A0A087Y1E4_POEFO Loading...

Nuclear receptor subfamily 2, group C, member 2

AlphaFold DB , UniProt , Accession A0A087Y1E4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 697 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	33.9	Very low	27	Very low	239 Å²	239	137.8 Å²	137.8	100%	1.177	76%	0.755	S	S	*	*				0	102.9	0	-69	153.1	-179.3	0	0	105.7
2	A	26.7	Very low	26.9	Very low	85 Å²	85	141.8 Å²	141.8	70%	0.702	76%	0.759	S	S	*	*				74	76.2	87.9	0	0	0	0	0	109.7
3	T	27.4	Very low	26.5	Very low	112 Å²	112	137.2 Å²	137.2	69%	0.687	74%	0.744	S	S	*	*				78.1	107.4	90.9	53.4	0	0	0	0	112.2
4	N	27.1	Very low	26.3	Very low	144 Å²	144	137.3 Å²	137.3	77%	0.77	74%	0.744	S	S	*	*				78.6	161.1	95.7	-63.9	-14.5	0	0	0	111.9
5	L	29.4	Very low	26.1	Very low	150 Å²	150	134.7 Å²	134.7	79%	0.785	74%	0.74	S	S	*	*			cis	-135.6	163.4	12	-83.8	86.5	0	0	0	107.8
6	T	28	Very low	25.9	Very low	106 Å²	106	137.3 Å²	137.3	65%	0.65	75%	0.746	S	S	*	*			cis	-161	142.1	-5.1	17.9	0	0	0	0	106.5
7	L	25.3	Very low	25.8	Very low	148 Å²	148	137.8 Å²	137.8	78%	0.775	74%	0.741	S	S	*	*				56.9	133.5	89.8	-100.9	74.3	0	0	0	113.8
8	L	25.1	Very low	25.7	Very low	137 Å²	137	139.6 Å²	139.6	72%	0.717	75%	0.745	S	S	*	*			cis	-142.1	152.4	15.9	-84.9	155.6	0	0	0	109.8
9	S	24	Very low	25.6	Very low	83 Å²	83	137 Å²	137	58%	0.58	75%	0.745	S	S	*	*				42.4	149.5	91.9	89.6	0	0	0	0	116.5
10	Q	26.6	Very low	25.4	Very low	150 Å²	150	140.3 Å²	140.3	70%	0.701	76%	0.755	S	S	*	*			cis	-164	156	26.5	-150.3	147.3	-38.3	0	0	115.3
11	Q	23.8	Very low	25.2	Very low	162 Å²	162	136.8 Å²	136.8	76%	0.757	75%	0.752	S	S	*	*			trans	8.3	158.8	152.6	-57.2	171.3	-74	0	0	124.5
12	K	25	Very low	24.7	Very low	186 Å²	186	131.2 Å²	131.2	81%	0.809	74%	0.737	S	S	*	*			trans	84	112.8	146.4	-140.6	167.2	-176.1	-173.9	0	115.4
13	S	22.6	Very low	24.3	Very low	81 Å²	81	133.3 Å²	133.3	57%	0.566	75%	0.745	S	S	*	*			cis	93.1	140.5	48.9	88.2	0	0	0	0	114.3
14	D	23.1	Very low	24.1	Very low	139 Å²	139	133 Å²	133	74%	0.743	75%	0.747	S	S	*	*			trans	67.9	160.5	168.8	-37.2	-52.8	0	0	0	115.6
15	S	24	Very low	24.7	Very low	98 Å²	98	131.5 Å²	131.5	69%	0.685	75%	0.745	S	S	*	*			cis	-169.8	135.7	-37.2	54.2	0	0	0	0	109.9
16	E	23	Very low	24.4	Very low	177 Å²	177	130.2 Å²	130.2	83%	0.827	75%	0.748	S	S	*	*			trans	58.8	144.3	149.9	-71.7	-177.2	151.8	0	0	124.2
17	H	24.5	Very low	24.3	Very low	145 Å²	145	132.6 Å²	132.6	67%	0.671	76%	0.757	S	S	*	*			trans	66.9	108.9	149	-85.6	-91.7	0	0	0	125.1
18	E	22.4	Very low	24.9	Very low	171 Å²	171	130.8 Å²	130.8	80%	0.799	76%	0.755	S	S	*	*				75.2	147.1	123.1	-81.6	-179.8	150.9	0	0	127.1
19	A	23.7	Very low	24.9	Very low	90 Å²	90	130.1 Å²	130.1	74%	0.744	76%	0.756	S	S	*	*			trans	88	115	148.5	0	0	0	0	0	122.9
20	E	22.3	Very low	25.1	Very low	202 Å²	202	134.9 Å²	134.9	94%	0.944	77%	0.771	S	S	*	*			trans	47.2	146.8	142.8	-53.8	-165.1	148.8	0	0	123.2
21	G	21.9	Very low	24.9	Very low	68 Å²	68	131.2 Å²	131.2	70%	0.701	77%	0.774	S	S	*	*			trans	151	32.8	154.2	0	0	0	0	0	125.4
22	S	22	Very low	25.2	Very low	122 Å²	122	132.8 Å²	132.8	85%	0.853	78%	0.781	S	S	*	*			trans	70.6	152.9	153.8	80.6	0	0	0	0	123
23	C	20.1	Very low	25.3	Very low	129 Å²	129	129 Å²	129	87%	0.872	78%	0.778	S	S	*	*			trans	65	130	158.8	-96.2	0	0	0	0	123.1
24	S	23.2	Very low	25.6	Very low	105 Å²	105	131.2 Å²	131.2	73%	0.734	79%	0.79	S	S	*	*			trans	-84.9	-178.6	172.4	54.4	0	0	0	0	112.6
25	P	38.7	Very low	25.8	Very low	113 Å²	113	132.2 Å²	132.2	73%	0.734	79%	0.791	S	S	*	*			cis	-141.8	159.8	10.6	41.8	-23.6	0	0	0	118.7
26	S	23.7	Very low	25.9	Very low	122 Å²	122	138.6 Å²	138.6	85%	0.853	80%	0.8	S	S	*	*			trans	-178.6	153.6	135.9	24.4	0	0	0	0	112.7
27	D	24.4	Very low	26.1	Very low	156 Å²	156	139.6 Å²	139.6	83%	0.834	80%	0.802	S	S	*	*			trans	-97.6	177.4	-176.5	-71.3	-65.9	0	0	0	112.9
28	P	38.1	Very low	26.1	Very low	111 Å²	111	143.5 Å²	143.5	72%	0.721	81%	0.811	S	S	*	*			cis	-135	-163.1	-40.3	34.4	-14.8	0	0	0	112.2
29	V	25.5	Very low	26.4	Very low	123 Å²	123	141.7 Å²	141.7	75%	0.745	81%	0.811	S	S	*	*			trans	136	112.3	142.5	172.6	0	0	0	0	115
30	M	27.8	Very low	26.6	Very low	182 Å²	182	144.1 Å²	144.1	90%	0.897	81%	0.81	S	S	*	*			trans	54.7	124.9	154.1	-61.5	-66.1	-76.9	0	0	121.4
31	G	23.1	Very low	26.8	Very low	74 Å²	74	139.7 Å²	139.7	76%	0.763	80%	0.802	S	S	*	*			trans	-151.2	168.6	167.3	0	0	0	0	0	111.9
32	E	31.2	Very low	27	Very low	194 Å²	194	140.8 Å²	140.8	91%	0.907	80%	0.804	S	S	*	*			trans	-87.3	152.7	-171.7	-56.2	177.4	112.8	0	0	114.2
33	S	26.7	Very low	27.2	Very low	107 Å²	107	143.8 Å²	143.8	75%	0.748	80%	0.804	S	S	*	*			trans	173.2	149.4	139.1	39	0	0	0	0	112.6
34	P	28.5	Very low	28.2	Very low	127 Å²	127	143.8 Å²	143.8	83%	0.825	80%	0.803	S	S	*	*			trans	-74.3	136.6	170.9	30.5	-33.4	0	0	0	111.3
35	Q	26.6	Very low	28.4	Very low	160 Å²	160	142.4 Å²	142.4	75%	0.748	80%	0.798	S	S	*	*			trans	-71.1	139.8	-164	-64.5	179.8	-21.5	0	0	114.2	D56	Q35-D56 PolarHBondContact NE2-OD2 3.44Å
36	R	27.4	Very low	28.4	Very low	232 Å²	232	144.2 Å²	144.2	88%	0.875	81%	0.807	S	S	*	*			trans	-134.2	138.3	176.5	-173.7	179.7	-173.9	172.7	3.2	109.6	R38	R36-R38 PolarHBondContact O-N 3.2Å
37	F	26.4	Very low	28.8	Very low	199 Å²	199	144.2 Å²	144.2	87%	0.873	80%	0.802	S	S	*	*			trans	-55.6	130.2	174.5	-63.6	-87	0	0	0	111.1
38	R	25.5	Very low	29.2	Very low	226 Å²	226	142.3 Å²	142.3	85%	0.853	80%	0.798	S	S	*	*			trans	-122.7	101.2	-180	-167.3	176.1	-169.7	171.5	3.3	110.1	R36	R36-R38 PolarHBondContact O-N 3.2Å
39	V	28.1	Very low	29	Very low	133 Å²	133	144.3 Å²	144.3	81%	0.806	80%	0.798	S	S	*	*			trans	-77.3	130.4	168.8	-178.6	0	0	0	0	108
40	I	27	Very low	29.3	Very low	142 Å²	142	144.9 Å²	144.9	73%	0.728	79%	0.792	S	S	*	*			trans	-108.8	120.7	173.6	-58.5	176.1	0	0	0	107.2
41	S	27	Very low	29.6	Very low	109 Å²	109	140.1 Å²	140.1	76%	0.762	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-96.4	131.3	168.5	-168	0	0	0	0	108.7
42	A	25.5	Very low	30	Very low	91 Å²	91	142.4 Å²	142.4	75%	0.752	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-92.8	149.5	168.9	0	0	0	0	0	110.2
43	E	27.9	Very low	30.1	Very low	185 Å²	185	137.6 Å²	137.6	86%	0.864	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-78.7	164.1	-179	-90.9	-170.5	169.9	0	0	113.5	A45	E43-A45 PolarHBondContact O-N 3.33Å
44	P	39.6	Very low	30.3	Very low	129 Å²	129	137.5 Å²	137.5	84%	0.838	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-87.1	117.7	-151.8	31.5	-35.3	0	0	0	115.3
45	A	29	Very low	30.5	Very low	76 Å²	76	136 Å²	136	63%	0.628	72%	0.723	S	S	*	*			trans	-139.9	87.1	165.6	0	0	0	0	0	112.4	E43 T47	E43-A45 PolarHBondContact O-N 3.33Å; A45-T47 PolarHBondContact O-N 3.07Å; A45-T47 PolarHBondContact O-OG1 3.16Å; A45-T47 VanDerWaalsContact O-OG1 3.1Å
46	T	37.8	Very low	30.7	Very low	151 Å²	151	133 Å²	133	93%	0.926	71%	0.712	S	S	*	*	S	Bend	trans	26	58.5	158.7	58.3	0	0	0	0	118.8
47	T	31	Very low	31.2	Very low	121 Å²	121	128.4 Å²	128.4	74%	0.742	70%	0.701	S	S	*	*	S	Bend	trans	-152.1	160.3	164.5	27.6	0	0	0	0	109.9	A45	A45-T47 PolarHBondContact O-N 3.07Å; A45-T47 PolarHBondContact O-OG1 3.16Å; A45-T47 VanDerWaalsContact O-OG1 3.1Å
48	P	34.4	Very low	31.6	Very low	116 Å²	116	127.5 Å²	127.5	75%	0.753	70%	0.699	S	S	*	*			trans	-64.6	136.5	-177.8	25.6	-34.6	0	0	0	112.4	Q50	P48-Q50 PolarHBondContact O-N 3.13Å
49	Q	33.2	Very low	32.5	Very low	154 Å²	154	122.2 Å²	122.2	72%	0.72	69%	0.692	S	S	*	*			trans	-67.1	121.4	-173.1	-69.6	178	-26.5	0	0	112.5
50	Q	32.8	Very low	32.8	Very low	134 Å²	134	119.5 Å²	119.5	63%	0.626	69%	0.692	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-106.1	121.7	176.7	-170.7	175.6	41.6	0	0	109.5	P48 Q64	P48-Q50 PolarHBondContact O-N 3.13Å; Q50-Q64 VanDerWaalsContact NE2-NE2 3.12Å
51	I	33.7	Very low	33.3	Very low	83 Å²	83	119.1 Å²	119.1	43%	0.426	69%	0.686	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.4	116.5	-179.4	-60.5	173.5	0	0	0	108.7	I53	I51-I53 HydrophobicContact CG2-CG1 4.27Å
52	Q	31	Very low	33.8	Very low	121 Å²	121	120 Å²	120	57%	0.565	68%	0.677	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-107.1	126.3	177.6	-168.3	169.1	43.5	0	0	110
53	I	32.3	Very low	34.4	Very low	93 Å²	93	119.7 Å²	119.7	48%	0.477	66%	0.661	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.4	126.7	176.8	-56.7	177.7	0	0	0	107.2	I51 I65	I51-I53 HydrophobicContact CG2-CG1 4.27Å; I53-I65 HydrophobicContact CD1-CD1 4.23Å
54	V	30.9	Very low	34.7	Very low	105 Å²	105	113.3 Å²	113.3	64%	0.636	63%	0.631	S	S	*	*			trans	-111.8	127.9	176.6	-177.9	0	0	0	0	108.3
55	T	33.4	Very low	34.5	Very low	95 Å²	95	109.4 Å²	109.4	58%	0.583	60%	0.603	S	S	*	*			trans	-105.1	124.9	178	49.6	0	0	0	0	110.9
56	D	30.7	Very low	34.8	Very low	98 Å²	98	109.3 Å²	109.3	52%	0.524	59%	0.594	S	S	.	*			trans	-84.8	139.2	162.3	-164	35.5	0	0	0	107.4	Q35	Q35-D56 PolarHBondContact NE2-OD2 3.44Å
57	Q	37.3	Very low	34.7	Very low	135 Å²	135	104.8 Å²	104.8	63%	0.631	57%	0.567	S	S	*	*	S	Bend	cis	-145.1	170.7	11.7	-160.7	160.2	99.8	0	0	111.3	T59	Q57-T59 PolarHBondContact O-N 3.49Å
58	Q	36.2	Very low	34.8	Very low	181 Å²	181	102.9 Å²	102.9	85%	0.846	56%	0.563	S	S	*	*	S	Bend	trans	78.3	-6.3	166	-53.9	-163.2	3.9	0	0	121.7
59	T	43.3	Very low	34.6	Very low	114 Å²	114	105.4 Å²	105.4	70%	0.699	57%	0.567	S	S	*	*	S	Bend	trans	-122	-9.2	173.7	59.1	0	0	0	0	116.4	Q57 Q61	Q57-T59 PolarHBondContact O-N 3.49Å; T59-Q61 PolarHBondContact O-N 2.81Å
60	G	35.9	Very low	34.5	Very low	77 Å²	77	104 Å²	104	79%	0.794	57%	0.565	S	S	*	*			trans	68.4	-6.8	169	0	0	0	0	0	117.6	K62	G60-K62 PolarHBondContact O-N 3.12Å
61	Q	36.7	Very low	34.5	Very low	133 Å²	133	104 Å²	104	62%	0.621	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-70.8	125.6	-178.7	-73	-173.8	-21.5	0	0	112.1	T59	T59-Q61 PolarHBondContact O-N 2.81Å
62	K	36.3	Very low	34.6	Very low	129 Å²	129	104.3 Å²	104.3	56%	0.561	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-91.9	117.4	170.3	-68	178.5	-179.2	176.3	0	109.6	G60 A84	G60-K62 PolarHBondContact O-N 3.12Å; K62-A84 HydrophobicContact CB-CB 4.19Å; K62-A84 WeakPolarHBondContact O-CB 3.39Å; K62-A84 PolarHBondContact O-N 3.48Å
63	I	38.9	Very low	34.7	Very low	83 Å²	83	103 Å²	103	43%	0.426	59%	0.59	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-92.6	135.8	172.8	-57.8	176	0	0	0	108.2	L81	I63-L81 HydrophobicContact CG2-CD2 4.36Å
64	Q	34.6	Very low	34.9	Very low	51 Å²	51	104.1 Å²	104.1	24%	0.238	61%	0.613	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.1	125.4	-178.8	-158.5	170.2	24.3	0	0	109.6	Q50 T82	Q50-Q64 VanDerWaalsContact NE2-NE2 3.12Å; Q64-T82 PolarHBondContact N-O 3.2Å; Q64-T82 PolarHBondContact O-N 3.36Å; Q64-T82 PolarHBondContact O-OG1 3.15Å
65	I	36	Very low	35.3	Very low	48 Å²	48	102.5 Å²	102.5	25%	0.246	61%	0.606	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-105.6	121.5	-178.7	-47.5	-172.9	0	0	0	108	I53 L81	I53-I65 HydrophobicContact CD1-CD1 4.23Å; I65-L81 HydrophobicContact CD1-CD2 4.08Å; I65-L81 HydrophobicContact CG1-CD2 3.97Å
66	V	33.9	Very low	35.4	Very low	73 Å²	73	105.4 Å²	105.4	44%	0.442	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-115.8	106.1	-178.1	-177.6	0	0	0	0	109.4	A68	V66-A68 PolarHBondContact O-N 3.4Å
67	T	35.5	Very low	35.7	Very low	57 Å²	57	108.3 Å²	108.3	35%	0.35	62%	0.621	S	S	.	*			trans	-83.2	90.4	-177.9	-36.4	0	0	0	0	110.5	M69	T67-M69 PolarHBondContact O-N 2.72Å; T67-M69 VanDerWaalsContact O-N 3.08Å
68	A	33.8	Very low	35.7	Very low	80 Å²	80	107.7 Å²	107.7	66%	0.661	62%	0.618	S	S	*	*			trans	-79.2	87.1	179.7	0	0	0	0	0	112.1	V66 N70	V66-A68 PolarHBondContact O-N 3.4Å; A68-N70 PolarHBondContact O-N 3.32Å
69	M	30.9	Very low	35.8	Very low	169 Å²	169	103.9 Å²	103.9	83%	0.833	60%	0.599	S	S	*	*			trans	-74	115.1	168.9	-71.7	-175.5	68.7	0	0	110.8	T67	T67-M69 PolarHBondContact O-N 2.72Å; T67-M69 VanDerWaalsContact O-N 3.08Å
70	N	30	Very low	35.6	Very low	126 Å²	126	101.6 Å²	101.6	67%	0.674	58%	0.582	S	S	*	*			trans	-95.6	115	172.1	-164.6	-4.2	0	0	0	109	A68 S72	A68-N70 PolarHBondContact O-N 3.32Å; N70-S72 PolarHBondContact O-N 3.3Å
71	P	33.7	Very low	35.6	Very low	132 Å²	132	101.1 Å²	101.1	86%	0.857	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	26.7	-162.2	31.7	-38.1	0	0	0	115.5
72	S	35.9	Very low	35.7	Very low	90 Å²	90	96.8 Å²	96.8	63%	0.629	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.4	24.6	-167.7	56.5	0	0	0	0	115.9	N70	N70-S72 PolarHBondContact O-N 3.3Å
73	S	31.9	Very low	35.9	Very low	95 Å²	95	93.7 Å²	93.7	66%	0.664	54%	0.536	S	S	*	.			trans	-169.3	124.8	151	34.7	0	0	0	0	112.7	S75	S73-S75 PolarHBondContact O-N 2.92Å
74	A	38.3	Very low	35.8	Very low	115 Å²	115	92 Å²	92	95%	0.95	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	60.7	-172.2	0	0	0	0	0	113.9
75	S	37.9	Very low	35.9	Very low	72 Å²	72	95.4 Å²	95.4	50%	0.503	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	-153.1	12.2	167.5	83.1	0	0	0	0	116.9	S73	S73-S75 PolarHBondContact O-N 2.92Å
76	K	36.3	Very low	36	Very low	155 Å²	155	99.7 Å²	99.7	67%	0.674	59%	0.588	S	S	*	*			trans	-133.5	102.9	-177.6	-67.3	-176.3	-179.1	174.5	0	113.4
77	Q	37.4	Very low	36.2	Very low	160 Å²	160	100.6 Å²	100.6	75%	0.748	60%	0.597	S	S	*	*			trans	-87	118.5	161.9	-69.5	-174.6	-8	0	0	109.2	F79	Q77-F79 HydrophobicContact CB-CE2 4.06Å; Q77-F79 HydrophobicContact CB-CZ 4.25Å
78	Q	36.7	Very low	36.4	Very low	122 Å²	122	102.1 Å²	102.1	57%	0.57	63%	0.625	S	S	*	*			trans	-116.9	127.8	171	-70.7	-174.9	-35.4	0	0	108.6
79	F	37.3	Very low	36.6	Very low	100 Å²	100	101.6 Å²	101.6	44%	0.439	62%	0.621	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.1	126.2	178.4	-60.7	-84.2	0	0	0	109.4	Q77 L94	Q77-F79 HydrophobicContact CB-CE2 4.06Å; Q77-F79 HydrophobicContact CB-CZ 4.25Å; F79-L94 HydrophobicContact CB-CB 4.37Å; F79-L94 HydrophobicContact CB-CD1 4.39Å; F79-L94 PolarHBondContact O-N 3.21Å
80	I	39.5	Very low	36.9	Very low	66 Å²	66	97 Å²	97	34%	0.338	61%	0.605	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-116.4	120.5	179.4	-55.8	177.5	0	0	0	107.8	T82	I80-T82 HydrophobicContact CG2-CG2 4.32Å
81	L	36.9	Very low	37.2	Very low	68 Å²	68	97.9 Å²	97.9	36%	0.356	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98	129.8	174.3	-71	166.6	0	0	0	109.7	I63 I65	I63-L81 HydrophobicContact CG2-CD2 4.36Å; I65-L81 HydrophobicContact CD1-CD2 4.08Å; I65-L81 HydrophobicContact CG1-CD2 3.97Å
82	T	38.7	Very low	37.4	Very low	41 Å²	41	94.1 Å²	94.1	25%	0.252	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.8	137.6	178.4	42	0	0	0	0	111.5	Q64 I80	Q64-T82 PolarHBondContact N-O 3.2Å; Q64-T82 PolarHBondContact O-N 3.36Å; Q64-T82 PolarHBondContact O-OG1 3.15Å; I80-T82 HydrophobicContact CG2-CG2 4.32Å
83	T	38.9	Very low	37.5	Very low	65 Å²	65	93.9 Å²	93.9	40%	0.399	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-73.6	145.7	164.9	44.9	0	0	0	0	109.9	D85	T83-D85 VanDerWaalsContact C-N 3.25Å; T83-D85 PolarHBondContact O-N 2.84Å
84	A	38.4	Very low	37.7	Very low	48 Å²	48	91.7 Å²	91.7	40%	0.397	55%	0.549	S	S	.	.	S	Bend	trans	-70.6	-15.5	-174.8	0	0	0	0	0	115	K62	K62-A84 HydrophobicContact CB-CB 4.19Å; K62-A84 WeakPolarHBondContact O-CB 3.39Å; K62-A84 PolarHBondContact O-N 3.48Å
85	D	35.1	Very low	37.8	Very low	122 Å²	122	88.6 Å²	88.6	65%	0.652	52%	0.523	S	S	*	.	S	Bend	trans	-87.2	134.2	-176.3	-54.3	-41.7	0	0	0	111.5	T83 S87	T83-D85 VanDerWaalsContact C-N 3.25Å; T83-D85 PolarHBondContact O-N 2.84Å; D85-S87 PolarHBondContact O-N 2.82Å
86	S	38.9	Very low	37.7	Very low	137 Å²	137	90.3 Å²	90.3	96%	0.958	54%	0.535	S	S	*	.	S	Bend	trans	-75.9	29.3	-168.2	51.3	0	0	0	0	115.9
87	S	38.2	Very low	37.5	Very low	92 Å²	92	85.5 Å²	85.5	64%	0.643	52%	0.52	S	S	*	.			trans	-94.4	123.4	169.8	-174	0	0	0	0	110.2	D85 A89	D85-S87 PolarHBondContact O-N 2.82Å; S87-A89 PolarHBondContact O-N 3.09Å
88	G	39.3	Very low	37.5	Very low	89 Å²	89	84.6 Å²	84.6	92%	0.918	52%	0.515	S	S	*	.	S	Bend	trans	-72.7	29.8	-165.6	0	0	0	0	0	117.5
89	A	38.9	Very low	37.3	Very low	70 Å²	70	83.7 Å²	83.7	58%	0.579	52%	0.518	S	S	*	.			trans	-120.7	37.8	-162.4	0	0	0	0	0	115.6	S87	S87-A89 PolarHBondContact O-N 3.09Å
90	S	36.3	Very low	37.3	Very low	72 Å²	72	88.6 Å²	88.6	50%	0.503	54%	0.542	S	S	.	.			trans	-161.8	123.6	156.8	-88.1	0	0	0	0	112.3
91	K	37.3	Very low	37.3	Very low	145 Å²	145	93.2 Å²	93.2	63%	0.63	57%	0.568	S	S	*	*			trans	-138.8	114.5	167.5	-70.4	-175.6	180	178.9	0	108.7
92	V	37.5	Very low	37.1	Very low	52 Å²	52	92.7 Å²	92.7	32%	0.315	57%	0.569	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-99.8	123.2	169.4	-178.7	0	0	0	0	107.5
93	I	38	Very low	36.8	Very low	85 Å²	85	99.9 Å²	99.9	44%	0.436	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.9	121.6	-179.9	-58.6	175.4	0	0	0	108
94	L	36.2	Very low	36.6	Very low	50 Å²	50	101.9 Å²	101.9	26%	0.262	60%	0.602	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.9	119.8	171	-72.3	166.3	0	0	0	109.4	F79 V105 F107	F79-L94 HydrophobicContact CB-CB 4.37Å; F79-L94 HydrophobicContact CB-CD1 4.39Å; F79-L94 PolarHBondContact O-N 3.21Å; L94-V105 HydrophobicContact CD2-CG1 3.97Å; L94-F107 HydrophobicContact CD2-CD1 4.31Å; L94-F107 HydrophobicContact CD2-CE1 3.97Å
95	A	39	Very low	36.3	Very low	50 Å²	50	104.2 Å²	104.2	41%	0.413	61%	0.611	S	S	.	*	B	Isolated β-bridge	trans	-129.9	128.9	176.6	0	0	0	0	0	110.4
96	S	35.9	Very low	36.3	Very low	107 Å²	107	103 Å²	103	75%	0.748	60%	0.604	S	S	*	*			trans	-94.8	129	170.5	-173.4	0	0	0	0	109.7
97	P	32	Very low	36	Very low	55 Å²	55	102.8 Å²	102.8	36%	0.357	59%	0.586	S	S	.	*			trans	-81.8	119.8	173.7	31	-30.8	0	0	0	111	T99	P97-T99 VanDerWaalsContact C-N 3.32Å; P97-T99 PolarHBondContact O-N 2.99Å
98	E	38.9	Very low	35.9	Very low	141 Å²	141	101.7 Å²	101.7	66%	0.659	58%	0.575	S	S	*	*			trans	-69.8	78.4	177	-66	178.7	113.2	0	0	112.2
99	T	32.1	Very low	35.8	Very low	102 Å²	102	101.2 Å²	101.2	63%	0.626	56%	0.563	S	S	*	*			trans	-139.2	143	161.5	55.9	0	0	0	0	110.9	P97 N101	P97-T99 VanDerWaalsContact C-N 3.32Å; P97-T99 PolarHBondContact O-N 2.99Å; T99-N101 PolarHBondContact O-N 3.33Å
100	H	38.1	Very low	35.5	Very low	204 Å²	204	101.3 Å²	101.3	94%	0.944	56%	0.563	S	S	*	*	S	Bend	trans	-74.1	8.5	-156.6	-129.6	-71.3	0	0	0	116.7
101	N	39.1	Very low	35.6	Very low	163 Å²	163	105.3 Å²	105.3	87%	0.872	58%	0.579	S	S	*	*	S	Bend	trans	-159.8	75.2	176.6	-144.9	-14.8	0	0	0	114	T99	T99-N101 PolarHBondContact O-N 3.33Å
102	S	31.8	Very low	35.5	Very low	56 Å²	56	103.9 Å²	103.9	39%	0.392	59%	0.588	S	S	.	*			trans	-152	119.1	169.1	58.3	0	0	0	0	114	Q104	S102-Q104 VanDerWaalsContact C-N 3.32Å; S102-Q104 PolarHBondContact O-N 2.73Å; S102-Q104 VanDerWaalsContact O-N 3.08Å
103	K	32.2	Very low	35.2	Very low	193 Å²	193	109.2 Å²	109.2	84%	0.839	61%	0.613	S	S	*	*			trans	-79.3	74.2	167.4	-66	-178.9	-179.7	178.8	0	110.2
104	Q	34.4	Very low	34.7	Very low	107 Å²	107	113.1 Å²	113.1	50%	0.5	63%	0.632	S	S	.	*			trans	-131.6	131.8	174.9	-81.3	-170.2	-16	0	0	112.3	S102	S102-Q104 VanDerWaalsContact C-N 3.32Å; S102-Q104 PolarHBondContact O-N 2.73Å; S102-Q104 VanDerWaalsContact O-N 3.08Å
105	V	33.4	Very low	34.4	Very low	96 Å²	96	117.3 Å²	117.3	58%	0.582	66%	0.662	S	S	*	*			trans	-120.4	128.4	167.5	-179.5	0	0	0	0	106.8	L94 F107	L94-V105 HydrophobicContact CD2-CG1 3.97Å; V105-F107 HydrophobicContact CB-CE2 4.17Å; V105-F107 HydrophobicContact CG1-CD2 4.31Å; V105-F107 HydrophobicContact CG1-CE1 4.45Å; V105-F107 HydrophobicContact CG1-CE2 3.7Å; V105-F107 HydrophobicContact CG1-CZ 3.78Å
106	I	34.8	Very low	33.8	Very low	97 Å²	97	117.9 Å²	117.9	50%	0.497	67%	0.673	S	S	.	*	B	Isolated β-bridge	trans	-101.6	131.5	-179.7	-58.8	175.1	0	0	0	108.3
107	F	32.6	Very low	33.4	Very low	133 Å²	133	122.2 Å²	122.2	58%	0.583	67%	0.673	S	S	*	*			trans	-114.4	131.8	175	-65.1	-88.8	0	0	0	109.6	L94 V105	L94-F107 HydrophobicContact CD2-CD1 4.31Å; L94-F107 HydrophobicContact CD2-CE1 3.97Å; V105-F107 HydrophobicContact CB-CE2 4.17Å; V105-F107 HydrophobicContact CG1-CD2 4.31Å; V105-F107 HydrophobicContact CG1-CE1 4.45Å; V105-F107 HydrophobicContact CG1-CE2 3.7Å; V105-F107 HydrophobicContact CG1-CZ 3.78Å
108	T	36.6	Very low	33.2	Very low	68 Å²	68	126.8 Å²	126.8	42%	0.417	69%	0.693	S	S	.	*			trans	-118.3	126	173.5	59.9	0	0	0	0	109.8
109	A	36.3	Very low	32.6	Very low	80 Å²	80	125.7 Å²	125.7	66%	0.661	69%	0.687	S	S	*	*			trans	-104.5	152.8	166.6	0	0	0	0	0	109.6
110	A	32.3	Very low	32.4	Very low	72 Å²	72	125.1 Å²	125.1	60%	0.595	68%	0.684	S	S	*	*			trans	-90.4	145.7	168.1	0	0	0	0	0	110	S112	A110-S112 PolarHBondContact O-N 2.79Å; A110-S112 VanDerWaalsContact O-N 3.11Å
111	D	38.1	Very low	31.7	Very low	155 Å²	155	121.1 Å²	121.1	83%	0.829	67%	0.665	S	S	*	*	S	Bend	trans	-65.7	107.8	-173.6	-63.6	-60.1	0	0	0	112.6
112	S	35.3	Very low	31	Very low	116 Å²	116	120.3 Å²	120.3	81%	0.811	66%	0.66	S	S	*	*			trans	-168.3	-14.5	167	-81.2	0	0	0	0	115.1	A110	A110-S112 PolarHBondContact O-N 2.79Å; A110-S112 VanDerWaalsContact O-N 3.11Å
113	L	32.5	Very low	30.6	Very low	164 Å²	164	126.3 Å²	126.3	86%	0.859	68%	0.679	S	S	*	*			trans	-84.9	128	-177	-83.3	157.4	0	0	0	112.6
114	M	27.1	Very low	30.3	Very low	167 Å²	167	125 Å²	125	82%	0.823	68%	0.676	S	S	*	*			trans	-57	153.3	169.1	-76.2	-71.6	-160.4	0	0	111.5	G116	M114-G116 VanDerWaalsContact C-N 3.34Å; M114-G116 PolarHBondContact O-N 3.45Å
115	P	30	Very low	29.9	Very low	138 Å²	138	130.2 Å²	130.2	90%	0.896	69%	0.693	S	S	*	*	S	Bend	trans	-72.7	80.3	-175	30.3	-36.4	0	0	0	112.9
116	G	26.8	Very low	29.6	Very low	62 Å²	62	132.4 Å²	132.4	64%	0.639	70%	0.7	S	S	*	*			trans	-144.3	123.7	175.2	0	0	0	0	0	112.2	M114	M114-G116 VanDerWaalsContact C-N 3.34Å; M114-G116 PolarHBondContact O-N 3.45Å
117	R	27.1	Very low	29.1	Very low	197 Å²	197	131.4 Å²	131.4	74%	0.743	70%	0.699	S	S	*	*			trans	16.7	95.9	172.2	-76.1	-175.8	171.7	163.1	-2.6	117.5	Q119	R117-Q119 PolarHBondContact O-N 3.19Å
118	I	28.3	Very low	29	Very low	152 Å²	152	130.3 Å²	130.3	78%	0.779	71%	0.706	S	S	*	*			trans	-77.5	104.1	146.5	-61.8	171.4	0	0	0	106.7	V120	I118-V120 HydrophobicContact CG2-CG2 3.9Å
119	Q	26.4	Very low	28.5	Very low	117 Å²	117	133.5 Å²	133.5	55%	0.547	73%	0.729	S	S	.	*			trans	-106.2	87.1	-175.9	-172.1	168.3	-27.1	0	0	110.9	R117 H121	R117-Q119 PolarHBondContact O-N 3.19Å; Q119-H121 PolarHBondContact NE2-NE2 2.72Å; Q119-H121 PolarHBondContact O-N 3.12Å
120	V	26.2	Very low	28.2	Very low	91 Å²	91	134.6 Å²	134.6	55%	0.552	73%	0.732	S	S	*	*			trans	-80.8	102.8	-179.5	-165.7	0	0	0	0	110.3	I118 L122	I118-V120 HydrophobicContact CG2-CG2 3.9Å; V120-L122 HydrophobicContact CG1-CD1 3.81Å; V120-L122 PolarHBondContact O-N 2.98Å; V120-L122 VanDerWaalsContact O-N 3.16Å
121	H	24.8	Very low	28.2	Very low	119 Å²	119	138.9 Å²	138.9	55%	0.551	74%	0.743	S	S	*	*			trans	-78	92	170.7	-80.2	-99.7	0	0	0	111	Q119 F123	Q119-H121 PolarHBondContact NE2-NE2 2.72Å; Q119-H121 PolarHBondContact O-N 3.12Å; H121-F123 HydrophobicContact CB-CD2 3.97Å; H121-F123 HydrophobicContact CB-CE2 3.65Å; H121-F123 HydrophobicContact CB-CZ 4.36Å; H121-F123 PolarHBondContact O-N 2.96Å; H121-F123 VanDerWaalsContact O-N 3.13Å
122	L	23.3	Very low	27.9	Very low	147 Å²	147	139.7 Å²	139.7	77%	0.77	74%	0.744	S	S	*	*			trans	-73.3	94.4	157.4	-93.5	82.1	0	0	0	108.6	V120 H124	V120-L122 HydrophobicContact CG1-CD1 3.81Å; V120-L122 PolarHBondContact O-N 2.98Å; V120-L122 VanDerWaalsContact O-N 3.16Å; L122-H124 PolarHBondContact O-N 3.04Å; L122-H124 VanDerWaalsContact O-N 3.14Å
123	F	24.7	Very low	27.7	Very low	181 Å²	181	141.7 Å²	141.7	79%	0.794	75%	0.745	S	S	*	*			trans	-67.5	107.4	167.2	-74.8	-86.1	0	0	0	109.7	H121	H121-F123 HydrophobicContact CB-CD2 3.97Å; H121-F123 HydrophobicContact CB-CE2 3.65Å; H121-F123 HydrophobicContact CB-CZ 4.36Å; H121-F123 PolarHBondContact O-N 2.96Å; H121-F123 VanDerWaalsContact O-N 3.13Å
124	H	25.1	Very low	27.6	Very low	167 Å²	167	145.1 Å²	145.1	77%	0.773	75%	0.746	S	S	*	*			trans	-69.2	134.1	154.6	-104.2	52.1	0	0	0	108.6	L122 I126	L122-H124 PolarHBondContact O-N 3.04Å; L122-H124 VanDerWaalsContact O-N 3.14Å; H124-I126 VanDerWaalsContact C-N 3.25Å; H124-I126 PolarHBondContact O-N 3.29Å
125	Y	25.5	Very low	27.9	Very low	215 Å²	215	145 Å²	145	84%	0.843	75%	0.75	S	S	*	*			trans	-78.4	76.8	-179.8	-167.5	-93.6	0	0	0	110.2
126	I	27.3	Very low	28.1	Very low	142 Å²	142	144.9 Å²	144.9	73%	0.728	74%	0.74	S	S	*	*			trans	-81.1	123.7	165.8	-59.4	174.5	0	0	0	106.7	H124	H124-I126 VanDerWaalsContact C-N 3.25Å; H124-I126 PolarHBondContact O-N 3.29Å
127	P	25.4	Very low	28.4	Very low	76 Å²	76	150.5 Å²	150.5	49%	0.494	76%	0.755	S	S	.	*			trans	-64.8	141.1	-179.7	26.5	-33.9	0	0	0	110.9	C129	P127-C129 PolarHBondContact O-N 3.31Å; P127-C129 VanDerWaalsContact O-N 3.11Å
128	P	30.1	Very low	29	Very low	111 Å²	111	145.2 Å²	145.2	72%	0.721	75%	0.753	S	S	*	*			trans	-76.2	104.8	-170.6	29.5	-35	0	0	0	112.4	S130	P128-S130 PolarHBondContact O-N 2.72Å
129	C	26.3	Very low	29.1	Very low	134 Å²	134	146.8 Å²	146.8	91%	0.905	76%	0.757	S	S	*	*			trans	-69.4	68.4	158.5	-77.9	0	0	0	0	110.5	P127 I131	P127-C129 PolarHBondContact O-N 3.31Å; P127-C129 VanDerWaalsContact O-N 3.11Å; C129-I131 PolarHBondContact O-N 3.38Å
130	S	29.1	Very low	29.8	Very low	104 Å²	104	146.7 Å²	146.7	73%	0.727	77%	0.766	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.9	103.6	-179.5	-174.2	0	0	0	0	110.8	P128	P128-S130 PolarHBondContact O-N 2.72Å
131	I	32.7	Very low	30.2	Very low	161 Å²	161	147.5 Å²	147.5	83%	0.826	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-165.8	-35.9	158.5	-107.5	152.5	0	0	0	111.9	C129 L133	C129-I131 PolarHBondContact O-N 3.38Å; I131-L133 PolarHBondContact O-N 3.32Å
132	M	31.1	Very low	30.8	Very low	172 Å²	172	149.7 Å²	149.7	85%	0.847	78%	0.775	S	S	*	*	S	Bend	trans	-98.6	29	-167.6	-98.9	-72.3	179.2	0	0	116
133	L	31.1	Very low	31.3	Very low	158 Å²	158	150.3 Å²	150.3	83%	0.827	77%	0.774	S	S	*	*			trans	-133.6	49.2	-174.8	-148.9	80.5	0	0	0	115.3	I131	I131-L133 PolarHBondContact O-N 3.32Å
134	R	31.6	Very low	31.8	Very low	236 Å²	236	144.1 Å²	144.1	89%	0.891	75%	0.753	S	S	*	*	S	Bend	trans	-122.7	-11.3	172.8	-89.9	-168.2	175.8	-148.2	-0.7	117.4
135	N	33.5	Very low	32.3	Very low	166 Å²	166	144 Å²	144	89%	0.888	75%	0.75	S	S	*	*	S	Bend	trans	-118.8	25.5	-172	-75.2	-7.9	0	0	0	115.1
136	L	34.3	Very low	32.6	Very low	134 Å²	134	139.7 Å²	139.7	70%	0.702	73%	0.733	S	S	*	*			trans	-124.8	35.7	-173.3	-111.4	163.5	0	0	0	114.3
137	L	33.8	Very low	32.7	Very low	180 Å²	180	136.5 Å²	136.5	94%	0.942	72%	0.723	S	S	*	*			trans	-113	34.4	177	-75.2	176.6	0	0	0	113.6
138	A	38.8	Very low	33.2	Very low	86 Å²	86	138.1 Å²	138.1	71%	0.711	72%	0.723	S	S	*	*	S	Bend	trans	-153.9	71	174.6	0	0	0	0	0	113
139	H	31.1	Very low	33.4	Very low	185 Å²	185	137.7 Å²	137.7	86%	0.856	71%	0.714	S	S	*	*	S	Bend	trans	171.9	164.8	145.7	-101.8	-78.1	0	0	0	110.5	L141	H139-L141 PolarHBondContact O-N 2.69Å; H139-L141 VanDerWaalsContact O-N 3.14Å
140	P	39.9	Very low	33.7	Very low	115 Å²	115	135.9 Å²	135.9	75%	0.747	70%	0.695	S	S	*	*			trans	-84.8	92.9	-160.7	32.9	-36.1	0	0	0	114.3
141	L	35.9	Very low	33.9	Very low	108 Å²	108	134.6 Å²	134.6	57%	0.565	68%	0.679	S	S	*	*			trans	-113.3	18.7	170.2	-66.2	176.7	0	0	0	113.7	H139 E143 C144	H139-L141 PolarHBondContact O-N 2.69Å; H139-L141 VanDerWaalsContact O-N 3.14Å; L141-E143 VanDerWaalsContact C-N 3.3Å; L141-E143 PolarHBondContact O-N 2.68Å; L141-C144 PolarHBondContact O-N 3.26Å
142	F	36.7	Very low	33.8	Very low	166 Å²	166	130.4 Å²	130.4	73%	0.728	66%	0.664	S	S	*	*	H	α-helix	trans	-65.7	-30.2	-174.7	-149.9	-96.6	0	0	0	113.4	F145 Y146	F142-F145 PolarHBondContact O-N 3.4Å; F142-Y146 HydrophobicContact CE1-CE2 4.35Å
143	E	34	Very low	33.9	Very low	159 Å²	159	127.6 Å²	127.6	74%	0.743	65%	0.652	S	S	*	*	H	α-helix	trans	-62.5	-42.3	173.4	-67.9	-74.4	116.5	0	0	112.3	L141 F145 Y146 C147	L141-E143 VanDerWaalsContact C-N 3.3Å; L141-E143 PolarHBondContact O-N 2.68Å; E143-F145 VanDerWaalsContact C-N 3.25Å; E143-F145 PolarHBondContact O-N 3.32Å; E143-Y146 PolarHBondContact O-N 2.84Å; E143-Y146 VanDerWaalsContact O-N 3.14Å; E143-C147 PolarHBondContact O-N 3.41Å
144	C	34.3	Very low	34	Very low	51 Å²	51	126 Å²	126	35%	0.345	65%	0.649	S	S	.	*	H	α-helix	trans	-62.6	-33	-178	-74.8	0	0	0	0	112.2	L141 Y146 C147 F148	L141-C144 PolarHBondContact O-N 3.26Å; C144-Y146 VanDerWaalsContact C-N 3.31Å; C144-Y146 PolarHBondContact O-N 3.1Å; C144-C147 PolarHBondContact O-N 2.95Å; C144-F148 PolarHBondContact O-N 2.93Å
145	F	35.3	Very low	33.9	Very low	164 Å²	164	121.4 Å²	121.4	72%	0.719	64%	0.641	S	S	*	*	H	α-helix	trans	-67	-32.5	178.9	-140.1	-84.7	0	0	0	112.3	F142 E143 L149	F142-F145 PolarHBondContact O-N 3.4Å; E143-F145 VanDerWaalsContact C-N 3.25Å; E143-F145 PolarHBondContact O-N 3.32Å; F145-L149 PolarHBondContact O-N 2.78Å
146	Y	32.5	Very low	33.8	Very low	125 Å²	125	117.3 Å²	117.3	49%	0.49	62%	0.624	S	S	.	*	H	α-helix	trans	-71	-35.9	173.1	-96.6	-87.6	0	0	0	112.3	F142 E143 C144 N150	F142-Y146 HydrophobicContact CE1-CE2 4.35Å; E143-Y146 PolarHBondContact O-N 2.84Å; E143-Y146 VanDerWaalsContact O-N 3.14Å; C144-Y146 VanDerWaalsContact C-N 3.31Å; C144-Y146 PolarHBondContact O-N 3.1Å; Y146-N150 PolarHBondContact O-N 3.13Å; Y146-N150 PolarHBondContact O-ND2 3.33Å
147	C	30.3	Very low	33.6	Very low	75 Å²	75	113.6 Å²	113.6	51%	0.507	62%	0.619	S	S	.	*	H	α-helix	trans	-66.6	-46	174.4	-63.1	0	0	0	0	111.6	E143 C144 L149 N150 I151	E143-C147 PolarHBondContact O-N 3.41Å; C144-C147 PolarHBondContact O-N 2.95Å; C147-L149 VanDerWaalsContact C-N 3.28Å; C147-L149 PolarHBondContact O-N 3.08Å; C147-N150 PolarHBondContact O-N 2.88Å; C147-I151 WeakPolarHBondContact O-CG1 3.28Å; C147-I151 PolarHBondContact O-N 3.34Å
148	F	35.7	Very low	33.5	Very low	111 Å²	111	111.5 Å²	111.5	49%	0.487	62%	0.616	S	S	.	*	H	α-helix	trans	-57.9	-38.4	177.6	-125.9	-85.9	0	0	0	113.1	C144 S152 P649	C144-F148 PolarHBondContact O-N 2.93Å; F148-S152 PolarHBondContact O-N 2.91Å; F148-S152 PolarHBondContact O-OG 2.95Å; F148-P649 HydrophobicContact CE1-CB 4.31Å; F148-P649 HydrophobicContact CE1-CG 4.39Å; F148-P649 HydrophobicContact CE2-CB 3.6Å; F148-P649 HydrophobicContact CZ-CB 3.41Å; F148-P649 VanDerWaalsContact CZ-CB 3.41Å; F148-P649 HydrophobicContact CZ-CG 3.88Å
149	L	33.9	Very low	32.9	Very low	102 Å²	102	115.2 Å²	115.2	53%	0.534	62%	0.616	S	S	.	*	H	α-helix	trans	-71.2	-39.4	178.2	-164.6	70.3	0	0	0	112.1	F145 C147 L153	F145-L149 PolarHBondContact O-N 2.78Å; C147-L149 VanDerWaalsContact C-N 3.28Å; C147-L149 PolarHBondContact O-N 3.08Å; L149-L153 HydrophobicContact CG-CD1 4.45Å; L149-L153 PolarHBondContact O-N 2.86Å
150	N	31.6	Very low	32.6	Very low	95 Å²	95	111 Å²	111	51%	0.508	60%	0.596	S	S	.	*	H	α-helix	trans	-67.5	-46.9	177	-81.6	-80.8	0	0	0	112.1	Y146 C147 S152 L153 T154	Y146-N150 PolarHBondContact O-N 3.13Å; Y146-N150 PolarHBondContact O-ND2 3.33Å; C147-N150 PolarHBondContact O-N 2.88Å; N150-S152 VanDerWaalsContact C-N 3.29Å; N150-S152 PolarHBondContact O-N 2.99Å; N150-L153 CarbonylContact O-C 3.6Å; N150-L153 WeakPolarHBondContact O-CA 3.2Å; N150-L153 WeakPolarHBondContact O-CB 3.33Å; N150-L153 PolarHBondContact O-N 3.15Å; N150-T154 PolarHBondContact O-N 3.38Å; N150-T154 PolarHBondContact O-OG1 2.9Å
151	I	33.4	Very low	32	Very low	78 Å²	78	113 Å²	113	40%	0.4	60%	0.599	S	S	.	*	H	α-helix	trans	-59.4	-40.9	-179.5	-66.4	166.6	0	0	0	111.3	C147 L153 T154 L155	C147-I151 WeakPolarHBondContact O-CG1 3.28Å; C147-I151 PolarHBondContact O-N 3.34Å; I151-L153 VanDerWaalsContact C-N 3.27Å; I151-L153 PolarHBondContact O-N 2.75Å; I151-T154 PolarHBondContact O-N 3.21Å; I151-L155 HydrophobicContact CG2-CD1 4.43Å; I151-L155 PolarHBondContact O-N 3.14Å
152	S	31.9	Very low	31.5	Very low	72 Å²	72	113.2 Å²	113.2	50%	0.503	60%	0.6	S	S	.	*	H	α-helix	trans	-68	-24.1	175.3	-54.4	0	0	0	0	113.6	F148 N150	F148-S152 PolarHBondContact O-N 2.91Å; F148-S152 PolarHBondContact O-OG 2.95Å; N150-S152 VanDerWaalsContact C-N 3.29Å; N150-S152 PolarHBondContact O-N 2.99Å
153	L	32.2	Very low	31	Very low	114 Å²	114	111.6 Å²	111.6	60%	0.597	60%	0.603	S	S	*	*	H	α-helix	trans	-84.2	-28.6	175.1	-93.6	158.9	0	0	0	112.7	L149 N150 I151 L155 C156	L149-L153 HydrophobicContact CG-CD1 4.45Å; L149-L153 PolarHBondContact O-N 2.86Å; N150-L153 CarbonylContact O-C 3.6Å; N150-L153 WeakPolarHBondContact O-CA 3.2Å; N150-L153 WeakPolarHBondContact O-CB 3.33Å; N150-L153 PolarHBondContact O-N 3.15Å; I151-L153 VanDerWaalsContact C-N 3.27Å; I151-L153 PolarHBondContact O-N 2.75Å; L153-L155 VanDerWaalsContact C-N 3.35Å; L153-C156 PolarHBondContact O-N 3.46Å; L153-C156 VanDerWaalsContact O-O 3.09Å
154	T	32.8	Very low	30.8	Very low	124 Å²	124	108.2 Å²	108.2	76%	0.761	59%	0.594	S	S	*	*	H	α-helix	trans	-67.7	-37.2	172.9	-55.1	0	0	0	0	111.4	N150 I151 C156	N150-T154 PolarHBondContact O-N 3.38Å; N150-T154 PolarHBondContact O-OG1 2.9Å; I151-T154 PolarHBondContact O-N 3.21Å; T154-C156 PolarHBondContact O-N 2.88Å
155	L	31	Very low	30.7	Very low	140 Å²	140	109.6 Å²	109.6	73%	0.733	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77	1.8	179.3	-70.9	166.3	0	0	0	114.7	I151 L153	I151-L155 HydrophobicContact CG2-CD1 4.43Å; I151-L155 PolarHBondContact O-N 3.14Å; L153-L155 VanDerWaalsContact C-N 3.35Å
156	C	31.2	Very low	30.6	Very low	79 Å²	79	106.3 Å²	106.3	53%	0.534	59%	0.592	S	S	.	*	S	Bend	trans	-138.5	113.5	-179.5	-168.5	0	0	0	0	111.5	L153 T154	L153-C156 PolarHBondContact O-N 3.46Å; L153-C156 VanDerWaalsContact O-O 3.09Å; T154-C156 PolarHBondContact O-N 2.88Å
157	G	29.5	Very low	30.9	Very low	57 Å²	57	104.4 Å²	104.4	59%	0.588	59%	0.594	S	S	*	*			trans	-56	154.2	-168.9	0	0	0	0	0	116	F159	G157-F159 PolarHBondContact O-N 3.24Å; G157-F159 VanDerWaalsContact O-N 3.14Å
158	P	31.6	Very low	31.3	Very low	135 Å²	135	102.6 Å²	102.6	88%	0.877	58%	0.582	S	S	*	*			trans	-70.7	109.6	-160.1	26.3	-36	0	0	0	114.6	K160	P158-K160 PolarHBondContact O-N 3.49Å
159	F	26.4	Very low	31.5	Very low	165 Å²	165	101.8 Å²	101.8	72%	0.724	58%	0.581	S	S	*	*			trans	-68.3	116.9	163.4	-86.7	-91.7	0	0	0	110.9	G157 L161	G157-F159 PolarHBondContact O-N 3.24Å; G157-F159 VanDerWaalsContact O-N 3.14Å; F159-L161 PolarHBondContact O-N 3.06Å
160	K	25.3	Very low	31.6	Very low	96 Å²	96	104.3 Å²	104.3	42%	0.417	59%	0.59	S	S	.	*			trans	-89.2	93.7	-170.7	-164.5	173.7	-167.3	170.9	0	112	P158 I162 D256	P158-K160 PolarHBondContact O-N 3.49Å; K160-I162 PolarHBondContact O-N 2.98Å; K160-D256 VanDerWaalsContact CE-CG 3.48Å; K160-D256 WeakPolarHBondContact CE-OD2 3.37Å; K160-D256 PolarHBondContact NZ-O 3.28Å; K160-D256 IonicContact NZ-OD1 3.2Å; K160-D256 PolarHBondContact NZ-OD1 3.15Å; K160-D256 IonicContact NZ-OD2 3.26Å; K160-D256 PolarHBondContact NZ-OD2 2.75Å; K160-D256 VanDerWaalsContact NZ-OD2 3.09Å
161	L	25.8	Very low	32.1	Very low	156 Å²	156	108.6 Å²	108.6	82%	0.817	60%	0.599	S	S	*	*			trans	-64.7	123.5	171	-174	68	0	0	0	110.2	F159	F159-L161 PolarHBondContact O-N 3.06Å
162	I	26.9	Very low	32.4	Very low	114 Å²	114	111.3 Å²	111.3	59%	0.585	61%	0.613	S	S	*	*			trans	-108.1	107.6	177.9	-57.6	178.9	0	0	0	108.8	K160 T164	K160-I162 PolarHBondContact O-N 2.98Å; I162-T164 HydrophobicContact CG2-CG2 4.05Å
163	V	25.3	Very low	32.7	Very low	132 Å²	132	115.1 Å²	115.1	80%	0.8	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-94.8	118.8	163.8	-177	0	0	0	0	107.8
164	T	30.3	Very low	33	Very low	88 Å²	88	112 Å²	112	54%	0.54	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-100.9	142.9	172.1	44.8	0	0	0	0	110.9	I162	I162-T164 HydrophobicContact CG2-CG2 4.05Å
165	D	31.3	Very low	33.3	Very low	79 Å²	79	115.3 Å²	115.3	42%	0.422	63%	0.629	S	S	.	*	P	Polyproline II helix	trans	-70.7	153.8	171.9	65	-77.8	0	0	0	112.1	V167 S168	D165-V167 VanDerWaalsContact C-N 3.26Å; D165-V167 PolarHBondContact O-N 3.38Å; D165-V167 WeakPolarHBondContact OD2-CA 3.47Å; D165-V167 WeakPolarHBondContact OD2-CB 3.47Å; D165-V167 PolarHBondContact OD2-N 3.37Å; D165-S168 VanDerWaalsContact CG-OG 3.31Å; D165-S168 WeakPolarHBondContact O-CB 3.21Å; D165-S168 PolarHBondContact O-N 3.23Å; D165-S168 WeakPolarHBondContact OD1-CB 3.49Å; D165-S168 PolarHBondContact OD1-OG 3.33Å; D165-S168 PolarHBondContact OD2-N 2.78Å; D165-S168 PolarHBondContact OD2-OG 2.8Å
166	P	34.6	Very low	33.6	Very low	95 Å²	95	114.6 Å²	114.6	62%	0.617	64%	0.636	S	S	*	*	H	α-helix	trans	-63.8	-27.3	-179.8	23.1	-33	0	0	0	113.8	S168 M169	P166-S168 PolarHBondContact O-N 3.12Å; P166-M169 WeakPolarHBondContact O-CB 3.28Å; P166-M169 PolarHBondContact O-N 2.84Å
167	V	38.1	Very low	34	Very low	85 Å²	85	114.4 Å²	114.4	52%	0.515	65%	0.648	S	S	.	*	H	α-helix	trans	-72.6	-17.9	179.6	-170.3	0	0	0	0	112.1	D165 R171	D165-V167 VanDerWaalsContact C-N 3.26Å; D165-V167 PolarHBondContact O-N 3.38Å; D165-V167 WeakPolarHBondContact OD2-CA 3.47Å; D165-V167 WeakPolarHBondContact OD2-CB 3.47Å; D165-V167 PolarHBondContact OD2-N 3.37Å; V167-R171 PolarHBondContact O-NH1 2.57Å
168	S	38.5	Very low	34.1	Very low	37 Å²	37	119.6 Å²	119.6	26%	0.259	66%	0.662	S	S	.	*	H	α-helix	trans	-78.8	-22.7	168.7	-69.3	0	0	0	0	113.1	D165 P166	D165-S168 VanDerWaalsContact CG-OG 3.31Å; D165-S168 WeakPolarHBondContact O-CB 3.21Å; D165-S168 PolarHBondContact O-N 3.23Å; D165-S168 WeakPolarHBondContact OD1-CB 3.49Å; D165-S168 PolarHBondContact OD1-OG 3.33Å; D165-S168 PolarHBondContact OD2-N 2.78Å; D165-S168 PolarHBondContact OD2-OG 2.8Å; P166-S168 PolarHBondContact O-N 3.12Å
169	M	39.9	Very low	34.9	Very low	95 Å²	95	120.8 Å²	120.8	47%	0.468	66%	0.66	S	S	.	*	H	α-helix	trans	-81.5	-38.8	-178.2	-86.7	-72.3	-73.5	0	0	114	P166 R171 L172	P166-M169 WeakPolarHBondContact O-CB 3.28Å; P166-M169 PolarHBondContact O-N 2.84Å; M169-R171 PolarHBondContact O-N 2.71Å; M169-R171 VanDerWaalsContact O-N 3.15Å; M169-L172 PolarHBondContact O-N 3Å; M169-L172 HydrophobicContact SD-CD1 4.22Å
