Q99NC2_MOUSE Loading...

Melanoma-associated antigen D1

AlphaFold DB , UniProt , Accession Q99NC2, Species MOUSE (Mus musculus, Mouse), Gene Tro, Length 804 aa.

						>Q99NC2_MOUSE|Q99NC2|Tro
MSQLIPWPQQLSTNPRKLLRGTGAANKTVPSAAEISLASAATHTATTQGQAAKETGSIQTIAATARSKKNSKGKRTPAKTTNTDNEYVEASNAIEASSRQIGASGRQTEASNRQIEASSRQTEAFNRQIEASSRQIEASSRQTETSYQQIGASNRQIMASNRQIGASNRQIEASNRQIGASNRQTEVSSRQIEASNRQIGASNRQTEASNRQIGASNRQTEASNRQIGASNRQTDASNRQTEASSRQTEASSRQTEASSRQTEASSRQIEASAAAVRPKKPRGKKGNNKGSNSASEPSEAPPAIQTVTNHALSVTVRIRRGSRARKAANKNRATESQAQIAEQGAQASEASISALETQVAAAVQALADDYLAQLSLEPTTRTRGKRNRKSKHPNGEERTGNNYRRIPWGRRLPPPRDVAILQERANKLVKYLLVKDQTKIPIKRSDMLKDVIQEYEDYFPEIIERASYALEKMFRVNLKEIDKQNNLYILISTQESSAGIMGTTKDTPKLGLLMVILSVIFMNGNKASEAVIWEVLRKLGLHPGVKHSLFGEVKKLITDEFVKQKYLEYKRVPNSRPPEYEFFWGLRSYHETSKMKVLKFACKVQKKDPKDWAAQYREAVEMDIQAAAVAVAEAKARAEARAQMGIGEEAVAGPWNWDDMDINCLTSGGPSTGAGFCSGPSTGGFGGGPSTGPGFGGPSTGPGFGGPSTGGGFGGPNTGGGFGGPSTGGGFGGPSTGGGFGGPSTGGGFGGPSTAAGFGSGLSTSTGFGGGLNTSAGFSGGPPSTGTGFGGGASSHGGCGFPYG
					

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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	33.6	Very low	34.1	Very low	233 Å²	233	164.1 Å²	164.1	100%	1.148	83%	0.834	S	S	*	*				0	72.2	0	-63.7	171.1	-179.1	0	0	106.3
2	S	32.1	Very low	34.3	Very low	109 Å²	109	160.1 Å²	160.1	76%	0.762	83%	0.832	S	S	*	*				80.9	130.9	50.8	-50.7	0	0	0	0	111.3
3	Q	35.1	Very low	33.8	Very low	172 Å²	172	156.2 Å²	156.2	80%	0.804	82%	0.82	S	S	*	*			cis	-151.5	160.4	-13.7	-90.6	169.1	-0.3	0	0	104.6
4	L	29.5	Very low	33.2	Very low	141 Å²	141	153 Å²	153	74%	0.738	80%	0.804	S	S	*	*				-161.8	145.5	50.7	-93.3	95.3	0	0	0	111.6
5	I	30.4	Very low	33	Very low	155 Å²	155	151.6 Å²	151.6	80%	0.795	81%	0.807	S	S	*	*				45.9	141.5	127.1	-52.6	-173.5	0	0	0	121.4
6	P	58.4	Low	32.8	Very low	108 Å²	108	154.4 Å²	154.4	70%	0.701	80%	0.803	S	S	*	*			trans	-124.4	-166	-158.8	38.4	-18.1	0	0	0	117.1
7	W	25.5	Very low	32.8	Very low	239 Å²	239	154.9 Å²	154.9	91%	0.905	80%	0.798	S	S	*	*			trans	83.5	152.8	175.2	-79.1	51.5	0	0	0	117.9
8	P	46	Very low	32.7	Very low	111 Å²	111	152.8 Å²	152.8	72%	0.721	79%	0.787	S	S	*	*			cis	-134.8	-169	-44.5	42.1	-26.5	0	0	0	112.6
9	Q	32.3	Very low	32.5	Very low	189 Å²	189	152.5 Å²	152.5	88%	0.883	79%	0.786	S	S	*	*			trans	-86.6	168.6	177.3	-74.4	-175	-44	0	0	114.9
10	Q	28.8	Very low	32.1	Very low	183 Å²	183	155.9 Å²	155.9	86%	0.855	79%	0.789	S	S	*	*			trans	83.3	118.2	153.1	-161.3	-178.8	35.3	0	0	118.6
11	L	23.3	Very low	31.8	Very low	165 Å²	165	151.8 Å²	151.8	86%	0.864	79%	0.786	S	S	*	*				-174.5	152.1	126.9	-101.4	163.5	0	0	0	111.8
12	S	36.3	Very low	31.5	Very low	116 Å²	116	147.7 Å²	147.7	81%	0.811	77%	0.774	S	S	*	*			trans	-111.8	131.7	177.6	174.9	0	0	0	0	110.5
13	T	27.6	Very low	31.2	Very low	109 Å²	109	146.2 Å²	146.2	67%	0.669	78%	0.776	S	S	*	*			trans	-151	124.9	178.5	50.7	0	0	0	0	115.9
14	N	25.3	Very low	30.8	Very low	112 Å²	112	143.5 Å²	143.5	60%	0.599	78%	0.783	S	S	*	*			trans	69.2	154.5	135.8	-66.7	-51.6	0	0	0	119.8
15	P	31.3	Very low	30.8	Very low	132 Å²	132	141.8 Å²	141.8	86%	0.857	79%	0.789	S	S	*	*				-107.9	159.5	84.9	32.8	-36.4	0	0	0	116.6
16	R	29	Very low	30.9	Very low	197 Å²	197	141.8 Å²	141.8	74%	0.743	79%	0.791	S	S	*	*			trans	-134.1	167.8	176.6	-100.7	179.7	165.9	-168.5	-2.4	105.9
17	K	33.2	Very low	29.4	Very low	162 Å²	162	145.7 Å²	145.7	70%	0.704	80%	0.797	S	S	*	*			cis	-155	177.6	7.7	-114	178.2	169.9	-179.7	0	104.1
18	L	30.7	Very low	29.5	Very low	117 Å²	117	140.1 Å²	140.1	61%	0.613	79%	0.789	S	S	*	*			cis	-150.6	-163.8	0	-118.4	172.4	0	0	0	103.7
19	L	28.7	Very low	28.6	Very low	147 Å²	147	141.4 Å²	141.4	77%	0.77	80%	0.795	S	S	*	*			cis	-136.5	171.9	-0.7	-87.1	98.8	0	0	0	106.9
20	R	26	Very low	28.6	Very low	220 Å²	220	138 Å²	138	83%	0.83	79%	0.789	S	S	*	*			cis	-170.2	121.6	-34.5	172.8	-164.7	-87	-127.9	5.4	105.1
21	G	25.1	Very low	28.5	Very low	71 Å²	71	135.2 Å²	135.2	73%	0.732	79%	0.79	S	S	*	*			trans	-175.5	127	175	0	0	0	0	0	112.6
22	T	27.1	Very low	28.9	Very low	146 Å²	146	131.9 Å²	131.9	90%	0.896	79%	0.786	S	S	*	*			trans	-35.8	137.6	171.6	47	0	0	0	0	114
23	G	25.4	Very low	28.4	Very low	78 Å²	78	130.8 Å²	130.8	80%	0.804	78%	0.784	S	S	*	*			cis	103	133.5	35.9	0	0	0	0	0	108.9
24	A	27.2	Very low	28.3	Very low	115 Å²	115	134.3 Å²	134.3	95%	0.95	79%	0.793	S	S	*	*			cis	-134.1	-155.9	11.8	0	0	0	0	0	113
25	A	28.3	Very low	28.3	Very low	105 Å²	105	136.1 Å²	136.1	87%	0.868	80%	0.801	S	S	*	*			trans	-101.2	162	-157	0	0	0	0	0	117
26	N	33	Very low	28.1	Very low	155 Å²	155	135.3 Å²	135.3	83%	0.829	80%	0.799	S	S	*	*			trans	-93	142.1	178.3	176.8	10.6	0	0	0	111.9
27	K	27.9	Very low	27.8	Very low	190 Å²	190	134.5 Å²	134.5	83%	0.826	81%	0.808	S	S	*	*			trans	-163.9	128.2	158.2	-114.6	173.7	-175.5	-177.5	0	114.4
28	T	27	Very low	27.4	Very low	122 Å²	122	130.5 Å²	130.5	75%	0.748	81%	0.805	S	S	*	*			trans	36.9	127.4	144.3	-38.6	0	0	0	0	121.4
29	V	27.1	Very low	27.2	Very low	139 Å²	139	129.7 Å²	129.7	84%	0.842	81%	0.809	S	S	*	*			trans	-118	129	171.3	178.7	0	0	0	0	111.4
30	P	33.1	Very low	27	Very low	117 Å²	117	128.1 Å²	128.1	76%	0.76	82%	0.817	S	S	*	*			trans	-107.4	-167.3	166.7	39.6	-31.3	0	0	0	112.9
31	S	25.7	Very low	27	Very low	124 Å²	124	121.5 Å²	121.5	87%	0.867	81%	0.81	S	S	*	*			trans	-61.6	163.4	-169.6	-162.3	0	0	0	0	116.7
32	A	31.9	Very low	27	Very low	96 Å²	96	123.9 Å²	123.9	79%	0.793	81%	0.811	S	S	*	*			trans	-79.3	149.5	-171.8	0	0	0	0	0	116.2
33	A	26.8	Very low	27	Very low	92 Å²	92	125.1 Å²	125.1	76%	0.76	81%	0.806	S	S	*	*			trans	-166.4	135.6	142.3	0	0	0	0	0	111.8
34	E	24.9	Very low	27.1	Very low	183 Å²	183	128.6 Å²	128.6	86%	0.855	81%	0.812	S	S	*	*			trans	57.5	171.4	155	-60	-162.4	130.9	0	0	122.7
35	I	26.1	Very low	27	Very low	151 Å²	151	127.2 Å²	127.2	77%	0.774	80%	0.8	S	S	*	*			trans	67.4	92.6	171.1	-51.3	-177.3	0	0	0	114.5
36	S	25.5	Very low	26.9	Very low	115 Å²	115	128.5 Å²	128.5	80%	0.804	80%	0.797	S	S	*	*				60	109.5	75.2	-62	0	0	0	0	114.8
37	L	23.9	Very low	26.7	Very low	179 Å²	179	127.1 Å²	127.1	94%	0.937	80%	0.795	S	S	*	*			trans	-140.9	125.4	162.2	-128.4	171.3	0	0	0	109.5
38	A	24.3	Very low	26.8	Very low	78 Å²	78	127.7 Å²	127.7	65%	0.645	80%	0.8	S	S	*	*			trans	-101.8	173.6	-175.3	0	0	0	0	0	112.2
39	S	25.2	Very low	27	Very low	100 Å²	100	124.2 Å²	124.2	70%	0.699	79%	0.789	S	S	*	*			trans	53	97.8	157.9	59	0	0	0	0	118.1
40	A	25.5	Very low	27	Very low	114 Å²	114	126.3 Å²	126.3	94%	0.942	79%	0.79	S	S	*	*				-88.2	116	120.1	0	0	0	0	0	106.6
41	A	26	Very low	26.8	Very low	82 Å²	82	126.2 Å²	126.2	68%	0.678	80%	0.799	S	S	*	*			trans	-126.8	112.6	-170.5	0	0	0	0	0	112.5
42	T	25	Very low	27.2	Very low	121 Å²	121	123.6 Å²	123.6	74%	0.742	78%	0.784	S	S	*	*			trans	-160	119.1	168.2	32.6	0	0	0	0	107.9
43	H	28	Very low	27.5	Very low	171 Å²	171	128.3 Å²	128.3	79%	0.792	79%	0.787	S	S	*	*			cis	-135.9	136.8	-11	-72.2	-98.2	0	0	0	109.7
44	T	26.1	Very low	27.7	Very low	152 Å²	152	133.1 Å²	133.1	93%	0.933	79%	0.794	S	S	*	*			trans	-107.5	102.4	158.9	49.2	0	0	0	0	108.5
45	A	25.5	Very low	28.3	Very low	86 Å²	86	131.5 Å²	131.5	71%	0.711	80%	0.796	S	S	*	*			trans	-124.5	103.1	176.7	0	0	0	0	0	110.1
46	T	27.2	Very low	29.1	Very low	131 Å²	131	127.2 Å²	127.2	80%	0.804	79%	0.79	S	S	*	*			trans	10.4	114.3	153.3	-49.4	0	0	0	0	118.1
47	T	27.7	Very low	29.6	Very low	127 Å²	127	127.2 Å²	127.2	78%	0.779	79%	0.79	S	S	*	*			trans	-143.8	96	134.8	-67.1	0	0	0	0	109.1	G49	T47-G49 PolarHBondContact O-N 3.49Å
48	Q	30.2	Very low	30.2	Very low	201 Å²	201	126.7 Å²	126.7	94%	0.939	79%	0.786	S	S	*	*			trans	-70.5	109.2	149.4	-85.1	-177.7	-53.5	0	0	106.6
49	G	30.5	Very low	31	Very low	50 Å²	50	132.3 Å²	132.3	52%	0.515	80%	0.799	S	S	.	*			trans	-178	140.2	-179.6	0	0	0	0	0	110	T47	T47-G49 PolarHBondContact O-N 3.49Å
50	Q	27.9	Very low	31.4	Very low	183 Å²	183	133.7 Å²	133.7	86%	0.855	80%	0.803	S	S	*	*			trans	59.8	48.7	179	-59.7	-174.5	-12.1	0	0	115.7	A52	Q50-A52 PolarHBondContact O-N 3.31Å
51	A	28.6	Very low	31.9	Very low	115 Å²	115	136.7 Å²	136.7	95%	0.95	80%	0.802	S	S	*	*			trans	-70.2	62.1	142.5	0	0	0	0	0	109.9
52	A	35.3	Very low	32.3	Very low	68 Å²	68	137.7 Å²	137.7	56%	0.562	81%	0.81	S	S	*	*			trans	-162.1	116	180	0	0	0	0	0	110.6	Q50	Q50-A52 PolarHBondContact O-N 3.31Å
53	K	37	Very low	32.8	Very low	195 Å²	195	136.5 Å²	136.5	85%	0.848	81%	0.812	S	S	*	*	S	Bend	trans	67.6	125.5	-159.3	-46.5	169.2	-175.8	177.6	0	109.9
54	E	30.8	Very low	32.9	Very low	193 Å²	193	135.7 Å²	135.7	90%	0.902	82%	0.82	S	S	*	*			cis	-123.6	56.1	24.7	-61.2	-178.3	113.1	0	0	114.6	G56	E54-G56 PolarHBondContact O-N 2.73Å
55	T	37.8	Very low	33.2	Very low	149 Å²	149	133.4 Å²	133.4	91%	0.914	82%	0.817	S	S	*	*			trans	-72.5	75.2	161.1	51.5	0	0	0	0	109.7
56	G	43.4	Very low	33.9	Very low	62 Å²	62	141.4 Å²	141.4	64%	0.639	83%	0.828	S	S	*	*			trans	-154.4	23.5	-156.3	0	0	0	0	0	120.4	E54	E54-G56 PolarHBondContact O-N 2.73Å
57	S	36.2	Very low	34	Very low	114 Å²	114	140.6 Å²	140.6	80%	0.797	83%	0.828	S	S	*	*	S	Bend	trans	-156.6	6.1	167.2	-98	0	0	0	0	119.7
58	I	36	Very low	34.1	Very low	169 Å²	169	143.7 Å²	143.7	87%	0.867	83%	0.83	S	S	*	*	S	Bend	trans	-128.8	45.7	179.7	-37.1	-178	0	0	0	113.1
59	Q	40.2	Very low	34.3	Very low	195 Å²	195	144.1 Å²	144.1	91%	0.911	83%	0.829	S	S	*	*	S	Bend	trans	-146.2	43.9	165	-77.3	-156.5	-14	0	0	113.3
60	T	34.5	Very low	34.4	Very low	129 Å²	129	149.3 Å²	149.3	79%	0.791	85%	0.845	S	S	*	*			trans	-138.7	30.9	-175.5	-23.9	0	0	0	0	116.5
61	I	35.7	Very low	34.5	Very low	178 Å²	178	146.4 Å²	146.4	91%	0.913	85%	0.845	S	S	*	*	S	Bend	trans	-134	53.7	167.7	-40.9	179.5	0	0	0	111.2
62	A	35.6	Very low	34.7	Very low	102 Å²	102	150.8 Å²	150.8	84%	0.843	84%	0.843	S	S	*	*	S	Bend	trans	-146.8	1	179.3	0	0	0	0	0	116.6
63	A	34.7	Very low	34.8	Very low	96 Å²	96	151.2 Å²	151.2	79%	0.793	85%	0.854	S	S	*	*			trans	-162.1	101.3	173.5	0	0	0	0	0	114.4
64	T	31.3	Very low	34.6	Very low	154 Å²	154	151.4 Å²	151.4	95%	0.945	86%	0.855	S	S	*	*			trans	-163.9	80.4	143.4	-68.2	0	0	0	0	109
65	A	31.4	Very low	34.6	Very low	105 Å²	105	153.5 Å²	153.5	87%	0.868	85%	0.854	S	S	*	*			trans	-154.8	30	175.4	0	0	0	0	0	113.5
66	R	40.5	Very low	34.5	Very low	253 Å²	253	152.8 Å²	152.8	96%	0.955	85%	0.85	S	S	*	*			trans	-143.1	64.7	-179.8	-156.3	174.9	-170.2	178.9	3.3	114
67	S	29.6	Very low	34.7	Very low	114 Å²	114	155.7 Å²	155.7	80%	0.797	86%	0.858	S	S	*	*			trans	-100.8	109.9	167.9	-163.6	0	0	0	0	111.9
68	K	29.8	Very low	34.8	Very low	192 Å²	192	154.9 Å²	154.9	84%	0.835	86%	0.858	S	S	*	*			trans	26.3	94.3	150.2	-62.5	173.4	-179.5	173.8	0	118.3	N70	K68-N70 PolarHBondContact O-N 2.85Å; K68-N70 VanDerWaalsContact O-N 3.12Å
69	K	33.9	Very low	34.8	Very low	211 Å²	211	156.4 Å²	156.4	92%	0.917	86%	0.859	S	S	*	*			trans	-68.2	94.9	140.7	-81.9	-171.8	175.7	-177.4	0	108.6
70	N	33	Very low	34.9	Very low	159 Å²	159	153 Å²	153	85%	0.85	85%	0.851	S	S	*	*			trans	-178.1	106.3	149.1	-103.5	-15	0	0	0	112.5	K68	K68-N70 PolarHBondContact O-N 2.85Å; K68-N70 VanDerWaalsContact O-N 3.12Å
71	S	30	Very low	35.3	Very low	122 Å²	122	152.8 Å²	152.8	85%	0.853	85%	0.85	S	S	*	*			trans	-141.6	145.6	146.7	61.6	0	0	0	0	108.1
72	K	32.8	Very low	35.7	Very low	206 Å²	206	150.2 Å²	150.2	90%	0.896	84%	0.838	S	S	*	*			trans	-85.8	134	-175.3	-67.4	172	178.4	174.1	0	109.5
73	G	36.4	Very low	36.4	Very low	78 Å²	78	150 Å²	150	80%	0.804	83%	0.826	S	S	*	*			trans	-69.6	136.8	170	0	0	0	0	0	111.8
74	K	33.3	Very low	37.2	Very low	198 Å²	198	151.4 Å²	151.4	86%	0.861	82%	0.821	S	S	*	*			trans	-158.4	131.5	155.5	-132	179.9	-175.6	179.8	0	112.9
75	R	29.9	Very low	38.3	Very low	237 Å²	237	149 Å²	149	89%	0.894	80%	0.802	S	S	*	*			trans	81.6	149	164.8	-50.9	-173.8	78.5	158.3	2.7	117.9
76	T	36.3	Very low	39.4	Very low	134 Å²	134	150.8 Å²	150.8	82%	0.822	79%	0.792	S	S	*	*			trans	-102.5	-179.8	-171.2	43	0	0	0	0	109.9
77	P	47.5	Very low	40.1	Very low	124 Å²	124	147.6 Å²	147.6	81%	0.805	78%	0.781	S	S	*	*			cis	-130.4	178.3	11.3	41.9	-24.8	0	0	0	116.2
78	A	39.2	Very low	41.7	Very low	97 Å²	97	146.1 Å²	146.1	80%	0.802	77%	0.767	S	S	*	*			trans	-86.1	156.3	179.5	0	0	0	0	0	113.5
79	K	34.9	Very low	43.1	Very low	201 Å²	201	142.9 Å²	142.9	87%	0.874	76%	0.755	S	S	*	*			trans	-154.1	114.2	137.4	-148.7	169	-175	179	0	113.2
80	T	43.2	Very low	44.6	Very low	122 Å²	122	135.1 Å²	135.1	75%	0.748	73%	0.73	S	S	*	*			trans	22.8	118.6	143.4	-43.9	0	0	0	0	120.6
81	T	42.3	Very low	46.3	Very low	125 Å²	125	130.6 Å²	130.6	77%	0.767	71%	0.711	S	S	*	*				-171.3	148.9	121	25.8	0	0	0	0	112.7
82	N	44.5	Very low	48.3	Very low	124 Å²	124	129.3 Å²	129.3	66%	0.663	70%	0.695	S	S	*	*			trans	51.8	90.6	159.5	-61.9	6.7	0	0	0	120.1
83	T	50.2	Low	50.1	Low	98 Å²	98	122 Å²	122	60%	0.601	67%	0.673	S	S	*	*	H	α-helix	trans	-73.8	-21.8	166.9	41.5	0	0	0	0	114.9	E86	T83-E86 PolarHBondContact O-N 2.87Å
84	D	51.8	Low	51.8	Low	126 Å²	126	123.7 Å²	123.7	67%	0.674	66%	0.663	S	S	*	*	H	α-helix	trans	-84	-26.9	-163.6	-54	-13.3	0	0	0	112.5
85	N	54.2	Low	53.8	Low	102 Å²	102	118.8 Å²	118.8	55%	0.545	64%	0.643	S	S	.	*	H	α-helix	trans	-67.8	-41.2	170.3	-100.1	44.6	0	0	0	111.6	Y87 V88 E89	N85-Y87 VanDerWaalsContact C-N 3.26Å; N85-Y87 PolarHBondContact O-N 3.19Å; N85-V88 PolarHBondContact O-N 2.74Å; N85-V88 VanDerWaalsContact O-N 3.11Å; N85-E89 PolarHBondContact O-N 2.75Å
86	E	54.6	Low	55.8	Low	144 Å²	144	110.1 Å²	110.1	67%	0.673	62%	0.622	S	S	*	*	H	α-helix	trans	-60.1	-37	-176.1	-122.1	-177.7	166	0	0	111.7	T83 A90	T83-E86 PolarHBondContact O-N 2.87Å; E86-A90 WeakPolarHBondContact O-CB 3.41Å; E86-A90 PolarHBondContact O-N 2.9Å
87	Y	55.4	Low	57.8	Low	185 Å²	185	106.6 Å²	106.6	73%	0.725	60%	0.603	S	S	*	*	H	α-helix	trans	-70	-35.8	177	-118	-86.9	0	0	0	113.3	N85 S91	N85-Y87 VanDerWaalsContact C-N 3.26Å; N85-Y87 PolarHBondContact O-N 3.19Å; Y87-S91 VanDerWaalsContact O-CB 3.31Å; Y87-S91 WeakPolarHBondContact O-CB 3.24Å; Y87-S91 PolarHBondContact O-N 2.81Å; Y87-S91 PolarHBondContact O-OG 2.84Å
88	V	61.4	Low	59.2	Low	83 Å²	83	104 Å²	104	50%	0.503	59%	0.587	S	S	.	*	H	α-helix	trans	-74	-42.9	177	176.3	0	0	0	0	110.6	N85 S91 N92	N85-V88 PolarHBondContact O-N 2.74Å; N85-V88 VanDerWaalsContact O-N 3.11Å; V88-S91 PolarHBondContact O-N 3.35Å; V88-N92 WeakPolarHBondContact O-CB 3.33Å; V88-N92 VanDerWaalsContact O-CG 3.23Å; V88-N92 PolarHBondContact O-N 2.76Å; V88-N92 PolarHBondContact O-ND2 2.76Å
89	E	61.2	Low	61	Low	124 Å²	124	107.5 Å²	107.5	58%	0.579	58%	0.58	S	S	*	*	H	α-helix	trans	-64.1	-42.5	174.8	-71.5	-175.5	167.5	0	0	111.8	N85 N92 A93	N85-E89 PolarHBondContact O-N 2.75Å; E89-N92 PolarHBondContact O-N 3.27Å; E89-A93 VanDerWaalsContact O-CB 3.28Å; E89-A93 WeakPolarHBondContact O-CB 3.46Å; E89-A93 PolarHBondContact O-N 3.28Å
90	A	63.5	Low	63	Low	48 Å²	48	104.7 Å²	104.7	40%	0.397	57%	0.57	S	S	.	*	H	α-helix	trans	-61.8	-43.2	173.4	0	0	0	0	0	112.3	E86 A93 I94	E86-A90 WeakPolarHBondContact O-CB 3.41Å; E86-A90 PolarHBondContact O-N 2.9Å; A90-A93 PolarHBondContact O-N 3.47Å; A90-I94 VanDerWaalsContact O-CG1 3.27Å; A90-I94 WeakPolarHBondContact O-CG1 3.24Å; A90-I94 PolarHBondContact O-N 3.38Å
91	S	68.8	Low	64.7	Low	64 Å²	64	104.8 Å²	104.8	45%	0.448	56%	0.564	S	S	.	*	H	α-helix	trans	-63.9	-45	177.6	-60.4	0	0	0	0	111.7	Y87 V88 A93 I94 E95	Y87-S91 VanDerWaalsContact O-CB 3.31Å; Y87-S91 WeakPolarHBondContact O-CB 3.24Å; Y87-S91 PolarHBondContact O-N 2.81Å; Y87-S91 PolarHBondContact O-OG 2.84Å; V88-S91 PolarHBondContact O-N 3.35Å; S91-A93 VanDerWaalsContact C-N 3.33Å; S91-A93 PolarHBondContact O-N 2.67Å; S91-I94 PolarHBondContact O-N 2.8Å; S91-E95 PolarHBondContact O-N 2.71Å
92	N	72.4	Confident	66.4	Low	95 Å²	95	100.2 Å²	100.2	51%	0.508	54%	0.543	S	S	.	.	H	α-helix	trans	-63.7	-36.8	175.1	-71.6	-25.7	0	0	0	112	V88 E89 E95 A96	V88-N92 WeakPolarHBondContact O-CB 3.33Å; V88-N92 VanDerWaalsContact O-CG 3.23Å; V88-N92 PolarHBondContact O-N 2.76Å; V88-N92 PolarHBondContact O-ND2 2.76Å; E89-N92 PolarHBondContact O-N 3.27Å; N92-E95 PolarHBondContact O-N 3.47Å; N92-A96 VanDerWaalsContact O-CB 3.23Å; N92-A96 WeakPolarHBondContact O-CB 3.36Å; N92-A96 PolarHBondContact O-N 3.27Å
93	A	70.5	Confident	68	Low	54 Å²	54	96.8 Å²	96.8	45%	0.446	53%	0.532	S	S	.	.	H	α-helix	trans	-69.4	-34.7	175.5	0	0	0	0	0	112.9	E89 A90 S91 S97	E89-A93 VanDerWaalsContact O-CB 3.28Å; E89-A93 WeakPolarHBondContact O-CB 3.46Å; E89-A93 PolarHBondContact O-N 3.28Å; A90-A93 PolarHBondContact O-N 3.47Å; S91-A93 VanDerWaalsContact C-N 3.33Å; S91-A93 PolarHBondContact O-N 2.67Å; A93-S97 WeakPolarHBondContact O-CB 3.48Å; A93-S97 PolarHBondContact O-N 2.83Å; A93-S97 PolarHBondContact O-OG 2.86Å
94	I	72.8	Confident	69.5	Low	113 Å²	113	95.2 Å²	95.2	58%	0.579	52%	0.524	S	S	*	.	H	α-helix	trans	-68.7	-42.6	172.7	-70.6	163.6	0	0	0	110.5	A90 S91 S97 S98	A90-I94 VanDerWaalsContact O-CG1 3.27Å; A90-I94 WeakPolarHBondContact O-CG1 3.24Å; A90-I94 PolarHBondContact O-N 3.38Å; S91-I94 PolarHBondContact O-N 2.8Å; I94-S97 PolarHBondContact O-N 2.66Å; I94-S98 WeakPolarHBondContact O-CB 3.24Å; I94-S98 PolarHBondContact O-N 3.45Å; I94-S98 PolarHBondContact O-OG 3.05Å
95	E	74.3	Confident	71.1	Confident	94 Å²	94	90.9 Å²	90.9	44%	0.439	51%	0.51	S	S	.	.	H	α-helix	trans	-67.7	-40.6	175.9	-153.8	-162.1	138.6	0	0	111.7	S91 N92 S98 R99	S91-E95 PolarHBondContact O-N 2.71Å; N92-E95 PolarHBondContact O-N 3.47Å; E95-S98 PolarHBondContact O-N 2.86Å; E95-R99 WeakPolarHBondContact O-CB 3.5Å; E95-R99 VanDerWaalsContact O-CG 3.31Å; E95-R99 WeakPolarHBondContact O-CG 3.28Å; E95-R99 PolarHBondContact O-N 2.83Å; E95-R99 IonicContact OE1-CZ 2.66Å; E95-R99 IonicContact OE1-NE 3.55Å; E95-R99 PolarHBondContact OE1-NE 3.4Å; E95-R99 IonicContact OE1-NH2 3.34Å; E95-R99 PolarHBondContact OE1-NH2 2.77Å
96	A	72.9	Confident	72.6	Confident	55 Å²	55	94.2 Å²	94.2	46%	0.455	52%	0.515	S	S	.	.	H	α-helix	trans	-60.9	-44.7	173.5	0	0	0	0	0	111.7	N92 S98 R99 Q100	N92-A96 VanDerWaalsContact O-CB 3.23Å; N92-A96 WeakPolarHBondContact O-CB 3.36Å; N92-A96 PolarHBondContact O-N 3.27Å; A96-S98 VanDerWaalsContact C-N 3.33Å; A96-S98 PolarHBondContact O-N 2.91Å; A96-R99 PolarHBondContact O-N 3.4Å; A96-Q100 WeakPolarHBondContact O-CB 3.26Å; A96-Q100 PolarHBondContact O-N 3.13Å
97	S	78.7	Confident	73.8	Confident	61 Å²	61	94 Å²	94	43%	0.427	51%	0.513	S	S	.	.	H	α-helix	trans	-61.1	-41.6	173.3	-63.3	0	0	0	0	111.7	A93 I94 Q100 I101	A93-S97 WeakPolarHBondContact O-CB 3.48Å; A93-S97 PolarHBondContact O-N 2.83Å; A93-S97 PolarHBondContact O-OG 2.86Å; I94-S97 PolarHBondContact O-N 2.66Å; S97-Q100 PolarHBondContact O-N 3.42Å; S97-I101 WeakPolarHBondContact O-CB 3.39Å; S97-I101 VanDerWaalsContact O-CG1 3.25Å; S97-I101 WeakPolarHBondContact O-CG1 3.23Å; S97-I101 PolarHBondContact O-N 3.4Å
98	S	75.4	Confident	75.2	Confident	69 Å²	69	88.8 Å²	88.8	48%	0.483	50%	0.501	S	S	.	.	H	α-helix	trans	-65.8	-40.6	178.1	-58.5	0	0	0	0	111.9	I94 E95 A96 I101 G102	I94-S98 WeakPolarHBondContact O-CB 3.24Å; I94-S98 PolarHBondContact O-N 3.45Å; I94-S98 PolarHBondContact O-OG 3.05Å; E95-S98 PolarHBondContact O-N 2.86Å; A96-S98 VanDerWaalsContact C-N 3.33Å; A96-S98 PolarHBondContact O-N 2.91Å; S98-I101 PolarHBondContact O-N 2.79Å; S98-G102 PolarHBondContact O-N 2.89Å
99	R	78.4	Confident	76.4	Confident	170 Å²	170	89.2 Å²	89.2	64%	0.642	50%	0.498	S	S	*	.	H	α-helix	trans	-64.9	-38.6	172.1	-72	172.1	178.8	-119.7	5.3	111.7	E95 A96 G102 A103	E95-R99 WeakPolarHBondContact O-CB 3.5Å; E95-R99 VanDerWaalsContact O-CG 3.31Å; E95-R99 WeakPolarHBondContact O-CG 3.28Å; E95-R99 PolarHBondContact O-N 2.83Å; E95-R99 IonicContact OE1-CZ 2.66Å; E95-R99 IonicContact OE1-NE 3.55Å; E95-R99 PolarHBondContact OE1-NE 3.4Å; E95-R99 IonicContact OE1-NH2 3.34Å; E95-R99 PolarHBondContact OE1-NH2 2.77Å; A96-R99 PolarHBondContact O-N 3.4Å; R99-G102 CarbonylContact O-C 3.53Å; R99-G102 PolarHBondContact O-N 2.95Å; R99-A103 WeakPolarHBondContact O-CB 3.19Å; R99-A103 PolarHBondContact O-N 2.83Å
100	Q	75.6	Confident	77.6	Confident	143 Å²	143	85.9 Å²	85.9	67%	0.668	49%	0.492	S	S	*	.	H	α-helix	trans	-69	-41.1	176.6	-173	175.7	-0.8	0	0	112.2	A96 S97 A103 S104	A96-Q100 WeakPolarHBondContact O-CB 3.26Å; A96-Q100 PolarHBondContact O-N 3.13Å; S97-Q100 PolarHBondContact O-N 3.42Å; Q100-A103 PolarHBondContact O-N 3.43Å; Q100-S104 WeakPolarHBondContact O-CB 3.15Å; Q100-S104 PolarHBondContact O-N 2.88Å
101	I	78.8	Confident	78.8	Confident	123 Å²	123	86.1 Å²	86.1	63%	0.631	49%	0.49	S	S	*	.	H	α-helix	trans	-62.2	-45.4	171.4	-69.3	162.7	0	0	0	109.9	S97 S98 A103 S104 G105	S97-I101 WeakPolarHBondContact O-CB 3.39Å; S97-I101 VanDerWaalsContact O-CG1 3.25Å; S97-I101 WeakPolarHBondContact O-CG1 3.23Å; S97-I101 PolarHBondContact O-N 3.4Å; S98-I101 PolarHBondContact O-N 2.79Å; I101-A103 PolarHBondContact O-N 3.12Å; I101-S104 PolarHBondContact O-N 2.65Å; I101-G105 PolarHBondContact O-N 2.87Å
102	G	79.3	Confident	79.8	Confident	30 Å²	30	88 Å²	88	31%	0.309	50%	0.495	S	S	.	.	H	α-helix	trans	-67.3	-18.7	175	0	0	0	0	0	114.7	S98 R99 R106	S98-G102 PolarHBondContact O-N 2.89Å; R99-G102 CarbonylContact O-C 3.53Å; R99-G102 PolarHBondContact O-N 2.95Å; G102-R106 PolarHBondContact O-NE 3.03Å; G102-R106 PolarHBondContact O-NH2 2.89Å
103	A	77.6	Confident	80.7	Confident	52 Å²	52	91 Å²	91	43%	0.43	50%	0.499	S	S	.	.	H	α-helix	trans	-82	-46.5	169	0	0	0	0	0	110.8	R99 Q100 I101 G105 R106 Q107	R99-A103 WeakPolarHBondContact O-CB 3.19Å; R99-A103 PolarHBondContact O-N 2.83Å; Q100-A103 PolarHBondContact O-N 3.43Å; I101-A103 PolarHBondContact O-N 3.12Å; A103-G105 PolarHBondContact O-N 3.35Å; A103-R106 PolarHBondContact O-N 2.82Å; A103-R106 VanDerWaalsContact O-N 3.15Å; A103-Q107 PolarHBondContact O-N 3.14Å
104	S	82	Confident	81.5	Confident	64 Å²	64	95 Å²	95	45%	0.448	51%	0.509	S	S	.	.	H	α-helix	trans	-59.1	-42.7	176.6	-174.7	0	0	0	0	112.3	Q100 I101 R106 Q107 T108	Q100-S104 WeakPolarHBondContact O-CB 3.15Å; Q100-S104 PolarHBondContact O-N 2.88Å; I101-S104 PolarHBondContact O-N 2.65Å; S104-R106 VanDerWaalsContact C-N 3.34Å; S104-R106 PolarHBondContact O-N 2.86Å; S104-Q107 WeakPolarHBondContact O-CB 3.18Å; S104-Q107 PolarHBondContact O-N 3.38Å; S104-Q107 VanDerWaalsContact O-N 3.11Å; S104-T108 PolarHBondContact O-N 3.48Å; S104-T108 PolarHBondContact O-OG1 2.93Å
105	G	84.9	Confident	82.3	Confident	36 Å²	36	94.8 Å²	94.8	37%	0.371	51%	0.508	S	S	.	.	H	α-helix	trans	-62.6	-35.4	175.2	0	0	0	0	0	113.8	I101 A103 T108 E109	I101-G105 PolarHBondContact O-N 2.87Å; A103-G105 PolarHBondContact O-N 3.35Å; G105-T108 WeakPolarHBondContact CA-OG1 3.45Å; G105-T108 PolarHBondContact O-OG1 2.88Å; G105-E109 WeakPolarHBondContact O-CB 3.4Å; G105-E109 PolarHBondContact O-N 3.31Å
106	R	85.8	Confident	83	Confident	172 Å²	172	95 Å²	95	65%	0.649	51%	0.509	S	S	*	.	H	α-helix	trans	-73.5	-30.5	172.9	-80.5	177.7	-76.3	-164.7	-2.9	112.4	G102 A103 S104 A110	G102-R106 PolarHBondContact O-NE 3.03Å; G102-R106 PolarHBondContact O-NH2 2.89Å; A103-R106 PolarHBondContact O-N 2.82Å; A103-R106 VanDerWaalsContact O-N 3.15Å; S104-R106 VanDerWaalsContact C-N 3.34Å; S104-R106 PolarHBondContact O-N 2.86Å; R106-A110 WeakPolarHBondContact O-CB 3.33Å; R106-A110 PolarHBondContact O-N 3.44Å
107	Q	81.1	Confident	83.8	Confident	138 Å²	138	94.7 Å²	94.7	65%	0.645	51%	0.506	S	S	*	.	H	α-helix	trans	-70.5	-42	173.2	-173.5	178.6	-9.3	0	0	112	A103 S104 A110 S111	A103-Q107 PolarHBondContact O-N 3.14Å; S104-Q107 WeakPolarHBondContact O-CB 3.18Å; S104-Q107 PolarHBondContact O-N 3.38Å; S104-Q107 VanDerWaalsContact O-N 3.11Å; Q107-A110 PolarHBondContact O-N 2.93Å; Q107-S111 PolarHBondContact O-N 2.69Å; Q107-S111 PolarHBondContact O-OG 3.49Å
108	T	84.1	Confident	84.3	Confident	77 Å²	77	94.4 Å²	94.4	47%	0.472	50%	0.504	S	S	.	.	H	α-helix	trans	-68.1	-37.3	174.7	54.8	0	0	0	0	111.8	S104 G105 S111 N112	S104-T108 PolarHBondContact O-N 3.48Å; S104-T108 PolarHBondContact O-OG1 2.93Å; G105-T108 WeakPolarHBondContact CA-OG1 3.45Å; G105-T108 PolarHBondContact O-OG1 2.88Å; T108-S111 PolarHBondContact O-N 3.07Å; T108-N112 WeakPolarHBondContact O-CB 3.45Å; T108-N112 VanDerWaalsContact O-CG 3.29Å; T108-N112 PolarHBondContact O-N 2.91Å
109	E	86.6	Confident	85	Confident	92 Å²	92	93.6 Å²	93.6	43%	0.43	50%	0.498	S	S	.	.	H	α-helix	trans	-62.7	-42.9	172.5	-161.5	-167	162.9	0	0	111.9	G105 N112 R113	G105-E109 WeakPolarHBondContact O-CB 3.4Å; G105-E109 PolarHBondContact O-N 3.31Å; E109-N112 PolarHBondContact O-N 3.42Å; E109-R113 WeakPolarHBondContact O-CG 3.41Å; E109-R113 PolarHBondContact O-N 3.02Å; E109-R113 IonicContact OE1-CZ 2.95Å; E109-R113 IonicContact OE1-NE 3.38Å; E109-R113 PolarHBondContact OE1-NE 3.44Å; E109-R113 IonicContact OE1-NH2 3.6Å; E109-R113 PolarHBondContact OE1-NH2 3.5Å
110	A	85.3	Confident	85.7	Confident	54 Å²	54	92.5 Å²	92.5	45%	0.446	49%	0.494	S	S	.	.	H	α-helix	trans	-61.2	-44.9	174.5	0	0	0	0	0	112.2	R106 Q107 N112 R113 Q114	R106-A110 WeakPolarHBondContact O-CB 3.33Å; R106-A110 PolarHBondContact O-N 3.44Å; Q107-A110 PolarHBondContact O-N 2.93Å; A110-N112 PolarHBondContact O-N 3.45Å; A110-R113 PolarHBondContact O-N 2.86Å; A110-Q114 PolarHBondContact O-N 3.35Å
111	S	88.9	Confident	86.4	Confident	53 Å²	53	92.2 Å²	92.2	37%	0.371	49%	0.493	S	S	.	.	H	α-helix	trans	-61	-41.1	173.9	-67.7	0	0	0	0	112.4	Q107 T108 Q114 I115	Q107-S111 PolarHBondContact O-N 2.69Å; Q107-S111 PolarHBondContact O-OG 3.49Å; T108-S111 PolarHBondContact O-N 3.07Å; S111-Q114 WeakPolarHBondContact O-CB 3.46Å; S111-Q114 PolarHBondContact O-N 2.93Å; S111-I115 VanDerWaalsContact O-CG1 3.3Å; S111-I115 WeakPolarHBondContact O-CG1 3.31Å; S111-I115 PolarHBondContact O-N 3.05Å
112	N	90.2	Very high	86.9	Confident	104 Å²	104	90 Å²	90	56%	0.556	49%	0.486	S	S	*	.	H	α-helix	trans	-64.1	-42.9	177.2	-74.8	-8.5	0	0	0	111.8	T108 E109 A110 Q114 I115 E116	T108-N112 WeakPolarHBondContact O-CB 3.45Å; T108-N112 VanDerWaalsContact O-CG 3.29Å; T108-N112 PolarHBondContact O-N 2.91Å; E109-N112 PolarHBondContact O-N 3.42Å; A110-N112 PolarHBondContact O-N 3.45Å; N112-Q114 VanDerWaalsContact C-N 3.29Å; N112-Q114 PolarHBondContact O-N 3.27Å; N112-I115 PolarHBondContact O-N 2.96Å; N112-E116 PolarHBondContact O-N 3.41Å
113	R	91.8	Very high	87.6	Confident	157 Å²	157	92.8 Å²	92.8	59%	0.592	49%	0.49	S	S	*	.	H	α-helix	trans	-61.5	-36.2	173.3	-67	173	-172.9	-155.8	7.8	111.9	E109 A110 A117	E109-R113 WeakPolarHBondContact O-CG 3.41Å; E109-R113 PolarHBondContact O-N 3.02Å; E109-R113 IonicContact OE1-CZ 2.95Å; E109-R113 IonicContact OE1-NE 3.38Å; E109-R113 PolarHBondContact OE1-NE 3.44Å; E109-R113 IonicContact OE1-NH2 3.6Å; E109-R113 PolarHBondContact OE1-NH2 3.5Å; A110-R113 PolarHBondContact O-N 2.86Å; R113-A117 WeakPolarHBondContact O-CB 3.43Å; R113-A117 PolarHBondContact O-N 3.23Å
114	Q	86.6	Confident	88.2	Confident	137 Å²	137	92.6 Å²	92.6	64%	0.64	49%	0.489	S	S	*	.	H	α-helix	trans	-69.3	-41.4	175	-174.4	176.9	-7.3	0	0	112.3	A110 S111 N112 A117 S118	A110-Q114 PolarHBondContact O-N 3.35Å; S111-Q114 WeakPolarHBondContact O-CB 3.46Å; S111-Q114 PolarHBondContact O-N 2.93Å; N112-Q114 VanDerWaalsContact C-N 3.29Å; N112-Q114 PolarHBondContact O-N 3.27Å; Q114-A117 PolarHBondContact O-N 2.79Å; Q114-S118 PolarHBondContact O-N 3.35Å; Q114-S118 PolarHBondContact O-OG 2.92Å
115	I	89.3	Confident	88.7	Confident	110 Å²	110	95.5 Å²	95.5	56%	0.564	49%	0.494	S	S	*	.	H	α-helix	trans	-62.3	-43.5	174.4	-69.3	163.1	0	0	0	110.5	S111 N112 S118 S119	S111-I115 VanDerWaalsContact O-CG1 3.3Å; S111-I115 WeakPolarHBondContact O-CG1 3.31Å; S111-I115 PolarHBondContact O-N 3.05Å; N112-I115 PolarHBondContact O-N 2.96Å; I115-S118 PolarHBondContact O-N 2.99Å; I115-S119 PolarHBondContact O-N 3.31Å
116	E	90.8	Very high	89.1	Confident	99 Å²	99	98 Å²	98	46%	0.463	50%	0.499	S	S	.	.	H	α-helix	trans	-64.6	-41.3	176.9	-161.3	-166	169.6	0	0	111.9	N112 S118 S119 R120	N112-E116 PolarHBondContact O-N 3.41Å; E116-S118 VanDerWaalsContact C-N 3.33Å; E116-S118 PolarHBondContact O-N 2.91Å; E116-S119 PolarHBondContact O-N 2.87Å; E116-R120 VanDerWaalsContact O-CG 3.31Å; E116-R120 WeakPolarHBondContact O-CG 3.18Å; E116-R120 PolarHBondContact O-N 2.95Å; E116-R120 IonicContact OE1-CZ 3Å; E116-R120 VanDerWaalsContact OE1-CZ 3.28Å; E116-R120 IonicContact OE1-NE 2.69Å; E116-R120 PolarHBondContact OE1-NE 3.14Å; E116-R120 VanDerWaalsContact OE1-NE 3.16Å; E116-R120 IonicContact OE1-NH2 3.29Å; E116-R120 PolarHBondContact OE1-NH2 3.42Å; E116-R120 IonicContact OE2-NH2 2.75Å
117	A	87.8	Confident	89.5	Confident	47 Å²	47	97.3 Å²	97.3	39%	0.388	50%	0.496	S	S	.	.	H	α-helix	trans	-60.3	-41.6	173.6	0	0	0	0	0	112	R113 Q114 R120 Q121	R113-A117 WeakPolarHBondContact O-CB 3.43Å; R113-A117 PolarHBondContact O-N 3.23Å; Q114-A117 PolarHBondContact O-N 2.79Å; A117-R120 PolarHBondContact O-N 3.03Å; A117-Q121 WeakPolarHBondContact O-CG 3.36Å; A117-Q121 PolarHBondContact O-N 3.46Å
118	S	90.8	Very high	90	Very high	56 Å²	56	96.9 Å²	96.9	39%	0.392	49%	0.494	S	S	.	.	H	α-helix	trans	-65.5	-38.5	173.7	-66	0	0	0	0	112.8	Q114 I115 E116 Q121 T122	Q114-S118 PolarHBondContact O-N 3.35Å; Q114-S118 PolarHBondContact O-OG 2.92Å; I115-S118 PolarHBondContact O-N 2.99Å; E116-S118 VanDerWaalsContact C-N 3.33Å; E116-S118 PolarHBondContact O-N 2.91Å; S118-Q121 WeakPolarHBondContact O-CB 3.32Å; S118-Q121 PolarHBondContact O-N 2.97Å; S118-T122 PolarHBondContact O-N 3.42Å
119	S	90.3	Very high	90.4	Very high	51 Å²	51	97 Å²	97	36%	0.357	49%	0.491	S	S	.	.	H	α-helix	trans	-60.8	-48.9	173.2	-169	0	0	0	0	111.2	I115 E116 Q121 T122 E123	I115-S119 PolarHBondContact O-N 3.31Å; E116-S119 PolarHBondContact O-N 2.87Å; S119-Q121 PolarHBondContact O-N 3.47Å; S119-T122 PolarHBondContact O-N 2.95Å; S119-T122 PolarHBondContact O-OG1 2.93Å; S119-E123 VanDerWaalsContact O-CG 3.32Å; S119-E123 WeakPolarHBondContact O-CG 3.38Å; S119-E123 PolarHBondContact O-N 3.14Å; S119-E123 PolarHBondContact OG-OE1 2.91Å
120	R	92.6	Very high	90.8	Very high	147 Å²	147	97.4 Å²	97.4	56%	0.555	49%	0.493	S	S	*	.	H	α-helix	trans	-60	-32	177	-66.8	167.8	179.5	-150.9	5.2	112.1	E116 A117 A124	E116-R120 VanDerWaalsContact O-CG 3.31Å; E116-R120 WeakPolarHBondContact O-CG 3.18Å; E116-R120 PolarHBondContact O-N 2.95Å; E116-R120 IonicContact OE1-CZ 3Å; E116-R120 VanDerWaalsContact OE1-CZ 3.28Å; E116-R120 IonicContact OE1-NE 2.69Å; E116-R120 PolarHBondContact OE1-NE 3.14Å; E116-R120 VanDerWaalsContact OE1-NE 3.16Å; E116-R120 IonicContact OE1-NH2 3.29Å; E116-R120 PolarHBondContact OE1-NH2 3.42Å; E116-R120 IonicContact OE2-NH2 2.75Å; A117-R120 PolarHBondContact O-N 3.03Å; R120-A124 WeakPolarHBondContact O-CB 3.39Å; R120-A124 PolarHBondContact O-N 3.25Å; R120-A124 VanDerWaalsContact O-N 3.08Å
121	Q	89.8	Confident	91.1	Very high	137 Å²	137	97.5 Å²	97.5	64%	0.64	49%	0.493	S	S	*	.	H	α-helix	trans	-70.3	-43.6	172.2	-75.6	177.9	-10.7	0	0	112.8	A117 S118 S119 E123 A124 F125	A117-Q121 WeakPolarHBondContact O-CG 3.36Å; A117-Q121 PolarHBondContact O-N 3.46Å; S118-Q121 WeakPolarHBondContact O-CB 3.32Å; S118-Q121 PolarHBondContact O-N 2.97Å; S119-Q121 PolarHBondContact O-N 3.47Å; Q121-E123 VanDerWaalsContact C-N 3.35Å; Q121-A124 PolarHBondContact O-N 2.71Å; Q121-F125 PolarHBondContact O-N 3.17Å
122	T	90.6	Very high	91.4	Very high	78 Å²	78	97.5 Å²	97.5	48%	0.479	49%	0.494	S	S	.	.	H	α-helix	trans	-67.2	-35.9	176.1	59	0	0	0	0	111.8	S118 S119 A124 F125 N126	S118-T122 PolarHBondContact O-N 3.42Å; S119-T122 PolarHBondContact O-N 2.95Å; S119-T122 PolarHBondContact O-OG1 2.93Å; T122-A124 VanDerWaalsContact C-N 3.34Å; T122-A124 PolarHBondContact O-N 3.5Å; T122-F125 PolarHBondContact O-N 2.92Å; T122-N126 WeakPolarHBondContact O-CB 3.49Å; T122-N126 PolarHBondContact O-N 3.33Å; T122-N126 PolarHBondContact O-ND2 3.34Å
123	E	93.4	Very high	91.5	Very high	87 Å²	87	95.7 Å²	95.7	41%	0.407	49%	0.489	S	S	.	.	H	α-helix	trans	-64.4	-34.3	171.4	-69.8	160.3	-138.3	0	0	113.1	S119 Q121 R127	S119-E123 VanDerWaalsContact O-CG 3.32Å; S119-E123 WeakPolarHBondContact O-CG 3.38Å; S119-E123 PolarHBondContact O-N 3.14Å; S119-E123 PolarHBondContact OG-OE1 2.91Å; Q121-E123 VanDerWaalsContact C-N 3.35Å; E123-R127 WeakPolarHBondContact O-CG 3.32Å; E123-R127 PolarHBondContact O-N 3.31Å; E123-R127 PolarHBondContact O-NE 2.86Å
124	A	90.6	Very high	91.7	Very high	48 Å²	48	95.8 Å²	95.8	40%	0.397	49%	0.49	S	S	.	.	H	α-helix	trans	-70.2	-43.4	173.3	0	0	0	0	0	111.3	R120 Q121 T122 R127 Q128	R120-A124 WeakPolarHBondContact O-CB 3.39Å; R120-A124 PolarHBondContact O-N 3.25Å; R120-A124 VanDerWaalsContact O-N 3.08Å; Q121-A124 PolarHBondContact O-N 2.71Å; T122-A124 VanDerWaalsContact C-N 3.34Å; T122-A124 PolarHBondContact O-N 3.5Å; A124-R127 PolarHBondContact O-N 3.34Å; A124-Q128 PolarHBondContact O-N 2.76Å
125	F	92.6	Very high	91.9	Very high	126 Å²	126	96.3 Å²	96.3	55%	0.553	49%	0.492	S	S	*	.	H	α-helix	trans	-63.9	-43.1	176.7	-174.5	-111.5	0	0	0	112.4	Q121 T122 R127 Q128 I129	Q121-F125 PolarHBondContact O-N 3.17Å; T122-F125 PolarHBondContact O-N 2.92Å; F125-R127 PolarHBondContact O-N 3.23Å; F125-Q128 WeakPolarHBondContact O-CB 3.4Å; F125-Q128 PolarHBondContact O-N 3.04Å; F125-Q128 VanDerWaalsContact O-N 3.1Å; F125-I129 HydrophobicContact CD1-CD1 3.87Å; F125-I129 HydrophobicContact CE1-CD1 3.54Å; F125-I129 HydrophobicContact CE1-CG1 4.4Å; F125-I129 HydrophobicContact CZ-CD1 4.06Å; F125-I129 PolarHBondContact O-N 3.26Å
126	N	92.9	Very high	92	Very high	89 Å²	89	96.3 Å²	96.3	48%	0.476	49%	0.492	S	S	.	.	H	α-helix	trans	-62.1	-40.8	175.5	-71.4	-15.3	0	0	0	111.9	T122 Q128 I129 E130	T122-N126 WeakPolarHBondContact O-CB 3.49Å; T122-N126 PolarHBondContact O-N 3.33Å; T122-N126 PolarHBondContact O-ND2 3.34Å; N126-Q128 VanDerWaalsContact C-N 3.31Å; N126-Q128 PolarHBondContact O-N 3.08Å; N126-I129 PolarHBondContact O-N 3.46Å; N126-E130 PolarHBondContact O-N 2.93Å
127	R	94.3	Very high	92.2	Very high	156 Å²	156	96.3 Å²	96.3	59%	0.589	49%	0.492	S	S	*	.	H	α-helix	trans	-63.7	-34.6	172.6	-78.1	177.6	-74.9	177.5	-7.4	112.8	E123 A124 F125 A131	E123-R127 WeakPolarHBondContact O-CG 3.32Å; E123-R127 PolarHBondContact O-N 3.31Å; E123-R127 PolarHBondContact O-NE 2.86Å; A124-R127 PolarHBondContact O-N 3.34Å; F125-R127 PolarHBondContact O-N 3.23Å; R127-A131 WeakPolarHBondContact O-CB 3.48Å; R127-A131 PolarHBondContact O-N 3.34Å
128	Q	91.3	Very high	92.4	Very high	129 Å²	129	96.4 Å²	96.4	60%	0.603	49%	0.493	S	S	*	.	H	α-helix	trans	-68.6	-37.8	173.5	-173.8	177.8	-5.3	0	0	112.1	A124 F125 N126 S132	A124-Q128 PolarHBondContact O-N 2.76Å; F125-Q128 WeakPolarHBondContact O-CB 3.4Å; F125-Q128 PolarHBondContact O-N 3.04Å; F125-Q128 VanDerWaalsContact O-N 3.1Å; N126-Q128 VanDerWaalsContact C-N 3.31Å; N126-Q128 PolarHBondContact O-N 3.08Å; Q128-S132 WeakPolarHBondContact O-CB 3.34Å; Q128-S132 PolarHBondContact O-N 3.01Å; Q128-S132 PolarHBondContact O-OG 3.34Å
129	I	92.8	Very high	92.5	Very high	80 Å²	80	96.8 Å²	96.8	41%	0.41	50%	0.495	S	S	.	.	H	α-helix	trans	-62.6	-50.2	171.8	-69.4	170.7	0	0	0	110.2	F125 N126 A131 S132 S133	F125-I129 HydrophobicContact CD1-CD1 3.87Å; F125-I129 HydrophobicContact CE1-CD1 3.54Å; F125-I129 HydrophobicContact CE1-CG1 4.4Å; F125-I129 HydrophobicContact CZ-CD1 4.06Å; F125-I129 PolarHBondContact O-N 3.26Å; N126-I129 PolarHBondContact O-N 3.46Å; I129-A131 VanDerWaalsContact C-N 3.33Å; I129-A131 PolarHBondContact O-N 3.34Å; I129-S132 WeakPolarHBondContact O-CA 3.41Å; I129-S132 WeakPolarHBondContact O-CB 3.44Å; I129-S132 PolarHBondContact O-N 2.92Å; I129-S132 VanDerWaalsContact O-N 3.07Å; I129-S133 PolarHBondContact O-N 2.94Å; I129-S133 PolarHBondContact O-OG 3.31Å
130	E	94.5	Very high	92.7	Very high	100 Å²	100	97.5 Å²	97.5	47%	0.467	50%	0.5	S	S	.	.	H	α-helix	trans	-56.2	-44.7	177	-84.8	-166.1	-132.1	0	0	112.9	N126 S132 S133 R134	N126-E130 PolarHBondContact O-N 2.93Å; E130-S132 VanDerWaalsContact C-N 3.31Å; E130-S132 PolarHBondContact O-N 3.49Å; E130-S133 PolarHBondContact O-N 3.47Å; E130-R134 VanDerWaalsContact O-CG 3.25Å; E130-R134 WeakPolarHBondContact O-CG 3.44Å; E130-R134 PolarHBondContact O-N 2.94Å; E130-R134 IonicContact OE2-CZ 3.54Å; E130-R134 IonicContact OE2-NE 3.3Å; E130-R134 IonicContact OE2-NH2 3.48Å; E130-R134 PolarHBondContact OE2-NH2 2.97Å
131	A	91.9	Very high	92.8	Very high	56 Å²	56	97.6 Å²	97.6	46%	0.463	50%	0.501	S	S	.	.	H	α-helix	trans	-61.1	-42	176.4	0	0	0	0	0	111.6	R127 I129 R134 Q135	R127-A131 WeakPolarHBondContact O-CB 3.48Å; R127-A131 PolarHBondContact O-N 3.34Å; I129-A131 VanDerWaalsContact C-N 3.33Å; I129-A131 PolarHBondContact O-N 3.34Å; A131-R134 PolarHBondContact O-N 3.24Å; A131-Q135 PolarHBondContact O-N 2.95Å
132	S	94.6	Very high	92.8	Very high	54 Å²	54	97.6 Å²	97.6	38%	0.378	50%	0.501	S	S	.	.	H	α-helix	trans	-64.7	-43.3	176.9	-54.8	0	0	0	0	111.7	Q128 I129 E130 Q135 I136	Q128-S132 WeakPolarHBondContact O-CB 3.34Å; Q128-S132 PolarHBondContact O-N 3.01Å; Q128-S132 PolarHBondContact O-OG 3.34Å; I129-S132 WeakPolarHBondContact O-CA 3.41Å; I129-S132 WeakPolarHBondContact O-CB 3.44Å; I129-S132 PolarHBondContact O-N 2.92Å; I129-S132 VanDerWaalsContact O-N 3.07Å; E130-S132 VanDerWaalsContact C-N 3.31Å; E130-S132 PolarHBondContact O-N 3.49Å; S132-Q135 PolarHBondContact O-N 3.32Å; S132-I136 WeakPolarHBondContact O-CG1 3.17Å; S132-I136 PolarHBondContact O-N 3.36Å
133	S	93	Very high	92.9	Very high	66 Å²	66	97.3 Å²	97.3	46%	0.462	50%	0.499	S	S	.	.	H	α-helix	trans	-62.5	-43.2	175.8	-63.5	0	0	0	0	112.2	I129 E130 Q135 I136 E137	I129-S133 PolarHBondContact O-N 2.94Å; I129-S133 PolarHBondContact O-OG 3.31Å; E130-S133 PolarHBondContact O-N 3.47Å; S133-Q135 VanDerWaalsContact C-N 3.31Å; S133-Q135 PolarHBondContact O-N 3.4Å; S133-I136 PolarHBondContact O-N 3.43Å; S133-E137 PolarHBondContact O-N 2.9Å
134	R	94.4	Very high	93	Very high	159 Å²	159	98.9 Å²	98.9	60%	0.6	51%	0.506	S	S	*	.	H	α-helix	trans	-62.7	-37	174.6	-67.9	166.6	-164.7	-107.9	6.7	111.9	E130 A131 E137 A138	E130-R134 VanDerWaalsContact O-CG 3.25Å; E130-R134 WeakPolarHBondContact O-CG 3.44Å; E130-R134 PolarHBondContact O-N 2.94Å; E130-R134 IonicContact OE2-CZ 3.54Å; E130-R134 IonicContact OE2-NE 3.3Å; E130-R134 IonicContact OE2-NH2 3.48Å; E130-R134 PolarHBondContact OE2-NH2 2.97Å; A131-R134 PolarHBondContact O-N 3.24Å; R134-E137 PolarHBondContact O-N 3.36Å; R134-A138 WeakPolarHBondContact O-CB 3.4Å; R134-A138 PolarHBondContact O-N 2.96Å
135	Q	90.7	Very high	93	Very high	147 Å²	147	101.1 Å²	101.1	69%	0.687	52%	0.515	S	S	*	.	H	α-helix	trans	-68.6	-40.2	175.2	-174.8	177.4	-7.7	0	0	112.4	A131 S132 S133 A138 S139	A131-Q135 PolarHBondContact O-N 2.95Å; S132-Q135 PolarHBondContact O-N 3.32Å; S133-Q135 VanDerWaalsContact C-N 3.31Å; S133-Q135 PolarHBondContact O-N 3.4Å; Q135-A138 PolarHBondContact O-N 3.26Å; Q135-S139 WeakPolarHBondContact O-CB 3.47Å; Q135-S139 PolarHBondContact O-N 2.92Å
136	I	92.1	Very high	93.1	Very high	111 Å²	111	97.8 Å²	97.8	57%	0.569	51%	0.507	S	S	*	.	H	α-helix	trans	-62.5	-44.9	173.4	-69.8	161.6	0	0	0	110.4	S132 S133 A138 S139 S140	S132-I136 WeakPolarHBondContact O-CG1 3.17Å; S132-I136 PolarHBondContact O-N 3.36Å; S133-I136 PolarHBondContact O-N 3.43Å; I136-A138 PolarHBondContact O-N 2.93Å; I136-S139 WeakPolarHBondContact O-CB 3.33Å; I136-S139 PolarHBondContact O-N 3.3Å; I136-S140 PolarHBondContact O-N 3.41Å; I136-S140 PolarHBondContact O-OG 3.1Å
137	E	94.8	Very high	93	Very high	98 Å²	98	101.6 Å²	101.6	46%	0.458	52%	0.516	S	S	.	.	H	α-helix	trans	-62.3	-43.3	177.6	-161.7	-165.3	168	0	0	112.1	S133 R134 S139 S140 R141	S133-E137 PolarHBondContact O-N 2.9Å; R134-E137 PolarHBondContact O-N 3.36Å; E137-S139 VanDerWaalsContact C-N 3.31Å; E137-S139 PolarHBondContact O-N 3.28Å; E137-S140 PolarHBondContact O-N 2.97Å; E137-R141 WeakPolarHBondContact O-CG 3.49Å; E137-R141 PolarHBondContact O-N 3.2Å; E137-R141 IonicContact OE1-CZ 3.29Å; E137-R141 VanDerWaalsContact OE1-CZ 3.3Å; E137-R141 IonicContact OE1-NE 2.71Å; E137-R141 PolarHBondContact OE1-NE 2.91Å; E137-R141 IonicContact OE1-NH2 2.61Å; E137-R141 PolarHBondContact OE1-NH2 3.39Å; E137-R141 IonicContact OE2-NH2 2.71Å
138	A	92	Very high	93	Very high	49 Å²	49	99.7 Å²	99.7	41%	0.405	51%	0.514	S	S	.	.	H	α-helix	trans	-60.3	-40	174.3	0	0	0	0	0	112.3	R134 Q135 I136 R141 Q142	R134-A138 WeakPolarHBondContact O-CB 3.4Å; R134-A138 PolarHBondContact O-N 2.96Å; Q135-A138 PolarHBondContact O-N 3.26Å; I136-A138 PolarHBondContact O-N 2.93Å; A138-R141 PolarHBondContact O-N 2.7Å; A138-Q142 WeakPolarHBondContact O-CG 3.49Å; A138-Q142 PolarHBondContact O-N 2.97Å
139	S	94.2	Very high	93	Very high	64 Å²	64	100 Å²	100	45%	0.448	52%	0.515	S	S	.	.	H	α-helix	trans	-64.8	-43.3	174.8	-170.8	0	0	0	0	112.3	Q135 I136 E137 R141 Q142 T143	Q135-S139 WeakPolarHBondContact O-CB 3.47Å; Q135-S139 PolarHBondContact O-N 2.92Å; I136-S139 WeakPolarHBondContact O-CB 3.33Å; I136-S139 PolarHBondContact O-N 3.3Å; E137-S139 VanDerWaalsContact C-N 3.31Å; E137-S139 PolarHBondContact O-N 3.28Å; S139-R141 PolarHBondContact O-N 2.97Å; S139-Q142 WeakPolarHBondContact O-CB 3.36Å; S139-Q142 PolarHBondContact O-N 2.91Å; S139-Q142 VanDerWaalsContact O-N 3.16Å; S139-T143 PolarHBondContact O-N 3.47Å
