-Q551 VanDerWaalsContact O-CD 3.25Å; F534-Q551 WeakPolarHBondContact O-CG 3.45Å; F534-Q551 PolarHBondContact O-NE2 3.43Å; I547-Q551 PolarHBondContact O-N 3.04Å; E548-Q551 WeakPolarHBondContact O-CA 3.18Å; E548-Q551 WeakPolarHBondContact O-CB 3.29Å; E548-Q551 PolarHBondContact O-N 2.97Å; E548-Q551 VanDerWaalsContact O-N 3.12Å; K549-Q551 VanDerWaalsContact C-N 3.31Å; Q551-K553 VanDerWaalsContact C-N 3.3Å; Q551-K553 PolarHBondContact O-N 3.02Å; Q551-A554 PolarHBondContact O-N 3.35Å; Q551-Q555 WeakPolarHBondContact O-CG 3.19Å; Q551-Q555 PolarHBondContact O-N 3.45Å
552	E	92.1	Very high	89.1	Confident	113 Å²	113	54.2 Å²	54.2	53%	0.528	28%	0.277	S	S	.	.	H	α-helix	trans	-55.8	-46	174.1	-73	-174.7	138.7	0	0	110.7	E548 Q555 M556	E548-E552 WeakPolarHBondContact O-CG 3.37Å; E548-E552 PolarHBondContact O-N 3.33Å; E552-Q555 PolarHBondContact O-N 3.48Å; E552-M556 WeakPolarHBondContact O-CB 3.46Å; E552-M556 WeakPolarHBondContact O-CG 3.42Å; E552-M556 PolarHBondContact O-N 3.45Å
553	K	91	Very high	89.9	Confident	43 Å²	43	56.6 Å²	56.6	19%	0.187	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-45	176.8	-173.5	174.2	175.4	-176	0	112	V390 G392 L394 K549 Q551 Q555 M556 E557	V390-K553 PolarHBondContact O-NZ 3.23Å; G392-K553 WeakPolarHBondContact O-CE 3.27Å; G392-K553 PolarHBondContact O-NZ 3.25Å; L394-K553 HydrophobicContact CB-CD 4.26Å; L394-K553 HydrophobicContact CB-CG 4.32Å; L394-K553 HydrophobicContact CD1-CD 4.35Å; K549-K553 VanDerWaalsContact O-CB 3.3Å; K549-K553 WeakPolarHBondContact O-CB 3.41Å; K549-K553 PolarHBondContact O-N 3.04Å; Q551-K553 VanDerWaalsContact C-N 3.3Å; Q551-K553 PolarHBondContact O-N 3.02Å; K553-Q555 VanDerWaalsContact C-N 3.34Å; K553-Q555 PolarHBondContact O-N 3.37Å; K553-M556 PolarHBondContact O-N 2.96Å; K553-E557 WeakPolarHBondContact CE-OE1 3.31Å; K553-E557 WeakPolarHBondContact CG-OE1 3.3Å; K553-E557 WeakPolarHBondContact O-CG 3.38Å; K553-E557 PolarHBondContact O-N 3.03Å
554	A	93.1	Very high	90.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.2	-40.3	175.8	0	0	0	0	0	112.6	L394 A530 I531 F550 Q551 L558	L394-A554 HydrophobicContact CD2-CB 3.61Å; A530-A554 HydrophobicContact CB-CB 4.12Å; I531-A554 HydrophobicContact CG1-CB 3.74Å; F550-A554 WeakPolarHBondContact O-CB 3.25Å; F550-A554 PolarHBondContact O-N 3.39Å; Q551-A554 PolarHBondContact O-N 3.35Å; A554-L558 WeakPolarHBondContact O-CB 3.26Å; A554-L558 PolarHBondContact O-N 3.31Å
555	Q	92.7	Very high	90.8	Very high	79 Å²	79	62.7 Å²	62.7	37%	0.369	30%	0.304	S	S	.	.	H	α-helix	trans	-68.2	-39.5	176.5	-68.9	176	26.4	0	0	112.1	I531 Q551 E552 K553 Q559	I531-Q555 HydrophobicContact CD1-CG 3.82Å; I531-Q555 HydrophobicContact CG1-CG 3.89Å; I531-Q555 HydrophobicContact CG2-CG 4.39Å; Q551-Q555 WeakPolarHBondContact O-CG 3.19Å; Q551-Q555 PolarHBondContact O-N 3.45Å; E552-Q555 PolarHBondContact O-N 3.48Å; K553-Q555 VanDerWaalsContact C-N 3.34Å; K553-Q555 PolarHBondContact O-N 3.37Å; Q555-Q559 WeakPolarHBondContact O-CB 3.12Å; Q555-Q559 PolarHBondContact O-N 3.1Å
556	M	92.3	Very high	90.9	Very high	134 Å²	134	62.8 Å²	62.8	66%	0.66	30%	0.295	S	S	*	.	H	α-helix	trans	-66.4	-43.6	176.1	-76.9	-176.4	62.9	0	0	112.7	E552 K553 Q559 D560	E552-M556 WeakPolarHBondContact O-CB 3.46Å; E552-M556 WeakPolarHBondContact O-CG 3.42Å; E552-M556 PolarHBondContact O-N 3.45Å; K553-M556 PolarHBondContact O-N 2.96Å; M556-Q559 PolarHBondContact O-N 3.32Å; M556-D560 PolarHBondContact O-N 3.42Å
557	E	92.2	Very high	90.8	Very high	36 Å²	36	65.7 Å²	65.7	17%	0.168	32%	0.317	C	S	.	.	H	α-helix	trans	-67.7	-38.3	178.1	-71.9	175.7	-166.4	0	0	111.6	P393 L394 Y527 K553 Y561	P393-E557 WeakPolarHBondContact CA-OE1 3.44Å; L394-E557 VanDerWaalsContact CB-OE2 3.3Å; L394-E557 WeakPolarHBondContact CB-OE2 3.43Å; L394-E557 VanDerWaalsContact N-CD 3.34Å; L394-E557 PolarHBondContact N-OE1 2.98Å; L394-E557 PolarHBondContact N-OE2 2.81Å; Y527-E557 HydrophobicContact CD1-CB 4.26Å; Y527-E557 HydrophobicContact CE1-CB 3.49Å; Y527-E557 VanDerWaalsContact CE1-CB 3.49Å; K553-E557 WeakPolarHBondContact CE-OE1 3.31Å; K553-E557 WeakPolarHBondContact CG-OE1 3.3Å; K553-E557 WeakPolarHBondContact O-CG 3.38Å; K553-E557 PolarHBondContact O-N 3.03Å; E557-Y561 WeakPolarHBondContact O-CB 3.31Å; E557-Y561 PolarHBondContact O-N 3.32Å
558	L	92.6	Very high	90.6	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-62.7	-40.2	169.8	179.6	58.5	0	0	0	112.3	E524 Y527 I531 A554 Y561 V562 L573 I576 L577	E524-L558 HydrophobicContact CB-CD1 4.39Å; E524-L558 HydrophobicContact CG-CD1 4.07Å; Y527-L558 HydrophobicContact CD2-CB 4.21Å; Y527-L558 HydrophobicContact CD2-CD1 4.07Å; Y527-L558 HydrophobicContact CG-CB 3.99Å; Y527-L558 HydrophobicContact CG-CD1 4.38Å; I531-L558 HydrophobicContact CD1-CD2 3.71Å; A554-L558 WeakPolarHBondContact O-CB 3.26Å; A554-L558 PolarHBondContact O-N 3.31Å; L558-Y561 PolarHBondContact O-N 2.68Å; L558-V562 HydrophobicContact CD1-CG2 3.9Å; L558-V562 HydrophobicContact CG-CG2 4.44Å; L558-V562 WeakPolarHBondContact O-CB 3.13Å; L558-V562 WeakPolarHBondContact O-CG2 3.37Å; L558-V562 PolarHBondContact O-N 2.91Å; L558-L573 HydrophobicContact CD2-CD1 3.93Å; L558-L573 HydrophobicContact CG-CD1 3.77Å; L558-I576 HydrophobicContact CD2-CG2 4.48Å; L558-L577 HydrophobicContact CD2-CD2 4.3Å
559	Q	92.7	Very high	90.4	Very high	99 Å²	99	71.7 Å²	71.7	46%	0.463	35%	0.346	S	S	.	.	H	α-helix	trans	-64.2	-46.8	177.9	177.2	174	-2.9	0	0	111.9	Q555 M556 V562 Q563 L573	Q555-Q559 WeakPolarHBondContact O-CB 3.12Å; Q555-Q559 PolarHBondContact O-N 3.1Å; M556-Q559 PolarHBondContact O-N 3.32Å; Q559-V562 PolarHBondContact O-N 2.91Å; Q559-Q563 VanDerWaalsContact O-CB 3.26Å; Q559-Q563 WeakPolarHBondContact O-CB 3.49Å; Q559-Q563 PolarHBondContact O-N 3.37Å; Q559-L573 HydrophobicContact CB-CD2 3.87Å; Q559-L573 HydrophobicContact CG-CD2 3.86Å