170	E	36.2	Very low	35.8	Very low	154 Å²	154	118.8 Å²	118.8	72%	0.72	67%	0.666	S	S	*	*	H	α-helix	trans	-56.2	-34.8	178.2	-74.1	-171.3	118.4	0	0	112.6	L172 L173 G174	E170-L172 VanDerWaalsContact C-N 3.26Å; E170-L172 PolarHBondContact O-N 2.88Å; E170-L173 PolarHBondContact O-N 3.07Å; E170-G174 PolarHBondContact O-N 3.17Å
171	R	42.2	Very low	36.8	Very low	186 Å²	186	125.5 Å²	125.5	70%	0.702	69%	0.689	S	S	*	*	H	α-helix	trans	-71.6	-14.1	178.7	-68.1	-170.3	177.4	92	-6.3	114.6	V167 M169	V167-R171 PolarHBondContact O-NH1 2.57Å; M169-R171 PolarHBondContact O-N 2.71Å; M169-R171 VanDerWaalsContact O-N 3.15Å
172	L	39.9	Very low	38.1	Very low	134 Å²	134	123.7 Å²	123.7	70%	0.702	69%	0.689	S	S	*	*	H	α-helix	trans	-90.3	-15.1	178.5	-75	168.3	0	0	0	113.4	M169 E170	M169-L172 PolarHBondContact O-N 3Å; M169-L172 HydrophobicContact SD-CD1 4.22Å; E170-L172 VanDerWaalsContact C-N 3.26Å; E170-L172 PolarHBondContact O-N 2.88Å
173	L	37.5	Very low	39.6	Very low	152 Å²	152	126.8 Å²	126.8	80%	0.796	70%	0.701	S	S	*	*	H	α-helix	trans	-116.3	-7.3	-176.5	-62.9	174.2	0	0	0	113.8	E170	E170-L173 PolarHBondContact O-N 3.07Å
174	G	38.3	Very low	41.8	Very low	48 Å²	48	126.2 Å²	126.2	50%	0.495	70%	0.7	S	S	.	*			trans	-116.2	82.7	-174.6	0	0	0	0	0	115.3	E170	E170-G174 PolarHBondContact O-N 3.17Å
175	Q	39.7	Very low	44.2	Very low	194 Å²	194	125.6 Å²	125.6	91%	0.907	70%	0.697	S	S	*	*			trans	-160.5	88.2	155.6	-128	146.9	112.2	0	0	114.5
176	S	36.8	Very low	47.1	Very low	125 Å²	125	126.8 Å²	126.8	87%	0.874	70%	0.7	S	S	*	*			trans	-120.2	83.3	166.1	58.7	0	0	0	0	110.1
177	G	39.9	Very low	50.1	Low	76 Å²	76	129.5 Å²	129.5	78%	0.784	70%	0.699	S	S	*	*			trans	69.7	107.6	165.7	0	0	0	0	0	118
178	D	32.1	Very low	52.9	Low	166 Å²	166	125.6 Å²	125.6	89%	0.888	68%	0.675	S	S	*	*				-158.4	165	112.8	-153.8	-4.4	0	0	0	110.3
179	L	47.3	Very low	55.7	Low	160 Å²	160	126.5 Å²	126.5	84%	0.838	68%	0.679	S	S	*	*			trans	-97.5	161	-177.3	-82.7	155.5	0	0	0	112.9
180	S	46.7	Very low	58.5	Low	122 Å²	122	122 Å²	122	85%	0.853	66%	0.657	S	S	*	*			trans	62.5	75.2	165.8	-170.2	0	0	0	0	117.7
181	R	46.1	Very low	61.4	Low	238 Å²	238	114.9 Å²	114.9	90%	0.898	62%	0.624	S	S	*	*			trans	-129.5	141.4	149.7	-105.3	169.8	71.3	176.7	1.5	110.9	Q183	R181-Q183 PolarHBondContact O-N 3.37Å
182	S	51.9	Low	63.9	Low	117 Å²	117	108.3 Å²	108.3	82%	0.818	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-63.5	121.7	176.3	39.1	0	0	0	0	110.4
183	Q	58.3	Low	66.6	Low	179 Å²	179	103 Å²	103	84%	0.836	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-67.3	135.6	-178.1	-71.9	-169.5	-9.9	0	0	111.3	R181 V185	R181-Q183 PolarHBondContact O-N 3.37Å; Q183-V185 PolarHBondContact O-N 3.25Å
184	P	70.9	Confident	69.5	Low	120 Å²	120	102.5 Å²	102.5	78%	0.779	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-58	128.8	172.7	-24.1	34.3	0	0	0	111.5	E186	P184-E186 PolarHBondContact O-N 3.24Å; P184-E186 VanDerWaalsContact O-N 3.14Å
185	V	81.9	Confident	72.2	Confident	76 Å²	76	101 Å²	101	46%	0.461	56%	0.561	S	S	.	*			trans	-79.1	99.4	175.3	178.9	0	0	0	0	109.1	Q183 Y187 K194	Q183-V185 PolarHBondContact O-N 3.25Å; V185-Y187 HydrophobicContact CG1-CE2 4.35Å; V185-Y187 VanDerWaalsContact O-CD2 3.31Å; V185-Y187 WeakPolarHBondContact O-CD2 3.38Å; V185-Y187 VanDerWaalsContact O-CE2 3.26Å; V185-Y187 WeakPolarHBondContact O-CE2 3.34Å; V185-K194 HydrophobicContact CG1-CD 4.2Å; V185-K194 HydrophobicContact CG1-CG 4.05Å
186	E	92.4	Very high	74.9	Confident	104 Å²	104	94.3 Å²	94.3	49%	0.486	54%	0.536	S	S	.	.			trans	-69	149	172.7	-67.2	-168.3	157.6	0	0	112.3	P184 A195 V203	P184-E186 PolarHBondContact O-N 3.24Å; P184-E186 VanDerWaalsContact O-N 3.14Å; E186-A195 HydrophobicContact CB-CB 3.88Å; E186-A195 VanDerWaalsContact O-CB 3.29Å; E186-A195 WeakPolarHBondContact O-CB 3.46Å; E186-A195 PolarHBondContact O-N 2.79Å; E186-V203 HydrophobicContact CB-CG1 3.98Å; E186-V203 VanDerWaalsContact OE2-CG1 3.25Å; E186-V203 WeakPolarHBondContact OE2-CG1 3.35Å
187	Y	96.7	Very high	77.6	Confident	151 Å²	151	89.7 Å²	89.7	59%	0.592	51%	0.508	S	S	*	.	B	Isolated β-bridge	trans	-117.6	145.4	179.7	-68.7	-85.5	0	0	0	111.7	V185 V189 G192	V185-Y187 HydrophobicContact CG1-CE2 4.35Å; V185-Y187 VanDerWaalsContact O-CD2 3.31Å; V185-Y187 WeakPolarHBondContact O-CD2 3.38Å; V185-Y187 VanDerWaalsContact O-CE2 3.26Å; V185-Y187 WeakPolarHBondContact O-CE2 3.34Å; Y187-V189 PolarHBondContact O-N 3Å; Y187-G192 WeakPolarHBondContact CD1-O 3.22Å
188	C	97.9	Very high	80.2	Confident	3 Å²	3	94.1 Å²	94.1	2%	0.02	50%	0.501	C	S	.	.			trans	-69.3	113.4	-177.2	174.7	0	0	0	0	111.7	V190 C191 G192 D193 S204 C205	C188-V190 PolarHBondContact O-N 3.21Å; C188-C191 PolarHBondContact O-N 3.13Å; C188-C191 VanDerWaalsContact SG-SG 3.66Å; C188-G192 PolarHBondContact O-N 3.23Å; C188-D193 WeakPolarHBondContact CB-O 3.44Å; C188-D193 PolarHBondContact N-O 2.89Å; C188-S204 VanDerWaalsContact SG-CA 3.56Å; C188-C205 HydrophobicContact CB-CB 4Å; C188-C205 PolarHBondContact SG-N 3.48Å; C188-C205 VanDerWaalsContact SG-N 3.43Å; C188-C205 VanDerWaalsContact SG-SG 3.67Å
189	V	97.3	Very high	83.3	Confident	57 Å²	57	87.7 Å²	87.7	35%	0.345	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-23.6	-177.2	-58.1	0	0	0	0	114.2	Y187 A202 V203 M251	Y187-V189 PolarHBondContact O-N 3Å; V189-A202 HydrophobicContact CG2-CB 4.23Å; V189-V203 HydrophobicContact CG1-CB 4.43Å; V189-V203 WeakPolarHBondContact CG2-O 3.21Å; V189-V203 PolarHBondContact N-O 2.84Å; V189-V203 VanDerWaalsContact N-O 3.12Å; V189-M251 HydrophobicContact CB-CB 4.33Å; V189-M251 HydrophobicContact CB-CE 3.89Å; V189-M251 HydrophobicContact CG2-CB 3.59Å; V189-M251 HydrophobicContact CG2-CE 4.4Å; V189-M251 HydrophobicContact CG2-CG 4.24Å
190	V	97.9	Very high	85.6	Confident	0 Å²	0	82.2 Å²	82.2	0%	0	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-36.3	177.8	-176.5	0	0	0	0	112.6	C188 C208 I232 K247 M251 M253	C188-V190 PolarHBondContact O-N 3.21Å; V190-C208 HydrophobicContact CB-CB 4.38Å; V190-I232 HydrophobicContact CG1-CG2 4.27Å; V190-I232 WeakPolarHBondContact O-CG2 3.25Å; V190-K247 HydrophobicContact CG1-CB 4.38Å; V190-K247 HydrophobicContact CG1-CD 4.44Å; V190-K247 HydrophobicContact CG1-CG 4.3Å; V190-K247 VanDerWaalsContact O-CD 3.27Å; V190-K247 WeakPolarHBondContact O-CD 3.36Å; V190-K247 WeakPolarHBondContact O-CE 3.12Å; V190-K247 PolarHBondContact O-NZ 3.01Å; V190-M251 HydrophobicContact CG2-CB 4.36Å; V190-M253 HydrophobicContact CG2-CE 4.22Å; V190-M253 HydrophobicContact CG2-SD 4.44Å
191	C	97	Very high	87.8	Confident	4 Å²	4	78 Å²	78	3%	0.027	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	trans	-145.2	3.3	-167.9	70.8	0	0	0	0	117.2	C188 D193 C205 I232 N233 K234 R237	C188-C191 PolarHBondContact O-N 3.13Å; C188-C191 VanDerWaalsContact SG-SG 3.66Å; C191-D193 PolarHBondContact O-N 3.36Å; C191-D193 VanDerWaalsContact O-N 3.15Å; C191-C205 VanDerWaalsContact SG-SG 3.6Å; C191-I232 HydrophobicContact CB-CG2 4.07Å; C191-N233 CarbonylContact O-C 3.58Å; C191-N233 VanDerWaalsContact O-CA 3.23Å; C191-N233 WeakPolarHBondContact O-CA 3.3Å; C191-K234 PolarHBondContact O-N 3.19Å; C191-R237 HydrophobicContact CB-CB 4.36Å; C191-R237 PolarHBondContact SG-NH1 3.14Å
192	G	95.8	Very high	90.2	Very high	49 Å²	49	67 Å²	67	51%	0.505	37%	0.369	S	S	.	.	S	Bend	trans	70.3	2.4	178.2	0	0	0	0	0	115.7	Y187 C188	Y187-G192 WeakPolarHBondContact CD1-O 3.22Å; C188-G192 PolarHBondContact O-N 3.23Å
193	D	97	Very high	92.3	Very high	23 Å²	23	62.7 Å²	62.7	12%	0.123	34%	0.338	C	S	.	.	S	Bend	trans	-73.9	157.9	171	-160	6.6	0	0	0	110.9	C188 C191 A195 C205 K234 R237	C188-D193 WeakPolarHBondContact CB-O 3.44Å; C188-D193 PolarHBondContact N-O 2.89Å; C191-D193 PolarHBondContact O-N 3.36Å; C191-D193 VanDerWaalsContact O-N 3.15Å; D193-A195 PolarHBondContact O-N 3.42Å; D193-C205 HydrophobicContact CB-CB 4.29Å; D193-K234 HydrophobicContact CB-CB 4.22Å; D193-K234 HydrophobicContact CB-CD 4.24Å; D193-K234 HydrophobicContact CB-CG 4.11Å; D193-K234 WeakPolarHBondContact OD1-CD 3.3Å; D193-K234 WeakPolarHBondContact OD1-CE 3.48Å; D193-K234 IonicContact OD1-NZ 2.72Å; D193-K234 PolarHBondContact OD1-NZ 3.5Å; D193-R237 IonicContact OD2-CZ 3.73Å; D193-R237 IonicContact OD2-NH1 3.9Å; D193-R237 PolarHBondContact OD2-NH1 3.06Å; D193-R237 IonicContact OD2-NH2 2.79Å; D193-R237 PolarHBondContact OD2-NH2 3.35Å
194	K	96.8	Very high	94.2	Very high	140 Å²	140	54.1 Å²	54.1	61%	0.609	30%	0.298	S	S	*	.	B	Isolated β-bridge	trans	-56.1	129.6	-177.5	-176.6	172.9	178.1	177.5	0	110.5	V185 C205	V185-K194 HydrophobicContact CG1-CD 4.2Å; V185-K194 HydrophobicContact CG1-CG 4.05Å; K194-C205 WeakPolarHBondContact O-CB 3.44Å
195	A	96.8	Very high	95.5	Very high	17 Å²	17	48.7 Å²	48.7	14%	0.14	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-73.2	155.9	179	0	0	0	0	0	111.6	E186 D193 V203	E186-A195 HydrophobicContact CB-CB 3.88Å; E186-A195 VanDerWaalsContact O-CB 3.29Å; E186-A195 WeakPolarHBondContact O-CB 3.46Å; E186-A195 PolarHBondContact O-N 2.79Å; D193-A195 PolarHBondContact O-N 3.42Å; A195-V203 HydrophobicContact CB-CG1 3.71Å
196	S	95.4	Very high	96.2	Very high	54 Å²	54	49.7 Å²	49.7	38%	0.378	26%	0.263	S	S	.	.			trans	-116.6	20.8	175.3	43.2	0	0	0	0	111.1	H199 S204 C205 E206	S196-H199 PolarHBondContact O-NE2 2.9Å; S196-H199 PolarHBondContact OG-NE2 3.01Å; S196-S204 PolarHBondContact N-O 3.41Å; S196-S204 PolarHBondContact OG-O 3.32Å; S196-C205 WeakPolarHBondContact OG-CA 3.48Å; S196-E206 WeakPolarHBondContact CB-OE1 3.29Å; S196-E206 PolarHBondContact OG-N 3.45Å; S196-E206 VanDerWaalsContact OG-N 3.13Å; S196-E206 PolarHBondContact OG-OE1 2.83Å; S196-E206 VanDerWaalsContact OG-OE1 3.1Å
197	G	92.9	Very high	96.5	Very high	28 Å²	28	46.3 Å²	46.3	29%	0.289	26%	0.255	S	S	.	.	S	Bend	trans	99.3	-166.6	-170.4	0	0	0	0	0	113.7	S204	G197-S204 PolarHBondContact O-N 2.86Å
198	R	95.4	Very high	96.6	Very high	169 Å²	169	39.1 Å²	39.1	64%	0.638	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.6	120.8	-178.1	-170.6	-176.4	-70.9	-113.5	16.7	110.6	G201	R198-G201 VanDerWaalsContact CD-O 3.31Å; R198-G201 WeakPolarHBondContact CD-O 3.47Å; R198-G201 VanDerWaalsContact CG-C 3.5Å; R198-G201 WeakPolarHBondContact CG-O 3.33Å; R198-G201 PolarHBondContact NH1-O 3.47Å
199	H	96.4	Very high	96.5	Very high	31 Å²	31	41.5 Å²	41.5	14%	0.144	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	132.9	177.8	-57.3	-68.2	0	0	0	110.4	S196 G201 A202 S204 E206 K209	S196-H199 PolarHBondContact O-NE2 2.9Å; S196-H199 PolarHBondContact OG-NE2 3.01Å; H199-G201 PolarHBondContact O-N 2.92Å; H199-A202 PolarHBondContact N-O 3.48Å; H199-A202 PolarHBondContact O-N 3.34Å; H199-S204 PolarHBondContact CD2-O 2.88Å; H199-S204 PolarHBondContact CD2-OG 3.14Å; H199-E206 IonicContact CE1-OE1 2.73Å; H199-E206 IonicContact NE2-OE1 2.64Å; H199-E206 PolarHBondContact NE2-OE1 3.27Å; H199-K209 HydrophobicContact CB-CB 4.01Å; H199-K209 HydrophobicContact CB-CD 4.4Å; H199-K209 HydrophobicContact CB-CG 3.85Å; H199-K209 VanDerWaalsContact CE1-CE 3.44Å; H199-K209 WeakPolarHBondContact CE1-CE 3.47Å; H199-K209 PolarHBondContact CE1-NZ 3.41Å; H199-K209 VanDerWaalsContact ND1-CE 3.29Å; H199-K209 WeakPolarHBondContact ND1-CE 3.11Å
200	Y	96.4	Very high	96.5	Very high	45 Å²	45	39.6 Å²	39.6	18%	0.176	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	26.5	-179.7	-48.4	-62.2	0	0	0	114.5	K209 F212 K213 M253 K254 S257 V258	Y200-K209 HydrophobicContact CE2-CB 4.48Å; Y200-K209 HydrophobicContact CE2-CG 3.83Å; Y200-F212 AromaticContact CD2-CD1 3.64Å; Y200-F212 HydrophobicContact CD2-CD1 3.64Å; Y200-F212 HydrophobicContact CD2-CE1 4.36Å; Y200-F212 HydrophobicContact CE2-CD1 4.3Å; Y200-F212 AromaticContact CG-CD1 3.9Å; Y200-F212 HydrophobicContact CG-CD1 3.9Å; Y200-F212 HydrophobicContact CG-CE1 4.16Å; Y200-K213 HydrophobicContact CE2-CB 4.23Å; Y200-K213 WeakPolarHBondContact OH-CD 3.23Å; Y200-K213 WeakPolarHBondContact OH-CG 3.37Å; Y200-M253 CarbonylContact O-C 3.48Å; Y200-M253 WeakPolarHBondContact O-CA 3.41Å; Y200-K254 PolarHBondContact O-N 2.93Å; Y200-S257 WeakPolarHBondContact CD1-O 3.29Å; Y200-S257 WeakPolarHBondContact CE1-O 3.49Å; Y200-V258 HydrophobicContact CD1-CG2 3.76Å; Y200-V258 HydrophobicContact CE1-CB 4.44Å; Y200-V258 HydrophobicContact CE1-CG2 3.81Å; Y200-V258 HydrophobicContact CG-CG2 4.23Å
201	G	92.8	Very high	96.5	Very high	34 Å²	34	40.1 Å²	40.1	35%	0.351	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.3	-23.9	-176.2	0	0	0	0	0	115.2	R198 H199	R198-G201 VanDerWaalsContact CD-O 3.31Å; R198-G201 WeakPolarHBondContact CD-O 3.47Å; R198-G201 VanDerWaalsContact CG-C 3.5Å; R198-G201 WeakPolarHBondContact CG-O 3.33Å; R198-G201 PolarHBondContact NH1-O 3.47Å; H199-G201 PolarHBondContact O-N 2.92Å
202	A	95.8	Very high	96.6	Very high	5 Å²	5	39.9 Å²	39.9	4%	0.041	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.7	-169.5	0	0	0	0	0	114.7	V189 H199 S204 M251 M253	V189-A202 HydrophobicContact CG2-CB 4.23Å; H199-A202 PolarHBondContact N-O 3.48Å; H199-A202 PolarHBondContact O-N 3.34Å; A202-S204 PolarHBondContact O-N 3.04Å; A202-S204 PolarHBondContact O-OG 3.28Å; A202-M251 VanDerWaalsContact CB-O 3.27Å; A202-M251 WeakPolarHBondContact CB-O 3.43Å; A202-M253 HydrophobicContact CB-CE 4.37Å; A202-M253 HydrophobicContact CB-CG 3.73Å
203	V	97.1	Very high	96.6	Very high	27 Å²	27	41.5 Å²	41.5	16%	0.164	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	113.7	176.7	174.2	0	0	0	0	110.3	E186 V189 A195	E186-V203 HydrophobicContact CB-CG1 3.98Å; E186-V203 VanDerWaalsContact OE2-CG1 3.25Å; E186-V203 WeakPolarHBondContact OE2-CG1 3.35Å; V189-V203 HydrophobicContact CG1-CB 4.43Å; V189-V203 WeakPolarHBondContact CG2-O 3.21Å; V189-V203 PolarHBondContact N-O 2.84Å; V189-V203 VanDerWaalsContact N-O 3.12Å; A195-V203 HydrophobicContact CB-CG1 3.71Å
204	S	97.6	Very high	96.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.244	C	C	.	.			trans	-154.9	162.1	-166.1	55.2	0	0	0	0	115.4	C188 S196 G197 H199 A202 M253	C188-S204 VanDerWaalsContact SG-CA 3.56Å; S196-S204 PolarHBondContact N-O 3.41Å; S196-S204 PolarHBondContact OG-O 3.32Å; G197-S204 PolarHBondContact O-N 2.86Å; H199-S204 PolarHBondContact CD2-O 2.88Å; H199-S204 PolarHBondContact CD2-OG 3.14Å; A202-S204 PolarHBondContact O-N 3.04Å; A202-S204 PolarHBondContact O-OG 3.28Å; S204-M253 WeakPolarHBondContact OG-CE 3.37Å
205	C	98	Very high	96.5	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.034	22%	0.217	C	C	.	.			trans	-87.1	154.8	174.3	65	0	0	0	0	111.1	C188 C191 D193 K194 S196 G207 C208 K209 R237	C188-C205 HydrophobicContact CB-CB 4Å; C188-C205 PolarHBondContact SG-N 3.48Å; C188-C205 VanDerWaalsContact SG-N 3.43Å; C188-C205 VanDerWaalsContact SG-SG 3.67Å; C191-C205 VanDerWaalsContact SG-SG 3.6Å; D193-C205 HydrophobicContact CB-CB 4.29Å; K194-C205 WeakPolarHBondContact O-CB 3.44Å; S196-C205 WeakPolarHBondContact OG-CA 3.48Å; C205-G207 PolarHBondContact O-N 3.31Å; C205-G207 VanDerWaalsContact O-N 3.08Å; C205-C208 PolarHBondContact O-N 3.14Å; C205-K209 PolarHBondContact O-N 3.45Å; C205-R237 PolarHBondContact SG-NH1 3.15Å
206	E	97.8	Very high	96.4	Very high	98 Å²	98	42.2 Å²	42.2	46%	0.458	22%	0.222	S	C	.	.	H	α-helix	trans	-49.1	-35.7	173.8	-66.2	-58.9	120	0	0	113	S196 H199 C208 K209 G210	S196-E206 WeakPolarHBondContact CB-OE1 3.29Å; S196-E206 PolarHBondContact OG-N 3.45Å; S196-E206 VanDerWaalsContact OG-N 3.13Å; S196-E206 PolarHBondContact OG-OE1 2.83Å; S196-E206 VanDerWaalsContact OG-OE1 3.1Å; H199-E206 IonicContact CE1-OE1 2.73Å; H199-E206 IonicContact NE2-OE1 2.64Å; H199-E206 PolarHBondContact NE2-OE1 3.27Å; E206-C208 PolarHBondContact O-N 3.35Å; E206-K209 VanDerWaalsContact OE1-CD 3.28Å; E206-K209 WeakPolarHBondContact OE1-CD 3.4Å; E206-K209 IonicContact OE1-NZ 3.88Å; E206-K209 PolarHBondContact OE1-NZ 3.43Å; E206-K209 WeakPolarHBondContact OE2-CD 3.16Å; E206-K209 WeakPolarHBondContact OE2-CE 3.42Å; E206-K209 IonicContact OE2-NZ 2.73Å; E206-K209 PolarHBondContact OE2-NZ 2.8Å; E206-G210 PolarHBondContact O-N 3.24Å
207	G	97.6	Very high	96.2	Very high	32 Å²	32	43.3 Å²	43.3	33%	0.33	22%	0.218	S	C	.	.	H	α-helix	trans	-64.4	-32	177.3	0	0	0	0	0	114.5	C205 F211 R244	C205-G207 PolarHBondContact O-N 3.31Å; C205-G207 VanDerWaalsContact O-N 3.08Å; G207-F211 WeakPolarHBondContact O-CB 3.48Å; G207-R244 PolarHBondContact O-NH2 2.9Å
208	C	98.2	Very high	96	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-89.5	-38.7	175.7	-74.6	0	0	0	0	112	V190 C205 E206 F211 F212 M253	V190-C208 HydrophobicContact CB-CB 4.38Å; C205-C208 PolarHBondContact O-N 3.14Å; E206-C208 PolarHBondContact O-N 3.35Å; C208-F211 PolarHBondContact O-N 3.23Å; C208-F212 WeakPolarHBondContact O-CB 3.14Å; C208-F212 PolarHBondContact O-N 2.98Å; C208-M253 HydrophobicContact CB-CE 4.38Å
209	K	97.7	Very high	95.6	Very high	53 Å²	53	48.3 Å²	48.3	23%	0.23	24%	0.243	C	C	.	.	H	α-helix	trans	-50.8	-56.3	168.4	173	-159.2	-168	179.9	0	111.6	H199 Y200 C205 E206 F211 F212 K213	H199-K209 HydrophobicContact CB-CB 4.01Å; H199-K209 HydrophobicContact CB-CD 4.4Å; H199-K209 HydrophobicContact CB-CG 3.85Å; H199-K209 VanDerWaalsContact CE1-CE 3.44Å; H199-K209 WeakPolarHBondContact CE1-CE 3.47Å; H199-K209 PolarHBondContact CE1-NZ 3.41Å; H199-K209 VanDerWaalsContact ND1-CE 3.29Å; H199-K209 WeakPolarHBondContact ND1-CE 3.11Å; Y200-K209 HydrophobicContact CE2-CB 4.48Å; Y200-K209 HydrophobicContact CE2-CG 3.83Å; C205-K209 PolarHBondContact O-N 3.45Å; E206-K209 VanDerWaalsContact OE1-CD 3.28Å; E206-K209 WeakPolarHBondContact OE1-CD 3.4Å; E206-K209 IonicContact OE1-NZ 3.88Å; E206-K209 PolarHBondContact OE1-NZ 3.43Å; E206-K209 WeakPolarHBondContact OE2-CD 3.16Å; E206-K209 WeakPolarHBondContact OE2-CE 3.42Å; E206-K209 IonicContact OE2-NZ 2.73Å; E206-K209 PolarHBondContact OE2-NZ 2.8Å; K209-F211 VanDerWaalsContact C-N 3.33Å; K209-F211 PolarHBondContact O-N 3Å; K209-F212 PolarHBondContact O-N 2.81Å; K209-K213 WeakPolarHBondContact O-CB 3.36Å; K209-K213 PolarHBondContact O-N 2.8Å
210	G	97	Very high	95.3	Very high	17 Å²	17	50.1 Å²	50.1	18%	0.175	25%	0.253	C	S	.	.	H	α-helix	trans	-66.6	-31.1	-178.6	0	0	0	0	0	114	E206 R214	E206-G210 PolarHBondContact O-N 3.24Å; G210-R214 WeakPolarHBondContact O-CG 3.15Å; G210-R214 PolarHBondContact O-N 3.24Å; G210-R214 PolarHBondContact O-NH1 2.79Å
211	F	98.2	Very high	95	Very high	11 Å²	11	54.1 Å²	54.1	5%	0.048	28%	0.282	C	S	.	.	H	α-helix	trans	-68.2	-49.3	172.7	169.5	-96.1	0	0	0	111.8	G207 C208 K209 R214 S215 Y222 Q241 R244 L245	G207-F211 WeakPolarHBondContact O-CB 3.48Å; C208-F211 PolarHBondContact O-N 3.23Å; K209-F211 VanDerWaalsContact C-N 3.33Å; K209-F211 PolarHBondContact O-N 3Å; F211-R214 PolarHBondContact O-N 2.96Å; F211-S215 PolarHBondContact O-N 3.23Å; F211-S215 PolarHBondContact O-OG 3.01Å; F211-Y222 HydrophobicContact CE2-CE2 4.03Å; F211-Y222 HydrophobicContact CZ-CD2 4.42Å; F211-Y222 AromaticContact CZ-CE2 3.67Å; F211-Y222 HydrophobicContact CZ-CE2 3.67Å; F211-Q241 HydrophobicContact CE2-CB 4.16Å; F211-Q241 HydrophobicContact CE2-CG 4.11Å; F211-Q241 HydrophobicContact CZ-CB 4.25Å; F211-Q241 WeakPolarHBondContact CZ-O 3.43Å; F211-R244 VanDerWaalsContact CD1-CD 3.45Å; F211-R244 HydrophobicContact CD1-CG 3.86Å; F211-R244 HydrophobicContact CE1-CB 3.97Å; F211-R244 HydrophobicContact CE1-CG 3.69Å; F211-R244 HydrophobicContact CZ-CB 4.13Å; F211-R244 HydrophobicContact CZ-CG 4.21Å; F211-L245 HydrophobicContact CE1-CB 3.9Å; F211-L245 HydrophobicContact CE1-CD1 4.24Å; F211-L245 HydrophobicContact CZ-CB 4.07Å
212	F	97.8	Very high	95.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61.3	-46.8	177.9	-171.1	-102.1	0	0	0	111	Y200 C208 K209 R214 S215 V216 L245 C248 L249 M253 K254 T255 V258	Y200-F212 AromaticContact CD2-CD1 3.64Å; Y200-F212 HydrophobicContact CD2-CD1 3.64Å; Y200-F212 HydrophobicContact CD2-CE1 4.36Å; Y200-F212 HydrophobicContact CE2-CD1 4.3Å; Y200-F212 AromaticContact CG-CD1 3.9Å; Y200-F212 HydrophobicContact CG-CD1 3.9Å; Y200-F212 HydrophobicContact CG-CE1 4.16Å; C208-F212 WeakPolarHBondContact O-CB 3.14Å; C208-F212 PolarHBondContact O-N 2.98Å; K209-F212 PolarHBondContact O-N 2.81Å; F212-R214 VanDerWaalsContact C-N 3.29Å; F212-R214 PolarHBondContact O-N 3.4Å; F212-S215 PolarHBondContact O-N 3.46Å; F212-S215 VanDerWaalsContact O-N 3.13Å; F212-V216 HydrophobicContact CD1-CG2 4.2Å; F212-V216 HydrophobicContact CD2-CG2 4.4Å; F212-V216 HydrophobicContact CE1-CG2 3.88Å; F212-V216 HydrophobicContact CE2-CG2 4.11Å; F212-V216 HydrophobicContact CG-CG2 4.46Å; F212-V216 HydrophobicContact CZ-CG2 3.84Å; F212-V216 WeakPolarHBondContact O-CG2 3.29Å; F212-V216 PolarHBondContact O-N 2.82Å; F212-L245 HydrophobicContact CD2-CD1 3.86Å; F212-L245 HydrophobicContact CE2-CD1 4.15Å; F212-C248 HydrophobicContact CD2-CB 3.56Å; F212-C248 HydrophobicContact CE2-CB 4.07Å; F212-C248 HydrophobicContact CG-CB 4.46Å; F212-L249 HydrophobicContact CE2-CD2 3.8Å; F212-L249 HydrophobicContact CE2-CG 4.27Å; F212-L249 HydrophobicContact CZ-CD2 4.14Å; F212-M253 HydrophobicContact CB-SD 3.91Å; F212-M253 HydrophobicContact CD1-CB 4.12Å; F212-M253 HydrophobicContact CD1-SD 4.37Å; F212-M253 HydrophobicContact CD2-CB 3.98Å; F212-M253 HydrophobicContact CD2-SD 4.1Å; F212-M253 HydrophobicContact CE1-CB 3.85Å; F212-M253 HydrophobicContact CE2-CB 3.7Å; F212-M253 HydrophobicContact CG-CB 4.18Å; F212-M253 HydrophobicContact CG-SD 3.87Å; F212-M253 HydrophobicContact CZ-CB 3.63Å; F212-M253 WeakPolarHBondContact CZ-O 3.27Å; F212-K254 WeakPolarHBondContact CE1-O 3.33Å; F212-T255 HydrophobicContact CZ-CG2 4.05Å; F212-V258 HydrophobicContact CD1-CG2 3.92Å; F212-V258 HydrophobicContact CE1-CG2 3.75Å
213	K	96.1	Very high	95	Very high	83 Å²	83	59.1 Å²	59.1	36%	0.361	31%	0.306	S	S	.	.	H	α-helix	trans	-52.2	-43.7	177.1	-165.9	-173.2	81.2	154.5	0	113	Y200 K209 R217 V258	Y200-K213 HydrophobicContact CE2-CB 4.23Å; Y200-K213 WeakPolarHBondContact OH-CD 3.23Å; Y200-K213 WeakPolarHBondContact OH-CG 3.37Å; K209-K213 WeakPolarHBondContact O-CB 3.36Å; K209-K213 PolarHBondContact O-N 2.8Å; K213-R217 WeakPolarHBondContact O-CB 3.27Å; K213-R217 WeakPolarHBondContact O-CG 3.46Å; K213-R217 PolarHBondContact O-N 2.76Å; K213-V258 HydrophobicContact CG-CG1 4.17Å
214	R	96.3	Very high	94.9	Very high	150 Å²	150	59.2 Å²	59.2	57%	0.566	31%	0.308	S	S	*	.	H	α-helix	trans	-74.4	-40.4	178.7	-72.7	-172	-59.9	-94.3	1.7	112.7	G210 F211 F212 V216 K218	G210-R214 WeakPolarHBondContact O-CG 3.15Å; G210-R214 PolarHBondContact O-N 3.24Å; G210-R214 PolarHBondContact O-NH1 2.79Å; F211-R214 PolarHBondContact O-N 2.96Å; F212-R214 VanDerWaalsContact C-N 3.29Å; F212-R214 PolarHBondContact O-N 3.4Å; R214-V216 VanDerWaalsContact C-N 3.34Å; R214-V216 PolarHBondContact O-N 2.81Å; R214-K218 PolarHBondContact O-N 3.18Å
215	S	96.1	Very high	94.7	Very high	4 Å²	4	71.5 Å²	71.5	3%	0.028	35%	0.354	C	S	.	.	H	α-helix	trans	-62.7	-42.5	-179.1	-52.3	0	0	0	0	111.2	F211 F212 N219 L220 Y222	F211-S215 PolarHBondContact O-N 3.23Å; F211-S215 PolarHBondContact O-OG 3.01Å; F212-S215 PolarHBondContact O-N 3.46Å; F212-S215 VanDerWaalsContact O-N 3.13Å; S215-N219 PolarHBondContact O-N 2.87Å; S215-L220 PolarHBondContact O-N 3.35Å; S215-Y222 PolarHBondContact OG-OH 2.88Å
216	V	94.5	Very high	94.5	Very high	41 Å²	41	74.7 Å²	74.7	25%	0.248	38%	0.377	C	S	.	.	H	α-helix	trans	-73.5	-46.2	178.2	-179.6	0	0	0	0	112	F212 R214 K218 N219 T255 V258	F212-V216 HydrophobicContact CD1-CG2 4.2Å; F212-V216 HydrophobicContact CD2-CG2 4.4Å; F212-V216 HydrophobicContact CE1-CG2 3.88Å; F212-V216 HydrophobicContact CE2-CG2 4.11Å; F212-V216 HydrophobicContact CG-CG2 4.46Å; F212-V216 HydrophobicContact CZ-CG2 3.84Å; F212-V216 WeakPolarHBondContact O-CG2 3.29Å; F212-V216 PolarHBondContact O-N 2.82Å; R214-V216 VanDerWaalsContact C-N 3.34Å; R214-V216 PolarHBondContact O-N 2.81Å; V216-K218 VanDerWaalsContact C-N 3.29Å; V216-K218 PolarHBondContact O-N 3.43Å; V216-N219 PolarHBondContact O-N 3.47Å; V216-T255 HydrophobicContact CG1-CG2 4.4Å; V216-T255 HydrophobicContact CG2-CG2 3.88Å; V216-V258 HydrophobicContact CB-CB 4.22Å; V216-V258 HydrophobicContact CB-CG1 4.21Å; V216-V258 HydrophobicContact CB-CG2 4.04Å; V216-V258 HydrophobicContact CG1-CB 3.9Å; V216-V258 HydrophobicContact CG1-CG1 4.21Å; V216-V258 HydrophobicContact CG1-CG2 4.08Å; V216-V258 HydrophobicContact CG2-CG2 4.21Å
217	R	89.9	Confident	94.2	Very high	77 Å²	77	78.7 Å²	78.7	29%	0.291	39%	0.392	S	S	.	.	H	α-helix	trans	-57.9	-35.5	-179.1	-93.6	174.5	163.4	55.4	8	115	K213 V258 Q259 S260 E261	K213-R217 WeakPolarHBondContact O-CB 3.27Å; K213-R217 WeakPolarHBondContact O-CG 3.46Å; K213-R217 PolarHBondContact O-N 2.76Å; R217-V258 HydrophobicContact CG-CG1 4.16Å; R217-Q259 PolarHBondContact NH1-O 2.97Å; R217-Q259 PolarHBondContact NH2-O 3.43Å; R217-S260 VanDerWaalsContact NH2-C 3.3Å; R217-S260 PolarHBondContact NH2-O 3.44Å; R217-E261 VanDerWaalsContact CD-OE1 3.28Å; R217-E261 WeakPolarHBondContact CD-OE1 3.22Å; R217-E261 IonicContact CZ-OE1 2.69Å; R217-E261 IonicContact NE-OE1 3.72Å; R217-E261 PolarHBondContact NE-OE1 3.36Å; R217-E261 IonicContact NH2-OE1 3.19Å
218	K	88.7	Confident	94	Very high	158 Å²	158	81.2 Å²	81.2	69%	0.687	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	18.9	-177.9	-78.3	-175.9	161.6	-79.4	0	112.3	R214 V216 L220	R214-K218 PolarHBondContact O-N 3.18Å; V216-K218 VanDerWaalsContact C-N 3.29Å; V216-K218 PolarHBondContact O-N 3.43Å; K218-L220 HydrophobicContact CB-CD1 4.08Å; K218-L220 HydrophobicContact CB-CD2 3.9Å; K218-L220 HydrophobicContact CB-CG 3.67Å; K218-L220 WeakPolarHBondContact O-CD2 3.31Å; K218-L220 WeakPolarHBondContact O-CG 3.26Å; K218-L220 PolarHBondContact O-N 3.1Å
219	N	87.3	Confident	93.8	Very high	144 Å²	144	86 Å²	86	77%	0.77	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.3	42.1	-178.2	-158.2	24.3	0	0	0	114.6	S215 V216 T221	S215-N219 PolarHBondContact O-N 2.87Å; V216-N219 PolarHBondContact O-N 3.47Å; N219-T221 PolarHBondContact O-N 3.06Å; N219-T221 VanDerWaalsContact O-N 3.07Å
220	L	90.1	Very high	93.7	Very high	68 Å²	68	85.2 Å²	85.2	36%	0.356	42%	0.422	S	S	.	.			trans	-78.1	101.3	-164	-66	176.5	0	0	0	112.3	S215 K218 Y222	S215-L220 PolarHBondContact O-N 3.35Å; K218-L220 HydrophobicContact CB-CD1 4.08Å; K218-L220 HydrophobicContact CB-CD2 3.9Å; K218-L220 HydrophobicContact CB-CG 3.67Å; K218-L220 WeakPolarHBondContact O-CD2 3.31Å; K218-L220 WeakPolarHBondContact O-CG 3.26Å; K218-L220 PolarHBondContact O-N 3.1Å; L220-Y222 HydrophobicContact CB-CE1 3.91Å; L220-Y222 HydrophobicContact CB-CE2 4.46Å; L220-Y222 HydrophobicContact CD1-CE1 4.4Å
221	T	89.8	Confident	93.6	Very high	129 Å²	129	89.4 Å²	89.4	79%	0.791	44%	0.444	S	S	*	.			trans	-64.2	137.3	163.7	-62.1	0	0	0	0	110.5	N219	N219-T221 PolarHBondContact O-N 3.06Å; N219-T221 VanDerWaalsContact O-N 3.07Å
222	Y	94.9	Very high	93.5	Very high	38 Å²	38	89.4 Å²	89.4	15%	0.149	44%	0.444	C	S	.	.			trans	-128.7	145.9	176.5	-58.9	-54.4	0	0	0	110.1	F211 S215 L220 Q241 F242 L245	F211-Y222 HydrophobicContact CE2-CE2 4.03Å; F211-Y222 HydrophobicContact CZ-CD2 4.42Å; F211-Y222 AromaticContact CZ-CE2 3.67Å; F211-Y222 HydrophobicContact CZ-CE2 3.67Å; S215-Y222 PolarHBondContact OG-OH 2.88Å; L220-Y222 HydrophobicContact CB-CE1 3.91Å; L220-Y222 HydrophobicContact CB-CE2 4.46Å; L220-Y222 HydrophobicContact CD1-CE1 4.4Å; Y222-Q241 HydrophobicContact CD1-CB 3.81Å; Y222-Q241 HydrophobicContact CD2-CB 3.77Å; Y222-Q241 HydrophobicContact CE1-CB 4.01Å; Y222-Q241 HydrophobicContact CE1-CG 4.45Å; Y222-Q241 HydrophobicContact CE2-CB 3.98Å; Y222-Q241 HydrophobicContact CG-CB 3.69Å; Y222-F242 WeakPolarHBondContact O-CD2 3.49Å; Y222-L245 HydrophobicContact CD2-CB 4.14Å; Y222-L245 HydrophobicContact CD2-CD2 3.82Å; Y222-L245 HydrophobicContact CE2-CB 4.29Å; Y222-L245 HydrophobicContact CE2-CD2 3.89Å
223	S	93.8	Very high	93.5	Very high	107 Å²	107	91.9 Å²	91.9	75%	0.748	46%	0.458	S	S	*	.			trans	-107.4	143	173.6	-57.1	0	0	0	0	111.4
224	C	96.1	Very high	93.4	Very high	28 Å²	28	92.9 Å²	92.9	19%	0.189	46%	0.462	C	S	.	.			trans	-86.1	137.5	171.9	-162.6	0	0	0	0	110.7	S226 Q228 F242 C243	C224-S226 VanDerWaalsContact C-N 3.26Å; C224-S226 PolarHBondContact O-N 2.83Å; C224-S226 PolarHBondContact SG-O 2.94Å; C224-S226 VanDerWaalsContact SG-O 3.4Å; C224-Q228 HydrophobicContact CB-CG 3.95Å; C224-F242 HydrophobicContact CB-CB 4.32Å; C224-F242 HydrophobicContact CB-CD1 3.78Å; C224-F242 HydrophobicContact CB-CE1 4.46Å; C224-F242 HydrophobicContact CB-CG 4.21Å; C224-C243 VanDerWaalsContact SG-SG 3.61Å
225	R	93.8	Very high	93.3	Very high	259 Å²	259	93.3 Å²	93.3	98%	0.977	47%	0.47	S	S	*	.	S	Bend	trans	-92	24.4	173.1	-56.5	-175.4	-175.7	-174.5	-0.2	112.7
226	S	92.5	Very high	93.2	Very high	72 Å²	72	97 Å²	97	50%	0.503	49%	0.486	S	S	.	.	S	Bend	trans	-162.8	-170.9	-176.8	-168.9	0	0	0	0	109.3	C224 Q228	C224-S226 VanDerWaalsContact C-N 3.26Å; C224-S226 PolarHBondContact O-N 2.83Å; C224-S226 PolarHBondContact SG-O 2.94Å; C224-S226 VanDerWaalsContact SG-O 3.4Å; S226-Q228 PolarHBondContact O-N 3.07Å
227	K	91.6	Very high	93.2	Very high	181 Å²	181	96.9 Å²	96.9	79%	0.787	48%	0.482	S	S	*	.	S	Bend	trans	-67.9	29.1	-176.1	-57.6	-176.6	178.9	-176.6	0	115.5	D229	K227-D229 PolarHBondContact O-N 3.02Å
228	Q	92.9	Very high	93.5	Very high	86 Å²	86	99.1 Å²	99.1	40%	0.402	50%	0.499	S	S	.	.	S	Bend	trans	58.5	6.9	-179.8	-65	-165.6	9.8	0	0	116.2	C224 S226 F242 C243 R246	C224-Q228 HydrophobicContact CB-CG 3.95Å; S226-Q228 PolarHBondContact O-N 3.07Å; Q228-F242 HydrophobicContact CB-CD1 4.41Å; Q228-F242 HydrophobicContact CB-CE1 3.75Å; Q228-F242 VanDerWaalsContact CD-CE1 3.41Å; Q228-F242 HydrophobicContact CG-CD1 4.19Å; Q228-F242 HydrophobicContact CG-CE1 3.52Å; Q228-F242 HydrophobicContact CG-CZ 4.14Å; Q228-C243 PolarHBondContact O-SG 2.96Å; Q228-R246 PolarHBondContact O-NH2 2.99Å
229	D	94.4	Very high	93.8	Very high	99 Å²	99	102.1 Å²	102.1	53%	0.529	51%	0.506	S	S	.	.			trans	-99.9	-7.1	-167.6	59.1	-9.5	0	0	0	114.3	K227 V231	K227-D229 PolarHBondContact O-N 3.02Å; D229-V231 PolarHBondContact O-N 3.05Å
230	C	95.8	Very high	94.3	Very high	37 Å²	37	95.9 Å²	95.9	25%	0.25	47%	0.474	C	S	.	.			trans	-48.1	122	-168.3	-48	0	0	0	0	114	C240 C243	C230-C240 HydrophobicContact CB-CB 4.01Å; C230-C243 HydrophobicContact CB-CB 4.01Å
231	V	94.6	Very high	94.7	Very high	106 Å²	106	97.6 Å²	97.6	64%	0.642	48%	0.48	S	S	*	.			trans	-60.6	134.9	-178.3	-178.5	0	0	0	0	111.4	D229 H236	D229-V231 PolarHBondContact O-N 3.05Å; V231-H236 PolarHBondContact O-CE1 3.17Å; V231-H236 PolarHBondContact O-ND1 3.17Å
232	I	97.4	Very high	95.1	Very high	10 Å²	10	93.7 Å²	93.7	5%	0.051	45%	0.452	C	S	.	.			trans	-115.8	110	-178.5	-56	-60	0	0	0	109.9	V190 C191 R237 C243 R244 K247	V190-I232 HydrophobicContact CG1-CG2 4.27Å; V190-I232 WeakPolarHBondContact O-CG2 3.25Å; C191-I232 HydrophobicContact CB-CG2 4.07Å; I232-R237 HydrophobicContact CG2-CB 3.89Å; I232-C243 HydrophobicContact CD1-CB 4.07Å; I232-C243 HydrophobicContact CG1-CB 4.39Å; I232-R244 HydrophobicContact CD1-CB 4.04Å; I232-R244 HydrophobicContact CG2-CG 4.35Å; I232-K247 HydrophobicContact CB-CD 3.9Å; I232-K247 HydrophobicContact CG1-CD 4.25Å; I232-K247 HydrophobicContact CG2-CD 4.4Å; I232-K247 PolarHBondContact O-NZ 3.48Å
233	N	95.9	Very high	95.2	Very high	53 Å²	53	92.2 Å²	92.2	28%	0.283	45%	0.447	S	S	.	.			trans	-133.1	-179.5	173.7	70.8	15.6	0	0	0	111.4	C191 H235 H236 R237	C191-N233 CarbonylContact O-C 3.58Å; C191-N233 VanDerWaalsContact O-CA 3.23Å; C191-N233 WeakPolarHBondContact O-CA 3.3Å; N233-H235 VanDerWaalsContact C-N 3.27Å; N233-H235 PolarHBondContact O-N 2.96Å; N233-H235 PolarHBondContact OD1-N 3.28Å; N233-H235 VanDerWaalsContact OD1-N 3.12Å; N233-H236 PolarHBondContact ND2-CD2 3.25Å; N233-H236 PolarHBondContact ND2-CE1 3.35Å; N233-H236 PolarHBondContact ND2-NE2 3.46Å; N233-H236 PolarHBondContact OD1-CD2 2.84Å; N233-H236 VanDerWaalsContact OD1-CD2 3.24Å; N233-H236 PolarHBondContact OD1-N 3.16Å; N233-H236 PolarHBondContact OD1-NE2 3.28Å; N233-R237 WeakPolarHBondContact O-CB 3.47Å; N233-R237 WeakPolarHBondContact O-CG 3.3Å; N233-R237 PolarHBondContact O-N 2.9Å
234	K	95.6	Very high	95.4	Very high	103 Å²	103	87.7 Å²	87.7	45%	0.448	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-41.2	-177.9	179.5	171.2	-178.1	145.2	0	114.1	C191 D193 R237	C191-K234 PolarHBondContact O-N 3.19Å; D193-K234 HydrophobicContact CB-CB 4.22Å; D193-K234 HydrophobicContact CB-CD 4.24Å; D193-K234 HydrophobicContact CB-CG 4.11Å; D193-K234 WeakPolarHBondContact OD1-CD 3.3Å; D193-K234 WeakPolarHBondContact OD1-CE 3.48Å; D193-K234 IonicContact OD1-NZ 2.72Å; D193-K234 PolarHBondContact OD1-NZ 3.5Å; K234-R237 PolarHBondContact O-NE 3.43Å
235	H	93.9	Very high	95.5	Very high	160 Å²	160	87.9 Å²	87.9	74%	0.741	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-50.1	-171.5	-60.2	-89.5	0	0	0	112.1	N233	N233-H235 VanDerWaalsContact C-N 3.27Å; N233-H235 PolarHBondContact O-N 2.96Å; N233-H235 PolarHBondContact OD1-N 3.28Å; N233-H235 VanDerWaalsContact OD1-N 3.12Å
236	H	92.8	Very high	95.6	Very high	80 Å²	80	81.1 Å²	81.1	37%	0.37	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	16.5	-175.7	56.2	77.7	0	0	0	115.4	V231 N233 N238 R239	V231-H236 PolarHBondContact O-CE1 3.17Å; V231-H236 PolarHBondContact O-ND1 3.17Å; N233-H236 PolarHBondContact ND2-CD2 3.25Å; N233-H236 PolarHBondContact ND2-CE1 3.35Å; N233-H236 PolarHBondContact ND2-NE2 3.46Å; N233-H236 PolarHBondContact OD1-CD2 2.84Å; N233-H236 VanDerWaalsContact OD1-CD2 3.24Å; N233-H236 PolarHBondContact OD1-N 3.16Å; N233-H236 PolarHBondContact OD1-NE2 3.28Å; H236-N238 PolarHBondContact O-N 3.45Å; H236-R239 HydrophobicContact CB-CB 4.2Å; H236-R239 VanDerWaalsContact O-CB 3.3Å; H236-R239 WeakPolarHBondContact O-CB 3.39Å; H236-R239 PolarHBondContact O-N 2.98Å
237	R	95.7	Very high	95.9	Very high	40 Å²	40	80.9 Å²	80.9	15%	0.151	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-18.4	166.9	56.1	-174.7	176.9	-164.8	-7.2	114.8	C191 D193 C205 I232 N233 K234 R244	C191-R237 HydrophobicContact CB-CB 4.36Å; C191-R237 PolarHBondContact SG-NH1 3.14Å; D193-R237 IonicContact OD2-CZ 3.73Å; D193-R237 IonicContact OD2-NH1 3.9Å; D193-R237 PolarHBondContact OD2-NH1 3.06Å; D193-R237 IonicContact OD2-NH2 2.79Å; D193-R237 PolarHBondContact OD2-NH2 3.35Å; C205-R237 PolarHBondContact SG-NH1 3.15Å; I232-R237 HydrophobicContact CG2-CB 3.89Å; N233-R237 WeakPolarHBondContact O-CB 3.47Å; N233-R237 WeakPolarHBondContact O-CG 3.3Å; N233-R237 PolarHBondContact O-N 2.9Å; K234-R237 PolarHBondContact O-NE 3.43Å; R237-R244 WeakPolarHBondContact O-CD 3.45Å; R237-R244 PolarHBondContact O-NH1 3.39Å
238	N	95.9	Very high	96.2	Very high	123 Å²	123	72.3 Å²	72.3	66%	0.658	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-10.4	176	-66.3	-0.9	0	0	0	113.4	H236 C240 R244	H236-N238 PolarHBondContact O-N 3.45Å; N238-C240 PolarHBondContact O-N 2.97Å; N238-R244 PolarHBondContact OD1-NH1 2.72Å
239	R	95.8	Very high	96.4	Very high	222 Å²	222	72.3 Å²	72.3	84%	0.838	34%	0.342	S	S	*	.	S	Bend	trans	-71.9	-26.2	-173.2	-178.5	57.8	171.7	-178.8	-2.5	114.1	H236	H236-R239 HydrophobicContact CB-CB 4.2Å; H236-R239 VanDerWaalsContact O-CB 3.3Å; H236-R239 WeakPolarHBondContact O-CB 3.39Å; H236-R239 PolarHBondContact O-N 2.98Å
240	C	97.3	Very high	96.5	Very high	12 Å²	12	76.1 Å²	76.1	8%	0.081	35%	0.354	C	S	.	.			trans	-146.8	110.1	176.4	-175.5	0	0	0	0	110.8	C230 N238 C243 R244	C230-C240 HydrophobicContact CB-CB 4.01Å; N238-C240 PolarHBondContact O-N 2.97Å; C240-C243 HydrophobicContact CB-CB 4.19Å; C240-C243 PolarHBondContact SG-SG 3.19Å; C240-R244 WeakPolarHBondContact O-CB 3.3Å; C240-R244 PolarHBondContact O-N 2.86Å
241	Q	97.6	Very high	96.5	Very high	105 Å²	105	78.2 Å²	78.2	49%	0.491	36%	0.361	S	S	.	.	H	α-helix	trans	-67.4	-40.6	-179.8	-68.4	161	-82.2	0	0	111.7	F211 Y222 R244 L245	F211-Q241 HydrophobicContact CE2-CB 4.16Å; F211-Q241 HydrophobicContact CE2-CG 4.11Å; F211-Q241 HydrophobicContact CZ-CB 4.25Å; F211-Q241 WeakPolarHBondContact CZ-O 3.43Å; Y222-Q241 HydrophobicContact CD1-CB 3.81Å; Y222-Q241 HydrophobicContact CD2-CB 3.77Å; Y222-Q241 HydrophobicContact CE1-CB 4.01Å; Y222-Q241 HydrophobicContact CE1-CG 4.45Å; Y222-Q241 HydrophobicContact CE2-CB 3.98Å; Y222-Q241 HydrophobicContact CG-CB 3.69Å; Q241-R244 PolarHBondContact O-N 2.89Å; Q241-L245 PolarHBondContact O-N 3.48Å
242	F	97.9	Very high	96.5	Very high	47 Å²	47	75 Å²	75	21%	0.206	35%	0.349	C	S	.	.	H	α-helix	trans	-56.2	-56.1	176.1	176.3	-94.5	0	0	0	112.3	Y222 C224 Q228 R244 L245 R246	Y222-F242 WeakPolarHBondContact O-CD2 3.49Å; C224-F242 HydrophobicContact CB-CB 4.32Å; C224-F242 HydrophobicContact CB-CD1 3.78Å; C224-F242 HydrophobicContact CB-CE1 4.46Å; C224-F242 HydrophobicContact CB-CG 4.21Å; Q228-F242 HydrophobicContact CB-CD1 4.41Å; Q228-F242 HydrophobicContact CB-CE1 3.75Å; Q228-F242 VanDerWaalsContact CD-CE1 3.41Å; Q228-F242 HydrophobicContact CG-CD1 4.19Å; Q228-F242 HydrophobicContact CG-CE1 3.52Å; Q228-F242 HydrophobicContact CG-CZ 4.14Å; F242-R244 PolarHBondContact O-N 3.29Å; F242-L245 PolarHBondContact O-N 2.99Å; F242-L245 VanDerWaalsContact O-N 3.14Å; F242-R246 WeakPolarHBondContact O-CB 3.45Å; F242-R246 PolarHBondContact O-N 2.95Å
243	C	97.6	Very high	96.5	Very high	6 Å²	6	74.7 Å²	74.7	4%	0.041	35%	0.348	C	S	.	.	H	α-helix	trans	-62.9	-31.6	-178.3	-60.6	0	0	0	0	112	C224 Q228 C230 I232 C240 K247	C224-C243 VanDerWaalsContact SG-SG 3.61Å; Q228-C243 PolarHBondContact O-SG 2.96Å; C230-C243 HydrophobicContact CB-CB 4.01Å; I232-C243 HydrophobicContact CD1-CB 4.07Å; I232-C243 HydrophobicContact CG1-CB 4.39Å; C240-C243 HydrophobicContact CB-CB 4.19Å; C240-C243 PolarHBondContact SG-SG 3.19Å; C243-K247 VanDerWaalsContact O-CB 3.27Å; C243-K247 WeakPolarHBondContact O-CB 3.25Å; C243-K247 PolarHBondContact O-N 2.89Å