140	S	93.7	Very high	92.9	Very high	66 Å²	66	100.2 Å²	100.2	46%	0.462	52%	0.516	S	S	.	.	H	α-helix	trans	-62.1	-42.1	175.2	-64.3	0	0	0	0	112.1	I136 E137 Q142 T143 E144	I136-S140 PolarHBondContact O-N 3.41Å; I136-S140 PolarHBondContact O-OG 3.1Å; E137-S140 PolarHBondContact O-N 2.97Å; S140-Q142 VanDerWaalsContact C-N 3.33Å; S140-Q142 PolarHBondContact O-N 3.09Å; S140-T143 PolarHBondContact O-N 3.24Å; S140-T143 PolarHBondContact O-OG1 3.19Å; S140-E144 PolarHBondContact O-N 2.94Å
141	R	94.3	Very high	92.8	Very high	150 Å²	150	96.4 Å²	96.4	57%	0.566	50%	0.504	S	S	*	.	H	α-helix	trans	-62.4	-38.8	173.4	-67.5	169.1	-179	-147.5	6.3	111.7	E137 A138 S139 T145	E137-R141 WeakPolarHBondContact O-CG 3.49Å; E137-R141 PolarHBondContact O-N 3.2Å; E137-R141 IonicContact OE1-CZ 3.29Å; E137-R141 VanDerWaalsContact OE1-CZ 3.3Å; E137-R141 IonicContact OE1-NE 2.71Å; E137-R141 PolarHBondContact OE1-NE 2.91Å; E137-R141 IonicContact OE1-NH2 2.61Å; E137-R141 PolarHBondContact OE1-NH2 3.39Å; E137-R141 IonicContact OE2-NH2 2.71Å; A138-R141 PolarHBondContact O-N 2.7Å; S139-R141 PolarHBondContact O-N 2.97Å; R141-T145 WeakPolarHBondContact O-CG2 3.44Å; R141-T145 PolarHBondContact O-N 2.97Å; R141-T145 PolarHBondContact O-OG1 2.84Å
142	Q	90.9	Very high	92.8	Very high	136 Å²	136	95.5 Å²	95.5	64%	0.636	50%	0.497	S	S	*	.	H	α-helix	trans	-63.9	-45	174.1	-75.7	178.7	-6	0	0	112.3	A138 S139 S140 E144 T145 S146	A138-Q142 WeakPolarHBondContact O-CG 3.49Å; A138-Q142 PolarHBondContact O-N 2.97Å; S139-Q142 WeakPolarHBondContact O-CB 3.36Å; S139-Q142 PolarHBondContact O-N 2.91Å; S139-Q142 VanDerWaalsContact O-N 3.16Å; S140-Q142 VanDerWaalsContact C-N 3.33Å; S140-Q142 PolarHBondContact O-N 3.09Å; Q142-E144 PolarHBondContact O-N 3.48Å; Q142-T145 PolarHBondContact O-N 3.07Å; Q142-T145 PolarHBondContact O-OG1 3.06Å; Q142-S146 PolarHBondContact O-N 3.38Å
143	T	91.6	Very high	92.8	Very high	72 Å²	72	95.2 Å²	95.2	44%	0.442	50%	0.495	S	S	.	.	H	α-helix	trans	-64.9	-39.4	177.5	59.1	0	0	0	0	112.1	S139 S140 S146 Y147	S139-T143 PolarHBondContact O-N 3.47Å; S140-T143 PolarHBondContact O-N 3.24Å; S140-T143 PolarHBondContact O-OG1 3.19Å; T143-S146 WeakPolarHBondContact O-CB 3.35Å; T143-S146 PolarHBondContact O-N 3.06Å; T143-Y147 WeakPolarHBondContact O-CD2 3.47Å; T143-Y147 PolarHBondContact O-N 2.68Å
144	E	95.1	Very high	92.9	Very high	121 Å²	121	96 Å²	96	57%	0.565	49%	0.494	S	S	*	.	H	α-helix	trans	-60.2	-47.5	174	-174.1	175.8	-163.8	0	0	112.3	S140 Q142 S146 Y147 Q148	S140-E144 PolarHBondContact O-N 2.94Å; Q142-E144 PolarHBondContact O-N 3.48Å; E144-S146 VanDerWaalsContact C-N 3.27Å; E144-S146 PolarHBondContact O-N 3.21Å; E144-Y147 PolarHBondContact O-N 2.91Å; E144-Q148 WeakPolarHBondContact O-CG 3.37Å; E144-Q148 PolarHBondContact O-N 3.31Å
145	T	91.9	Very high	92.9	Very high	94 Å²	94	95.5 Å²	95.5	58%	0.577	49%	0.492	S	S	*	.	H	α-helix	trans	-61.6	-35.4	176.5	57.6	0	0	0	0	112.7	R141 Q142 Q148 Q149	R141-T145 WeakPolarHBondContact O-CG2 3.44Å; R141-T145 PolarHBondContact O-N 2.97Å; R141-T145 PolarHBondContact O-OG1 2.84Å; Q142-T145 PolarHBondContact O-N 3.07Å; Q142-T145 PolarHBondContact O-OG1 3.06Å; T145-Q148 PolarHBondContact O-N 3.17Å; T145-Q149 WeakPolarHBondContact O-CB 3.48Å; T145-Q149 PolarHBondContact O-N 3.37Å
146	S	94.2	Very high	93	Very high	56 Å²	56	95 Å²	95	39%	0.392	49%	0.49	S	S	.	.	H	α-helix	trans	-63.5	-45.3	173.3	-174.4	0	0	0	0	112	Q142 T143 E144 Q148 Q149 I150	Q142-S146 PolarHBondContact O-N 3.38Å; T143-S146 WeakPolarHBondContact O-CB 3.35Å; T143-S146 PolarHBondContact O-N 3.06Å; E144-S146 VanDerWaalsContact C-N 3.27Å; E144-S146 PolarHBondContact O-N 3.21Å; S146-Q148 VanDerWaalsContact C-N 3.35Å; S146-Q148 PolarHBondContact O-N 2.95Å; S146-Q149 PolarHBondContact O-N 3.3Å; S146-I150 WeakPolarHBondContact O-CG1 3.43Å; S146-I150 PolarHBondContact O-N 2.92Å
147	Y	90.3	Very high	93	Very high	170 Å²	170	94 Å²	94	67%	0.667	49%	0.485	S	S	*	.	H	α-helix	trans	-61.9	-39.5	174.5	-75.2	-63.1	0	0	0	112.7	T143 E144 I150 G151	T143-Y147 WeakPolarHBondContact O-CD2 3.47Å; T143-Y147 PolarHBondContact O-N 2.68Å; E144-Y147 PolarHBondContact O-N 2.91Å; Y147-I150 PolarHBondContact O-N 2.94Å; Y147-G151 PolarHBondContact O-N 3.43Å
148	Q	94.4	Very high	92.9	Very high	115 Å²	115	94.5 Å²	94.5	54%	0.537	49%	0.488	S	S	.	.	H	α-helix	trans	-64.4	-39.6	174.4	-67.8	-67.8	-2.9	0	0	112.1	E144 T145 S146 G151 A152	E144-Q148 WeakPolarHBondContact O-CG 3.37Å; E144-Q148 PolarHBondContact O-N 3.31Å; T145-Q148 PolarHBondContact O-N 3.17Å; S146-Q148 VanDerWaalsContact C-N 3.35Å; S146-Q148 PolarHBondContact O-N 2.95Å; Q148-G151 PolarHBondContact O-N 3.46Å; Q148-A152 PolarHBondContact O-N 2.79Å
149	Q	91	Very high	92.9	Very high	136 Å²	136	94.5 Å²	94.5	64%	0.636	49%	0.488	S	S	*	.	H	α-helix	trans	-64.8	-43.7	175.1	-172.3	177.3	2.5	0	0	111.9	T145 S146 G151 A152 S153	T145-Q149 WeakPolarHBondContact O-CB 3.48Å; T145-Q149 PolarHBondContact O-N 3.37Å; S146-Q149 PolarHBondContact O-N 3.3Å; Q149-G151 VanDerWaalsContact C-N 3.32Å; Q149-G151 PolarHBondContact O-N 2.94Å; Q149-A152 WeakPolarHBondContact O-CB 3.48Å; Q149-A152 PolarHBondContact O-N 3.33Å; Q149-A152 VanDerWaalsContact O-N 3.16Å; Q149-S153 PolarHBondContact O-N 3.33Å; Q149-S153 PolarHBondContact O-OG 3.33Å
150	I	91.4	Very high	92.8	Very high	84 Å²	84	93.9 Å²	93.9	43%	0.431	48%	0.484	S	S	.	.	H	α-helix	trans	-60.1	-43.3	173.4	-67.9	163.3	0	0	0	110.5	S146 Y147 A152 S153 N154	S146-I150 WeakPolarHBondContact O-CG1 3.43Å; S146-I150 PolarHBondContact O-N 2.92Å; Y147-I150 PolarHBondContact O-N 2.94Å; I150-A152 VanDerWaalsContact C-N 3.32Å; I150-A152 PolarHBondContact O-N 3.1Å; I150-S153 PolarHBondContact O-N 2.94Å; I150-N154 WeakPolarHBondContact O-CB 3.42Å; I150-N154 PolarHBondContact O-N 3.06Å; I150-N154 PolarHBondContact O-ND2 2.98Å
151	G	93	Very high	92.8	Very high	21 Å²	21	95.5 Å²	95.5	22%	0.216	49%	0.487	C	S	.	.	H	α-helix	trans	-60.1	-38.3	174.1	0	0	0	0	0	113.4	Y147 Q148 Q149 R155	Y147-G151 PolarHBondContact O-N 3.43Å; Q148-G151 PolarHBondContact O-N 3.46Å; Q149-G151 VanDerWaalsContact C-N 3.32Å; Q149-G151 PolarHBondContact O-N 2.94Å; G151-R155 WeakPolarHBondContact O-CG 3.38Å; G151-R155 PolarHBondContact O-N 3.43Å; G151-R155 PolarHBondContact O-NE 2.88Å
152	A	91.9	Very high	92.8	Very high	36 Å²	36	97.7 Å²	97.7	30%	0.298	50%	0.495	S	S	.	.	H	α-helix	trans	-67.9	-47.2	174.8	0	0	0	0	0	112.2	Q148 Q149 I150 N154 R155 Q156	Q148-A152 PolarHBondContact O-N 2.79Å; Q149-A152 WeakPolarHBondContact O-CB 3.48Å; Q149-A152 PolarHBondContact O-N 3.33Å; Q149-A152 VanDerWaalsContact O-N 3.16Å; I150-A152 VanDerWaalsContact C-N 3.32Å; I150-A152 PolarHBondContact O-N 3.1Å; A152-N154 VanDerWaalsContact C-N 3.34Å; A152-N154 PolarHBondContact O-N 2.8Å; A152-R155 WeakPolarHBondContact O-CB 3.46Å; A152-R155 PolarHBondContact O-N 3.45Å; A152-R155 VanDerWaalsContact O-N 3.15Å; A152-Q156 PolarHBondContact O-N 3.01Å
153	S	94	Very high	92.8	Very high	48 Å²	48	97.6 Å²	97.6	34%	0.336	50%	0.495	S	S	.	.	H	α-helix	trans	-59.1	-42.8	175.7	-65.1	0	0	0	0	112	Q149 I150 R155 Q156 I157	Q149-S153 PolarHBondContact O-N 3.33Å; Q149-S153 PolarHBondContact O-OG 3.33Å; I150-S153 PolarHBondContact O-N 2.94Å; S153-R155 VanDerWaalsContact C-N 3.31Å; S153-R155 PolarHBondContact O-N 2.65Å; S153-Q156 WeakPolarHBondContact O-CB 3.4Å; S153-Q156 PolarHBondContact O-N 2.92Å; S153-Q156 VanDerWaalsContact O-N 3.12Å; S153-I157 WeakPolarHBondContact O-CG1 3.43Å; S153-I157 PolarHBondContact O-N 2.65Å
154	N	94.8	Very high	92.8	Very high	83 Å²	83	98 Å²	98	44%	0.444	49%	0.494	S	S	.	.	H	α-helix	trans	-63.3	-35.5	176.5	-74.9	-21	0	0	0	112.5	I150 A152 M158	I150-N154 WeakPolarHBondContact O-CB 3.42Å; I150-N154 PolarHBondContact O-N 3.06Å; I150-N154 PolarHBondContact O-ND2 2.98Å; A152-N154 VanDerWaalsContact C-N 3.34Å; A152-N154 PolarHBondContact O-N 2.8Å; N154-M158 WeakPolarHBondContact O-CE 3.46Å; N154-M158 WeakPolarHBondContact O-CG 3.44Å; N154-M158 PolarHBondContact O-N 2.97Å
155	R	95.1	Very high	92.7	Very high	149 Å²	149	93.6 Å²	93.6	56%	0.562	48%	0.48	S	S	*	.	H	α-helix	trans	-66	-40.1	171.6	-72.3	-177.9	-67.9	-101.7	5	112.2	G151 A152 S153 M158 A159	G151-R155 WeakPolarHBondContact O-CG 3.38Å; G151-R155 PolarHBondContact O-N 3.43Å; G151-R155 PolarHBondContact O-NE 2.88Å; A152-R155 WeakPolarHBondContact O-CB 3.46Å; A152-R155 PolarHBondContact O-N 3.45Å; A152-R155 VanDerWaalsContact O-N 3.15Å; S153-R155 VanDerWaalsContact C-N 3.31Å; S153-R155 PolarHBondContact O-N 2.65Å; R155-M158 HydrophobicContact CG-CE 4.43Å; R155-M158 PolarHBondContact O-N 3.22Å; R155-A159 PolarHBondContact O-N 3.2Å
156	Q	92.5	Very high	92.6	Very high	137 Å²	137	91.1 Å²	91.1	64%	0.64	47%	0.469	S	S	*	.	H	α-helix	trans	-64.8	-42.8	174.8	-69.3	175.3	-14	0	0	112.2	A152 S153 M158 A159 S160	A152-Q156 PolarHBondContact O-N 3.01Å; S153-Q156 WeakPolarHBondContact O-CB 3.4Å; S153-Q156 PolarHBondContact O-N 2.92Å; S153-Q156 VanDerWaalsContact O-N 3.12Å; Q156-M158 PolarHBondContact O-N 3.2Å; Q156-A159 PolarHBondContact O-N 2.83Å; Q156-S160 PolarHBondContact O-N 3.41Å
157	I	92.2	Very high	92.6	Very high	90 Å²	90	91 Å²	91	46%	0.462	47%	0.468	S	S	.	.	H	α-helix	trans	-60.7	-44.6	175.5	-68.2	163.9	0	0	0	110.7	S153 A159 S160 N161	S153-I157 WeakPolarHBondContact O-CG1 3.43Å; S153-I157 PolarHBondContact O-N 2.65Å; I157-A159 VanDerWaalsContact C-N 3.34Å; I157-A159 PolarHBondContact O-N 3.17Å; I157-S160 PolarHBondContact O-N 3.17Å; I157-N161 WeakPolarHBondContact O-CB 3.39Å; I157-N161 PolarHBondContact O-N 2.94Å
158	M	92.1	Very high	92.8	Very high	108 Å²	108	87.5 Å²	87.5	53%	0.532	46%	0.461	S	S	.	.	H	α-helix	trans	-63.2	-36.5	175	-76.2	-172.1	-78.7	0	0	113.1	N154 R155 Q156 R162	N154-M158 WeakPolarHBondContact O-CE 3.46Å; N154-M158 WeakPolarHBondContact O-CG 3.44Å; N154-M158 PolarHBondContact O-N 2.97Å; R155-M158 HydrophobicContact CG-CE 4.43Å; R155-M158 PolarHBondContact O-N 3.22Å; Q156-M158 PolarHBondContact O-N 3.2Å; M158-R162 WeakPolarHBondContact O-CG 3.5Å; M158-R162 PolarHBondContact O-N 3.43Å; M158-R162 VanDerWaalsContact O-N 3.17Å
159	A	91.6	Very high	92.8	Very high	48 Å²	48	90.2 Å²	90.2	40%	0.397	47%	0.466	S	S	.	.	H	α-helix	trans	-67	-45.2	174.6	0	0	0	0	0	112	R155 Q156 I157 R162 Q163	R155-A159 PolarHBondContact O-N 3.2Å; Q156-A159 PolarHBondContact O-N 2.83Å; I157-A159 VanDerWaalsContact C-N 3.34Å; I157-A159 PolarHBondContact O-N 3.17Å; A159-R162 WeakPolarHBondContact O-CB 3.34Å; A159-R162 PolarHBondContact O-N 3.32Å; A159-Q163 PolarHBondContact O-N 2.94Å
160	S	93.4	Very high	92.9	Very high	52 Å²	52	90.2 Å²	90.2	36%	0.364	47%	0.467	S	S	.	.	H	α-helix	trans	-60.2	-46.3	176	-175.8	0	0	0	0	111.8	Q156 I157 R162 Q163 I164	Q156-S160 PolarHBondContact O-N 3.41Å; I157-S160 PolarHBondContact O-N 3.17Å; S160-R162 VanDerWaalsContact C-N 3.27Å; S160-R162 PolarHBondContact O-N 3.41Å; S160-Q163 WeakPolarHBondContact O-CA 3.46Å; S160-Q163 WeakPolarHBondContact O-CB 3.48Å; S160-Q163 PolarHBondContact O-N 2.65Å; S160-I164 WeakPolarHBondContact O-CG1 3.38Å; S160-I164 PolarHBondContact O-N 3.24Å
161	N	93.1	Very high	92.9	Very high	99 Å²	99	90.8 Å²	90.8	53%	0.529	47%	0.47	S	S	.	.	H	α-helix	trans	-60.8	-34.1	176	-73.5	-17.4	0	0	0	112.8	I157 G165	I157-N161 WeakPolarHBondContact O-CB 3.39Å; I157-N161 PolarHBondContact O-N 2.94Å; N161-G165 PolarHBondContact O-N 3.37Å
162	R	94.9	Very high	92.9	Very high	197 Å²	197	94.2 Å²	94.2	74%	0.743	48%	0.48	S	S	*	.	H	α-helix	trans	-68	-38.2	172	-73	173.7	-178.8	-169.7	1.5	112.3	M158 A159 S160 G165 A166	M158-R162 WeakPolarHBondContact O-CG 3.5Å; M158-R162 PolarHBondContact O-N 3.43Å; M158-R162 VanDerWaalsContact O-N 3.17Å; A159-R162 WeakPolarHBondContact O-CB 3.34Å; A159-R162 PolarHBondContact O-N 3.32Å; S160-R162 VanDerWaalsContact C-N 3.27Å; S160-R162 PolarHBondContact O-N 3.41Å; R162-G165 PolarHBondContact O-N 3.46Å; R162-A166 PolarHBondContact O-N 2.92Å
163	Q	90.9	Very high	92.9	Very high	133 Å²	133	94.8 Å²	94.8	62%	0.621	49%	0.485	S	S	*	.	H	α-helix	trans	-66.7	-42.7	175.2	-70.7	174.7	-20.7	0	0	111.9	A159 S160 G165 A166 S167	A159-Q163 PolarHBondContact O-N 2.94Å; S160-Q163 WeakPolarHBondContact O-CA 3.46Å; S160-Q163 WeakPolarHBondContact O-CB 3.48Å; S160-Q163 PolarHBondContact O-N 2.65Å; Q163-G165 VanDerWaalsContact C-N 3.34Å; Q163-G165 PolarHBondContact O-N 2.94Å; Q163-A166 WeakPolarHBondContact O-CB 3.38Å; Q163-A166 PolarHBondContact O-N 2.73Å; Q163-A166 VanDerWaalsContact O-N 3.14Å; Q163-S167 PolarHBondContact O-N 2.96Å; Q163-S167 PolarHBondContact O-OG 2.76Å
164	I	90.9	Very high	92.9	Very high	82 Å²	82	95 Å²	95	42%	0.421	49%	0.486	S	S	.	.	H	α-helix	trans	-59.9	-45.8	172.8	-65	164.9	0	0	0	110.1	S160 A166 S167 N168	S160-I164 WeakPolarHBondContact O-CG1 3.38Å; S160-I164 PolarHBondContact O-N 3.24Å; I164-A166 VanDerWaalsContact C-N 3.27Å; I164-A166 PolarHBondContact O-N 3.46Å; I164-S167 PolarHBondContact O-N 3.43Å; I164-N168 WeakPolarHBondContact O-CB 3.41Å; I164-N168 PolarHBondContact O-N 2.88Å
165	G	93.1	Very high	92.8	Very high	27 Å²	27	95.7 Å²	95.7	28%	0.278	49%	0.49	S	S	.	.	H	α-helix	trans	-65.7	-21.2	175.5	0	0	0	0	0	115	N161 R162 Q163 R169	N161-G165 PolarHBondContact O-N 3.37Å; R162-G165 PolarHBondContact O-N 3.46Å; Q163-G165 VanDerWaalsContact C-N 3.34Å; Q163-G165 PolarHBondContact O-N 2.94Å; G165-R169 PolarHBondContact O-NE 3.08Å; G165-R169 PolarHBondContact O-NH2 2.96Å
166	A	90.9	Very high	92.8	Very high	42 Å²	42	96.6 Å²	96.6	35%	0.347	49%	0.493	S	S	.	.	H	α-helix	trans	-79.7	-47.5	169	0	0	0	0	0	111.3	R162 Q163 I164 N168 R169 Q170	R162-A166 PolarHBondContact O-N 2.92Å; Q163-A166 WeakPolarHBondContact O-CB 3.38Å; Q163-A166 PolarHBondContact O-N 2.73Å; Q163-A166 VanDerWaalsContact O-N 3.14Å; I164-A166 VanDerWaalsContact C-N 3.27Å; I164-A166 PolarHBondContact O-N 3.46Å; A166-N168 PolarHBondContact O-N 3.36Å; A166-R169 PolarHBondContact O-N 3.47Å; A166-R169 VanDerWaalsContact O-N 3.11Å; A166-Q170 PolarHBondContact O-N 3.21Å; A166-Q170 VanDerWaalsContact O-N 3.1Å
167	S	92.9	Very high	92.8	Very high	53 Å²	53	96.7 Å²	96.7	37%	0.371	49%	0.494	S	S	.	.	H	α-helix	trans	-59	-43.9	179.8	-53.5	0	0	0	0	111.9	Q163 I164 R169 Q170 I171	Q163-S167 PolarHBondContact O-N 2.96Å; Q163-S167 PolarHBondContact O-OG 2.76Å; I164-S167 PolarHBondContact O-N 3.43Å; S167-R169 VanDerWaalsContact C-N 3.28Å; S167-R169 PolarHBondContact O-N 3.28Å; S167-Q170 WeakPolarHBondContact O-CB 3.5Å; S167-Q170 PolarHBondContact O-N 3.21Å; S167-Q170 VanDerWaalsContact O-N 3.11Å; S167-I171 WeakPolarHBondContact O-CG1 3.36Å; S167-I171 PolarHBondContact O-N 3.02Å
168	N	94.8	Very high	92.7	Very high	97 Å²	97	96.5 Å²	96.5	52%	0.519	49%	0.493	S	S	.	.	H	α-helix	trans	-60.8	-35.6	177	-73	-5.9	0	0	0	112.7	I164 A166 I171 E172	I164-N168 WeakPolarHBondContact O-CB 3.41Å; I164-N168 PolarHBondContact O-N 2.88Å; A166-N168 PolarHBondContact O-N 3.36Å; N168-I171 PolarHBondContact O-N 2.99Å; N168-E172 PolarHBondContact O-N 2.7Å
169	R	95.3	Very high	92.7	Very high	172 Å²	172	92.8 Å²	92.8	65%	0.649	48%	0.482	S	S	*	.	H	α-helix	trans	-72.7	-32.1	175.7	-75.7	179.5	-74.1	176.8	0.2	112.5	G165 A166 S167 A173	G165-R169 PolarHBondContact O-NE 3.08Å; G165-R169 PolarHBondContact O-NH2 2.96Å; A166-R169 PolarHBondContact O-N 3.47Å; A166-R169 VanDerWaalsContact O-N 3.11Å; S167-R169 VanDerWaalsContact C-N 3.28Å; S167-R169 PolarHBondContact O-N 3.28Å; R169-A173 WeakPolarHBondContact O-CB 3.45Å; R169-A173 PolarHBondContact O-N 3.17Å
170	Q	91.6	Very high	92.7	Very high	137 Å²	137	93.2 Å²	93.2	64%	0.64	49%	0.486	S	S	*	.	H	α-helix	trans	-67.5	-42.8	171.2	-68.8	175.1	-40.6	0	0	111.6	A166 S167 E172 A173 S174	A166-Q170 PolarHBondContact O-N 3.21Å; A166-Q170 VanDerWaalsContact O-N 3.1Å; S167-Q170 WeakPolarHBondContact O-CB 3.5Å; S167-Q170 PolarHBondContact O-N 3.21Å; S167-Q170 VanDerWaalsContact O-N 3.11Å; Q170-E172 VanDerWaalsContact C-N 3.35Å; Q170-E172 PolarHBondContact O-N 3.04Å; Q170-A173 PolarHBondContact O-N 3.3Å; Q170-S174 WeakPolarHBondContact O-CB 3.29Å; Q170-S174 PolarHBondContact O-N 3.36Å
171	I	91.1	Very high	92.7	Very high	96 Å²	96	93.6 Å²	93.6	49%	0.492	49%	0.489	S	S	.	.	H	α-helix	trans	-60.2	-45	174.4	-67.4	165	0	0	0	110.4	S167 N168 A173 S174 N175	S167-I171 WeakPolarHBondContact O-CG1 3.36Å; S167-I171 PolarHBondContact O-N 3.02Å; N168-I171 PolarHBondContact O-N 2.99Å; I171-A173 PolarHBondContact O-N 2.83Å; I171-S174 PolarHBondContact O-N 2.95Å; I171-N175 WeakPolarHBondContact O-CB 3.43Å; I171-N175 VanDerWaalsContact O-CG 3.32Å; I171-N175 PolarHBondContact O-N 3.2Å; I171-N175 PolarHBondContact O-ND2 2.87Å
172	E	93.9	Very high	92.7	Very high	93 Å²	93	93.5 Å²	93.5	44%	0.435	49%	0.488	S	S	.	.	H	α-helix	trans	-63.3	-42.9	177.3	-159.4	-165.2	167.8	0	0	112.3	N168 Q170 S174 N175 R176	N168-E172 PolarHBondContact O-N 2.7Å; Q170-E172 VanDerWaalsContact C-N 3.35Å; Q170-E172 PolarHBondContact O-N 3.04Å; E172-S174 PolarHBondContact O-N 3.16Å; E172-N175 PolarHBondContact O-N 3.36Å; E172-R176 VanDerWaalsContact CD-NH2 3.3Å; E172-R176 WeakPolarHBondContact O-CG 3.45Å; E172-R176 PolarHBondContact O-N 3.35Å; E172-R176 IonicContact OE1-CZ 2.66Å; E172-R176 IonicContact OE1-NE 2.65Å; E172-R176 PolarHBondContact OE1-NE 2.97Å; E172-R176 IonicContact OE1-NH2 3.33Å; E172-R176 PolarHBondContact OE1-NH2 3.26Å; E172-R176 IonicContact OE2-NH2 2.66Å
173	A	92	Very high	92.7	Very high	48 Å²	48	93 Å²	93	40%	0.397	49%	0.486	S	S	.	.	H	α-helix	trans	-61.3	-42.7	175.2	0	0	0	0	0	112.2	R169 Q170 I171 R176 Q177	R169-A173 WeakPolarHBondContact O-CB 3.45Å; R169-A173 PolarHBondContact O-N 3.17Å; Q170-A173 PolarHBondContact O-N 3.3Å; I171-A173 PolarHBondContact O-N 2.83Å; A173-R176 PolarHBondContact O-N 3.21Å; A173-Q177 WeakPolarHBondContact O-CG 3.45Å; A173-Q177 PolarHBondContact O-N 2.79Å
174	S	94.1	Very high	92.7	Very high	52 Å²	52	93.1 Å²	93.1	36%	0.364	49%	0.487	S	S	.	.	H	α-helix	trans	-63.8	-43.6	176	-171.8	0	0	0	0	111.9	Q170 I171 E172 R176 Q177 I178	Q170-S174 WeakPolarHBondContact O-CB 3.29Å; Q170-S174 PolarHBondContact O-N 3.36Å; I171-S174 PolarHBondContact O-N 2.95Å; E172-S174 PolarHBondContact O-N 3.16Å; S174-R176 VanDerWaalsContact C-N 3.31Å; S174-R176 PolarHBondContact O-N 3.48Å; S174-Q177 WeakPolarHBondContact O-CB 3.41Å; S174-Q177 PolarHBondContact O-N 3.35Å; S174-Q177 VanDerWaalsContact O-N 3.09Å; S174-I178 WeakPolarHBondContact O-CG1 3.41Å; S174-I178 PolarHBondContact O-N 3.2Å
175	N	93.1	Very high	92.7	Very high	98 Å²	98	93 Å²	93	52%	0.524	49%	0.49	S	S	.	.	H	α-helix	trans	-60.7	-37.8	174.9	-73.7	-23.4	0	0	0	112.5	I171 E172 I178 G179	I171-N175 WeakPolarHBondContact O-CB 3.43Å; I171-N175 VanDerWaalsContact O-CG 3.32Å; I171-N175 PolarHBondContact O-N 3.2Å; I171-N175 PolarHBondContact O-ND2 2.87Å; E172-N175 PolarHBondContact O-N 3.36Å; N175-I178 PolarHBondContact O-N 3.01Å; N175-G179 PolarHBondContact O-N 3.24Å
176	R	94.8	Very high	92.7	Very high	167 Å²	167	96.2 Å²	96.2	63%	0.63	50%	0.497	S	S	*	.	H	α-helix	trans	-65.6	-38.8	173.4	-67.9	170.7	-173.2	-170.2	3.5	112	E172 A173 S174 G179 A180	E172-R176 VanDerWaalsContact CD-NH2 3.3Å; E172-R176 WeakPolarHBondContact O-CG 3.45Å; E172-R176 PolarHBondContact O-N 3.35Å; E172-R176 IonicContact OE1-CZ 2.66Å; E172-R176 IonicContact OE1-NE 2.65Å; E172-R176 PolarHBondContact OE1-NE 2.97Å; E172-R176 IonicContact OE1-NH2 3.33Å; E172-R176 PolarHBondContact OE1-NH2 3.26Å; E172-R176 IonicContact OE2-NH2 2.66Å; A173-R176 PolarHBondContact O-N 3.21Å; S174-R176 VanDerWaalsContact C-N 3.31Å; S174-R176 PolarHBondContact O-N 3.48Å; R176-G179 PolarHBondContact O-N 3.06Å; R176-A180 PolarHBondContact O-N 3.32Å
177	Q	91.7	Very high	92.9	Very high	139 Å²	139	98.5 Å²	98.5	65%	0.65	51%	0.507	S	S	*	.	H	α-helix	trans	-65.1	-44.6	174.5	-72.4	174.9	-24.7	0	0	112.2	A173 S174 G179 A180 S181	A173-Q177 WeakPolarHBondContact O-CG 3.45Å; A173-Q177 PolarHBondContact O-N 2.79Å; S174-Q177 WeakPolarHBondContact O-CB 3.41Å; S174-Q177 PolarHBondContact O-N 3.35Å; S174-Q177 VanDerWaalsContact O-N 3.09Å; Q177-G179 VanDerWaalsContact C-N 3.32Å; Q177-G179 PolarHBondContact O-N 2.92Å; Q177-A180 PolarHBondContact O-N 2.88Å; Q177-S181 PolarHBondContact O-N 3.03Å
178	I	91	Very high	92.9	Very high	86 Å²	86	98.5 Å²	98.5	44%	0.441	51%	0.507	S	S	.	.	H	α-helix	trans	-59.3	-44.9	174.4	-65.8	164.4	0	0	0	110.2	S174 N175 A180 S181 N182	S174-I178 WeakPolarHBondContact O-CG1 3.41Å; S174-I178 PolarHBondContact O-N 3.2Å; N175-I178 PolarHBondContact O-N 3.01Å; I178-A180 VanDerWaalsContact C-N 3.31Å; I178-A180 PolarHBondContact O-N 3.45Å; I178-S181 PolarHBondContact O-N 2.65Å; I178-N182 WeakPolarHBondContact O-CB 3.5Å; I178-N182 PolarHBondContact O-N 3.47Å; I178-N182 PolarHBondContact O-OD1 3.32Å
179	G	92.3	Very high	92.9	Very high	31 Å²	31	97.4 Å²	97.4	32%	0.32	51%	0.507	S	S	.	.	H	α-helix	trans	-60.8	-35.5	175.7	0	0	0	0	0	114	N175 R176 Q177 R183	N175-G179 PolarHBondContact O-N 3.24Å; R176-G179 PolarHBondContact O-N 3.06Å; Q177-G179 VanDerWaalsContact C-N 3.32Å; Q177-G179 PolarHBondContact O-N 2.92Å; G179-R183 WeakPolarHBondContact O-CG 3.49Å; G179-R183 PolarHBondContact O-N 3.17Å
180	A	90.9	Very high	92.9	Very high	56 Å²	56	96.8 Å²	96.8	46%	0.463	50%	0.504	S	S	.	.	H	α-helix	trans	-71	-44.7	173.4	0	0	0	0	0	112.1	R176 Q177 I178 N182 R183 Q184	R176-A180 PolarHBondContact O-N 3.32Å; Q177-A180 PolarHBondContact O-N 2.88Å; I178-A180 VanDerWaalsContact C-N 3.31Å; I178-A180 PolarHBondContact O-N 3.45Å; A180-N182 PolarHBondContact O-N 3.25Å; A180-R183 PolarHBondContact O-N 3.05Å; A180-Q184 PolarHBondContact O-N 3.41Å
181	S	92.9	Very high	93	Very high	61 Å²	61	96.4 Å²	96.4	43%	0.427	50%	0.503	S	S	.	.	H	α-helix	trans	-61.7	-42.3	178.5	-167.1	0	0	0	0	112	Q177 I178 R183 Q184 T185	Q177-S181 PolarHBondContact O-N 3.03Å; I178-S181 PolarHBondContact O-N 2.65Å; S181-R183 PolarHBondContact O-N 2.9Å; S181-Q184 WeakPolarHBondContact O-CB 3.44Å; S181-Q184 PolarHBondContact O-N 3.13Å; S181-Q184 VanDerWaalsContact O-N 3.12Å; S181-T185 PolarHBondContact O-N 2.92Å; S181-T185 PolarHBondContact O-OG1 2.94Å
182	N	93.3	Very high	93	Very high	97 Å²	97	96.6 Å²	96.6	52%	0.519	50%	0.504	S	S	.	.	H	α-helix	trans	-61.7	-42	177.3	-72.5	-1.2	0	0	0	111.8	I178 A180 Q184 T185 E186	I178-N182 WeakPolarHBondContact O-CB 3.5Å; I178-N182 PolarHBondContact O-N 3.47Å; I178-N182 PolarHBondContact O-OD1 3.32Å; A180-N182 PolarHBondContact O-N 3.25Å; N182-Q184 VanDerWaalsContact C-N 3.31Å; N182-Q184 PolarHBondContact O-N 2.93Å; N182-T185 WeakPolarHBondContact CA-OG1 3.47Å; N182-T185 PolarHBondContact O-N 3.28Å; N182-T185 PolarHBondContact O-OG1 3.22Å; N182-E186 PolarHBondContact O-N 2.88Å
183	R	94.7	Very high	93	Very high	185 Å²	185	96.9 Å²	96.9	70%	0.698	51%	0.505	S	S	*	.	H	α-helix	trans	-61.3	-39.3	173.5	-70.6	170.3	-179.3	177	0.7	111.9	G179 A180 S181 E186 V187	G179-R183 WeakPolarHBondContact O-CG 3.49Å; G179-R183 PolarHBondContact O-N 3.17Å; A180-R183 PolarHBondContact O-N 3.05Å; S181-R183 PolarHBondContact O-N 2.9Å; R183-E186 PolarHBondContact O-N 3.01Å; R183-V187 WeakPolarHBondContact O-CG2 3.17Å; R183-V187 PolarHBondContact O-N 3.01Å
184	Q	91.3	Very high	93	Very high	137 Å²	137	96.9 Å²	96.9	64%	0.64	51%	0.505	S	S	*	.	H	α-helix	trans	-64.4	-44	175.8	-171.4	173.4	-3.5	0	0	111.6	A180 S181 N182 E186 V187 S188	A180-Q184 PolarHBondContact O-N 3.41Å; S181-Q184 WeakPolarHBondContact O-CB 3.44Å; S181-Q184 PolarHBondContact O-N 3.13Å; S181-Q184 VanDerWaalsContact O-N 3.12Å; N182-Q184 VanDerWaalsContact C-N 3.31Å; N182-Q184 PolarHBondContact O-N 2.93Å; Q184-E186 VanDerWaalsContact C-N 3.3Å; Q184-E186 PolarHBondContact O-N 2.81Å; Q184-V187 PolarHBondContact O-N 3.02Å; Q184-S188 PolarHBondContact O-N 3.14Å; Q184-S188 PolarHBondContact O-OG 3.11Å
185	T	91.1	Very high	93	Very high	78 Å²	78	96.8 Å²	96.8	48%	0.479	50%	0.504	S	S	.	.	H	α-helix	trans	-63.6	-33.6	175.1	55.5	0	0	0	0	113.1	S181 N182 S189	S181-T185 PolarHBondContact O-N 2.92Å; S181-T185 PolarHBondContact O-OG1 2.94Å; N182-T185 WeakPolarHBondContact CA-OG1 3.47Å; N182-T185 PolarHBondContact O-N 3.28Å; N182-T185 PolarHBondContact O-OG1 3.22Å; T185-S189 WeakPolarHBondContact O-CB 3.47Å; T185-S189 PolarHBondContact O-N 3.37Å; T185-S189 PolarHBondContact O-OG 3.44Å
186	E	93.7	Very high	93.1	Very high	95 Å²	95	96.7 Å²	96.7	44%	0.444	50%	0.504	S	S	.	.	H	α-helix	trans	-67.7	-44.7	174.9	-164.5	-169.2	169.4	0	0	111.5	N182 R183 Q184 S189 R190	N182-E186 PolarHBondContact O-N 2.88Å; R183-E186 PolarHBondContact O-N 3.01Å; Q184-E186 VanDerWaalsContact C-N 3.3Å; Q184-E186 PolarHBondContact O-N 2.81Å; E186-S189 WeakPolarHBondContact O-CB 3.45Å; E186-S189 PolarHBondContact O-N 3.28Å; E186-R190 WeakPolarHBondContact O-CG 3.47Å; E186-R190 PolarHBondContact O-N 3.07Å; E186-R190 IonicContact OE1-CZ 3.28Å; E186-R190 IonicContact OE1-NE 2.65Å; E186-R190 PolarHBondContact OE1-NE 3.22Å; E186-R190 IonicContact OE1-NH2 3.85Å; E186-R190 PolarHBondContact OE1-NH2 3.09Å
187	V	94	Very high	93.1	Very high	90 Å²	90	96.6 Å²	96.6	55%	0.545	50%	0.504	S	S	.	.	H	α-helix	trans	-60.9	-45.3	175	170.2	0	0	0	0	111.2	R183 Q184 S189 R190 Q191	R183-V187 WeakPolarHBondContact O-CG2 3.17Å; R183-V187 PolarHBondContact O-N 3.01Å; Q184-V187 PolarHBondContact O-N 3.02Å; V187-S189 VanDerWaalsContact C-N 3.32Å; V187-S189 PolarHBondContact O-N 3.01Å; V187-R190 PolarHBondContact O-N 3.05Å; V187-Q191 PolarHBondContact O-N 2.88Å
188	S	94.1	Very high	93.2	Very high	53 Å²	53	96.6 Å²	96.6	37%	0.371	50%	0.504	S	S	.	.	H	α-helix	trans	-60.8	-39.7	175	-61.5	0	0	0	0	112.4	Q184 Q191 I192	Q184-S188 PolarHBondContact O-N 3.14Å; Q184-S188 PolarHBondContact O-OG 3.11Å; S188-Q191 PolarHBondContact O-N 3.06Å; S188-I192 WeakPolarHBondContact O-CG1 3.39Å; S188-I192 PolarHBondContact O-N 3.27Å
189	S	94.1	Very high	93.2	Very high	74 Å²	74	97 Å²	97	52%	0.517	51%	0.506	S	S	.	.	H	α-helix	trans	-64.1	-44.4	176.8	-58.7	0	0	0	0	112	T185 E186 V187 Q191 I192 E193	T185-S189 WeakPolarHBondContact O-CB 3.47Å; T185-S189 PolarHBondContact O-N 3.37Å; T185-S189 PolarHBondContact O-OG 3.44Å; E186-S189 WeakPolarHBondContact O-CB 3.45Å; E186-S189 PolarHBondContact O-N 3.28Å; V187-S189 VanDerWaalsContact C-N 3.32Å; V187-S189 PolarHBondContact O-N 3.01Å; S189-Q191 VanDerWaalsContact C-N 3.31Å; S189-Q191 PolarHBondContact O-N 3.37Å; S189-I192 PolarHBondContact O-N 3.49Å; S189-E193 PolarHBondContact O-N 3.22Å
190	R	95	Very high	93.3	Very high	159 Å²	159	96.6 Å²	96.6	60%	0.6	50%	0.502	S	S	*	.	H	α-helix	trans	-61.9	-36.3	174.4	-67.3	169.5	-179.8	-146.4	5.3	112.1	E186 V187 E193 A194	E186-R190 WeakPolarHBondContact O-CG 3.47Å; E186-R190 PolarHBondContact O-N 3.07Å; E186-R190 IonicContact OE1-CZ 3.28Å; E186-R190 IonicContact OE1-NE 2.65Å; E186-R190 PolarHBondContact OE1-NE 3.22Å; E186-R190 IonicContact OE1-NH2 3.85Å; E186-R190 PolarHBondContact OE1-NH2 3.09Å; V187-R190 PolarHBondContact O-N 3.05Å; R190-E193 PolarHBondContact O-N 3.23Å; R190-A194 PolarHBondContact O-N 2.91Å
191	Q	92.9	Very high	93.3	Very high	129 Å²	129	96.5 Å²	96.5	60%	0.603	50%	0.501	S	S	*	.	H	α-helix	trans	-68.6	-39.7	176.5	-174.3	178.5	0.5	0	0	112.6	V187 S188 S189 A194 S195	V187-Q191 PolarHBondContact O-N 2.88Å; S188-Q191 PolarHBondContact O-N 3.06Å; S189-Q191 VanDerWaalsContact C-N 3.31Å; S189-Q191 PolarHBondContact O-N 3.37Å; Q191-A194 PolarHBondContact O-N 3.4Å; Q191-S195 PolarHBondContact O-N 3Å; Q191-S195 PolarHBondContact O-OG 3.22Å
192	I	91.9	Very high	93.3	Very high	101 Å²	101	96.6 Å²	96.6	52%	0.518	50%	0.502	S	S	.	.	H	α-helix	trans	-63.2	-43.4	173.2	-68.4	163.5	0	0	0	110.1	S188 S189 A194 S195 N196	S188-I192 WeakPolarHBondContact O-CG1 3.39Å; S188-I192 PolarHBondContact O-N 3.27Å; S189-I192 PolarHBondContact O-N 3.49Å; I192-A194 PolarHBondContact O-N 3.23Å; I192-S195 PolarHBondContact O-N 3.35Å; I192-N196 PolarHBondContact O-N 3.08Å
193	E	93.7	Very high	93.4	Very high	98 Å²	98	96.9 Å²	96.9	46%	0.458	50%	0.503	S	S	.	.	H	α-helix	trans	-61.5	-43	177	-152	-148.4	145.5	0	0	112	S189 R190 S195 N196 R197	S189-E193 PolarHBondContact O-N 3.22Å; R190-E193 PolarHBondContact O-N 3.23Å; E193-S195 PolarHBondContact O-N 3Å; E193-N196 PolarHBondContact O-N 2.93Å; E193-R197 WeakPolarHBondContact O-CG 3.23Å; E193-R197 PolarHBondContact O-N 3.15Å; E193-R197 IonicContact OE1-CZ 2.74Å; E193-R197 IonicContact OE1-NE 2.76Å; E193-R197 PolarHBondContact OE1-NE 2.91Å; E193-R197 IonicContact OE1-NH2 2.63Å; E193-R197 PolarHBondContact OE1-NH2 3.42Å; E193-R197 IonicContact OE2-NH2 2.7Å; E193-R197 PolarHBondContact OE2-NH2 3.25Å
194	A	91.8	Very high	93.4	Very high	49 Å²	49	96.3 Å²	96.3	41%	0.405	50%	0.501	S	S	.	.	H	α-helix	trans	-60.7	-42.7	175.3	0	0	0	0	0	112.5	R190 Q191 I192 R197 Q198	R190-A194 PolarHBondContact O-N 2.91Å; Q191-A194 PolarHBondContact O-N 3.4Å; I192-A194 PolarHBondContact O-N 3.23Å; A194-R197 PolarHBondContact O-N 3.32Å; A194-Q198 WeakPolarHBondContact O-CG 3.5Å; A194-Q198 PolarHBondContact O-N 2.99Å
195	S	95.3	Very high	93.4	Very high	49 Å²	49	96.8 Å²	96.8	34%	0.343	50%	0.503	S	S	.	.	H	α-helix	trans	-63.7	-42.3	175.2	-61.2	0	0	0	0	111.9	Q191 I192 E193 R197 Q198 I199	Q191-S195 PolarHBondContact O-N 3Å; Q191-S195 PolarHBondContact O-OG 3.22Å; I192-S195 PolarHBondContact O-N 3.35Å; E193-S195 PolarHBondContact O-N 3Å; S195-R197 VanDerWaalsContact C-N 3.32Å; S195-R197 PolarHBondContact O-N 3.46Å; S195-Q198 WeakPolarHBondContact O-CB 3.31Å; S195-Q198 PolarHBondContact O-N 2.98Å; S195-Q198 VanDerWaalsContact O-N 3.13Å; S195-I199 WeakPolarHBondContact O-CG1 3.48Å; S195-I199 PolarHBondContact O-N 3.04Å
196	N	94.6	Very high	93.4	Very high	97 Å²	97	96.6 Å²	96.6	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-63.3	-37.8	176.6	-72.5	-20.3	0	0	0	112.1	I192 E193 G200	I192-N196 PolarHBondContact O-N 3.08Å; E193-N196 PolarHBondContact O-N 2.93Å; N196-G200 PolarHBondContact O-N 3.41Å
197	R	95.4	Very high	93.4	Very high	164 Å²	164	96.6 Å²	96.6	62%	0.619	50%	0.502	S	S	*	.	H	α-helix	trans	-63.4	-40.2	172.1	-68.4	173.6	-174.5	-164.6	6.8	111.9	E193 A194 S195 G200 A201	E193-R197 WeakPolarHBondContact O-CG 3.23Å; E193-R197 PolarHBondContact O-N 3.15Å; E193-R197 IonicContact OE1-CZ 2.74Å; E193-R197 IonicContact OE1-NE 2.76Å; E193-R197 PolarHBondContact OE1-NE 2.91Å; E193-R197 IonicContact OE1-NH2 2.63Å; E193-R197 PolarHBondContact OE1-NH2 3.42Å; E193-R197 IonicContact OE2-NH2 2.7Å; E193-R197 PolarHBondContact OE2-NH2 3.25Å; A194-R197 PolarHBondContact O-N 3.32Å; S195-R197 VanDerWaalsContact C-N 3.32Å; S195-R197 PolarHBondContact O-N 3.46Å; R197-G200 PolarHBondContact O-N 2.86Å; R197-A201 PolarHBondContact O-N 3.16Å
198	Q	92.7	Very high	93.3	Very high	139 Å²	139	94.7 Å²	94.7	65%	0.65	50%	0.496	S	S	*	.	H	α-helix	trans	-65.1	-45.9	175.6	-73.4	176.3	-25.8	0	0	112.5	A194 S195 G200 A201 S202	A194-Q198 WeakPolarHBondContact O-CG 3.5Å; A194-Q198 PolarHBondContact O-N 2.99Å; S195-Q198 WeakPolarHBondContact O-CB 3.31Å; S195-Q198 PolarHBondContact O-N 2.98Å; S195-Q198 VanDerWaalsContact O-N 3.13Å; Q198-G200 VanDerWaalsContact C-N 3.3Å; Q198-G200 PolarHBondContact O-N 2.72Å; Q198-A201 WeakPolarHBondContact O-CB 3.29Å; Q198-A201 PolarHBondContact O-N 3.17Å; Q198-S202 PolarHBondContact O-N 2.8Å
199	I	92.3	Very high	93.3	Very high	94 Å²	94	94.7 Å²	94.7	48%	0.482	50%	0.496	S	S	.	.	H	α-helix	trans	-58.6	-44.5	174.6	-66.1	163.5	0	0	0	110.2	S195 A201 S202 N203	S195-I199 WeakPolarHBondContact O-CG1 3.48Å; S195-I199 PolarHBondContact O-N 3.04Å; I199-A201 VanDerWaalsContact C-N 3.27Å; I199-A201 PolarHBondContact O-N 3.45Å; I199-S202 PolarHBondContact O-N 3.45Å; I199-N203 PolarHBondContact O-N 3.26Å
200	G	92.7	Very high	93.3	Very high	23 Å²	23	95.9 Å²	95.9	24%	0.237	50%	0.496	C	S	.	.	H	α-helix	trans	-63	-27	174.8	0	0	0	0	0	114.4	N196 R197 Q198 R204	N196-G200 PolarHBondContact O-N 3.41Å; R197-G200 PolarHBondContact O-N 2.86Å; Q198-G200 VanDerWaalsContact C-N 3.3Å; Q198-G200 PolarHBondContact O-N 2.72Å; G200-R204 VanDerWaalsContact C-NH1 3.31Å; G200-R204 WeakPolarHBondContact O-CG 3.02Å; G200-R204 PolarHBondContact O-NH1 3.29Å
201	A	91.2	Very high	93.2	Very high	55 Å²	55	96 Å²	96	46%	0.455	50%	0.497	S	S	.	.	H	α-helix	trans	-76.4	-46.1	172.4	0	0	0	0	0	111.2	R197 Q198 I199 N203 R204 Q205	R197-A201 PolarHBondContact O-N 3.16Å; Q198-A201 WeakPolarHBondContact O-CB 3.29Å; Q198-A201 PolarHBondContact O-N 3.17Å; I199-A201 VanDerWaalsContact C-N 3.27Å; I199-A201 PolarHBondContact O-N 3.45Å; A201-N203 PolarHBondContact O-N 3.04Å; A201-R204 PolarHBondContact O-N 3.47Å; A201-Q205 PolarHBondContact O-N 2.94Å; A201-Q205 VanDerWaalsContact O-N 3.14Å
202	S	94.1	Very high	93.1	Very high	62 Å²	62	96.4 Å²	96.4	43%	0.434	50%	0.499	S	S	.	.	H	α-helix	trans	-59.3	-46.1	178.6	-171.4	0	0	0	0	112.1	Q198 I199 R204 Q205 T206	Q198-S202 PolarHBondContact O-N 2.8Å; I199-S202 PolarHBondContact O-N 3.45Å; S202-R204 VanDerWaalsContact C-N 3.3Å; S202-R204 PolarHBondContact O-N 3.45Å; S202-Q205 WeakPolarHBondContact O-CA 3.33Å; S202-Q205 WeakPolarHBondContact O-CB 3.4Å; S202-Q205 PolarHBondContact O-N 3.13Å; S202-T206 PolarHBondContact O-N 2.96Å; S202-T206 PolarHBondContact O-OG1 3.28Å
203	N	94.8	Very high	93.1	Very high	104 Å²	104	95.8 Å²	95.8	56%	0.556	50%	0.495	S	S	*	.	H	α-helix	trans	-59.1	-38.1	177.5	-73.1	-4.1	0	0	0	112.8	I199 A201 Q205 T206 E207	I199-N203 PolarHBondContact O-N 3.26Å; A201-N203 PolarHBondContact O-N 3.04Å; N203-Q205 VanDerWaalsContact C-N 3.35Å; N203-T206 PolarHBondContact O-N 3.32Å; N203-E207 PolarHBondContact O-N 3.01Å
204	R	94.9	Very high	93	Very high	173 Å²	173	92.3 Å²	92.3	65%	0.653	49%	0.486	S	S	*	.	H	α-helix	trans	-67.2	-35.5	175.2	-70.1	176.9	-174.5	107	-12.9	112	G200 A201 S202 E207 A208	G200-R204 VanDerWaalsContact C-NH1 3.31Å; G200-R204 WeakPolarHBondContact O-CG 3.02Å; G200-R204 PolarHBondContact O-NH1 3.29Å; A201-R204 PolarHBondContact O-N 3.47Å; S202-R204 VanDerWaalsContact C-N 3.3Å; S202-R204 PolarHBondContact O-N 3.45Å; R204-E207 PolarHBondContact O-N 2.79Å; R204-A208 WeakPolarHBondContact O-CB 3.32Å; R204-A208 PolarHBondContact O-N 3.28Å
205	Q	91.4	Very high	92.8	Very high	146 Å²	146	92.2 Å²	92.2	68%	0.682	49%	0.485	S	S	*	.	H	α-helix	trans	-67	-42.6	174.8	-174	-179.9	-6.6	0	0	111.3	A201 S202 N203 A208 S209	A201-Q205 PolarHBondContact O-N 2.94Å; A201-Q205 VanDerWaalsContact O-N 3.14Å; S202-Q205 WeakPolarHBondContact O-CA 3.33Å; S202-Q205 WeakPolarHBondContact O-CB 3.4Å; S202-Q205 PolarHBondContact O-N 3.13Å; N203-Q205 VanDerWaalsContact C-N 3.35Å; Q205-A208 PolarHBondContact O-N 3.03Å; Q205-S209 WeakPolarHBondContact O-CB 3.41Å; Q205-S209 PolarHBondContact O-N 3.42Å
206	T	91.6	Very high	92.7	Very high	74 Å²	74	92.7 Å²	92.7	45%	0.454	49%	0.489	S	S	.	.	H	α-helix	trans	-60.5	-43.8	172.3	-52.7	0	0	0	0	111.4	S202 N203 S209 N210	S202-T206 PolarHBondContact O-N 2.96Å; S202-T206 PolarHBondContact O-OG1 3.28Å; N203-T206 PolarHBondContact O-N 3.32Å; T206-S209 PolarHBondContact O-N 2.96Å; T206-N210 WeakPolarHBondContact O-CB 3.42Å; T206-N210 PolarHBondContact O-N 3.35Å
207	E	93.4	Very high	92.6	Very high	96 Å²	96	92.6 Å²	92.6	45%	0.449	49%	0.488	S	S	.	.	H	α-helix	trans	-63.9	-42.9	177.4	-156.9	-160.6	160.7	0	0	112.1	N203 R204 S209 N210 R211	N203-E207 PolarHBondContact O-N 3.01Å; R204-E207 PolarHBondContact O-N 2.79Å; E207-S209 VanDerWaalsContact C-N 3.34Å; E207-S209 PolarHBondContact O-N 3.29Å; E207-N210 PolarHBondContact O-N 3.38Å; E207-R211 VanDerWaalsContact CD-NH2 3.31Å; E207-R211 VanDerWaalsContact O-CG 3.29Å; E207-R211 WeakPolarHBondContact O-CG 3.38Å; E207-R211 PolarHBondContact O-N 2.98Å; E207-R211 IonicContact OE1-CZ 2.65Å; E207-R211 VanDerWaalsContact OE1-CZ 3.29Å; E207-R211 IonicContact OE1-NE 2.7Å; E207-R211 PolarHBondContact OE1-NE 3.09Å; E207-R211 VanDerWaalsContact OE1-NE 3.17Å; E207-R211 IonicContact OE1-NH2 3.17Å; E207-R211 PolarHBondContact OE1-NH2 3.42Å; E207-R211 IonicContact OE2-NH2 3.29Å
208	A	91	Very high	92.6	Very high	49 Å²	49	92.9 Å²	92.9	41%	0.405	49%	0.489	S	S	.	.	H	α-helix	trans	-60.8	-41.8	175.1	0	0	0	0	0	112.2	R204 Q205 R211 Q212	R204-A208 WeakPolarHBondContact O-CB 3.32Å; R204-A208 PolarHBondContact O-N 3.28Å; Q205-A208 PolarHBondContact O-N 3.03Å; A208-R211 WeakPolarHBondContact O-CB 3.39Å; A208-R211 PolarHBondContact O-N 3.41Å; A208-Q212 WeakPolarHBondContact O-CG 3.48Å; A208-Q212 PolarHBondContact O-N 3.38Å
209	S	94.1	Very high	92.4	Very high	54 Å²	54	92.8 Å²	92.8	38%	0.378	49%	0.489	S	S	.	.	H	α-helix	trans	-66	-42.2	176.3	-167.4	0	0	0	0	112	Q205 T206 E207 R211 Q212 I213	Q205-S209 WeakPolarHBondContact O-CB 3.41Å; Q205-S209 PolarHBondContact O-N 3.42Å; T206-S209 PolarHBondContact O-N 2.96Å; E207-S209 VanDerWaalsContact C-N 3.34Å; E207-S209 PolarHBondContact O-N 3.29Å; S209-R211 VanDerWaalsContact C-N 3.31Å; S209-R211 PolarHBondContact O-N 3.33Å; S209-Q212 WeakPolarHBondContact O-CB 3.48Å; S209-Q212 PolarHBondContact O-N 2.74Å; S209-Q212 VanDerWaalsContact O-N 3.1Å; S209-I213 WeakPolarHBondContact O-CG1 3.33Å; S209-I213 PolarHBondContact O-N 2.7Å
210	N	93.8	Very high	92.3	Very high	98 Å²	98	91.8 Å²	91.8	52%	0.524	49%	0.487	S	S	.	.	H	α-helix	trans	-61.1	-37.7	173.2	-73.6	-18.6	0	0	0	112.4	T206 E207 I213 G214	T206-N210 WeakPolarHBondContact O-CB 3.42Å; T206-N210 PolarHBondContact O-N 3.35Å; E207-N210 PolarHBondContact O-N 3.38Å; N210-I213 PolarHBondContact O-N 3.27Å; N210-G214 PolarHBondContact O-N 3.38Å
211	R	94.5	Very high	92.3	Very high	163 Å²	163	95.2 Å²	95.2	62%	0.615	50%	0.497	S	S	*	.	H	α-helix	trans	-65.2	-37.6	173.3	-68.9	169.4	-174.9	-166.9	3.8	111.9	E207 A208 S209 G214 A215	E207-R211 VanDerWaalsContact CD-NH2 3.31Å; E207-R211 VanDerWaalsContact O-CG 3.29Å; E207-R211 WeakPolarHBondContact O-CG 3.38Å; E207-R211 PolarHBondContact O-N 2.98Å; E207-R211 IonicContact OE1-CZ 2.65Å; E207-R211 VanDerWaalsContact OE1-CZ 3.29Å; E207-R211 IonicContact OE1-NE 2.7Å; E207-R211 PolarHBondContact OE1-NE 3.09Å; E207-R211 VanDerWaalsContact OE1-NE 3.17Å; E207-R211 IonicContact OE1-NH2 3.17Å; E207-R211 PolarHBondContact OE1-NH2 3.42Å; E207-R211 IonicContact OE2-NH2 3.29Å; A208-R211 WeakPolarHBondContact O-CB 3.39Å; A208-R211 PolarHBondContact O-N 3.41Å; S209-R211 VanDerWaalsContact C-N 3.31Å; S209-R211 PolarHBondContact O-N 3.33Å; R211-G214 PolarHBondContact O-N 3.28Å; R211-A215 PolarHBondContact O-N 2.93Å
212	Q	91.1	Very high	92.2	Very high	136 Å²	136	94.7 Å²	94.7	64%	0.636	49%	0.493	S	S	*	.	H	α-helix	trans	-65.1	-45.7	173.7	-72.5	174.1	-31.7	0	0	112.1	A208 S209 G214 A215 S216	A208-Q212 WeakPolarHBondContact O-CG 3.48Å; A208-Q212 PolarHBondContact O-N 3.38Å; S209-Q212 WeakPolarHBondContact O-CB 3.48Å; S209-Q212 PolarHBondContact O-N 2.74Å; S209-Q212 VanDerWaalsContact O-N 3.1Å; Q212-G214 VanDerWaalsContact C-N 3.32Å; Q212-G214 PolarHBondContact O-N 3.49Å; Q212-A215 WeakPolarHBondContact O-CB 3.21Å; Q212-A215 PolarHBondContact O-N 3.35Å; Q212-S216 PolarHBondContact O-N 3.27Å
213	I	90.8	Very high	92.1	Very high	88 Å²	88	94.5 Å²	94.5	45%	0.451	49%	0.491	S	S	.	.	H	α-helix	trans	-58.3	-46	174.5	-65.2	164.7	0	0	0	110.2	S209 N210 A215 S216 N217	S209-I213 WeakPolarHBondContact O-CG1 3.33Å; S209-I213 PolarHBondContact O-N 2.7Å; N210-I213 PolarHBondContact O-N 3.27Å; I213-A215 VanDerWaalsContact C-N 3.26Å; I213-A215 PolarHBondContact O-N 3.09Å; I213-S216 PolarHBondContact O-N 3.34Å; I213-N217 PolarHBondContact O-N 3.29Å
214	G	91.1	Very high	91.9	Very high	25 Å²	25	94.3 Å²	94.3	26%	0.258	49%	0.49	S	S	.	.	H	α-helix	trans	-64.3	-24.3	175.3	0	0	0	0	0	114.6	N210 R211 Q212 R218	N210-G214 PolarHBondContact O-N 3.38Å; R211-G214 PolarHBondContact O-N 3.28Å; Q212-G214 VanDerWaalsContact C-N 3.32Å; Q212-G214 PolarHBondContact O-N 3.49Å; G214-R218 WeakPolarHBondContact O-CG 3.38Å; G214-R218 PolarHBondContact O-NH1 3.29Å
215	A	88.8	Confident	91.8	Very high	48 Å²	48	94 Å²	94	40%	0.397	49%	0.489	S	S	.	.	H	α-helix	trans	-77.4	-44.9	171	0	0	0	0	0	111.2	R211 Q212 I213 R218 Q219	R211-A215 PolarHBondContact O-N 2.93Å; Q212-A215 WeakPolarHBondContact O-CB 3.21Å; Q212-A215 PolarHBondContact O-N 3.35Å; I213-A215 VanDerWaalsContact C-N 3.26Å; I213-A215 PolarHBondContact O-N 3.09Å; A215-R218 WeakPolarHBondContact O-CB 3.17Å; A215-R218 PolarHBondContact O-N 2.92Å; A215-Q219 PolarHBondContact O-N 2.97Å; A215-Q219 VanDerWaalsContact O-N 3.17Å
216	S	92.6	Very high	91.7	Very high	59 Å²	59	93.3 Å²	93.3	41%	0.413	49%	0.486	S	S	.	.	H	α-helix	trans	-62.1	-44.8	179.8	-163.1	0	0	0	0	112	Q212 I213 R218 Q219 T220	Q212-S216 PolarHBondContact O-N 3.27Å; I213-S216 PolarHBondContact O-N 3.34Å; S216-R218 VanDerWaalsContact C-N 3.27Å; S216-R218 PolarHBondContact O-N 3.14Å; S216-Q219 WeakPolarHBondContact O-CA 3.29Å; S216-Q219 WeakPolarHBondContact O-CB 3.47Å; S216-Q219 PolarHBondContact O-N 2.7Å; S216-T220 PolarHBondContact O-N 3.15Å; S216-T220 PolarHBondContact O-OG1 3.5Å
