A0A087YI10_POEFO Loading...

Phosphodiesterase

Hydrolyzes the second messenger cAMP, which is a key regulator of many important physiological processes. May be involved in maintaining basal levels of the cyclic nucleotide and/or in the cAMP regulation of germ cell development. Binding to RAF1 reduces RAF1 'Ser-259' inhibitory-phosphorylation and stimulates RAF1-dependent EGF-activated ERK-signaling. Protects against cell death induced by hydrogen peroxide and staurosporine.

AlphaFold DB , UniProt , Accession A0A087YI10, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 845 aa.

						>A0A087YI10_POEFO|A0A087YI10
MGCASSIHISDRVVYHSGKESEDSHSPQQTNTTQHQGNPASGLPLKPPSCKESGQKKIPSDSGHNRKEQQSGETTSGKTTLTEVQFGPMKLFKDPLQVLLVFAKEDSQSNGFCWACEKANYRCSMVRTPEYALECFSEKHHDLVIIDHRHSRHFDAEALCRSFRAVNSSENTVIVAVVKRPDREEASVMPLINAGFNRRYVENVNLMACYNELLQLEHGEVRAQFKLRASNAIFTALEQSQDAIEITSEDQVIQYVNPAYESIMGYQQGELVGKEIIEVPKSEKNKPDLLETINSCIRKGKEWQGIYYAKKKNGDNIQQNVKITPVIGQGGKIRHYVSINRPLNDNNKSDKSADRVQAESQTDIQSCKHKDRRKGSLDVKSITSRGSDASSQRRHSSMARIHSMTIEAPITKVINIINQAQESSPMPVAEALDRVLEILRTTELYSPQLGTKDEDPHTSDLVGGLMTDGLRRMSGNEYILATKQPHHLPSHLATPLSLNDIPPRIAQTMESEDSWDFDIFSLEAATMKRPLTFLGLKIFSRFGVCEFLNCPEATLRSWLQVIEANYHSSNSYHNSTHAADVLHATAYFLSKERVKQSLDPIDEVAALIAATVHDIDHPGRTNSFLCNAGSELAILYNDTAVLESHHAALAFQLTTRDDKSNIFKHIERNEYRSLRQAVIDMVLATEMTKHFEHVNKFVNSINKPLAALEENGGSSDEETVKSVLTSPENRILVKRMLIKCADISNPCRPLELCIEWAGRISEEYFAQTDEEKRQGLPVVMPVFDRNTCSIPKSQISFIDYFITDMFDAWDAFADLPNLMQHLDNNFKYWKGLDDRKLHTLRPPPE
					

Structure Viewer

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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	29.2	Very low	24.7	Very low	229 Å²	229	134.5 Å²	134.5	100%	1.128	82%	0.82	S	S	*	*				0	119.4	0	-64.7	173.2	-173.7	0	0	107.7
2	G	24.8	Very low	24.8	Very low	80 Å²	80	143.1 Å²	143.1	83%	0.825	83%	0.826	S	S	*	*			trans	-75.9	156.3	137.3	0	0	0	0	0	107.8
3	C	24.3	Very low	24.7	Very low	118 Å²	118	142.7 Å²	142.7	80%	0.797	83%	0.827	S	S	*	*			trans	-114	113.9	173.8	-71.9	0	0	0	0	108.9
4	A	23.9	Very low	24.7	Very low	96 Å²	96	141.7 Å²	141.7	79%	0.793	82%	0.824	S	S	*	*			trans	-66.9	155.7	167.7	0	0	0	0	0	110.5	S6	A4-S6 PolarHBondContact O-N 2.65Å
5	S	25.7	Very low	24.8	Very low	117 Å²	117	146.9 Å²	146.9	82%	0.818	83%	0.827	S	S	*	*			trans	-82.4	110.3	179.8	-63.8	0	0	0	0	111.5	I7	S5-I7 PolarHBondContact O-N 2.74Å
6	S	23.2	Very low	24.6	Very low	113 Å²	113	149.8 Å²	149.8	79%	0.79	83%	0.83	S	S	*	*			trans	-72.3	108.1	174.8	-53.2	0	0	0	0	111.7	A4	A4-S6 PolarHBondContact O-N 2.65Å
7	I	24.9	Very low	24.6	Very low	149 Å²	149	147.9 Å²	147.9	76%	0.764	83%	0.831	S	S	*	*			trans	-84.1	112.1	169.2	-60.3	175.8	0	0	0	108.5	S5 I9	S5-I7 PolarHBondContact O-N 2.74Å; I7-I9 HydrophobicContact CG2-CG1 4.22Å; I7-I9 PolarHBondContact O-N 2.89Å
8	H	23.2	Very low	24.6	Very low	186 Å²	186	143.8 Å²	143.8	86%	0.861	83%	0.826	S	S	*	*			trans	-86.9	101.7	169.3	-102.3	-62.3	0	0	0	110.5
9	I	23.8	Very low	24.7	Very low	135 Å²	135	144.9 Å²	144.9	69%	0.692	82%	0.821	S	S	*	*			trans	-76.8	136.5	161.1	-59.8	176.7	0	0	0	107.7	I7	I7-I9 HydrophobicContact CG2-CG1 4.22Å; I7-I9 PolarHBondContact O-N 2.89Å
10	S	24.6	Very low	24.8	Very low	110 Å²	110	144.9 Å²	144.9	77%	0.769	81%	0.813	S	S	*	*			trans	-112.7	99	176.2	65	0	0	0	0	110.8	R12	S10-R12 PolarHBondContact O-N 2.94Å
11	D	24.7	Very low	24.8	Very low	146 Å²	146	144 Å²	144	78%	0.781	82%	0.817	S	S	*	*			trans	-65.7	128.8	174.4	-73.4	-48.9	0	0	0	111.7
12	R	25.1	Very low	24.7	Very low	238 Å²	238	142 Å²	142	90%	0.898	81%	0.805	S	S	*	*			trans	-134.5	97.8	162.4	-91	-167.8	168.3	-167.2	-2.6	110.2	S10 V14	S10-R12 PolarHBondContact O-N 2.94Å; R12-V14 PolarHBondContact O-N 3.47Å
13	V	23.9	Very low	24.7	Very low	138 Å²	138	145.6 Å²	145.6	84%	0.836	81%	0.805	S	S	*	*			trans	-70.1	120.2	171.9	178	0	0	0	0	109.9
14	V	25.1	Very low	24.8	Very low	129 Å²	129	143.9 Å²	143.9	78%	0.782	79%	0.794	S	S	*	*			trans	-137.8	145.3	160.7	-175.5	0	0	0	0	109.1	R12	R12-V14 PolarHBondContact O-N 3.47Å
15	Y	24.9	Very low	25	Very low	220 Å²	220	147.8 Å²	147.8	86%	0.863	80%	0.796	S	S	*	*			trans	-64	153.6	-166	-74.4	-101.8	0	0	0	116.3
16	H	22.7	Very low	24.9	Very low	192 Å²	192	147.2 Å²	147.2	89%	0.889	79%	0.792	S	S	*	*			trans	-73.4	137.6	160.2	-83.4	25.6	0	0	0	112
17	S	24.5	Very low	26.1	Very low	119 Å²	119	147.3 Å²	147.3	83%	0.832	79%	0.79	S	S	*	*			trans	-164.3	124.4	154.3	60.3	0	0	0	0	113.8
18	G	24.5	Very low	26.2	Very low	73 Å²	73	148.4 Å²	148.4	75%	0.753	79%	0.792	S	S	*	*			trans	85.4	99.1	140.4	0	0	0	0	0	121
19	K	26.6	Very low	26.3	Very low	166 Å²	166	146.9 Å²	146.9	72%	0.722	79%	0.785	S	S	*	*				52.8	130.2	129	-87.4	175.4	159.5	-95.1	0	122.8
20	E	25.8	Very low	26.5	Very low	144 Å²	144	146 Å²	146	67%	0.673	79%	0.786	S	S	*	*			trans	58	113.6	131.2	-66.2	159.4	-178	0	0	120.3
21	S	25.8	Very low	26.5	Very low	127 Å²	127	147.6 Å²	147.6	89%	0.888	79%	0.786	S	S	*	*				173.3	169.9	96.9	40	0	0	0	0	112
22	E	26.5	Very low	26.6	Very low	186 Å²	186	146.2 Å²	146.2	87%	0.869	78%	0.783	S	S	*	*			trans	-80.6	153.9	-179	-59.3	159.1	123.9	0	0	111.5
23	D	25.9	Very low	26.7	Very low	155 Å²	155	142 Å²	142	83%	0.829	78%	0.784	S	S	*	*				-170.4	-167.7	99	-141.4	-38.6	0	0	0	111.2
24	S	26.1	Very low	26.9	Very low	82 Å²	82	143.9 Å²	143.9	57%	0.573	78%	0.783	S	S	*	*			trans	-135.3	-176.6	-145.8	59.8	0	0	0	0	115.5
25	H	26.9	Very low	27	Very low	178 Å²	178	147.2 Å²	147.2	82%	0.824	79%	0.79	S	S	*	*			trans	95	133.2	166.5	-68.8	-77.3	0	0	0	122.1
26	S	23.3	Very low	27.2	Very low	106 Å²	106	145.9 Å²	145.9	74%	0.741	79%	0.792	S	S	*	*			trans	-129.8	-172.6	159.1	-34.7	0	0	0	0	106.2
27	P	49.4	Very low	27.3	Very low	114 Å²	114	140.5 Å²	140.5	74%	0.74	79%	0.788	S	S	*	*			cis	-135.4	-146.6	-9.9	31.7	-6.4	0	0	0	111.7
28	Q	26.9	Very low	27.3	Very low	173 Å²	173	142.4 Å²	142.4	81%	0.808	79%	0.789	S	S	*	*			trans	81.7	162	162.9	-62.4	-174.7	-11.6	0	0	119.5
29	Q	26.3	Very low	28.7	Very low	153 Å²	153	143.9 Å²	143.9	72%	0.715	79%	0.786	S	S	*	*			cis	-171.5	151.8	-48.5	-149.3	177.1	13.4	0	0	109.6
30	T	26.6	Very low	28.7	Very low	117 Å²	117	140.4 Å²	140.4	72%	0.718	79%	0.787	S	S	*	*			trans	67	167.3	169.9	80.3	0	0	0	0	115.5
31	N	25.9	Very low	28.8	Very low	144 Å²	144	139.3 Å²	139.3	77%	0.77	80%	0.796	S	S	*	*			cis	-149.1	176	5.8	-143.9	-13.6	0	0	0	113.8
32	T	26.8	Very low	28.8	Very low	116 Å²	116	137 Å²	137	71%	0.712	79%	0.792	S	S	*	*			trans	-78.3	161	-174.3	55.6	0	0	0	0	116.7
33	T	26.9	Very low	28.7	Very low	150 Å²	150	136.3 Å²	136.3	92%	0.92	79%	0.794	S	S	*	*			trans	-160.4	160.4	133	6.7	0	0	0	0	112.3
34	Q	27	Very low	29.5	Very low	178 Å²	178	134 Å²	134	83%	0.832	79%	0.787	S	S	*	*			trans	-112.2	163.9	178.5	-62	173.6	-26.3	0	0	110.8
35	H	27.8	Very low	29.4	Very low	198 Å²	198	138.1 Å²	138.1	92%	0.917	80%	0.802	S	S	*	*			trans	-161.9	159.4	134.9	-110.3	-72.2	0	0	0	112.5
36	Q	28.1	Very low	29.2	Very low	192 Å²	192	138.8 Å²	138.8	90%	0.897	80%	0.802	S	S	*	*			trans	-108	156.7	-177.3	-62.9	173.8	-23.1	0	0	112.2
37	G	25.1	Very low	30.5	Very low	80 Å²	80	139.2 Å²	139.2	83%	0.825	80%	0.803	S	S	*	*			trans	-179.7	131.4	167.5	0	0	0	0	0	113.8
38	N	25.6	Very low	30	Very low	159 Å²	159	138.8 Å²	138.8	85%	0.85	80%	0.799	S	S	*	*			trans	-166.8	169	-175.6	-140.7	3.7	0	0	0	108.1
39	P	53.2	Low	29.9	Very low	104 Å²	104	135.3 Å²	135.3	68%	0.675	79%	0.794	S	S	*	*			cis	-133.8	-155.7	-17.1	42.3	-24	0	0	0	113
40	A	27.5	Very low	29.7	Very low	92 Å²	92	133.9 Å²	133.9	76%	0.76	80%	0.8	S	S	*	*			trans	78.7	148.1	158.6	0	0	0	0	0	118.8
41	S	28.4	Very low	29.7	Very low	122 Å²	122	136.4 Å²	136.4	85%	0.853	80%	0.801	S	S	*	*			cis	-171.4	152.2	-13.6	49.2	0	0	0	0	111.5
42	G	25.3	Very low	29.7	Very low	78 Å²	78	136.2 Å²	136.2	80%	0.804	80%	0.796	S	S	*	*			trans	158.6	131.1	162.2	0	0	0	0	0	118.3
43	L	24.5	Very low	29.7	Very low	172 Å²	172	136.9 Å²	136.9	90%	0.901	81%	0.805	S	S	*	*			trans	-115	-176.6	164.3	-77.5	167	0	0	0	107.7
44	P	41.1	Very low	29.5	Very low	106 Å²	106	132.8 Å²	132.8	69%	0.688	79%	0.792	S	S	*	*			cis	-147.7	-175.9	11.9	44.5	-23.7	0	0	0	119.3
45	L	25.2	Very low	29.5	Very low	169 Å²	169	132.2 Å²	132.2	89%	0.885	79%	0.79	S	S	*	*			trans	85.1	169	149.2	-78.2	162	0	0	0	123.6
46	K	23.3	Very low	29.4	Very low	191 Å²	191	131.5 Å²	131.5	83%	0.83	78%	0.784	S	S	*	*			trans	-143.9	177.2	-157.4	-93.4	-173.1	175.7	-176.7	0	111.7
47	P	49	Very low	29.2	Very low	116 Å²	116	131 Å²	131	75%	0.753	78%	0.779	S	S	*	*			cis	-120.6	-102.6	-25.3	32	-8.1	0	0	0	111.8
48	P	39.3	Very low	29.1	Very low	104 Å²	104	134 Å²	134	68%	0.675	78%	0.775	S	S	*	*			cis	-133.2	153	-14.6	42	-23.3	0	0	0	119.2
49	S	24.9	Very low	29.5	Very low	100 Å²	100	132 Å²	132	70%	0.699	77%	0.77	S	S	*	*			trans	42	117.5	142.6	67.2	0	0	0	0	127.9
50	C	23.1	Very low	28.1	Very low	124 Å²	124	132.1 Å²	132.1	84%	0.838	77%	0.773	S	S	*	*				78.1	152.5	117.3	-62.4	0	0	0	0	127
51	K	25.4	Very low	27.9	Very low	169 Å²	169	135.2 Å²	135.2	74%	0.735	78%	0.777	S	S	*	*			trans	77	153.7	157.9	-74.9	178.1	168.4	-77.8	0	119.3
52	E	26.1	Very low	27.8	Very low	141 Å²	141	134.9 Å²	134.9	66%	0.659	78%	0.775	S	S	*	*			cis	-169	150.4	-17.9	-120.2	162.9	-171.6	0	0	113.8
53	S	26.4	Very low	27.8	Very low	129 Å²	129	135 Å²	135	90%	0.902	78%	0.777	S	S	*	*			trans	63	165.5	159.3	75.9	0	0	0	0	120.2
54	G	24.2	Very low	27.9	Very low	64 Å²	64	135.4 Å²	135.4	66%	0.66	77%	0.773	S	S	*	*			cis	164.4	169.1	-10.7	0	0	0	0	0	114.5
55	Q	25.3	Very low	27.1	Very low	167 Å²	167	136.5 Å²	136.5	78%	0.78	77%	0.774	S	S	*	*			trans	78.8	154.7	170.8	-50.5	-174.2	35.7	0	0	117.6
56	K	25.8	Very low	27	Very low	183 Å²	183	139.3 Å²	139.3	80%	0.796	77%	0.772	S	S	*	*			cis	-159.1	164.5	-3.1	-125.6	167.7	-169.6	156.4	0	114.7
57	K	24.1	Very low	27.1	Very low	182 Å²	182	139.9 Å²	139.9	79%	0.791	78%	0.775	S	S	*	*			trans	-48.6	149.6	-177.7	-70.7	179.8	170.9	-174.6	0	123
58	I	23.2	Very low	25.9	Very low	143 Å²	143	143.7 Å²	143.7	73%	0.733	78%	0.783	S	S	*	*				46.7	131.5	121.1	-54.5	169	0	0	0	118.2
59	P	34.4	Very low	25.3	Very low	116 Å²	116	147.6 Å²	147.6	75%	0.753	79%	0.792	S	S	*	*				-145.1	-168.4	57.1	20.6	7.4	0	0	0	116.7
60	S	22.8	Very low	25.3	Very low	106 Å²	106	151.3 Å²	151.3	74%	0.741	80%	0.798	S	S	*	*			cis	-176.2	142.1	-42	63.3	0	0	0	0	114.8
61	D	25	Very low	25.3	Very low	157 Å²	157	151.3 Å²	151.3	84%	0.84	80%	0.8	S	S	*	*			trans	74.9	152.8	147.9	-150.9	19.2	0	0	0	124.6
62	S	25.4	Very low	25.3	Very low	115 Å²	115	147 Å²	147	80%	0.804	80%	0.803	S	S	*	*			trans	80	148.1	165	79.5	0	0	0	0	121.4
63	G	25.2	Very low	25.4	Very low	82 Å²	82	149.6 Å²	149.6	85%	0.845	82%	0.815	S	S	*	*			trans	133.3	107.9	160.8	0	0	0	0	0	117.5
64	H	26.6	Very low	25.4	Very low	180 Å²	180	150.2 Å²	150.2	83%	0.833	81%	0.814	S	S	*	*			trans	-89.7	134.4	-172.9	-125.8	29.2	0	0	0	115.2
65	N	24	Very low	25.6	Very low	129 Å²	129	154 Å²	154	69%	0.69	82%	0.824	S	S	*	*			trans	74.2	137.6	139.1	-95.4	-50.4	0	0	0	124.7
66	R	24.5	Very low	25.9	Very low	227 Å²	227	151 Å²	151	86%	0.857	82%	0.821	S	S	*	*			trans	95.6	131.6	143.6	-84.1	179.9	169.7	179.9	-2.5	122.7
67	K	24.8	Very low	26.2	Very low	204 Å²	204	145.8 Å²	145.8	89%	0.887	82%	0.82	S	S	*	*			trans	77.9	102.4	160.8	-68.2	-173.7	175	-172.7	0	117.9
68	E	24.4	Very low	26.7	Very low	196 Å²	196	146.3 Å²	146.3	92%	0.916	82%	0.822	S	S	*	*			trans	-86.1	132.3	163	-59.2	168.6	112.7	0	0	110.9
69	Q	25.1	Very low	27.7	Very low	185 Å²	185	144.3 Å²	144.3	86%	0.864	82%	0.816	S	S	*	*			trans	-157.8	109.1	143.9	-139.9	168.9	1.5	0	0	110.2
70	Q	25.2	Very low	28.1	Very low	179 Å²	179	144.7 Å²	144.7	84%	0.836	82%	0.817	S	S	*	*			trans	23.4	120.8	160.5	-63.5	173.2	-12.3	0	0	117.5
71	S	23.7	Very low	29.9	Very low	124 Å²	124	144 Å²	144	87%	0.867	80%	0.804	S	S	*	*				-176.4	158.7	58.1	41.4	0	0	0	0	112.5
72	G	25.7	Very low	31.9	Very low	78 Å²	78	140.5 Å²	140.5	80%	0.804	79%	0.789	S	S	*	*			trans	103.6	71	160.8	0	0	0	0	0	117.2
73	E	27.1	Very low	34.5	Very low	196 Å²	196	138.9 Å²	138.9	92%	0.916	77%	0.769	S	S	*	*			trans	-125	147.1	155.1	-84	-161	143.4	0	0	111.3
74	T	27.8	Very low	37	Very low	142 Å²	142	135.2 Å²	135.2	87%	0.871	73%	0.73	S	S	*	*			trans	-71.1	123.4	-179.3	38	0	0	0	0	111	S76	T74-S76 PolarHBondContact O-N 2.78Å
75	T	27.6	Very low	39.5	Very low	143 Å²	143	132.8 Å²	132.8	88%	0.877	72%	0.719	S	S	*	*			trans	-66.2	108.5	174.5	41.1	0	0	0	0	111
76	S	31.8	Very low	42.2	Very low	104 Å²	104	129.3 Å²	129.3	73%	0.727	70%	0.698	S	S	*	*			trans	-58	143.6	160.4	52.6	0	0	0	0	110.3	T74 K78	T74-S76 PolarHBondContact O-N 2.78Å; S76-K78 PolarHBondContact O-N 2.91Å
77	G	31.4	Very low	44.8	Very low	74 Å²	74	121 Å²	121	76%	0.763	68%	0.683	S	S	*	*			trans	-64.9	106.3	-177.6	0	0	0	0	0	111.4	T79	G77-T79 PolarHBondContact O-N 2.96Å; G77-T79 VanDerWaalsContact O-N 3.09Å
78	K	35.2	Very low	47.3	Very low	193 Å²	193	117.6 Å²	117.6	84%	0.839	68%	0.681	S	S	*	*			trans	-67.5	104.9	170.8	-75.3	-175.4	176.1	-180	0	109.4	S76 T80	S76-K78 PolarHBondContact O-N 2.91Å; K78-T80 PolarHBondContact O-N 3.42Å
79	T	43.1	Very low	50	Low	100 Å²	100	111.5 Å²	111.5	61%	0.613	65%	0.654	S	S	*	*			trans	-58.9	109.8	169.2	-46.5	0	0	0	0	109.3	G77 L81 P95	G77-T79 PolarHBondContact O-N 2.96Å; G77-T79 VanDerWaalsContact O-N 3.09Å; T79-L81 PolarHBondContact O-N 2.89Å; T79-P95 HydrophobicContact CG2-CG 4.32Å
80	T	44.8	Very low	52.7	Low	125 Å²	125	108.5 Å²	108.5	77%	0.767	64%	0.638	S	S	*	*			trans	-74.4	95.5	179.1	48.3	0	0	0	0	110.1	K78 T82	K78-T80 PolarHBondContact O-N 3.42Å; T80-T82 PolarHBondContact O-N 2.73Å
81	L	60.6	Low	55.4	Low	90 Å²	90	101.3 Å²	101.3	47%	0.471	61%	0.605	S	S	.	*	P	Polyproline II helix	trans	-55.2	130.1	170.3	-69.8	169.9	0	0	0	109.7	T79 E83 F92 K93	T79-L81 PolarHBondContact O-N 2.89Å; L81-E83 PolarHBondContact O-N 3.13Å; L81-F92 HydrophobicContact CB-CB 4.4Å; L81-F92 HydrophobicContact CB-CD1 4.41Å; L81-F92 HydrophobicContact CD1-CB 4.39Å; L81-K93 WeakPolarHBondContact CD2-O 3.18Å
82	T	66.7	Low	58.1	Low	84 Å²	84	101.2 Å²	101.2	52%	0.515	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.1	120	-179	-58.2	0	0	0	0	109.7	T80 K93	T80-T82 PolarHBondContact O-N 2.73Å; T82-K93 PolarHBondContact N-O 2.94Å; T82-K93 WeakPolarHBondContact O-CB 3.38Å; T82-K93 PolarHBondContact O-N 3.44Å
83	E	78.4	Confident	60.3	Low	82 Å²	82	98.8 Å²	98.8	38%	0.383	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-77.9	128.4	176.1	-159.8	-168	115.5	0	0	110.6	L81 K90 L91 F92	L81-E83 PolarHBondContact O-N 3.13Å; E83-K90 HydrophobicContact CG-CB 4.42Å; E83-K90 WeakPolarHBondContact OE1-CG 3.34Å; E83-K90 IonicContact OE1-NZ 2.69Å; E83-K90 PolarHBondContact OE1-NZ 3.39Å; E83-K90 IonicContact OE2-NZ 2.72Å; E83-K90 PolarHBondContact OE2-NZ 2.84Å; E83-L91 WeakPolarHBondContact CA-O 3.35Å; E83-F92 HydrophobicContact CB-CE1 4.38Å; E83-F92 HydrophobicContact CG-CD1 4.4Å; E83-F92 HydrophobicContact CG-CE1 4.01Å
84	V	79.6	Confident	62.7	Low	5 Å²	5	94.5 Å²	94.5	3%	0.03	54%	0.54	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	113.2	173.9	177.4	0	0	0	0	108.5	L91 F225	V84-L91 HydrophobicContact CB-CB 4.41Å; V84-L91 PolarHBondContact N-O 2.84Å; V84-L91 WeakPolarHBondContact O-CB 3.46Å; V84-L91 PolarHBondContact O-N 3.39Å; V84-F225 HydrophobicContact CB-CD1 4.42Å; V84-F225 HydrophobicContact CB-CE1 4.1Å; V84-F225 HydrophobicContact CG1-CD1 4.35Å; V84-F225 HydrophobicContact CG1-CE1 4.47Å; V84-F225 HydrophobicContact CG2-CE1 4.31Å
85	Q	78.8	Confident	65.3	Low	129 Å²	129	89.2 Å²	89.2	60%	0.603	51%	0.508	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	136.5	174.9	-171.7	173.3	2.4	0	0	111.6	G87	Q85-G87 WeakPolarHBondContact CG-O 3.47Å; Q85-G87 PolarHBondContact NE2-O 3.25Å
86	F	80.3	Confident	68.2	Low	56 Å²	56	82.4 Å²	82.4	25%	0.246	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	94.1	172.4	-177.8	-127.6	0	0	0	109.1	M89 L91 K226 A229 S230 I233	F86-M89 PolarHBondContact N-O 2.85Å; F86-M89 WeakPolarHBondContact O-CB 3.36Å; F86-M89 PolarHBondContact O-N 3.1Å; F86-L91 HydrophobicContact CB-CD1 4.03Å; F86-K226 HydrophobicContact CD2-CB 4.25Å; F86-K226 HydrophobicContact CD2-CD 4.2Å; F86-K226 HydrophobicContact CD2-CG 4.06Å; F86-K226 HydrophobicContact CE2-CB 4.32Å; F86-K226 HydrophobicContact CG-CG 4.48Å; F86-A229 HydrophobicContact CD1-CB 4.02Å; F86-A229 HydrophobicContact CE1-CB 4.35Å; F86-S230 WeakPolarHBondContact CZ-OG 3.17Å; F86-I233 HydrophobicContact CD1-CD1 4.14Å; F86-I233 HydrophobicContact CE1-CD1 3.68Å
87	G	77.9	Confident	71.1	Confident	52 Å²	52	79.7 Å²	79.7	54%	0.536	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	-127.7	-167.6	0	0	0	0	0	110.8	Q85 M89	Q85-G87 WeakPolarHBondContact CG-O 3.47Å; Q85-G87 PolarHBondContact NE2-O 3.25Å; G87-M89 VanDerWaalsContact C-N 3.34Å
88	P	78.3	Confident	74.1	Confident	133 Å²	133	76.2 Å²	76.2	86%	0.864	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-12.4	171.7	34.1	-35	0	0	0	113.6
89	M	80.7	Confident	77	Confident	67 Å²	67	67 Å²	67	33%	0.33	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	127.4	-177.6	-175.1	178.3	-87.2	0	0	110.8	F86 G87 L91 A229 I233	F86-M89 PolarHBondContact N-O 2.85Å; F86-M89 WeakPolarHBondContact O-CB 3.36Å; F86-M89 PolarHBondContact O-N 3.1Å; G87-M89 VanDerWaalsContact C-N 3.34Å; M89-L91 HydrophobicContact CG-CD2 4Å; M89-L91 HydrophobicContact CG-CG 4.25Å; M89-L91 HydrophobicContact SD-CD2 3.64Å; M89-L91 HydrophobicContact SD-CG 4.32Å; M89-A229 HydrophobicContact SD-CB 4.29Å; M89-I233 HydrophobicContact CE-CG1 4.44Å
90	K	82.2	Confident	79.5	Confident	123 Å²	123	62.2 Å²	62.2	54%	0.535	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	118.2	168.5	-68.7	177.9	165.7	-79.4	0	109	E83	E83-K90 HydrophobicContact CG-CB 4.42Å; E83-K90 WeakPolarHBondContact OE1-CG 3.34Å; E83-K90 IonicContact OE1-NZ 2.69Å; E83-K90 PolarHBondContact OE1-NZ 3.39Å; E83-K90 IonicContact OE2-NZ 2.72Å; E83-K90 PolarHBondContact OE2-NZ 2.84Å
91	L	82.2	Confident	81.9	Confident	27 Å²	27	56.3 Å²	56.3	14%	0.141	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	136.6	173.9	-58.7	165.8	0	0	0	109	E83 V84 F86 M89 F225 A229	E83-L91 WeakPolarHBondContact CA-O 3.35Å; V84-L91 HydrophobicContact CB-CB 4.41Å; V84-L91 PolarHBondContact N-O 2.84Å; V84-L91 WeakPolarHBondContact O-CB 3.46Å; V84-L91 PolarHBondContact O-N 3.39Å; F86-L91 HydrophobicContact CB-CD1 4.03Å; M89-L91 HydrophobicContact CG-CD2 4Å; M89-L91 HydrophobicContact CG-CG 4.25Å; M89-L91 HydrophobicContact SD-CD2 3.64Å; M89-L91 HydrophobicContact SD-CG 4.32Å; L91-F225 HydrophobicContact CB-CE1 3.56Å; L91-F225 HydrophobicContact CB-CZ 3.86Å; L91-F225 HydrophobicContact CD1-CD1 4.2Å; L91-F225 HydrophobicContact CD1-CE1 3.87Å; L91-F225 HydrophobicContact CD1-CZ 4.5Å; L91-F225 HydrophobicContact CG-CE1 4.31Å; L91-A229 HydrophobicContact CD1-CB 3.56Å; L91-A229 HydrophobicContact CD2-CB 3.88Å; L91-A229 HydrophobicContact CG-CB 4.34Å
92	F	80.3	Confident	83.5	Confident	123 Å²	123	52.1 Å²	52.1	54%	0.539	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	126.8	174	-62.7	-77.9	0	0	0	109.2	L81 E83	L81-F92 HydrophobicContact CB-CB 4.4Å; L81-F92 HydrophobicContact CB-CD1 4.41Å; L81-F92 HydrophobicContact CD1-CB 4.39Å; E83-F92 HydrophobicContact CB-CE1 4.38Å; E83-F92 HydrophobicContact CG-CD1 4.4Å; E83-F92 HydrophobicContact CG-CE1 4.01Å
93	K	71.6	Confident	84.5	Confident	27 Å²	27	49.4 Å²	49.4	12%	0.117	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	125.2	-178.3	-163.3	-159	167.8	-178.2	0	110.8	L81 T82 E217 F225	L81-K93 WeakPolarHBondContact CD2-O 3.18Å; T82-K93 PolarHBondContact N-O 2.94Å; T82-K93 WeakPolarHBondContact O-CB 3.38Å; T82-K93 PolarHBondContact O-N 3.44Å; K93-E217 IonicContact NZ-OE1 2.87Å; K93-E217 PolarHBondContact NZ-OE1 2.78Å; K93-F225 HydrophobicContact CB-CE1 4.42Å; K93-F225 HydrophobicContact CB-CZ 4.34Å; K93-F225 HydrophobicContact CG-CZ 4.47Å
94	D	78.2	Confident	84.8	Confident	105 Å²	105	50.9 Å²	50.9	56%	0.561	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-68.3	162.2	166.5	-92.4	-55.9	0	0	0	112.2	L96	D94-L96 PolarHBondContact O-N 3.18Å
95	P	81.9	Confident	85.2	Confident	32 Å²	32	55.9 Å²	55.9	21%	0.208	29%	0.292	C	S	.	.	S	Bend	trans	-56.9	124.7	170.6	-23.4	34.5	0	0	0	111.6	T79 Q97 R122	T79-P95 HydrophobicContact CG2-CG 4.32Å; P95-Q97 PolarHBondContact O-N 3.18Å; P95-R122 HydrophobicContact CB-CG 4.38Å
96	L	88.8	Confident	85.7	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-50.5	130.6	-172.3	-173.6	72.1	0	0	0	112.5	D94 V98 Y121 R122 D142 L143 V221	D94-L96 PolarHBondContact O-N 3.18Å; L96-V98 HydrophobicContact CD2-CG2 3.73Å; L96-V98 HydrophobicContact CG-CG2 3.89Å; L96-Y121 HydrophobicContact CB-CD1 3.74Å; L96-Y121 HydrophobicContact CB-CD2 4.44Å; L96-Y121 HydrophobicContact CB-CE1 4.1Å; L96-Y121 HydrophobicContact CB-CG 3.94Å; L96-Y121 HydrophobicContact CD2-CD1 4.35Å; L96-Y121 HydrophobicContact CD2-CD2 3.76Å; L96-Y121 HydrophobicContact CD2-CE1 4.25Å; L96-Y121 HydrophobicContact CD2-CE2 3.65Å; L96-Y121 HydrophobicContact CD2-CG 4.13Å; L96-R122 PolarHBondContact O-N 3.4Å; L96-D142 HydrophobicContact CD1-CB 3.49Å; L96-D142 VanDerWaalsContact CD1-CB 3.49Å; L96-D142 HydrophobicContact CG-CB 4.48Å; L96-L143 HydrophobicContact CD2-CD2 4.37Å; L96-V221 HydrophobicContact CD1-CG1 3.69Å
97	Q	91.7	Very high	86.1	Confident	47 Å²	47	51.7 Å²	51.7	22%	0.22	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	120.3	172.9	-61.5	-151.5	60	0	0	111.2	P95 R122 H140 D142 L143	P95-Q97 PolarHBondContact O-N 3.18Å; Q97-R122 HydrophobicContact CG-CB 4.18Å; Q97-H140 WeakPolarHBondContact CB-O 3.39Å; Q97-H140 PolarHBondContact NE2-O 2.94Å; Q97-D142 PolarHBondContact N-OD2 2.91Å; Q97-D142 PolarHBondContact O-N 3.42Å; Q97-L143 PolarHBondContact O-N 3.29Å
98	V	94.8	Very high	86.7	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.7	-174.4	-171.9	0	0	0	0	110.5	L96 L100 Y121 R122 C123 S124 L143	L96-V98 HydrophobicContact CD2-CG2 3.73Å; L96-V98 HydrophobicContact CG-CG2 3.89Å; V98-L100 HydrophobicContact CG1-CD2 3.75Å; V98-L100 HydrophobicContact CG1-CG 4.32Å; V98-Y121 HydrophobicContact CG2-CD2 4.03Å; V98-Y121 HydrophobicContact CG2-CG 4.42Å; V98-R122 PolarHBondContact N-O 3.02Å; V98-C123 CarbonylContact O-C 3.58Å; V98-C123 WeakPolarHBondContact O-CA 3.25Å; V98-S124 PolarHBondContact O-N 3.03Å; V98-L143 CarbonylContact C-O 3.59Å; V98-L143 VanDerWaalsContact CA-O 3.31Å; V98-L143 WeakPolarHBondContact CA-O 3.33Å; V98-L143 HydrophobicContact CG1-CB 4.45Å; V98-L143 HydrophobicContact CG1-CD2 4.15Å; V98-L143 HydrophobicContact CG1-CG 4.24Å; V98-L143 HydrophobicContact CG2-CB 4.35Å; V98-L143 HydrophobicContact CG2-CD2 4.28Å
99	L	95.8	Very high	87.4	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.7	171	-173.2	62.3	0	0	0	109.8	V101 S124 V126 F136 H141 L143 V144 I145 F163	L99-V101 HydrophobicContact CD2-CG2 4.25Å; L99-V101 HydrophobicContact CG-CG2 4.05Å; L99-S124 WeakPolarHBondContact CA-O 3.43Å; L99-V126 HydrophobicContact CD1-CG1 4.08Å; L99-V126 HydrophobicContact CD1-CG2 3.74Å; L99-V126 HydrophobicContact CG-CG2 4.23Å; L99-F136 HydrophobicContact CD2-CB 4.12Å; L99-F136 HydrophobicContact CD2-CD2 4.14Å; L99-H141 HydrophobicContact CB-CB 4.46Å; L99-L143 PolarHBondContact N-O 2.87Å; L99-V144 HydrophobicContact CB-CB 4.45Å; L99-V144 HydrophobicContact CB-CG1 4.22Å; L99-V144 HydrophobicContact CB-CG2 4.09Å; L99-V144 HydrophobicContact CD2-CG1 4.22Å; L99-V144 HydrophobicContact CD2-CG2 4.42Å; L99-V144 HydrophobicContact CG-CG1 4.44Å; L99-V144 CarbonylContact O-C 3.55Å; L99-V144 WeakPolarHBondContact O-CA 3.48Å; L99-I145 PolarHBondContact O-N 3.14Å; L99-F163 HydrophobicContact CD2-CE1 4.39Å; L99-F163 HydrophobicContact CD2-CZ 3.97Å
100	L	95.8	Very high	87.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	115.3	175.1	-58.6	-174.1	0	0	0	109.2	V98 F102 F112 C113 C123 S124 M125 V126 I145	V98-L100 HydrophobicContact CG1-CD2 3.75Å; V98-L100 HydrophobicContact CG1-CG 4.32Å; L100-F102 HydrophobicContact CB-CD2 4.03Å; L100-F102 HydrophobicContact CB-CE2 4.1Å; L100-F102 HydrophobicContact CD2-CE2 4.45Å; L100-F112 HydrophobicContact CD1-CB 3.82Å; L100-F112 HydrophobicContact CD2-CB 4.07Å; L100-C113 HydrophobicContact CD1-CB 4.47Å; L100-C123 VanDerWaalsContact CD1-SG 3.52Å; L100-S124 PolarHBondContact N-O 3.04Å; L100-M125 HydrophobicContact CB-CE 3.72Å; L100-M125 HydrophobicContact CB-SD 3.68Å; L100-M125 HydrophobicContact CD1-CE 3.64Å; L100-M125 HydrophobicContact CG-CE 4.34Å; L100-M125 WeakPolarHBondContact O-CA 3.16Å; L100-V126 WeakPolarHBondContact O-CG2 3.3Å; L100-V126 PolarHBondContact O-N 3.1Å; L100-I145 HydrophobicContact CD2-CB 3.77Å; L100-I145 HydrophobicContact CD2-CD1 3.85Å; L100-I145 HydrophobicContact CD2-CG1 3.98Å
101	V	95.7	Very high	88.4	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	95.3	-178.9	-167.6	0	0	0	0	110	L99 V126 A132 V144 I145 I146 D147 F154 L159 F163	L99-V101 HydrophobicContact CD2-CG2 4.25Å; L99-V101 HydrophobicContact CG-CG2 4.05Å; V101-V126 WeakPolarHBondContact CA-O 3.36Å; V101-V126 HydrophobicContact CB-CG2 4.14Å; V101-V126 HydrophobicContact CG1-CG2 4.14Å; V101-V126 HydrophobicContact CG2-CG2 3.75Å; V101-A132 HydrophobicContact CG1-CB 4.05Å; V101-A132 HydrophobicContact CG2-CB 4.09Å; V101-V144 HydrophobicContact CG2-CG1 4.27Å; V101-I145 PolarHBondContact N-O 3.48Å; V101-I146 HydrophobicContact CB-CG1 4.47Å; V101-I146 HydrophobicContact CB-CG2 4.39Å; V101-I146 HydrophobicContact CG2-CG1 4.35Å; V101-D147 PolarHBondContact O-N 3.01Å; V101-F154 HydrophobicContact CG1-CE1 4.09Å; V101-F154 HydrophobicContact CG1-CE2 4.42Å; V101-F154 HydrophobicContact CG1-CZ 3.75Å; V101-L159 HydrophobicContact CG1-CD2 3.75Å; V101-F163 HydrophobicContact CG2-CZ 4.4Å
102	F	93.6	Very high	89	Confident	2 Å²	2	36.4 Å²	36.4	1%	0.009	19%	0.188	C	C	.	.			trans	-128.4	115.9	-177.2	-74.4	-97.8	0	0	0	110.9	L100 K104 Q108 F112 M125 V126 R127 I145 D147 V177	L100-F102 HydrophobicContact CB-CD2 4.03Å; L100-F102 HydrophobicContact CB-CE2 4.1Å; L100-F102 HydrophobicContact CD2-CE2 4.45Å; F102-K104 PolarHBondContact O-N 3.47Å; F102-Q108 HydrophobicContact CE1-CG 4.16Å; F102-F112 HydrophobicContact CE2-CD2 4.37Å; F102-F112 AromaticContact CZ-CD2 3.72Å; F102-F112 HydrophobicContact CZ-CD2 3.72Å; F102-F112 HydrophobicContact CZ-CE2 4.29Å; F102-M125 HydrophobicContact CB-SD 4.23Å; F102-M125 HydrophobicContact CD2-CE 4.38Å; F102-M125 HydrophobicContact CD2-SD 4.13Å; F102-V126 PolarHBondContact N-O 3.4Å; F102-R127 WeakPolarHBondContact O-CA 3.49Å; F102-I145 HydrophobicContact CE2-CG2 4.09Å; F102-I145 HydrophobicContact CZ-CG2 4.06Å; F102-D147 HydrophobicContact CD1-CB 3.69Å; F102-D147 HydrophobicContact CE1-CB 4.03Å; F102-D147 HydrophobicContact CG-CB 4.19Å; F102-V177 HydrophobicContact CZ-CG2 4.18Å
103	A	87	Confident	89.6	Confident	27 Å²	27	32.1 Å²	32.1	22%	0.223	17%	0.173	C	C	.	.	S	Bend	trans	-62.4	-27.7	178.2	0	0	0	0	0	113.5	H153 F154	A103-H153 HydrophobicContact CB-CB 3.42Å; A103-H153 VanDerWaalsContact CB-CB 3.42Å; A103-F154 HydrophobicContact CB-CD1 4.04Å; A103-F154 HydrophobicContact CB-CE1 3.71Å