244	R	98.1	Very high	96.5	Very high	13 Å²	13	77.8 Å²	77.8	5%	0.049	36%	0.359	C	S	.	.	H	α-helix	trans	-67.9	-46.6	173.4	-170.6	-170.4	-169.8	149.5	-10.5	112.2	G207 F211 I232 R237 N238 C240 Q241 F242 K247 C248	G207-R244 PolarHBondContact O-NH2 2.9Å; F211-R244 VanDerWaalsContact CD1-CD 3.45Å; F211-R244 HydrophobicContact CD1-CG 3.86Å; F211-R244 HydrophobicContact CE1-CB 3.97Å; F211-R244 HydrophobicContact CE1-CG 3.69Å; F211-R244 HydrophobicContact CZ-CB 4.13Å; F211-R244 HydrophobicContact CZ-CG 4.21Å; I232-R244 HydrophobicContact CD1-CB 4.04Å; I232-R244 HydrophobicContact CG2-CG 4.35Å; R237-R244 WeakPolarHBondContact O-CD 3.45Å; R237-R244 PolarHBondContact O-NH1 3.39Å; N238-R244 PolarHBondContact OD1-NH1 2.72Å; C240-R244 WeakPolarHBondContact O-CB 3.3Å; C240-R244 PolarHBondContact O-N 2.86Å; Q241-R244 PolarHBondContact O-N 2.89Å; F242-R244 PolarHBondContact O-N 3.29Å; R244-K247 CarbonylContact O-C 3.21Å; R244-K247 PolarHBondContact O-N 3Å; R244-C248 PolarHBondContact O-N 3.07Å; R244-C248 PolarHBondContact O-SG 3.23Å
245	L	97.8	Very high	96.3	Very high	31 Å²	31	76.6 Å²	76.6	16%	0.162	36%	0.36	C	S	.	.	H	α-helix	trans	-65.5	-45.3	178.6	-175.2	61	0	0	0	111	F211 F212 Y222 Q241 F242 K247 C248 L249	F211-L245 HydrophobicContact CE1-CB 3.9Å; F211-L245 HydrophobicContact CE1-CD1 4.24Å; F211-L245 HydrophobicContact CZ-CB 4.07Å; F212-L245 HydrophobicContact CD2-CD1 3.86Å; F212-L245 HydrophobicContact CE2-CD1 4.15Å; Y222-L245 HydrophobicContact CD2-CB 4.14Å; Y222-L245 HydrophobicContact CD2-CD2 3.82Å; Y222-L245 HydrophobicContact CE2-CB 4.29Å; Y222-L245 HydrophobicContact CE2-CD2 3.89Å; Q241-L245 PolarHBondContact O-N 3.48Å; F242-L245 PolarHBondContact O-N 2.99Å; F242-L245 VanDerWaalsContact O-N 3.14Å; L245-K247 PolarHBondContact O-N 3.12Å; L245-C248 WeakPolarHBondContact O-CB 3.4Å; L245-C248 PolarHBondContact O-N 3.21Å; L245-L249 HydrophobicContact CG-CD1 4.47Å; L245-L249 WeakPolarHBondContact O-CG 3.47Å; L245-L249 PolarHBondContact O-N 3.26Å
246	R	97.1	Very high	96.1	Very high	118 Å²	118	73.2 Å²	73.2	45%	0.445	35%	0.347	S	S	.	.	H	α-helix	trans	-56.8	-38.3	173.5	-164.2	168.9	81.1	147.5	9.5	111.8	Q228 F242 K250	Q228-R246 PolarHBondContact O-NH2 2.99Å; F242-R246 WeakPolarHBondContact O-CB 3.45Å; F242-R246 PolarHBondContact O-N 2.95Å; R246-K250 VanDerWaalsContact O-CB 3.29Å; R246-K250 WeakPolarHBondContact O-CB 3.46Å; R246-K250 PolarHBondContact O-N 2.71Å
247	K	97.6	Very high	95.9	Very high	67 Å²	67	71.5 Å²	71.5	29%	0.291	34%	0.344	S	S	.	.	H	α-helix	trans	-75.1	-33.7	174.1	-165	176.5	179	-167.4	0	113.5	V190 I232 C243 R244 L245 M251	V190-K247 HydrophobicContact CG1-CB 4.38Å; V190-K247 HydrophobicContact CG1-CD 4.44Å; V190-K247 HydrophobicContact CG1-CG 4.3Å; V190-K247 VanDerWaalsContact O-CD 3.27Å; V190-K247 WeakPolarHBondContact O-CD 3.36Å; V190-K247 WeakPolarHBondContact O-CE 3.12Å; V190-K247 PolarHBondContact O-NZ 3.01Å; I232-K247 HydrophobicContact CB-CD 3.9Å; I232-K247 HydrophobicContact CG1-CD 4.25Å; I232-K247 HydrophobicContact CG2-CD 4.4Å; I232-K247 PolarHBondContact O-NZ 3.48Å; C243-K247 VanDerWaalsContact O-CB 3.27Å; C243-K247 WeakPolarHBondContact O-CB 3.25Å; C243-K247 PolarHBondContact O-N 2.89Å; R244-K247 CarbonylContact O-C 3.21Å; R244-K247 PolarHBondContact O-N 3Å; L245-K247 PolarHBondContact O-N 3.12Å; K247-M251 HydrophobicContact CG-CG 4.01Å; K247-M251 WeakPolarHBondContact O-CB 3.35Å; K247-M251 VanDerWaalsContact O-CG 3.22Å; K247-M251 WeakPolarHBondContact O-CG 3.24Å; K247-M251 PolarHBondContact O-N 2.88Å
248	C	97.9	Very high	95.6	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-57.3	-51.2	170.5	-78	0	0	0	0	111	F212 R244 L245 M251 G252 M253	F212-C248 HydrophobicContact CD2-CB 3.56Å; F212-C248 HydrophobicContact CE2-CB 4.07Å; F212-C248 HydrophobicContact CG-CB 4.46Å; R244-C248 PolarHBondContact O-N 3.07Å; R244-C248 PolarHBondContact O-SG 3.23Å; L245-C248 WeakPolarHBondContact O-CB 3.4Å; L245-C248 PolarHBondContact O-N 3.21Å; C248-M251 PolarHBondContact O-N 2.88Å; C248-G252 PolarHBondContact O-N 3.48Å; C248-M253 HydrophobicContact CB-CB 4.3Å; C248-M253 HydrophobicContact CB-CG 4.33Å; C248-M253 HydrophobicContact CB-SD 3.63Å; C248-M253 VanDerWaalsContact O-CB 3.31Å; C248-M253 WeakPolarHBondContact O-CB 3.31Å; C248-M253 PolarHBondContact O-N 2.71Å
249	L	97.3	Very high	95	Very high	86 Å²	86	70.6 Å²	70.6	45%	0.45	34%	0.339	S	S	.	.	H	α-helix	trans	-61.1	-51.1	177.1	-64.9	167.6	0	0	0	111.2	F212 L245 M251 G252 T255	F212-L249 HydrophobicContact CE2-CD2 3.8Å; F212-L249 HydrophobicContact CE2-CG 4.27Å; F212-L249 HydrophobicContact CZ-CD2 4.14Å; L245-L249 HydrophobicContact CG-CD1 4.47Å; L245-L249 WeakPolarHBondContact O-CG 3.47Å; L245-L249 PolarHBondContact O-N 3.26Å; L249-M251 PolarHBondContact O-N 3.01Å; L249-G252 PolarHBondContact O-N 3.15Å; L249-T255 HydrophobicContact CD2-CG2 3.91Å
250	K	97.1	Very high	93.9	Very high	180 Å²	180	64.8 Å²	64.8	78%	0.783	33%	0.333	S	S	*	.	H	α-helix	trans	-58.8	-30.7	179.5	-176.9	170	-178.4	172.9	0	113.7	R246 G252	R246-K250 VanDerWaalsContact O-CB 3.29Å; R246-K250 WeakPolarHBondContact O-CB 3.46Å; R246-K250 PolarHBondContact O-N 2.71Å; K250-G252 VanDerWaalsContact C-N 3.32Å
251	M	96.8	Very high	92.6	Very high	80 Å²	80	71.4 Å²	71.4	39%	0.394	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	19.9	176.9	-54.2	-54.3	-67.3	0	0	113.4	V189 V190 A202 K247 C248 L249	V189-M251 HydrophobicContact CB-CB 4.33Å; V189-M251 HydrophobicContact CB-CE 3.89Å; V189-M251 HydrophobicContact CG2-CB 3.59Å; V189-M251 HydrophobicContact CG2-CE 4.4Å; V189-M251 HydrophobicContact CG2-CG 4.24Å; V190-M251 HydrophobicContact CG2-CB 4.36Å; A202-M251 VanDerWaalsContact CB-O 3.27Å; A202-M251 WeakPolarHBondContact CB-O 3.43Å; K247-M251 HydrophobicContact CG-CG 4.01Å; K247-M251 WeakPolarHBondContact O-CB 3.35Å; K247-M251 VanDerWaalsContact O-CG 3.22Å; K247-M251 WeakPolarHBondContact O-CG 3.24Å; K247-M251 PolarHBondContact O-N 2.88Å; C248-M251 PolarHBondContact O-N 2.88Å; L249-M251 PolarHBondContact O-N 3.01Å
252	G	94.4	Very high	91.4	Very high	39 Å²	39	75.7 Å²	75.7	40%	0.402	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	19	168.3	0	0	0	0	0	116.4	C248 L249 K250 K254	C248-G252 PolarHBondContact O-N 3.48Å; L249-G252 PolarHBondContact O-N 3.15Å; K250-G252 VanDerWaalsContact C-N 3.32Å; G252-K254 PolarHBondContact O-N 3.17Å
253	M	97.6	Very high	88.8	Confident	4 Å²	4	82.7 Å²	82.7	2%	0.02	41%	0.405	C	S	.	.			trans	-76.7	115.9	167	-66	-174.6	162.4	0	0	110.1	V190 Y200 A202 S204 C208 F212 C248	V190-M253 HydrophobicContact CG2-CE 4.22Å; V190-M253 HydrophobicContact CG2-SD 4.44Å; Y200-M253 CarbonylContact O-C 3.48Å; Y200-M253 WeakPolarHBondContact O-CA 3.41Å; A202-M253 HydrophobicContact CB-CE 4.37Å; A202-M253 HydrophobicContact CB-CG 3.73Å; S204-M253 WeakPolarHBondContact OG-CE 3.37Å; C208-M253 HydrophobicContact CB-CE 4.38Å; F212-M253 HydrophobicContact CB-SD 3.91Å; F212-M253 HydrophobicContact CD1-CB 4.12Å; F212-M253 HydrophobicContact CD1-SD 4.37Å; F212-M253 HydrophobicContact CD2-CB 3.98Å; F212-M253 HydrophobicContact CD2-SD 4.1Å; F212-M253 HydrophobicContact CE1-CB 3.85Å; F212-M253 HydrophobicContact CE2-CB 3.7Å; F212-M253 HydrophobicContact CG-CB 4.18Å; F212-M253 HydrophobicContact CG-SD 3.87Å; F212-M253 HydrophobicContact CZ-CB 3.63Å; F212-M253 WeakPolarHBondContact CZ-O 3.27Å; C248-M253 HydrophobicContact CB-CB 4.3Å; C248-M253 HydrophobicContact CB-CG 4.33Å; C248-M253 HydrophobicContact CB-SD 3.63Å; C248-M253 VanDerWaalsContact O-CB 3.31Å; C248-M253 WeakPolarHBondContact O-CB 3.31Å; C248-M253 PolarHBondContact O-N 2.71Å
254	K	94.6	Very high	86.7	Confident	118 Å²	118	88 Å²	88	51%	0.513	44%	0.439	S	S	.	.			trans	-90.1	129.5	-179.4	-55.4	-170.8	176.3	-169.5	0	111.5	Y200 F212 G252 D256 S257	Y200-K254 PolarHBondContact O-N 2.93Å; F212-K254 WeakPolarHBondContact CE1-O 3.33Å; G252-K254 PolarHBondContact O-N 3.17Å; K254-D256 VanDerWaalsContact C-N 3.32Å; K254-D256 WeakPolarHBondContact CB-OD1 3.27Å; K254-S257 PolarHBondContact O-N 3.11Å
255	T	92.6	Very high	84.6	Confident	78 Å²	78	94.5 Å²	94.5	48%	0.479	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-61.8	-41.8	176.5	50.2	0	0	0	0	111.3	F212 V216 L249 S257 V258	F212-T255 HydrophobicContact CZ-CG2 4.05Å; V216-T255 HydrophobicContact CG1-CG2 4.4Å; V216-T255 HydrophobicContact CG2-CG2 3.88Å; L249-T255 HydrophobicContact CD2-CG2 3.91Å; T255-S257 PolarHBondContact O-N 3.05Å; T255-V258 WeakPolarHBondContact O-CB 3.36Å; T255-V258 PolarHBondContact O-N 2.99Å
256	D	89.7	Confident	82.1	Confident	88 Å²	88	100.2 Å²	100.2	47%	0.471	50%	0.504	S	S	.	.	G	3₁₀ helix	trans	-53.9	-7.5	175.6	74	16.6	0	0	0	116.5	K160 K254	K160-D256 VanDerWaalsContact CE-CG 3.48Å; K160-D256 WeakPolarHBondContact CE-OD2 3.37Å; K160-D256 PolarHBondContact NZ-O 3.28Å; K160-D256 IonicContact NZ-OD1 3.2Å; K160-D256 PolarHBondContact NZ-OD1 3.15Å; K160-D256 IonicContact NZ-OD2 3.26Å; K160-D256 PolarHBondContact NZ-OD2 2.75Å; K160-D256 VanDerWaalsContact NZ-OD2 3.09Å; K254-D256 VanDerWaalsContact C-N 3.32Å; K254-D256 WeakPolarHBondContact CB-OD1 3.27Å
257	S	88.5	Confident	79.9	Confident	44 Å²	44	100 Å²	100	31%	0.308	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-107.8	0	-176.8	-61.7	0	0	0	0	111.5	Y200 K254 T255 Q259	Y200-S257 WeakPolarHBondContact CD1-O 3.29Å; Y200-S257 WeakPolarHBondContact CE1-O 3.49Å; K254-S257 PolarHBondContact O-N 3.11Å; T255-S257 PolarHBondContact O-N 3.05Å; S257-Q259 PolarHBondContact O-N 3.24Å
258	V	89	Confident	77.5	Confident	20 Å²	20	102.7 Å²	102.7	12%	0.121	54%	0.537	C	S	.	.			trans	-93.5	86.2	174.7	-175.1	0	0	0	0	108.5	Y200 F212 K213 V216 R217 T255	Y200-V258 HydrophobicContact CD1-CG2 3.76Å; Y200-V258 HydrophobicContact CE1-CB 4.44Å; Y200-V258 HydrophobicContact CE1-CG2 3.81Å; Y200-V258 HydrophobicContact CG-CG2 4.23Å; F212-V258 HydrophobicContact CD1-CG2 3.92Å; F212-V258 HydrophobicContact CE1-CG2 3.75Å; K213-V258 HydrophobicContact CG-CG1 4.17Å; V216-V258 HydrophobicContact CB-CB 4.22Å; V216-V258 HydrophobicContact CB-CG1 4.21Å; V216-V258 HydrophobicContact CB-CG2 4.04Å; V216-V258 HydrophobicContact CG1-CB 3.9Å; V216-V258 HydrophobicContact CG1-CG1 4.21Å; V216-V258 HydrophobicContact CG1-CG2 4.08Å; V216-V258 HydrophobicContact CG2-CG2 4.21Å; R217-V258 HydrophobicContact CG-CG1 4.16Å; T255-V258 WeakPolarHBondContact O-CB 3.36Å; T255-V258 PolarHBondContact O-N 2.99Å
259	Q	83.1	Confident	74.8	Confident	125 Å²	125	108.5 Å²	108.5	58%	0.584	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-49.5	147	171.6	-66.5	-178.2	-23.2	0	0	111.4	R217 S257	R217-Q259 PolarHBondContact NH1-O 2.97Å; R217-Q259 PolarHBondContact NH2-O 3.43Å; S257-Q259 PolarHBondContact O-N 3.24Å
260	S	71.6	Confident	72.2	Confident	100 Å²	100	115.6 Å²	115.6	70%	0.699	60%	0.595	S	S	*	*	P	Polyproline II helix	trans	-55	171.9	172.6	-47.8	0	0	0	0	113.3	R217 R262	R217-S260 VanDerWaalsContact NH2-C 3.3Å; R217-S260 PolarHBondContact NH2-O 3.44Å; S260-R262 PolarHBondContact O-N 2.94Å
261	E	70.5	Confident	69.7	Low	150 Å²	150	115.6 Å²	115.6	70%	0.701	60%	0.598	S	S	*	*	P	Polyproline II helix	trans	-56	129.2	170.6	-60	-84.8	97.5	0	0	109.4	R217	R217-E261 VanDerWaalsContact CD-OE1 3.28Å; R217-E261 WeakPolarHBondContact CD-OE1 3.22Å; R217-E261 IonicContact CZ-OE1 2.69Å; R217-E261 IonicContact NE-OE1 3.72Å; R217-E261 PolarHBondContact NE-OE1 3.36Å; R217-E261 IonicContact NH2-OE1 3.19Å
262	R	72.5	Confident	66.9	Low	195 Å²	195	122.4 Å²	122.4	74%	0.736	62%	0.62	S	S	*	*	P	Polyproline II helix	trans	-81.2	141.5	165.6	-62.5	-177.1	-174.6	-174.6	0.3	106.3	S260	S260-R262 PolarHBondContact O-N 2.94Å
263	K	44.2	Very low	64.4	Low	195 Å²	195	128.6 Å²	128.6	85%	0.848	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-47.4	139.7	164.2	-67	-173.1	177.6	-174.3	0	108.1	I265	K263-I265 PolarHBondContact O-N 2.93Å
264	P	53.5	Low	62	Low	116 Å²	116	134.2 Å²	134.2	75%	0.753	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-47.7	135	171.6	-26.6	35.1	0	0	0	109	D266	P264-D266 PolarHBondContact O-N 3.49Å; P264-D266 VanDerWaalsContact O-N 3.09Å
265	I	53.2	Low	59.8	Low	151 Å²	151	136.1 Å²	136.1	77%	0.774	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-65	116.7	168.6	-65.3	171.4	0	0	0	104.8	K263 V267	K263-I265 PolarHBondContact O-N 2.93Å; I265-V267 VanDerWaalsContact C-N 3.26Å; I265-V267 PolarHBondContact O-N 3.04Å
266	D	45.7	Very low	57.2	Low	150 Å²	150	137.6 Å²	137.6	80%	0.802	71%	0.705	S	S	*	*			trans	-60	97.9	165.8	-79	-52.6	0	0	0	107.3	P264 V268	P264-D266 PolarHBondContact O-N 3.49Å; P264-D266 VanDerWaalsContact O-N 3.09Å; D266-V268 PolarHBondContact O-N 3.39Å
267	V	49.9	Very low	54.8	Low	113 Å²	113	138.2 Å²	138.2	69%	0.685	72%	0.723	S	S	*	*			trans	-70.4	88.8	172.2	178.8	0	0	0	0	105.5	I265 P269	I265-V267 VanDerWaalsContact C-N 3.26Å; I265-V267 PolarHBondContact O-N 3.04Å; V267-P269 WeakPolarHBondContact O-CD 3.42Å
268	V	48.3	Very low	52.5	Low	124 Å²	124	140.5 Å²	140.5	75%	0.752	74%	0.744	S	S	*	*			trans	-37.7	116	164.4	176.7	0	0	0	0	106.6	D266 R270	D266-V268 PolarHBondContact O-N 3.39Å; V268-R270 PolarHBondContact O-N 3.16Å
269	P	41.4	Very low	50.2	Low	122 Å²	122	143.7 Å²	143.7	79%	0.792	77%	0.768	S	S	*	*			trans	-59.3	94.9	-164.8	-30.9	37.4	0	0	0	112.7	V267 E271	V267-P269 WeakPolarHBondContact O-CD 3.42Å; P269-E271 PolarHBondContact O-N 3.42Å
270	R	41.5	Very low	48.7	Very low	235 Å²	235	144.2 Å²	144.2	89%	0.887	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-58.2	130.3	173.1	-166.9	174.9	-172.2	164.2	3.2	107.3	V268 R272	V268-R270 PolarHBondContact O-N 3.16Å; R270-R272 PolarHBondContact O-N 2.98Å
271	E	44.9	Very low	47.2	Very low	180 Å²	180	147.1 Å²	147.1	84%	0.841	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-46.8	132.9	-163.5	-62.4	180	126.8	0	0	112.6	P269 H273	P269-E271 PolarHBondContact O-N 3.42Å; E271-H273 PolarHBondContact O-N 3.46Å; E271-H273 VanDerWaalsContact O-N 3.15Å
272	R	39.3	Very low	45.8	Very low	224 Å²	224	147.9 Å²	147.9	85%	0.845	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-60.2	121.2	-178.6	-71	-176.6	179.8	178.4	1.2	109.3	R270 S274	R270-R272 PolarHBondContact O-N 2.98Å; R272-S274 PolarHBondContact O-N 3.38Å
273	H	42	Very low	44.2	Very low	169 Å²	169	145.3 Å²	145.3	78%	0.782	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-53	133.8	166.1	-84.8	-117.5	0	0	0	109.7	E271 N275	E271-H273 PolarHBondContact O-N 3.46Å; E271-H273 VanDerWaalsContact O-N 3.15Å; H273-N275 PolarHBondContact O-N 3.18Å
274	S	46.9	Very low	44.2	Very low	122 Å²	122	144.5 Å²	144.5	85%	0.853	78%	0.775	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	4.2	-158	-33.2	0	0	0	0	117.2	R272	R272-S274 PolarHBondContact O-N 3.38Å
275	N	48.7	Very low	43.6	Very low	157 Å²	157	146.3 Å²	146.3	84%	0.84	78%	0.777	S	S	*	*	T	Hydrogen-bonded Turn	trans	-113.6	7.9	-165.5	-64.7	-15.9	0	0	0	114.3	H273 A277	H273-N275 PolarHBondContact O-N 3.18Å; N275-A277 PolarHBondContact O-N 2.95Å
276	C	37.6	Very low	42.7	Very low	109 Å²	109	148.7 Å²	148.7	74%	0.736	78%	0.776	S	S	*	*	S	Bend	trans	-88.8	102	170.6	-70	0	0	0	0	110.3	A278	C276-A278 PolarHBondContact O-N 3.46Å
277	A	39.5	Very low	42.7	Very low	101 Å²	101	151 Å²	151	84%	0.835	78%	0.779	S	S	*	*			trans	-58.6	130.5	-176.8	0	0	0	0	0	113.2	N275 S279	N275-A277 PolarHBondContact O-N 2.95Å; A277-S279 PolarHBondContact O-N 3.26Å; A277-S279 VanDerWaalsContact O-N 3.13Å
278	A	39.9	Very low	42.2	Very low	92 Å²	92	152.4 Å²	152.4	76%	0.76	78%	0.783	S	S	*	*			trans	-82.7	84.9	-179.8	0	0	0	0	0	111.7	C276 T280	C276-A278 PolarHBondContact O-N 3.46Å; A278-T280 PolarHBondContact O-N 3.05Å
279	S	40.4	Very low	41.8	Very low	88 Å²	88	153.5 Å²	153.5	62%	0.615	78%	0.784	S	S	*	*			trans	-83.3	95.4	163.8	-172.7	0	0	0	0	110.1	A277 Q281	A277-S279 PolarHBondContact O-N 3.26Å; A277-S279 VanDerWaalsContact O-N 3.13Å; S279-Q281 PolarHBondContact O-N 3.15Å
280	T	52.3	Low	42.1	Very low	136 Å²	136	155.3 Å²	155.3	83%	0.834	79%	0.787	S	S	*	*			trans	-81	25.3	172.9	44.9	0	0	0	0	112.8	A278	A278-T280 PolarHBondContact O-N 3.05Å
281	Q	39.9	Very low	41.8	Very low	160 Å²	160	149.3 Å²	149.3	75%	0.748	78%	0.781	S	S	*	*	S	Bend	trans	-111.8	105.9	174.8	-67.7	-168.8	-5.6	0	0	111.2	S279 I283	S279-Q281 PolarHBondContact O-N 3.15Å; Q281-I283 PolarHBondContact O-N 2.98Å; Q281-I283 VanDerWaalsContact O-N 3.07Å
282	K	40.8	Very low	41.8	Very low	166 Å²	166	146.6 Å²	146.6	72%	0.722	78%	0.779	S	S	*	*			trans	-13.8	91.9	171.5	-61.4	173.4	169.6	-171.2	0	116.3	Y284	K282-Y284 HydrophobicContact CB-CD2 3.98Å; K282-Y284 HydrophobicContact CB-CE2 3.65Å; K282-Y284 HydrophobicContact CD-CE2 3.75Å; K282-Y284 HydrophobicContact CG-CE2 4.24Å; K282-Y284 PolarHBondContact O-N 3.23Å; K282-Y284 VanDerWaalsContact O-N 3.16Å
283	I	39.3	Very low	41.7	Very low	142 Å²	142	143.9 Å²	143.9	73%	0.728	78%	0.78	S	S	*	*			trans	-80.9	91.4	166	-56.3	178.8	0	0	0	108.7	Q281 I285	Q281-I283 PolarHBondContact O-N 2.98Å; Q281-I283 VanDerWaalsContact O-N 3.07Å; I283-I285 HydrophobicContact CG2-CG1 4.24Å; I283-I285 PolarHBondContact O-N 3.36Å
284	Y	42.9	Very low	41.7	Very low	177 Å²	177	143.5 Å²	143.5	69%	0.694	78%	0.782	S	S	*	*			trans	-75.9	98.9	171.3	-71.1	-80.8	0	0	0	110.5	K282 R286	K282-Y284 HydrophobicContact CB-CD2 3.98Å; K282-Y284 HydrophobicContact CB-CE2 3.65Å; K282-Y284 HydrophobicContact CD-CE2 3.75Å; K282-Y284 HydrophobicContact CG-CE2 4.24Å; K282-Y284 PolarHBondContact O-N 3.23Å; K282-Y284 VanDerWaalsContact O-N 3.16Å; Y284-R286 PolarHBondContact O-N 2.99Å; Y284-R286 VanDerWaalsContact O-N 3.12Å
285	I	40.5	Very low	40.9	Very low	155 Å²	155	142.4 Å²	142.4	80%	0.795	78%	0.78	S	S	*	*			trans	-74.8	99.4	167.8	-56.5	178.2	0	0	0	108.1	I283 K287	I283-I285 HydrophobicContact CG2-CG1 4.24Å; I283-I285 PolarHBondContact O-N 3.36Å; I285-K287 PolarHBondContact O-N 3.31Å
286	R	36.1	Very low	40.1	Very low	200 Å²	200	141 Å²	141	76%	0.755	78%	0.777	S	S	*	*			trans	-64	129.6	163.9	-70.2	-177.9	178.2	153.2	-1	108.4	Y284	Y284-R286 PolarHBondContact O-N 2.99Å; Y284-R286 VanDerWaalsContact O-N 3.12Å
287	K	45.5	Very low	39.9	Very low	200 Å²	200	141.9 Å²	141.9	87%	0.87	78%	0.782	S	S	*	*	S	Bend	trans	-81.9	-28.6	178	-159.3	175.3	179.7	-173.6	0	112.7	I285	I285-K287 PolarHBondContact O-N 3.31Å
288	D	38.1	Very low	39.7	Very low	142 Å²	142	142.7 Å²	142.7	76%	0.759	78%	0.777	S	S	*	*			trans	-145	164.1	172.8	-87.1	-66.1	0	0	0	111
289	L	41.4	Very low	39.3	Very low	147 Å²	147	147.5 Å²	147.5	77%	0.77	78%	0.781	S	S	*	*	S	Bend	trans	-92.6	-15.8	-172.7	-87.9	164.4	0	0	0	115.6
290	N	47.8	Very low	38.8	Very low	160 Å²	160	151.7 Å²	151.7	86%	0.856	79%	0.794	S	S	*	*			trans	-124.8	75.6	-168.7	-70.8	-10.2	0	0	0	113.4
291	S	34.9	Very low	37.8	Very low	108 Å²	108	149.7 Å²	149.7	76%	0.755	79%	0.786	S	S	*	*			trans	-157.9	131.2	160.8	-170.8	0	0	0	0	112.1
292	P	44.7	Very low	37.2	Very low	124 Å²	124	149.1 Å²	149.1	81%	0.805	79%	0.788	S	S	*	*			trans	-110.6	60.8	-169.3	41.8	-35.3	0	0	0	114.8
293	L	37.4	Very low	36.6	Very low	167 Å²	167	147.3 Å²	147.3	87%	0.874	79%	0.791	S	S	*	*			trans	-132.6	152.4	168.3	-73.8	177.2	0	0	0	112.3
294	I	40.3	Very low	36	Very low	161 Å²	161	147.1 Å²	147.1	83%	0.826	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-83.4	135.1	-172	-65.2	174	0	0	0	110.8
295	A	31.3	Very low	35.3	Very low	98 Å²	98	145.2 Å²	145.2	81%	0.81	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-84.4	124.8	174.3	0	0	0	0	0	111.8
296	T	31.9	Very low	34.7	Very low	127 Å²	127	145.9 Å²	145.9	78%	0.779	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-102.9	140.7	172	44.1	0	0	0	0	111.3
297	P	33.9	Very low	34.3	Very low	128 Å²	128	139 Å²	139	83%	0.831	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-86.6	152.5	178.2	34.8	-34.5	0	0	0	112.7
298	T	33.9	Very low	33.5	Very low	118 Å²	118	134.9 Å²	134.9	72%	0.724	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-93.8	158.9	171.4	-43	0	0	0	0	111.1
299	F	32.4	Very low	33.1	Very low	193 Å²	193	139.6 Å²	139.6	85%	0.846	80%	0.799	S	S	*	*			trans	81.5	108.2	174.5	-58.1	-78.1	0	0	0	118.5
300	I	29.7	Very low	32.4	Very low	176 Å²	176	138.3 Å²	138.3	90%	0.903	80%	0.802	S	S	*	*			trans	-134.5	151.3	132	-63.6	-173.2	0	0	0	106.6
301	S	30.2	Very low	31.6	Very low	94 Å²	94	135.2 Å²	135.2	66%	0.657	79%	0.793	S	S	*	*			trans	-104.5	147	-177.8	51.9	0	0	0	0	113.5
302	D	28.9	Very low	31.3	Very low	149 Å²	149	138.2 Å²	138.2	80%	0.797	80%	0.8	S	S	*	*			trans	29	121.8	151	-42.6	-30.7	0	0	0	120.8
303	T	28.3	Very low	30.7	Very low	127 Å²	127	139.4 Å²	139.4	78%	0.779	80%	0.798	S	S	*	*				-176.7	129.9	117.3	20.3	0	0	0	0	114
304	D	26.8	Very low	30.1	Very low	138 Å²	138	137.8 Å²	137.8	74%	0.738	79%	0.791	S	S	*	*			trans	49.4	130.8	140.9	-52.5	-24.6	0	0	0	125.7
305	T	27.9	Very low	29.5	Very low	137 Å²	137	138.1 Å²	138.1	84%	0.84	79%	0.789	S	S	*	*			trans	75.2	114.7	142.8	43.8	0	0	0	0	124
306	D	27	Very low	29.2	Very low	169 Å²	169	136.7 Å²	136.7	90%	0.904	78%	0.784	S	S	*	*				80.2	151.7	127.6	-153.6	19.2	0	0	0	121.8
307	G	27	Very low	29	Very low	57 Å²	57	139.5 Å²	139.5	59%	0.588	79%	0.79	S	S	*	*			trans	93.5	88.2	145.1	0	0	0	0	0	121.4
308	S	28.9	Very low	28.7	Very low	113 Å²	113	140.9 Å²	140.9	79%	0.79	79%	0.79	S	S	*	*			trans	62.1	127	141.8	-70.2	0	0	0	0	123.4
309	R	30.1	Very low	28.5	Very low	241 Å²	241	140.6 Å²	140.6	91%	0.909	79%	0.787	S	S	*	*				39.2	116.2	128.4	-56.5	170.3	65	164.3	2.1	119.5
310	S	26.9	Very low	28.1	Very low	119 Å²	119	137.7 Å²	137.7	83%	0.832	78%	0.781	S	S	*	*				-162.6	149.8	103.4	-161.5	0	0	0	0	113.1
311	S	31.3	Very low	27.9	Very low	95 Å²	95	135.9 Å²	135.9	66%	0.664	77%	0.772	S	S	*	*			trans	-79.9	153.9	156.5	175.3	0	0	0	0	109.7
312	L	28.1	Very low	27.6	Very low	171 Å²	171	139.3 Å²	139.3	90%	0.895	78%	0.777	S	S	*	*			trans	-156.7	119.9	145.5	-108.6	174	0	0	0	109.8
313	L	32.5	Very low	27.4	Very low	149 Å²	149	139 Å²	139	78%	0.78	77%	0.771	S	S	*	*			trans	-84.4	155.4	161.2	-64.3	161.3	0	0	0	108.2
314	D	25.7	Very low	27.5	Very low	133 Å²	133	138.4 Å²	138.4	71%	0.711	77%	0.77	S	S	*	*				-163.6	172.6	111.2	-140.4	-2.6	0	0	0	115.9
315	Q	27.3	Very low	27.2	Very low	168 Å²	168	136.6 Å²	136.6	79%	0.785	76%	0.763	S	S	*	*			trans	-33.8	158.2	168.2	-64.7	150	67.7	0	0	116.7
316	G	25.2	Very low	27	Very low	68 Å²	68	137.2 Å²	137.2	70%	0.701	76%	0.76	S	S	*	*			cis	131.4	136.6	3.8	0	0	0	0	0	111.8
317	M	26.7	Very low	26.9	Very low	187 Å²	187	137 Å²	137	92%	0.921	75%	0.753	S	S	*	*			trans	-141.4	146.7	179	-79.8	-62.8	-72.2	0	0	113.7
318	L	28.8	Very low	26.8	Very low	157 Å²	157	138.5 Å²	138.5	82%	0.822	76%	0.76	S	S	*	*			trans	-94.8	169.7	-173.2	-59.9	171	0	0	0	110.5
319	V	28.2	Very low	26.4	Very low	111 Å²	111	140.3 Å²	140.3	67%	0.673	76%	0.761	S	S	*	*			cis	-174.4	153.7	-9.7	130.1	0	0	0	0	107.9
320	N	24.4	Very low	26.2	Very low	133 Å²	133	132 Å²	132	71%	0.711	75%	0.751	S	S	*	*			trans	178.5	134.3	132.9	-103	-23.4	0	0	0	116.9
321	I	25.7	Very low	26.1	Very low	138 Å²	138	132.7 Å²	132.7	71%	0.708	75%	0.75	S	S	*	*				47.6	122.2	130	-65.9	171.6	0	0	0	117.4
322	Q	24.2	Very low	25.8	Very low	166 Å²	166	135.2 Å²	135.2	78%	0.776	76%	0.755	S	S	*	*			cis	-160.1	161.1	32.8	-175.3	54.4	43.7	0	0	112.4
323	Q	25.2	Very low	25.5	Very low	142 Å²	142	133.6 Å²	133.6	66%	0.664	75%	0.747	S	S	*	*			trans	-127.6	155.6	167.4	-148	-172.7	18.5	0	0	111.5
324	P	29	Very low	25.1	Very low	115 Å²	115	133.8 Å²	133.8	75%	0.747	75%	0.747	S	S	*	*				-136.9	148.4	104.8	23.4	-3.2	0	0	0	112.5
325	V	22	Very low	24.9	Very low	99 Å²	99	131.1 Å²	131.1	60%	0.6	74%	0.744	S	S	*	*				64	115.6	61.9	-173.1	0	0	0	0	110.4
326	I	23.1	Very low	24.7	Very low	151 Å²	151	129.5 Å²	129.5	77%	0.774	75%	0.746	S	S	*	*				-154.7	142.4	68.7	-66.2	167.8	0	0	0	106.7
327	Q	24	Very low	24.5	Very low	163 Å²	163	133.6 Å²	133.6	76%	0.762	75%	0.752	S	S	*	*			cis	105.7	106.8	27.6	-164.1	-176.4	17.6	0	0	114.7
328	A	24.6	Very low	24.4	Very low	89 Å²	89	130.5 Å²	130.5	74%	0.736	75%	0.748	S	S	*	*			trans	179.7	135.8	159.8	0	0	0	0	0	107.2
329	D	22.4	Very low	24.1	Very low	152 Å²	152	131.6 Å²	131.6	81%	0.813	75%	0.746	S	S	*	*			cis	72.9	121.9	34.7	-56.7	-31.2	0	0	0	114.3
330	G	24.9	Very low	23.9	Very low	67 Å²	67	134.7 Å²	134.7	69%	0.691	76%	0.756	S	S	*	*			cis	165.7	160.6	-11.3	0	0	0	0	0	115.1
331	T	25.8	Very low	23.9	Very low	132 Å²	132	134.7 Å²	134.7	81%	0.81	76%	0.756	S	S	*	*			trans	80.2	154.4	150.6	-34.9	0	0	0	0	121.8
332	L	23	Very low	23.8	Very low	148 Å²	148	133.4 Å²	133.4	78%	0.775	76%	0.759	S	S	*	*			trans	76.8	147.1	170.1	-70.8	106.7	0	0	0	119.5
333	L	23.5	Very low	24.4	Very low	138 Å²	138	133.7 Å²	133.7	72%	0.723	76%	0.76	S	S	*	*			cis	-166.1	169.7	-31.3	-113.6	-163.6	0	0	0	110.9
334	L	22.5	Very low	24.7	Very low	152 Å²	152	136.1 Å²	136.1	80%	0.796	77%	0.771	S	S	*	*			trans	-8.4	151	156	-72.2	161.7	0	0	0	119.5
335	A	22.9	Very low	24.8	Very low	78 Å²	78	133.4 Å²	133.4	65%	0.645	77%	0.765	S	S	*	*			cis	-157.9	-151.2	-1.7	0	0	0	0	0	108.8
336	T	22.5	Very low	25.2	Very low	133 Å²	133	134.8 Å²	134.8	82%	0.816	77%	0.769	S	S	*	*			cis	-164.2	175.7	15.7	-20.8	0	0	0	0	110.8
337	D	20.7	Very low	26	Very low	155 Å²	155	133 Å²	133	83%	0.829	76%	0.76	S	S	*	*			trans	-66.6	154	-176.8	-54.9	-90	0	0	0	118.1
338	S	24.2	Very low	26.7	Very low	121 Å²	121	127.1 Å²	127.1	85%	0.846	74%	0.743	S	S	*	*				-155.5	136.9	126.7	64.9	0	0	0	0	112.6
339	K	23.5	Very low	27.8	Very low	180 Å²	180	125.4 Å²	125.4	78%	0.783	72%	0.723	S	S	*	*			trans	-69.6	146.2	173.3	-82	-172.3	160.8	-145.5	0	112	D341	K339-D341 IonicContact NZ-OD2 3.53Å
340	M	23	Very low	28.8	Very low	176 Å²	176	122 Å²	122	87%	0.867	71%	0.705	S	S	*	*				-154.4	132.9	126.5	-148.4	166.9	71.7	0	0	111.2
341	D	25.1	Very low	29.6	Very low	134 Å²	134	121.3 Å²	121.3	72%	0.717	69%	0.693	S	S	*	*			trans	-83.8	127.2	179.3	-55.2	-76	0	0	0	110.5	K339	K339-D341 IonicContact NZ-OD2 3.53Å
342	S	24.5	Very low	30.2	Very low	110 Å²	110	120 Å²	120	77%	0.769	68%	0.681	S	S	*	*			trans	-155.9	106.6	160.3	65.5	0	0	0	0	111.6
343	E	35.4	Very low	31.3	Very low	172 Å²	172	114.7 Å²	114.7	80%	0.804	65%	0.654	S	S	*	*			trans	-64.5	179.9	164.2	-58.9	166.3	116.1	0	0	111
344	H	33	Very low	32.5	Very low	193 Å²	193	109.8 Å²	109.8	89%	0.894	63%	0.63	S	S	*	*			trans	91	47.7	178.1	-50.9	77.7	0	0	0	117.2
345	G	29.2	Very low	33.6	Very low	59 Å²	59	105.9 Å²	105.9	61%	0.608	61%	0.613	S	S	*	*			trans	-127.5	147.2	152	0	0	0	0	0	109.9
346	N	31.4	Very low	34.5	Very low	128 Å²	128	105.3 Å²	105.3	68%	0.684	60%	0.604	S	S	*	*	S	Bend	cis	-141.7	121.7	1	-64.9	-64.2	0	0	0	110.5
347	L	40.3	Very low	35.5	Very low	113 Å²	113	101.5 Å²	101.5	59%	0.592	58%	0.578	S	S	*	*	S	Bend	trans	-140	-11.3	164.6	-166	53.3	0	0	0	113.2	T349	L347-T349 PolarHBondContact O-N 3.49Å
348	G	39.1	Very low	36.6	Very low	39 Å²	39	95.9 Å²	95.9	40%	0.402	55%	0.553	S	S	.	*	H	α-helix	trans	-65.9	-12.4	171.9	0	0	0	0	0	114.2	L350 A351 N352	G348-L350 PolarHBondContact O-N 3.45Å; G348-A351 PolarHBondContact O-N 3.13Å; G348-N352 WeakPolarHBondContact O-CB 3.43Å; G348-N352 PolarHBondContact O-N 3.13Å; G348-N352 PolarHBondContact O-ND2 2.96Å
349	T	47.1	Very low	37.4	Very low	54 Å²	54	94.7 Å²	94.7	33%	0.331	54%	0.537	S	S	.	.	H	α-helix	trans	-60.6	-49.2	-173.6	-38.9	0	0	0	0	112.6	L347 N352 V353	L347-T349 PolarHBondContact O-N 3.49Å; T349-N352 PolarHBondContact O-N 2.91Å; T349-V353 WeakPolarHBondContact O-CB 3.47Å; T349-V353 VanDerWaalsContact O-CG2 3.29Å; T349-V353 WeakPolarHBondContact O-CG2 2.88Å; T349-V353 PolarHBondContact O-N 3.31Å
350	L	42.3	Very low	38.1	Very low	80 Å²	80	91.1 Å²	91.1	42%	0.419	53%	0.526	S	S	.	.	H	α-helix	trans	-69.1	-40.7	-179	-166.4	71.8	0	0	0	111.5	G348 V353 V354 F472	G348-L350 PolarHBondContact O-N 3.45Å; L350-V353 PolarHBondContact O-N 3.5Å; L350-V354 WeakPolarHBondContact O-CB 3.25Å; L350-V354 WeakPolarHBondContact O-CG2 3.34Å; L350-V354 PolarHBondContact O-N 3.41Å; L350-F472 HydrophobicContact CD2-CE2 4.1Å; L350-F472 HydrophobicContact CD2-CZ 4.46Å
351	A	41.6	Very low	39	Very low	53 Å²	53	85 Å²	85	44%	0.438	50%	0.501	S	S	.	.	H	α-helix	trans	-60.8	-45.1	174.1	0	0	0	0	0	111.5	G348 V354 T355	G348-A351 PolarHBondContact O-N 3.13Å; A351-V354 PolarHBondContact O-N 2.83Å; A351-T355 WeakPolarHBondContact O-CB 3.47Å; A351-T355 PolarHBondContact O-N 3.15Å; A351-T355 PolarHBondContact O-OG1 3.28Å; A351-T355 VanDerWaalsContact O-OG1 3.1Å
352	N	40.1	Very low	39.8	Very low	104 Å²	104	82.2 Å²	82.2	56%	0.556	49%	0.486	S	S	*	.	H	α-helix	trans	-69.3	-34.5	178.9	-72.1	-19.9	0	0	0	112.9	G348 T349 S356	G348-N352 WeakPolarHBondContact O-CB 3.43Å; G348-N352 PolarHBondContact O-N 3.13Å; G348-N352 PolarHBondContact O-ND2 2.96Å; T349-N352 PolarHBondContact O-N 2.91Å; N352-S356 WeakPolarHBondContact O-CB 3.27Å; N352-S356 PolarHBondContact O-N 2.92Å; N352-S356 PolarHBondContact O-OG 3.31Å
353	V	45.7	Very low	40.4	Very low	37 Å²	37	80.2 Å²	80.2	22%	0.224	47%	0.472	C	S	.	.	H	α-helix	trans	-65.6	-45.3	172	166.4	0	0	0	0	110.5	T349 L350 S356 L357 L393	T349-V353 WeakPolarHBondContact O-CB 3.47Å; T349-V353 VanDerWaalsContact O-CG2 3.29Å; T349-V353 WeakPolarHBondContact O-CG2 2.88Å; T349-V353 PolarHBondContact O-N 3.31Å; L350-V353 PolarHBondContact O-N 3.5Å; V353-S356 PolarHBondContact O-N 3.13Å; V353-L357 PolarHBondContact O-N 2.87Å; V353-L393 HydrophobicContact CG1-CD1 3.9Å; V353-L393 HydrophobicContact CG2-CD1 4.38Å; V353-L393 HydrophobicContact CG2-CD2 4.47Å
354	V	47.7	Very low	40.5	Very low	34 Å²	34	76.9 Å²	76.9	21%	0.206	46%	0.459	C	S	.	.	H	α-helix	trans	-61.4	-49.8	174.3	160.7	0	0	0	0	111.7	L350 A351 S356 L357 A358 L667	L350-V354 WeakPolarHBondContact O-CB 3.25Å; L350-V354 WeakPolarHBondContact O-CG2 3.34Å; L350-V354 PolarHBondContact O-N 3.41Å; A351-V354 PolarHBondContact O-N 2.83Å; V354-S356 VanDerWaalsContact C-N 3.26Å; V354-S356 PolarHBondContact O-N 3.36Å; V354-L357 CarbonylContact O-C 3.56Å; V354-L357 WeakPolarHBondContact O-CA 3.26Å; V354-L357 WeakPolarHBondContact O-CB 3.41Å; V354-L357 PolarHBondContact O-N 2.91Å; V354-L357 VanDerWaalsContact O-N 3.1Å; V354-A358 PolarHBondContact O-N 2.97Å; V354-L667 HydrophobicContact CG1-CD1 4.34Å; V354-L667 HydrophobicContact CG1-CG 4.06Å; V354-L667 WeakPolarHBondContact CG1-O 3.33Å; V354-L667 HydrophobicContact CG2-CG 4.33Å
355	T	47.3	Very low	41	Very low	71 Å²	71	73.2 Å²	73.2	44%	0.436	44%	0.44	S	S	.	.	H	α-helix	trans	-65.9	-31.1	179.6	-64	0	0	0	0	111.7	A351 A358 N359	A351-T355 WeakPolarHBondContact O-CB 3.47Å; A351-T355 PolarHBondContact O-N 3.15Å; A351-T355 PolarHBondContact O-OG1 3.28Å; A351-T355 VanDerWaalsContact O-OG1 3.1Å; T355-A358 PolarHBondContact O-N 2.7Å; T355-N359 VanDerWaalsContact O-CB 3.31Å; T355-N359 WeakPolarHBondContact O-CB 3.32Å; T355-N359 PolarHBondContact O-N 3.15Å; T355-N359 PolarHBondContact O-ND2 3.12Å; T355-N359 PolarHBondContact O-OD1 3.37Å
356	S	41.1	Very low	41.5	Very low	65 Å²	65	77.4 Å²	77.4	46%	0.455	44%	0.444	S	S	.	.	H	α-helix	trans	-68.6	-40.6	170.9	-65.4	0	0	0	0	111.8	N352 V353 V354 L360	N352-S356 WeakPolarHBondContact O-CB 3.27Å; N352-S356 PolarHBondContact O-N 2.92Å; N352-S356 PolarHBondContact O-OG 3.31Å; V353-S356 PolarHBondContact O-N 3.13Å; V354-S356 VanDerWaalsContact C-N 3.26Å; V354-S356 PolarHBondContact O-N 3.36Å; S356-L360 WeakPolarHBondContact O-CB 3.07Å; S356-L360 WeakPolarHBondContact O-CD1 3.46Å; S356-L360 WeakPolarHBondContact O-CG 3.28Å; S356-L360 PolarHBondContact O-N 3.43Å
357	L	43.2	Very low	41.8	Very low	54 Å²	54	74.8 Å²	74.8	28%	0.283	44%	0.436	S	S	.	.	H	α-helix	trans	-61.7	-42.6	170.7	-113.2	72.8	0	0	0	112.1	V353 V354 L360 S361 F390	V353-L357 PolarHBondContact O-N 2.87Å; V354-L357 CarbonylContact O-C 3.56Å; V354-L357 WeakPolarHBondContact O-CA 3.26Å; V354-L357 WeakPolarHBondContact O-CB 3.41Å; V354-L357 PolarHBondContact O-N 2.91Å; V354-L357 VanDerWaalsContact O-N 3.1Å; L357-L360 PolarHBondContact O-N 2.97Å; L357-S361 WeakPolarHBondContact O-CB 3.42Å; L357-S361 PolarHBondContact O-N 3.1Å; L357-F390 HydrophobicContact CD2-CE2 4.32Å; L357-F390 HydrophobicContact CD2-CZ 4.2Å
358	A	43.9	Very low	41.7	Very low	37 Å²	37	74.6 Å²	74.6	31%	0.306	44%	0.435	S	S	.	.	H	α-helix	trans	-62.1	-50.9	176.8	0	0	0	0	0	111.3	V354 T355 L360 S361 D362	V354-A358 PolarHBondContact O-N 2.97Å; T355-A358 PolarHBondContact O-N 2.7Å; A358-L360 VanDerWaalsContact C-N 3.3Å; A358-L360 PolarHBondContact O-N 2.81Å; A358-S361 CarbonylContact O-C 3.58Å; A358-S361 WeakPolarHBondContact O-CA 3.43Å; A358-S361 WeakPolarHBondContact O-CB 3.41Å; A358-S361 PolarHBondContact O-N 3.42Å; A358-S361 PolarHBondContact O-OG 2.84Å; A358-D362 PolarHBondContact O-N 3.35Å
359	N	40.5	Very low	41.7	Very low	95 Å²	95	79.7 Å²	79.7	51%	0.508	45%	0.453	S	S	.	.	H	α-helix	trans	-61.7	-35.3	177.8	-68.8	-11.1	0	0	0	112.5	T355 S363	T355-N359 VanDerWaalsContact O-CB 3.31Å; T355-N359 WeakPolarHBondContact O-CB 3.32Å; T355-N359 PolarHBondContact O-N 3.15Å; T355-N359 PolarHBondContact O-ND2 3.12Å; T355-N359 PolarHBondContact O-OD1 3.37Å; N359-S363 WeakPolarHBondContact O-CB 3.48Å; N359-S363 PolarHBondContact O-N 3.02Å; N359-S363 PolarHBondContact O-OG 2.83Å
360	L	38.9	Very low	41.3	Very low	106 Å²	106	84 Å²	84	56%	0.555	47%	0.474	S	S	*	.	H	α-helix	trans	-67.5	-39.9	170.9	-74.7	166.5	0	0	0	111.6	S356 L357 A358 D362 S363 L364	S356-L360 WeakPolarHBondContact O-CB 3.07Å; S356-L360 WeakPolarHBondContact O-CD1 3.46Å; S356-L360 WeakPolarHBondContact O-CG 3.28Å; S356-L360 PolarHBondContact O-N 3.43Å; L357-L360 PolarHBondContact O-N 2.97Å; A358-L360 VanDerWaalsContact C-N 3.3Å; A358-L360 PolarHBondContact O-N 2.81Å; L360-D362 VanDerWaalsContact C-N 3.35Å; L360-S363 PolarHBondContact O-N 2.88Å; L360-L364 WeakPolarHBondContact O-CG 3.48Å; L360-L364 PolarHBondContact O-N 3.37Å
361	S	41.5	Very low	41.2	Very low	47 Å²	47	83.6 Å²	83.6	33%	0.329	49%	0.489	S	S	.	.	H	α-helix	trans	-66.5	-34.6	176	86.5	0	0	0	0	112.8	L357 A358 L364 K365	L357-S361 WeakPolarHBondContact O-CB 3.42Å; L357-S361 PolarHBondContact O-N 3.1Å; A358-S361 CarbonylContact O-C 3.58Å; A358-S361 WeakPolarHBondContact O-CA 3.43Å; A358-S361 WeakPolarHBondContact O-CB 3.41Å; A358-S361 PolarHBondContact O-N 3.42Å; A358-S361 PolarHBondContact O-OG 2.84Å; S361-L364 PolarHBondContact O-N 3.06Å; S361-K365 WeakPolarHBondContact O-CG 3.27Å; S361-K365 PolarHBondContact O-N 3.27Å; S361-K365 VanDerWaalsContact O-N 3.07Å
362	D	42.6	Very low	40.6	Very low	75 Å²	75	88.4 Å²	88.4	40%	0.401	51%	0.507	S	S	.	.	H	α-helix	trans	-77.3	-36.2	176.1	-72.4	-35	0	0	0	111.6	A358 L360 L364 K365 E366	A358-D362 PolarHBondContact O-N 3.35Å; L360-D362 VanDerWaalsContact C-N 3.35Å; D362-L364 VanDerWaalsContact C-N 3.27Å; D362-L364 PolarHBondContact O-N 2.89Å; D362-K365 WeakPolarHBondContact O-CB 3.48Å; D362-K365 PolarHBondContact O-N 3.45Å; D362-K365 VanDerWaalsContact O-N 3.1Å; D362-K365 WeakPolarHBondContact OD1-CD 3.34Å; D362-K365 WeakPolarHBondContact OD1-CE 3.45Å; D362-K365 IonicContact OD1-NZ 3.95Å; D362-K365 PolarHBondContact OD1-NZ 3.19Å; D362-E366 PolarHBondContact O-N 3.25Å
363	S	37.3	Very low	40.6	Very low	68 Å²	68	89.5 Å²	89.5	48%	0.476	52%	0.518	S	S	.	.	H	α-helix	trans	-58.9	-38.9	168.6	-58.7	0	0	0	0	111.8	N359 L360 E366 S367	N359-S363 WeakPolarHBondContact O-CB 3.48Å; N359-S363 PolarHBondContact O-N 3.02Å; N359-S363 PolarHBondContact O-OG 2.83Å; L360-S363 PolarHBondContact O-N 2.88Å; S363-E366 PolarHBondContact O-N 2.74Å; S363-S367 PolarHBondContact O-N 3.44Å
364	L	37.3	Very low	40	Very low	103 Å²	103	93 Å²	93	54%	0.539	54%	0.544	S	S	.	.	H	α-helix	trans	-65.2	-41.3	172.8	-79.5	163.4	0	0	0	111.9	L360 S361 D362 S367 L368	L360-L364 WeakPolarHBondContact O-CG 3.48Å; L360-L364 PolarHBondContact O-N 3.37Å; S361-L364 PolarHBondContact O-N 3.06Å; D362-L364 VanDerWaalsContact C-N 3.27Å; D362-L364 PolarHBondContact O-N 2.89Å; L364-S367 PolarHBondContact O-N 2.97Å; L364-S367 PolarHBondContact O-OG 3.02Å; L364-L368 WeakPolarHBondContact O-CG 3.49Å; L364-L368 PolarHBondContact O-N 3.04Å
365	K	43	Very low	39.8	Very low	115 Å²	115	98.5 Å²	98.5	50%	0.5	57%	0.572	S	S	.	*	H	α-helix	trans	-62.9	-41.5	173.6	-67.8	167	-154.2	158.7	0	112.5	S361 D362 S367 L368 N369	S361-K365 WeakPolarHBondContact O-CG 3.27Å; S361-K365 PolarHBondContact O-N 3.27Å; S361-K365 VanDerWaalsContact O-N 3.07Å; D362-K365 WeakPolarHBondContact O-CB 3.48Å; D362-K365 PolarHBondContact O-N 3.45Å; D362-K365 VanDerWaalsContact O-N 3.1Å; D362-K365 WeakPolarHBondContact OD1-CD 3.34Å; D362-K365 WeakPolarHBondContact OD1-CE 3.45Å; D362-K365 IonicContact OD1-NZ 3.95Å; D362-K365 PolarHBondContact OD1-NZ 3.19Å; K365-S367 VanDerWaalsContact C-N 3.3Å; K365-S367 PolarHBondContact O-N 3.13Å; K365-L368 PolarHBondContact O-N 2.84Å; K365-L368 VanDerWaalsContact O-N 3.16Å; K365-N369 PolarHBondContact O-N 2.77Å
366	E	40.3	Very low	39.3	Very low	148 Å²	148	100.5 Å²	100.5	69%	0.692	59%	0.589	S	S	*	*	H	α-helix	trans	-62.2	-38.7	175.1	-71.3	-164.6	143.4	0	0	111.6	D362 S363 L368 N369	D362-E366 PolarHBondContact O-N 3.25Å; S363-E366 PolarHBondContact O-N 2.74Å; E366-L368 VanDerWaalsContact C-N 3.25Å; E366-L368 PolarHBondContact O-N 3.14Å; E366-N369 PolarHBondContact O-N 3.29Å
367	S	37.8	Very low	39	Very low	72 Å²	72	105.4 Å²	105.4	50%	0.503	61%	0.605	S	S	.	*	H	α-helix	trans	-66.2	-23.5	175.4	76	0	0	0	0	114.2	S363 L364 K365	S363-S367 PolarHBondContact O-N 3.44Å; L364-S367 PolarHBondContact O-N 2.97Å; L364-S367 PolarHBondContact O-OG 3.02Å; K365-S367 VanDerWaalsContact C-N 3.3Å; K365-S367 PolarHBondContact O-N 3.13Å