217	N	93.6	Very high	91.5	Very high	95 Å²	95	94 Å²	94	51%	0.508	49%	0.486	S	S	.	.	H	α-helix	trans	-57.7	-37.2	175.5	-71.8	1.4	0	0	0	112.7	I213 T220 E221	I213-N217 PolarHBondContact O-N 3.29Å; N217-T220 WeakPolarHBondContact O-CB 3.35Å; N217-T220 PolarHBondContact O-N 2.91Å; N217-E221 PolarHBondContact O-N 2.87Å
218	R	93.9	Very high	91.3	Very high	170 Å²	170	90.6 Å²	90.6	64%	0.642	48%	0.476	S	S	*	.	H	α-helix	trans	-68.7	-32.9	175.4	-69.8	178	-173.9	108.3	-13.5	112.4	G214 A215 S216 A222	G214-R218 WeakPolarHBondContact O-CG 3.38Å; G214-R218 PolarHBondContact O-NH1 3.29Å; A215-R218 WeakPolarHBondContact O-CB 3.17Å; A215-R218 PolarHBondContact O-N 2.92Å; S216-R218 VanDerWaalsContact C-N 3.27Å; S216-R218 PolarHBondContact O-N 3.14Å; R218-A222 WeakPolarHBondContact O-CB 3.46Å; R218-A222 PolarHBondContact O-N 2.91Å
219	Q	89.1	Confident	91.1	Very high	136 Å²	136	90.8 Å²	90.8	64%	0.636	48%	0.478	S	S	*	.	H	α-helix	trans	-67.2	-41	172.1	-65.3	173.9	-49.4	0	0	110.9	A215 S216 A222 S223	A215-Q219 PolarHBondContact O-N 2.97Å; A215-Q219 VanDerWaalsContact O-N 3.17Å; S216-Q219 WeakPolarHBondContact O-CA 3.29Å; S216-Q219 WeakPolarHBondContact O-CB 3.47Å; S216-Q219 PolarHBondContact O-N 2.7Å; Q219-A222 PolarHBondContact O-N 3.19Å; Q219-S223 WeakPolarHBondContact O-CB 3.49Å; Q219-S223 PolarHBondContact O-N 3.33Å
220	T	90.3	Very high	90.9	Very high	73 Å²	73	91.3 Å²	91.3	45%	0.448	48%	0.481	S	S	.	.	H	α-helix	trans	-61.9	-44.5	173.3	-47.1	0	0	0	0	111.8	S216 N217 A222 S223 N224	S216-T220 PolarHBondContact O-N 3.15Å; S216-T220 PolarHBondContact O-OG1 3.5Å; N217-T220 WeakPolarHBondContact O-CB 3.35Å; N217-T220 PolarHBondContact O-N 2.91Å; T220-A222 PolarHBondContact O-N 3.47Å; T220-S223 PolarHBondContact O-N 3.03Å; T220-N224 WeakPolarHBondContact O-CB 3.06Å; T220-N224 VanDerWaalsContact O-CG 3.26Å; T220-N224 PolarHBondContact O-N 3.15Å; T220-N224 PolarHBondContact O-ND2 2.82Å
221	E	92	Very high	90.8	Very high	95 Å²	95	91.3 Å²	91.3	44%	0.444	48%	0.482	S	S	.	.	H	α-helix	trans	-58.9	-44.5	172.7	-80.4	-174.9	-149.9	0	0	112.6	N217 N224 R225	N217-E221 PolarHBondContact O-N 2.87Å; E221-N224 PolarHBondContact O-N 2.65Å; E221-R225 WeakPolarHBondContact O-CG 3.38Å; E221-R225 PolarHBondContact O-N 3.26Å; E221-R225 IonicContact OE2-CZ 3.46Å; E221-R225 IonicContact OE2-NH1 3.3Å; E221-R225 IonicContact OE2-NH2 3.03Å; E221-R225 PolarHBondContact OE2-NH2 2.85Å
222	A	88.7	Confident	90.6	Very high	45 Å²	45	92 Å²	92	37%	0.372	48%	0.484	S	S	.	.	H	α-helix	trans	-63.6	-43.5	179	0	0	0	0	0	111.8	R218 Q219 T220 R225 Q226	R218-A222 WeakPolarHBondContact O-CB 3.46Å; R218-A222 PolarHBondContact O-N 2.91Å; Q219-A222 PolarHBondContact O-N 3.19Å; T220-A222 PolarHBondContact O-N 3.47Å; A222-R225 PolarHBondContact O-N 2.87Å; A222-Q226 WeakPolarHBondContact O-CG 3.09Å; A222-Q226 PolarHBondContact O-N 3.28Å
223	S	91.9	Very high	90.4	Very high	57 Å²	57	92.2 Å²	92.2	40%	0.399	49%	0.485	S	S	.	.	H	α-helix	trans	-64.2	-42.9	176	-169.1	0	0	0	0	111.8	Q219 T220 R225 Q226 I227	Q219-S223 WeakPolarHBondContact O-CB 3.49Å; Q219-S223 PolarHBondContact O-N 3.33Å; T220-S223 PolarHBondContact O-N 3.03Å; S223-R225 VanDerWaalsContact C-N 3.31Å; S223-R225 PolarHBondContact O-N 2.63Å; S223-Q226 WeakPolarHBondContact O-CB 3.32Å; S223-Q226 PolarHBondContact O-N 3.32Å; S223-Q226 VanDerWaalsContact O-N 3.1Å; S223-I227 WeakPolarHBondContact O-CG1 3.43Å; S223-I227 PolarHBondContact O-N 2.99Å
224	N	92.3	Very high	90.1	Very high	100 Å²	100	91.7 Å²	91.7	54%	0.535	49%	0.486	S	S	.	.	H	α-helix	trans	-61.8	-36.1	173.7	-73.4	-17.7	0	0	0	112.5	T220 E221 G228	T220-N224 WeakPolarHBondContact O-CB 3.06Å; T220-N224 VanDerWaalsContact O-CG 3.26Å; T220-N224 PolarHBondContact O-N 3.15Å; T220-N224 PolarHBondContact O-ND2 2.82Å; E221-N224 PolarHBondContact O-N 2.65Å; N224-G228 PolarHBondContact O-N 3.39Å
225	R	92.9	Very high	90	Very high	167 Å²	167	93.5 Å²	93.5	63%	0.63	49%	0.49	S	S	*	.	H	α-helix	trans	-66.9	-38.3	172.6	-72.9	174.4	-170	135.6	16.3	112.1	E221 A222 S223 G228 A229	E221-R225 WeakPolarHBondContact O-CG 3.38Å; E221-R225 PolarHBondContact O-N 3.26Å; E221-R225 IonicContact OE2-CZ 3.46Å; E221-R225 IonicContact OE2-NH1 3.3Å; E221-R225 IonicContact OE2-NH2 3.03Å; E221-R225 PolarHBondContact OE2-NH2 2.85Å; A222-R225 PolarHBondContact O-N 2.87Å; S223-R225 VanDerWaalsContact C-N 3.31Å; S223-R225 PolarHBondContact O-N 2.63Å; R225-G228 PolarHBondContact O-N 3.13Å; R225-A229 PolarHBondContact O-N 3.47Å
226	Q	88.1	Confident	89.8	Confident	132 Å²	132	93.4 Å²	93.4	62%	0.617	49%	0.489	S	S	*	.	H	α-helix	trans	-64.4	-47.6	174	-72.8	174.1	-32	0	0	111.7	A222 S223 G228 A229 S230	A222-Q226 WeakPolarHBondContact O-CG 3.09Å; A222-Q226 PolarHBondContact O-N 3.28Å; S223-Q226 WeakPolarHBondContact O-CB 3.32Å; S223-Q226 PolarHBondContact O-N 3.32Å; S223-Q226 VanDerWaalsContact O-N 3.1Å; Q226-G228 VanDerWaalsContact C-N 3.28Å; Q226-G228 PolarHBondContact O-N 2.99Å; Q226-A229 WeakPolarHBondContact O-CA 3.37Å; Q226-A229 WeakPolarHBondContact O-CB 3.36Å; Q226-A229 PolarHBondContact O-N 3.12Å; Q226-S230 PolarHBondContact O-N 3.28Å; Q226-S230 PolarHBondContact O-OG 2.82Å
227	I	88.2	Confident	89.6	Confident	89 Å²	89	93.2 Å²	93.2	46%	0.456	49%	0.488	S	S	.	.	H	α-helix	trans	-57	-44.3	174.2	-65.3	164	0	0	0	110.3	S223 A229 S230 N231	S223-I227 WeakPolarHBondContact O-CG1 3.43Å; S223-I227 PolarHBondContact O-N 2.99Å; I227-A229 VanDerWaalsContact C-N 3.26Å; I227-A229 PolarHBondContact O-N 2.87Å; I227-S230 PolarHBondContact O-N 3.31Å; I227-N231 WeakPolarHBondContact O-CB 3.5Å; I227-N231 VanDerWaalsContact O-CG 3.27Å; I227-N231 PolarHBondContact O-N 2.83Å; I227-N231 PolarHBondContact O-OD1 2.97Å
228	G	88.9	Confident	89.4	Confident	23 Å²	23	93.2 Å²	93.2	24%	0.237	49%	0.488	C	S	.	.	H	α-helix	trans	-64.8	-22.7	174.4	0	0	0	0	0	114.7	N224 R225 Q226 R232	N224-G228 PolarHBondContact O-N 3.39Å; R225-G228 PolarHBondContact O-N 3.13Å; Q226-G228 VanDerWaalsContact C-N 3.28Å; Q226-G228 PolarHBondContact O-N 2.99Å; G228-R232 WeakPolarHBondContact O-CG 3.48Å; G228-R232 PolarHBondContact O-NH1 3.28Å
229	A	86	Confident	89.3	Confident	54 Å²	54	92.1 Å²	92.1	45%	0.446	48%	0.484	S	S	.	.	H	α-helix	trans	-79.4	-48.7	171.9	0	0	0	0	0	110.8	R225 Q226 I227 N231 R232 Q233	R225-A229 PolarHBondContact O-N 3.47Å; Q226-A229 WeakPolarHBondContact O-CA 3.37Å; Q226-A229 WeakPolarHBondContact O-CB 3.36Å; Q226-A229 PolarHBondContact O-N 3.12Å; I227-A229 VanDerWaalsContact C-N 3.26Å; I227-A229 PolarHBondContact O-N 2.87Å; A229-N231 VanDerWaalsContact C-N 3.28Å; A229-N231 PolarHBondContact O-N 3.16Å; A229-R232 WeakPolarHBondContact O-CB 3.37Å; A229-R232 PolarHBondContact O-N 3.42Å; A229-Q233 PolarHBondContact O-N 3.43Å
230	S	90	Very high	88.9	Confident	64 Å²	64	91.8 Å²	91.8	45%	0.448	48%	0.482	S	S	.	.	H	α-helix	trans	-55.5	-42.3	175.7	-56.7	0	0	0	0	112.2	Q226 I227 R232 Q233 T234	Q226-S230 PolarHBondContact O-N 3.28Å; Q226-S230 PolarHBondContact O-OG 2.82Å; I227-S230 PolarHBondContact O-N 3.31Å; S230-R232 VanDerWaalsContact C-N 3.28Å; S230-R232 PolarHBondContact O-N 3.01Å; S230-Q233 WeakPolarHBondContact O-CB 3.35Å; S230-Q233 PolarHBondContact O-N 3.02Å; S230-Q233 VanDerWaalsContact O-N 3.08Å; S230-T234 PolarHBondContact O-N 3.31Å; S230-T234 PolarHBondContact O-OG1 3.18Å
231	N	91.3	Very high	88.6	Confident	99 Å²	99	92.6 Å²	92.6	53%	0.529	49%	0.487	S	S	.	.	H	α-helix	trans	-66.7	-25.3	177.8	-71.1	-1.5	0	0	0	113.7	I227 A229 T234 D235	I227-N231 WeakPolarHBondContact O-CB 3.5Å; I227-N231 VanDerWaalsContact O-CG 3.27Å; I227-N231 PolarHBondContact O-N 2.83Å; I227-N231 PolarHBondContact O-OD1 2.97Å; A229-N231 VanDerWaalsContact C-N 3.28Å; A229-N231 PolarHBondContact O-N 3.16Å; N231-T234 WeakPolarHBondContact CA-OG1 3.5Å; N231-T234 PolarHBondContact O-OG1 3.18Å; N231-D235 WeakPolarHBondContact O-CB 3.36Å; N231-D235 PolarHBondContact O-N 3.23Å
232	R	92.1	Very high	88.3	Confident	176 Å²	176	92.6 Å²	92.6	66%	0.664	49%	0.487	S	S	*	.	H	α-helix	trans	-79.1	-32.2	170.8	-70.2	177.4	-176.6	100.8	-11.9	111.7	G228 A229 S230 A236	G228-R232 WeakPolarHBondContact O-CG 3.48Å; G228-R232 PolarHBondContact O-NH1 3.28Å; A229-R232 WeakPolarHBondContact O-CB 3.37Å; A229-R232 PolarHBondContact O-N 3.42Å; S230-R232 VanDerWaalsContact C-N 3.28Å; S230-R232 PolarHBondContact O-N 3.01Å; R232-A236 WeakPolarHBondContact O-CB 3.41Å; R232-A236 PolarHBondContact O-N 3.42Å
233	Q	85.1	Confident	88	Confident	141 Å²	141	92.8 Å²	92.8	66%	0.659	49%	0.488	S	S	*	.	H	α-helix	trans	-69.8	-40.5	176.4	-172.9	174.9	-8.9	0	0	111.6	A229 S230 A236 S237	A229-Q233 PolarHBondContact O-N 3.43Å; S230-Q233 WeakPolarHBondContact O-CB 3.35Å; S230-Q233 PolarHBondContact O-N 3.02Å; S230-Q233 VanDerWaalsContact O-N 3.08Å; Q233-A236 PolarHBondContact O-N 2.98Å; Q233-S237 PolarHBondContact O-N 2.88Å; Q233-S237 PolarHBondContact O-OG 3.15Å
234	T	85.1	Confident	87.7	Confident	78 Å²	78	93.2 Å²	93.2	48%	0.479	49%	0.491	S	S	.	.	H	α-helix	trans	-66.5	-42.1	174	52.5	0	0	0	0	112	S230 N231 A236 S237 N238	S230-T234 PolarHBondContact O-N 3.31Å; S230-T234 PolarHBondContact O-OG1 3.18Å; N231-T234 WeakPolarHBondContact CA-OG1 3.5Å; N231-T234 PolarHBondContact O-OG1 3.18Å; T234-A236 VanDerWaalsContact C-N 3.34Å; T234-A236 PolarHBondContact O-N 3.02Å; T234-S237 PolarHBondContact O-N 3.07Å; T234-N238 WeakPolarHBondContact O-CB 3.37Å; T234-N238 PolarHBondContact O-N 2.96Å; T234-N238 PolarHBondContact O-OD1 3.25Å
235	D	89.3	Confident	87.2	Confident	63 Å²	63	91.4 Å²	91.4	34%	0.337	49%	0.487	S	S	.	.	H	α-helix	trans	-58.5	-42.5	171.3	179.2	-144.4	0	0	0	112	N231 N238 R239	N231-D235 WeakPolarHBondContact O-CB 3.36Å; N231-D235 PolarHBondContact O-N 3.23Å; D235-N238 PolarHBondContact O-N 3.4Å; D235-R239 VanDerWaalsContact CG-CZ 3.44Å; D235-R239 WeakPolarHBondContact O-CG 3.18Å; D235-R239 PolarHBondContact O-N 3.09Å; D235-R239 IonicContact OD1-CZ 3.11Å; D235-R239 IonicContact OD1-NH1 3.25Å; D235-R239 PolarHBondContact OD1-NH1 3.18Å; D235-R239 IonicContact OD1-NH2 2.87Å; D235-R239 PolarHBondContact OD1-NH2 3.12Å; D235-R239 IonicContact OD2-CZ 3.86Å; D235-R239 IonicContact OD2-NE 2.79Å; D235-R239 IonicContact OD2-NH1 3.14Å; D235-R239 PolarHBondContact OD2-NH1 2.95Å; D235-R239 IonicContact OD2-NH2 3.81Å; D235-R239 PolarHBondContact OD2-NH2 3.2Å
236	A	84.7	Confident	86.9	Confident	46 Å²	46	91 Å²	91	38%	0.38	49%	0.486	S	S	.	.	H	α-helix	trans	-63.5	-43.4	173.8	0	0	0	0	0	113	R232 Q233 T234 R239 Q240	R232-A236 WeakPolarHBondContact O-CB 3.41Å; R232-A236 PolarHBondContact O-N 3.42Å; Q233-A236 PolarHBondContact O-N 2.98Å; T234-A236 VanDerWaalsContact C-N 3.34Å; T234-A236 PolarHBondContact O-N 3.02Å; A236-R239 PolarHBondContact O-N 3.25Å; A236-Q240 WeakPolarHBondContact O-CG 3.18Å; A236-Q240 PolarHBondContact O-N 3.09Å
237	S	89.1	Confident	86.4	Confident	55 Å²	55	91.3 Å²	91.3	39%	0.385	49%	0.487	S	S	.	.	H	α-helix	trans	-64.2	-37.8	173.9	-73.4	0	0	0	0	112.6	Q233 T234 Q240 T241	Q233-S237 PolarHBondContact O-N 2.88Å; Q233-S237 PolarHBondContact O-OG 3.15Å; T234-S237 PolarHBondContact O-N 3.07Å; S237-Q240 WeakPolarHBondContact O-CB 3.22Å; S237-Q240 PolarHBondContact O-N 2.7Å; S237-Q240 VanDerWaalsContact O-N 3.14Å; S237-T241 PolarHBondContact O-N 2.58Å; S237-T241 PolarHBondContact O-OG1 3.39Å
238	N	89.6	Confident	85.9	Confident	94 Å²	94	91.7 Å²	91.7	50%	0.503	49%	0.494	S	S	.	.	H	α-helix	trans	-64.7	-40.3	175.4	-69	-12	0	0	0	111.6	T234 D235 Q240 T241 E242	T234-N238 WeakPolarHBondContact O-CB 3.37Å; T234-N238 PolarHBondContact O-N 2.96Å; T234-N238 PolarHBondContact O-OD1 3.25Å; D235-N238 PolarHBondContact O-N 3.4Å; N238-Q240 VanDerWaalsContact C-N 3.29Å; N238-Q240 PolarHBondContact O-N 3.24Å; N238-T241 PolarHBondContact O-N 3.08Å; N238-T241 PolarHBondContact O-OG1 2.77Å; N238-E242 PolarHBondContact O-N 3.11Å
239	R	90	Very high	85.6	Confident	147 Å²	147	94.9 Å²	94.9	56%	0.555	50%	0.502	S	S	*	.	H	α-helix	trans	-64.2	-32.8	171.7	-69.6	-170.1	-171.5	95.8	15.2	112.7	D235 A236 A243	D235-R239 VanDerWaalsContact CG-CZ 3.44Å; D235-R239 WeakPolarHBondContact O-CG 3.18Å; D235-R239 PolarHBondContact O-N 3.09Å; D235-R239 IonicContact OD1-CZ 3.11Å; D235-R239 IonicContact OD1-NH1 3.25Å; D235-R239 PolarHBondContact OD1-NH1 3.18Å; D235-R239 IonicContact OD1-NH2 2.87Å; D235-R239 PolarHBondContact OD1-NH2 3.12Å; D235-R239 IonicContact OD2-CZ 3.86Å; D235-R239 IonicContact OD2-NE 2.79Å; D235-R239 IonicContact OD2-NH1 3.14Å; D235-R239 PolarHBondContact OD2-NH1 2.95Å; D235-R239 IonicContact OD2-NH2 3.81Å; D235-R239 PolarHBondContact OD2-NH2 3.2Å; A236-R239 PolarHBondContact O-N 3.25Å; R239-A243 WeakPolarHBondContact O-CB 3.5Å; R239-A243 PolarHBondContact O-N 2.84Å
240	Q	82.6	Confident	85.1	Confident	129 Å²	129	94.6 Å²	94.6	60%	0.603	50%	0.5	S	S	*	.	H	α-helix	trans	-70	-39.8	173.9	-73.4	175.4	-21.6	0	0	112.3	A236 S237 N238 A243 S244	A236-Q240 WeakPolarHBondContact O-CG 3.18Å; A236-Q240 PolarHBondContact O-N 3.09Å; S237-Q240 WeakPolarHBondContact O-CB 3.22Å; S237-Q240 PolarHBondContact O-N 2.7Å; S237-Q240 VanDerWaalsContact O-N 3.14Å; N238-Q240 VanDerWaalsContact C-N 3.29Å; N238-Q240 PolarHBondContact O-N 3.24Å; Q240-A243 PolarHBondContact O-N 3.13Å; Q240-S244 WeakPolarHBondContact O-CB 3.06Å; Q240-S244 PolarHBondContact O-N 2.88Å; Q240-S244 PolarHBondContact O-OG 2.58Å; Q240-S244 VanDerWaalsContact O-OG 3.14Å
241	T	82.4	Confident	84.6	Confident	90 Å²	90	94.6 Å²	94.6	55%	0.552	50%	0.5	S	S	*	.	H	α-helix	trans	-69.2	-36.2	175.4	55.9	0	0	0	0	112	S237 N238 S244 S245	S237-T241 PolarHBondContact O-N 2.58Å; S237-T241 PolarHBondContact O-OG1 3.39Å; N238-T241 PolarHBondContact O-N 3.08Å; N238-T241 PolarHBondContact O-OG1 2.77Å; T241-S244 PolarHBondContact O-N 3.34Å; T241-S245 PolarHBondContact O-N 3.15Å; T241-S245 PolarHBondContact O-OG 3.34Å
242	E	86.7	Confident	84.1	Confident	96 Å²	96	92.7 Å²	92.7	45%	0.449	49%	0.494	S	S	.	.	H	α-helix	trans	-63.2	-40	168.5	-82	-166.3	-134.8	0	0	113.3	N238 S245 R246	N238-E242 PolarHBondContact O-N 3.11Å; E242-S245 PolarHBondContact O-OG 3.5Å; E242-S245 VanDerWaalsContact O-OG 3.07Å; E242-R246 WeakPolarHBondContact O-CB 3.38Å; E242-R246 WeakPolarHBondContact O-CD 3.34Å; E242-R246 WeakPolarHBondContact O-CG 3.48Å; E242-R246 PolarHBondContact O-N 2.74Å; E242-R246 IonicContact OE2-CZ 3.64Å; E242-R246 IonicContact OE2-NE 2.77Å; E242-R246 IonicContact OE2-NH2 2.69Å; E242-R246 PolarHBondContact OE2-NH2 3.4Å
243	A	81.4	Confident	83.6	Confident	48 Å²	48	91.7 Å²	91.7	40%	0.397	49%	0.49	S	S	.	.	H	α-helix	trans	-65.2	-43.8	176.6	0	0	0	0	0	111.1	R239 Q240 R246 Q247	R239-A243 WeakPolarHBondContact O-CB 3.5Å; R239-A243 PolarHBondContact O-N 2.84Å; Q240-A243 PolarHBondContact O-N 3.13Å; A243-R246 PolarHBondContact O-N 2.97Å; A243-Q247 WeakPolarHBondContact O-CG 3.4Å; A243-Q247 PolarHBondContact O-N 3.35Å
244	S	85.4	Confident	83.1	Confident	66 Å²	66	91.6 Å²	91.6	46%	0.462	49%	0.49	S	S	.	.	H	α-helix	trans	-64.1	-40.5	175.9	-65.7	0	0	0	0	112.8	Q240 T241 Q247 T248	Q240-S244 WeakPolarHBondContact O-CB 3.06Å; Q240-S244 PolarHBondContact O-N 2.88Å; Q240-S244 PolarHBondContact O-OG 2.58Å; Q240-S244 VanDerWaalsContact O-OG 3.14Å; T241-S244 PolarHBondContact O-N 3.34Å; S244-Q247 WeakPolarHBondContact O-CB 3.33Å; S244-Q247 PolarHBondContact O-N 3.01Å; S244-T248 PolarHBondContact O-N 3.02Å
245	S	83.6	Confident	82.5	Confident	63 Å²	63	92.2 Å²	92.2	44%	0.441	49%	0.494	S	S	.	.	H	α-helix	trans	-68.2	-39	177.2	66.9	0	0	0	0	112.1	T241 E242 Q247 T248 E249	T241-S245 PolarHBondContact O-N 3.15Å; T241-S245 PolarHBondContact O-OG 3.34Å; E242-S245 PolarHBondContact O-OG 3.5Å; E242-S245 VanDerWaalsContact O-OG 3.07Å; S245-Q247 VanDerWaalsContact C-N 3.28Å; S245-Q247 PolarHBondContact O-N 3.4Å; S245-T248 PolarHBondContact O-N 3.08Å; S245-T248 PolarHBondContact O-OG1 3.1Å; S245-E249 WeakPolarHBondContact O-CB 3.17Å; S245-E249 PolarHBondContact O-N 3.39Å
246	R	86.6	Confident	81.9	Confident	159 Å²	159	93.6 Å²	93.6	60%	0.6	50%	0.498	S	S	*	.	H	α-helix	trans	-63.7	-33.4	171.4	-66.8	167.6	-163.2	-141.3	9.8	112.1	E242 A243 A250	E242-R246 WeakPolarHBondContact O-CB 3.38Å; E242-R246 WeakPolarHBondContact O-CD 3.34Å; E242-R246 WeakPolarHBondContact O-CG 3.48Å; E242-R246 PolarHBondContact O-N 2.74Å; E242-R246 IonicContact OE2-CZ 3.64Å; E242-R246 IonicContact OE2-NE 2.77Å; E242-R246 IonicContact OE2-NH2 2.69Å; E242-R246 PolarHBondContact OE2-NH2 3.4Å; A243-R246 PolarHBondContact O-N 2.97Å; R246-A250 WeakPolarHBondContact O-CB 3.46Å; R246-A250 PolarHBondContact O-N 2.92Å
247	Q	77.4	Confident	81.3	Confident	137 Å²	137	93.8 Å²	93.8	64%	0.64	50%	0.5	S	S	*	.	H	α-helix	trans	-69.4	-40.9	172.8	-77.5	-178.9	-10.4	0	0	112.6	A243 S244 S245 E249 A250 S251	A243-Q247 WeakPolarHBondContact O-CG 3.4Å; A243-Q247 PolarHBondContact O-N 3.35Å; S244-Q247 WeakPolarHBondContact O-CB 3.33Å; S244-Q247 PolarHBondContact O-N 3.01Å; S245-Q247 VanDerWaalsContact C-N 3.28Å; S245-Q247 PolarHBondContact O-N 3.4Å; Q247-E249 VanDerWaalsContact C-N 3.32Å; Q247-E249 PolarHBondContact O-N 3.18Å; Q247-A250 PolarHBondContact O-N 3.28Å; Q247-S251 WeakPolarHBondContact O-CB 3.36Å; Q247-S251 PolarHBondContact O-N 2.87Å
248	T	76.6	Confident	80.6	Confident	98 Å²	98	94.1 Å²	94.1	60%	0.601	50%	0.502	S	S	*	.	H	α-helix	trans	-67	-34.5	174.6	57.7	0	0	0	0	111.8	S244 S245 S251 S252	S244-T248 PolarHBondContact O-N 3.02Å; S245-T248 PolarHBondContact O-N 3.08Å; S245-T248 PolarHBondContact O-OG1 3.1Å; T248-S251 PolarHBondContact O-N 3.03Å; T248-S252 PolarHBondContact O-N 3.49Å; T248-S252 PolarHBondContact O-OG 2.94Å
249	E	82.4	Confident	79.9	Confident	90 Å²	90	92.4 Å²	92.4	42%	0.421	50%	0.498	S	S	.	.	H	α-helix	trans	-69.8	-39.3	173.2	-158	-160.4	153.6	0	0	112.7	S245 Q247 S251 S252 R253	S245-E249 WeakPolarHBondContact O-CB 3.17Å; S245-E249 PolarHBondContact O-N 3.39Å; Q247-E249 VanDerWaalsContact C-N 3.32Å; Q247-E249 PolarHBondContact O-N 3.18Å; E249-S251 VanDerWaalsContact C-N 3.31Å; E249-S251 PolarHBondContact O-N 3.02Å; E249-S252 PolarHBondContact O-N 3.13Å; E249-S252 PolarHBondContact O-OG 2.83Å; E249-R253 WeakPolarHBondContact O-CB 3.45Å; E249-R253 WeakPolarHBondContact O-CD 3.41Å; E249-R253 WeakPolarHBondContact O-CG 3.17Å; E249-R253 PolarHBondContact O-N 3.35Å; E249-R253 IonicContact OE1-CZ 3.17Å; E249-R253 IonicContact OE1-NE 2.89Å; E249-R253 PolarHBondContact OE1-NE 3.49Å; E249-R253 IonicContact OE1-NH2 2.65Å; E249-R253 PolarHBondContact OE1-NH2 3Å
250	A	76.4	Confident	79.2	Confident	48 Å²	48	92.8 Å²	92.8	40%	0.397	50%	0.499	S	S	.	.	H	α-helix	trans	-63.5	-39.6	172.4	0	0	0	0	0	111.5	R246 Q247 R253 Q254	R246-A250 WeakPolarHBondContact O-CB 3.46Å; R246-A250 PolarHBondContact O-N 2.92Å; Q247-A250 PolarHBondContact O-N 3.28Å; A250-R253 PolarHBondContact O-N 3.21Å; A250-Q254 WeakPolarHBondContact O-CG 3Å; A250-Q254 PolarHBondContact O-N 2.8Å
251	S	80.2	Confident	78.6	Confident	63 Å²	63	93.1 Å²	93.1	44%	0.441	50%	0.501	S	S	.	.	H	α-helix	trans	-67.3	-42	175.9	-171.3	0	0	0	0	112.2	Q247 T248 E249 Q254 T255	Q247-S251 WeakPolarHBondContact O-CB 3.36Å; Q247-S251 PolarHBondContact O-N 2.87Å; T248-S251 PolarHBondContact O-N 3.03Å; E249-S251 VanDerWaalsContact C-N 3.31Å; E249-S251 PolarHBondContact O-N 3.02Å; S251-Q254 WeakPolarHBondContact O-CB 3.47Å; S251-Q254 PolarHBondContact O-N 2.94Å; S251-Q254 VanDerWaalsContact O-N 3.14Å; S251-T255 PolarHBondContact O-N 3.22Å
252	S	79.7	Confident	78	Confident	59 Å²	59	93 Å²	93	41%	0.413	50%	0.5	S	S	.	.	H	α-helix	trans	-67.2	-37.5	174.8	68.5	0	0	0	0	112.4	T248 E249 Q254 T255 E256	T248-S252 PolarHBondContact O-N 3.49Å; T248-S252 PolarHBondContact O-OG 2.94Å; E249-S252 PolarHBondContact O-N 3.13Å; E249-S252 PolarHBondContact O-OG 2.83Å; S252-Q254 VanDerWaalsContact C-N 3.28Å; S252-Q254 PolarHBondContact O-N 3Å; S252-T255 WeakPolarHBondContact CA-OG1 3.49Å; S252-T255 PolarHBondContact O-N 2.68Å; S252-T255 PolarHBondContact O-OG1 2.85Å; S252-E256 WeakPolarHBondContact O-CB 3.24Å; S252-E256 PolarHBondContact O-N 3.12Å
253	R	82.5	Confident	77.3	Confident	156 Å²	156	92.8 Å²	92.8	59%	0.589	50%	0.499	S	S	*	.	H	α-helix	trans	-63.2	-33.1	170.6	-71.1	164.2	176.9	-120.8	9.2	111.9	E249 A250 A257	E249-R253 WeakPolarHBondContact O-CB 3.45Å; E249-R253 WeakPolarHBondContact O-CD 3.41Å; E249-R253 WeakPolarHBondContact O-CG 3.17Å; E249-R253 PolarHBondContact O-N 3.35Å; E249-R253 IonicContact OE1-CZ 3.17Å; E249-R253 IonicContact OE1-NE 2.89Å; E249-R253 PolarHBondContact OE1-NE 3.49Å; E249-R253 IonicContact OE1-NH2 2.65Å; E249-R253 PolarHBondContact OE1-NH2 3Å; A250-R253 PolarHBondContact O-N 3.21Å; R253-A257 WeakPolarHBondContact O-CB 3.48Å; R253-A257 PolarHBondContact O-N 3.13Å
254	Q	72.9	Confident	76.6	Confident	138 Å²	138	92.9 Å²	92.9	65%	0.645	50%	0.499	S	S	*	.	H	α-helix	trans	-71.9	-40.6	172.8	-78.4	-179.3	-8.6	0	0	112.7	A250 S251 S252 E256 A257 S258	A250-Q254 WeakPolarHBondContact O-CG 3Å; A250-Q254 PolarHBondContact O-N 2.8Å; S251-Q254 WeakPolarHBondContact O-CB 3.47Å; S251-Q254 PolarHBondContact O-N 2.94Å; S251-Q254 VanDerWaalsContact O-N 3.14Å; S252-Q254 VanDerWaalsContact C-N 3.28Å; S252-Q254 PolarHBondContact O-N 3Å; Q254-E256 VanDerWaalsContact C-N 3.31Å; Q254-A257 PolarHBondContact O-N 2.81Å; Q254-S258 VanDerWaalsContact O-CB 3.32Å; Q254-S258 WeakPolarHBondContact O-CB 3.49Å; Q254-S258 PolarHBondContact O-N 2.95Å
255	T	72.5	Confident	75.9	Confident	92 Å²	92	92.5 Å²	92.5	56%	0.564	50%	0.497	S	S	*	.	H	α-helix	trans	-68.7	-31.2	174.2	59.9	0	0	0	0	111.9	S251 S252 S259	S251-T255 PolarHBondContact O-N 3.22Å; S252-T255 WeakPolarHBondContact CA-OG1 3.49Å; S252-T255 PolarHBondContact O-N 2.68Å; S252-T255 PolarHBondContact O-OG1 2.85Å; T255-S259 WeakPolarHBondContact O-CB 3.46Å; T255-S259 PolarHBondContact O-N 2.94Å; T255-S259 PolarHBondContact O-OG 2.98Å
256	E	77.4	Confident	75.1	Confident	91 Å²	91	92.8 Å²	92.8	43%	0.425	50%	0.499	S	S	.	.	H	α-helix	trans	-71.5	-38.8	171.2	-157.4	-160.8	149.5	0	0	112.5	S252 Q254 S258 S259 R260	S252-E256 WeakPolarHBondContact O-CB 3.24Å; S252-E256 PolarHBondContact O-N 3.12Å; Q254-E256 VanDerWaalsContact C-N 3.31Å; E256-S258 VanDerWaalsContact C-N 3.32Å; E256-S259 WeakPolarHBondContact CA-OG 3.16Å; E256-S259 PolarHBondContact O-N 3.23Å; E256-S259 PolarHBondContact O-OG 2.98Å; E256-S259 VanDerWaalsContact O-OG 3.05Å; E256-R260 WeakPolarHBondContact O-CB 3.5Å; E256-R260 WeakPolarHBondContact O-CD 3.44Å; E256-R260 WeakPolarHBondContact O-CG 3.39Å; E256-R260 PolarHBondContact O-N 3.27Å; E256-R260 IonicContact OE1-CZ 3.15Å; E256-R260 IonicContact OE1-NE 2.83Å; E256-R260 PolarHBondContact OE1-NE 2.93Å; E256-R260 IonicContact OE1-NH2 2.66Å; E256-R260 PolarHBondContact OE1-NH2 3.41Å
257	A	71.8	Confident	74.2	Confident	51 Å²	51	92.7 Å²	92.7	42%	0.421	50%	0.498	S	S	.	.	H	α-helix	trans	-63.7	-40.1	172.1	0	0	0	0	0	111.5	R253 Q254 R260 Q261	R253-A257 WeakPolarHBondContact O-CB 3.48Å; R253-A257 PolarHBondContact O-N 3.13Å; Q254-A257 PolarHBondContact O-N 2.81Å; A257-R260 PolarHBondContact O-N 3.31Å; A257-Q261 WeakPolarHBondContact O-CG 3.33Å; A257-Q261 PolarHBondContact O-N 3.04Å
258	S	74.3	Confident	73.3	Confident	62 Å²	62	92.8 Å²	92.8	43%	0.434	50%	0.499	S	S	.	.	H	α-helix	trans	-66.8	-41.4	174.5	-174.7	0	0	0	0	112.1	Q254 E256 Q261 T262	Q254-S258 VanDerWaalsContact O-CB 3.32Å; Q254-S258 WeakPolarHBondContact O-CB 3.49Å; Q254-S258 PolarHBondContact O-N 2.95Å; E256-S258 VanDerWaalsContact C-N 3.32Å; S258-Q261 CarbonylContact O-C 3.4Å; S258-Q261 WeakPolarHBondContact O-CB 3.47Å; S258-Q261 PolarHBondContact O-N 3.37Å; S258-Q261 VanDerWaalsContact O-N 3.13Å; S258-T262 PolarHBondContact O-N 3Å; S258-T262 PolarHBondContact O-OG1 3.28Å
259	S	74.4	Confident	72.5	Confident	58 Å²	58	93.6 Å²	93.6	41%	0.406	50%	0.499	S	S	.	.	H	α-helix	trans	-68.4	-34.7	175	72.2	0	0	0	0	112.3	T255 E256 Q261 T262 E263	T255-S259 WeakPolarHBondContact O-CB 3.46Å; T255-S259 PolarHBondContact O-N 2.94Å; T255-S259 PolarHBondContact O-OG 2.98Å; E256-S259 WeakPolarHBondContact CA-OG 3.16Å; E256-S259 PolarHBondContact O-N 3.23Å; E256-S259 PolarHBondContact O-OG 2.98Å; E256-S259 VanDerWaalsContact O-OG 3.05Å; S259-Q261 VanDerWaalsContact C-N 3.33Å; S259-T262 WeakPolarHBondContact CA-OG1 3.45Å; S259-T262 PolarHBondContact O-N 3.28Å; S259-T262 PolarHBondContact O-OG1 2.93Å; S259-T262 VanDerWaalsContact O-OG1 3.12Å; S259-E263 VanDerWaalsContact O-CB 3.26Å; S259-E263 WeakPolarHBondContact O-CB 3.32Å; S259-E263 PolarHBondContact O-N 3.03Å
260	R	75.7	Confident	71.3	Confident	155 Å²	155	95.7 Å²	95.7	59%	0.585	51%	0.508	S	S	*	.	H	α-helix	trans	-65.9	-32.6	169	-71.2	164.1	177.6	-116.8	8.5	112.1	E256 A257 A264	E256-R260 WeakPolarHBondContact O-CB 3.5Å; E256-R260 WeakPolarHBondContact O-CD 3.44Å; E256-R260 WeakPolarHBondContact O-CG 3.39Å; E256-R260 PolarHBondContact O-N 3.27Å; E256-R260 IonicContact OE1-CZ 3.15Å; E256-R260 IonicContact OE1-NE 2.83Å; E256-R260 PolarHBondContact OE1-NE 2.93Å; E256-R260 IonicContact OE1-NH2 2.66Å; E256-R260 PolarHBondContact OE1-NH2 3.41Å; A257-R260 PolarHBondContact O-N 3.31Å; R260-A264 WeakPolarHBondContact O-CB 3.42Å; R260-A264 PolarHBondContact O-N 3.05Å
261	Q	70.1	Confident	70.2	Confident	135 Å²	135	96.8 Å²	96.8	63%	0.631	52%	0.517	S	S	*	.	H	α-helix	trans	-73.3	-37.3	172.6	-80.8	-176	-29.8	0	0	113.2	A257 S258 S259 S265	A257-Q261 WeakPolarHBondContact O-CG 3.33Å; A257-Q261 PolarHBondContact O-N 3.04Å; S258-Q261 CarbonylContact O-C 3.4Å; S258-Q261 WeakPolarHBondContact O-CB 3.47Å; S258-Q261 PolarHBondContact O-N 3.37Å; S258-Q261 VanDerWaalsContact O-N 3.13Å; S259-Q261 VanDerWaalsContact C-N 3.33Å; Q261-S265 VanDerWaalsContact O-CB 3.31Å; Q261-S265 WeakPolarHBondContact O-CB 3.48Å; Q261-S265 PolarHBondContact O-N 2.74Å; Q261-S265 PolarHBondContact O-OG 2.91Å
262	T	70.3	Confident	68.9	Low	88 Å²	88	97.9 Å²	97.9	54%	0.54	53%	0.525	S	S	.	.	H	α-helix	trans	-73.8	-32.2	172.9	59.5	0	0	0	0	111.5	S258 S259 S266	S258-T262 PolarHBondContact O-N 3Å; S258-T262 PolarHBondContact O-OG1 3.28Å; S259-T262 WeakPolarHBondContact CA-OG1 3.45Å; S259-T262 PolarHBondContact O-N 3.28Å; S259-T262 PolarHBondContact O-OG1 2.93Å; S259-T262 VanDerWaalsContact O-OG1 3.12Å; T262-S266 WeakPolarHBondContact O-CB 3.25Å; T262-S266 PolarHBondContact O-N 3.12Å
263	E	71.1	Confident	67.3	Low	92 Å²	92	97.3 Å²	97.3	43%	0.43	52%	0.524	S	S	.	.	H	α-helix	trans	-68.8	-40.6	170	-161.4	-165	149.1	0	0	111.5	S259 S266 R267	S259-E263 VanDerWaalsContact O-CB 3.26Å; S259-E263 WeakPolarHBondContact O-CB 3.32Å; S259-E263 PolarHBondContact O-N 3.03Å; E263-S266 CarbonylContact O-C 3.48Å; E263-S266 PolarHBondContact O-N 2.88Å; E263-R267 WeakPolarHBondContact O-CB 3.42Å; E263-R267 VanDerWaalsContact O-CG 3.24Å; E263-R267 WeakPolarHBondContact O-CG 3.33Å; E263-R267 PolarHBondContact O-N 3.46Å; E263-R267 IonicContact OE1-CZ 3.15Å; E263-R267 IonicContact OE1-NE 2.8Å; E263-R267 PolarHBondContact OE1-NE 2.98Å; E263-R267 IonicContact OE1-NH2 2.67Å; E263-R267 PolarHBondContact OE1-NH2 3.34Å
264	A	68.3	Low	65.3	Low	49 Å²	49	93.5 Å²	93.5	41%	0.405	53%	0.526	S	S	.	.	H	α-helix	trans	-64.5	-42.9	173.6	0	0	0	0	0	111.9	R260 S266 R267 Q268	R260-A264 WeakPolarHBondContact O-CB 3.42Å; R260-A264 PolarHBondContact O-N 3.05Å; A264-S266 VanDerWaalsContact C-N 3.34Å; A264-R267 CarbonylContact O-C 3.33Å; A264-R267 PolarHBondContact O-N 3.5Å; A264-Q268 WeakPolarHBondContact O-CG 3.21Å; A264-Q268 PolarHBondContact O-N 2.75Å
265	S	69.8	Low	63.8	Low	59 Å²	59	91.3 Å²	91.3	41%	0.413	53%	0.531	S	S	.	.	H	α-helix	trans	-61.5	-42.2	171.4	-59	0	0	0	0	111.3	Q261 R267 Q268 I269	Q261-S265 VanDerWaalsContact O-CB 3.31Å; Q261-S265 WeakPolarHBondContact O-CB 3.48Å; Q261-S265 PolarHBondContact O-N 2.74Å; Q261-S265 PolarHBondContact O-OG 2.91Å; S265-R267 VanDerWaalsContact C-N 3.33Å; S265-R267 PolarHBondContact O-N 2.94Å; S265-Q268 PolarHBondContact O-N 3.27Å; S265-I269 VanDerWaalsContact O-CG1 3.28Å; S265-I269 WeakPolarHBondContact O-CG1 3.37Å; S265-I269 PolarHBondContact O-N 3.44Å
266	S	66.9	Low	62.3	Low	68 Å²	68	92.3 Å²	92.3	48%	0.476	54%	0.537	S	S	.	.	H	α-helix	trans	-65.4	-35.3	176	-168.6	0	0	0	0	111.8	T262 E263 A264 I269 E270	T262-S266 WeakPolarHBondContact O-CB 3.25Å; T262-S266 PolarHBondContact O-N 3.12Å; E263-S266 CarbonylContact O-C 3.48Å; E263-S266 PolarHBondContact O-N 2.88Å; A264-S266 VanDerWaalsContact C-N 3.34Å; S266-I269 CarbonylContact O-C 3.58Å; S266-I269 PolarHBondContact O-N 2.95Å; S266-E270 VanDerWaalsContact O-CB 3.24Å; S266-E270 WeakPolarHBondContact O-CB 3.33Å; S266-E270 PolarHBondContact O-N 3.28Å
267	R	66.6	Low	60.1	Low	157 Å²	157	98.7 Å²	98.7	59%	0.592	56%	0.557	S	S	*	*	H	α-helix	trans	-72.3	-29.7	172.6	-73.3	166.3	178.3	-108.3	8.4	112.6	E263 A264 S265 A271	E263-R267 WeakPolarHBondContact O-CB 3.42Å; E263-R267 VanDerWaalsContact O-CG 3.24Å; E263-R267 WeakPolarHBondContact O-CG 3.33Å; E263-R267 PolarHBondContact O-N 3.46Å; E263-R267 IonicContact OE1-CZ 3.15Å; E263-R267 IonicContact OE1-NE 2.8Å; E263-R267 PolarHBondContact OE1-NE 2.98Å; E263-R267 IonicContact OE1-NH2 2.67Å; E263-R267 PolarHBondContact OE1-NH2 3.34Å; A264-R267 CarbonylContact O-C 3.33Å; A264-R267 PolarHBondContact O-N 3.5Å; S265-R267 VanDerWaalsContact C-N 3.33Å; S265-R267 PolarHBondContact O-N 2.94Å; R267-A271 VanDerWaalsContact O-CB 3.24Å; R267-A271 WeakPolarHBondContact O-CB 3.35Å; R267-A271 PolarHBondContact O-N 3.39Å
268	Q	59.7	Low	58.8	Low	139 Å²	139	101.4 Å²	101.4	65%	0.65	57%	0.57	S	S	*	*	H	α-helix	trans	-71.5	-39.1	168.7	-75.2	-176.2	-12.1	0	0	111.6	A264 S265 E270 A271 S272	A264-Q268 WeakPolarHBondContact O-CG 3.21Å; A264-Q268 PolarHBondContact O-N 2.75Å; S265-Q268 PolarHBondContact O-N 3.27Å; Q268-E270 VanDerWaalsContact C-N 3.34Å; Q268-A271 PolarHBondContact O-N 3.01Å; Q268-S272 WeakPolarHBondContact O-CB 3.36Å; Q268-S272 PolarHBondContact O-N 2.96Å; Q268-S272 PolarHBondContact O-OG 3.49Å
269	I	59.8	Low	56.7	Low	116 Å²	116	108 Å²	108	60%	0.595	59%	0.591	S	S	*	*	H	α-helix	trans	-66	-38.3	171.5	-67.6	162.2	0	0	0	110.1	S265 S266 S272 A273	S265-I269 VanDerWaalsContact O-CG1 3.28Å; S265-I269 WeakPolarHBondContact O-CG1 3.37Å; S265-I269 PolarHBondContact O-N 3.44Å; S266-I269 CarbonylContact O-C 3.58Å; S266-I269 PolarHBondContact O-N 2.95Å; I269-S272 CarbonylContact O-C 3.02Å; I269-S272 WeakPolarHBondContact O-CB 3.32Å; I269-S272 PolarHBondContact O-N 3.31Å; I269-A273 VanDerWaalsContact O-CB 3.23Å; I269-A273 WeakPolarHBondContact O-CB 3.49Å; I269-A273 PolarHBondContact O-N 2.66Å
270	E	57.9	Low	54.7	Low	134 Å²	134	114.9 Å²	114.9	63%	0.626	61%	0.614	S	S	*	*	H	α-helix	trans	-73.4	-34.3	176.9	-170.3	172.3	-146.1	0	0	112	S266 Q268 S272 A273 A274	S266-E270 VanDerWaalsContact O-CB 3.24Å; S266-E270 WeakPolarHBondContact O-CB 3.33Å; S266-E270 PolarHBondContact O-N 3.28Å; Q268-E270 VanDerWaalsContact C-N 3.34Å; E270-S272 VanDerWaalsContact C-N 3.32Å; E270-A273 CarbonylContact O-C 3.59Å; E270-A273 PolarHBondContact O-N 3.06Å; E270-A274 WeakPolarHBondContact O-CB 3.37Å; E270-A274 PolarHBondContact O-N 3.16Å
271	A	52.9	Low	53	Low	71 Å²	71	113 Å²	113	59%	0.587	62%	0.622	S	S	*	*	H	α-helix	trans	-65.7	-35.9	168.2	0	0	0	0	0	111.8	R267 Q268	R267-A271 VanDerWaalsContact O-CB 3.24Å; R267-A271 WeakPolarHBondContact O-CB 3.35Å; R267-A271 PolarHBondContact O-N 3.39Å; Q268-A271 PolarHBondContact O-N 3.01Å
272	S	51.7	Low	51.4	Low	86 Å²	86	118.5 Å²	118.5	60%	0.601	64%	0.636	S	S	*	*	H	α-helix	trans	-71.4	-36.1	173	-54.3	0	0	0	0	112	Q268 I269 E270 A275	Q268-S272 WeakPolarHBondContact O-CB 3.36Å; Q268-S272 PolarHBondContact O-N 2.96Å; Q268-S272 PolarHBondContact O-OG 3.49Å; I269-S272 CarbonylContact O-C 3.02Å; I269-S272 WeakPolarHBondContact O-CB 3.32Å; I269-S272 PolarHBondContact O-N 3.31Å; E270-S272 VanDerWaalsContact C-N 3.32Å; S272-A275 WeakPolarHBondContact O-CB 3.47Å; S272-A275 PolarHBondContact O-N 3.3Å
273	A	46	Very low	49.3	Very low	47 Å²	47	117.8 Å²	117.8	39%	0.388	65%	0.647	S	S	.	*	H	α-helix	trans	-83.1	-12.3	176.9	0	0	0	0	0	113.2	I269 E270 A275 V276	I269-A273 VanDerWaalsContact O-CB 3.23Å; I269-A273 WeakPolarHBondContact O-CB 3.49Å; I269-A273 PolarHBondContact O-N 2.66Å; E270-A273 CarbonylContact O-C 3.59Å; E270-A273 PolarHBondContact O-N 3.06Å; A273-A275 PolarHBondContact O-N 3.42Å; A273-V276 CarbonylContact O-C 3.09Å; A273-V276 WeakPolarHBondContact O-CA 3.39Å; A273-V276 PolarHBondContact O-N 3.18Å; A273-V276 VanDerWaalsContact O-O 3.11Å
274	A	41.1	Very low	47.3	Very low	76 Å²	76	124 Å²	124	63%	0.628	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-24.2	168.4	0	0	0	0	0	111.4	E270 V276	E270-A274 WeakPolarHBondContact O-CB 3.37Å; E270-A274 PolarHBondContact O-N 3.16Å; A274-V276 VanDerWaalsContact C-N 3.29Å
275	A	40.8	Very low	45.4	Very low	91 Å²	91	131.9 Å²	131.9	75%	0.752	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.2	-14.2	167.3	0	0	0	0	0	113.7	S272 A273	S272-A275 WeakPolarHBondContact O-CB 3.47Å; S272-A275 PolarHBondContact O-N 3.3Å; A273-A275 PolarHBondContact O-N 3.42Å
276	V	42.6	Very low	43.5	Very low	113 Å²	113	132.1 Å²	132.1	69%	0.685	71%	0.709	S	S	*	*	S	Bend	trans	-136.4	76.7	-176.8	-167.5	0	0	0	0	111.9	A273 A274	A273-V276 CarbonylContact O-C 3.09Å; A273-V276 WeakPolarHBondContact O-CA 3.39Å; A273-V276 PolarHBondContact O-N 3.18Å; A273-V276 VanDerWaalsContact O-O 3.11Å; A274-V276 VanDerWaalsContact C-N 3.29Å
277	R	29.9	Very low	41.6	Very low	225 Å²	225	136.1 Å²	136.1	85%	0.849	73%	0.725	S	S	*	*			trans	-62.2	165	161.2	-81.9	-178.4	164.7	-166	-1.6	111.1
278	P	44.6	Very low	39.8	Very low	108 Å²	108	134.7 Å²	134.7	70%	0.701	73%	0.729	S	S	*	*			cis	-140.8	163.5	13.6	28.5	-4.1	0	0	0	119.3
279	K	29.6	Very low	38.3	Very low	200 Å²	200	137.3 Å²	137.3	87%	0.87	74%	0.738	S	S	*	*			trans	59.5	117.5	141.1	-69.6	176.2	179.3	179.2	0	122.9
280	K	34.3	Very low	36.7	Very low	204 Å²	204	135.1 Å²	135.1	89%	0.887	74%	0.744	S	S	*	*			trans	-14.4	145.6	140	-88.2	176.5	175.2	170.4	0	117.1
281	P	39.1	Very low	35.8	Very low	115 Å²	115	133.8 Å²	133.8	75%	0.747	75%	0.75	S	S	*	*				-146.2	145.1	96.6	38.4	-23.4	0	0	0	119
282	R	35.7	Very low	34.6	Very low	250 Å²	250	138 Å²	138	94%	0.943	76%	0.762	S	S	*	*			trans	30.7	105.9	139.8	-54.1	170.8	97.1	174.2	6.4	120.5
283	G	26.5	Very low	33.7	Very low	73 Å²	73	139 Å²	139	75%	0.753	77%	0.769	S	S	*	*			trans	-124	124.3	136.9	0	0	0	0	0	107.5
284	K	30	Very low	32.7	Very low	222 Å²	222	141.6 Å²	141.6	97%	0.965	79%	0.791	S	S	*	*				68.4	100.3	59	-151.6	174.4	-172.4	-177.8	0	111.5
285	K	28.7	Very low	32.2	Very low	216 Å²	216	143.7 Å²	143.7	94%	0.939	80%	0.801	S	S	*	*			trans	-102.5	133.7	-170.6	-177.3	-175.7	-175	-178	0	110
286	G	28.9	Very low	31.9	Very low	63 Å²	63	148 Å²	148	65%	0.649	81%	0.806	S	S	*	*			trans	165.3	138.7	169.3	0	0	0	0	0	114.1
287	N	26.5	Very low	32.2	Very low	153 Å²	153	148 Å²	148	82%	0.818	81%	0.808	S	S	*	*			trans	66.9	142	166.8	-71.3	11.9	0	0	0	117.9
288	N	29.3	Very low	32.1	Very low	127 Å²	127	141.7 Å²	141.7	68%	0.679	80%	0.798	S	S	*	*			cis	-161.8	165.6	-19.3	-139.7	-24.1	0	0	0	112.9
289	K	29.5	Very low	31.3	Very low	194 Å²	194	144.9 Å²	144.9	84%	0.843	80%	0.804	S	S	*	*			trans	55.5	127.2	155	-74.5	-174.6	173.1	-176	0	122.1
290	G	26.3	Very low	31.2	Very low	69 Å²	69	139.6 Å²	139.6	71%	0.711	80%	0.797	S	S	*	*			trans	111.2	136	138.5	0	0	0	0	0	115.7
291	S	38.4	Very low	32.2	Very low	107 Å²	107	135.4 Å²	135.4	75%	0.748	79%	0.791	S	S	*	*			cis	-158.6	175.5	-6.5	-76.3	0	0	0	0	109.8
292	N	28.3	Very low	32.5	Very low	159 Å²	159	135.7 Å²	135.7	85%	0.85	79%	0.793	S	S	*	*			trans	78.1	142.4	168.8	-58.4	-3.6	0	0	0	116.3
293	S	31.3	Very low	32.2	Very low	106 Å²	106	127.7 Å²	127.7	74%	0.741	78%	0.78	S	S	*	*			cis	-161.7	149.2	-8.5	43	0	0	0	0	113
294	A	25.7	Very low	32.2	Very low	103 Å²	103	131.6 Å²	131.6	85%	0.851	78%	0.782	S	S	*	*			trans	47.2	126.4	148	0	0	0	0	0	120.8
295	S	30.4	Very low	32.3	Very low	120 Å²	120	130 Å²	130	84%	0.839	78%	0.778	S	S	*	*			trans	-143.1	147.8	165.1	59	0	0	0	0	111.9
296	E	35	Very low	32.2	Very low	181 Å²	181	125.6 Å²	125.6	85%	0.846	77%	0.77	S	S	*	*			trans	-58.8	177.3	166.5	-73.5	-177.9	134.4	0	0	112.6
297	P	47.7	Very low	32.2	Very low	114 Å²	114	129.5 Å²	129.5	74%	0.74	78%	0.781	S	S	*	*			cis	-159.1	-168.6	41.3	45.6	-21.5	0	0	0	121.2
298	S	28.9	Very low	32.3	Very low	92 Å²	92	127.9 Å²	127.9	64%	0.643	78%	0.776	S	S	*	*			trans	75.7	150.8	154.7	-64.8	0	0	0	0	120.4
299	E	27.8	Very low	32.6	Very low	175 Å²	175	129.9 Å²	129.9	82%	0.818	79%	0.787	S	S	*	*			cis	-174	163	-17.1	-106.3	167.1	87.8	0	0	109.3
300	A	27.4	Very low	32.8	Very low	88 Å²	88	129.3 Å²	129.3	73%	0.727	79%	0.787	S	S	*	*			cis	-155.2	-81.6	-34.9	0	0	0	0	0	116.2
301	P	54.6	Low	32.9	Very low	116 Å²	116	130.4 Å²	130.4	75%	0.753	79%	0.789	S	S	*	*			trans	-127.8	-179.5	-155.3	41.2	-21.2	0	0	0	115.5
302	P	45.3	Very low	32.6	Very low	121 Å²	121	133.8 Å²	133.8	79%	0.786	80%	0.798	S	S	*	*			cis	-155	179.7	38.6	46.3	-23.7	0	0	0	122
303	A	29.6	Very low	32.6	Very low	83 Å²	83	131.3 Å²	131.3	69%	0.686	79%	0.793	S	S	*	*			trans	81.6	113.8	140.8	0	0	0	0	0	125.6
304	I	27.7	Very low	32.4	Very low	154 Å²	154	133 Å²	133	79%	0.79	80%	0.799	S	S	*	*				67.4	117.1	126.2	-57.9	169	0	0	0	121.7
305	Q	31.4	Very low	32.7	Very low	190 Å²	190	132.5 Å²	132.5	89%	0.888	79%	0.785	S	S	*	*				-157	165	116	-123.3	-176.4	30.7	0	0	113.2
306	T	27.1	Very low	32.6	Very low	123 Å²	123	133 Å²	133	76%	0.755	78%	0.783	S	S	*	*			trans	-132.7	145.6	-165.4	53.8	0	0	0	0	113.9
307	V	27.9	Very low	32.4	Very low	145 Å²	145	134.9 Å²	134.9	88%	0.879	78%	0.782	S	S	*	*			trans	-139.5	146	154.3	-177	0	0	0	0	108.4
308	T	29.7	Very low	31.6	Very low	119 Å²	119	137.3 Å²	137.3	73%	0.73	79%	0.787	S	S	*	*			trans	-90.5	150.7	-169.3	45.8	0	0	0	0	114.1
309	N	34.9	Very low	31.5	Very low	168 Å²	168	144.4 Å²	144.4	90%	0.898	80%	0.8	S	S	*	*			trans	-106.7	129	163.5	-80.9	-63.2	0	0	0	109.3
310	H	32.7	Very low	31.6	Very low	183 Å²	183	147.6 Å²	147.6	85%	0.847	80%	0.804	S	S	*	*			trans	-121.3	125.7	169.8	-106.4	-79.6	0	0	0	110.3
311	A	28.8	Very low	31.6	Very low	91 Å²	91	146.6 Å²	146.6	75%	0.752	80%	0.802	S	S	*	*			trans	-91.7	139	176.1	0	0	0	0	0	111.2
312	L	33	Very low	30.3	Very low	179 Å²	179	146.4 Å²	146.4	94%	0.937	80%	0.804	S	S	*	*			trans	-137.2	116.9	160.1	-77.9	-179.2	0	0	0	110
313	S	27.5	Very low	29.5	Very low	106 Å²	106	152.4 Å²	152.4	74%	0.741	81%	0.811	S	S	*	*			trans	-90.7	123.7	178.1	49.7	0	0	0	0	111.4	T315	S313-T315 PolarHBondContact O-N 3.03Å
314	V	28.3	Very low	29.4	Very low	143 Å²	143	152.5 Å²	152.5	87%	0.867	81%	0.812	S	S	*	*			trans	-80.7	103.2	173.1	179.7	0	0	0	0	109.3
315	T	30.7	Very low	29.4	Very low	92 Å²	92	156.9 Å²	156.9	56%	0.564	82%	0.818	S	S	*	*			trans	-85.4	114.9	178.5	-53.1	0	0	0	0	110.7	S313 R317	S313-T315 PolarHBondContact O-N 3.03Å; T315-R317 HydrophobicContact CG2-CG 4.16Å; T315-R317 PolarHBondContact O-N 3.24Å
316	V	28	Very low	29.2	Very low	131 Å²	131	158.1 Å²	158.1	79%	0.794	82%	0.821	S	S	*	*			trans	-73.2	125.3	168.3	178.2	0	0	0	0	109.4
317	R	31.8	Very low	29.4	Very low	220 Å²	220	157.2 Å²	157.2	83%	0.83	83%	0.826	S	S	*	*			trans	-129.2	118.1	169.3	-77.1	-172.4	172.6	128.7	-1.9	111.2	T315	T315-R317 HydrophobicContact CG2-CG 4.16Å; T315-R317 PolarHBondContact O-N 3.24Å
318	I	30.8	Very low	29.4	Very low	165 Å²	165	155.1 Å²	155.1	85%	0.846	82%	0.823	S	S	*	*			trans	-75.1	135.4	169	-61.1	171	0	0	0	108.3
319	R	27.5	Very low	29.5	Very low	241 Å²	241	156.7 Å²	156.7	91%	0.909	83%	0.828	S	S	*	*			trans	-131	120.5	170.7	-178.1	170	168.5	156.2	-4.9	111.5
320	R	29.1	Very low	29.4	Very low	242 Å²	242	158.3 Å²	158.3	91%	0.913	83%	0.827	S	S	*	*			trans	-95.5	138.8	173.8	-179.7	178.4	175.2	-176.8	-1.5	109
321	G	26.7	Very low	29.7	Very low	66 Å²	66	156.7 Å²	156.7	68%	0.68	82%	0.824	S	S	*	*			trans	177.4	155	-180	0	0	0	0	0	111.6
322	S	28.4	Very low	29.9	Very low	113 Å²	113	163.4 Å²	163.4	79%	0.79	83%	0.83	S	S	*	*			trans	-153	167.1	-166.3	-53.2	0	0	0	0	114
323	R	29	Very low	29.8	Very low	247 Å²	247	159.5 Å²	159.5	93%	0.932	82%	0.824	S	S	*	*			trans	72.2	138	169.8	-59.1	178.3	174.9	178.9	-1.8	115.4
324	A	26.6	Very low	30.3	Very low	85 Å²	85	160.2 Å²	160.2	70%	0.702	82%	0.824	S	S	*	*			cis	179	176.5	-1.9	0	0	0	0	0	108.5
325	R	27.8	Very low	30.7	Very low	246 Å²	246	161.5 Å²	161.5	93%	0.928	82%	0.82	S	S	*	*			trans	62.6	102.7	161.2	-65.6	-176.7	176.1	-174	-1.5	119.3
326	K	27.4	Very low	31	Very low	215 Å²	215	163 Å²	163	94%	0.935	84%	0.835	S	S	*	*				-150.2	120	111	-118.1	176.8	-177.7	178.6	0	110.2
327	A	30.3	Very low	31.3	Very low	105 Å²	105	165.7 Å²	165.7	87%	0.868	84%	0.839	S	S	*	*			trans	-128.5	96	175.6	0	0	0	0	0	108.2