104	K	85.9	Confident	90.7	Very high	114 Å²	114	35.1 Å²	35.1	50%	0.496	18%	0.184	S	C	.	.	S	Bend	trans	-132.1	141	-176.3	-175.7	-175.8	172.6	-167.9	0	110.3	F102	F102-K104 PolarHBondContact O-N 3.47Å
105	E	87.1	Confident	91.4	Very high	109 Å²	109	30.1 Å²	30.1	51%	0.509	16%	0.157	S	C	.	.			trans	-79.3	115.5	169.6	-164.5	173.9	150.7	0	0	109.6	S109 R127	E105-S109 WeakPolarHBondContact CA-OG 3.43Å; E105-R127 IonicContact OE2-CZ 3.16Å; E105-R127 IonicContact OE2-NH1 2.81Å; E105-R127 PolarHBondContact OE2-NH1 3.22Å; E105-R127 IonicContact OE2-NH2 2.71Å; E105-R127 PolarHBondContact OE2-NH2 3.42Å
106	D	89.9	Confident	92	Very high	29 Å²	29	28.6 Å²	28.6	16%	0.155	15%	0.147	C	C	.	.	S	Bend	trans	-149.2	-173.8	-179.8	73	10.5	0	0	0	112.2	Q108 S109 N110 R149	D106-Q108 PolarHBondContact O-N 3.39Å; D106-Q108 WeakPolarHBondContact OD1-CA 3.27Å; D106-Q108 VanDerWaalsContact OD1-CB 3.31Å; D106-Q108 WeakPolarHBondContact OD1-CB 3.37Å; D106-Q108 PolarHBondContact OD1-N 3.22Å; D106-S109 PolarHBondContact N-OG 2.94Å; D106-S109 PolarHBondContact O-N 3.35Å; D106-S109 PolarHBondContact O-OG 3.17Å; D106-S109 VanDerWaalsContact O-OG 3.05Å; D106-S109 PolarHBondContact OD1-N 2.74Å; D106-N110 VanDerWaalsContact O-CB 3.28Å; D106-N110 WeakPolarHBondContact O-CB 3.43Å; D106-N110 PolarHBondContact O-N 2.93Å; D106-N110 PolarHBondContact O-OD1 2.79Å; D106-R149 IonicContact OD1-NH1 3.45Å; D106-R149 IonicContact OD1-NH2 2.57Å; D106-R149 PolarHBondContact OD1-NH2 3.35Å; D106-R149 IonicContact OD2-CZ 3.92Å; D106-R149 VanDerWaalsContact OD2-CZ 3.23Å; D106-R149 IonicContact OD2-NH1 3.91Å; D106-R149 PolarHBondContact OD2-NH1 3.44Å; D106-R149 IonicContact OD2-NH2 2.73Å; D106-R149 PolarHBondContact OD2-NH2 3.06Å
107	S	88.9	Confident	92.2	Very high	68 Å²	68	34.7 Å²	34.7	48%	0.476	18%	0.176	S	C	.	.	H	α-helix	trans	-60.8	-26.2	178.5	45.6	0	0	0	0	113.8	G111	S107-G111 PolarHBondContact O-N 2.73Å
108	Q	91.3	Very high	92.2	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.019	18%	0.184	C	C	.	.	H	α-helix	trans	-84	-42.7	-178.7	-171.2	60.8	87	0	0	111.6	F102 D106 N110 G111 F112 V177 E202 N203 C209	F102-Q108 HydrophobicContact CE1-CG 4.16Å; D106-Q108 PolarHBondContact O-N 3.39Å; D106-Q108 WeakPolarHBondContact OD1-CA 3.27Å; D106-Q108 VanDerWaalsContact OD1-CB 3.31Å; D106-Q108 WeakPolarHBondContact OD1-CB 3.37Å; D106-Q108 PolarHBondContact OD1-N 3.22Å; Q108-N110 VanDerWaalsContact C-N 3.31Å; Q108-G111 PolarHBondContact O-N 2.87Å; Q108-F112 HydrophobicContact CG-CD2 4.45Å; Q108-F112 HydrophobicContact CG-CE2 4.3Å; Q108-F112 WeakPolarHBondContact O-CD2 3.18Å; Q108-F112 PolarHBondContact O-N 3.05Å; Q108-F112 VanDerWaalsContact O-N 3.16Å; Q108-V177 HydrophobicContact CG-CG1 3.89Å; Q108-E202 VanDerWaalsContact OE1-CA 3.31Å; Q108-N203 PolarHBondContact OE1-O 2.73Å; Q108-C209 PolarHBondContact NE2-SG 3.34Å
109	S	92.6	Very high	91.9	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.014	19%	0.192	C	C	.	.	H	α-helix	trans	-62.1	-41.9	172.8	66	0	0	0	0	111.2	E105 D106 F112 C113	E105-S109 WeakPolarHBondContact CA-OG 3.43Å; D106-S109 PolarHBondContact N-OG 2.94Å; D106-S109 PolarHBondContact O-N 3.35Å; D106-S109 PolarHBondContact O-OG 3.17Å; D106-S109 VanDerWaalsContact O-OG 3.05Å; D106-S109 PolarHBondContact OD1-N 2.74Å; S109-F112 PolarHBondContact O-N 2.98Å; S109-C113 PolarHBondContact O-N 2.85Å
110	N	91.4	Very high	91.6	Very high	75 Å²	75	43.7 Å²	43.7	40%	0.401	22%	0.224	S	C	.	.	H	α-helix	trans	-74.2	-31.9	-178.2	-63	4.9	0	0	0	111	D106 Q108 C113 W114	D106-N110 VanDerWaalsContact O-CB 3.28Å; D106-N110 WeakPolarHBondContact O-CB 3.43Å; D106-N110 PolarHBondContact O-N 2.93Å; D106-N110 PolarHBondContact O-OD1 2.79Å; Q108-N110 VanDerWaalsContact C-N 3.31Å; N110-C113 PolarHBondContact O-N 3.15Å; N110-W114 VanDerWaalsContact O-CB 3.31Å; N110-W114 WeakPolarHBondContact O-CB 2.98Å; N110-W114 PolarHBondContact O-N 2.97Å
111	G	92.3	Very high	91.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.6	-44.1	171	0	0	0	0	0	113.4	S107 Q108 A115 C209	S107-G111 PolarHBondContact O-N 2.73Å; Q108-G111 PolarHBondContact O-N 2.87Å; G111-A115 WeakPolarHBondContact O-CB 3.28Å; G111-A115 PolarHBondContact O-N 2.97Å; G111-A115 VanDerWaalsContact O-N 3.08Å; G111-C209 WeakPolarHBondContact O-CB 3.33Å
112	F	94.4	Very high	91.2	Very high	1 Å²	1	50.7 Å²	50.7	0%	0.004	25%	0.25	C	S	.	.	H	α-helix	trans	-71.6	-39	174.6	-78.1	-65.7	0	0	0	113	L100 F102 Q108 S109 A115 C116 I145 V177 Y200 C209 L213	L100-F112 HydrophobicContact CD1-CB 3.82Å; L100-F112 HydrophobicContact CD2-CB 4.07Å; F102-F112 HydrophobicContact CE2-CD2 4.37Å; F102-F112 AromaticContact CZ-CD2 3.72Å; F102-F112 HydrophobicContact CZ-CD2 3.72Å; F102-F112 HydrophobicContact CZ-CE2 4.29Å; Q108-F112 HydrophobicContact CG-CD2 4.45Å; Q108-F112 HydrophobicContact CG-CE2 4.3Å; Q108-F112 WeakPolarHBondContact O-CD2 3.18Å; Q108-F112 PolarHBondContact O-N 3.05Å; Q108-F112 VanDerWaalsContact O-N 3.16Å; S109-F112 PolarHBondContact O-N 2.98Å; F112-A115 PolarHBondContact O-N 3.48Å; F112-C116 PolarHBondContact O-N 2.79Å; F112-C116 PolarHBondContact O-SG 3.19Å; F112-C116 VanDerWaalsContact O-SG 3.36Å; F112-I145 HydrophobicContact CD1-CD1 3.66Å; F112-I145 HydrophobicContact CD2-CG2 4.37Å; F112-I145 HydrophobicContact CE1-CD1 3.71Å; F112-I145 HydrophobicContact CE2-CG2 4.23Å; F112-I145 HydrophobicContact CG-CD1 4.22Å; F112-I145 HydrophobicContact CZ-CD1 4.28Å; F112-I145 HydrophobicContact CZ-CG2 4.47Å; F112-V177 HydrophobicContact CE2-CG2 3.8Å; F112-V177 HydrophobicContact CZ-CG2 4.35Å; F112-Y200 HydrophobicContact CE2-CD1 4.03Å; F112-Y200 AromaticContact CE2-CE1 3.94Å; F112-Y200 HydrophobicContact CE2-CE1 3.94Å; F112-Y200 AromaticContact CZ-CD1 3.7Å; F112-Y200 HydrophobicContact CZ-CD1 3.7Å; F112-Y200 AromaticContact CZ-CE1 3.64Å; F112-Y200 HydrophobicContact CZ-CE1 3.64Å; F112-Y200 HydrophobicContact CZ-CG 4.17Å; F112-C209 HydrophobicContact CD1-CB 4Å; F112-C209 HydrophobicContact CE1-CB 4.08Å; F112-C209 HydrophobicContact CG-CB 4.37Å; F112-L213 HydrophobicContact CD1-CD1 4.38Å; F112-L213 HydrophobicContact CD1-CD2 4.3Å; F112-L213 HydrophobicContact CD1-CG 4.15Å; F112-L213 HydrophobicContact CE1-CD2 4.49Å; F112-L213 HydrophobicContact CE1-CG 4.4Å
113	C	93.2	Very high	91.2	Very high	33 Å²	33	52.7 Å²	52.7	22%	0.223	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-52.1	176.7	-162.5	0	0	0	0	111.6	L100 S109 N110 A115 C116 E117 M125	L100-C113 HydrophobicContact CD1-CB 4.47Å; S109-C113 PolarHBondContact O-N 2.85Å; N110-C113 PolarHBondContact O-N 3.15Å; C113-A115 VanDerWaalsContact C-N 3.27Å; C113-A115 PolarHBondContact O-N 3.3Å; C113-C116 PolarHBondContact O-N 3.42Å; C113-E117 WeakPolarHBondContact O-CG 3.33Å; C113-E117 PolarHBondContact O-N 2.93Å; C113-E117 PolarHBondContact SG-OE1 3Å; C113-M125 HydrophobicContact CB-CE 4.26Å
114	W	94.4	Very high	91.5	Very high	90 Å²	90	52.3 Å²	52.3	34%	0.341	26%	0.26	S	S	.	.	H	α-helix	trans	-58.7	-37.9	175.2	175.3	83.1	0	0	0	112.6	N110 E117 K118 L206 M207	N110-W114 VanDerWaalsContact O-CB 3.31Å; N110-W114 WeakPolarHBondContact O-CB 2.98Å; N110-W114 PolarHBondContact O-N 2.97Å; W114-E117 PolarHBondContact O-N 2.8Å; W114-K118 HydrophobicContact CH2-CD 3.56Å; W114-K118 HydrophobicContact CZ2-CD 3.76Å; W114-K118 HydrophobicContact CZ3-CD 3.99Å; W114-K118 VanDerWaalsContact O-CB 3.26Å; W114-K118 WeakPolarHBondContact O-CB 3.43Å; W114-K118 PolarHBondContact O-N 2.82Å; W114-L206 HydrophobicContact CD2-CB 4.49Å; W114-L206 HydrophobicContact CE3-CB 3.82Å; W114-L206 HydrophobicContact CH2-CB 4.33Å; W114-L206 HydrophobicContact CZ3-CB 3.74Å; W114-M207 HydrophobicContact CH2-SD 4.44Å
115	A	93.4	Very high	91.8	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-67.8	-39.2	178	0	0	0	0	0	112.4	G111 F112 C113 A119 C209 Y210 L213	G111-A115 WeakPolarHBondContact O-CB 3.28Å; G111-A115 PolarHBondContact O-N 2.97Å; G111-A115 VanDerWaalsContact O-N 3.08Å; F112-A115 PolarHBondContact O-N 3.48Å; C113-A115 VanDerWaalsContact C-N 3.27Å; C113-A115 PolarHBondContact O-N 3.3Å; A115-A119 VanDerWaalsContact O-CB 3.3Å; A115-A119 WeakPolarHBondContact O-CB 3.26Å; A115-A119 PolarHBondContact O-N 3.24Å; A115-C209 HydrophobicContact CB-CB 4.14Å; A115-Y210 HydrophobicContact CB-CD2 4.38Å; A115-L213 HydrophobicContact CB-CD1 3.64Å
116	C	94	Very high	92.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-64.5	-44.8	172.2	-69.1	0	0	0	0	112.1	F112 C113 A119 N120 Y121 C123 L213	F112-C116 PolarHBondContact O-N 2.79Å; F112-C116 PolarHBondContact O-SG 3.19Å; F112-C116 VanDerWaalsContact O-SG 3.36Å; C113-C116 PolarHBondContact O-N 3.42Å; C116-A119 CarbonylContact O-C 3.57Å; C116-A119 PolarHBondContact O-N 3Å; C116-N120 PolarHBondContact O-N 2.82Å; C116-N120 VanDerWaalsContact O-N 3.09Å; C116-Y121 PolarHBondContact O-N 3.04Å; C116-C123 HydrophobicContact CB-CB 3.81Å; C116-L213 VanDerWaalsContact SG-CD1 3.59Å
117	E	92.7	Very high	92.1	Very high	128 Å²	128	50.2 Å²	50.2	60%	0.598	25%	0.247	S	C	*	.	H	α-helix	trans	-58.4	-49.4	176	-71.9	164.4	-152.4	0	0	111.2	C113 W114 A119 N120	C113-E117 WeakPolarHBondContact O-CG 3.33Å; C113-E117 PolarHBondContact O-N 2.93Å; C113-E117 PolarHBondContact SG-OE1 3Å; W114-E117 PolarHBondContact O-N 2.8Å; E117-A119 VanDerWaalsContact C-N 3.29Å; E117-A119 PolarHBondContact O-N 2.78Å; E117-N120 PolarHBondContact O-N 3.18Å
118	K	91.4	Very high	92.1	Very high	90 Å²	90	49.3 Å²	49.3	39%	0.391	24%	0.239	S	C	.	.	H	α-helix	trans	-62.9	-32.8	178.6	-176.4	-177.2	167.6	-152.5	0	113	W114 N120 M207 Y210	W114-K118 HydrophobicContact CH2-CD 3.56Å; W114-K118 HydrophobicContact CZ2-CD 3.76Å; W114-K118 HydrophobicContact CZ3-CD 3.99Å; W114-K118 VanDerWaalsContact O-CB 3.26Å; W114-K118 WeakPolarHBondContact O-CB 3.43Å; W114-K118 PolarHBondContact O-N 2.82Å; K118-N120 VanDerWaalsContact C-N 3.31Å; K118-M207 PolarHBondContact NZ-SD 3.09Å; K118-Y210 HydrophobicContact CB-CD2 4.16Å; K118-Y210 HydrophobicContact CB-CE2 4.01Å; K118-Y210 HydrophobicContact CD-CD2 3.66Å; K118-Y210 HydrophobicContact CD-CE1 4.48Å; K118-Y210 HydrophobicContact CD-CE2 3.58Å; K118-Y210 HydrophobicContact CD-CG 4.16Å; K118-Y210 HydrophobicContact CG-CD2 4.04Å; K118-Y210 HydrophobicContact CG-CE2 3.6Å; K118-Y210 VanDerWaalsContact NZ-CD1 3.26Å
119	A	88.2	Confident	92.1	Very high	21 Å²	21	50.6 Å²	50.6	17%	0.174	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-0.2	175.9	0	0	0	0	0	113.7	A115 C116 E117 Y121 Y210	A115-A119 VanDerWaalsContact O-CB 3.3Å; A115-A119 WeakPolarHBondContact O-CB 3.26Å; A115-A119 PolarHBondContact O-N 3.24Å; C116-A119 CarbonylContact O-C 3.57Å; C116-A119 PolarHBondContact O-N 3Å; E117-A119 VanDerWaalsContact C-N 3.29Å; E117-A119 PolarHBondContact O-N 2.78Å; A119-Y121 VanDerWaalsContact C-N 3.26Å; A119-Y121 HydrophobicContact CB-CD1 3.82Å; A119-Y121 HydrophobicContact CB-CD2 3.78Å; A119-Y121 HydrophobicContact CB-CE1 3.66Å; A119-Y121 HydrophobicContact CB-CE2 3.61Å; A119-Y121 HydrophobicContact CB-CG 3.88Å; A119-Y121 VanDerWaalsContact O-CD1 3.3Å; A119-Y121 WeakPolarHBondContact O-CD1 3.48Å; A119-Y121 PolarHBondContact O-N 3.24Å; A119-Y210 HydrophobicContact CB-CE2 4.1Å
120	N	89.9	Confident	92	Very high	125 Å²	125	56.5 Å²	56.5	67%	0.668	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	35.7	-175.2	-166.9	40.7	0	0	0	113.5	C116 E117 K118	C116-N120 PolarHBondContact O-N 2.82Å; C116-N120 VanDerWaalsContact O-N 3.09Å; E117-N120 PolarHBondContact O-N 3.18Å; K118-N120 VanDerWaalsContact C-N 3.31Å
121	Y	92.3	Very high	91.9	Very high	21 Å²	21	60 Å²	60	8%	0.082	28%	0.283	C	S	.	.			trans	-87.4	151	176.3	-60.8	-18	0	0	0	111.7	L96 V98 C116 A119 C123 L213 E217	L96-Y121 HydrophobicContact CB-CD1 3.74Å; L96-Y121 HydrophobicContact CB-CD2 4.44Å; L96-Y121 HydrophobicContact CB-CE1 4.1Å; L96-Y121 HydrophobicContact CB-CG 3.94Å; L96-Y121 HydrophobicContact CD2-CD1 4.35Å; L96-Y121 HydrophobicContact CD2-CD2 3.76Å; L96-Y121 HydrophobicContact CD2-CE1 4.25Å; L96-Y121 HydrophobicContact CD2-CE2 3.65Å; L96-Y121 HydrophobicContact CD2-CG 4.13Å; V98-Y121 HydrophobicContact CG2-CD2 4.03Å; V98-Y121 HydrophobicContact CG2-CG 4.42Å; C116-Y121 PolarHBondContact O-N 3.04Å; A119-Y121 VanDerWaalsContact C-N 3.26Å; A119-Y121 HydrophobicContact CB-CD1 3.82Å; A119-Y121 HydrophobicContact CB-CD2 3.78Å; A119-Y121 HydrophobicContact CB-CE1 3.66Å; A119-Y121 HydrophobicContact CB-CE2 3.61Å; A119-Y121 HydrophobicContact CB-CG 3.88Å; A119-Y121 VanDerWaalsContact O-CD1 3.3Å; A119-Y121 WeakPolarHBondContact O-CD1 3.48Å; A119-Y121 PolarHBondContact O-N 3.24Å; Y121-C123 PolarHBondContact O-N 3.17Å; Y121-C123 VanDerWaalsContact O-N 3.15Å; Y121-L213 HydrophobicContact CD2-CD1 4.41Å; Y121-L213 HydrophobicContact CE2-CB 4.16Å; Y121-L213 HydrophobicContact CE2-CD1 4.38Å; Y121-E217 WeakPolarHBondContact OH-CB 3.32Å; Y121-E217 PolarHBondContact OH-OE2 3.3Å
122	R	92	Very high	91.9	Very high	126 Å²	126	60 Å²	60	48%	0.475	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	92.6	175.4	-68.9	179	179.8	169.8	7.4	110	P95 L96 Q97 V98	P95-R122 HydrophobicContact CB-CG 4.38Å; L96-R122 PolarHBondContact O-N 3.4Å; Q97-R122 HydrophobicContact CG-CB 4.18Å; V98-R122 PolarHBondContact N-O 3.02Å
123	C	92.8	Very high	91.7	Very high	44 Å²	44	62.4 Å²	62.4	30%	0.297	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	130.9	179.3	-179.8	0	0	0	0	112.7	V98 L100 C116 Y121	V98-C123 CarbonylContact O-C 3.58Å; V98-C123 WeakPolarHBondContact O-CA 3.25Å; L100-C123 VanDerWaalsContact CD1-SG 3.52Å; C116-C123 HydrophobicContact CB-CB 3.81Å; Y121-C123 PolarHBondContact O-N 3.17Å; Y121-C123 VanDerWaalsContact O-N 3.15Å
124	S	93.6	Very high	91.5	Very high	18 Å²	18	66 Å²	66	13%	0.126	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.5	161.2	-60.9	0	0	0	0	109	V98 L99 L100 K139	V98-S124 PolarHBondContact O-N 3.03Å; L99-S124 WeakPolarHBondContact CA-O 3.43Å; L100-S124 PolarHBondContact N-O 3.04Å; S124-K139 PolarHBondContact OG-NZ 2.98Å
125	M	91.7	Very high	91.4	Very high	66 Å²	66	62.3 Å²	62.3	33%	0.325	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	124.5	178.3	177.1	68.1	78	0	0	110.2	L100 F102 C113	L100-M125 HydrophobicContact CB-CE 3.72Å; L100-M125 HydrophobicContact CB-SD 3.68Å; L100-M125 HydrophobicContact CD1-CE 3.64Å; L100-M125 HydrophobicContact CG-CE 4.34Å; L100-M125 WeakPolarHBondContact O-CA 3.16Å; F102-M125 HydrophobicContact CB-SD 4.23Å; F102-M125 HydrophobicContact CD2-CE 4.38Å; F102-M125 HydrophobicContact CD2-SD 4.13Å; C113-M125 HydrophobicContact CB-CE 4.26Å
126	V	93.6	Very high	91.2	Very high	17 Å²	17	62.5 Å²	62.5	10%	0.103	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	149.1	-177.3	-67	0	0	0	0	110.9	L99 L100 V101 F102 A132 C135	L99-V126 HydrophobicContact CD1-CG1 4.08Å; L99-V126 HydrophobicContact CD1-CG2 3.74Å; L99-V126 HydrophobicContact CG-CG2 4.23Å; L100-V126 WeakPolarHBondContact O-CG2 3.3Å; L100-V126 PolarHBondContact O-N 3.1Å; V101-V126 WeakPolarHBondContact CA-O 3.36Å; V101-V126 HydrophobicContact CB-CG2 4.14Å; V101-V126 HydrophobicContact CG1-CG2 4.14Å; V101-V126 HydrophobicContact CG2-CG2 3.75Å; F102-V126 PolarHBondContact N-O 3.4Å; V126-A132 HydrophobicContact CB-CB 4.42Å; V126-A132 HydrophobicContact CG2-CB 3.67Å; V126-C135 HydrophobicContact CG1-CB 4.27Å
127	R	90.1	Very high	90.8	Very high	126 Å²	126	66.5 Å²	66.5	48%	0.475	33%	0.326	S	S	.	.	S	Bend	trans	-120.4	-7.4	-169.6	-56.2	-169.1	-175.3	-159.1	-3	115.5	F102 E105	F102-R127 WeakPolarHBondContact O-CA 3.49Å; E105-R127 IonicContact OE2-CZ 3.16Å; E105-R127 IonicContact OE2-NH1 2.81Å; E105-R127 PolarHBondContact OE2-NH1 3.22Å; E105-R127 IonicContact OE2-NH2 2.71Å; E105-R127 PolarHBondContact OE2-NH2 3.42Å
128	T	89.7	Confident	90.4	Very high	48 Å²	48	67.3 Å²	67.3	29%	0.294	33%	0.33	S	S	.	.	S	Bend	trans	-134.1	152.7	175.7	87.5	0	0	0	0	109.5	E130 Y131 A132	T128-E130 VanDerWaalsContact C-N 3.29Å; T128-E130 WeakPolarHBondContact CB-OE2 3.39Å; T128-E130 PolarHBondContact O-N 3.06Å; T128-E130 PolarHBondContact OG1-OE2 2.68Å; T128-Y131 HydrophobicContact CG2-CD2 4.35Å; T128-Y131 WeakPolarHBondContact OG1-CD2 3.43Å; T128-A132 WeakPolarHBondContact O-CB 3.5Å; T128-A132 PolarHBondContact O-N 2.87Å; T128-A132 VanDerWaalsContact O-N 3.1Å
129	P	89.9	Confident	89.9	Confident	31 Å²	31	66.7 Å²	66.7	20%	0.201	33%	0.327	C	S	.	.	H	α-helix	trans	-67.1	-28	-176.7	26.7	-33.9	0	0	0	113.1	A132 L133 F154 L159	P129-A132 WeakPolarHBondContact O-CB 3.39Å; P129-A132 PolarHBondContact O-N 2.91Å; P129-L133 WeakPolarHBondContact O-CG 3.39Å; P129-L133 PolarHBondContact O-N 3.08Å; P129-F154 HydrophobicContact CB-CB 4.47Å; P129-F154 HydrophobicContact CG-CB 3.98Å; P129-L159 HydrophobicContact CB-CD1 3.94Å; P129-L159 HydrophobicContact CB-CD2 4.21Å; P129-L159 HydrophobicContact CB-CG 4.5Å
130	E	90.4	Very high	89.6	Confident	126 Å²	126	69.6 Å²	69.6	59%	0.589	34%	0.337	S	S	*	.	H	α-helix	trans	-66.5	-52.7	178.9	-50.9	75.5	-165.2	0	0	110.7	T128 A132 L133 E134	T128-E130 VanDerWaalsContact C-N 3.29Å; T128-E130 WeakPolarHBondContact CB-OE2 3.39Å; T128-E130 PolarHBondContact O-N 3.06Å; T128-E130 PolarHBondContact OG1-OE2 2.68Å; E130-A132 PolarHBondContact O-N 2.78Å; E130-L133 PolarHBondContact O-N 3.19Å; E130-E134 PolarHBondContact O-N 2.87Å
131	Y	91	Very high	89.6	Confident	149 Å²	149	63.7 Å²	63.7	58%	0.584	31%	0.305	S	S	*	.	H	α-helix	trans	-64.5	-26.7	174.4	-74.9	-59	0	0	0	112.7	T128 E134 C135	T128-Y131 HydrophobicContact CG2-CD2 4.35Å; T128-Y131 WeakPolarHBondContact OG1-CD2 3.43Å; Y131-E134 VanDerWaalsContact CD1-OE2 3.26Å; Y131-E134 WeakPolarHBondContact CD1-OE2 3.47Å; Y131-C135 VanDerWaalsContact O-CB 3.23Å; Y131-C135 WeakPolarHBondContact O-CB 3.32Å; Y131-C135 PolarHBondContact O-N 2.68Å
132	A	91.2	Very high	89.6	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-69.3	-43.2	174.1	0	0	0	0	0	111.6	V101 V126 T128 P129 E130 F136 L159 F163	V101-A132 HydrophobicContact CG1-CB 4.05Å; V101-A132 HydrophobicContact CG2-CB 4.09Å; V126-A132 HydrophobicContact CB-CB 4.42Å; V126-A132 HydrophobicContact CG2-CB 3.67Å; T128-A132 WeakPolarHBondContact O-CB 3.5Å; T128-A132 PolarHBondContact O-N 2.87Å; T128-A132 VanDerWaalsContact O-N 3.1Å; P129-A132 WeakPolarHBondContact O-CB 3.39Å; P129-A132 PolarHBondContact O-N 2.91Å; E130-A132 PolarHBondContact O-N 2.78Å; A132-F136 WeakPolarHBondContact O-CB 2.71Å; A132-F136 PolarHBondContact O-N 2.74Å; A132-L159 HydrophobicContact CB-CD1 4.4Å; A132-L159 HydrophobicContact CB-CD2 4.27Å; A132-F163 HydrophobicContact CB-CE1 4.48Å; A132-F163 HydrophobicContact CB-CZ 3.95Å
133	L	90.4	Very high	89.7	Confident	52 Å²	52	57.7 Å²	57.7	27%	0.272	28%	0.284	S	S	.	.	H	α-helix	trans	-68.7	-39.9	175.7	-71.5	165.9	0	0	0	112.6	P129 E130 S137 L159 F163	P129-L133 WeakPolarHBondContact O-CG 3.39Å; P129-L133 PolarHBondContact O-N 3.08Å; E130-L133 PolarHBondContact O-N 3.19Å; L133-S137 WeakPolarHBondContact O-CB 3.45Å; L133-S137 PolarHBondContact O-N 2.63Å; L133-S137 PolarHBondContact O-OG 2.9Å; L133-L159 HydrophobicContact CD1-CD1 4.17Å; L133-L159 HydrophobicContact CD2-CD1 4.02Å; L133-L159 HydrophobicContact CG-CD1 3.76Å; L133-F163 HydrophobicContact CD2-CD1 3.67Å; L133-F163 HydrophobicContact CD2-CE1 3.83Å; L133-F163 HydrophobicContact CG-CE1 4.35Å
134	E	90.1	Very high	89.8	Confident	107 Å²	107	55.6 Å²	55.6	50%	0.5	27%	0.27	S	S	.	.	H	α-helix	trans	-59	-55.5	172.8	-175.3	174.6	-131.1	0	0	110.5	E130 Y131 F136 S137 E138	E130-E134 PolarHBondContact O-N 2.87Å; Y131-E134 VanDerWaalsContact CD1-OE2 3.26Å; Y131-E134 WeakPolarHBondContact CD1-OE2 3.47Å; E134-F136 VanDerWaalsContact C-N 3.32Å; E134-F136 PolarHBondContact O-N 2.74Å; E134-S137 WeakPolarHBondContact O-CB 3.38Å; E134-S137 PolarHBondContact O-N 3.06Å; E134-E138 PolarHBondContact O-N 3.18Å
135	C	90.6	Very high	89.9	Confident	13 Å²	13	54.8 Å²	54.8	9%	0.088	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-34.6	-178.3	-162.1	0	0	0	0	113.1	V126 Y131 S137 E138 K139 H141	V126-C135 HydrophobicContact CG1-CB 4.27Å; Y131-C135 VanDerWaalsContact O-CB 3.23Å; Y131-C135 WeakPolarHBondContact O-CB 3.32Å; Y131-C135 PolarHBondContact O-N 2.68Å; C135-S137 VanDerWaalsContact C-N 3.3Å; C135-E138 PolarHBondContact O-N 2.83Å; C135-K139 PolarHBondContact O-N 2.9Å; C135-K139 VanDerWaalsContact O-N 3.12Å; C135-K139 PolarHBondContact SG-NZ 2.96Å; C135-K139 VanDerWaalsContact SG-NZ 3.36Å; C135-H141 PolarHBondContact O-CE1 3.08Å
136	F	90	Very high	90.1	Very high	5 Å²	5	51.7 Å²	51.7	2%	0.022	25%	0.249	C	C	.	.	H	α-helix	trans	-68.2	-28.7	174.3	-171.3	-99.7	0	0	0	113.1	L99 A132 E134 K139 H141 V144 F163 V166 T172	L99-F136 HydrophobicContact CD2-CB 4.12Å; L99-F136 HydrophobicContact CD2-CD2 4.14Å; A132-F136 WeakPolarHBondContact O-CB 2.71Å; A132-F136 PolarHBondContact O-N 2.74Å; E134-F136 VanDerWaalsContact C-N 3.32Å; E134-F136 PolarHBondContact O-N 2.74Å; F136-K139 VanDerWaalsContact O-O 3.14Å; F136-H141 HydrophobicContact CD2-CB 4.25Å; F136-H141 AromaticContact CD2-ND1 3.92Å; F136-H141 HydrophobicContact CE2-CB 4.2Å; F136-V144 HydrophobicContact CD2-CG2 4.05Å; F136-V144 HydrophobicContact CE2-CG2 3.79Å; F136-F163 HydrophobicContact CB-CD1 3.83Å; F136-F163 HydrophobicContact CB-CE1 3.48Å; F136-F163 VanDerWaalsContact CB-CE1 3.48Å; F136-F163 HydrophobicContact CB-CZ 4.44Å; F136-F163 HydrophobicContact CD1-CB 4.48Å; F136-F163 AromaticContact CD1-CD1 3.52Å; F136-F163 HydrophobicContact CD1-CD1 3.52Å; F136-F163 HydrophobicContact CD1-CE1 4.11Å; F136-F163 HydrophobicContact CD1-CG 4.33Å; F136-F163 HydrophobicContact CD2-CD1 4.09Å; F136-F163 HydrophobicContact CD2-CE1 4.18Å; F136-F163 HydrophobicContact CE1-CB 4.2Å; F136-F163 HydrophobicContact CE1-CD1 4.07Å; F136-F163 HydrophobicContact CE1-CG 4.47Å; F136-F163 AromaticContact CG-CD1 3.52Å; F136-F163 HydrophobicContact CG-CD1 3.52Å; F136-F163 AromaticContact CG-CE1 3.66Å; F136-F163 HydrophobicContact CG-CE1 3.66Å; F136-F163 HydrophobicContact CG-CG 4.42Å; F136-F163 HydrophobicContact CZ-CB 4.47Å; F136-V166 HydrophobicContact CD1-CG2 4.35Å; F136-V166 HydrophobicContact CE1-CB 4.18Å; F136-V166 HydrophobicContact CE1-CG2 4.4Å; F136-T172 HydrophobicContact CE2-CG2 4.04Å; F136-T172 HydrophobicContact CZ-CG2 4.37Å
137	S	85.8	Confident	90.1	Very high	83 Å²	83	51 Å²	51	58%	0.58	25%	0.245	S	C	*	.	H	α-helix	trans	-80	-34.7	175.4	-55.7	0	0	0	0	112.2	L133 E134 C135	L133-S137 WeakPolarHBondContact O-CB 3.45Å; L133-S137 PolarHBondContact O-N 2.63Å; L133-S137 PolarHBondContact O-OG 2.9Å; E134-S137 WeakPolarHBondContact O-CB 3.38Å; E134-S137 PolarHBondContact O-N 3.06Å; C135-S137 VanDerWaalsContact C-N 3.3Å
138	E	84.7	Confident	90.2	Very high	146 Å²	146	47.4 Å²	47.4	68%	0.682	23%	0.233	S	C	*	.	H	α-helix	trans	-72.5	-32.3	176.7	-71.3	-169.2	141.3	0	0	114	E134 C135	E134-E138 PolarHBondContact O-N 3.18Å; C135-E138 PolarHBondContact O-N 2.83Å
139	K	80.4	Confident	90.1	Very high	76 Å²	76	46 Å²	46	33%	0.33	22%	0.222	S	C	.	.	S	Bend	trans	-131.6	133.8	-170.6	-55.1	174.1	-167.3	159.7	0	112	S124 C135 F136 H141	S124-K139 PolarHBondContact OG-NZ 2.98Å; C135-K139 PolarHBondContact O-N 2.9Å; C135-K139 VanDerWaalsContact O-N 3.12Å; C135-K139 PolarHBondContact SG-NZ 2.96Å; C135-K139 VanDerWaalsContact SG-NZ 3.36Å; F136-K139 VanDerWaalsContact O-O 3.14Å; K139-H141 PolarHBondContact O-N 3.15Å; K139-H141 VanDerWaalsContact O-N 3.14Å; K139-H141 PolarHBondContact O-ND1 2.98Å
140	H	81.8	Confident	89.7	Confident	82 Å²	82	46.7 Å²	46.7	38%	0.38	22%	0.223	S	C	.	.			trans	-66.3	110.3	168.1	-179.4	-61.8	0	0	0	110.7	Q97 D142 R228	Q97-H140 WeakPolarHBondContact CB-O 3.39Å; Q97-H140 PolarHBondContact NE2-O 2.94Å; H140-D142 IonicContact CE1-OD1 3.67Å; H140-D142 PolarHBondContact CE1-OD1 3.15Å; H140-D142 VanDerWaalsContact CE1-OD1 3.31Å; H140-D142 IonicContact ND1-OD1 3.6Å; H140-R228 PolarHBondContact CE1-NH1 2.81Å; H140-R228 PolarHBondContact NE2-NH1 2.88Å
141	H	90.2	Very high	89	Confident	1 Å²	1	45 Å²	45	1%	0.005	23%	0.226	C	C	.	.			trans	-102.5	129.7	172.9	-64	94.8	0	0	0	110.9	L99 C135 F136 K139 V144 T172	L99-H141 HydrophobicContact CB-CB 4.46Å; C135-H141 PolarHBondContact O-CE1 3.08Å; F136-H141 HydrophobicContact CD2-CB 4.25Å; F136-H141 AromaticContact CD2-ND1 3.92Å; F136-H141 HydrophobicContact CE2-CB 4.2Å; K139-H141 PolarHBondContact O-N 3.15Å; K139-H141 VanDerWaalsContact O-N 3.14Å; K139-H141 PolarHBondContact O-ND1 2.98Å; H141-V144 HydrophobicContact CB-CG2 4.3Å; H141-T172 WeakPolarHBondContact O-CG2 3.03Å; H141-T172 PolarHBondContact O-OG1 2.93Å
142	D	90.9	Very high	88.3	Confident	22 Å²	22	49.5 Å²	49.5	12%	0.118	24%	0.241	C	C	.	.	S	Bend	trans	-82.6	-30.3	176.2	-58.2	-74.7	0	0	0	111.7	L96 Q97 H140 V173 V221 R228	L96-D142 HydrophobicContact CD1-CB 3.49Å; L96-D142 VanDerWaalsContact CD1-CB 3.49Å; L96-D142 HydrophobicContact CG-CB 4.48Å; Q97-D142 PolarHBondContact N-OD2 2.91Å; Q97-D142 PolarHBondContact O-N 3.42Å; H140-D142 IonicContact CE1-OD1 3.67Å; H140-D142 PolarHBondContact CE1-OD1 3.15Å; H140-D142 VanDerWaalsContact CE1-OD1 3.31Å; H140-D142 IonicContact ND1-OD1 3.6Å; D142-V173 PolarHBondContact O-N 3.27Å; D142-V221 HydrophobicContact CB-CG1 4.2Å; D142-R228 IonicContact OD1-CZ 3.63Å; D142-R228 IonicContact OD1-NH1 3.45Å; D142-R228 PolarHBondContact OD1-NH1 3.44Å; D142-R228 IonicContact OD1-NH2 3.64Å; D142-R228 PolarHBondContact OD1-NH2 3Å
143	L	94.4	Very high	87.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	137	-179.1	178	63.7	0	0	0	110.7	L96 Q97 V98 L99 I145 V173 V175 L213 L216 V221	L96-L143 HydrophobicContact CD2-CD2 4.37Å; Q97-L143 PolarHBondContact O-N 3.29Å; V98-L143 CarbonylContact C-O 3.59Å; V98-L143 VanDerWaalsContact CA-O 3.31Å; V98-L143 WeakPolarHBondContact CA-O 3.33Å; V98-L143 HydrophobicContact CG1-CB 4.45Å; V98-L143 HydrophobicContact CG1-CD2 4.15Å; V98-L143 HydrophobicContact CG1-CG 4.24Å; V98-L143 HydrophobicContact CG2-CB 4.35Å; V98-L143 HydrophobicContact CG2-CD2 4.28Å; L99-L143 PolarHBondContact N-O 2.87Å; L143-I145 HydrophobicContact CD2-CD1 4.41Å; L143-I145 HydrophobicContact CG-CG1 4.32Å; L143-V173 CarbonylContact C-O 3.57Å; L143-V173 WeakPolarHBondContact CA-O 3.25Å; L143-V173 HydrophobicContact CD1-CB 3.93Å; L143-V173 HydrophobicContact CD1-CG1 3.86Å; L143-V175 HydrophobicContact CD1-CG2 3.87Å; L143-L213 HydrophobicContact CD2-CD2 3.58Å; L143-L216 HydrophobicContact CD1-CD1 4.19Å; L143-L216 HydrophobicContact CD1-CD2 4.44Å; L143-L216 HydrophobicContact CD2-CB 4.47Å; L143-L216 HydrophobicContact CD2-CD1 4.23Å; L143-V221 HydrophobicContact CB-CG2 4.45Å