560	D	90.9	Very high	90.2	Very high	101 Å²	101	73.5 Å²	73.5	54%	0.54	36%	0.364	S	S	.	.	H	α-helix	trans	-62.6	-44.2	176.7	-171.4	74.3	0	0	0	111	M556 V562 Q563 K564	M556-D560 PolarHBondContact O-N 3.42Å; D560-V562 PolarHBondContact O-N 3.3Å; D560-Q563 PolarHBondContact O-N 2.99Å; D560-K564 WeakPolarHBondContact O-CB 3.33Å; D560-K564 PolarHBondContact O-N 2.93Å
561	Y	91.3	Very high	90.2	Very high	42 Å²	42	81 Å²	81	17%	0.165	39%	0.394	C	S	.	.	H	α-helix	trans	-57	-52.2	175.9	-177.2	-89.8	0	0	0	112.2	D521 Y523 E524 E557 L558 Q563 K564 T565 Y566	D521-Y561 WeakPolarHBondContact OD2-CE1 3.39Å; D521-Y561 PolarHBondContact OD2-OH 3.47Å; Y523-Y561 HydrophobicContact CD1-CD2 4.35Å; Y523-Y561 AromaticContact CD1-CE2 3.92Å; Y523-Y561 HydrophobicContact CD1-CE2 3.92Å; Y523-Y561 AromaticContact CD2-CE2 3.82Å; Y523-Y561 HydrophobicContact CD2-CE2 3.82Å; Y523-Y561 AromaticContact CD2-CZ 3.74Å; Y523-Y561 WeakPolarHBondContact CD2-OH 3.3Å; Y523-Y561 HydrophobicContact CE1-CE2 4.47Å; Y523-Y561 HydrophobicContact CE2-CE2 4.4Å; Y523-Y561 HydrophobicContact CG-CD2 4.27Å; Y523-Y561 AromaticContact CG-CE2 3.57Å; Y523-Y561 HydrophobicContact CG-CE2 3.57Å; Y523-Y561 AromaticContact CG-CZ 3.75Å; E524-Y561 HydrophobicContact CG-CD1 4.31Å; E524-Y561 HydrophobicContact CG-CE1 4.18Å; E557-Y561 WeakPolarHBondContact O-CB 3.31Å; E557-Y561 PolarHBondContact O-N 3.32Å; L558-Y561 PolarHBondContact O-N 2.68Å; Y561-Q563 PolarHBondContact O-N 2.74Å; Y561-K564 PolarHBondContact O-N 3.33Å; Y561-T565 HydrophobicContact CE1-CG2 4.31Å; Y561-T565 VanDerWaalsContact O-CB 3.31Å; Y561-T565 WeakPolarHBondContact O-CB 3.18Å; Y561-T565 PolarHBondContact O-N 2.78Å; Y561-T565 PolarHBondContact O-OG1 2.79Å; Y561-T565 VanDerWaalsContact O-OG1 3.08Å; Y561-Y566 HydrophobicContact CE1-CE2 4.42Å
562	V	91.4	Very high	90.1	Very high	6 Å²	6	80.4 Å²	80.4	4%	0.036	39%	0.39	C	S	.	.	H	α-helix	trans	-64.6	-41.7	-179.7	173.2	0	0	0	0	111.1	E524 L558 Q559 D560 K564 Y566 R572 L573	E524-V562 HydrophobicContact CG-CG2 4.45Å; L558-V562 HydrophobicContact CD1-CG2 3.9Å; L558-V562 HydrophobicContact CG-CG2 4.44Å; L558-V562 WeakPolarHBondContact O-CB 3.13Å; L558-V562 WeakPolarHBondContact O-CG2 3.37Å; L558-V562 PolarHBondContact O-N 2.91Å; Q559-V562 PolarHBondContact O-N 2.91Å; D560-V562 PolarHBondContact O-N 3.3Å; V562-K564 VanDerWaalsContact C-N 3.27Å; V562-K564 PolarHBondContact O-N 3.47Å; V562-Y566 CarbonylContact O-C 3.57Å; V562-Y566 WeakPolarHBondContact O-CA 3.33Å; V562-Y566 WeakPolarHBondContact O-CB 3.32Å; V562-Y566 PolarHBondContact O-N 3.34Å; V562-R572 HydrophobicContact CG1-CB 3.9Å; V562-R572 HydrophobicContact CG1-CG 4.19Å; V562-L573 HydrophobicContact CG1-CB 4.15Å
563	Q	90.3	Very high	90.1	Very high	135 Å²	135	76.8 Å²	76.8	63%	0.631	37%	0.374	S	S	*	.	H	α-helix	trans	-65.8	-29.6	178.6	-176.4	171	-17	0	0	112.9	Q559 D560 Y561	Q559-Q563 VanDerWaalsContact O-CB 3.26Å; Q559-Q563 WeakPolarHBondContact O-CB 3.49Å; Q559-Q563 PolarHBondContact O-N 3.37Å; D560-Q563 PolarHBondContact O-N 2.99Å; Y561-Q563 PolarHBondContact O-N 2.74Å
564	K	89.9	Confident	90.2	Very high	166 Å²	166	77.2 Å²	77.2	72%	0.722	39%	0.386	S	S	*	.	H	α-helix	trans	-86.1	-38.8	-179.4	-177.3	-178.4	179.5	-176.6	0	113.4	D560 Y561 V562	D560-K564 WeakPolarHBondContact O-CB 3.33Å; D560-K564 PolarHBondContact O-N 2.93Å; Y561-K564 PolarHBondContact O-N 3.33Å; V562-K564 VanDerWaalsContact C-N 3.27Å; V562-K564 PolarHBondContact O-N 3.47Å
565	T	89.8	Confident	90.2	Very high	66 Å²	66	82.3 Å²	82.3	41%	0.405	41%	0.405	S	S	.	.	H	α-helix	trans	-87.2	-33.2	-177.5	-56.2	0	0	0	0	112.1	Y561	Y561-T565 HydrophobicContact CE1-CG2 4.31Å; Y561-T565 VanDerWaalsContact O-CB 3.31Å; Y561-T565 WeakPolarHBondContact O-CB 3.18Å; Y561-T565 PolarHBondContact O-N 2.78Å; Y561-T565 PolarHBondContact O-OG1 2.79Å; Y561-T565 VanDerWaalsContact O-OG1 3.08Å
566	Y	88.1	Confident	90.2	Very high	68 Å²	68	78.5 Å²	78.5	27%	0.267	39%	0.387	S	S	.	.			trans	-125.9	53.4	-173.1	-60	-79.1	0	0	0	112	D521 Y561 V562 E568 D569	D521-Y566 PolarHBondContact OD2-OH 3.48Å; Y561-Y566 HydrophobicContact CE1-CE2 4.42Å; V562-Y566 CarbonylContact O-C 3.57Å; V562-Y566 WeakPolarHBondContact O-CA 3.33Å; V562-Y566 WeakPolarHBondContact O-CB 3.32Å; V562-Y566 PolarHBondContact O-N 3.34Å; Y566-E568 PolarHBondContact O-N 3.3Å; Y566-E568 VanDerWaalsContact O-N 3.1Å; Y566-D569 PolarHBondContact O-N 2.86Å
567	S	84.1	Confident	90.3	Very high	78 Å²	78	74.6 Å²	74.6	55%	0.545	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-36.8	-177.2	58	0	0	0	0	114.4	D569	S567-D569 VanDerWaalsContact C-N 3.31Å; S567-D569 PolarHBondContact O-N 3.36Å
568	E	84.6	Confident	90.4	Very high	173 Å²	173	77.2 Å²	77.2	81%	0.808	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.5	-18.1	-177.9	-49.7	-50.5	104.6	0	0	113.2	Y566	Y566-E568 PolarHBondContact O-N 3.3Å; Y566-E568 VanDerWaalsContact O-N 3.1Å
569	D	85.3	Confident	90.3	Very high	46 Å²	46	80.2 Å²	80.2	25%	0.246	40%	0.398	C	S	.	.			trans	-112.7	69.7	-171.9	-164.7	-16.9	0	0	0	111.9	Y566 S567 Y571 R572 R575	Y566-D569 PolarHBondContact O-N 2.86Å; S567-D569 VanDerWaalsContact C-N 3.31Å; S567-D569 PolarHBondContact O-N 3.36Å; D569-Y571 PolarHBondContact O-N 3.47Å; D569-Y571 PolarHBondContact OD1-N 3.35Å; D569-R572 HydrophobicContact CB-CB 4.1Å; D569-R572 WeakPolarHBondContact O-CB 3.36Å; D569-R572 PolarHBondContact O-N 3.17Å; D569-R572 PolarHBondContact OD1-N 3.34Å; D569-R572 VanDerWaalsContact OD1-N 3.09Å; D569-R575 IonicContact OD1-CZ 2.68Å; D569-R575 IonicContact OD1-NH2 3.35Å; D569-R575 PolarHBondContact OD1-NH2 3.29Å; D569-R575 IonicContact OD2-CZ 2.68Å; D569-R575 IonicContact OD2-NH2 2.74Å; D569-R575 PolarHBondContact OD2-NH2 3.37Å
570	T	85.6	Confident	90.3	Very high	119 Å²	119	76.7 Å²	76.7	73%	0.73	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-15.4	180	-36.6	0	0	0	0	113.8
571	Y	90	Very high	90.3	Very high	168 Å²	168	75.7 Å²	75.7	66%	0.659	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.8	2.1	-178.8	-60.1	-77	0	0	0	113.9	D569 A574 R575	D569-Y571 PolarHBondContact O-N 3.47Å; D569-Y571 PolarHBondContact OD1-N 3.35Å; Y571-A574 PolarHBondContact O-N 2.8Å; Y571-R575 PolarHBondContact O-N 2.84Å; Y571-R575 VanDerWaalsContact O-N 3.1Å