328	A	29.2	Very low	31.5	Very low	100 Å²	100	159 Å²	159	83%	0.826	83%	0.83	S	S	*	*			trans	-164.6	104.3	172.8	0	0	0	0	0	109.4
329	N	30.9	Very low	31.6	Very low	153 Å²	153	160.1 Å²	160.1	82%	0.818	83%	0.832	S	S	*	*			trans	153.2	73.8	141	-167	13.3	0	0	0	111.2
330	K	32.7	Very low	32.2	Very low	202 Å²	202	156 Å²	156	88%	0.878	83%	0.826	S	S	*	*			trans	-148.6	41.4	165.2	-155.9	-173.5	174.1	178.5	0	112.5
331	N	39.2	Very low	32.5	Very low	149 Å²	149	148.3 Å²	148.3	80%	0.797	81%	0.814	S	S	*	*			trans	-136.1	67.3	172.3	-86.6	-0.9	0	0	0	109.2
332	R	32.4	Very low	32.9	Very low	232 Å²	232	153 Å²	153	88%	0.875	82%	0.818	S	S	*	*	S	Bend	trans	-159.6	47.3	166.2	-149	174.3	-168.6	175.5	3.8	113.1
333	A	32.4	Very low	33.2	Very low	97 Å²	97	156.7 Å²	156.7	80%	0.802	82%	0.823	S	S	*	*	S	Bend	trans	-145.5	17.7	178.1	0	0	0	0	0	112.9
334	T	37.9	Very low	33.5	Very low	121 Å²	121	147.5 Å²	147.5	74%	0.742	81%	0.805	S	S	*	*	S	Bend	trans	-142.3	30.4	-167.1	50.6	0	0	0	0	111.9
335	E	34.9	Very low	33.8	Very low	170 Å²	170	146.1 Å²	146.1	79%	0.794	79%	0.794	S	S	*	*	S	Bend	trans	-147.4	20.4	-170.4	-142.6	162.6	-128.1	0	0	112.7
336	S	37.2	Very low	34.2	Very low	124 Å²	124	142.1 Å²	142.1	87%	0.867	79%	0.786	S	S	*	*	S	Bend	trans	-135.5	20	179.7	-47.6	0	0	0	0	112.6
337	Q	35.9	Very low	34.4	Very low	187 Å²	187	135.4 Å²	135.4	87%	0.874	77%	0.77	S	S	*	*	S	Bend	trans	-139.5	28.2	-179.5	-151.2	165.9	21.6	0	0	112.2
338	A	34.5	Very low	34.9	Very low	78 Å²	78	133.6 Å²	133.6	65%	0.645	75%	0.751	S	S	*	*	S	Bend	trans	-111.5	-9.4	178.6	0	0	0	0	0	113.9
339	Q	34.1	Very low	35.2	Very low	190 Å²	190	135.4 Å²	135.4	89%	0.888	74%	0.743	S	S	*	*	S	Bend	trans	-108.7	16	-174	-73.8	-176.9	-39.7	0	0	114.8
340	I	40.1	Very low	35.4	Very low	153 Å²	153	131.5 Å²	131.5	79%	0.785	73%	0.731	S	S	*	*	S	Bend	trans	-114.3	-14.2	176.1	-61.4	177.4	0	0	0	111.7
341	A	34.3	Very low	35.9	Very low	81 Å²	81	125.3 Å²	125.3	67%	0.669	71%	0.714	S	S	*	*	S	Bend	trans	-80.3	-22.4	-177	0	0	0	0	0	114.4
342	E	34.7	Very low	36.1	Very low	164 Å²	164	121.6 Å²	121.6	77%	0.766	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-14.9	-161.8	-155.8	156.9	-141.4	0	0	114.5
343	Q	36.6	Very low	36.7	Very low	191 Å²	191	113.7 Å²	113.7	89%	0.893	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-6	174.6	-68.9	-174.5	-15.3	0	0	113.9
344	G	33.4	Very low	37.1	Very low	54 Å²	54	112.4 Å²	112.4	56%	0.557	66%	0.663	S	S	*	*	S	Bend	trans	-87.5	-22.8	179.2	0	0	0	0	0	115
345	A	33.7	Very low	37.2	Very low	56 Å²	56	109.3 Å²	109.3	46%	0.463	64%	0.641	S	S	.	*	S	Bend	trans	-72.3	-46.8	-169.4	0	0	0	0	0	113.5	A347 S348	A345-A347 PolarHBondContact O-N 3.38Å; A345-A347 VanDerWaalsContact O-N 3.17Å; A345-S348 VanDerWaalsContact O-CB 3.23Å; A345-S348 WeakPolarHBondContact O-CB 3.38Å; A345-S348 PolarHBondContact O-N 3.47Å
346	Q	35.4	Very low	37.5	Very low	163 Å²	163	105.7 Å²	105.7	76%	0.762	63%	0.625	S	S	*	*	H	α-helix	trans	-70.1	-15.4	-169.9	-65.9	-170.1	-38.6	0	0	114.6	S348	Q346-S348 VanDerWaalsContact C-N 3.35Å
347	A	33.5	Very low	37.9	Very low	74 Å²	74	105.3 Å²	105.3	61%	0.612	62%	0.617	S	S	*	*	H	α-helix	trans	-78.3	-19.5	170.4	0	0	0	0	0	113.2	A345 S351	A345-A347 PolarHBondContact O-N 3.38Å; A345-A347 VanDerWaalsContact O-N 3.17Å; A347-S351 PolarHBondContact O-OG 3.39Å; A347-S351 VanDerWaalsContact O-OG 3.13Å
348	S	40	Very low	38.4	Very low	67 Å²	67	101.6 Å²	101.6	47%	0.469	60%	0.6	S	S	.	*	H	α-helix	trans	-79.3	-48.6	-177.1	-168.4	0	0	0	0	112	A345 Q346 A350 S351	A345-S348 VanDerWaalsContact O-CB 3.23Å; A345-S348 WeakPolarHBondContact O-CB 3.38Å; A345-S348 PolarHBondContact O-N 3.47Å; Q346-S348 VanDerWaalsContact C-N 3.35Å; S348-A350 PolarHBondContact O-N 3.06Å; S348-S351 VanDerWaalsContact O-CB 3.29Å; S348-S351 WeakPolarHBondContact O-CB 3.46Å; S348-S351 PolarHBondContact O-N 3.35Å
349	E	34.9	Very low	38.7	Very low	138 Å²	138	99.9 Å²	99.9	65%	0.645	58%	0.581	S	S	*	*	H	α-helix	trans	-64.8	-40.6	-172.3	-63.7	178	120.5	0	0	112.6	S351 I352 S353	E349-S351 PolarHBondContact O-N 3Å; E349-I352 PolarHBondContact O-N 3.45Å; E349-S353 PolarHBondContact O-N 2.87Å
350	A	36.6	Very low	39.2	Very low	70 Å²	70	94.1 Å²	94.1	58%	0.579	57%	0.566	S	S	*	*	H	α-helix	trans	-62.4	-22.4	174.2	0	0	0	0	0	113.6	S348 I352	S348-A350 PolarHBondContact O-N 3.06Å; A350-I352 VanDerWaalsContact C-N 3.33Å
351	S	43.2	Very low	39.3	Very low	72 Å²	72	90 Å²	90	50%	0.503	55%	0.554	S	S	.	*	H	α-helix	trans	-81.3	-13.1	176.1	-60.8	0	0	0	0	113.3	A347 S348 E349	A347-S351 PolarHBondContact O-OG 3.39Å; A347-S351 VanDerWaalsContact O-OG 3.13Å; S348-S351 VanDerWaalsContact O-CB 3.29Å; S348-S351 WeakPolarHBondContact O-CB 3.46Å; S348-S351 PolarHBondContact O-N 3.35Å; E349-S351 PolarHBondContact O-N 3Å
352	I	42.7	Very low	39.6	Very low	71 Å²	71	89.1 Å²	89.1	36%	0.364	55%	0.548	S	S	.	.	H	α-helix	trans	-94.9	-42.9	-175.2	-64.5	169.7	0	0	0	110.9	E349 A350 A354 L355 E356	E349-I352 PolarHBondContact O-N 3.45Å; A350-I352 VanDerWaalsContact C-N 3.33Å; I352-A354 VanDerWaalsContact C-N 3.33Å; I352-A354 PolarHBondContact O-N 2.69Å; I352-L355 WeakPolarHBondContact O-CB 3.35Å; I352-L355 PolarHBondContact O-N 3.25Å; I352-E356 PolarHBondContact O-N 3.48Å
353	S	44.2	Very low	39.9	Very low	67 Å²	67	86 Å²	86	47%	0.469	54%	0.539	S	S	.	.	H	α-helix	trans	-62.7	-36.3	-178.8	57.7	0	0	0	0	113.5	E349 L355 E356	E349-S353 PolarHBondContact O-N 2.87Å; S353-L355 PolarHBondContact O-N 2.77Å; S353-E356 PolarHBondContact O-N 2.67Å
354	A	41.3	Very low	40.2	Very low	70 Å²	70	82.8 Å²	82.8	58%	0.579	52%	0.524	S	S	*	.	H	α-helix	trans	-64.7	-19	173.5	0	0	0	0	0	113.8	I352	I352-A354 VanDerWaalsContact C-N 3.33Å; I352-A354 PolarHBondContact O-N 2.69Å
355	L	40.9	Very low	40.6	Very low	55 Å²	55	83.3 Å²	83.3	29%	0.288	52%	0.523	S	S	.	.	H	α-helix	trans	-82.1	-29.1	177.7	-160.1	72.2	0	0	0	112.1	I352 S353 T357 Q358 V359 Q605	I352-L355 WeakPolarHBondContact O-CB 3.35Å; I352-L355 PolarHBondContact O-N 3.25Å; S353-L355 PolarHBondContact O-N 2.77Å; L355-T357 PolarHBondContact O-N 3.17Å; L355-Q358 PolarHBondContact O-N 3.28Å; L355-V359 HydrophobicContact CG-CG2 4.28Å; L355-Q605 HydrophobicContact CD1-CB 4.18Å; L355-Q605 HydrophobicContact CD1-CG 4Å; L355-Q605 HydrophobicContact CD2-CG 4.38Å
356	E	40.7	Very low	41.1	Very low	95 Å²	95	87.3 Å²	87.3	44%	0.444	54%	0.536	S	S	.	.	H	α-helix	trans	-66.8	-35.7	-168.6	-69.7	169.8	162.3	0	0	112.8	I352 S353 K538	I352-E356 PolarHBondContact O-N 3.48Å; S353-E356 PolarHBondContact O-N 2.67Å; E356-K538 WeakPolarHBondContact OE1-CE 3.4Å; E356-K538 IonicContact OE1-NZ 3.56Å; E356-K538 PolarHBondContact OE1-NZ 3.19Å
357	T	44.3	Very low	41.2	Very low	116 Å²	116	82.1 Å²	82.1	71%	0.712	52%	0.521	S	S	*	.	H	α-helix	trans	-75.9	-27.1	-178.7	-51.9	0	0	0	0	113.1	L355	L355-T357 PolarHBondContact O-N 3.17Å
358	Q	47	Very low	41.3	Very low	109 Å²	109	83.4 Å²	83.4	51%	0.509	52%	0.518	S	S	.	.	H	α-helix	trans	-91.2	-28.5	-171.8	-66.5	-163	42.9	0	0	114.7	L355	L355-Q358 PolarHBondContact O-N 3.28Å
359	V	42.1	Very low	41.1	Very low	42 Å²	42	85 Å²	85	26%	0.255	52%	0.521	S	S	.	.	H	α-helix	trans	-79.4	-38.8	-176.2	178.8	0	0	0	0	111.5	L355 A362 V363	L355-V359 HydrophobicContact CG-CG2 4.28Å; V359-A362 PolarHBondContact O-N 3.48Å; V359-V363 PolarHBondContact O-N 3.41Å
360	A	43	Very low	41.2	Very low	68 Å²	68	88 Å²	88	56%	0.562	53%	0.528	S	S	*	.	H	α-helix	trans	-61.5	-46.9	-179	0	0	0	0	0	112.8	A362 V363 Q364	A360-A362 VanDerWaalsContact C-N 3.31Å; A360-A362 PolarHBondContact O-N 2.75Å; A360-V363 PolarHBondContact O-N 3.39Å; A360-Q364 PolarHBondContact O-N 2.87Å
361	A	42.8	Very low	41.3	Very low	66 Å²	66	91.4 Å²	91.4	55%	0.545	54%	0.536	S	S	.	.	H	α-helix	trans	-62.1	-36.5	-179.7	0	0	0	0	0	113.1	A365	A361-A365 WeakPolarHBondContact O-CB 3.39Å; A361-A365 PolarHBondContact O-N 3.13Å; A361-A365 VanDerWaalsContact O-N 3.15Å
362	A	40.8	Very low	41.2	Very low	64 Å²	64	91.6 Å²	91.6	53%	0.529	54%	0.541	S	S	.	.	H	α-helix	trans	-72.3	-25.9	-179.2	0	0	0	0	0	113.6	V359 A360	V359-A362 PolarHBondContact O-N 3.48Å; A360-A362 VanDerWaalsContact C-N 3.31Å; A360-A362 PolarHBondContact O-N 2.75Å
363	V	41.2	Very low	40.8	Very low	97 Å²	97	95.4 Å²	95.4	59%	0.588	56%	0.558	S	S	*	*	H	α-helix	trans	-78.6	-39.6	175.6	175.3	0	0	0	0	110.9	V359 A360	V359-V363 PolarHBondContact O-N 3.41Å; A360-V363 PolarHBondContact O-N 3.39Å
364	Q	43	Very low	40.2	Very low	124 Å²	124	100.1 Å²	100.1	58%	0.579	58%	0.577	S	S	*	*	H	α-helix	trans	-69.3	-47.2	-179.8	-164.3	64.9	32.5	0	0	112.1	A360 L366 A367	A360-Q364 PolarHBondContact O-N 2.87Å; Q364-L366 PolarHBondContact O-N 3.14Å; Q364-L366 VanDerWaalsContact O-N 3.07Å; Q364-A367 WeakPolarHBondContact O-CB 3.18Å; Q364-A367 PolarHBondContact O-N 3.15Å
365	A	40.7	Very low	39.8	Very low	65 Å²	65	101.6 Å²	101.6	54%	0.537	58%	0.583	S	S	.	*	H	α-helix	trans	-62	-19.7	-179.3	0	0	0	0	0	114.1	A361 A367	A361-A365 WeakPolarHBondContact O-CB 3.39Å; A361-A365 PolarHBondContact O-N 3.13Å; A361-A365 VanDerWaalsContact O-N 3.15Å; A365-A367 VanDerWaalsContact C-N 3.32Å
366	L	44.5	Very low	39.2	Very low	141 Å²	141	106.8 Å²	106.8	74%	0.738	61%	0.61	S	S	*	*	H	α-helix	trans	-79.3	-13.4	176.1	-147.5	84.9	0	0	0	113.4	Q364	Q364-L366 PolarHBondContact O-N 3.14Å; Q364-L366 VanDerWaalsContact O-N 3.07Å
367	A	38.6	Very low	38.6	Very low	54 Å²	54	109.7 Å²	109.7	45%	0.446	62%	0.624	S	S	.	*	H	α-helix	trans	-85.5	-39.2	177.3	0	0	0	0	0	112.1	Q364 A365 Y370	Q364-A367 WeakPolarHBondContact O-CB 3.18Å; Q364-A367 PolarHBondContact O-N 3.15Å; A365-A367 VanDerWaalsContact C-N 3.32Å; A367-Y370 WeakPolarHBondContact O-CB 3.37Å; A367-Y370 PolarHBondContact O-N 3.31Å
368	D	35.2	Very low	38.2	Very low	100 Å²	100	109.3 Å²	109.3	54%	0.535	62%	0.623	S	S	.	*	H	α-helix	trans	-74.9	-36.5	-172.1	-58.1	-40.6	0	0	0	112.7	Y370 L371	D368-Y370 PolarHBondContact O-N 2.93Å; D368-Y370 VanDerWaalsContact O-N 3.16Å; D368-L371 PolarHBondContact O-N 2.87Å
369	D	34.6	Very low	37.2	Very low	100 Å²	100	109.1 Å²	109.1	54%	0.535	63%	0.63	S	S	.	*	G	3₁₀ helix	trans	-62	-22.4	176.4	-167.7	50.7	0	0	0	112.7	L371 A372	D369-L371 PolarHBondContact O-N 2.65Å; D369-A372 PolarHBondContact O-N 2.63Å
370	Y	37.6	Very low	36.3	Very low	202 Å²	202	114.2 Å²	114.2	79%	0.792	66%	0.661	S	S	*	*	G	3₁₀ helix	trans	-69.1	-18.8	179	-155	-95.8	0	0	0	113.5	A367 D368	A367-Y370 WeakPolarHBondContact O-CB 3.37Å; A367-Y370 PolarHBondContact O-N 3.31Å; D368-Y370 PolarHBondContact O-N 2.93Å; D368-Y370 VanDerWaalsContact O-N 3.16Å
371	L	39.7	Very low	35.4	Very low	142 Å²	142	121.5 Å²	121.5	74%	0.743	67%	0.674	S	S	*	*	G	3₁₀ helix	trans	-91.2	-11.4	179.3	-66.2	174.5	0	0	0	113.6	D368 D369	D368-L371 PolarHBondContact O-N 2.87Å; D369-L371 PolarHBondContact O-N 2.65Å
372	A	39.7	Very low	34.5	Very low	75 Å²	75	124.8 Å²	124.8	62%	0.62	69%	0.687	S	S	*	*	S	Bend	trans	-89	-18.2	-169.5	0	0	0	0	0	115.3	D369	D369-A372 PolarHBondContact O-N 2.63Å
373	Q	36	Very low	33.7	Very low	152 Å²	152	132.8 Å²	132.8	71%	0.71	70%	0.704	S	S	*	*			trans	-97.5	14.6	-165.4	-59.8	-175.7	11.8	0	0	115.1	S375	Q373-S375 PolarHBondContact O-N 3.14Å
374	L	31.3	Very low	32.9	Very low	165 Å²	165	131.8 Å²	131.8	86%	0.864	71%	0.713	S	S	*	*			trans	-90.7	37.3	-175.6	-95.4	168.1	0	0	0	114.4
375	S	31.6	Very low	32.2	Very low	102 Å²	102	135.4 Å²	135.4	71%	0.713	73%	0.727	S	S	*	*			trans	-146.7	140	-179.9	-128.7	0	0	0	0	115.6	Q373	Q373-S375 PolarHBondContact O-N 3.14Å
376	L	28.1	Very low	31.6	Very low	163 Å²	163	144.2 Å²	144.2	85%	0.853	75%	0.746	S	S	*	*			trans	75.2	94.8	165.8	-51.7	176.6	0	0	0	119.6
377	E	28.4	Very low	30.8	Very low	156 Å²	156	145.2 Å²	145.2	73%	0.729	75%	0.752	S	S	*	*			trans	-76.1	170.5	135.1	-100.4	-90.5	144.7	0	0	108.6	T379	E377-T379 PolarHBondContact OE2-N 2.68Å; E377-T379 VanDerWaalsContact OE2-N 3.16Å; E377-T379 PolarHBondContact OE2-OG1 2.66Å
378	P	37.1	Very low	30.4	Very low	109 Å²	109	154.7 Å²	154.7	71%	0.708	78%	0.777	S	S	*	*			cis	-147.4	158.8	28.6	42.9	-22.3	0	0	0	121.9
379	T	25.2	Very low	29.8	Very low	104 Å²	104	159.3 Å²	159.3	64%	0.638	79%	0.792	S	S	*	*			trans	58.8	131.4	133.6	-68.2	0	0	0	0	123.4	E377	E377-T379 PolarHBondContact OE2-N 2.68Å; E377-T379 VanDerWaalsContact OE2-N 3.16Å; E377-T379 PolarHBondContact OE2-OG1 2.66Å
380	T	23.9	Very low	29.5	Very low	149 Å²	149	159.6 Å²	159.6	91%	0.914	80%	0.802	S	S	*	*				-162.9	153.4	125	7.7	0	0	0	0	114
381	R	23.3	Very low	29	Very low	221 Å²	221	159.3 Å²	159.3	83%	0.834	81%	0.805	S	S	*	*			trans	-113.5	157	-162	81.8	-175.4	-172.5	-174.3	-1.8	115.6
382	T	23.6	Very low	28.5	Very low	135 Å²	135	160.7 Å²	160.7	83%	0.828	81%	0.807	S	S	*	*			trans	-175.8	144.5	134.7	26.1	0	0	0	0	108.8
383	R	24.1	Very low	28.5	Very low	233 Å²	233	163 Å²	163	88%	0.879	82%	0.816	S	S	*	*			cis	120.1	101.8	13.9	-174.5	-170.5	-172.6	-164.2	4.8	110.2
384	G	24.6	Very low	28	Very low	76 Å²	76	162.6 Å²	162.6	78%	0.784	82%	0.818	S	S	*	*			trans	-155.3	154.7	171.3	0	0	0	0	0	112.5
385	K	27.9	Very low	27.8	Very low	200 Å²	200	157.6 Å²	157.6	87%	0.87	81%	0.807	S	S	*	*			trans	-143.5	148.4	-178.1	-70	-173.8	175.5	-172.5	0	111.6
386	R	28.8	Very low	27.5	Very low	249 Å²	249	159.9 Å²	159.9	94%	0.94	81%	0.806	S	S	*	*				174	159.3	115.6	-96.6	167.3	174.3	154.4	-2	114.1
387	N	28.4	Very low	27.5	Very low	162 Å²	162	158.4 Å²	158.4	87%	0.866	80%	0.795	S	S	*	*			trans	-97.9	162.2	-178.5	-52.8	-10.6	0	0	0	112.2
388	R	28.4	Very low	27.6	Very low	254 Å²	254	160.4 Å²	160.4	96%	0.958	80%	0.796	S	S	*	*			trans	-153.3	169.5	131.8	-120.4	171.3	174	162.1	-2.8	111.8
389	K	24.3	Very low	27.2	Very low	196 Å²	196	162.5 Å²	162.5	85%	0.852	81%	0.807	S	S	*	*			trans	-149.1	168.8	-161.3	175.4	169.7	178.3	172.5	0	111.4
390	S	26.6	Very low	27.3	Very low	106 Å²	106	161 Å²	161	74%	0.741	81%	0.812	S	S	*	*			trans	94.1	152.9	163.9	87.5	0	0	0	0	115.6
391	K	28.4	Very low	27.7	Very low	197 Å²	197	160.6 Å²	160.6	86%	0.857	80%	0.804	S	S	*	*			cis	-158.8	157.8	-3.3	-139.7	177.5	-179.8	-172.4	0	110.7
392	H	27.9	Very low	27.9	Very low	171 Å²	171	158 Å²	158	79%	0.792	81%	0.807	S	S	*	*			trans	-77.7	162.4	161.4	-85.5	-92.6	0	0	0	111.8
393	P	39.8	Very low	28.3	Very low	123 Å²	123	161.5 Å²	161.5	80%	0.799	81%	0.806	S	S	*	*				-130.6	-172.8	110.4	39.2	-31.5	0	0	0	114.1
394	N	27.1	Very low	28.6	Very low	143 Å²	143	162.4 Å²	162.4	77%	0.765	81%	0.81	S	S	*	*			trans	-120.5	176.2	-174.6	-149.8	55	0	0	0	111.4	E396	N394-E396 PolarHBondContact ND2-OE2 3Å
395	G	25.3	Very low	28.8	Very low	61 Å²	61	169.6 Å²	169.6	63%	0.629	81%	0.813	S	S	*	*			trans	179.2	147.6	171.2	0	0	0	0	0	115.5
396	E	27.1	Very low	28.9	Very low	149 Å²	149	167.9 Å²	167.9	70%	0.696	81%	0.812	S	S	*	*			trans	-134.2	174	-167.2	-45.4	74.5	19.3	0	0	110.9	N394	N394-E396 PolarHBondContact ND2-OE2 3Å
397	E	27.6	Very low	29	Very low	133 Å²	133	161.5 Å²	161.5	62%	0.621	80%	0.802	S	S	*	*			cis	-153.9	-177.8	3.3	-149.7	-147.8	164.9	0	0	110.7
398	R	30.8	Very low	29.1	Very low	197 Å²	197	165.9 Å²	165.9	74%	0.743	81%	0.807	S	S	*	*			trans	31	114.5	154.6	-84.3	176.3	-179.7	122.7	-5.8	121.2
399	T	27.2	Very low	29.2	Very low	154 Å²	154	157.4 Å²	157.4	95%	0.945	80%	0.799	S	S	*	*			trans	-174.3	142.7	133.4	-80.9	0	0	0	0	108.1
400	G	27.2	Very low	29.5	Very low	71 Å²	71	158.9 Å²	158.9	73%	0.732	80%	0.799	S	S	*	*			cis	-178.5	173.4	-4	0	0	0	0	0	109.7
401	N	32.3	Very low	29.5	Very low	142 Å²	142	165.4 Å²	165.4	76%	0.759	81%	0.808	S	S	*	*			trans	-126.9	132.7	-172.2	-145.9	6.3	0	0	0	113.3
402	N	27.6	Very low	29.5	Very low	166 Å²	166	163 Å²	163	89%	0.888	80%	0.803	S	S	*	*			trans	-165.3	133.6	168.4	-112.5	-44.7	0	0	0	113
403	Y	33.6	Very low	29.7	Very low	208 Å²	208	159.7 Å²	159.7	82%	0.816	80%	0.797	S	S	*	*			trans	-111.5	131.7	179.7	-82.6	-95.3	0	0	0	112.4
404	R	29.1	Very low	29.6	Very low	253 Å²	253	158.9 Å²	158.9	96%	0.955	79%	0.792	S	S	*	*			trans	-152.4	150.2	151.4	-159.8	158.7	-85.7	-122.5	1.9	112.1
405	R	28.6	Very low	30.3	Very low	227 Å²	227	157.8 Å²	157.8	86%	0.857	79%	0.793	S	S	*	*			trans	-86.3	147.5	-163.3	-64.9	156.8	57.7	-136.3	3.4	114.5
406	I	31.1	Very low	31.8	Very low	164 Å²	164	161.1 Å²	161.1	84%	0.841	79%	0.786	S	S	*	*			trans	-130.2	150.6	148.9	-70.8	-173.9	0	0	0	107.7
407	P	31.6	Very low	33.6	Very low	114 Å²	114	159 Å²	159	74%	0.74	78%	0.78	S	S	*	*			trans	-76.4	167.3	-158.8	-20.6	35.6	0	0	0	118.3
408	W	29.8	Very low	35.7	Very low	254 Å²	254	154.6 Å²	154.6	96%	0.962	76%	0.762	S	S	*	*			trans	-67.6	139.7	-177.6	-61.1	86.3	0	0	0	113.7
409	G	31.1	Very low	37.9	Very low	77 Å²	77	148.8 Å²	148.8	79%	0.794	76%	0.756	S	S	*	*			trans	-153.2	-24.8	179.3	0	0	0	0	0	117.1
410	R	30.8	Very low	40.4	Very low	226 Å²	226	144.1 Å²	144.1	85%	0.853	73%	0.725	S	S	*	*			trans	-144.9	144.5	163.7	-82.2	-167.3	-178.7	-91.7	-1.4	110.5	L412	R410-L412 PolarHBondContact O-N 2.96Å
411	R	25.9	Very low	43	Very low	244 Å²	244	141.1 Å²	141.1	92%	0.921	69%	0.691	S	S	*	*			trans	-79.7	106.9	171.3	-162.7	-176.3	-155.9	-140.9	7.8	108.2
412	L	27.8	Very low	45.3	Very low	146 Å²	146	135.2 Å²	135.2	76%	0.764	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-65.9	148.1	160.4	-92.6	66.2	0	0	0	108.4	R410	R410-L412 PolarHBondContact O-N 2.96Å
413	P	32.8	Very low	47.9	Very low	101 Å²	101	131.7 Å²	131.7	66%	0.656	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-63.5	162.7	165.6	30.1	-34.6	0	0	0	110.5
414	P	36.8	Very low	50.3	Low	106 Å²	106	123.6 Å²	123.6	69%	0.688	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-57.9	163.6	176.1	-22.8	34.3	0	0	0	112.8	R416	P414-R416 PolarHBondContact O-N 3.46Å
415	P	41.7	Very low	53.1	Low	121 Å²	121	111.6 Å²	111.6	79%	0.786	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-51.2	127.6	171.2	-24.7	34.9	0	0	0	110.8	D417	P415-D417 PolarHBondContact O-N 3.4Å
416	R	56.4	Low	55.8	Low	131 Å²	131	102.1 Å²	102.1	49%	0.494	53%	0.527	S	S	.	.			trans	-80.8	110.7	172.7	-74.6	165	145.7	-82.9	5.7	107.5	P414 V418 E461	P414-R416 PolarHBondContact O-N 3.46Å; R416-V418 HydrophobicContact CB-CG2 4.26Å; R416-V418 PolarHBondContact O-N 3.49Å; R416-E461 IonicContact CZ-OE2 2.66Å; R416-E461 VanDerWaalsContact CZ-OE2 3.29Å; R416-E461 IonicContact NH1-OE1 2.73Å; R416-E461 PolarHBondContact NH1-OE1 2.92Å; R416-E461 IonicContact NH1-OE2 3.28Å; R416-E461 PolarHBondContact NH1-OE2 3.49Å; R416-E461 IonicContact NH2-OE2 3.1Å; R416-E461 PolarHBondContact NH2-OE2 3.32Å
417	D	65.3	Low	58.4	Low	105 Å²	105	99.1 Å²	99.1	56%	0.561	51%	0.508	S	S	*	.			trans	-72.8	78.1	167.8	-77.2	-38.4	0	0	0	109.9	P415 A419 I420 L421	P415-D417 PolarHBondContact O-N 3.4Å; D417-A419 PolarHBondContact O-N 3.35Å; D417-A419 VanDerWaalsContact O-N 3.12Å; D417-I420 HydrophobicContact CB-CB 4.2Å; D417-I420 HydrophobicContact CB-CD1 3.71Å; D417-I420 HydrophobicContact CB-CG1 3.9Å; D417-I420 PolarHBondContact O-N 2.9Å; D417-L421 PolarHBondContact O-N 3.36Å
418	V	73.4	Confident	61.1	Low	40 Å²	40	93.7 Å²	93.7	24%	0.242	47%	0.472	C	S	.	.	H	α-helix	trans	-52.7	-31.5	178.2	169.9	0	0	0	0	111.3	R416 Q422 R465 E649	R416-V418 HydrophobicContact CB-CG2 4.26Å; R416-V418 PolarHBondContact O-N 3.49Å; V418-Q422 WeakPolarHBondContact O-CB 3.47Å; V418-Q422 PolarHBondContact O-N 3Å; V418-R465 PolarHBondContact O-NH1 3.04Å; V418-E649 VanDerWaalsContact CG1-OE1 3.27Å; V418-E649 WeakPolarHBondContact CG1-OE1 3.31Å
419	A	75.4	Confident	63.9	Low	75 Å²	75	81.6 Å²	81.6	62%	0.62	43%	0.427	S	S	*	.	H	α-helix	trans	-65	-42.1	174.3	0	0	0	0	0	113.5	D417 Q422 E423	D417-A419 PolarHBondContact O-N 3.35Å; D417-A419 VanDerWaalsContact O-N 3.12Å; A419-Q422 WeakPolarHBondContact O-CB 3.33Å; A419-Q422 PolarHBondContact O-N 3.02Å; A419-E423 PolarHBondContact O-N 3.48Å
420	I	79.7	Confident	66.4	Low	56 Å²	56	80.6 Å²	80.6	29%	0.287	40%	0.4	S	S	.	.	H	α-helix	trans	-69.1	-41.9	179.4	-63.1	176.2	0	0	0	110.3	D417 Q422 E423 R424 Y455	D417-I420 HydrophobicContact CB-CB 4.2Å; D417-I420 HydrophobicContact CB-CD1 3.71Å; D417-I420 HydrophobicContact CB-CG1 3.9Å; D417-I420 PolarHBondContact O-N 2.9Å; I420-Q422 PolarHBondContact O-N 3.47Å; I420-E423 PolarHBondContact O-N 3.5Å; I420-R424 WeakPolarHBondContact O-CG 3.45Å; I420-R424 PolarHBondContact O-N 2.91Å; I420-Y455 HydrophobicContact CG2-CE1 3.82Å; I420-Y455 HydrophobicContact CG2-CE2 4.49Å
421	L	81.9	Confident	69.1	Low	7 Å²	7	71.4 Å²	71.4	4%	0.037	37%	0.366	C	S	.	.	H	α-helix	trans	-62.9	-34.2	173.7	-61.4	-178.4	0	0	0	111.6	D417 A425 Y455 Y458 E461 I462	D417-L421 PolarHBondContact O-N 3.36Å; L421-A425 WeakPolarHBondContact O-CB 3.45Å; L421-A425 PolarHBondContact O-N 2.9Å; L421-Y455 HydrophobicContact CD2-CD1 4.23Å; L421-Y458 HydrophobicContact CD1-CD1 3.96Å; L421-Y458 HydrophobicContact CD1-CG 4.5Å; L421-Y458 HydrophobicContact CD2-CD1 4.08Å; L421-Y458 HydrophobicContact CD2-CD2 4.38Å; L421-Y458 HydrophobicContact CD2-CG 3.79Å; L421-E461 WeakPolarHBondContact CD1-OE1 3.42Å; L421-I462 HydrophobicContact CD2-CD1 4.05Å; L421-I462 HydrophobicContact CD2-CG1 4.07Å
422	Q	80.9	Confident	72.1	Confident	18 Å²	18	59.8 Å²	59.8	8%	0.084	32%	0.322	C	S	.	.	H	α-helix	trans	-71.7	-41	174	-164.5	58.6	37.7	0	0	112.5	V418 A419 I420 R424 A425 N426 R465 A650	V418-Q422 WeakPolarHBondContact O-CB 3.47Å; V418-Q422 PolarHBondContact O-N 3Å; A419-Q422 WeakPolarHBondContact O-CB 3.33Å; A419-Q422 PolarHBondContact O-N 3.02Å; I420-Q422 PolarHBondContact O-N 3.47Å; Q422-R424 VanDerWaalsContact C-N 3.34Å; Q422-R424 PolarHBondContact O-N 3.45Å; Q422-A425 CarbonylContact O-C 3.59Å; Q422-A425 WeakPolarHBondContact O-CB 3.44Å; Q422-A425 PolarHBondContact O-N 2.91Å; Q422-A425 VanDerWaalsContact O-N 3.16Å; Q422-N426 PolarHBondContact NE2-OD1 3.37Å; Q422-N426 WeakPolarHBondContact O-CB 3.45Å; Q422-N426 PolarHBondContact O-N 3.46Å; Q422-N426 PolarHBondContact O-OD1 3.42Å; Q422-R465 VanDerWaalsContact OE1-NH1 3.17Å; Q422-A650 PolarHBondContact NE2-O 3.49Å
423	E	81.9	Confident	74.9	Confident	92 Å²	92	54.7 Å²	54.7	43%	0.43	30%	0.295	S	S	.	.	H	α-helix	trans	-60.9	-43.8	175.8	-164.9	-152.4	131.9	0	0	111.4	A419 I420 N426 K427	A419-E423 PolarHBondContact O-N 3.48Å; I420-E423 PolarHBondContact O-N 3.5Å; E423-N426 PolarHBondContact O-N 3.49Å; E423-K427 WeakPolarHBondContact O-CG 3.19Å; E423-K427 PolarHBondContact O-N 3.27Å; E423-K427 VanDerWaalsContact OE1-CE 3.22Å; E423-K427 WeakPolarHBondContact OE1-CE 3.33Å; E423-K427 IonicContact OE1-NZ 2.69Å; E423-K427 PolarHBondContact OE1-NZ 3.02Å
424	R	84.8	Confident	77.3	Confident	39 Å²	39	53.8 Å²	53.8	15%	0.147	29%	0.288	C	S	.	.	H	α-helix	trans	-64	-38.2	173.6	-68	-73.1	177	165.1	0.4	111.7	I420 Q422 K427 L428 V451 Y455 I462	I420-R424 WeakPolarHBondContact O-CG 3.45Å; I420-R424 PolarHBondContact O-N 2.91Å; Q422-R424 VanDerWaalsContact C-N 3.34Å; Q422-R424 PolarHBondContact O-N 3.45Å; R424-K427 PolarHBondContact O-N 3.43Å; R424-L428 WeakPolarHBondContact O-CB 3.37Å; R424-L428 PolarHBondContact O-N 3.43Å; R424-V451 PolarHBondContact NH1-O 3.17Å; R424-Y455 HydrophobicContact CG-CD2 4.28Å; R424-I462 HydrophobicContact CB-CD1 4.15Å; R424-I462 HydrophobicContact CB-CG2 4.27Å
425	A	86.8	Confident	79.6	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.5	-43	173.1	0	0	0	0	0	112.1	L421 Q422 K427 L428 V429 I462 R465 A466	L421-A425 WeakPolarHBondContact O-CB 3.45Å; L421-A425 PolarHBondContact O-N 2.9Å; Q422-A425 CarbonylContact O-C 3.59Å; Q422-A425 WeakPolarHBondContact O-CB 3.44Å; Q422-A425 PolarHBondContact O-N 2.91Å; Q422-A425 VanDerWaalsContact O-N 3.16Å; A425-K427 PolarHBondContact O-N 2.65Å; A425-L428 CarbonylContact O-C 3.59Å; A425-L428 WeakPolarHBondContact O-CA 3.49Å; A425-L428 WeakPolarHBondContact O-CB 3.33Å; A425-L428 PolarHBondContact O-N 3.35Å; A425-L428 VanDerWaalsContact O-N 3.12Å; A425-V429 WeakPolarHBondContact O-CG2 3.43Å; A425-V429 PolarHBondContact O-N 2.73Å; A425-I462 HydrophobicContact CB-CG2 4.2Å; A425-R465 HydrophobicContact CB-CB 3.68Å; A425-A466 HydrophobicContact CB-CB 4.33Å
426	N	85.3	Confident	81.6	Confident	28 Å²	28	47.5 Å²	47.5	15%	0.15	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-40.6	178.2	-64.9	4.7	0	0	0	111.3	Q422 E423 L428 V429 K430 W655	Q422-N426 PolarHBondContact NE2-OD1 3.37Å; Q422-N426 WeakPolarHBondContact O-CB 3.45Å; Q422-N426 PolarHBondContact O-N 3.46Å; Q422-N426 PolarHBondContact O-OD1 3.42Å; E423-N426 PolarHBondContact O-N 3.49Å; N426-L428 VanDerWaalsContact C-N 3.35Å; N426-V429 PolarHBondContact O-N 3.25Å; N426-K430 PolarHBondContact O-N 3.18Å; N426-K430 VanDerWaalsContact O-N 3.16Å; N426-W655 HydrophobicContact CB-CE3 4.16Å; N426-W655 HydrophobicContact CB-CH2 4.29Å; N426-W655 HydrophobicContact CB-CZ3 3.71Å; N426-W655 WeakPolarHBondContact OD1-CH2 3.37Å; N426-W655 VanDerWaalsContact OD1-CZ3 3.3Å; N426-W655 WeakPolarHBondContact OD1-CZ3 3.27Å
427	K	86	Confident	82.7	Confident	102 Å²	102	48 Å²	48	44%	0.443	25%	0.246	S	C	.	.	H	α-helix	trans	-62.3	-39.6	171	-74.9	171.9	169.7	173.5	0	112	E423 R424 A425 K430 Y431 V451	E423-K427 WeakPolarHBondContact O-CG 3.19Å; E423-K427 PolarHBondContact O-N 3.27Å; E423-K427 VanDerWaalsContact OE1-CE 3.22Å; E423-K427 WeakPolarHBondContact OE1-CE 3.33Å; E423-K427 IonicContact OE1-NZ 2.69Å; E423-K427 PolarHBondContact OE1-NZ 3.02Å; R424-K427 PolarHBondContact O-N 3.43Å; A425-K427 PolarHBondContact O-N 2.65Å; K427-K430 PolarHBondContact O-N 3.24Å; K427-Y431 PolarHBondContact O-N 3.41Å; K427-V451 HydrophobicContact CB-CG1 3.91Å
428	L	88.4	Confident	83.3	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-65.6	-40.2	175.6	-174.5	63.1	0	0	0	112.1	R424 A425 N426 K430 Y431 L432 M447 V451 I452 I462 A466	R424-L428 WeakPolarHBondContact O-CB 3.37Å; R424-L428 PolarHBondContact O-N 3.43Å; A425-L428 CarbonylContact O-C 3.59Å; A425-L428 WeakPolarHBondContact O-CA 3.49Å; A425-L428 WeakPolarHBondContact O-CB 3.33Å; A425-L428 PolarHBondContact O-N 3.35Å; A425-L428 VanDerWaalsContact O-N 3.12Å; N426-L428 VanDerWaalsContact C-N 3.35Å; L428-K430 PolarHBondContact O-N 3.47Å; L428-Y431 HydrophobicContact CD1-CD1 4.41Å; L428-Y431 PolarHBondContact O-N 2.89Å; L428-L432 HydrophobicContact CD1-CD1 4.38Å; L428-L432 HydrophobicContact CD1-CG 4.22Å; L428-L432 HydrophobicContact CG-CD1 3.9Å; L428-L432 HydrophobicContact CG-CG 4.23Å; L428-L432 WeakPolarHBondContact O-CB 3.48Å; L428-L432 WeakPolarHBondContact O-CG 3.5Å; L428-L432 PolarHBondContact O-N 3.02Å; L428-M447 HydrophobicContact CD1-CB 4.04Å; L428-M447 HydrophobicContact CD1-CG 4Å; L428-M447 HydrophobicContact CD1-SD 3.98Å; L428-V451 HydrophobicContact CB-CG1 4.07Å; L428-V451 HydrophobicContact CD1-CB 4.41Å; L428-V451 HydrophobicContact CD1-CG1 4.46Å; L428-V451 HydrophobicContact CD1-CG2 4.38Å; L428-I452 HydrophobicContact CD2-CD1 4.25Å; L428-I462 HydrophobicContact CD2-CG2 4.16Å; L428-A466 HydrophobicContact CB-CB 4.27Å; L428-A466 HydrophobicContact CD2-CB 3.86Å; L428-A466 HydrophobicContact CG-CB 4.2Å
429	V	87.8	Confident	83.8	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-58.2	-48.1	173.6	172.5	0	0	0	0	111.1	A425 N426 Y431 L432 L433 A466 A469 L470 F474	A425-V429 WeakPolarHBondContact O-CG2 3.43Å; A425-V429 PolarHBondContact O-N 2.73Å; N426-V429 PolarHBondContact O-N 3.25Å; V429-Y431 PolarHBondContact O-N 3.46Å; V429-L432 PolarHBondContact O-N 3.39Å; V429-L433 HydrophobicContact CG1-CD1 3.97Å; V429-L433 WeakPolarHBondContact O-CG 3.27Å; V429-L433 PolarHBondContact O-N 2.82Å; V429-L433 VanDerWaalsContact O-N 3.14Å; V429-A466 HydrophobicContact CG2-CB 3.81Å; V429-A469 HydrophobicContact CG2-CB 3.99Å; V429-L470 HydrophobicContact CG1-CD2 3.97Å; V429-L470 HydrophobicContact CG1-CG 4.2Å; V429-L470 HydrophobicContact CG2-CG 4.21Å; V429-F474 HydrophobicContact CG1-CD2 4.24Å; V429-F474 HydrophobicContact CG1-CE2 3.81Å
430	K	84.3	Confident	84.3	Confident	56 Å²	56	48.1 Å²	48.1	24%	0.243	23%	0.234	C	C	.	.	H	α-helix	trans	-57.7	-47.7	175.2	-71.6	-169.1	177.2	-170.2	0	111.4	N426 K427 L428 L433 V434 N656 W657	N426-K430 PolarHBondContact O-N 3.18Å; N426-K430 VanDerWaalsContact O-N 3.16Å; K427-K430 PolarHBondContact O-N 3.24Å; L428-K430 PolarHBondContact O-N 3.47Å; K430-L433 PolarHBondContact O-N 2.83Å; K430-V434 WeakPolarHBondContact O-CG2 3.39Å; K430-V434 PolarHBondContact O-N 2.84Å; K430-N656 WeakPolarHBondContact CE-O 3.25Å; K430-N656 PolarHBondContact NZ-O 3.14Å; K430-W657 HydrophobicContact CG-CZ3 4.29Å
431	Y	88.3	Confident	84.7	Confident	33 Å²	33	46.1 Å²	46.1	13%	0.129	22%	0.224	C	C	.	.	H	α-helix	trans	-59.3	-47.4	178.8	178.4	-89.7	0	0	0	113.1	K427 L428 V429 V434 K435 I442 M447 D450 V451	K427-Y431 PolarHBondContact O-N 3.41Å; L428-Y431 HydrophobicContact CD1-CD1 4.41Å; L428-Y431 PolarHBondContact O-N 2.89Å; V429-Y431 PolarHBondContact O-N 3.46Å; Y431-V434 PolarHBondContact O-N 3.27Å; Y431-K435 HydrophobicContact CD1-CG 4.07Å; Y431-K435 HydrophobicContact CE1-CD 4.36Å; Y431-K435 HydrophobicContact CE1-CG 3.82Å; Y431-K435 HydrophobicContact CE2-CG 4.41Å; Y431-K435 HydrophobicContact CG-CG 4.47Å; Y431-K435 VanDerWaalsContact CZ-CE 3.43Å; Y431-K435 WeakPolarHBondContact O-CB 3.46Å; Y431-K435 VanDerWaalsContact O-CG 3.24Å; Y431-K435 WeakPolarHBondContact O-CG 3.39Å; Y431-K435 PolarHBondContact O-N 2.96Å; Y431-K435 WeakPolarHBondContact OH-CE 3.35Å; Y431-K435 PolarHBondContact OH-NZ 2.95Å; Y431-I442 HydrophobicContact CE1-CG2 4.04Å; Y431-M447 HydrophobicContact CD1-CG 4.5Å; Y431-M447 HydrophobicContact CE1-CG 4.04Å; Y431-D450 HydrophobicContact CD2-CB 4.21Å; Y431-D450 HydrophobicContact CE2-CB 3.41Å; Y431-D450 VanDerWaalsContact CE2-CB 3.41Å; Y431-D450 WeakPolarHBondContact CE2-OD2 3.43Å; Y431-D450 VanDerWaalsContact CZ-OD2 3.27Å; Y431-D450 PolarHBondContact OH-OD2 3.26Å; Y431-V451 HydrophobicContact CD1-CG2 4.27Å; Y431-V451 HydrophobicContact CD2-CG2 3.69Å; Y431-V451 HydrophobicContact CE2-CG2 4.28Å; Y431-V451 HydrophobicContact CG-CG2 3.67Å
432	L	88.9	Confident	85.1	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.8	-44.6	-179	-72	169.1	0	0	0	111.8	L428 V429 K435 D436 I442 M447 L470 L478 L490	L428-L432 HydrophobicContact CD1-CD1 4.38Å; L428-L432 HydrophobicContact CD1-CG 4.22Å; L428-L432 HydrophobicContact CG-CD1 3.9Å; L428-L432 HydrophobicContact CG-CG 4.23Å; L428-L432 WeakPolarHBondContact O-CB 3.48Å; L428-L432 WeakPolarHBondContact O-CG 3.5Å; L428-L432 PolarHBondContact O-N 3.02Å; V429-L432 PolarHBondContact O-N 3.39Å; L432-K435 PolarHBondContact O-N 3.12Å; L432-D436 PolarHBondContact O-N 3.07Å; L432-I442 HydrophobicContact CD2-CD1 3.56Å; L432-I442 HydrophobicContact CD2-CG2 4.41Å; L432-M447 HydrophobicContact CD2-SD 3.76Å; L432-L470 HydrophobicContact CD1-CD1 3.74Å; L432-L478 HydrophobicContact CD1-CD1 4.08Å; L432-L478 HydrophobicContact CD1-CD2 3.76Å; L432-L478 HydrophobicContact CD1-CG 4.49Å; L432-L478 HydrophobicContact CD2-CD1 3.86Å; L432-L490 HydrophobicContact CB-CD1 4.11Å; L432-L490 HydrophobicContact CB-CD2 4.46Å; L432-L490 WeakPolarHBondContact O-CD1 3.45Å
433	L	85.3	Confident	85.5	Confident	39 Å²	39	50.2 Å²	50.2	20%	0.204	24%	0.242	C	C	.	.	H	α-helix	trans	-63.8	-40.7	178.8	-70	169.8	0	0	0	112.5	V429 K430 L470 F474 L490	V429-L433 HydrophobicContact CG1-CD1 3.97Å; V429-L433 WeakPolarHBondContact O-CG 3.27Å; V429-L433 PolarHBondContact O-N 2.82Å; V429-L433 VanDerWaalsContact O-N 3.14Å; K430-L433 PolarHBondContact O-N 2.83Å; L433-L470 HydrophobicContact CD1-CD2 4.41Å; L433-L470 HydrophobicContact CD2-CD2 3.84Å; L433-L470 HydrophobicContact CG-CD2 4.01Å; L433-F474 HydrophobicContact CD1-CD1 4.19Å; L433-F474 HydrophobicContact CD1-CD2 4.09Å; L433-F474 HydrophobicContact CD1-CE1 3.87Å; L433-F474 HydrophobicContact CD1-CE2 3.75Å; L433-F474 HydrophobicContact CD1-CG 4.29Å; L433-F474 HydrophobicContact CD1-CZ 3.65Å; L433-F474 HydrophobicContact CD2-CG 4.49Å; L433-L490 HydrophobicContact CD2-CD1 4.17Å
434	V	84.1	Confident	85.8	Confident	81 Å²	81	49.2 Å²	49.2	49%	0.491	23%	0.234	S	C	.	.	H	α-helix	trans	-66.4	-43.3	175.5	172.6	0	0	0	0	111.1	K430 Y431 D436 Q437	K430-V434 WeakPolarHBondContact O-CG2 3.39Å; K430-V434 PolarHBondContact O-N 2.84Å; Y431-V434 PolarHBondContact O-N 3.27Å; V434-D436 PolarHBondContact O-N 3Å; V434-Q437 WeakPolarHBondContact O-CB 3.42Å; V434-Q437 WeakPolarHBondContact O-CG 3.19Å; V434-Q437 PolarHBondContact O-N 2.79Å
435	K	85.8	Confident	85.9	Confident	73 Å²	73	51.2 Å²	51.2	32%	0.317	25%	0.254	S	S	.	.	H	α-helix	trans	-65.8	-37.8	-178.6	-70.1	-84.1	171.7	137.8	0	112.6	Y431 L432 Q437 T438 I442 D450	Y431-K435 HydrophobicContact CD1-CG 4.07Å; Y431-K435 HydrophobicContact CE1-CD 4.36Å; Y431-K435 HydrophobicContact CE1-CG 3.82Å; Y431-K435 HydrophobicContact CE2-CG 4.41Å; Y431-K435 HydrophobicContact CG-CG 4.47Å; Y431-K435 VanDerWaalsContact CZ-CE 3.43Å; Y431-K435 WeakPolarHBondContact O-CB 3.46Å; Y431-K435 VanDerWaalsContact O-CG 3.24Å; Y431-K435 WeakPolarHBondContact O-CG 3.39Å; Y431-K435 PolarHBondContact O-N 2.96Å; Y431-K435 WeakPolarHBondContact OH-CE 3.35Å; Y431-K435 PolarHBondContact OH-NZ 2.95Å; L432-K435 PolarHBondContact O-N 3.12Å; K435-Q437 PolarHBondContact O-N 3.37Å; K435-T438 PolarHBondContact O-N 2.93Å; K435-T438 VanDerWaalsContact O-N 3.09Å; K435-T438 PolarHBondContact O-OG1 3.48Å; K435-I442 HydrophobicContact CB-CD1 3.54Å; K435-I442 HydrophobicContact CB-CG1 3.96Å; K435-I442 HydrophobicContact CG-CD1 4.4Å; K435-D450 IonicContact NZ-OD2 2.87Å
436	D	83.9	Confident	86	Confident	23 Å²	23	53.8 Å²	53.8	12%	0.123	27%	0.268	C	S	.	.	H	α-helix	trans	-68.5	-15.7	-178.9	-172.2	62.5	0	0	0	114.3	L432 V434 T438 K439 L490 R587	L432-D436 PolarHBondContact O-N 3.07Å; V434-D436 PolarHBondContact O-N 3Å; D436-T438 PolarHBondContact O-N 3.49Å; D436-K439 VanDerWaalsContact O-CD 3.27Å; D436-K439 WeakPolarHBondContact O-CD 3.21Å; D436-K439 WeakPolarHBondContact O-CE 3.42Å; D436-K439 PolarHBondContact O-N 2.98Å; D436-K439 IonicContact OD1-NZ 3.13Å; D436-K439 IonicContact OD2-NZ 3.59Å; D436-K439 PolarHBondContact OD2-NZ 3.25Å; D436-L490 HydrophobicContact CB-CB 4.11Å; D436-L490 HydrophobicContact CB-CD1 3.8Å; D436-L490 HydrophobicContact CB-CG 4.22Å; D436-R587 IonicContact OD1-CZ 2.7Å; D436-R587 IonicContact OD1-NH1 2.65Å; D436-R587 PolarHBondContact OD1-NH1 3.25Å; D436-R587 IonicContact OD1-NH2 2.88Å; D436-R587 PolarHBondContact OD1-NH2 3.49Å
437	Q	77.9	Confident	86.1	Confident	142 Å²	142	52.4 Å²	52.4	66%	0.664	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-33.3	167.7	-62.3	-178.3	-5.4	0	0	112.1	V434 K435 K439	V434-Q437 WeakPolarHBondContact O-CB 3.42Å; V434-Q437 WeakPolarHBondContact O-CG 3.19Å; V434-Q437 PolarHBondContact O-N 2.79Å; K435-Q437 PolarHBondContact O-N 3.37Å; Q437-K439 VanDerWaalsContact C-N 3.33Å
438	T	79	Confident	86.1	Confident	70 Å²	70	48.7 Å²	48.7	43%	0.429	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-15.1	177.6	70.8	0	0	0	0	113.7	K435 D436 I440 Q564	K435-T438 PolarHBondContact O-N 2.93Å; K435-T438 VanDerWaalsContact O-N 3.09Å; K435-T438 PolarHBondContact O-OG1 3.48Å; D436-T438 PolarHBondContact O-N 3.49Å; T438-I440 PolarHBondContact O-N 2.83Å; T438-I440 VanDerWaalsContact O-N 3.12Å; T438-I440 PolarHBondContact OG1-N 2.94Å; T438-Q564 PolarHBondContact O-NE2 2.94Å
439	K	83.8	Confident	86	Confident	68 Å²	68	56.3 Å²	56.3	30%	0.296	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	17.3	-168.5	-57.6	-69.3	169.5	-176.1	0	115.3	D436 Q437 Q564 Y566 R587	D436-K439 VanDerWaalsContact O-CD 3.27Å; D436-K439 WeakPolarHBondContact O-CD 3.21Å; D436-K439 WeakPolarHBondContact O-CE 3.42Å; D436-K439 PolarHBondContact O-N 2.98Å; D436-K439 IonicContact OD1-NZ 3.13Å; D436-K439 IonicContact OD2-NZ 3.59Å; D436-K439 PolarHBondContact OD2-NZ 3.25Å; Q437-K439 VanDerWaalsContact C-N 3.33Å; K439-Q564 HydrophobicContact CB-CG 3.97Å; K439-Q564 WeakPolarHBondContact O-CA 3.47Å; K439-Q564 WeakPolarHBondContact O-CB 3.44Å; K439-Q564 WeakPolarHBondContact O-CG 3.5Å; K439-Y566 HydrophobicContact CB-CE2 4.35Å; K439-R587 PolarHBondContact O-NH1 2.81Å
440	I	85.5	Confident	85.6	Confident	84 Å²	84	59.9 Å²	59.9	43%	0.431	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-80.5	130.5	172.6	-60.9	171.3	0	0	0	109.4	T438	T438-I440 PolarHBondContact O-N 2.83Å; T438-I440 VanDerWaalsContact O-N 3.12Å; T438-I440 PolarHBondContact OG1-N 2.94Å
441	P	87.9	Confident	85.3	Confident	13 Å²	13	57.7 Å²	57.7	8%	0.084	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-60.9	137	175	-25.8	36	0	0	0	113	I481 L487 Y488 I489 K563 K565	P441-I481 HydrophobicContact CB-CD1 4.01Å; P441-I481 HydrophobicContact CG-CD1 4.02Å; P441-L487 HydrophobicContact CB-CB 4.44Å; P441-L487 HydrophobicContact CB-CD2 4.37Å; P441-Y488 CarbonylContact C-O 3.6Å; P441-Y488 WeakPolarHBondContact CA-O 3.12Å; P441-I489 HydrophobicContact CB-CG2 3.99Å; P441-I489 HydrophobicContact CG-CG2 4.01Å; P441-K563 WeakPolarHBondContact CD-O 3.37Å; P441-K565 HydrophobicContact CG-CB 4.02Å; P441-K565 HydrophobicContact CG-CG 3.85Å
442	I	90.6	Very high	84.8	Confident	8 Å²	8	56.1 Å²	56.1	4%	0.041	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.7	-169.5	-54	173.5	0	0	0	108.9	Y431 L432 K435 M447 Y488	Y431-I442 HydrophobicContact CE1-CG2 4.04Å; L432-I442 HydrophobicContact CD2-CD1 3.56Å; L432-I442 HydrophobicContact CD2-CG2 4.41Å; K435-I442 HydrophobicContact CB-CD1 3.54Å; K435-I442 HydrophobicContact CB-CG1 3.96Å; K435-I442 HydrophobicContact CG-CD1 4.4Å; I442-M447 HydrophobicContact CG2-CG 3.7Å; I442-M447 HydrophobicContact CG2-SD 4.07Å; I442-Y488 PolarHBondContact N-O 3.33Å; I442-Y488 PolarHBondContact O-N 3.26Å
443	K	89.9	Confident	84.5	Confident	104 Å²	104	61.1 Å²	61.1	45%	0.452	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	148	178.8	-58.6	169.4	-174.6	167.3	0	111.6	S445 D446 M447 L487	K443-S445 VanDerWaalsContact C-N 3.28Å; K443-S445 PolarHBondContact O-N 3.5Å; K443-D446 HydrophobicContact CB-CB 4.33Å; K443-D446 WeakPolarHBondContact CB-OD2 3.39Å; K443-D446 PolarHBondContact O-N 2.92Å; K443-D446 VanDerWaalsContact O-N 3.13Å; K443-M447 PolarHBondContact O-N 2.96Å; K443-M447 VanDerWaalsContact O-N 3.15Å; K443-L487 HydrophobicContact CB-CD2 4.47Å; K443-L487 HydrophobicContact CG-CD2 3.63Å
444	R	88.2	Confident	84	Confident	70 Å²	70	67.3 Å²	67.3	26%	0.264	33%	0.334	S	S	.	.	H	α-helix	trans	-51.6	-45	166.1	177.6	161.8	-179.3	159	1.4	113	D446 M447 L448 F459 N486 Y488	R444-D446 VanDerWaalsContact C-N 3.27Å; R444-D446 PolarHBondContact O-N 3.41Å; R444-M447 PolarHBondContact O-N 2.71Å; R444-L448 HydrophobicContact CG-CD1 3.76Å; R444-L448 HydrophobicContact CG-CG 4.28Å; R444-L448 WeakPolarHBondContact O-CB 3.46Å; R444-L448 WeakPolarHBondContact O-CG 3.39Å; R444-L448 PolarHBondContact O-N 2.98Å; R444-F459 HydrophobicContact CB-CZ 4.38Å; R444-F459 HydrophobicContact CG-CE1 4.3Å; R444-F459 HydrophobicContact CG-CE2 3.81Å; R444-F459 HydrophobicContact CG-CZ 3.66Å; R444-F459 VanDerWaalsContact CZ-CD1 3.46Å; R444-N486 HydrophobicContact CB-CB 3.56Å; R444-N486 HydrophobicContact CG-CB 4.49Å; R444-N486 PolarHBondContact N-O 3.01Å; R444-Y488 HydrophobicContact CB-CE2 4.1Å
445	S	86.9	Confident	83.7	Confident	81 Å²	81	66.2 Å²	66.2	57%	0.566	32%	0.321	S	S	*	.	H	α-helix	trans	-61.1	-34.4	179.4	-50	0	0	0	0	113	K443 K449	K443-S445 VanDerWaalsContact C-N 3.28Å; K443-S445 PolarHBondContact O-N 3.5Å; S445-K449 WeakPolarHBondContact O-CB 3.33Å; S445-K449 PolarHBondContact O-N 2.95Å
446	D	87.7	Confident	83.4	Confident	54 Å²	54	68 Å²	68	29%	0.289	33%	0.33	S	S	.	.	H	α-helix	trans	-73.7	-42.5	179.3	-53.5	-16.9	0	0	0	109.8	K443 R444 L448 K449 D450	K443-D446 HydrophobicContact CB-CB 4.33Å; K443-D446 WeakPolarHBondContact CB-OD2 3.39Å; K443-D446 PolarHBondContact O-N 2.92Å; K443-D446 VanDerWaalsContact O-N 3.13Å; R444-D446 VanDerWaalsContact C-N 3.27Å; R444-D446 PolarHBondContact O-N 3.41Å; D446-L448 PolarHBondContact O-N 3.3Å; D446-K449 PolarHBondContact O-N 3.02Å; D446-D450 WeakPolarHBondContact O-CB 3.42Å; D446-D450 VanDerWaalsContact O-CG 3.23Å; D446-D450 PolarHBondContact O-N 3.29Å
447	M	87.4	Confident	83.3	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-64.1	-37.8	173.7	-63.5	-173.6	-66.6	0	0	112.9	L428 Y431 L432 I442 K443 R444 V451 I452 F459 I463 Y488	L428-M447 HydrophobicContact CD1-CB 4.04Å; L428-M447 HydrophobicContact CD1-CG 4Å; L428-M447 HydrophobicContact CD1-SD 3.98Å; Y431-M447 HydrophobicContact CD1-CG 4.5Å; Y431-M447 HydrophobicContact CE1-CG 4.04Å; L432-M447 HydrophobicContact CD2-SD 3.76Å; I442-M447 HydrophobicContact CG2-CG 3.7Å; I442-M447 HydrophobicContact CG2-SD 4.07Å; K443-M447 PolarHBondContact O-N 2.96Å; K443-M447 VanDerWaalsContact O-N 3.15Å; R444-M447 PolarHBondContact O-N 2.71Å; M447-V451 PolarHBondContact O-N 3.12Å; M447-I452 PolarHBondContact O-N 3.35Å; M447-I452 VanDerWaalsContact O-N 3.17Å; M447-F459 HydrophobicContact CB-CE2 4.5Å; M447-F459 HydrophobicContact CE-CE2 4.24Å; M447-F459 HydrophobicContact CE-CZ 4.01Å; M447-I463 HydrophobicContact CE-CD1 3.95Å; M447-Y488 HydrophobicContact CE-CD2 3.35Å; M447-Y488 HydrophobicContact CE-CE2 3.56Å; M447-Y488 HydrophobicContact CE-CG 4.01Å