144	V	95.9	Very high	87.7	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.6	174.4	-177.2	0	0	0	0	108.9	L99 V101 F136 H141 I146 F163 T172 V173 I174 V175	L99-V144 HydrophobicContact CB-CB 4.45Å; L99-V144 HydrophobicContact CB-CG1 4.22Å; L99-V144 HydrophobicContact CB-CG2 4.09Å; L99-V144 HydrophobicContact CD2-CG1 4.22Å; L99-V144 HydrophobicContact CD2-CG2 4.42Å; L99-V144 HydrophobicContact CG-CG1 4.44Å; L99-V144 CarbonylContact O-C 3.55Å; L99-V144 WeakPolarHBondContact O-CA 3.48Å; V101-V144 HydrophobicContact CG2-CG1 4.27Å; F136-V144 HydrophobicContact CD2-CG2 4.05Å; F136-V144 HydrophobicContact CE2-CG2 3.79Å; H141-V144 HydrophobicContact CB-CG2 4.3Å; V144-I146 HydrophobicContact CG1-CD1 4.29Å; V144-I146 HydrophobicContact CG1-CG1 3.88Å; V144-F163 HydrophobicContact CG1-CD2 4.29Å; V144-F163 HydrophobicContact CG1-CE2 3.77Å; V144-F163 HydrophobicContact CG1-CZ 4.4Å; V144-T172 HydrophobicContact CG2-CG2 3.64Å; V144-V173 PolarHBondContact N-O 2.99Å; V144-I174 HydrophobicContact CB-CG1 4.27Å; V144-I174 HydrophobicContact CB-CG2 4.2Å; V144-I174 HydrophobicContact CG1-CG2 4.32Å; V144-I174 CarbonylContact O-C 3.56Å; V144-I174 WeakPolarHBondContact O-CA 3.48Å; V144-V175 PolarHBondContact O-N 3.09Å
145	I	95.8	Very high	87.7	Confident	1 Å²	1	52.3 Å²	52.3	1%	0.005	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.1	177.6	-56.6	-171.4	0	0	0	108.3	L99 L100 V101 F102 F112 L143 V175 V177 L213	L99-I145 PolarHBondContact O-N 3.14Å; L100-I145 HydrophobicContact CD2-CB 3.77Å; L100-I145 HydrophobicContact CD2-CD1 3.85Å; L100-I145 HydrophobicContact CD2-CG1 3.98Å; V101-I145 PolarHBondContact N-O 3.48Å; F102-I145 HydrophobicContact CE2-CG2 4.09Å; F102-I145 HydrophobicContact CZ-CG2 4.06Å; F112-I145 HydrophobicContact CD1-CD1 3.66Å; F112-I145 HydrophobicContact CD2-CG2 4.37Å; F112-I145 HydrophobicContact CE1-CD1 3.71Å; F112-I145 HydrophobicContact CE2-CG2 4.23Å; F112-I145 HydrophobicContact CG-CD1 4.22Å; F112-I145 HydrophobicContact CZ-CD1 4.28Å; F112-I145 HydrophobicContact CZ-CG2 4.47Å; L143-I145 HydrophobicContact CD2-CD1 4.41Å; L143-I145 HydrophobicContact CG-CG1 4.32Å; I145-V175 HydrophobicContact CG1-CB 4.39Å; I145-V177 HydrophobicContact CG2-CG2 3.39Å; I145-L213 HydrophobicContact CD1-CD2 3.74Å
146	I	95.6	Very high	87.7	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.5	-173.6	-48.5	-177	0	0	0	110.6	V101 V144 H148 F154 A156 L159 C160 F163 I174 V175 V177 F196	V101-I146 HydrophobicContact CB-CG1 4.47Å; V101-I146 HydrophobicContact CB-CG2 4.39Å; V101-I146 HydrophobicContact CG2-CG1 4.35Å; V144-I146 HydrophobicContact CG1-CD1 4.29Å; V144-I146 HydrophobicContact CG1-CG1 3.88Å; I146-H148 PolarHBondContact O-N 2.8Å; I146-H148 VanDerWaalsContact O-N 3.11Å; I146-F154 HydrophobicContact CG2-CE2 3.67Å; I146-F154 HydrophobicContact CG2-CZ 4.17Å; I146-A156 HydrophobicContact CG2-CB 3.7Å; I146-L159 HydrophobicContact CD1-CD2 4.39Å; I146-L159 HydrophobicContact CD1-CG 4.41Å; I146-L159 HydrophobicContact CG2-CD2 4.24Å; I146-C160 HydrophobicContact CD1-CB 4.27Å; I146-F163 HydrophobicContact CD1-CD2 3.88Å; I146-F163 HydrophobicContact CD1-CE2 3.65Å; I146-F163 HydrophobicContact CG1-CE2 4.36Å; I146-I174 HydrophobicContact CD1-CG2 3.71Å; I146-I174 HydrophobicContact CG1-CG2 4.13Å; I146-V175 PolarHBondContact N-O 2.92Å; I146-V177 PolarHBondContact O-N 3.28Å; I146-F196 HydrophobicContact CB-CE1 3.99Å; I146-F196 HydrophobicContact CB-CZ 4.22Å; I146-F196 HydrophobicContact CD1-CE1 3.76Å; I146-F196 HydrophobicContact CD1-CZ 3.99Å; I146-F196 HydrophobicContact CG1-CE1 4.06Å
147	D	93.8	Very high	87.9	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.011	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	94.4	176.4	-168.9	9.1	0	0	0	112.9	V101 F102 R149 H150	V101-D147 PolarHBondContact O-N 3.01Å; F102-D147 HydrophobicContact CD1-CB 3.69Å; F102-D147 HydrophobicContact CE1-CB 4.03Å; F102-D147 HydrophobicContact CG-CB 4.19Å; D147-R149 VanDerWaalsContact C-N 3.3Å; D147-R149 WeakPolarHBondContact OD1-CB 3.45Å; D147-R149 WeakPolarHBondContact OD1-CG 3.35Å; D147-R149 IonicContact OD1-CZ 3.22Å; D147-R149 PolarHBondContact OD1-N 2.59Å; D147-R149 IonicContact OD1-NE 2.76Å; D147-R149 PolarHBondContact OD1-NE 2.83Å; D147-R149 IonicContact OD1-NH2 2.62Å; D147-R149 IonicContact OD2-CZ 2.67Å; D147-R149 IonicContact OD2-NE 3.01Å; D147-R149 PolarHBondContact OD2-NE 3.34Å; D147-R149 IonicContact OD2-NH2 3.14Å; D147-R149 PolarHBondContact OD2-NH2 3.33Å; D147-H150 IonicContact OD1-ND1 2.85Å; D147-H150 IonicContact OD2-CE1 2.95Å; D147-H150 IonicContact OD2-ND1 3.82Å; D147-H150 PolarHBondContact OD2-ND1 2.96Å
148	H	91.1	Very high	88.2	Confident	52 Å²	52	51.4 Å²	51.4	24%	0.241	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-82.6	-4.1	173.3	-165.1	-66.1	0	0	0	112.4	I146 H150 A156 A176 V177 V178 L191	I146-H148 PolarHBondContact O-N 2.8Å; I146-H148 VanDerWaalsContact O-N 3.11Å; H148-H150 PolarHBondContact O-N 3.26Å; H148-A156 HydrophobicContact CB-CB 4Å; H148-A176 HydrophobicContact CB-CB 4.39Å; H148-V177 CarbonylContact C-O 3.57Å; H148-V177 VanDerWaalsContact CA-O 3.32Å; H148-V177 WeakPolarHBondContact CA-O 3.47Å; H148-V177 VanDerWaalsContact CB-O 3.3Å; H148-V177 WeakPolarHBondContact CB-O 3.02Å; H148-V177 PolarHBondContact N-O 2.98Å; H148-V178 HydrophobicContact CB-CG1 4.19Å; H148-L191 VanDerWaalsContact CD2-CD2 3.42Å; H148-L191 WeakPolarHBondContact CD2-CD2 3.29Å; H148-L191 WeakPolarHBondContact NE2-CD2 3.44Å
149	R	89.2	Confident	88.6	Confident	17 Å²	17	44.7 Å²	44.7	6%	0.064	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-67.3	-18.8	179.9	-57.8	173.3	-64	150	9.1	112.9	D106 D147 V177 K179 E202	D106-R149 IonicContact OD1-NH1 3.45Å; D106-R149 IonicContact OD1-NH2 2.57Å; D106-R149 PolarHBondContact OD1-NH2 3.35Å; D106-R149 IonicContact OD2-CZ 3.92Å; D106-R149 VanDerWaalsContact OD2-CZ 3.23Å; D106-R149 IonicContact OD2-NH1 3.91Å; D106-R149 PolarHBondContact OD2-NH1 3.44Å; D106-R149 IonicContact OD2-NH2 2.73Å; D106-R149 PolarHBondContact OD2-NH2 3.06Å; D147-R149 VanDerWaalsContact C-N 3.3Å; D147-R149 WeakPolarHBondContact OD1-CB 3.45Å; D147-R149 WeakPolarHBondContact OD1-CG 3.35Å; D147-R149 IonicContact OD1-CZ 3.22Å; D147-R149 PolarHBondContact OD1-N 2.59Å; D147-R149 IonicContact OD1-NE 2.76Å; D147-R149 PolarHBondContact OD1-NE 2.83Å; D147-R149 IonicContact OD1-NH2 2.62Å; D147-R149 IonicContact OD2-CZ 2.67Å; D147-R149 IonicContact OD2-NE 3.01Å; D147-R149 PolarHBondContact OD2-NE 3.34Å; D147-R149 IonicContact OD2-NH2 3.14Å; D147-R149 PolarHBondContact OD2-NH2 3.33Å; R149-V177 HydrophobicContact CG-CG1 4.24Å; R149-V177 PolarHBondContact N-O 3.24Å; R149-K179 HydrophobicContact CB-CG 3.62Å; R149-K179 HydrophobicContact CG-CG 3.78Å; R149-K179 PolarHBondContact O-NZ 3.33Å; R149-E202 WeakPolarHBondContact CD-OE2 3.46Å; R149-E202 IonicContact NH1-OE2 2.78Å; R149-E202 PolarHBondContact NH1-OE2 2.87Å
150	H	80.9	Confident	89.3	Confident	46 Å²	46	41 Å²	41	21%	0.213	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-133.5	56.1	-165.2	-60.4	110.3	0	0	0	113.3	D147 H148 R152 H153 K179	D147-H150 IonicContact OD1-ND1 2.85Å; D147-H150 IonicContact OD2-CE1 2.95Å; D147-H150 IonicContact OD2-ND1 3.82Å; D147-H150 PolarHBondContact OD2-ND1 2.96Å; H148-H150 PolarHBondContact O-N 3.26Å; H150-R152 PolarHBondContact O-N 2.88Å; H150-H153 PolarHBondContact O-N 3.41Å; H150-K179 PolarHBondContact CD2-NZ 3.04Å; H150-K179 PolarHBondContact NE2-NZ 3.18Å; H150-K179 VanDerWaalsContact NE2-NZ 3.14Å
151	S	74.6	Confident	89.8	Confident	92 Å²	92	42.2 Å²	42.2	64%	0.643	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-9.5	177.6	56.7	0	0	0	0	116.3	H153 F154	S151-H153 VanDerWaalsContact C-N 3.32Å; S151-F154 WeakPolarHBondContact CA-O 3.33Å
152	R	77.1	Confident	90	Very high	242 Å²	242	44.6 Å²	44.6	91%	0.913	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-12	169.9	-64.1	-174	-178.4	-177.4	0.5	114.3	H150	H150-R152 PolarHBondContact O-N 2.88Å
153	H	80.6	Confident	90.1	Very high	120 Å²	120	43.6 Å²	43.6	56%	0.556	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-42.6	179.9	-67.9	-45.8	0	0	0	112.6	A103 H150 S151	A103-H153 HydrophobicContact CB-CB 3.42Å; A103-H153 VanDerWaalsContact CB-CB 3.42Å; H150-H153 PolarHBondContact O-N 3.41Å; S151-H153 VanDerWaalsContact C-N 3.32Å
154	F	88.1	Confident	90	Very high	16 Å²	16	46.8 Å²	46.8	7%	0.07	23%	0.225	C	C	.	.			trans	-154.5	158.8	166.4	57.2	-106.5	0	0	0	109.9	V101 A103 P129 I146 S151 A156 L159	V101-F154 HydrophobicContact CG1-CE1 4.09Å; V101-F154 HydrophobicContact CG1-CE2 4.42Å; V101-F154 HydrophobicContact CG1-CZ 3.75Å; A103-F154 HydrophobicContact CB-CD1 4.04Å; A103-F154 HydrophobicContact CB-CE1 3.71Å; P129-F154 HydrophobicContact CB-CB 4.47Å; P129-F154 HydrophobicContact CG-CB 3.98Å; I146-F154 HydrophobicContact CG2-CE2 3.67Å; I146-F154 HydrophobicContact CG2-CZ 4.17Å; S151-F154 WeakPolarHBondContact CA-O 3.33Å; F154-A156 HydrophobicContact CD2-CB 4.37Å; F154-A156 HydrophobicContact CE2-CB 4.05Å; F154-A156 PolarHBondContact O-N 3.14Å; F154-L159 HydrophobicContact CE2-CD2 4.37Å
155	D	90.3	Very high	89.6	Confident	82 Å²	82	50.6 Å²	50.6	44%	0.439	26%	0.256	S	S	.	.			trans	-80.6	107.8	169.6	178.3	-7.9	0	0	0	109.4	E157 A158 L159 R161	D155-E157 VanDerWaalsContact C-N 3.33Å; D155-E157 WeakPolarHBondContact OD1-CA 3.32Å; D155-E157 WeakPolarHBondContact OD1-CB 3.47Å; D155-E157 PolarHBondContact OD1-N 3.19Å; D155-A158 HydrophobicContact CB-CB 3.83Å; D155-A158 VanDerWaalsContact CG-CB 3.42Å; D155-A158 PolarHBondContact OD1-N 3.48Å; D155-A158 VanDerWaalsContact OD2-CB 3.27Å; D155-A158 WeakPolarHBondContact OD2-CB 3.47Å; D155-L159 WeakPolarHBondContact O-CB 3.46Å; D155-L159 PolarHBondContact O-N 3.26Å; D155-R161 IonicContact OD2-NH2 3.55Å
156	A	91.7	Very high	89.2	Confident	3 Å²	3	52.4 Å²	52.4	3%	0.025	27%	0.267	C	S	.	.	H	α-helix	trans	-69.5	-28.9	-179.8	0	0	0	0	0	112.9	I146 H148 F154 C160 F196	I146-A156 HydrophobicContact CG2-CB 3.7Å; H148-A156 HydrophobicContact CB-CB 4Å; F154-A156 HydrophobicContact CD2-CB 4.37Å; F154-A156 HydrophobicContact CE2-CB 4.05Å; F154-A156 PolarHBondContact O-N 3.14Å; A156-C160 WeakPolarHBondContact O-CB 3.44Å; A156-C160 PolarHBondContact O-N 3.28Å; A156-F196 HydrophobicContact CB-CZ 4.43Å; A156-F196 WeakPolarHBondContact O-CZ 3.37Å
157	E	92.6	Very high	87.9	Confident	44 Å²	44	59.6 Å²	59.6	21%	0.206	31%	0.305	C	S	.	.	H	α-helix	trans	-74.3	-43.5	174.5	-67.9	-171.6	-171	0	0	111.3	D155 L159 C160 R161 P190 A194	D155-E157 VanDerWaalsContact C-N 3.33Å; D155-E157 WeakPolarHBondContact OD1-CA 3.32Å; D155-E157 WeakPolarHBondContact OD1-CB 3.47Å; D155-E157 PolarHBondContact OD1-N 3.19Å; E157-L159 VanDerWaalsContact C-N 3.3Å; E157-L159 PolarHBondContact O-N 3.49Å; E157-C160 PolarHBondContact O-N 2.76Å; E157-R161 VanDerWaalsContact CB-NH2 3.27Å; E157-R161 WeakPolarHBondContact O-CG 3.44Å; E157-R161 PolarHBondContact O-N 2.91Å; E157-R161 IonicContact OE2-CZ 2.78Å; E157-R161 IonicContact OE2-NH1 3.41Å; E157-R161 PolarHBondContact OE2-NH1 3.5Å; E157-R161 IonicContact OE2-NH2 3.7Å; E157-R161 PolarHBondContact OE2-NH2 3.2Å; E157-P190 WeakPolarHBondContact OE1-CB 3.17Å; E157-A194 HydrophobicContact CB-CB 3.62Å; E157-A194 HydrophobicContact CG-CB 3.75Å
158	A	92.4	Very high	86.8	Confident	35 Å²	35	62.5 Å²	62.5	29%	0.289	33%	0.326	S	S	.	.	H	α-helix	trans	-60.7	-42	175	0	0	0	0	0	111.1	D155 C160 R161 S162	D155-A158 HydrophobicContact CB-CB 3.83Å; D155-A158 VanDerWaalsContact CG-CB 3.42Å; D155-A158 PolarHBondContact OD1-N 3.48Å; D155-A158 VanDerWaalsContact OD2-CB 3.27Å; D155-A158 WeakPolarHBondContact OD2-CB 3.47Å; A158-C160 PolarHBondContact O-N 2.9Å; A158-R161 PolarHBondContact O-N 3.17Å; A158-S162 WeakPolarHBondContact O-CB 3.39Å; A158-S162 PolarHBondContact O-N 3.43Å; A158-S162 PolarHBondContact O-OG 3.46Å
159	L	93.8	Very high	86.2	Confident	5 Å²	5	60.1 Å²	60.1	3%	0.026	32%	0.315	C	S	.	.	H	α-helix	trans	-62.3	-41.8	173.9	-178.8	60.4	0	0	0	112.4	V101 P129 A132 L133 I146 F154 D155 E157 S162 F163	V101-L159 HydrophobicContact CG1-CD2 3.75Å; P129-L159 HydrophobicContact CB-CD1 3.94Å; P129-L159 HydrophobicContact CB-CD2 4.21Å; P129-L159 HydrophobicContact CB-CG 4.5Å; A132-L159 HydrophobicContact CB-CD1 4.4Å; A132-L159 HydrophobicContact CB-CD2 4.27Å; L133-L159 HydrophobicContact CD1-CD1 4.17Å; L133-L159 HydrophobicContact CD2-CD1 4.02Å; L133-L159 HydrophobicContact CG-CD1 3.76Å; I146-L159 HydrophobicContact CD1-CD2 4.39Å; I146-L159 HydrophobicContact CD1-CG 4.41Å; I146-L159 HydrophobicContact CG2-CD2 4.24Å; F154-L159 HydrophobicContact CE2-CD2 4.37Å; D155-L159 WeakPolarHBondContact O-CB 3.46Å; D155-L159 PolarHBondContact O-N 3.26Å; E157-L159 VanDerWaalsContact C-N 3.3Å; E157-L159 PolarHBondContact O-N 3.49Å; L159-S162 WeakPolarHBondContact O-CB 3.4Å; L159-S162 PolarHBondContact O-N 3.3Å; L159-F163 HydrophobicContact CD1-CD2 4.49Å; L159-F163 HydrophobicContact CD1-CE1 4.08Å; L159-F163 HydrophobicContact CD1-CE2 3.99Å; L159-F163 HydrophobicContact CD1-CZ 3.78Å; L159-F163 HydrophobicContact CD2-CE2 4.01Å; L159-F163 HydrophobicContact CD2-CZ 4.16Å; L159-F163 HydrophobicContact CG-CD2 4.17Å; L159-F163 HydrophobicContact CG-CE2 3.66Å; L159-F163 HydrophobicContact CG-CZ 3.93Å; L159-F163 WeakPolarHBondContact O-CD2 3.37Å; L159-F163 PolarHBondContact O-N 2.85Å
160	C	93.9	Very high	85.6	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-62.6	-44.7	175.6	-172.8	0	0	0	0	111.9	I146 A156 E157 A158 S162 F163 R164 A194 F196	I146-C160 HydrophobicContact CD1-CB 4.27Å; A156-C160 WeakPolarHBondContact O-CB 3.44Å; A156-C160 PolarHBondContact O-N 3.28Å; E157-C160 PolarHBondContact O-N 2.76Å; A158-C160 PolarHBondContact O-N 2.9Å; C160-S162 VanDerWaalsContact C-N 3.3Å; C160-S162 PolarHBondContact O-N 3.3Å; C160-F163 PolarHBondContact O-N 2.69Å; C160-R164 WeakPolarHBondContact O-CG 3.26Å; C160-R164 PolarHBondContact O-N 3.36Å; C160-A194 CarbonylContact C-O 3.48Å; C160-A194 PolarHBondContact SG-O 2.86Å; C160-F196 HydrophobicContact CB-CD2 4.04Å; C160-F196 HydrophobicContact CB-CE1 4.12Å; C160-F196 HydrophobicContact CB-CE2 3.59Å; C160-F196 HydrophobicContact CB-CG 4.49Å; C160-F196 HydrophobicContact CB-CZ 3.64Å
161	R	93.8	Very high	85.7	Confident	107 Å²	107	64.6 Å²	64.6	40%	0.404	34%	0.337	S	S	.	.	H	α-helix	trans	-59	-39.9	172.5	-71	-179.2	-75.8	-103.5	0.4	111.7	D155 E157 A158 R164 A165 A194	D155-R161 IonicContact OD2-NH2 3.55Å; E157-R161 VanDerWaalsContact CB-NH2 3.27Å; E157-R161 WeakPolarHBondContact O-CG 3.44Å; E157-R161 PolarHBondContact O-N 2.91Å; E157-R161 IonicContact OE2-CZ 2.78Å; E157-R161 IonicContact OE2-NH1 3.41Å; E157-R161 PolarHBondContact OE2-NH1 3.5Å; E157-R161 IonicContact OE2-NH2 3.7Å; E157-R161 PolarHBondContact OE2-NH2 3.2Å; A158-R161 PolarHBondContact O-N 3.17Å; R161-R164 PolarHBondContact O-N 2.98Å; R161-A165 PolarHBondContact O-N 2.65Å; R161-A165 VanDerWaalsContact O-N 3.08Å; R161-A194 HydrophobicContact CG-CB 4.3Å; R161-A194 PolarHBondContact N-O 3.34Å
162	S	93.1	Very high	86.5	Confident	51 Å²	51	60.3 Å²	60.3	36%	0.357	31%	0.307	S	S	.	.	H	α-helix	trans	-66.9	-38.3	175.5	-62.1	0	0	0	0	113.2	A158 L159 C160 A165	A158-S162 WeakPolarHBondContact O-CB 3.39Å; A158-S162 PolarHBondContact O-N 3.43Å; A158-S162 PolarHBondContact O-OG 3.46Å; L159-S162 WeakPolarHBondContact O-CB 3.4Å; L159-S162 PolarHBondContact O-N 3.3Å; C160-S162 VanDerWaalsContact C-N 3.3Å; C160-S162 PolarHBondContact O-N 3.3Å; S162-A165 PolarHBondContact O-N 2.91Å
163	F	92.9	Very high	87.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.9	-43.9	171.3	-69.4	-41.4	0	0	0	111.6	L99 V101 A132 L133 F136 V144 I146 L159 C160 A165 V166 S169 I174	L99-F163 HydrophobicContact CD2-CE1 4.39Å; L99-F163 HydrophobicContact CD2-CZ 3.97Å; V101-F163 HydrophobicContact CG2-CZ 4.4Å; A132-F163 HydrophobicContact CB-CE1 4.48Å; A132-F163 HydrophobicContact CB-CZ 3.95Å; L133-F163 HydrophobicContact CD2-CD1 3.67Å; L133-F163 HydrophobicContact CD2-CE1 3.83Å; L133-F163 HydrophobicContact CG-CE1 4.35Å; F136-F163 HydrophobicContact CB-CD1 3.83Å; F136-F163 HydrophobicContact CB-CE1 3.48Å; F136-F163 VanDerWaalsContact CB-CE1 3.48Å; F136-F163 HydrophobicContact CB-CZ 4.44Å; F136-F163 HydrophobicContact CD1-CB 4.48Å; F136-F163 AromaticContact CD1-CD1 3.52Å; F136-F163 HydrophobicContact CD1-CD1 3.52Å; F136-F163 HydrophobicContact CD1-CE1 4.11Å; F136-F163 HydrophobicContact CD1-CG 4.33Å; F136-F163 HydrophobicContact CD2-CD1 4.09Å; F136-F163 HydrophobicContact CD2-CE1 4.18Å; F136-F163 HydrophobicContact CE1-CB 4.2Å; F136-F163 HydrophobicContact CE1-CD1 4.07Å; F136-F163 HydrophobicContact CE1-CG 4.47Å; F136-F163 AromaticContact CG-CD1 3.52Å; F136-F163 HydrophobicContact CG-CD1 3.52Å; F136-F163 AromaticContact CG-CE1 3.66Å; F136-F163 HydrophobicContact CG-CE1 3.66Å; F136-F163 HydrophobicContact CG-CG 4.42Å; F136-F163 HydrophobicContact CZ-CB 4.47Å; V144-F163 HydrophobicContact CG1-CD2 4.29Å; V144-F163 HydrophobicContact CG1-CE2 3.77Å; V144-F163 HydrophobicContact CG1-CZ 4.4Å; I146-F163 HydrophobicContact CD1-CD2 3.88Å; I146-F163 HydrophobicContact CD1-CE2 3.65Å; I146-F163 HydrophobicContact CG1-CE2 4.36Å; L159-F163 HydrophobicContact CD1-CD2 4.49Å; L159-F163 HydrophobicContact CD1-CE1 4.08Å; L159-F163 HydrophobicContact CD1-CE2 3.99Å; L159-F163 HydrophobicContact CD1-CZ 3.78Å; L159-F163 HydrophobicContact CD2-CE2 4.01Å; L159-F163 HydrophobicContact CD2-CZ 4.16Å; L159-F163 HydrophobicContact CG-CD2 4.17Å; L159-F163 HydrophobicContact CG-CE2 3.66Å; L159-F163 HydrophobicContact CG-CZ 3.93Å; L159-F163 WeakPolarHBondContact O-CD2 3.37Å; L159-F163 PolarHBondContact O-N 2.85Å; C160-F163 PolarHBondContact O-N 2.69Å; F163-A165 PolarHBondContact O-N 3.23Å; F163-V166 WeakPolarHBondContact O-CB 3.44Å; F163-V166 PolarHBondContact O-N 3.44Å; F163-S169 WeakPolarHBondContact O-CB 3.33Å; F163-S169 PolarHBondContact O-OG 3.36Å; F163-S169 VanDerWaalsContact O-OG 3.07Å; F163-I174 HydrophobicContact CB-CD1 4Å; F163-I174 HydrophobicContact CD2-CD1 4.38Å
164	R	91.9	Very high	88	Confident	68 Å²	68	43.1 Å²	43.1	26%	0.257	24%	0.237	S	C	.	.	H	α-helix	trans	-65.3	-20.9	178	-67.5	-59	-173.4	-158.3	-3.4	114.2	C160 R161 V166 S169 T172 I174 G195 N197	C160-R164 WeakPolarHBondContact O-CG 3.26Å; C160-R164 PolarHBondContact O-N 3.36Å; R161-R164 PolarHBondContact O-N 2.98Å; R164-V166 PolarHBondContact O-N 3.48Å; R164-S169 WeakPolarHBondContact CA-OG 3.46Å; R164-S169 PolarHBondContact NH1-O 2.99Å; R164-S169 PolarHBondContact O-OG 3.19Å; R164-T172 PolarHBondContact NH1-O 3.46Å; R164-T172 PolarHBondContact NH2-O 3.22Å; R164-I174 HydrophobicContact CG-CD1 4.48Å; R164-G195 PolarHBondContact NE-O 2.86Å; R164-G195 PolarHBondContact NH2-O 2.75Å; R164-N197 PolarHBondContact NH2-OD1 2.93Å
165	A	88.4	Confident	88.4	Confident	79 Å²	79	42.4 Å²	42.4	65%	0.653	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-6.7	172	0	0	0	0	0	113.9	R161 S162 F163	R161-A165 PolarHBondContact O-N 2.65Å; R161-A165 VanDerWaalsContact O-N 3.08Å; S162-A165 PolarHBondContact O-N 2.91Å; F163-A165 PolarHBondContact O-N 3.23Å
166	V	86.8	Confident	88.6	Confident	40 Å²	40	38.5 Å²	38.5	24%	0.242	21%	0.214	C	C	.	.	S	Bend	trans	-92.6	125.6	175.5	-171.1	0	0	0	0	109.8	F136 F163 R164 S168 S169	F136-V166 HydrophobicContact CD1-CG2 4.35Å; F136-V166 HydrophobicContact CE1-CB 4.18Å; F136-V166 HydrophobicContact CE1-CG2 4.4Å; F163-V166 WeakPolarHBondContact O-CB 3.44Å; F163-V166 PolarHBondContact O-N 3.44Å; R164-V166 PolarHBondContact O-N 3.48Å; V166-S168 WeakPolarHBondContact CG1-OG 3.44Å; V166-S168 PolarHBondContact O-N 3.44Å; V166-S169 WeakPolarHBondContact O-CB 3.2Å; V166-S169 PolarHBondContact O-N 2.96Å; V166-S169 PolarHBondContact O-OG 3.43Å
167	N	69.8	Low	88.7	Confident	150 Å²	150	38.3 Å²	38.3	80%	0.802	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-20.5	-174.1	-60.3	2	0	0	0	115.3	S169	N167-S169 VanDerWaalsContact C-N 3.35Å
168	S	70.4	Confident	88.7	Confident	63 Å²	63	37.2 Å²	37.2	44%	0.441	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-10.6	176.5	50.9	0	0	0	0	114.1	V166	V166-S168 WeakPolarHBondContact CG1-OG 3.44Å; V166-S168 PolarHBondContact O-N 3.44Å
169	S	77.9	Confident	88.4	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.014	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-84.3	-10.8	-166.7	71	0	0	0	0	115.8	F163 R164 V166 N167 N171 T172	F163-S169 WeakPolarHBondContact O-CB 3.33Å; F163-S169 PolarHBondContact O-OG 3.36Å; F163-S169 VanDerWaalsContact O-OG 3.07Å; R164-S169 WeakPolarHBondContact CA-OG 3.46Å; R164-S169 PolarHBondContact NH1-O 2.99Å; R164-S169 PolarHBondContact O-OG 3.19Å; V166-S169 WeakPolarHBondContact O-CB 3.2Å; V166-S169 PolarHBondContact O-N 2.96Å; V166-S169 PolarHBondContact O-OG 3.43Å; N167-S169 VanDerWaalsContact C-N 3.35Å; S169-N171 PolarHBondContact O-N 3.36Å; S169-N171 VanDerWaalsContact O-N 3.1Å; S169-T172 WeakPolarHBondContact O-CB 3.32Å; S169-T172 PolarHBondContact O-N 3.13Å
170	E	76.2	Confident	87.8	Confident	139 Å²	139	46.6 Å²	46.6	65%	0.65	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-52.5	-38.6	-173.2	-62.8	-179.8	158.3	0	0	112.8
171	N	83.8	Confident	86.8	Confident	19 Å²	19	49.7 Å²	49.7	10%	0.102	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-102.5	6.6	-174.3	-64.9	-98.1	0	0	0	112.8	S169 Q224 R228	S169-N171 PolarHBondContact O-N 3.36Å; S169-N171 VanDerWaalsContact O-N 3.1Å; N171-Q224 HydrophobicContact CB-CB 4.36Å; N171-Q224 VanDerWaalsContact O-CB 3.28Å; N171-Q224 WeakPolarHBondContact O-CB 3.18Å; N171-Q224 PolarHBondContact OD1-OE1 2.91Å; N171-R228 HydrophobicContact CB-CG 3.7Å; N171-R228 VanDerWaalsContact CG-CG 3.4Å; N171-R228 VanDerWaalsContact OD1-CG 3.29Å; N171-R228 WeakPolarHBondContact OD1-CG 3.38Å
172	T	91.1	Very high	84.9	Confident	2 Å²	2	52.5 Å²	52.5	1%	0.012	28%	0.282	C	S	.	.			trans	-84.3	133.8	175.3	-62	0	0	0	0	110.3	F136 H141 V144 R164 S169 I174 N197	F136-T172 HydrophobicContact CE2-CG2 4.04Å; F136-T172 HydrophobicContact CZ-CG2 4.37Å; H141-T172 WeakPolarHBondContact O-CG2 3.03Å; H141-T172 PolarHBondContact O-OG1 2.93Å; V144-T172 HydrophobicContact CG2-CG2 3.64Å; R164-T172 PolarHBondContact NH1-O 3.46Å; R164-T172 PolarHBondContact NH2-O 3.22Å; S169-T172 WeakPolarHBondContact O-CB 3.32Å; S169-T172 PolarHBondContact O-N 3.13Å; T172-I174 HydrophobicContact CG2-CG1 4.15Å; T172-N197 PolarHBondContact O-OD1 3.28Å
173	V	94.1	Very high	83.2	Confident	0 Å²	0	61 Å²	61	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	126	171.5	-177.6	0	0	0	0	109.5	D142 L143 V144 V175 N197 L216 E220 V221 Q224	D142-V173 PolarHBondContact O-N 3.27Å; L143-V173 CarbonylContact C-O 3.57Å; L143-V173 WeakPolarHBondContact CA-O 3.25Å; L143-V173 HydrophobicContact CD1-CB 3.93Å; L143-V173 HydrophobicContact CD1-CG1 3.86Å; V144-V173 PolarHBondContact N-O 2.99Å; V173-V175 HydrophobicContact CG1-CG2 4.25Å; V173-N197 WeakPolarHBondContact CA-OD1 3.27Å; V173-N197 HydrophobicContact CG1-CB 4.17Å; V173-L216 HydrophobicContact CG1-CD2 4.02Å; V173-E220 HydrophobicContact CG1-CB 4.1Å; V173-E220 HydrophobicContact CG2-CB 3.85Å; V173-V221 HydrophobicContact CB-CG2 4.08Å; V173-V221 HydrophobicContact CG2-CB 4.39Å; V173-V221 HydrophobicContact CG2-CG2 3.66Å; V173-Q224 HydrophobicContact CG2-CG 4.12Å
174	I	95.7	Very high	81.5	Confident	0 Å²	0	70.2 Å²	70.2	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.2	178.4	-47.9	-179	0	0	0	109.8	V144 I146 F163 R164 T172 F196 N197	V144-I174 HydrophobicContact CB-CG1 4.27Å; V144-I174 HydrophobicContact CB-CG2 4.2Å; V144-I174 HydrophobicContact CG1-CG2 4.32Å; V144-I174 CarbonylContact O-C 3.56Å; V144-I174 WeakPolarHBondContact O-CA 3.48Å; I146-I174 HydrophobicContact CD1-CG2 3.71Å; I146-I174 HydrophobicContact CG1-CG2 4.13Å; F163-I174 HydrophobicContact CB-CD1 4Å; F163-I174 HydrophobicContact CD2-CD1 4.38Å; R164-I174 HydrophobicContact CG-CD1 4.48Å; T172-I174 HydrophobicContact CG2-CG1 4.15Å; I174-F196 HydrophobicContact CB-CD1 4.31Å; I174-F196 HydrophobicContact CG2-CD1 3.63Å; I174-F196 HydrophobicContact CG2-CE1 3.71Å; I174-N197 PolarHBondContact N-OD1 3.47Å; I174-N197 PolarHBondContact O-N 2.85Å
175	V	96.1	Very high	80.2	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.006	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.7	-174.7	-174.2	0	0	0	0	110.9	L143 V144 I145 I146 V173 R198 L216	L143-V175 HydrophobicContact CD1-CG2 3.87Å; V144-V175 PolarHBondContact O-N 3.09Å; I145-V175 HydrophobicContact CG1-CB 4.39Å; I146-V175 PolarHBondContact N-O 2.92Å; V173-V175 HydrophobicContact CG1-CG2 4.25Å; V175-R198 WeakPolarHBondContact CA-O 3.18Å; V175-R198 HydrophobicContact CG1-CB 4.36Å; V175-R198 HydrophobicContact CG2-CB 4.3Å; V175-L216 HydrophobicContact CG2-CD1 3.98Å; V175-L216 HydrophobicContact CG2-CD2 3.83Å
176	A	94.6	Very high	79.4	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	119.4	173.6	0	0	0	0	0	110.6	H148 V178 L191 F196 R198 R199 Y200	H148-A176 HydrophobicContact CB-CB 4.39Å; A176-V178 HydrophobicContact CB-CG1 4.42Å; A176-L191 HydrophobicContact CB-CD1 4.05Å; A176-L191 HydrophobicContact CB-CD2 4Å; A176-F196 HydrophobicContact CB-CD1 3.63Å; A176-F196 HydrophobicContact CB-CD2 4.15Å; A176-F196 HydrophobicContact CB-CE1 3.64Å; A176-F196 HydrophobicContact CB-CE2 4.17Å; A176-F196 HydrophobicContact CB-CG 3.89Å; A176-F196 HydrophobicContact CB-CZ 3.92Å; A176-R198 PolarHBondContact N-O 3.25Å; A176-R199 CarbonylContact O-C 3.56Å; A176-R199 WeakPolarHBondContact O-CA 3.25Å; A176-Y200 PolarHBondContact O-N 2.95Å
177	V	93.6	Very high	79	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	112.9	169.7	178	0	0	0	0	108.6	F102 Q108 F112 I145 I146 H148 R149 Y200	F102-V177 HydrophobicContact CZ-CG2 4.18Å; Q108-V177 HydrophobicContact CG-CG1 3.89Å; F112-V177 HydrophobicContact CE2-CG2 3.8Å; F112-V177 HydrophobicContact CZ-CG2 4.35Å; I145-V177 HydrophobicContact CG2-CG2 3.39Å; I146-V177 PolarHBondContact O-N 3.28Å; H148-V177 CarbonylContact C-O 3.57Å; H148-V177 VanDerWaalsContact CA-O 3.32Å; H148-V177 WeakPolarHBondContact CA-O 3.47Å; H148-V177 VanDerWaalsContact CB-O 3.3Å; H148-V177 WeakPolarHBondContact CB-O 3.02Å; H148-V177 PolarHBondContact N-O 2.98Å; R149-V177 HydrophobicContact CG-CG1 4.24Å; R149-V177 PolarHBondContact N-O 3.24Å; V177-Y200 CarbonylContact C-O 3.47Å; V177-Y200 WeakPolarHBondContact CA-O 3.39Å; V177-Y200 HydrophobicContact CG1-CD1 4.35Å; V177-Y200 HydrophobicContact CG2-CD1 4.28Å
178	V	91.4	Very high	79.7	Confident	20 Å²	20	70.7 Å²	70.7	12%	0.121	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	161.1	-177	-59.8	0	0	0	0	112	H148 A176 L191 R199 Y200 V201 E202	H148-V178 HydrophobicContact CB-CG1 4.19Å; A176-V178 HydrophobicContact CB-CG1 4.42Å; V178-L191 HydrophobicContact CG1-CD1 4.15Å; V178-R199 HydrophobicContact CB-CG 4.35Å; V178-R199 HydrophobicContact CG1-CG 3.81Å; V178-R199 HydrophobicContact CG2-CG 3.57Å; V178-Y200 PolarHBondContact N-O 3.32Å; V178-V201 HydrophobicContact CG2-CB 4.48Å; V178-V201 HydrophobicContact CG2-CG2 3.99Å; V178-E202 PolarHBondContact O-N 3.14Å