572	R	92.4	Very high	90.3	Very high	17 Å²	17	75.3 Å²	75.3	6%	0.064	39%	0.387	C	S	.	.	H	α-helix	trans	-60.6	-51.2	179.7	-174.8	167.2	177.2	93.7	0.7	112.1	L518 D519 E524 V562 D569 A574 R575 I576	L518-R572 PolarHBondContact O-NH1 2.94Å; L518-R572 PolarHBondContact O-NH2 3.24Å; D519-R572 PolarHBondContact O-NH2 3.23Å; E524-R572 IonicContact OE1-CZ 2.71Å; E524-R572 IonicContact OE1-NE 2.74Å; E524-R572 PolarHBondContact OE1-NE 2.83Å; E524-R572 IonicContact OE1-NH2 3.8Å; E524-R572 PolarHBondContact OE1-NH2 2.81Å; E524-R572 IonicContact OE2-CZ 2.7Å; E524-R572 IonicContact OE2-NE 3.2Å; E524-R572 IonicContact OE2-NH2 3.81Å; E524-R572 PolarHBondContact OE2-NH2 2.69Å; V562-R572 HydrophobicContact CG1-CB 3.9Å; V562-R572 HydrophobicContact CG1-CG 4.19Å; D569-R572 HydrophobicContact CB-CB 4.1Å; D569-R572 WeakPolarHBondContact O-CB 3.36Å; D569-R572 PolarHBondContact O-N 3.17Å; D569-R572 PolarHBondContact OD1-N 3.34Å; D569-R572 VanDerWaalsContact OD1-N 3.09Å; R572-A574 VanDerWaalsContact C-N 3.3Å; R572-A574 PolarHBondContact O-N 3.44Å; R572-R575 PolarHBondContact O-N 3.02Å; R572-R575 VanDerWaalsContact O-N 3.1Å; R572-I576 HydrophobicContact CG-CD1 3.73Å; R572-I576 HydrophobicContact CG-CG1 4.42Å; R572-I576 WeakPolarHBondContact O-CG1 3.46Å; R572-I576 PolarHBondContact O-N 3.49Å
573	L	92.8	Very high	90.2	Very high	36 Å²	36	75 Å²	75	19%	0.188	39%	0.386	C	S	.	.	H	α-helix	trans	-53.3	-45.5	177.5	-179.6	65.6	0	0	0	112.1	L558 Q559 V562 I576 L577	L558-L573 HydrophobicContact CD2-CD1 3.93Å; L558-L573 HydrophobicContact CG-CD1 3.77Å; Q559-L573 HydrophobicContact CB-CD2 3.87Å; Q559-L573 HydrophobicContact CG-CD2 3.86Å; V562-L573 HydrophobicContact CG1-CB 4.15Å; L573-I576 PolarHBondContact O-N 3.21Å; L573-L577 HydrophobicContact CD1-CD1 4.01Å; L573-L577 HydrophobicContact CD1-CG 4.23Å; L573-L577 HydrophobicContact CG-CD1 4.02Å; L573-L577 WeakPolarHBondContact O-CG 3.4Å; L573-L577 PolarHBondContact O-N 3.44Å
574	A	93.1	Very high	90	Very high	53 Å²	53	74.4 Å²	74.4	44%	0.438	38%	0.377	S	S	.	.	H	α-helix	trans	-65.2	-41.8	179.3	0	0	0	0	0	112.2	Y571 R572 I576 V578	Y571-A574 PolarHBondContact O-N 2.8Å; R572-A574 VanDerWaalsContact C-N 3.3Å; R572-A574 PolarHBondContact O-N 3.44Å; A574-I576 VanDerWaalsContact C-N 3.35Å; A574-V578 WeakPolarHBondContact O-CB 3.44Å; A574-V578 WeakPolarHBondContact O-CG2 3.18Å; A574-V578 PolarHBondContact O-N 2.72Å
575	R	93.1	Very high	89.9	Confident	106 Å²	106	72.3 Å²	72.3	40%	0.4	37%	0.373	S	S	.	.	H	α-helix	trans	-64.7	-38.6	176.4	-76.1	-176.1	-78.2	151.8	-13	112.5	L518 D569 Y571 R572	L518-R575 HydrophobicContact CD2-CB 4.06Å; D569-R575 IonicContact OD1-CZ 2.68Å; D569-R575 IonicContact OD1-NH2 3.35Å; D569-R575 PolarHBondContact OD1-NH2 3.29Å; D569-R575 IonicContact OD2-CZ 2.68Å; D569-R575 IonicContact OD2-NH2 2.74Å; D569-R575 PolarHBondContact OD2-NH2 3.37Å; Y571-R575 PolarHBondContact O-N 2.84Å; Y571-R575 VanDerWaalsContact O-N 3.1Å; R572-R575 PolarHBondContact O-N 3.02Å; R572-R575 VanDerWaalsContact O-N 3.1Å
576	I	92.9	Very high	89.8	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-64.7	-53.3	175.8	-74.4	174.4	0	0	0	111	I520 E524 L528 L558 R572 L573 A574 V578 R579	I520-I576 HydrophobicContact CG1-CG1 4.45Å; E524-I576 HydrophobicContact CB-CD1 4.5Å; E524-I576 VanDerWaalsContact CD-CD1 3.43Å; E524-I576 HydrophobicContact CG-CD1 4.17Å; E524-I576 WeakPolarHBondContact OE1-CD1 3.39Å; L528-I576 HydrophobicContact CD1-CG2 4.04Å; L528-I576 HydrophobicContact CD2-CG2 3.75Å; L528-I576 HydrophobicContact CG-CG2 3.99Å; L558-I576 HydrophobicContact CD2-CG2 4.48Å; R572-I576 HydrophobicContact CG-CD1 3.73Å; R572-I576 HydrophobicContact CG-CG1 4.42Å; R572-I576 WeakPolarHBondContact O-CG1 3.46Å; R572-I576 PolarHBondContact O-N 3.49Å; L573-I576 PolarHBondContact O-N 3.21Å; A574-I576 VanDerWaalsContact C-N 3.35Å; I576-V578 VanDerWaalsContact C-N 3.27Å; I576-V578 PolarHBondContact O-N 2.99Å; I576-R579 VanDerWaalsContact O-CB 3.23Å; I576-R579 WeakPolarHBondContact O-CB 3.42Å; I576-R579 WeakPolarHBondContact O-CG 3.21Å; I576-R579 PolarHBondContact O-N 2.83Å
577	L	93.2	Very high	89.9	Confident	52 Å²	52	69 Å²	69	27%	0.272	36%	0.361	S	S	.	.	H	α-helix	trans	-63.9	-32	-179.6	-67.5	174.7	0	0	0	112.5	I531 L558 L573 R579 L580 P581	I531-L577 HydrophobicContact CD1-CD2 4.08Å; L558-L577 HydrophobicContact CD2-CD2 4.3Å; L573-L577 HydrophobicContact CD1-CD1 4.01Å; L573-L577 HydrophobicContact CD1-CG 4.23Å; L573-L577 HydrophobicContact CG-CD1 4.02Å; L573-L577 WeakPolarHBondContact O-CG 3.4Å; L573-L577 PolarHBondContact O-N 3.44Å; L577-R579 PolarHBondContact O-N 3.26Å; L577-R579 VanDerWaalsContact O-N 3.11Å; L577-L580 HydrophobicContact CD2-CD1 4.11Å; L577-L580 WeakPolarHBondContact O-CB 3.39Å; L577-L580 PolarHBondContact O-N 3.38Å; L577-L580 VanDerWaalsContact O-N 3.07Å; L577-P581 WeakPolarHBondContact O-CD 3.16Å
578	V	93.9	Very high	90.2	Very high	90 Å²	90	67.1 Å²	67.1	55%	0.545	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	6.1	173.6	174.5	0	0	0	0	113	A574 I576	A574-V578 WeakPolarHBondContact O-CB 3.44Å; A574-V578 WeakPolarHBondContact O-CG2 3.18Å; A574-V578 PolarHBondContact O-N 2.72Å; I576-V578 VanDerWaalsContact C-N 3.27Å; I576-V578 PolarHBondContact O-N 2.99Å
579	R	91.8	Very high	90.3	Very high	63 Å²	63	64 Å²	64	24%	0.238	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-32.2	162.7	-56.8	-61.7	80	-157.9	-9.5	112.6	F511 S514 M515 L518 I576 L577 A582 L583	F511-R579 HydrophobicContact CE2-CB 4.26Å; S514-R579 PolarHBondContact OG-NH1 3.06Å; M515-R579 HydrophobicContact SD-CB 3.86Å; M515-R579 HydrophobicContact SD-CG 3.67Å; L518-R579 HydrophobicContact CD1-CG 3.96Å; I576-R579 VanDerWaalsContact O-CB 3.23Å; I576-R579 WeakPolarHBondContact O-CB 3.42Å; I576-R579 WeakPolarHBondContact O-CG 3.21Å; I576-R579 PolarHBondContact O-N 2.83Å; L577-R579 PolarHBondContact O-N 3.26Å; L577-R579 VanDerWaalsContact O-N 3.11Å; R579-A582 WeakPolarHBondContact O-CB 3.25Å; R579-A582 PolarHBondContact O-N 3.39Å; R579-A582 VanDerWaalsContact O-N 3.1Å; R579-L583 PolarHBondContact O-N 3.41Å