368	L	38.1	Very low	38.8	Very low	110 Å²	110	108.8 Å²	108.8	58%	0.576	62%	0.619	S	S	*	*	H	α-helix	trans	-84.6	-12.5	176.4	-70.2	169.5	0	0	0	114.1	L364 K365 E366 N370	L364-L368 WeakPolarHBondContact O-CG 3.49Å; L364-L368 PolarHBondContact O-N 3.04Å; K365-L368 PolarHBondContact O-N 2.84Å; K365-L368 VanDerWaalsContact O-N 3.16Å; E366-L368 VanDerWaalsContact C-N 3.25Å; E366-L368 PolarHBondContact O-N 3.14Å; L368-N370 VanDerWaalsContact C-N 3.34Å
369	N	38.2	Very low	38.5	Very low	145 Å²	145	115.3 Å²	115.3	78%	0.775	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.7	-13.3	176.4	-102	-23.7	0	0	0	113.6	K365 E366	K365-N369 PolarHBondContact O-N 2.77Å; E366-N369 PolarHBondContact O-N 3.29Å
370	N	39	Very low	38.3	Very low	146 Å²	146	118.7 Å²	118.7	78%	0.781	66%	0.656	S	S	*	*	S	Bend	trans	-99.8	84.8	169.9	-73.5	-44.5	0	0	0	109.1	L368	L368-N370 VanDerWaalsContact C-N 3.34Å
371	G	40.8	Very low	38	Very low	71 Å²	71	118.3 Å²	118.3	73%	0.732	65%	0.652	S	S	*	*			trans	-73	138.2	-167.5	0	0	0	0	0	115.6
372	D	28.2	Very low	37.9	Very low	153 Å²	153	118.1 Å²	118.1	82%	0.818	65%	0.653	S	S	*	*			trans	-144.2	-179.3	136.5	-151	-22	0	0	0	109.4
373	T	39.3	Very low	37.7	Very low	127 Å²	127	117.1 Å²	117.1	78%	0.779	66%	0.655	S	S	*	*			trans	-111.2	109.1	-152.3	44.3	0	0	0	0	114.1
374	S	34.8	Very low	38	Very low	111 Å²	111	117 Å²	117	78%	0.776	65%	0.654	S	S	*	*			trans	-167.7	96.2	152.2	45.1	0	0	0	0	112.4
375	D	42.7	Very low	38.2	Very low	150 Å²	150	116.1 Å²	116.1	80%	0.802	65%	0.647	S	S	*	*			trans	-97.8	115.7	-177	-173.4	10.4	0	0	0	111.4
376	S	35.8	Very low	38.4	Very low	113 Å²	113	113.9 Å²	113.9	79%	0.79	64%	0.64	S	S	*	*	S	Bend	trans	171.1	-19.7	169.3	-80.4	0	0	0	0	114.2
377	Q	36.3	Very low	38.7	Very low	167 Å²	167	110 Å²	110	78%	0.78	63%	0.626	S	S	*	*	S	Bend	trans	-118.2	-4.7	-167.8	-70.4	-171.7	-35.2	0	0	115.8
378	Q	37.8	Very low	39	Very low	126 Å²	126	113.5 Å²	113.5	59%	0.589	63%	0.629	S	S	*	*	H	α-helix	trans	-84.6	-32.7	-174.1	-74.3	-179.7	-48	0	0	114.4	Q381 A382	Q378-Q381 PolarHBondContact O-N 2.82Å; Q378-A382 WeakPolarHBondContact O-CB 3.34Å; Q378-A382 PolarHBondContact O-N 2.93Å
379	E	38.4	Very low	39.2	Very low	173 Å²	173	110.1 Å²	110.1	81%	0.808	62%	0.617	S	S	*	*	H	α-helix	trans	-65.9	-43.2	-179.7	-68.1	-168.9	124.7	0	0	112.7	Q381 A382 A383	E379-Q381 VanDerWaalsContact C-N 3.32Å; E379-Q381 PolarHBondContact O-N 3.09Å; E379-A382 PolarHBondContact O-N 3.21Å; E379-A383 PolarHBondContact O-N 2.94Å
380	E	35.4	Very low	39.5	Very low	166 Å²	166	105.7 Å²	105.7	78%	0.776	59%	0.591	S	S	*	*	H	α-helix	trans	-66	-36.3	178.7	-166.1	169.9	-140.7	0	0	111.4	S384	E380-S384 VanDerWaalsContact O-CB 3.31Å; E380-S384 WeakPolarHBondContact O-CB 3.47Å; E380-S384 PolarHBondContact O-N 3.48Å
381	Q	33.9	Very low	39.7	Very low	99 Å²	99	102.1 Å²	102.1	46%	0.463	57%	0.571	S	S	.	*	H	α-helix	trans	-67.9	-42.7	172.9	-173.1	64.9	21.7	0	0	111.9	Q378 E379 S384 E385	Q378-Q381 PolarHBondContact O-N 2.82Å; E379-Q381 VanDerWaalsContact C-N 3.32Å; E379-Q381 PolarHBondContact O-N 3.09Å; Q381-S384 WeakPolarHBondContact O-CB 3.49Å; Q381-S384 PolarHBondContact O-N 3.11Å; Q381-E385 PolarHBondContact NE2-OE1 3.34Å; Q381-E385 WeakPolarHBondContact O-CG 3.29Å; Q381-E385 PolarHBondContact O-N 3.23Å
382	A	39	Very low	39.9	Very low	42 Å²	42	102.4 Å²	102.4	35%	0.347	56%	0.559	S	S	.	*	H	α-helix	trans	-63.4	-43.4	177.2	0	0	0	0	0	111.9	Q378 E379 S384 E385 I386	Q378-A382 WeakPolarHBondContact O-CB 3.34Å; Q378-A382 PolarHBondContact O-N 2.93Å; E379-A382 PolarHBondContact O-N 3.21Å; A382-S384 VanDerWaalsContact C-N 3.32Å; A382-S384 PolarHBondContact O-N 2.94Å; A382-E385 PolarHBondContact O-N 2.92Å; A382-I386 VanDerWaalsContact O-CG1 3.29Å; A382-I386 WeakPolarHBondContact O-CG1 3.5Å; A382-I386 PolarHBondContact O-N 3.27Å
383	A	38.5	Very low	40.6	Very low	54 Å²	54	97.9 Å²	97.9	45%	0.446	54%	0.535	S	S	.	.	H	α-helix	trans	-62.1	-39.1	174	0	0	0	0	0	112.3	E379 T387	E379-A383 PolarHBondContact O-N 2.94Å; A383-T387 VanDerWaalsContact O-CB 3.29Å; A383-T387 WeakPolarHBondContact O-CB 3.4Å; A383-T387 PolarHBondContact O-N 2.99Å; A383-T387 PolarHBondContact O-OG1 3.16Å
384	S	43	Very low	40.7	Very low	67 Å²	67	94.5 Å²	94.5	47%	0.469	52%	0.519	S	S	.	.	H	α-helix	trans	-63.4	-41.8	174	-174.9	0	0	0	0	112.4	E380 Q381 A382 T387 R388	E380-S384 VanDerWaalsContact O-CB 3.31Å; E380-S384 WeakPolarHBondContact O-CB 3.47Å; E380-S384 PolarHBondContact O-N 3.48Å; Q381-S384 WeakPolarHBondContact O-CB 3.49Å; Q381-S384 PolarHBondContact O-N 3.11Å; A382-S384 VanDerWaalsContact C-N 3.32Å; A382-S384 PolarHBondContact O-N 2.94Å; S384-T387 WeakPolarHBondContact O-CB 3.38Å; S384-T387 PolarHBondContact O-N 3.34Å; S384-R388 WeakPolarHBondContact O-CB 3.46Å; S384-R388 PolarHBondContact O-N 3.45Å
385	E	41.3	Very low	40.8	Very low	84 Å²	84	95 Å²	95	39%	0.393	51%	0.508	S	S	.	.	H	α-helix	trans	-75.4	-35.3	-179.3	-69.7	-171.4	-174.3	0	0	113.6	Q381 A382 R388 A389	Q381-E385 PolarHBondContact NE2-OE1 3.34Å; Q381-E385 WeakPolarHBondContact O-CG 3.29Å; Q381-E385 PolarHBondContact O-N 3.23Å; A382-E385 PolarHBondContact O-N 2.92Å; E385-R388 PolarHBondContact O-N 2.91Å; E385-R388 IonicContact OE1-NH2 2.68Å; E385-R388 IonicContact OE2-NH2 2.69Å; E385-A389 PolarHBondContact O-N 2.89Å
386	I	47.5	Very low	40.6	Very low	68 Å²	68	93 Å²	93	35%	0.349	50%	0.501	S	S	.	.	H	α-helix	trans	-63.2	-45.8	169	-66.5	169.2	0	0	0	110.1	A382 R388 A389 F390	A382-I386 VanDerWaalsContact O-CG1 3.29Å; A382-I386 WeakPolarHBondContact O-CG1 3.5Å; A382-I386 PolarHBondContact O-N 3.27Å; I386-R388 VanDerWaalsContact C-N 3.33Å; I386-R388 PolarHBondContact O-N 3.17Å; I386-A389 WeakPolarHBondContact O-CB 3.37Å; I386-A389 PolarHBondContact O-N 3Å; I386-A389 VanDerWaalsContact O-N 3.13Å; I386-F390 HydrophobicContact CG2-CD2 3.91Å; I386-F390 HydrophobicContact CG2-CE2 3.71Å; I386-F390 WeakPolarHBondContact O-CD2 3.1Å; I386-F390 PolarHBondContact O-N 2.94Å; I386-F390 VanDerWaalsContact O-N 3.1Å
387	T	46.2	Very low	40.4	Very low	65 Å²	65	93.7 Å²	93.7	40%	0.399	49%	0.49	S	S	.	.	H	α-helix	trans	-57.1	-46.8	174.1	-61.1	0	0	0	0	110.8	A383 S384 A389 F390 D391	A383-T387 VanDerWaalsContact O-CB 3.29Å; A383-T387 WeakPolarHBondContact O-CB 3.4Å; A383-T387 PolarHBondContact O-N 2.99Å; A383-T387 PolarHBondContact O-OG1 3.16Å; S384-T387 WeakPolarHBondContact O-CB 3.38Å; S384-T387 PolarHBondContact O-N 3.34Å; T387-A389 VanDerWaalsContact C-N 3.3Å; T387-A389 PolarHBondContact O-N 3.35Å; T387-F390 PolarHBondContact O-N 3.35Å; T387-D391 VanDerWaalsContact O-CB 3.24Å; T387-D391 WeakPolarHBondContact O-CB 3.41Å; T387-D391 PolarHBondContact O-N 3.41Å
388	R	44.5	Very low	40.3	Very low	147 Å²	147	90.4 Å²	90.4	56%	0.555	48%	0.477	S	S	*	.	H	α-helix	trans	-61.3	-34.7	176.5	-171.5	-178.7	67.7	-162.5	-5.3	112.7	S384 E385 I386 T392	S384-R388 WeakPolarHBondContact O-CB 3.46Å; S384-R388 PolarHBondContact O-N 3.45Å; E385-R388 PolarHBondContact O-N 2.91Å; E385-R388 IonicContact OE1-NH2 2.68Å; E385-R388 IonicContact OE2-NH2 2.69Å; I386-R388 VanDerWaalsContact C-N 3.33Å; I386-R388 PolarHBondContact O-N 3.17Å; R388-T392 VanDerWaalsContact O-CB 3.3Å; R388-T392 WeakPolarHBondContact O-CB 3.37Å; R388-T392 PolarHBondContact O-N 3.3Å; R388-T392 PolarHBondContact O-OG1 3.3Å
389	A	42.9	Very low	40	Very low	39 Å²	39	89 Å²	89	32%	0.322	48%	0.479	S	S	.	.	H	α-helix	trans	-66.9	-47.6	176.4	0	0	0	0	0	111.6	E385 I386 T387 D391 T392 L393	E385-A389 PolarHBondContact O-N 2.89Å; I386-A389 WeakPolarHBondContact O-CB 3.37Å; I386-A389 PolarHBondContact O-N 3Å; I386-A389 VanDerWaalsContact O-N 3.13Å; T387-A389 VanDerWaalsContact C-N 3.3Å; T387-A389 PolarHBondContact O-N 3.35Å; A389-D391 PolarHBondContact O-N 3.21Å; A389-T392 PolarHBondContact O-N 2.87Å; A389-L393 WeakPolarHBondContact O-CG 3.41Å; A389-L393 PolarHBondContact O-N 2.98Å
390	F	44.8	Very low	39.7	Very low	52 Å²	52	86.5 Å²	86.5	23%	0.228	48%	0.478	C	S	.	.	H	α-helix	trans	-63.4	-40.4	174	-76.3	-68.6	0	0	0	112.5	L357 I386 T387 T392 L393 A394 Y679	L357-F390 HydrophobicContact CD2-CE2 4.32Å; L357-F390 HydrophobicContact CD2-CZ 4.2Å; I386-F390 HydrophobicContact CG2-CD2 3.91Å; I386-F390 HydrophobicContact CG2-CE2 3.71Å; I386-F390 WeakPolarHBondContact O-CD2 3.1Å; I386-F390 PolarHBondContact O-N 2.94Å; I386-F390 VanDerWaalsContact O-N 3.1Å; T387-F390 PolarHBondContact O-N 3.35Å; F390-T392 VanDerWaalsContact C-N 3.28Å; F390-T392 PolarHBondContact O-N 3.19Å; F390-L393 PolarHBondContact O-N 3.2Å; F390-A394 WeakPolarHBondContact O-CB 3.5Å; F390-A394 PolarHBondContact O-N 3.35Å; F390-Y679 HydrophobicContact CB-CD1 3.88Å; F390-Y679 HydrophobicContact CB-CE1 3.69Å; F390-Y679 HydrophobicContact CG-CD1 4.33Å; F390-Y679 HydrophobicContact CG-CE1 4.37Å
391	D	42.3	Very low	39.4	Very low	71 Å²	71	87.8 Å²	87.8	38%	0.38	48%	0.484	S	S	.	.	H	α-helix	trans	-69.6	-26.1	178.4	-155.2	57.5	0	0	0	112.3	T387 A389 K395	T387-D391 VanDerWaalsContact O-CB 3.24Å; T387-D391 WeakPolarHBondContact O-CB 3.41Å; T387-D391 PolarHBondContact O-N 3.41Å; A389-D391 PolarHBondContact O-N 3.21Å; D391-K395 WeakPolarHBondContact O-CD 3.36Å; D391-K395 VanDerWaalsContact O-CG 3.25Å; D391-K395 WeakPolarHBondContact O-CG 3.29Å; D391-K395 PolarHBondContact O-N 3.12Å; D391-K395 WeakPolarHBondContact OD2-CE 3.31Å; D391-K395 IonicContact OD2-NZ 2.72Å; D391-K395 PolarHBondContact OD2-NZ 3.15Å
392	T	45.1	Very low	39.2	Very low	76 Å²	76	88.2 Å²	88.2	47%	0.466	51%	0.505	S	S	.	.	H	α-helix	trans	-75.6	-43.9	170.5	-59.6	0	0	0	0	111.3	R388 A389 F390 A394 K395 V396	R388-T392 VanDerWaalsContact O-CB 3.3Å; R388-T392 WeakPolarHBondContact O-CB 3.37Å; R388-T392 PolarHBondContact O-N 3.3Å; R388-T392 PolarHBondContact O-OG1 3.3Å; A389-T392 PolarHBondContact O-N 2.87Å; F390-T392 VanDerWaalsContact C-N 3.28Å; F390-T392 PolarHBondContact O-N 3.19Å; T392-A394 VanDerWaalsContact C-N 3.34Å; T392-A394 PolarHBondContact O-N 3.13Å; T392-K395 PolarHBondContact O-N 3.18Å; T392-K395 VanDerWaalsContact O-N 3.17Å; T392-V396 WeakPolarHBondContact O-CG2 3.36Å; T392-V396 PolarHBondContact O-N 3.49Å
393	L	44	Very low	38.8	Very low	59 Å²	59	89.8 Å²	89.8	31%	0.309	53%	0.525	S	S	.	.	H	α-helix	trans	-59	-45.4	173.9	-73.8	166.9	0	0	0	111.1	V353 A389 F390 K395 V396 F397	V353-L393 HydrophobicContact CG1-CD1 3.9Å; V353-L393 HydrophobicContact CG2-CD1 4.38Å; V353-L393 HydrophobicContact CG2-CD2 4.47Å; A389-L393 WeakPolarHBondContact O-CG 3.41Å; A389-L393 PolarHBondContact O-N 2.98Å; F390-L393 PolarHBondContact O-N 3.2Å; L393-K395 VanDerWaalsContact C-N 3.26Å; L393-K395 PolarHBondContact O-N 3.47Å; L393-V396 PolarHBondContact O-N 2.91Å; L393-F397 VanDerWaalsContact O-CD2 3.28Å; L393-F397 WeakPolarHBondContact O-CD2 3.39Å; L393-F397 PolarHBondContact O-N 3.08Å; L393-F397 VanDerWaalsContact O-N 3.07Å
394	A	39.9	Very low	38.1	Very low	56 Å²	56	91.7 Å²	91.7	46%	0.463	54%	0.54	S	S	.	.	H	α-helix	trans	-56.8	-37.6	175.7	0	0	0	0	0	112.9	F390 T392 N398	F390-A394 WeakPolarHBondContact O-CB 3.5Å; F390-A394 PolarHBondContact O-N 3.35Å; T392-A394 VanDerWaalsContact C-N 3.34Å; T392-A394 PolarHBondContact O-N 3.13Å; A394-N398 PolarHBondContact O-N 2.89Å
395	K	38.3	Very low	37.5	Very low	122 Å²	122	97.9 Å²	97.9	53%	0.53	56%	0.562	S	S	.	*	H	α-helix	trans	-78	-15.8	176.6	-70.6	163.6	-171.5	159.7	0	114.4	D391 T392 L393 N398	D391-K395 WeakPolarHBondContact O-CD 3.36Å; D391-K395 VanDerWaalsContact O-CG 3.25Å; D391-K395 WeakPolarHBondContact O-CG 3.29Å; D391-K395 PolarHBondContact O-N 3.12Å; D391-K395 WeakPolarHBondContact OD2-CE 3.31Å; D391-K395 IonicContact OD2-NZ 2.72Å; D391-K395 PolarHBondContact OD2-NZ 3.15Å; T392-K395 PolarHBondContact O-N 3.18Å; T392-K395 VanDerWaalsContact O-N 3.17Å; L393-K395 VanDerWaalsContact C-N 3.26Å; L393-K395 PolarHBondContact O-N 3.47Å; K395-N398 CarbonylContact O-C 3.55Å
396	V	37.6	Very low	36.8	Very low	108 Å²	108	102.9 Å²	102.9	66%	0.655	59%	0.585	S	S	*	*	H	α-helix	trans	-82.1	-37.3	171.3	169	0	0	0	0	110.6	T392 L393	T392-V396 WeakPolarHBondContact O-CG2 3.36Å; T392-V396 PolarHBondContact O-N 3.49Å; L393-V396 PolarHBondContact O-N 2.91Å
397	F	32.5	Very low	35.8	Very low	127 Å²	127	107.1 Å²	107.1	56%	0.557	61%	0.608	S	S	*	*	H	α-helix	trans	-79	-25	173.8	-71.1	-72.8	0	0	0	113.7	L393	L393-F397 VanDerWaalsContact O-CD2 3.28Å; L393-F397 WeakPolarHBondContact O-CD2 3.39Å; L393-F397 PolarHBondContact O-N 3.08Å; L393-F397 VanDerWaalsContact O-N 3.07Å
398	N	33.3	Very low	34.7	Very low	97 Å²	97	112 Å²	112	52%	0.519	63%	0.631	S	S	.	*	S	Bend	trans	-127.4	91.5	174.4	-98.7	-79.8	0	0	0	110.7	A394 K395 E684	A394-N398 PolarHBondContact O-N 2.89Å; K395-N398 CarbonylContact O-C 3.55Å; N398-E684 PolarHBondContact ND2-OE1 2.98Å
399	P	32.6	Very low	33.8	Very low	97 Å²	97	109.1 Å²	109.1	63%	0.63	64%	0.639	S	S	*	*			trans	-72.9	147	178.3	30.3	-34.9	0	0	0	111.9	E401	P399-E401 PolarHBondContact O-N 2.92Å
400	P	30.2	Very low	33	Very low	121 Å²	121	116.8 Å²	116.8	79%	0.786	67%	0.668	S	S	*	*			trans	-79	110.7	-177.5	30.5	-33.9	0	0	0	112.3	A402	P400-A402 PolarHBondContact O-N 3.18Å
401	E	30.4	Very low	32	Very low	192 Å²	192	123.6 Å²	123.6	90%	0.897	70%	0.698	S	S	*	*			trans	-67.5	120.5	168.7	-72.3	-152.6	141.2	0	0	111.5	P399 G403	P399-E401 PolarHBondContact O-N 2.92Å; E401-G403 VanDerWaalsContact C-N 3.29Å; E401-G403 PolarHBondContact O-N 3.35Å
402	A	29.3	Very low	31.2	Very low	109 Å²	109	125.6 Å²	125.6	90%	0.901	72%	0.717	S	S	*	*			trans	-84.1	63.9	-176.6	0	0	0	0	0	113.1	P400	P400-A402 PolarHBondContact O-N 3.18Å
403	G	30.2	Very low	30.3	Very low	74 Å²	74	130.5 Å²	130.5	76%	0.763	74%	0.735	S	S	*	*			trans	71.4	99.6	153.2	0	0	0	0	0	118.4	E401	E401-G403 VanDerWaalsContact C-N 3.29Å; E401-G403 PolarHBondContact O-N 3.35Å
404	A	25.1	Very low	29.3	Very low	94 Å²	94	133.2 Å²	133.2	78%	0.777	76%	0.757	S	S	*	*			trans	-138.6	123.1	154.8	0	0	0	0	0	110.2	Q406	A404-Q406 PolarHBondContact O-N 3Å
405	E	29.9	Very low	28.9	Very low	198 Å²	198	135.5 Å²	135.5	93%	0.925	77%	0.765	S	S	*	*			trans	-75.5	109.5	173.5	-67.6	-175.7	133.9	0	0	110.3
406	Q	27.1	Very low	28.9	Very low	189 Å²	189	134.4 Å²	134.4	88%	0.883	77%	0.773	S	S	*	*			trans	-135.4	128.7	159.8	-69.1	-162.4	5	0	0	111.6	A404	A404-Q406 PolarHBondContact O-N 3Å
407	N	25.1	Very low	28.8	Very low	156 Å²	156	131.7 Å²	131.7	83%	0.834	77%	0.767	S	S	*	*			trans	-84.2	124	169.3	-76.9	-110.4	0	0	0	108.6
408	L	24	Very low	29.1	Very low	167 Å²	167	126.9 Å²	126.9	87%	0.874	75%	0.748	S	S	*	*			trans	-165.2	128.1	136.3	-132.6	67.7	0	0	0	114
409	A	24.4	Very low	29.4	Very low	87 Å²	87	126 Å²	126	72%	0.719	75%	0.746	S	S	*	*			trans	40.4	98.1	153.8	0	0	0	0	0	118.9	K411	A409-K411 PolarHBondContact O-N 3.27Å
410	E	26.2	Very low	30	Very low	200 Å²	200	124.4 Å²	124.4	94%	0.935	73%	0.732	S	S	*	*			trans	-57.3	100.3	157.2	-68.6	-178.4	127.2	0	0	110.4	S412	E410-S412 PolarHBondContact O-N 3.09Å
411	K	23.4	Very low	30.4	Very low	196 Å²	196	122.8 Å²	122.8	85%	0.852	71%	0.714	S	S	*	*			trans	-83.1	67.3	176.4	-162	179.3	-175.2	-178.1	0	110.3	A409 Q413	A409-K411 PolarHBondContact O-N 3.27Å; K411-Q413 PolarHBondContact O-N 2.91Å
412	S	26.4	Very low	30.7	Very low	112 Å²	112	119.5 Å²	119.5	78%	0.783	70%	0.702	S	S	*	*			trans	-50.8	114.6	174.9	-177.2	0	0	0	0	110.3	E410 C414	E410-S412 PolarHBondContact O-N 3.09Å; S412-C414 PolarHBondContact O-N 2.75Å; S412-C414 VanDerWaalsContact O-N 3.15Å
413	Q	26.1	Very low	31.1	Very low	179 Å²	179	119.1 Å²	119.1	84%	0.836	68%	0.683	S	S	*	*			trans	-75.4	104.1	175.1	-85.4	-176.6	-39.6	0	0	108.6	K411 V415	K411-Q413 PolarHBondContact O-N 2.91Å; Q413-V415 PolarHBondContact O-N 2.81Å
414	C	23.2	Very low	31.3	Very low	116 Å²	116	119.2 Å²	119.2	78%	0.784	69%	0.685	S	S	*	*			trans	-58.3	107.2	171.5	179.6	0	0	0	0	110	S412	S412-C414 PolarHBondContact O-N 2.75Å; S412-C414 VanDerWaalsContact O-N 3.15Å
415	V	31.1	Very low	31.6	Very low	104 Å²	104	125.4 Å²	125.4	63%	0.63	69%	0.688	S	S	*	*			trans	-88.2	112.8	162.3	179.8	0	0	0	0	106.8	Q413 G417	Q413-V415 PolarHBondContact O-N 2.81Å; V415-G417 PolarHBondContact O-N 2.98Å
416	S	38.8	Very low	31.7	Very low	99 Å²	99	123 Å²	123	69%	0.692	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-16	114.6	-173.5	-68.7	0	0	0	0	118.2	T440	S416-T440 WeakPolarHBondContact O-CG2 3.48Å
417	G	34.7	Very low	32.5	Very low	51 Å²	51	123 Å²	123	53%	0.526	68%	0.682	S	S	.	*	T	Hydrogen-bonded Turn	trans	101.2	-12.2	144.5	0	0	0	0	0	118.2	V415	V415-G417 PolarHBondContact O-N 2.98Å
418	T	40.5	Very low	33.2	Very low	27 Å²	27	124.7 Å²	124.7	17%	0.166	69%	0.685	C	S	.	*			trans	-107.3	110	178.7	-53.3	0	0	0	0	111.1	V434 P437 P482	T418-V434 HydrophobicContact CG2-CG1 3.49Å; T418-V434 VanDerWaalsContact CG2-CG1 3.49Å; T418-P437 PolarHBondContact OG1-O 3.33Å; T418-P482 HydrophobicContact CG2-CB 4.35Å; T418-P482 HydrophobicContact CG2-CG 4.42Å
419	T	38.1	Very low	33.9	Very low	78 Å²	78	119.2 Å²	119.2	48%	0.479	66%	0.658	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.5	133	175	-60.3	0	0	0	0	109.6	Q421 E435	T419-Q421 HydrophobicContact CG2-CG 4.26Å; T419-E435 PolarHBondContact N-O 3.35Å; T419-E435 PolarHBondContact O-N 3.27Å
420	I	46.2	Very low	34.5	Very low	63 Å²	63	119.4 Å²	119.4	32%	0.323	65%	0.652	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.6	117.2	174	-64.8	177.4	0	0	0	108.8	I432 V434 P482 A486	I420-I432 HydrophobicContact CG2-CG2 3.76Å; I420-V434 HydrophobicContact CG1-CG2 4.47Å; I420-P482 HydrophobicContact CD1-CB 3.91Å; I420-A486 HydrophobicContact CD1-CB 4.18Å
421	Q	37.6	Very low	35.4	Very low	87 Å²	87	113.7 Å²	113.7	41%	0.407	63%	0.627	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-100.3	123	174.8	-64	-155.3	39.2	0	0	111.2	T419 I423 E433 E435	T419-Q421 HydrophobicContact CG2-CG 4.26Å; Q421-I423 HydrophobicContact CB-CG1 4.38Å; Q421-E433 PolarHBondContact N-O 3.34Å; Q421-E433 PolarHBondContact O-N 2.89Å; Q421-E435 PolarHBondContact NE2-OE2 2.91Å
422	L	38.1	Very low	37.1	Very low	124 Å²	124	105.2 Å²	105.2	65%	0.649	59%	0.591	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.1	85.4	173.8	-79.6	166.4	0	0	0	110.2	G424 P430 I432	L422-G424 PolarHBondContact O-N 3.43Å; L422-P430 HydrophobicContact CD2-CB 4.33Å; L422-I432 HydrophobicContact CD2-CG1 4.37Å
423	I	36.4	Very low	38.2	Very low	100 Å²	100	105.1 Å²	105.1	51%	0.513	58%	0.578	S	S	.	*			trans	-81.1	86.6	-179.5	-54.7	-179.9	0	0	0	110.1	Q421 R425	Q421-I423 HydrophobicContact CB-CG1 4.38Å; I423-R425 PolarHBondContact O-N 2.95Å
424	G	35	Very low	39.6	Very low	77 Å²	77	97.5 Å²	97.5	79%	0.794	54%	0.544	S	S	*	.			trans	-69.6	108.1	176.6	0	0	0	0	0	113	L422	L422-G424 PolarHBondContact O-N 3.43Å
425	R	31.4	Very low	40.6	Very low	223 Å²	223	97 Å²	97	84%	0.842	53%	0.53	S	S	*	.			trans	-147.3	99.5	171.2	-143.3	176.1	-167.1	169.2	7.1	113.8	I423	I423-R425 PolarHBondContact O-N 2.95Å
426	D	31.4	Very low	41.9	Very low	149 Å²	149	94 Å²	94	80%	0.797	52%	0.519	S	S	*	.	S	Bend	trans	54.7	73.1	160.2	-61.6	-34.1	0	0	0	119.5
427	Q	44	Very low	43	Very low	189 Å²	189	91.8 Å²	91.8	88%	0.883	50%	0.503	S	S	*	.	S	Bend	trans	70.9	142.2	156.8	-57.1	-178.1	0.9	0	0	118.2
428	E	39.8	Very low	44.9	Very low	191 Å²	191	89.5 Å²	89.5	89%	0.893	48%	0.478	S	S	*	.	S	Bend	trans	72.5	132.5	-167.5	-57.6	172.2	-170.2	0	0	112.5
429	T	38.4	Very low	46.8	Very low	52 Å²	52	88.7 Å²	88.7	32%	0.319	47%	0.473	S	S	.	.	S	Bend	trans	-9.3	131.3	-164.4	50.3	0	0	0	0	120.8	I431 E610	T429-I431 PolarHBondContact O-N 2.69Å; T429-I431 VanDerWaalsContact O-N 3.12Å; T429-E610 HydrophobicContact CG2-CB 3.69Å
430	P	37.4	Very low	48.3	Very low	90 Å²	90	85.9 Å²	85.9	58%	0.584	46%	0.456	S	S	*	.			trans	-66.4	114.3	179.6	28.9	-34.2	0	0	0	110.8	L422 I432 Q614	L422-P430 HydrophobicContact CD2-CB 4.33Å; P430-I432 PolarHBondContact O-N 3.25Å; P430-Q614 PolarHBondContact O-NE2 2.95Å
431	I	45.5	Very low	49.4	Very low	81 Å²	81	88.7 Å²	88.7	42%	0.415	47%	0.471	S	S	.	.			trans	-71.7	115.4	-179.9	-57.4	176.7	0	0	0	109	T429 E433	T429-I431 PolarHBondContact O-N 2.69Å; T429-I431 VanDerWaalsContact O-N 3.12Å; I431-E433 HydrophobicContact CG2-CG 4.05Å; I431-E433 PolarHBondContact O-N 3.18Å
432	I	58.5	Low	50.5	Low	18 Å²	18	88.2 Å²	88.2	9%	0.092	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	101.6	175	-59	161.5	0	0	0	107.6	I420 L422 P430 V434 A486 F618	I420-I432 HydrophobicContact CG2-CG2 3.76Å; L422-I432 HydrophobicContact CD2-CG1 4.37Å; P430-I432 PolarHBondContact O-N 3.25Å; I432-V434 HydrophobicContact CG2-CG2 4.11Å; I432-A486 HydrophobicContact CD1-CB 3.83Å; I432-A486 VanDerWaalsContact CD1-O 3.25Å; I432-A486 WeakPolarHBondContact CD1-O 3.35Å; I432-A486 HydrophobicContact CG2-CB 4Å; I432-F618 HydrophobicContact CB-CZ 4.18Å; I432-F618 HydrophobicContact CG2-CZ 3.98Å
433	E	49.3	Very low	52.1	Low	109 Å²	109	82.9 Å²	82.9	51%	0.509	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	115.7	170	-67.5	-165.8	154.1	0	0	109.4	Q421 I431	Q421-E433 PolarHBondContact N-O 3.34Å; Q421-E433 PolarHBondContact O-N 2.89Å; I431-E433 HydrophobicContact CG2-CG 4.05Å; I431-E433 PolarHBondContact O-N 3.18Å
434	V	56.3	Low	53.7	Low	20 Å²	20	79 Å²	79	12%	0.121	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	104.3	177.1	-177.8	0	0	0	0	107.8	T418 I420 I432 A483 F618 K621	T418-V434 HydrophobicContact CG2-CG1 3.49Å; T418-V434 VanDerWaalsContact CG2-CG1 3.49Å; I420-V434 HydrophobicContact CG1-CG2 4.47Å; I432-V434 HydrophobicContact CG2-CG2 4.11Å; V434-A483 HydrophobicContact CG2-CB 4.01Å; V434-F618 HydrophobicContact CG2-CE1 3.65Å; V434-F618 HydrophobicContact CG2-CZ 3.96Å; V434-K621 PolarHBondContact O-NZ 3.22Å
435	E	44.8	Very low	54.9	Low	106 Å²	106	77.9 Å²	77.9	50%	0.495	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	128.7	179.9	-172.7	173	-143.2	0	0	109.4	T419 Q421	T419-E435 PolarHBondContact N-O 3.35Å; T419-E435 PolarHBondContact O-N 3.27Å; Q421-E435 PolarHBondContact NE2-OE2 2.91Å
436	G	57.5	Low	56.9	Low	39 Å²	39	68.1 Å²	68.1	40%	0.402	38%	0.382	S	S	.	.	S	Bend	trans	94.2	-179.8	-161.3	0	0	0	0	0	112.5	K621	G436-K621 PolarHBondContact O-NZ 3.27Å
437	P	63	Low	58.5	Low	54 Å²	54	67.6 Å²	67.6	35%	0.351	37%	0.373	S	S	.	.			trans	-69.7	156.8	-176.2	31.1	-36.3	0	0	0	112.3	T418 L439 E625	T418-P437 PolarHBondContact OG1-O 3.33Å; P437-L439 WeakPolarHBondContact CB-O 3.31Å; P437-E625 WeakPolarHBondContact CA-OE1 3.47Å
438	L	74.1	Confident	60	Low	2 Å²	2	59.3 Å²	59.3	1%	0.01	34%	0.335	C	S	.	.	S	Bend	trans	-72.3	-34	175.8	-173.1	69	0	0	0	112	A483 F600 F618 K621 A622 E625	L438-A483 HydrophobicContact CD1-CB 3.46Å; L438-A483 VanDerWaalsContact CD1-CB 3.46Å; L438-F600 HydrophobicContact CD1-CE2 4.36Å; L438-F600 HydrophobicContact CD2-CD2 4.31Å; L438-F600 HydrophobicContact CD2-CE2 4.07Å; L438-F600 HydrophobicContact CG-CE2 4.48Å; L438-F618 WeakPolarHBondContact CD2-O 3.25Å; L438-K621 HydrophobicContact CB-CD 4.32Å; L438-K621 HydrophobicContact CB-CG 4.4Å; L438-A622 HydrophobicContact CD2-CB 3.58Å; L438-E625 VanDerWaalsContact CB-OE2 3.26Å; L438-E625 WeakPolarHBondContact CB-OE2 3.35Å; L438-E625 PolarHBondContact N-OE1 3.34Å; L438-E625 PolarHBondContact N-OE2 3.46Å
439	L	79	Confident	61.3	Low	11 Å²	11	53.3 Å²	53.3	6%	0.058	31%	0.311	C	S	.	.	S	Bend	trans	-120.8	135	176.1	-59.7	177.4	0	0	0	109.8	P437 H443 W477 I481 A592 Y593 A596	P437-L439 WeakPolarHBondContact CB-O 3.31Å; L439-H443 HydrophobicContact CB-CB 4.39Å; L439-H443 HydrophobicContact CD2-CB 4.17Å; L439-W477 HydrophobicContact CD2-CZ2 4.32Å; L439-I481 HydrophobicContact CD2-CD1 3.86Å; L439-I481 HydrophobicContact CD2-CG1 3.94Å; L439-A592 HydrophobicContact CD1-CB 3.87Å; L439-Y593 HydrophobicContact CD1-CD1 3.79Å; L439-Y593 HydrophobicContact CD1-CE1 4Å; L439-Y593 HydrophobicContact CD1-CG 4.32Å; L439-Y593 HydrophobicContact CG-CE1 4.45Å; L439-A596 HydrophobicContact CD1-CB 4.19Å
440	T	71.6	Confident	62.6	Low	18 Å²	18	52.3 Å²	52.3	11%	0.11	30%	0.303	C	S	.	.			trans	-98.4	163.3	170.6	60.3	0	0	0	0	110.3	S416 S442 H443	S416-T440 WeakPolarHBondContact O-CG2 3.48Å; T440-S442 PolarHBondContact O-N 3.49Å; T440-S442 PolarHBondContact OG1-OG 2.76Å; T440-H443 WeakPolarHBondContact O-CB 3.33Å; T440-H443 PolarHBondContact O-N 3.42Å; T440-H443 PolarHBondContact OG1-CE1 2.96Å; T440-H443 PolarHBondContact OG1-ND1 3.5Å
441	D	67.8	Low	63.6	Low	122 Å²	122	49 Å²	49	65%	0.652	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-55.9	-27.7	-176.5	-56.3	-34.5	0	0	0	113.7	H443 V444	D441-H443 PolarHBondContact O-N 3.27Å; D441-V444 WeakPolarHBondContact O-CB 3.49Å; D441-V444 PolarHBondContact O-N 3.42Å; D441-V444 VanDerWaalsContact O-N 3.14Å
442	S	61.3	Low	63.7	Low	78 Å²	78	50.8 Å²	50.8	55%	0.545	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-64.1	-23.9	173.9	60.2	0	0	0	0	113.9	T440 V444	T440-S442 PolarHBondContact O-N 3.49Å; T440-S442 PolarHBondContact OG1-OG 2.76Å; S442-V444 VanDerWaalsContact C-N 3.34Å
443	H	72.5	Confident	63.2	Low	12 Å²	12	55.3 Å²	55.3	6%	0.056	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-84	-8.6	176.7	-65.4	85.9	0	0	0	113.3	L439 T440 D441 W477 S480 I481	L439-H443 HydrophobicContact CB-CB 4.39Å; L439-H443 HydrophobicContact CD2-CB 4.17Å; T440-H443 WeakPolarHBondContact O-CB 3.33Å; T440-H443 PolarHBondContact O-N 3.42Å; T440-H443 PolarHBondContact OG1-CE1 2.96Å; T440-H443 PolarHBondContact OG1-ND1 3.5Å; D441-H443 PolarHBondContact O-N 3.27Å; H443-W477 PolarHBondContact O-NE1 2.98Å; H443-S480 PolarHBondContact CD2-OG 2.95Å; H443-S480 VanDerWaalsContact NE2-C 3.27Å; H443-S480 PolarHBondContact NE2-O 3.48Å; H443-S480 PolarHBondContact NE2-OG 3.21Å; H443-I481 PolarHBondContact NE2-N 2.82Å
444	V	68.9	Low	63.3	Low	18 Å²	18	55.6 Å²	55.6	11%	0.109	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-28.4	176.6	-175.3	0	0	0	0	110.6	D441 S442 F446 Y589	D441-V444 WeakPolarHBondContact O-CB 3.49Å; D441-V444 PolarHBondContact O-N 3.42Å; D441-V444 VanDerWaalsContact O-N 3.14Å; S442-V444 VanDerWaalsContact C-N 3.34Å; V444-F446 PolarHBondContact O-N 2.85Å; V444-Y589 HydrophobicContact CB-CE1 4.48Å; V444-Y589 HydrophobicContact CG1-CD1 4.17Å; V444-Y589 HydrophobicContact CG1-CD2 3.88Å; V444-Y589 HydrophobicContact CG1-CE1 4.26Å; V444-Y589 HydrophobicContact CG1-CE2 3.95Å; V444-Y589 HydrophobicContact CG1-CG 3.97Å; V444-Y589 HydrophobicContact CG2-CD1 3.57Å; V444-Y589 HydrophobicContact CG2-CE1 3.57Å; V444-Y589 HydrophobicContact CG2-CG 4.17Å
445	G	61.4	Low	63.3	Low	53 Å²	53	57.3 Å²	57.3	55%	0.546	35%	0.346	S	S	.	.			trans	-70.2	106.6	176.2	0	0	0	0	0	112.5
446	F	72.7	Confident	63.5	Low	18 Å²	18	61 Å²	61	8%	0.079	36%	0.363	C	S	.	.			trans	-122.4	68.1	175.3	-162.9	-99.4	0	0	0	110.1	V444 L470 L473 W477 Q510 K595	V444-F446 PolarHBondContact O-N 2.85Å; F446-L470 HydrophobicContact CE1-CD1 3.68Å; F446-L470 HydrophobicContact CZ-CD1 3.85Å; F446-L473 HydrophobicContact CD1-CD2 4.27Å; F446-L473 HydrophobicContact CD2-CD2 4.16Å; F446-L473 HydrophobicContact CD2-CG 4.16Å; F446-L473 HydrophobicContact CE1-CD2 4.04Å; F446-L473 HydrophobicContact CE2-CD2 3.94Å; F446-L473 HydrophobicContact CE2-CG 3.75Å; F446-L473 HydrophobicContact CG-CD2 4.33Å; F446-L473 HydrophobicContact CZ-CD2 3.87Å; F446-L473 HydrophobicContact CZ-CG 4.05Å; F446-W477 HydrophobicContact CD2-CG 4.48Å; F446-W477 HydrophobicContact CE2-CB 4.44Å; F446-Q510 HydrophobicContact CD1-CG 4.49Å; F446-K595 VanDerWaalsContact CD1-NZ 3.34Å; F446-K595 VanDerWaalsContact CE2-NZ 3.29Å
447	K	65.4	Low	63.5	Low	139 Å²	139	68.1 Å²	68.1	60%	0.604	38%	0.38	S	S	*	.			trans	-84	126.8	176.8	-63.1	-178.7	-174.7	175.4	0	109.9	L473 D692	K447-L473 VanDerWaalsContact O-CD2 3.28Å; K447-L473 WeakPolarHBondContact O-CD2 3.39Å; K447-D692 IonicContact NZ-OD1 3.24Å; K447-D692 IonicContact NZ-OD2 2.7Å; K447-D692 PolarHBondContact NZ-OD2 3.14Å
448	L	74.2	Confident	63.6	Low	14 Å²	14	68.6 Å²	68.6	7%	0.073	38%	0.379	C	S	.	.			trans	-104.2	115.3	170.4	-179.2	68.9	0	0	0	110.1	M450 R469 L470 L473 C511 M515	L448-M450 HydrophobicContact CD2-SD 3.72Å; L448-M450 HydrophobicContact CG-SD 4.13Å; L448-M450 PolarHBondContact O-N 3.07Å; L448-R469 HydrophobicContact CD1-CB 3.82Å; L448-L470 HydrophobicContact CD1-CB 4.25Å; L448-L470 HydrophobicContact CD2-CB 4.31Å; L448-L470 HydrophobicContact CD2-CD1 4.4Å; L448-L473 HydrophobicContact CB-CD2 4.33Å; L448-L473 HydrophobicContact CD1-CD2 4.26Å; L448-C511 HydrophobicContact CB-CB 4.47Å; L448-C511 HydrophobicContact CD2-CB 4.41Å; L448-M515 HydrophobicContact CD2-CE 3.55Å; L448-M515 HydrophobicContact CD2-CG 3.85Å; L448-M515 HydrophobicContact CD2-SD 3.62Å
449	T	67.9	Low	63.4	Low	65 Å²	65	72.4 Å²	72.4	40%	0.399	40%	0.399	S	S	.	.			trans	-84.1	112.6	174.7	-53.1	0	0	0	0	109.5	R469	T449-R469 WeakPolarHBondContact O-CD 3.44Å; T449-R469 PolarHBondContact O-NH1 3.34Å
450	M	66	Low	63.2	Low	32 Å²	32	75.9 Å²	75.9	16%	0.158	42%	0.42	C	S	.	.			trans	-77.7	159.9	-179.8	-63.8	-63	-69.3	0	0	112.3	L448 Y462 S466 R469 V514 M515	L448-M450 HydrophobicContact CD2-SD 3.72Å; L448-M450 HydrophobicContact CG-SD 4.13Å; L448-M450 PolarHBondContact O-N 3.07Å; M450-Y462 HydrophobicContact CE-CE1 4.05Å; M450-Y462 HydrophobicContact CE-CE2 4.44Å; M450-Y462 VanDerWaalsContact CE-OH 3.23Å; M450-Y462 WeakPolarHBondContact CE-OH 3.5Å; M450-S466 WeakPolarHBondContact CE-OG 3.34Å; M450-R469 VanDerWaalsContact C-NH1 3.3Å; M450-R469 PolarHBondContact O-NH1 3.06Å; M450-V514 HydrophobicContact CG-CG1 3.51Å; M450-V514 HydrophobicContact SD-CG1 4.09Å; M450-M515 HydrophobicContact CE-CB 4.43Å; M450-M515 HydrophobicContact CE-CG 3.76Å; M450-M515 HydrophobicContact SD-CG 3.68Å
451	P	58.8	Low	63.3	Low	20 Å²	20	81 Å²	81	13%	0.13	44%	0.443	C	S	.	.			trans	-63.1	137.8	166.8	-13.4	27.3	0	0	0	110.6	Y462 E465	P451-Y462 HydrophobicContact CB-CD2 4.17Å; P451-Y462 HydrophobicContact CB-CE2 3.96Å; P451-Y462 HydrophobicContact CG-CD2 3.89Å; P451-Y462 HydrophobicContact CG-CE2 3.76Å; P451-E465 HydrophobicContact CG-CG 4.43Å
452	S	47.2	Very low	63.9	Low	118 Å²	118	75.9 Å²	75.9	83%	0.825	42%	0.415	S	S	*	.	S	Bend	trans	-125.2	139.5	177.5	-172.1	0	0	0	0	109.9
453	P	47.7	Very low	64.8	Low	113 Å²	113	72.8 Å²	72.8	73%	0.734	39%	0.392	S	S	*	.	S	Bend	cis	-70.2	151.5	-2.9	31	-35.9	0	0	0	112.4	P455	P453-P455 WeakPolarHBondContact O-CD 3.26Å
454	M	50.5	Low	65.2	Low	116 Å²	116	72.4 Å²	72.4	57%	0.571	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-64.5	126.1	171.8	-178.7	161.7	60	0	0	109.3	N516	M454-N516 PolarHBondContact SD-ND2 3.42Å
455	P	58	Low	65.8	Low	56 Å²	56	74.9 Å²	74.9	36%	0.364	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-60.4	141.8	-176.3	-27.6	36.4	0	0	0	113.7	P453 Y457 Y462	P453-P455 WeakPolarHBondContact O-CD 3.26Å; P455-Y457 VanDerWaalsContact CB-O 3.31Å; P455-Y457 WeakPolarHBondContact CB-O 3.42Å; P455-Y457 PolarHBondContact O-N 2.97Å; P455-Y462 VanDerWaalsContact CD-CE2 3.45Å; P455-Y462 HydrophobicContact CG-CD2 3.74Å; P455-Y462 HydrophobicContact CG-CE2 4.21Å; P455-Y462 HydrophobicContact CG-CG 4.04Å
456	E	48.7	Very low	66.8	Low	183 Å²	183	72.4 Å²	72.4	86%	0.855	38%	0.375	S	S	*	.	S	Bend	trans	-61.3	-23.3	173.9	-63	-173.9	135.6	0	0	112.9
457	Y	57.5	Low	67.4	Low	189 Å²	189	71.7 Å²	71.7	74%	0.741	37%	0.373	S	S	*	.	S	Bend	trans	-133.1	137	176.9	-59.1	-79.1	0	0	0	110.5	P455 N459	P455-Y457 VanDerWaalsContact CB-O 3.31Å; P455-Y457 WeakPolarHBondContact CB-O 3.42Å; P455-Y457 PolarHBondContact O-N 2.97Å; Y457-N459 PolarHBondContact O-N 3.05Å
458	L	65.1	Low	68.3	Low	63 Å²	63	65.6 Å²	65.6	33%	0.33	35%	0.347	S	S	.	.			trans	-69.3	103.3	-178.1	-169.6	83.3	0	0	0	111.4	Y462 I463 I520 A523	L458-Y462 HydrophobicContact CD1-CD1 4.11Å; L458-Y462 HydrophobicContact CD1-CE1 4.49Å; L458-I463 HydrophobicContact CD1-CG1 4.19Å; L458-I463 HydrophobicContact CD2-CD1 3.71Å; L458-I463 HydrophobicContact CD2-CG1 4.05Å; L458-I463 HydrophobicContact CG-CD1 4.09Å; L458-I463 HydrophobicContact CG-CG1 4.02Å; L458-I520 HydrophobicContact CD1-CG1 3.88Å; L458-I520 HydrophobicContact CD2-CB 4.33Å; L458-I520 HydrophobicContact CD2-CG1 4.05Å; L458-A523 HydrophobicContact CD2-CB 3.63Å
459	N	70.3	Confident	68.8	Low	82 Å²	82	66.4 Å²	66.4	44%	0.439	35%	0.349	S	S	.	.			trans	-88.7	141.4	176	-172.3	-13.3	0	0	0	110.9	Y457 H461 Y462 I463	Y457-N459 PolarHBondContact O-N 3.05Å; N459-H461 PolarHBondContact O-N 2.93Å; N459-H461 PolarHBondContact OD1-CD2 3.18Å; N459-H461 PolarHBondContact OD1-N 3.45Å; N459-H461 VanDerWaalsContact OD1-N 3.12Å; N459-Y462 WeakPolarHBondContact O-CB 3.24Å; N459-Y462 PolarHBondContact O-N 3.37Å; N459-I463 PolarHBondContact O-N 3.49Å; N459-I463 VanDerWaalsContact O-N 3.16Å
460	V	73.3	Confident	69.8	Low	84 Å²	84	63.3 Å²	63.3	51%	0.509	33%	0.33	S	S	.	.	H	α-helix	trans	-52	-41.2	172.1	179	0	0	0	0	111.3	Y462 I463 C464	V460-Y462 VanDerWaalsContact C-N 3.3Å; V460-Y462 PolarHBondContact O-N 2.99Å; V460-I463 WeakPolarHBondContact O-CB 3.41Å; V460-I463 PolarHBondContact O-N 3.48Å; V460-C464 PolarHBondContact O-N 2.85Å; V460-C464 PolarHBondContact O-SG 2.96Å; V460-C464 VanDerWaalsContact O-SG 3.41Å
461	H	74.7	Confident	70.9	Confident	125 Å²	125	62 Å²	62	58%	0.579	32%	0.324	S	S	*	.	H	α-helix	trans	-58.6	-38.9	176.4	-69.4	-76.4	0	0	0	112.8	N459 C464 E465	N459-H461 PolarHBondContact O-N 2.93Å; N459-H461 PolarHBondContact OD1-CD2 3.18Å; N459-H461 PolarHBondContact OD1-N 3.45Å; N459-H461 VanDerWaalsContact OD1-N 3.12Å; H461-C464 PolarHBondContact O-N 3.2Å; H461-E465 VanDerWaalsContact O-CB 3.26Å; H461-E465 WeakPolarHBondContact O-CB 3.5Å; H461-E465 PolarHBondContact O-N 2.92Å
462	Y	79.6	Confident	72.2	Confident	16 Å²	16	63.1 Å²	63.1	6%	0.063	33%	0.327	C	S	.	.	H	α-helix	trans	-70.7	-37	177.7	178.2	-95.3	0	0	0	112.1	M450 P451 P455 L458 N459 V460 S466	M450-Y462 HydrophobicContact CE-CE1 4.05Å; M450-Y462 HydrophobicContact CE-CE2 4.44Å; M450-Y462 VanDerWaalsContact CE-OH 3.23Å; M450-Y462 WeakPolarHBondContact CE-OH 3.5Å; P451-Y462 HydrophobicContact CB-CD2 4.17Å; P451-Y462 HydrophobicContact CB-CE2 3.96Å; P451-Y462 HydrophobicContact CG-CD2 3.89Å; P451-Y462 HydrophobicContact CG-CE2 3.76Å; P455-Y462 VanDerWaalsContact CD-CE2 3.45Å; P455-Y462 HydrophobicContact CG-CD2 3.74Å; P455-Y462 HydrophobicContact CG-CE2 4.21Å; P455-Y462 HydrophobicContact CG-CG 4.04Å; L458-Y462 HydrophobicContact CD1-CD1 4.11Å; L458-Y462 HydrophobicContact CD1-CE1 4.49Å; N459-Y462 WeakPolarHBondContact O-CB 3.24Å; N459-Y462 PolarHBondContact O-N 3.37Å; V460-Y462 VanDerWaalsContact C-N 3.3Å; V460-Y462 PolarHBondContact O-N 2.99Å; Y462-S466 VanDerWaalsContact O-CB 3.25Å; Y462-S466 WeakPolarHBondContact O-CB 3.46Å; Y462-S466 PolarHBondContact O-N 3.23Å; Y462-S466 PolarHBondContact O-OG 2.71Å
463	I	81.1	Confident	74	Confident	13 Å²	13	59 Å²	59	7%	0.067	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-52.2	173	-56.6	168.7	0	0	0	109.4	L458 N459 V460 S466 A467 I520 F663	L458-I463 HydrophobicContact CD1-CG1 4.19Å; L458-I463 HydrophobicContact CD2-CD1 3.71Å; L458-I463 HydrophobicContact CD2-CG1 4.05Å; L458-I463 HydrophobicContact CG-CD1 4.09Å; L458-I463 HydrophobicContact CG-CG1 4.02Å; N459-I463 PolarHBondContact O-N 3.49Å; N459-I463 VanDerWaalsContact O-N 3.16Å; V460-I463 WeakPolarHBondContact O-CB 3.41Å; V460-I463 PolarHBondContact O-N 3.48Å; I463-S466 PolarHBondContact O-N 2.9Å; I463-A467 WeakPolarHBondContact O-CB 3.24Å; I463-A467 PolarHBondContact O-N 3.37Å; I463-I520 HydrophobicContact CD1-CG2 4.2Å; I463-I520 HydrophobicContact CG1-CG1 4.45Å; I463-I520 HydrophobicContact CG1-CG2 4.27Å; I463-I520 HydrophobicContact CG2-CG2 4Å; I463-F663 HydrophobicContact CG2-CD1 3.96Å; I463-F663 HydrophobicContact CG2-CE1 4.38Å
464	C	80.1	Confident	76	Confident	4 Å²	4	53.8 Å²	53.8	3%	0.027	26%	0.262	C	S	.	.	H	α-helix	trans	-66.6	-39.4	-177.8	-65.2	0	0	0	0	113.1	V460 H461 S468 F663 L667	V460-C464 PolarHBondContact O-N 2.85Å; V460-C464 PolarHBondContact O-SG 2.96Å; V460-C464 VanDerWaalsContact O-SG 3.41Å; H461-C464 PolarHBondContact O-N 3.2Å; C464-S468 WeakPolarHBondContact O-CB 3.39Å; C464-S468 PolarHBondContact O-N 2.94Å; C464-S468 PolarHBondContact O-OG 3.21Å; C464-F663 WeakPolarHBondContact CA-O 3.34Å; C464-F663 PolarHBondContact SG-O 3.4Å; C464-L667 HydrophobicContact CB-CB 3.86Å; C464-L667 HydrophobicContact CB-CD1 4.18Å
465	E	81.1	Confident	77.8	Confident	70 Å²	70	48.3 Å²	48.3	33%	0.327	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-45.6	175.4	-167.5	-165.8	158.4	0	0	111	P451 H461 S468 R469	P451-E465 HydrophobicContact CG-CG 4.43Å; H461-E465 VanDerWaalsContact O-CB 3.26Å; H461-E465 WeakPolarHBondContact O-CB 3.5Å; H461-E465 PolarHBondContact O-N 2.92Å; E465-S468 WeakPolarHBondContact O-CB 3.29Å; E465-S468 PolarHBondContact O-N 3.31Å; E465-R469 WeakPolarHBondContact O-CG 3.46Å; E465-R469 PolarHBondContact O-N 3.13Å; E465-R469 IonicContact OE1-CZ 2.57Å; E465-R469 VanDerWaalsContact OE1-CZ 3.26Å; E465-R469 IonicContact OE1-NE 3.91Å; E465-R469 PolarHBondContact OE1-NE 3.38Å; E465-R469 IonicContact OE1-NH2 2.75Å; E465-R469 PolarHBondContact OE1-NH2 3.08Å
466	S	82.4	Confident	79	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.007	22%	0.224	C	C	.	.	H	α-helix	trans	-63.4	-43.4	178.2	-56.5	0	0	0	0	111.9	M450 Y462 I463 S468 R469 L470	M450-S466 WeakPolarHBondContact CE-OG 3.34Å; Y462-S466 VanDerWaalsContact O-CB 3.25Å; Y462-S466 WeakPolarHBondContact O-CB 3.46Å; Y462-S466 PolarHBondContact O-N 3.23Å; Y462-S466 PolarHBondContact O-OG 2.71Å; I463-S466 PolarHBondContact O-N 2.9Å; S466-S468 VanDerWaalsContact C-N 3.31Å; S466-S468 PolarHBondContact O-N 2.85Å; S466-R469 PolarHBondContact O-N 2.82Å; S466-L470 WeakPolarHBondContact O-CB 3.38Å; S466-L470 PolarHBondContact O-N 2.84Å