179	K	88.1	Confident	80.4	Confident	101 Å²	101	71.9 Å²	71.9	44%	0.439	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-69.6	155.3	174.2	-75.9	-157	155.7	89.6	0	110.9	R149 H150 E202	R149-K179 HydrophobicContact CB-CG 3.62Å; R149-K179 HydrophobicContact CG-CG 3.78Å; R149-K179 PolarHBondContact O-NZ 3.33Å; H150-K179 PolarHBondContact CD2-NZ 3.04Å; H150-K179 PolarHBondContact NE2-NZ 3.18Å; H150-K179 VanDerWaalsContact NE2-NZ 3.14Å; K179-E202 WeakPolarHBondContact CA-OE1 3.4Å; K179-E202 WeakPolarHBondContact CB-OE1 3.29Å; K179-E202 WeakPolarHBondContact CG-OE1 3.45Å
180	R	79.9	Confident	80.9	Confident	137 Å²	137	74.9 Å²	74.9	52%	0.517	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-67.5	127.8	166.9	-165.9	170.3	-59.9	169.1	5.1	109.1	V201 E202	R180-V201 HydrophobicContact CB-CG1 4.1Å; R180-V201 HydrophobicContact CG-CG1 4.23Å; R180-E202 HydrophobicContact CB-CG 4.43Å; R180-E202 PolarHBondContact N-OE1 3.4Å; R180-E202 VanDerWaalsContact N-OE1 3.14Å; R180-E202 PolarHBondContact NH2-O 3.1Å
181	P	72.7	Confident	81.4	Confident	65 Å²	65	69 Å²	69	42%	0.422	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-76.2	135	178.5	30.5	-33.8	0	0	0	110.7	R183	P181-R183 VanDerWaalsContact C-N 3.3Å
182	D	55.3	Low	81.8	Confident	165 Å²	165	72.1 Å²	72.1	88%	0.882	37%	0.367	S	S	*	.	S	Bend	trans	-85.7	-1.4	173.8	-62.5	-49.2	0	0	0	112.9
183	R	57.5	Low	81.7	Confident	231 Å²	231	77.9 Å²	77.9	87%	0.872	40%	0.397	S	S	*	.	S	Bend	trans	-149.4	-163.9	-174.9	-66.1	-166.9	177.2	-164	-1.9	110.2	P181	P181-R183 VanDerWaalsContact C-N 3.3Å
184	E	56.6	Low	81.5	Confident	192 Å²	192	78 Å²	78	90%	0.897	40%	0.398	S	S	*	.	S	Bend	trans	-41.3	140.6	176.5	-65.6	175.4	154.8	0	0	113.5	A186	E184-A186 PolarHBondContact O-N 2.98Å
185	E	64.4	Low	81.3	Confident	133 Å²	133	79 Å²	79	62%	0.621	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-80	116.6	-168.6	-168.4	171.1	169.2	0	0	111.8	S187 R199	E185-S187 PolarHBondContact O-N 3.42Å; E185-R199 IonicContact OE1-CZ 2.77Å; E185-R199 IonicContact OE1-NH1 2.73Å; E185-R199 PolarHBondContact OE1-NH1 3.36Å; E185-R199 IonicContact OE1-NH2 3.95Å; E185-R199 PolarHBondContact OE1-NH2 2.82Å
186	A	70.5	Confident	81.2	Confident	75 Å²	75	79.2 Å²	79.2	62%	0.62	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-65.6	133.5	-179.3	0	0	0	0	0	112.1	E184 R199	E184-A186 PolarHBondContact O-N 2.98Å; A186-R199 PolarHBondContact O-NH1 3.27Å
187	S	78.7	Confident	81.2	Confident	84 Å²	84	82.7 Å²	82.7	59%	0.587	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-53.4	141.2	177.5	178.7	0	0	0	0	112.4	E185 M189 P190	E185-S187 PolarHBondContact O-N 3.42Å; S187-M189 VanDerWaalsContact C-N 3.29Å; S187-M189 PolarHBondContact O-N 3.4Å; S187-M189 PolarHBondContact OG-N 3.24Å; S187-P190 WeakPolarHBondContact O-CD 3.2Å
188	V	85.4	Confident	81.1	Confident	55 Å²	55	86.4 Å²	86.4	33%	0.333	44%	0.442	S	S	.	.	S	Bend	trans	-77.4	-11.9	177.2	-64.4	0	0	0	0	113.6	P190 L191 I192	V188-P190 VanDerWaalsContact C-CD 3.5Å; V188-L191 WeakPolarHBondContact O-CB 3.39Å; V188-L191 PolarHBondContact O-N 2.8Å; V188-I192 HydrophobicContact CB-CD1 4.29Å; V188-I192 HydrophobicContact CG2-CD1 3.72Å; V188-I192 PolarHBondContact O-N 3.39Å; V188-I192 VanDerWaalsContact O-N 3.1Å
189	M	85.5	Confident	81.1	Confident	89 Å²	89	89 Å²	89	44%	0.438	45%	0.45	S	S	.	.	H	α-helix	trans	-59.2	-36.5	-172.4	-70.2	-51.3	-53.8	0	0	115.7	S187 L191 I192 N193	S187-M189 VanDerWaalsContact C-N 3.29Å; S187-M189 PolarHBondContact O-N 3.4Å; S187-M189 PolarHBondContact OG-N 3.24Å; M189-L191 VanDerWaalsContact C-N 3.29Å; M189-L191 PolarHBondContact O-N 2.73Å; M189-I192 HydrophobicContact CE-CB 4.37Å; M189-I192 HydrophobicContact CE-CG2 4.26Å; M189-I192 PolarHBondContact O-N 3.22Å; M189-I192 HydrophobicContact SD-CD1 3.97Å; M189-N193 VanDerWaalsContact O-CB 3.29Å; M189-N193 WeakPolarHBondContact O-CB 3.35Å; M189-N193 PolarHBondContact O-N 3.33Å; M189-N193 PolarHBondContact O-ND2 3Å; M189-N193 PolarHBondContact O-OD1 2.92Å
190	P	86.8	Confident	81.4	Confident	64 Å²	64	85 Å²	85	42%	0.416	43%	0.432	S	S	.	.	H	α-helix	trans	-59	-40.1	173.5	-24.8	35.8	0	0	0	112.7	E157 S187 V188 N193 A194	E157-P190 WeakPolarHBondContact OE1-CB 3.17Å; S187-P190 WeakPolarHBondContact O-CD 3.2Å; V188-P190 VanDerWaalsContact C-CD 3.5Å; P190-N193 PolarHBondContact O-N 3.42Å; P190-A194 WeakPolarHBondContact O-CB 3.36Å; P190-A194 PolarHBondContact O-N 3.27Å
191	L	88.3	Confident	81.9	Confident	15 Å²	15	80.8 Å²	80.8	8%	0.079	42%	0.421	C	S	.	.	H	α-helix	trans	-67.8	-43.8	177.7	-57.3	174.2	0	0	0	111.3	H148 A176 V178 V188 M189 A194 G195 F196 R199	H148-L191 VanDerWaalsContact CD2-CD2 3.42Å; H148-L191 WeakPolarHBondContact CD2-CD2 3.29Å; H148-L191 WeakPolarHBondContact NE2-CD2 3.44Å; A176-L191 HydrophobicContact CB-CD1 4.05Å; A176-L191 HydrophobicContact CB-CD2 4Å; V178-L191 HydrophobicContact CG1-CD1 4.15Å; V188-L191 WeakPolarHBondContact O-CB 3.39Å; V188-L191 PolarHBondContact O-N 2.8Å; M189-L191 VanDerWaalsContact C-N 3.29Å; M189-L191 PolarHBondContact O-N 2.73Å; L191-A194 CarbonylContact O-C 3.51Å; L191-A194 PolarHBondContact O-N 3.43Å; L191-G195 PolarHBondContact O-N 2.62Å; L191-G195 VanDerWaalsContact O-N 3.16Å; L191-F196 HydrophobicContact CB-CB 4.13Å; L191-F196 HydrophobicContact CB-CD2 3.92Å; L191-F196 HydrophobicContact CB-CG 4.36Å; L191-F196 HydrophobicContact CD2-CD2 3.95Å; L191-F196 HydrophobicContact CD2-CE2 4.06Å; L191-F196 WeakPolarHBondContact O-CB 3.42Å; L191-F196 WeakPolarHBondContact O-CD2 3.29Å; L191-F196 PolarHBondContact O-N 2.85Å; L191-R199 HydrophobicContact CD1-CB 3.98Å; L191-R199 HydrophobicContact CD1-CG 3.81Å
192	I	90.7	Very high	82.7	Confident	85 Å²	85	79.9 Å²	79.9	44%	0.436	41%	0.412	S	S	.	.	H	α-helix	trans	-62.8	-44.8	177	-65	173.5	0	0	0	110.2	V188 M189 A194 G195	V188-I192 HydrophobicContact CB-CD1 4.29Å; V188-I192 HydrophobicContact CG2-CD1 3.72Å; V188-I192 PolarHBondContact O-N 3.39Å; V188-I192 VanDerWaalsContact O-N 3.1Å; M189-I192 HydrophobicContact CE-CB 4.37Å; M189-I192 HydrophobicContact CE-CG2 4.26Å; M189-I192 PolarHBondContact O-N 3.22Å; M189-I192 HydrophobicContact SD-CD1 3.97Å; I192-A194 VanDerWaalsContact C-N 3.26Å; I192-A194 PolarHBondContact O-N 3.14Å; I192-G195 WeakPolarHBondContact O-CA 3.28Å; I192-G195 PolarHBondContact O-N 3.48Å
193	N	90.7	Very high	84.3	Confident	123 Å²	123	74.7 Å²	74.7	66%	0.658	38%	0.384	S	S	*	.	H	α-helix	trans	-66.3	-25.6	176.7	-67.2	-7.6	0	0	0	112.9	M189 P190 G195	M189-N193 VanDerWaalsContact O-CB 3.29Å; M189-N193 WeakPolarHBondContact O-CB 3.35Å; M189-N193 PolarHBondContact O-N 3.33Å; M189-N193 PolarHBondContact O-ND2 3Å; M189-N193 PolarHBondContact O-OD1 2.92Å; P190-N193 PolarHBondContact O-N 3.42Å; N193-G195 VanDerWaalsContact C-N 3.29Å
194	A	90	Very high	85.3	Confident	2 Å²	2	69.1 Å²	69.1	2%	0.017	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-8.4	169.7	0	0	0	0	0	113.7	E157 C160 R161 P190 L191 I192 F196	E157-A194 HydrophobicContact CB-CB 3.62Å; E157-A194 HydrophobicContact CG-CB 3.75Å; C160-A194 CarbonylContact C-O 3.48Å; C160-A194 PolarHBondContact SG-O 2.86Å; R161-A194 HydrophobicContact CG-CB 4.3Å; R161-A194 PolarHBondContact N-O 3.34Å; P190-A194 WeakPolarHBondContact O-CB 3.36Å; P190-A194 PolarHBondContact O-N 3.27Å; L191-A194 CarbonylContact O-C 3.51Å; L191-A194 PolarHBondContact O-N 3.43Å; I192-A194 VanDerWaalsContact C-N 3.26Å; I192-A194 PolarHBondContact O-N 3.14Å; A194-F196 HydrophobicContact CB-CD2 4.2Å; A194-F196 HydrophobicContact CB-CE2 4.41Å
195	G	90.7	Very high	86.8	Confident	21 Å²	21	64.2 Å²	64.2	22%	0.216	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.2	12.7	176.7	0	0	0	0	0	115.7	R164 L191 I192 N193	R164-G195 PolarHBondContact NE-O 2.86Å; R164-G195 PolarHBondContact NH2-O 2.75Å; L191-G195 PolarHBondContact O-N 2.62Å; L191-G195 VanDerWaalsContact O-N 3.16Å; I192-G195 WeakPolarHBondContact O-CA 3.28Å; I192-G195 PolarHBondContact O-N 3.48Å; N193-G195 VanDerWaalsContact C-N 3.29Å
196	F	93.8	Very high	88	Confident	7 Å²	7	61.7 Å²	61.7	3%	0.031	35%	0.345	C	S	.	.			trans	-72.4	140.4	172.4	-72.2	-79.3	0	0	0	111.2	I146 A156 C160 I174 A176 L191 A194	I146-F196 HydrophobicContact CB-CE1 3.99Å; I146-F196 HydrophobicContact CB-CZ 4.22Å; I146-F196 HydrophobicContact CD1-CE1 3.76Å; I146-F196 HydrophobicContact CD1-CZ 3.99Å; I146-F196 HydrophobicContact CG1-CE1 4.06Å; A156-F196 HydrophobicContact CB-CZ 4.43Å; A156-F196 WeakPolarHBondContact O-CZ 3.37Å; C160-F196 HydrophobicContact CB-CD2 4.04Å; C160-F196 HydrophobicContact CB-CE1 4.12Å; C160-F196 HydrophobicContact CB-CE2 3.59Å; C160-F196 HydrophobicContact CB-CG 4.49Å; C160-F196 HydrophobicContact CB-CZ 3.64Å; I174-F196 HydrophobicContact CB-CD1 4.31Å; I174-F196 HydrophobicContact CG2-CD1 3.63Å; I174-F196 HydrophobicContact CG2-CE1 3.71Å; A176-F196 HydrophobicContact CB-CD1 3.63Å; A176-F196 HydrophobicContact CB-CD2 4.15Å; A176-F196 HydrophobicContact CB-CE1 3.64Å; A176-F196 HydrophobicContact CB-CE2 4.17Å; A176-F196 HydrophobicContact CB-CG 3.89Å; A176-F196 HydrophobicContact CB-CZ 3.92Å; L191-F196 HydrophobicContact CB-CB 4.13Å; L191-F196 HydrophobicContact CB-CD2 3.92Å; L191-F196 HydrophobicContact CB-CG 4.36Å; L191-F196 HydrophobicContact CD2-CD2 3.95Å; L191-F196 HydrophobicContact CD2-CE2 4.06Å; L191-F196 WeakPolarHBondContact O-CB 3.42Å; L191-F196 WeakPolarHBondContact O-CD2 3.29Å; L191-F196 PolarHBondContact O-N 2.85Å; A194-F196 HydrophobicContact CB-CD2 4.2Å; A194-F196 HydrophobicContact CB-CE2 4.41Å
197	N	93.9	Very high	89	Confident	73 Å²	73	62 Å²	62	39%	0.39	34%	0.335	S	S	.	.	S	Bend	trans	-84.9	-28.9	174.4	-60.2	104.6	0	0	0	112.7	R164 T172 V173 I174	R164-N197 PolarHBondContact NH2-OD1 2.93Å; T172-N197 PolarHBondContact O-OD1 3.28Å; V173-N197 WeakPolarHBondContact CA-OD1 3.27Å; V173-N197 HydrophobicContact CG1-CB 4.17Å; I174-N197 PolarHBondContact N-OD1 3.47Å; I174-N197 PolarHBondContact O-N 2.85Å
198	R	92.5	Very high	89.5	Confident	78 Å²	78	59 Å²	59	29%	0.294	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	152.2	-170.4	-161.8	-179	175.6	100.9	-4	111.8	V175 A176 E212 E220	V175-R198 WeakPolarHBondContact CA-O 3.18Å; V175-R198 HydrophobicContact CG1-CB 4.36Å; V175-R198 HydrophobicContact CG2-CB 4.3Å; A176-R198 PolarHBondContact N-O 3.25Å; R198-E212 IonicContact CZ-OE1 3.75Å; R198-E212 IonicContact NE-OE1 3.37Å; R198-E212 PolarHBondContact NE-OE1 3.26Å; R198-E212 IonicContact NH2-OE1 3.93Å; R198-E212 PolarHBondContact NH2-OE1 3.06Å; R198-E212 IonicContact NH2-OE2 3.09Å; R198-E220 WeakPolarHBondContact CD-OE1 3.4Å; R198-E220 IonicContact CZ-OE1 2.63Å; R198-E220 IonicContact NE-OE1 2.74Å; R198-E220 IonicContact NH1-OE1 2.94Å; R198-E220 PolarHBondContact NH1-OE1 3.01Å
199	R	92	Very high	89.7	Confident	74 Å²	74	56.4 Å²	56.4	28%	0.279	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	118.9	176.3	178.5	-164.5	63.6	163.9	8.1	109.5	A176 V178 E185 A186 L191	A176-R199 CarbonylContact O-C 3.56Å; A176-R199 WeakPolarHBondContact O-CA 3.25Å; V178-R199 HydrophobicContact CB-CG 4.35Å; V178-R199 HydrophobicContact CG1-CG 3.81Å; V178-R199 HydrophobicContact CG2-CG 3.57Å; E185-R199 IonicContact OE1-CZ 2.77Å; E185-R199 IonicContact OE1-NH1 2.73Å; E185-R199 PolarHBondContact OE1-NH1 3.36Å; E185-R199 IonicContact OE1-NH2 3.95Å; E185-R199 PolarHBondContact OE1-NH2 2.82Å; A186-R199 PolarHBondContact O-NH1 3.27Å; L191-R199 HydrophobicContact CD1-CB 3.98Å; L191-R199 HydrophobicContact CD1-CG 3.81Å
200	Y	92.8	Very high	90.1	Very high	16 Å²	16	54.4 Å²	54.4	6%	0.063	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	124.8	174.3	-178.3	-99.1	0	0	0	110.4	F112 A176 V177 V178 E212	F112-Y200 HydrophobicContact CE2-CD1 4.03Å; F112-Y200 AromaticContact CE2-CE1 3.94Å; F112-Y200 HydrophobicContact CE2-CE1 3.94Å; F112-Y200 AromaticContact CZ-CD1 3.7Å; F112-Y200 HydrophobicContact CZ-CD1 3.7Å; F112-Y200 AromaticContact CZ-CE1 3.64Å; F112-Y200 HydrophobicContact CZ-CE1 3.64Å; F112-Y200 HydrophobicContact CZ-CG 4.17Å; A176-Y200 PolarHBondContact O-N 2.95Å; V177-Y200 CarbonylContact C-O 3.47Å; V177-Y200 WeakPolarHBondContact CA-O 3.39Å; V177-Y200 HydrophobicContact CG1-CD1 4.35Å; V177-Y200 HydrophobicContact CG2-CD1 4.28Å; V178-Y200 PolarHBondContact N-O 3.32Å; Y200-E212 HydrophobicContact CD2-CB 4.09Å; Y200-E212 HydrophobicContact CD2-CG 3.51Å; Y200-E212 HydrophobicContact CE2-CB 3.74Å; Y200-E212 HydrophobicContact CE2-CG 3.73Å; Y200-E212 HydrophobicContact CG-CG 4.49Å
201	V	91.1	Very high	90.4	Very high	49 Å²	49	55.1 Å²	55.1	30%	0.297	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.6	177.9	-176.8	0	0	0	0	109.7	V178 R180 N203	V178-V201 HydrophobicContact CG2-CB 4.48Å; V178-V201 HydrophobicContact CG2-CG2 3.99Å; R180-V201 HydrophobicContact CB-CG1 4.1Å; R180-V201 HydrophobicContact CG-CG1 4.23Å; V201-N203 PolarHBondContact O-N 2.96Å
202	E	89.7	Confident	90.6	Very high	46 Å²	46	55.3 Å²	55.3	22%	0.215	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-56.2	138.4	-171.4	78.5	-169.8	136.7	0	0	114.4	Q108 R149 V178 K179 R180	Q108-E202 VanDerWaalsContact OE1-CA 3.31Å; R149-E202 WeakPolarHBondContact CD-OE2 3.46Å; R149-E202 IonicContact NH1-OE2 2.78Å; R149-E202 PolarHBondContact NH1-OE2 2.87Å; V178-E202 PolarHBondContact O-N 3.14Å; K179-E202 WeakPolarHBondContact CA-OE1 3.4Å; K179-E202 WeakPolarHBondContact CB-OE1 3.29Å; K179-E202 WeakPolarHBondContact CG-OE1 3.45Å; R180-E202 HydrophobicContact CB-CG 4.43Å; R180-E202 PolarHBondContact N-OE1 3.4Å; R180-E202 VanDerWaalsContact N-OE1 3.14Å; R180-E202 PolarHBondContact NH2-O 3.1Å
203	N	87.9	Confident	90.7	Very high	56 Å²	56	51.2 Å²	51.2	30%	0.299	27%	0.268	S	S	.	.			trans	-147.2	119.6	-174.5	-164.6	-21.9	0	0	0	111	Q108 V201 N205 A208	Q108-N203 PolarHBondContact OE1-O 2.73Å; V201-N203 PolarHBondContact O-N 2.96Å; N203-N205 PolarHBondContact O-N 2.85Å; N203-N205 WeakPolarHBondContact OD1-CB 3.37Å; N203-N205 PolarHBondContact OD1-N 2.87Å; N203-N205 VanDerWaalsContact OD1-N 3.1Å; N203-A208 HydrophobicContact CB-CB 4.15Å; N203-A208 WeakPolarHBondContact ND2-CB 3.33Å
204	V	78.9	Confident	90.7	Very high	115 Å²	115	48 Å²	48	70%	0.697	25%	0.25	S	C	*	.	S	Bend	trans	-68.8	-8.1	178.8	-82.1	0	0	0	0	114.4	L206	V204-L206 PolarHBondContact O-N 2.96Å
205	N	88.6	Confident	90.8	Very high	89 Å²	89	52.8 Å²	52.8	48%	0.476	27%	0.272	S	S	.	.			trans	-82	115.1	175.5	-172.8	-14.7	0	0	0	111.4	N203 M207 A208	N203-N205 PolarHBondContact O-N 2.85Å; N203-N205 WeakPolarHBondContact OD1-CB 3.37Å; N203-N205 PolarHBondContact OD1-N 2.87Å; N203-N205 VanDerWaalsContact OD1-N 3.1Å; N205-M207 PolarHBondContact O-N 2.9Å; N205-M207 WeakPolarHBondContact OD1-CB 3.29Å; N205-M207 PolarHBondContact OD1-N 3.09Å; N205-A208 HydrophobicContact CB-CB 4.17Å; N205-A208 WeakPolarHBondContact O-CB 3.27Å; N205-A208 PolarHBondContact O-N 2.95Å
206	L	90.3	Very high	90.8	Very high	79 Å²	79	51.8 Å²	51.8	41%	0.414	26%	0.262	S	S	.	.	H	α-helix	trans	-52.4	-37	175.3	-58.4	176.3	0	0	0	112.7	W114 V204 A208 C209 Y210	W114-L206 HydrophobicContact CD2-CB 4.49Å; W114-L206 HydrophobicContact CE3-CB 3.82Å; W114-L206 HydrophobicContact CH2-CB 4.33Å; W114-L206 HydrophobicContact CZ3-CB 3.74Å; V204-L206 PolarHBondContact O-N 2.96Å; L206-A208 VanDerWaalsContact C-N 3.31Å; L206-A208 PolarHBondContact O-N 3.33Å; L206-C209 WeakPolarHBondContact O-CB 3.29Å; L206-C209 PolarHBondContact O-N 3.34Å; L206-Y210 PolarHBondContact O-N 2.97Å
207	M	89.9	Confident	90.7	Very high	83 Å²	83	53 Å²	53	41%	0.409	27%	0.268	S	S	.	.	H	α-helix	trans	-71.9	-23.9	179.6	-154.7	71.7	78.1	0	0	112.7	W114 K118 N205 Y210 N211	W114-M207 HydrophobicContact CH2-SD 4.44Å; K118-M207 PolarHBondContact NZ-SD 3.09Å; N205-M207 PolarHBondContact O-N 2.9Å; N205-M207 WeakPolarHBondContact OD1-CB 3.29Å; N205-M207 PolarHBondContact OD1-N 3.09Å; M207-Y210 PolarHBondContact O-N 2.87Å; M207-Y210 HydrophobicContact SD-CD1 3.91Å; M207-Y210 HydrophobicContact SD-CG 4.44Å; M207-N211 WeakPolarHBondContact O-CB 3.23Å; M207-N211 PolarHBondContact O-N 3.43Å; M207-N211 PolarHBondContact O-OD1 2.81Å
208	A	89.4	Confident	90.4	Very high	20 Å²	20	54.8 Å²	54.8	17%	0.165	27%	0.273	C	S	.	.	H	α-helix	trans	-68.6	-38.5	173.1	0	0	0	0	0	111.3	N203 N205 L206 N211 E212	N203-A208 HydrophobicContact CB-CB 4.15Å; N203-A208 WeakPolarHBondContact ND2-CB 3.33Å; N205-A208 HydrophobicContact CB-CB 4.17Å; N205-A208 WeakPolarHBondContact O-CB 3.27Å; N205-A208 PolarHBondContact O-N 2.95Å; L206-A208 VanDerWaalsContact C-N 3.31Å; L206-A208 PolarHBondContact O-N 3.33Å; A208-N211 PolarHBondContact O-N 2.62Å; A208-E212 WeakPolarHBondContact O-CB 3.4Å; A208-E212 PolarHBondContact O-N 3.25Å
209	C	91.2	Very high	90.2	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.007	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-42.5	174	-53.2	0	0	0	0	111.1	Q108 G111 F112 A115 L206 E212 L213	Q108-C209 PolarHBondContact NE2-SG 3.34Å; G111-C209 WeakPolarHBondContact O-CB 3.33Å; F112-C209 HydrophobicContact CD1-CB 4Å; F112-C209 HydrophobicContact CE1-CB 4.08Å; F112-C209 HydrophobicContact CG-CB 4.37Å; A115-C209 HydrophobicContact CB-CB 4.14Å; L206-C209 WeakPolarHBondContact O-CB 3.29Å; L206-C209 PolarHBondContact O-N 3.34Å; C209-E212 PolarHBondContact O-N 3.35Å; C209-L213 WeakPolarHBondContact O-CG 3.49Å; C209-L213 PolarHBondContact O-N 2.97Å
210	Y	93	Very high	90.1	Very high	46 Å²	46	51.9 Å²	51.9	18%	0.18	28%	0.276	C	S	.	.	H	α-helix	trans	-65.1	-44.6	176.5	-177.5	-102.2	0	0	0	113.1	A115 K118 A119 L206 M207 E212 L213 L214	A115-Y210 HydrophobicContact CB-CD2 4.38Å; K118-Y210 HydrophobicContact CB-CD2 4.16Å; K118-Y210 HydrophobicContact CB-CE2 4.01Å; K118-Y210 HydrophobicContact CD-CD2 3.66Å; K118-Y210 HydrophobicContact CD-CE1 4.48Å; K118-Y210 HydrophobicContact CD-CE2 3.58Å; K118-Y210 HydrophobicContact CD-CG 4.16Å; K118-Y210 HydrophobicContact CG-CD2 4.04Å; K118-Y210 HydrophobicContact CG-CE2 3.6Å; K118-Y210 VanDerWaalsContact NZ-CD1 3.26Å; A119-Y210 HydrophobicContact CB-CE2 4.1Å; L206-Y210 PolarHBondContact O-N 2.97Å; M207-Y210 PolarHBondContact O-N 2.87Å; M207-Y210 HydrophobicContact SD-CD1 3.91Å; M207-Y210 HydrophobicContact SD-CG 4.44Å; Y210-E212 VanDerWaalsContact C-N 3.34Å; Y210-E212 PolarHBondContact O-N 3.46Å; Y210-L213 PolarHBondContact O-N 2.76Å; Y210-L214 HydrophobicContact CD1-CD1 3.95Å; Y210-L214 HydrophobicContact CE1-CD1 3.41Å; Y210-L214 VanDerWaalsContact CE1-CD1 3.41Å; Y210-L214 HydrophobicContact CE1-CG 4.3Å; Y210-L214 WeakPolarHBondContact O-CG 3.3Å; Y210-L214 PolarHBondContact O-N 2.68Å; Y210-L214 VanDerWaalsContact O-N 3.07Å
211	N	92.1	Very high	90	Very high	79 Å²	79	51.2 Å²	51.2	42%	0.422	27%	0.274	S	S	.	.	H	α-helix	trans	-68.4	-32.4	178.3	-69.2	-1.8	0	0	0	112.3	M207 A208 Q215	M207-N211 WeakPolarHBondContact O-CB 3.23Å; M207-N211 PolarHBondContact O-N 3.43Å; M207-N211 PolarHBondContact O-OD1 2.81Å; A208-N211 PolarHBondContact O-N 2.62Å; N211-Q215 WeakPolarHBondContact O-CG 3.25Å; N211-Q215 PolarHBondContact O-N 3.43Å; N211-Q215 PolarHBondContact O-NE2 3.16Å
212	E	93	Very high	89.8	Confident	19 Å²	19	53.4 Å²	53.4	9%	0.089	28%	0.276	C	S	.	.	H	α-helix	trans	-68.6	-45.8	173.8	-171.1	72.8	171.9	0	0	111.5	R198 Y200 A208 C209 Y210 L214 Q215 L216	R198-E212 IonicContact CZ-OE1 3.75Å; R198-E212 IonicContact NE-OE1 3.37Å; R198-E212 PolarHBondContact NE-OE1 3.26Å; R198-E212 IonicContact NH2-OE1 3.93Å; R198-E212 PolarHBondContact NH2-OE1 3.06Å; R198-E212 IonicContact NH2-OE2 3.09Å; Y200-E212 HydrophobicContact CD2-CB 4.09Å; Y200-E212 HydrophobicContact CD2-CG 3.51Å; Y200-E212 HydrophobicContact CE2-CB 3.74Å; Y200-E212 HydrophobicContact CE2-CG 3.73Å; Y200-E212 HydrophobicContact CG-CG 4.49Å; A208-E212 WeakPolarHBondContact O-CB 3.4Å; A208-E212 PolarHBondContact O-N 3.25Å; C209-E212 PolarHBondContact O-N 3.35Å; Y210-E212 VanDerWaalsContact C-N 3.34Å; Y210-E212 PolarHBondContact O-N 3.46Å; E212-L214 VanDerWaalsContact C-N 3.32Å; E212-L214 PolarHBondContact O-N 2.8Å; E212-Q215 PolarHBondContact O-N 2.9Å; E212-Q215 VanDerWaalsContact O-N 3.17Å; E212-L216 HydrophobicContact CG-CD1 3.97Å; E212-L216 WeakPolarHBondContact O-CB 3.44Å; E212-L216 WeakPolarHBondContact O-CG 3.27Å; E212-L216 PolarHBondContact O-N 2.95Å
213	L	92.9	Very high	89.7	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.8	-41.4	176.4	-79	-171.8	0	0	0	112.6	F112 A115 C116 Y121 L143 I145 C209 Y210 L216 E217	F112-L213 HydrophobicContact CD1-CD1 4.38Å; F112-L213 HydrophobicContact CD1-CD2 4.3Å; F112-L213 HydrophobicContact CD1-CG 4.15Å; F112-L213 HydrophobicContact CE1-CD2 4.49Å; F112-L213 HydrophobicContact CE1-CG 4.4Å; A115-L213 HydrophobicContact CB-CD1 3.64Å; C116-L213 VanDerWaalsContact SG-CD1 3.59Å; Y121-L213 HydrophobicContact CD2-CD1 4.41Å; Y121-L213 HydrophobicContact CE2-CB 4.16Å; Y121-L213 HydrophobicContact CE2-CD1 4.38Å; L143-L213 HydrophobicContact CD2-CD2 3.58Å; I145-L213 HydrophobicContact CD1-CD2 3.74Å; C209-L213 WeakPolarHBondContact O-CG 3.49Å; C209-L213 PolarHBondContact O-N 2.97Å; Y210-L213 PolarHBondContact O-N 2.76Å; L213-L216 HydrophobicContact CD2-CD1 4.47Å; L213-L216 PolarHBondContact O-N 2.84Å; L213-E217 WeakPolarHBondContact O-CB 3.11Å; L213-E217 PolarHBondContact O-N 2.9Å
214	L	91	Very high	89.7	Confident	54 Å²	54	53.2 Å²	53.2	28%	0.283	28%	0.284	S	S	.	.	H	α-helix	trans	-65.3	-38.6	175.4	-73.9	176.9	0	0	0	112.9	Y210 E212 E217 H218	Y210-L214 HydrophobicContact CD1-CD1 3.95Å; Y210-L214 HydrophobicContact CE1-CD1 3.41Å; Y210-L214 VanDerWaalsContact CE1-CD1 3.41Å; Y210-L214 HydrophobicContact CE1-CG 4.3Å; Y210-L214 WeakPolarHBondContact O-CG 3.3Å; Y210-L214 PolarHBondContact O-N 2.68Å; Y210-L214 VanDerWaalsContact O-N 3.07Å; E212-L214 VanDerWaalsContact C-N 3.32Å; E212-L214 PolarHBondContact O-N 2.8Å; L214-E217 PolarHBondContact O-N 3.3Å; L214-H218 PolarHBondContact O-N 3Å; L214-H218 VanDerWaalsContact O-N 3.16Å; L214-H218 PolarHBondContact O-ND1 3.11Å
215	Q	91.4	Very high	90	Very high	103 Å²	103	49.5 Å²	49.5	48%	0.481	26%	0.258	S	S	.	.	H	α-helix	trans	-65.2	-49	175.3	-77.6	169.5	88.4	0	0	111.1	N211 E212 E217 H218 G219	N211-Q215 WeakPolarHBondContact O-CG 3.25Å; N211-Q215 PolarHBondContact O-N 3.43Å; N211-Q215 PolarHBondContact O-NE2 3.16Å; E212-Q215 PolarHBondContact O-N 2.9Å; E212-Q215 VanDerWaalsContact O-N 3.17Å; Q215-E217 VanDerWaalsContact C-N 3.27Å; Q215-E217 PolarHBondContact O-N 3.42Å; Q215-H218 PolarHBondContact O-N 2.96Å; Q215-H218 VanDerWaalsContact O-N 3.12Å; Q215-G219 PolarHBondContact O-N 2.65Å
216	L	92.4	Very high	89.9	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-56	-41.1	175.4	-76.1	163.3	0	0	0	112.1	L143 V173 V175 E212 L213 V221	L143-L216 HydrophobicContact CD1-CD1 4.19Å; L143-L216 HydrophobicContact CD1-CD2 4.44Å; L143-L216 HydrophobicContact CD2-CB 4.47Å; L143-L216 HydrophobicContact CD2-CD1 4.23Å; V173-L216 HydrophobicContact CG1-CD2 4.02Å; V175-L216 HydrophobicContact CG2-CD1 3.98Å; V175-L216 HydrophobicContact CG2-CD2 3.83Å; E212-L216 HydrophobicContact CG-CD1 3.97Å; E212-L216 WeakPolarHBondContact O-CB 3.44Å; E212-L216 WeakPolarHBondContact O-CG 3.27Å; E212-L216 PolarHBondContact O-N 2.95Å; L213-L216 HydrophobicContact CD2-CD1 4.47Å; L213-L216 PolarHBondContact O-N 2.84Å; L216-V221 VanDerWaalsContact O-CB 3.29Å; L216-V221 WeakPolarHBondContact O-CB 3.31Å; L216-V221 VanDerWaalsContact O-CG2 3.3Å; L216-V221 WeakPolarHBondContact O-CG2 3.41Å; L216-V221 PolarHBondContact O-N 2.94Å
217	E	90.6	Very high	89.6	Confident	33 Å²	33	49.3 Å²	49.3	15%	0.154	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-44.6	176.2	177.2	170.5	-135.3	0	0	112.4	K93 Y121 L213 L214 Q215 R222	K93-E217 IonicContact NZ-OE1 2.87Å; K93-E217 PolarHBondContact NZ-OE1 2.78Å; Y121-E217 WeakPolarHBondContact OH-CB 3.32Å; Y121-E217 PolarHBondContact OH-OE2 3.3Å; L213-E217 WeakPolarHBondContact O-CB 3.11Å; L213-E217 PolarHBondContact O-N 2.9Å; L214-E217 PolarHBondContact O-N 3.3Å; Q215-E217 VanDerWaalsContact C-N 3.27Å; Q215-E217 PolarHBondContact O-N 3.42Å; E217-R222 WeakPolarHBondContact O-CB 3.32Å; E217-R222 PolarHBondContact O-N 2.93Å
218	H	87.9	Confident	89.2	Confident	109 Å²	109	48.5 Å²	48.5	51%	0.505	25%	0.246	S	C	.	.	H	α-helix	trans	-87.7	-25	-171.5	-72.2	73.7	0	0	0	113.6	L214 Q215 R222	L214-H218 PolarHBondContact O-N 3Å; L214-H218 VanDerWaalsContact O-N 3.16Å; L214-H218 PolarHBondContact O-ND1 3.11Å; Q215-H218 PolarHBondContact O-N 2.96Å; Q215-H218 VanDerWaalsContact O-N 3.12Å; H218-R222 WeakPolarHBondContact O-CB 3.38Å
219	G	88.9	Confident	89	Confident	36 Å²	36	48 Å²	48	37%	0.371	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-102.5	174.5	0	0	0	0	0	112.2	Q215 V221 R222 A223	Q215-G219 PolarHBondContact O-N 2.65Å; G219-V221 PolarHBondContact O-N 3.35Å; G219-R222 PolarHBondContact O-N 3.34Å; G219-R222 VanDerWaalsContact O-N 3.12Å; G219-A223 PolarHBondContact O-N 2.87Å
220	E	89.7	Confident	88.7	Confident	56 Å²	56	49 Å²	49	26%	0.262	25%	0.249	S	C	.	.	H	α-helix	trans	-56.4	-47.1	-167.6	-65	90.9	149.3	0	0	113	V173 R198 R222 A223 Q224	V173-E220 HydrophobicContact CG1-CB 4.1Å; V173-E220 HydrophobicContact CG2-CB 3.85Å; R198-E220 WeakPolarHBondContact CD-OE1 3.4Å; R198-E220 IonicContact CZ-OE1 2.63Å; R198-E220 IonicContact NE-OE1 2.74Å; R198-E220 IonicContact NH1-OE1 2.94Å; R198-E220 PolarHBondContact NH1-OE1 3.01Å; E220-R222 VanDerWaalsContact C-N 3.34Å; E220-R222 PolarHBondContact O-N 3.04Å; E220-A223 WeakPolarHBondContact O-CB 3.48Å; E220-A223 PolarHBondContact O-N 3.32Å; E220-Q224 WeakPolarHBondContact O-CG 3.31Å; E220-Q224 PolarHBondContact O-N 3.47Å
221	V	89.9	Confident	88.3	Confident	2 Å²	2	50.9 Å²	50.9	1%	0.012	26%	0.262	C	S	.	.	H	α-helix	trans	-65.4	-39	-179.9	175.5	0	0	0	0	111.1	L96 D142 L143 V173 L216 G219 A223 Q224 F225	L96-V221 HydrophobicContact CD1-CG1 3.69Å; D142-V221 HydrophobicContact CB-CG1 4.2Å; L143-V221 HydrophobicContact CB-CG2 4.45Å; V173-V221 HydrophobicContact CB-CG2 4.08Å; V173-V221 HydrophobicContact CG2-CB 4.39Å; V173-V221 HydrophobicContact CG2-CG2 3.66Å; L216-V221 VanDerWaalsContact O-CB 3.29Å; L216-V221 WeakPolarHBondContact O-CB 3.31Å; L216-V221 VanDerWaalsContact O-CG2 3.3Å; L216-V221 WeakPolarHBondContact O-CG2 3.41Å; L216-V221 PolarHBondContact O-N 2.94Å; G219-V221 PolarHBondContact O-N 3.35Å; V221-A223 VanDerWaalsContact C-N 3.33Å; V221-Q224 PolarHBondContact O-N 2.91Å; V221-F225 WeakPolarHBondContact O-CB 3.39Å; V221-F225 PolarHBondContact O-N 2.69Å
222	R	87.9	Confident	87.9	Confident	95 Å²	95	49.8 Å²	49.8	36%	0.358	26%	0.264	S	S	.	.	H	α-helix	trans	-69.7	-31.2	177.6	-165.6	173.5	-171.8	176	4.2	112.2	E217 H218 G219 E220 K226	E217-R222 WeakPolarHBondContact O-CB 3.32Å; E217-R222 PolarHBondContact O-N 2.93Å; H218-R222 WeakPolarHBondContact O-CB 3.38Å; G219-R222 PolarHBondContact O-N 3.34Å; G219-R222 VanDerWaalsContact O-N 3.12Å; E220-R222 VanDerWaalsContact C-N 3.34Å; E220-R222 PolarHBondContact O-N 3.04Å; R222-K226 WeakPolarHBondContact O-CG 3.36Å; R222-K226 PolarHBondContact O-N 3.2Å; R222-K226 VanDerWaalsContact O-N 3.16Å