580	L	91.8	Very high	90.3	Very high	25 Å²	25	62.9 Å²	62.9	13%	0.131	33%	0.331	C	S	.	.	H	α-helix	trans	-60.1	-38.5	-175.4	-62.7	176.5	0	0	0	114.4	L528 I531 V532 L577 A582 L583 R584	L528-L580 HydrophobicContact CD2-CD1 4.29Å; L528-L580 HydrophobicContact CD2-CD2 3.84Å; L528-L580 HydrophobicContact CD2-CG 4.06Å; I531-L580 HydrophobicContact CG2-CD1 3.76Å; V532-L580 HydrophobicContact CG2-CD2 3.57Å; L577-L580 HydrophobicContact CD2-CD1 4.11Å; L577-L580 WeakPolarHBondContact O-CB 3.39Å; L577-L580 PolarHBondContact O-N 3.38Å; L577-L580 VanDerWaalsContact O-N 3.07Å; L580-A582 PolarHBondContact O-N 3.5Å; L580-L583 HydrophobicContact CD2-CD2 4.19Å; L580-L583 VanDerWaalsContact O-CB 3.3Å; L580-L583 WeakPolarHBondContact O-CB 3.5Å; L580-L583 PolarHBondContact O-N 3.25Å; L580-L583 VanDerWaalsContact O-N 3.13Å; L580-R584 PolarHBondContact O-N 3.25Å
581	P	91.5	Very high	90.5	Very high	80 Å²	80	57.3 Å²	57.3	52%	0.519	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-25.8	175.7	-24.8	35.9	0	0	0	114.3	L577	L577-P581 WeakPolarHBondContact O-CD 3.16Å
582	A	89.9	Confident	90.3	Very high	34 Å²	34	51 Å²	51	28%	0.281	27%	0.273	S	S	.	.	H	α-helix	trans	-76.4	-33.1	175.2	0	0	0	0	0	111.7	F511 R579 L580 L585 M586	F511-A582 HydrophobicContact CD2-CB 4.36Å; R579-A582 WeakPolarHBondContact O-CB 3.25Å; R579-A582 PolarHBondContact O-N 3.39Å; R579-A582 VanDerWaalsContact O-N 3.1Å; L580-A582 PolarHBondContact O-N 3.5Å; A582-L585 WeakPolarHBondContact O-CB 3.48Å; A582-L585 PolarHBondContact O-N 2.87Å; A582-L585 VanDerWaalsContact O-N 3.16Å; A582-M586 VanDerWaalsContact O-CE 3.32Å; A582-M586 WeakPolarHBondContact O-CE 3.45Å
583	L	89.4	Confident	89.9	Confident	1 Å²	1	53 Å²	53	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-63	-42.6	177	-166.3	61	0	0	0	111.5	E458 T461 L462 F511 V532 R579 L580 L585 M586	E458-L583 HydrophobicContact CB-CD1 4.43Å; E458-L583 HydrophobicContact CB-CD2 3.73Å; E458-L583 HydrophobicContact CB-CG 3.74Å; E458-L583 HydrophobicContact CG-CD2 4.28Å; E458-L583 HydrophobicContact CG-CG 3.88Å; T461-L583 HydrophobicContact CG2-CD1 3.48Å; T461-L583 VanDerWaalsContact CG2-CD1 3.48Å; L462-L583 HydrophobicContact CD1-CD2 3.73Å; L462-L583 HydrophobicContact CD2-CD2 4.23Å; L462-L583 HydrophobicContact CG-CD1 4.47Å; L462-L583 HydrophobicContact CG-CD2 3.69Å; F511-L583 HydrophobicContact CE1-CD1 4.1Å; F511-L583 HydrophobicContact CE2-CB 4.23Å; F511-L583 HydrophobicContact CE2-CD1 4.16Å; F511-L583 HydrophobicContact CZ-CD1 3.79Å; V532-L583 HydrophobicContact CG2-CD2 3.83Å; R579-L583 PolarHBondContact O-N 3.41Å; L580-L583 HydrophobicContact CD2-CD2 4.19Å; L580-L583 VanDerWaalsContact O-CB 3.3Å; L580-L583 WeakPolarHBondContact O-CB 3.5Å; L580-L583 PolarHBondContact O-N 3.25Å; L580-L583 VanDerWaalsContact O-N 3.13Å; L583-L585 PolarHBondContact O-N 3.14Å; L583-L585 VanDerWaalsContact O-N 3.07Å; L583-M586 WeakPolarHBondContact O-CB 3.38Å; L583-M586 WeakPolarHBondContact O-CG 3.27Å; L583-M586 PolarHBondContact O-N 3.28Å
584	R	87.7	Confident	89.4	Confident	122 Å²	122	52.1 Å²	52.1	46%	0.46	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-7	173.4	-70.5	-178.7	172.2	-163	-5.1	115.3	E458 S535 D537 L580	E458-R584 WeakPolarHBondContact OE1-CG 3.5Å; S535-R584 PolarHBondContact OG-NH2 2.97Å; D537-R584 IonicContact OD2-CZ 3.47Å; D537-R584 IonicContact OD2-NH1 2.74Å; D537-R584 PolarHBondContact OD2-NH1 2.74Å; D537-R584 IonicContact OD2-NH2 3.63Å; D537-R584 PolarHBondContact OD2-NH2 3.31Å; L580-R584 PolarHBondContact O-N 3.25Å
585	L	87.8	Confident	88.9	Confident	122 Å²	122	49.6 Å²	49.6	64%	0.639	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	1.5	174.8	-63.1	173.4	0	0	0	113.2	A582 L583	A582-L585 WeakPolarHBondContact O-CB 3.48Å; A582-L585 PolarHBondContact O-N 2.87Å; A582-L585 VanDerWaalsContact O-N 3.16Å; L583-L585 PolarHBondContact O-N 3.14Å; L583-L585 VanDerWaalsContact O-N 3.07Å
586	M	87.9	Confident	88.4	Confident	19 Å²	19	44.8 Å²	44.8	9%	0.094	24%	0.239	C	C	.	.	S	Bend	trans	-80	134.1	175	-59.8	-53.5	90.3	0	0	110	N457 T461 K507 A582 L583	N457-M586 WeakPolarHBondContact ND2-CB 3.49Å; N457-M586 PolarHBondContact ND2-O 2.99Å; N457-M586 VanDerWaalsContact ND2-O 3.16Å; T461-M586 HydrophobicContact CG2-CG 4.45Å; K507-M586 HydrophobicContact CB-CE 3.69Å; K507-M586 HydrophobicContact CB-SD 4.13Å; K507-M586 HydrophobicContact CD-CE 4.1Å; K507-M586 HydrophobicContact CG-CE 4.35Å; A582-M586 VanDerWaalsContact O-CE 3.32Å; A582-M586 WeakPolarHBondContact O-CE 3.45Å; L583-M586 WeakPolarHBondContact O-CB 3.38Å; L583-M586 WeakPolarHBondContact O-CG 3.27Å; L583-M586 PolarHBondContact O-N 3.28Å
587	S	89.3	Confident	87.5	Confident	46 Å²	46	48.4 Å²	48.4	32%	0.322	26%	0.262	S	S	.	.			trans	-89.1	114.3	178.8	-179.2	0	0	0	0	109.8	H504 N589 I590 T591	H504-S587 PolarHBondContact CD2-N 3.38Å; H504-S587 PolarHBondContact NE2-N 2.82Å; H504-S587 PolarHBondContact NE2-O 3Å; S587-N589 VanDerWaalsContact C-N 3.26Å; S587-N589 PolarHBondContact O-N 2.96Å; S587-I590 PolarHBondContact O-N 2.92Å; S587-I590 VanDerWaalsContact O-N 3.07Å; S587-T591 PolarHBondContact O-N 2.95Å; S587-T591 PolarHBondContact O-OG1 2.73Å
588	S	89.9	Confident	86.1	Confident	38 Å²	38	48 Å²	48	27%	0.266	27%	0.27	S	S	.	.	H	α-helix	trans	-49.3	-48.7	175.5	46.3	0	0	0	0	111.7	I590 T591 E592	S588-I590 PolarHBondContact O-N 3Å; S588-T591 CarbonylContact O-C 3.52Å; S588-T591 WeakPolarHBondContact O-CA 3.14Å; S588-T591 WeakPolarHBondContact O-CB 3.43Å; S588-T591 PolarHBondContact O-N 3.48Å; S588-E592 WeakPolarHBondContact O-CG 3.37Å; S588-E592 PolarHBondContact O-N 2.89Å
589	N	86.4	Confident	84.8	Confident	107 Å²	107	44.8 Å²	44.8	57%	0.572	25%	0.25	S	C	*	.	H	α-helix	trans	-60.4	-32.3	-177.2	-55.3	19.5	0	0	0	112.4	S587 E593	S587-N589 VanDerWaalsContact C-N 3.26Å; S587-N589 PolarHBondContact O-N 2.96Å; N589-E593 WeakPolarHBondContact O-CB 3.39Å; N589-E593 PolarHBondContact O-N 2.9Å