467	A	85.9	Confident	80.9	Confident	3 Å²	3	39.1 Å²	39.1	3%	0.025	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-35.7	174.1	0	0	0	0	0	112.3	I463 L470 L471 F504 F663 F664	I463-A467 WeakPolarHBondContact O-CB 3.24Å; I463-A467 PolarHBondContact O-N 3.37Å; A467-L470 PolarHBondContact O-N 3.41Å; A467-L471 WeakPolarHBondContact O-CB 3.49Å; A467-L471 PolarHBondContact O-N 3.07Å; A467-F504 HydrophobicContact CB-CE2 4.13Å; A467-F504 HydrophobicContact CB-CZ 4.03Å; A467-F663 HydrophobicContact CB-CB 3.85Å; A467-F663 HydrophobicContact CB-CD1 4.06Å; A467-F663 HydrophobicContact CB-CG 4.32Å; A467-F664 HydrophobicContact CB-CE1 4.01Å; A467-F664 HydrophobicContact CB-CE2 4.43Å; A467-F664 HydrophobicContact CB-CZ 3.87Å
468	S	84.4	Confident	82.4	Confident	10 Å²	10	30.1 Å²	30.1	7%	0.07	15%	0.151	C	C	.	.	H	α-helix	trans	-66.9	-49.2	175.4	-58.6	0	0	0	0	111.7	C464 E465 S466 L470 L471 F472 L667	C464-S468 WeakPolarHBondContact O-CB 3.39Å; C464-S468 PolarHBondContact O-N 2.94Å; C464-S468 PolarHBondContact O-OG 3.21Å; E465-S468 WeakPolarHBondContact O-CB 3.29Å; E465-S468 PolarHBondContact O-N 3.31Å; S466-S468 VanDerWaalsContact C-N 3.31Å; S466-S468 PolarHBondContact O-N 2.85Å; S468-L470 PolarHBondContact O-N 3.43Å; S468-L471 PolarHBondContact O-N 2.98Å; S468-L471 VanDerWaalsContact O-N 3.13Å; S468-F472 WeakPolarHBondContact O-CD2 3.46Å; S468-F472 PolarHBondContact O-N 2.9Å; S468-L667 WeakPolarHBondContact OG-CD2 3.3Å
469	R	85.3	Confident	83.3	Confident	32 Å²	32	30.8 Å²	30.8	12%	0.121	15%	0.149	C	C	.	.	H	α-helix	trans	-54.2	-43.9	174	-68.7	173.4	-179.1	-136.8	5.7	110.8	L448 T449 M450 E465 S466 L473	L448-R469 HydrophobicContact CD1-CB 3.82Å; T449-R469 WeakPolarHBondContact O-CD 3.44Å; T449-R469 PolarHBondContact O-NH1 3.34Å; M450-R469 VanDerWaalsContact C-NH1 3.3Å; M450-R469 PolarHBondContact O-NH1 3.06Å; E465-R469 WeakPolarHBondContact O-CG 3.46Å; E465-R469 PolarHBondContact O-N 3.13Å; E465-R469 IonicContact OE1-CZ 2.57Å; E465-R469 VanDerWaalsContact OE1-CZ 3.26Å; E465-R469 IonicContact OE1-NE 3.91Å; E465-R469 PolarHBondContact OE1-NE 3.38Å; E465-R469 IonicContact OE1-NH2 2.75Å; E465-R469 PolarHBondContact OE1-NH2 3.08Å; S466-R469 PolarHBondContact O-N 2.82Å; R469-L473 VanDerWaalsContact O-CB 3.3Å; R469-L473 WeakPolarHBondContact O-CB 3.29Å; R469-L473 PolarHBondContact O-N 3.29Å
470	L	87.9	Confident	84	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.3	-41.4	176.6	-179.5	66.2	0	0	0	113.4	F446 L448 S466 A467 S468 S474 F504 L508 M515	F446-L470 HydrophobicContact CE1-CD1 3.68Å; F446-L470 HydrophobicContact CZ-CD1 3.85Å; L448-L470 HydrophobicContact CD1-CB 4.25Å; L448-L470 HydrophobicContact CD2-CB 4.31Å; L448-L470 HydrophobicContact CD2-CD1 4.4Å; S466-L470 WeakPolarHBondContact O-CB 3.38Å; S466-L470 PolarHBondContact O-N 2.84Å; A467-L470 PolarHBondContact O-N 3.41Å; S468-L470 PolarHBondContact O-N 3.43Å; L470-S474 WeakPolarHBondContact O-CB 3.05Å; L470-S474 PolarHBondContact O-N 3.39Å; L470-S474 PolarHBondContact O-OG 2.79Å; L470-F504 HydrophobicContact CB-CE2 4.33Å; L470-F504 HydrophobicContact CD2-CD2 4Å; L470-F504 HydrophobicContact CD2-CE2 3.7Å; L470-F504 HydrophobicContact CD2-CZ 4.21Å; L470-F504 HydrophobicContact CG-CD2 4.19Å; L470-F504 HydrophobicContact CG-CE2 4.15Å; L470-L508 HydrophobicContact CD2-CB 3.74Å; L470-L508 HydrophobicContact CD2-CD1 4.11Å; L470-L508 HydrophobicContact CD2-CG 4.35Å; L470-M515 HydrophobicContact CD1-CE 4.4Å; L470-M515 HydrophobicContact CD2-CE 3.85Å; L470-M515 HydrophobicContact CD2-SD 4.01Å
471	L	88.8	Confident	84.6	Confident	5 Å²	5	25.8 Å²	25.8	3%	0.026	12%	0.124	C	C	.	.	H	α-helix	trans	-63.8	-51.6	177.2	-175.6	70.9	0	0	0	110.4	A467 S468 L473 S474 M475 W500 F504 F664 I673 I680	A467-L471 WeakPolarHBondContact O-CB 3.49Å; A467-L471 PolarHBondContact O-N 3.07Å; S468-L471 PolarHBondContact O-N 2.98Å; S468-L471 VanDerWaalsContact O-N 3.13Å; L471-L473 VanDerWaalsContact C-N 3.34Å; L471-L473 PolarHBondContact O-N 2.81Å; L471-S474 WeakPolarHBondContact O-CB 3.44Å; L471-S474 PolarHBondContact O-N 3.42Å; L471-M475 HydrophobicContact CD1-CE 4.09Å; L471-M475 VanDerWaalsContact O-CG 3.32Å; L471-M475 WeakPolarHBondContact O-CG 3.41Å; L471-M475 PolarHBondContact O-N 3.34Å; L471-W500 HydrophobicContact CD1-CE3 4.05Å; L471-F504 HydrophobicContact CB-CD2 4.31Å; L471-F504 HydrophobicContact CD1-CD2 4.24Å; L471-F664 HydrophobicContact CB-CE1 4.31Å; L471-F664 HydrophobicContact CB-CZ 4.11Å; L471-F664 HydrophobicContact CD2-CE1 3.99Å; L471-F664 HydrophobicContact CD2-CZ 4.07Å; L471-I673 HydrophobicContact CD1-CG2 4.37Å; L471-I673 HydrophobicContact CD2-CD1 3.82Å; L471-I673 HydrophobicContact CD2-CG2 3.99Å; L471-I680 HydrophobicContact CD2-CD1 4.19Å
472	F	86.4	Confident	84.9	Confident	42 Å²	42	21.4 Å²	21.4	18%	0.184	11%	0.107	C	C	.	.	H	α-helix	trans	-54.6	-47.7	175	-90.6	-92.8	0	0	0	111.9	L350 S468 S474 M475 H476 I680 M683	L350-F472 HydrophobicContact CD2-CE2 4.1Å; L350-F472 HydrophobicContact CD2-CZ 4.46Å; S468-F472 WeakPolarHBondContact O-CD2 3.46Å; S468-F472 PolarHBondContact O-N 2.9Å; F472-S474 VanDerWaalsContact C-N 3.3Å; F472-S474 PolarHBondContact O-N 3.49Å; F472-M475 PolarHBondContact O-N 3.1Å; F472-H476 AromaticContact CD1-NE2 3.85Å; F472-H476 WeakPolarHBondContact O-CB 3.32Å; F472-H476 PolarHBondContact O-CD2 2.92Å; F472-H476 PolarHBondContact O-N 3.22Å; F472-I680 HydrophobicContact CD1-CG2 3.72Å; F472-I680 HydrophobicContact CE1-CB 4.36Å; F472-I680 HydrophobicContact CE1-CG1 4.01Å; F472-I680 HydrophobicContact CE1-CG2 3.87Å; F472-I680 HydrophobicContact CE2-CD1 4.35Å; F472-I680 HydrophobicContact CE2-CG1 4.29Å; F472-I680 HydrophobicContact CG-CG2 4.26Å; F472-I680 HydrophobicContact CZ-CD1 4.43Å; F472-I680 HydrophobicContact CZ-CG1 3.87Å; F472-M683 HydrophobicContact CE1-CE 3.98Å; F472-M683 HydrophobicContact CE1-SD 3.74Å; F472-M683 HydrophobicContact CZ-CE 4.39Å; F472-M683 HydrophobicContact CZ-SD 4.07Å
473	L	86.4	Confident	85	Confident	32 Å²	32	20.7 Å²	20.7	17%	0.168	10%	0.104	C	C	.	.	H	α-helix	trans	-57.9	-41.7	175.5	-178.2	65.2	0	0	0	112	F446 K447 L448 R469 L471 W477	F446-L473 HydrophobicContact CD1-CD2 4.27Å; F446-L473 HydrophobicContact CD2-CD2 4.16Å; F446-L473 HydrophobicContact CD2-CG 4.16Å; F446-L473 HydrophobicContact CE1-CD2 4.04Å; F446-L473 HydrophobicContact CE2-CD2 3.94Å; F446-L473 HydrophobicContact CE2-CG 3.75Å; F446-L473 HydrophobicContact CG-CD2 4.33Å; F446-L473 HydrophobicContact CZ-CD2 3.87Å; F446-L473 HydrophobicContact CZ-CG 4.05Å; K447-L473 VanDerWaalsContact O-CD2 3.28Å; K447-L473 WeakPolarHBondContact O-CD2 3.39Å; L448-L473 HydrophobicContact CB-CD2 4.33Å; L448-L473 HydrophobicContact CD1-CD2 4.26Å; R469-L473 VanDerWaalsContact O-CB 3.3Å; R469-L473 WeakPolarHBondContact O-CB 3.29Å; R469-L473 PolarHBondContact O-N 3.29Å; L471-L473 VanDerWaalsContact C-N 3.34Å; L471-L473 PolarHBondContact O-N 2.81Å; L473-W477 VanDerWaalsContact O-CB 3.23Å; L473-W477 WeakPolarHBondContact O-CB 3.45Å; L473-W477 PolarHBondContact O-N 3.13Å
474	S	88.5	Confident	85.2	Confident	3 Å²	3	20.3 Å²	20.3	2%	0.021	10%	0.102	C	C	.	.	H	α-helix	trans	-67	-39.3	178	-55.5	0	0	0	0	112.5	L470 L471 F472 A478	L470-S474 WeakPolarHBondContact O-CB 3.05Å; L470-S474 PolarHBondContact O-N 3.39Å; L470-S474 PolarHBondContact O-OG 2.79Å; L471-S474 WeakPolarHBondContact O-CB 3.44Å; L471-S474 PolarHBondContact O-N 3.42Å; F472-S474 VanDerWaalsContact C-N 3.3Å; F472-S474 PolarHBondContact O-N 3.49Å; S474-A478 PolarHBondContact O-N 2.84Å
475	M	87.9	Confident	85.3	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.005	13%	0.126	C	C	.	.	H	α-helix	trans	-72.3	-39.6	177.8	-59.8	-54.2	94.6	0	0	111.9	L471 F472 A478 R479 V496 W500 I677 I680 L681	L471-M475 HydrophobicContact CD1-CE 4.09Å; L471-M475 VanDerWaalsContact O-CG 3.32Å; L471-M475 WeakPolarHBondContact O-CG 3.41Å; L471-M475 PolarHBondContact O-N 3.34Å; F472-M475 PolarHBondContact O-N 3.1Å; M475-A478 PolarHBondContact O-N 2.93Å; M475-R479 PolarHBondContact O-N 2.8Å; M475-V496 HydrophobicContact CE-CG1 4.2Å; M475-V496 HydrophobicContact SD-CG1 3.24Å; M475-V496 WeakPolarHBondContact SD-CG1 3.29Å; M475-W500 HydrophobicContact CE-CB 4.06Å; M475-W500 HydrophobicContact SD-CB 4.41Å; M475-I677 HydrophobicContact SD-CG1 4.18Å; M475-I680 HydrophobicContact CB-CG2 3.55Å; M475-I680 HydrophobicContact CG-CB 4.46Å; M475-I680 HydrophobicContact CG-CD1 4.46Å; M475-I680 HydrophobicContact CG-CG2 3.76Å; M475-L681 HydrophobicContact CB-CD2 4.39Å
476	H	84.4	Confident	85.2	Confident	31 Å²	31	22.2 Å²	22.2	14%	0.144	13%	0.126	C	C	.	.	H	α-helix	trans	-69.7	-36	175.8	-74.2	-54.9	0	0	0	112.7	F472 A478 R479 S480 M683 T685	F472-H476 AromaticContact CD1-NE2 3.85Å; F472-H476 WeakPolarHBondContact O-CB 3.32Å; F472-H476 PolarHBondContact O-CD2 2.92Å; F472-H476 PolarHBondContact O-N 3.22Å; H476-A478 VanDerWaalsContact C-N 3.32Å; H476-A478 PolarHBondContact O-N 3.42Å; H476-R479 PolarHBondContact ND1-NH2 3.32Å; H476-R479 PolarHBondContact O-N 2.96Å; H476-R479 VanDerWaalsContact O-N 3.16Å; H476-S480 PolarHBondContact O-N 3.3Å; H476-M683 PolarHBondContact CE1-O 3.23Å; H476-T685 HydrophobicContact CB-CG2 4.24Å
477	W	88.8	Confident	84.9	Confident	16 Å²	16	22.7 Å²	22.7	6%	0.061	13%	0.128	C	C	.	.	H	α-helix	trans	-59.6	-41	170.9	177.1	91.7	0	0	0	111.9	L439 H443 F446 L473 S480 I481 L503 A592 K595 A596 L599	L439-W477 HydrophobicContact CD2-CZ2 4.32Å; H443-W477 PolarHBondContact O-NE1 2.98Å; F446-W477 HydrophobicContact CD2-CG 4.48Å; F446-W477 HydrophobicContact CE2-CB 4.44Å; L473-W477 VanDerWaalsContact O-CB 3.23Å; L473-W477 WeakPolarHBondContact O-CB 3.45Å; L473-W477 PolarHBondContact O-N 3.13Å; W477-S480 PolarHBondContact O-OG 3.14Å; W477-S480 VanDerWaalsContact O-OG 3.11Å; W477-I481 HydrophobicContact CE3-CD1 4.21Å; W477-I481 HydrophobicContact CH2-CD1 3.6Å; W477-I481 HydrophobicContact CZ2-CD1 3.99Å; W477-I481 HydrophobicContact CZ3-CD1 3.73Å; W477-L503 HydrophobicContact CZ3-CD2 4.41Å; W477-A592 HydrophobicContact CZ2-CB 4.3Å; W477-K595 HydrophobicContact CD2-CD 4.46Å; W477-K595 HydrophobicContact CE3-CB 4.31Å; W477-K595 HydrophobicContact CE3-CD 4.44Å; W477-K595 HydrophobicContact CH2-CB 3.3Å; W477-K595 HydrophobicContact CH2-CD 4.42Å; W477-K595 HydrophobicContact CH2-CG 4.49Å; W477-K595 HydrophobicContact CZ2-CB 3.92Å; W477-K595 HydrophobicContact CZ2-CD 4.38Å; W477-K595 HydrophobicContact CZ3-CB 3.52Å; W477-K595 HydrophobicContact CZ3-CD 4.44Å; W477-A596 HydrophobicContact CH2-CB 4.34Å; W477-L599 HydrophobicContact CZ3-CD2 4.28Å
478	A	87.5	Confident	84.5	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-64.9	-43.4	172.6	0	0	0	0	0	111.4	S474 M475 H476 S480 I481 F484 V496 L599	S474-A478 PolarHBondContact O-N 2.84Å; M475-A478 PolarHBondContact O-N 2.93Å; H476-A478 VanDerWaalsContact C-N 3.32Å; H476-A478 PolarHBondContact O-N 3.42Å; A478-S480 VanDerWaalsContact C-N 3.31Å; A478-S480 PolarHBondContact O-N 3.49Å; A478-I481 PolarHBondContact O-N 3.32Å; A478-F484 WeakPolarHBondContact O-CD1 3.15Å; A478-F484 WeakPolarHBondContact O-CG 3.3Å; A478-V496 HydrophobicContact CB-CG2 4.35Å; A478-L599 HydrophobicContact CB-CD1 4Å; A478-L599 HydrophobicContact CB-CD2 3.92Å
479	R	85.3	Confident	84.3	Confident	76 Å²	76	28.4 Å²	28.4	29%	0.287	16%	0.162	S	C	.	.	H	α-helix	trans	-62.7	-30.7	178.5	-176.6	165.4	69.8	61.9	-10.3	113.7	M475 H476 I481 L681 M683 T685	M475-R479 PolarHBondContact O-N 2.8Å; H476-R479 PolarHBondContact ND1-NH2 3.32Å; H476-R479 PolarHBondContact O-N 2.96Å; H476-R479 VanDerWaalsContact O-N 3.16Å; R479-I481 VanDerWaalsContact C-N 3.34Å; R479-L681 HydrophobicContact CB-CD2 4.43Å; R479-L681 VanDerWaalsContact CD-O 3.27Å; R479-L681 WeakPolarHBondContact CD-O 3.29Å; R479-M683 PolarHBondContact NH2-O 3.48Å; R479-T685 PolarHBondContact NH2-OG1 3.43Å; R479-T685 VanDerWaalsContact NH2-OG1 3.11Å
480	S	83.6	Confident	83.9	Confident	61 Å²	61	35 Å²	35	43%	0.427	19%	0.194	S	C	.	.	H	α-helix	trans	-75.8	-20.2	-176.2	69.5	0	0	0	0	114.1	H443 H476 W477 A478 P482	H443-S480 PolarHBondContact CD2-OG 2.95Å; H443-S480 VanDerWaalsContact NE2-C 3.27Å; H443-S480 PolarHBondContact NE2-O 3.48Å; H443-S480 PolarHBondContact NE2-OG 3.21Å; H476-S480 PolarHBondContact O-N 3.3Å; W477-S480 PolarHBondContact O-OG 3.14Å; W477-S480 VanDerWaalsContact O-OG 3.11Å; A478-S480 VanDerWaalsContact C-N 3.31Å; A478-S480 PolarHBondContact O-N 3.49Å; S480-P482 WeakPolarHBondContact O-CD 3.29Å
481	I	85.8	Confident	83.5	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.197	C	C	.	.			trans	-67.7	119.5	-178.4	-63.5	167.1	0	0	0	109.7	L439 H443 W477 A478 R479 A483 F484 S485 L599 F600	L439-I481 HydrophobicContact CD2-CD1 3.86Å; L439-I481 HydrophobicContact CD2-CG1 3.94Å; H443-I481 PolarHBondContact NE2-N 2.82Å; W477-I481 HydrophobicContact CE3-CD1 4.21Å; W477-I481 HydrophobicContact CH2-CD1 3.6Å; W477-I481 HydrophobicContact CZ2-CD1 3.99Å; W477-I481 HydrophobicContact CZ3-CD1 3.73Å; A478-I481 PolarHBondContact O-N 3.32Å; R479-I481 VanDerWaalsContact C-N 3.34Å; I481-A483 VanDerWaalsContact C-N 3.29Å; I481-A483 HydrophobicContact CG2-CB 4.17Å; I481-A483 PolarHBondContact O-N 2.71Å; I481-F484 HydrophobicContact CB-CB 4.06Å; I481-F484 HydrophobicContact CG2-CB 4.3Å; I481-F484 WeakPolarHBondContact O-CB 3.45Å; I481-F484 PolarHBondContact O-N 2.89Å; I481-S485 PolarHBondContact O-N 3.37Å; I481-L599 HydrophobicContact CD1-CD2 3.86Å; I481-F600 HydrophobicContact CG2-CE2 4.44Å; I481-F600 HydrophobicContact CG2-CZ 4.13Å
482	P	81.3	Confident	83.3	Confident	34 Å²	34	35.4 Å²	35.4	22%	0.221	20%	0.198	C	C	.	.	H	α-helix	trans	-60.5	-35.1	-176.4	-26.2	35.4	0	0	0	113.9	T418 I420 S480 F484 S485 A486	T418-P482 HydrophobicContact CG2-CB 4.35Å; T418-P482 HydrophobicContact CG2-CG 4.42Å; I420-P482 HydrophobicContact CD1-CB 3.91Å; S480-P482 WeakPolarHBondContact O-CD 3.29Å; P482-F484 VanDerWaalsContact C-N 3.29Å; P482-F484 PolarHBondContact O-N 3.39Å; P482-S485 PolarHBondContact O-N 2.82Å; P482-S485 PolarHBondContact O-OG 2.78Å; P482-A486 WeakPolarHBondContact O-CB 3.46Å; P482-A486 PolarHBondContact O-N 3.1Å
483	A	82.9	Confident	83.2	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.008	19%	0.194	C	C	.	.	H	α-helix	trans	-66.1	-31	176.1	0	0	0	0	0	112.9	V434 L438 I481 F600 F618	V434-A483 HydrophobicContact CG2-CB 4.01Å; L438-A483 HydrophobicContact CD1-CB 3.46Å; L438-A483 VanDerWaalsContact CD1-CB 3.46Å; I481-A483 VanDerWaalsContact C-N 3.29Å; I481-A483 HydrophobicContact CG2-CB 4.17Å; I481-A483 PolarHBondContact O-N 2.71Å; A483-F600 HydrophobicContact CB-CZ 4.19Å; A483-F618 HydrophobicContact CB-CD1 4.44Å; A483-F618 HydrophobicContact CB-CD2 4.04Å; A483-F618 HydrophobicContact CB-CE1 4.37Å; A483-F618 HydrophobicContact CB-CE2 3.95Å; A483-F618 HydrophobicContact CB-CG 4.3Å; A483-F618 HydrophobicContact CB-CZ 4.12Å; A483-F618 VanDerWaalsContact O-CE2 3.3Å; A483-F618 WeakPolarHBondContact O-CE2 3.43Å
484	F	83.9	Confident	83.1	Confident	4 Å²	4	34 Å²	34	2%	0.018	20%	0.195	C	C	.	.	H	α-helix	trans	-74.4	-48.6	174	178.1	-98.3	0	0	0	110.3	A478 I481 P482 A486 L487 N492 L495 V496 L599 F600	A478-F484 WeakPolarHBondContact O-CD1 3.15Å; A478-F484 WeakPolarHBondContact O-CG 3.3Å; I481-F484 HydrophobicContact CB-CB 4.06Å; I481-F484 HydrophobicContact CG2-CB 4.3Å; I481-F484 WeakPolarHBondContact O-CB 3.45Å; I481-F484 PolarHBondContact O-N 2.89Å; P482-F484 VanDerWaalsContact C-N 3.29Å; P482-F484 PolarHBondContact O-N 3.39Å; F484-A486 PolarHBondContact O-N 2.97Å; F484-A486 VanDerWaalsContact O-N 3.1Å; F484-L487 PolarHBondContact O-N 3.23Å; F484-N492 HydrophobicContact CD1-CB 4.46Å; F484-N492 HydrophobicContact CE1-CB 3.7Å; F484-N492 HydrophobicContact CE2-CB 3.83Å; F484-N492 HydrophobicContact CZ-CB 3.34Å; F484-N492 WeakPolarHBondContact CZ-O 3.32Å; F484-N492 VanDerWaalsContact O-CG 3.25Å; F484-N492 PolarHBondContact O-ND2 2.93Å; F484-N492 PolarHBondContact O-OD1 3.32Å; F484-L495 HydrophobicContact CE2-CB 4.42Å; F484-L495 HydrophobicContact CE2-CD1 4.48Å; F484-V496 HydrophobicContact CE2-CG2 3.77Å; F484-V496 HydrophobicContact CZ-CG2 3.45Å; F484-V496 VanDerWaalsContact CZ-CG2 3.45Å; F484-L599 HydrophobicContact CB-CD2 4.49Å; F484-L599 HydrophobicContact CD2-CD1 4.02Å; F484-L599 HydrophobicContact CD2-CD2 3.99Å; F484-L599 HydrophobicContact CD2-CG 4.15Å; F484-L599 HydrophobicContact CE2-CD1 3.81Å; F484-L599 HydrophobicContact CE2-CG 4.44Å; F484-L599 HydrophobicContact CG-CD2 4.38Å; F484-F600 HydrophobicContact CB-CE1 4.2Å; F484-F600 HydrophobicContact CB-CZ 4.08Å; F484-F600 HydrophobicContact CD2-CE1 4.45Å
485	S	82.8	Confident	82.9	Confident	75 Å²	75	34.6 Å²	34.6	52%	0.524	20%	0.198	S	C	.	.	H	α-helix	trans	-55.9	-34.2	179.5	71.2	0	0	0	0	113	I481 P482 L487	I481-S485 PolarHBondContact O-N 3.37Å; P482-S485 PolarHBondContact O-N 2.82Å; P482-S485 PolarHBondContact O-OG 2.78Å; S485-L487 PolarHBondContact O-N 3.16Å
486	A	79.7	Confident	82.9	Confident	39 Å²	39	34.6 Å²	34.6	32%	0.322	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-18.8	179.4	0	0	0	0	0	115.8	I420 I432 P482 F484 G488	I420-A486 HydrophobicContact CD1-CB 4.18Å; I432-A486 HydrophobicContact CD1-CB 3.83Å; I432-A486 VanDerWaalsContact CD1-O 3.25Å; I432-A486 WeakPolarHBondContact CD1-O 3.35Å; I432-A486 HydrophobicContact CG2-CB 4Å; P482-A486 WeakPolarHBondContact O-CB 3.46Å; P482-A486 PolarHBondContact O-N 3.1Å; F484-A486 PolarHBondContact O-N 2.97Å; F484-A486 VanDerWaalsContact O-N 3.1Å; A486-G488 VanDerWaalsContact C-N 3.25Å; A486-G488 PolarHBondContact O-N 3.29Å
487	L	76.3	Confident	83	Confident	12 Å²	12	38.2 Å²	38.2	6%	0.063	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-14.1	-179.9	-73.2	169.3	0	0	0	114.1	F484 S485 A491 N492 L495 F600 Q614 V615 F618	F484-L487 PolarHBondContact O-N 3.23Å; S485-L487 PolarHBondContact O-N 3.16Å; L487-A491 HydrophobicContact CB-CB 4.26Å; L487-N492 WeakPolarHBondContact CB-OD1 3.31Å; L487-L495 HydrophobicContact CD1-CD1 3.77Å; L487-F600 HydrophobicContact CD1-CD1 4.25Å; L487-F600 HydrophobicContact CD1-CE1 3.94Å; L487-Q614 HydrophobicContact CD2-CB 4.08Å; L487-V615 HydrophobicContact CD1-CG2 4.02Å; L487-V615 HydrophobicContact CD2-CG2 4.22Å; L487-F618 HydrophobicContact CD1-CD2 4.18Å; L487-F618 HydrophobicContact CD1-CE2 4.22Å; L487-F618 HydrophobicContact CD2-CD2 4.36Å; L487-F618 HydrophobicContact CD2-CE2 3.85Å; L487-F618 HydrophobicContact CG-CD2 4.39Å; L487-F618 HydrophobicContact CG-CE2 3.93Å
488	G	77.1	Confident	82.8	Confident	33 Å²	33	40.3 Å²	40.3	34%	0.34	23%	0.231	S	C	.	.			trans	90.3	151.4	179.3	0	0	0	0	0	114.3	A486 E490 A491 N492	A486-G488 VanDerWaalsContact C-N 3.25Å; A486-G488 PolarHBondContact O-N 3.29Å; G488-E490 VanDerWaalsContact C-N 3.32Å; G488-E490 PolarHBondContact O-N 2.91Å; G488-A491 PolarHBondContact O-N 3.29Å; G488-N492 WeakPolarHBondContact O-CB 3.31Å; G488-N492 PolarHBondContact O-N 3.37Å; G488-N492 PolarHBondContact O-OD1 2.94Å
489	Q	79.6	Confident	82.9	Confident	100 Å²	100	40.5 Å²	40.5	47%	0.467	23%	0.232	S	C	.	.	H	α-helix	trans	-59.4	-35.7	-166	-171.1	61.5	29.6	0	0	114.7	T493	Q489-T493 WeakPolarHBondContact O-CB 3.23Å; Q489-T493 PolarHBondContact O-N 3.15Å; Q489-T493 PolarHBondContact O-OG1 2.97Å
490	E	78.3	Confident	83.2	Confident	169 Å²	169	37.1 Å²	37.1	79%	0.79	22%	0.219	S	C	*	.	H	α-helix	trans	-69.3	-50.2	179.9	-174.5	172.4	-172.9	0	0	111.4	G488 N492 T493 S494	G488-E490 VanDerWaalsContact C-N 3.32Å; G488-E490 PolarHBondContact O-N 2.91Å; E490-N492 VanDerWaalsContact C-N 3.31Å; E490-N492 PolarHBondContact O-N 2.87Å; E490-T493 PolarHBondContact O-N 2.74Å; E490-S494 WeakPolarHBondContact O-CB 3.28Å; E490-S494 PolarHBondContact O-N 3.18Å
491	A	78	Confident	83.5	Confident	8 Å²	8	34.9 Å²	34.9	7%	0.066	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-43.9	174.5	0	0	0	0	0	111.1	L487 G488 T493 S494 L495 V609	L487-A491 HydrophobicContact CB-CB 4.26Å; G488-A491 PolarHBondContact O-N 3.29Å; A491-T493 PolarHBondContact O-N 3.43Å; A491-S494 WeakPolarHBondContact O-CB 3.39Å; A491-S494 PolarHBondContact O-N 3.35Å; A491-S494 VanDerWaalsContact O-N 3.15Å; A491-L495 WeakPolarHBondContact O-CB 3.13Å; A491-L495 WeakPolarHBondContact O-CG 3.28Å; A491-L495 PolarHBondContact O-N 3.42Å; A491-V609 HydrophobicContact CB-CG1 4.24Å
492	N	84.4	Confident	83.8	Confident	7 Å²	7	36.1 Å²	36.1	4%	0.037	21%	0.209	C	C	.	.	H	α-helix	trans	-60.9	-44.1	178.7	-73.5	-3.7	0	0	0	112.9	F484 L487 G488 E490 S494 V496	F484-N492 HydrophobicContact CD1-CB 4.46Å; F484-N492 HydrophobicContact CE1-CB 3.7Å; F484-N492 HydrophobicContact CE2-CB 3.83Å; F484-N492 HydrophobicContact CZ-CB 3.34Å; F484-N492 WeakPolarHBondContact CZ-O 3.32Å; F484-N492 VanDerWaalsContact O-CG 3.25Å; F484-N492 PolarHBondContact O-ND2 2.93Å; F484-N492 PolarHBondContact O-OD1 3.32Å; L487-N492 WeakPolarHBondContact CB-OD1 3.31Å; G488-N492 WeakPolarHBondContact O-CB 3.31Å; G488-N492 PolarHBondContact O-N 3.37Å; G488-N492 PolarHBondContact O-OD1 2.94Å; E490-N492 VanDerWaalsContact C-N 3.31Å; E490-N492 PolarHBondContact O-N 2.87Å; N492-S494 VanDerWaalsContact C-N 3.31Å; N492-S494 PolarHBondContact O-N 3.03Å; N492-V496 WeakPolarHBondContact O-CB 3.33Å; N492-V496 WeakPolarHBondContact O-CG2 3.41Å; N492-V496 PolarHBondContact O-N 2.96Å; N492-V496 VanDerWaalsContact O-N 3.13Å
493	T	84.8	Confident	84.3	Confident	16 Å²	16	34.6 Å²	34.6	10%	0.098	20%	0.199	C	C	.	.	H	α-helix	trans	-67.2	-35.1	176.5	-51.7	0	0	0	0	111.4	Q489 E490 A491 R497 P678	Q489-T493 WeakPolarHBondContact O-CB 3.23Å; Q489-T493 PolarHBondContact O-N 3.15Å; Q489-T493 PolarHBondContact O-OG1 2.97Å; E490-T493 PolarHBondContact O-N 2.74Å; A491-T493 PolarHBondContact O-N 3.43Å; T493-R497 WeakPolarHBondContact O-CB 3.39Å; T493-R497 WeakPolarHBondContact O-CD 3.38Å; T493-R497 VanDerWaalsContact O-CG 3.29Å; T493-R497 WeakPolarHBondContact O-CG 3.41Å; T493-R497 PolarHBondContact O-N 2.87Å; T493-P678 HydrophobicContact CG2-CB 3.95Å; T493-P678 HydrophobicContact CG2-CG 3.7Å
494	S	83.3	Confident	84.7	Confident	29 Å²	29	34.6 Å²	34.6	20%	0.203	20%	0.198	C	C	.	.	H	α-helix	trans	-71.2	-48.9	179	-161.6	0	0	0	0	112.2	E490 A491 N492 V496 R497 A498 H606	E490-S494 WeakPolarHBondContact O-CB 3.28Å; E490-S494 PolarHBondContact O-N 3.18Å; A491-S494 WeakPolarHBondContact O-CB 3.39Å; A491-S494 PolarHBondContact O-N 3.35Å; A491-S494 VanDerWaalsContact O-N 3.15Å; N492-S494 VanDerWaalsContact C-N 3.31Å; N492-S494 PolarHBondContact O-N 3.03Å; S494-V496 PolarHBondContact O-N 2.89Å; S494-R497 PolarHBondContact O-N 2.76Å; S494-A498 PolarHBondContact O-N 3.28Å; S494-H606 PolarHBondContact OG-CD2 3.04Å; S494-H606 PolarHBondContact OG-NE2 2.7Å; S494-H606 VanDerWaalsContact OG-NE2 3.15Å
495	L	85.4	Confident	85.1	Confident	15 Å²	15	34.4 Å²	34.4	8%	0.079	20%	0.197	C	C	.	.	H	α-helix	trans	-58.6	-47.6	176.4	-71.7	170.7	0	0	0	111.8	F484 L487 A491 R497 A498 C499 V615	F484-L495 HydrophobicContact CE2-CB 4.42Å; F484-L495 HydrophobicContact CE2-CD1 4.48Å; L487-L495 HydrophobicContact CD1-CD1 3.77Å; A491-L495 WeakPolarHBondContact O-CB 3.13Å; A491-L495 WeakPolarHBondContact O-CG 3.28Å; A491-L495 PolarHBondContact O-N 3.42Å; L495-R497 PolarHBondContact O-N 3.05Å; L495-A498 WeakPolarHBondContact O-CB 3.3Å; L495-A498 PolarHBondContact O-N 3.45Å; L495-A498 VanDerWaalsContact O-N 3.15Å; L495-C499 PolarHBondContact O-N 2.96Å; L495-C499 PolarHBondContact O-SG 2.86Å; L495-V615 HydrophobicContact CD1-CG2 4.07Å; L495-V615 HydrophobicContact CD2-CG1 3.96Å; L495-V615 HydrophobicContact CD2-CG2 4.32Å
496	V	88.3	Confident	85.5	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.1	-40	-179.1	173.3	0	0	0	0	111.3	M475 A478 F484 N492 S494 A498 C499 W500 L599 I677 L681	M475-V496 HydrophobicContact CE-CG1 4.2Å; M475-V496 HydrophobicContact SD-CG1 3.24Å; M475-V496 WeakPolarHBondContact SD-CG1 3.29Å; A478-V496 HydrophobicContact CB-CG2 4.35Å; F484-V496 HydrophobicContact CE2-CG2 3.77Å; F484-V496 HydrophobicContact CZ-CG2 3.45Å; F484-V496 VanDerWaalsContact CZ-CG2 3.45Å; N492-V496 WeakPolarHBondContact O-CB 3.33Å; N492-V496 WeakPolarHBondContact O-CG2 3.41Å; N492-V496 PolarHBondContact O-N 2.96Å; N492-V496 VanDerWaalsContact O-N 3.13Å; S494-V496 PolarHBondContact O-N 2.89Å; V496-A498 VanDerWaalsContact C-N 3.32Å; V496-A498 PolarHBondContact O-N 3.39Å; V496-C499 PolarHBondContact O-N 3.37Å; V496-W500 WeakPolarHBondContact O-CA 3.4Å; V496-W500 VanDerWaalsContact O-CB 3.31Å; V496-W500 WeakPolarHBondContact O-CB 3.36Å; V496-W500 PolarHBondContact O-N 2.94Å; V496-L599 HydrophobicContact CG2-CD1 3.96Å; V496-I677 HydrophobicContact CB-CG2 4.14Å; V496-I677 HydrophobicContact CG1-CD1 4.22Å; V496-I677 HydrophobicContact CG1-CG1 4.33Å; V496-I677 HydrophobicContact CG1-CG2 3.64Å; V496-L681 HydrophobicContact CB-CD1 4.18Å; V496-L681 HydrophobicContact CG1-CD1 4.35Å; V496-L681 HydrophobicContact CG2-CD1 4.26Å; V496-L681 HydrophobicContact CG2-CD2 4.48Å
497	R	86.8	Confident	86	Confident	108 Å²	108	29 Å²	29	41%	0.408	16%	0.157	S	C	.	.	H	α-helix	trans	-58.5	-41.8	170.6	-79.4	169.9	166.9	160	-10.5	112.7	T493 S494 L495 C499 D674 I677	T493-R497 WeakPolarHBondContact O-CB 3.39Å; T493-R497 WeakPolarHBondContact O-CD 3.38Å; T493-R497 VanDerWaalsContact O-CG 3.29Å; T493-R497 WeakPolarHBondContact O-CG 3.41Å; T493-R497 PolarHBondContact O-N 2.87Å; S494-R497 PolarHBondContact O-N 2.76Å; L495-R497 PolarHBondContact O-N 3.05Å; R497-C499 PolarHBondContact O-N 3.48Å; R497-D674 HydrophobicContact CG-CB 4.48Å; R497-D674 VanDerWaalsContact CZ-O 3.3Å; R497-D674 PolarHBondContact NE-O 2.86Å; R497-D674 PolarHBondContact NH2-O 3.29Å; R497-I677 HydrophobicContact CG-CB 4.45Å; R497-I677 HydrophobicContact CG-CD1 4.11Å; R497-I677 HydrophobicContact CG-CG2 4.19Å
498	A	84.6	Confident	86.6	Confident	59 Å²	59	28.5 Å²	28.5	49%	0.488	16%	0.155	S	C	.	.	H	α-helix	trans	-66.1	-23.5	179.5	0	0	0	0	0	113.8	S494 L495 V496	S494-A498 PolarHBondContact O-N 3.28Å; L495-A498 WeakPolarHBondContact O-CB 3.3Å; L495-A498 PolarHBondContact O-N 3.45Å; L495-A498 VanDerWaalsContact O-N 3.15Å; V496-A498 VanDerWaalsContact C-N 3.32Å; V496-A498 PolarHBondContact O-N 3.39Å
499	C	89.1	Confident	87.2	Confident	5 Å²	5	27.2 Å²	27.2	3%	0.034	14%	0.141	C	C	.	.	H	α-helix	trans	-130.6	2.5	-171.8	72.1	0	0	0	0	116.7	L495 V496 R497 N501 E502 L503 V598	L495-C499 PolarHBondContact O-N 2.96Å; L495-C499 PolarHBondContact O-SG 2.86Å; V496-C499 PolarHBondContact O-N 3.37Å; R497-C499 PolarHBondContact O-N 3.48Å; C499-N501 PolarHBondContact O-N 2.94Å; C499-N501 VanDerWaalsContact O-N 3.13Å; C499-E502 WeakPolarHBondContact O-CA 3.32Å; C499-E502 WeakPolarHBondContact O-CB 3.47Å; C499-E502 PolarHBondContact O-N 3.43Å; C499-L503 PolarHBondContact O-N 3.39Å; C499-V598 HydrophobicContact CB-CG1 3.72Å
500	W	90.4	Very high	87.6	Confident	4 Å²	4	23.5 Å²	23.5	2%	0.015	12%	0.124	C	C	.	.	H	α-helix	trans	-55.9	-37.8	-173.9	72.2	-98.3	0	0	0	113	L471 M475 V496 L503 F504 E660 I673 D674 I677	L471-W500 HydrophobicContact CD1-CE3 4.05Å; M475-W500 HydrophobicContact CE-CB 4.06Å; M475-W500 HydrophobicContact SD-CB 4.41Å; V496-W500 WeakPolarHBondContact O-CA 3.4Å; V496-W500 VanDerWaalsContact O-CB 3.31Å; V496-W500 WeakPolarHBondContact O-CB 3.36Å; V496-W500 PolarHBondContact O-N 2.94Å; W500-L503 PolarHBondContact O-N 3.48Å; W500-F504 HydrophobicContact CE3-CB 4.46Å; W500-F504 WeakPolarHBondContact O-CB 3.39Å; W500-F504 PolarHBondContact O-N 2.93Å; W500-E660 HydrophobicContact CH2-CG 3.59Å; W500-E660 HydrophobicContact CZ2-CG 3.84Å; W500-I673 HydrophobicContact CD2-CB 4.25Å; W500-I673 HydrophobicContact CD2-CG2 3.65Å; W500-I673 HydrophobicContact CE3-CB 4.47Å; W500-I673 HydrophobicContact CE3-CG2 3.86Å; W500-I673 HydrophobicContact CG-CG2 4.14Å; W500-I673 HydrophobicContact CH2-CB 4.04Å; W500-I673 HydrophobicContact CH2-CG1 3.86Å; W500-I673 HydrophobicContact CH2-CG2 4.31Å; W500-I673 HydrophobicContact CZ2-CB 3.73Å; W500-I673 HydrophobicContact CZ2-CG1 4.05Å; W500-I673 HydrophobicContact CZ2-CG2 4.09Å; W500-I673 HydrophobicContact CZ3-CB 4.39Å; W500-I673 HydrophobicContact CZ3-CG1 4.19Å; W500-I673 HydrophobicContact CZ3-CG2 4.2Å; W500-D674 VanDerWaalsContact CD1-OD1 3.29Å; W500-D674 PolarHBondContact NE1-OD1 2.75Å; W500-I677 HydrophobicContact CB-CD1 3.66Å; W500-I677 HydrophobicContact CG-CD1 3.59Å
501	N	91.5	Very high	88	Confident	14 Å²	14	15.7 Å²	15.7	8%	0.075	9%	0.087	C	C	.	.	H	α-helix	trans	-66.9	-42.3	177.1	172.8	68.3	0	0	0	111.1	C499 I505 M654 T659	C499-N501 PolarHBondContact O-N 2.94Å; C499-N501 VanDerWaalsContact O-N 3.13Å; N501-I505 WeakPolarHBondContact O-CB 3.22Å; N501-I505 WeakPolarHBondContact O-CG1 3.37Å; N501-I505 PolarHBondContact O-N 2.88Å; N501-I505 WeakPolarHBondContact OD1-CD1 3.44Å; N501-M654 PolarHBondContact ND2-O 3.34Å; N501-T659 VanDerWaalsContact OD1-CB 3.31Å; N501-T659 WeakPolarHBondContact OD1-CB 3.3Å; N501-T659 PolarHBondContact OD1-OG1 3.34Å
502	E	91.6	Very high	88.3	Confident	27 Å²	27	16.2 Å²	16.2	13%	0.126	9%	0.092	C	C	.	.	H	α-helix	trans	-64.3	-42	174.6	-63.9	-159.1	-132.7	0	0	111.6	C499 L506 V598 L651 R652	C499-E502 WeakPolarHBondContact O-CA 3.32Å; C499-E502 WeakPolarHBondContact O-CB 3.47Å; C499-E502 PolarHBondContact O-N 3.43Å; E502-L506 WeakPolarHBondContact O-CG 3.31Å; E502-L506 PolarHBondContact O-N 2.66Å; E502-V598 HydrophobicContact CB-CG1 3.48Å; E502-V598 VanDerWaalsContact CB-CG1 3.48Å; E502-V598 HydrophobicContact CB-CG2 4.4Å; E502-V598 HydrophobicContact CG-CG1 4.47Å; E502-L651 HydrophobicContact CB-CD1 4.42Å; E502-L651 HydrophobicContact CB-CD2 3.79Å; E502-L651 HydrophobicContact CB-CG 3.8Å; E502-L651 HydrophobicContact CG-CD2 4.27Å; E502-L651 HydrophobicContact CG-CG 3.87Å; E502-L651 WeakPolarHBondContact OE2-CD2 3.42Å; E502-R652 VanDerWaalsContact OE1-CG 3.27Å; E502-R652 WeakPolarHBondContact OE1-CG 3.38Å; E502-R652 IonicContact OE1-NE 3.82Å
503	L	91	Very high	88.1	Confident	2 Å²	2	22.8 Å²	22.8	1%	0.01	12%	0.122	C	C	.	.	H	α-helix	trans	-65.8	-44.9	176.1	-68.6	176.6	0	0	0	112.8	W477 C499 W500 I505 L506 G507 K595 V598 L599	W477-L503 HydrophobicContact CZ3-CD2 4.41Å; C499-L503 PolarHBondContact O-N 3.39Å; W500-L503 PolarHBondContact O-N 3.48Å; L503-I505 VanDerWaalsContact C-N 3.35Å; L503-L506 PolarHBondContact O-N 2.78Å; L503-G507 PolarHBondContact O-N 3.05Å; L503-K595 HydrophobicContact CD2-CB 3.8Å; L503-K595 HydrophobicContact CD2-CG 4.11Å; L503-K595 WeakPolarHBondContact CD2-O 3.46Å; L503-V598 HydrophobicContact CD2-CB 4.33Å; L503-V598 HydrophobicContact CD2-CG1 3.87Å; L503-V598 HydrophobicContact CG-CG1 4.03Å; L503-L599 HydrophobicContact CD1-CD1 4.18Å
504	F	92.4	Very high	87.8	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-60.6	-44.1	176.8	174.3	-96.6	0	0	0	111	A467 L470 L471 W500 G507 L508 T659 F663 F664	A467-F504 HydrophobicContact CB-CE2 4.13Å; A467-F504 HydrophobicContact CB-CZ 4.03Å; L470-F504 HydrophobicContact CB-CE2 4.33Å; L470-F504 HydrophobicContact CD2-CD2 4Å; L470-F504 HydrophobicContact CD2-CE2 3.7Å; L470-F504 HydrophobicContact CD2-CZ 4.21Å; L470-F504 HydrophobicContact CG-CD2 4.19Å; L470-F504 HydrophobicContact CG-CE2 4.15Å; L471-F504 HydrophobicContact CB-CD2 4.31Å; L471-F504 HydrophobicContact CD1-CD2 4.24Å; W500-F504 HydrophobicContact CE3-CB 4.46Å; W500-F504 WeakPolarHBondContact O-CB 3.39Å; W500-F504 PolarHBondContact O-N 2.93Å; F504-G507 PolarHBondContact O-N 3.17Å; F504-L508 HydrophobicContact CE1-CD2 3.82Å; F504-L508 HydrophobicContact CZ-CD2 4.02Å; F504-L508 VanDerWaalsContact O-CB 3.29Å; F504-L508 WeakPolarHBondContact O-CB 3.4Å; F504-L508 PolarHBondContact O-N 3.41Å; F504-T659 HydrophobicContact CD1-CG2 3.72Å; F504-T659 HydrophobicContact CE1-CG2 3.67Å; F504-F663 AromaticContact CE1-CD2 3.92Å; F504-F663 HydrophobicContact CE1-CD2 3.92Å; F504-F663 HydrophobicContact CE1-CE2 4.26Å; F504-F663 HydrophobicContact CE1-CG 4.24Å; F504-F663 HydrophobicContact CZ-CB 4.25Å; F504-F663 HydrophobicContact CZ-CD1 4.4Å; F504-F663 HydrophobicContact CZ-CD2 4.2Å; F504-F663 HydrophobicContact CZ-CG 4.03Å; F504-F664 HydrophobicContact CD2-CZ 4.23Å; F504-F664 HydrophobicContact CE1-CE2 4.39Å; F504-F664 AromaticContact CE2-CE2 3.99Å; F504-F664 HydrophobicContact CE2-CE2 3.99Å; F504-F664 AromaticContact CE2-CZ 3.64Å; F504-F664 HydrophobicContact CE2-CZ 3.64Å; F504-F664 AromaticContact CZ-CE2 3.9Å; F504-F664 HydrophobicContact CZ-CE2 3.9Å; F504-F664 AromaticContact CZ-CZ 3.98Å; F504-F664 HydrophobicContact CZ-CZ 3.98Å
505	I	91.6	Very high	87.4	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-69.6	-36	179.4	-64.9	177	0	0	0	111.5	N501 L503 L508 A509 F574 F577 L651 M654	N501-I505 WeakPolarHBondContact O-CB 3.22Å; N501-I505 WeakPolarHBondContact O-CG1 3.37Å; N501-I505 PolarHBondContact O-N 2.88Å; N501-I505 WeakPolarHBondContact OD1-CD1 3.44Å; L503-I505 VanDerWaalsContact C-N 3.35Å; I505-L508 PolarHBondContact O-N 2.9Å; I505-A509 WeakPolarHBondContact O-CB 3.49Å; I505-A509 PolarHBondContact O-N 3.19Å; I505-F574 HydrophobicContact CB-CZ 4.18Å; I505-F574 HydrophobicContact CD1-CD2 4.49Å; I505-F574 HydrophobicContact CD1-CE2 3.79Å; I505-F574 HydrophobicContact CD1-CZ 4.32Å; I505-F574 HydrophobicContact CG1-CE2 3.6Å; I505-F574 HydrophobicContact CG1-CZ 3.66Å; I505-F574 HydrophobicContact CG2-CE1 4.36Å; I505-F574 HydrophobicContact CG2-CE2 4.31Å; I505-F574 HydrophobicContact CG2-CZ 3.92Å; I505-F577 HydrophobicContact CG2-CD1 3.77Å; I505-F577 HydrophobicContact CG2-CE1 3.8Å; I505-L651 HydrophobicContact CB-CD1 3.72Å; I505-L651 HydrophobicContact CG2-CD1 3.52Å; I505-M654 HydrophobicContact CD1-CB 3.47Å; I505-M654 VanDerWaalsContact CD1-CB 3.47Å; I505-M654 HydrophobicContact CD1-CG 3.58Å; I505-M654 HydrophobicContact CD1-SD 4.4Å
506	L	91.5	Very high	87.1	Confident	1 Å²	1	26 Å²	26	1%	0.005	14%	0.138	C	C	.	.	H	α-helix	trans	-65.2	-41.1	170.5	-78.6	169.7	0	0	0	112.5	E502 L503 A509 Q510 F577 M581 Y591 L594 K595 V598 L651	E502-L506 WeakPolarHBondContact O-CG 3.31Å; E502-L506 PolarHBondContact O-N 2.66Å; L503-L506 PolarHBondContact O-N 2.78Å; L506-A509 PolarHBondContact O-N 3.44Å; L506-Q510 PolarHBondContact O-N 3Å; L506-F577 HydrophobicContact CD2-CZ 4.02Å; L506-M581 HydrophobicContact CD2-CE 4.43Å; L506-Y591 HydrophobicContact CD2-CD1 4.45Å; L506-L594 HydrophobicContact CD1-CB 4.23Å; L506-L594 HydrophobicContact CD2-CB 4.3Å; L506-L594 HydrophobicContact CD2-CD1 4.29Å; L506-K595 HydrophobicContact CB-CG 3.93Å; L506-K595 HydrophobicContact CD1-CG 3.92Å; L506-V598 HydrophobicContact CD1-CB 4.43Å; L506-V598 HydrophobicContact CD1-CG2 3.87Å; L506-L651 HydrophobicContact CD1-CD2 3.69Å; L506-L651 HydrophobicContact CD2-CD2 4.21Å; L506-L651 HydrophobicContact CG-CD2 3.68Å
507	G	89.1	Confident	86.8	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-63.3	-41	172.9	0	0	0	0	0	112.6	L503 F504 Q510 C511	L503-G507 PolarHBondContact O-N 3.05Å; F504-G507 PolarHBondContact O-N 3.17Å; G507-Q510 PolarHBondContact O-N 3.44Å; G507-C511 WeakPolarHBondContact O-CB 3.13Å; G507-C511 PolarHBondContact O-N 3.46Å
508	L	89.1	Confident	86.5	Confident	1 Å²	1	25.8 Å²	25.8	1%	0.005	15%	0.153	C	C	.	.	H	α-helix	trans	-69.7	-34.3	179	-171.6	40.9	0	0	0	111.7	L470 F504 I505 C511 A512 M515 L517 F574 F663	L470-L508 HydrophobicContact CD2-CB 3.74Å; L470-L508 HydrophobicContact CD2-CD1 4.11Å; L470-L508 HydrophobicContact CD2-CG 4.35Å; F504-L508 HydrophobicContact CE1-CD2 3.82Å; F504-L508 HydrophobicContact CZ-CD2 4.02Å; F504-L508 VanDerWaalsContact O-CB 3.29Å; F504-L508 WeakPolarHBondContact O-CB 3.4Å; F504-L508 PolarHBondContact O-N 3.41Å; I505-L508 PolarHBondContact O-N 2.9Å; L508-C511 CarbonylContact O-C 3.56Å; L508-A512 WeakPolarHBondContact O-CA 3.45Å; L508-A512 VanDerWaalsContact O-CB 3.28Å; L508-A512 WeakPolarHBondContact O-CB 3.48Å; L508-A512 PolarHBondContact O-N 2.88Å; L508-M515 HydrophobicContact CD1-CE 3.32Å; L508-M515 HydrophobicContact CD1-SD 3.57Å; L508-M515 VanDerWaalsContact CD1-SD 3.57Å; L508-L517 HydrophobicContact CD1-CD1 4.11Å; L508-L517 HydrophobicContact CD1-CD2 4.17Å; L508-L517 HydrophobicContact CD2-CD1 4.22Å; L508-L517 HydrophobicContact CG-CD1 4.28Å; L508-L517 HydrophobicContact CG-CD2 4.02Å; L508-F574 HydrophobicContact CB-CE1 4.38Å; L508-F574 HydrophobicContact CB-CZ 4.3Å; L508-F574 HydrophobicContact CD2-CE1 3.77Å; L508-F574 HydrophobicContact CD2-CZ 3.55Å; L508-F574 HydrophobicContact CG-CE1 3.88Å; L508-F574 HydrophobicContact CG-CZ 4.03Å; L508-F663 HydrophobicContact CD2-CE1 3.88Å; L508-F663 HydrophobicContact CD2-CE2 4.04Å; L508-F663 HydrophobicContact CD2-CZ 3.54Å
509	A	89.8	Confident	86.3	Confident	6 Å²	6	26.9 Å²	26.9	5%	0.05	15%	0.153	C	C	.	.	H	α-helix	trans	-65.4	-45.8	170.1	0	0	0	0	0	112	I505 L506 C511 A512 F577 M581 Y591	I505-A509 WeakPolarHBondContact O-CB 3.49Å; I505-A509 PolarHBondContact O-N 3.19Å; L506-A509 PolarHBondContact O-N 3.44Å; A509-C511 VanDerWaalsContact C-N 3.34Å; A509-C511 PolarHBondContact O-N 2.88Å; A509-A512 WeakPolarHBondContact O-CB 3.26Å; A509-A512 PolarHBondContact O-N 3.35Å; A509-F577 HydrophobicContact CB-CD1 4.4Å; A509-F577 HydrophobicContact CB-CE1 3.97Å; A509-M581 HydrophobicContact CB-CG 4.3Å; A509-Y591 HydrophobicContact CB-CE1 4.11Å
510	Q	89.4	Confident	85.9	Confident	23 Å²	23	26.9 Å²	26.9	11%	0.107	15%	0.153	C	C	.	.	H	α-helix	trans	-62.4	-39.5	178.4	-168.1	173.3	11.5	0	0	112.2	F446 L506 G507 Y591	F446-Q510 HydrophobicContact CD1-CG 4.49Å; L506-Q510 PolarHBondContact O-N 3Å; G507-Q510 PolarHBondContact O-N 3.44Å; Q510-Y591 HydrophobicContact CB-CD1 3.95Å; Q510-Y591 HydrophobicContact CB-CD2 4.13Å; Q510-Y591 HydrophobicContact CB-CE1 3.9Å; Q510-Y591 HydrophobicContact CB-CE2 4.09Å; Q510-Y591 HydrophobicContact CB-CG 4.07Å; Q510-Y591 HydrophobicContact CG-CD1 4.38Å; Q510-Y591 HydrophobicContact CG-CD2 3.79Å; Q510-Y591 HydrophobicContact CG-CE2 4.05Å; Q510-Y591 HydrophobicContact CG-CG 3.98Å