223	A	87.5	Confident	87.7	Confident	58 Å²	58	52.2 Å²	52.2	48%	0.479	28%	0.277	S	S	.	.	H	α-helix	trans	-65.7	-49.4	171.4	0	0	0	0	0	110.9	G219 E220 V221 F225 K226 L227	G219-A223 PolarHBondContact O-N 2.87Å; E220-A223 WeakPolarHBondContact O-CB 3.48Å; E220-A223 PolarHBondContact O-N 3.32Å; V221-A223 VanDerWaalsContact C-N 3.33Å; A223-F225 VanDerWaalsContact C-N 3.32Å; A223-F225 PolarHBondContact O-N 3.07Å; A223-K226 PolarHBondContact O-N 2.57Å; A223-K226 VanDerWaalsContact O-N 3.15Å; A223-L227 PolarHBondContact O-N 2.9Å
224	Q	87.7	Confident	87.4	Confident	40 Å²	40	57.9 Å²	57.9	19%	0.187	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-34.6	176.6	-64.8	-62.6	-9.7	0	0	113	N171 V173 E220 V221 L227 R228	N171-Q224 HydrophobicContact CB-CB 4.36Å; N171-Q224 VanDerWaalsContact O-CB 3.28Å; N171-Q224 WeakPolarHBondContact O-CB 3.18Å; N171-Q224 PolarHBondContact OD1-OE1 2.91Å; V173-Q224 HydrophobicContact CG2-CG 4.12Å; E220-Q224 WeakPolarHBondContact O-CG 3.31Å; E220-Q224 PolarHBondContact O-N 3.47Å; V221-Q224 PolarHBondContact O-N 2.91Å; Q224-L227 PolarHBondContact O-N 3.11Å; Q224-R228 WeakPolarHBondContact O-CG 3.35Å; Q224-R228 PolarHBondContact O-N 2.96Å
225	F	85.2	Confident	87.2	Confident	36 Å²	36	59.5 Å²	59.5	16%	0.158	31%	0.314	C	S	.	.	H	α-helix	trans	-65.5	-38.2	173.7	-173.9	-114.8	0	0	0	112.7	V84 L91 K93 V221 A223 A229	V84-F225 HydrophobicContact CB-CD1 4.42Å; V84-F225 HydrophobicContact CB-CE1 4.1Å; V84-F225 HydrophobicContact CG1-CD1 4.35Å; V84-F225 HydrophobicContact CG1-CE1 4.47Å; V84-F225 HydrophobicContact CG2-CE1 4.31Å; L91-F225 HydrophobicContact CB-CE1 3.56Å; L91-F225 HydrophobicContact CB-CZ 3.86Å; L91-F225 HydrophobicContact CD1-CD1 4.2Å; L91-F225 HydrophobicContact CD1-CE1 3.87Å; L91-F225 HydrophobicContact CD1-CZ 4.5Å; L91-F225 HydrophobicContact CG-CE1 4.31Å; K93-F225 HydrophobicContact CB-CE1 4.42Å; K93-F225 HydrophobicContact CB-CZ 4.34Å; K93-F225 HydrophobicContact CG-CZ 4.47Å; V221-F225 WeakPolarHBondContact O-CB 3.39Å; V221-F225 PolarHBondContact O-N 2.69Å; A223-F225 VanDerWaalsContact C-N 3.32Å; A223-F225 PolarHBondContact O-N 3.07Å; F225-A229 PolarHBondContact O-N 2.93Å
226	K	85.6	Confident	87	Confident	77 Å²	77	57.8 Å²	57.8	34%	0.335	32%	0.317	S	S	.	.	H	α-helix	trans	-68.2	-39.1	171.4	-72.5	174	177.4	179.6	0	112	F86 R222 A223 A229 S230	F86-K226 HydrophobicContact CD2-CB 4.25Å; F86-K226 HydrophobicContact CD2-CD 4.2Å; F86-K226 HydrophobicContact CD2-CG 4.06Å; F86-K226 HydrophobicContact CE2-CB 4.32Å; F86-K226 HydrophobicContact CG-CG 4.48Å; R222-K226 WeakPolarHBondContact O-CG 3.36Å; R222-K226 PolarHBondContact O-N 3.2Å; R222-K226 VanDerWaalsContact O-N 3.16Å; A223-K226 PolarHBondContact O-N 2.57Å; A223-K226 VanDerWaalsContact O-N 3.15Å; K226-A229 WeakPolarHBondContact O-CA 3.35Å; K226-A229 WeakPolarHBondContact O-CB 3.42Å; K226-A229 PolarHBondContact O-N 3.33Å; K226-A229 VanDerWaalsContact O-N 3.09Å; K226-S230 PolarHBondContact O-N 3.06Å; K226-S230 PolarHBondContact O-OG 3.36Å
227	L	84.8	Confident	86.9	Confident	87 Å²	87	59.9 Å²	59.9	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-62	-44.6	177.5	-172.1	61.2	0	0	0	111.6	A223 Q224 A229 S230 N231	A223-L227 PolarHBondContact O-N 2.9Å; Q224-L227 PolarHBondContact O-N 3.11Å; L227-A229 VanDerWaalsContact C-N 3.25Å; L227-A229 PolarHBondContact O-N 2.86Å; L227-S230 VanDerWaalsContact O-CB 3.32Å; L227-S230 WeakPolarHBondContact O-CB 3.17Å; L227-S230 PolarHBondContact O-N 3.13Å; L227-S230 VanDerWaalsContact O-N 3.08Å; L227-N231 PolarHBondContact O-N 3.08Å
228	R	82	Confident	86.7	Confident	67 Å²	67	61.6 Å²	61.6	25%	0.253	34%	0.336	S	S	.	.	H	α-helix	trans	-55	-39	170.2	-74.6	-172.9	-83.5	169.5	-5.6	112.8	H140 D142 N171 Q224 N231	H140-R228 PolarHBondContact CE1-NH1 2.81Å; H140-R228 PolarHBondContact NE2-NH1 2.88Å; D142-R228 IonicContact OD1-CZ 3.63Å; D142-R228 IonicContact OD1-NH1 3.45Å; D142-R228 PolarHBondContact OD1-NH1 3.44Å; D142-R228 IonicContact OD1-NH2 3.64Å; D142-R228 PolarHBondContact OD1-NH2 3Å; N171-R228 HydrophobicContact CB-CG 3.7Å; N171-R228 VanDerWaalsContact CG-CG 3.4Å; N171-R228 VanDerWaalsContact OD1-CG 3.29Å; N171-R228 WeakPolarHBondContact OD1-CG 3.38Å; Q224-R228 WeakPolarHBondContact O-CG 3.35Å; Q224-R228 PolarHBondContact O-N 2.96Å; R228-N231 PolarHBondContact O-N 3.42Å
229	A	84.3	Confident	86.8	Confident	10 Å²	10	63.6 Å²	63.6	8%	0.083	35%	0.346	C	S	.	.	H	α-helix	trans	-70.9	-33.4	176.6	0	0	0	0	0	113.2	F86 M89 L91 F225 K226 L227 N231 A232	F86-A229 HydrophobicContact CD1-CB 4.02Å; F86-A229 HydrophobicContact CE1-CB 4.35Å; M89-A229 HydrophobicContact SD-CB 4.29Å; L91-A229 HydrophobicContact CD1-CB 3.56Å; L91-A229 HydrophobicContact CD2-CB 3.88Å; L91-A229 HydrophobicContact CG-CB 4.34Å; F225-A229 PolarHBondContact O-N 2.93Å; K226-A229 WeakPolarHBondContact O-CA 3.35Å; K226-A229 WeakPolarHBondContact O-CB 3.42Å; K226-A229 PolarHBondContact O-N 3.33Å; K226-A229 VanDerWaalsContact O-N 3.09Å; L227-A229 VanDerWaalsContact C-N 3.25Å; L227-A229 PolarHBondContact O-N 2.86Å; A229-N231 PolarHBondContact O-N 3.09Å; A229-A232 WeakPolarHBondContact O-CB 3.29Å; A229-A232 PolarHBondContact O-N 3.02Å; A229-A232 VanDerWaalsContact O-N 3.16Å
230	S	84.6	Confident	86.9	Confident	22 Å²	22	63.2 Å²	63.2	15%	0.154	34%	0.338	C	S	.	.	H	α-helix	trans	-56.9	-36.6	173.5	-59.5	0	0	0	0	112.4	F86 K226 L227 A232 I233 F234	F86-S230 WeakPolarHBondContact CZ-OG 3.17Å; K226-S230 PolarHBondContact O-N 3.06Å; K226-S230 PolarHBondContact O-OG 3.36Å; L227-S230 VanDerWaalsContact O-CB 3.32Å; L227-S230 WeakPolarHBondContact O-CB 3.17Å; L227-S230 PolarHBondContact O-N 3.13Å; L227-S230 VanDerWaalsContact O-N 3.08Å; S230-A232 PolarHBondContact O-N 3.25Å; S230-I233 WeakPolarHBondContact O-CA 3.29Å; S230-I233 WeakPolarHBondContact O-CB 3.35Å; S230-I233 PolarHBondContact O-N 3.38Å; S230-F234 VanDerWaalsContact O-CD2 3.28Å; S230-F234 WeakPolarHBondContact O-CD2 3.35Å; S230-F234 PolarHBondContact O-N 3.46Å
231	N	84.3	Confident	86.9	Confident	84 Å²	84	69.3 Å²	69.3	45%	0.449	37%	0.366	S	S	.	.	H	α-helix	trans	-61	-32.2	179.1	-68.3	-0.4	0	0	0	112.7	L227 R228 A229 T235	L227-N231 PolarHBondContact O-N 3.08Å; R228-N231 PolarHBondContact O-N 3.42Å; A229-N231 PolarHBondContact O-N 3.09Å; N231-T235 WeakPolarHBondContact O-CB 3.44Å; N231-T235 PolarHBondContact O-N 3.03Å; N231-T235 PolarHBondContact O-OG1 2.74Å
232	A	85.1	Confident	86.9	Confident	56 Å²	56	71.1 Å²	71.1	46%	0.463	38%	0.376	S	S	.	.	H	α-helix	trans	-69.1	-35	172.6	0	0	0	0	0	112.2	A229 S230 A236	A229-A232 WeakPolarHBondContact O-CB 3.29Å; A229-A232 PolarHBondContact O-N 3.02Å; A229-A232 VanDerWaalsContact O-N 3.16Å; S230-A232 PolarHBondContact O-N 3.25Å; A232-A236 PolarHBondContact O-N 2.8Å; A232-A236 VanDerWaalsContact O-N 3.11Å
233	I	87.9	Confident	87.1	Confident	71 Å²	71	66.6 Å²	66.6	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-70.8	-46	176.1	-56.2	-178.2	0	0	0	110.5	F86 M89 S230 T235 A236 L237	F86-I233 HydrophobicContact CD1-CD1 4.14Å; F86-I233 HydrophobicContact CE1-CD1 3.68Å; M89-I233 HydrophobicContact CE-CG1 4.44Å; S230-I233 WeakPolarHBondContact O-CA 3.29Å; S230-I233 WeakPolarHBondContact O-CB 3.35Å; S230-I233 PolarHBondContact O-N 3.38Å; I233-T235 VanDerWaalsContact C-N 3.32Å; I233-T235 PolarHBondContact O-N 2.59Å; I233-A236 WeakPolarHBondContact O-CB 3.41Å; I233-A236 PolarHBondContact O-N 3.37Å; I233-A236 VanDerWaalsContact O-N 3.08Å; I233-L237 HydrophobicContact CG2-CD1 4.46Å; I233-L237 WeakPolarHBondContact O-CG 3.22Å; I233-L237 PolarHBondContact O-N 3.18Å
234	F	86.3	Confident	87.4	Confident	119 Å²	119	64.4 Å²	64.4	52%	0.522	34%	0.339	S	S	.	.	H	α-helix	trans	-59.1	-42.6	173.7	-75	-63.7	0	0	0	111.7	S230 A236 L237 E238	S230-F234 VanDerWaalsContact O-CD2 3.28Å; S230-F234 WeakPolarHBondContact O-CD2 3.35Å; S230-F234 PolarHBondContact O-N 3.46Å; F234-A236 VanDerWaalsContact C-N 3.27Å; F234-A236 PolarHBondContact O-N 2.88Å; F234-L237 HydrophobicContact CD1-CD1 4.33Å; F234-L237 PolarHBondContact O-N 3.47Å; F234-L237 VanDerWaalsContact O-N 3.15Å; F234-E238 WeakPolarHBondContact O-CB 3.37Å; F234-E238 PolarHBondContact O-N 3.09Å
235	T	87.6	Confident	87.6	Confident	87 Å²	87	62.9 Å²	62.9	53%	0.534	33%	0.331	S	S	.	.	H	α-helix	trans	-58.3	-38.4	173.8	-56.9	0	0	0	0	112.2	N231 I233 Q239	N231-T235 WeakPolarHBondContact O-CB 3.44Å; N231-T235 PolarHBondContact O-N 3.03Å; N231-T235 PolarHBondContact O-OG1 2.74Å; I233-T235 VanDerWaalsContact C-N 3.32Å; I233-T235 PolarHBondContact O-N 2.59Å; T235-Q239 HydrophobicContact CG2-CG 4.38Å; T235-Q239 WeakPolarHBondContact O-CB 3.35Å; T235-Q239 VanDerWaalsContact O-CG 3.27Å; T235-Q239 WeakPolarHBondContact O-CG 3.41Å; T235-Q239 PolarHBondContact O-N 2.94Å
236	A	87.5	Confident	88	Confident	68 Å²	68	62.7 Å²	62.7	56%	0.562	33%	0.332	S	S	*	.	H	α-helix	trans	-71.8	-32	177	0	0	0	0	0	113.8	A232 I233 F234 S240	A232-A236 PolarHBondContact O-N 2.8Å; A232-A236 VanDerWaalsContact O-N 3.11Å; I233-A236 WeakPolarHBondContact O-CB 3.41Å; I233-A236 PolarHBondContact O-N 3.37Å; I233-A236 VanDerWaalsContact O-N 3.08Å; F234-A236 VanDerWaalsContact C-N 3.27Å; F234-A236 PolarHBondContact O-N 2.88Å; A236-S240 PolarHBondContact O-N 3.06Å
237	L	89	Confident	88.3	Confident	44 Å²	44	59.4 Å²	59.4	23%	0.23	32%	0.318	C	S	.	.	H	α-helix	trans	-70.7	-43.1	172.9	-66.6	171.3	0	0	0	111.5	I233 F234 S240 I244 Y255 N257	I233-L237 HydrophobicContact CG2-CD1 4.46Å; I233-L237 WeakPolarHBondContact O-CG 3.22Å; I233-L237 PolarHBondContact O-N 3.18Å; F234-L237 HydrophobicContact CD1-CD1 4.33Å; F234-L237 PolarHBondContact O-N 3.47Å; F234-L237 VanDerWaalsContact O-N 3.15Å; L237-S240 VanDerWaalsContact O-CB 3.29Å; L237-S240 WeakPolarHBondContact O-CB 3.33Å; L237-S240 PolarHBondContact O-N 2.93Å; L237-I244 HydrophobicContact CD2-CD1 3.77Å; L237-I244 HydrophobicContact CD2-CG2 4.48Å; L237-Y255 HydrophobicContact CB-CE1 4.46Å; L237-N257 PolarHBondContact O-ND2 2.96Å
238	E	88.1	Confident	88.6	Confident	69 Å²	69	55.8 Å²	55.8	32%	0.322	30%	0.3	S	S	.	.	H	α-helix	trans	-66.5	-38.4	-179	-161.6	67.2	-167.9	0	0	112.2	F234 S240 Y255 P258	F234-E238 WeakPolarHBondContact O-CB 3.37Å; F234-E238 PolarHBondContact O-N 3.09Å; E238-S240 VanDerWaalsContact C-N 3.34Å; E238-Y255 PolarHBondContact OE2-OH 3.26Å; E238-P258 HydrophobicContact CG-CG 4.33Å; E238-P258 VanDerWaalsContact OE1-CD 3.31Å; E238-P258 WeakPolarHBondContact OE1-CD 3.17Å; E238-P258 WeakPolarHBondContact OE1-CG 3.42Å
239	Q	89.3	Confident	88.7	Confident	151 Å²	151	56.1 Å²	56.1	71%	0.706	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	7.1	178.1	-59.9	-62.2	-59.7	0	0	113.6	T235	T235-Q239 HydrophobicContact CG2-CG 4.38Å; T235-Q239 WeakPolarHBondContact O-CB 3.35Å; T235-Q239 VanDerWaalsContact O-CG 3.27Å; T235-Q239 WeakPolarHBondContact O-CG 3.41Å; T235-Q239 PolarHBondContact O-N 2.94Å
240	S	90.8	Very high	88.7	Confident	29 Å²	29	60.9 Å²	60.9	20%	0.203	33%	0.329	C	S	.	.			trans	-69.3	136.5	176.3	174.3	0	0	0	0	111.6	A236 L237 E238 D242 A259	A236-S240 PolarHBondContact O-N 3.06Å; L237-S240 VanDerWaalsContact O-CB 3.29Å; L237-S240 WeakPolarHBondContact O-CB 3.33Å; L237-S240 PolarHBondContact O-N 2.93Å; E238-S240 VanDerWaalsContact C-N 3.34Å; S240-D242 PolarHBondContact OG-N 3.13Å; S240-D242 VanDerWaalsContact OG-N 3.16Å; S240-D242 PolarHBondContact OG-O 3.12Å; S240-A259 VanDerWaalsContact O-CB 3.31Å; S240-A259 WeakPolarHBondContact O-CB 3.32Å
241	Q	88.9	Confident	88.7	Confident	183 Å²	183	61.9 Å²	61.9	86%	0.855	33%	0.331	S	S	*	.	S	Bend	trans	-80.1	-20.5	172.4	-64.5	-176.9	-0.3	0	0	113
242	D	90.4	Very high	88.9	Confident	40 Å²	40	59.7 Å²	59.7	21%	0.214	32%	0.321	C	S	.	.	S	Bend	trans	-74.2	138.3	168.5	-67.4	-31.8	0	0	0	109.1	S240 I244 N257 I339 R341	S240-D242 PolarHBondContact OG-N 3.13Å; S240-D242 VanDerWaalsContact OG-N 3.16Å; S240-D242 PolarHBondContact OG-O 3.12Å; D242-I244 PolarHBondContact O-N 3.4Å; D242-N257 PolarHBondContact O-ND2 2.72Å; D242-I339 HydrophobicContact CB-CG2 3.78Å; D242-R341 WeakPolarHBondContact OD1-CD 3.29Å; D242-R341 VanDerWaalsContact OD1-CG 3.3Å; D242-R341 WeakPolarHBondContact OD1-CG 3.35Å; D242-R341 IonicContact OD1-CZ 3.35Å; D242-R341 IonicContact OD1-NE 3.49Å; D242-R341 PolarHBondContact OD1-NE 2.93Å; D242-R341 IonicContact OD1-NH2 3.79Å; D242-R341 IonicContact OD2-CZ 2.81Å; D242-R341 VanDerWaalsContact OD2-CZ 3.23Å; D242-R341 IonicContact OD2-NE 3.82Å; D242-R341 PolarHBondContact OD2-NE 3.26Å; D242-R341 IonicContact OD2-NH2 2.82Å; D242-R341 PolarHBondContact OD2-NH2 2.76Å
243	A	91.9	Very high	89.2	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	120.3	170.3	0	0	0	0	0	109.6	Y260 I263 N340	A243-Y260 VanDerWaalsContact CB-CA 3.45Å; A243-Y260 HydrophobicContact CB-CD2 4.17Å; A243-Y260 HydrophobicContact CB-CG 4.31Å; A243-I263 HydrophobicContact CB-CD1 3.88Å; A243-N340 HydrophobicContact CB-CB 4.07Å; A243-N340 WeakPolarHBondContact CB-O 3.25Å; A243-N340 PolarHBondContact N-O 3.4Å; A243-N340 PolarHBondContact O-N 2.97Å
244	I	93.7	Very high	89.3	Confident	12 Å²	12	58 Å²	58	6%	0.062	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	136.9	-178.8	-61.2	174.2	0	0	0	109.1	L237 D242 I246 V256 N257 V337 S338	L237-I244 HydrophobicContact CD2-CD1 3.77Å; L237-I244 HydrophobicContact CD2-CG2 4.48Å; D242-I244 PolarHBondContact O-N 3.4Å; I244-I246 HydrophobicContact CG2-CG1 4.48Å; I244-V256 WeakPolarHBondContact O-CA 3.48Å; I244-N257 HydrophobicContact CB-CB 4.48Å; I244-N257 PolarHBondContact N-OD1 2.82Å; I244-N257 PolarHBondContact O-N 3.23Å; I244-N257 VanDerWaalsContact O-N 3.12Å; I244-V337 HydrophobicContact CG2-CG1 4.42Å; I244-S338 WeakPolarHBondContact CA-O 3.16Å
245	E	92.8	Very high	89.6	Confident	8 Å²	8	54.1 Å²	54.1	4%	0.037	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	136.8	-180	174.1	179.4	-116.4	0	0	108.6	T247 Y255 V256 Y260 S338	E245-T247 HydrophobicContact CG-CG2 4.26Å; E245-Y255 CarbonylContact C-O 3.56Å; E245-Y255 WeakPolarHBondContact CA-O 3.47Å; E245-V256 HydrophobicContact CB-CG1 4.13Å; E245-V256 HydrophobicContact CG-CG1 4.1Å; E245-Y260 HydrophobicContact CB-CD2 3.88Å; E245-Y260 HydrophobicContact CB-CE2 3.65Å; E245-Y260 VanDerWaalsContact CD-CE2 3.49Å; E245-Y260 HydrophobicContact CG-CE2 4Å; E245-Y260 VanDerWaalsContact OE1-CE2 3.26Å; E245-Y260 WeakPolarHBondContact OE1-CE2 3.4Å; E245-Y260 VanDerWaalsContact OE1-CZ 3.24Å; E245-Y260 PolarHBondContact OE1-OH 3.09Å; E245-S338 PolarHBondContact N-O 3.02Å; E245-S338 PolarHBondContact O-N 2.86Å
246	I	93.7	Very high	89.8	Confident	32 Å²	32	50 Å²	50	16%	0.164	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	125.2	176.6	-51.2	179.9	0	0	0	108.2	I244 Q254 Y255 H335 Y336 V337	I244-I246 HydrophobicContact CG2-CG1 4.48Å; I246-Q254 PolarHBondContact O-N 2.72Å; I246-Y255 HydrophobicContact CD1-CD1 3.93Å; I246-Y255 HydrophobicContact CG1-CD1 4.07Å; I246-Y255 PolarHBondContact N-O 2.95Å; I246-Y255 PolarHBondContact O-N 3.16Å; I246-H335 HydrophobicContact CG2-CB 4.12Å; I246-Y336 WeakPolarHBondContact CA-O 3.2Å; I246-V337 HydrophobicContact CD1-CG2 4.48Å; I246-V337 HydrophobicContact CG1-CG2 4.2Å; I246-V337 HydrophobicContact CG2-CG2 4.38Å
247	T	91.6	Very high	90.1	Very high	9 Å²	9	46.7 Å²	46.7	6%	0.055	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	159.7	177.7	65.4	0	0	0	0	111.9	E245 V252 I253 I276 H335 Y336	E245-T247 HydrophobicContact CG-CG2 4.26Å; T247-V252 CarbonylContact C-O 3.55Å; T247-V252 WeakPolarHBondContact CA-O 3.45Å; T247-V252 WeakPolarHBondContact CB-O 3.31Å; T247-I253 HydrophobicContact CG2-CG1 4.07Å; T247-I276 HydrophobicContact CG2-CD1 4.34Å; T247-H335 CarbonylContact O-C 3.56Å; T247-H335 WeakPolarHBondContact O-CA 3.44Å; T247-H335 VanDerWaalsContact O-CB 3.3Å; T247-H335 WeakPolarHBondContact O-CB 3.41Å; T247-Y336 PolarHBondContact N-O 3.07Å; T247-Y336 PolarHBondContact O-N 3.25Å
248	S	90.4	Very high	90.3	Very high	10 Å²	10	46.7 Å²	46.7	7%	0.07	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	175.1	171.4	69.7	0	0	0	0	112.6	D250 Q251 V252 Y336	S248-D250 PolarHBondContact O-N 3.23Å; S248-D250 PolarHBondContact OG-N 2.83Å; S248-Q251 PolarHBondContact O-N 3Å; S248-Q251 PolarHBondContact OG-N 2.96Å; S248-V252 PolarHBondContact N-O 2.84Å; S248-V252 WeakPolarHBondContact OG-CB 3.23Å; S248-V252 PolarHBondContact OG-N 3.35Å; S248-V252 VanDerWaalsContact OG-N 3.1Å; S248-Y336 WeakPolarHBondContact O-CD2 3.43Å
249	E	85.5	Confident	90.5	Very high	74 Å²	74	44 Å²	44	35%	0.346	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-36.1	167.3	59.2	-163	-166.7	0	0	113.1	Q251 I333 R334	E249-Q251 PolarHBondContact O-N 3.18Å; E249-I333 WeakPolarHBondContact CB-O 3.48Å; E249-R334 PolarHBondContact N-O 3.43Å; E249-R334 VanDerWaalsContact N-O 3.09Å; E249-R334 IonicContact OE1-NH1 2.66Å; E249-R334 PolarHBondContact OE1-NH1 3.1Å; E249-R334 WeakPolarHBondContact OE2-CD 3.3Å; E249-R334 IonicContact OE2-CZ 2.78Å; E249-R334 IonicContact OE2-NE 3.3Å; E249-R334 IonicContact OE2-NH1 3.48Å; E249-R334 PolarHBondContact OE2-NH1 3.47Å
250	D	84.4	Confident	90.5	Very high	111 Å²	111	37.3 Å²	37.3	59%	0.594	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	8	174.1	-39.3	-78.6	0	0	0	114.4	S248 V252	S248-D250 PolarHBondContact O-N 3.23Å; S248-D250 PolarHBondContact OG-N 2.83Å; D250-V252 VanDerWaalsContact C-N 3.27Å; D250-V252 HydrophobicContact CB-CG2 4.37Å; D250-V252 PolarHBondContact O-N 2.82Å
251	Q	83.8	Confident	90.5	Very high	42 Å²	42	38 Å²	38	20%	0.196	19%	0.192	C	C	.	.			trans	64	21.5	-177.8	-44	-171.9	-0.4	0	0	115.4	S248 E249 I276 N294	S248-Q251 PolarHBondContact O-N 3Å; S248-Q251 PolarHBondContact OG-N 2.96Å; E249-Q251 PolarHBondContact O-N 3.18Å; Q251-I276 HydrophobicContact CB-CG2 3.7Å; Q251-I276 PolarHBondContact O-N 2.82Å; Q251-N294 PolarHBondContact NE2-OD1 3.38Å
252	V	89.4	Confident	90.4	Very high	39 Å²	39	34.1 Å²	34.1	24%	0.236	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-77.1	130.1	170.7	-179.7	0	0	0	0	109.7	T247 S248 D250 Q254 K274 E275	T247-V252 CarbonylContact C-O 3.55Å; T247-V252 WeakPolarHBondContact CA-O 3.45Å; T247-V252 WeakPolarHBondContact CB-O 3.31Å; S248-V252 PolarHBondContact N-O 2.84Å; S248-V252 WeakPolarHBondContact OG-CB 3.23Å; S248-V252 PolarHBondContact OG-N 3.35Å; S248-V252 VanDerWaalsContact OG-N 3.1Å; D250-V252 VanDerWaalsContact C-N 3.27Å; D250-V252 HydrophobicContact CB-CG2 4.37Å; D250-V252 PolarHBondContact O-N 2.82Å; V252-Q254 PolarHBondContact O-N 3.24Å; V252-K274 CarbonylContact C-O 3.43Å; V252-K274 WeakPolarHBondContact CA-O 3.49Å; V252-E275 HydrophobicContact CG2-CG 4.07Å
253	I	90.3	Very high	90.3	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	122.5	179.7	-58.1	171.9	0	0	0	109.8	T247 V256 L271 V272 G273 K274 V279	T247-I253 HydrophobicContact CG2-CG1 4.07Å; I253-V256 HydrophobicContact CG2-CG1 3.92Å; I253-L271 HydrophobicContact CD1-CB 4.16Å; I253-L271 HydrophobicContact CD1-CD2 4.33Å; I253-L271 HydrophobicContact CG2-CB 4.37Å; I253-V272 WeakPolarHBondContact O-CA 3.4Å; I253-G273 PolarHBondContact O-N 3.1Å; I253-K274 PolarHBondContact N-O 2.89Å; I253-V279 HydrophobicContact CD1-CG2 3.93Å
254	Q	90.1	Very high	90	Very high	91 Å²	91	33.6 Å²	33.6	43%	0.425	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-31.3	-179.1	-67.9	-179.4	-33	0	0	112.4	I246 V252 H335	I246-Q254 PolarHBondContact O-N 2.72Å; V252-Q254 PolarHBondContact O-N 3.24Å; Q254-H335 PolarHBondContact OE1-CE1 3.08Å; Q254-H335 PolarHBondContact OE1-ND1 3.02Å
255	Y	92.9	Very high	89.6	Confident	36 Å²	36	35 Å²	35	14%	0.141	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	143.5	176.1	170.4	-96.2	0	0	0	111	L237 E238 E245 I246 N257	L237-Y255 HydrophobicContact CB-CE1 4.46Å; E238-Y255 PolarHBondContact OE2-OH 3.26Å; E245-Y255 CarbonylContact C-O 3.56Å; E245-Y255 WeakPolarHBondContact CA-O 3.47Å; I246-Y255 HydrophobicContact CD1-CD1 3.93Å; I246-Y255 HydrophobicContact CG1-CD1 4.07Å; I246-Y255 PolarHBondContact N-O 2.95Å; I246-Y255 PolarHBondContact O-N 3.16Å; Y255-N257 HydrophobicContact CE1-CB 3.94Å; Y255-N257 VanDerWaalsContact OH-CB 3.3Å; Y255-N257 WeakPolarHBondContact OH-CB 3.25Å
256	V	92.5	Very high	89.2	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.3	163.6	-70.7	0	0	0	0	108.8	I244 E245 I253 Y260 Q268 L271	I244-V256 WeakPolarHBondContact O-CA 3.48Å; E245-V256 HydrophobicContact CB-CG1 4.13Å; E245-V256 HydrophobicContact CG-CG1 4.1Å; I253-V256 HydrophobicContact CG2-CG1 3.92Å; V256-Y260 HydrophobicContact CB-CD1 4.17Å; V256-Y260 HydrophobicContact CB-CD2 4.49Å; V256-Y260 HydrophobicContact CB-CG 4.03Å; V256-Y260 HydrophobicContact CG1-CD1 4.02Å; V256-Y260 HydrophobicContact CG1-CD2 4.04Å; V256-Y260 HydrophobicContact CG1-CE1 4.16Å; V256-Y260 HydrophobicContact CG1-CE2 4.14Å; V256-Y260 HydrophobicContact CG1-CG 3.97Å; V256-Q268 HydrophobicContact CG2-CB 4.01Å; V256-Q268 HydrophobicContact CG2-CG 3.87Å; V256-Q268 PolarHBondContact O-NE2 3.19Å; V256-L271 HydrophobicContact CG1-CD1 4.33Å; V256-L271 HydrophobicContact CG2-CD1 4.2Å
257	N	93.6	Very high	88.9	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.22	C	C	.	.			trans	-92.3	165.6	179.7	79.4	-15.9	0	0	0	113	L237 D242 I244 Y255 A259 Y260 E261	L237-N257 PolarHBondContact O-ND2 2.96Å; D242-N257 PolarHBondContact O-ND2 2.72Å; I244-N257 HydrophobicContact CB-CB 4.48Å; I244-N257 PolarHBondContact N-OD1 2.82Å; I244-N257 PolarHBondContact O-N 3.23Å; I244-N257 VanDerWaalsContact O-N 3.12Å; Y255-N257 HydrophobicContact CE1-CB 3.94Å; Y255-N257 VanDerWaalsContact OH-CB 3.3Å; Y255-N257 WeakPolarHBondContact OH-CB 3.25Å; N257-A259 PolarHBondContact O-N 3.43Å; N257-A259 VanDerWaalsContact O-N 3.13Å; N257-Y260 WeakPolarHBondContact O-CA 3.44Å; N257-Y260 VanDerWaalsContact O-CB 3.29Å; N257-Y260 WeakPolarHBondContact O-CB 3.15Å; N257-Y260 PolarHBondContact O-N 2.83Å; N257-Y260 PolarHBondContact OD1-N 2.91Å; N257-E261 PolarHBondContact O-N 2.94Å
258	P	92.9	Very high	88.6	Confident	43 Å²	43	42.9 Å²	42.9	28%	0.279	23%	0.234	S	C	.	.	H	α-helix	trans	-59.8	-24.9	-179.2	-27.5	36.3	0	0	0	114.9	E238 S262	E238-P258 HydrophobicContact CG-CG 4.33Å; E238-P258 VanDerWaalsContact OE1-CD 3.31Å; E238-P258 WeakPolarHBondContact OE1-CD 3.17Å; E238-P258 WeakPolarHBondContact OE1-CG 3.42Å; P258-S262 WeakPolarHBondContact O-CB 3.4Å; P258-S262 PolarHBondContact O-N 2.78Å; P258-S262 PolarHBondContact O-OG 3.42Å
259	A	90.8	Very high	88.2	Confident	14 Å²	14	46.1 Å²	46.1	12%	0.116	27%	0.269	C	S	.	.	H	α-helix	trans	-68.6	-38	172.4	0	0	0	0	0	112	S240 N257 S262 I263	S240-A259 VanDerWaalsContact O-CB 3.31Å; S240-A259 WeakPolarHBondContact O-CB 3.32Å; N257-A259 PolarHBondContact O-N 3.43Å; N257-A259 VanDerWaalsContact O-N 3.13Å; A259-S262 PolarHBondContact O-N 3.27Å; A259-I263 VanDerWaalsContact O-CB 3.3Å; A259-I263 WeakPolarHBondContact O-CB 3.49Å; A259-I263 WeakPolarHBondContact O-CD1 3.28Å; A259-I263 VanDerWaalsContact O-CG1 3.25Å; A259-I263 WeakPolarHBondContact O-CG1 3.28Å; A259-I263 PolarHBondContact O-N 3.16Å
260	Y	90.9	Very high	88.2	Confident	9 Å²	9	46 Å²	46	4%	0.035	27%	0.268	C	S	.	.	H	α-helix	trans	-61	-48.6	171.7	-169.6	-69.1	0	0	0	111	A243 E245 V256 N257 S262 I263 M264 L271	A243-Y260 VanDerWaalsContact CB-CA 3.45Å; A243-Y260 HydrophobicContact CB-CD2 4.17Å; A243-Y260 HydrophobicContact CB-CG 4.31Å; E245-Y260 HydrophobicContact CB-CD2 3.88Å; E245-Y260 HydrophobicContact CB-CE2 3.65Å; E245-Y260 VanDerWaalsContact CD-CE2 3.49Å; E245-Y260 HydrophobicContact CG-CE2 4Å; E245-Y260 VanDerWaalsContact OE1-CE2 3.26Å; E245-Y260 WeakPolarHBondContact OE1-CE2 3.4Å; E245-Y260 VanDerWaalsContact OE1-CZ 3.24Å; E245-Y260 PolarHBondContact OE1-OH 3.09Å; V256-Y260 HydrophobicContact CB-CD1 4.17Å; V256-Y260 HydrophobicContact CB-CD2 4.49Å; V256-Y260 HydrophobicContact CB-CG 4.03Å; V256-Y260 HydrophobicContact CG1-CD1 4.02Å; V256-Y260 HydrophobicContact CG1-CD2 4.04Å; V256-Y260 HydrophobicContact CG1-CE1 4.16Å; V256-Y260 HydrophobicContact CG1-CE2 4.14Å; V256-Y260 HydrophobicContact CG1-CG 3.97Å; N257-Y260 WeakPolarHBondContact O-CA 3.44Å; N257-Y260 VanDerWaalsContact O-CB 3.29Å; N257-Y260 WeakPolarHBondContact O-CB 3.15Å; N257-Y260 PolarHBondContact O-N 2.83Å; N257-Y260 PolarHBondContact OD1-N 2.91Å; Y260-S262 VanDerWaalsContact C-N 3.33Å; Y260-S262 PolarHBondContact O-N 2.84Å; Y260-I263 PolarHBondContact O-N 3.46Å; Y260-M264 HydrophobicContact CD1-CB 4.05Å; Y260-M264 HydrophobicContact CD1-CG 3.9Å; Y260-M264 HydrophobicContact CE1-CB 3.9Å; Y260-M264 HydrophobicContact CE1-CG 3.7Å; Y260-M264 HydrophobicContact CG-CG 4.41Å; Y260-M264 WeakPolarHBondContact O-CB 3.35Å; Y260-M264 PolarHBondContact O-N 3.22Å; Y260-L271 HydrophobicContact CD1-CD1 4.11Å; Y260-L271 HydrophobicContact CE1-CD1 3.54Å
261	E	89.6	Confident	88.1	Confident	45 Å²	45	40.9 Å²	40.9	21%	0.21	24%	0.241	C	C	.	.	H	α-helix	trans	-55	-49.2	175.7	-60.7	-169.3	124	0	0	111.4	N257 I263 G265 Y266 Q267 Q268	N257-E261 PolarHBondContact O-N 2.94Å; E261-I263 VanDerWaalsContact C-N 3.34Å; E261-I263 PolarHBondContact O-N 2.96Å; E261-G265 VanDerWaalsContact O-CA 3.29Å; E261-G265 WeakPolarHBondContact O-CA 3.29Å; E261-G265 PolarHBondContact O-N 3.25Å; E261-Y266 VanDerWaalsContact CA-O 3.31Å; E261-Y266 WeakPolarHBondContact CA-O 3.49Å; E261-Y266 VanDerWaalsContact CB-O 3.3Å; E261-Y266 WeakPolarHBondContact CB-O 3.35Å; E261-Y266 WeakPolarHBondContact CG-O 3.41Å; E261-Q267 VanDerWaalsContact OE1-CA 3.25Å; E261-Q267 WeakPolarHBondContact OE1-CA 3.02Å; E261-Q267 PolarHBondContact OE1-NE2 3.03Å; E261-Q268 PolarHBondContact OE1-N 3.01Å
262	S	87.8	Confident	88.2	Confident	101 Å²	101	42 Å²	42	71%	0.706	25%	0.251	S	S	*	.	H	α-helix	trans	-63.4	-35.9	-179.2	-59.7	0	0	0	0	113.3	P258 A259 Y260	P258-S262 WeakPolarHBondContact O-CB 3.4Å; P258-S262 PolarHBondContact O-N 2.78Å; P258-S262 PolarHBondContact O-OG 3.42Å; A259-S262 PolarHBondContact O-N 3.27Å; Y260-S262 VanDerWaalsContact C-N 3.33Å; Y260-S262 PolarHBondContact O-N 2.84Å
263	I	87.9	Confident	87.9	Confident	24 Å²	24	42.9 Å²	42.9	12%	0.123	27%	0.267	C	S	.	.	H	α-helix	trans	-82.5	-40.1	-177.7	-72.3	163.3	0	0	0	111.4	A243 A259 Y260 E261 K311 I317 P342	A243-I263 HydrophobicContact CB-CD1 3.88Å; A259-I263 VanDerWaalsContact O-CB 3.3Å; A259-I263 WeakPolarHBondContact O-CB 3.49Å; A259-I263 WeakPolarHBondContact O-CD1 3.28Å; A259-I263 VanDerWaalsContact O-CG1 3.25Å; A259-I263 WeakPolarHBondContact O-CG1 3.28Å; A259-I263 PolarHBondContact O-N 3.16Å; Y260-I263 PolarHBondContact O-N 3.46Å; E261-I263 VanDerWaalsContact C-N 3.34Å; E261-I263 PolarHBondContact O-N 2.96Å; I263-K311 WeakPolarHBondContact O-CE 3.24Å; I263-K311 PolarHBondContact O-NZ 2.77Å; I263-I317 HydrophobicContact CG2-CD1 3.97Å; I263-P342 HydrophobicContact CD1-CG 3.9Å; I263-P342 HydrophobicContact CG1-CG 4.37Å; I263-P342 HydrophobicContact CG2-CB 4.42Å