590	I	86.7	Confident	83.4	Confident	23 Å²	23	42.2 Å²	42.2	12%	0.118	24%	0.241	C	C	.	.	H	α-helix	trans	-82.5	-32.8	177.7	-55.9	176	0	0	0	110.4	Q500 V501 H504 S587 S588 E592 E593 L594	Q500-I590 HydrophobicContact CB-CD1 4.28Å; V501-I590 HydrophobicContact CG2-CG2 4.23Å; H504-I590 HydrophobicContact CB-CB 4.3Å; H504-I590 HydrophobicContact CB-CD1 4.22Å; H504-I590 HydrophobicContact CB-CG2 3.6Å; S587-I590 PolarHBondContact O-N 2.92Å; S587-I590 VanDerWaalsContact O-N 3.07Å; S588-I590 PolarHBondContact O-N 3Å; I590-E592 VanDerWaalsContact C-N 3.35Å; I590-E593 PolarHBondContact O-N 3.14Å; I590-L594 HydrophobicContact CG2-CD1 3.93Å; I590-L594 HydrophobicContact CG2-CG 4.2Å; I590-L594 VanDerWaalsContact O-CB 3.3Å; I590-L594 WeakPolarHBondContact O-CB 3.22Å; I590-L594 WeakPolarHBondContact O-CD1 3.13Å; I590-L594 WeakPolarHBondContact O-CG 3.33Å; I590-L594 PolarHBondContact O-N 3.32Å
591	T	88.1	Confident	82.2	Confident	1 Å²	1	43.3 Å²	43.3	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-61.3	-42.1	167.9	-54.6	0	0	0	0	111.5	W456 N457 F460 H504 S587 S588 L594 F595	W456-T591 HydrophobicContact CH2-CG2 4.41Å; W456-T591 HydrophobicContact CZ3-CG2 4.23Å; N457-T591 VanDerWaalsContact OD1-CB 3.26Å; N457-T591 WeakPolarHBondContact OD1-CB 3.24Å; N457-T591 PolarHBondContact OD1-OG1 3.34Å; F460-T591 HydrophobicContact CD1-CG2 3.67Å; F460-T591 HydrophobicContact CE1-CG2 3.69Å; H504-T591 PolarHBondContact CE1-OG1 2.89Å; S587-T591 PolarHBondContact O-N 2.95Å; S587-T591 PolarHBondContact O-OG1 2.73Å; S588-T591 CarbonylContact O-C 3.52Å; S588-T591 WeakPolarHBondContact O-CA 3.14Å; S588-T591 WeakPolarHBondContact O-CB 3.43Å; S588-T591 PolarHBondContact O-N 3.48Å; T591-L594 PolarHBondContact O-N 3.45Å; T591-F595 HydrophobicContact CG2-CD2 4.04Å; T591-F595 PolarHBondContact O-N 2.89Å; T591-F595 VanDerWaalsContact O-N 3.11Å
592	E	87.4	Confident	80.9	Confident	37 Å²	37	47.9 Å²	47.9	17%	0.173	28%	0.278	C	S	.	.	H	α-helix	trans	-59	-50.5	171.6	-67.1	-173	148.2	0	0	111.1	W456 S588 I590 L594 F595 F596 T597 I605	W456-E592 HydrophobicContact CH2-CG 3.63Å; W456-E592 HydrophobicContact CZ2-CG 3.77Å; S588-E592 WeakPolarHBondContact O-CG 3.37Å; S588-E592 PolarHBondContact O-N 2.89Å; I590-E592 VanDerWaalsContact C-N 3.35Å; E592-L594 VanDerWaalsContact C-N 3.33Å; E592-L594 PolarHBondContact O-N 3.23Å; E592-F595 PolarHBondContact O-N 3.47Å; E592-F596 WeakPolarHBondContact O-CA 3.34Å; E592-F596 WeakPolarHBondContact O-CB 3.43Å; E592-F596 PolarHBondContact O-N 2.9Å; E592-T597 PolarHBondContact O-N 3.38Å; E592-I605 HydrophobicContact CG-CG1 3.88Å; E592-I605 WeakPolarHBondContact OE1-CB 2.89Å; E592-I605 WeakPolarHBondContact OE1-CG1 3.4Å; E592-I605 PolarHBondContact OE1-N 3.46Å
593	E	83	Confident	80.2	Confident	57 Å²	57	48.6 Å²	48.6	27%	0.266	28%	0.279	S	S	.	.	H	α-helix	trans	-58.6	-42.6	179.9	-173.5	168.5	163.6	0	0	112.5	R497 N589 I590 T597	R497-E593 IonicContact CZ-OE1 3.6Å; R497-E593 IonicContact CZ-OE2 2.68Å; R497-E593 IonicContact NE-OE1 2.74Å; R497-E593 PolarHBondContact NE-OE1 3.38Å; R497-E593 IonicContact NE-OE2 2.61Å; R497-E593 PolarHBondContact NE-OE2 3.5Å; R497-E593 IonicContact NH2-OE1 3.81Å; R497-E593 PolarHBondContact NH2-OE1 3.04Å; R497-E593 IonicContact NH2-OE2 2.76Å; R497-E593 PolarHBondContact NH2-OE2 2.88Å; N589-E593 WeakPolarHBondContact O-CB 3.39Å; N589-E593 PolarHBondContact O-N 2.9Å; I590-E593 PolarHBondContact O-N 3.14Å; E593-T597 VanDerWaalsContact CA-OG1 3.23Å; E593-T597 WeakPolarHBondContact CA-OG1 3.48Å; E593-T597 PolarHBondContact O-OG1 3.14Å
594	L	81.9	Confident	79.8	Confident	18 Å²	18	50.4 Å²	50.4	9%	0.094	29%	0.291	C	S	.	.	H	α-helix	trans	-72.3	-39.2	-176.9	-76.6	169.1	0	0	0	114.4	I480 V501 I505 I590 T591 E592	I480-L594 HydrophobicContact CG2-CD2 3.75Å; V501-L594 HydrophobicContact CG1-CD2 3.73Å; V501-L594 HydrophobicContact CG1-CG 4.38Å; I505-L594 HydrophobicContact CD1-CD2 3.81Å; I505-L594 HydrophobicContact CG1-CD1 4.03Å; I505-L594 HydrophobicContact CG1-CD2 3.8Å; I590-L594 HydrophobicContact CG2-CD1 3.93Å; I590-L594 HydrophobicContact CG2-CG 4.2Å; I590-L594 VanDerWaalsContact O-CB 3.3Å; I590-L594 WeakPolarHBondContact O-CB 3.22Å; I590-L594 WeakPolarHBondContact O-CD1 3.13Å; I590-L594 WeakPolarHBondContact O-CG 3.33Å; I590-L594 PolarHBondContact O-N 3.32Å; T591-L594 PolarHBondContact O-N 3.45Å; E592-L594 VanDerWaalsContact C-N 3.33Å; E592-L594 PolarHBondContact O-N 3.23Å
595	F	82.7	Confident	79.6	Confident	1 Å²	1	44.7 Å²	44.7	0%	0.004	27%	0.27	C	S	.	.	H	α-helix	trans	-116.3	-15.4	-166	-70.7	-75.5	0	0	0	114.9	I419 C420 A423 F460 L464 L473 I476 L477 L508 T591 E592	I419-F595 HydrophobicContact CG2-CD1 3.99Å; I419-F595 HydrophobicContact CG2-CE1 4.46Å; C420-F595 WeakPolarHBondContact CA-O 3.34Å; A423-F595 HydrophobicContact CB-CB 3.82Å; A423-F595 HydrophobicContact CB-CD1 4.04Å; A423-F595 HydrophobicContact CB-CG 4.29Å; F460-F595 AromaticContact CE1-CD2 3.96Å; F460-F595 HydrophobicContact CE1-CD2 3.96Å; F460-F595 HydrophobicContact CE1-CE2 4.23Å; F460-F595 HydrophobicContact CE1-CG 4.3Å; F460-F595 HydrophobicContact CZ-CB 4.42Å; F460-F595 HydrophobicContact CZ-CD2 4.3Å; F460-F595 HydrophobicContact CZ-CG 4.17Å; L464-F595 HydrophobicContact CD2-CE2 4.33Å; L464-F595 HydrophobicContact CD2-CZ 3.9Å; L473-F595 HydrophobicContact CD1-CZ 4.31Å; I476-F595 HydrophobicContact CG2-CE1 4.3Å; L477-F595 HydrophobicContact CD2-CZ 4.26Å; L508-F595 HydrophobicContact CD2-CE2 3.83Å; L508-F595 HydrophobicContact CD2-CZ 4Å; T591-F595 HydrophobicContact CG2-CD2 4.04Å; T591-F595 PolarHBondContact O-N 2.89Å; T591-F595 VanDerWaalsContact O-N 3.11Å; E592-F595 PolarHBondContact O-N 3.47Å