511	C	86.4	Confident	85.5	Confident	4 Å²	4	26.8 Å²	26.8	3%	0.027	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	15.8	-179.3	-61.5	0	0	0	0	114	L448 G507 L508 A509 H513 V514 M515	L448-C511 HydrophobicContact CB-CB 4.47Å; L448-C511 HydrophobicContact CD2-CB 4.41Å; G507-C511 WeakPolarHBondContact O-CB 3.13Å; G507-C511 PolarHBondContact O-N 3.46Å; L508-C511 CarbonylContact O-C 3.56Å; A509-C511 VanDerWaalsContact C-N 3.34Å; A509-C511 PolarHBondContact O-N 2.88Å; C511-H513 PolarHBondContact O-N 2.87Å; C511-H513 VanDerWaalsContact O-N 3.14Å; C511-V514 HydrophobicContact CB-CB 4.44Å; C511-V514 WeakPolarHBondContact O-CB 3.49Å; C511-V514 PolarHBondContact O-N 2.79Å; C511-M515 HydrophobicContact CB-CE 3.3Å; C511-M515 WeakPolarHBondContact O-CE 3.2Å; C511-M515 PolarHBondContact O-N 3.29Å; C511-M515 VanDerWaalsContact O-N 3.12Å
512	A	84.3	Confident	84.9	Confident	19 Å²	19	28 Å²	28	16%	0.157	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-33.6	-171.6	0	0	0	0	0	114	L508 A509 N516 L517	L508-A512 WeakPolarHBondContact O-CA 3.45Å; L508-A512 VanDerWaalsContact O-CB 3.28Å; L508-A512 WeakPolarHBondContact O-CB 3.48Å; L508-A512 PolarHBondContact O-N 2.88Å; A509-A512 WeakPolarHBondContact O-CB 3.26Å; A509-A512 PolarHBondContact O-N 3.35Å; A512-N516 PolarHBondContact O-N 2.67Å; A512-L517 HydrophobicContact CB-CB 4.27Å; A512-L517 HydrophobicContact CB-CD2 4.11Å; A512-L517 WeakPolarHBondContact O-CB 3.38Å; A512-L517 PolarHBondContact O-N 3.34Å
513	H	79.4	Confident	84.3	Confident	145 Å²	145	28.6 Å²	28.6	67%	0.671	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-41.8	176.2	63.5	-82.4	0	0	0	111.9	C511 M515 N516	C511-H513 PolarHBondContact O-N 2.87Å; C511-H513 VanDerWaalsContact O-N 3.14Å; H513-M515 VanDerWaalsContact C-N 3.34Å; H513-M515 PolarHBondContact O-N 3.01Å; H513-N516 PolarHBondContact O-N 2.99Å; H513-N516 VanDerWaalsContact O-N 3.16Å
514	V	79.1	Confident	83.7	Confident	51 Å²	51	29.9 Å²	29.9	31%	0.309	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-40.5	179	-175.3	0	0	0	0	111.6	M450 C511	M450-V514 HydrophobicContact CG-CG1 3.51Å; M450-V514 HydrophobicContact SD-CG1 4.09Å; C511-V514 HydrophobicContact CB-CB 4.44Å; C511-V514 WeakPolarHBondContact O-CB 3.49Å; C511-V514 PolarHBondContact O-N 2.79Å
515	M	75.3	Confident	83.1	Confident	6 Å²	6	31.3 Å²	31.3	3%	0.03	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-2.2	177.8	-82.5	167.8	-75.2	0	0	114.6	L448 M450 L470 L508 C511 H513 L517 I520	L448-M515 HydrophobicContact CD2-CE 3.55Å; L448-M515 HydrophobicContact CD2-CG 3.85Å; L448-M515 HydrophobicContact CD2-SD 3.62Å; M450-M515 HydrophobicContact CE-CB 4.43Å; M450-M515 HydrophobicContact CE-CG 3.76Å; M450-M515 HydrophobicContact SD-CG 3.68Å; L470-M515 HydrophobicContact CD1-CE 4.4Å; L470-M515 HydrophobicContact CD2-CE 3.85Å; L470-M515 HydrophobicContact CD2-SD 4.01Å; L508-M515 HydrophobicContact CD1-CE 3.32Å; L508-M515 HydrophobicContact CD1-SD 3.57Å; L508-M515 VanDerWaalsContact CD1-SD 3.57Å; C511-M515 HydrophobicContact CB-CE 3.3Å; C511-M515 WeakPolarHBondContact O-CE 3.2Å; C511-M515 PolarHBondContact O-N 3.29Å; C511-M515 VanDerWaalsContact O-N 3.12Å; H513-M515 VanDerWaalsContact C-N 3.34Å; H513-M515 PolarHBondContact O-N 3.01Å; M515-L517 VanDerWaalsContact C-N 3.27Å; M515-L517 PolarHBondContact O-N 2.81Å; M515-I520 HydrophobicContact CB-CD1 4.41Å; M515-I520 WeakPolarHBondContact O-CD1 3.49Å
516	N	77.7	Confident	82.4	Confident	71 Å²	71	35.8 Å²	35.8	38%	0.38	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	46.5	-170.8	-69.3	-66.7	0	0	0	112.6	M454 A512 H513 S518 T519 I520	M454-N516 PolarHBondContact SD-ND2 3.42Å; A512-N516 PolarHBondContact O-N 2.67Å; H513-N516 PolarHBondContact O-N 2.99Å; H513-N516 VanDerWaalsContact O-N 3.16Å; N516-S518 PolarHBondContact O-N 3.43Å; N516-S518 VanDerWaalsContact O-N 3.09Å; N516-T519 WeakPolarHBondContact O-CA 3.33Å; N516-T519 WeakPolarHBondContact O-CB 3.49Å; N516-T519 PolarHBondContact O-N 3.33Å; N516-I520 PolarHBondContact O-N 3.31Å
517	L	82.6	Confident	81.7	Confident	7 Å²	7	42.4 Å²	42.4	4%	0.037	24%	0.243	C	C	.	.	H	α-helix	trans	-53.8	-36.1	-171.1	179.3	61.3	0	0	0	113.4	L508 A512 M515 T519 I520 L521 F574 C578 F663	L508-L517 HydrophobicContact CD1-CD1 4.11Å; L508-L517 HydrophobicContact CD1-CD2 4.17Å; L508-L517 HydrophobicContact CD2-CD1 4.22Å; L508-L517 HydrophobicContact CG-CD1 4.28Å; L508-L517 HydrophobicContact CG-CD2 4.02Å; A512-L517 HydrophobicContact CB-CB 4.27Å; A512-L517 HydrophobicContact CB-CD2 4.11Å; A512-L517 WeakPolarHBondContact O-CB 3.38Å; A512-L517 PolarHBondContact O-N 3.34Å; M515-L517 VanDerWaalsContact C-N 3.27Å; M515-L517 PolarHBondContact O-N 2.81Å; L517-T519 VanDerWaalsContact C-N 3.29Å; L517-T519 PolarHBondContact O-N 3.39Å; L517-I520 PolarHBondContact O-N 3.41Å; L517-L521 HydrophobicContact CD1-CD1 3.85Å; L517-L521 HydrophobicContact CD1-CD2 4.22Å; L517-L521 HydrophobicContact CD1-CG 3.77Å; L517-L521 HydrophobicContact CD2-CD1 4.44Å; L517-L521 HydrophobicContact CG-CD1 3.89Å; L517-L521 HydrophobicContact CG-CG 4.19Å; L517-L521 WeakPolarHBondContact O-CG 3.44Å; L517-L521 PolarHBondContact O-N 2.88Å; L517-F574 HydrophobicContact CD2-CD1 4.24Å; L517-F574 HydrophobicContact CD2-CE1 4.09Å; L517-C578 HydrophobicContact CD2-CB 4.48Å; L517-F663 HydrophobicContact CD1-CZ 4.26Å
518	S	80.8	Confident	80.9	Confident	97 Å²	97	43.6 Å²	43.6	68%	0.678	25%	0.249	S	C	*	.	H	α-helix	trans	-57.4	-40.7	175.1	-52.5	0	0	0	0	112.6	N516 A522	N516-S518 PolarHBondContact O-N 3.43Å; N516-S518 VanDerWaalsContact O-N 3.09Å; S518-A522 VanDerWaalsContact O-CB 3.22Å; S518-A522 WeakPolarHBondContact O-CB 3.45Å; S518-A522 PolarHBondContact O-N 2.94Å
519	T	80	Confident	80.2	Confident	82 Å²	82	48.5 Å²	48.5	50%	0.503	27%	0.272	S	S	.	.	H	α-helix	trans	-71.8	-39.7	177.2	-51	0	0	0	0	111.1	N516 L517 A522 A523	N516-T519 WeakPolarHBondContact O-CA 3.33Å; N516-T519 WeakPolarHBondContact O-CB 3.49Å; N516-T519 PolarHBondContact O-N 3.33Å; L517-T519 VanDerWaalsContact C-N 3.29Å; L517-T519 PolarHBondContact O-N 3.39Å; T519-A522 PolarHBondContact O-N 3.24Å; T519-A523 WeakPolarHBondContact O-CB 3.37Å; T519-A523 PolarHBondContact O-N 2.95Å
520	I	81.1	Confident	79.3	Confident	4 Å²	4	51.5 Å²	51.5	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-59	-54.6	175.5	-66.1	177.6	0	0	0	110.8	L458 I463 M515 N516 L517 A522 A523 I524 F663	L458-I520 HydrophobicContact CD1-CG1 3.88Å; L458-I520 HydrophobicContact CD2-CB 4.33Å; L458-I520 HydrophobicContact CD2-CG1 4.05Å; I463-I520 HydrophobicContact CD1-CG2 4.2Å; I463-I520 HydrophobicContact CG1-CG1 4.45Å; I463-I520 HydrophobicContact CG1-CG2 4.27Å; I463-I520 HydrophobicContact CG2-CG2 4Å; M515-I520 HydrophobicContact CB-CD1 4.41Å; M515-I520 WeakPolarHBondContact O-CD1 3.49Å; N516-I520 PolarHBondContact O-N 3.31Å; L517-I520 PolarHBondContact O-N 3.41Å; I520-A522 VanDerWaalsContact C-N 3.33Å; I520-A522 PolarHBondContact O-N 3Å; I520-A523 PolarHBondContact O-N 3.37Å; I520-I524 HydrophobicContact CG2-CD1 3.88Å; I520-I524 WeakPolarHBondContact O-CG1 3.25Å; I520-I524 PolarHBondContact O-N 2.74Å; I520-F663 HydrophobicContact CG2-CE1 4.4Å
521	L	81.6	Confident	78.2	Confident	2 Å²	2	53 Å²	53	1%	0.01	31%	0.306	C	S	.	.	H	α-helix	trans	-67.8	-34.3	-177.1	-61.6	179	0	0	0	111.7	L517 I524 I525 I571 F574 Q575 F663	L517-L521 HydrophobicContact CD1-CD1 3.85Å; L517-L521 HydrophobicContact CD1-CD2 4.22Å; L517-L521 HydrophobicContact CD1-CG 3.77Å; L517-L521 HydrophobicContact CD2-CD1 4.44Å; L517-L521 HydrophobicContact CG-CD1 3.89Å; L517-L521 HydrophobicContact CG-CG 4.19Å; L517-L521 WeakPolarHBondContact O-CG 3.44Å; L517-L521 PolarHBondContact O-N 2.88Å; L521-I524 PolarHBondContact O-N 2.99Å; L521-I525 WeakPolarHBondContact O-CB 3.45Å; L521-I525 WeakPolarHBondContact O-CD1 3.45Å; L521-I525 WeakPolarHBondContact O-CG1 3.37Å; L521-I525 PolarHBondContact O-N 3.43Å; L521-I571 HydrophobicContact CB-CG2 4.06Å; L521-I571 HydrophobicContact CD1-CG2 4.38Å; L521-I571 HydrophobicContact CD2-CG1 4.5Å; L521-I571 HydrophobicContact CD2-CG2 4.19Å; L521-I571 HydrophobicContact CG-CG2 4.43Å; L521-F574 HydrophobicContact CD1-CD1 4.45Å; L521-Q575 HydrophobicContact CD1-CG 3.6Å; L521-F663 HydrophobicContact CD2-CZ 4.44Å
522	A	80.3	Confident	77.2	Confident	41 Å²	41	56.3 Å²	56.3	34%	0.339	33%	0.326	S	S	.	.	H	α-helix	trans	-64.2	-41.5	172.9	0	0	0	0	0	112.8	S518 T519 I520 I525 N526	S518-A522 VanDerWaalsContact O-CB 3.22Å; S518-A522 WeakPolarHBondContact O-CB 3.45Å; S518-A522 PolarHBondContact O-N 2.94Å; T519-A522 PolarHBondContact O-N 3.24Å; I520-A522 VanDerWaalsContact C-N 3.33Å; I520-A522 PolarHBondContact O-N 3Å; A522-I525 PolarHBondContact O-N 2.86Å; A522-N526 WeakPolarHBondContact O-CB 3.32Å; A522-N526 PolarHBondContact O-N 3.19Å; A522-N526 PolarHBondContact O-ND2 2.87Å
523	A	77.8	Confident	76	Confident	39 Å²	39	60.5 Å²	60.5	32%	0.322	34%	0.342	S	S	.	.	H	α-helix	trans	-64	-43.4	176.4	0	0	0	0	0	112	L458 T519 I520 N526 H527	L458-A523 HydrophobicContact CD2-CB 3.63Å; T519-A523 WeakPolarHBondContact O-CB 3.37Å; T519-A523 PolarHBondContact O-N 2.95Å; I520-A523 PolarHBondContact O-N 3.37Å; A523-N526 PolarHBondContact O-N 3.36Å; A523-H527 PolarHBondContact O-N 3.01Å
524	I	77.9	Confident	75	Confident	28 Å²	28	59 Å²	59	14%	0.144	34%	0.339	C	S	.	.	H	α-helix	trans	-63.4	-45.4	176	-65	168.4	0	0	0	110.8	I520 L521 N526 H527 L528 I571 L662	I520-I524 HydrophobicContact CG2-CD1 3.88Å; I520-I524 WeakPolarHBondContact O-CG1 3.25Å; I520-I524 PolarHBondContact O-N 2.74Å; L521-I524 PolarHBondContact O-N 2.99Å; I524-N526 VanDerWaalsContact C-N 3.35Å; I524-N526 PolarHBondContact O-N 3.4Å; I524-H527 PolarHBondContact O-N 3.1Å; I524-L528 HydrophobicContact CG2-CD1 3.85Å; I524-L528 HydrophobicContact CG2-CG 4.36Å; I524-L528 WeakPolarHBondContact O-CB 3.47Å; I524-L528 VanDerWaalsContact O-CG 3.3Å; I524-L528 WeakPolarHBondContact O-CG 3.28Å; I524-L528 PolarHBondContact O-N 3.49Å; I524-I571 HydrophobicContact CG2-CD1 3.79Å; I524-L662 HydrophobicContact CD1-CD2 4.33Å; I524-L662 HydrophobicContact CG2-CD2 3.84Å
525	I	80.3	Confident	73.7	Confident	30 Å²	30	59.4 Å²	59.4	15%	0.154	35%	0.353	C	S	.	.	H	α-helix	trans	-55.9	-48.2	174.8	-75.4	164.4	0	0	0	111	L521 A522 H527 L528 Q529 M568 I571	L521-I525 WeakPolarHBondContact O-CB 3.45Å; L521-I525 WeakPolarHBondContact O-CD1 3.45Å; L521-I525 WeakPolarHBondContact O-CG1 3.37Å; L521-I525 PolarHBondContact O-N 3.43Å; A522-I525 PolarHBondContact O-N 2.86Å; I525-H527 PolarHBondContact O-N 3.37Å; I525-L528 PolarHBondContact O-N 3.44Å; I525-Q529 HydrophobicContact CG2-CG 4.36Å; I525-Q529 WeakPolarHBondContact O-CB 3.36Å; I525-Q529 VanDerWaalsContact O-CG 3.28Å; I525-Q529 WeakPolarHBondContact O-CG 3.37Å; I525-Q529 PolarHBondContact O-N 3.26Å; I525-M568 HydrophobicContact CB-SD 4.43Å; I525-M568 HydrophobicContact CG1-CE 4.38Å; I525-M568 HydrophobicContact CG1-SD 3.94Å; I525-M568 HydrophobicContact CG2-CE 4.08Å; I525-M568 HydrophobicContact CG2-SD 4.38Å; I525-I571 HydrophobicContact CD1-CG2 3.83Å; I525-I571 HydrophobicContact CG1-CD1 4.29Å; I525-I571 HydrophobicContact CG1-CG2 4.05Å
526	N	78.3	Confident	72.5	Confident	95 Å²	95	65 Å²	65	51%	0.508	38%	0.381	S	S	.	.	H	α-helix	trans	-62.9	-44	-179.3	-69.7	-21.9	0	0	0	111.7	A522 A523 I524 Q529 S530	A522-N526 WeakPolarHBondContact O-CB 3.32Å; A522-N526 PolarHBondContact O-N 3.19Å; A522-N526 PolarHBondContact O-ND2 2.87Å; A523-N526 PolarHBondContact O-N 3.36Å; I524-N526 VanDerWaalsContact C-N 3.35Å; I524-N526 PolarHBondContact O-N 3.4Å; N526-Q529 PolarHBondContact O-N 3.39Å; N526-S530 PolarHBondContact O-N 2.81Å; N526-S530 PolarHBondContact O-OG 2.93Å
527	H	75.6	Confident	71.1	Confident	139 Å²	139	67.1 Å²	67.1	64%	0.644	39%	0.392	S	S	*	.	H	α-helix	trans	-60.9	-46	176.3	178.5	-93.7	0	0	0	112.1	A523 I524 I525 Q529 S530 S531	A523-H527 PolarHBondContact O-N 3.01Å; I524-H527 PolarHBondContact O-N 3.1Å; I525-H527 PolarHBondContact O-N 3.37Å; H527-Q529 PolarHBondContact O-N 3.16Å; H527-S530 PolarHBondContact O-N 2.65Å; H527-S531 PolarHBondContact O-N 3.07Å
528	L	73.4	Confident	69.3	Low	26 Å²	26	75 Å²	75	14%	0.136	43%	0.429	C	S	.	.	H	α-helix	trans	-61.3	-43.7	176	-70.4	170.4	0	0	0	111.5	I524 I525 S531 V532 V564 V567 M568 I571	I524-L528 HydrophobicContact CG2-CD1 3.85Å; I524-L528 HydrophobicContact CG2-CG 4.36Å; I524-L528 WeakPolarHBondContact O-CB 3.47Å; I524-L528 VanDerWaalsContact O-CG 3.3Å; I524-L528 WeakPolarHBondContact O-CG 3.28Å; I524-L528 PolarHBondContact O-N 3.49Å; I525-L528 PolarHBondContact O-N 3.44Å; L528-S531 PolarHBondContact O-N 3.24Å; L528-S531 PolarHBondContact O-OG 3.07Å; L528-V532 WeakPolarHBondContact O-CG2 3.46Å; L528-V532 PolarHBondContact O-N 2.79Å; L528-V532 VanDerWaalsContact O-N 3.1Å; L528-V564 HydrophobicContact CB-CG1 4.17Å; L528-V564 HydrophobicContact CD2-CG1 4.4Å; L528-V564 HydrophobicContact CD2-CG2 4.37Å; L528-V567 HydrophobicContact CD1-CB 4.47Å; L528-V567 HydrophobicContact CD1-CG1 3.68Å; L528-M568 HydrophobicContact CD1-CG 4.45Å; L528-M568 HydrophobicContact CD1-SD 4.15Å; L528-I571 HydrophobicContact CD1-CD1 3.97Å
529	Q	73.4	Confident	67.4	Low	103 Å²	103	79.8 Å²	79.8	48%	0.481	43%	0.432	S	S	.	.	H	α-helix	trans	-62.8	-43.9	177.9	-74.8	176.8	1.9	0	0	112.6	I525 N526 H527 S531 V532 Q533	I525-Q529 HydrophobicContact CG2-CG 4.36Å; I525-Q529 WeakPolarHBondContact O-CB 3.36Å; I525-Q529 VanDerWaalsContact O-CG 3.28Å; I525-Q529 WeakPolarHBondContact O-CG 3.37Å; I525-Q529 PolarHBondContact O-N 3.26Å; N526-Q529 PolarHBondContact O-N 3.39Å; H527-Q529 PolarHBondContact O-N 3.16Å; Q529-S531 PolarHBondContact O-N 3.33Å; Q529-V532 PolarHBondContact O-N 2.69Å; Q529-Q533 PolarHBondContact O-N 3.06Å; Q529-Q533 VanDerWaalsContact O-N 3.08Å
530	S	70.8	Confident	65.7	Low	70 Å²	70	82.1 Å²	82.1	49%	0.49	45%	0.449	S	S	.	.	H	α-helix	trans	-58.7	-47.4	173.1	-63.8	0	0	0	0	111.7	N526 H527 V532 Q533 D534	N526-S530 PolarHBondContact O-N 2.81Å; N526-S530 PolarHBondContact O-OG 2.93Å; H527-S530 PolarHBondContact O-N 2.65Å; S530-V532 PolarHBondContact O-N 3.19Å; S530-Q533 PolarHBondContact O-N 2.73Å; S530-D534 PolarHBondContact O-N 3.19Å
531	S	65.6	Low	63.9	Low	55 Å²	55	93.2 Å²	93.2	39%	0.385	49%	0.49	S	S	.	.	H	α-helix	trans	-61.8	-28.5	-179.7	75.7	0	0	0	0	113.9	H527 L528 Q529	H527-S531 PolarHBondContact O-N 3.07Å; L528-S531 PolarHBondContact O-N 3.24Å; L528-S531 PolarHBondContact O-OG 3.07Å; Q529-S531 PolarHBondContact O-N 3.33Å
532	V	65.1	Low	62.2	Low	73 Å²	73	100.7 Å²	100.7	44%	0.442	53%	0.525	S	S	.	.	H	α-helix	trans	-77.4	-37.1	174	169.9	0	0	0	0	111.5	L528 Q529 S530 M536 V564	L528-V532 WeakPolarHBondContact O-CG2 3.46Å; L528-V532 PolarHBondContact O-N 2.79Å; L528-V532 VanDerWaalsContact O-N 3.1Å; Q529-V532 PolarHBondContact O-N 2.69Å; S530-V532 PolarHBondContact O-N 3.19Å; V532-M536 PolarHBondContact O-N 3.1Å; V532-V564 HydrophobicContact CG2-CB 4.14Å; V532-V564 HydrophobicContact CG2-CG1 3.76Å; V532-V564 HydrophobicContact CG2-CG2 4.07Å
533	Q	60.6	Low	60.1	Low	107 Å²	107	107.4 Å²	107.4	50%	0.5	55%	0.549	S	S	.	.	H	α-helix	trans	-68.3	-46.2	178.2	-176.4	58.6	48.5	0	0	111.7	Q529 S530 G535 M536 D537	Q529-Q533 PolarHBondContact O-N 3.06Å; Q529-Q533 VanDerWaalsContact O-N 3.08Å; S530-Q533 PolarHBondContact O-N 2.73Å; Q533-G535 PolarHBondContact O-N 2.94Å; Q533-M536 WeakPolarHBondContact O-CB 3.22Å; Q533-M536 PolarHBondContact O-N 3.05Å; Q533-D537 PolarHBondContact NE2-OD2 3.46Å; Q533-D537 PolarHBondContact O-N 3.46Å
534	D	56.9	Low	58.5	Low	112 Å²	112	112.6 Å²	112.6	60%	0.599	57%	0.57	S	S	*	*	H	α-helix	trans	-60.6	-31	177.8	-70.1	-33	0	0	0	112.4	S530 M536	S530-D534 PolarHBondContact O-N 3.19Å; D534-M536 VanDerWaalsContact C-N 3.29Å; D534-M536 PolarHBondContact O-N 3Å
535	G	52.2	Low	56.5	Low	60 Å²	60	117.4 Å²	117.4	62%	0.619	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-16.7	173.4	0	0	0	0	0	114.8	Q533	Q533-G535 PolarHBondContact O-N 2.94Å
536	M	51	Low	54.8	Low	125 Å²	125	123 Å²	123	62%	0.616	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-28.3	-176.9	-168.6	62.7	158.5	0	0	113	V532 Q533 D534	V532-M536 PolarHBondContact O-N 3.1Å; Q533-M536 WeakPolarHBondContact O-CB 3.22Å; Q533-M536 PolarHBondContact O-N 3.05Å; D534-M536 VanDerWaalsContact C-N 3.29Å; D534-M536 PolarHBondContact O-N 3Å
537	D	47.4	Very low	53	Low	115 Å²	115	121.2 Å²	121.2	62%	0.615	64%	0.641	S	S	*	*	S	Bend	trans	-83.4	-8.4	-177.1	-83.4	-58	0	0	0	114.4	Q533 R539	Q533-D537 PolarHBondContact NE2-OD2 3.46Å; Q533-D537 PolarHBondContact O-N 3.46Å; D537-R539 PolarHBondContact O-N 3.37Å
538	Q	44.4	Very low	51	Low	171 Å²	171	123.9 Å²	123.9	80%	0.799	65%	0.653	S	S	*	*			trans	-75	54.9	172.6	-65.4	-162.1	34.8	0	0	113.8
539	R	42.1	Very low	49.5	Very low	199 Å²	199	131.9 Å²	131.9	75%	0.751	69%	0.687	S	S	*	*			trans	-89.3	116	159.5	-66.7	-169	-173.3	-167.4	4.2	109.3	D537 R541	D537-R539 PolarHBondContact O-N 3.37Å; R539-R541 PolarHBondContact O-N 2.92Å
540	P	43.8	Very low	47.6	Very low	131 Å²	131	135.5 Å²	135.5	85%	0.851	70%	0.703	S	S	*	*			trans	-66.1	107.5	-178	25.6	-33.7	0	0	0	111.3	H542	P540-H542 PolarHBondContact O-N 3.03Å; P540-H542 VanDerWaalsContact O-N 3.14Å
541	R	43.8	Very low	46.3	Very low	237 Å²	237	140.8 Å²	140.8	89%	0.894	72%	0.72	S	S	*	*			trans	-70.9	105.1	169.6	-92.7	-173.6	169.2	176.5	-0.7	109.9	R539	R539-R541 PolarHBondContact O-N 2.92Å
542	H	45.8	Very low	45.1	Very low	159 Å²	159	146.2 Å²	146.2	74%	0.736	75%	0.745	S	S	*	*			trans	49.4	101.4	158.7	-64.1	-92.5	0	0	0	117.6	P540	P540-H542 PolarHBondContact O-N 3.03Å; P540-H542 VanDerWaalsContact O-N 3.14Å
543	H	35.8	Very low	43.5	Very low	182 Å²	182	146.2 Å²	146.2	84%	0.843	76%	0.76	S	S	*	*				-130.9	129.2	127.3	-139.2	-73.9	0	0	0	109.9
544	L	44.9	Very low	42.4	Very low	148 Å²	148	145.1 Å²	145.1	78%	0.775	76%	0.764	S	S	*	*			trans	-80.1	118.7	171.6	-89.3	70.2	0	0	0	108.6
545	T	35.3	Very low	41.4	Very low	129 Å²	129	149.2 Å²	149.2	79%	0.791	78%	0.777	S	S	*	*			trans	-144.6	137.4	154	-54.4	0	0	0	0	108
546	V	44.7	Very low	40.8	Very low	146 Å²	146	149.5 Å²	149.5	89%	0.885	77%	0.769	S	S	*	*			trans	-90	125.3	-173.8	174.3	0	0	0	0	111.2
547	G	39.6	Very low	40.4	Very low	59 Å²	59	148.7 Å²	148.7	61%	0.608	77%	0.767	S	S	*	*			trans	79.5	109.9	149.9	0	0	0	0	0	117.3
548	H	35.4	Very low	40.1	Very low	195 Å²	195	152 Å²	152	90%	0.903	78%	0.776	S	S	*	*				-153	147	111	-112.2	-84.6	0	0	0	109.5	H550	H548-H550 PolarHBondContact O-N 3.31Å
549	K	40.8	Very low	40.2	Very low	193 Å²	193	149.9 Å²	149.9	84%	0.839	77%	0.77	S	S	*	*			trans	-77.6	120	172.2	-73.1	-172.7	177	-172	0	109.3
550	H	33.2	Very low	41.2	Very low	180 Å²	180	143.8 Å²	143.8	83%	0.833	76%	0.758	S	S	*	*			trans	-133	103.5	157.3	-109.1	-100.2	0	0	0	108.5	H548 N552	H548-H550 PolarHBondContact O-N 3.31Å; H550-N552 PolarHBondContact O-N 3.09Å
551	E	43.6	Very low	42.4	Very low	180 Å²	180	139.7 Å²	139.7	84%	0.841	74%	0.739	S	S	*	*			trans	-78	102.4	167.4	-69.7	176	119.4	0	0	107.9
552	N	39.6	Very low	43.9	Very low	170 Å²	170	132.3 Å²	132.3	91%	0.909	72%	0.715	S	S	*	*			trans	177.4	105.2	154.9	-91.6	-29.2	0	0	0	108.5	H550	H550-N552 PolarHBondContact O-N 3.09Å
553	G	33.5	Very low	45.5	Very low	73 Å²	73	131.4 Å²	131.4	75%	0.753	71%	0.705	S	S	*	*			trans	-160.2	142.1	-177.1	0	0	0	0	0	114
554	S	37	Very low	47.6	Very low	84 Å²	84	123.8 Å²	123.8	59%	0.587	67%	0.671	S	S	*	*			trans	32.9	88.8	171.1	52.9	0	0	0	0	119	D557	S554-D557 WeakPolarHBondContact CB-OD2 3.2Å
555	K	36.4	Very low	49.4	Very low	198 Å²	198	121.8 Å²	121.8	86%	0.861	66%	0.656	S	S	*	*	S	Bend	trans	-91.6	-5.2	152.1	-152.5	177.6	-178	-175.7	0	112.6
556	S	38.1	Very low	51.7	Low	66 Å²	66	120.1 Å²	120.1	46%	0.462	64%	0.639	S	S	.	*	S	Bend	trans	-68.8	-53.1	-177.2	39	0	0	0	0	113.6	K558 L559	S556-K558 VanDerWaalsContact C-N 3.27Å; S556-K558 PolarHBondContact O-N 2.92Å; S556-K558 VanDerWaalsContact O-N 3.17Å; S556-L559 VanDerWaalsContact O-CB 3.29Å; S556-L559 WeakPolarHBondContact O-CB 3.28Å; S556-L559 PolarHBondContact O-N 3.37Å
557	D	43.1	Very low	53.6	Low	108 Å²	108	113.5 Å²	113.5	58%	0.578	60%	0.6	S	S	*	*	H	α-helix	trans	-73.1	-24.5	-154.7	-41.7	-23.6	0	0	0	112.4	S554 L559 S560	S554-D557 WeakPolarHBondContact CB-OD2 3.2Å; D557-L559 PolarHBondContact O-N 2.91Å; D557-S560 PolarHBondContact O-N 3.12Å
558	K	42	Very low	55.7	Low	183 Å²	183	113.5 Å²	113.5	80%	0.796	58%	0.584	S	S	*	*	H	α-helix	trans	-68.6	-19.7	173.6	-68.7	-175.5	177.6	179.3	0	113.7	S556	S556-K558 VanDerWaalsContact C-N 3.27Å; S556-K558 PolarHBondContact O-N 2.92Å; S556-K558 VanDerWaalsContact O-N 3.17Å
559	L	45.9	Very low	58.1	Low	127 Å²	127	108.3 Å²	108.3	67%	0.665	56%	0.56	S	S	*	*	H	α-helix	trans	-75.7	-33.5	179	-59.9	172.5	0	0	0	111.6	S556 D557 R563	S556-L559 VanDerWaalsContact O-CB 3.29Å; S556-L559 WeakPolarHBondContact O-CB 3.28Å; S556-L559 PolarHBondContact O-N 3.37Å; D557-L559 PolarHBondContact O-N 2.91Å; L559-R563 VanDerWaalsContact O-CB 3.31Å; L559-R563 WeakPolarHBondContact O-CB 3.3Å; L559-R563 PolarHBondContact O-N 3.14Å
560	S	62.6	Low	60.3	Low	72 Å²	72	99.3 Å²	99.3	50%	0.503	52%	0.522	S	S	.	.	H	α-helix	trans	-63.3	-52.9	179.2	-177.5	0	0	0	0	111.7	D557 E562 R563 V564	D557-S560 PolarHBondContact O-N 3.12Å; S560-E562 PolarHBondContact O-N 3.42Å; S560-R563 PolarHBondContact O-N 2.94Å; S560-R563 VanDerWaalsContact O-N 3.16Å; S560-V564 WeakPolarHBondContact O-CG2 3.44Å; S560-V564 PolarHBondContact O-N 3.48Å
561	G	69.8	Low	62.9	Low	45 Å²	45	90.8 Å²	90.8	46%	0.464	48%	0.482	S	S	.	.	H	α-helix	trans	-61.5	-38.2	-176.4	0	0	0	0	0	114.4	K565	G561-K565 WeakPolarHBondContact O-CB 3.32Å; G561-K565 PolarHBondContact O-N 2.9Å; G561-K565 VanDerWaalsContact O-N 3.16Å
562	E	75.4	Confident	64.9	Low	82 Å²	82	89.9 Å²	89.9	38%	0.383	47%	0.471	S	S	.	.	H	α-helix	trans	-76	-34.2	176.4	-174	58.5	-147.6	0	0	111.8	S560 K565 Q566	S560-E562 PolarHBondContact O-N 3.42Å; E562-K565 PolarHBondContact O-N 3.26Å; E562-K565 IonicContact OE1-NZ 2.75Å; E562-K565 PolarHBondContact OE1-NZ 3.32Å; E562-K565 IonicContact OE2-NZ 3.38Å; E562-K565 PolarHBondContact OE2-NZ 2.68Å; E562-Q566 VanDerWaalsContact O-CG 3.3Å; E562-Q566 WeakPolarHBondContact O-CG 3.44Å; E562-Q566 PolarHBondContact O-N 2.91Å; E562-Q566 PolarHBondContact OE1-NE2 3.42Å
563	R	78.8	Confident	67.2	Low	139 Å²	139	85 Å²	85	53%	0.525	44%	0.441	S	S	.	.	H	α-helix	trans	-64.2	-47.9	173.1	-170.8	179.6	-170.7	138.3	8.3	111.5	L559 S560 K565 Q566 V567 E661	L559-R563 VanDerWaalsContact O-CB 3.31Å; L559-R563 WeakPolarHBondContact O-CB 3.3Å; L559-R563 PolarHBondContact O-N 3.14Å; S560-R563 PolarHBondContact O-N 2.94Å; S560-R563 VanDerWaalsContact O-N 3.16Å; R563-K565 VanDerWaalsContact C-N 3.27Å; R563-K565 PolarHBondContact O-N 3.05Å; R563-Q566 WeakPolarHBondContact O-CB 3.38Å; R563-Q566 PolarHBondContact O-N 2.94Å; R563-Q566 VanDerWaalsContact O-N 3.09Å; R563-V567 WeakPolarHBondContact O-CG2 3.38Å; R563-V567 PolarHBondContact O-N 3.31Å; R563-E661 IonicContact CZ-OE1 3.15Å; R563-E661 IonicContact CZ-OE2 2.86Å; R563-E661 IonicContact NE-OE1 2.66Å; R563-E661 PolarHBondContact NE-OE1 2.9Å; R563-E661 IonicContact NE-OE2 2.69Å; R563-E661 PolarHBondContact NE-OE2 2.96Å; R563-E661 IonicContact NH2-OE1 3.75Å; R563-E661 PolarHBondContact NH2-OE1 3.36Å; R563-E661 IonicContact NH2-OE2 3.4Å; R563-E661 PolarHBondContact NH2-OE2 3.42Å
564	V	79.9	Confident	69.7	Low	22 Å²	22	81.5 Å²	81.5	13%	0.133	41%	0.406	C	S	.	.	H	α-helix	trans	-60.4	-39.4	176.6	177.2	0	0	0	0	110.9	L528 V532 S560 Q566 V567 M568	L528-V564 HydrophobicContact CB-CG1 4.17Å; L528-V564 HydrophobicContact CD2-CG1 4.4Å; L528-V564 HydrophobicContact CD2-CG2 4.37Å; V532-V564 HydrophobicContact CG2-CB 4.14Å; V532-V564 HydrophobicContact CG2-CG1 3.76Å; V532-V564 HydrophobicContact CG2-CG2 4.07Å; S560-V564 WeakPolarHBondContact O-CG2 3.44Å; S560-V564 PolarHBondContact O-N 3.48Å; V564-Q566 PolarHBondContact O-N 3.2Å; V564-V567 PolarHBondContact O-N 3.02Å; V564-M568 HydrophobicContact CG1-CG 4.08Å; V564-M568 WeakPolarHBondContact O-CB 3.41Å; V564-M568 WeakPolarHBondContact O-CG 3.29Å; V564-M568 PolarHBondContact O-N 3.04Å
565	K	81.9	Confident	72.1	Confident	107 Å²	107	80.3 Å²	80.3	47%	0.465	39%	0.391	S	S	.	.	H	α-helix	trans	-60.6	-43	173.3	169.3	168.4	154.2	-86.7	0	112.6	G561 E562 R563 M568 E569	G561-K565 WeakPolarHBondContact O-CB 3.32Å; G561-K565 PolarHBondContact O-N 2.9Å; G561-K565 VanDerWaalsContact O-N 3.16Å; E562-K565 PolarHBondContact O-N 3.26Å; E562-K565 IonicContact OE1-NZ 2.75Å; E562-K565 PolarHBondContact OE1-NZ 3.32Å; E562-K565 IonicContact OE2-NZ 3.38Å; E562-K565 PolarHBondContact OE2-NZ 2.68Å; R563-K565 VanDerWaalsContact C-N 3.27Å; R563-K565 PolarHBondContact O-N 3.05Å; K565-M568 PolarHBondContact O-N 3.05Å; K565-E569 WeakPolarHBondContact O-CB 3.45Å; K565-E569 PolarHBondContact O-N 2.87Å
566	Q	84.4	Confident	74.5	Confident	93 Å²	93	74.3 Å²	74.3	44%	0.435	37%	0.366	S	S	.	.	H	α-helix	trans	-65.2	-42.3	176.2	-71.7	168.6	11.6	0	0	112.5	E562 R563 V564 E569 H570 I658	E562-Q566 VanDerWaalsContact O-CG 3.3Å; E562-Q566 WeakPolarHBondContact O-CG 3.44Å; E562-Q566 PolarHBondContact O-N 2.91Å; E562-Q566 PolarHBondContact OE1-NE2 3.42Å; R563-Q566 WeakPolarHBondContact O-CB 3.38Å; R563-Q566 PolarHBondContact O-N 2.94Å; R563-Q566 VanDerWaalsContact O-N 3.09Å; V564-Q566 PolarHBondContact O-N 3.2Å; Q566-E569 PolarHBondContact O-N 2.7Å; Q566-H570 WeakPolarHBondContact O-CB 3.44Å; Q566-H570 PolarHBondContact O-N 3.38Å; Q566-I658 HydrophobicContact CB-CD1 4.36Å
567	V	85.1	Confident	77	Confident	8 Å²	8	71.4 Å²	71.4	5%	0.048	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-44.8	175.7	176.1	0	0	0	0	110.9	L528 R563 V564 E569 H570 I571 I658 L662	L528-V567 HydrophobicContact CD1-CB 4.47Å; L528-V567 HydrophobicContact CD1-CG1 3.68Å; R563-V567 WeakPolarHBondContact O-CG2 3.38Å; R563-V567 PolarHBondContact O-N 3.31Å; V564-V567 PolarHBondContact O-N 3.02Å; V567-E569 PolarHBondContact O-N 3.02Å; V567-H570 PolarHBondContact O-N 3.32Å; V567-I571 HydrophobicContact CG1-CD1 3.95Å; V567-I571 HydrophobicContact CG1-CG1 4.46Å; V567-I571 WeakPolarHBondContact O-CG1 3.33Å; V567-I571 PolarHBondContact O-N 3.2Å; V567-I658 HydrophobicContact CG2-CG2 4.24Å; V567-L662 HydrophobicContact CG1-CD2 3.81Å; V567-L662 HydrophobicContact CG1-CG 4.42Å
568	M	83	Confident	79.2	Confident	58 Å²	58	66.6 Å²	66.6	29%	0.286	32%	0.32	S	S	.	.	H	α-helix	trans	-64.2	-37.5	176.4	-70.6	-75.2	-74.1	0	0	112.7	I525 L528 V564 K565 W572	I525-M568 HydrophobicContact CB-SD 4.43Å; I525-M568 HydrophobicContact CG1-CE 4.38Å; I525-M568 HydrophobicContact CG1-SD 3.94Å; I525-M568 HydrophobicContact CG2-CE 4.08Å; I525-M568 HydrophobicContact CG2-SD 4.38Å; L528-M568 HydrophobicContact CD1-CG 4.45Å; L528-M568 HydrophobicContact CD1-SD 4.15Å; V564-M568 HydrophobicContact CG1-CG 4.08Å; V564-M568 WeakPolarHBondContact O-CB 3.41Å; V564-M568 WeakPolarHBondContact O-CG 3.29Å; V564-M568 PolarHBondContact O-N 3.04Å; K565-M568 PolarHBondContact O-N 3.05Å; M568-W572 WeakPolarHBondContact O-CB 3.2Å; M568-W572 PolarHBondContact O-N 3.18Å
569	E	86.7	Confident	81.4	Confident	86 Å²	86	62 Å²	62	40%	0.402	30%	0.304	S	S	.	.	H	α-helix	trans	-66.3	-37.8	173.7	-167	-170.1	128.8	0	0	111.7	K565 Q566 V567 W572 K573	K565-E569 WeakPolarHBondContact O-CB 3.45Å; K565-E569 PolarHBondContact O-N 2.87Å; Q566-E569 PolarHBondContact O-N 2.7Å; V567-E569 PolarHBondContact O-N 3.02Å; E569-W572 PolarHBondContact O-N 3.02Å; E569-K573 WeakPolarHBondContact O-CG 3.15Å; E569-K573 PolarHBondContact O-N 3.16Å; E569-K573 WeakPolarHBondContact OE1-CE 3.38Å; E569-K573 IonicContact OE1-NZ 3.26Å; E569-K573 PolarHBondContact OE1-NZ 3.4Å
570	H	86.7	Confident	83.5	Confident	5 Å²	5	56.2 Å²	56.2	2%	0.023	27%	0.274	C	S	.	.	H	α-helix	trans	-67.2	-47.8	174.7	-171	-75.4	0	0	0	111.7	Q566 V567 W572 K573 F574 N655 I658 T659	Q566-H570 WeakPolarHBondContact O-CB 3.44Å; Q566-H570 PolarHBondContact O-N 3.38Å; V567-H570 PolarHBondContact O-N 3.32Å; H570-W572 VanDerWaalsContact C-N 3.27Å; H570-W572 PolarHBondContact O-N 2.97Å; H570-K573 WeakPolarHBondContact O-CB 3.11Å; H570-K573 PolarHBondContact O-N 2.91Å; H570-K573 VanDerWaalsContact O-N 3.13Å; H570-F574 WeakPolarHBondContact O-CB 3.27Å; H570-F574 PolarHBondContact O-N 3.4Å; H570-N655 PolarHBondContact NE2-O 2.82Å; H570-I658 HydrophobicContact CB-CB 4.4Å; H570-I658 HydrophobicContact CB-CD1 4.31Å; H570-I658 HydrophobicContact CB-CG2 3.65Å; H570-T659 PolarHBondContact CE1-OG1 3.27Å; H570-T659 PolarHBondContact NE2-OG1 3.35Å
571	I	86.7	Confident	84.7	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-55.4	-43	173.7	-67.3	166	0	0	0	110.9	L521 I524 I525 L528 V567 F574 Q575 L662	L521-I571 HydrophobicContact CB-CG2 4.06Å; L521-I571 HydrophobicContact CD1-CG2 4.38Å; L521-I571 HydrophobicContact CD2-CG1 4.5Å; L521-I571 HydrophobicContact CD2-CG2 4.19Å; L521-I571 HydrophobicContact CG-CG2 4.43Å; I524-I571 HydrophobicContact CG2-CD1 3.79Å; I525-I571 HydrophobicContact CD1-CG2 3.83Å; I525-I571 HydrophobicContact CG1-CD1 4.29Å; I525-I571 HydrophobicContact CG1-CG2 4.05Å; L528-I571 HydrophobicContact CD1-CD1 3.97Å; V567-I571 HydrophobicContact CG1-CD1 3.95Å; V567-I571 HydrophobicContact CG1-CG1 4.46Å; V567-I571 WeakPolarHBondContact O-CG1 3.33Å; V567-I571 PolarHBondContact O-N 3.2Å; I571-F574 VanDerWaalsContact O-CB 3.28Å; I571-F574 WeakPolarHBondContact O-CB 3.31Å; I571-F574 PolarHBondContact O-N 2.86Å; I571-Q575 HydrophobicContact CG2-CG 4.49Å; I571-Q575 WeakPolarHBondContact O-CG 3.19Å; I571-Q575 PolarHBondContact O-N 2.93Å; I571-L662 HydrophobicContact CD1-CD2 3.95Å; I571-L662 HydrophobicContact CG1-CD1 4Å; I571-L662 HydrophobicContact CG1-CD2 3.98Å
572	W	87	Confident	85.6	Confident	161 Å²	161	55.2 Å²	55.2	61%	0.61	26%	0.256	S	S	*	.	H	α-helix	trans	-64.5	-43.7	177.3	179.4	79.2	0	0	0	112.7	M568 E569 H570 F574 Q575 E576	M568-W572 WeakPolarHBondContact O-CB 3.2Å; M568-W572 PolarHBondContact O-N 3.18Å; E569-W572 PolarHBondContact O-N 3.02Å; H570-W572 VanDerWaalsContact C-N 3.27Å; H570-W572 PolarHBondContact O-N 2.97Å; W572-F574 VanDerWaalsContact C-N 3.27Å; W572-F574 PolarHBondContact O-N 3.41Å; W572-Q575 PolarHBondContact O-N 3.17Å; W572-E576 PolarHBondContact O-N 3.2Å
573	K	86.5	Confident	86.2	Confident	66 Å²	66	58.4 Å²	58.4	29%	0.287	27%	0.265	S	S	.	.	H	α-helix	trans	-58.5	-42	172.1	-71.3	166.1	-173.6	164.8	0	111	E569 H570 E576 F577 M654	E569-K573 WeakPolarHBondContact O-CG 3.15Å; E569-K573 PolarHBondContact O-N 3.16Å; E569-K573 WeakPolarHBondContact OE1-CE 3.38Å; E569-K573 IonicContact OE1-NZ 3.26Å; E569-K573 PolarHBondContact OE1-NZ 3.4Å; H570-K573 WeakPolarHBondContact O-CB 3.11Å; H570-K573 PolarHBondContact O-N 2.91Å; H570-K573 VanDerWaalsContact O-N 3.13Å; K573-E576 PolarHBondContact O-N 3.15Å; K573-F577 WeakPolarHBondContact O-CB 3.08Å; K573-F577 PolarHBondContact O-N 3.27Å; K573-M654 HydrophobicContact CB-CE 4.17Å; K573-M654 HydrophobicContact CB-SD 3.96Å
574	F	87.1	Confident	86.6	Confident	1 Å²	1	52.1 Å²	52.1	0%	0.004	24%	0.241	C	C	.	.	H	α-helix	trans	-59.6	-47.8	178.1	-145	-66.2	0	0	0	111.7	I505 L508 L517 L521 H570 I571 W572 F577 C578 F663	I505-F574 HydrophobicContact CB-CZ 4.18Å; I505-F574 HydrophobicContact CD1-CD2 4.49Å; I505-F574 HydrophobicContact CD1-CE2 3.79Å; I505-F574 HydrophobicContact CD1-CZ 4.32Å; I505-F574 HydrophobicContact CG1-CE2 3.6Å; I505-F574 HydrophobicContact CG1-CZ 3.66Å; I505-F574 HydrophobicContact CG2-CE1 4.36Å; I505-F574 HydrophobicContact CG2-CE2 4.31Å; I505-F574 HydrophobicContact CG2-CZ 3.92Å; L508-F574 HydrophobicContact CB-CE1 4.38Å; L508-F574 HydrophobicContact CB-CZ 4.3Å; L508-F574 HydrophobicContact CD2-CE1 3.77Å; L508-F574 HydrophobicContact CD2-CZ 3.55Å; L508-F574 HydrophobicContact CG-CE1 3.88Å; L508-F574 HydrophobicContact CG-CZ 4.03Å; L517-F574 HydrophobicContact CD2-CD1 4.24Å; L517-F574 HydrophobicContact CD2-CE1 4.09Å; L521-F574 HydrophobicContact CD1-CD1 4.45Å; H570-F574 WeakPolarHBondContact O-CB 3.27Å; H570-F574 PolarHBondContact O-N 3.4Å; I571-F574 VanDerWaalsContact O-CB 3.28Å; I571-F574 WeakPolarHBondContact O-CB 3.31Å; I571-F574 PolarHBondContact O-N 2.86Å; W572-F574 VanDerWaalsContact C-N 3.27Å; W572-F574 PolarHBondContact O-N 3.41Å; F574-F577 PolarHBondContact O-N 3.18Å; F574-C578 PolarHBondContact O-N 3.49Å; F574-C578 PolarHBondContact O-SG 3.14Å; F574-F663 HydrophobicContact CE2-CE2 4.12Å; F574-F663 HydrophobicContact CZ-CE2 4.38Å
575	Q	86.3	Confident	87	Confident	59 Å²	59	58.5 Å²	58.5	28%	0.276	27%	0.27	S	S	.	.	H	α-helix	trans	-62.4	-49.1	177	-72.4	176.4	-9.5	0	0	111.5	L521 I571 W572 F577 C578 N579	L521-Q575 HydrophobicContact CD1-CG 3.6Å; I571-Q575 HydrophobicContact CG2-CG 4.49Å; I571-Q575 WeakPolarHBondContact O-CG 3.19Å; I571-Q575 PolarHBondContact O-N 2.93Å; W572-Q575 PolarHBondContact O-N 3.17Å; Q575-F577 PolarHBondContact O-N 3.18Å; Q575-C578 PolarHBondContact O-N 2.93Å; Q575-N579 VanDerWaalsContact O-CB 3.24Å; Q575-N579 WeakPolarHBondContact O-CB 3.46Å; Q575-N579 PolarHBondContact O-N 2.99Å; Q575-N579 PolarHBondContact O-ND2 3.29Å; Q575-N579 VanDerWaalsContact O-ND2 3.17Å
576	E	87.4	Confident	87.3	Confident	71 Å²	71	54.2 Å²	54.2	33%	0.332	25%	0.252	S	S	.	.	H	α-helix	trans	-67.8	-33.9	179.5	-177.6	51.3	-149.6	0	0	112.4	W572 K573 S580 R583	W572-E576 PolarHBondContact O-N 3.2Å; K573-E576 PolarHBondContact O-N 3.15Å; E576-S580 WeakPolarHBondContact O-CB 3.49Å; E576-S580 PolarHBondContact O-N 2.9Å; E576-S580 PolarHBondContact O-OG 3.14Å; E576-R583 IonicContact OE1-CZ 3.05Å; E576-R583 IonicContact OE1-NH1 2.65Å; E576-R583 PolarHBondContact OE1-NH1 3.34Å; E576-R583 VanDerWaalsContact OE1-NH1 3.15Å; E576-R583 IonicContact OE1-NH2 3.88Å; E576-R583 PolarHBondContact OE1-NH2 3.25Å; E576-R583 IonicContact OE2-NH1 3.59Å
577	F	90.1	Very high	87.5	Confident	6 Å²	6	51.1 Å²	51.1	3%	0.026	24%	0.239	C	C	.	.	H	α-helix	trans	-59.4	-55.6	172.1	-179.9	-97.2	0	0	0	110.9	I505 L506 A509 K573 F574 Q575 N579 S580 M581 R647 A650 L651 M654	I505-F577 HydrophobicContact CG2-CD1 3.77Å; I505-F577 HydrophobicContact CG2-CE1 3.8Å; L506-F577 HydrophobicContact CD2-CZ 4.02Å; A509-F577 HydrophobicContact CB-CD1 4.4Å; A509-F577 HydrophobicContact CB-CE1 3.97Å; K573-F577 WeakPolarHBondContact O-CB 3.08Å; K573-F577 PolarHBondContact O-N 3.27Å; F574-F577 PolarHBondContact O-N 3.18Å; Q575-F577 PolarHBondContact O-N 3.18Å; F577-N579 PolarHBondContact O-N 3.18Å; F577-S580 PolarHBondContact O-N 3.45Å; F577-S580 PolarHBondContact O-OG 3.34Å; F577-M581 HydrophobicContact CD1-CG 4.33Å; F577-M581 HydrophobicContact CE1-CG 3.91Å; F577-M581 HydrophobicContact CE2-CG 4.46Å; F577-M581 HydrophobicContact CE2-SD 4.42Å; F577-M581 HydrophobicContact CZ-CG 3.97Å; F577-M581 HydrophobicContact CZ-SD 4.09Å; F577-M581 WeakPolarHBondContact O-CG 3.42Å; F577-M581 PolarHBondContact O-N 3.36Å; F577-R647 HydrophobicContact CE2-CB 4.18Å; F577-A650 HydrophobicContact CD2-CB 4.28Å; F577-L651 HydrophobicContact CE1-CD1 4.17Å; F577-L651 HydrophobicContact CE2-CB 4.09Å; F577-L651 HydrophobicContact CE2-CD1 4.16Å; F577-L651 HydrophobicContact CZ-CB 4.46Å; F577-L651 HydrophobicContact CZ-CD1 3.82Å; F577-M654 HydrophobicContact CB-CE 3.52Å; F577-M654 HydrophobicContact CD2-CE 4.4Å; F577-M654 HydrophobicContact CG-CE 3.95Å
578	C	90.1	Very high	87.6	Confident	7 Å²	7	53.4 Å²	53.4	5%	0.047	26%	0.255	C	S	.	.	H	α-helix	trans	-59.8	-46.2	179.7	-62.8	0	0	0	0	111.5	L517 F574 Q575 S580 M581 T582	L517-C578 HydrophobicContact CD2-CB 4.48Å; F574-C578 PolarHBondContact O-N 3.49Å; F574-C578 PolarHBondContact O-SG 3.14Å; Q575-C578 PolarHBondContact O-N 2.93Å; C578-S580 VanDerWaalsContact C-N 3.27Å; C578-S580 PolarHBondContact O-N 3.37Å; C578-M581 PolarHBondContact O-N 3.34Å; C578-M581 VanDerWaalsContact O-N 3.16Å; C578-T582 PolarHBondContact O-N 3.24Å; C578-T582 PolarHBondContact O-OG1 2.74Å; C578-T582 VanDerWaalsContact O-OG1 3.14Å
579	N	88.1	Confident	87.9	Confident	85 Å²	85	54.6 Å²	54.6	46%	0.455	26%	0.257	S	S	.	.	H	α-helix	trans	-60.4	-35.6	175.4	-70.1	-24.3	0	0	0	112.2	Q575 F577 R583	Q575-N579 VanDerWaalsContact O-CB 3.24Å; Q575-N579 WeakPolarHBondContact O-CB 3.46Å; Q575-N579 PolarHBondContact O-N 2.99Å; Q575-N579 PolarHBondContact O-ND2 3.29Å; Q575-N579 VanDerWaalsContact O-ND2 3.17Å; F577-N579 PolarHBondContact O-N 3.18Å; N579-R583 WeakPolarHBondContact O-CB 3.43Å; N579-R583 PolarHBondContact O-N 3.38Å
580	S	89.1	Confident	88	Confident	7 Å²	7	50.5 Å²	50.5	5%	0.049	24%	0.238	C	C	.	.	H	α-helix	trans	-72.5	-29.8	177.2	83.6	0	0	0	0	113.4	E576 F577 C578 L584 R647	E576-S580 WeakPolarHBondContact O-CB 3.49Å; E576-S580 PolarHBondContact O-N 2.9Å; E576-S580 PolarHBondContact O-OG 3.14Å; F577-S580 PolarHBondContact O-N 3.45Å; F577-S580 PolarHBondContact O-OG 3.34Å; C578-S580 VanDerWaalsContact C-N 3.27Å; C578-S580 PolarHBondContact O-N 3.37Å; S580-L584 WeakPolarHBondContact O-CB 3.41Å; S580-L584 PolarHBondContact O-N 3.42Å; S580-R647 PolarHBondContact OG-NH1 2.96Å