264	M	85.9	Confident	87.6	Confident	5 Å²	5	47.1 Å²	47.1	3%	0.025	29%	0.286	C	S	.	.	H	α-helix	trans	-97.1	-22.4	-172.7	-65.1	-58.9	-65.1	0	0	114.4	Y260 Y266 A309 K310 K311 K312 I317 Q319	Y260-M264 HydrophobicContact CD1-CB 4.05Å; Y260-M264 HydrophobicContact CD1-CG 3.9Å; Y260-M264 HydrophobicContact CE1-CB 3.9Å; Y260-M264 HydrophobicContact CE1-CG 3.7Å; Y260-M264 HydrophobicContact CG-CG 4.41Å; Y260-M264 WeakPolarHBondContact O-CB 3.35Å; Y260-M264 PolarHBondContact O-N 3.22Å; M264-Y266 HydrophobicContact CB-CD2 3.89Å; M264-Y266 HydrophobicContact CB-CE2 4.39Å; M264-Y266 HydrophobicContact CE-CE2 4.49Å; M264-A309 HydrophobicContact CE-CB 3.56Å; M264-A309 HydrophobicContact SD-CB 3.98Å; M264-K310 WeakPolarHBondContact CE-O 3.47Å; M264-K311 WeakPolarHBondContact O-CA 3.27Å; M264-K311 WeakPolarHBondContact O-CB 3.36Å; M264-K312 PolarHBondContact O-N 3.37Å; M264-I317 HydrophobicContact SD-CG2 4.04Å; M264-Q319 PolarHBondContact SD-NE2 3.49Å
265	G	84.4	Confident	87.1	Confident	42 Å²	42	46.9 Å²	46.9	43%	0.433	29%	0.285	S	S	.	.			trans	83.6	7.3	177.9	0	0	0	0	0	115.6	E261 K312	E261-G265 VanDerWaalsContact O-CA 3.29Å; E261-G265 WeakPolarHBondContact O-CA 3.29Å; E261-G265 PolarHBondContact O-N 3.25Å; G265-K312 WeakPolarHBondContact O-CD 3.5Å
266	Y	85.7	Confident	86.3	Confident	25 Å²	25	47.4 Å²	47.4	10%	0.098	29%	0.29	C	S	.	.			trans	-92.5	160.7	172.6	-60.6	-80.8	0	0	0	111	E261 M264 L271 V279 P280 K312	E261-Y266 VanDerWaalsContact CA-O 3.31Å; E261-Y266 WeakPolarHBondContact CA-O 3.49Å; E261-Y266 VanDerWaalsContact CB-O 3.3Å; E261-Y266 WeakPolarHBondContact CB-O 3.35Å; E261-Y266 WeakPolarHBondContact CG-O 3.41Å; M264-Y266 HydrophobicContact CB-CD2 3.89Å; M264-Y266 HydrophobicContact CB-CE2 4.39Å; M264-Y266 HydrophobicContact CE-CE2 4.49Å; Y266-L271 HydrophobicContact CD1-CD2 4.35Å; Y266-L271 HydrophobicContact CD2-CD2 4.44Å; Y266-L271 HydrophobicContact CG-CD1 4.28Å; Y266-L271 HydrophobicContact CG-CD2 4.09Å; Y266-L271 HydrophobicContact CG-CG 4.35Å; Y266-V279 HydrophobicContact CE2-CG1 4.43Å; Y266-P280 WeakPolarHBondContact OH-CD 3.25Å; Y266-K312 HydrophobicContact CD1-CB 3.83Å; Y266-K312 HydrophobicContact CD1-CD 3.81Å; Y266-K312 HydrophobicContact CD1-CG 3.81Å; Y266-K312 HydrophobicContact CD2-CB 4.31Å; Y266-K312 HydrophobicContact CE1-CB 3.62Å; Y266-K312 HydrophobicContact CE1-CD 4.18Å; Y266-K312 HydrophobicContact CE1-CG 3.65Å; Y266-K312 HydrophobicContact CE2-CB 4.12Å; Y266-K312 HydrophobicContact CG-CB 4.16Å; Y266-K312 HydrophobicContact CG-CD 4.43Å
267	Q	87.1	Confident	85	Confident	112 Å²	112	52 Å²	52	52%	0.523	31%	0.313	S	S	.	.			trans	-100.4	150.7	169	-59.8	-76.1	-110.1	0	0	110.9	E261 G269 E270	E261-Q267 VanDerWaalsContact OE1-CA 3.25Å; E261-Q267 WeakPolarHBondContact OE1-CA 3.02Å; E261-Q267 PolarHBondContact OE1-NE2 3.03Å; Q267-G269 VanDerWaalsContact C-N 3.3Å; Q267-G269 PolarHBondContact O-N 3.35Å; Q267-E270 HydrophobicContact CB-CG 4.16Å; Q267-E270 PolarHBondContact N-OE2 2.88Å; Q267-E270 WeakPolarHBondContact O-CA 3.3Å; Q267-E270 WeakPolarHBondContact O-CB 3.41Å; Q267-E270 PolarHBondContact O-N 2.77Å
268	Q	84.6	Confident	83.5	Confident	77 Å²	77	57.8 Å²	57.8	36%	0.36	34%	0.34	S	S	.	.	H	α-helix	trans	-53.4	-45.8	-176.8	-175.1	-176.4	75.6	0	0	111.8	V256 E261 E270 L271 V272	V256-Q268 HydrophobicContact CG2-CB 4.01Å; V256-Q268 HydrophobicContact CG2-CG 3.87Å; V256-Q268 PolarHBondContact O-NE2 3.19Å; E261-Q268 PolarHBondContact OE1-N 3.01Å; Q268-E270 PolarHBondContact O-N 2.76Å; Q268-L271 PolarHBondContact O-N 3.1Å; Q268-V272 HydrophobicContact CG-CG2 3.74Å; Q268-V272 WeakPolarHBondContact O-CG2 3.44Å; Q268-V272 PolarHBondContact O-N 2.88Å
269	G	82.9	Confident	82.2	Confident	77 Å²	77	56.7 Å²	56.7	79%	0.794	33%	0.332	S	S	*	.	H	α-helix	trans	-68.9	-5.9	176	0	0	0	0	0	115.7	Q267	Q267-G269 VanDerWaalsContact C-N 3.3Å; Q267-G269 PolarHBondContact O-N 3.35Å
270	E	83.9	Confident	80.9	Confident	71 Å²	71	59 Å²	59	33%	0.332	35%	0.347	S	S	.	.	H	α-helix	trans	-93.8	-11.9	170.5	-59.4	-179.9	122.5	0	0	112.9	Q267 Q268 K274 K312	Q267-E270 HydrophobicContact CB-CG 4.16Å; Q267-E270 PolarHBondContact N-OE2 2.88Å; Q267-E270 WeakPolarHBondContact O-CA 3.3Å; Q267-E270 WeakPolarHBondContact O-CB 3.41Å; Q267-E270 PolarHBondContact O-N 2.77Å; Q268-E270 PolarHBondContact O-N 2.76Å; E270-K274 WeakPolarHBondContact O-CD 3.38Å; E270-K274 WeakPolarHBondContact O-CE 3.37Å; E270-K274 PolarHBondContact O-NZ 3.32Å; E270-K312 IonicContact OE1-NZ 2.68Å; E270-K312 PolarHBondContact OE1-NZ 2.79Å; E270-K312 IonicContact OE2-NZ 2.82Å; E270-K312 PolarHBondContact OE2-NZ 3.49Å
271	L	83.6	Confident	79.9	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.026	36%	0.362	C	S	.	.	H	α-helix	trans	-116.2	-43	-173.7	-66.9	176.7	0	0	0	112.9	I253 V256 Y260 Y266 Q268 G273 K274 V279	I253-L271 HydrophobicContact CD1-CB 4.16Å; I253-L271 HydrophobicContact CD1-CD2 4.33Å; I253-L271 HydrophobicContact CG2-CB 4.37Å; V256-L271 HydrophobicContact CG1-CD1 4.33Å; V256-L271 HydrophobicContact CG2-CD1 4.2Å; Y260-L271 HydrophobicContact CD1-CD1 4.11Å; Y260-L271 HydrophobicContact CE1-CD1 3.54Å; Y266-L271 HydrophobicContact CD1-CD2 4.35Å; Y266-L271 HydrophobicContact CD2-CD2 4.44Å; Y266-L271 HydrophobicContact CG-CD1 4.28Å; Y266-L271 HydrophobicContact CG-CD2 4.09Å; Y266-L271 HydrophobicContact CG-CG 4.35Å; Q268-L271 PolarHBondContact O-N 3.1Å; L271-G273 PolarHBondContact O-N 3.35Å; L271-K274 WeakPolarHBondContact O-CB 3.26Å; L271-K274 PolarHBondContact O-N 2.69Å; L271-K274 VanDerWaalsContact O-N 3.08Å; L271-V279 HydrophobicContact CD2-CG2 4Å
272	V	85.8	Confident	79	Confident	65 Å²	65	60.8 Å²	60.8	39%	0.394	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	129.4	-178.6	173.3	0	0	0	0	110.1	I253 Q268	I253-V272 WeakPolarHBondContact O-CA 3.4Å; Q268-V272 HydrophobicContact CG-CG2 3.74Å; Q268-V272 WeakPolarHBondContact O-CG2 3.44Å; Q268-V272 PolarHBondContact O-N 2.88Å
273	G	81.8	Confident	78.1	Confident	57 Å²	57	64.4 Å²	64.4	59%	0.588	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.2	-2.1	-175.8	0	0	0	0	0	115.5	I253 L271	I253-G273 PolarHBondContact O-N 3.1Å; L271-G273 PolarHBondContact O-N 3.35Å
274	K	84.7	Confident	77.3	Confident	90 Å²	90	69.4 Å²	69.4	39%	0.391	38%	0.381	S	S	.	.	S	Bend	trans	-101	151.3	174.3	-66.5	-179.9	178.4	165.5	0	112.7	V252 I253 E270 L271 E278	V252-K274 CarbonylContact C-O 3.43Å; V252-K274 WeakPolarHBondContact CA-O 3.49Å; I253-K274 PolarHBondContact N-O 2.89Å; E270-K274 WeakPolarHBondContact O-CD 3.38Å; E270-K274 WeakPolarHBondContact O-CE 3.37Å; E270-K274 PolarHBondContact O-NZ 3.32Å; L271-K274 WeakPolarHBondContact O-CB 3.26Å; L271-K274 PolarHBondContact O-N 2.69Å; L271-K274 VanDerWaalsContact O-N 3.08Å; K274-E278 WeakPolarHBondContact CD-OE2 3.4Å; K274-E278 WeakPolarHBondContact CG-OE2 3.26Å
275	E	79.7	Confident	76.9	Confident	87 Å²	87	70.1 Å²	70.1	41%	0.407	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-68.8	140.9	168.8	-65.6	-178.1	-158.7	0	0	111.3	V252 I277 E278	V252-E275 HydrophobicContact CG2-CG 4.07Å; E275-I277 HydrophobicContact CB-CG1 3.92Å; E275-I277 PolarHBondContact O-N 3.44Å; E275-I277 WeakPolarHBondContact OE2-CD1 3.3Å; E275-I277 WeakPolarHBondContact OE2-CG1 3.12Å; E275-E278 HydrophobicContact CB-CG 4.49Å; E275-E278 PolarHBondContact O-N 3.01Å
276	I	76.8	Confident	76.4	Confident	47 Å²	47	75 Å²	75	24%	0.241	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-11.4	175.5	-155.5	172	0	0	0	113.2	T247 Q251	T247-I276 HydrophobicContact CG2-CD1 4.34Å; Q251-I276 HydrophobicContact CB-CG2 3.7Å; Q251-I276 PolarHBondContact O-N 2.82Å
277	I	64.6	Low	75.6	Confident	95 Å²	95	78.4 Å²	78.4	49%	0.487	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-24	174.6	75.1	172.6	0	0	0	113.9	E275	E275-I277 HydrophobicContact CB-CG1 3.92Å; E275-I277 PolarHBondContact O-N 3.44Å; E275-I277 WeakPolarHBondContact OE2-CD1 3.3Å; E275-I277 WeakPolarHBondContact OE2-CG1 3.12Å
278	E	61.3	Low	75.1	Confident	123 Å²	123	77.7 Å²	77.7	58%	0.575	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-25	177.2	-60.3	-171	167.3	0	0	112.5	K274 E275 P280	K274-E278 WeakPolarHBondContact CD-OE2 3.4Å; K274-E278 WeakPolarHBondContact CG-OE2 3.26Å; E275-E278 HydrophobicContact CB-CG 4.49Å; E275-E278 PolarHBondContact O-N 3.01Å; E278-P280 WeakPolarHBondContact O-CD 3.09Å
279	V	67.6	Low	74.8	Confident	19 Å²	19	76.1 Å²	76.1	12%	0.115	41%	0.413	C	S	.	.	S	Bend	trans	-65.7	125.1	175.8	-175.2	0	0	0	0	108.8	I253 Y266 L271 K281	I253-V279 HydrophobicContact CD1-CG2 3.93Å; Y266-V279 HydrophobicContact CE2-CG1 4.43Å; L271-V279 HydrophobicContact CD2-CG2 4Å; V279-K281 PolarHBondContact O-N 3.03Å; V279-K281 VanDerWaalsContact O-N 3.15Å
280	P	63.5	Low	74.5	Confident	64 Å²	64	75 Å²	75	42%	0.416	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-52.5	120.6	-178.7	-30.2	35.9	0	0	0	113.1	Y266 E278 K310	Y266-P280 WeakPolarHBondContact OH-CD 3.25Å; E278-P280 WeakPolarHBondContact O-CD 3.09Å; P280-K310 HydrophobicContact CB-CB 4.29Å; P280-K310 HydrophobicContact CB-CD 4.06Å; P280-K310 HydrophobicContact CB-CG 4.49Å; P280-K310 VanDerWaalsContact O-CB 3.26Å; P280-K310 WeakPolarHBondContact O-CB 3.32Å
281	K	68.9	Low	74.3	Confident	84 Å²	84	78.4 Å²	78.4	37%	0.365	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-88.7	151.6	179.4	-63.2	174.5	-174.8	169.9	0	110.5	V279	V279-K281 PolarHBondContact O-N 3.03Å; V279-K281 VanDerWaalsContact O-N 3.15Å
282	S	70.7	Confident	74.3	Confident	7 Å²	7	81.5 Å²	81.5	5%	0.049	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-81.5	130	173.2	-170.9	0	0	0	0	111.3	K284 N285 Y308 N316	S282-K284 PolarHBondContact O-N 3.06Å; S282-K284 VanDerWaalsContact O-N 3.14Å; S282-K284 WeakPolarHBondContact OG-CB 3.19Å; S282-K284 PolarHBondContact OG-N 3.34Å; S282-N285 PolarHBondContact O-N 3.33Å; S282-N285 PolarHBondContact O-ND2 3.27Å; S282-Y308 WeakPolarHBondContact CB-O 3.41Å; S282-N316 VanDerWaalsContact CB-OD1 3.25Å; S282-N316 WeakPolarHBondContact CB-OD1 3.42Å; S282-N316 PolarHBondContact OG-OD1 2.98Å
283	E	68.3	Low	74.2	Confident	177 Å²	177	79 Å²	79	83%	0.827	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-11	169.1	-67.2	158.4	-137	0	0	113.1	N285	E283-N285 VanDerWaalsContact C-N 3.28Å; E283-N285 PolarHBondContact O-N 2.76Å
284	K	71.1	Confident	74.2	Confident	129 Å²	129	78 Å²	78	56%	0.561	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-14	173.8	-65.8	-174.5	175.5	-176	0	113.7	S282 Y308 N316	S282-K284 PolarHBondContact O-N 3.06Å; S282-K284 VanDerWaalsContact O-N 3.14Å; S282-K284 WeakPolarHBondContact OG-CB 3.19Å; S282-K284 PolarHBondContact OG-N 3.34Å; K284-Y308 HydrophobicContact CB-CD1 4.28Å; K284-Y308 HydrophobicContact CB-CD2 3.89Å; K284-Y308 HydrophobicContact CB-CE2 4.45Å; K284-Y308 HydrophobicContact CB-CG 3.79Å; K284-Y308 HydrophobicContact CD-CD1 3.98Å; K284-Y308 HydrophobicContact CD-CE1 4.26Å; K284-Y308 HydrophobicContact CD-CG 4.33Å; K284-N316 HydrophobicContact CD-CB 4.38Å
285	N	77.5	Confident	74.2	Confident	19 Å²	19	76 Å²	76	10%	0.102	39%	0.386	C	S	.	.	S	Bend	trans	-80.8	133.9	175.5	-59.5	-61.8	0	0	0	110.3	S282 E283 L289 Y308	S282-N285 PolarHBondContact O-N 3.33Å; S282-N285 PolarHBondContact O-ND2 3.27Å; E283-N285 VanDerWaalsContact C-N 3.28Å; E283-N285 PolarHBondContact O-N 2.76Å; N285-L289 HydrophobicContact CB-CD2 4.35Å; N285-Y308 PolarHBondContact ND2-O 3.41Å; N285-Y308 PolarHBondContact OD1-N 3.44Å
286	K	74.3	Confident	74.4	Confident	146 Å²	146	73.6 Å²	73.6	64%	0.635	38%	0.379	S	S	*	.			trans	-67.8	145.7	169.8	-63.8	-174.7	178	-174.1	0	110.3	D288 L289	K286-D288 VanDerWaalsContact C-N 3.3Å; K286-D288 PolarHBondContact O-N 3.06Å; K286-L289 VanDerWaalsContact O-CB 3.25Å; K286-L289 WeakPolarHBondContact O-CB 3.19Å; K286-L289 PolarHBondContact O-N 3.32Å; K286-L289 VanDerWaalsContact O-N 3.07Å
287	P	69.8	Low	74.8	Confident	95 Å²	95	71.7 Å²	71.7	62%	0.617	37%	0.369	S	S	*	.	H	α-helix	trans	-53	-47.6	174.6	-26.2	35.4	0	0	0	112.5	L289 L290 E291	P287-L289 PolarHBondContact O-N 3.4Å; P287-L290 PolarHBondContact O-N 3.24Å; P287-E291 PolarHBondContact O-N 2.9Å
288	D	75.8	Confident	75.5	Confident	97 Å²	97	75 Å²	75	52%	0.519	38%	0.376	S	S	.	.	H	α-helix	trans	-55.5	-25.8	179.3	-3.5	-44.8	0	0	0	113.3	K286 T292	K286-D288 VanDerWaalsContact C-N 3.3Å; K286-D288 PolarHBondContact O-N 3.06Å; D288-T292 VanDerWaalsContact O-CB 3.29Å; D288-T292 WeakPolarHBondContact O-CB 3.48Å; D288-T292 PolarHBondContact O-N 2.99Å; D288-T292 PolarHBondContact O-OG1 3.17Å
289	L	78	Confident	76.4	Confident	45 Å²	45	75.9 Å²	75.9	24%	0.236	38%	0.377	C	S	.	.	H	α-helix	trans	-69.8	-42.3	177.5	-172.9	65.2	0	0	0	111.5	N285 K286 P287 T292 I293 W303	N285-L289 HydrophobicContact CB-CD2 4.35Å; K286-L289 VanDerWaalsContact O-CB 3.25Å; K286-L289 WeakPolarHBondContact O-CB 3.19Å; K286-L289 PolarHBondContact O-N 3.32Å; K286-L289 VanDerWaalsContact O-N 3.07Å; P287-L289 PolarHBondContact O-N 3.4Å; L289-T292 PolarHBondContact O-N 3.28Å; L289-I293 HydrophobicContact CG-CD1 4.2Å; L289-I293 WeakPolarHBondContact O-CD1 3.3Å; L289-I293 VanDerWaalsContact O-CG1 3.27Å; L289-I293 WeakPolarHBondContact O-CG1 3.26Å; L289-I293 PolarHBondContact O-N 3.33Å; L289-W303 HydrophobicContact CD1-CZ2 3.99Å
290	L	77.2	Confident	77.1	Confident	53 Å²	53	76.7 Å²	76.7	28%	0.277	39%	0.389	S	S	.	.	H	α-helix	trans	-69.3	-37.3	178.3	-68.6	173.3	0	0	0	111.3	P287 N294 Y307	P287-L290 PolarHBondContact O-N 3.24Å; L290-N294 WeakPolarHBondContact O-CB 3.42Å; L290-N294 PolarHBondContact O-N 3.07Å; L290-N294 PolarHBondContact O-ND2 3.45Å; L290-Y307 HydrophobicContact CD2-CE2 3.93Å
291	E	78.9	Confident	78.2	Confident	143 Å²	143	80.2 Å²	80.2	67%	0.668	40%	0.398	S	S	*	.	H	α-helix	trans	-66	-41.9	172.1	-66	-169.6	171.7	0	0	111.7	P287 N294 S295	P287-E291 PolarHBondContact O-N 2.9Å; E291-N294 PolarHBondContact O-N 3.45Å; E291-S295 WeakPolarHBondContact O-CB 3.45Å; E291-S295 PolarHBondContact O-N 3.32Å
292	T	83.4	Confident	79.1	Confident	69 Å²	69	81.3 Å²	81.3	42%	0.423	41%	0.405	S	S	.	.	H	α-helix	trans	-60.4	-48.2	176.1	-60.9	0	0	0	0	111.4	D288 L289 S295 C296	D288-T292 VanDerWaalsContact O-CB 3.29Å; D288-T292 WeakPolarHBondContact O-CB 3.48Å; D288-T292 PolarHBondContact O-N 2.99Å; D288-T292 PolarHBondContact O-OG1 3.17Å; L289-T292 PolarHBondContact O-N 3.28Å; T292-S295 PolarHBondContact O-N 2.92Å; T292-C296 PolarHBondContact O-N 3.34Å
293	I	84.3	Confident	80.2	Confident	13 Å²	13	82 Å²	82	7%	0.067	41%	0.406	C	S	.	.	H	α-helix	trans	-54.8	-56.5	175.1	-71.3	159.6	0	0	0	110.2	L289 S295 C296 I297 W303 Y307 I323	L289-I293 HydrophobicContact CG-CD1 4.2Å; L289-I293 WeakPolarHBondContact O-CD1 3.3Å; L289-I293 VanDerWaalsContact O-CG1 3.27Å; L289-I293 WeakPolarHBondContact O-CG1 3.26Å; L289-I293 PolarHBondContact O-N 3.33Å; I293-S295 VanDerWaalsContact C-N 3.29Å; I293-S295 PolarHBondContact O-N 2.89Å; I293-C296 PolarHBondContact O-N 3.32Å; I293-I297 HydrophobicContact CG2-CD1 4.29Å; I293-I297 WeakPolarHBondContact O-CG1 3.37Å; I293-I297 PolarHBondContact O-N 3.37Å; I293-W303 HydrophobicContact CD1-CH2 3.88Å; I293-W303 HydrophobicContact CD1-CZ2 3.91Å; I293-W303 HydrophobicContact CD1-CZ3 4.19Å; I293-W303 HydrophobicContact CG1-CD2 3.62Å; I293-W303 VanDerWaalsContact CG1-CE2 3.41Å; I293-W303 HydrophobicContact CG1-CE3 3.96Å; I293-W303 HydrophobicContact CG1-CG 4.17Å; I293-W303 HydrophobicContact CG1-CH2 3.94Å; I293-W303 HydrophobicContact CG1-CZ2 3.6Å; I293-W303 HydrophobicContact CG1-CZ3 4.1Å; I293-Y307 HydrophobicContact CD1-CD2 4.27Å; I293-I323 HydrophobicContact CG2-CD1 3.74Å
294	N	82.3	Confident	81.3	Confident	35 Å²	35	78.8 Å²	78.8	19%	0.187	39%	0.391	C	S	.	.	H	α-helix	trans	-61.8	-35.3	-178.3	-82.1	-73	0	0	0	112.9	Q251 L290 E291 R298	Q251-N294 PolarHBondContact NE2-OD1 3.38Å; L290-N294 WeakPolarHBondContact O-CB 3.42Å; L290-N294 PolarHBondContact O-N 3.07Å; L290-N294 PolarHBondContact O-ND2 3.45Å; E291-N294 PolarHBondContact O-N 3.45Å; N294-R298 VanDerWaalsContact O-CB 3.28Å; N294-R298 WeakPolarHBondContact O-CB 3.48Å; N294-R298 VanDerWaalsContact O-CG 3.32Å; N294-R298 WeakPolarHBondContact O-CG 3.39Å; N294-R298 PolarHBondContact O-N 3.31Å; N294-R298 VanDerWaalsContact O-N 3.15Å; N294-R298 PolarHBondContact O-NE 2.88Å
295	S	84.2	Confident	82.1	Confident	48 Å²	48	73.5 Å²	73.5	34%	0.336	37%	0.373	S	S	.	.	H	α-helix	trans	-69.6	-36.7	176.8	-171.6	0	0	0	0	112.3	E291 T292 I293 K299	E291-S295 WeakPolarHBondContact O-CB 3.45Å; E291-S295 PolarHBondContact O-N 3.32Å; T292-S295 PolarHBondContact O-N 2.92Å; I293-S295 VanDerWaalsContact C-N 3.29Å; I293-S295 PolarHBondContact O-N 2.89Å; S295-K299 WeakPolarHBondContact O-CB 3.44Å; S295-K299 WeakPolarHBondContact O-CD 3.37Å; S295-K299 WeakPolarHBondContact O-CG 3.26Å; S295-K299 PolarHBondContact OG-NZ 2.82Å
296	C	84.8	Confident	82.6	Confident	37 Å²	37	76.6 Å²	76.6	25%	0.25	39%	0.389	C	S	.	.	H	α-helix	trans	-69.1	-54.7	174	-78.4	0	0	0	0	111.8	T292 I293 R298 K299 K301 W303	T292-C296 PolarHBondContact O-N 3.34Å; I293-C296 PolarHBondContact O-N 3.32Å; C296-R298 PolarHBondContact O-N 2.93Å; C296-K299 PolarHBondContact O-N 3.36Å; C296-K299 VanDerWaalsContact O-N 3.07Å; C296-K301 CarbonylContact C-O 3.59Å; C296-K301 PolarHBondContact O-N 3.02Å; C296-W303 HydrophobicContact CB-CB 4Å; C296-W303 HydrophobicContact CB-CG 4.45Å
297	I	83.8	Confident	83.2	Confident	8 Å²	8	71.6 Å²	71.6	4%	0.041	37%	0.367	C	S	.	.	H	α-helix	trans	-69.1	-37.7	-171.3	70.4	-175.4	0	0	0	112.2	I293 K299 G300 W303 I323 I333 Y336	I293-I297 HydrophobicContact CG2-CD1 4.29Å; I293-I297 WeakPolarHBondContact O-CG1 3.37Å; I293-I297 PolarHBondContact O-N 3.37Å; I297-K299 PolarHBondContact O-N 3.39Å; I297-G300 PolarHBondContact O-N 2.8Å; I297-W303 HydrophobicContact CG2-CB 4.22Å; I297-I323 HydrophobicContact CG2-CB 4.12Å; I297-I323 HydrophobicContact CG2-CG2 3.85Å; I297-I333 WeakPolarHBondContact O-CD1 3.41Å; I297-Y336 HydrophobicContact CB-CD1 3.93Å; I297-Y336 HydrophobicContact CB-CE1 3.69Å; I297-Y336 HydrophobicContact CD1-CD1 4.14Å; I297-Y336 HydrophobicContact CD1-CE1 4.05Å; I297-Y336 HydrophobicContact CG1-CD1 4.25Å; I297-Y336 HydrophobicContact CG1-CE1 3.81Å
298	R	79.6	Confident	84	Confident	165 Å²	165	70.1 Å²	70.1	62%	0.623	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.4	173.4	-70.3	-169.8	-69.2	-124.8	8	113.7	N294 C296 G300	N294-R298 VanDerWaalsContact O-CB 3.28Å; N294-R298 WeakPolarHBondContact O-CB 3.48Å; N294-R298 VanDerWaalsContact O-CG 3.32Å; N294-R298 WeakPolarHBondContact O-CG 3.39Å; N294-R298 PolarHBondContact O-N 3.31Å; N294-R298 VanDerWaalsContact O-N 3.15Å; N294-R298 PolarHBondContact O-NE 2.88Å; C296-R298 PolarHBondContact O-N 2.93Å; R298-G300 VanDerWaalsContact C-N 3.29Å
299	K	81.2	Confident	84.4	Confident	141 Å²	141	65.9 Å²	65.9	61%	0.613	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	13.4	172.7	-69.7	172.6	-172.8	150.3	0	112.8	S295 C296 I297 K301	S295-K299 WeakPolarHBondContact O-CB 3.44Å; S295-K299 WeakPolarHBondContact O-CD 3.37Å; S295-K299 WeakPolarHBondContact O-CG 3.26Å; S295-K299 PolarHBondContact OG-NZ 2.82Å; C296-K299 PolarHBondContact O-N 3.36Å; C296-K299 VanDerWaalsContact O-N 3.07Å; I297-K299 PolarHBondContact O-N 3.39Å; K299-K301 PolarHBondContact O-N 3.28Å
300	G	81.6	Confident	84.6	Confident	35 Å²	35	66.4 Å²	66.4	36%	0.361	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.1	14.5	-178.9	0	0	0	0	0	114.2	I297 R298	I297-G300 PolarHBondContact O-N 2.8Å; R298-G300 VanDerWaalsContact C-N 3.29Å
301	K	85.8	Confident	85	Confident	139 Å²	139	66.5 Å²	66.5	60%	0.604	33%	0.326	S	S	*	.			trans	-96.7	140.3	178.4	-61.5	-166.7	177.5	-170.5	0	110.2	C296 K299	C296-K301 CarbonylContact C-O 3.59Å; C296-K301 PolarHBondContact O-N 3.02Å; K299-K301 PolarHBondContact O-N 3.28Å
302	E	89.4	Confident	85.3	Confident	107 Å²	107	64.5 Å²	64.5	50%	0.5	32%	0.315	S	S	.	.			trans	-61.5	146.2	166	58.5	173.3	-120.6	0	0	110.7	K322 I323	E302-K322 IonicContact OE1-NZ 3.33Å; E302-K322 PolarHBondContact OE1-NZ 3.49Å; E302-K322 VanDerWaalsContact OE2-CE 3.29Å; E302-K322 WeakPolarHBondContact OE2-CE 3.37Å; E302-K322 IonicContact OE2-NZ 2.76Å; E302-K322 PolarHBondContact OE2-NZ 2.86Å; E302-I323 WeakPolarHBondContact CA-O 3.46Å
303	W	92.1	Very high	85.1	Confident	21 Å²	21	66.6 Å²	66.6	8%	0.08	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	140.1	171.2	179.7	89.3	0	0	0	109.1	L289 I293 C296 I297 V321 K322 I323	L289-W303 HydrophobicContact CD1-CZ2 3.99Å; I293-W303 HydrophobicContact CD1-CH2 3.88Å; I293-W303 HydrophobicContact CD1-CZ2 3.91Å; I293-W303 HydrophobicContact CD1-CZ3 4.19Å; I293-W303 HydrophobicContact CG1-CD2 3.62Å; I293-W303 VanDerWaalsContact CG1-CE2 3.41Å; I293-W303 HydrophobicContact CG1-CE3 3.96Å; I293-W303 HydrophobicContact CG1-CG 4.17Å; I293-W303 HydrophobicContact CG1-CH2 3.94Å; I293-W303 HydrophobicContact CG1-CZ2 3.6Å; I293-W303 HydrophobicContact CG1-CZ3 4.1Å; C296-W303 HydrophobicContact CB-CB 4Å; C296-W303 HydrophobicContact CB-CG 4.45Å; I297-W303 HydrophobicContact CG2-CB 4.22Å; W303-V321 HydrophobicContact CZ3-CB 4.02Å; W303-V321 HydrophobicContact CZ3-CG1 3.98Å; W303-V321 WeakPolarHBondContact CZ3-O 3.33Å; W303-K322 CarbonylContact O-C 3.57Å; W303-K322 WeakPolarHBondContact O-CA 3.4Å; W303-I323 HydrophobicContact CE3-CD1 4.22Å; W303-I323 HydrophobicContact CE3-CG1 4.23Å; W303-I323 PolarHBondContact N-O 2.97Å; W303-I323 PolarHBondContact O-N 3.22Å
304	Q	91.8	Very high	84.8	Confident	109 Å²	109	67.6 Å²	67.6	51%	0.509	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	136.3	172.5	-175.3	174.2	1.3	0	0	110.2	N320 V321 K322	Q304-N320 PolarHBondContact NE2-OD1 2.73Å; Q304-V321 VanDerWaalsContact CA-O 3.32Å; Q304-V321 WeakPolarHBondContact CA-O 3.38Å; Q304-K322 HydrophobicContact CB-CB 4.34Å; Q304-K322 HydrophobicContact CB-CG 4.46Å; Q304-K322 HydrophobicContact CG-CB 4.16Å
305	G	88.7	Confident	84.8	Confident	19 Å²	19	70.4 Å²	70.4	20%	0.196	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	-178.5	178.2	0	0	0	0	0	114.1	V321	G305-V321 PolarHBondContact N-O 3.38Å; G305-V321 PolarHBondContact O-N 3.41Å
306	I	88.1	Confident	84.8	Confident	84 Å²	84	71.3 Å²	71.3	43%	0.431	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	128	173.9	-63.2	172.4	0	0	0	108.7	Y308 Q318 Q319 L343	I306-Y308 HydrophobicContact CG2-CE2 4.35Å; I306-Q318 HydrophobicContact CG2-CG 3.61Å; I306-Q319 WeakPolarHBondContact CA-O 3.23Å; I306-L343 HydrophobicContact CG1-CD1 4.4Å
307	Y	85.9	Confident	84.8	Confident	41 Å²	41	70.6 Å²	70.6	16%	0.161	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	143.8	175.6	-174.2	-107	0	0	0	109.8	L290 I293 A309 Q319	L290-Y307 HydrophobicContact CD2-CE2 3.93Å; I293-Y307 HydrophobicContact CD1-CD2 4.27Å; Y307-A309 HydrophobicContact CD1-CB 4.08Å; Y307-A309 HydrophobicContact CE1-CB 3.99Å; Y307-Q319 PolarHBondContact N-O 2.76Å; Y307-Q319 PolarHBondContact O-N 3.12Å
308	Y	86.3	Confident	85	Confident	64 Å²	64	73.3 Å²	73.3	25%	0.251	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	111.8	170.8	-64.2	-86.4	0	0	0	109.2	S282 K284 N285 I306 I317 Q318	S282-Y308 WeakPolarHBondContact CB-O 3.41Å; K284-Y308 HydrophobicContact CB-CD1 4.28Å; K284-Y308 HydrophobicContact CB-CD2 3.89Å; K284-Y308 HydrophobicContact CB-CE2 4.45Å; K284-Y308 HydrophobicContact CB-CG 3.79Å; K284-Y308 HydrophobicContact CD-CD1 3.98Å; K284-Y308 HydrophobicContact CD-CE1 4.26Å; K284-Y308 HydrophobicContact CD-CG 4.33Å; N285-Y308 PolarHBondContact ND2-O 3.41Å; N285-Y308 PolarHBondContact OD1-N 3.44Å; I306-Y308 HydrophobicContact CG2-CE2 4.35Å; Y308-I317 WeakPolarHBondContact CA-O 3.1Å; Y308-Q318 HydrophobicContact CD1-CB 3.9Å; Y308-Q318 HydrophobicContact CD1-CG 4.05Å; Y308-Q318 HydrophobicContact CE1-CB 3.68Å; Y308-Q318 HydrophobicContact CE1-CG 3.55Å; Y308-Q318 PolarHBondContact OH-OE1 3.37Å
309	A	84.1	Confident	85.4	Confident	7 Å²	7	65.6 Å²	65.6	6%	0.058	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	151.1	175.9	0	0	0	0	0	110.3	M264 Y307 N316 I317 Q319	M264-A309 HydrophobicContact CE-CB 3.56Å; M264-A309 HydrophobicContact SD-CB 3.98Å; Y307-A309 HydrophobicContact CD1-CB 4.08Å; Y307-A309 HydrophobicContact CE1-CB 3.99Å; A309-N316 WeakPolarHBondContact O-CA 3.28Å; A309-I317 HydrophobicContact CB-CG2 4.14Å; A309-I317 PolarHBondContact N-O 3.31Å; A309-I317 PolarHBondContact O-N 2.84Å; A309-Q319 VanDerWaalsContact CB-OE1 3.27Å
310	K	83.9	Confident	85.9	Confident	57 Å²	57	61.4 Å²	61.4	25%	0.248	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	119.5	177.8	-162	174.1	178	174	0	109.7	M264 P280 G314 D315	M264-K310 WeakPolarHBondContact CE-O 3.47Å; P280-K310 HydrophobicContact CB-CB 4.29Å; P280-K310 HydrophobicContact CB-CD 4.06Å; P280-K310 HydrophobicContact CB-CG 4.49Å; P280-K310 VanDerWaalsContact O-CB 3.26Å; P280-K310 WeakPolarHBondContact O-CB 3.32Å; K310-G314 WeakPolarHBondContact CE-O 3.43Å; K310-D315 CarbonylContact C-O 3.59Å; K310-D315 WeakPolarHBondContact CA-O 3.3Å
311	K	85	Confident	86.4	Confident	55 Å²	55	60 Å²	60	24%	0.239	30%	0.299	C	S	.	.			trans	-68.8	160.6	177.6	-64.8	-163.8	-176.9	-142.9	0	111.1	I263 M264 N313 G314 D315 I317	I263-K311 WeakPolarHBondContact O-CE 3.24Å; I263-K311 PolarHBondContact O-NZ 2.77Å; M264-K311 WeakPolarHBondContact O-CA 3.27Å; M264-K311 WeakPolarHBondContact O-CB 3.36Å; K311-N313 WeakPolarHBondContact CB-OD1 3.43Å; K311-N313 PolarHBondContact O-N 3.15Å; K311-G314 PolarHBondContact O-N 2.88Å; K311-D315 HydrophobicContact CB-CB 4.46Å; K311-D315 HydrophobicContact CD-CB 4.43Å; K311-D315 PolarHBondContact N-O 3.45Å; K311-I317 HydrophobicContact CG-CB 4.48Å; K311-I317 HydrophobicContact CG-CG2 4.12Å
312	K	84.3	Confident	86.7	Confident	101 Å²	101	56.1 Å²	56.1	44%	0.439	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.6	176.4	-169	179	-173.5	177.2	0	113.8	M264 G265 Y266 E270 G314	M264-K312 PolarHBondContact O-N 3.37Å; G265-K312 WeakPolarHBondContact O-CD 3.5Å; Y266-K312 HydrophobicContact CD1-CB 3.83Å; Y266-K312 HydrophobicContact CD1-CD 3.81Å; Y266-K312 HydrophobicContact CD1-CG 3.81Å; Y266-K312 HydrophobicContact CD2-CB 4.31Å; Y266-K312 HydrophobicContact CE1-CB 3.62Å; Y266-K312 HydrophobicContact CE1-CD 4.18Å; Y266-K312 HydrophobicContact CE1-CG 3.65Å; Y266-K312 HydrophobicContact CE2-CB 4.12Å; Y266-K312 HydrophobicContact CG-CB 4.16Å; Y266-K312 HydrophobicContact CG-CD 4.43Å; E270-K312 IonicContact OE1-NZ 2.68Å; E270-K312 PolarHBondContact OE1-NZ 2.79Å; E270-K312 IonicContact OE2-NZ 2.82Å; E270-K312 PolarHBondContact OE2-NZ 3.49Å; K312-G314 PolarHBondContact O-N 2.87Å
313	N	80.8	Confident	86.9	Confident	113 Å²	113	52.1 Å²	52.1	60%	0.604	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-0.8	176.1	75.2	-24.4	0	0	0	114.1	K311 D315	K311-N313 WeakPolarHBondContact CB-OD1 3.43Å; K311-N313 PolarHBondContact O-N 3.15Å; N313-D315 PolarHBondContact ND2-OD2 3.23Å; N313-D315 WeakPolarHBondContact OD1-CB 3.17Å; N313-D315 PolarHBondContact OD1-N 2.81Å
314	G	76.7	Confident	87	Confident	34 Å²	34	53.4 Å²	53.4	35%	0.351	27%	0.274	S	S	.	.	S	Bend	trans	95.7	-12.5	-180	0	0	0	0	0	115.4	K310 K311 K312	K310-G314 WeakPolarHBondContact CE-O 3.43Å; K311-G314 PolarHBondContact O-N 2.88Å; K312-G314 PolarHBondContact O-N 2.87Å