448	L	86.8	Confident	83.5	Confident	23 Å²	23	72.2 Å²	72.2	12%	0.12	35%	0.351	C	S	.	.	I	π-helix	trans	-62.8	-52	173.7	-78.5	168.1	0	0	0	110.8	R444 D446 I452 Q453 E456 F459	R444-L448 HydrophobicContact CG-CD1 3.76Å; R444-L448 HydrophobicContact CG-CG 4.28Å; R444-L448 WeakPolarHBondContact O-CB 3.46Å; R444-L448 WeakPolarHBondContact O-CG 3.39Å; R444-L448 PolarHBondContact O-N 2.98Å; D446-L448 PolarHBondContact O-N 3.3Å; L448-I452 HydrophobicContact CD2-CB 4.37Å; L448-I452 HydrophobicContact CD2-CG2 4.11Å; L448-I452 PolarHBondContact O-N 3Å; L448-Q453 WeakPolarHBondContact O-CA 3.35Å; L448-Q453 PolarHBondContact O-N 3.44Å; L448-E456 WeakPolarHBondContact CD1-OE1 3.4Å; L448-E456 HydrophobicContact CD2-CB 3.93Å; L448-E456 HydrophobicContact CD2-CG 3.75Å; L448-F459 HydrophobicContact CD2-CB 4.27Å; L448-F459 HydrophobicContact CD2-CD2 3.56Å; L448-F459 HydrophobicContact CD2-CE2 4.34Å; L448-F459 HydrophobicContact CD2-CG 4.26Å; L448-F459 HydrophobicContact CG-CD2 3.89Å; L448-F459 HydrophobicContact CG-CE2 4.17Å
449	K	85.9	Confident	83.8	Confident	161 Å²	161	69.1 Å²	69.1	70%	0.7	33%	0.331	S	S	*	.	I	π-helix	trans	-67.1	-45.8	-177.6	-171.7	-174.2	178.3	-170.8	0	113.4	S445 D446 Q453	S445-K449 WeakPolarHBondContact O-CB 3.33Å; S445-K449 PolarHBondContact O-N 2.95Å; D446-K449 PolarHBondContact O-N 3.02Å; K449-Q453 WeakPolarHBondContact O-CG 3.42Å; K449-Q453 PolarHBondContact O-NE2 2.89Å
450	D	78.5	Confident	83.9	Confident	74 Å²	74	69.2 Å²	69.2	40%	0.396	34%	0.339	S	S	.	.	I	π-helix	trans	-84.6	-22.8	-167.6	-62.7	-9.4	0	0	0	112.9	Y431 K435 D446	Y431-D450 HydrophobicContact CD2-CB 4.21Å; Y431-D450 HydrophobicContact CE2-CB 3.41Å; Y431-D450 VanDerWaalsContact CE2-CB 3.41Å; Y431-D450 WeakPolarHBondContact CE2-OD2 3.43Å; Y431-D450 VanDerWaalsContact CZ-OD2 3.27Å; Y431-D450 PolarHBondContact OH-OD2 3.26Å; K435-D450 IonicContact NZ-OD2 2.87Å; D446-D450 WeakPolarHBondContact O-CB 3.42Å; D446-D450 VanDerWaalsContact O-CG 3.23Å; D446-D450 PolarHBondContact O-N 3.29Å
451	V	79.2	Confident	83.9	Confident	11 Å²	11	65.8 Å²	65.8	7%	0.067	32%	0.322	C	S	.	.	I	π-helix	trans	-133.8	-48.8	-171.3	-174.6	0	0	0	0	114.5	R424 K427 L428 Y431 M447	R424-V451 PolarHBondContact NH1-O 3.17Å; K427-V451 HydrophobicContact CB-CG1 3.91Å; L428-V451 HydrophobicContact CB-CG1 4.07Å; L428-V451 HydrophobicContact CD1-CB 4.41Å; L428-V451 HydrophobicContact CD1-CG1 4.46Å; L428-V451 HydrophobicContact CD1-CG2 4.38Å; Y431-V451 HydrophobicContact CD1-CG2 4.27Å; Y431-V451 HydrophobicContact CD2-CG2 3.69Å; Y431-V451 HydrophobicContact CE2-CG2 4.28Å; Y431-V451 HydrophobicContact CG-CG2 3.67Å; M447-V451 PolarHBondContact O-N 3.12Å
452	I	78.4	Confident	83.8	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	32%	0.317	C	S	.	.	I	π-helix	trans	-87.2	-38.6	-166.6	-66.3	170.1	0	0	0	111.9	L428 M447 L448 E454 Y455 F459 I462	L428-I452 HydrophobicContact CD2-CD1 4.25Å; M447-I452 PolarHBondContact O-N 3.35Å; M447-I452 VanDerWaalsContact O-N 3.17Å; L448-I452 HydrophobicContact CD2-CB 4.37Å; L448-I452 HydrophobicContact CD2-CG2 4.11Å; L448-I452 PolarHBondContact O-N 3Å; I452-E454 PolarHBondContact O-N 3.48Å; I452-E454 VanDerWaalsContact O-N 3.15Å; I452-Y455 WeakPolarHBondContact CG2-O 3.5Å; I452-Y455 WeakPolarHBondContact O-CD2 3.33Å; I452-Y455 PolarHBondContact O-N 2.86Å; I452-F459 HydrophobicContact CD1-CD2 3.39Å; I452-F459 HydrophobicContact CD1-CE2 3.83Å; I452-F459 HydrophobicContact CD1-CG 4.32Å; I452-I462 HydrophobicContact CD1-CG2 4.16Å; I452-I462 HydrophobicContact CG1-CG2 4.18Å; I452-I462 HydrophobicContact CG2-CD1 4.04Å
453	Q	81	Confident	83.7	Confident	104 Å²	104	65.6 Å²	65.6	49%	0.486	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	51.4	-112.6	170.6	-64	162.4	-19	0	0	112.1	L448 K449 Y455	L448-Q453 WeakPolarHBondContact O-CA 3.35Å; L448-Q453 PolarHBondContact O-N 3.44Å; K449-Q453 WeakPolarHBondContact O-CG 3.42Å; K449-Q453 PolarHBondContact O-NE2 2.89Å; Q453-Y455 PolarHBondContact O-N 3.48Å; Q453-Y455 VanDerWaalsContact O-N 3.13Å
454	E	76.4	Confident	83.7	Confident	169 Å²	169	62 Å²	62	79%	0.79	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-65	-13.3	-176.9	-64.2	165.4	-177.9	0	0	113.9	I452 E456	I452-E454 PolarHBondContact O-N 3.48Å; I452-E454 VanDerWaalsContact O-N 3.15Å; E454-E456 PolarHBondContact O-N 3.4Å
455	Y	77	Confident	83.6	Confident	59 Å²	59	59.2 Å²	59.2	23%	0.231	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-96.8	29.3	-176.7	-59.6	-91.4	0	0	0	113.5	I420 L421 R424 I452 Q453 D457 Y458 F459	I420-Y455 HydrophobicContact CG2-CE1 3.82Å; I420-Y455 HydrophobicContact CG2-CE2 4.49Å; L421-Y455 HydrophobicContact CD2-CD1 4.23Å; R424-Y455 HydrophobicContact CG-CD2 4.28Å; I452-Y455 WeakPolarHBondContact CG2-O 3.5Å; I452-Y455 WeakPolarHBondContact O-CD2 3.33Å; I452-Y455 PolarHBondContact O-N 2.86Å; Q453-Y455 PolarHBondContact O-N 3.48Å; Q453-Y455 VanDerWaalsContact O-N 3.13Å; Y455-D457 VanDerWaalsContact C-N 3.32Å; Y455-D457 PolarHBondContact O-N 2.92Å; Y455-Y458 HydrophobicContact CD1-CD2 4.25Å; Y455-Y458 CarbonylContact O-C 3.4Å; Y455-Y458 WeakPolarHBondContact O-CA 3.4Å; Y455-Y458 PolarHBondContact O-N 2.97Å; Y455-F459 PolarHBondContact O-N 3.49Å
456	E	80	Confident	83.7	Confident	109 Å²	109	55.4 Å²	55.4	51%	0.509	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-57	-40.1	-178.4	178.1	159.3	-153.2	0	0	113.1	L448 E454 Y458 F459	L448-E456 WeakPolarHBondContact CD1-OE1 3.4Å; L448-E456 HydrophobicContact CD2-CB 3.93Å; L448-E456 HydrophobicContact CD2-CG 3.75Å; E454-E456 PolarHBondContact O-N 3.4Å; E456-Y458 PolarHBondContact O-N 3.32Å; E456-Y458 VanDerWaalsContact O-N 3.14Å; E456-F459 WeakPolarHBondContact O-CB 3.4Å; E456-F459 PolarHBondContact O-N 3.5Å
457	D	81.2	Confident	83.8	Confident	155 Å²	155	52.9 Å²	52.9	83%	0.829	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-57.7	-27.5	174.6	-74.1	-30.5	0	0	0	113	Y455	Y455-D457 VanDerWaalsContact C-N 3.32Å; Y455-D457 PolarHBondContact O-N 2.92Å
458	Y	82.4	Confident	83.7	Confident	100 Å²	100	54.5 Å²	54.5	39%	0.392	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-97.5	2.6	179.3	-59.5	-84.3	0	0	0	113.2	L421 Y455 E456 P460 E461 I462	L421-Y458 HydrophobicContact CD1-CD1 3.96Å; L421-Y458 HydrophobicContact CD1-CG 4.5Å; L421-Y458 HydrophobicContact CD2-CD1 4.08Å; L421-Y458 HydrophobicContact CD2-CD2 4.38Å; L421-Y458 HydrophobicContact CD2-CG 3.79Å; Y455-Y458 HydrophobicContact CD1-CD2 4.25Å; Y455-Y458 CarbonylContact O-C 3.4Å; Y455-Y458 WeakPolarHBondContact O-CA 3.4Å; Y455-Y458 PolarHBondContact O-N 2.97Å; E456-Y458 PolarHBondContact O-N 3.32Å; E456-Y458 VanDerWaalsContact O-N 3.14Å; Y458-P460 VanDerWaalsContact C-N 3.33Å; Y458-E461 PolarHBondContact O-N 3.47Å; Y458-I462 WeakPolarHBondContact O-CG1 3.34Å; Y458-I462 PolarHBondContact O-N 3.35Å
459	F	85.5	Confident	83.6	Confident	4 Å²	4	53.4 Å²	53.4	2%	0.018	25%	0.254	C	S	.	.	H	α-helix	trans	-46.5	-46.6	178.6	175.8	-80.6	0	0	0	113.6	R444 M447 L448 I452 Y455 E456 E461 I462 I463	R444-F459 HydrophobicContact CB-CZ 4.38Å; R444-F459 HydrophobicContact CG-CE1 4.3Å; R444-F459 HydrophobicContact CG-CE2 3.81Å; R444-F459 HydrophobicContact CG-CZ 3.66Å; R444-F459 VanDerWaalsContact CZ-CD1 3.46Å; M447-F459 HydrophobicContact CB-CE2 4.5Å; M447-F459 HydrophobicContact CE-CE2 4.24Å; M447-F459 HydrophobicContact CE-CZ 4.01Å; L448-F459 HydrophobicContact CD2-CB 4.27Å; L448-F459 HydrophobicContact CD2-CD2 3.56Å; L448-F459 HydrophobicContact CD2-CE2 4.34Å; L448-F459 HydrophobicContact CD2-CG 4.26Å; L448-F459 HydrophobicContact CG-CD2 3.89Å; L448-F459 HydrophobicContact CG-CE2 4.17Å; I452-F459 HydrophobicContact CD1-CD2 3.39Å; I452-F459 HydrophobicContact CD1-CE2 3.83Å; I452-F459 HydrophobicContact CD1-CG 4.32Å; Y455-F459 PolarHBondContact O-N 3.49Å; E456-F459 WeakPolarHBondContact O-CB 3.4Å; E456-F459 PolarHBondContact O-N 3.5Å; F459-E461 VanDerWaalsContact C-N 3.27Å; F459-E461 PolarHBondContact O-N 3.41Å; F459-I462 PolarHBondContact O-N 3.01Å; F459-I463 HydrophobicContact CD1-CG2 4.3Å; F459-I463 HydrophobicContact CE1-CB 4.35Å; F459-I463 HydrophobicContact CE1-CD1 3.91Å; F459-I463 HydrophobicContact CE1-CG2 4.04Å; F459-I463 HydrophobicContact CE2-CD1 4.47Å; F459-I463 HydrophobicContact CZ-CD1 3.6Å; F459-I463 WeakPolarHBondContact O-CB 3.45Å; F459-I463 VanDerWaalsContact O-CG2 3.26Å; F459-I463 WeakPolarHBondContact O-CG2 3.32Å; F459-I463 PolarHBondContact O-N 3.3Å
460	P	86.5	Confident	83.6	Confident	71 Å²	71	45.8 Å²	45.8	46%	0.461	22%	0.221	S	C	.	.	H	α-helix	trans	-64	-30	-178.2	-21.7	34.9	0	0	0	113.8	Y458 I463 E464	Y458-P460 VanDerWaalsContact C-N 3.33Å; P460-I463 WeakPolarHBondContact O-CG2 3.27Å; P460-E464 PolarHBondContact O-N 2.91Å
461	E	83.6	Confident	84	Confident	12 Å²	12	44.6 Å²	44.6	6%	0.056	21%	0.213	C	C	.	.	H	α-helix	trans	-82.2	-41.5	179.2	-166.8	178.9	140.7	0	0	111	R416 L421 Y458 F459 R465 M644	R416-E461 IonicContact CZ-OE2 2.66Å; R416-E461 VanDerWaalsContact CZ-OE2 3.29Å; R416-E461 IonicContact NH1-OE1 2.73Å; R416-E461 PolarHBondContact NH1-OE1 2.92Å; R416-E461 IonicContact NH1-OE2 3.28Å; R416-E461 PolarHBondContact NH1-OE2 3.49Å; R416-E461 IonicContact NH2-OE2 3.1Å; R416-E461 PolarHBondContact NH2-OE2 3.32Å; L421-E461 WeakPolarHBondContact CD1-OE1 3.42Å; Y458-E461 PolarHBondContact O-N 3.47Å; F459-E461 VanDerWaalsContact C-N 3.27Å; F459-E461 PolarHBondContact O-N 3.41Å; E461-R465 WeakPolarHBondContact O-CB 3.22Å; E461-R465 WeakPolarHBondContact O-CD 3.41Å; E461-R465 VanDerWaalsContact O-CG 3.24Å; E461-R465 WeakPolarHBondContact O-CG 3.49Å; E461-R465 PolarHBondContact O-N 3.09Å; E461-R465 IonicContact OE1-CZ 3.24Å; E461-R465 IonicContact OE1-NE 2.92Å; E461-R465 PolarHBondContact OE1-NE 3.02Å; E461-R465 IonicContact OE1-NH2 2.95Å; E461-R465 PolarHBondContact OE1-NH2 3.3Å; E461-M644 HydrophobicContact CB-SD 3.97Å; E461-M644 HydrophobicContact CG-SD 4Å
462	I	86.4	Confident	84.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-63	-42.5	176.4	-63.9	167.2	0	0	0	110.7	L421 R424 A425 L428 I452 Y458 F459 A466	L421-I462 HydrophobicContact CD2-CD1 4.05Å; L421-I462 HydrophobicContact CD2-CG1 4.07Å; R424-I462 HydrophobicContact CB-CD1 4.15Å; R424-I462 HydrophobicContact CB-CG2 4.27Å; A425-I462 HydrophobicContact CB-CG2 4.2Å; L428-I462 HydrophobicContact CD2-CG2 4.16Å; I452-I462 HydrophobicContact CD1-CG2 4.16Å; I452-I462 HydrophobicContact CG1-CG2 4.18Å; I452-I462 HydrophobicContact CG2-CD1 4.04Å; Y458-I462 WeakPolarHBondContact O-CG1 3.34Å; Y458-I462 PolarHBondContact O-N 3.35Å; F459-I462 PolarHBondContact O-N 3.01Å; I462-A466 WeakPolarHBondContact O-CB 3.42Å; I462-A466 PolarHBondContact O-N 2.9Å
463	I	89.8	Confident	84.1	Confident	17 Å²	17	51.1 Å²	51.1	9%	0.087	24%	0.242	C	C	.	.	H	α-helix	trans	-71.4	-35.8	-179.1	-163	165	0	0	0	112.9	M447 F459 P460 A466 S467 L478 Y488	M447-I463 HydrophobicContact CE-CD1 3.95Å; F459-I463 HydrophobicContact CD1-CG2 4.3Å; F459-I463 HydrophobicContact CE1-CB 4.35Å; F459-I463 HydrophobicContact CE1-CD1 3.91Å; F459-I463 HydrophobicContact CE1-CG2 4.04Å; F459-I463 HydrophobicContact CE2-CD1 4.47Å; F459-I463 HydrophobicContact CZ-CD1 3.6Å; F459-I463 WeakPolarHBondContact O-CB 3.45Å; F459-I463 VanDerWaalsContact O-CG2 3.26Å; F459-I463 WeakPolarHBondContact O-CG2 3.32Å; F459-I463 PolarHBondContact O-N 3.3Å; P460-I463 WeakPolarHBondContact O-CG2 3.27Å; I463-A466 PolarHBondContact O-N 2.96Å; I463-S467 WeakPolarHBondContact O-CB 3.39Å; I463-S467 PolarHBondContact O-N 3.36Å; I463-L478 HydrophobicContact CD1-CD2 3.92Å; I463-L478 HydrophobicContact CG1-CD2 3.56Å; I463-Y488 HydrophobicContact CD1-CD1 4.29Å; I463-Y488 HydrophobicContact CD1-CE1 3.89Å
464	E	88.9	Confident	83.8	Confident	27 Å²	27	50 Å²	50	13%	0.126	24%	0.236	C	C	.	.	H	α-helix	trans	-74.8	-32.4	174.3	-84.6	-60.9	143.2	0	0	113	P460 S467 Y468 R637 R641 M644 I646	P460-E464 PolarHBondContact O-N 2.91Å; E464-S467 PolarHBondContact O-N 3.08Å; E464-Y468 VanDerWaalsContact O-CB 3.29Å; E464-Y468 WeakPolarHBondContact O-CB 3.49Å; E464-Y468 PolarHBondContact O-N 3.25Å; E464-R637 WeakPolarHBondContact OE1-CD 3.24Å; E464-R637 WeakPolarHBondContact OE1-CG 3.43Å; E464-R637 IonicContact OE1-NE 3.49Å; E464-R637 PolarHBondContact OE1-NE 3.25Å; E464-R641 IonicContact OE2-CZ 3.58Å; E464-R641 VanDerWaalsContact OE2-CZ 3.3Å; E464-R641 IonicContact OE2-NE 3.94Å; E464-R641 PolarHBondContact OE2-NE 2.82Å; E464-R641 IonicContact OE2-NH2 2.65Å; E464-R641 PolarHBondContact OE2-NH2 2.82Å; E464-M644 HydrophobicContact CB-CE 3.96Å; E464-M644 HydrophobicContact CG-CE 4.14Å; E464-I646 HydrophobicContact CB-CD1 3.99Å
465	R	86.1	Confident	84	Confident	13 Å²	13	48.2 Å²	48.2	5%	0.049	22%	0.222	C	C	.	.	H	α-helix	trans	-60.5	-47.5	167.5	-72.9	166.8	-178.6	-119.8	13.3	111.4	V418 Q422 A425 E461 Y468 A469 I646	V418-R465 PolarHBondContact O-NH1 3.04Å; Q422-R465 VanDerWaalsContact OE1-NH1 3.17Å; A425-R465 HydrophobicContact CB-CB 3.68Å; E461-R465 WeakPolarHBondContact O-CB 3.22Å; E461-R465 WeakPolarHBondContact O-CD 3.41Å; E461-R465 VanDerWaalsContact O-CG 3.24Å; E461-R465 WeakPolarHBondContact O-CG 3.49Å; E461-R465 PolarHBondContact O-N 3.09Å; E461-R465 IonicContact OE1-CZ 3.24Å; E461-R465 IonicContact OE1-NE 2.92Å; E461-R465 PolarHBondContact OE1-NE 3.02Å; E461-R465 IonicContact OE1-NH2 2.95Å; E461-R465 PolarHBondContact OE1-NH2 3.3Å; R465-Y468 PolarHBondContact O-N 2.82Å; R465-A469 WeakPolarHBondContact O-CB 3.36Å; R465-A469 PolarHBondContact O-N 3.42Å; R465-I646 HydrophobicContact CG-CD1 3.98Å; R465-I646 HydrophobicContact CG-CG1 4.19Å; R465-I646 HydrophobicContact CG-CG2 4.29Å
466	A	89.1	Confident	84.4	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-64.9	-40.6	177.6	0	0	0	0	0	112.3	A425 L428 V429 I462 I463 A469 L470	A425-A466 HydrophobicContact CB-CB 4.33Å; L428-A466 HydrophobicContact CB-CB 4.27Å; L428-A466 HydrophobicContact CD2-CB 3.86Å; L428-A466 HydrophobicContact CG-CB 4.2Å; V429-A466 HydrophobicContact CG2-CB 3.81Å; I462-A466 WeakPolarHBondContact O-CB 3.42Å; I462-A466 PolarHBondContact O-N 2.9Å; I463-A466 PolarHBondContact O-N 2.96Å; A466-A469 PolarHBondContact O-N 2.87Å; A466-L470 WeakPolarHBondContact O-CB 3.31Å; A466-L470 WeakPolarHBondContact O-CD1 3.2Å; A466-L470 WeakPolarHBondContact O-CG 3.41Å; A466-L470 PolarHBondContact O-N 3.16Å
467	S	89.3	Confident	84.6	Confident	1 Å²	1	43.4 Å²	43.4	1%	0.007	20%	0.204	C	C	.	.	H	α-helix	trans	-62	-44.5	174.6	-176.8	0	0	0	0	111.8	I463 E464 L470 E471 R641	I463-S467 WeakPolarHBondContact O-CB 3.39Å; I463-S467 PolarHBondContact O-N 3.36Å; E464-S467 PolarHBondContact O-N 3.08Å; S467-L470 PolarHBondContact O-N 3.5Å; S467-E471 WeakPolarHBondContact O-CB 3.03Å; S467-E471 PolarHBondContact O-N 2.95Å; S467-R641 PolarHBondContact OG-NH2 3.24Å
468	Y	85.6	Confident	85	Confident	35 Å²	35	36.2 Å²	36.2	14%	0.137	17%	0.166	C	C	.	.	H	α-helix	trans	-61.8	-44.9	174.2	-175.4	-94.6	0	0	0	111.8	E464 R465 L470 E471 K472 I646 A650 V651	E464-Y468 VanDerWaalsContact O-CB 3.29Å; E464-Y468 WeakPolarHBondContact O-CB 3.49Å; E464-Y468 PolarHBondContact O-N 3.25Å; R465-Y468 PolarHBondContact O-N 2.82Å; Y468-L470 PolarHBondContact O-N 3.36Å; Y468-E471 PolarHBondContact O-N 3.47Å; Y468-K472 HydrophobicContact CD1-CG 4.01Å; Y468-K472 HydrophobicContact CD2-CG 4.32Å; Y468-K472 HydrophobicContact CE1-CG 3.72Å; Y468-K472 HydrophobicContact CE2-CD 4.42Å; Y468-K472 VanDerWaalsContact CE2-CE 3.46Å; Y468-K472 HydrophobicContact CE2-CG 4.07Å; Y468-K472 HydrophobicContact CG-CG 4.31Å; Y468-K472 WeakPolarHBondContact O-CB 3.07Å; Y468-K472 WeakPolarHBondContact O-CG 3.24Å; Y468-K472 PolarHBondContact O-N 3.3Å; Y468-I646 HydrophobicContact CG-CG2 4.36Å; Y468-A650 HydrophobicContact CD1-CB 4.03Å; Y468-A650 HydrophobicContact CE1-CB 4.46Å; Y468-V651 HydrophobicContact CD1-CG2 4.09Å; Y468-V651 HydrophobicContact CE1-CG2 3.83Å
469	A	85.2	Confident	85.3	Confident	0 Å²	0	32.8 Å²	32.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-61.9	-42.6	176.8	0	0	0	0	0	112.8	V429 R465 A466 M473 W655	V429-A469 HydrophobicContact CG2-CB 3.99Å; R465-A469 WeakPolarHBondContact O-CB 3.36Å; R465-A469 PolarHBondContact O-N 3.42Å; A466-A469 PolarHBondContact O-N 2.87Å; A469-M473 HydrophobicContact CB-CE 4.31Å; A469-M473 WeakPolarHBondContact O-CB 3.43Å; A469-M473 PolarHBondContact O-N 2.61Å; A469-W655 HydrophobicContact CB-CH2 3.74Å; A469-W655 HydrophobicContact CB-CZ2 4.21Å
470	L	86.2	Confident	85.4	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.166	C	C	.	.	I	π-helix	trans	-61.8	-42.9	173.2	-75.5	160.7	0	0	0	112	V429 L432 L433 A466 S467 Y468 F474 R475 V476 L478 L490	V429-L470 HydrophobicContact CG1-CD2 3.97Å; V429-L470 HydrophobicContact CG1-CG 4.2Å; V429-L470 HydrophobicContact CG2-CG 4.21Å; L432-L470 HydrophobicContact CD1-CD1 3.74Å; L433-L470 HydrophobicContact CD1-CD2 4.41Å; L433-L470 HydrophobicContact CD2-CD2 3.84Å; L433-L470 HydrophobicContact CG-CD2 4.01Å; A466-L470 WeakPolarHBondContact O-CB 3.31Å; A466-L470 WeakPolarHBondContact O-CD1 3.2Å; A466-L470 WeakPolarHBondContact O-CG 3.41Å; A466-L470 PolarHBondContact O-N 3.16Å; S467-L470 PolarHBondContact O-N 3.5Å; Y468-L470 PolarHBondContact O-N 3.36Å; L470-F474 HydrophobicContact CD2-CB 4.49Å; L470-F474 HydrophobicContact CD2-CD2 4.15Å; L470-F474 CarbonylContact O-C 3.01Å; L470-F474 WeakPolarHBondContact O-CA 3.41Å; L470-F474 WeakPolarHBondContact O-CB 3.29Å; L470-F474 PolarHBondContact O-N 2.97Å; L470-R475 PolarHBondContact O-N 2.88Å; L470-V476 CarbonylContact C-O 3.41Å; L470-V476 WeakPolarHBondContact CB-O 3.36Å; L470-V476 HydrophobicContact CD2-CB 4.5Å; L470-V476 PolarHBondContact O-N 3.01Å; L470-L478 HydrophobicContact CD1-CB 4.28Å; L470-L490 HydrophobicContact CD1-CD2 3.79Å
471	E	85.3	Confident	85.3	Confident	49 Å²	49	32.9 Å²	32.9	23%	0.229	15%	0.148	C	C	.	.	I	π-helix	trans	-66	-44.6	179.5	-171.4	-157.9	121.1	0	0	111.5	S467 Y468 R475 V476 R641	S467-E471 WeakPolarHBondContact O-CB 3.03Å; S467-E471 PolarHBondContact O-N 2.95Å; Y468-E471 PolarHBondContact O-N 3.47Å; E471-R475 PolarHBondContact O-NH1 2.81Å; E471-V476 WeakPolarHBondContact CA-O 3.38Å; E471-V476 PolarHBondContact N-O 2.99Å; E471-R641 IonicContact OE2-CZ 3.16Å; E471-R641 IonicContact OE2-NH1 2.67Å; E471-R641 PolarHBondContact OE2-NH1 3.5Å; E471-R641 IonicContact OE2-NH2 3.37Å; E471-R641 PolarHBondContact OE2-NH2 3.5Å
472	K	82.7	Confident	85.3	Confident	87 Å²	87	33.9 Å²	33.9	38%	0.378	15%	0.154	S	C	.	.	I	π-helix	trans	-81.4	-37.1	-174.7	-64.5	-41.3	-175.1	-160.2	0	114.3	Y468 R475 V651	Y468-K472 HydrophobicContact CD1-CG 4.01Å; Y468-K472 HydrophobicContact CD2-CG 4.32Å; Y468-K472 HydrophobicContact CE1-CG 3.72Å; Y468-K472 HydrophobicContact CE2-CD 4.42Å; Y468-K472 VanDerWaalsContact CE2-CE 3.46Å; Y468-K472 HydrophobicContact CE2-CG 4.07Å; Y468-K472 HydrophobicContact CG-CG 4.31Å; Y468-K472 WeakPolarHBondContact O-CB 3.07Å; Y468-K472 WeakPolarHBondContact O-CG 3.24Å; Y468-K472 PolarHBondContact O-N 3.3Å; K472-R475 VanDerWaalsContact C-NH1 3.35Å; K472-R475 PolarHBondContact O-NH1 3.16Å; K472-V651 HydrophobicContact CB-CG2 4.2Å
473	M	78.5	Confident	85.1	Confident	62 Å²	62	42.2 Å²	42.2	31%	0.305	19%	0.19	S	C	.	.	I	π-helix	trans	-95.7	-48.8	-178.8	-56.1	-166.3	-54.7	0	0	112.5	A469 V651 W655 W657	A469-M473 HydrophobicContact CB-CE 4.31Å; A469-M473 WeakPolarHBondContact O-CB 3.43Å; A469-M473 PolarHBondContact O-N 2.61Å; M473-V651 HydrophobicContact CG-CG1 4.32Å; M473-V651 HydrophobicContact SD-CG1 4.26Å; M473-W655 HydrophobicContact CE-CD2 3.95Å; M473-W655 HydrophobicContact CE-CE3 3.84Å; M473-W655 HydrophobicContact CE-CH2 3.4Å; M473-W655 VanDerWaalsContact CE-CH2 3.4Å; M473-W655 HydrophobicContact CE-CZ2 3.49Å; M473-W655 VanDerWaalsContact CE-CZ2 3.49Å; M473-W655 HydrophobicContact CE-CZ3 3.57Å; M473-W655 HydrophobicContact SD-CD2 4.22Å; M473-W655 HydrophobicContact SD-CH2 4.37Å; M473-W655 HydrophobicContact SD-CZ2 3.84Å; M473-W657 HydrophobicContact CE-CH2 4.42Å; M473-W657 HydrophobicContact CE-CZ2 3.94Å
474	F	74.9	Confident	84.7	Confident	81 Å²	81	49.6 Å²	49.6	36%	0.355	22%	0.224	S	C	.	.	I	π-helix	trans	-96.1	-9.9	-170.7	-67.7	-78.4	0	0	0	114.6	V429 L433 L470 V476 W657	V429-F474 HydrophobicContact CG1-CD2 4.24Å; V429-F474 HydrophobicContact CG1-CE2 3.81Å; L433-F474 HydrophobicContact CD1-CD1 4.19Å; L433-F474 HydrophobicContact CD1-CD2 4.09Å; L433-F474 HydrophobicContact CD1-CE1 3.87Å; L433-F474 HydrophobicContact CD1-CE2 3.75Å; L433-F474 HydrophobicContact CD1-CG 4.29Å; L433-F474 HydrophobicContact CD1-CZ 3.65Å; L433-F474 HydrophobicContact CD2-CG 4.49Å; L470-F474 HydrophobicContact CD2-CB 4.49Å; L470-F474 HydrophobicContact CD2-CD2 4.15Å; L470-F474 CarbonylContact O-C 3.01Å; L470-F474 WeakPolarHBondContact O-CA 3.41Å; L470-F474 WeakPolarHBondContact O-CB 3.29Å; L470-F474 PolarHBondContact O-N 2.97Å; F474-V476 HydrophobicContact CB-CB 4.39Å; F474-V476 HydrophobicContact CB-CG2 4.06Å; F474-V476 PolarHBondContact O-N 3.44Å; F474-W657 AromaticContact CE2-CH2 3.88Å; F474-W657 HydrophobicContact CE2-CH2 3.88Å; F474-W657 HydrophobicContact CE2-CZ2 4.34Å; F474-W657 AromaticContact CZ-CH2 3.59Å; F474-W657 HydrophobicContact CZ-CH2 3.59Å; F474-W657 HydrophobicContact CZ-CZ2 4.09Å; F474-W657 HydrophobicContact CZ-CZ3 4.23Å
475	R	80.1	Confident	84.3	Confident	131 Å²	131	53.4 Å²	53.4	49%	0.494	25%	0.245	S	C	.	.			trans	55.4	41.9	-169.8	-60	-73.4	176.6	-90.6	-13.2	111.8	L470 E471 K472 T493	L470-R475 PolarHBondContact O-N 2.88Å; E471-R475 PolarHBondContact O-NH1 2.81Å; K472-R475 VanDerWaalsContact C-NH1 3.35Å; K472-R475 PolarHBondContact O-NH1 3.16Å; R475-T493 PolarHBondContact O-N 3.47Å; R475-T493 PolarHBondContact O-OG1 3.35Å; R475-T493 VanDerWaalsContact O-OG1 3.1Å
476	V	84.8	Confident	84.3	Confident	22 Å²	22	55.1 Å²	55.1	13%	0.133	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.1	177.1	-178.2	0	0	0	0	109	L470 E471 F474 L490 I491	L470-V476 CarbonylContact C-O 3.41Å; L470-V476 WeakPolarHBondContact CB-O 3.36Å; L470-V476 HydrophobicContact CD2-CB 4.5Å; L470-V476 PolarHBondContact O-N 3.01Å; E471-V476 WeakPolarHBondContact CA-O 3.38Å; E471-V476 PolarHBondContact N-O 2.99Å; F474-V476 HydrophobicContact CB-CB 4.39Å; F474-V476 HydrophobicContact CB-CG2 4.06Å; F474-V476 PolarHBondContact O-N 3.44Å; V476-L490 HydrophobicContact CG1-CB 3.6Å; V476-L490 HydrophobicContact CG1-CD1 4.16Å; V476-L490 HydrophobicContact CG1-CD2 3.8Å; V476-L490 HydrophobicContact CG1-CG 4.05Å; V476-I491 CarbonylContact C-O 3.55Å; V476-I491 WeakPolarHBondContact CA-O 3.42Å
477	N	85.1	Confident	84.3	Confident	44 Å²	44	56.1 Å²	56.1	24%	0.235	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	129.6	177.5	-169.8	-8.8	0	0	0	109.7	K479 I491 T493	N477-K479 PolarHBondContact O-N 3.46Å; N477-I491 PolarHBondContact N-O 3.38Å; N477-I491 PolarHBondContact O-N 2.92Å; N477-T493 HydrophobicContact CB-CG2 3.69Å
478	L	88.8	Confident	84.2	Confident	5 Å²	5	56.6 Å²	56.6	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	106.3	174.3	-180	66.9	0	0	0	109.1	L432 I463 L470 Y488 L490	L432-L478 HydrophobicContact CD1-CD1 4.08Å; L432-L478 HydrophobicContact CD1-CD2 3.76Å; L432-L478 HydrophobicContact CD1-CG 4.49Å; L432-L478 HydrophobicContact CD2-CD1 3.86Å; I463-L478 HydrophobicContact CD1-CD2 3.92Å; I463-L478 HydrophobicContact CG1-CD2 3.56Å; L470-L478 HydrophobicContact CD1-CB 4.28Å; L478-Y488 HydrophobicContact CG-CD1 4.35Å; L478-L490 HydrophobicContact CB-CD2 4.06Å; L478-L490 HydrophobicContact CD1-CD2 3.69Å; L478-L490 HydrophobicContact CG-CD2 4.49Å
479	K	88.3	Confident	84.4	Confident	28 Å²	28	55 Å²	55	12%	0.122	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.3	-176.4	-179	152	178.9	153.2	0	112.2	N477 Y488 I489 I491 E633	N477-K479 PolarHBondContact O-N 3.46Å; K479-Y488 CarbonylContact O-C 3.45Å; K479-Y488 VanDerWaalsContact O-CA 3.31Å; K479-Y488 WeakPolarHBondContact O-CA 3.42Å; K479-I489 PolarHBondContact N-O 3.5Å; K479-I489 PolarHBondContact O-N 3.41Å; K479-I491 HydrophobicContact CB-CD1 3.7Å; K479-I491 HydrophobicContact CB-CG1 4.39Å; K479-I491 HydrophobicContact CD-CD1 3.88Å; K479-I491 HydrophobicContact CG-CD1 4.21Å; K479-E633 WeakPolarHBondContact CE-OE2 3.36Å; K479-E633 IonicContact NZ-OE1 2.74Å; K479-E633 IonicContact NZ-OE2 3.9Å; K479-E633 PolarHBondContact NZ-OE2 3.27Å
480	E	88.4	Confident	84.5	Confident	59 Å²	59	55.2 Å²	55.2	28%	0.276	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	121.7	169.9	-160.2	174.3	126.3	0	0	109.5	K483 L487 Y488	E480-K483 WeakPolarHBondContact OE1-CA 3.49Å; E480-K483 WeakPolarHBondContact OE1-CG 3.48Å; E480-L487 CarbonylContact C-O 3.54Å; E480-L487 WeakPolarHBondContact CA-O 3.4Å; E480-Y488 HydrophobicContact CB-CD1 3.8Å; E480-Y488 HydrophobicContact CB-CE1 3.55Å; E480-Y488 HydrophobicContact CG-CD1 4.06Å; E480-Y488 HydrophobicContact CG-CE1 3.57Å; E480-Y488 HydrophobicContact CG-CE2 4.42Å; E480-Y488 WeakPolarHBondContact OE2-CE1 3.5Å; E480-Y488 PolarHBondContact OE2-OH 3.39Å
481	I	84.8	Confident	84.3	Confident	18 Å²	18	56.6 Å²	56.6	9%	0.092	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-25.4	-178.6	70.7	173.5	0	0	0	112.4	P441 L487 I489 L586	P441-I481 HydrophobicContact CB-CD1 4.01Å; P441-I481 HydrophobicContact CG-CD1 4.02Å; I481-L487 HydrophobicContact CD1-CB 4.17Å; I481-L487 HydrophobicContact CG1-CB 3.72Å; I481-L487 PolarHBondContact N-O 3.14Å; I481-I489 HydrophobicContact CD1-CG2 4.14Å; I481-I489 HydrophobicContact CG2-CB 4.25Å; I481-I489 HydrophobicContact CG2-CD1 3.66Å; I481-I489 HydrophobicContact CG2-CG1 3.55Å; I481-I489 HydrophobicContact CG2-CG2 3.86Å; I481-L586 HydrophobicContact CB-CB 4.49Å; I481-L586 HydrophobicContact CD1-CB 4.21Å; I481-L586 WeakPolarHBondContact O-CD2 3.27Å
482	D	82.1	Confident	84	Confident	33 Å²	33	57.6 Å²	57.6	18%	0.176	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	117.7	-177.2	177.2	10.4	0	0	0	110.5	Q484 N485 N486 L487 L586	D482-Q484 WeakPolarHBondContact OD1-CB 3.44Å; D482-Q484 PolarHBondContact OD1-N 2.8Å; D482-N485 VanDerWaalsContact OD2-CB 3.32Å; D482-N485 WeakPolarHBondContact OD2-CB 3.28Å; D482-N485 PolarHBondContact OD2-N 3.31Å; D482-N485 PolarHBondContact OD2-ND2 3.1Å; D482-N486 WeakPolarHBondContact O-CA 3.35Å; D482-N486 PolarHBondContact O-N 3.07Å; D482-L487 HydrophobicContact CB-CB 4.32Å; D482-L487 HydrophobicContact CB-CD1 4.35Å; D482-L487 PolarHBondContact O-N 2.95Å; D482-L586 HydrophobicContact CB-CD2 4.28Å
483	K	83.1	Confident	83.1	Confident	175 Å²	175	56.7 Å²	56.7	76%	0.761	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-19.2	-179.7	-55.8	-172.6	173.5	-177.5	0	113.5	E480 N486	E480-K483 WeakPolarHBondContact OE1-CA 3.49Å; E480-K483 WeakPolarHBondContact OE1-CG 3.48Å; K483-N486 PolarHBondContact O-ND2 3.04Å
484	Q	80.7	Confident	81.7	Confident	171 Å²	171	60 Å²	60	80%	0.799	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-53.4	178.6	-59.6	-175.2	-5.5	0	0	109.7	D482 N486	D482-Q484 WeakPolarHBondContact OD1-CB 3.44Å; D482-Q484 PolarHBondContact OD1-N 2.8Å; Q484-N486 VanDerWaalsContact C-N 3.32Å; Q484-N486 PolarHBondContact O-ND2 2.99Å
485	N	80.9	Confident	80.3	Confident	108 Å²	108	63.3 Å²	63.3	58%	0.578	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-1.2	177.8	-64.4	-77.9	0	0	0	113.8	D482 L487	D482-N485 VanDerWaalsContact OD2-CB 3.32Å; D482-N485 WeakPolarHBondContact OD2-CB 3.28Å; D482-N485 PolarHBondContact OD2-N 3.31Å; D482-N485 PolarHBondContact OD2-ND2 3.1Å; N485-L487 HydrophobicContact CB-CD1 3.85Å; N485-L487 HydrophobicContact CB-CG 3.81Å; N485-L487 PolarHBondContact O-N 2.84Å
486	N	86.8	Confident	78.3	Confident	48 Å²	48	59.5 Å²	59.5	26%	0.257	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	55.8	-178	-67.2	-113.2	0	0	0	111.6	R444 D482 K483 Q484 Y488	R444-N486 HydrophobicContact CB-CB 3.56Å; R444-N486 HydrophobicContact CG-CB 4.49Å; R444-N486 PolarHBondContact N-O 3.01Å; D482-N486 WeakPolarHBondContact O-CA 3.35Å; D482-N486 PolarHBondContact O-N 3.07Å; K483-N486 PolarHBondContact O-ND2 3.04Å; Q484-N486 VanDerWaalsContact C-N 3.32Å; Q484-N486 PolarHBondContact O-ND2 2.99Å; N486-Y488 WeakPolarHBondContact O-CD2 3.2Å; N486-Y488 WeakPolarHBondContact O-CE2 3.41Å
487	L	89.3	Confident	76	Confident	21 Å²	21	64.7 Å²	64.7	11%	0.11	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	135.6	-176.2	-68.2	171.6	0	0	0	111.5	P441 K443 E480 I481 D482 N485	P441-L487 HydrophobicContact CB-CB 4.44Å; P441-L487 HydrophobicContact CB-CD2 4.37Å; K443-L487 HydrophobicContact CB-CD2 4.47Å; K443-L487 HydrophobicContact CG-CD2 3.63Å; E480-L487 CarbonylContact C-O 3.54Å; E480-L487 WeakPolarHBondContact CA-O 3.4Å; I481-L487 HydrophobicContact CD1-CB 4.17Å; I481-L487 HydrophobicContact CG1-CB 3.72Å; I481-L487 PolarHBondContact N-O 3.14Å; D482-L487 HydrophobicContact CB-CB 4.32Å; D482-L487 HydrophobicContact CB-CD1 4.35Å; D482-L487 PolarHBondContact O-N 2.95Å; N485-L487 HydrophobicContact CB-CD1 3.85Å; N485-L487 HydrophobicContact CB-CG 3.81Å; N485-L487 PolarHBondContact O-N 2.84Å
488	Y	87.8	Confident	73.4	Confident	12 Å²	12	65.6 Å²	65.6	5%	0.047	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	148.7	-178.5	-58.1	-94.4	0	0	0	111.7	P441 I442 R444 M447 I463 L478 K479 E480 N486	P441-Y488 CarbonylContact C-O 3.6Å; P441-Y488 WeakPolarHBondContact CA-O 3.12Å; I442-Y488 PolarHBondContact N-O 3.33Å; I442-Y488 PolarHBondContact O-N 3.26Å; R444-Y488 HydrophobicContact CB-CE2 4.1Å; M447-Y488 HydrophobicContact CE-CD2 3.35Å; M447-Y488 HydrophobicContact CE-CE2 3.56Å; M447-Y488 HydrophobicContact CE-CG 4.01Å; I463-Y488 HydrophobicContact CD1-CD1 4.29Å; I463-Y488 HydrophobicContact CD1-CE1 3.89Å; L478-Y488 HydrophobicContact CG-CD1 4.35Å; K479-Y488 CarbonylContact O-C 3.45Å; K479-Y488 VanDerWaalsContact O-CA 3.31Å; K479-Y488 WeakPolarHBondContact O-CA 3.42Å; E480-Y488 HydrophobicContact CB-CD1 3.8Å; E480-Y488 HydrophobicContact CB-CE1 3.55Å; E480-Y488 HydrophobicContact CG-CD1 4.06Å; E480-Y488 HydrophobicContact CG-CE1 3.57Å; E480-Y488 HydrophobicContact CG-CE2 4.42Å; E480-Y488 WeakPolarHBondContact OE2-CE1 3.5Å; E480-Y488 PolarHBondContact OE2-OH 3.39Å; N486-Y488 WeakPolarHBondContact O-CD2 3.2Å; N486-Y488 WeakPolarHBondContact O-CE2 3.41Å
489	I	88.9	Confident	71.1	Confident	1 Å²	1	66.3 Å²	66.3	1%	0.005	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	158.6	168.6	66.3	174.5	0	0	0	110.2	P441 K479 I481 I491 R587 H590	P441-I489 HydrophobicContact CB-CG2 3.99Å; P441-I489 HydrophobicContact CG-CG2 4.01Å; K479-I489 PolarHBondContact N-O 3.5Å; K479-I489 PolarHBondContact O-N 3.41Å; I481-I489 HydrophobicContact CD1-CG2 4.14Å; I481-I489 HydrophobicContact CG2-CB 4.25Å; I481-I489 HydrophobicContact CG2-CD1 3.66Å; I481-I489 HydrophobicContact CG2-CG1 3.55Å; I481-I489 HydrophobicContact CG2-CG2 3.86Å; I489-I491 HydrophobicContact CD1-CD1 4.02Å; I489-I491 HydrophobicContact CD1-CG1 3.75Å; I489-I491 HydrophobicContact CG1-CD1 4.26Å; I489-I491 HydrophobicContact CG1-CG1 3.85Å; I489-R587 HydrophobicContact CD1-CG 3.99Å; I489-R587 HydrophobicContact CG2-CG 4.36Å; I489-H590 HydrophobicContact CD1-CB 3.91Å
490	L	86.3	Confident	68.7	Low	4 Å²	4	68 Å²	68	2%	0.021	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	127.3	166.8	-71.3	-171.8	0	0	0	109.5	L432 L433 D436 L470 V476 L478 R587	L432-L490 HydrophobicContact CB-CD1 4.11Å; L432-L490 HydrophobicContact CB-CD2 4.46Å; L432-L490 WeakPolarHBondContact O-CD1 3.45Å; L433-L490 HydrophobicContact CD2-CD1 4.17Å; D436-L490 HydrophobicContact CB-CB 4.11Å; D436-L490 HydrophobicContact CB-CD1 3.8Å; D436-L490 HydrophobicContact CB-CG 4.22Å; L470-L490 HydrophobicContact CD1-CD2 3.79Å; V476-L490 HydrophobicContact CG1-CB 3.6Å; V476-L490 HydrophobicContact CG1-CD1 4.16Å; V476-L490 HydrophobicContact CG1-CD2 3.8Å; V476-L490 HydrophobicContact CG1-CG 4.05Å; L478-L490 HydrophobicContact CB-CD2 4.06Å; L478-L490 HydrophobicContact CD1-CD2 3.69Å; L478-L490 HydrophobicContact CG-CD2 4.49Å; L490-R587 PolarHBondContact O-NH2 2.98Å
491	I	83.1	Confident	66.4	Low	30 Å²	30	68.4 Å²	68.4	15%	0.154	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.6	177.5	-49.4	173.5	0	0	0	107.8	V476 N477 K479 I489 T493 H590	V476-I491 CarbonylContact C-O 3.55Å; V476-I491 WeakPolarHBondContact CA-O 3.42Å; N477-I491 PolarHBondContact N-O 3.38Å; N477-I491 PolarHBondContact O-N 2.92Å; K479-I491 HydrophobicContact CB-CD1 3.7Å; K479-I491 HydrophobicContact CB-CG1 4.39Å; K479-I491 HydrophobicContact CD-CD1 3.88Å; K479-I491 HydrophobicContact CG-CD1 4.21Å; I489-I491 HydrophobicContact CD1-CD1 4.02Å; I489-I491 HydrophobicContact CD1-CG1 3.75Å; I489-I491 HydrophobicContact CG1-CD1 4.26Å; I489-I491 HydrophobicContact CG1-CG1 3.85Å; I491-T493 PolarHBondContact O-N 2.87Å; I491-H590 HydrophobicContact CD1-CB 3.89Å
492	S	79.3	Confident	64.1	Low	70 Å²	70	69.6 Å²	69.6	49%	0.49	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	129.7	171.5	-175.8	0	0	0	0	110	Q494	S492-Q494 PolarHBondContact OG-N 2.97Å
493	T	63.2	Low	61.9	Low	67 Å²	67	70.3 Å²	70.3	41%	0.411	40%	0.397	S	S	.	.			trans	-82.1	-3.8	174.5	63.7	0	0	0	0	112.4	R475 N477 I491 E495	R475-T493 PolarHBondContact O-N 3.47Å; R475-T493 PolarHBondContact O-OG1 3.35Å; R475-T493 VanDerWaalsContact O-OG1 3.1Å; N477-T493 HydrophobicContact CB-CG2 3.69Å; I491-T493 PolarHBondContact O-N 2.87Å; T493-E495 VanDerWaalsContact C-N 3.33Å; T493-E495 PolarHBondContact O-N 3Å
494	Q	49.8	Very low	59.9	Low	131 Å²	131	66 Å²	66	61%	0.612	39%	0.386	S	S	*	.			trans	-76.7	85.6	172.7	-169.7	172.4	-4.9	0	0	109.9	S492 S496	S492-Q494 PolarHBondContact OG-N 2.97Å; Q494-S496 WeakPolarHBondContact CG-OG 3.2Å; Q494-S496 PolarHBondContact NE2-OG 2.94Å; Q494-S496 PolarHBondContact O-N 3.37Å
495	E	45.7	Very low	58	Low	152 Å²	152	66.4 Å²	66.4	71%	0.71	39%	0.385	S	S	*	.			trans	-67.2	69.3	155.8	-69.1	-148.7	119.8	0	0	109.8	T493 S497 K596	T493-E495 VanDerWaalsContact C-N 3.33Å; T493-E495 PolarHBondContact O-N 3Å; E495-S497 PolarHBondContact O-N 3.48Å; E495-S497 VanDerWaalsContact O-N 3.14Å; E495-K596 WeakPolarHBondContact OE1-CE 3.43Å; E495-K596 IonicContact OE1-NZ 3.5Å; E495-K596 PolarHBondContact OE1-NZ 2.96Å
496	S	37.6	Very low	56.6	Low	50 Å²	50	66.7 Å²	66.7	35%	0.35	39%	0.386	S	S	.	.			trans	-57.9	118.9	160.7	-77.6	0	0	0	0	107.6	Q494 A498 G499	Q494-S496 WeakPolarHBondContact CG-OG 3.2Å; Q494-S496 PolarHBondContact NE2-OG 2.94Å; Q494-S496 PolarHBondContact O-N 3.37Å; S496-A498 WeakPolarHBondContact CB-O 3.43Å; S496-A498 PolarHBondContact O-N 2.71Å; S496-G499 WeakPolarHBondContact O-CA 3.48Å
497	S	35.4	Very low	55.8	Low	132 Å²	132	67.8 Å²	67.8	92%	0.923	40%	0.395	S	S	*	.	S	Bend	trans	-57	-14.2	170.5	44.7	0	0	0	0	112.8	E495	E495-S497 PolarHBondContact O-N 3.48Å; E495-S497 VanDerWaalsContact O-N 3.14Å
498	A	32.1	Very low	55.2	Low	62 Å²	62	69.7 Å²	69.7	51%	0.512	41%	0.408	S	S	.	.	S	Bend	trans	-137.4	102.7	159	0	0	0	0	0	111.2	S496	S496-A498 WeakPolarHBondContact CB-O 3.43Å; S496-A498 PolarHBondContact O-N 2.71Å
499	G	38.6	Very low	55	Low	20 Å²	20	72 Å²	72	21%	0.206	42%	0.418	C	S	.	.	S	Bend	cis	135.3	154.3	-25.2	0	0	0	0	0	114	S496 M501 G502 T503	S496-G499 WeakPolarHBondContact O-CA 3.48Å; G499-M501 PolarHBondContact O-N 3.39Å; G499-G502 PolarHBondContact O-N 3Å; G499-T503 PolarHBondContact O-N 2.75Å
500	I	38.5	Very low	54.7	Low	64 Å²	64	75 Å²	75	33%	0.328	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-21.3	171.2	-61.1	172.8	0	0	0	111.8	M514	I500-M514 HydrophobicContact CG2-CE 3.99Å; I500-M514 HydrophobicContact CG2-CG 4.17Å; I500-M514 HydrophobicContact CG2-SD 3.85Å
501	M	40	Very low	54.6	Low	68 Å²	68	75.7 Å²	75.7	34%	0.335	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-4.7	177.7	-146.9	178.2	-60.8	0	0	114.2	G499 K596 K599 K603	G499-M501 PolarHBondContact O-N 3.39Å; M501-K596 WeakPolarHBondContact CE-O 3.45Å; M501-K599 HydrophobicContact CE-CB 3.51Å; M501-K599 HydrophobicContact CE-CD 4.2Å; M501-K599 HydrophobicContact SD-CB 3.93Å; M501-K603 PolarHBondContact O-NZ 2.91Å; M501-K603 VanDerWaalsContact O-NZ 3.14Å
502	G	36.8	Very low	54.8	Low	42 Å²	42	74.7 Å²	74.7	43%	0.433	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-36.2	-174	0	0	0	0	0	114.5	G499	G499-G502 PolarHBondContact O-N 3Å
503	T	36.3	Very low	55.3	Low	48 Å²	48	71.6 Å²	71.6	29%	0.294	42%	0.415	S	S	.	.			trans	-129.3	81.1	170.4	53.1	0	0	0	0	111.4	G499 K505 D506	G499-T503 PolarHBondContact O-N 2.75Å; T503-K505 HydrophobicContact CG2-CD 4.43Å; T503-K505 PolarHBondContact O-N 3Å; T503-D506 VanDerWaalsContact CB-OD2 3.28Å; T503-D506 WeakPolarHBondContact CB-OD2 3.2Å; T503-D506 VanDerWaalsContact O-OD2 3.14Å; T503-D506 PolarHBondContact OG1-OD2 2.69Å
504	T	40	Very low	56.5	Low	85 Å²	85	68.6 Å²	68.6	52%	0.521	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	13.6	158.5	52.1	0	0	0	0	112.6	D506	T504-D506 VanDerWaalsContact C-N 3.31Å
505	K	41.1	Very low	58.4	Low	179 Å²	179	64.1 Å²	64.1	78%	0.778	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-25.9	177	-60.6	-172.9	176.4	-172	0	112.1	T503	T503-K505 HydrophobicContact CG2-CD 4.43Å; T503-K505 PolarHBondContact O-N 3Å
506	D	51.9	Low	60.5	Low	115 Å²	115	57 Å²	57	62%	0.615	35%	0.345	S	S	*	.	S	Bend	trans	-87.3	-18.7	-156.9	-51.1	-35.2	0	0	0	113.5	T503 T504	T503-D506 VanDerWaalsContact CB-OD2 3.28Å; T503-D506 WeakPolarHBondContact CB-OD2 3.2Å; T503-D506 VanDerWaalsContact O-OD2 3.14Å; T503-D506 PolarHBondContact OG1-OD2 2.69Å; T504-D506 VanDerWaalsContact C-N 3.31Å
507	T	69.6	Low	63.1	Low	71 Å²	71	54.6 Å²	54.6	44%	0.436	33%	0.328	S	S	.	.			trans	-161.8	129	155.5	-45.5	0	0	0	0	110.5	K509 L510	T507-K509 VanDerWaalsContact C-N 3.26Å; T507-K509 HydrophobicContact CG2-CB 3.89Å; T507-K509 HydrophobicContact CG2-CG 4.32Å; T507-K509 PolarHBondContact O-N 3.35Å; T507-L510 PolarHBondContact O-N 3.43Å; T507-L510 VanDerWaalsContact O-N 3.09Å
508	P	78.1	Confident	65.8	Low	60 Å²	60	48.9 Å²	48.9	39%	0.39	29%	0.288	S	S	.	.	H	α-helix	trans	-61.5	-32.9	177.8	24	-33.8	0	0	0	112.8	L510 G511 L512 F550	P508-L510 PolarHBondContact O-N 2.95Å; P508-G511 PolarHBondContact O-N 3.23Å; P508-G511 VanDerWaalsContact O-N 3.08Å; P508-L512 PolarHBondContact O-N 2.95Å; P508-L512 VanDerWaalsContact O-N 3.11Å; P508-F550 HydrophobicContact CB-CE1 3.92Å; P508-F550 HydrophobicContact CB-CZ 4.26Å
509	K	82.8	Confident	68.6	Low	60 Å²	60	46.9 Å²	46.9	26%	0.261	27%	0.27	S	S	.	.	H	α-helix	trans	-53.6	-37.2	174.2	-71.7	-177.6	163.3	-170.3	0	113	T507 L512 L513 F550 L556 E560 F561	T507-K509 VanDerWaalsContact C-N 3.26Å; T507-K509 HydrophobicContact CG2-CB 3.89Å; T507-K509 HydrophobicContact CG2-CG 4.32Å; T507-K509 PolarHBondContact O-N 3.35Å; K509-L512 PolarHBondContact O-N 3.44Å; K509-L513 PolarHBondContact O-N 2.86Å; K509-F550 HydrophobicContact CG-CD1 4.4Å; K509-L556 HydrophobicContact CD-CD1 3.9Å; K509-L556 HydrophobicContact CG-CD1 4.23Å; K509-L556 HydrophobicContact CG-CD2 4.23Å; K509-E560 IonicContact NZ-OE1 2.65Å; K509-E560 PolarHBondContact NZ-OE1 3.47Å; K509-E560 IonicContact NZ-OE2 3.77Å; K509-E560 PolarHBondContact NZ-OE2 3.46Å; K509-F561 WeakPolarHBondContact O-CZ 3.42Å
510	L	82.3	Confident	71.2	Confident	65 Å²	65	46 Å²	46	34%	0.34	26%	0.26	S	S	.	.	H	α-helix	trans	-71.3	-35.6	179.2	-177.7	60.3	0	0	0	111.6	T507 P508 L513 M514	T507-L510 PolarHBondContact O-N 3.43Å; T507-L510 VanDerWaalsContact O-N 3.09Å; P508-L510 PolarHBondContact O-N 2.95Å; L510-L513 HydrophobicContact CD1-CD2 4.26Å; L510-L513 PolarHBondContact O-N 3.3Å; L510-M514 WeakPolarHBondContact O-CG 3.47Å; L510-M514 PolarHBondContact O-N 3.02Å
511	G	83.8	Confident	73.7	Confident	18 Å²	18	43 Å²	43	19%	0.186	24%	0.244	C	C	.	.	H	α-helix	trans	-61.4	-45.2	171.5	0	0	0	0	0	112.1	P508 L513 M514 V515	P508-G511 PolarHBondContact O-N 3.23Å; P508-G511 VanDerWaalsContact O-N 3.08Å; G511-L513 PolarHBondContact O-N 3.49Å; G511-M514 PolarHBondContact O-N 2.97Å; G511-V515 WeakPolarHBondContact O-CG2 3.15Å; G511-V515 PolarHBondContact O-N 2.94Å; G511-V515 VanDerWaalsContact O-N 3.09Å
512	L	87.6	Confident	76	Confident	10 Å²	10	41.5 Å²	41.5	5%	0.052	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-43	174.4	179.2	60.3	0	0	0	112.1	P508 K509 V515 I516 L536 L541 F550 V553 L556	P508-L512 PolarHBondContact O-N 2.95Å; P508-L512 VanDerWaalsContact O-N 3.11Å; K509-L512 PolarHBondContact O-N 3.44Å; L512-V515 PolarHBondContact O-N 3.46Å; L512-I516 HydrophobicContact CD1-CD1 4.26Å; L512-I516 HydrophobicContact CG-CD1 4.11Å; L512-I516 WeakPolarHBondContact O-CG1 3.47Å; L512-I516 PolarHBondContact O-N 3.47Å; L512-I516 VanDerWaalsContact O-N 3.09Å; L512-L536 HydrophobicContact CD1-CD2 3.56Å; L512-L541 HydrophobicContact CD1-CD1 3.7Å; L512-L541 HydrophobicContact CD2-CD1 4.35Å; L512-F550 HydrophobicContact CB-CE1 3.92Å; L512-F550 HydrophobicContact CB-CZ 4.25Å; L512-F550 HydrophobicContact CD2-CD1 3.83Å; L512-F550 HydrophobicContact CD2-CD2 4.46Å; L512-F550 HydrophobicContact CD2-CE1 3.97Å; L512-F550 HydrophobicContact CD2-CG 4.11Å; L512-F550 HydrophobicContact CD2-CZ 4.39Å; L512-V553 HydrophobicContact CD2-CG1 4.44Å; L512-L556 HydrophobicContact CD2-CD2 3.75Å