581	M	89.3	Confident	88.2	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-72.9	-46.7	172.4	-64.6	-61.4	-69.2	0	0	111.1	L506 A509 F577 C578 R583 L584 E585 T586 Y591 L594 R647	L506-M581 HydrophobicContact CD2-CE 4.43Å; A509-M581 HydrophobicContact CB-CG 4.3Å; F577-M581 HydrophobicContact CD1-CG 4.33Å; F577-M581 HydrophobicContact CE1-CG 3.91Å; F577-M581 HydrophobicContact CE2-CG 4.46Å; F577-M581 HydrophobicContact CE2-SD 4.42Å; F577-M581 HydrophobicContact CZ-CG 3.97Å; F577-M581 HydrophobicContact CZ-SD 4.09Å; F577-M581 WeakPolarHBondContact O-CG 3.42Å; F577-M581 PolarHBondContact O-N 3.36Å; C578-M581 PolarHBondContact O-N 3.34Å; C578-M581 VanDerWaalsContact O-N 3.16Å; M581-R583 VanDerWaalsContact C-N 3.3Å; M581-R583 PolarHBondContact O-N 3Å; M581-L584 WeakPolarHBondContact O-CB 3.42Å; M581-L584 PolarHBondContact O-N 2.85Å; M581-E585 PolarHBondContact O-N 2.96Å; M581-T586 HydrophobicContact CE-CG2 3.83Å; M581-Y591 WeakPolarHBondContact CB-OH 3.32Å; M581-Y591 HydrophobicContact CE-CD1 4.14Å; M581-Y591 HydrophobicContact CE-CE1 3.51Å; M581-L594 HydrophobicContact CE-CD1 3.7Å; M581-R647 HydrophobicContact SD-CB 3.95Å; M581-R647 HydrophobicContact SD-CG 3.52Å; M581-R647 VanDerWaalsContact SD-CG 3.52Å
582	T	88.4	Confident	88.4	Confident	96 Å²	96	51 Å²	51	59%	0.589	24%	0.241	S	C	*	.	H	α-helix	trans	-58.3	-43.2	173.7	-54.2	0	0	0	0	111.4	C578 L584 E585	C578-T582 PolarHBondContact O-N 3.24Å; C578-T582 PolarHBondContact O-OG1 2.74Å; C578-T582 VanDerWaalsContact O-OG1 3.14Å; T582-L584 PolarHBondContact O-N 2.94Å; T582-E585 PolarHBondContact O-N 3.19Å
583	R	88.4	Confident	88.5	Confident	149 Å²	149	44.6 Å²	44.6	56%	0.562	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-8.8	176.9	-173.1	173.4	67.1	-128.1	4	114.4	E576 N579 M581	E576-R583 IonicContact OE1-CZ 3.05Å; E576-R583 IonicContact OE1-NH1 2.65Å; E576-R583 PolarHBondContact OE1-NH1 3.34Å; E576-R583 VanDerWaalsContact OE1-NH1 3.15Å; E576-R583 IonicContact OE1-NH2 3.88Å; E576-R583 PolarHBondContact OE1-NH2 3.25Å; E576-R583 IonicContact OE2-NH1 3.59Å; N579-R583 WeakPolarHBondContact O-CB 3.43Å; N579-R583 PolarHBondContact O-N 3.38Å; M581-R583 VanDerWaalsContact C-N 3.3Å; M581-R583 PolarHBondContact O-N 3Å
584	L	87	Confident	88.7	Confident	6 Å²	6	41.4 Å²	41.4	3%	0.031	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-14	170.8	-177.1	54.4	0	0	0	111.8	S580 M581 T582 T586 R640 R643 I644 R647	S580-L584 WeakPolarHBondContact O-CB 3.41Å; S580-L584 PolarHBondContact O-N 3.42Å; M581-L584 WeakPolarHBondContact O-CB 3.42Å; M581-L584 PolarHBondContact O-N 2.85Å; T582-L584 PolarHBondContact O-N 2.94Å; L584-T586 VanDerWaalsContact C-N 3.27Å; L584-T586 PolarHBondContact O-N 3.34Å; L584-R640 PolarHBondContact O-NH1 3.49Å; L584-R643 HydrophobicContact CD1-CB 3.74Å; L584-R643 WeakPolarHBondContact CD2-O 3.42Å; L584-I644 HydrophobicContact CD2-CB 4.46Å; L584-I644 HydrophobicContact CD2-CG1 3.78Å; L584-I644 HydrophobicContact CG-CG1 4.41Å; L584-R647 HydrophobicContact CD2-CG 4.16Å
585	E	87.6	Confident	88.9	Confident	156 Å²	156	41.6 Å²	41.6	73%	0.729	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.5	48.4	-173.1	-60.9	177.5	165.6	0	0	110.5	M581 T582 D587 R640	M581-E585 PolarHBondContact O-N 2.96Å; T582-E585 PolarHBondContact O-N 3.19Å; E585-D587 PolarHBondContact O-N 2.88Å; E585-R640 PolarHBondContact O-NH2 3.03Å
586	T	87.8	Confident	89	Confident	17 Å²	17	38.8 Å²	38.8	10%	0.104	19%	0.19	C	C	.	.			trans	-65.6	125.9	-179.5	-55.9	0	0	0	0	111	M581 L584 E590 Y591 L594	M581-T586 HydrophobicContact CE-CG2 3.83Å; L584-T586 VanDerWaalsContact C-N 3.27Å; L584-T586 PolarHBondContact O-N 3.34Å; T586-E590 WeakPolarHBondContact CA-OE2 3.47Å; T586-E590 HydrophobicContact CG2-CB 3.62Å; T586-Y591 HydrophobicContact CG2-CD2 3.77Å; T586-Y591 HydrophobicContact CG2-CE2 3.87Å; T586-Y591 HydrophobicContact CG2-CG 4.11Å; T586-Y591 WeakPolarHBondContact O-CE2 3.33Å; T586-L594 HydrophobicContact CG2-CD1 4.38Å
587	D	88.8	Confident	89.1	Confident	29 Å²	29	35.8 Å²	35.8	16%	0.155	18%	0.177	C	C	.	.			trans	-85.5	174.5	180	73.8	61.8	0	0	0	112.9	E585 Y589 E590 Y591 Y629 Y634	E585-D587 PolarHBondContact O-N 2.88Å; D587-Y589 PolarHBondContact O-N 3.22Å; D587-Y589 WeakPolarHBondContact OD1-CA 3.39Å; D587-Y589 VanDerWaalsContact OD1-CB 3.31Å; D587-Y589 WeakPolarHBondContact OD1-CB 3.47Å; D587-Y589 PolarHBondContact OD1-N 2.99Å; D587-E590 PolarHBondContact N-OE2 3.47Å; D587-E590 PolarHBondContact O-N 3.18Å; D587-E590 PolarHBondContact OD1-N 3.19Å; D587-E590 VanDerWaalsContact OD2-CG 3.32Å; D587-E590 WeakPolarHBondContact OD2-CG 3.37Å; D587-Y591 WeakPolarHBondContact O-CD2 3.43Å; D587-Y591 PolarHBondContact O-N 3.11Å; D587-Y629 WeakPolarHBondContact OD2-CE1 3.31Å; D587-Y629 PolarHBondContact OD2-OH 3.44Å; D587-Y634 PolarHBondContact OD2-OH 3.3Å
588	S	87.9	Confident	89.1	Confident	56 Å²	56	35.6 Å²	35.6	39%	0.392	18%	0.176	S	C	.	.	H	α-helix	trans	-71.5	-26.7	-175.4	-64.1	0	0	0	0	114.4	A592	S588-A592 WeakPolarHBondContact O-CB 3.42Å; S588-A592 PolarHBondContact O-N 2.73Å
589	Y	88.1	Confident	89	Confident	82 Å²	82	35.3 Å²	35.3	32%	0.322	17%	0.174	S	C	.	.	H	α-helix	trans	-71.9	-45.6	172.8	-66.5	-98	0	0	0	109.5	V444 D587 Y591 A592 Y593 Y629	V444-Y589 HydrophobicContact CB-CE1 4.48Å; V444-Y589 HydrophobicContact CG1-CD1 4.17Å; V444-Y589 HydrophobicContact CG1-CD2 3.88Å; V444-Y589 HydrophobicContact CG1-CE1 4.26Å; V444-Y589 HydrophobicContact CG1-CE2 3.95Å; V444-Y589 HydrophobicContact CG1-CG 3.97Å; V444-Y589 HydrophobicContact CG2-CD1 3.57Å; V444-Y589 HydrophobicContact CG2-CE1 3.57Å; V444-Y589 HydrophobicContact CG2-CG 4.17Å; D587-Y589 PolarHBondContact O-N 3.22Å; D587-Y589 WeakPolarHBondContact OD1-CA 3.39Å; D587-Y589 VanDerWaalsContact OD1-CB 3.31Å; D587-Y589 WeakPolarHBondContact OD1-CB 3.47Å; D587-Y589 PolarHBondContact OD1-N 2.99Å; Y589-Y591 VanDerWaalsContact C-N 3.33Å; Y589-Y591 PolarHBondContact O-N 3.03Å; Y589-A592 PolarHBondContact O-N 3.06Å; Y589-Y593 WeakPolarHBondContact O-CD2 3.38Å; Y589-Y593 PolarHBondContact O-N 2.99Å; Y589-Y629 HydrophobicContact CD1-CD2 4.45Å; Y589-Y629 HydrophobicContact CD1-CE2 4Å; Y589-Y629 AromaticContact CD2-CE2 3.92Å; Y589-Y629 HydrophobicContact CD2-CE2 3.92Å; Y589-Y629 AromaticContact CD2-CZ 3.81Å; Y589-Y629 WeakPolarHBondContact CD2-OH 3.48Å; Y589-Y629 HydrophobicContact CG-CD2 4.37Å; Y589-Y629 AromaticContact CG-CE2 3.65Å; Y589-Y629 HydrophobicContact CG-CE2 3.65Å; Y589-Y629 AromaticContact CG-CZ 3.77Å
590	E	90.5	Very high	88.9	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-60.6	-40.4	175.7	-67.2	173.7	155.6	0	0	112.1	T586 D587 L594 L626 Y629 Y634 R640 I644	T586-E590 WeakPolarHBondContact CA-OE2 3.47Å; T586-E590 HydrophobicContact CG2-CB 3.62Å; D587-E590 PolarHBondContact N-OE2 3.47Å; D587-E590 PolarHBondContact O-N 3.18Å; D587-E590 PolarHBondContact OD1-N 3.19Å; D587-E590 VanDerWaalsContact OD2-CG 3.32Å; D587-E590 WeakPolarHBondContact OD2-CG 3.37Å; E590-L594 VanDerWaalsContact O-CB 3.3Å; E590-L594 WeakPolarHBondContact O-CB 3.4Å; E590-L594 VanDerWaalsContact O-CG 3.28Å; E590-L594 WeakPolarHBondContact O-CG 3.46Å; E590-L594 PolarHBondContact O-N 3.31Å; E590-L626 HydrophobicContact CG-CD1 4.18Å; E590-Y629 HydrophobicContact CG-CD1 4.32Å; E590-Y629 HydrophobicContact CG-CE1 4.11Å; E590-Y634 WeakPolarHBondContact OE1-CE2 3.31Å; E590-R640 VanDerWaalsContact CD-NH2 3.31Å; E590-R640 IonicContact OE1-CZ 3.09Å; E590-R640 IonicContact OE1-NE 2.66Å; E590-R640 PolarHBondContact OE1-NE 3Å; E590-R640 IonicContact OE1-NH2 2.76Å; E590-R640 PolarHBondContact OE1-NH2 2.86Å; E590-R640 IonicContact OE2-CZ 3.87Å; E590-R640 IonicContact OE2-NE 3.67Å; E590-R640 IonicContact OE2-NH2 2.75Å; E590-R640 PolarHBondContact OE2-NH2 3.32Å; E590-I644 HydrophobicContact CB-CD1 4.48Å; E590-I644 VanDerWaalsContact CD-CD1 3.47Å; E590-I644 HydrophobicContact CG-CD1 3.99Å; E590-I644 WeakPolarHBondContact OE1-CD1 3.44Å
591	Y	90.9	Very high	88.5	Confident	14 Å²	14	32 Å²	32	6%	0.055	16%	0.158	C	C	.	.	H	α-helix	trans	-61.3	-42.5	170.1	-89.1	-68.4	0	0	0	112.5	L506 A509 Q510 M581 T586 D587 Y589 L594 K595	L506-Y591 HydrophobicContact CD2-CD1 4.45Å; A509-Y591 HydrophobicContact CB-CE1 4.11Å; Q510-Y591 HydrophobicContact CB-CD1 3.95Å; Q510-Y591 HydrophobicContact CB-CD2 4.13Å; Q510-Y591 HydrophobicContact CB-CE1 3.9Å; Q510-Y591 HydrophobicContact CB-CE2 4.09Å; Q510-Y591 HydrophobicContact CB-CG 4.07Å; Q510-Y591 HydrophobicContact CG-CD1 4.38Å; Q510-Y591 HydrophobicContact CG-CD2 3.79Å; Q510-Y591 HydrophobicContact CG-CE2 4.05Å; Q510-Y591 HydrophobicContact CG-CG 3.98Å; M581-Y591 WeakPolarHBondContact CB-OH 3.32Å; M581-Y591 HydrophobicContact CE-CD1 4.14Å; M581-Y591 HydrophobicContact CE-CE1 3.51Å; T586-Y591 HydrophobicContact CG2-CD2 3.77Å; T586-Y591 HydrophobicContact CG2-CE2 3.87Å; T586-Y591 HydrophobicContact CG2-CG 4.11Å; T586-Y591 WeakPolarHBondContact O-CE2 3.33Å; D587-Y591 WeakPolarHBondContact O-CD2 3.43Å; D587-Y591 PolarHBondContact O-N 3.11Å; Y589-Y591 VanDerWaalsContact C-N 3.33Å; Y589-Y591 PolarHBondContact O-N 3.03Å; Y591-L594 PolarHBondContact O-N 3.43Å; Y591-K595 VanDerWaalsContact O-CG 3.28Å; Y591-K595 WeakPolarHBondContact O-CG 3.39Å; Y591-K595 PolarHBondContact O-N 3.01Å
592	A	89.5	Confident	87.5	Confident	4 Å²	4	35 Å²	35	3%	0.033	18%	0.177	C	C	.	.	H	α-helix	trans	-66.9	-43.4	179.4	0	0	0	0	0	112	L439 W477 S588 Y589 K595 A596	L439-A592 HydrophobicContact CD1-CB 3.87Å; W477-A592 HydrophobicContact CZ2-CB 4.3Å; S588-A592 WeakPolarHBondContact O-CB 3.42Å; S588-A592 PolarHBondContact O-N 2.73Å; Y589-A592 PolarHBondContact O-N 3.06Å; A592-K595 PolarHBondContact O-N 3.07Å; A592-A596 PolarHBondContact O-N 3.25Å
593	Y	90.2	Very high	86.1	Confident	25 Å²	25	32.4 Å²	32.4	10%	0.098	17%	0.169	C	C	.	.	H	α-helix	trans	-66.7	-39.1	173.8	-72	-61.3	0	0	0	112.7	L439 Y589 K595 A596 I597 E625 L626 Y629	L439-Y593 HydrophobicContact CD1-CD1 3.79Å; L439-Y593 HydrophobicContact CD1-CE1 4Å; L439-Y593 HydrophobicContact CD1-CG 4.32Å; L439-Y593 HydrophobicContact CG-CE1 4.45Å; Y589-Y593 WeakPolarHBondContact O-CD2 3.38Å; Y589-Y593 PolarHBondContact O-N 2.99Å; Y593-K595 VanDerWaalsContact C-N 3.35Å; Y593-K595 PolarHBondContact O-N 3.3Å; Y593-A596 PolarHBondContact O-N 3.05Å; Y593-I597 VanDerWaalsContact O-CG1 3.29Å; Y593-I597 WeakPolarHBondContact O-CG1 3.23Å; Y593-I597 PolarHBondContact O-N 3.16Å; Y593-E625 HydrophobicContact CD1-CB 4.32Å; Y593-E625 HydrophobicContact CE1-CB 3.5Å; Y593-E625 VanDerWaalsContact CE1-CB 3.5Å; Y593-L626 HydrophobicContact CD1-CB 4.43Å; Y593-L626 HydrophobicContact CD2-CB 4.22Å; Y593-L626 HydrophobicContact CD2-CD1 3.99Å; Y593-L626 HydrophobicContact CG-CB 3.95Å; Y593-L626 HydrophobicContact CG-CD1 4.26Å; Y593-Y629 HydrophobicContact CE2-CG 4.33Å
594	L	90.3	Very high	84.1	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-58.8	-46.4	172.5	-82.7	170.6	0	0	0	111.3	L506 M581 T586 E590 Y591 A596 I597 V598 I644 L648	L506-L594 HydrophobicContact CD1-CB 4.23Å; L506-L594 HydrophobicContact CD2-CB 4.3Å; L506-L594 HydrophobicContact CD2-CD1 4.29Å; M581-L594 HydrophobicContact CE-CD1 3.7Å; T586-L594 HydrophobicContact CG2-CD1 4.38Å; E590-L594 VanDerWaalsContact O-CB 3.3Å; E590-L594 WeakPolarHBondContact O-CB 3.4Å; E590-L594 VanDerWaalsContact O-CG 3.28Å; E590-L594 WeakPolarHBondContact O-CG 3.46Å; E590-L594 PolarHBondContact O-N 3.31Å; Y591-L594 PolarHBondContact O-N 3.43Å; L594-A596 VanDerWaalsContact C-N 3.31Å; L594-A596 PolarHBondContact O-N 3.18Å; L594-I597 PolarHBondContact O-N 3.35Å; L594-V598 WeakPolarHBondContact O-CB 3.18Å; L594-V598 WeakPolarHBondContact O-CG2 3.48Å; L594-V598 PolarHBondContact O-N 2.95Å; L594-I644 HydrophobicContact CD1-CG2 4.04Å; L594-I644 HydrophobicContact CD2-CG2 3.77Å; L594-I644 HydrophobicContact CG-CG2 3.93Å; L594-L648 HydrophobicContact CD2-CD1 4.32Å; L594-L648 HydrophobicContact CD2-CD2 3.75Å; L594-L648 HydrophobicContact CD2-CG 3.98Å
595	K	90.8	Very high	82	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-37.9	174.8	-70.8	172.4	-170.8	173.8	0	111.7	F446 W477 L503 L506 Y591 A592 Y593 V598 L599	F446-K595 VanDerWaalsContact CD1-NZ 3.34Å; F446-K595 VanDerWaalsContact CE2-NZ 3.29Å; W477-K595 HydrophobicContact CD2-CD 4.46Å; W477-K595 HydrophobicContact CE3-CB 4.31Å; W477-K595 HydrophobicContact CE3-CD 4.44Å; W477-K595 HydrophobicContact CH2-CB 3.3Å; W477-K595 HydrophobicContact CH2-CD 4.42Å; W477-K595 HydrophobicContact CH2-CG 4.49Å; W477-K595 HydrophobicContact CZ2-CB 3.92Å; W477-K595 HydrophobicContact CZ2-CD 4.38Å; W477-K595 HydrophobicContact CZ3-CB 3.52Å; W477-K595 HydrophobicContact CZ3-CD 4.44Å; L503-K595 HydrophobicContact CD2-CB 3.8Å; L503-K595 HydrophobicContact CD2-CG 4.11Å; L503-K595 WeakPolarHBondContact CD2-O 3.46Å; L506-K595 HydrophobicContact CB-CG 3.93Å; L506-K595 HydrophobicContact CD1-CG 3.92Å; Y591-K595 VanDerWaalsContact O-CG 3.28Å; Y591-K595 WeakPolarHBondContact O-CG 3.39Å; Y591-K595 PolarHBondContact O-N 3.01Å; A592-K595 PolarHBondContact O-N 3.07Å; Y593-K595 VanDerWaalsContact C-N 3.35Å; Y593-K595 PolarHBondContact O-N 3.3Å; K595-V598 PolarHBondContact O-N 3.38Å; K595-L599 VanDerWaalsContact O-CB 3.26Å; K595-L599 WeakPolarHBondContact O-CB 3.4Å; K595-L599 PolarHBondContact O-N 3.16Å
596	A	88.9	Confident	80.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-68.7	-42.8	176.7	0	0	0	0	0	112.7	L439 W477 A592 Y593 L594 V598 L599 F600 A622	L439-A596 HydrophobicContact CD1-CB 4.19Å; W477-A596 HydrophobicContact CH2-CB 4.34Å; A592-A596 PolarHBondContact O-N 3.25Å; Y593-A596 PolarHBondContact O-N 3.05Å; L594-A596 VanDerWaalsContact C-N 3.31Å; L594-A596 PolarHBondContact O-N 3.18Å; A596-V598 VanDerWaalsContact C-N 3.27Å; A596-V598 PolarHBondContact O-N 3.48Å; A596-L599 PolarHBondContact O-N 3.38Å; A596-F600 HydrophobicContact CB-CD2 4.48Å; A596-F600 VanDerWaalsContact O-CD2 3.24Å; A596-F600 WeakPolarHBondContact O-CD2 3.41Å; A596-F600 PolarHBondContact O-N 3.32Å; A596-A622 HydrophobicContact CB-CB 4.16Å
597	I	89.1	Confident	78	Confident	9 Å²	9	38.2 Å²	38.2	5%	0.046	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-36.9	175	-68.3	164.2	0	0	0	110.7	Y593 L594 S601 Q619 A622 L623 L626 L645 L648	Y593-I597 VanDerWaalsContact O-CG1 3.29Å; Y593-I597 WeakPolarHBondContact O-CG1 3.23Å; Y593-I597 PolarHBondContact O-N 3.16Å; L594-I597 PolarHBondContact O-N 3.35Å; I597-S601 PolarHBondContact O-OG 3Å; I597-Q619 HydrophobicContact CG2-CG 4.28Å; I597-Q619 PolarHBondContact O-NE2 3.14Å; I597-A622 HydrophobicContact CG1-CB 3.78Å; I597-L623 HydrophobicContact CD1-CD1 4.27Å; I597-L626 HydrophobicContact CD1-CD2 3.69Å; I597-L645 HydrophobicContact CD1-CD2 4.17Å; I597-L648 HydrophobicContact CG2-CD1 3.8Å
598	V	89.8	Confident	76	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-65.8	-53.9	172.1	163.5	0	0	0	0	111.2	C499 E502 L503 L506 L594 K595 A596 F600 S601 L648 L651	C499-V598 HydrophobicContact CB-CG1 3.72Å; E502-V598 HydrophobicContact CB-CG1 3.48Å; E502-V598 VanDerWaalsContact CB-CG1 3.48Å; E502-V598 HydrophobicContact CB-CG2 4.4Å; E502-V598 HydrophobicContact CG-CG1 4.47Å; L503-V598 HydrophobicContact CD2-CB 4.33Å; L503-V598 HydrophobicContact CD2-CG1 3.87Å; L503-V598 HydrophobicContact CG-CG1 4.03Å; L506-V598 HydrophobicContact CD1-CB 4.43Å; L506-V598 HydrophobicContact CD1-CG2 3.87Å; L594-V598 WeakPolarHBondContact O-CB 3.18Å; L594-V598 WeakPolarHBondContact O-CG2 3.48Å; L594-V598 PolarHBondContact O-N 2.95Å; K595-V598 PolarHBondContact O-N 3.38Å; A596-V598 VanDerWaalsContact C-N 3.27Å; A596-V598 PolarHBondContact O-N 3.48Å; V598-F600 VanDerWaalsContact C-N 3.34Å; V598-F600 PolarHBondContact O-N 2.91Å; V598-S601 VanDerWaalsContact O-CB 3.26Å; V598-S601 WeakPolarHBondContact O-CB 3.43Å; V598-S601 PolarHBondContact O-N 3.03Å; V598-S601 VanDerWaalsContact O-N 3.08Å; V598-S601 PolarHBondContact O-OG 3.16Å; V598-L648 HydrophobicContact CG2-CD2 3.63Å; V598-L651 HydrophobicContact CG2-CD2 3.93Å
599	L	88.3	Confident	74.2	Confident	1 Å²	1	39.1 Å²	39.1	1%	0.005	25%	0.247	C	C	.	.	H	α-helix	trans	-57.2	-42.1	-177.3	178.9	64.3	0	0	0	113	W477 A478 I481 F484 V496 L503 K595 A596 S601	W477-L599 HydrophobicContact CZ3-CD2 4.28Å; A478-L599 HydrophobicContact CB-CD1 4Å; A478-L599 HydrophobicContact CB-CD2 3.92Å; I481-L599 HydrophobicContact CD1-CD2 3.86Å; F484-L599 HydrophobicContact CB-CD2 4.49Å; F484-L599 HydrophobicContact CD2-CD1 4.02Å; F484-L599 HydrophobicContact CD2-CD2 3.99Å; F484-L599 HydrophobicContact CD2-CG 4.15Å; F484-L599 HydrophobicContact CE2-CD1 3.81Å; F484-L599 HydrophobicContact CE2-CG 4.44Å; F484-L599 HydrophobicContact CG-CD2 4.38Å; V496-L599 HydrophobicContact CG2-CD1 3.96Å; L503-L599 HydrophobicContact CD1-CD1 4.18Å; K595-L599 VanDerWaalsContact O-CB 3.26Å; K595-L599 WeakPolarHBondContact O-CB 3.4Å; K595-L599 PolarHBondContact O-N 3.16Å; A596-L599 PolarHBondContact O-N 3.38Å; L599-S601 VanDerWaalsContact C-N 3.27Å; L599-S601 PolarHBondContact O-N 3.01Å
600	F	85.6	Confident	72.5	Confident	0 Å²	0	43 Å²	43	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.5	32.1	177.9	-60	-61.8	0	0	0	112.9	L438 I481 A483 F484 L487 A596 V598 P602 V615 F618 Q619	L438-F600 HydrophobicContact CD1-CE2 4.36Å; L438-F600 HydrophobicContact CD2-CD2 4.31Å; L438-F600 HydrophobicContact CD2-CE2 4.07Å; L438-F600 HydrophobicContact CG-CE2 4.48Å; I481-F600 HydrophobicContact CG2-CE2 4.44Å; I481-F600 HydrophobicContact CG2-CZ 4.13Å; A483-F600 HydrophobicContact CB-CZ 4.19Å; F484-F600 HydrophobicContact CB-CE1 4.2Å; F484-F600 HydrophobicContact CB-CZ 4.08Å; F484-F600 HydrophobicContact CD2-CE1 4.45Å; L487-F600 HydrophobicContact CD1-CD1 4.25Å; L487-F600 HydrophobicContact CD1-CE1 3.94Å; A596-F600 HydrophobicContact CB-CD2 4.48Å; A596-F600 VanDerWaalsContact O-CD2 3.24Å; A596-F600 WeakPolarHBondContact O-CD2 3.41Å; A596-F600 PolarHBondContact O-N 3.32Å; V598-F600 VanDerWaalsContact C-N 3.34Å; V598-F600 PolarHBondContact O-N 2.91Å; F600-P602 WeakPolarHBondContact O-CD 3.48Å; F600-V615 HydrophobicContact CB-CG1 4.21Å; F600-V615 VanDerWaalsContact O-CG1 3.29Å; F600-V615 WeakPolarHBondContact O-CG1 3.2Å; F600-F618 HydrophobicContact CB-CB 4.27Å; F600-F618 HydrophobicContact CD1-CB 3.91Å; F600-F618 HydrophobicContact CD1-CD2 4.12Å; F600-F618 HydrophobicContact CD2-CB 3.97Å; F600-F618 HydrophobicContact CE1-CB 4.23Å; F600-F618 AromaticContact CE1-CD2 3.89Å; F600-F618 HydrophobicContact CE1-CD2 3.89Å; F600-F618 HydrophobicContact CE2-CB 4.29Å; F600-F618 HydrophobicContact CG-CB 3.78Å; F600-F618 HydrophobicContact CZ-CB 4.42Å; F600-F618 HydrophobicContact CZ-CD2 4.41Å; F600-Q619 HydrophobicContact CB-CB 4.14Å; F600-Q619 HydrophobicContact CB-CG 4.48Å; F600-Q619 WeakPolarHBondContact O-CB 3.25Å; F600-Q619 WeakPolarHBondContact O-CG 3.41Å
601	S	82.1	Confident	71	Confident	24 Å²	24	44.2 Å²	44.2	17%	0.168	28%	0.276	C	S	.	.			trans	-74.1	123.7	174.1	-68.3	0	0	0	0	112	I597 V598 L599 G603 Q619	I597-S601 PolarHBondContact O-OG 3Å; V598-S601 VanDerWaalsContact O-CB 3.26Å; V598-S601 WeakPolarHBondContact O-CB 3.43Å; V598-S601 PolarHBondContact O-N 3.03Å; V598-S601 VanDerWaalsContact O-N 3.08Å; V598-S601 PolarHBondContact O-OG 3.16Å; L599-S601 VanDerWaalsContact C-N 3.27Å; L599-S601 PolarHBondContact O-N 3.01Å; S601-G603 PolarHBondContact O-N 3.17Å; S601-Q619 PolarHBondContact OG-NE2 2.64Å
602	P	66.6	Low	69.9	Low	61 Å²	61	46.8 Å²	46.8	40%	0.396	30%	0.296	S	S	.	.			trans	-73.3	87.5	172.6	29.8	-33.6	0	0	0	110.5	F600 Q619	F600-P602 WeakPolarHBondContact O-CD 3.48Å; P602-Q619 VanDerWaalsContact CD-OE1 3.28Å
603	G	59.3	Low	69	Low	42 Å²	42	48.4 Å²	48.4	43%	0.433	31%	0.313	S	S	.	.			trans	-62.4	140.1	176.8	0	0	0	0	0	112.9	S601 D605	S601-G603 PolarHBondContact O-N 3.17Å; G603-D605 VanDerWaalsContact C-N 3.27Å; G603-D605 PolarHBondContact O-N 3.21Å
604	S	46.5	Very low	68.3	Low	112 Å²	112	47.8 Å²	47.8	78%	0.783	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-13.8	-172.7	35.7	0	0	0	0	115.6
605	D	43.5	Very low	67.9	Low	123 Å²	123	48 Å²	48	66%	0.658	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.3	29.8	-157.7	-62.1	-83.4	0	0	0	113.5	G603 P607	G603-D605 VanDerWaalsContact C-N 3.27Å; G603-D605 PolarHBondContact O-N 3.21Å; D605-P607 VanDerWaalsContact C-CD 3.48Å; D605-P607 VanDerWaalsContact O-CD 3.29Å; D605-P607 WeakPolarHBondContact O-CD 3.28Å
606	H	49.6	Very low	67.5	Low	75 Å²	75	52.9 Å²	52.9	35%	0.347	34%	0.336	S	S	.	.			trans	-119.1	77.7	-179.7	-64.4	-15.2	0	0	0	112.5	S494 G608 V609	S494-H606 PolarHBondContact OG-CD2 3.04Å; S494-H606 PolarHBondContact OG-NE2 2.7Å; S494-H606 VanDerWaalsContact OG-NE2 3.15Å; H606-G608 PolarHBondContact O-N 3.05Å; H606-V609 HydrophobicContact CB-CG2 4.16Å
607	P	41.4	Very low	67.2	Low	140 Å²	140	57.5 Å²	57.5	91%	0.909	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	67.7	176.4	33.4	-36.9	0	0	0	111.8	D605	D605-P607 VanDerWaalsContact C-CD 3.48Å; D605-P607 VanDerWaalsContact O-CD 3.29Å; D605-P607 WeakPolarHBondContact O-CD 3.28Å
608	G	47.4	Very low	66.9	Low	64 Å²	64	57.5 Å²	57.5	66%	0.66	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-174.6	-22.1	179.4	0	0	0	0	0	115.7	H606 E610	H606-G608 PolarHBondContact O-N 3.05Å; G608-E610 PolarHBondContact O-N 3.39Å
609	V	49.9	Very low	66.8	Low	41 Å²	41	59.2 Å²	59.2	25%	0.248	36%	0.363	C	S	.	.			trans	-80.4	93.5	-176.5	-174.9	0	0	0	0	111.1	A491 H606 S611 S612	A491-V609 HydrophobicContact CB-CG1 4.24Å; H606-V609 HydrophobicContact CB-CG2 4.16Å; V609-S611 PolarHBondContact O-N 2.83Å; V609-S611 VanDerWaalsContact O-N 3.14Å; V609-S612 WeakPolarHBondContact O-CB 3.16Å; V609-S612 PolarHBondContact O-N 3.46Å; V609-S612 VanDerWaalsContact O-N 3.15Å
610	E	52.5	Low	66.7	Low	164 Å²	164	64.3 Å²	64.3	77%	0.766	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-24.3	173.9	-57.9	-164.8	150.8	0	0	112.6	T429 G608 S612	T429-E610 HydrophobicContact CG2-CB 3.69Å; G608-E610 PolarHBondContact O-N 3.39Å; E610-S612 VanDerWaalsContact C-N 3.29Å; E610-S612 PolarHBondContact O-N 3.4Å
611	S	58.3	Low	66.6	Low	25 Å²	25	66.3 Å²	66.3	18%	0.175	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	10.7	177.6	-44.9	0	0	0	0	115	V609 G613 Q614 V615	V609-S611 PolarHBondContact O-N 2.83Å; V609-S611 VanDerWaalsContact O-N 3.14Å; S611-G613 VanDerWaalsContact C-N 3.32Å; S611-G613 PolarHBondContact O-N 3.46Å; S611-Q614 WeakPolarHBondContact O-CA 3.48Å; S611-Q614 VanDerWaalsContact O-CB 3.3Å; S611-Q614 WeakPolarHBondContact O-CB 3.44Å; S611-Q614 PolarHBondContact O-N 2.85Å; S611-V615 PolarHBondContact O-N 3.44Å; S611-V615 VanDerWaalsContact O-N 3.16Å
612	S	67.9	Low	66.9	Low	67 Å²	67	65.1 Å²	65.1	47%	0.469	39%	0.388	S	S	.	.	H	α-helix	trans	-51.4	-45.7	-178	177.2	0	0	0	0	113.1	V609 E610 Q614 V615 E616	V609-S612 WeakPolarHBondContact O-CB 3.16Å; V609-S612 PolarHBondContact O-N 3.46Å; V609-S612 VanDerWaalsContact O-N 3.15Å; E610-S612 VanDerWaalsContact C-N 3.29Å; E610-S612 PolarHBondContact O-N 3.4Å; S612-Q614 PolarHBondContact O-N 3.14Å; S612-V615 PolarHBondContact O-N 3.39Å; S612-E616 PolarHBondContact O-N 3.12Å; S612-E616 VanDerWaalsContact O-N 3.13Å
613	G	71.3	Confident	67.9	Low	38 Å²	38	65.4 Å²	65.4	39%	0.392	39%	0.385	S	S	.	.	H	α-helix	trans	-75.5	7.2	174.9	0	0	0	0	0	115.8	S611 K617	S611-G613 VanDerWaalsContact C-N 3.32Å; S611-G613 PolarHBondContact O-N 3.46Å; G613-K617 WeakPolarHBondContact O-CD 3.36Å; G613-K617 WeakPolarHBondContact O-CG 3.49Å
614	Q	75.3	Confident	69.3	Low	13 Å²	13	69.2 Å²	69.2	6%	0.061	39%	0.393	C	S	.	.	H	α-helix	trans	-102.4	-40.1	167.6	-55.1	-174.7	-14.2	0	0	110.4	P430 L487 S611 S612 E616 K617 F618	P430-Q614 PolarHBondContact O-NE2 2.95Å; L487-Q614 HydrophobicContact CD2-CB 4.08Å; S611-Q614 WeakPolarHBondContact O-CA 3.48Å; S611-Q614 VanDerWaalsContact O-CB 3.3Å; S611-Q614 WeakPolarHBondContact O-CB 3.44Å; S611-Q614 PolarHBondContact O-N 2.85Å; S612-Q614 PolarHBondContact O-N 3.14Å; Q614-E616 VanDerWaalsContact C-N 3.32Å; Q614-E616 PolarHBondContact O-N 3.08Å; Q614-K617 WeakPolarHBondContact O-CB 3.26Å; Q614-K617 PolarHBondContact O-N 3.25Å; Q614-F618 WeakPolarHBondContact O-CG 3.26Å; Q614-F618 PolarHBondContact O-N 3.41Å
615	V	81.8	Confident	71.3	Confident	4 Å²	4	65.5 Å²	65.5	2%	0.024	36%	0.364	C	S	.	.	H	α-helix	trans	-56.2	-47.4	170.5	177.6	0	0	0	0	110.4	L487 L495 F600 S611 S612 K617 F618 Q619	L487-V615 HydrophobicContact CD1-CG2 4.02Å; L487-V615 HydrophobicContact CD2-CG2 4.22Å; L495-V615 HydrophobicContact CD1-CG2 4.07Å; L495-V615 HydrophobicContact CD2-CG1 3.96Å; L495-V615 HydrophobicContact CD2-CG2 4.32Å; F600-V615 HydrophobicContact CB-CG1 4.21Å; F600-V615 VanDerWaalsContact O-CG1 3.29Å; F600-V615 WeakPolarHBondContact O-CG1 3.2Å; S611-V615 PolarHBondContact O-N 3.44Å; S611-V615 VanDerWaalsContact O-N 3.16Å; S612-V615 PolarHBondContact O-N 3.39Å; V615-K617 VanDerWaalsContact C-N 3.35Å; V615-K617 PolarHBondContact O-N 3.3Å; V615-F618 PolarHBondContact O-N 3.24Å; V615-F618 VanDerWaalsContact O-N 3.16Å; V615-Q619 PolarHBondContact O-N 3.18Å
616	E	82.8	Confident	73.4	Confident	107 Å²	107	59.7 Å²	59.7	50%	0.5	33%	0.332	S	S	.	.	H	α-helix	trans	-56.1	-45	175.2	-172.1	173.3	-144.2	0	0	112.2	S612 Q614 F618 Q619 E620	S612-E616 PolarHBondContact O-N 3.12Å; S612-E616 VanDerWaalsContact O-N 3.13Å; Q614-E616 VanDerWaalsContact C-N 3.32Å; Q614-E616 PolarHBondContact O-N 3.08Å; E616-F618 PolarHBondContact O-N 3.13Å; E616-Q619 WeakPolarHBondContact O-CB 3.44Å; E616-Q619 PolarHBondContact O-N 2.71Å; E616-E620 WeakPolarHBondContact O-CG 3.49Å; E616-E620 PolarHBondContact O-N 3.44Å
617	K	81.8	Confident	75.3	Confident	97 Å²	97	60.7 Å²	60.7	42%	0.422	34%	0.337	S	S	.	.	H	α-helix	trans	-64.1	-37.9	176.4	-70.5	176.9	179.1	-174.5	0	113.3	G613 Q614 V615 Q619 E620 K621	G613-K617 WeakPolarHBondContact O-CD 3.36Å; G613-K617 WeakPolarHBondContact O-CG 3.49Å; Q614-K617 WeakPolarHBondContact O-CB 3.26Å; Q614-K617 PolarHBondContact O-N 3.25Å; V615-K617 VanDerWaalsContact C-N 3.35Å; V615-K617 PolarHBondContact O-N 3.3Å; K617-Q619 VanDerWaalsContact C-N 3.32Å; K617-E620 PolarHBondContact O-N 3.13Å; K617-K621 WeakPolarHBondContact O-CB 3.5Å; K617-K621 PolarHBondContact O-N 2.84Å
618	F	84.1	Confident	77.5	Confident	8 Å²	8	58.8 Å²	58.8	4%	0.035	32%	0.32	C	S	.	.	H	α-helix	trans	-70	-32.2	175.8	-62.4	-23	0	0	0	111.3	I432 V434 L438 A483 L487 F600 Q614 V615 E616 A622	I432-F618 HydrophobicContact CB-CZ 4.18Å; I432-F618 HydrophobicContact CG2-CZ 3.98Å; V434-F618 HydrophobicContact CG2-CE1 3.65Å; V434-F618 HydrophobicContact CG2-CZ 3.96Å; L438-F618 WeakPolarHBondContact CD2-O 3.25Å; A483-F618 HydrophobicContact CB-CD1 4.44Å; A483-F618 HydrophobicContact CB-CD2 4.04Å; A483-F618 HydrophobicContact CB-CE1 4.37Å; A483-F618 HydrophobicContact CB-CE2 3.95Å; A483-F618 HydrophobicContact CB-CG 4.3Å; A483-F618 HydrophobicContact CB-CZ 4.12Å; A483-F618 VanDerWaalsContact O-CE2 3.3Å; A483-F618 WeakPolarHBondContact O-CE2 3.43Å; L487-F618 HydrophobicContact CD1-CD2 4.18Å; L487-F618 HydrophobicContact CD1-CE2 4.22Å; L487-F618 HydrophobicContact CD2-CD2 4.36Å; L487-F618 HydrophobicContact CD2-CE2 3.85Å; L487-F618 HydrophobicContact CG-CD2 4.39Å; L487-F618 HydrophobicContact CG-CE2 3.93Å; F600-F618 HydrophobicContact CB-CB 4.27Å; F600-F618 HydrophobicContact CD1-CB 3.91Å; F600-F618 HydrophobicContact CD1-CD2 4.12Å; F600-F618 HydrophobicContact CD2-CB 3.97Å; F600-F618 HydrophobicContact CE1-CB 4.23Å; F600-F618 AromaticContact CE1-CD2 3.89Å; F600-F618 HydrophobicContact CE1-CD2 3.89Å; F600-F618 HydrophobicContact CE2-CB 4.29Å; F600-F618 HydrophobicContact CG-CB 3.78Å; F600-F618 HydrophobicContact CZ-CB 4.42Å; F600-F618 HydrophobicContact CZ-CD2 4.41Å; Q614-F618 WeakPolarHBondContact O-CG 3.26Å; Q614-F618 PolarHBondContact O-N 3.41Å; V615-F618 PolarHBondContact O-N 3.24Å; V615-F618 VanDerWaalsContact O-N 3.16Å; E616-F618 PolarHBondContact O-N 3.13Å; F618-A622 WeakPolarHBondContact O-CB 3.2Å; F618-A622 PolarHBondContact O-N 3.16Å
619	Q	87.9	Confident	79.5	Confident	38 Å²	38	57.7 Å²	57.7	18%	0.178	30%	0.296	C	S	.	.	H	α-helix	trans	-67.8	-45.8	171	-151.2	-176.9	37.8	0	0	112.4	I597 F600 S601 P602 V615 E616 K617 K621 A622 L623	I597-Q619 HydrophobicContact CG2-CG 4.28Å; I597-Q619 PolarHBondContact O-NE2 3.14Å; F600-Q619 HydrophobicContact CB-CB 4.14Å; F600-Q619 HydrophobicContact CB-CG 4.48Å; F600-Q619 WeakPolarHBondContact O-CB 3.25Å; F600-Q619 WeakPolarHBondContact O-CG 3.41Å; S601-Q619 PolarHBondContact OG-NE2 2.64Å; P602-Q619 VanDerWaalsContact CD-OE1 3.28Å; V615-Q619 PolarHBondContact O-N 3.18Å; E616-Q619 WeakPolarHBondContact O-CB 3.44Å; E616-Q619 PolarHBondContact O-N 2.71Å; K617-Q619 VanDerWaalsContact C-N 3.32Å; Q619-K621 VanDerWaalsContact C-N 3.31Å; Q619-K621 PolarHBondContact O-N 3.23Å; Q619-A622 PolarHBondContact O-N 2.7Å; Q619-L623 WeakPolarHBondContact O-CB 3.41Å; Q619-L623 PolarHBondContact O-N 3.24Å
620	E	85.1	Confident	81.4	Confident	107 Å²	107	56 Å²	56	50%	0.5	29%	0.286	S	S	.	.	H	α-helix	trans	-57	-45.7	173.5	-74.1	-172.3	142.9	0	0	110.9	E616 K617 L623 M624	E616-E620 WeakPolarHBondContact O-CG 3.49Å; E616-E620 PolarHBondContact O-N 3.44Å; K617-E620 PolarHBondContact O-N 3.13Å; E620-L623 PolarHBondContact O-N 3.22Å; E620-M624 WeakPolarHBondContact O-CG 3.35Å; E620-M624 PolarHBondContact O-N 3.21Å
621	K	84.6	Confident	83.1	Confident	42 Å²	42	54.4 Å²	54.4	18%	0.183	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-45.8	177.7	-174	174.2	174.7	-177	0	112.3	V434 G436 L438 K617 Q619 L623 M624 E625	V434-K621 PolarHBondContact O-NZ 3.22Å; G436-K621 PolarHBondContact O-NZ 3.27Å; L438-K621 HydrophobicContact CB-CD 4.32Å; L438-K621 HydrophobicContact CB-CG 4.4Å; K617-K621 WeakPolarHBondContact O-CB 3.5Å; K617-K621 PolarHBondContact O-N 2.84Å; Q619-K621 VanDerWaalsContact C-N 3.31Å; Q619-K621 PolarHBondContact O-N 3.23Å; K621-L623 VanDerWaalsContact C-N 3.26Å; K621-L623 PolarHBondContact O-N 2.86Å; K621-M624 PolarHBondContact O-N 3.14Å; K621-E625 WeakPolarHBondContact CE-OE1 3.48Å; K621-E625 IonicContact NZ-OE1 3.39Å; K621-E625 WeakPolarHBondContact O-CG 3.42Å; K621-E625 PolarHBondContact O-N 3.5Å
622	A	87.8	Confident	84.6	Confident	0 Å²	0	61 Å²	61	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58.3	-39.2	175.2	0	0	0	0	0	112.2	L438 A596 I597 F618 Q619 L626	L438-A622 HydrophobicContact CD2-CB 3.58Å; A596-A622 HydrophobicContact CB-CB 4.16Å; I597-A622 HydrophobicContact CG1-CB 3.78Å; F618-A622 WeakPolarHBondContact O-CB 3.2Å; F618-A622 PolarHBondContact O-N 3.16Å; Q619-A622 PolarHBondContact O-N 2.7Å; A622-L626 WeakPolarHBondContact O-CB 3.38Å; A622-L626 PolarHBondContact O-N 3.35Å
623	L	88.3	Confident	85.6	Confident	67 Å²	67	60.8 Å²	60.8	35%	0.351	30%	0.3	S	S	.	.	H	α-helix	trans	-70.4	-38.7	177.8	-177.8	62.3	0	0	0	112.5	I597 Q619 E620 K621 Q627 L645	I597-L623 HydrophobicContact CD1-CD1 4.27Å; Q619-L623 WeakPolarHBondContact O-CB 3.41Å; Q619-L623 PolarHBondContact O-N 3.24Å; E620-L623 PolarHBondContact O-N 3.22Å; K621-L623 VanDerWaalsContact C-N 3.26Å; K621-L623 PolarHBondContact O-N 2.86Å; L623-Q627 WeakPolarHBondContact O-CB 3.3Å; L623-Q627 PolarHBondContact O-N 2.8Å; L623-L645 HydrophobicContact CD1-CD1 3.75Å; L623-L645 HydrophobicContact CD1-CD2 3.77Å; L623-L645 HydrophobicContact CD1-CG 4.4Å
624	M	87.9	Confident	86.4	Confident	121 Å²	121	62.4 Å²	62.4	60%	0.596	29%	0.294	S	S	*	.	H	α-helix	trans	-68	-43	175.5	-70.5	-179.1	-164.9	0	0	112.2	E620 K621 Q627 D628	E620-M624 WeakPolarHBondContact O-CG 3.35Å; E620-M624 PolarHBondContact O-N 3.21Å; K621-M624 PolarHBondContact O-N 3.14Å; M624-Q627 PolarHBondContact O-N 3.27Å; M624-D628 PolarHBondContact O-N 3.18Å
625	E	88.1	Confident	86.8	Confident	35 Å²	35	65.7 Å²	65.7	16%	0.164	32%	0.317	C	S	.	.	H	α-helix	trans	-65.8	-39.4	177	-71.3	177.9	-170.8	0	0	111.6	P437 L438 Y593 K621 D628 Y629	P437-E625 WeakPolarHBondContact CA-OE1 3.47Å; L438-E625 VanDerWaalsContact CB-OE2 3.26Å; L438-E625 WeakPolarHBondContact CB-OE2 3.35Å; L438-E625 PolarHBondContact N-OE1 3.34Å; L438-E625 PolarHBondContact N-OE2 3.46Å; Y593-E625 HydrophobicContact CD1-CB 4.32Å; Y593-E625 HydrophobicContact CE1-CB 3.5Å; Y593-E625 VanDerWaalsContact CE1-CB 3.5Å; K621-E625 WeakPolarHBondContact CE-OE1 3.48Å; K621-E625 IonicContact NZ-OE1 3.39Å; K621-E625 WeakPolarHBondContact O-CG 3.42Å; K621-E625 PolarHBondContact O-N 3.5Å; E625-D628 PolarHBondContact O-N 2.87Å; E625-Y629 VanDerWaalsContact O-CB 3.31Å; E625-Y629 WeakPolarHBondContact O-CB 3.28Å; E625-Y629 PolarHBondContact O-N 3.07Å
626	L	88.2	Confident	86.9	Confident	0 Å²	0	74.1 Å²	74.1	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-62.6	-40.1	170.4	178.3	59.3	0	0	0	112.4	E590 Y593 I597 A622 Y629 V630 L641 I644 L645	E590-L626 HydrophobicContact CG-CD1 4.18Å; Y593-L626 HydrophobicContact CD1-CB 4.43Å; Y593-L626 HydrophobicContact CD2-CB 4.22Å; Y593-L626 HydrophobicContact CD2-CD1 3.99Å; Y593-L626 HydrophobicContact CG-CB 3.95Å; Y593-L626 HydrophobicContact CG-CD1 4.26Å; I597-L626 HydrophobicContact CD1-CD2 3.69Å; A622-L626 WeakPolarHBondContact O-CB 3.38Å; A622-L626 PolarHBondContact O-N 3.35Å; L626-Y629 PolarHBondContact O-N 2.85Å; L626-V630 HydrophobicContact CD1-CG2 3.89Å; L626-V630 HydrophobicContact CG-CG2 4.46Å; L626-V630 WeakPolarHBondContact O-CB 3.24Å; L626-V630 WeakPolarHBondContact O-CG2 3.25Å; L626-V630 PolarHBondContact O-N 2.69Å; L626-L641 HydrophobicContact CD2-CD1 3.98Å; L626-L641 HydrophobicContact CG-CD1 3.82Å; L626-I644 HydrophobicContact CD2-CG2 4.26Å; L626-L645 HydrophobicContact CD2-CD2 4.32Å
627	Q	88.6	Confident	86.9	Confident	96 Å²	96	71 Å²	71	45%	0.449	34%	0.343	S	S	.	.	H	α-helix	trans	-64.3	-46.4	178	175.8	173.6	-15.6	0	0	111.8	L623 M624 V630 Q631 L641	L623-Q627 WeakPolarHBondContact O-CB 3.3Å; L623-Q627 PolarHBondContact O-N 2.8Å; M624-Q627 PolarHBondContact O-N 3.27Å; Q627-V630 PolarHBondContact O-N 2.94Å; Q627-Q631 VanDerWaalsContact O-CB 3.28Å; Q627-Q631 WeakPolarHBondContact O-CB 3.36Å; Q627-Q631 PolarHBondContact O-N 3.19Å; Q627-L641 HydrophobicContact CB-CD2 3.88Å; Q627-L641 HydrophobicContact CG-CD2 3.87Å
628	D	87.8	Confident	87.1	Confident	101 Å²	101	71.9 Å²	71.9	54%	0.54	36%	0.356	S	S	.	.	H	α-helix	trans	-62.8	-45.5	176.2	-172.9	74.4	0	0	0	111	M624 E625 V630 Q631 K632	M624-D628 PolarHBondContact O-N 3.18Å; E625-D628 PolarHBondContact O-N 2.87Å; D628-V630 PolarHBondContact O-N 3.09Å; D628-Q631 PolarHBondContact O-N 2.83Å; D628-K632 WeakPolarHBondContact O-CB 3.42Å; D628-K632 PolarHBondContact O-N 3.15Å
629	Y	89.8	Confident	87.2	Confident	40 Å²	40	78.9 Å²	78.9	16%	0.157	38%	0.384	C	S	.	.	H	α-helix	trans	-56.3	-49.5	176.6	-179.2	-91.7	0	0	0	112.3	D587 Y589 E590 Y593 E625 L626 K632 T633	D587-Y629 WeakPolarHBondContact OD2-CE1 3.31Å; D587-Y629 PolarHBondContact OD2-OH 3.44Å; Y589-Y629 HydrophobicContact CD1-CD2 4.45Å; Y589-Y629 HydrophobicContact CD1-CE2 4Å; Y589-Y629 AromaticContact CD2-CE2 3.92Å; Y589-Y629 HydrophobicContact CD2-CE2 3.92Å; Y589-Y629 AromaticContact CD2-CZ 3.81Å; Y589-Y629 WeakPolarHBondContact CD2-OH 3.48Å; Y589-Y629 HydrophobicContact CG-CD2 4.37Å; Y589-Y629 AromaticContact CG-CE2 3.65Å; Y589-Y629 HydrophobicContact CG-CE2 3.65Å; Y589-Y629 AromaticContact CG-CZ 3.77Å; E590-Y629 HydrophobicContact CG-CD1 4.32Å; E590-Y629 HydrophobicContact CG-CE1 4.11Å; Y593-Y629 HydrophobicContact CE2-CG 4.33Å; E625-Y629 VanDerWaalsContact O-CB 3.31Å; E625-Y629 WeakPolarHBondContact O-CB 3.28Å; E625-Y629 PolarHBondContact O-N 3.07Å; L626-Y629 PolarHBondContact O-N 2.85Å; Y629-K632 PolarHBondContact O-N 3.11Å; Y629-T633 HydrophobicContact CE1-CG2 4.41Å; Y629-T633 VanDerWaalsContact O-CB 3.25Å; Y629-T633 WeakPolarHBondContact O-CB 3.36Å; Y629-T633 PolarHBondContact O-N 2.97Å; Y629-T633 PolarHBondContact O-OG1 3.48Å
630	V	89.1	Confident	87.2	Confident	7 Å²	7	77.7 Å²	77.7	4%	0.042	38%	0.377	C	S	.	.	H	α-helix	trans	-66	-42	179.3	171.5	0	0	0	0	111.1	L626 Q627 D628 K632 Y634 R640 L641 I644	L626-V630 HydrophobicContact CD1-CG2 3.89Å; L626-V630 HydrophobicContact CG-CG2 4.46Å; L626-V630 WeakPolarHBondContact O-CB 3.24Å; L626-V630 WeakPolarHBondContact O-CG2 3.25Å; L626-V630 PolarHBondContact O-N 2.69Å; Q627-V630 PolarHBondContact O-N 2.94Å; D628-V630 PolarHBondContact O-N 3.09Å; V630-K632 VanDerWaalsContact C-N 3.28Å; V630-K632 PolarHBondContact O-N 3.21Å; V630-Y634 CarbonylContact O-C 3.59Å; V630-Y634 WeakPolarHBondContact O-CA 3.46Å; V630-Y634 WeakPolarHBondContact O-CB 3.42Å; V630-Y634 PolarHBondContact O-N 3.36Å; V630-R640 HydrophobicContact CG1-CB 3.87Å; V630-R640 HydrophobicContact CG1-CG 4.19Å; V630-L641 HydrophobicContact CG1-CB 4.19Å; V630-I644 HydrophobicContact CG2-CD1 4.06Å
631	Q	89.3	Confident	87.3	Confident	130 Å²	130	74 Å²	74	61%	0.607	36%	0.361	S	S	*	.	H	α-helix	trans	-66	-31	178.9	-176.7	171.3	-20.4	0	0	112.8	Q627 D628	Q627-Q631 VanDerWaalsContact O-CB 3.28Å; Q627-Q631 WeakPolarHBondContact O-CB 3.36Å; Q627-Q631 PolarHBondContact O-N 3.19Å; D628-Q631 PolarHBondContact O-N 2.83Å
632	K	89.6	Confident	87.5	Confident	164 Å²	164	75.9 Å²	75.9	71%	0.713	38%	0.376	S	S	*	.	H	α-helix	trans	-82.4	-39.9	179.3	-177.7	179.9	178.7	-177.7	0	113.2	D628 Y629 V630	D628-K632 WeakPolarHBondContact O-CB 3.42Å; D628-K632 PolarHBondContact O-N 3.15Å; Y629-K632 PolarHBondContact O-N 3.11Å; V630-K632 VanDerWaalsContact C-N 3.28Å; V630-K632 PolarHBondContact O-N 3.21Å
633	T	89.8	Confident	87.4	Confident	62 Å²	62	80.4 Å²	80.4	38%	0.38	39%	0.393	S	S	.	.	H	α-helix	trans	-88.1	-32.3	-175.7	-53.9	0	0	0	0	112.1	Y629 P635	Y629-T633 HydrophobicContact CE1-CG2 4.41Å; Y629-T633 VanDerWaalsContact O-CB 3.25Å; Y629-T633 WeakPolarHBondContact O-CB 3.36Å; Y629-T633 PolarHBondContact O-N 2.97Å; Y629-T633 PolarHBondContact O-OG1 3.48Å; T633-P635 VanDerWaalsContact C-CD 3.44Å
634	Y	88.1	Confident	87.5	Confident	72 Å²	72	77.2 Å²	77.2	28%	0.282	38%	0.376	S	S	.	.			trans	-128.9	55.4	-175.9	-57.8	-79.9	0	0	0	112.7	D587 E590 V630 E636 D637 R640	D587-Y634 PolarHBondContact OD2-OH 3.3Å; E590-Y634 WeakPolarHBondContact OE1-CE2 3.31Å; V630-Y634 CarbonylContact O-C 3.59Å; V630-Y634 WeakPolarHBondContact O-CA 3.46Å; V630-Y634 WeakPolarHBondContact O-CB 3.42Å; V630-Y634 PolarHBondContact O-N 3.36Å; Y634-E636 PolarHBondContact O-N 3.05Å; Y634-D637 PolarHBondContact O-N 3.43Å; Y634-D637 VanDerWaalsContact O-N 3.1Å; Y634-R640 VanDerWaalsContact CD2-CD 3.44Å; Y634-R640 VanDerWaalsContact CE2-NE 3.3Å; Y634-R640 VanDerWaalsContact CG-CD 3.45Å