596	F	82.1	Confident	79.4	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.018	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.2	-18.8	-167.4	-63	-80.2	0	0	0	115.2	A423 L427 F460 E592 G598 L599 I600 I605	A423-F596 HydrophobicContact CB-CE1 4.03Å; A423-F596 HydrophobicContact CB-CE2 4.46Å; A423-F596 HydrophobicContact CB-CZ 3.9Å; L427-F596 HydrophobicContact CB-CE1 4.28Å; L427-F596 HydrophobicContact CB-CZ 4.11Å; L427-F596 HydrophobicContact CD2-CE1 3.97Å; L427-F596 HydrophobicContact CD2-CZ 4.1Å; F460-F596 HydrophobicContact CD2-CZ 4.34Å; F460-F596 HydrophobicContact CE1-CE2 4.42Å; F460-F596 HydrophobicContact CE2-CE2 4.16Å; F460-F596 AromaticContact CE2-CZ 3.76Å; F460-F596 HydrophobicContact CE2-CZ 3.76Å; F460-F596 HydrophobicContact CZ-CE2 4.02Å; F460-F596 HydrophobicContact CZ-CZ 4.03Å; E592-F596 WeakPolarHBondContact O-CA 3.34Å; E592-F596 WeakPolarHBondContact O-CB 3.43Å; E592-F596 PolarHBondContact O-N 2.9Å; F596-G598 VanDerWaalsContact C-N 3.26Å; F596-G598 PolarHBondContact O-N 2.98Å; F596-G598 VanDerWaalsContact O-N 3.13Å; F596-L599 PolarHBondContact O-N 3Å; F596-I600 HydrophobicContact CB-CD1 3.76Å; F596-I600 HydrophobicContact CB-CG1 4.12Å; F596-I600 HydrophobicContact CD1-CD1 3.89Å; F596-I600 HydrophobicContact CG-CD1 4.15Å; F596-I600 PolarHBondContact O-N 3.45Å; F596-I605 HydrophobicContact CD1-CD1 4.06Å; F596-I605 HydrophobicContact CD2-CD1 4.42Å; F596-I605 HydrophobicContact CE1-CD1 4.39Å; F596-I605 HydrophobicContact CG-CD1 4.07Å
597	T	73.8	Confident	79.2	Confident	77 Å²	77	43.3 Å²	43.3	47%	0.472	27%	0.268	S	S	.	.	H	α-helix	trans	-44.8	-47.8	177.8	-55.3	0	0	0	0	113.4	E592 E593 L599 G601	E592-T597 PolarHBondContact O-N 3.38Å; E593-T597 VanDerWaalsContact CA-OG1 3.23Å; E593-T597 WeakPolarHBondContact CA-OG1 3.48Å; E593-T597 PolarHBondContact O-OG1 3.14Å; T597-L599 PolarHBondContact O-N 2.72Å; T597-L599 VanDerWaalsContact O-N 3.11Å; T597-G601 PolarHBondContact O-N 2.89Å; T597-G601 VanDerWaalsContact O-N 3.14Å
598	G	64.3	Low	79	Confident	43 Å²	43	41.1 Å²	41.1	44%	0.443	25%	0.252	S	S	.	.	H	α-helix	trans	-73.5	3.9	-175.8	0	0	0	0	0	115.8	F596	F596-G598 VanDerWaalsContact C-N 3.26Å; F596-G598 PolarHBondContact O-N 2.98Å; F596-G598 VanDerWaalsContact O-N 3.13Å
599	L	67.3	Low	78.7	Confident	23 Å²	23	39.3 Å²	39.3	12%	0.12	24%	0.24	C	C	.	.	H	α-helix	trans	-135.8	-23	-178.2	-159.9	148.1	0	0	0	112.9	L307 L310 A311 C420 F596 T597	L307-L599 HydrophobicContact CD2-CD1 4.04Å; L310-L599 HydrophobicContact CB-CD2 3.75Å; L310-L599 HydrophobicContact CD2-CD2 3.74Å; L310-L599 HydrophobicContact CG-CD2 4.26Å; A311-L599 HydrophobicContact CB-CD2 4.25Å; C420-L599 HydrophobicContact CB-CB 3.85Å; C420-L599 HydrophobicContact CB-CD1 3.81Å; C420-L599 HydrophobicContact CB-CG 4.5Å; F596-L599 PolarHBondContact O-N 3Å; T597-L599 PolarHBondContact O-N 2.72Å; T597-L599 VanDerWaalsContact O-N 3.11Å
600	I	61.4	Low	78.6	Confident	9 Å²	9	35.1 Å²	35.1	5%	0.046	22%	0.218	C	C	.	.	H	α-helix	trans	-112.3	-23.6	-175.9	-51.9	-167.9	0	0	0	112.8	L310 V314 F596 N602 V603 I605 I608	L310-I600 HydrophobicContact CD1-CD1 4.27Å; L310-I600 HydrophobicContact CD2-CD1 3.46Å; L310-I600 VanDerWaalsContact CD2-CD1 3.46Å; L310-I600 HydrophobicContact CD2-CG1 3.51Å; V314-I600 HydrophobicContact CG2-CG2 3.96Å; F596-I600 HydrophobicContact CB-CD1 3.76Å; F596-I600 HydrophobicContact CB-CG1 4.12Å; F596-I600 HydrophobicContact CD1-CD1 3.89Å; F596-I600 HydrophobicContact CG-CD1 4.15Å; F596-I600 PolarHBondContact O-N 3.45Å; I600-N602 PolarHBondContact O-N 3.5Å; I600-V603 HydrophobicContact CG2-CB 3.72Å; I600-V603 WeakPolarHBondContact CG2-O 3.35Å; I600-I605 HydrophobicContact CD1-CD1 3.34Å; I600-I608 HydrophobicContact CD1-CD1 3.97Å; I600-I608 HydrophobicContact CG2-CD1 3.67Å
601	G	67.1	Low	78.3	Confident	48 Å²	48	39 Å²	39	50%	0.495	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	-118	-175.2	0	0	0	0	0	111.7	T597	T597-G601 PolarHBondContact O-N 2.89Å; T597-G601 VanDerWaalsContact O-N 3.14Å
602	N	65.1	Low	78.1	Confident	176 Å²	176	39 Å²	39	94%	0.941	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.3	2.5	-172.4	-67.7	-12	0	0	0	114.9	I600	I600-N602 PolarHBondContact O-N 3.5Å
603	V	74.3	Confident	77.8	Confident	49 Å²	49	37.5 Å²	37.5	30%	0.297	23%	0.225	S	C	.	.			trans	-88.3	138.3	-179.6	-174.8	0	0	0	0	110.3	V314 L317 I600 I608	V314-V603 HydrophobicContact CG1-CG2 4.28Å; L317-V603 HydrophobicContact CD2-CG1 4.07Å; I600-V603 HydrophobicContact CG2-CB 3.72Å; I600-V603 WeakPolarHBondContact CG2-O 3.35Å; V603-I608 HydrophobicContact CB-CD1 4.41Å; V603-I608 HydrophobicContact CG1-CD1 3.89Å; V603-I608 HydrophobicContact CG1-CG1 3.9Å
604	S	80.9	Confident	77.5	Confident	39 Å²	39	41.6 Å²	41.6	27%	0.273	24%	0.242	S	C	.	.			trans	-83.2	151.2	175.9	62.7	0	0	0	0	112.8	D606 S607	S604-D606 PolarHBondContact O-N 2.95Å; S604-S607 VanDerWaalsContact O-CB 3.31Å; S604-S607 WeakPolarHBondContact O-CB 3.44Å; S604-S607 PolarHBondContact O-N 2.84Å; S604-S607 PolarHBondContact OG-OG 3.05Å
605	I	84.6	Confident	77.2	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-59.3	-35.4	173.4	-61.9	-62.3	0	0	0	110.7	L427 W456 E592 F596 I600 S607 I608 I609	L427-I605 HydrophobicContact CD1-CG2 4.37Å; L427-I605 HydrophobicContact CD2-CD1 3.81Å; L427-I605 HydrophobicContact CD2-CG2 4.05Å; W456-I605 HydrophobicContact CD2-CB 4.33Å; W456-I605 HydrophobicContact CD2-CG2 3.69Å; W456-I605 HydrophobicContact CE3-CG2 3.99Å; W456-I605 HydrophobicContact CG-CG2 4.15Å; W456-I605 HydrophobicContact CH2-CB 4.13Å; W456-I605 HydrophobicContact CH2-CG1 3.92Å; W456-I605 HydrophobicContact CH2-CG2 4.35Å; W456-I605 HydrophobicContact CZ2-CB 3.73Å; W456-I605 HydrophobicContact CZ2-CG1 4.01Å; W456-I605 HydrophobicContact CZ2-CG2 4.04Å; W456-I605 HydrophobicContact CZ3-CG1 4.34Å; W456-I605 HydrophobicContact CZ3-CG2 4.31Å; E592-I605 HydrophobicContact CG-CG1 3.88Å; E592-I605 WeakPolarHBondContact OE1-CB 2.89Å; E592-I605 WeakPolarHBondContact OE1-CG1 3.4Å; E592-I605 PolarHBondContact OE1-N 3.46Å; F596-I605 HydrophobicContact CD1-CD1 4.06Å; F596-I605 HydrophobicContact CD2-CD1 4.42Å; F596-I605 HydrophobicContact CE1-CD1 4.39Å; F596-I605 HydrophobicContact CG-CD1 4.07Å; I600-I605 HydrophobicContact CD1-CD1 3.34Å; I605-S607 PolarHBondContact O-N 3.43Å; I605-S607 VanDerWaalsContact O-N 3.15Å; I605-I608 PolarHBondContact O-N 3.19Å; I605-I609 HydrophobicContact CG2-CD1 3.88Å; I605-I609 HydrophobicContact CG2-CG1 3.99Å; I605-I609 WeakPolarHBondContact O-CG1 3.49Å; I605-I609 PolarHBondContact O-N 2.93Å