513	L	89.5	Confident	78.4	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.021	24%	0.237	C	C	.	.	H	α-helix	trans	-61.5	-44	175	176.9	61.5	0	0	0	112.1	K509 L510 G511 V515 I516 L517 F561 Y566 L567	K509-L513 PolarHBondContact O-N 2.86Å; L510-L513 HydrophobicContact CD1-CD2 4.26Å; L510-L513 PolarHBondContact O-N 3.3Å; G511-L513 PolarHBondContact O-N 3.49Å; L513-V515 VanDerWaalsContact C-N 3.3Å; L513-V515 PolarHBondContact O-N 2.96Å; L513-I516 PolarHBondContact O-N 2.88Å; L513-I516 VanDerWaalsContact O-N 3.15Å; L513-L517 HydrophobicContact CD1-CD1 4.14Å; L513-L517 HydrophobicContact CD1-CD2 4.49Å; L513-L517 HydrophobicContact CD1-CG 4Å; L513-L517 HydrophobicContact CG-CD1 3.96Å; L513-L517 HydrophobicContact CG-CG 4.28Å; L513-L517 WeakPolarHBondContact O-CG 3.48Å; L513-L517 PolarHBondContact O-N 3.31Å; L513-F561 HydrophobicContact CB-CE1 4.26Å; L513-F561 HydrophobicContact CB-CE2 4.07Å; L513-F561 HydrophobicContact CB-CZ 3.89Å; L513-F561 HydrophobicContact CD1-CD2 3.98Å; L513-F561 HydrophobicContact CD1-CE2 4.28Å; L513-F561 HydrophobicContact CD1-CG 4.13Å; L513-Y566 HydrophobicContact CD2-CD1 3.69Å; L513-Y566 HydrophobicContact CD2-CD2 3.72Å; L513-Y566 HydrophobicContact CD2-CE1 4.13Å; L513-Y566 HydrophobicContact CD2-CE2 4.17Å; L513-Y566 HydrophobicContact CD2-CG 3.47Å; L513-Y566 VanDerWaalsContact CD2-CG 3.47Å; L513-L567 HydrophobicContact CD1-CD2 4.32Å; L513-L567 HydrophobicContact CD1-CG 4.2Å
514	M	88.3	Confident	80.7	Confident	4 Å²	4	43.2 Å²	43.2	2%	0.02	25%	0.246	C	C	.	.	H	α-helix	trans	-60.6	-37.2	177.1	-76.5	-67.1	-64.3	0	0	112.5	I500 L510 G511 S518 T592 V597 F600	I500-M514 HydrophobicContact CG2-CE 3.99Å; I500-M514 HydrophobicContact CG2-CG 4.17Å; I500-M514 HydrophobicContact CG2-SD 3.85Å; L510-M514 WeakPolarHBondContact O-CG 3.47Å; L510-M514 PolarHBondContact O-N 3.02Å; G511-M514 PolarHBondContact O-N 2.97Å; M514-S518 WeakPolarHBondContact O-CB 3.11Å; M514-S518 PolarHBondContact O-N 2.89Å; M514-S518 PolarHBondContact O-OG 3.1Å; M514-T592 HydrophobicContact SD-CG2 4.03Å; M514-V597 HydrophobicContact CE-CG2 3.92Å; M514-V597 HydrophobicContact SD-CG2 4.21Å; M514-F600 HydrophobicContact CB-CD1 4.35Å; M514-F600 HydrophobicContact CB-CE1 4.1Å; M514-F600 HydrophobicContact CB-CE2 4.45Å; M514-F600 HydrophobicContact CB-CZ 4.15Å; M514-F600 HydrophobicContact CE-CB 3.87Å; M514-F600 HydrophobicContact CE-CD1 4.42Å; M514-F600 HydrophobicContact CE-CD2 4.37Å; M514-F600 HydrophobicContact CE-CG 3.98Å
515	V	89.6	Confident	83	Confident	38 Å²	38	40.6 Å²	40.6	23%	0.23	23%	0.229	C	C	.	.	H	α-helix	trans	-63.6	-47.5	172.2	172.6	0	0	0	0	111	G511 L512 L513 L517 S518 V519 L539 F600	G511-V515 WeakPolarHBondContact O-CG2 3.15Å; G511-V515 PolarHBondContact O-N 2.94Å; G511-V515 VanDerWaalsContact O-N 3.09Å; L512-V515 PolarHBondContact O-N 3.46Å; L513-V515 VanDerWaalsContact C-N 3.3Å; L513-V515 PolarHBondContact O-N 2.96Å; V515-L517 PolarHBondContact O-N 3.45Å; V515-S518 WeakPolarHBondContact O-CB 3.49Å; V515-S518 PolarHBondContact O-N 3.11Å; V515-S518 VanDerWaalsContact O-N 3.15Å; V515-V519 WeakPolarHBondContact O-CG2 3.29Å; V515-V519 PolarHBondContact O-N 3.31Å; V515-L539 HydrophobicContact CG1-CD1 4.03Å; V515-F600 HydrophobicContact CG2-CE1 3.96Å; V515-F600 HydrophobicContact CG2-CZ 4.04Å
516	I	91.6	Very high	85.5	Confident	2 Å²	2	36.8 Å²	36.8	1%	0.01	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-44.2	-179.7	-64.5	162.5	0	0	0	111.3	L512 L513 S518 V519 I520 I532 I557 F561 L567	L512-I516 HydrophobicContact CD1-CD1 4.26Å; L512-I516 HydrophobicContact CG-CD1 4.11Å; L512-I516 WeakPolarHBondContact O-CG1 3.47Å; L512-I516 PolarHBondContact O-N 3.47Å; L512-I516 VanDerWaalsContact O-N 3.09Å; L513-I516 PolarHBondContact O-N 2.88Å; L513-I516 VanDerWaalsContact O-N 3.15Å; I516-S518 VanDerWaalsContact C-N 3.25Å; I516-S518 PolarHBondContact O-N 3.14Å; I516-V519 PolarHBondContact O-N 3.11Å; I516-I520 HydrophobicContact CG2-CD1 3.82Å; I516-I520 HydrophobicContact CG2-CG1 4.49Å; I516-I520 WeakPolarHBondContact O-CG1 3.37Å; I516-I520 PolarHBondContact O-N 2.97Å; I516-I532 HydrophobicContact CG2-CD1 4.22Å; I516-I557 HydrophobicContact CD1-CD1 3.59Å; I516-I557 HydrophobicContact CD1-CG1 3.72Å; I516-I557 HydrophobicContact CD1-CG2 4.46Å; I516-F561 HydrophobicContact CD1-CD2 4.49Å; I516-F561 HydrophobicContact CD1-CE2 4.17Å; I516-L567 HydrophobicContact CG2-CD1 3.97Å; I516-L567 HydrophobicContact CG2-CD2 4.11Å
517	L	92.2	Very high	87.4	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-34.7	174.8	-68.8	174.3	0	0	0	112	L513 V515 F521 L567 W584 V597	L513-L517 HydrophobicContact CD1-CD1 4.14Å; L513-L517 HydrophobicContact CD1-CD2 4.49Å; L513-L517 HydrophobicContact CD1-CG 4Å; L513-L517 HydrophobicContact CG-CD1 3.96Å; L513-L517 HydrophobicContact CG-CG 4.28Å; L513-L517 WeakPolarHBondContact O-CG 3.48Å; L513-L517 PolarHBondContact O-N 3.31Å; V515-L517 PolarHBondContact O-N 3.45Å; L517-F521 WeakPolarHBondContact O-CB 3.49Å; L517-F521 PolarHBondContact O-N 2.91Å; L517-L567 HydrophobicContact CD2-CD2 3.82Å; L517-W584 HydrophobicContact CB-CZ2 4.21Å; L517-W584 HydrophobicContact CD2-CD2 4.01Å; L517-W584 HydrophobicContact CD2-CG 3.84Å; L517-W584 PolarHBondContact O-NE1 3.48Å; L517-V597 HydrophobicContact CB-CG1 4.36Å; L517-V597 HydrophobicContact CB-CG2 4.45Å
518	S	91.1	Very high	88.4	Confident	11 Å²	11	30.1 Å²	30.1	8%	0.077	18%	0.178	C	C	.	.	H	α-helix	trans	-65.6	-46.4	174.1	-57.5	0	0	0	0	112.1	M514 V515 I516 F521 M522 V597 F600	M514-S518 WeakPolarHBondContact O-CB 3.11Å; M514-S518 PolarHBondContact O-N 2.89Å; M514-S518 PolarHBondContact O-OG 3.1Å; V515-S518 WeakPolarHBondContact O-CB 3.49Å; V515-S518 PolarHBondContact O-N 3.11Å; V515-S518 VanDerWaalsContact O-N 3.15Å; I516-S518 VanDerWaalsContact C-N 3.25Å; I516-S518 PolarHBondContact O-N 3.14Å; S518-F521 PolarHBondContact O-N 3.24Å; S518-M522 WeakPolarHBondContact O-CG 3.47Å; S518-M522 PolarHBondContact O-N 3.34Å; S518-V597 WeakPolarHBondContact OG-CG1 3.26Å; S518-F600 WeakPolarHBondContact OG-CD1 3.32Å
519	V	91.2	Very high	89	Confident	21 Å²	21	28.7 Å²	28.7	13%	0.127	17%	0.166	C	C	.	.	H	α-helix	trans	-61.3	-45.9	177.6	173.9	0	0	0	0	111	V515 I516 F521 M522 N523 A527 V531 I532 V535	V515-V519 WeakPolarHBondContact O-CG2 3.29Å; V515-V519 PolarHBondContact O-N 3.31Å; I516-V519 PolarHBondContact O-N 3.11Å; V519-F521 VanDerWaalsContact C-N 3.31Å; V519-F521 PolarHBondContact O-N 2.97Å; V519-M522 PolarHBondContact O-N 3.41Å; V519-N523 WeakPolarHBondContact O-CB 3.48Å; V519-N523 PolarHBondContact O-N 3.31Å; V519-N523 VanDerWaalsContact O-N 3.15Å; V519-N523 PolarHBondContact O-ND2 2.88Å; V519-A527 HydrophobicContact CG1-CB 4.5Å; V519-V531 HydrophobicContact CG1-CG1 4.44Å; V519-I532 HydrophobicContact CG1-CG1 4.19Å; V519-V535 HydrophobicContact CG1-CG2 4.3Å; V519-V535 HydrophobicContact CG2-CB 4.21Å; V519-V535 HydrophobicContact CG2-CG1 3.91Å; V519-V535 HydrophobicContact CG2-CG2 4.01Å
520	I	93.2	Very high	89.2	Confident	0 Å²	0	29 Å²	29	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62	-39.6	177	-64.2	164.6	0	0	0	111.1	I516 N525 K526 A527 I532 L567 F582	I516-I520 HydrophobicContact CG2-CD1 3.82Å; I516-I520 HydrophobicContact CG2-CG1 4.49Å; I516-I520 WeakPolarHBondContact O-CG1 3.37Å; I516-I520 PolarHBondContact O-N 2.97Å; I520-N525 WeakPolarHBondContact CG2-O 3.32Å; I520-N525 CarbonylContact O-C 3.57Å; I520-N525 WeakPolarHBondContact O-CA 3.4Å; I520-N525 PolarHBondContact O-N 3.4Å; I520-K526 PolarHBondContact O-N 3.23Å; I520-K526 VanDerWaalsContact O-N 3.17Å; I520-A527 HydrophobicContact CG1-CB 4.06Å; I520-I532 HydrophobicContact CD1-CD1 4.17Å; I520-I532 HydrophobicContact CG1-CD1 3.92Å; I520-L567 HydrophobicContact CD1-CD2 3.62Å; I520-F582 HydrophobicContact CD1-CB 3.81Å; I520-F582 HydrophobicContact CG1-CB 4.29Å
521	F	91.3	Very high	89.6	Confident	1 Å²	1	28.3 Å²	28.3	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-70.1	-45.4	179.5	-176.9	-131.3	0	0	0	112.5	L517 S518 V519 N523 G524 N525 W584 K594 L598 Q615 A619	L517-F521 WeakPolarHBondContact O-CB 3.49Å; L517-F521 PolarHBondContact O-N 2.91Å; S518-F521 PolarHBondContact O-N 3.24Å; V519-F521 VanDerWaalsContact C-N 3.31Å; V519-F521 PolarHBondContact O-N 2.97Å; F521-N523 VanDerWaalsContact C-N 3.27Å; F521-N523 PolarHBondContact O-N 3.26Å; F521-G524 PolarHBondContact O-N 3.02Å; F521-N525 PolarHBondContact O-N 2.66Å; F521-W584 HydrophobicContact CB-CZ2 4.14Å; F521-W584 HydrophobicContact CG-CZ2 4.49Å; F521-K594 HydrophobicContact CD2-CD 4.16Å; F521-K594 HydrophobicContact CD2-CG 4.1Å; F521-K594 HydrophobicContact CE1-CB 4.24Å; F521-K594 HydrophobicContact CE2-CB 4.15Å; F521-K594 HydrophobicContact CE2-CD 3.62Å; F521-K594 HydrophobicContact CE2-CG 3.82Å; F521-K594 HydrophobicContact CZ-CB 3.88Å; F521-K594 HydrophobicContact CZ-CD 4.14Å; F521-K594 HydrophobicContact CZ-CG 4.09Å; F521-L598 HydrophobicContact CE1-CB 4.11Å; F521-L598 HydrophobicContact CE1-CD1 4.29Å; F521-Q615 HydrophobicContact CE1-CB 3.85Å; F521-Q615 HydrophobicContact CE1-CG 4.39Å; F521-Q615 HydrophobicContact CZ-CB 3.73Å; F521-Q615 HydrophobicContact CZ-CG 4.29Å; F521-Q615 WeakPolarHBondContact CZ-O 3.46Å; F521-A619 HydrophobicContact CZ-CB 4.35Å
522	M	87.6	Confident	90	Very high	37 Å²	37	27.7 Å²	27.7	18%	0.182	17%	0.17	C	C	.	.	H	α-helix	trans	-60.9	-35.8	179.1	-71.1	-59.8	176.3	0	0	112.8	S518 V519 G524 L598 A601 W612 Q615	S518-M522 WeakPolarHBondContact O-CG 3.47Å; S518-M522 PolarHBondContact O-N 3.34Å; V519-M522 PolarHBondContact O-N 3.41Å; M522-G524 PolarHBondContact O-N 3.04Å; M522-L598 HydrophobicContact CE-CD1 3.78Å; M522-A601 HydrophobicContact CE-CB 3.46Å; M522-A601 VanDerWaalsContact CE-CB 3.46Å; M522-W612 HydrophobicContact CE-CD2 3.72Å; M522-W612 HydrophobicContact CE-CE3 3.51Å; M522-W612 HydrophobicContact CE-CG 4.47Å; M522-W612 HydrophobicContact CE-CH2 3.71Å; M522-W612 HydrophobicContact CE-CZ2 3.94Å; M522-W612 HydrophobicContact CE-CZ3 3.49Å; M522-W612 VanDerWaalsContact CE-CZ3 3.49Å; M522-W612 HydrophobicContact SD-CD2 4.13Å; M522-W612 HydrophobicContact SD-CG 4.4Å; M522-W612 HydrophobicContact SD-CZ2 4.43Å; M522-Q615 HydrophobicContact SD-CG 4.4Å
523	N	87.2	Confident	90.1	Very high	79 Å²	79	28.2 Å²	28.2	42%	0.422	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	14.9	176	-67.4	-14	0	0	0	114.1	V519 F521 K526 A527 V531	V519-N523 WeakPolarHBondContact O-CB 3.48Å; V519-N523 PolarHBondContact O-N 3.31Å; V519-N523 VanDerWaalsContact O-N 3.15Å; V519-N523 PolarHBondContact O-ND2 2.88Å; F521-N523 VanDerWaalsContact C-N 3.27Å; F521-N523 PolarHBondContact O-N 3.26Å; N523-K526 WeakPolarHBondContact CB-O 3.43Å; N523-A527 HydrophobicContact CB-CB 4.41Å; N523-V531 WeakPolarHBondContact ND2-CG1 3.49Å
524	G	84.5	Confident	90.1	Very high	47 Å²	47	32 Å²	32	49%	0.485	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	43.3	177.2	0	0	0	0	0	113.7	F521 M522 K526	F521-G524 PolarHBondContact O-N 3.02Å; M522-G524 PolarHBondContact O-N 3.04Å; G524-K526 PolarHBondContact O-N 2.98Å
525	N	89.6	Confident	90	Very high	31 Å²	31	34.2 Å²	34.2	17%	0.166	20%	0.203	C	C	.	.	S	Bend	trans	68.4	7.8	-179.1	-55.8	-90.3	0	0	0	116.3	I520 F521 K594 E618	I520-N525 WeakPolarHBondContact CG2-O 3.32Å; I520-N525 CarbonylContact O-C 3.57Å; I520-N525 WeakPolarHBondContact O-CA 3.4Å; I520-N525 PolarHBondContact O-N 3.4Å; F521-N525 PolarHBondContact O-N 2.66Å; N525-K594 WeakPolarHBondContact OD1-CE 3.43Å; N525-K594 PolarHBondContact OD1-NZ 3.05Å; N525-E618 PolarHBondContact ND2-OE1 2.92Å; N525-E618 PolarHBondContact ND2-OE2 3Å; N525-E618 VanDerWaalsContact ND2-OE2 3.16Å; N525-E618 PolarHBondContact OD1-OE1 2.83Å
526	K	91.6	Very high	90	Very high	99 Å²	99	32.5 Å²	32.5	43%	0.43	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	147.9	174.3	72.7	-176	-164.6	120.5	0	110.7	I520 N523 G524 E581 F582 F583	I520-K526 PolarHBondContact O-N 3.23Å; I520-K526 VanDerWaalsContact O-N 3.17Å; N523-K526 WeakPolarHBondContact CB-O 3.43Å; G524-K526 PolarHBondContact O-N 2.98Å; K526-E581 IonicContact NZ-OE1 3.96Å; K526-E581 PolarHBondContact NZ-OE1 3.17Å; K526-F582 WeakPolarHBondContact CA-O 3.45Å; K526-F583 HydrophobicContact CB-CD1 3.82Å; K526-F583 HydrophobicContact CB-CE1 3.47Å; K526-F583 VanDerWaalsContact CB-CE1 3.47Å; K526-F583 HydrophobicContact CB-CZ 4.13Å; K526-F583 HydrophobicContact CD-CE1 4.36Å
527	A	92.4	Very high	89.8	Confident	4 Å²	4	38.3 Å²	38.3	3%	0.033	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	142.8	168.9	0	0	0	0	0	110.9	V519 I520 N523 I532 E581 F582	V519-A527 HydrophobicContact CG1-CB 4.5Å; I520-A527 HydrophobicContact CG1-CB 4.06Å; N523-A527 HydrophobicContact CB-CB 4.41Å; A527-I532 HydrophobicContact CB-CD1 3.99Å; A527-I532 HydrophobicContact CB-CG1 4.02Å; A527-E581 CarbonylContact O-C 3.55Å; A527-E581 WeakPolarHBondContact O-CA 3.45Å; A527-F582 PolarHBondContact N-O 3.33Å; A527-F582 PolarHBondContact O-N 3.27Å
528	S	91	Very high	89.3	Confident	42 Å²	42	43.4 Å²	43.4	29%	0.294	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	153.7	172	63.3	0	0	0	0	111	A530 V531 I532 Y580	S528-A530 PolarHBondContact O-N 3.02Å; S528-V531 PolarHBondContact O-N 2.77Å; S528-V531 WeakPolarHBondContact OG-CG2 3.07Å; S528-I532 PolarHBondContact O-N 2.95Å; S528-Y580 WeakPolarHBondContact CA-O 3.42Å
529	E	90.7	Very high	88.8	Confident	29 Å²	29	46.5 Å²	46.5	14%	0.136	25%	0.251	C	S	.	.	H	α-helix	trans	-53.4	-37.7	175	171.8	166.8	-152.3	0	0	111.5	I532 W533 K554 Y569 Y580 F582	E529-I532 PolarHBondContact O-N 2.96Å; E529-W533 PolarHBondContact O-N 2.73Å; E529-W533 PolarHBondContact OE1-NE1 3.46Å; E529-K554 WeakPolarHBondContact OE1-CE 3.36Å; E529-K554 IonicContact OE1-NZ 3.55Å; E529-K554 PolarHBondContact OE1-NZ 3.04Å; E529-K554 IonicContact OE2-NZ 2.71Å; E529-Y569 PolarHBondContact OE2-OH 3.16Å; E529-Y580 PolarHBondContact N-O 3.45Å; E529-F582 HydrophobicContact CB-CD2 4.42Å; E529-F582 HydrophobicContact CB-CE2 3.94Å; E529-F582 HydrophobicContact CG-CE2 4.25Å
530	A	88	Confident	88.2	Confident	67 Å²	67	47.9 Å²	47.9	55%	0.554	27%	0.27	S	S	*	.	H	α-helix	trans	-60.9	-45.3	179.2	0	0	0	0	0	113.3	S528 W533 E534	S528-A530 PolarHBondContact O-N 3.02Å; A530-W533 PolarHBondContact O-N 2.9Å; A530-E534 PolarHBondContact O-N 2.88Å
531	V	90.1	Very high	87.9	Confident	51 Å²	51	48.3 Å²	48.3	31%	0.309	27%	0.272	S	S	.	.	H	α-helix	trans	-69.6	-37.5	-179.2	175	0	0	0	0	111.2	V519 N523 S528 E534 V535	V519-V531 HydrophobicContact CG1-CG1 4.44Å; N523-V531 WeakPolarHBondContact ND2-CG1 3.49Å; S528-V531 PolarHBondContact O-N 2.77Å; S528-V531 WeakPolarHBondContact OG-CG2 3.07Å; V531-E534 PolarHBondContact O-N 3.12Å; V531-V535 PolarHBondContact O-N 3.43Å; V531-V535 VanDerWaalsContact O-N 3.16Å
532	I	91	Very high	87.2	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-63.3	-45.2	173.1	-73.1	169.1	0	0	0	110.4	I516 V519 I520 A527 S528 E529 E534 V535 L536 F582	I516-I532 HydrophobicContact CG2-CD1 4.22Å; V519-I532 HydrophobicContact CG1-CG1 4.19Å; I520-I532 HydrophobicContact CD1-CD1 4.17Å; I520-I532 HydrophobicContact CG1-CD1 3.92Å; A527-I532 HydrophobicContact CB-CD1 3.99Å; A527-I532 HydrophobicContact CB-CG1 4.02Å; S528-I532 PolarHBondContact O-N 2.95Å; E529-I532 PolarHBondContact O-N 2.96Å; I532-E534 VanDerWaalsContact C-N 3.28Å; I532-E534 PolarHBondContact O-N 2.82Å; I532-V535 PolarHBondContact O-N 2.92Å; I532-L536 HydrophobicContact CG2-CD1 3.61Å; I532-L536 HydrophobicContact CG2-CG 4.27Å; I532-L536 WeakPolarHBondContact O-CB 3.43Å; I532-L536 WeakPolarHBondContact O-CG 3.41Å; I532-L536 PolarHBondContact O-N 3.41Å; I532-F582 HydrophobicContact CD1-CB 3.62Å; I532-F582 HydrophobicContact CD1-CD2 3.55Å; I532-F582 HydrophobicContact CD1-CE2 4.34Å; I532-F582 HydrophobicContact CD1-CG 3.72Å
533	W	90.1	Very high	86.8	Confident	21 Å²	21	53.9 Å²	53.9	8%	0.08	30%	0.303	C	S	.	.	H	α-helix	trans	-68.1	-21.3	174.7	-74.7	119.5	0	0	0	114.5	E529 A530 L536 R537 P543 V553 K554 I557	E529-W533 PolarHBondContact O-N 2.73Å; E529-W533 PolarHBondContact OE1-NE1 3.46Å; A530-W533 PolarHBondContact O-N 2.9Å; W533-L536 HydrophobicContact CD2-CD1 4.32Å; W533-L536 HydrophobicContact CE3-CB 4.05Å; W533-L536 HydrophobicContact CE3-CD1 3.77Å; W533-L536 HydrophobicContact CH2-CD1 4.39Å; W533-L536 HydrophobicContact CZ3-CB 4.41Å; W533-L536 HydrophobicContact CZ3-CD1 3.82Å; W533-R537 WeakPolarHBondContact O-CB 3.42Å; W533-R537 WeakPolarHBondContact O-CG 3.35Å; W533-R537 PolarHBondContact O-N 3.32Å; W533-R537 PolarHBondContact O-NE 3.05Å; W533-P543 HydrophobicContact CD2-CB 4.03Å; W533-P543 HydrophobicContact CD2-CG 4.23Å; W533-P543 HydrophobicContact CE3-CB 4Å; W533-P543 HydrophobicContact CE3-CG 4.17Å; W533-P543 HydrophobicContact CH2-CB 3.95Å; W533-P543 HydrophobicContact CZ2-CB 3.95Å; W533-P543 HydrophobicContact CZ3-CB 3.96Å; W533-V553 HydrophobicContact CH2-CB 4.27Å; W533-V553 HydrophobicContact CH2-CG1 3.98Å; W533-V553 HydrophobicContact CZ3-CB 4.46Å; W533-V553 HydrophobicContact CZ3-CG1 4.04Å; W533-K554 HydrophobicContact CH2-CB 3.85Å; W533-K554 HydrophobicContact CZ2-CB 3.67Å; W533-K554 HydrophobicContact CZ2-CD 4.01Å; W533-K554 HydrophobicContact CZ2-CG 3.9Å; W533-I557 HydrophobicContact CH2-CD1 4.29Å
534	E	89.3	Confident	86.1	Confident	83 Å²	83	52.6 Å²	52.6	39%	0.388	31%	0.309	S	S	.	.	H	α-helix	trans	-68.5	-52.1	169.8	-163.5	-169.3	140.9	0	0	111.4	A530 V531 I532 L536 R537 K538	A530-E534 PolarHBondContact O-N 2.88Å; V531-E534 PolarHBondContact O-N 3.12Å; I532-E534 VanDerWaalsContact C-N 3.28Å; I532-E534 PolarHBondContact O-N 2.82Å; E534-L536 VanDerWaalsContact C-N 3.29Å; E534-L536 PolarHBondContact O-N 3.03Å; E534-R537 PolarHBondContact O-N 3.37Å; E534-K538 PolarHBondContact O-N 3.4Å; E534-K538 VanDerWaalsContact O-N 3.08Å; E534-K538 WeakPolarHBondContact OE1-CE 3.46Å; E534-K538 IonicContact OE1-NZ 2.65Å; E534-K538 PolarHBondContact OE1-NZ 3.17Å; E534-K538 VanDerWaalsContact OE1-NZ 3.17Å
535	V	87.4	Confident	85.9	Confident	51 Å²	51	54.6 Å²	54.6	31%	0.309	31%	0.311	S	S	.	.	H	α-helix	trans	-61.1	-40.1	177.7	-179.6	0	0	0	0	111.1	V519 V531 I532 K538 L539	V519-V535 HydrophobicContact CG1-CG2 4.3Å; V519-V535 HydrophobicContact CG2-CB 4.21Å; V519-V535 HydrophobicContact CG2-CG1 3.91Å; V519-V535 HydrophobicContact CG2-CG2 4.01Å; V531-V535 PolarHBondContact O-N 3.43Å; V531-V535 VanDerWaalsContact O-N 3.16Å; I532-V535 PolarHBondContact O-N 2.92Å; V535-K538 PolarHBondContact O-N 2.92Å; V535-L539 WeakPolarHBondContact O-CG 3.39Å; V535-L539 PolarHBondContact O-N 2.92Å
536	L	88.1	Confident	85.5	Confident	2 Å²	2	60.8 Å²	60.8	1%	0.01	34%	0.336	C	S	.	.	H	α-helix	trans	-66.8	-37.9	177.1	-68.1	172.1	0	0	0	113	L512 I532 W533 E534 K538 L539 G540 L541 I557	L512-L536 HydrophobicContact CD1-CD2 3.56Å; I532-L536 HydrophobicContact CG2-CD1 3.61Å; I532-L536 HydrophobicContact CG2-CG 4.27Å; I532-L536 WeakPolarHBondContact O-CB 3.43Å; I532-L536 WeakPolarHBondContact O-CG 3.41Å; I532-L536 PolarHBondContact O-N 3.41Å; W533-L536 HydrophobicContact CD2-CD1 4.32Å; W533-L536 HydrophobicContact CE3-CB 4.05Å; W533-L536 HydrophobicContact CE3-CD1 3.77Å; W533-L536 HydrophobicContact CH2-CD1 4.39Å; W533-L536 HydrophobicContact CZ3-CB 4.41Å; W533-L536 HydrophobicContact CZ3-CD1 3.82Å; E534-L536 VanDerWaalsContact C-N 3.29Å; E534-L536 PolarHBondContact O-N 3.03Å; L536-K538 VanDerWaalsContact C-N 3.33Å; L536-K538 PolarHBondContact O-N 3.27Å; L536-L539 CarbonylContact O-C 3.54Å; L536-L539 WeakPolarHBondContact O-CA 3.22Å; L536-L539 WeakPolarHBondContact O-CB 3.42Å; L536-L539 PolarHBondContact O-N 3.24Å; L536-G540 PolarHBondContact O-N 3.02Å; L536-L541 CarbonylContact C-O 3.52Å; L536-L541 HydrophobicContact CB-CB 4.2Å; L536-L541 HydrophobicContact CD2-CD1 4.07Å; L536-L541 WeakPolarHBondContact O-CB 3.46Å; L536-L541 PolarHBondContact O-N 2.89Å; L536-I557 HydrophobicContact CD1-CD1 3.4Å
537	R	87.8	Confident	84.9	Confident	125 Å²	125	59.3 Å²	59.3	47%	0.472	33%	0.331	S	S	.	.	H	α-helix	trans	-62.1	-39	172.3	-80.2	176.6	-66.1	153.1	-0.8	112	W533 E534 L539 G540	W533-R537 WeakPolarHBondContact O-CB 3.42Å; W533-R537 WeakPolarHBondContact O-CG 3.35Å; W533-R537 PolarHBondContact O-N 3.32Å; W533-R537 PolarHBondContact O-NE 3.05Å; E534-R537 PolarHBondContact O-N 3.37Å; R537-L539 PolarHBondContact O-N 3.44Å; R537-G540 PolarHBondContact O-N 3.26Å
538	K	82.2	Confident	84.2	Confident	106 Å²	106	65.2 Å²	65.2	46%	0.461	37%	0.372	S	S	.	.	H	α-helix	trans	-66.5	-13.4	173.6	-63.5	-175.2	-171.8	-173.5	0	113.2	E356 E534 V535 L536	E356-K538 WeakPolarHBondContact OE1-CE 3.4Å; E356-K538 IonicContact OE1-NZ 3.56Å; E356-K538 PolarHBondContact OE1-NZ 3.19Å; E534-K538 PolarHBondContact O-N 3.4Å; E534-K538 VanDerWaalsContact O-N 3.08Å; E534-K538 WeakPolarHBondContact OE1-CE 3.46Å; E534-K538 IonicContact OE1-NZ 2.65Å; E534-K538 PolarHBondContact OE1-NZ 3.17Å; E534-K538 VanDerWaalsContact OE1-NZ 3.17Å; V535-K538 PolarHBondContact O-N 2.92Å; L536-K538 VanDerWaalsContact C-N 3.33Å; L536-K538 PolarHBondContact O-N 3.27Å
539	L	80.8	Confident	83.5	Confident	76 Å²	76	68.7 Å²	68.7	40%	0.398	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	12.8	170.4	-62	171.8	0	0	0	113.2	V515 V535 L536 R537 L541	V515-L539 HydrophobicContact CG1-CD1 4.03Å; V535-L539 WeakPolarHBondContact O-CG 3.39Å; V535-L539 PolarHBondContact O-N 2.92Å; L536-L539 CarbonylContact O-C 3.54Å; L536-L539 WeakPolarHBondContact O-CA 3.22Å; L536-L539 WeakPolarHBondContact O-CB 3.42Å; L536-L539 PolarHBondContact O-N 3.24Å; R537-L539 PolarHBondContact O-N 3.44Å; L539-L541 VanDerWaalsContact C-N 3.27Å; L539-L541 PolarHBondContact O-N 3.01Å
540	G	79.4	Confident	82.8	Confident	50 Å²	50	69 Å²	69	52%	0.515	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.3	8.5	-179.1	0	0	0	0	0	115.3	L536 R537 H542	L536-G540 PolarHBondContact O-N 3.02Å; R537-G540 PolarHBondContact O-N 3.26Å; G540-H542 PolarHBondContact O-CD2 3.03Å
541	L	85.2	Confident	82.6	Confident	10 Å²	10	67.4 Å²	67.4	5%	0.052	38%	0.378	C	S	.	.			trans	-99	101.5	-176.1	-59.9	180	0	0	0	111.1	L512 L536 L539 H547 F550 V553	L512-L541 HydrophobicContact CD1-CD1 3.7Å; L512-L541 HydrophobicContact CD2-CD1 4.35Å; L536-L541 CarbonylContact C-O 3.52Å; L536-L541 HydrophobicContact CB-CB 4.2Å; L536-L541 HydrophobicContact CD2-CD1 4.07Å; L536-L541 WeakPolarHBondContact O-CB 3.46Å; L536-L541 PolarHBondContact O-N 2.89Å; L539-L541 VanDerWaalsContact C-N 3.27Å; L539-L541 PolarHBondContact O-N 3.01Å; L541-H547 HydrophobicContact CD2-CB 4.24Å; L541-F550 HydrophobicContact CD1-CD2 4.23Å; L541-F550 HydrophobicContact CD1-CE2 4.14Å; L541-F550 HydrophobicContact CD2-CD2 3.82Å; L541-F550 HydrophobicContact CD2-CE2 4.11Å; L541-V553 HydrophobicContact CB-CG1 4.44Å; L541-V553 HydrophobicContact CB-CG2 4.47Å; L541-V553 HydrophobicContact CD2-CG2 4.23Å
542	H	77.9	Confident	82.4	Confident	94 Å²	94	67.6 Å²	67.6	44%	0.435	38%	0.376	S	S	.	.			trans	-94.9	141.9	-178.2	-67.8	-98	0	0	0	112.8	G540 V545	G540-H542 PolarHBondContact O-CD2 3.03Å; H542-V545 HydrophobicContact CB-CB 4.27Å; H542-V545 HydrophobicContact CB-CG2 3.83Å; H542-V545 PolarHBondContact O-N 3.34Å
543	P	78.4	Confident	82.2	Confident	60 Å²	60	67.4 Å²	67.4	39%	0.39	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	135.7	174.8	27	-33.3	0	0	0	111	W533 V545 K554	W533-P543 HydrophobicContact CD2-CB 4.03Å; W533-P543 HydrophobicContact CD2-CG 4.23Å; W533-P543 HydrophobicContact CE3-CB 4Å; W533-P543 HydrophobicContact CE3-CG 4.17Å; W533-P543 HydrophobicContact CH2-CB 3.95Å; W533-P543 HydrophobicContact CZ2-CB 3.95Å; W533-P543 HydrophobicContact CZ3-CB 3.96Å; P543-V545 VanDerWaalsContact C-N 3.26Å; P543-V545 PolarHBondContact O-N 3.41Å; P543-K554 HydrophobicContact CB-CD 4.48Å
544	G	72.8	Confident	82.1	Confident	53 Å²	53	69.9 Å²	69.9	55%	0.546	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	-18	-179.8	0	0	0	0	0	115.4
545	V	81.3	Confident	82.1	Confident	88 Å²	88	71.1 Å²	71.1	53%	0.533	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-80.9	140.9	173.5	-176	0	0	0	0	109.8	H542 P543	H542-V545 HydrophobicContact CB-CB 4.27Å; H542-V545 HydrophobicContact CB-CG2 3.83Å; H542-V545 PolarHBondContact O-N 3.34Å; P543-V545 VanDerWaalsContact C-N 3.26Å; P543-V545 PolarHBondContact O-N 3.41Å
546	K	79.9	Confident	82.1	Confident	161 Å²	161	69 Å²	69	70%	0.7	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	119.4	171.9	-69.9	-177.9	-179.1	177.5	0	109.8	G551 E552	K546-G551 CarbonylContact C-O 3.56Å; K546-G551 WeakPolarHBondContact CA-O 3.43Å; K546-E552 HydrophobicContact CG-CB 4.24Å
547	H	79.8	Confident	82.2	Confident	69 Å²	69	69 Å²	69	32%	0.319	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	136.7	175.1	-178.1	-94	0	0	0	110.6	L541 L549 F550 G551 V553	L541-H547 HydrophobicContact CD2-CB 4.24Å; H547-L549 PolarHBondContact ND1-N 3.16Å; H547-L549 PolarHBondContact O-N 3.35Å; H547-L549 VanDerWaalsContact O-N 3.07Å; H547-F550 HydrophobicContact CB-CB 4.31Å; H547-F550 HydrophobicContact CB-CD2 4.35Å; H547-F550 AromaticContact CE1-CD2 3.78Å; H547-F550 AromaticContact CE1-CE2 3.93Å; H547-F550 AromaticContact CG-CD2 3.9Å; H547-F550 AromaticContact ND1-CD2 3.17Å; H547-F550 WeakPolarHBondContact ND1-CD2 3.4Å; H547-F550 AromaticContact ND1-CE2 3.8Å; H547-F550 AromaticContact ND1-CG 3.97Å; H547-F550 PolarHBondContact O-N 2.82Å; H547-G551 PolarHBondContact N-O 2.98Å; H547-G551 WeakPolarHBondContact O-CA 3.32Å; H547-G551 PolarHBondContact O-N 3.42Å; H547-V553 HydrophobicContact CB-CG2 4.31Å
548	S	77.7	Confident	82.2	Confident	127 Å²	127	64.1 Å²	64.1	89%	0.888	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-33.6	-171.8	-48.4	0	0	0	0	114.6
549	L	75.6	Confident	82.4	Confident	115 Å²	115	62.1 Å²	62.1	60%	0.602	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-12.7	179.5	-57.6	179.2	0	0	0	115.1	H547	H547-L549 PolarHBondContact ND1-N 3.16Å; H547-L549 PolarHBondContact O-N 3.35Å; H547-L549 VanDerWaalsContact O-N 3.07Å
550	F	76.7	Confident	82.8	Confident	35 Å²	35	61.5 Å²	61.5	15%	0.154	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-10.7	-171	-61.4	-59	0	0	0	114.2	P508 K509 L512 L541 H547 V553 L556	P508-F550 HydrophobicContact CB-CE1 3.92Å; P508-F550 HydrophobicContact CB-CZ 4.26Å; K509-F550 HydrophobicContact CG-CD1 4.4Å; L512-F550 HydrophobicContact CB-CE1 3.92Å; L512-F550 HydrophobicContact CB-CZ 4.25Å; L512-F550 HydrophobicContact CD2-CD1 3.83Å; L512-F550 HydrophobicContact CD2-CD2 4.46Å; L512-F550 HydrophobicContact CD2-CE1 3.97Å; L512-F550 HydrophobicContact CD2-CG 4.11Å; L512-F550 HydrophobicContact CD2-CZ 4.39Å; L541-F550 HydrophobicContact CD1-CD2 4.23Å; L541-F550 HydrophobicContact CD1-CE2 4.14Å; L541-F550 HydrophobicContact CD2-CD2 3.82Å; L541-F550 HydrophobicContact CD2-CE2 4.11Å; H547-F550 HydrophobicContact CB-CB 4.31Å; H547-F550 HydrophobicContact CB-CD2 4.35Å; H547-F550 AromaticContact CE1-CD2 3.78Å; H547-F550 AromaticContact CE1-CE2 3.93Å; H547-F550 AromaticContact CG-CD2 3.9Å; H547-F550 AromaticContact ND1-CD2 3.17Å; H547-F550 WeakPolarHBondContact ND1-CD2 3.4Å; H547-F550 AromaticContact ND1-CE2 3.8Å; H547-F550 AromaticContact ND1-CG 3.97Å; H547-F550 PolarHBondContact O-N 2.82Å; F550-V553 HydrophobicContact CB-CG2 4.08Å; F550-L556 HydrophobicContact CB-CD2 3.98Å; F550-L556 HydrophobicContact CD1-CD2 4.13Å; F550-L556 HydrophobicContact CG-CD2 4.43Å
551	G	83.3	Confident	83.3	Confident	35 Å²	35	59.3 Å²	59.3	36%	0.361	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	63.5	-141.4	-168.6	0	0	0	0	0	111.1	K546 H547 V553	K546-G551 CarbonylContact C-O 3.56Å; K546-G551 WeakPolarHBondContact CA-O 3.43Å; H547-G551 PolarHBondContact N-O 2.98Å; H547-G551 WeakPolarHBondContact O-CA 3.32Å; H547-G551 PolarHBondContact O-N 3.42Å; G551-V553 PolarHBondContact O-N 3.18Å
552	E	86.7	Confident	83.6	Confident	54 Å²	54	60.4 Å²	60.4	25%	0.252	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	96.3	179.8	-167.2	-179.2	141.7	0	0	110.5	K546 K554 K555 L556	K546-E552 HydrophobicContact CG-CB 4.24Å; E552-K554 PolarHBondContact O-N 2.89Å; E552-K555 HydrophobicContact CG-CD 4.44Å; E552-K555 HydrophobicContact CG-CG 4.49Å; E552-K555 PolarHBondContact O-N 2.81Å; E552-K555 WeakPolarHBondContact OE1-CD 3.44Å; E552-K555 WeakPolarHBondContact OE1-CE 3.46Å; E552-K555 IonicContact OE1-NZ 3.74Å; E552-K555 PolarHBondContact OE1-NZ 3.36Å; E552-K555 IonicContact OE2-NZ 3.73Å; E552-K555 PolarHBondContact OE2-NZ 3.34Å; E552-L556 PolarHBondContact O-N 2.82Å; E552-L556 VanDerWaalsContact O-N 3.09Å
553	V	85.8	Confident	84.1	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.006	34%	0.338	C	S	.	.	H	α-helix	trans	-54.2	-34.5	-169	-175.8	0	0	0	0	112.8	L512 W533 L541 H547 F550 G551 L556 I557	L512-V553 HydrophobicContact CD2-CG1 4.44Å; W533-V553 HydrophobicContact CH2-CB 4.27Å; W533-V553 HydrophobicContact CH2-CG1 3.98Å; W533-V553 HydrophobicContact CZ3-CB 4.46Å; W533-V553 HydrophobicContact CZ3-CG1 4.04Å; L541-V553 HydrophobicContact CB-CG1 4.44Å; L541-V553 HydrophobicContact CB-CG2 4.47Å; L541-V553 HydrophobicContact CD2-CG2 4.23Å; H547-V553 HydrophobicContact CB-CG2 4.31Å; F550-V553 HydrophobicContact CB-CG2 4.08Å; G551-V553 PolarHBondContact O-N 3.18Å; V553-L556 WeakPolarHBondContact O-CB 3.32Å; V553-L556 PolarHBondContact O-N 2.88Å; V553-I557 HydrophobicContact CG1-CD1 3.79Å; V553-I557 HydrophobicContact CG1-CG1 4.43Å; V553-I557 WeakPolarHBondContact O-CG1 3.29Å; V553-I557 PolarHBondContact O-N 3.14Å; V553-I557 VanDerWaalsContact O-N 3.11Å
554	K	88.1	Confident	84.6	Confident	72 Å²	72	59.7 Å²	59.7	31%	0.313	32%	0.324	S	S	.	.	H	α-helix	trans	-62.7	-48.4	177.8	-178.9	148.4	177.8	149.5	0	111.6	E529 W533 P543 E552 I557 T558	E529-K554 WeakPolarHBondContact OE1-CE 3.36Å; E529-K554 IonicContact OE1-NZ 3.55Å; E529-K554 PolarHBondContact OE1-NZ 3.04Å; E529-K554 IonicContact OE2-NZ 2.71Å; W533-K554 HydrophobicContact CH2-CB 3.85Å; W533-K554 HydrophobicContact CZ2-CB 3.67Å; W533-K554 HydrophobicContact CZ2-CD 4.01Å; W533-K554 HydrophobicContact CZ2-CG 3.9Å; P543-K554 HydrophobicContact CB-CD 4.48Å; E552-K554 PolarHBondContact O-N 2.89Å; K554-I557 PolarHBondContact O-N 3.19Å; K554-T558 HydrophobicContact CG-CG2 4.12Å; K554-T558 PolarHBondContact O-N 3.48Å; K554-T558 PolarHBondContact O-OG1 2.89Å
555	K	88.8	Confident	85.3	Confident	110 Å²	110	61 Å²	61	48%	0.478	32%	0.315	S	S	.	.	H	α-helix	trans	-66.8	-36.4	176.6	-69	177	-178	138.1	0	112.1	E552 I557 D559 E560	E552-K555 HydrophobicContact CG-CD 4.44Å; E552-K555 HydrophobicContact CG-CG 4.49Å; E552-K555 PolarHBondContact O-N 2.81Å; E552-K555 WeakPolarHBondContact OE1-CD 3.44Å; E552-K555 WeakPolarHBondContact OE1-CE 3.46Å; E552-K555 IonicContact OE1-NZ 3.74Å; E552-K555 PolarHBondContact OE1-NZ 3.36Å; E552-K555 IonicContact OE2-NZ 3.73Å; E552-K555 PolarHBondContact OE2-NZ 3.34Å; K555-I557 PolarHBondContact O-N 3.19Å; K555-D559 WeakPolarHBondContact O-CA 3.47Å; K555-D559 WeakPolarHBondContact O-CB 3.38Å; K555-D559 PolarHBondContact O-N 3.12Å; K555-E560 PolarHBondContact O-N 3.04Å
556	L	88.3	Confident	85.7	Confident	6 Å²	6	57.5 Å²	57.5	3%	0.031	29%	0.292	C	S	.	.	I	π-helix	trans	-54.9	-41.9	172.8	177.9	59.2	0	0	0	111.4	K509 L512 F550 E552 V553 E560 F561	K509-L556 HydrophobicContact CD-CD1 3.9Å; K509-L556 HydrophobicContact CG-CD1 4.23Å; K509-L556 HydrophobicContact CG-CD2 4.23Å; L512-L556 HydrophobicContact CD2-CD2 3.75Å; F550-L556 HydrophobicContact CB-CD2 3.98Å; F550-L556 HydrophobicContact CD1-CD2 4.13Å; F550-L556 HydrophobicContact CG-CD2 4.43Å; E552-L556 PolarHBondContact O-N 2.82Å; E552-L556 VanDerWaalsContact O-N 3.09Å; V553-L556 WeakPolarHBondContact O-CB 3.32Å; V553-L556 PolarHBondContact O-N 2.88Å; L556-E560 HydrophobicContact CD1-CB 4.07Å; L556-E560 HydrophobicContact CD1-CG 4.35Å; L556-E560 WeakPolarHBondContact CD1-OE2 3.47Å; L556-E560 WeakPolarHBondContact O-CB 3.43Å; L556-E560 PolarHBondContact O-N 2.93Å; L556-F561 HydrophobicContact CD1-CD1 4.35Å; L556-F561 HydrophobicContact CD1-CE1 3.77Å; L556-F561 HydrophobicContact CD1-CE2 4.41Å; L556-F561 HydrophobicContact CD1-CZ 3.81Å; L556-F561 HydrophobicContact CD2-CZ 4.25Å; L556-F561 HydrophobicContact CG-CE1 4.28Å; L556-F561 HydrophobicContact CG-CE2 4.03Å; L556-F561 HydrophobicContact CG-CZ 3.82Å; L556-F561 WeakPolarHBondContact O-CG 3.32Å; L556-F561 PolarHBondContact O-N 2.87Å
557	I	89.4	Confident	86.3	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	26%	0.259	C	S	.	.	I	π-helix	trans	-83.7	-47.1	-177.5	-61.4	171.8	0	0	0	112.7	I516 W533 L536 V553 K554 K555 F561 L567 F582	I516-I557 HydrophobicContact CD1-CD1 3.59Å; I516-I557 HydrophobicContact CD1-CG1 3.72Å; I516-I557 HydrophobicContact CD1-CG2 4.46Å; W533-I557 HydrophobicContact CH2-CD1 4.29Å; L536-I557 HydrophobicContact CD1-CD1 3.4Å; V553-I557 HydrophobicContact CG1-CD1 3.79Å; V553-I557 HydrophobicContact CG1-CG1 4.43Å; V553-I557 WeakPolarHBondContact O-CG1 3.29Å; V553-I557 PolarHBondContact O-N 3.14Å; V553-I557 VanDerWaalsContact O-N 3.11Å; K554-I557 PolarHBondContact O-N 3.19Å; K555-I557 PolarHBondContact O-N 3.19Å; I557-F561 HydrophobicContact CG1-CD2 4.25Å; I557-F561 HydrophobicContact CG1-CE2 4.27Å; I557-L567 HydrophobicContact CG2-CD1 3.98Å; I557-F582 HydrophobicContact CG2-CE1 3.63Å; I557-F582 HydrophobicContact CG2-CZ 3.7Å
558	T	88.6	Confident	86.9	Confident	23 Å²	23	49.8 Å²	49.8	14%	0.141	26%	0.258	C	S	.	.	I	π-helix	trans	-79.2	-29.1	-175.9	59.9	0	0	0	0	113.7	K554 V562 F582	K554-T558 HydrophobicContact CG-CG2 4.12Å; K554-T558 PolarHBondContact O-N 3.48Å; K554-T558 PolarHBondContact O-OG1 2.89Å; T558-V562 WeakPolarHBondContact O-CB 3.23Å; T558-V562 WeakPolarHBondContact O-CG2 3.44Å; T558-F582 HydrophobicContact CG2-CZ 4.31Å
559	D	86.9	Confident	87.6	Confident	65 Å²	65	46.8 Å²	46.8	35%	0.348	23%	0.228	S	C	.	.	I	π-helix	trans	-111	-56.8	-172.8	-74.8	54.4	0	0	0	111.6	K555 K563	K555-D559 WeakPolarHBondContact O-CA 3.47Å; K555-D559 WeakPolarHBondContact O-CB 3.38Å; K555-D559 PolarHBondContact O-N 3.12Å; D559-K563 WeakPolarHBondContact O-CB 3.18Å; D559-K563 WeakPolarHBondContact O-CD 3.36Å; D559-K563 WeakPolarHBondContact O-CG 3.33Å; D559-K563 PolarHBondContact O-N 3.12Å; D559-K563 IonicContact OD2-NZ 2.81Å; D559-K563 PolarHBondContact OD2-NZ 3.38Å
560	E	87.5	Confident	88.3	Confident	62 Å²	62	46 Å²	46	29%	0.29	22%	0.22	S	C	.	.	I	π-helix	trans	-69.9	-57.9	-171	-160.7	-176.8	132.6	0	0	111	K509 K555 L556 V562 K563 Q564	K509-E560 IonicContact NZ-OE1 2.65Å; K509-E560 PolarHBondContact NZ-OE1 3.47Å; K509-E560 IonicContact NZ-OE2 3.77Å; K509-E560 PolarHBondContact NZ-OE2 3.46Å; K555-E560 PolarHBondContact O-N 3.04Å; L556-E560 HydrophobicContact CD1-CB 4.07Å; L556-E560 HydrophobicContact CD1-CG 4.35Å; L556-E560 WeakPolarHBondContact CD1-OE2 3.47Å; L556-E560 WeakPolarHBondContact O-CB 3.43Å; L556-E560 PolarHBondContact O-N 2.93Å; E560-V562 PolarHBondContact O-N 3.01Å; E560-K563 PolarHBondContact O-N 3.2Å; E560-Q564 WeakPolarHBondContact O-CB 3.37Å; E560-Q564 VanDerWaalsContact O-CG 3.24Å; E560-Q564 WeakPolarHBondContact O-CG 3.48Å; E560-Q564 PolarHBondContact O-N 3.04Å
561	F	90.6	Very high	88.8	Confident	4 Å²	4	50.7 Å²	50.7	2%	0.018	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-25.6	178.8	-63.2	-25.2	0	0	0	113.8	K509 L513 I516 L556 I557 K565 Y566 L567	K509-F561 WeakPolarHBondContact O-CZ 3.42Å; L513-F561 HydrophobicContact CB-CE1 4.26Å; L513-F561 HydrophobicContact CB-CE2 4.07Å; L513-F561 HydrophobicContact CB-CZ 3.89Å; L513-F561 HydrophobicContact CD1-CD2 3.98Å; L513-F561 HydrophobicContact CD1-CE2 4.28Å; L513-F561 HydrophobicContact CD1-CG 4.13Å; I516-F561 HydrophobicContact CD1-CD2 4.49Å; I516-F561 HydrophobicContact CD1-CE2 4.17Å; L556-F561 HydrophobicContact CD1-CD1 4.35Å; L556-F561 HydrophobicContact CD1-CE1 3.77Å; L556-F561 HydrophobicContact CD1-CE2 4.41Å; L556-F561 HydrophobicContact CD1-CZ 3.81Å; L556-F561 HydrophobicContact CD2-CZ 4.25Å; L556-F561 HydrophobicContact CG-CE1 4.28Å; L556-F561 HydrophobicContact CG-CE2 4.03Å; L556-F561 HydrophobicContact CG-CZ 3.82Å; L556-F561 WeakPolarHBondContact O-CG 3.32Å; L556-F561 PolarHBondContact O-N 2.87Å; I557-F561 HydrophobicContact CG1-CD2 4.25Å; I557-F561 HydrophobicContact CG1-CE2 4.27Å; F561-K565 PolarHBondContact O-N 3.2Å; F561-Y566 PolarHBondContact O-N 3.01Å; F561-L567 HydrophobicContact CB-CB 4.43Å; F561-L567 HydrophobicContact CB-CD1 3.91Å; F561-L567 HydrophobicContact CB-CG 4.06Å; F561-L567 HydrophobicContact CD2-CD1 4.06Å; F561-L567 HydrophobicContact CG-CD1 4.48Å; F561-L567 PolarHBondContact O-N 3.15Å; F561-L567 VanDerWaalsContact O-N 3.14Å
562	V	91.1	Very high	89	Confident	33 Å²	33	50.6 Å²	50.6	20%	0.2	23%	0.229	C	C	.	.	H	α-helix	trans	-80.6	-39.2	175.6	178.2	0	0	0	0	111.9	T558 E560 Q564 K565 L567	T558-V562 WeakPolarHBondContact O-CB 3.23Å; T558-V562 WeakPolarHBondContact O-CG2 3.44Å; E560-V562 PolarHBondContact O-N 3.01Å; V562-Q564 VanDerWaalsContact C-N 3.32Å; V562-K565 PolarHBondContact O-N 3.43Å; V562-K565 VanDerWaalsContact O-N 3.08Å; V562-L567 HydrophobicContact CG2-CB 4.1Å
563	K	88.9	Confident	88.9	Confident	122 Å²	122	53.2 Å²	53.2	53%	0.53	25%	0.25	S	S	.	.	H	α-helix	trans	-64.9	-37	171.8	-72.6	162.2	-163.4	166.1	0	111.3	P441 D559 E560 K565	P441-K563 WeakPolarHBondContact CD-O 3.37Å; D559-K563 WeakPolarHBondContact O-CB 3.18Å; D559-K563 WeakPolarHBondContact O-CD 3.36Å; D559-K563 WeakPolarHBondContact O-CG 3.33Å; D559-K563 PolarHBondContact O-N 3.12Å; D559-K563 IonicContact OD2-NZ 2.81Å; D559-K563 PolarHBondContact OD2-NZ 3.38Å; E560-K563 PolarHBondContact O-N 3.2Å; K563-K565 PolarHBondContact O-N 3.37Å
564	Q	88.3	Confident	88.3	Confident	18 Å²	18	60.9 Å²	60.9	8%	0.084	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-7	172.7	-66.8	170.2	-15.3	0	0	113.6	T438 K439 E560 V562 Y566 R587	T438-Q564 PolarHBondContact O-NE2 2.94Å; K439-Q564 HydrophobicContact CB-CG 3.97Å; K439-Q564 WeakPolarHBondContact O-CA 3.47Å; K439-Q564 WeakPolarHBondContact O-CB 3.44Å; K439-Q564 WeakPolarHBondContact O-CG 3.5Å; E560-Q564 WeakPolarHBondContact O-CB 3.37Å; E560-Q564 VanDerWaalsContact O-CG 3.24Å; E560-Q564 WeakPolarHBondContact O-CG 3.48Å; E560-Q564 PolarHBondContact O-N 3.04Å; V562-Q564 VanDerWaalsContact C-N 3.32Å; Q564-Y566 HydrophobicContact CB-CD2 3.56Å; Q564-Y566 HydrophobicContact CB-CE2 3.89Å; Q564-Y566 PolarHBondContact O-N 3.44Å; Q564-R587 WeakPolarHBondContact O-CB 3.37Å; Q564-R587 WeakPolarHBondContact O-CD 3.42Å
565	K	89.1	Confident	87.8	Confident	81 Å²	81	58 Å²	58	35%	0.352	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.8	25.4	-177	-60.7	-67.5	-173.7	176.2	0	114.7	P441 F561 V562 K563 G585 L586 R587	P441-K565 HydrophobicContact CG-CB 4.02Å; P441-K565 HydrophobicContact CG-CG 3.85Å; F561-K565 PolarHBondContact O-N 3.2Å; V562-K565 PolarHBondContact O-N 3.43Å; V562-K565 VanDerWaalsContact O-N 3.08Å; K563-K565 PolarHBondContact O-N 3.37Å; K565-G585 CarbonylContact O-C 3.13Å; K565-G585 WeakPolarHBondContact O-CA 3.34Å; K565-L586 PolarHBondContact O-N 3.31Å; K565-R587 HydrophobicContact CB-CB 4.28Å; K565-R587 WeakPolarHBondContact O-CB 3.3Å; K565-R587 PolarHBondContact O-N 3.42Å
566	Y	89.4	Confident	87	Confident	14 Å²	14	64 Å²	64	6%	0.055	30%	0.3	C	S	.	.	S	Bend	trans	-76.1	-34.4	166.8	-71.4	-65.2	0	0	0	111.9	K439 L513 F561 Q564 G585 R587 S588 E591	K439-Y566 HydrophobicContact CB-CE2 4.35Å; L513-Y566 HydrophobicContact CD2-CD1 3.69Å; L513-Y566 HydrophobicContact CD2-CD2 3.72Å; L513-Y566 HydrophobicContact CD2-CE1 4.13Å; L513-Y566 HydrophobicContact CD2-CE2 4.17Å; L513-Y566 HydrophobicContact CD2-CG 3.47Å; L513-Y566 VanDerWaalsContact CD2-CG 3.47Å; F561-Y566 PolarHBondContact O-N 3.01Å; Q564-Y566 HydrophobicContact CB-CD2 3.56Å; Q564-Y566 HydrophobicContact CB-CE2 3.89Å; Q564-Y566 PolarHBondContact O-N 3.44Å; Y566-G585 PolarHBondContact O-N 3.46Å; Y566-R587 HydrophobicContact CD1-CB 4.03Å; Y566-R587 HydrophobicContact CD1-CG 3.96Å; Y566-R587 HydrophobicContact CE1-CB 4.27Å; Y566-R587 HydrophobicContact CE1-CG 3.66Å; Y566-R587 PolarHBondContact OH-NE 2.92Å; Y566-S588 VanDerWaalsContact CA-OG 3.25Å; Y566-S588 WeakPolarHBondContact CA-OG 3.33Å; Y566-S588 PolarHBondContact O-OG 3.45Å; Y566-E591 WeakPolarHBondContact CE1-OE2 2.99Å; Y566-E591 VanDerWaalsContact CZ-OE2 3.29Å; Y566-E591 PolarHBondContact OH-OE2 2.9Å