315	D	82.8	Confident	86.9	Confident	94 Å²	94	49 Å²	49	50%	0.503	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-66.8	149.7	179.4	-74.6	-34.7	0	0	0	112.3	K310 K311 N313	K310-D315 CarbonylContact C-O 3.59Å; K310-D315 WeakPolarHBondContact CA-O 3.3Å; K311-D315 HydrophobicContact CB-CB 4.46Å; K311-D315 HydrophobicContact CD-CB 4.43Å; K311-D315 PolarHBondContact N-O 3.45Å; N313-D315 PolarHBondContact ND2-OD2 3.23Å; N313-D315 WeakPolarHBondContact OD1-CB 3.17Å; N313-D315 PolarHBondContact OD1-N 2.81Å
316	N	84.1	Confident	87	Confident	67 Å²	67	50.9 Å²	50.9	36%	0.358	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	117.1	174.8	-62	-84	0	0	0	109.7	S282 K284 A309	S282-N316 VanDerWaalsContact CB-OD1 3.25Å; S282-N316 WeakPolarHBondContact CB-OD1 3.42Å; S282-N316 PolarHBondContact OG-OD1 2.98Å; K284-N316 HydrophobicContact CD-CB 4.38Å; A309-N316 WeakPolarHBondContact O-CA 3.28Å
317	I	85.1	Confident	86.7	Confident	21 Å²	21	52 Å²	52	11%	0.108	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	136.7	174.7	-171.6	168.2	0	0	0	110.5	I263 M264 Y308 A309 K311 Q319 P342	I263-I317 HydrophobicContact CG2-CD1 3.97Å; M264-I317 HydrophobicContact SD-CG2 4.04Å; Y308-I317 WeakPolarHBondContact CA-O 3.1Å; A309-I317 HydrophobicContact CB-CG2 4.14Å; A309-I317 PolarHBondContact N-O 3.31Å; A309-I317 PolarHBondContact O-N 2.84Å; K311-I317 HydrophobicContact CG-CB 4.48Å; K311-I317 HydrophobicContact CG-CG2 4.12Å; I317-Q319 HydrophobicContact CG1-CG 4.39Å; I317-Q319 HydrophobicContact CG2-CG 4.31Å; I317-P342 HydrophobicContact CD1-CB 3.75Å
318	Q	87.8	Confident	86.1	Confident	66 Å²	66	51.6 Å²	51.6	31%	0.308	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	129	171.7	-168.9	179.9	-31.9	0	0	109.4	I306 Y308 L343	I306-Q318 HydrophobicContact CG2-CG 3.61Å; Y308-Q318 HydrophobicContact CD1-CB 3.9Å; Y308-Q318 HydrophobicContact CD1-CG 4.05Å; Y308-Q318 HydrophobicContact CE1-CB 3.68Å; Y308-Q318 HydrophobicContact CE1-CG 3.55Å; Y308-Q318 PolarHBondContact OH-OE1 3.37Å; Q318-L343 HydrophobicContact CG-CD1 4.13Å; Q318-L343 PolarHBondContact O-N 2.84Å
319	Q	89.1	Confident	84.9	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.009	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	144.3	-178.9	-72	166.7	-28.6	0	0	110.6	M264 I306 Y307 A309 I317 V321 R341	M264-Q319 PolarHBondContact SD-NE2 3.49Å; I306-Q319 WeakPolarHBondContact CA-O 3.23Å; Y307-Q319 PolarHBondContact N-O 2.76Å; Y307-Q319 PolarHBondContact O-N 3.12Å; A309-Q319 VanDerWaalsContact CB-OE1 3.27Å; I317-Q319 HydrophobicContact CG1-CG 4.39Å; I317-Q319 HydrophobicContact CG2-CG 4.31Å; Q319-V321 HydrophobicContact CB-CG2 3.81Å; Q319-R341 CarbonylContact C-O 3.54Å; Q319-R341 WeakPolarHBondContact CA-O 3.2Å
320	N	90.5	Very high	83.6	Confident	54 Å²	54	60.6 Å²	60.6	29%	0.289	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	111.4	161.2	-176.9	2.1	0	0	0	106.8	Q304 R341 L343	Q304-N320 PolarHBondContact NE2-OD1 2.73Å; N320-R341 HydrophobicContact CB-CB 4.44Å; N320-R341 PolarHBondContact N-O 3.03Å; N320-R341 PolarHBondContact O-N 2.92Å; N320-L343 HydrophobicContact CB-CD1 4.29Å; N320-L343 HydrophobicContact CB-CD2 4.49Å; N320-L343 HydrophobicContact CB-CG 4.4Å
321	V	92.1	Very high	83.2	Confident	5 Å²	5	60.5 Å²	60.5	3%	0.03	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	131.5	-171.7	170.1	0	0	0	0	108.9	W303 Q304 G305 Q319 I323 S338 I339 N340	W303-V321 HydrophobicContact CZ3-CB 4.02Å; W303-V321 HydrophobicContact CZ3-CG1 3.98Å; W303-V321 WeakPolarHBondContact CZ3-O 3.33Å; Q304-V321 VanDerWaalsContact CA-O 3.32Å; Q304-V321 WeakPolarHBondContact CA-O 3.38Å; G305-V321 PolarHBondContact N-O 3.38Å; G305-V321 PolarHBondContact O-N 3.41Å; Q319-V321 HydrophobicContact CB-CG2 3.81Å; V321-I323 HydrophobicContact CG1-CD1 4.33Å; V321-I323 HydrophobicContact CG1-CG1 3.84Å; V321-S338 WeakPolarHBondContact CG1-OG 3.46Å; V321-I339 WeakPolarHBondContact CA-O 3.37Å; V321-N340 WeakPolarHBondContact CG1-OD1 3.29Å; V321-N340 HydrophobicContact CG2-CB 4.24Å
322	K	93.3	Very high	82.9	Confident	58 Å²	58	63 Å²	63	25%	0.252	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.2	167.6	175.2	163.8	175.5	158	0	110	E302 W303 Q304 S338 I339	E302-K322 IonicContact OE1-NZ 3.33Å; E302-K322 PolarHBondContact OE1-NZ 3.49Å; E302-K322 VanDerWaalsContact OE2-CE 3.29Å; E302-K322 WeakPolarHBondContact OE2-CE 3.37Å; E302-K322 IonicContact OE2-NZ 2.76Å; E302-K322 PolarHBondContact OE2-NZ 2.86Å; W303-K322 CarbonylContact O-C 3.57Å; W303-K322 WeakPolarHBondContact O-CA 3.4Å; Q304-K322 HydrophobicContact CB-CB 4.34Å; Q304-K322 HydrophobicContact CB-CG 4.46Å; Q304-K322 HydrophobicContact CG-CB 4.16Å; K322-S338 WeakPolarHBondContact O-CA 3.38Å; K322-I339 PolarHBondContact N-O 3.3Å; K322-I339 PolarHBondContact O-N 3.47Å
323	I	92.8	Very high	83	Confident	23 Å²	23	59.7 Å²	59.7	12%	0.118	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	124.5	176.7	-49.9	176.3	0	0	0	108.7	I293 I297 E302 W303 V321 V337	I293-I323 HydrophobicContact CG2-CD1 3.74Å; I297-I323 HydrophobicContact CG2-CB 4.12Å; I297-I323 HydrophobicContact CG2-CG2 3.85Å; E302-I323 WeakPolarHBondContact CA-O 3.46Å; W303-I323 HydrophobicContact CE3-CD1 4.22Å; W303-I323 HydrophobicContact CE3-CG1 4.23Å; W303-I323 PolarHBondContact N-O 2.97Å; W303-I323 PolarHBondContact O-N 3.22Å; V321-I323 HydrophobicContact CG1-CD1 4.33Å; V321-I323 HydrophobicContact CG1-CG1 3.84Å; I323-V337 WeakPolarHBondContact CA-O 3.32Å
324	T	93.4	Very high	83.3	Confident	48 Å²	48	58 Å²	58	29%	0.294	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	117.1	-179.5	-50.1	0	0	0	0	109.5	V337	T324-V337 PolarHBondContact N-O 3.43Å; T324-V337 PolarHBondContact O-N 3.3Å
325	P	91.5	Very high	84	Confident	16 Å²	16	59.8 Å²	59.8	10%	0.104	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	132.9	174.3	27.2	-31	0	0	0	110.9	I333 Y336	P325-I333 HydrophobicContact CB-CD1 3.9Å; P325-I333 HydrophobicContact CB-CG1 4.16Å; P325-I333 HydrophobicContact CB-CG2 3.67Å; P325-Y336 HydrophobicContact CB-CD1 3.91Å; P325-Y336 HydrophobicContact CB-CE1 4Å
326	V	88.9	Confident	84.4	Confident	58 Å²	58	56.1 Å²	56.1	35%	0.352	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	110.3	177.2	-177.8	0	0	0	0	109.2	R334 H335 V337	V326-R334 PolarHBondContact O-N 3.39Å; V326-H335 HydrophobicContact CB-CB 4.16Å; V326-H335 HydrophobicContact CG2-CB 4.45Å; V326-H335 PolarHBondContact N-O 3.38Å; V326-V337 HydrophobicContact CG2-CG2 3.64Å
327	I	82.8	Confident	84.8	Confident	108 Å²	108	54.3 Å²	54.3	55%	0.554	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	122.4	178	-61	175	0	0	0	109.2
328	G	73.8	Confident	85.2	Confident	32 Å²	32	53.8 Å²	53.8	33%	0.33	31%	0.306	S	S	.	.			trans	-95	-156.8	177.1	0	0	0	0	0	113.3	G331 K332	G328-G331 PolarHBondContact O-N 3.39Å; G328-K332 PolarHBondContact N-O 2.78Å
329	Q	60	Low	85.5	Confident	182 Å²	182	53.1 Å²	53.1	85%	0.85	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-62.5	146	172	-69.2	174.2	-23.5	0	0	110.9	G331	Q329-G331 PolarHBondContact O-N 3.31Å
330	G	57.2	Low	85.6	Confident	79 Å²	79	53.5 Å²	53.5	81%	0.814	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	69.8	12.3	-178	0	0	0	0	0	115.3	K332	G330-K332 PolarHBondContact O-N 3.02Å; G330-K332 VanDerWaalsContact O-N 3.11Å
331	G	75	Confident	85.6	Confident	54 Å²	54	57 Å²	57	56%	0.557	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	74.2	-4.5	179.2	0	0	0	0	0	115.1	G328 Q329	G328-G331 PolarHBondContact O-N 3.39Å; Q329-G331 PolarHBondContact O-N 3.31Å
332	K	79.8	Confident	85.3	Confident	109 Å²	109	59 Å²	59	47%	0.474	33%	0.328	S	S	.	.			trans	-68.6	139.3	174.8	-61.8	179.1	-178.3	176	0	109.8	G328 G330 R334 D468	G328-K332 PolarHBondContact N-O 2.78Å; G330-K332 PolarHBondContact O-N 3.02Å; G330-K332 VanDerWaalsContact O-N 3.11Å; K332-R334 PolarHBondContact O-N 2.97Å; K332-D468 IonicContact NZ-OD2 3.23Å
333	I	85.2	Confident	84.7	Confident	31 Å²	31	60 Å²	60	16%	0.159	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	122.3	172.1	-55.3	168.2	0	0	0	107.1	E249 I297 P325 H335 Y336	E249-I333 WeakPolarHBondContact CB-O 3.48Å; I297-I333 WeakPolarHBondContact O-CD1 3.41Å; P325-I333 HydrophobicContact CB-CD1 3.9Å; P325-I333 HydrophobicContact CB-CG1 4.16Å; P325-I333 HydrophobicContact CB-CG2 3.67Å; I333-H335 WeakPolarHBondContact CG2-O 3.5Å; I333-Y336 HydrophobicContact CD1-CE1 4.4Å; I333-Y336 HydrophobicContact CG2-CD1 4.22Å; I333-Y336 HydrophobicContact CG2-CE1 3.76Å
334	R	86.9	Confident	83.4	Confident	77 Å²	77	65 Å²	65	29%	0.291	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	-24.7	-178	-67	-52.9	-155.4	167.1	6.4	114	E249 V326 K332	E249-R334 PolarHBondContact N-O 3.43Å; E249-R334 VanDerWaalsContact N-O 3.09Å; E249-R334 IonicContact OE1-NH1 2.66Å; E249-R334 PolarHBondContact OE1-NH1 3.1Å; E249-R334 WeakPolarHBondContact OE2-CD 3.3Å; E249-R334 IonicContact OE2-CZ 2.78Å; E249-R334 IonicContact OE2-NE 3.3Å; E249-R334 IonicContact OE2-NH1 3.48Å; E249-R334 PolarHBondContact OE2-NH1 3.47Å; V326-R334 PolarHBondContact O-N 3.39Å; K332-R334 PolarHBondContact O-N 2.97Å
335	H	91.2	Very high	81.2	Confident	71 Å²	71	70.4 Å²	70.4	33%	0.329	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	159.7	177.6	-46.2	-88.8	0	0	0	110.8	I246 T247 Q254 V326 I333	I246-H335 HydrophobicContact CG2-CB 4.12Å; T247-H335 CarbonylContact O-C 3.56Å; T247-H335 WeakPolarHBondContact O-CA 3.44Å; T247-H335 VanDerWaalsContact O-CB 3.3Å; T247-H335 WeakPolarHBondContact O-CB 3.41Å; Q254-H335 PolarHBondContact OE1-CE1 3.08Å; Q254-H335 PolarHBondContact OE1-ND1 3.02Å; V326-H335 HydrophobicContact CB-CB 4.16Å; V326-H335 HydrophobicContact CG2-CB 4.45Å; V326-H335 PolarHBondContact N-O 3.38Å; I333-H335 WeakPolarHBondContact CG2-O 3.5Å
336	Y	91.8	Very high	78.8	Confident	17 Å²	17	76.6 Å²	76.6	7%	0.067	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.4	163.3	-53.5	-87.6	0	0	0	109.3	I246 T247 S248 I297 P325 I333	I246-Y336 WeakPolarHBondContact CA-O 3.2Å; T247-Y336 PolarHBondContact N-O 3.07Å; T247-Y336 PolarHBondContact O-N 3.25Å; S248-Y336 WeakPolarHBondContact O-CD2 3.43Å; I297-Y336 HydrophobicContact CB-CD1 3.93Å; I297-Y336 HydrophobicContact CB-CE1 3.69Å; I297-Y336 HydrophobicContact CD1-CD1 4.14Å; I297-Y336 HydrophobicContact CD1-CE1 4.05Å; I297-Y336 HydrophobicContact CG1-CD1 4.25Å; I297-Y336 HydrophobicContact CG1-CE1 3.81Å; P325-Y336 HydrophobicContact CB-CD1 3.91Å; P325-Y336 HydrophobicContact CB-CE1 4Å; I333-Y336 HydrophobicContact CD1-CE1 4.4Å; I333-Y336 HydrophobicContact CG2-CD1 4.22Å; I333-Y336 HydrophobicContact CG2-CE1 3.76Å
337	V	93.6	Very high	76.4	Confident	30 Å²	30	80.3 Å²	80.3	18%	0.182	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	116.6	173.3	178.4	0	0	0	0	108.3	I244 I246 I323 T324 V326 I339	I244-V337 HydrophobicContact CG2-CG1 4.42Å; I246-V337 HydrophobicContact CD1-CG2 4.48Å; I246-V337 HydrophobicContact CG1-CG2 4.2Å; I246-V337 HydrophobicContact CG2-CG2 4.38Å; I323-V337 WeakPolarHBondContact CA-O 3.32Å; T324-V337 PolarHBondContact N-O 3.43Å; T324-V337 PolarHBondContact O-N 3.3Å; V326-V337 HydrophobicContact CG2-CG2 3.64Å; V337-I339 HydrophobicContact CG1-CG1 4.38Å
338	S	92.2	Very high	74.3	Confident	10 Å²	10	85.5 Å²	85.5	7%	0.07	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	134.5	172.8	-159.7	0	0	0	0	110.8	I244 E245 V321 K322 N340	I244-S338 WeakPolarHBondContact CA-O 3.16Å; E245-S338 PolarHBondContact N-O 3.02Å; E245-S338 PolarHBondContact O-N 2.86Å; V321-S338 WeakPolarHBondContact CG1-OG 3.46Å; K322-S338 WeakPolarHBondContact O-CA 3.38Å; S338-N340 PolarHBondContact OG-OD1 2.6Å
339	I	93.6	Very high	72.6	Confident	52 Å²	52	87.7 Å²	87.7	27%	0.267	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114.1	175.1	-54.2	-179.9	0	0	0	107.7	D242 V321 K322 V337	D242-I339 HydrophobicContact CB-CG2 3.78Å; V321-I339 WeakPolarHBondContact CA-O 3.37Å; K322-I339 PolarHBondContact N-O 3.3Å; K322-I339 PolarHBondContact O-N 3.47Å; V337-I339 HydrophobicContact CG1-CG1 4.38Å
340	N	91.4	Very high	71.1	Confident	9 Å²	9	86.7 Å²	86.7	5%	0.048	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	103.7	-165	-57.5	-17.6	0	0	0	109.8	A243 V321 S338	A243-N340 HydrophobicContact CB-CB 4.07Å; A243-N340 WeakPolarHBondContact CB-O 3.25Å; A243-N340 PolarHBondContact N-O 3.4Å; A243-N340 PolarHBondContact O-N 2.97Å; V321-N340 WeakPolarHBondContact CG1-OD1 3.29Å; V321-N340 HydrophobicContact CG2-CB 4.24Å; S338-N340 PolarHBondContact OG-OD1 2.6Å
341	R	90.8	Very high	70.1	Confident	129 Å²	129	92.8 Å²	92.8	49%	0.487	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	118.2	-178.8	-65.4	-166.3	169.9	140	5.9	111.9	D242 Q319 N320	D242-R341 WeakPolarHBondContact OD1-CD 3.29Å; D242-R341 VanDerWaalsContact OD1-CG 3.3Å; D242-R341 WeakPolarHBondContact OD1-CG 3.35Å; D242-R341 IonicContact OD1-CZ 3.35Å; D242-R341 IonicContact OD1-NE 3.49Å; D242-R341 PolarHBondContact OD1-NE 2.93Å; D242-R341 IonicContact OD1-NH2 3.79Å; D242-R341 IonicContact OD2-CZ 2.81Å; D242-R341 VanDerWaalsContact OD2-CZ 3.23Å; D242-R341 IonicContact OD2-NE 3.82Å; D242-R341 PolarHBondContact OD2-NE 3.26Å; D242-R341 IonicContact OD2-NH2 2.82Å; D242-R341 PolarHBondContact OD2-NH2 2.76Å; Q319-R341 CarbonylContact C-O 3.54Å; Q319-R341 WeakPolarHBondContact CA-O 3.2Å; N320-R341 HydrophobicContact CB-CB 4.44Å; N320-R341 PolarHBondContact N-O 3.03Å; N320-R341 PolarHBondContact O-N 2.92Å
342	P	85.9	Confident	68	Low	46 Å²	46	95.6 Å²	95.6	30%	0.299	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	132.6	179.3	29.2	-34.4	0	0	0	111.7	I263 I317	I263-P342 HydrophobicContact CD1-CG 3.9Å; I263-P342 HydrophobicContact CG1-CG 4.37Å; I263-P342 HydrophobicContact CG2-CB 4.42Å; I317-P342 HydrophobicContact CD1-CB 3.75Å
343	L	81.3	Confident	65.6	Low	79 Å²	79	94.5 Å²	94.5	41%	0.414	50%	0.496	S	S	.	.			trans	-96.3	99.6	174.2	-68.4	172.3	0	0	0	109.1	I306 Q318 N320	I306-L343 HydrophobicContact CG1-CD1 4.4Å; Q318-L343 HydrophobicContact CG-CD1 4.13Å; Q318-L343 PolarHBondContact O-N 2.84Å; N320-L343 HydrophobicContact CB-CD1 4.29Å; N320-L343 HydrophobicContact CB-CD2 4.49Å; N320-L343 HydrophobicContact CB-CG 4.4Å
344	N	65.3	Low	62.9	Low	127 Å²	127	100.3 Å²	100.3	68%	0.679	53%	0.528	S	S	*	.			trans	-86.5	132.6	175.2	-73.2	-23.9	0	0	0	110.8	N346	N344-N346 PolarHBondContact O-N 3.3Å; N344-N346 VanDerWaalsContact O-N 3.09Å
345	D	48	Very low	60.1	Low	163 Å²	163	108 Å²	108	87%	0.872	56%	0.557	S	S	*	*	S	Bend	trans	-64	-10.4	174.1	-89.4	-48.1	0	0	0	114.2	N347	D345-N347 VanDerWaalsContact C-N 3.3Å; D345-N347 PolarHBondContact O-N 2.98Å
346	N	41.1	Very low	57.1	Low	146 Å²	146	111.5 Å²	111.5	78%	0.781	58%	0.582	S	S	*	*			trans	-79.7	72.7	178.3	-77.1	-13.3	0	0	0	112.1	N344	N344-N346 PolarHBondContact O-N 3.3Å; N344-N346 VanDerWaalsContact O-N 3.09Å
347	N	37.9	Very low	54.1	Low	135 Å²	135	117.6 Å²	117.6	72%	0.722	61%	0.612	S	S	*	*			trans	-163.3	87	140.3	-100.1	-15.6	0	0	0	111.6	D345 S349	D345-N347 VanDerWaalsContact C-N 3.3Å; D345-N347 PolarHBondContact O-N 2.98Å; N347-S349 PolarHBondContact O-N 2.9Å
348	K	37.5	Very low	51	Low	217 Å²	217	121.3 Å²	121.3	94%	0.943	65%	0.646	S	S	*	*			trans	-77	37.7	166.3	-76.6	-176.2	175.8	172.9	0	112.5
349	S	38	Very low	47.8	Very low	78 Å²	78	128.7 Å²	128.7	55%	0.545	68%	0.679	S	S	.	*			trans	-162.5	73.8	-179.4	54.7	0	0	0	0	110.6	N347	N347-S349 PolarHBondContact O-N 2.9Å
350	D	29.1	Very low	44.6	Very low	161 Å²	161	131.5 Å²	131.5	86%	0.861	70%	0.703	S	S	*	*				-160.3	148.1	109	-97.2	-28.1	0	0	0	111.9
351	K	37.2	Very low	41.5	Very low	207 Å²	207	139.6 Å²	139.6	90%	0.9	74%	0.741	S	S	*	*			trans	-130.1	100.6	-179.6	-78	-174.9	178.8	178.6	0	110.7
352	S	30.6	Very low	38.4	Very low	113 Å²	113	138.7 Å²	138.7	79%	0.79	75%	0.75	S	S	*	*			trans	-169.1	139.9	158	41.2	0	0	0	0	110.6
353	A	29.2	Very low	35.4	Very low	87 Å²	87	143.7 Å²	143.7	72%	0.719	77%	0.774	S	S	*	*	S	Bend	trans	55.8	127.4	174	0	0	0	0	0	117.6
354	D	28.1	Very low	32.7	Very low	153 Å²	153	146.4 Å²	146.4	82%	0.818	79%	0.787	S	S	*	*			cis	-140.3	146.9	-9.7	-91.2	-42.5	0	0	0	110.7
355	R	27.2	Very low	30.9	Very low	239 Å²	239	149.2 Å²	149.2	90%	0.902	80%	0.797	S	S	*	*			trans	-118	110	165.3	-80.9	-176.2	170.7	-168.4	-3.6	108.1
356	V	28.6	Very low	29.7	Very low	143 Å²	143	146.2 Å²	146.2	87%	0.867	79%	0.788	S	S	*	*			trans	-103.1	122.8	158.3	-179.1	0	0	0	0	107
357	Q	28.5	Very low	28.9	Very low	145 Å²	145	145.9 Å²	145.9	68%	0.678	80%	0.796	S	S	*	*			trans	-74.8	146.5	-178.4	-77.6	160.2	-114.2	0	0	111.2	E359	Q357-E359 PolarHBondContact NE2-OE1 3.18Å; Q357-E359 PolarHBondContact O-N 2.95Å
358	A	28.9	Very low	28.2	Very low	109 Å²	109	148.5 Å²	148.5	90%	0.901	80%	0.801	S	S	*	*			trans	-81.1	104.1	155.2	0	0	0	0	0	108.3
359	E	25.6	Very low	27.7	Very low	165 Å²	165	147.3 Å²	147.3	77%	0.771	80%	0.798	S	S	*	*			trans	-127.9	137.3	162.7	-85.5	-178.5	-157.3	0	0	109.4	Q357	Q357-E359 PolarHBondContact NE2-OE1 3.18Å; Q357-E359 PolarHBondContact O-N 2.95Å
360	S	26.4	Very low	27	Very low	110 Å²	110	152.2 Å²	152.2	77%	0.769	81%	0.81	S	S	*	*			trans	-126.7	109.7	-173.3	59.3	0	0	0	0	110.4
361	Q	25.4	Very low	26.9	Very low	180 Å²	180	150.6 Å²	150.6	84%	0.841	80%	0.801	S	S	*	*			trans	-160.3	125.8	148.7	-117.8	158.8	54.3	0	0	113.4
362	T	25.5	Very low	26.5	Very low	110 Å²	110	149.1 Å²	149.1	68%	0.675	79%	0.79	S	S	*	*			trans	39.4	129.6	143.3	55.5	0	0	0	0	120.5
363	D	22.9	Very low	26.4	Very low	150 Å²	150	153.2 Å²	153.2	80%	0.802	79%	0.788	S	S	*	*				-127.6	133.7	128.5	-144.9	-22.1	0	0	0	109.5
364	I	25.8	Very low	26.4	Very low	136 Å²	136	158.3 Å²	158.3	70%	0.697	79%	0.794	S	S	*	*			trans	-133.6	101.4	177.5	-61.5	179	0	0	0	107.7
365	Q	26.5	Very low	26.2	Very low	187 Å²	187	154.7 Å²	154.7	87%	0.874	79%	0.793	S	S	*	*			trans	-81.5	123	165.8	-68	-167.6	2.1	0	0	110
366	S	24.5	Very low	26.2	Very low	100 Å²	100	148.5 Å²	148.5	70%	0.699	79%	0.786	S	S	*	*			trans	-120.4	118.3	167.9	62.6	0	0	0	0	110.4
367	C	22.7	Very low	26.3	Very low	138 Å²	138	148.6 Å²	148.6	93%	0.932	78%	0.781	S	S	*	*			trans	-95.5	138	163.5	-89.3	0	0	0	0	109.3
368	K	24.8	Very low	26.4	Very low	190 Å²	190	147.7 Å²	147.7	83%	0.826	78%	0.78	S	S	*	*			trans	-88.5	138.4	-169.9	-59.9	164.3	-176.5	167.3	0	110.6
369	H	26	Very low	26.4	Very low	192 Å²	192	147.7 Å²	147.7	89%	0.889	77%	0.769	S	S	*	*			trans	-156.8	155.2	130.5	-118.6	-83.3	0	0	0	112.9
370	K	24.6	Very low	26.5	Very low	182 Å²	182	149.1 Å²	149.1	79%	0.791	77%	0.773	S	S	*	*			trans	-83.9	160.1	167.4	-63.9	177.6	-179.5	175.6	0	107.9
371	D	26.3	Very low	26.6	Very low	127 Å²	127	147.9 Å²	147.9	68%	0.679	76%	0.764	S	S	*	*				-166.8	164.4	55	-140.6	-15.5	0	0	0	117.6
372	R	27.8	Very low	26.7	Very low	175 Å²	175	146 Å²	146	66%	0.66	76%	0.758	S	S	*	*			trans	3.1	144.4	157.3	-81.4	159.9	144.8	179.2	-3.7	124.6
373	R	29.5	Very low	26.9	Very low	200 Å²	200	146.6 Å²	146.6	76%	0.755	76%	0.762	S	S	*	*			trans	77.1	153.7	135.3	-77.6	172.3	173.4	178	-4.5	117.4
374	K	29	Very low	27.2	Very low	194 Å²	194	144 Å²	144	84%	0.843	76%	0.755	S	S	*	*			cis	-162	140.6	-2.7	-144.2	-170.1	175.9	-165.4	0	111.4
375	G	24.8	Very low	27.5	Very low	77 Å²	77	149.5 Å²	149.5	79%	0.794	77%	0.767	S	S	*	*			trans	62.2	174.6	154	0	0	0	0	0	118.5
376	S	26.9	Very low	27.5	Very low	109 Å²	109	144.5 Å²	144.5	76%	0.762	77%	0.767	S	S	*	*			cis	-161.8	156.6	-9.9	-163.5	0	0	0	0	111.7
377	L	30.6	Very low	27.8	Very low	145 Å²	145	145.1 Å²	145.1	76%	0.759	77%	0.771	S	S	*	*			trans	-2.4	153	146.5	-54.4	176.2	0	0	0	118.7
378	D	29.3	Very low	28	Very low	125 Å²	125	145.3 Å²	145.3	67%	0.668	76%	0.762	S	S	*	*			cis	-162.4	147.1	20.4	-113.8	-12	0	0	0	108.7
379	V	28.9	Very low	28.5	Very low	109 Å²	109	141.1 Å²	141.1	66%	0.661	76%	0.763	S	S	*	*				84.7	135	70.7	167.2	0	0	0	0	116.7
380	K	27.8	Very low	28.7	Very low	195 Å²	195	137 Å²	137	85%	0.848	76%	0.756	S	S	*	*			trans	77	158.3	168.5	-76.6	160.7	-172.6	170.6	0	119.8
381	S	28.3	Very low	28.9	Very low	85 Å²	85	133.1 Å²	133.1	59%	0.594	75%	0.752	S	S	*	*			cis	174.2	169.7	-37.5	57.7	0	0	0	0	112.6
382	I	29.2	Very low	29	Very low	140 Å²	140	134.4 Å²	134.4	72%	0.718	75%	0.754	S	S	*	*			trans	88.9	111.3	142.1	-84.2	166.7	0	0	0	121.1
383	T	28	Very low	29.3	Very low	123 Å²	123	136.9 Å²	136.9	76%	0.755	76%	0.763	S	S	*	*			trans	62.5	161	141.1	63.6	0	0	0	0	122.2
384	S	30.5	Very low	29.5	Very low	94 Å²	94	138.3 Å²	138.3	66%	0.657	77%	0.768	S	S	*	*			cis	-175.4	158.5	-24.3	59	0	0	0	0	112.3
385	R	32.8	Very low	29.6	Very low	252 Å²	252	136.6 Å²	136.6	95%	0.951	76%	0.763	S	S	*	*			trans	56.8	124.3	151.8	-74.1	178.1	171	-177.5	-3.1	119.7
386	G	26.1	Very low	29.9	Very low	83 Å²	83	135.7 Å²	135.7	86%	0.856	75%	0.745	S	S	*	*			trans	-174.3	132	160.6	0	0	0	0	0	110.7
387	S	30	Very low	30.4	Very low	112 Å²	112	133.6 Å²	133.6	78%	0.783	73%	0.73	S	S	*	*			trans	-87.1	137.6	-175.6	50.6	0	0	0	0	113.2
388	D	27.1	Very low	30.5	Very low	142 Å²	142	131.3 Å²	131.3	76%	0.759	72%	0.717	S	S	*	*			trans	-157.7	125.8	142.8	-107	-31.5	0	0	0	110.5
389	A	34.3	Very low	30.7	Very low	102 Å²	102	128.1 Å²	128.1	84%	0.843	71%	0.708	S	S	*	*			trans	-133.5	64.5	-162.6	0	0	0	0	0	113.3
390	S	31.3	Very low	31.1	Very low	107 Å²	107	132 Å²	132	75%	0.748	71%	0.711	S	S	*	*	S	Bend	trans	-148.7	-33.6	174.5	54.5	0	0	0	0	115.2
391	S	28.1	Very low	31.4	Very low	99 Å²	99	128 Å²	128	69%	0.692	70%	0.698	S	S	*	*	S	Bend	trans	-103.4	-3.4	-165.8	-54.7	0	0	0	0	117.2	R393	S391-R393 PolarHBondContact O-N 3.45Å
392	Q	29.2	Very low	31.8	Very low	155 Å²	155	129.6 Å²	129.6	72%	0.724	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-11.5	-162	-75.9	177.1	-26.1	0	0	117.1	R394 H395	Q392-R394 PolarHBondContact O-N 2.86Å; Q392-H395 PolarHBondContact O-N 2.95Å
393	R	33.5	Very low	31.8	Very low	226 Å²	226	126.8 Å²	126.8	85%	0.853	69%	0.688	S	S	*	*	H	α-helix	trans	-68.6	-26.9	-174.4	-69.8	-167.1	-172.8	-175.9	4.4	115	S391 H395 S396	S391-R393 PolarHBondContact O-N 3.45Å; R393-H395 VanDerWaalsContact C-N 3.31Å; R393-H395 PolarHBondContact O-N 2.89Å; R393-S396 WeakPolarHBondContact CA-OG 3.31Å; R393-S396 PolarHBondContact O-N 3.01Å; R393-S396 PolarHBondContact O-OG 3.34Å
394	R	34.5	Very low	32	Very low	230 Å²	230	126.9 Å²	126.9	87%	0.868	68%	0.681	S	S	*	*	H	α-helix	trans	-75.1	-12.4	-178.3	-78.6	-174.2	171.8	172.8	-3.7	115	Q392	Q392-R394 PolarHBondContact O-N 2.86Å
395	H	30.9	Very low	32.2	Very low	158 Å²	158	128.3 Å²	128.3	73%	0.731	69%	0.686	S	S	*	*	H	α-helix	trans	-111.3	-3.4	172.7	-73.9	-75.4	0	0	0	113.6	Q392 R393 A399	Q392-H395 PolarHBondContact O-N 2.95Å; R393-H395 VanDerWaalsContact C-N 3.31Å; R393-H395 PolarHBondContact O-N 2.89Å; H395-A399 PolarHBondContact O-N 3.16Å
396	S	31.9	Very low	32.6	Very low	58 Å²	58	122.5 Å²	122.5	41%	0.406	67%	0.673	S	S	.	*	H	α-helix	trans	-81.9	-15.6	178.7	56	0	0	0	0	114.8	R393 R400	R393-S396 WeakPolarHBondContact CA-OG 3.31Å; R393-S396 PolarHBondContact O-N 3.01Å; R393-S396 PolarHBondContact O-OG 3.34Å; S396-R400 PolarHBondContact O-N 3.16Å
397	S	36.2	Very low	33.1	Very low	66 Å²	66	122.2 Å²	122.2	46%	0.462	65%	0.649	S	S	.	*	H	α-helix	trans	-68.4	-58.9	173.8	42.4	0	0	0	0	111	A399 R400 I401	S397-A399 VanDerWaalsContact C-N 3.26Å; S397-A399 PolarHBondContact O-N 2.82Å; S397-R400 WeakPolarHBondContact O-CB 3.33Å; S397-R400 PolarHBondContact O-N 3Å; S397-I401 PolarHBondContact O-N 3.48Å
398	M	33.7	Very low	33.9	Very low	96 Å²	96	118.3 Å²	118.3	47%	0.473	62%	0.624	S	S	.	*	H	α-helix	trans	-54.9	-41.1	173.4	-71.7	-62.3	180	0	0	112.1	R400 I401 H402	M398-R400 PolarHBondContact O-N 3.1Å; M398-I401 PolarHBondContact O-N 3.28Å; M398-I401 VanDerWaalsContact O-N 3.12Å; M398-I401 HydrophobicContact SD-CD1 4.01Å; M398-H402 PolarHBondContact O-CD2 3.46Å; M398-H402 PolarHBondContact O-N 3.46Å
399	A	33.2	Very low	34.7	Very low	58 Å²	58	116 Å²	116	48%	0.479	62%	0.616	S	S	.	*	H	α-helix	trans	-60.3	-30.4	175.9	0	0	0	0	0	113.5	H395 S397 S403	H395-A399 PolarHBondContact O-N 3.16Å; S397-A399 VanDerWaalsContact C-N 3.26Å; S397-A399 PolarHBondContact O-N 2.82Å; A399-S403 WeakPolarHBondContact O-CB 3.3Å; A399-S403 PolarHBondContact O-N 3.25Å; A399-S403 PolarHBondContact O-OG 2.99Å
400	R	36	Very low	35.4	Very low	191 Å²	191	112.4 Å²	112.4	72%	0.721	58%	0.583	S	S	*	*	H	α-helix	trans	-71.8	-45.8	172	-81.3	-175.9	174.6	178.1	-2.1	111.8	S396 S397 M398 H402 S403 M404	S396-R400 PolarHBondContact O-N 3.16Å; S397-R400 WeakPolarHBondContact O-CB 3.33Å; S397-R400 PolarHBondContact O-N 3Å; M398-R400 PolarHBondContact O-N 3.1Å; R400-H402 VanDerWaalsContact C-N 3.3Å; R400-H402 PolarHBondContact O-N 3.03Å; R400-S403 WeakPolarHBondContact CA-OG 3.29Å; R400-S403 PolarHBondContact O-N 2.77Å; R400-S403 PolarHBondContact O-OG 3.14Å; R400-M404 PolarHBondContact O-N 2.98Å; R400-M404 VanDerWaalsContact O-N 3.12Å
401	I	35.1	Very low	36.3	Very low	112 Å²	112	109.5 Å²	109.5	57%	0.574	56%	0.561	S	S	*	*	H	α-helix	trans	-55.4	-44.2	177.6	-63	167.2	0	0	0	110.7	S397 M398	S397-I401 PolarHBondContact O-N 3.48Å; M398-I401 PolarHBondContact O-N 3.28Å; M398-I401 VanDerWaalsContact O-N 3.12Å; M398-I401 HydrophobicContact SD-CD1 4.01Å
402	H	35.7	Very low	37.5	Very low	117 Å²	117	109.6 Å²	109.6	54%	0.542	55%	0.549	S	S	.	.	H	α-helix	trans	-77.1	-23.8	174.4	-58.5	-71	0	0	0	114.5	M398 R400 M404 E710	M398-H402 PolarHBondContact O-CD2 3.46Å; M398-H402 PolarHBondContact O-N 3.46Å; R400-H402 VanDerWaalsContact C-N 3.3Å; R400-H402 PolarHBondContact O-N 3.03Å; H402-M404 VanDerWaalsContact C-N 3.34Å; H402-E710 IonicContact CE1-OE1 3.22Å; H402-E710 IonicContact NE2-OE1 3.45Å
403	S	30.2	Very low	38.8	Very low	82 Å²	82	105.4 Å²	105.4	57%	0.573	53%	0.534	S	S	*	.	H	α-helix	trans	-74.8	-23.2	178.1	74.1	0	0	0	0	113.7	A399 R400 T405	A399-S403 WeakPolarHBondContact O-CB 3.3Å; A399-S403 PolarHBondContact O-N 3.25Å; A399-S403 PolarHBondContact O-OG 2.99Å; R400-S403 WeakPolarHBondContact CA-OG 3.29Å; R400-S403 PolarHBondContact O-N 2.77Å; R400-S403 PolarHBondContact O-OG 3.14Å; S403-T405 PolarHBondContact O-N 3.25Å; S403-T405 VanDerWaalsContact O-N 3.14Å
404	M	32.1	Very low	40.3	Very low	124 Å²	124	96 Å²	96	61%	0.611	50%	0.5	S	S	*	.			trans	-85.1	82	176.1	-72.5	-175.8	63	0	0	110.3	R400 H402 I406	R400-M404 PolarHBondContact O-N 2.98Å; R400-M404 VanDerWaalsContact O-N 3.12Å; H402-M404 VanDerWaalsContact C-N 3.34Å; M404-I406 HydrophobicContact CE-CD1 3.63Å; M404-I406 HydrophobicContact CE-CG1 4.4Å; M404-I406 PolarHBondContact O-N 3.45Å
405	T	35.3	Very low	41.5	Very low	124 Å²	124	88.2 Å²	88.2	76%	0.761	48%	0.476	S	S	*	.			trans	-71.3	45.4	169.2	45.5	0	0	0	0	113	S403 E407	S403-T405 PolarHBondContact O-N 3.25Å; S403-T405 VanDerWaalsContact O-N 3.14Å; T405-E407 PolarHBondContact O-N 2.87Å
406	I	40.2	Very low	43.4	Very low	131 Å²	131	86 Å²	86	67%	0.672	47%	0.468	S	S	*	.			trans	-78.3	68.3	159.3	-48.1	-175.9	0	0	0	107.3	M404 A408	M404-I406 HydrophobicContact CE-CD1 3.63Å; M404-I406 HydrophobicContact CE-CG1 4.4Å; M404-I406 PolarHBondContact O-N 3.45Å; I406-A408 PolarHBondContact O-N 2.82Å