606	D	83.9	Confident	76.2	Confident	62 Å²	62	48.7 Å²	48.7	33%	0.332	28%	0.275	S	S	.	.	H	α-helix	trans	-57.1	-28.9	174.8	-66.7	-13.3	0	0	0	113.5	R453 W456 S604	R453-D606 HydrophobicContact CG-CB 4.41Å; R453-D606 PolarHBondContact NE-O 3.23Å; R453-D606 PolarHBondContact NH2-O 3.23Å; R453-D606 VanDerWaalsContact NH2-O 3.15Å; W456-D606 PolarHBondContact NE1-OD1 3.44Å; S604-D606 PolarHBondContact O-N 2.95Å
607	S	83.3	Confident	74.8	Confident	51 Å²	51	51.2 Å²	51.2	36%	0.357	29%	0.291	S	S	.	.	H	α-helix	trans	-78.6	-27.3	175.8	-55.4	0	0	0	0	112.1	S604 I605 P610 Y611	S604-S607 VanDerWaalsContact O-CB 3.31Å; S604-S607 WeakPolarHBondContact O-CB 3.44Å; S604-S607 PolarHBondContact O-N 2.84Å; S604-S607 PolarHBondContact OG-OG 3.05Å; I605-S607 PolarHBondContact O-N 3.43Å; I605-S607 VanDerWaalsContact O-N 3.15Å; S607-P610 WeakPolarHBondContact O-CD 3.33Å; S607-Y611 WeakPolarHBondContact O-CD2 3.28Å; S607-Y611 WeakPolarHBondContact O-CE2 3.45Å
608	I	83.8	Confident	73.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-96.1	-30.8	-170.8	-58.7	168.2	0	0	0	112	L310 V313 V314 I600 V603 I605 P610 Y611 I612	L310-I608 HydrophobicContact CD2-CD1 4.36Å; V313-I608 HydrophobicContact CG1-CG2 4.03Å; V314-I608 HydrophobicContact CG2-CD1 3.78Å; I600-I608 HydrophobicContact CD1-CD1 3.97Å; I600-I608 HydrophobicContact CG2-CD1 3.67Å; V603-I608 HydrophobicContact CB-CD1 4.41Å; V603-I608 HydrophobicContact CG1-CD1 3.89Å; V603-I608 HydrophobicContact CG1-CG1 3.9Å; I605-I608 PolarHBondContact O-N 3.19Å; I608-P610 VanDerWaalsContact C-N 3.35Å; I608-Y611 WeakPolarHBondContact O-CB 3.12Å; I608-Y611 PolarHBondContact O-N 3Å; I608-I612 HydrophobicContact CG2-CD1 3.86Å; I608-I612 HydrophobicContact CG2-CG1 4Å; I608-I612 PolarHBondContact O-N 2.94Å; I608-I612 VanDerWaalsContact O-N 3.17Å
609	I	85.6	Confident	72.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-44.1	-45.4	175.7	-79.9	165.1	0	0	0	114.9	M431 V452 R453 W456 I605 Y611 I612 L613	M431-I609 HydrophobicContact SD-CG1 4.15Å; V452-I609 HydrophobicContact CB-CG2 4.13Å; V452-I609 HydrophobicContact CG1-CD1 4.22Å; V452-I609 HydrophobicContact CG1-CG1 4.35Å; V452-I609 HydrophobicContact CG1-CG2 3.67Å; R453-I609 HydrophobicContact CG-CB 4.4Å; R453-I609 HydrophobicContact CG-CD1 4.17Å; R453-I609 HydrophobicContact CG-CG2 4.15Å; W456-I609 HydrophobicContact CB-CD1 3.71Å; W456-I609 HydrophobicContact CG-CD1 3.62Å; I605-I609 HydrophobicContact CG2-CD1 3.88Å; I605-I609 HydrophobicContact CG2-CG1 3.99Å; I605-I609 WeakPolarHBondContact O-CG1 3.49Å; I605-I609 PolarHBondContact O-N 2.93Å; I609-Y611 PolarHBondContact O-N 3.21Å; I609-I612 PolarHBondContact O-N 3.33Å; I609-L613 HydrophobicContact CG2-CD1 3.94Å; I609-L613 HydrophobicContact CG2-CG 4.41Å; I609-L613 WeakPolarHBondContact O-CG 3.38Å; I609-L613 PolarHBondContact O-N 3.21Å
610	P	83.1	Confident	71.3	Confident	19 Å²	19	53.2 Å²	53.2	12%	0.123	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-25.2	179.9	-18.3	29.3	0	0	0	113.8	T449 S607 I608 K614	T449-P610 HydrophobicContact CG2-CB 3.82Å; T449-P610 HydrophobicContact CG2-CG 3.63Å; S607-P610 WeakPolarHBondContact O-CD 3.33Å; I608-P610 VanDerWaalsContact C-N 3.35Å; P610-K614 WeakPolarHBondContact O-CD 3.35Å; P610-K614 VanDerWaalsContact O-CG 3.27Å; P610-K614 WeakPolarHBondContact O-CG 3.25Å
611	Y	80.6	Confident	70.3	Confident	104 Å²	104	56.7 Å²	56.7	41%	0.408	31%	0.312	S	S	.	.	H	α-helix	trans	-85.1	-44.5	178.8	-59.1	-91.7	0	0	0	110.4	L317 S607 I608 I609 L613 K614 M615	L317-Y611 HydrophobicContact CD1-CE1 4.27Å; L317-Y611 HydrophobicContact CD1-CE2 3.85Å; L317-Y611 WeakPolarHBondContact CD1-OH 3.47Å; S607-Y611 WeakPolarHBondContact O-CD2 3.28Å; S607-Y611 WeakPolarHBondContact O-CE2 3.45Å; I608-Y611 WeakPolarHBondContact O-CB 3.12Å; I608-Y611 PolarHBondContact O-N 3Å; I609-Y611 PolarHBondContact O-N 3.21Å; Y611-L613 VanDerWaalsContact C-N 3.27Å; Y611-L613 PolarHBondContact O-N 3.42Å; Y611-K614 WeakPolarHBondContact O-CA 3.42Å; Y611-K614 WeakPolarHBondContact O-CB 3.44Å; Y611-K614 PolarHBondContact O-N 3.24Å; Y611-M615 WeakPolarHBondContact O-CG 3.4Å; Y611-M615 PolarHBondContact O-N 2.63Å
612	I	83.2	Confident	69	Low	0 Å²	0	56.7 Å²	56.7	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57.5	-41.2	174.9	-59.6	169.3	0	0	0	111.1	L427 F428 M431 I608 I609 K614	L427-I612 HydrophobicContact CD2-CD1 4.11Å; L427-I612 HydrophobicContact CG-CD1 4.49Å; F428-I612 HydrophobicContact CD1-CG2 3.78Å; F428-I612 HydrophobicContact CE1-CB 4.43Å; F428-I612 HydrophobicContact CE1-CG1 4.16Å; F428-I612 HydrophobicContact CE1-CG2 3.9Å; F428-I612 HydrophobicContact CE2-CD1 4.32Å; F428-I612 HydrophobicContact CE2-CG1 4.19Å; F428-I612 HydrophobicContact CG-CG2 4.21Å; F428-I612 HydrophobicContact CZ-CG1 3.89Å; F428-I612 HydrophobicContact CZ-CG2 4.43Å; M431-I612 HydrophobicContact CB-CG2 3.54Å; M431-I612 HydrophobicContact CG-CB 4.48Å; M431-I612 HydrophobicContact CG-CD1 4.49Å; M431-I612 HydrophobicContact CG-CG2 3.79Å; I608-I612 HydrophobicContact CG2-CD1 3.86Å; I608-I612 HydrophobicContact CG2-CG1 4Å; I608-I612 PolarHBondContact O-N 2.94Å; I608-I612 VanDerWaalsContact O-N 3.17Å; I609-I612 PolarHBondContact O-N 3.33Å; I612-K614 PolarHBondContact O-N 3.29Å
613	L	81.3	Confident	67.8	Low	7 Å²	7	53.8 Å²	53.8	4%	0.037	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-20.6	176.3	-71.4	176.8	0	0	0	113.7	M431 R435 F440 V452 I609 Y611	M431-L613 HydrophobicContact CB-CD2 4.48Å; R435-L613 HydrophobicContact CB-CD2 4.29Å; R435-L613 WeakPolarHBondContact CD-O 3.44Å; R435-L613 PolarHBondContact NH1-O 3.37Å; F440-L613 HydrophobicContact CE1-CD2 4.49Å; V452-L613 HydrophobicContact CB-CD1 4.25Å; V452-L613 HydrophobicContact CG1-CD1 4.47Å; V452-L613 HydrophobicContact CG2-CD1 4.29Å; I609-L613 HydrophobicContact CG2-CD1 3.94Å; I609-L613 HydrophobicContact CG2-CG 4.41Å; I609-L613 WeakPolarHBondContact O-CG 3.38Å; I609-L613 PolarHBondContact O-N 3.21Å; Y611-L613 VanDerWaalsContact C-N 3.27Å; Y611-L613 PolarHBondContact O-N 3.42Å