635	P	82.9	Confident	87.5	Confident	81 Å²	81	73.9 Å²	73.9	53%	0.526	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-26.5	-175.1	24.6	-35.2	0	0	0	113.9	T633	T633-P635 VanDerWaalsContact C-CD 3.44Å
636	E	83.4	Confident	87.4	Confident	181 Å²	181	75.7 Å²	75.7	85%	0.846	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-23.6	-179.9	-55.3	-60.2	135	0	0	114.1	Y634	Y634-E636 PolarHBondContact O-N 3.05Å
637	D	83.9	Confident	87.4	Confident	42 Å²	42	78.3 Å²	78.3	23%	0.225	38%	0.384	C	S	.	.			trans	-103.5	77.8	175.5	-172.4	-1.4	0	0	0	110.8	Y634 Y639 R640 R643	Y634-D637 PolarHBondContact O-N 3.43Å; Y634-D637 VanDerWaalsContact O-N 3.1Å; D637-Y639 PolarHBondContact O-N 2.91Å; D637-Y639 WeakPolarHBondContact OD1-CA 3.48Å; D637-Y639 PolarHBondContact OD1-N 3.32Å; D637-R640 HydrophobicContact CB-CB 4.01Å; D637-R640 WeakPolarHBondContact O-CB 3.22Å; D637-R640 PolarHBondContact O-N 2.92Å; D637-R640 PolarHBondContact OD1-N 3.17Å; D637-R643 IonicContact OD2-CZ 3.38Å; D637-R643 IonicContact OD2-NH1 3.22Å; D637-R643 PolarHBondContact OD2-NH1 2.96Å
638	T	84.8	Confident	87.3	Confident	116 Å²	116	74.4 Å²	74.4	71%	0.712	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-16.2	174.4	-39.1	0	0	0	0	113.5
639	Y	86.6	Confident	87.2	Confident	154 Å²	154	71.2 Å²	71.2	60%	0.604	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-5	-179.6	-60.2	-77.4	0	0	0	113.8	D637 L641 T642 R643	D637-Y639 PolarHBondContact O-N 2.91Å; D637-Y639 WeakPolarHBondContact OD1-CA 3.48Å; D637-Y639 PolarHBondContact OD1-N 3.32Å; Y639-L641 PolarHBondContact O-N 2.88Å; Y639-T642 WeakPolarHBondContact O-CB 3.18Å; Y639-T642 PolarHBondContact O-N 3.42Å; Y639-T642 VanDerWaalsContact O-N 3.09Å; Y639-R643 WeakPolarHBondContact O-CG 3.43Å; Y639-R643 PolarHBondContact O-N 3.07Å
640	R	87.9	Confident	86.9	Confident	13 Å²	13	71.2 Å²	71.2	5%	0.049	36%	0.36	C	S	.	.	H	α-helix	trans	-56.8	-46.6	-176.8	-172.6	168.2	175.8	97.4	1.4	112.7	L584 E585 E590 V630 Y634 D637 T642 R643 I644	L584-R640 PolarHBondContact O-NH1 3.49Å; E585-R640 PolarHBondContact O-NH2 3.03Å; E590-R640 VanDerWaalsContact CD-NH2 3.31Å; E590-R640 IonicContact OE1-CZ 3.09Å; E590-R640 IonicContact OE1-NE 2.66Å; E590-R640 PolarHBondContact OE1-NE 3Å; E590-R640 IonicContact OE1-NH2 2.76Å; E590-R640 PolarHBondContact OE1-NH2 2.86Å; E590-R640 IonicContact OE2-CZ 3.87Å; E590-R640 IonicContact OE2-NE 3.67Å; E590-R640 IonicContact OE2-NH2 2.75Å; E590-R640 PolarHBondContact OE2-NH2 3.32Å; V630-R640 HydrophobicContact CG1-CB 3.87Å; V630-R640 HydrophobicContact CG1-CG 4.19Å; Y634-R640 VanDerWaalsContact CD2-CD 3.44Å; Y634-R640 VanDerWaalsContact CE2-NE 3.3Å; Y634-R640 VanDerWaalsContact CG-CD 3.45Å; D637-R640 HydrophobicContact CB-CB 4.01Å; D637-R640 WeakPolarHBondContact O-CB 3.22Å; D637-R640 PolarHBondContact O-N 2.92Å; D637-R640 PolarHBondContact OD1-N 3.17Å; R640-T642 VanDerWaalsContact C-N 3.3Å; R640-T642 PolarHBondContact O-N 3.48Å; R640-R643 CarbonylContact O-C 3.55Å; R640-R643 WeakPolarHBondContact O-CA 3.35Å; R640-R643 WeakPolarHBondContact O-CB 3.49Å; R640-R643 PolarHBondContact O-N 3.24Å; R640-I644 HydrophobicContact CG-CD1 3.82Å; R640-I644 HydrophobicContact CG-CG1 4.44Å; R640-I644 WeakPolarHBondContact O-CG1 3.2Å; R640-I644 PolarHBondContact O-N 2.91Å
641	L	87.3	Confident	86.7	Confident	29 Å²	29	71 Å²	71	15%	0.152	36%	0.358	C	S	.	.	H	α-helix	trans	-54.7	-45.2	175.8	-178.7	63.6	0	0	0	111.8	L626 Q627 V630 Y639 I644 L645	L626-L641 HydrophobicContact CD2-CD1 3.98Å; L626-L641 HydrophobicContact CG-CD1 3.82Å; Q627-L641 HydrophobicContact CB-CD2 3.88Å; Q627-L641 HydrophobicContact CG-CD2 3.87Å; V630-L641 HydrophobicContact CG1-CB 4.19Å; Y639-L641 PolarHBondContact O-N 2.88Å; L641-I644 WeakPolarHBondContact O-CB 3.45Å; L641-I644 PolarHBondContact O-N 3.4Å; L641-L645 HydrophobicContact CD1-CD1 3.95Å; L641-L645 HydrophobicContact CD1-CG 4.23Å; L641-L645 HydrophobicContact CG-CD1 3.9Å; L641-L645 VanDerWaalsContact O-CG 3.32Å; L641-L645 WeakPolarHBondContact O-CG 3.07Å; L641-L645 PolarHBondContact O-N 2.98Å
642	T	88.2	Confident	86.4	Confident	82 Å²	82	69.8 Å²	69.8	50%	0.503	35%	0.348	S	S	.	.	H	α-helix	trans	-66.7	-38.6	176.6	-53	0	0	0	0	111.9	Y639 R640 I644 T646	Y639-T642 WeakPolarHBondContact O-CB 3.18Å; Y639-T642 PolarHBondContact O-N 3.42Å; Y639-T642 VanDerWaalsContact O-N 3.09Å; R640-T642 VanDerWaalsContact C-N 3.3Å; R640-T642 PolarHBondContact O-N 3.48Å; T642-I644 VanDerWaalsContact C-N 3.28Å; T642-I644 PolarHBondContact O-N 2.93Å; T642-T646 HydrophobicContact CG2-CG2 4.41Å; T642-T646 WeakPolarHBondContact O-CB 3.46Å; T642-T646 VanDerWaalsContact O-CG2 3.25Å; T642-T646 WeakPolarHBondContact O-CG2 3.28Å; T642-T646 PolarHBondContact O-N 3.22Å; T642-T646 PolarHBondContact O-OG1 2.9Å
643	R	87.1	Confident	86.2	Confident	95 Å²	95	66.5 Å²	66.5	36%	0.358	34%	0.338	S	S	.	.	H	α-helix	trans	-65.8	-28.4	176.1	-68.2	169.6	62.1	-154.2	-1.7	113.1	L584 D637 Y639 R640 T646 R647	L584-R643 HydrophobicContact CD1-CB 3.74Å; L584-R643 WeakPolarHBondContact CD2-O 3.42Å; D637-R643 IonicContact OD2-CZ 3.38Å; D637-R643 IonicContact OD2-NH1 3.22Å; D637-R643 PolarHBondContact OD2-NH1 2.96Å; Y639-R643 WeakPolarHBondContact O-CG 3.43Å; Y639-R643 PolarHBondContact O-N 3.07Å; R640-R643 CarbonylContact O-C 3.55Å; R640-R643 WeakPolarHBondContact O-CA 3.35Å; R640-R643 WeakPolarHBondContact O-CB 3.49Å; R640-R643 PolarHBondContact O-N 3.24Å; R643-T646 PolarHBondContact O-OG1 3.38Å; R643-R647 PolarHBondContact O-NE 2.97Å; R643-R647 PolarHBondContact O-NH2 3.47Å
644	I	88.4	Confident	85.9	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-77	-56.3	174	-70.9	165.2	0	0	0	110.7	L584 E590 L594 L626 V630 R640 L641 T642 T646 R647	L584-I644 HydrophobicContact CD2-CB 4.46Å; L584-I644 HydrophobicContact CD2-CG1 3.78Å; L584-I644 HydrophobicContact CG-CG1 4.41Å; E590-I644 HydrophobicContact CB-CD1 4.48Å; E590-I644 VanDerWaalsContact CD-CD1 3.47Å; E590-I644 HydrophobicContact CG-CD1 3.99Å; E590-I644 WeakPolarHBondContact OE1-CD1 3.44Å; L594-I644 HydrophobicContact CD1-CG2 4.04Å; L594-I644 HydrophobicContact CD2-CG2 3.77Å; L594-I644 HydrophobicContact CG-CG2 3.93Å; L626-I644 HydrophobicContact CD2-CG2 4.26Å; V630-I644 HydrophobicContact CG2-CD1 4.06Å; R640-I644 HydrophobicContact CG-CD1 3.82Å; R640-I644 HydrophobicContact CG-CG1 4.44Å; R640-I644 WeakPolarHBondContact O-CG1 3.2Å; R640-I644 PolarHBondContact O-N 2.91Å; L641-I644 WeakPolarHBondContact O-CB 3.45Å; L641-I644 PolarHBondContact O-N 3.4Å; T642-I644 VanDerWaalsContact C-N 3.28Å; T642-I644 PolarHBondContact O-N 2.93Å; I644-T646 PolarHBondContact O-N 3.47Å; I644-R647 VanDerWaalsContact O-CB 3.26Å; I644-R647 WeakPolarHBondContact O-CB 3.48Å; I644-R647 WeakPolarHBondContact O-CG 3.47Å; I644-R647 PolarHBondContact O-N 2.87Å
645	L	88	Confident	85.8	Confident	52 Å²	52	64.6 Å²	64.6	27%	0.272	33%	0.33	S	S	.	.	H	α-helix	trans	-63.4	-29.1	-176.9	-65.1	171	0	0	0	112.5	I597 L623 L626 L641 R647 L648 P649	I597-L645 HydrophobicContact CD1-CD2 4.17Å; L623-L645 HydrophobicContact CD1-CD1 3.75Å; L623-L645 HydrophobicContact CD1-CD2 3.77Å; L623-L645 HydrophobicContact CD1-CG 4.4Å; L626-L645 HydrophobicContact CD2-CD2 4.32Å; L641-L645 HydrophobicContact CD1-CD1 3.95Å; L641-L645 HydrophobicContact CD1-CG 4.23Å; L641-L645 HydrophobicContact CG-CD1 3.9Å; L641-L645 VanDerWaalsContact O-CG 3.32Å; L641-L645 WeakPolarHBondContact O-CG 3.07Å; L641-L645 PolarHBondContact O-N 2.98Å; L645-R647 PolarHBondContact O-N 2.92Å; L645-R647 VanDerWaalsContact O-N 3.16Å; L645-L648 HydrophobicContact CD2-CD1 4.19Å; L645-L648 PolarHBondContact O-N 3.34Å; L645-P649 WeakPolarHBondContact O-CD 3.43Å
646	T	87.8	Confident	86.1	Confident	73 Å²	73	62.8 Å²	62.8	45%	0.448	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	0.1	173	50.1	0	0	0	0	114.9	T642 R643 I644	T642-T646 HydrophobicContact CG2-CG2 4.41Å; T642-T646 WeakPolarHBondContact O-CB 3.46Å; T642-T646 VanDerWaalsContact O-CG2 3.25Å; T642-T646 WeakPolarHBondContact O-CG2 3.28Å; T642-T646 PolarHBondContact O-N 3.22Å; T642-T646 PolarHBondContact O-OG1 2.9Å; R643-T646 PolarHBondContact O-OG1 3.38Å; I644-T646 PolarHBondContact O-N 3.47Å
647	R	86.8	Confident	86.2	Confident	55 Å²	55	57.2 Å²	57.2	21%	0.208	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-34	167.3	-54.1	-68.7	135.5	-129.9	-25	112.3	F577 S580 M581 L584 R643 I644 L645 A650 L651	F577-R647 HydrophobicContact CE2-CB 4.18Å; S580-R647 PolarHBondContact OG-NH1 2.96Å; M581-R647 HydrophobicContact SD-CB 3.95Å; M581-R647 HydrophobicContact SD-CG 3.52Å; M581-R647 VanDerWaalsContact SD-CG 3.52Å; L584-R647 HydrophobicContact CD2-CG 4.16Å; R643-R647 PolarHBondContact O-NE 2.97Å; R643-R647 PolarHBondContact O-NH2 3.47Å; I644-R647 VanDerWaalsContact O-CB 3.26Å; I644-R647 WeakPolarHBondContact O-CB 3.48Å; I644-R647 WeakPolarHBondContact O-CG 3.47Å; I644-R647 PolarHBondContact O-N 2.87Å; L645-R647 PolarHBondContact O-N 2.92Å; L645-R647 VanDerWaalsContact O-N 3.16Å; R647-A650 WeakPolarHBondContact O-CB 3.35Å; R647-A650 PolarHBondContact O-N 3.5Å; R647-L651 PolarHBondContact O-N 3.09Å
648	L	86.3	Confident	86.3	Confident	13 Å²	13	56 Å²	56	7%	0.068	29%	0.294	C	S	.	.	H	α-helix	trans	-58.7	-38.2	-176.1	-61.8	173.8	0	0	0	114.1	L594 I597 V598 L645 A650 L651 R652	L594-L648 HydrophobicContact CD2-CD1 4.32Å; L594-L648 HydrophobicContact CD2-CD2 3.75Å; L594-L648 HydrophobicContact CD2-CG 3.98Å; I597-L648 HydrophobicContact CG2-CD1 3.8Å; V598-L648 HydrophobicContact CG2-CD2 3.63Å; L645-L648 HydrophobicContact CD2-CD1 4.19Å; L645-L648 PolarHBondContact O-N 3.34Å; L648-A650 VanDerWaalsContact C-N 3.28Å; L648-A650 PolarHBondContact O-N 3.14Å; L648-L651 HydrophobicContact CD2-CD2 4.25Å; L648-L651 WeakPolarHBondContact O-CB 3.22Å; L648-L651 PolarHBondContact O-N 3.16Å; L648-R652 PolarHBondContact O-N 2.66Å; L648-R652 VanDerWaalsContact O-N 3.15Å
649	P	85.6	Confident	86.4	Confident	34 Å²	34	50.5 Å²	50.5	22%	0.221	26%	0.26	C	S	.	.	H	α-helix	trans	-65.1	-26.9	174.2	-23.8	35.4	0	0	0	114.3	F148 L645 L653	F148-P649 HydrophobicContact CE1-CB 4.31Å; F148-P649 HydrophobicContact CE1-CG 4.39Å; F148-P649 HydrophobicContact CE2-CB 3.6Å; F148-P649 HydrophobicContact CZ-CB 3.41Å; F148-P649 VanDerWaalsContact CZ-CB 3.41Å; F148-P649 HydrophobicContact CZ-CG 3.88Å; L645-P649 WeakPolarHBondContact O-CD 3.43Å; P649-L653 WeakPolarHBondContact O-CG 3.24Å
650	A	83.8	Confident	86.5	Confident	41 Å²	41	44.9 Å²	44.9	34%	0.339	24%	0.239	S	C	.	.	H	α-helix	trans	-77.5	-35.3	175.2	0	0	0	0	0	111.5	F577 R647 L648 R652 L653	F577-A650 HydrophobicContact CD2-CB 4.28Å; R647-A650 WeakPolarHBondContact O-CB 3.35Å; R647-A650 PolarHBondContact O-N 3.5Å; L648-A650 VanDerWaalsContact C-N 3.28Å; L648-A650 PolarHBondContact O-N 3.14Å; A650-R652 VanDerWaalsContact C-N 3.34Å; A650-L653 PolarHBondContact O-N 3.33Å
651	L	85	Confident	86.3	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-41.8	175	-167.6	59.3	0	0	0	111.6	E502 I505 L506 F577 V598 R647 L648 L653 M654	E502-L651 HydrophobicContact CB-CD1 4.42Å; E502-L651 HydrophobicContact CB-CD2 3.79Å; E502-L651 HydrophobicContact CB-CG 3.8Å; E502-L651 HydrophobicContact CG-CD2 4.27Å; E502-L651 HydrophobicContact CG-CG 3.87Å; E502-L651 WeakPolarHBondContact OE2-CD2 3.42Å; I505-L651 HydrophobicContact CB-CD1 3.72Å; I505-L651 HydrophobicContact CG2-CD1 3.52Å; L506-L651 HydrophobicContact CD1-CD2 3.69Å; L506-L651 HydrophobicContact CD2-CD2 4.21Å; L506-L651 HydrophobicContact CG-CD2 3.68Å; F577-L651 HydrophobicContact CE1-CD1 4.17Å; F577-L651 HydrophobicContact CE2-CB 4.09Å; F577-L651 HydrophobicContact CE2-CD1 4.16Å; F577-L651 HydrophobicContact CZ-CB 4.46Å; F577-L651 HydrophobicContact CZ-CD1 3.82Å; V598-L651 HydrophobicContact CG2-CD2 3.93Å; R647-L651 PolarHBondContact O-N 3.09Å; L648-L651 HydrophobicContact CD2-CD2 4.25Å; L648-L651 WeakPolarHBondContact O-CB 3.22Å; L648-L651 PolarHBondContact O-N 3.16Å; L651-L653 PolarHBondContact O-N 3.07Å; L651-M654 VanDerWaalsContact O-CB 3.3Å; L651-M654 WeakPolarHBondContact O-CB 3.39Å; L651-M654 WeakPolarHBondContact O-CG 3.39Å; L651-M654 PolarHBondContact O-N 3.5Å; L651-M654 VanDerWaalsContact O-N 3.17Å
652	R	84.3	Confident	86	Confident	105 Å²	105	46.9 Å²	46.9	40%	0.396	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-9.4	174.9	-72.5	172.7	-177.3	160.8	1.9	115.7	E502 L648 A650	E502-R652 VanDerWaalsContact OE1-CG 3.27Å; E502-R652 WeakPolarHBondContact OE1-CG 3.38Å; E502-R652 IonicContact OE1-NE 3.82Å; L648-R652 PolarHBondContact O-N 2.66Å; L648-R652 VanDerWaalsContact O-N 3.15Å; A650-R652 VanDerWaalsContact C-N 3.34Å
653	L	84.1	Confident	85.8	Confident	96 Å²	96	43.1 Å²	43.1	50%	0.503	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	2.3	174.7	-67	171.3	0	0	0	112.9	P649 A650 L651	P649-L653 WeakPolarHBondContact O-CG 3.24Å; A650-L653 PolarHBondContact O-N 3.33Å; L651-L653 PolarHBondContact O-N 3.07Å
654	M	84.3	Confident	85.6	Confident	13 Å²	13	38.9 Å²	38.9	6%	0.064	21%	0.209	C	C	.	.	S	Bend	trans	-85.2	117.3	177.8	-56.8	-66	-172.2	0	0	110.4	N501 I505 K573 F577 L651 S656	N501-M654 PolarHBondContact ND2-O 3.34Å; I505-M654 HydrophobicContact CD1-CB 3.47Å; I505-M654 VanDerWaalsContact CD1-CB 3.47Å; I505-M654 HydrophobicContact CD1-CG 3.58Å; I505-M654 HydrophobicContact CD1-SD 4.4Å; K573-M654 HydrophobicContact CB-CE 4.17Å; K573-M654 HydrophobicContact CB-SD 3.96Å; F577-M654 HydrophobicContact CB-CE 3.52Å; F577-M654 HydrophobicContact CD2-CE 4.4Å; F577-M654 HydrophobicContact CG-CE 3.95Å; L651-M654 VanDerWaalsContact O-CB 3.3Å; L651-M654 WeakPolarHBondContact O-CB 3.39Å; L651-M654 WeakPolarHBondContact O-CG 3.39Å; L651-M654 PolarHBondContact O-N 3.5Å; L651-M654 VanDerWaalsContact O-N 3.17Å; M654-S656 PolarHBondContact O-N 3.37Å
655	N	86.1	Confident	84.9	Confident	80 Å²	80	42.7 Å²	42.7	43%	0.428	23%	0.233	S	C	.	.			trans	-74.6	120.5	176.8	-177.3	-15.7	0	0	0	110.2	H570 S657 I658 T659	H570-N655 PolarHBondContact NE2-O 2.82Å; N655-S657 PolarHBondContact O-N 3.46Å; N655-S657 PolarHBondContact OD1-N 3.26Å; N655-I658 HydrophobicContact CB-CB 4.47Å; N655-I658 HydrophobicContact CB-CD1 4.15Å; N655-I658 HydrophobicContact CB-CG1 4.25Å; N655-I658 PolarHBondContact O-N 2.95Å; N655-T659 PolarHBondContact O-N 2.95Å; N655-T659 PolarHBondContact O-OG1 2.97Å
656	S	88.5	Confident	83.8	Confident	43 Å²	43	42 Å²	42	30%	0.301	24%	0.239	S	C	.	.	H	α-helix	trans	-58.9	-43.8	179.2	49.6	0	0	0	0	112.9	M654 I658 T659 E660	M654-S656 PolarHBondContact O-N 3.37Å; S656-I658 VanDerWaalsContact C-N 3.26Å; S656-I658 PolarHBondContact O-N 3.17Å; S656-T659 CarbonylContact O-C 3.54Å; S656-T659 WeakPolarHBondContact O-CA 3.47Å; S656-T659 VanDerWaalsContact O-CB 3.28Å; S656-T659 WeakPolarHBondContact O-CB 3.32Å; S656-T659 PolarHBondContact O-N 3.48Å; S656-E660 WeakPolarHBondContact O-CG 3.34Å; S656-E660 PolarHBondContact O-N 3.43Å
657	S	85.6	Confident	82.7	Confident	64 Å²	64	40.6 Å²	40.6	45%	0.448	23%	0.228	S	C	.	.	H	α-helix	trans	-62.7	-30.7	-178.2	177.3	0	0	0	0	113	N655 E661	N655-S657 PolarHBondContact O-N 3.46Å; N655-S657 PolarHBondContact OD1-N 3.26Å; S657-E661 PolarHBondContact O-N 3.02Å
658	I	86.1	Confident	81.5	Confident	17 Å²	17	39.9 Å²	39.9	9%	0.087	23%	0.228	C	C	.	.	H	α-helix	trans	-78.2	-31.5	173.9	-58.2	176.2	0	0	0	110.7	Q566 V567 H570 N655 S656 E661 L662	Q566-I658 HydrophobicContact CB-CD1 4.36Å; V567-I658 HydrophobicContact CG2-CG2 4.24Å; H570-I658 HydrophobicContact CB-CB 4.4Å; H570-I658 HydrophobicContact CB-CD1 4.31Å; H570-I658 HydrophobicContact CB-CG2 3.65Å; N655-I658 HydrophobicContact CB-CB 4.47Å; N655-I658 HydrophobicContact CB-CD1 4.15Å; N655-I658 HydrophobicContact CB-CG1 4.25Å; N655-I658 PolarHBondContact O-N 2.95Å; S656-I658 VanDerWaalsContact C-N 3.26Å; S656-I658 PolarHBondContact O-N 3.17Å; I658-E661 PolarHBondContact O-N 3.49Å; I658-L662 HydrophobicContact CG2-CD1 3.99Å; I658-L662 HydrophobicContact CG2-CG 4.3Å; I658-L662 WeakPolarHBondContact O-CB 3.17Å; I658-L662 VanDerWaalsContact O-CG 3.25Å; I658-L662 WeakPolarHBondContact O-CG 3.36Å; I658-L662 PolarHBondContact O-N 2.82Å
659	T	87.8	Confident	80.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-64.5	-39.8	169.9	-48.6	0	0	0	0	111.3	N501 F504 H570 N655 S656 F663	N501-T659 VanDerWaalsContact OD1-CB 3.31Å; N501-T659 WeakPolarHBondContact OD1-CB 3.3Å; N501-T659 PolarHBondContact OD1-OG1 3.34Å; F504-T659 HydrophobicContact CD1-CG2 3.72Å; F504-T659 HydrophobicContact CE1-CG2 3.67Å; H570-T659 PolarHBondContact CE1-OG1 3.27Å; H570-T659 PolarHBondContact NE2-OG1 3.35Å; N655-T659 PolarHBondContact O-N 2.95Å; N655-T659 PolarHBondContact O-OG1 2.97Å; S656-T659 CarbonylContact O-C 3.54Å; S656-T659 WeakPolarHBondContact O-CA 3.47Å; S656-T659 VanDerWaalsContact O-CB 3.28Å; S656-T659 WeakPolarHBondContact O-CB 3.32Å; S656-T659 PolarHBondContact O-N 3.48Å; T659-F663 HydrophobicContact CG2-CD2 4.04Å; T659-F663 PolarHBondContact O-N 3.04Å; T659-F663 VanDerWaalsContact O-N 3.14Å
660	E	87.4	Confident	79.6	Confident	37 Å²	37	48.1 Å²	48.1	17%	0.173	28%	0.282	C	S	.	.	H	α-helix	trans	-59.3	-49.9	170.3	-64.4	-176.3	135.2	0	0	111	W500 S656 L662 F663 F664 T665 S672 I673	W500-E660 HydrophobicContact CH2-CG 3.59Å; W500-E660 HydrophobicContact CZ2-CG 3.84Å; S656-E660 WeakPolarHBondContact O-CG 3.34Å; S656-E660 PolarHBondContact O-N 3.43Å; E660-L662 VanDerWaalsContact C-N 3.33Å; E660-L662 PolarHBondContact O-N 3.43Å; E660-F663 PolarHBondContact O-N 3.5Å; E660-F664 WeakPolarHBondContact O-CA 3.39Å; E660-F664 PolarHBondContact O-N 3.33Å; E660-T665 PolarHBondContact O-N 2.98Å; E660-S672 WeakPolarHBondContact OE1-CA 3.31Å; E660-I673 HydrophobicContact CG-CG1 3.96Å; E660-I673 WeakPolarHBondContact OE1-CB 3.29Å; E660-I673 WeakPolarHBondContact OE1-CG1 3.49Å; E660-I673 PolarHBondContact OE1-N 3.5Å
661	E	83.3	Confident	79.2	Confident	62 Å²	62	48.8 Å²	48.8	29%	0.29	28%	0.282	S	S	.	.	H	α-helix	trans	-59.1	-41.5	-179.6	-172.6	169.1	172.4	0	0	112.5	R563 S657 I658 T665	R563-E661 IonicContact CZ-OE1 3.15Å; R563-E661 IonicContact CZ-OE2 2.86Å; R563-E661 IonicContact NE-OE1 2.66Å; R563-E661 PolarHBondContact NE-OE1 2.9Å; R563-E661 IonicContact NE-OE2 2.69Å; R563-E661 PolarHBondContact NE-OE2 2.96Å; R563-E661 IonicContact NH2-OE1 3.75Å; R563-E661 PolarHBondContact NH2-OE1 3.36Å; R563-E661 IonicContact NH2-OE2 3.4Å; R563-E661 PolarHBondContact NH2-OE2 3.42Å; S657-E661 PolarHBondContact O-N 3.02Å; I658-E661 PolarHBondContact O-N 3.49Å; E661-T665 VanDerWaalsContact CA-OG1 3.24Å; E661-T665 WeakPolarHBondContact CA-OG1 3.39Å; E661-T665 PolarHBondContact O-OG1 3.32Å
662	L	82.1	Confident	79	Confident	21 Å²	21	50.6 Å²	50.6	11%	0.11	30%	0.295	C	S	.	.	H	α-helix	trans	-73.5	-37.2	-177.7	-76.4	169.9	0	0	0	114.5	I524 V567 I571 I658 E660	I524-L662 HydrophobicContact CD1-CD2 4.33Å; I524-L662 HydrophobicContact CG2-CD2 3.84Å; V567-L662 HydrophobicContact CG1-CD2 3.81Å; V567-L662 HydrophobicContact CG1-CG 4.42Å; I571-L662 HydrophobicContact CD1-CD2 3.95Å; I571-L662 HydrophobicContact CG1-CD1 4Å; I571-L662 HydrophobicContact CG1-CD2 3.98Å; I658-L662 HydrophobicContact CG2-CD1 3.99Å; I658-L662 HydrophobicContact CG2-CG 4.3Å; I658-L662 WeakPolarHBondContact O-CB 3.17Å; I658-L662 VanDerWaalsContact O-CG 3.25Å; I658-L662 WeakPolarHBondContact O-CG 3.36Å; I658-L662 PolarHBondContact O-N 2.82Å; E660-L662 VanDerWaalsContact C-N 3.33Å; E660-L662 PolarHBondContact O-N 3.43Å
663	F	83.1	Confident	79.1	Confident	4 Å²	4	45.7 Å²	45.7	2%	0.018	28%	0.276	C	S	.	.	H	α-helix	trans	-115.8	-19.2	-167.8	-70.6	-76.7	0	0	0	114.9	I463 C464 A467 F504 L508 L517 I520 L521 F574 T659 E660	I463-F663 HydrophobicContact CG2-CD1 3.96Å; I463-F663 HydrophobicContact CG2-CE1 4.38Å; C464-F663 WeakPolarHBondContact CA-O 3.34Å; C464-F663 PolarHBondContact SG-O 3.4Å; A467-F663 HydrophobicContact CB-CB 3.85Å; A467-F663 HydrophobicContact CB-CD1 4.06Å; A467-F663 HydrophobicContact CB-CG 4.32Å; F504-F663 AromaticContact CE1-CD2 3.92Å; F504-F663 HydrophobicContact CE1-CD2 3.92Å; F504-F663 HydrophobicContact CE1-CE2 4.26Å; F504-F663 HydrophobicContact CE1-CG 4.24Å; F504-F663 HydrophobicContact CZ-CB 4.25Å; F504-F663 HydrophobicContact CZ-CD1 4.4Å; F504-F663 HydrophobicContact CZ-CD2 4.2Å; F504-F663 HydrophobicContact CZ-CG 4.03Å; L508-F663 HydrophobicContact CD2-CE1 3.88Å; L508-F663 HydrophobicContact CD2-CE2 4.04Å; L508-F663 HydrophobicContact CD2-CZ 3.54Å; L517-F663 HydrophobicContact CD1-CZ 4.26Å; I520-F663 HydrophobicContact CG2-CE1 4.4Å; L521-F663 HydrophobicContact CD2-CZ 4.44Å; F574-F663 HydrophobicContact CE2-CE2 4.12Å; F574-F663 HydrophobicContact CZ-CE2 4.38Å; T659-F663 HydrophobicContact CG2-CD2 4.04Å; T659-F663 PolarHBondContact O-N 3.04Å; T659-F663 VanDerWaalsContact O-N 3.14Å; E660-F663 PolarHBondContact O-N 3.5Å
664	F	82.9	Confident	79	Confident	5 Å²	5	43.9 Å²	43.9	2%	0.022	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-126.7	-14.7	-167.6	-62.4	-81.1	0	0	0	115.3	A467 L471 F504 E660 G666 L667 I668 I673	A467-F664 HydrophobicContact CB-CE1 4.01Å; A467-F664 HydrophobicContact CB-CE2 4.43Å; A467-F664 HydrophobicContact CB-CZ 3.87Å; L471-F664 HydrophobicContact CB-CE1 4.31Å; L471-F664 HydrophobicContact CB-CZ 4.11Å; L471-F664 HydrophobicContact CD2-CE1 3.99Å; L471-F664 HydrophobicContact CD2-CZ 4.07Å; F504-F664 HydrophobicContact CD2-CZ 4.23Å; F504-F664 HydrophobicContact CE1-CE2 4.39Å; F504-F664 AromaticContact CE2-CE2 3.99Å; F504-F664 HydrophobicContact CE2-CE2 3.99Å; F504-F664 AromaticContact CE2-CZ 3.64Å; F504-F664 HydrophobicContact CE2-CZ 3.64Å; F504-F664 AromaticContact CZ-CE2 3.9Å; F504-F664 HydrophobicContact CZ-CE2 3.9Å; F504-F664 AromaticContact CZ-CZ 3.98Å; F504-F664 HydrophobicContact CZ-CZ 3.98Å; E660-F664 WeakPolarHBondContact O-CA 3.39Å; E660-F664 PolarHBondContact O-N 3.33Å; F664-G666 VanDerWaalsContact C-N 3.28Å; F664-G666 PolarHBondContact O-N 3.26Å; F664-L667 PolarHBondContact O-N 2.94Å; F664-I668 HydrophobicContact CB-CD1 3.97Å; F664-I668 HydrophobicContact CB-CG1 4.28Å; F664-I668 HydrophobicContact CD1-CD1 3.84Å; F664-I668 HydrophobicContact CG-CD1 4.23Å; F664-I668 PolarHBondContact O-N 3.1Å; F664-I673 HydrophobicContact CD1-CD1 4.09Å; F664-I673 HydrophobicContact CD2-CD1 4.41Å; F664-I673 HydrophobicContact CE1-CD1 4.42Å; F664-I673 HydrophobicContact CG-CD1 4.07Å
665	T	75	Confident	79	Confident	80 Å²	80	45.9 Å²	45.9	49%	0.491	28%	0.282	S	S	.	.	H	α-helix	trans	-48	-45.6	177.5	-56.6	0	0	0	0	113.6	E660 E661 L667 G669	E660-T665 PolarHBondContact O-N 2.98Å; E661-T665 VanDerWaalsContact CA-OG1 3.24Å; E661-T665 WeakPolarHBondContact CA-OG1 3.39Å; E661-T665 PolarHBondContact O-OG1 3.32Å; T665-L667 PolarHBondContact O-N 3.29Å; T665-L667 VanDerWaalsContact O-N 3.14Å; T665-G669 PolarHBondContact O-N 3.3Å
666	G	63.7	Low	78.9	Confident	38 Å²	38	43.4 Å²	43.4	39%	0.392	27%	0.269	S	S	.	.	H	α-helix	trans	-73.8	4	-177.8	0	0	0	0	0	115.6	F664	F664-G666 VanDerWaalsContact C-N 3.28Å; F664-G666 PolarHBondContact O-N 3.26Å
667	L	65.4	Low	78.7	Confident	44 Å²	44	41.3 Å²	41.3	23%	0.23	25%	0.254	C	S	.	.	H	α-helix	trans	-132.4	-38.3	-175.2	-169.6	105.4	0	0	0	112.7	V354 C464 S468 F664 T665	V354-L667 HydrophobicContact CG1-CD1 4.34Å; V354-L667 HydrophobicContact CG1-CG 4.06Å; V354-L667 WeakPolarHBondContact CG1-O 3.33Å; V354-L667 HydrophobicContact CG2-CG 4.33Å; C464-L667 HydrophobicContact CB-CB 3.86Å; C464-L667 HydrophobicContact CB-CD1 4.18Å; S468-L667 WeakPolarHBondContact OG-CD2 3.3Å; F664-L667 PolarHBondContact O-N 2.94Å; T665-L667 PolarHBondContact O-N 3.29Å; T665-L667 VanDerWaalsContact O-N 3.14Å
668	I	61.3	Low	78.6	Confident	40 Å²	40	39.3 Å²	39.3	21%	0.205	24%	0.24	C	C	.	.	H	α-helix	trans	-109.6	-14.8	-170.3	-48.8	-173.9	0	0	0	112.1	F664 N670 V671 I673 I676	F664-I668 HydrophobicContact CB-CD1 3.97Å; F664-I668 HydrophobicContact CB-CG1 4.28Å; F664-I668 HydrophobicContact CD1-CD1 3.84Å; F664-I668 HydrophobicContact CG-CD1 4.23Å; F664-I668 PolarHBondContact O-N 3.1Å; I668-N670 PolarHBondContact O-N 2.74Å; I668-V671 HydrophobicContact CG2-CB 3.86Å; I668-V671 WeakPolarHBondContact CG2-O 3.49Å; I668-V671 PolarHBondContact O-N 3.2Å; I668-I673 HydrophobicContact CD1-CD1 3.43Å; I668-I673 VanDerWaalsContact CD1-CD1 3.43Å; I668-I676 HydrophobicContact CD1-CD1 4.08Å; I668-I676 HydrophobicContact CG2-CD1 3.43Å; I668-I676 VanDerWaalsContact CG2-CD1 3.43Å
669	G	67.2	Low	78.4	Confident	50 Å²	50	41.4 Å²	41.4	52%	0.515	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	-116.3	179.8	0	0	0	0	0	111.6	T665	T665-G669 PolarHBondContact O-N 3.3Å
670	N	64.9	Low	78.2	Confident	170 Å²	170	41.6 Å²	41.6	91%	0.909	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	0.3	-174.6	-69.7	7.8	0	0	0	114.5	I668	I668-N670 PolarHBondContact O-N 2.74Å
671	V	75.4	Confident	77.9	Confident	55 Å²	55	40.2 Å²	40.2	33%	0.333	24%	0.242	S	C	.	.			trans	-91.9	131.7	-177.7	-173.5	0	0	0	0	110.6	I668 I676	I668-V671 HydrophobicContact CG2-CB 3.86Å; I668-V671 WeakPolarHBondContact CG2-O 3.49Å; I668-V671 PolarHBondContact O-N 3.2Å; V671-I676 HydrophobicContact CB-CD1 4.45Å; V671-I676 HydrophobicContact CG1-CD1 3.97Å; V671-I676 HydrophobicContact CG1-CG1 4.01Å
672	S	81.4	Confident	77.7	Confident	39 Å²	39	44.2 Å²	44.2	27%	0.273	26%	0.258	S	S	.	.			trans	-79	152.3	179	61.9	0	0	0	0	113.2	E660 D674 S675	E660-S672 WeakPolarHBondContact OE1-CA 3.31Å; S672-D674 PolarHBondContact O-N 3.39Å; S672-S675 VanDerWaalsContact O-CB 3.3Å; S672-S675 WeakPolarHBondContact O-CB 3.48Å; S672-S675 PolarHBondContact O-N 3.3Å; S672-S675 PolarHBondContact OG-OG 3.3Å
673	I	84.8	Confident	77.4	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-60.2	-35.8	175.6	-60.8	-59.6	0	0	0	111.1	L471 W500 E660 F664 I668 S675 I676 I677	L471-I673 HydrophobicContact CD1-CG2 4.37Å; L471-I673 HydrophobicContact CD2-CD1 3.82Å; L471-I673 HydrophobicContact CD2-CG2 3.99Å; W500-I673 HydrophobicContact CD2-CB 4.25Å; W500-I673 HydrophobicContact CD2-CG2 3.65Å; W500-I673 HydrophobicContact CE3-CB 4.47Å; W500-I673 HydrophobicContact CE3-CG2 3.86Å; W500-I673 HydrophobicContact CG-CG2 4.14Å; W500-I673 HydrophobicContact CH2-CB 4.04Å; W500-I673 HydrophobicContact CH2-CG1 3.86Å; W500-I673 HydrophobicContact CH2-CG2 4.31Å; W500-I673 HydrophobicContact CZ2-CB 3.73Å; W500-I673 HydrophobicContact CZ2-CG1 4.05Å; W500-I673 HydrophobicContact CZ2-CG2 4.09Å; W500-I673 HydrophobicContact CZ3-CB 4.39Å; W500-I673 HydrophobicContact CZ3-CG1 4.19Å; W500-I673 HydrophobicContact CZ3-CG2 4.2Å; E660-I673 HydrophobicContact CG-CG1 3.96Å; E660-I673 WeakPolarHBondContact OE1-CB 3.29Å; E660-I673 WeakPolarHBondContact OE1-CG1 3.49Å; E660-I673 PolarHBondContact OE1-N 3.5Å; F664-I673 HydrophobicContact CD1-CD1 4.09Å; F664-I673 HydrophobicContact CD2-CD1 4.41Å; F664-I673 HydrophobicContact CE1-CD1 4.42Å; F664-I673 HydrophobicContact CG-CD1 4.07Å; I668-I673 HydrophobicContact CD1-CD1 3.43Å; I668-I673 VanDerWaalsContact CD1-CD1 3.43Å; I673-S675 PolarHBondContact O-N 3.16Å; I673-S675 VanDerWaalsContact O-N 3.16Å; I673-I676 PolarHBondContact O-N 3.47Å; I673-I677 HydrophobicContact CG2-CD1 3.95Å; I673-I677 HydrophobicContact CG2-CG1 4.03Å; I673-I677 WeakPolarHBondContact O-CG1 3.42Å; I673-I677 PolarHBondContact O-N 3.36Å
674	D	83.4	Confident	76.3	Confident	57 Å²	57	53.1 Å²	53.1	31%	0.305	30%	0.3	S	S	.	.	H	α-helix	trans	-58.5	-27.1	175	-66.6	-43.3	0	0	0	113.7	R497 W500 S672	R497-D674 HydrophobicContact CG-CB 4.48Å; R497-D674 VanDerWaalsContact CZ-O 3.3Å; R497-D674 PolarHBondContact NE-O 2.86Å; R497-D674 PolarHBondContact NH2-O 3.29Å; W500-D674 VanDerWaalsContact CD1-OD1 3.29Å; W500-D674 PolarHBondContact NE1-OD1 2.75Å; S672-D674 PolarHBondContact O-N 3.39Å
675	S	83.8	Confident	75	Confident	55 Å²	55	55.8 Å²	55.8	39%	0.385	32%	0.317	S	S	.	.	H	α-helix	trans	-78	-26.3	174.5	-55.1	0	0	0	0	112.3	S672 I673 Y679	S672-S675 VanDerWaalsContact O-CB 3.3Å; S672-S675 WeakPolarHBondContact O-CB 3.48Å; S672-S675 PolarHBondContact O-N 3.3Å; S672-S675 PolarHBondContact OG-OG 3.3Å; I673-S675 PolarHBondContact O-N 3.16Å; I673-S675 VanDerWaalsContact O-N 3.16Å; S675-Y679 WeakPolarHBondContact O-CD2 3.16Å; S675-Y679 WeakPolarHBondContact O-CE2 3.33Å
676	I	83.8	Confident	73.4	Confident	28 Å²	28	55.6 Å²	55.6	14%	0.144	32%	0.323	C	S	.	.	H	α-helix	trans	-98.6	-30.4	-169.5	-60	170.7	0	0	0	112.1	I668 V671 I673 P678 Y679 I680	I668-I676 HydrophobicContact CD1-CD1 4.08Å; I668-I676 HydrophobicContact CG2-CD1 3.43Å; I668-I676 VanDerWaalsContact CG2-CD1 3.43Å; V671-I676 HydrophobicContact CB-CD1 4.45Å; V671-I676 HydrophobicContact CG1-CD1 3.97Å; V671-I676 HydrophobicContact CG1-CG1 4.01Å; I673-I676 PolarHBondContact O-N 3.47Å; I676-P678 VanDerWaalsContact C-N 3.34Å; I676-P678 VanDerWaalsContact O-N 3.17Å; I676-Y679 WeakPolarHBondContact O-CB 3.28Å; I676-Y679 PolarHBondContact O-N 3.48Å; I676-I680 HydrophobicContact CG2-CD1 3.87Å; I676-I680 HydrophobicContact CG2-CG1 3.98Å; I676-I680 PolarHBondContact O-N 3.03Å; I676-I680 VanDerWaalsContact O-N 3.13Å
677	I	85.3	Confident	72.2	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-43.4	-45.8	175	-78.9	164.5	0	0	0	114.7	M475 V496 R497 W500 I673 Y679 I680 L681	M475-I677 HydrophobicContact SD-CG1 4.18Å; V496-I677 HydrophobicContact CB-CG2 4.14Å; V496-I677 HydrophobicContact CG1-CD1 4.22Å; V496-I677 HydrophobicContact CG1-CG1 4.33Å; V496-I677 HydrophobicContact CG1-CG2 3.64Å; R497-I677 HydrophobicContact CG-CB 4.45Å; R497-I677 HydrophobicContact CG-CD1 4.11Å; R497-I677 HydrophobicContact CG-CG2 4.19Å; W500-I677 HydrophobicContact CB-CD1 3.66Å; W500-I677 HydrophobicContact CG-CD1 3.59Å; I673-I677 HydrophobicContact CG2-CD1 3.95Å; I673-I677 HydrophobicContact CG2-CG1 4.03Å; I673-I677 WeakPolarHBondContact O-CG1 3.42Å; I673-I677 PolarHBondContact O-N 3.36Å; I677-Y679 PolarHBondContact O-N 3.1Å; I677-I680 PolarHBondContact O-N 3.08Å; I677-L681 HydrophobicContact CG2-CD1 3.81Å; I677-L681 HydrophobicContact CG2-CG 4.34Å; I677-L681 WeakPolarHBondContact O-CG 3.41Å; I677-L681 PolarHBondContact O-N 2.97Å
678	P	83	Confident	71.1	Confident	22 Å²	22	61.3 Å²	61.3	14%	0.143	34%	0.336	C	S	.	.	H	α-helix	trans	-64.1	-23.6	-179.6	-17.3	29.1	0	0	0	113.8	T493 I676 K682	T493-P678 HydrophobicContact CG2-CB 3.95Å; T493-P678 HydrophobicContact CG2-CG 3.7Å; I676-P678 VanDerWaalsContact C-N 3.34Å; I676-P678 VanDerWaalsContact O-N 3.17Å; P678-K682 WeakPolarHBondContact O-CD 3.17Å; P678-K682 VanDerWaalsContact O-CG 3.27Å; P678-K682 WeakPolarHBondContact O-CG 3.39Å
679	Y	82.1	Confident	69.9	Low	61 Å²	61	65.1 Å²	65.1	24%	0.239	36%	0.357	C	S	.	.	H	α-helix	trans	-85.5	-43.4	176.9	-58.1	-84.7	0	0	0	110.6	F390 S675 I676 I677 L681 K682 M683	F390-Y679 HydrophobicContact CB-CD1 3.88Å; F390-Y679 HydrophobicContact CB-CE1 3.69Å; F390-Y679 HydrophobicContact CG-CD1 4.33Å; F390-Y679 HydrophobicContact CG-CE1 4.37Å; S675-Y679 WeakPolarHBondContact O-CD2 3.16Å; S675-Y679 WeakPolarHBondContact O-CE2 3.33Å; I676-Y679 WeakPolarHBondContact O-CB 3.28Å; I676-Y679 PolarHBondContact O-N 3.48Å; I677-Y679 PolarHBondContact O-N 3.1Å; Y679-L681 VanDerWaalsContact C-N 3.3Å; Y679-L681 PolarHBondContact O-N 3.44Å; Y679-K682 CarbonylContact O-C 3.55Å; Y679-K682 WeakPolarHBondContact O-CA 3.46Å; Y679-K682 WeakPolarHBondContact O-CB 3.47Å; Y679-K682 PolarHBondContact O-N 2.95Å; Y679-M683 WeakPolarHBondContact O-CG 3.4Å; Y679-M683 PolarHBondContact O-N 3.48Å
680	I	83.3	Confident	68.2	Low	4 Å²	4	66.6 Å²	66.6	2%	0.021	36%	0.359	C	S	.	.	H	α-helix	trans	-57.4	-44.4	174.3	-60.6	169.4	0	0	0	110.8	L471 F472 M475 I676 I677 K682 M683	L471-I680 HydrophobicContact CD2-CD1 4.19Å; F472-I680 HydrophobicContact CD1-CG2 3.72Å; F472-I680 HydrophobicContact CE1-CB 4.36Å; F472-I680 HydrophobicContact CE1-CG1 4.01Å; F472-I680 HydrophobicContact CE1-CG2 3.87Å; F472-I680 HydrophobicContact CE2-CD1 4.35Å; F472-I680 HydrophobicContact CE2-CG1 4.29Å; F472-I680 HydrophobicContact CG-CG2 4.26Å; F472-I680 HydrophobicContact CZ-CD1 4.43Å; F472-I680 HydrophobicContact CZ-CG1 3.87Å; M475-I680 HydrophobicContact CB-CG2 3.55Å; M475-I680 HydrophobicContact CG-CB 4.46Å; M475-I680 HydrophobicContact CG-CD1 4.46Å; M475-I680 HydrophobicContact CG-CG2 3.76Å; I676-I680 HydrophobicContact CG2-CD1 3.87Å; I676-I680 HydrophobicContact CG2-CG1 3.98Å; I676-I680 PolarHBondContact O-N 3.03Å; I676-I680 VanDerWaalsContact O-N 3.13Å; I677-I680 PolarHBondContact O-N 3.08Å; I680-K682 PolarHBondContact O-N 3.45Å; I680-M683 PolarHBondContact O-N 2.92Å; I680-M683 VanDerWaalsContact O-N 3.15Å
681	L	81.3	Confident	66.7	Low	8 Å²	8	66 Å²	66	4%	0.042	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-19.7	177.3	-69.2	174.4	0	0	0	113.8	M475 R479 V496 I677 Y679	M475-L681 HydrophobicContact CB-CD2 4.39Å; R479-L681 HydrophobicContact CB-CD2 4.43Å; R479-L681 VanDerWaalsContact CD-O 3.27Å; R479-L681 WeakPolarHBondContact CD-O 3.29Å; V496-L681 HydrophobicContact CB-CD1 4.18Å; V496-L681 HydrophobicContact CG1-CD1 4.35Å; V496-L681 HydrophobicContact CG2-CD1 4.26Å; V496-L681 HydrophobicContact CG2-CD2 4.48Å; I677-L681 HydrophobicContact CG2-CD1 3.81Å; I677-L681 HydrophobicContact CG2-CG 4.34Å; I677-L681 WeakPolarHBondContact O-CG 3.41Å; I677-L681 PolarHBondContact O-N 2.97Å; Y679-L681 VanDerWaalsContact C-N 3.3Å; Y679-L681 PolarHBondContact O-N 3.44Å
682	K	78.1	Confident	64.6	Low	146 Å²	146	69.2 Å²	69.2	64%	0.635	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-15.8	174.6	-74.6	175.4	-179.7	-177	0	113.7	P678 Y679 I680	P678-K682 WeakPolarHBondContact O-CD 3.17Å; P678-K682 VanDerWaalsContact O-CG 3.27Å; P678-K682 WeakPolarHBondContact O-CG 3.39Å; Y679-K682 CarbonylContact O-C 3.55Å; Y679-K682 WeakPolarHBondContact O-CA 3.46Å; Y679-K682 WeakPolarHBondContact O-CB 3.47Å; Y679-K682 PolarHBondContact O-N 2.95Å; I680-K682 PolarHBondContact O-N 3.45Å
683	M	76.8	Confident	62.1	Low	84 Å²	84	72.2 Å²	72.2	41%	0.414	39%	0.387	S	S	.	.	S	Bend	trans	-71.5	141.2	179.7	-74.6	176	68.6	0	0	111.3	F472 H476 R479 Y679 I680	F472-M683 HydrophobicContact CE1-CE 3.98Å; F472-M683 HydrophobicContact CE1-SD 3.74Å; F472-M683 HydrophobicContact CZ-CE 4.39Å; F472-M683 HydrophobicContact CZ-SD 4.07Å; H476-M683 PolarHBondContact CE1-O 3.23Å; R479-M683 PolarHBondContact NH2-O 3.48Å; Y679-M683 WeakPolarHBondContact O-CG 3.4Å; Y679-M683 PolarHBondContact O-N 3.48Å; I680-M683 PolarHBondContact O-N 2.92Å; I680-M683 VanDerWaalsContact O-N 3.15Å
684	E	59.5	Low	59.5	Low	128 Å²	128	79.5 Å²	79.5	60%	0.598	43%	0.426	S	S	*	.			trans	-78.1	147.2	177.1	-70.8	-175.1	-151	0	0	111.3	N398 A686	N398-E684 PolarHBondContact ND2-OE1 2.98Å; E684-A686 PolarHBondContact O-N 2.82Å; E684-A686 VanDerWaalsContact O-N 3.17Å
685	T	55	Low	57	Low	60 Å²	60	81.9 Å²	81.9	37%	0.368	45%	0.447	S	S	.	.	S	Bend	trans	-78.5	8.2	-174.1	8	0	0	0	0	113.7	H476 R479 E687	H476-T685 HydrophobicContact CB-CG2 4.24Å; R479-T685 PolarHBondContact NH2-OG1 3.43Å; R479-T685 VanDerWaalsContact NH2-OG1 3.11Å; T685-E687 VanDerWaalsContact C-N 3.34Å; T685-E687 PolarHBondContact O-N 2.83Å
686	A	42.8	Very low	54.5	Low	76 Å²	76	85.7 Å²	85.7	63%	0.628	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-22.1	-161.1	0	0	0	0	0	115.4	E684	E684-A686 PolarHBondContact O-N 2.82Å; E684-A686 VanDerWaalsContact O-N 3.17Å
687	E	38.6	Very low	51.8	Low	122 Å²	122	97.4 Å²	97.4	57%	0.57	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-3	-172.9	-61	-169.8	144	0	0	114.9	T685	T685-E687 VanDerWaalsContact C-N 3.34Å; T685-E687 PolarHBondContact O-N 2.83Å
688	Y	41.4	Very low	50.1	Low	80 Å²	80	102.3 Å²	102.3	31%	0.314	55%	0.549	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-26.5	-172.8	-151.9	-96.5	0	0	0	115.4
689	N	35.4	Very low	48.4	Very low	120 Å²	120	106.5 Å²	106.5	64%	0.642	57%	0.57	S	S	*	*	S	Bend	trans	-94.2	-4.4	-175.9	-73.5	-2.6	0	0	0	114.2	Q691	N689-Q691 PolarHBondContact O-N 2.99Å; N689-Q691 VanDerWaalsContact O-N 3.13Å
690	S	31.6	Very low	46.5	Very low	81 Å²	81	109.1 Å²	109.1	57%	0.566	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.2	11.7	-172.8	43.2	0	0	0	0	115.3
691	Q	33.8	Very low	44.4	Very low	157 Å²	157	115.2 Å²	115.2	73%	0.734	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.7	-10.2	177.6	-65.3	-165.2	-46.2	0	0	114.9	N689	N689-Q691 PolarHBondContact O-N 2.99Å; N689-Q691 VanDerWaalsContact O-N 3.13Å
692	D	31.4	Very low	42.1	Very low	123 Å²	123	121.9 Å²	121.9	66%	0.658	66%	0.658	S	S	*	*	S	Bend	trans	-93.6	10.2	-176.3	-117.5	15.5	0	0	0	112.6	K447	K447-D692 IonicContact NZ-OD1 3.24Å; K447-D692 IonicContact NZ-OD2 2.7Å; K447-D692 PolarHBondContact NZ-OD2 3.14Å
693	S	28.4	Very low	39.7	Very low	103 Å²	103	120.3 Å²	120.3	72%	0.72	66%	0.66	S	S	*	*	S	Bend	trans	-123.1	11.4	-170.9	71.5	0	0	0	0	116.7
694	D	30.6	Very low	37	Very low	155 Å²	155	122.9 Å²	122.9	83%	0.829	68%	0.677	S	S	*	*			trans	-129.5	76.3	-179	-157.5	7.8	0	0	0	111.8
695	S	30.6	Very low	35.3	Very low	106 Å²	106	122.5 Å²	122.5	74%	0.741	68%	0.683	S	S	*	*			trans	-160.9	38	174.6	49.3	0	0	0	0	113.4
696	T	31.5	Very low	33.7	Very low	136 Å²	136	127.8 Å²	127.8	83%	0.834	71%	0.71	S	S	*	*			trans	-148.6	51.3	174.2	-21.4	0	0	0	0	115.7
697	E	27.8	Very low	32.8	Very low	274 Å²	274	132.5 Å²	132.5	100%	1.28	72%	0.717	S	S	*	*			trans	-129.2	0	152.5	-70.7	-155.5	139	0	0	110.3

Retrieved 697 of 697 residues in 771.3 ms (Link to these results)

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