567	L	92.7	Very high	86.6	Confident	1 Å²	1	68.4 Å²	68.4	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	152	174.2	-62.4	178.7	0	0	0	110.2	L513 I516 L517 I520 I557 F561 V562 F582	L513-L567 HydrophobicContact CD1-CD2 4.32Å; L513-L567 HydrophobicContact CD1-CG 4.2Å; I516-L567 HydrophobicContact CG2-CD1 3.97Å; I516-L567 HydrophobicContact CG2-CD2 4.11Å; L517-L567 HydrophobicContact CD2-CD2 3.82Å; I520-L567 HydrophobicContact CD1-CD2 3.62Å; I557-L567 HydrophobicContact CG2-CD1 3.98Å; F561-L567 HydrophobicContact CB-CB 4.43Å; F561-L567 HydrophobicContact CB-CD1 3.91Å; F561-L567 HydrophobicContact CB-CG 4.06Å; F561-L567 HydrophobicContact CD2-CD1 4.06Å; F561-L567 HydrophobicContact CG-CD1 4.48Å; F561-L567 PolarHBondContact O-N 3.15Å; F561-L567 VanDerWaalsContact O-N 3.14Å; V562-L567 HydrophobicContact CG2-CB 4.1Å; L567-F582 HydrophobicContact CB-CD1 4.37Å; L567-F582 HydrophobicContact CD1-CD1 4.09Å; L567-F582 HydrophobicContact CD1-CE1 4.29Å
568	E	92.3	Very high	86.2	Confident	67 Å²	67	71.9 Å²	71.9	31%	0.313	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126.6	164.4	-170.8	-174	-149.4	0	0	108.8	K570 F582 F583	E568-K570 HydrophobicContact CG-CD 4.39Å; E568-K570 HydrophobicContact CG-CG 4.4Å; E568-K570 WeakPolarHBondContact OE1-CE 3.5Å; E568-K570 IonicContact OE1-NZ 3.17Å; E568-K570 PolarHBondContact OE1-NZ 3.45Å; E568-K570 VanDerWaalsContact OE2-CE 3.32Å; E568-K570 WeakPolarHBondContact OE2-CE 3.36Å; E568-K570 IonicContact OE2-NZ 2.65Å; E568-K570 PolarHBondContact OE2-NZ 3.43Å; E568-F582 WeakPolarHBondContact O-CA 3.5Å; E568-F583 HydrophobicContact CB-CB 4.38Å; E568-F583 PolarHBondContact N-O 3.06Å; E568-F583 PolarHBondContact O-N 3.41Å
569	Y	91.8	Very high	86.1	Confident	63 Å²	63	75.8 Å²	75.8	25%	0.247	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	116.7	-176.5	180	-113.8	0	0	0	109.1	E529 Y580 F582	E529-Y569 PolarHBondContact OE2-OH 3.16Å; Y569-Y580 HydrophobicContact CD1-CD1 4.18Å; Y569-Y580 AromaticContact CE1-CD1 3.45Å; Y569-Y580 HydrophobicContact CE1-CD1 3.45Å; Y569-Y580 VanDerWaalsContact CE1-CD1 3.45Å; Y569-Y580 AromaticContact CE1-CE1 3.85Å; Y569-Y580 HydrophobicContact CE1-CE1 3.85Å; Y569-Y580 HydrophobicContact CE1-CG 4.06Å; Y569-Y580 HydrophobicContact CE2-CD1 4.04Å; Y569-Y580 AromaticContact CE2-CG 3.91Å; Y569-Y580 HydrophobicContact CE2-CG 3.91Å; Y569-Y580 AromaticContact CZ-CD1 3.39Å; Y569-Y580 AromaticContact CZ-CG 3.47Å; Y569-Y580 VanDerWaalsContact CZ-CG 3.47Å; Y569-Y580 WeakPolarHBondContact OH-CD1 3.48Å; Y569-F582 AromaticContact CD2-CD1 3.84Å; Y569-F582 HydrophobicContact CD2-CD1 3.84Å; Y569-F582 AromaticContact CD2-CD2 3.94Å; Y569-F582 HydrophobicContact CD2-CD2 3.94Å; Y569-F582 AromaticContact CD2-CE1 3.42Å; Y569-F582 HydrophobicContact CD2-CE1 3.42Å; Y569-F582 VanDerWaalsContact CD2-CE1 3.42Å; Y569-F582 AromaticContact CD2-CE2 3.55Å; Y569-F582 HydrophobicContact CD2-CE2 3.55Å; Y569-F582 HydrophobicContact CD2-CG 4.09Å; Y569-F582 AromaticContact CD2-CZ 3.28Å; Y569-F582 HydrophobicContact CD2-CZ 3.28Å; Y569-F582 HydrophobicContact CE2-CD2 4.22Å; Y569-F582 HydrophobicContact CE2-CE1 4.11Å; Y569-F582 AromaticContact CE2-CE2 3.52Å; Y569-F582 HydrophobicContact CE2-CE2 3.52Å; Y569-F582 AromaticContact CE2-CZ 3.46Å; Y569-F582 HydrophobicContact CE2-CZ 3.46Å; Y569-F582 VanDerWaalsContact CE2-CZ 3.46Å; Y569-F582 HydrophobicContact CG-CE1 4.11Å; Y569-F582 HydrophobicContact CG-CZ 4.28Å
570	K	89.9	Confident	86.2	Confident	100 Å²	100	76.3 Å²	76.3	44%	0.435	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138.8	-174.3	-82.5	167.5	166.7	155.7	0	110.3	E568 Y580 E581 F583	E568-K570 HydrophobicContact CG-CD 4.39Å; E568-K570 HydrophobicContact CG-CG 4.4Å; E568-K570 WeakPolarHBondContact OE1-CE 3.5Å; E568-K570 IonicContact OE1-NZ 3.17Å; E568-K570 PolarHBondContact OE1-NZ 3.45Å; E568-K570 VanDerWaalsContact OE2-CE 3.32Å; E568-K570 WeakPolarHBondContact OE2-CE 3.36Å; E568-K570 IonicContact OE2-NZ 2.65Å; E568-K570 PolarHBondContact OE2-NZ 3.43Å; K570-Y580 CarbonylContact O-C 3.56Å; K570-Y580 VanDerWaalsContact O-CA 3.31Å; K570-Y580 WeakPolarHBondContact O-CA 3.4Å; K570-E581 PolarHBondContact N-O 2.65Å; K570-E581 PolarHBondContact O-N 3Å; K570-F583 HydrophobicContact CB-CE2 4.09Å; K570-F583 HydrophobicContact CD-CD2 4.16Å; K570-F583 HydrophobicContact CD-CE2 4.05Å
571	R	88.6	Confident	86.4	Confident	133 Å²	133	75.2 Å²	75.2	50%	0.502	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	132.9	169.6	-171.8	-175	166.8	176.2	-1.8	109.6	P573 S575 E579 Y580	R571-P573 WeakPolarHBondContact O-CD 3.34Å; R571-S575 PolarHBondContact NH2-O 2.91Å; R571-S575 VanDerWaalsContact NH2-O 3.07Å; R571-E579 CarbonylContact C-O 3.53Å; R571-E579 WeakPolarHBondContact CA-O 3.5Å; R571-E579 VanDerWaalsContact CG-O 3.29Å; R571-E579 WeakPolarHBondContact CG-O 3.24Å; R571-Y580 HydrophobicContact CB-CD1 3.85Å; R571-Y580 HydrophobicContact CB-CE1 3.73Å; R571-Y580 HydrophobicContact CG-CD1 4.29Å; R571-Y580 HydrophobicContact CG-CE1 4.05Å
572	V	86.4	Confident	86.6	Confident	33 Å²	33	75.1 Å²	75.1	20%	0.2	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-64.6	122.7	173.8	179.7	0	0	0	0	109.4	S575 E579 E581	V572-S575 WeakPolarHBondContact O-CB 3.41Å; V572-S575 PolarHBondContact O-N 2.92Å; V572-S575 PolarHBondContact O-OG 2.87Å; V572-E579 HydrophobicContact CB-CB 4.13Å; V572-E579 HydrophobicContact CG2-CB 3.99Å; V572-E579 PolarHBondContact N-O 3.16Å; V572-E581 HydrophobicContact CG2-CB 4.45Å; V572-E581 HydrophobicContact CG2-CG 3.71Å
573	P	84	Confident	86.7	Confident	108 Å²	108	75.9 Å²	75.9	70%	0.701	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	139.6	178.2	-26.5	35.7	0	0	0	112.4	R571 S575	R571-P573 WeakPolarHBondContact O-CD 3.34Å; P573-S575 PolarHBondContact O-N 3.32Å
574	N	73.1	Confident	87	Confident	163 Å²	163	70.4 Å²	70.4	87%	0.872	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	4.5	178.7	-54.9	-37.4	0	0	0	117.1	R576	N574-R576 PolarHBondContact O-N 3.37Å
575	S	78.3	Confident	87	Confident	10 Å²	10	69.6 Å²	69.6	7%	0.07	33%	0.333	C	S	.	.			trans	-58.6	131.4	174.9	55.5	0	0	0	0	113.6	R571 V572 P573 P577 E579	R571-S575 PolarHBondContact NH2-O 2.91Å; R571-S575 VanDerWaalsContact NH2-O 3.07Å; V572-S575 WeakPolarHBondContact O-CB 3.41Å; V572-S575 PolarHBondContact O-N 2.92Å; V572-S575 PolarHBondContact O-OG 2.87Å; P573-S575 PolarHBondContact O-N 3.32Å; S575-P577 CarbonylContact C-O 3.6Å; S575-P577 WeakPolarHBondContact CB-O 3.48Å; S575-E579 PolarHBondContact OG-N 3.04Å
576	R	72.7	Confident	87	Confident	237 Å²	237	69.1 Å²	69.1	89%	0.894	33%	0.334	S	S	*	.	S	Bend	trans	-141.8	108	171.2	-65	-173.3	-178.4	-160.9	0.1	108.8	N574	N574-R576 PolarHBondContact O-N 3.37Å
577	P	78.6	Confident	86.9	Confident	99 Å²	99	68.4 Å²	68.4	64%	0.643	33%	0.331	S	S	*	.	S	Bend	cis	-62	166.6	0.8	28.8	-36.8	0	0	0	113.5	S575 E579	S575-P577 CarbonylContact C-O 3.6Å; S575-P577 WeakPolarHBondContact CB-O 3.48Å; P577-E579 PolarHBondContact O-N 3.48Å; P577-E579 VanDerWaalsContact O-N 3.09Å
578	P	81.4	Confident	86.7	Confident	73 Å²	73	68.4 Å²	68.4	47%	0.474	33%	0.331	S	S	.	.			trans	-62.7	110.8	178.7	-22.3	34.9	0	0	0	112	Y580	P578-Y580 HydrophobicContact CB-CE2 4.13Å
579	E	86.5	Confident	86.4	Confident	106 Å²	106	69.2 Å²	69.2	50%	0.495	33%	0.332	S	S	.	.			trans	-100.2	152.8	176.6	-71.8	174.5	-164.9	0	0	111.2	R571 V572 S575 P577	R571-E579 CarbonylContact C-O 3.53Å; R571-E579 WeakPolarHBondContact CA-O 3.5Å; R571-E579 VanDerWaalsContact CG-O 3.29Å; R571-E579 WeakPolarHBondContact CG-O 3.24Å; V572-E579 HydrophobicContact CB-CB 4.13Å; V572-E579 HydrophobicContact CG2-CB 3.99Å; V572-E579 PolarHBondContact N-O 3.16Å; S575-E579 PolarHBondContact OG-N 3.04Å; P577-E579 PolarHBondContact O-N 3.48Å; P577-E579 VanDerWaalsContact O-N 3.09Å
580	Y	89.3	Confident	85.8	Confident	76 Å²	76	69.4 Å²	69.4	30%	0.298	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	141.3	-178.5	-62.5	-100.1	0	0	0	110.9	S528 E529 Y569 K570 R571 P578	S528-Y580 WeakPolarHBondContact CA-O 3.42Å; E529-Y580 PolarHBondContact N-O 3.45Å; Y569-Y580 HydrophobicContact CD1-CD1 4.18Å; Y569-Y580 AromaticContact CE1-CD1 3.45Å; Y569-Y580 HydrophobicContact CE1-CD1 3.45Å; Y569-Y580 VanDerWaalsContact CE1-CD1 3.45Å; Y569-Y580 AromaticContact CE1-CE1 3.85Å; Y569-Y580 HydrophobicContact CE1-CE1 3.85Å; Y569-Y580 HydrophobicContact CE1-CG 4.06Å; Y569-Y580 HydrophobicContact CE2-CD1 4.04Å; Y569-Y580 AromaticContact CE2-CG 3.91Å; Y569-Y580 HydrophobicContact CE2-CG 3.91Å; Y569-Y580 AromaticContact CZ-CD1 3.39Å; Y569-Y580 AromaticContact CZ-CG 3.47Å; Y569-Y580 VanDerWaalsContact CZ-CG 3.47Å; Y569-Y580 WeakPolarHBondContact OH-CD1 3.48Å; K570-Y580 CarbonylContact O-C 3.56Å; K570-Y580 VanDerWaalsContact O-CA 3.31Å; K570-Y580 WeakPolarHBondContact O-CA 3.4Å; R571-Y580 HydrophobicContact CB-CD1 3.85Å; R571-Y580 HydrophobicContact CB-CE1 3.73Å; R571-Y580 HydrophobicContact CG-CD1 4.29Å; R571-Y580 HydrophobicContact CG-CE1 4.05Å; P578-Y580 HydrophobicContact CB-CE2 4.13Å
581	E	92.6	Very high	85.5	Confident	39 Å²	39	66.5 Å²	66.5	18%	0.182	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	143.4	174.9	-76.1	-178.8	134.9	0	0	110.6	K526 A527 K570 V572 F583	K526-E581 IonicContact NZ-OE1 3.96Å; K526-E581 PolarHBondContact NZ-OE1 3.17Å; A527-E581 CarbonylContact O-C 3.55Å; A527-E581 WeakPolarHBondContact O-CA 3.45Å; K570-E581 PolarHBondContact N-O 2.65Å; K570-E581 PolarHBondContact O-N 3Å; V572-E581 HydrophobicContact CG2-CB 4.45Å; V572-E581 HydrophobicContact CG2-CG 3.71Å; E581-F583 HydrophobicContact CB-CD2 4.48Å; E581-F583 HydrophobicContact CB-CE2 3.58Å; E581-F583 HydrophobicContact CB-CZ 3.89Å
582	F	94.3	Very high	85.2	Confident	2 Å²	2	60.7 Å²	60.7	1%	0.009	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	137.9	171.5	-72.7	-92	0	0	0	110.7	I520 K526 A527 E529 I532 I557 T558 L567 E568 Y569	I520-F582 HydrophobicContact CD1-CB 3.81Å; I520-F582 HydrophobicContact CG1-CB 4.29Å; K526-F582 WeakPolarHBondContact CA-O 3.45Å; A527-F582 PolarHBondContact N-O 3.33Å; A527-F582 PolarHBondContact O-N 3.27Å; E529-F582 HydrophobicContact CB-CD2 4.42Å; E529-F582 HydrophobicContact CB-CE2 3.94Å; E529-F582 HydrophobicContact CG-CE2 4.25Å; I532-F582 HydrophobicContact CD1-CB 3.62Å; I532-F582 HydrophobicContact CD1-CD2 3.55Å; I532-F582 HydrophobicContact CD1-CE2 4.34Å; I532-F582 HydrophobicContact CD1-CG 3.72Å; I557-F582 HydrophobicContact CG2-CE1 3.63Å; I557-F582 HydrophobicContact CG2-CZ 3.7Å; T558-F582 HydrophobicContact CG2-CZ 4.31Å; L567-F582 HydrophobicContact CB-CD1 4.37Å; L567-F582 HydrophobicContact CD1-CD1 4.09Å; L567-F582 HydrophobicContact CD1-CE1 4.29Å; E568-F582 WeakPolarHBondContact O-CA 3.5Å; Y569-F582 AromaticContact CD2-CD1 3.84Å; Y569-F582 HydrophobicContact CD2-CD1 3.84Å; Y569-F582 AromaticContact CD2-CD2 3.94Å; Y569-F582 HydrophobicContact CD2-CD2 3.94Å; Y569-F582 AromaticContact CD2-CE1 3.42Å; Y569-F582 HydrophobicContact CD2-CE1 3.42Å; Y569-F582 VanDerWaalsContact CD2-CE1 3.42Å; Y569-F582 AromaticContact CD2-CE2 3.55Å; Y569-F582 HydrophobicContact CD2-CE2 3.55Å; Y569-F582 HydrophobicContact CD2-CG 4.09Å; Y569-F582 AromaticContact CD2-CZ 3.28Å; Y569-F582 HydrophobicContact CD2-CZ 3.28Å; Y569-F582 HydrophobicContact CE2-CD2 4.22Å; Y569-F582 HydrophobicContact CE2-CE1 4.11Å; Y569-F582 AromaticContact CE2-CE2 3.52Å; Y569-F582 HydrophobicContact CE2-CE2 3.52Å; Y569-F582 AromaticContact CE2-CZ 3.46Å; Y569-F582 HydrophobicContact CE2-CZ 3.46Å; Y569-F582 VanDerWaalsContact CE2-CZ 3.46Å; Y569-F582 HydrophobicContact CG-CE1 4.11Å; Y569-F582 HydrophobicContact CG-CZ 4.28Å
583	F	93.6	Very high	85.2	Confident	49 Å²	49	59.8 Å²	59.8	22%	0.215	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	162.9	175.2	-55.8	-95.9	0	0	0	109.2	K526 E568 K570 E581 G585	K526-F583 HydrophobicContact CB-CD1 3.82Å; K526-F583 HydrophobicContact CB-CE1 3.47Å; K526-F583 VanDerWaalsContact CB-CE1 3.47Å; K526-F583 HydrophobicContact CB-CZ 4.13Å; K526-F583 HydrophobicContact CD-CE1 4.36Å; E568-F583 HydrophobicContact CB-CB 4.38Å; E568-F583 PolarHBondContact N-O 3.06Å; E568-F583 PolarHBondContact O-N 3.41Å; K570-F583 HydrophobicContact CB-CE2 4.09Å; K570-F583 HydrophobicContact CD-CD2 4.16Å; K570-F583 HydrophobicContact CD-CE2 4.05Å; E581-F583 HydrophobicContact CB-CD2 4.48Å; E581-F583 HydrophobicContact CB-CE2 3.58Å; E581-F583 HydrophobicContact CB-CZ 3.89Å; F583-G585 PolarHBondContact O-N 2.97Å
584	W	93.7	Very high	85.4	Confident	6 Å²	6	55.3 Å²	55.3	2%	0.023	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	128.9	167.4	-78.2	35	0	0	0	109.8	L517 F521 Y589 K594 V597	L517-W584 HydrophobicContact CB-CZ2 4.21Å; L517-W584 HydrophobicContact CD2-CD2 4.01Å; L517-W584 HydrophobicContact CD2-CG 3.84Å; L517-W584 PolarHBondContact O-NE1 3.48Å; F521-W584 HydrophobicContact CB-CZ2 4.14Å; F521-W584 HydrophobicContact CG-CZ2 4.49Å; W584-Y589 HydrophobicContact CB-CD2 4.3Å; W584-Y589 HydrophobicContact CB-CE1 4.41Å; W584-Y589 HydrophobicContact CB-CE2 3.54Å; W584-Y589 AromaticContact CE3-CD1 3.91Å; W584-Y589 HydrophobicContact CE3-CD1 3.91Å; W584-Y589 AromaticContact CE3-CE1 3.85Å; W584-Y589 HydrophobicContact CE3-CE1 3.85Å; W584-Y589 HydrophobicContact CE3-CG 4.29Å; W584-Y589 HydrophobicContact CZ3-CD1 4.4Å; W584-Y589 WeakPolarHBondContact O-CE2 3.45Å; W584-K594 HydrophobicContact CH2-CB 4.48Å; W584-K594 HydrophobicContact CH2-CG 3.85Å; W584-K594 HydrophobicContact CZ2-CG 4.33Å; W584-K594 HydrophobicContact CZ3-CG 4.11Å; W584-V597 HydrophobicContact CH2-CB 3.97Å; W584-V597 HydrophobicContact CH2-CG2 3.55Å; W584-V597 HydrophobicContact CZ2-CB 3.92Å; W584-V597 HydrophobicContact CZ2-CG1 3.98Å; W584-V597 HydrophobicContact CZ2-CG2 3.74Å
585	G	89.9	Confident	86.1	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.01	23%	0.228	C	C	.	.			trans	-84.8	163.3	172.4	0	0	0	0	0	112.6	K565 Y566 F583 R587 S588 Y589	K565-G585 CarbonylContact O-C 3.13Å; K565-G585 WeakPolarHBondContact O-CA 3.34Å; Y566-G585 PolarHBondContact O-N 3.46Å; F583-G585 PolarHBondContact O-N 2.97Å; G585-R587 PolarHBondContact O-N 3.17Å; G585-R587 VanDerWaalsContact O-N 3.13Å; G585-S588 WeakPolarHBondContact O-CB 3.48Å; G585-S588 PolarHBondContact O-N 3.2Å; G585-Y589 WeakPolarHBondContact O-CD2 3.46Å
586	L	87.6	Confident	86.5	Confident	71 Å²	71	51.1 Å²	51.1	37%	0.372	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-29.7	-172.6	-67.7	87.7	0	0	0	114.2	I481 D482 K565	I481-L586 HydrophobicContact CB-CB 4.49Å; I481-L586 HydrophobicContact CD1-CB 4.21Å; I481-L586 WeakPolarHBondContact O-CD2 3.27Å; D482-L586 HydrophobicContact CB-CD2 4.28Å; K565-L586 PolarHBondContact O-N 3.31Å
587	R	87	Confident	87.3	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-36.5	177.2	-167.9	171.2	-175.5	130.1	14.7	111.6	D436 K439 I489 L490 Q564 K565 Y566 G585 Y589 H590 E591	D436-R587 IonicContact OD1-CZ 2.7Å; D436-R587 IonicContact OD1-NH1 2.65Å; D436-R587 PolarHBondContact OD1-NH1 3.25Å; D436-R587 IonicContact OD1-NH2 2.88Å; D436-R587 PolarHBondContact OD1-NH2 3.49Å; K439-R587 PolarHBondContact O-NH1 2.81Å; I489-R587 HydrophobicContact CD1-CG 3.99Å; I489-R587 HydrophobicContact CG2-CG 4.36Å; L490-R587 PolarHBondContact O-NH2 2.98Å; Q564-R587 WeakPolarHBondContact O-CB 3.37Å; Q564-R587 WeakPolarHBondContact O-CD 3.42Å; K565-R587 HydrophobicContact CB-CB 4.28Å; K565-R587 WeakPolarHBondContact O-CB 3.3Å; K565-R587 PolarHBondContact O-N 3.42Å; Y566-R587 HydrophobicContact CD1-CB 4.03Å; Y566-R587 HydrophobicContact CD1-CG 3.96Å; Y566-R587 HydrophobicContact CE1-CB 4.27Å; Y566-R587 HydrophobicContact CE1-CG 3.66Å; Y566-R587 PolarHBondContact OH-NE 2.92Å; G585-R587 PolarHBondContact O-N 3.17Å; G585-R587 VanDerWaalsContact O-N 3.13Å; R587-Y589 VanDerWaalsContact C-N 3.33Å; R587-Y589 PolarHBondContact O-N 3.33Å; R587-H590 PolarHBondContact O-N 2.99Å; R587-H590 VanDerWaalsContact O-N 3.1Å; R587-E591 HydrophobicContact CG-CG 4.45Å; R587-E591 IonicContact CZ-OE1 3.17Å; R587-E591 IonicContact NE-OE1 2.9Å; R587-E591 PolarHBondContact NE-OE1 2.98Å; R587-E591 IonicContact NE-OE2 3.53Å; R587-E591 IonicContact NH2-OE1 3.55Å; R587-E591 PolarHBondContact NH2-OE1 3Å; R587-E591 PolarHBondContact O-N 3.43Å; R587-E591 VanDerWaalsContact O-N 3.08Å
588	S	88.4	Confident	87.7	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.6	-36.1	179.8	-66.6	0	0	0	0	112.8	Y566 G585 H590 T592	Y566-S588 VanDerWaalsContact CA-OG 3.25Å; Y566-S588 WeakPolarHBondContact CA-OG 3.33Å; Y566-S588 PolarHBondContact O-OG 3.45Å; G585-S588 WeakPolarHBondContact O-CB 3.48Å; G585-S588 PolarHBondContact O-N 3.2Å; S588-H590 PolarHBondContact O-N 3.44Å; S588-T592 CarbonylContact O-C 3.56Å; S588-T592 WeakPolarHBondContact O-CA 3.39Å; S588-T592 WeakPolarHBondContact O-CB 3.47Å; S588-T592 PolarHBondContact O-N 3.42Å; S588-T592 PolarHBondContact O-OG1 3.48Å
589	Y	86	Confident	88	Confident	85 Å²	85	36.4 Å²	36.4	33%	0.333	17%	0.165	S	C	.	.	H	α-helix	trans	-70.4	-6.2	176	-67.7	-78.4	0	0	0	114.6	W584 G585 R587 T592 M622	W584-Y589 HydrophobicContact CB-CD2 4.3Å; W584-Y589 HydrophobicContact CB-CE1 4.41Å; W584-Y589 HydrophobicContact CB-CE2 3.54Å; W584-Y589 AromaticContact CE3-CD1 3.91Å; W584-Y589 HydrophobicContact CE3-CD1 3.91Å; W584-Y589 AromaticContact CE3-CE1 3.85Å; W584-Y589 HydrophobicContact CE3-CE1 3.85Å; W584-Y589 HydrophobicContact CE3-CG 4.29Å; W584-Y589 HydrophobicContact CZ3-CD1 4.4Å; W584-Y589 WeakPolarHBondContact O-CE2 3.45Å; G585-Y589 WeakPolarHBondContact O-CD2 3.46Å; R587-Y589 VanDerWaalsContact C-N 3.33Å; R587-Y589 PolarHBondContact O-N 3.33Å; Y589-T592 CarbonylContact C-O 3.6Å; Y589-M622 HydrophobicContact CD1-CE 3.86Å; Y589-M622 HydrophobicContact CD1-SD 3.74Å; Y589-M622 HydrophobicContact CE1-CE 4.36Å; Y589-M622 HydrophobicContact CE1-SD 3.8Å
590	H	81.1	Confident	87.9	Confident	66 Å²	66	32.7 Å²	32.7	31%	0.306	15%	0.147	S	C	.	.	H	α-helix	trans	-117.9	-29.6	-177.5	-72.5	-30.2	0	0	0	113.9	I489 I491 R587 S588	I489-H590 HydrophobicContact CD1-CB 3.91Å; I491-H590 HydrophobicContact CD1-CB 3.89Å; R587-H590 PolarHBondContact O-N 2.99Å; R587-H590 VanDerWaalsContact O-N 3.1Å; S588-H590 PolarHBondContact O-N 3.44Å
591	E	83.3	Confident	87.7	Confident	39 Å²	39	29.3 Å²	29.3	18%	0.182	14%	0.135	C	C	.	.	H	α-helix	trans	-92.1	-29.6	171.2	-66.8	-174	-176.4	0	0	113	Y566 R587	Y566-E591 WeakPolarHBondContact CE1-OE2 2.99Å; Y566-E591 VanDerWaalsContact CZ-OE2 3.29Å; Y566-E591 PolarHBondContact OH-OE2 2.9Å; R587-E591 HydrophobicContact CG-CG 4.45Å; R587-E591 IonicContact CZ-OE1 3.17Å; R587-E591 IonicContact NE-OE1 2.9Å; R587-E591 PolarHBondContact NE-OE1 2.98Å; R587-E591 IonicContact NE-OE2 3.53Å; R587-E591 IonicContact NH2-OE1 3.55Å; R587-E591 PolarHBondContact NH2-OE1 3Å; R587-E591 PolarHBondContact O-N 3.43Å; R587-E591 VanDerWaalsContact O-N 3.08Å
592	T	81.7	Confident	87.4	Confident	11 Å²	11	27.9 Å²	27.9	7%	0.067	13%	0.129	C	C	.	.			trans	-119.2	168.2	177.2	79.5	0	0	0	0	110.2	M514 S588 Y589	M514-T592 HydrophobicContact SD-CG2 4.03Å; S588-T592 CarbonylContact O-C 3.56Å; S588-T592 WeakPolarHBondContact O-CA 3.39Å; S588-T592 WeakPolarHBondContact O-CB 3.47Å; S588-T592 PolarHBondContact O-N 3.42Å; S588-T592 PolarHBondContact O-OG1 3.48Å; Y589-T592 CarbonylContact C-O 3.6Å
593	S	86.1	Confident	86.9	Confident	14 Å²	14	34.6 Å²	34.6	10%	0.098	16%	0.158	C	C	.	.			trans	-132.7	159.4	168.3	94.6	0	0	0	0	109.8	M595 K596 V597 D623	S593-M595 PolarHBondContact O-N 2.93Å; S593-M595 PolarHBondContact OG-N 3.27Å; S593-K596 PolarHBondContact O-N 3.47Å; S593-K596 PolarHBondContact OG-N 2.91Å; S593-V597 PolarHBondContact O-N 3.29Å; S593-D623 WeakPolarHBondContact CB-OD1 3.32Å; S593-D623 PolarHBondContact OG-OD1 2.9Å
594	K	88.5	Confident	86.3	Confident	14 Å²	14	35.4 Å²	35.4	6%	0.061	17%	0.167	C	C	.	.	H	α-helix	trans	-56.4	-34.8	176.5	-76.2	175.5	-178.6	178.3	0	111.4	F521 N525 W584 L598 E618 A619 M622	F521-K594 HydrophobicContact CD2-CD 4.16Å; F521-K594 HydrophobicContact CD2-CG 4.1Å; F521-K594 HydrophobicContact CE1-CB 4.24Å; F521-K594 HydrophobicContact CE2-CB 4.15Å; F521-K594 HydrophobicContact CE2-CD 3.62Å; F521-K594 HydrophobicContact CE2-CG 3.82Å; F521-K594 HydrophobicContact CZ-CB 3.88Å; F521-K594 HydrophobicContact CZ-CD 4.14Å; F521-K594 HydrophobicContact CZ-CG 4.09Å; N525-K594 WeakPolarHBondContact OD1-CE 3.43Å; N525-K594 PolarHBondContact OD1-NZ 3.05Å; W584-K594 HydrophobicContact CH2-CB 4.48Å; W584-K594 HydrophobicContact CH2-CG 3.85Å; W584-K594 HydrophobicContact CZ2-CG 4.33Å; W584-K594 HydrophobicContact CZ3-CG 4.11Å; K594-L598 WeakPolarHBondContact O-CB 3.48Å; K594-L598 PolarHBondContact O-N 2.71Å; K594-E618 HydrophobicContact CD-CG 4.5Å; K594-E618 IonicContact NZ-OE1 2.73Å; K594-E618 PolarHBondContact NZ-OE1 2.95Å; K594-A619 HydrophobicContact CB-CB 3.73Å; K594-M622 HydrophobicContact CB-CE 4.15Å; K594-M622 HydrophobicContact CD-CB 4.42Å; K594-M622 HydrophobicContact CD-CE 3.94Å; K594-M622 HydrophobicContact CD-SD 3.56Å; K594-M622 VanDerWaalsContact CD-SD 3.56Å; K594-M622 VanDerWaalsContact CE-SD 3.53Å; K594-M622 HydrophobicContact CG-CE 3.74Å; K594-M622 HydrophobicContact CG-SD 4.06Å
595	M	88.2	Confident	85.3	Confident	13 Å²	13	37.7 Å²	37.7	6%	0.064	18%	0.178	C	C	.	.	H	α-helix	trans	-68.7	-39.1	174.6	-173.9	54.6	64.9	0	0	112.7	S593 K599 Y616 A619 V620 D623	S593-M595 PolarHBondContact O-N 2.93Å; S593-M595 PolarHBondContact OG-N 3.27Å; M595-K599 HydrophobicContact CG-CD 4.27Å; M595-K599 WeakPolarHBondContact O-CB 3.45Å; M595-K599 VanDerWaalsContact O-CG 3.27Å; M595-K599 WeakPolarHBondContact O-CG 3.34Å; M595-K599 PolarHBondContact O-N 3.01Å; M595-K599 HydrophobicContact SD-CD 4.35Å; M595-K599 HydrophobicContact SD-CG 4.35Å; M595-Y616 HydrophobicContact CE-CD2 3.94Å; M595-Y616 HydrophobicContact CE-CE2 3.68Å; M595-Y616 HydrophobicContact SD-CD2 4.49Å; M595-Y616 HydrophobicContact SD-CE2 4.16Å; M595-A619 HydrophobicContact CB-CB 4.26Å; M595-A619 HydrophobicContact CE-CB 3.83Å; M595-V620 HydrophobicContact CE-CG2 3.52Å; M595-D623 WeakPolarHBondContact CB-OD2 3.46Å
596	K	86.7	Confident	84.8	Confident	73 Å²	73	45.1 Å²	45.1	32%	0.317	21%	0.21	S	C	.	.	H	α-helix	trans	-65.6	-42.5	175.8	-67.2	174.9	179.5	175	0	111.4	E495 M501 S593 F600	E495-K596 WeakPolarHBondContact OE1-CE 3.43Å; E495-K596 IonicContact OE1-NZ 3.5Å; E495-K596 PolarHBondContact OE1-NZ 2.96Å; M501-K596 WeakPolarHBondContact CE-O 3.45Å; S593-K596 PolarHBondContact O-N 3.47Å; S593-K596 PolarHBondContact OG-N 2.91Å; K596-F600 PolarHBondContact O-N 3.07Å; K596-F600 VanDerWaalsContact O-N 3.13Å
597	V	89	Confident	84.4	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-71	-39.9	176.7	177.9	0	0	0	0	111.7	M514 L517 S518 W584 S593 K599 F600 A601	M514-V597 HydrophobicContact CE-CG2 3.92Å; M514-V597 HydrophobicContact SD-CG2 4.21Å; L517-V597 HydrophobicContact CB-CG1 4.36Å; L517-V597 HydrophobicContact CB-CG2 4.45Å; S518-V597 WeakPolarHBondContact OG-CG1 3.26Å; W584-V597 HydrophobicContact CH2-CB 3.97Å; W584-V597 HydrophobicContact CH2-CG2 3.55Å; W584-V597 HydrophobicContact CZ2-CB 3.92Å; W584-V597 HydrophobicContact CZ2-CG1 3.98Å; W584-V597 HydrophobicContact CZ2-CG2 3.74Å; S593-V597 PolarHBondContact O-N 3.29Å; V597-K599 PolarHBondContact O-N 3.47Å; V597-F600 WeakPolarHBondContact O-CB 3.44Å; V597-F600 PolarHBondContact O-N 3.35Å; V597-A601 PolarHBondContact O-N 3.28Å
598	L	87.8	Confident	83.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-57.9	-50.5	173.7	-175.9	57.4	0	0	0	111.1	F521 M522 K594 F600 A601 C602 P609 W612 Q615 Y616 A619	F521-L598 HydrophobicContact CE1-CB 4.11Å; F521-L598 HydrophobicContact CE1-CD1 4.29Å; M522-L598 HydrophobicContact CE-CD1 3.78Å; K594-L598 WeakPolarHBondContact O-CB 3.48Å; K594-L598 PolarHBondContact O-N 2.71Å; L598-F600 VanDerWaalsContact C-N 3.29Å; L598-F600 PolarHBondContact O-N 2.97Å; L598-A601 PolarHBondContact O-N 3.24Å; L598-A601 VanDerWaalsContact O-N 3.12Å; L598-C602 PolarHBondContact O-N 3.01Å; L598-C602 PolarHBondContact O-SG 3.42Å; L598-P609 HydrophobicContact CD2-CB 4.45Å; L598-W612 HydrophobicContact CD1-CB 4.3Å; L598-W612 HydrophobicContact CD1-CD2 4.4Å; L598-W612 HydrophobicContact CD1-CE3 3.67Å; L598-W612 HydrophobicContact CD1-CZ3 4.36Å; L598-Q615 HydrophobicContact CD1-CB 4.34Å; L598-Y616 HydrophobicContact CD2-CD2 3.93Å; L598-Y616 HydrophobicContact CD2-CG 4.46Å; L598-A619 HydrophobicContact CD2-CB 4.24Å
599	K	86.1	Confident	83.2	Confident	100 Å²	100	51.6 Å²	51.6	44%	0.435	24%	0.243	S	C	.	.	H	α-helix	trans	-59.8	-36.2	176.7	-75	170.7	178.8	174.8	0	112.9	M501 M595 V597 C602 K603	M501-K599 HydrophobicContact CE-CB 3.51Å; M501-K599 HydrophobicContact CE-CD 4.2Å; M501-K599 HydrophobicContact SD-CB 3.93Å; M595-K599 HydrophobicContact CG-CD 4.27Å; M595-K599 WeakPolarHBondContact O-CB 3.45Å; M595-K599 VanDerWaalsContact O-CG 3.27Å; M595-K599 WeakPolarHBondContact O-CG 3.34Å; M595-K599 PolarHBondContact O-N 3.01Å; M595-K599 HydrophobicContact SD-CD 4.35Å; M595-K599 HydrophobicContact SD-CG 4.35Å; V597-K599 PolarHBondContact O-N 3.47Å; K599-C602 WeakPolarHBondContact O-CB 3.41Å; K599-C602 PolarHBondContact O-N 3.44Å; K599-K603 WeakPolarHBondContact O-CB 3.39Å; K599-K603 PolarHBondContact O-N 2.84Å
600	F	85.2	Confident	82.6	Confident	28 Å²	28	54.7 Å²	54.7	12%	0.123	26%	0.258	C	S	.	.	H	α-helix	trans	-63.6	-48.1	172	175.1	-92.8	0	0	0	111.5	M514 V515 S518 K596 V597 L598 C602 K603 V604	M514-F600 HydrophobicContact CB-CD1 4.35Å; M514-F600 HydrophobicContact CB-CE1 4.1Å; M514-F600 HydrophobicContact CB-CE2 4.45Å; M514-F600 HydrophobicContact CB-CZ 4.15Å; M514-F600 HydrophobicContact CE-CB 3.87Å; M514-F600 HydrophobicContact CE-CD1 4.42Å; M514-F600 HydrophobicContact CE-CD2 4.37Å; M514-F600 HydrophobicContact CE-CG 3.98Å; V515-F600 HydrophobicContact CG2-CE1 3.96Å; V515-F600 HydrophobicContact CG2-CZ 4.04Å; S518-F600 WeakPolarHBondContact OG-CD1 3.32Å; K596-F600 PolarHBondContact O-N 3.07Å; K596-F600 VanDerWaalsContact O-N 3.13Å; V597-F600 WeakPolarHBondContact O-CB 3.44Å; V597-F600 PolarHBondContact O-N 3.35Å; L598-F600 VanDerWaalsContact C-N 3.29Å; L598-F600 PolarHBondContact O-N 2.97Å; F600-C602 VanDerWaalsContact C-N 3.32Å; F600-C602 PolarHBondContact O-N 3.36Å; F600-K603 WeakPolarHBondContact O-CB 3.32Å; F600-K603 PolarHBondContact O-N 2.92Å; F600-V604 HydrophobicContact CD1-CG2 4.4Å; F600-V604 HydrophobicContact CE1-CG2 4.02Å; F600-V604 HydrophobicContact CE2-CG2 4.49Å; F600-V604 HydrophobicContact CZ-CG2 4.07Å; F600-V604 WeakPolarHBondContact O-CG2 3.46Å; F600-V604 PolarHBondContact O-N 3.23Å
601	A	85.4	Confident	82.5	Confident	5 Å²	5	56.5 Å²	56.5	4%	0.041	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-36.7	176.3	0	0	0	0	0	112.9	M522 V597 L598 V604 Q605 W612	M522-A601 HydrophobicContact CE-CB 3.46Å; M522-A601 VanDerWaalsContact CE-CB 3.46Å; V597-A601 PolarHBondContact O-N 3.28Å; L598-A601 PolarHBondContact O-N 3.24Å; L598-A601 VanDerWaalsContact O-N 3.12Å; A601-V604 PolarHBondContact O-N 2.92Å; A601-Q605 WeakPolarHBondContact O-CG 3.33Å; A601-Q605 PolarHBondContact O-N 3.22Å; A601-W612 HydrophobicContact CB-CZ3 4.33Å
602	C	86.1	Confident	82.3	Confident	9 Å²	9	56.6 Å²	56.6	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-59	-48.7	172.3	-63.6	0	0	0	0	111.1	L598 K599 F600 V604 Q605 K606 K607 P609 W612	L598-C602 PolarHBondContact O-N 3.01Å; L598-C602 PolarHBondContact O-SG 3.42Å; K599-C602 WeakPolarHBondContact O-CB 3.41Å; K599-C602 PolarHBondContact O-N 3.44Å; F600-C602 VanDerWaalsContact C-N 3.32Å; F600-C602 PolarHBondContact O-N 3.36Å; C602-V604 VanDerWaalsContact C-N 3.32Å; C602-V604 PolarHBondContact O-N 3.08Å; C602-Q605 PolarHBondContact O-N 3.48Å; C602-K606 WeakPolarHBondContact O-CA 3.11Å; C602-K606 PolarHBondContact O-N 3.01Å; C602-K607 VanDerWaalsContact CB-O 3.25Å; C602-K607 WeakPolarHBondContact CB-O 3.25Å; C602-K607 PolarHBondContact O-N 3.44Å; C602-P609 HydrophobicContact CB-CG 4.28Å; C602-P609 WeakPolarHBondContact SG-CA 3.45Å; C602-P609 VanDerWaalsContact SG-CG 3.56Å; C602-W612 HydrophobicContact CB-CZ3 4.3Å; C602-W612 VanDerWaalsContact SG-CZ3 3.52Å
603	K	84	Confident	82.3	Confident	142 Å²	142	58.8 Å²	58.8	62%	0.617	29%	0.288	S	S	*	.	H	α-helix	trans	-61.1	-37.3	178	-172	179.9	-179	-177.2	0	112.5	M501 K599 F600	M501-K603 PolarHBondContact O-NZ 2.91Å; M501-K603 VanDerWaalsContact O-NZ 3.14Å; K599-K603 WeakPolarHBondContact O-CB 3.39Å; K599-K603 PolarHBondContact O-N 2.84Å; F600-K603 WeakPolarHBondContact O-CB 3.32Å; F600-K603 PolarHBondContact O-N 2.92Å
604	V	79.9	Confident	82.2	Confident	67 Å²	67	60.7 Å²	60.7	41%	0.406	30%	0.304	S	S	.	.	H	α-helix	trans	-71.8	-40.8	176.5	173.4	0	0	0	0	112.1	F600 A601 C602	F600-V604 HydrophobicContact CD1-CG2 4.4Å; F600-V604 HydrophobicContact CE1-CG2 4.02Å; F600-V604 HydrophobicContact CE2-CG2 4.49Å; F600-V604 HydrophobicContact CZ-CG2 4.07Å; F600-V604 WeakPolarHBondContact O-CG2 3.46Å; F600-V604 PolarHBondContact O-N 3.23Å; A601-V604 PolarHBondContact O-N 2.92Å; C602-V604 VanDerWaalsContact C-N 3.32Å; C602-V604 PolarHBondContact O-N 3.08Å
605	Q	73.8	Confident	82.1	Confident	53 Å²	53	62 Å²	62	25%	0.248	31%	0.311	C	S	.	.	H	α-helix	trans	-92.3	-3.5	-176.5	-60.7	-164.4	30.3	0	0	115.1	L355 A601 C602 K607 W612	L355-Q605 HydrophobicContact CD1-CB 4.18Å; L355-Q605 HydrophobicContact CD1-CG 4Å; L355-Q605 HydrophobicContact CD2-CG 4.38Å; A601-Q605 WeakPolarHBondContact O-CG 3.33Å; A601-Q605 PolarHBondContact O-N 3.22Å; C602-Q605 PolarHBondContact O-N 3.48Å; Q605-K607 HydrophobicContact CB-CD 4.3Å; Q605-K607 HydrophobicContact CB-CG 4.36Å; Q605-K607 PolarHBondContact O-N 3.23Å; Q605-W612 HydrophobicContact CB-CH2 4.05Å; Q605-W612 HydrophobicContact CG-CH2 4.08Å
606	K	79.9	Confident	82.1	Confident	158 Å²	158	65.5 Å²	65.5	69%	0.687	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	34.8	-172.8	-51.1	174.5	-171.6	166.9	0	113.5	C602	C602-K606 WeakPolarHBondContact O-CA 3.11Å; C602-K606 PolarHBondContact O-N 3.01Å
607	K	78	Confident	82	Confident	82 Å²	82	70.2 Å²	70.2	36%	0.357	34%	0.34	S	S	.	.			trans	-112.3	156.3	178.5	-72.4	176.1	-176.6	169.5	0	110.8	C602 Q605 W612	C602-K607 VanDerWaalsContact CB-O 3.25Å; C602-K607 WeakPolarHBondContact CB-O 3.25Å; C602-K607 PolarHBondContact O-N 3.44Å; Q605-K607 HydrophobicContact CB-CD 4.3Å; Q605-K607 HydrophobicContact CB-CG 4.36Å; Q605-K607 PolarHBondContact O-N 3.23Å; K607-W612 HydrophobicContact CB-CH2 4.3Å; K607-W612 HydrophobicContact CD-CH2 4.45Å; K607-W612 HydrophobicContact CD-CZ2 4.07Å
608	D	75.2	Confident	82	Confident	98 Å²	98	73.3 Å²	73.3	52%	0.524	35%	0.354	S	S	.	.			trans	-82.4	143.6	-178.9	-123.5	-38.9	0	0	0	110.2	K610 D611	D608-K610 PolarHBondContact O-N 3.1Å; D608-D611 PolarHBondContact N-OD2 3.44Å; D608-D611 WeakPolarHBondContact O-CB 3.43Å; D608-D611 PolarHBondContact O-N 3.34Å
609	P	75.4	Confident	82	Confident	27 Å²	27	73.3 Å²	73.3	18%	0.175	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-18	177.6	-22.6	31.3	0	0	0	114.4	L598 C602 Y616	L598-P609 HydrophobicContact CD2-CB 4.45Å; C602-P609 HydrophobicContact CB-CG 4.28Å; C602-P609 WeakPolarHBondContact SG-CA 3.45Å; C602-P609 VanDerWaalsContact SG-CG 3.56Å; P609-Y616 HydrophobicContact CB-CD2 3.81Å; P609-Y616 HydrophobicContact CB-CE2 4.05Å; P609-Y616 WeakPolarHBondContact O-CB 3.44Å; P609-Y616 WeakPolarHBondContact O-CD2 3.5Å
610	K	73.8	Confident	82.1	Confident	150 Å²	150	70.8 Å²	70.8	65%	0.652	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-24.5	178	-64.3	173.4	-176.3	167.4	0	113.2	D608 W612 A613	D608-K610 PolarHBondContact O-N 3.1Å; K610-W612 PolarHBondContact O-N 2.91Å; K610-A613 PolarHBondContact O-N 3.02Å
611	D	78	Confident	82.2	Confident	104 Å²	104	75 Å²	75	56%	0.556	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-31.3	179.1	-57.1	-21.5	0	0	0	110.5	D608 A613	D608-D611 PolarHBondContact N-OD2 3.44Å; D608-D611 WeakPolarHBondContact O-CB 3.43Å; D608-D611 PolarHBondContact O-N 3.34Å; D611-A613 PolarHBondContact O-N 2.72Å
612	W	79.9	Confident	82.1	Confident	41 Å²	41	76.3 Å²	76.3	16%	0.155	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	56.8	173.3	-64.4	-50.7	0	0	0	112.1	M522 L598 A601 C602 Q605 K607 K610 A614 Q615 Y616	M522-W612 HydrophobicContact CE-CD2 3.72Å; M522-W612 HydrophobicContact CE-CE3 3.51Å; M522-W612 HydrophobicContact CE-CG 4.47Å; M522-W612 HydrophobicContact CE-CH2 3.71Å; M522-W612 HydrophobicContact CE-CZ2 3.94Å; M522-W612 HydrophobicContact CE-CZ3 3.49Å; M522-W612 VanDerWaalsContact CE-CZ3 3.49Å; M522-W612 HydrophobicContact SD-CD2 4.13Å; M522-W612 HydrophobicContact SD-CG 4.4Å; M522-W612 HydrophobicContact SD-CZ2 4.43Å; L598-W612 HydrophobicContact CD1-CB 4.3Å; L598-W612 HydrophobicContact CD1-CD2 4.4Å; L598-W612 HydrophobicContact CD1-CE3 3.67Å; L598-W612 HydrophobicContact CD1-CZ3 4.36Å; A601-W612 HydrophobicContact CB-CZ3 4.33Å; C602-W612 HydrophobicContact CB-CZ3 4.3Å; C602-W612 VanDerWaalsContact SG-CZ3 3.52Å; Q605-W612 HydrophobicContact CB-CH2 4.05Å; Q605-W612 HydrophobicContact CG-CH2 4.08Å; K607-W612 HydrophobicContact CB-CH2 4.3Å; K607-W612 HydrophobicContact CD-CH2 4.45Å; K607-W612 HydrophobicContact CD-CZ2 4.07Å; K610-W612 PolarHBondContact O-N 2.91Å; W612-A614 PolarHBondContact O-N 3.23Å; W612-Q615 HydrophobicContact CB-CB 4.15Å; W612-Q615 PolarHBondContact O-N 3.24Å; W612-Q615 VanDerWaalsContact O-N 3.13Å; W612-Q615 PolarHBondContact O-OE1 3.16Å; W612-Y616 WeakPolarHBondContact O-CB 3.48Å; W612-Y616 PolarHBondContact O-N 2.95Å
613	A	82.4	Confident	82	Confident	56 Å²	56	78.4 Å²	78.4	46%	0.463	38%	0.383	S	S	.	.	H	α-helix	trans	-59.4	-14.9	-172.2	0	0	0	0	0	116.1	K610 D611 R617	K610-A613 PolarHBondContact O-N 3.02Å; D611-A613 PolarHBondContact O-N 2.72Å; A613-R617 WeakPolarHBondContact O-CG 3.41Å; A613-R617 PolarHBondContact O-NE 3.45Å
614	A	83.8	Confident	82.1	Confident	54 Å²	54	76.9 Å²	76.9	45%	0.446	38%	0.381	S	S	.	.	H	α-helix	trans	-82.4	-56.9	170.2	0	0	0	0	0	110.9	W612 Y616 R617 E618	W612-A614 PolarHBondContact O-N 3.23Å; A614-Y616 VanDerWaalsContact C-N 3.27Å; A614-Y616 PolarHBondContact O-N 3.44Å; A614-R617 PolarHBondContact O-N 2.91Å; A614-R617 VanDerWaalsContact O-N 3.16Å; A614-E618 PolarHBondContact O-N 3.06Å; A614-E618 VanDerWaalsContact O-N 3.12Å
615	Q	85.8	Confident	82.2	Confident	43 Å²	43	78.7 Å²	78.7	20%	0.201	39%	0.385	C	S	.	.	H	α-helix	trans	-58	-38.2	178.1	-63.7	81	-7.5	0	0	111.6	F521 M522 L598 W612 E618 A619	F521-Q615 HydrophobicContact CE1-CB 3.85Å; F521-Q615 HydrophobicContact CE1-CG 4.39Å; F521-Q615 HydrophobicContact CZ-CB 3.73Å; F521-Q615 HydrophobicContact CZ-CG 4.29Å; F521-Q615 WeakPolarHBondContact CZ-O 3.46Å; M522-Q615 HydrophobicContact SD-CG 4.4Å; L598-Q615 HydrophobicContact CD1-CB 4.34Å; W612-Q615 HydrophobicContact CB-CB 4.15Å; W612-Q615 PolarHBondContact O-N 3.24Å; W612-Q615 VanDerWaalsContact O-N 3.13Å; W612-Q615 PolarHBondContact O-OE1 3.16Å; Q615-E618 PolarHBondContact O-N 2.96Å; Q615-A619 WeakPolarHBondContact O-CB 3.44Å; Q615-A619 PolarHBondContact O-N 2.65Å
616	Y	87	Confident	82.6	Confident	86 Å²	86	78.8 Å²	78.8	34%	0.337	39%	0.394	S	S	.	.	H	α-helix	trans	-63.1	-44	176.4	-174.4	-92.8	0	0	0	112.8	M595 L598 P609 W612 A614 A619 V620	M595-Y616 HydrophobicContact CE-CD2 3.94Å; M595-Y616 HydrophobicContact CE-CE2 3.68Å; M595-Y616 HydrophobicContact SD-CD2 4.49Å; M595-Y616 HydrophobicContact SD-CE2 4.16Å; L598-Y616 HydrophobicContact CD2-CD2 3.93Å; L598-Y616 HydrophobicContact CD2-CG 4.46Å; P609-Y616 HydrophobicContact CB-CD2 3.81Å; P609-Y616 HydrophobicContact CB-CE2 4.05Å; P609-Y616 WeakPolarHBondContact O-CB 3.44Å; P609-Y616 WeakPolarHBondContact O-CD2 3.5Å; W612-Y616 WeakPolarHBondContact O-CB 3.48Å; W612-Y616 PolarHBondContact O-N 2.95Å; A614-Y616 VanDerWaalsContact C-N 3.27Å; A614-Y616 PolarHBondContact O-N 3.44Å; Y616-A619 PolarHBondContact O-N 3.2Å; Y616-V620 HydrophobicContact CD1-CG2 4.1Å; Y616-V620 HydrophobicContact CE1-CG2 3.64Å; Y616-V620 HydrophobicContact CE2-CG2 4.47Å; Y616-V620 WeakPolarHBondContact O-CG2 3.34Å; Y616-V620 PolarHBondContact O-N 2.87Å
617	R	85.9	Confident	82.7	Confident	172 Å²	172	73.9 Å²	73.9	65%	0.649	38%	0.384	S	S	*	.	H	α-helix	trans	-64.3	-46	177.2	-77.8	-178.6	-69.6	147.3	-1.3	111.2	A613 A614 A619 V620 E621	A613-R617 WeakPolarHBondContact O-CG 3.41Å; A613-R617 PolarHBondContact O-NE 3.45Å; A614-R617 PolarHBondContact O-N 2.91Å; A614-R617 VanDerWaalsContact O-N 3.16Å; R617-A619 VanDerWaalsContact C-N 3.3Å; R617-A619 PolarHBondContact O-N 3.25Å; R617-V620 PolarHBondContact O-N 2.91Å; R617-E621 WeakPolarHBondContact O-CB 3.38Å; R617-E621 PolarHBondContact O-N 3.22Å
618	E	87.8	Confident	82.9	Confident	64 Å²	64	73 Å²	73	30%	0.299	39%	0.391	S	S	.	.	H	α-helix	trans	-60.8	-39.8	176.4	-164.8	-168.3	159.5	0	0	112	N525 K594 A614 Q615 M622	N525-E618 PolarHBondContact ND2-OE1 2.92Å; N525-E618 PolarHBondContact ND2-OE2 3Å; N525-E618 VanDerWaalsContact ND2-OE2 3.16Å; N525-E618 PolarHBondContact OD1-OE1 2.83Å; K594-E618 HydrophobicContact CD-CG 4.5Å; K594-E618 IonicContact NZ-OE1 2.73Å; K594-E618 PolarHBondContact NZ-OE1 2.95Å; A614-E618 PolarHBondContact O-N 3.06Å; A614-E618 VanDerWaalsContact O-N 3.12Å; Q615-E618 PolarHBondContact O-N 2.96Å; E618-M622 WeakPolarHBondContact O-CB 3.4Å; E618-M622 PolarHBondContact O-N 3.42Å
619	A	88.6	Confident	83.3	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-66.6	-42.8	176.7	0	0	0	0	0	112.8	F521 K594 M595 L598 Q615 Y616 R617 D623	F521-A619 HydrophobicContact CZ-CB 4.35Å; K594-A619 HydrophobicContact CB-CB 3.73Å; M595-A619 HydrophobicContact CB-CB 4.26Å; M595-A619 HydrophobicContact CE-CB 3.83Å; L598-A619 HydrophobicContact CD2-CB 4.24Å; Q615-A619 WeakPolarHBondContact O-CB 3.44Å; Q615-A619 PolarHBondContact O-N 2.65Å; Y616-A619 PolarHBondContact O-N 3.2Å; R617-A619 VanDerWaalsContact C-N 3.3Å; R617-A619 PolarHBondContact O-N 3.25Å; A619-D623 WeakPolarHBondContact O-CB 3.42Å; A619-D623 PolarHBondContact O-N 3.03Å
620	V	87.7	Confident	83.6	Confident	47 Å²	47	73.3 Å²	73.3	29%	0.285	40%	0.401	S	S	.	.	H	α-helix	trans	-64.2	-45.2	174.8	169.1	0	0	0	0	111.1	M595 Y616 R617 D623 I624	M595-V620 HydrophobicContact CE-CG2 3.52Å; Y616-V620 HydrophobicContact CD1-CG2 4.1Å; Y616-V620 HydrophobicContact CE1-CG2 3.64Å; Y616-V620 HydrophobicContact CE2-CG2 4.47Å; Y616-V620 WeakPolarHBondContact O-CG2 3.34Å; Y616-V620 PolarHBondContact O-N 2.87Å; R617-V620 PolarHBondContact O-N 2.91Å; V620-D623 PolarHBondContact O-N 3.28Å; V620-I624 HydrophobicContact CG1-CD1 3.73Å; V620-I624 HydrophobicContact CG1-CG1 4.48Å; V620-I624 VanDerWaalsContact O-CG1 3.29Å; V620-I624 WeakPolarHBondContact O-CG1 3.4Å; V620-I624 PolarHBondContact O-N 2.89Å
621	E	87.2	Confident	84	Confident	117 Å²	117	71.2 Å²	71.2	55%	0.547	40%	0.401	S	S	.	.	H	α-helix	trans	-62.5	-45.2	179.8	-172.2	178.5	169.6	0	0	111.4	R617 I624 Q625	R617-E621 WeakPolarHBondContact O-CB 3.38Å; R617-E621 PolarHBondContact O-N 3.22Å; E621-I624 PolarHBondContact O-N 2.94Å; E621-Q625 WeakPolarHBondContact O-CG 3.37Å; E621-Q625 PolarHBondContact O-N 3.33Å; E621-Q625 PolarHBondContact OE1-NE2 2.84Å
622	M	84.4	Confident	84.2	Confident	33 Å²	33	69.2 Å²	69.2	16%	0.163	40%	0.398	C	S	.	.	H	α-helix	trans	-67.6	-37.1	179	-158.5	-171.8	80.9	0	0	112.6	Y589 K594 E618 Q625 A626	Y589-M622 HydrophobicContact CD1-CE 3.86Å; Y589-M622 HydrophobicContact CD1-SD 3.74Å; Y589-M622 HydrophobicContact CE1-CE 4.36Å; Y589-M622 HydrophobicContact CE1-SD 3.8Å; K594-M622 HydrophobicContact CB-CE 4.15Å; K594-M622 HydrophobicContact CD-CB 4.42Å; K594-M622 HydrophobicContact CD-CE 3.94Å; K594-M622 HydrophobicContact CD-SD 3.56Å; K594-M622 VanDerWaalsContact CD-SD 3.56Å; K594-M622 VanDerWaalsContact CE-SD 3.53Å; K594-M622 HydrophobicContact CG-CE 3.74Å; K594-M622 HydrophobicContact CG-SD 4.06Å; E618-M622 WeakPolarHBondContact O-CB 3.4Å; E618-M622 PolarHBondContact O-N 3.42Å; M622-Q625 PolarHBondContact O-N 2.84Å; M622-A626 VanDerWaalsContact O-CB 3.24Å; M622-A626 WeakPolarHBondContact O-CB 3.4Å; M622-A626 PolarHBondContact O-N 2.66Å
623	D	83.8	Confident	84.3	Confident	53 Å²	53	69.4 Å²	69.4	28%	0.283	40%	0.401	S	S	.	.	H	α-helix	trans	-62.8	-41.4	173.2	-84.7	14.9	0	0	0	111.2	S593 M595 A619 V620 A626 A627	S593-D623 WeakPolarHBondContact CB-OD1 3.32Å; S593-D623 PolarHBondContact OG-OD1 2.9Å; M595-D623 WeakPolarHBondContact CB-OD2 3.46Å; A619-D623 WeakPolarHBondContact O-CB 3.42Å; A619-D623 PolarHBondContact O-N 3.03Å; V620-D623 PolarHBondContact O-N 3.28Å; D623-A626 PolarHBondContact O-N 2.98Å; D623-A627 WeakPolarHBondContact O-CB 3.31Å; D623-A627 PolarHBondContact O-N 3.27Å