614	K	77.8	Confident	66.2	Low	143 Å²	143	54.5 Å²	54.5	62%	0.622	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-32.5	178.1	-75.2	175	-179.1	-178.2	0	113.6	P610 Y611 I612	P610-K614 WeakPolarHBondContact O-CD 3.35Å; P610-K614 VanDerWaalsContact O-CG 3.27Å; P610-K614 WeakPolarHBondContact O-CG 3.25Å; Y611-K614 WeakPolarHBondContact O-CA 3.42Å; Y611-K614 WeakPolarHBondContact O-CB 3.44Å; Y611-K614 PolarHBondContact O-N 3.24Å; I612-K614 PolarHBondContact O-N 3.29Å
615	M	75.8	Confident	63.8	Low	36 Å²	36	57.6 Å²	57.6	18%	0.177	31%	0.312	C	S	.	.	S	Bend	trans	-56.4	145.8	-179.7	-72.5	-175.3	69.6	0	0	112.9	T309 V313 F428 R435 Y611	T309-M615 HydrophobicContact CG2-CE 3.83Å; V313-M615 HydrophobicContact CG2-SD 3.92Å; F428-M615 HydrophobicContact CE1-CE 4.4Å; F428-M615 HydrophobicContact CE1-SD 3.77Å; F428-M615 HydrophobicContact CZ-SD 4.01Å; R435-M615 VanDerWaalsContact CZ-O 3.24Å; R435-M615 PolarHBondContact NH1-O 3.49Å; R435-M615 PolarHBondContact NH2-O 3.01Å; Y611-M615 WeakPolarHBondContact O-CG 3.4Å; Y611-M615 PolarHBondContact O-N 2.63Å
616	E	60.2	Low	61.2	Low	131 Å²	131	60.8 Å²	60.8	61%	0.612	35%	0.345	S	S	*	.			trans	-80.9	139.7	179.2	-69.6	-160.4	173	0	0	111.4	A618 E619	E616-A618 PolarHBondContact O-N 2.88Å; E616-A618 VanDerWaalsContact O-N 3.14Å; E616-E619 HydrophobicContact CB-CG 4.21Å; E616-E619 PolarHBondContact N-OE2 3.07Å; E616-E619 WeakPolarHBondContact O-CB 3.38Å; E616-E619 PolarHBondContact O-N 3.32Å
617	T	54.5	Low	58.5	Low	57 Å²	57	61.9 Å²	61.9	35%	0.35	36%	0.363	S	S	.	.	H	α-helix	trans	-67.3	-16.4	180	-56.4	0	0	0	0	111.8	R435 N621	R435-T617 PolarHBondContact NH2-OG1 3Å; T617-N621 WeakPolarHBondContact O-CB 3.47Å; T617-N621 PolarHBondContact O-N 3.27Å
618	A	45.3	Very low	55.9	Low	67 Å²	67	65.4 Å²	65.4	55%	0.554	39%	0.387	S	S	*	.	H	α-helix	trans	-66.1	-39	168.7	0	0	0	0	0	112.8	E616 Y620 N621 G622	E616-A618 PolarHBondContact O-N 2.88Å; E616-A618 VanDerWaalsContact O-N 3.14Å; A618-Y620 VanDerWaalsContact C-N 3.33Å; A618-Y620 PolarHBondContact O-N 2.88Å; A618-N621 PolarHBondContact O-N 2.86Å; A618-G622 PolarHBondContact O-N 3.46Å
619	E	43.3	Very low	53.2	Low	97 Å²	97	76.5 Å²	76.5	45%	0.453	45%	0.445	S	S	.	.	H	α-helix	trans	-66.3	-37.7	178.9	-58.5	175.9	113.2	0	0	111.4	E616 Q623	E616-E619 HydrophobicContact CB-CG 4.21Å; E616-E619 PolarHBondContact N-OE2 3.07Å; E616-E619 WeakPolarHBondContact O-CB 3.38Å; E616-E619 PolarHBondContact O-N 3.32Å; E619-Q623 WeakPolarHBondContact O-CG 3.44Å
620	Y	43.3	Very low	51.6	Low	22 Å²	22	80.3 Å²	80.3	9%	0.086	47%	0.468	C	S	.	.	H	α-helix	trans	-68.5	-49	174.5	-177.9	-102.4	0	0	0	111.9	R425 F428 A618 Q623 I624	R425-Y620 PolarHBondContact O-OH 3.31Å; F428-Y620 HydrophobicContact CB-CD2 4.07Å; F428-Y620 HydrophobicContact CB-CE2 3.63Å; F428-Y620 HydrophobicContact CD1-CD2 4.07Å; F428-Y620 HydrophobicContact CD1-CE2 4.44Å; F428-Y620 HydrophobicContact CG-CD2 4.22Å; F428-Y620 HydrophobicContact CG-CE2 4.14Å; A618-Y620 VanDerWaalsContact C-N 3.33Å; A618-Y620 PolarHBondContact O-N 2.88Å; Y620-Q623 PolarHBondContact O-N 3.25Å; Y620-I624 HydrophobicContact CD1-CD1 4.05Å; Y620-I624 HydrophobicContact CE1-CD1 3.67Å
621	N	40.4	Very low	49.9	Very low	82 Å²	82	83.5 Å²	83.5	44%	0.439	49%	0.486	S	S	.	.	H	α-helix	trans	-71.2	-34.5	-178	-74.2	-17.1	0	0	0	113.2	T617 A618 Q623 I624 T625	T617-N621 WeakPolarHBondContact O-CB 3.47Å; T617-N621 PolarHBondContact O-N 3.27Å; A618-N621 PolarHBondContact O-N 2.86Å; N621-Q623 PolarHBondContact O-N 3.3Å; N621-I624 WeakPolarHBondContact O-CB 3.35Å; N621-I624 PolarHBondContact O-N 2.87Å; N621-T625 PolarHBondContact O-N 3.19Å
622	G	38.1	Very low	48.2	Very low	48 Å²	48	82.4 Å²	82.4	50%	0.495	49%	0.49	S	S	.	.	H	α-helix	trans	-63.3	-20.2	175	0	0	0	0	0	113.7	A618	A618-G622 PolarHBondContact O-N 3.46Å
623	Q	41.3	Very low	46.1	Very low	114 Å²	114	87.2 Å²	87.2	53%	0.533	52%	0.519	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-8	172.7	-66.3	173	13.7	0	0	113.1	T309 E619 Y620 N621	T309-Q623 PolarHBondContact OG1-OE1 2.91Å; E619-Q623 WeakPolarHBondContact O-CG 3.44Å; Y620-Q623 PolarHBondContact O-N 3.25Å; N621-Q623 PolarHBondContact O-N 3.3Å
624	I	40.7	Very low	43.9	Very low	65 Å²	65	92.3 Å²	92.3	33%	0.333	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-40.1	172.2	-64	173.7	0	0	0	110.3	T405 Y620 N621 G626	T405-I624 HydrophobicContact CG2-CG2 4.37Å; Y620-I624 HydrophobicContact CD1-CD1 4.05Å; Y620-I624 HydrophobicContact CE1-CD1 3.67Å; N621-I624 WeakPolarHBondContact O-CB 3.35Å; N621-I624 PolarHBondContact O-N 2.87Å; I624-G626 PolarHBondContact O-N 3.41Å
625	T	29.5	Very low	41.7	Very low	103 Å²	103	88.9 Å²	88.9	63%	0.632	54%	0.544	S	S	*	.			trans	-92.1	76.3	172.6	55.6	0	0	0	0	111.1	N621 A627	N621-T625 PolarHBondContact O-N 3.19Å; T625-A627 PolarHBondContact O-N 3.08Å
626	G	29.9	Very low	39.2	Very low	69 Å²	69	92.6 Å²	92.6	71%	0.711	57%	0.57	S	S	*	*			trans	-54.3	122.3	156.5	0	0	0	0	0	108.5	I624 S628	I624-G626 PolarHBondContact O-N 3.41Å; G626-S628 PolarHBondContact O-N 3.49Å
627	A	27.4	Very low	37.6	Very low	84 Å²	84	89.7 Å²	89.7	69%	0.694	57%	0.567	S	S	*	*			trans	-65.9	125.5	-163.4	0	0	0	0	0	112.6	T625 L629	T625-A627 PolarHBondContact O-N 3.08Å; A627-L629 PolarHBondContact O-N 3.46Å
628	S	29.6	Very low	36.2	Very low	125 Å²	125	92.4 Å²	92.4	87%	0.874	59%	0.585	S	S	*	*			trans	-83.1	86.7	154.7	-70.8	0	0	0	0	109	G626	G626-S628 PolarHBondContact O-N 3.49Å
629	L	25.8	Very low	35.4	Very low	233 Å²	233	94.7 Å²	94.7	100%	1.22	59%	0.588	S	S	*	*			trans	-137	0	164	-77.1	176.3	0	0	0	108.3	A627	A627-L629 PolarHBondContact O-N 3.46Å

Retrieved 629 of 629 residues in 100.8 ms (Link to these results)

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