624	I	85.1	Confident	84.2	Confident	110 Å²	110	69.6 Å²	69.6	56%	0.564	40%	0.403	S	S	*	.	H	α-helix	trans	-64.3	-46.9	176.1	-69.7	166.9	0	0	0	111.1	V620 E621 A626 A627 A628	V620-I624 HydrophobicContact CG1-CD1 3.73Å; V620-I624 HydrophobicContact CG1-CG1 4.48Å; V620-I624 VanDerWaalsContact O-CG1 3.29Å; V620-I624 WeakPolarHBondContact O-CG1 3.4Å; V620-I624 PolarHBondContact O-N 2.89Å; E621-I624 PolarHBondContact O-N 2.94Å; I624-A626 PolarHBondContact O-N 3.23Å; I624-A627 PolarHBondContact O-N 3.38Å; I624-A628 PolarHBondContact O-N 3.26Å
625	Q	83.1	Confident	84.2	Confident	105 Å²	105	74 Å²	74	49%	0.491	41%	0.412	S	S	.	.	H	α-helix	trans	-61.2	-44.2	177.1	-70.4	177.6	13.2	0	0	111.3	E621 M622 A627 A628 V629	E621-Q625 WeakPolarHBondContact O-CG 3.37Å; E621-Q625 PolarHBondContact O-N 3.33Å; E621-Q625 PolarHBondContact OE1-NE2 2.84Å; M622-Q625 PolarHBondContact O-N 2.84Å; Q625-A627 PolarHBondContact O-N 2.98Å; Q625-A628 PolarHBondContact O-N 2.98Å; Q625-V629 WeakPolarHBondContact O-CG2 3.34Å; Q625-V629 PolarHBondContact O-N 3.37Å
626	A	82.9	Confident	84.1	Confident	54 Å²	54	74.8 Å²	74.8	45%	0.446	43%	0.425	S	S	.	.	H	α-helix	trans	-62.4	-41.8	177.4	0	0	0	0	0	112.4	M622 D623 I624 V629 A630	M622-A626 VanDerWaalsContact O-CB 3.24Å; M622-A626 WeakPolarHBondContact O-CB 3.4Å; M622-A626 PolarHBondContact O-N 2.66Å; D623-A626 PolarHBondContact O-N 2.98Å; I624-A626 PolarHBondContact O-N 3.23Å; A626-V629 PolarHBondContact O-N 3.03Å; A626-A630 VanDerWaalsContact O-CB 3.32Å; A626-A630 WeakPolarHBondContact O-CB 3.47Å; A626-A630 PolarHBondContact O-N 3.02Å
627	A	81.2	Confident	83.8	Confident	56 Å²	56	72.6 Å²	72.6	46%	0.463	42%	0.416	S	S	.	.	H	α-helix	trans	-64	-44.6	176.2	0	0	0	0	0	112.1	D623 I624 Q625 V629 A630 V631	D623-A627 WeakPolarHBondContact O-CB 3.31Å; D623-A627 PolarHBondContact O-N 3.27Å; I624-A627 PolarHBondContact O-N 3.38Å; Q625-A627 PolarHBondContact O-N 2.98Å; A627-V629 PolarHBondContact O-N 2.99Å; A627-A630 PolarHBondContact O-N 3.28Å; A627-V631 WeakPolarHBondContact O-CG2 3.39Å; A627-V631 PolarHBondContact O-N 2.97Å
628	A	81.5	Confident	83.5	Confident	62 Å²	62	67.3 Å²	67.3	51%	0.512	41%	0.409	S	S	.	.	H	α-helix	trans	-61.9	-43.4	177.2	0	0	0	0	0	112.2	I624 Q625 V631 A632	I624-A628 PolarHBondContact O-N 3.26Å; Q625-A628 PolarHBondContact O-N 2.98Å; A628-V631 PolarHBondContact O-N 3.37Å; A628-A632 PolarHBondContact O-N 2.89Å; A628-A632 VanDerWaalsContact O-N 3.12Å
629	V	84.4	Confident	83.3	Confident	86 Å²	86	69.3 Å²	69.3	52%	0.521	42%	0.419	S	S	.	.	H	α-helix	trans	-63.7	-43.9	174.8	171.4	0	0	0	0	111.1	Q625 A626 A627 V631 A632 E633	Q625-V629 WeakPolarHBondContact O-CG2 3.34Å; Q625-V629 PolarHBondContact O-N 3.37Å; A626-V629 PolarHBondContact O-N 3.03Å; A627-V629 PolarHBondContact O-N 2.99Å; V629-V631 PolarHBondContact O-N 3.48Å; V629-A632 PolarHBondContact O-N 2.87Å; V629-E633 VanDerWaalsContact O-CB 3.29Å; V629-E633 WeakPolarHBondContact O-CB 3.49Å; V629-E633 PolarHBondContact O-N 3.2Å
630	A	81.9	Confident	82.9	Confident	46 Å²	46	70.9 Å²	70.9	38%	0.38	43%	0.432	S	S	.	.	H	α-helix	trans	-62.1	-39.8	179	0	0	0	0	0	112.7	A626 A627 E633 A634	A626-A630 VanDerWaalsContact O-CB 3.32Å; A626-A630 WeakPolarHBondContact O-CB 3.47Å; A626-A630 PolarHBondContact O-N 3.02Å; A627-A630 PolarHBondContact O-N 3.28Å; A630-E633 PolarHBondContact O-N 3.41Å; A630-A634 VanDerWaalsContact O-CB 3.23Å; A630-A634 WeakPolarHBondContact O-CB 3.47Å; A630-A634 PolarHBondContact O-N 2.98Å
631	V	81.4	Confident	82.5	Confident	107 Å²	107	69.8 Å²	69.8	65%	0.648	42%	0.423	S	S	*	.	H	α-helix	trans	-65.4	-42.6	175.3	170.7	0	0	0	0	111.5	A627 A628 V629 K635	A627-V631 WeakPolarHBondContact O-CG2 3.39Å; A627-V631 PolarHBondContact O-N 2.97Å; A628-V631 PolarHBondContact O-N 3.37Å; V629-V631 PolarHBondContact O-N 3.48Å; V631-K635 WeakPolarHBondContact O-CB 3.36Å; V631-K635 PolarHBondContact O-N 3.34Å
632	A	81.6	Confident	82.1	Confident	62 Å²	62	68 Å²	68	51%	0.512	43%	0.428	S	S	.	.	H	α-helix	trans	-65.3	-42.6	176.3	0	0	0	0	0	112.3	A628 V629 K635 A636	A628-A632 PolarHBondContact O-N 2.89Å; A628-A632 VanDerWaalsContact O-N 3.12Å; V629-A632 PolarHBondContact O-N 2.87Å; A632-K635 PolarHBondContact O-N 3.2Å; A632-A636 WeakPolarHBondContact O-CB 3.35Å; A632-A636 PolarHBondContact O-N 2.81Å
633	E	82.8	Confident	81.8	Confident	45 Å²	45	73.5 Å²	73.5	21%	0.21	45%	0.453	C	S	.	.	H	α-helix	trans	-66.1	-41.8	178.1	-165.7	-169.7	157.5	0	0	111.8	K479 V629 A630 A636 R637	K479-E633 WeakPolarHBondContact CE-OE2 3.36Å; K479-E633 IonicContact NZ-OE1 2.74Å; K479-E633 IonicContact NZ-OE2 3.9Å; K479-E633 PolarHBondContact NZ-OE2 3.27Å; V629-E633 VanDerWaalsContact O-CB 3.29Å; V629-E633 WeakPolarHBondContact O-CB 3.49Å; V629-E633 PolarHBondContact O-N 3.2Å; A630-E633 PolarHBondContact O-N 3.41Å; E633-A636 PolarHBondContact O-N 3.41Å; E633-R637 PolarHBondContact O-N 2.89Å; E633-R637 IonicContact OE1-CZ 2.66Å; E633-R637 VanDerWaalsContact OE1-CZ 3.29Å; E633-R637 IonicContact OE1-NH1 2.77Å; E633-R637 PolarHBondContact OE1-NH1 3.32Å; E633-R637 IonicContact OE1-NH2 3.16Å; E633-R637 PolarHBondContact OE1-NH2 3.28Å
634	A	81.2	Confident	81.4	Confident	60 Å²	60	73.7 Å²	73.7	50%	0.496	45%	0.453	S	S	.	.	H	α-helix	trans	-64.2	-41.4	174.8	0	0	0	0	0	112	A630 R637 A638	A630-A634 VanDerWaalsContact O-CB 3.23Å; A630-A634 WeakPolarHBondContact O-CB 3.47Å; A630-A634 PolarHBondContact O-N 2.98Å; A634-R637 PolarHBondContact O-N 3.15Å; A634-A638 WeakPolarHBondContact O-CB 3.3Å; A634-A638 PolarHBondContact O-N 3.11Å
635	K	82.9	Confident	80.7	Confident	147 Å²	147	71.2 Å²	71.2	64%	0.639	45%	0.454	S	S	*	.	H	α-helix	trans	-61.4	-45.9	173.6	-174.7	-175.3	174.5	-172.1	0	111.4	V631 A632 R637 A638 E639	V631-K635 WeakPolarHBondContact O-CB 3.36Å; V631-K635 PolarHBondContact O-N 3.34Å; A632-K635 PolarHBondContact O-N 3.2Å; K635-R637 PolarHBondContact O-N 3.42Å; K635-A638 PolarHBondContact O-N 3.35Å; K635-E639 PolarHBondContact O-N 2.87Å
636	A	83.6	Confident	79.9	Confident	58 Å²	58	67.1 Å²	67.1	48%	0.479	44%	0.436	S	S	.	.	H	α-helix	trans	-61.4	-41.7	178.6	0	0	0	0	0	112.3	A632 E633 E639 A640	A632-A636 WeakPolarHBondContact O-CB 3.35Å; A632-A636 PolarHBondContact O-N 2.81Å; E633-A636 PolarHBondContact O-N 3.41Å; A636-E639 PolarHBondContact O-N 2.66Å; A636-A640 WeakPolarHBondContact O-CB 3.31Å; A636-A640 PolarHBondContact O-N 2.73Å
637	R	80.8	Confident	78.9	Confident	41 Å²	41	66 Å²	66	16%	0.155	43%	0.429	C	S	.	.	H	α-helix	trans	-64.9	-42	172.7	-75.4	-163	-179.8	88.3	10.3	112.9	E464 E633 A634 K635 E639 A640 R641	E464-R637 WeakPolarHBondContact OE1-CD 3.24Å; E464-R637 WeakPolarHBondContact OE1-CG 3.43Å; E464-R637 IonicContact OE1-NE 3.49Å; E464-R637 PolarHBondContact OE1-NE 3.25Å; E633-R637 PolarHBondContact O-N 2.89Å; E633-R637 IonicContact OE1-CZ 2.66Å; E633-R637 VanDerWaalsContact OE1-CZ 3.29Å; E633-R637 IonicContact OE1-NH1 2.77Å; E633-R637 PolarHBondContact OE1-NH1 3.32Å; E633-R637 IonicContact OE1-NH2 3.16Å; E633-R637 PolarHBondContact OE1-NH2 3.28Å; A634-R637 PolarHBondContact O-N 3.15Å; K635-R637 PolarHBondContact O-N 3.42Å; R637-E639 VanDerWaalsContact C-N 3.31Å; R637-E639 PolarHBondContact O-N 3.43Å; R637-A640 PolarHBondContact O-N 2.84Å; R637-R641 WeakPolarHBondContact O-CB 3.43Å; R637-R641 WeakPolarHBondContact O-CD 3.25Å; R637-R641 WeakPolarHBondContact O-CG 3.45Å; R637-R641 PolarHBondContact O-N 2.96Å
638	A	80.2	Confident	77.8	Confident	61 Å²	61	71 Å²	71	50%	0.504	44%	0.443	S	S	.	.	H	α-helix	trans	-60.8	-41.4	177.3	0	0	0	0	0	111.8	A634 K635 A642	A634-A638 WeakPolarHBondContact O-CB 3.3Å; A634-A638 PolarHBondContact O-N 3.11Å; K635-A638 PolarHBondContact O-N 3.35Å; A638-A642 WeakPolarHBondContact O-CB 3.5Å; A638-A642 PolarHBondContact O-N 2.85Å
639	E	82.6	Confident	76.7	Confident	106 Å²	106	73.8 Å²	73.8	50%	0.495	45%	0.446	S	S	.	.	H	α-helix	trans	-66.8	-45.4	175.6	-167.4	175.1	155.2	0	0	112	K635 A636 R637 R641 A642 Q643	K635-E639 PolarHBondContact O-N 2.87Å; A636-E639 PolarHBondContact O-N 2.66Å; R637-E639 VanDerWaalsContact C-N 3.31Å; R637-E639 PolarHBondContact O-N 3.43Å; E639-R641 PolarHBondContact O-N 3.47Å; E639-A642 PolarHBondContact O-N 2.87Å; E639-Q643 WeakPolarHBondContact O-CG 3.47Å; E639-Q643 PolarHBondContact O-N 3.34Å; E639-Q643 PolarHBondContact OE1-NE2 2.86Å
640	A	80	Confident	75.4	Confident	33 Å²	33	69.9 Å²	69.9	27%	0.273	42%	0.422	S	S	.	.	H	α-helix	trans	-62	-43.4	176.7	0	0	0	0	0	112.6	A636 R637 A642 Q643 M644	A636-A640 WeakPolarHBondContact O-CB 3.31Å; A636-A640 PolarHBondContact O-N 2.73Å; R637-A640 PolarHBondContact O-N 2.84Å; A640-A642 VanDerWaalsContact C-N 3.34Å; A640-A642 PolarHBondContact O-N 2.75Å; A640-Q643 PolarHBondContact O-N 3.2Å; A640-M644 HydrophobicContact CB-CE 4.08Å; A640-M644 WeakPolarHBondContact O-CB 3.44Å; A640-M644 WeakPolarHBondContact O-CE 3.43Å; A640-M644 WeakPolarHBondContact O-CG 3.36Å; A640-M644 PolarHBondContact O-N 2.87Å
641	R	80	Confident	74.2	Confident	24 Å²	24	69.9 Å²	69.9	9%	0.091	42%	0.417	C	S	.	.	H	α-helix	trans	-61.9	-40.4	175.2	-71.2	165.8	-175	-173	-4.1	111.6	E464 S467 E471 R637 E639 M644 G645 I646	E464-R641 IonicContact OE2-CZ 3.58Å; E464-R641 VanDerWaalsContact OE2-CZ 3.3Å; E464-R641 IonicContact OE2-NE 3.94Å; E464-R641 PolarHBondContact OE2-NE 2.82Å; E464-R641 IonicContact OE2-NH2 2.65Å; E464-R641 PolarHBondContact OE2-NH2 2.82Å; S467-R641 PolarHBondContact OG-NH2 3.24Å; E471-R641 IonicContact OE2-CZ 3.16Å; E471-R641 IonicContact OE2-NH1 2.67Å; E471-R641 PolarHBondContact OE2-NH1 3.5Å; E471-R641 IonicContact OE2-NH2 3.37Å; E471-R641 PolarHBondContact OE2-NH2 3.5Å; R637-R641 WeakPolarHBondContact O-CB 3.43Å; R637-R641 WeakPolarHBondContact O-CD 3.25Å; R637-R641 WeakPolarHBondContact O-CG 3.45Å; R637-R641 PolarHBondContact O-N 2.96Å; E639-R641 PolarHBondContact O-N 3.47Å; R641-M644 CarbonylContact O-C 3.58Å; R641-M644 PolarHBondContact O-N 3.21Å; R641-G645 PolarHBondContact O-N 3.45Å; R641-I646 HydrophobicContact CB-CB 4.25Å; R641-I646 HydrophobicContact CG-CB 4.44Å; R641-I646 PolarHBondContact O-N 3.45Å
642	A	79.8	Confident	72.8	Confident	79 Å²	79	68.5 Å²	68.5	65%	0.653	42%	0.417	S	S	*	.	H	α-helix	trans	-65.8	-41.8	175.1	0	0	0	0	0	112.6	A638 E639 A640 M644 G645	A638-A642 WeakPolarHBondContact O-CB 3.5Å; A638-A642 PolarHBondContact O-N 2.85Å; E639-A642 PolarHBondContact O-N 2.87Å; A640-A642 VanDerWaalsContact C-N 3.34Å; A640-A642 PolarHBondContact O-N 2.75Å; A642-M644 VanDerWaalsContact C-N 3.3Å; A642-M644 PolarHBondContact O-N 2.84Å; A642-G645 PolarHBondContact O-N 2.7Å
643	Q	77.3	Confident	71.5	Confident	149 Å²	149	67.3 Å²	67.3	70%	0.696	41%	0.411	S	S	*	.	H	α-helix	trans	-64.9	-32.1	175	-70.1	177.9	18.9	0	0	112.8	E639 A640	E639-Q643 WeakPolarHBondContact O-CG 3.47Å; E639-Q643 PolarHBondContact O-N 3.34Å; E639-Q643 PolarHBondContact OE1-NE2 2.86Å; A640-Q643 PolarHBondContact O-N 3.2Å
644	M	74.6	Confident	69.9	Low	57 Å²	57	71.5 Å²	71.5	28%	0.281	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-2	177.7	-68.1	-174.7	-74.9	0	0	114.3	E461 E464 A640 R641 A642 I646	E461-M644 HydrophobicContact CB-SD 3.97Å; E461-M644 HydrophobicContact CG-SD 4Å; E464-M644 HydrophobicContact CB-CE 3.96Å; E464-M644 HydrophobicContact CG-CE 4.14Å; A640-M644 HydrophobicContact CB-CE 4.08Å; A640-M644 WeakPolarHBondContact O-CB 3.44Å; A640-M644 WeakPolarHBondContact O-CE 3.43Å; A640-M644 WeakPolarHBondContact O-CG 3.36Å; A640-M644 PolarHBondContact O-N 2.87Å; R641-M644 CarbonylContact O-C 3.58Å; R641-M644 PolarHBondContact O-N 3.21Å; A642-M644 VanDerWaalsContact C-N 3.3Å; A642-M644 PolarHBondContact O-N 2.84Å; M644-I646 VanDerWaalsContact C-N 3.3Å; M644-I646 HydrophobicContact CB-CD1 3.84Å; M644-I646 HydrophobicContact CB-CG1 3.84Å; M644-I646 HydrophobicContact CE-CD1 3.87Å; M644-I646 PolarHBondContact O-N 2.92Å; M644-I646 HydrophobicContact SD-CD1 4.28Å
645	G	70.3	Confident	68.8	Low	58 Å²	58	70.8 Å²	70.8	60%	0.598	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	19.4	-178.8	0	0	0	0	0	115.1	R641 A642 G647	R641-G645 PolarHBondContact O-N 3.45Å; A642-G645 PolarHBondContact O-N 2.7Å; G645-G647 PolarHBondContact O-N 3.26Å
646	I	67.4	Low	67.2	Low	18 Å²	18	68.4 Å²	68.4	9%	0.092	42%	0.421	C	S	.	.			trans	-76.8	95.6	-174.8	-58.6	172.6	0	0	0	109.8	E464 R465 Y468 R641 M644 A650	E464-I646 HydrophobicContact CB-CD1 3.99Å; R465-I646 HydrophobicContact CG-CD1 3.98Å; R465-I646 HydrophobicContact CG-CG1 4.19Å; R465-I646 HydrophobicContact CG-CG2 4.29Å; Y468-I646 HydrophobicContact CG-CG2 4.36Å; R641-I646 HydrophobicContact CB-CB 4.25Å; R641-I646 HydrophobicContact CG-CB 4.44Å; R641-I646 PolarHBondContact O-N 3.45Å; M644-I646 VanDerWaalsContact C-N 3.3Å; M644-I646 HydrophobicContact CB-CD1 3.84Å; M644-I646 HydrophobicContact CB-CG1 3.84Å; M644-I646 HydrophobicContact CE-CD1 3.87Å; M644-I646 PolarHBondContact O-N 2.92Å; M644-I646 HydrophobicContact SD-CD1 4.28Å; I646-A650 HydrophobicContact CG2-CB 3.88Å
647	G	61.2	Low	65.9	Low	30 Å²	30	69.6 Å²	69.6	31%	0.309	41%	0.413	S	S	.	.	S	Bend	trans	-113.3	-153.8	177.1	0	0	0	0	0	113.8	G645 E649 A650	G645-G647 PolarHBondContact O-N 3.26Å; G647-E649 PolarHBondContact O-N 2.91Å; G647-E649 VanDerWaalsContact O-N 3.12Å; G647-A650 WeakPolarHBondContact O-CB 3.32Å; G647-A650 PolarHBondContact O-N 2.83Å
648	E	57.2	Low	64.2	Low	161 Å²	161	75 Å²	75	75%	0.752	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-60.6	-20.9	179.7	-65.8	-169.2	144.4	0	0	113.7	A650 V651 A652	E648-A650 PolarHBondContact O-N 3.42Å; E648-V651 CarbonylContact O-C 3.52Å; E648-V651 WeakPolarHBondContact O-CA 3.34Å; E648-V651 PolarHBondContact O-N 2.9Å; E648-A652 WeakPolarHBondContact O-CB 3.23Å; E648-A652 PolarHBondContact O-N 3.11Å
649	E	58.4	Low	62.3	Low	122 Å²	122	78.6 Å²	78.6	57%	0.57	46%	0.456	S	S	*	.	G	3₁₀ helix	trans	-53.9	-31.7	170.7	-171.1	178.1	-174.8	0	0	112.8	V418 G647 V651 A652	V418-E649 VanDerWaalsContact CG1-OE1 3.27Å; V418-E649 WeakPolarHBondContact CG1-OE1 3.31Å; G647-E649 PolarHBondContact O-N 2.91Å; G647-E649 VanDerWaalsContact O-N 3.12Å; E649-V651 PolarHBondContact O-N 2.88Å; E649-V651 VanDerWaalsContact O-N 3.14Å; E649-A652 PolarHBondContact O-N 3.25Å
650	A	59	Low	60.5	Low	3 Å²	3	76.5 Å²	76.5	3%	0.025	45%	0.447	C	S	.	.	G	3₁₀ helix	trans	-72.5	-0.5	175.1	0	0	0	0	0	114.2	Q422 Y468 I646 G647 E648	Q422-A650 PolarHBondContact NE2-O 3.49Å; Y468-A650 HydrophobicContact CD1-CB 4.03Å; Y468-A650 HydrophobicContact CE1-CB 4.46Å; I646-A650 HydrophobicContact CG2-CB 3.88Å; G647-A650 WeakPolarHBondContact O-CB 3.32Å; G647-A650 PolarHBondContact O-N 2.83Å; E648-A650 PolarHBondContact O-N 3.42Å
651	V	56.7	Low	58.6	Low	47 Å²	47	81.5 Å²	81.5	29%	0.285	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-26.5	171.4	178.3	0	0	0	0	111	Y468 K472 M473 E648 E649 G653 W655	Y468-V651 HydrophobicContact CD1-CG2 4.09Å; Y468-V651 HydrophobicContact CE1-CG2 3.83Å; K472-V651 HydrophobicContact CB-CG2 4.2Å; M473-V651 HydrophobicContact CG-CG1 4.32Å; M473-V651 HydrophobicContact SD-CG1 4.26Å; E648-V651 CarbonylContact O-C 3.52Å; E648-V651 WeakPolarHBondContact O-CA 3.34Å; E648-V651 PolarHBondContact O-N 2.9Å; E649-V651 PolarHBondContact O-N 2.88Å; E649-V651 VanDerWaalsContact O-N 3.14Å; V651-G653 PolarHBondContact O-N 3.34Å; V651-W655 PolarHBondContact O-NE1 3.43Å
652	A	51.6	Low	56.7	Low	77 Å²	77	85.3 Å²	85.3	64%	0.636	49%	0.49	S	S	*	.			trans	-86.1	80.5	-179.5	0	0	0	0	0	112.9	E648 E649	E648-A652 WeakPolarHBondContact O-CB 3.23Å; E648-A652 PolarHBondContact O-N 3.11Å; E649-A652 PolarHBondContact O-N 3.25Å
653	G	53.4	Low	54.6	Low	38 Å²	38	87.2 Å²	87.2	39%	0.392	49%	0.489	S	S	.	.	S	Bend	trans	-155.5	170.6	167.5	0	0	0	0	0	112	V651 W655	V651-G653 PolarHBondContact O-N 3.34Å; G653-W655 PolarHBondContact O-N 2.9Å
654	P	49.2	Very low	52.5	Low	133 Å²	133	85.3 Å²	85.3	86%	0.864	49%	0.491	S	S	*	.			trans	-67	92.1	174	-19.4	33.5	0	0	0	111	N656	P654-N656 PolarHBondContact O-N 2.88Å
655	W	58.3	Low	50.7	Low	44 Å²	44	89.1 Å²	89.1	17%	0.167	51%	0.512	C	S	.	.			trans	-70.7	96.7	169.9	-66.4	87.8	0	0	0	109	N426 A469 M473 V651 G653 W657	N426-W655 HydrophobicContact CB-CE3 4.16Å; N426-W655 HydrophobicContact CB-CH2 4.29Å; N426-W655 HydrophobicContact CB-CZ3 3.71Å; N426-W655 WeakPolarHBondContact OD1-CH2 3.37Å; N426-W655 VanDerWaalsContact OD1-CZ3 3.3Å; N426-W655 WeakPolarHBondContact OD1-CZ3 3.27Å; A469-W655 HydrophobicContact CB-CH2 3.74Å; A469-W655 HydrophobicContact CB-CZ2 4.21Å; M473-W655 HydrophobicContact CE-CD2 3.95Å; M473-W655 HydrophobicContact CE-CE3 3.84Å; M473-W655 HydrophobicContact CE-CH2 3.4Å; M473-W655 VanDerWaalsContact CE-CH2 3.4Å; M473-W655 HydrophobicContact CE-CZ2 3.49Å; M473-W655 VanDerWaalsContact CE-CZ2 3.49Å; M473-W655 HydrophobicContact CE-CZ3 3.57Å; M473-W655 HydrophobicContact SD-CD2 4.22Å; M473-W655 HydrophobicContact SD-CH2 4.37Å; M473-W655 HydrophobicContact SD-CZ2 3.84Å; V651-W655 PolarHBondContact O-NE1 3.43Å; G653-W655 PolarHBondContact O-N 2.9Å; W655-W657 VanDerWaalsContact C-N 3.3Å; W655-W657 HydrophobicContact CB-CD2 4.44Å; W655-W657 HydrophobicContact CB-CG 4.42Å; W655-W657 HydrophobicContact CB-CZ2 4.19Å; W655-W657 AromaticContact CD2-CZ2 3.98Å; W655-W657 HydrophobicContact CD2-CZ2 3.98Å; W655-W657 AromaticContact CE3-CH2 3.9Å; W655-W657 HydrophobicContact CE3-CH2 3.9Å; W655-W657 AromaticContact CE3-CZ2 3.5Å; W655-W657 HydrophobicContact CE3-CZ2 3.5Å; W655-W657 VanDerWaalsContact CE3-CZ2 3.5Å; W655-W657 HydrophobicContact CG-CZ2 4.28Å; W655-W657 AromaticContact CG-NE1 3.94Å; W655-W657 HydrophobicContact CZ3-CH2 4.33Å; W655-W657 HydrophobicContact CZ3-CZ2 4.24Å; W655-W657 PolarHBondContact O-N 3.34Å
656	N	48.9	Very low	49	Very low	97 Å²	97	92.6 Å²	92.6	52%	0.519	52%	0.522	S	S	.	.			trans	-67.5	91.5	171.3	-177.6	-11.6	0	0	0	109.5	K430 P654 D658 D659	K430-N656 WeakPolarHBondContact CE-O 3.25Å; K430-N656 PolarHBondContact NZ-O 3.14Å; P654-N656 PolarHBondContact O-N 2.88Å; N656-D658 PolarHBondContact OD1-N 3.01Å; N656-D659 PolarHBondContact OD1-N 3.29Å
657	W	56.4	Low	47.1	Very low	83 Å²	83	96.4 Å²	96.4	31%	0.314	55%	0.55	S	S	.	*			trans	-91.8	-12.9	171.9	-64	120.1	0	0	0	112.6	K430 M473 F474 W655 D659 M660	K430-W657 HydrophobicContact CG-CZ3 4.29Å; M473-W657 HydrophobicContact CE-CH2 4.42Å; M473-W657 HydrophobicContact CE-CZ2 3.94Å; F474-W657 AromaticContact CE2-CH2 3.88Å; F474-W657 HydrophobicContact CE2-CH2 3.88Å; F474-W657 HydrophobicContact CE2-CZ2 4.34Å; F474-W657 AromaticContact CZ-CH2 3.59Å; F474-W657 HydrophobicContact CZ-CH2 3.59Å; F474-W657 HydrophobicContact CZ-CZ2 4.09Å; F474-W657 HydrophobicContact CZ-CZ3 4.23Å; W655-W657 VanDerWaalsContact C-N 3.3Å; W655-W657 HydrophobicContact CB-CD2 4.44Å; W655-W657 HydrophobicContact CB-CG 4.42Å; W655-W657 HydrophobicContact CB-CZ2 4.19Å; W655-W657 AromaticContact CD2-CZ2 3.98Å; W655-W657 HydrophobicContact CD2-CZ2 3.98Å; W655-W657 AromaticContact CE3-CH2 3.9Å; W655-W657 HydrophobicContact CE3-CH2 3.9Å; W655-W657 AromaticContact CE3-CZ2 3.5Å; W655-W657 HydrophobicContact CE3-CZ2 3.5Å; W655-W657 VanDerWaalsContact CE3-CZ2 3.5Å; W655-W657 HydrophobicContact CG-CZ2 4.28Å; W655-W657 AromaticContact CG-NE1 3.94Å; W655-W657 HydrophobicContact CZ3-CH2 4.33Å; W655-W657 HydrophobicContact CZ3-CZ2 4.24Å; W655-W657 PolarHBondContact O-N 3.34Å; W657-D659 VanDerWaalsContact C-N 3.3Å; W657-D659 PolarHBondContact O-N 2.89Å; W657-M660 HydrophobicContact CE3-SD 3.66Å; W657-M660 HydrophobicContact CZ3-SD 3.92Å; W657-M660 WeakPolarHBondContact O-CB 3.16Å; W657-M660 PolarHBondContact O-N 2.86Å
658	D	44.9	Very low	45.5	Very low	156 Å²	156	98.7 Å²	98.7	83%	0.834	57%	0.574	S	S	*	*	S	Bend	trans	-69.7	-29.1	-174	-52.6	-68	0	0	0	112.3	N656 M660	N656-D658 PolarHBondContact OD1-N 3.01Å; D658-M660 PolarHBondContact O-N 2.95Å; D658-M660 VanDerWaalsContact O-N 3.08Å
659	D	41.8	Very low	44	Very low	135 Å²	135	94.7 Å²	94.7	72%	0.722	58%	0.575	S	S	*	*	S	Bend	trans	-81.8	48.1	168.2	-166.9	45.4	0	0	0	111.3	N656 W657	N656-D659 PolarHBondContact OD1-N 3.29Å; W657-D659 VanDerWaalsContact C-N 3.3Å; W657-D659 PolarHBondContact O-N 2.89Å
660	M	44.5	Very low	42.8	Very low	62 Å²	62	95.3 Å²	95.3	31%	0.305	59%	0.59	S	S	.	*			trans	-140.8	102.3	179.2	-155	171.7	-176.4	0	0	110.2	W657 D658 I662	W657-M660 HydrophobicContact CE3-SD 3.66Å; W657-M660 HydrophobicContact CZ3-SD 3.92Å; W657-M660 WeakPolarHBondContact O-CB 3.16Å; W657-M660 PolarHBondContact O-N 2.86Å; D658-M660 PolarHBondContact O-N 2.95Å; D658-M660 VanDerWaalsContact O-N 3.08Å; M660-I662 VanDerWaalsContact C-N 3.27Å; M660-I662 HydrophobicContact CB-CD1 4.26Å; M660-I662 HydrophobicContact CB-CG1 4.08Å; M660-I662 HydrophobicContact CG-CD1 4.07Å; M660-I662 HydrophobicContact CG-CG1 3.71Å; M660-I662 WeakPolarHBondContact O-CG1 3.28Å; M660-I662 PolarHBondContact O-N 3.29Å; M660-I662 HydrophobicContact SD-CD1 4.02Å; M660-I662 HydrophobicContact SD-CG1 4.18Å
661	D	39.1	Very low	41.4	Very low	138 Å²	138	100.7 Å²	100.7	74%	0.738	63%	0.627	S	S	*	*			trans	-74.9	74.7	179	-124.5	-34.6	0	0	0	110.9	N663	D661-N663 PolarHBondContact O-N 3.48Å
662	I	40.1	Very low	40	Very low	105 Å²	105	105 Å²	105	54%	0.538	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.3	39.5	-177.8	-48.6	166.8	0	0	0	111	M660 L665	M660-I662 VanDerWaalsContact C-N 3.27Å; M660-I662 HydrophobicContact CB-CD1 4.26Å; M660-I662 HydrophobicContact CB-CG1 4.08Å; M660-I662 HydrophobicContact CG-CD1 4.07Å; M660-I662 HydrophobicContact CG-CG1 3.71Å; M660-I662 WeakPolarHBondContact O-CG1 3.28Å; M660-I662 PolarHBondContact O-N 3.29Å; M660-I662 HydrophobicContact SD-CD1 4.02Å; M660-I662 HydrophobicContact SD-CG1 4.18Å; I662-L665 HydrophobicContact CG2-CD1 4.01Å
663	N	35.3	Very low	38.7	Very low	118 Å²	118	104.9 Å²	104.9	63%	0.631	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	-7.8	174.1	-81.2	-48	0	0	0	113.5	D661 L665	D661-N663 PolarHBondContact O-N 3.48Å; N663-L665 VanDerWaalsContact C-N 3.33Å; N663-L665 PolarHBondContact O-N 3.12Å
664	C	33.2	Very low	37.4	Very low	110 Å²	110	108.4 Å²	108.4	74%	0.743	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	6.9	178.5	-66.6	0	0	0	0	115.1
665	L	37.5	Very low	36.3	Very low	136 Å²	136	105.9 Å²	105.9	71%	0.712	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.8	-6.7	175.4	-79.5	173.9	0	0	0	114.2	I662 N663	I662-L665 HydrophobicContact CG2-CD1 4.01Å; N663-L665 VanDerWaalsContact C-N 3.33Å; N663-L665 PolarHBondContact O-N 3.12Å
666	T	35.3	Very low	34.7	Very low	132 Å²	132	113.9 Å²	113.9	81%	0.81	72%	0.72	S	S	*	*	S	Bend	trans	-145	60.7	178.3	51.9	0	0	0	0	113.3
667	S	27.6	Very low	33.6	Very low	98 Å²	98	115 Å²	115	69%	0.685	74%	0.735	S	S	*	*			trans	-133.4	53.5	-177.8	56.9	0	0	0	0	115.4
668	G	26.1	Very low	32.3	Very low	78 Å²	78	116.5 Å²	116.5	80%	0.804	76%	0.758	S	S	*	*	S	Bend	trans	-122.3	101	155.3	0	0	0	0	0	108.8
669	G	25.8	Very low	31.4	Very low	76 Å²	76	112.5 Å²	112.5	78%	0.784	75%	0.753	S	S	*	*			trans	-78.3	-169	-171.1	0	0	0	0	0	115.1
670	P	33.4	Very low	31.1	Very low	135 Å²	135	112 Å²	112	88%	0.877	76%	0.757	S	S	*	*			cis	-105.5	171.7	19.1	39.3	-35.1	0	0	0	115.3
671	S	29.2	Very low	30.4	Very low	116 Å²	116	113.8 Å²	113.8	81%	0.811	78%	0.776	S	S	*	*			trans	-120.5	145.7	177.8	50.4	0	0	0	0	112.3
672	T	27.7	Very low	29.8	Very low	137 Å²	137	113.9 Å²	113.9	84%	0.84	78%	0.782	S	S	*	*			trans	-147.2	125	176.3	49.1	0	0	0	0	111
673	G	25.7	Very low	29.2	Very low	76 Å²	76	113.1 Å²	113.1	78%	0.784	80%	0.799	S	S	*	*			trans	79.9	108.8	-179.5	0	0	0	0	0	112.6
674	A	26.3	Very low	28.8	Very low	111 Å²	111	110.3 Å²	110.3	92%	0.917	80%	0.799	S	S	*	*				72.1	123.8	61.3	0	0	0	0	0	113.2
675	G	25.8	Very low	28.5	Very low	80 Å²	80	115.9 Å²	115.9	83%	0.825	81%	0.811	S	S	*	*			cis	-170.2	178.7	0.6	0	0	0	0	0	115.1
676	F	24.9	Very low	28	Very low	212 Å²	212	113 Å²	113	93%	0.93	81%	0.814	S	S	*	*			trans	-84.9	153.4	-178.4	-100.3	-101.9	0	0	0	113.6
677	C	24.7	Very low	27.6	Very low	122 Å²	122	111 Å²	111	82%	0.824	82%	0.819	S	S	*	*			trans	-151.9	138.1	147.7	-90.4	0	0	0	0	107.3
678	S	28.9	Very low	27.5	Very low	114 Å²	114	110 Å²	110	80%	0.797	82%	0.824	S	S	*	*			cis	-144	162.1	11.8	-61.8	0	0	0	0	112.1
679	G	25.6	Very low	28.3	Very low	71 Å²	71	111.9 Å²	111.9	73%	0.732	82%	0.822	S	S	*	*			trans	-79	-158.6	170.5	0	0	0	0	0	113.8
680	P	37.4	Very low	28.5	Very low	126 Å²	126	112.7 Å²	112.7	82%	0.818	82%	0.816	S	S	*	*			cis	-119.2	-172.5	28.6	37.5	-19.1	0	0	0	113.1
681	S	27.9	Very low	28.3	Very low	99 Å²	99	113.1 Å²	113.1	69%	0.692	82%	0.816	S	S	*	*			cis	-153.3	142.9	25.3	-54.7	0	0	0	0	115.9
682	T	27.5	Very low	28.3	Very low	140 Å²	140	110.8 Å²	110.8	86%	0.859	81%	0.811	S	S	*	*			trans	22.2	126.3	147.9	53.5	0	0	0	0	124
683	G	28	Very low	29	Very low	88 Å²	88	110.7 Å²	110.7	91%	0.907	81%	0.812	S	S	*	*			trans	102.6	137.9	143.9	0	0	0	0	0	116.6
684	G	26.8	Very low	29	Very low	60 Å²	60	110.1 Å²	110.1	62%	0.619	81%	0.806	S	S	*	*			cis	167.3	139.6	-9.1	0	0	0	0	0	112.5
685	F	25.8	Very low	29	Very low	227 Å²	227	115.6 Å²	115.6	100%	0.996	81%	0.81	S	S	*	*			trans	64.6	149.1	179.4	-43.9	-82.9	0	0	0	116.1
686	G	27.2	Very low	29	Very low	76 Å²	76	115.5 Å²	115.5	78%	0.784	81%	0.809	S	S	*	*			cis	164.1	133.3	-13.5	0	0	0	0	0	113.6
687	G	27.6	Very low	29.3	Very low	89 Å²	89	109 Å²	109	92%	0.918	80%	0.802	S	S	*	*			trans	98.4	137.8	163.3	0	0	0	0	0	118.4
688	G	26	Very low	30.2	Very low	76 Å²	76	109.8 Å²	109.8	78%	0.784	81%	0.806	S	S	*	*			trans	-123.7	-146.3	159.6	0	0	0	0	0	109
689	P	43.1	Very low	30.6	Very low	118 Å²	118	109.8 Å²	109.8	77%	0.766	81%	0.805	S	S	*	*			cis	-138.7	-179.7	-5.9	39.2	-19.6	0	0	0	115.3
690	S	28.8	Very low	30.8	Very low	94 Å²	94	113.4 Å²	113.4	66%	0.657	81%	0.814	S	S	*	*			trans	46.8	125.1	146.7	63.2	0	0	0	0	122.7
691	T	28.7	Very low	30.5	Very low	143 Å²	143	110.7 Å²	110.7	88%	0.877	81%	0.808	S	S	*	*				172.4	159.4	111.1	32.6	0	0	0	0	112.3
692	G	29.4	Very low	31.4	Very low	68 Å²	68	112.5 Å²	112.5	70%	0.701	82%	0.818	S	S	*	*			trans	-123.9	-162.3	157.4	0	0	0	0	0	109.1
693	P	42.3	Very low	31.4	Very low	134 Å²	134	108.8 Å²	108.8	87%	0.87	81%	0.808	S	S	*	*			cis	-137.9	-175.9	5	43.5	-26.9	0	0	0	115.3
694	G	27.1	Very low	31.3	Very low	64 Å²	64	115.4 Å²	115.4	66%	0.66	81%	0.812	S	S	*	*			trans	112.7	128.3	136.4	0	0	0	0	0	121.4
695	F	26.6	Very low	31.2	Very low	226 Å²	226	116.2 Å²	116.2	99%	0.991	82%	0.82	S	S	*	*			trans	49.7	134.2	143.7	-73.4	-90.7	0	0	0	123.7
696	G	25.5	Very low	31.3	Very low	79 Å²	79	109.1 Å²	109.1	81%	0.814	81%	0.811	S	S	*	*			trans	154.9	120.2	153.5	0	0	0	0	0	116.6
697	G	31.2	Very low	32.1	Very low	76 Å²	76	112 Å²	112	78%	0.784	82%	0.816	S	S	*	*			trans	-103.6	-164	156.9	0	0	0	0	0	110.5
698	P	43.1	Very low	32.2	Very low	138 Å²	138	113.2 Å²	113.2	90%	0.896	81%	0.81	S	S	*	*			cis	-137.6	-145.8	20	43.2	-22.9	0	0	0	113.7
699	S	37.9	Very low	32.6	Very low	113 Å²	113	116.5 Å²	116.5	79%	0.79	82%	0.816	S	S	*	*			trans	-143.9	147	-174.1	49.7	0	0	0	0	114.5
700	T	28.3	Very low	31.9	Very low	148 Å²	148	114.7 Å²	114.7	91%	0.908	82%	0.818	S	S	*	*			trans	-160	148.6	172.3	42	0	0	0	0	113.5
701	G	32.7	Very low	32	Very low	68 Å²	68	114.2 Å²	114.2	70%	0.701	83%	0.828	S	S	*	*			trans	-110.7	-145.5	156.8	0	0	0	0	0	110.2
702	P	46.7	Very low	31.8	Very low	138 Å²	138	110.8 Å²	110.8	90%	0.896	82%	0.821	S	S	*	*			cis	-143	-175.3	-10.8	43.7	-26	0	0	0	115.7
703	G	26.8	Very low	31.8	Very low	62 Å²	62	118.2 Å²	118.2	64%	0.639	83%	0.834	S	S	*	*			trans	118.5	137.2	139.6	0	0	0	0	0	123
704	F	25.5	Very low	31.1	Very low	226 Å²	226	115.6 Å²	115.6	99%	0.991	83%	0.832	S	S	*	*			trans	53.1	149.9	153.2	-60.9	-91.6	0	0	0	122.4
705	G	25.5	Very low	31.1	Very low	77 Å²	77	116.1 Å²	116.1	79%	0.794	84%	0.837	S	S	*	*			cis	161	127.6	-16.3	0	0	0	0	0	117.3
706	G	27.9	Very low	32.7	Very low	79 Å²	79	111.5 Å²	111.5	81%	0.814	83%	0.83	S	S	*	*			trans	88.8	169.5	163.1	0	0	0	0	0	118.5
707	P	43.1	Very low	32.9	Very low	137 Å²	137	115.6 Å²	115.6	89%	0.89	83%	0.833	S	S	*	*			cis	-126.6	-148	1	43.4	-25.9	0	0	0	115.3
708	S	31.1	Very low	33	Very low	113 Å²	113	118.3 Å²	118.3	79%	0.79	83%	0.834	S	S	*	*			trans	-127.5	161	-146.5	-43.1	0	0	0	0	119.5
709	T	33.9	Very low	32.3	Very low	146 Å²	146	115.6 Å²	115.6	90%	0.896	83%	0.832	S	S	*	*			trans	-164.6	160.6	130.3	35.4	0	0	0	0	108.3
710	G	28.8	Very low	31.9	Very low	80 Å²	80	114.1 Å²	114.1	83%	0.825	83%	0.834	S	S	*	*			cis	127.7	112.8	-17.2	0	0	0	0	0	115.1
711	G	29.1	Very low	31.8	Very low	83 Å²	83	110.4 Å²	110.4	86%	0.856	83%	0.826	S	S	*	*			cis	159.2	133.9	-14.1	0	0	0	0	0	114.8
712	G	25.2	Very low	31.5	Very low	71 Å²	71	117.6 Å²	117.6	73%	0.732	84%	0.838	S	S	*	*			trans	-169	138.8	172.6	0	0	0	0	0	112.1
713	F	29	Very low	30.5	Very low	225 Å²	225	114.6 Å²	114.6	99%	0.987	83%	0.832	S	S	*	*			cis	92.1	123.1	37.1	-82.2	-67.1	0	0	0	115.1
714	G	27.3	Very low	30.7	Very low	79 Å²	79	115.1 Å²	115.1	81%	0.814	84%	0.838	S	S	*	*			trans	166.4	122.1	171.1	0	0	0	0	0	114.4
715	G	27.2	Very low	31.6	Very low	75 Å²	75	110.1 Å²	110.1	77%	0.773	83%	0.828	S	S	*	*			trans	-105.2	-177.5	177.3	0	0	0	0	0	114.2
716	P	61.5	Low	31.8	Very low	128 Å²	128	111.4 Å²	111.4	83%	0.831	83%	0.825	S	S	*	*			trans	-89.4	160.3	-167.9	36	-37.1	0	0	0	114.6
717	N	28.9	Very low	32	Very low	165 Å²	165	114.6 Å²	114.6	88%	0.882	83%	0.829	S	S	*	*			trans	-158.6	175.6	155.1	-132.5	-26.6	0	0	0	115.3
718	T	33.7	Very low	31.3	Very low	133 Å²	133	111.8 Å²	111.8	82%	0.816	83%	0.825	S	S	*	*			trans	-101.8	152.6	-165.6	55.5	0	0	0	0	116.6
719	G	28.7	Very low	31.3	Very low	82 Å²	82	110.7 Å²	110.7	85%	0.845	83%	0.831	S	S	*	*			trans	165.8	156.8	160.6	0	0	0	0	0	112.5
720	G	28.3	Very low	31	Very low	81 Å²	81	107 Å²	107	84%	0.835	82%	0.822	S	S	*	*			cis	156.3	88	-9.4	0	0	0	0	0	114.5
721	G	26.7	Very low	31	Very low	71 Å²	71	113.8 Å²	113.8	73%	0.732	83%	0.829	S	S	*	*			trans	84.2	170.8	177.5	0	0	0	0	0	114.8
722	F	27.2	Very low	30.9	Very low	218 Å²	218	113.6 Å²	113.6	96%	0.956	83%	0.827	S	S	*	*			cis	-157	157.2	-6.3	-108.7	-76.1	0	0	0	109.4
723	G	26.1	Very low	31.1	Very low	75 Å²	75	113.8 Å²	113.8	77%	0.773	83%	0.829	S	S	*	*			trans	110.4	115.7	155.5	0	0	0	0	0	118.9
724	G	29.3	Very low	32	Very low	74 Å²	74	108.8 Å²	108.8	76%	0.763	82%	0.819	S	S	*	*			trans	-100.7	-156.9	140.9	0	0	0	0	0	109.3
725	P	44.8	Very low	32.1	Very low	120 Å²	120	110.1 Å²	110.1	78%	0.779	82%	0.816	S	S	*	*			cis	-138.9	-168.6	12	44.1	-26	0	0	0	115.1
726	S	30.4	Very low	32.2	Very low	104 Å²	104	113.6 Å²	113.6	73%	0.727	82%	0.822	S	S	*	*			trans	44.2	125.5	150.5	-55.3	0	0	0	0	120
727	T	32.3	Very low	30.7	Very low	147 Å²	147	111.1 Å²	111.1	90%	0.902	82%	0.82	S	S	*	*				-169.8	171.7	65.8	39.1	0	0	0	0	108.4
728	G	29	Very low	30.7	Very low	78 Å²	78	107.5 Å²	107.5	80%	0.804	82%	0.822	S	S	*	*			cis	160.6	137.7	-3.6	0	0	0	0	0	108.9
729	G	29.7	Very low	30.4	Very low	89 Å²	89	104.4 Å²	104.4	92%	0.918	82%	0.817	S	S	*	*			trans	163	95	-177.1	0	0	0	0	0	113
730	G	28.5	Very low	30.3	Very low	68 Å²	68	111.3 Å²	111.3	70%	0.701	82%	0.823	S	S	*	*			trans	-144.1	153.3	175.6	0	0	0	0	0	111.6
731	F	28.7	Very low	30.3	Very low	224 Å²	224	111.2 Å²	111.2	98%	0.982	82%	0.822	S	S	*	*			trans	-138.7	152.2	163.3	-87.6	-85.5	0	0	0	107
732	G	27.5	Very low	30.3	Very low	79 Å²	79	111.4 Å²	111.4	81%	0.814	83%	0.825	S	S	*	*			trans	-172.2	173.5	-177	0	0	0	0	0	116
733	G	29.5	Very low	31.2	Very low	75 Å²	75	106.6 Å²	106.6	77%	0.773	82%	0.816	S	S	*	*			trans	85.2	173.7	179	0	0	0	0	0	115.2
734	P	46.2	Very low	31.3	Very low	120 Å²	120	107.8 Å²	107.8	78%	0.779	81%	0.812	S	S	*	*			cis	-144	152.8	-40.1	36.7	-20.7	0	0	0	115.9
735	S	29.4	Very low	31.3	Very low	106 Å²	106	111 Å²	111	74%	0.741	82%	0.817	S	S	*	*			trans	68	157.5	141.4	-62.9	0	0	0	0	123.2
736	T	30.4	Very low	30.4	Very low	148 Å²	148	109.1 Å²	109.1	91%	0.908	82%	0.82	S	S	*	*			trans	73.6	140.4	171.2	72.4	0	0	0	0	117
737	G	29.7	Very low	30.1	Very low	76 Å²	76	108.4 Å²	108.4	78%	0.784	83%	0.828	S	S	*	*			cis	175.9	179	-7.4	0	0	0	0	0	113.2
738	G	28.8	Very low	29.7	Very low	90 Å²	90	105.2 Å²	105.2	93%	0.928	82%	0.824	S	S	*	*			trans	98.4	146.1	168	0	0	0	0	0	116.8
739	G	26.8	Very low	29.7	Very low	68 Å²	68	112.2 Å²	112.2	70%	0.701	83%	0.833	S	S	*	*			trans	-168	-167.2	174.6	0	0	0	0	0	111.3
740	F	27.2	Very low	29.5	Very low	226 Å²	226	111.8 Å²	111.8	99%	0.991	83%	0.829	S	S	*	*			trans	93.4	140.1	178.9	-67	-82.5	0	0	0	118.9
741	G	27.5	Very low	29.6	Very low	79 Å²	79	112 Å²	112	81%	0.814	83%	0.831	S	S	*	*			trans	82.5	119.4	176.6	0	0	0	0	0	114.9
742	G	27.8	Very low	30.2	Very low	76 Å²	76	107 Å²	107	78%	0.784	82%	0.821	S	S	*	*			cis	92.6	147.3	-2.2	0	0	0	0	0	114.7
743	P	46.2	Very low	30.3	Very low	117 Å²	117	108.6 Å²	108.6	76%	0.76	82%	0.82	S	S	*	*			cis	-135.4	-164.3	0.1	43.3	-25	0	0	0	114.8
744	S	27.3	Very low	30.3	Very low	99 Å²	99	111.4 Å²	111.4	69%	0.692	82%	0.822	S	S	*	*			trans	59.8	102.1	152.4	-56.3	0	0	0	0	120
745	T	29.2	Very low	29.7	Very low	142 Å²	142	110.5 Å²	110.5	87%	0.871	83%	0.825	S	S	*	*				66	122.5	78	65	0	0	0	0	117.6
746	G	26.7	Very low	29.8	Very low	81 Å²	81	109.9 Å²	109.9	84%	0.835	83%	0.826	S	S	*	*			trans	128	100.9	133.9	0	0	0	0	0	119.8
747	G	24.8	Very low	29.9	Very low	88 Å²	88	106 Å²	106	91%	0.907	82%	0.816	S	S	*	*			trans	71	-169.1	149.4	0	0	0	0	0	118.2
748	G	23.6	Very low	29.9	Very low	80 Å²	80	112.6 Å²	112.6	83%	0.825	82%	0.823	S	S	*	*			trans	115.8	86.8	173.4	0	0	0	0	0	115.7
749	F	28.8	Very low	29.9	Very low	226 Å²	226	111.1 Å²	111.1	99%	0.991	81%	0.808	S	S	*	*			trans	-66.6	153.4	152.4	-84.6	-113.2	0	0	0	109.4
750	G	24.9	Very low	30.2	Very low	80 Å²	80	114.3 Å²	114.3	83%	0.825	82%	0.82	S	S	*	*			trans	153	95.8	159.6	0	0	0	0	0	115.8
751	G	30.7	Very low	30.2	Very low	73 Å²	73	106.7 Å²	106.7	75%	0.753	80%	0.804	S	S	*	*			trans	-109.2	128.8	158.7	0	0	0	0	0	110.2
752	P	40.9	Very low	30.3	Very low	118 Å²	118	111.2 Å²	111.2	77%	0.766	81%	0.809	S	S	*	*			trans	-71.7	137.4	162.7	30.2	-31.3	0	0	0	109.5
753	S	29	Very low	30.2	Very low	112 Å²	112	112.5 Å²	112.5	78%	0.783	81%	0.806	S	S	*	*				62	121.8	72.3	-58	0	0	0	0	111.5
754	T	30.2	Very low	29.4	Very low	134 Å²	134	113.7 Å²	113.7	82%	0.822	81%	0.811	S	S	*	*			cis	-134	141.1	41	40.1	0	0	0	0	112.9
755	A	33.8	Very low	29.5	Very low	101 Å²	101	114 Å²	114	84%	0.835	81%	0.814	S	S	*	*				75.5	134.8	70.1	0	0	0	0	0	114.2
756	A	30.8	Very low	29.6	Very low	93 Å²	93	113.9 Å²	113.9	77%	0.769	81%	0.813	S	S	*	*			cis	-139.3	161.2	-0.8	0	0	0	0	0	109.2
757	G	32.3	Very low	29.6	Very low	67 Å²	67	113.8 Å²	113.8	69%	0.691	81%	0.812	S	S	*	*				97.4	131.7	52.2	0	0	0	0	0	108.7
758	F	31.2	Very low	29.8	Very low	214 Å²	214	120.6 Å²	120.6	94%	0.939	82%	0.817	S	S	*	*			cis	-147.4	177.6	16.5	-64.5	-97	0	0	0	109.3
759	G	28.9	Very low	30	Very low	60 Å²	60	120.6 Å²	120.6	62%	0.619	82%	0.817	S	S	*	*			cis	170.6	170.2	-5.4	0	0	0	0	0	113
760	S	31.7	Very low	29.9	Very low	135 Å²	135	113.9 Å²	113.9	94%	0.944	81%	0.812	S	S	*	*			trans	59.1	136.1	173.2	60.2	0	0	0	0	119.5
761	G	28.7	Very low	30	Very low	65 Å²	65	113.5 Å²	113.5	67%	0.67	81%	0.807	S	S	*	*			cis	175.7	166.6	-7.2	0	0	0	0	0	115.3
762	L	28.4	Very low	29.9	Very low	175 Å²	175	117.5 Å²	117.5	92%	0.916	81%	0.811	S	S	*	*			trans	62.7	151.5	169.7	-90.3	67.3	0	0	0	119.8
763	S	27	Very low	29.3	Very low	103 Å²	103	118.3 Å²	118.3	72%	0.72	81%	0.809	S	S	*	*			trans	-148	168.2	179.7	-68.8	0	0	0	0	110.4
764	T	28.6	Very low	29.3	Very low	141 Å²	141	119.2 Å²	119.2	87%	0.865	81%	0.81	S	S	*	*			trans	78.9	150.9	171.5	82.7	0	0	0	0	115.4
765	S	29.4	Very low	29.4	Very low	107 Å²	107	118.2 Å²	118.2	75%	0.748	81%	0.808	S	S	*	*			cis	-146.7	178.4	6.6	65	0	0	0	0	113.8
766	T	30.7	Very low	29.3	Very low	139 Å²	139	118.6 Å²	118.6	85%	0.853	81%	0.811	S	S	*	*			trans	-38.7	148.9	174.9	49.2	0	0	0	0	119
767	G	27	Very low	29.2	Very low	79 Å²	79	117.7 Å²	117.7	81%	0.814	81%	0.811	S	S	*	*			trans	-164.7	138	161.3	0	0	0	0	0	114
768	F	28.9	Very low	29.1	Very low	231 Å²	231	124.4 Å²	124.4	100%	1.013	82%	0.822	S	S	*	*			trans	-101.3	150.8	172.3	-108.4	-103.8	0	0	0	110.1
769	G	27.6	Very low	29.2	Very low	80 Å²	80	120 Å²	120	83%	0.825	82%	0.817	S	S	*	*			trans	159.2	154.1	169.6	0	0	0	0	0	112.7
770	G	27.4	Very low	29.2	Very low	85 Å²	85	120.9 Å²	120.9	88%	0.876	83%	0.827	S	S	*	*			trans	-164.4	169.1	175.6	0	0	0	0	0	112.7
771	G	27.2	Very low	29.2	Very low	71 Å²	71	118 Å²	118	73%	0.732	82%	0.818	S	S	*	*			trans	132.3	136.2	169.7	0	0	0	0	0	115.7
772	L	28.1	Very low	30.4	Very low	157 Å²	157	120.8 Å²	120.8	82%	0.822	82%	0.824	S	S	*	*			trans	70.8	123.3	150.3	-64.4	165.4	0	0	0	121.6
773	N	29	Very low	31	Very low	136 Å²	136	118.6 Å²	118.6	73%	0.727	82%	0.82	S	S	*	*			trans	45.7	128.6	132.5	-61.3	-0.7	0	0	0	122.3
774	T	28.6	Very low	31.3	Very low	131 Å²	131	119.2 Å²	119.2	80%	0.804	83%	0.825	S	S	*	*				179.6	121.4	112.6	28.3	0	0	0	0	106.6
775	S	31.4	Very low	31.4	Very low	113 Å²	113	119.8 Å²	119.8	79%	0.79	83%	0.828	S	S	*	*				88.6	111.8	52.6	75.7	0	0	0	0	114.2
776	A	32.8	Very low	31.5	Very low	109 Å²	109	118.3 Å²	118.3	90%	0.901	83%	0.83	S	S	*	*			trans	-144.5	134.6	158.3	0	0	0	0	0	108.1
777	G	29	Very low	31.6	Very low	74 Å²	74	119 Å²	119	76%	0.763	83%	0.834	S	S	*	*			trans	-119.2	-153	171.1	0	0	0	0	0	109.8
778	F	30.1	Very low	31.8	Very low	208 Å²	208	118.3 Å²	118.3	91%	0.912	83%	0.827	S	S	*	*			cis	-170.5	132	-11.9	-155	-77.9	0	0	0	105.6
779	S	33.1	Very low	31.8	Very low	120 Å²	120	117.7 Å²	117.7	84%	0.839	83%	0.825	S	S	*	*			trans	179.4	159.5	161.4	47.1	0	0	0	0	112.2
780	G	28.8	Very low	31.9	Very low	80 Å²	80	117.7 Å²	117.7	83%	0.825	83%	0.825	S	S	*	*			trans	104	84.2	169.8	0	0	0	0	0	115.5
781	G	31.2	Very low	31.9	Very low	73 Å²	73	117.5 Å²	117.5	75%	0.753	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-85.3	170.4	163.3	0	0	0	0	0	112.6
782	P	54.3	Low	32	Very low	124 Å²	124	118.1 Å²	118.1	81%	0.805	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-95.3	165.5	-170.6	38	-36.6	0	0	0	113.8
783	P	40.8	Very low	32.2	Very low	129 Å²	129	114.8 Å²	114.8	84%	0.838	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-94	146.8	149.2	35.3	-28.7	0	0	0	110.9
784	S	32.8	Very low	32.3	Very low	116 Å²	116	114.4 Å²	114.4	81%	0.811	83%	0.832	S	S	*	*			trans	-109.9	146.3	167.6	53.1	0	0	0	0	109.9
785	T	32.1	Very low	32.5	Very low	154 Å²	154	113.1 Å²	113.1	95%	0.945	83%	0.828	S	S	*	*			trans	-135.4	134.1	156.7	44.1	0	0	0	0	108.1
786	G	31.1	Very low	32.6	Very low	75 Å²	75	116.9 Å²	116.9	77%	0.773	83%	0.833	S	S	*	*			trans	-128.6	148	176.5	0	0	0	0	0	110.2
787	T	32.2	Very low	32.5	Very low	153 Å²	153	115.8 Å²	115.8	94%	0.939	83%	0.833	S	S	*	*			trans	-135.8	144.7	160.4	42.1	0	0	0	0	107.5
788	G	31.5	Very low	32.8	Very low	66 Å²	66	116.1 Å²	116.1	68%	0.68	84%	0.836	S	S	*	*			trans	-161.9	150.4	-179.2	0	0	0	0	0	112.3
789	F	28.6	Very low	32.9	Very low	218 Å²	218	112.8 Å²	112.8	96%	0.956	84%	0.837	S	S	*	*			trans	-149.5	139.8	163.4	-87.2	-87	0	0	0	103.5
790	G	29.2	Very low	32.8	Very low	80 Å²	80	110.4 Å²	110.4	83%	0.825	83%	0.831	S	S	*	*				89.2	119.1	54.3	0	0	0	0	0	108.8
791	G	28.9	Very low	33.4	Very low	81 Å²	81	116.5 Å²	116.5	84%	0.835	84%	0.835	S	S	*	*			cis	175.7	168.7	-4.7	0	0	0	0	0	112.3
792	G	28.9	Very low	34.8	Very low	83 Å²	83	118.4 Å²	118.4	86%	0.856	83%	0.834	S	S	*	*			trans	74	176.3	176.7	0	0	0	0	0	116
793	A	31.6	Very low	34.1	Very low	88 Å²	88	123.3 Å²	123.3	73%	0.727	84%	0.839	S	S	*	*			cis	-177.5	143.9	-29.2	0	0	0	0	0	109
794	S	31.1	Very low	34.4	Very low	128 Å²	128	124.4 Å²	124.4	90%	0.895	87%	0.873	S	S	*	*			trans	60	157.8	176.4	67.8	0	0	0	0	116.6
795	S	33.9	Very low	34.5	Very low	104 Å²	104	124.8 Å²	124.8	73%	0.727	88%	0.876	S	S	*	*			cis	-129.2	154	-7.2	64.9	0	0	0	0	108.6
796	H	32.5	Very low	34.6	Very low	191 Å²	191	123.3 Å²	123.3	88%	0.884	87%	0.873	S	S	*	*				56.5	109.9	60.1	-95.4	57.4	0	0	0	114.4
797	G	31.1	Very low	34.8	Very low	87 Å²	87	125.9 Å²	125.9	90%	0.897	88%	0.878	S	S	*	*			trans	166.8	87.6	179.1	0	0	0	0	0	111.3
798	G	34.1	Very low	34.9	Very low	81 Å²	81	124.4 Å²	124.4	84%	0.835	88%	0.875	S	S	*	*			trans	-128.2	119.4	-174.3	0	0	0	0	0	113.6
799	C	32.8	Very low	35.2	Very low	138 Å²	138	128 Å²	128	93%	0.932	89%	0.887	S	S	*	*			trans	-168.7	157.2	164.9	55.3	0	0	0	0	107.3
800	G	32	Very low	35.6	Very low	70 Å²	70	122 Å²	122	72%	0.722	88%	0.882	S	S	*	*			cis	161	114.6	-3	0	0	0	0	0	109.2
801	F	40.9	Very low	36	Very low	207 Å²	207	125 Å²	125	91%	0.908	89%	0.886	S	S	*	*			trans	-60	147	172.4	-83.1	-81.6	0	0	0	110.5
802	P	59.7	Low	36.6	Very low	113 Å²	113	128.4 Å²	128.4	73%	0.734	89%	0.89	S	S	*	*				-146.4	167.7	80.1	39.6	-22	0	0	0	117.8
803	Y	40.9	Very low	37.2	Very low	227 Å²	227	132.2 Å²	132.2	89%	0.89	89%	0.893	S	S	*	*			trans	-12.8	139.4	160.7	-72.5	-94.9	0	0	0	120.3
804	G	46.3	Very low	37.8	Very low	152 Å²	152	136.2 Å²	136.2	100%	1.567	91%	0.908	S	S	*	*			trans	-156	0	156.8	0	0	0	0	0	109.3

Retrieved 804 of 804 residues in 1546.8 ms (Link to these results)

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