407	E	37.3	Very low	45.4	Very low	76 Å²	76	84.2 Å²	84.2	36%	0.355	45%	0.454	S	S	.	.			trans	-58.3	110.6	150	-81.6	-173.7	103.8	0	0	106.3	T405 T411 K412 N415	T405-E407 PolarHBondContact O-N 2.87Å; E407-T411 HydrophobicContact CG-CG2 4.2Å; E407-K412 HydrophobicContact CB-CD 4.25Å; E407-K412 HydrophobicContact CB-CG 3.94Å; E407-K412 HydrophobicContact CG-CG 4.39Å; E407-K412 WeakPolarHBondContact OE2-CE 3.25Å; E407-K412 WeakPolarHBondContact OE2-CG 3.31Å; E407-K412 IonicContact OE2-NZ 3.65Å; E407-N415 PolarHBondContact OE1-ND2 3.09Å
408	A	46.3	Very low	47.1	Very low	30 Å²	30	83.5 Å²	83.5	25%	0.248	44%	0.444	C	S	.	.			trans	-52.9	147	167.3	0	0	0	0	0	108.5	I406 I410 T411 K412	I406-A408 PolarHBondContact O-N 2.82Å; A408-I410 HydrophobicContact CB-CG2 3.92Å; A408-I410 PolarHBondContact O-N 2.93Å; A408-T411 WeakPolarHBondContact O-CA 3.37Å; A408-T411 WeakPolarHBondContact O-CB 3.46Å; A408-T411 PolarHBondContact O-N 2.96Å; A408-K412 PolarHBondContact O-N 2.67Å
409	P	44.8	Very low	48.9	Very low	94 Å²	94	85.2 Å²	85.2	61%	0.61	45%	0.451	S	S	*	.	H	α-helix	trans	-53.5	-32.1	-178.8	-28.9	36	0	0	0	113	K412 V413	P409-K412 PolarHBondContact O-N 3.14Å; P409-V413 WeakPolarHBondContact O-CG2 3.31Å; P409-V413 PolarHBondContact O-N 2.84Å
410	I	49.2	Very low	50.7	Low	27 Å²	27	84.2 Å²	84.2	14%	0.138	44%	0.443	C	S	.	.	H	α-helix	trans	-65.4	-35.4	173.4	-168.2	59	0	0	0	113.5	A408 V413 I414 L439 L444 Y445	A408-I410 HydrophobicContact CB-CG2 3.92Å; A408-I410 PolarHBondContact O-N 2.93Å; I410-V413 PolarHBondContact O-N 2.87Å; I410-I414 HydrophobicContact CG1-CD1 4.06Å; I410-I414 WeakPolarHBondContact O-CB 3.44Å; I410-I414 VanDerWaalsContact O-CG1 3.28Å; I410-I414 WeakPolarHBondContact O-CG1 3.35Å; I410-I414 PolarHBondContact O-N 2.87Å; I410-L439 HydrophobicContact CD1-CB 4.25Å; I410-L439 HydrophobicContact CD1-CD1 4Å; I410-L439 HydrophobicContact CD1-CD2 3.99Å; I410-L439 HydrophobicContact CD1-CG 4.29Å; I410-L444 HydrophobicContact CD1-CD1 4.1Å; I410-L444 HydrophobicContact CG1-CD1 4.41Å; I410-Y445 HydrophobicContact CG2-CE1 4.42Å
411	T	49.2	Very low	52.6	Low	46 Å²	46	77.1 Å²	77.1	28%	0.282	42%	0.418	S	S	.	.	H	α-helix	trans	-65.9	-42.4	174.9	-48.4	0	0	0	0	111.1	E407 A408 I414 N415	E407-T411 HydrophobicContact CG-CG2 4.2Å; A408-T411 WeakPolarHBondContact O-CA 3.37Å; A408-T411 WeakPolarHBondContact O-CB 3.46Å; A408-T411 PolarHBondContact O-N 2.96Å; T411-I414 PolarHBondContact O-N 2.99Å; T411-N415 WeakPolarHBondContact O-CB 3.18Å; T411-N415 VanDerWaalsContact O-CG 3.28Å; T411-N415 PolarHBondContact O-N 2.96Å; T411-N415 PolarHBondContact O-ND2 2.8Å
412	K	52.2	Low	54.4	Low	101 Å²	101	80.1 Å²	80.1	44%	0.439	43%	0.43	S	S	.	.	H	α-helix	trans	-62	-42.8	171.9	-81.7	171.3	179.8	160.2	0	112	E407 A408 P409 N415 I416	E407-K412 HydrophobicContact CB-CD 4.25Å; E407-K412 HydrophobicContact CB-CG 3.94Å; E407-K412 HydrophobicContact CG-CG 4.39Å; E407-K412 WeakPolarHBondContact OE2-CE 3.25Å; E407-K412 WeakPolarHBondContact OE2-CG 3.31Å; E407-K412 IonicContact OE2-NZ 3.65Å; A408-K412 PolarHBondContact O-N 2.67Å; P409-K412 PolarHBondContact O-N 3.14Å; K412-N415 PolarHBondContact O-N 3.45Å; K412-I416 WeakPolarHBondContact O-CB 3.43Å; K412-I416 WeakPolarHBondContact O-CD1 3.36Å; K412-I416 VanDerWaalsContact O-CG1 3.22Å; K412-I416 WeakPolarHBondContact O-CG1 3.22Å; K412-I416 PolarHBondContact O-N 3.49Å
413	V	57.6	Low	56	Low	67 Å²	67	79.2 Å²	79.2	41%	0.406	44%	0.436	S	S	.	.	H	α-helix	trans	-63	-43.4	176.2	167.1	0	0	0	0	111.3	P409 I410 I416 I417 L439	P409-V413 WeakPolarHBondContact O-CG2 3.31Å; P409-V413 PolarHBondContact O-N 2.84Å; I410-V413 PolarHBondContact O-N 2.87Å; V413-I416 PolarHBondContact O-N 3.05Å; V413-I417 HydrophobicContact CG1-CD1 3.66Å; V413-I417 HydrophobicContact CG1-CG1 4.43Å; V413-I417 WeakPolarHBondContact O-CB 3.32Å; V413-I417 WeakPolarHBondContact O-CG1 3.39Å; V413-I417 PolarHBondContact O-N 3.28Å; V413-L439 HydrophobicContact CG1-CD1 4.39Å
414	I	64.7	Low	58.1	Low	27 Å²	27	77.3 Å²	77.3	14%	0.138	42%	0.423	C	S	.	.	H	α-helix	trans	-60.6	-47.4	173.8	-74.5	164.8	0	0	0	110.8	I410 T411 I416 I417 N418 L436	I410-I414 HydrophobicContact CG1-CD1 4.06Å; I410-I414 WeakPolarHBondContact O-CB 3.44Å; I410-I414 VanDerWaalsContact O-CG1 3.28Å; I410-I414 WeakPolarHBondContact O-CG1 3.35Å; I410-I414 PolarHBondContact O-N 2.87Å; T411-I414 PolarHBondContact O-N 2.99Å; I414-I416 VanDerWaalsContact C-N 3.34Å; I414-I416 PolarHBondContact O-N 2.71Å; I414-I417 PolarHBondContact O-N 2.91Å; I414-I417 VanDerWaalsContact O-N 3.15Å; I414-N418 PolarHBondContact O-N 3.25Å; I414-N418 PolarHBondContact O-ND2 3.24Å; I414-N418 PolarHBondContact O-OD1 2.91Å; I414-L436 HydrophobicContact CB-CD2 4.2Å; I414-L436 HydrophobicContact CG1-CD2 3.95Å; I414-L436 HydrophobicContact CG2-CD2 3.94Å
415	N	60.9	Low	60.4	Low	68 Å²	68	75.8 Å²	75.8	36%	0.364	42%	0.422	S	S	.	.	H	α-helix	trans	-62.8	-38.3	178.8	-73.3	-21.9	0	0	0	112.5	E407 T411 K412 Q419	E407-N415 PolarHBondContact OE1-ND2 3.09Å; T411-N415 WeakPolarHBondContact O-CB 3.18Å; T411-N415 VanDerWaalsContact O-CG 3.28Å; T411-N415 PolarHBondContact O-N 2.96Å; T411-N415 PolarHBondContact O-ND2 2.8Å; K412-N415 PolarHBondContact O-N 3.45Å; N415-Q419 WeakPolarHBondContact O-CG 3.5Å; N415-Q419 PolarHBondContact O-N 3.47Å; N415-Q419 VanDerWaalsContact O-N 3.1Å
416	I	69.6	Low	61.9	Low	110 Å²	110	76.5 Å²	76.5	56%	0.564	42%	0.419	S	S	*	.	H	α-helix	trans	-68.5	-38.8	173.6	-69.3	164.3	0	0	0	111.3	K412 V413 I414 Q419 A420	K412-I416 WeakPolarHBondContact O-CB 3.43Å; K412-I416 WeakPolarHBondContact O-CD1 3.36Å; K412-I416 VanDerWaalsContact O-CG1 3.22Å; K412-I416 WeakPolarHBondContact O-CG1 3.22Å; K412-I416 PolarHBondContact O-N 3.49Å; V413-I416 PolarHBondContact O-N 3.05Å; I414-I416 VanDerWaalsContact C-N 3.34Å; I414-I416 PolarHBondContact O-N 2.71Å; I416-Q419 PolarHBondContact O-N 3.38Å; I416-A420 WeakPolarHBondContact O-CB 3.48Å; I416-A420 PolarHBondContact O-N 3.09Å
417	I	75.1	Confident	63	Low	22 Å²	22	74.9 Å²	74.9	11%	0.113	42%	0.417	C	S	.	.	H	α-helix	trans	-65.3	-42.8	175.9	-73.9	166.5	0	0	0	110.8	V413 I414 A420 Q421 L432 V435 L436 L439	V413-I417 HydrophobicContact CG1-CD1 3.66Å; V413-I417 HydrophobicContact CG1-CG1 4.43Å; V413-I417 WeakPolarHBondContact O-CB 3.32Å; V413-I417 WeakPolarHBondContact O-CG1 3.39Å; V413-I417 PolarHBondContact O-N 3.28Å; I414-I417 PolarHBondContact O-N 2.91Å; I414-I417 VanDerWaalsContact O-N 3.15Å; I417-A420 CarbonylContact O-C 3.49Å; I417-A420 PolarHBondContact O-N 3.01Å; I417-Q421 WeakPolarHBondContact O-CB 3.42Å; I417-Q421 PolarHBondContact O-N 2.85Å; I417-L432 HydrophobicContact CG2-CB 4.02Å; I417-L432 HydrophobicContact CG2-CD2 4.1Å; I417-V435 HydrophobicContact CD1-CG1 3.99Å; I417-L436 HydrophobicContact CB-CD2 4.07Å; I417-L436 HydrophobicContact CG2-CD1 4.02Å; I417-L436 HydrophobicContact CG2-CD2 3.6Å; I417-L436 HydrophobicContact CG2-CG 3.66Å; I417-L439 HydrophobicContact CD1-CD1 3.92Å
418	N	70.3	Confident	64.2	Low	50 Å²	50	74.5 Å²	74.5	27%	0.267	42%	0.419	S	S	.	.	H	α-helix	trans	-60.5	-46.2	175.3	-62.5	-13.8	0	0	0	111.2	I414 A420 Q421 E422 L436	I414-N418 PolarHBondContact O-N 3.25Å; I414-N418 PolarHBondContact O-ND2 3.24Å; I414-N418 PolarHBondContact O-OD1 2.91Å; N418-A420 VanDerWaalsContact C-N 3.33Å; N418-A420 PolarHBondContact O-N 2.75Å; N418-Q421 WeakPolarHBondContact O-CB 3.19Å; N418-Q421 PolarHBondContact O-N 2.79Å; N418-Q421 VanDerWaalsContact O-N 3.11Å; N418-E422 PolarHBondContact O-N 2.79Å; N418-L436 VanDerWaalsContact OD1-CD1 3.26Å; N418-L436 WeakPolarHBondContact OD1-CD1 3.46Å
419	Q	72.2	Confident	65.4	Low	133 Å²	133	73.7 Å²	73.7	62%	0.621	41%	0.413	S	S	*	.	H	α-helix	trans	-64.6	-35	175.6	-73.7	-177.4	-7.1	0	0	112.9	N415 I416 Q421 S423	N415-Q419 WeakPolarHBondContact O-CG 3.5Å; N415-Q419 PolarHBondContact O-N 3.47Å; N415-Q419 VanDerWaalsContact O-N 3.1Å; I416-Q419 PolarHBondContact O-N 3.38Å; Q419-Q421 VanDerWaalsContact C-N 3.33Å; Q419-S423 PolarHBondContact O-OG 3.18Å
420	A	70.1	Confident	66.3	Low	37 Å²	37	74.2 Å²	74.2	31%	0.306	41%	0.407	S	S	.	.	H	α-helix	trans	-68.8	-31.9	172.6	0	0	0	0	0	112.1	I416 I417 N418 S423 S424 L432	I416-A420 WeakPolarHBondContact O-CB 3.48Å; I416-A420 PolarHBondContact O-N 3.09Å; I417-A420 CarbonylContact O-C 3.49Å; I417-A420 PolarHBondContact O-N 3.01Å; N418-A420 VanDerWaalsContact C-N 3.33Å; N418-A420 PolarHBondContact O-N 2.75Å; A420-S423 PolarHBondContact O-OG 2.84Å; A420-S424 WeakPolarHBondContact O-CB 3.46Å; A420-S424 PolarHBondContact O-N 3Å; A420-S424 PolarHBondContact O-OG 3.46Å; A420-L432 HydrophobicContact CB-CD1 4.2Å
421	Q	77.3	Confident	66.9	Low	41 Å²	41	75 Å²	75	19%	0.192	42%	0.417	C	S	.	.	H	α-helix	trans	-70.3	-49	177.9	-172.8	-178.2	14.4	0	0	111.6	I417 N418 Q419 S423 S424 A429 L432 D433	I417-Q421 WeakPolarHBondContact O-CB 3.42Å; I417-Q421 PolarHBondContact O-N 2.85Å; N418-Q421 WeakPolarHBondContact O-CB 3.19Å; N418-Q421 PolarHBondContact O-N 2.79Å; N418-Q421 VanDerWaalsContact O-N 3.11Å; Q419-Q421 VanDerWaalsContact C-N 3.33Å; Q421-S423 PolarHBondContact O-N 2.97Å; Q421-S423 VanDerWaalsContact O-N 3.09Å; Q421-S424 PolarHBondContact O-N 2.87Å; Q421-S424 VanDerWaalsContact O-N 3.11Å; Q421-A429 HydrophobicContact CG-CB 3.87Å; Q421-L432 HydrophobicContact CB-CB 4.39Å; Q421-L432 HydrophobicContact CB-CD1 3.94Å; Q421-L432 HydrophobicContact CG-CB 4.45Å; Q421-D433 PolarHBondContact NE2-OD1 3.45Å; Q421-D433 PolarHBondContact NE2-OD2 2.93Å
422	E	71.9	Confident	67.9	Low	175 Å²	175	74.2 Å²	74.2	82%	0.818	41%	0.412	S	S	*	.	H	α-helix	trans	-57.3	-24.4	176	-71.4	-177.2	159.2	0	0	113.6	N418	N418-E422 PolarHBondContact O-N 2.79Å
423	S	68.9	Low	68.7	Low	98 Å²	98	73.3 Å²	73.3	69%	0.685	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106	5.9	-178.3	55.1	0	0	0	0	114.6	Q419 A420 Q421	Q419-S423 PolarHBondContact O-OG 3.18Å; A420-S423 PolarHBondContact O-OG 2.84Å; Q421-S423 PolarHBondContact O-N 2.97Å; Q421-S423 VanDerWaalsContact O-N 3.09Å
424	S	74.4	Confident	68.8	Low	42 Å²	42	77 Å²	77	29%	0.294	42%	0.418	S	S	.	.	S	Bend	trans	-108.2	153.3	-174.2	-78.6	0	0	0	0	114.9	A420 Q421	A420-S424 WeakPolarHBondContact O-CB 3.46Å; A420-S424 PolarHBondContact O-N 3Å; A420-S424 PolarHBondContact O-OG 3.46Å; Q421-S424 PolarHBondContact O-N 2.87Å; Q421-S424 VanDerWaalsContact O-N 3.11Å
425	P	81.1	Confident	68.5	Low	92 Å²	92	78.6 Å²	78.6	60%	0.597	43%	0.429	S	S	*	.			trans	-62.7	149.6	169.3	-21	33.6	0	0	0	112.8	P427 V428 A429	P425-P427 VanDerWaalsContact C-CD 3.47Å; P425-P427 VanDerWaalsContact O-N 3.13Å; P425-V428 WeakPolarHBondContact O-CA 3.5Å; P425-V428 WeakPolarHBondContact O-CB 3.27Å; P425-V428 PolarHBondContact O-N 3.42Å; P425-A429 PolarHBondContact O-N 3.32Å; P425-A429 VanDerWaalsContact O-N 3.12Å
426	M	66.4	Low	68.7	Low	140 Å²	140	75.6 Å²	75.6	69%	0.69	41%	0.413	S	S	*	.	H	α-helix	trans	-45.9	-46.6	-172.6	-149.1	70.8	71.5	0	0	115.9	V428 A429 E430	M426-V428 PolarHBondContact O-N 3.26Å; M426-A429 WeakPolarHBondContact O-CB 3.32Å; M426-A429 PolarHBondContact O-N 2.88Å; M426-A429 VanDerWaalsContact O-N 3.11Å; M426-E430 WeakPolarHBondContact O-CG 2.92Å; M426-E430 PolarHBondContact O-N 3.04Å
427	P	62.8	Low	68.1	Low	96 Å²	96	76.3 Å²	76.3	62%	0.623	41%	0.414	S	S	*	.	H	α-helix	trans	-67.6	-18.8	-179.2	-19.6	33.8	0	0	0	114.1	P425	P425-P427 VanDerWaalsContact C-CD 3.47Å; P425-P427 VanDerWaalsContact O-N 3.13Å
428	V	62.5	Low	66.9	Low	68 Å²	68	79.9 Å²	79.9	41%	0.412	43%	0.432	S	S	.	.	H	α-helix	trans	-86.1	-39.3	173.2	179.5	0	0	0	0	109.8	P425 M426 E430 A431 L432	P425-V428 WeakPolarHBondContact O-CA 3.5Å; P425-V428 WeakPolarHBondContact O-CB 3.27Å; P425-V428 PolarHBondContact O-N 3.42Å; M426-V428 PolarHBondContact O-N 3.26Å; V428-E430 PolarHBondContact O-N 2.85Å; V428-A431 WeakPolarHBondContact O-CA 3.41Å; V428-A431 WeakPolarHBondContact O-CB 3.44Å; V428-A431 PolarHBondContact O-N 3.45Å; V428-L432 HydrophobicContact CG1-CD1 4.2Å; V428-L432 HydrophobicContact CG1-CG 4.44Å; V428-L432 WeakPolarHBondContact O-CG 3.29Å; V428-L432 PolarHBondContact O-N 3.49Å
429	A	71.8	Confident	66.2	Low	13 Å²	13	79.1 Å²	79.1	11%	0.107	43%	0.428	C	S	.	.	H	α-helix	trans	-58.3	-47.3	172.8	0	0	0	0	0	111.7	Q421 P425 M426 A431 L432 D433	Q421-A429 HydrophobicContact CG-CB 3.87Å; P425-A429 PolarHBondContact O-N 3.32Å; P425-A429 VanDerWaalsContact O-N 3.12Å; M426-A429 WeakPolarHBondContact O-CB 3.32Å; M426-A429 PolarHBondContact O-N 2.88Å; M426-A429 VanDerWaalsContact O-N 3.11Å; A429-A431 PolarHBondContact O-N 3.41Å; A429-A431 VanDerWaalsContact O-N 3.14Å; A429-L432 PolarHBondContact O-N 3.04Å; A429-D433 PolarHBondContact O-N 3.47Å
430	E	64.4	Low	65.3	Low	106 Å²	106	81.3 Å²	81.3	50%	0.495	43%	0.431	S	S	.	.	H	α-helix	trans	-62.2	-18.4	173.7	-69.2	174.6	-173.6	0	0	114.2	M426 V428 R434	M426-E430 WeakPolarHBondContact O-CG 2.92Å; M426-E430 PolarHBondContact O-N 3.04Å; V428-E430 PolarHBondContact O-N 2.85Å; E430-R434 PolarHBondContact O-NE 3.03Å; E430-R434 PolarHBondContact O-NH2 3.25Å
431	A	61.2	Low	64	Low	42 Å²	42	84.7 Å²	84.7	35%	0.347	45%	0.448	S	S	.	.	H	α-helix	trans	-86.1	-37.2	172.6	0	0	0	0	0	111.1	V428 A429 R434 V435	V428-A431 WeakPolarHBondContact O-CA 3.41Å; V428-A431 WeakPolarHBondContact O-CB 3.44Å; V428-A431 PolarHBondContact O-N 3.45Å; A429-A431 PolarHBondContact O-N 3.41Å; A429-A431 VanDerWaalsContact O-N 3.14Å; A431-R434 PolarHBondContact O-N 3.47Å; A431-V435 WeakPolarHBondContact O-CG2 3.47Å; A431-V435 PolarHBondContact O-N 3Å; A431-V435 VanDerWaalsContact O-N 3.15Å
432	L	70.8	Confident	62.3	Low	31 Å²	31	85.9 Å²	85.9	16%	0.162	46%	0.458	C	S	.	.	H	α-helix	trans	-69.4	-38.4	176.3	-65.2	172.4	0	0	0	111.9	I417 A420 Q421 V428 A429 R434 V435 L436	I417-L432 HydrophobicContact CG2-CB 4.02Å; I417-L432 HydrophobicContact CG2-CD2 4.1Å; A420-L432 HydrophobicContact CB-CD1 4.2Å; Q421-L432 HydrophobicContact CB-CB 4.39Å; Q421-L432 HydrophobicContact CB-CD1 3.94Å; Q421-L432 HydrophobicContact CG-CB 4.45Å; V428-L432 HydrophobicContact CG1-CD1 4.2Å; V428-L432 HydrophobicContact CG1-CG 4.44Å; V428-L432 WeakPolarHBondContact O-CG 3.29Å; V428-L432 PolarHBondContact O-N 3.49Å; A429-L432 PolarHBondContact O-N 3.04Å; L432-R434 PolarHBondContact O-N 3.15Å; L432-V435 CarbonylContact O-C 3.57Å; L432-V435 WeakPolarHBondContact O-CA 3.35Å; L432-V435 WeakPolarHBondContact O-CB 3.32Å; L432-V435 PolarHBondContact O-N 3.1Å; L432-V435 VanDerWaalsContact O-N 3.09Å; L432-L436 WeakPolarHBondContact O-CG 3.37Å; L432-L436 PolarHBondContact O-N 2.82Å
433	D	69.5	Low	61	Low	81 Å²	81	85 Å²	85	43%	0.433	45%	0.453	S	S	.	.	H	α-helix	trans	-55.1	-48.9	171.7	-82.4	-49.6	0	0	0	112.1	Q421 A429 V435 L436 E437	Q421-D433 PolarHBondContact NE2-OD1 3.45Å; Q421-D433 PolarHBondContact NE2-OD2 2.93Å; A429-D433 PolarHBondContact O-N 3.47Å; D433-V435 VanDerWaalsContact C-N 3.27Å; D433-V435 PolarHBondContact O-N 2.65Å; D433-L436 WeakPolarHBondContact O-CB 3.49Å; D433-L436 PolarHBondContact O-N 3.36Å; D433-L436 VanDerWaalsContact O-N 3.1Å; D433-E437 WeakPolarHBondContact O-CB 3.35Å; D433-E437 PolarHBondContact O-N 3.35Å
434	R	58.2	Low	59.5	Low	144 Å²	144	84 Å²	84	54%	0.543	44%	0.44	S	S	.	.	H	α-helix	trans	-65.4	-29.6	177.5	-77.9	176.7	-73.6	-179	-7.3	112.6	E430 A431 L432 I438	E430-R434 PolarHBondContact O-NE 3.03Å; E430-R434 PolarHBondContact O-NH2 3.25Å; A431-R434 PolarHBondContact O-N 3.47Å; L432-R434 PolarHBondContact O-N 3.15Å; R434-I438 WeakPolarHBondContact O-CB 3.33Å; R434-I438 WeakPolarHBondContact O-CD1 3.22Å; R434-I438 WeakPolarHBondContact O-CG1 3.19Å; R434-I438 PolarHBondContact O-N 3.45Å; R434-I438 VanDerWaalsContact O-N 3.09Å
435	V	59.7	Low	57.7	Low	62 Å²	62	85.4 Å²	85.4	38%	0.376	44%	0.439	S	S	.	.	H	α-helix	trans	-68.2	-46.1	169.9	171.2	0	0	0	0	110.5	I417 A431 L432 D433 E437 I438 L439	I417-V435 HydrophobicContact CD1-CG1 3.99Å; A431-V435 WeakPolarHBondContact O-CG2 3.47Å; A431-V435 PolarHBondContact O-N 3Å; A431-V435 VanDerWaalsContact O-N 3.15Å; L432-V435 CarbonylContact O-C 3.57Å; L432-V435 WeakPolarHBondContact O-CA 3.35Å; L432-V435 WeakPolarHBondContact O-CB 3.32Å; L432-V435 PolarHBondContact O-N 3.1Å; L432-V435 VanDerWaalsContact O-N 3.09Å; D433-V435 VanDerWaalsContact C-N 3.27Å; D433-V435 PolarHBondContact O-N 2.65Å; V435-E437 VanDerWaalsContact C-N 3.31Å; V435-E437 PolarHBondContact O-N 2.81Å; V435-I438 PolarHBondContact O-N 2.93Å; V435-L439 HydrophobicContact CG1-CD1 3.76Å; V435-L439 HydrophobicContact CG1-CG 4.17Å; V435-L439 WeakPolarHBondContact O-CB 3.34Å; V435-L439 VanDerWaalsContact O-CG 3.23Å; V435-L439 WeakPolarHBondContact O-CG 3.27Å; V435-L439 PolarHBondContact O-N 2.96Å
436	L	65.6	Low	55.4	Low	5 Å²	5	86 Å²	86	3%	0.026	45%	0.446	C	S	.	.	H	α-helix	trans	-60.6	-39	176.6	-68.1	170.4	0	0	0	112.4	I414 I417 N418 L432 D433 L439 R440	I414-L436 HydrophobicContact CB-CD2 4.2Å; I414-L436 HydrophobicContact CG1-CD2 3.95Å; I414-L436 HydrophobicContact CG2-CD2 3.94Å; I417-L436 HydrophobicContact CB-CD2 4.07Å; I417-L436 HydrophobicContact CG2-CD1 4.02Å; I417-L436 HydrophobicContact CG2-CD2 3.6Å; I417-L436 HydrophobicContact CG2-CG 3.66Å; N418-L436 VanDerWaalsContact OD1-CD1 3.26Å; N418-L436 WeakPolarHBondContact OD1-CD1 3.46Å; L432-L436 WeakPolarHBondContact O-CG 3.37Å; L432-L436 PolarHBondContact O-N 2.82Å; D433-L436 WeakPolarHBondContact O-CB 3.49Å; D433-L436 PolarHBondContact O-N 3.36Å; D433-L436 VanDerWaalsContact O-N 3.1Å; L436-L439 PolarHBondContact O-N 3.17Å; L436-R440 WeakPolarHBondContact O-CB 3.32Å; L436-R440 VanDerWaalsContact O-CG 3.3Å; L436-R440 WeakPolarHBondContact O-CG 3.34Å; L436-R440 PolarHBondContact O-N 2.96Å
437	E	55.6	Low	53.7	Low	124 Å²	124	83.3 Å²	83.3	58%	0.579	44%	0.439	S	S	*	.	H	α-helix	trans	-65.2	-44.4	175.9	-169.9	174.8	-155	0	0	111.8	D433 V435 R440 T441	D433-E437 WeakPolarHBondContact O-CB 3.35Å; D433-E437 PolarHBondContact O-N 3.35Å; V435-E437 VanDerWaalsContact C-N 3.31Å; V435-E437 PolarHBondContact O-N 2.81Å; E437-R440 PolarHBondContact O-N 3.34Å; E437-T441 WeakPolarHBondContact O-CB 3.37Å; E437-T441 WeakPolarHBondContact O-CG2 3.27Å; E437-T441 PolarHBondContact O-N 2.51Å; E437-T441 VanDerWaalsContact O-N 3.08Å; E437-T441 PolarHBondContact O-OG1 2.74Å
438	I	49.6	Very low	52	Low	98 Å²	98	87.1 Å²	87.1	50%	0.503	45%	0.448	S	S	.	.	H	α-helix	trans	-63.1	-42.2	173.3	-69.8	165.2	0	0	0	111.3	R434 V435 R440 T441 T442	R434-I438 WeakPolarHBondContact O-CB 3.33Å; R434-I438 WeakPolarHBondContact O-CD1 3.22Å; R434-I438 WeakPolarHBondContact O-CG1 3.19Å; R434-I438 PolarHBondContact O-N 3.45Å; R434-I438 VanDerWaalsContact O-N 3.09Å; V435-I438 PolarHBondContact O-N 2.93Å; I438-R440 VanDerWaalsContact C-N 3.28Å; I438-R440 PolarHBondContact O-N 2.94Å; I438-T441 WeakPolarHBondContact CA-OG1 3.32Å; I438-T441 PolarHBondContact O-N 2.7Å; I438-T441 PolarHBondContact O-OG1 3.14Å; I438-T442 HydrophobicContact CG2-CG2 4.21Å; I438-T442 WeakPolarHBondContact O-CB 3.38Å; I438-T442 PolarHBondContact O-N 3.25Å; I438-T442 PolarHBondContact O-OG1 3.02Å
439	L	55.6	Low	50.4	Low	33 Å²	33	90.7 Å²	90.7	17%	0.173	46%	0.464	C	S	.	.	H	α-helix	trans	-71.6	-19.2	178.5	-66.5	178.1	0	0	0	113.4	I410 V413 I417 V435 L436 L444	I410-L439 HydrophobicContact CD1-CB 4.25Å; I410-L439 HydrophobicContact CD1-CD1 4Å; I410-L439 HydrophobicContact CD1-CD2 3.99Å; I410-L439 HydrophobicContact CD1-CG 4.29Å; V413-L439 HydrophobicContact CG1-CD1 4.39Å; I417-L439 HydrophobicContact CD1-CD1 3.92Å; V435-L439 HydrophobicContact CG1-CD1 3.76Å; V435-L439 HydrophobicContact CG1-CG 4.17Å; V435-L439 WeakPolarHBondContact O-CB 3.34Å; V435-L439 VanDerWaalsContact O-CG 3.23Å; V435-L439 WeakPolarHBondContact O-CG 3.27Å; V435-L439 PolarHBondContact O-N 2.96Å; L436-L439 PolarHBondContact O-N 3.17Å; L439-L444 HydrophobicContact CB-CD1 4.26Å; L439-L444 HydrophobicContact CD2-CD1 3.62Å
440	R	54.4	Low	48.3	Very low	180 Å²	180	93.5 Å²	93.5	68%	0.679	50%	0.495	S	S	*	.	H	α-helix	trans	-84.9	-25.7	170.9	-79	171.5	169.8	147.5	-2.6	113.4	L436 E437 I438	L436-R440 WeakPolarHBondContact O-CB 3.32Å; L436-R440 VanDerWaalsContact O-CG 3.3Å; L436-R440 WeakPolarHBondContact O-CG 3.34Å; L436-R440 PolarHBondContact O-N 2.96Å; E437-R440 PolarHBondContact O-N 3.34Å; I438-R440 VanDerWaalsContact C-N 3.28Å; I438-R440 PolarHBondContact O-N 2.94Å
441	T	42.8	Very low	46.8	Very low	108 Å²	108	94.5 Å²	94.5	66%	0.663	51%	0.508	S	S	*	.	H	α-helix	trans	-103.9	-11.9	-172.5	51.3	0	0	0	0	114.7	E437 I438	E437-T441 WeakPolarHBondContact O-CB 3.37Å; E437-T441 WeakPolarHBondContact O-CG2 3.27Å; E437-T441 PolarHBondContact O-N 2.51Å; E437-T441 VanDerWaalsContact O-N 3.08Å; E437-T441 PolarHBondContact O-OG1 2.74Å; I438-T441 WeakPolarHBondContact CA-OG1 3.32Å; I438-T441 PolarHBondContact O-N 2.7Å; I438-T441 PolarHBondContact O-OG1 3.14Å
442	T	40.1	Very low	45.4	Very low	66 Å²	66	101.5 Å²	101.5	41%	0.405	53%	0.531	S	S	.	.	S	Bend	trans	-100.1	150.7	178.6	52.1	0	0	0	0	113.2	I438 L444	I438-T442 HydrophobicContact CG2-CG2 4.21Å; I438-T442 WeakPolarHBondContact O-CB 3.38Å; I438-T442 PolarHBondContact O-N 3.25Å; I438-T442 PolarHBondContact O-OG1 3.02Å; T442-L444 VanDerWaalsContact C-N 3.33Å; T442-L444 PolarHBondContact O-N 3.2Å
443	E	44.9	Very low	43.9	Very low	156 Å²	156	108 Å²	108	73%	0.729	57%	0.566	S	S	*	*			trans	-74.4	77.5	-172.6	-72.1	157.7	-175.8	0	0	112.4
444	L	38.3	Very low	42.5	Very low	77 Å²	77	110.1 Å²	110.1	40%	0.403	57%	0.573	S	S	.	*			trans	-97	7	-176.1	-71	164.4	0	0	0	114.4	I410 L439 T442	I410-L444 HydrophobicContact CD1-CD1 4.1Å; I410-L444 HydrophobicContact CG1-CD1 4.41Å; L439-L444 HydrophobicContact CB-CD1 4.26Å; L439-L444 HydrophobicContact CD2-CD1 3.62Å; T442-L444 VanDerWaalsContact C-N 3.33Å; T442-L444 PolarHBondContact O-N 3.2Å
445	Y	36.7	Very low	42.6	Very low	72 Å²	72	105.3 Å²	105.3	28%	0.282	56%	0.558	S	S	.	*			trans	-105.3	57.3	-173.7	-63.5	-79.3	0	0	0	113.3	I410 N695	I410-Y445 HydrophobicContact CG2-CE1 4.42Å; Y445-N695 HydrophobicContact CD1-CB 4.12Å; Y445-N695 HydrophobicContact CG-CB 4.14Å
446	S	32.1	Very low	42.5	Very low	105 Å²	105	106 Å²	106	73%	0.734	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-93.7	117.7	157.9	-177.3	0	0	0	0	108.3	Q448	S446-Q448 PolarHBondContact O-N 3.36Å
447	P	31.1	Very low	42.3	Very low	83 Å²	83	107.1 Å²	107.1	54%	0.539	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-67.6	129.3	-179.4	26.6	-32.8	0	0	0	110.6	F691	P447-F691 HydrophobicContact CG-CD2 4.22Å
448	Q	26.9	Very low	42.7	Very low	176 Å²	176	102.8 Å²	102.8	82%	0.822	55%	0.551	S	S	*	*	P	Polyproline II helix	trans	-80.2	122.9	171.4	-68.1	177.7	-11	0	0	108.8	S446 G450	S446-Q448 PolarHBondContact O-N 3.36Å; Q448-G450 PolarHBondContact O-N 3.48Å
449	L	28.8	Very low	43.2	Very low	142 Å²	142	100.9 Å²	100.9	74%	0.743	55%	0.547	S	S	*	.			trans	-52.5	107.7	-176.6	-77.9	142.8	0	0	0	112
450	G	29.1	Very low	43.7	Very low	73 Å²	73	100.9 Å²	100.9	75%	0.753	55%	0.547	S	S	*	.			trans	-88	102.7	171.8	0	0	0	0	0	110.1	Q448 K452	Q448-G450 PolarHBondContact O-N 3.48Å; G450-K452 PolarHBondContact O-N 3.07Å; G450-K452 VanDerWaalsContact O-N 3.09Å
451	T	32.3	Very low	44	Very low	127 Å²	127	92.6 Å²	92.6	78%	0.779	52%	0.516	S	S	*	.			trans	-60.6	111.6	-175.2	52.8	0	0	0	0	112.9
452	K	31.2	Very low	44.9	Very low	188 Å²	188	89 Å²	89	82%	0.817	49%	0.494	S	S	*	.	S	Bend	trans	-132.5	117.1	153.9	-79.6	-176.7	175.2	177.3	0	107.2	G450 E454	G450-K452 PolarHBondContact O-N 3.07Å; G450-K452 VanDerWaalsContact O-N 3.09Å; K452-E454 PolarHBondContact O-N 2.91Å
453	D	39.8	Very low	45.5	Very low	168 Å²	168	86.9 Å²	86.9	90%	0.898	49%	0.485	S	S	*	.			trans	23.6	78.8	168.3	-54.8	-29.8	0	0	0	114.8	D455	D453-D455 PolarHBondContact O-N 3.45Å; D453-D455 VanDerWaalsContact O-N 3.09Å
454	E	40.9	Very low	46	Very low	125 Å²	125	79.5 Å²	79.5	58%	0.584	45%	0.451	S	S	*	.			trans	-61.5	115.4	-175.5	-73.3	-166.9	-175.6	0	0	111.9	K452	K452-E454 PolarHBondContact O-N 2.91Å
455	D	58.4	Low	46.9	Very low	44 Å²	44	77.3 Å²	77.3	24%	0.235	44%	0.439	C	S	.	.			trans	-81.3	123	169.1	-165.3	-20.4	0	0	0	109.6	D453 H457 T458 S459 K792	D453-D455 PolarHBondContact O-N 3.45Å; D453-D455 VanDerWaalsContact O-N 3.09Å; D455-H457 PolarHBondContact O-N 3.07Å; D455-H457 IonicContact OD1-CE1 3.89Å; D455-H457 IonicContact OD1-CG 3.59Å; D455-H457 PolarHBondContact OD1-N 3.24Å; D455-H457 IonicContact OD1-ND1 2.82Å; D455-H457 PolarHBondContact OD1-ND1 2.98Å; D455-T458 PolarHBondContact O-N 3.09Å; D455-S459 PolarHBondContact O-N 3.31Å; D455-S459 VanDerWaalsContact O-N 3.13Å; D455-K792 VanDerWaalsContact CG-CE 3.48Å; D455-K792 WeakPolarHBondContact OD1-CE 3.22Å; D455-K792 IonicContact OD1-NZ 3.36Å; D455-K792 PolarHBondContact OD1-NZ 3.13Å; D455-K792 WeakPolarHBondContact OD2-CE 3.46Å; D455-K792 IonicContact OD2-NZ 2.78Å; D455-K792 PolarHBondContact OD2-NZ 3.49Å
456	P	59	Low	47.7	Very low	77 Å²	77	76 Å²	76	50%	0.5	44%	0.436	S	S	.	.	H	α-helix	trans	-52.9	-29.6	176.9	-29.3	36.3	0	0	0	113.8	T458 S459 D460 V782	P456-T458 VanDerWaalsContact C-N 3.32Å; P456-T458 PolarHBondContact O-N 3.05Å; P456-S459 PolarHBondContact O-N 2.83Å; P456-D460 WeakPolarHBondContact O-CB 3.37Å; P456-D460 PolarHBondContact O-N 2.77Å; P456-V782 HydrophobicContact CB-CG2 4.18Å
457	H	61.9	Low	48.5	Very low	28 Å²	28	74.2 Å²	74.2	13%	0.13	42%	0.421	C	S	.	.	H	α-helix	trans	-64.9	-37.5	179.2	-60	67.9	0	0	0	112	D455 L461 V782 K792	D455-H457 PolarHBondContact O-N 3.07Å; D455-H457 IonicContact OD1-CE1 3.89Å; D455-H457 IonicContact OD1-CG 3.59Å; D455-H457 PolarHBondContact OD1-N 3.24Å; D455-H457 IonicContact OD1-ND1 2.82Å; D455-H457 PolarHBondContact OD1-ND1 2.98Å; H457-L461 WeakPolarHBondContact O-CB 3.38Å; H457-L461 PolarHBondContact O-N 3.32Å; H457-V782 HydrophobicContact CB-CG1 4.3Å; H457-V782 VanDerWaalsContact CD2-CG1 3.49Å; H457-V782 WeakPolarHBondContact CD2-CG1 3.32Å; H457-K792 PolarHBondContact ND1-NZ 3.44Å
458	T	62.8	Low	48.8	Very low	33 Å²	33	74.6 Å²	74.6	20%	0.202	42%	0.419	C	S	.	.	H	α-helix	trans	-75.6	-43.8	175.8	-48.6	0	0	0	0	110.4	D455 P456 D460 L461 V462 S796 Y800	D455-T458 PolarHBondContact O-N 3.09Å; P456-T458 VanDerWaalsContact C-N 3.32Å; P456-T458 PolarHBondContact O-N 3.05Å; T458-D460 PolarHBondContact O-N 3.42Å; T458-L461 PolarHBondContact O-N 2.88Å; T458-V462 HydrophobicContact CG2-CG2 4.48Å; T458-V462 WeakPolarHBondContact O-CB 3.4Å; T458-V462 VanDerWaalsContact O-CG2 3.23Å; T458-V462 WeakPolarHBondContact O-CG2 3.48Å; T458-V462 PolarHBondContact O-N 3.47Å; T458-S796 VanDerWaalsContact OG1-CB 3.29Å; T458-S796 WeakPolarHBondContact OG1-CB 3.4Å; T458-S796 PolarHBondContact OG1-OG 3.44Å; T458-Y800 HydrophobicContact CG2-CD2 3.49Å; T458-Y800 VanDerWaalsContact CG2-CD2 3.49Å; T458-Y800 HydrophobicContact CG2-CE2 4.1Å; T458-Y800 HydrophobicContact CG2-CG 3.87Å
459	S	59.5	Low	49.2	Very low	58 Å²	58	66.9 Å²	66.9	41%	0.406	39%	0.386	S	S	.	.	H	α-helix	trans	-62.6	-41.7	-179	-167.8	0	0	0	0	112.7	D455 P456 G463	D455-S459 PolarHBondContact O-N 3.31Å; D455-S459 VanDerWaalsContact O-N 3.13Å; P456-S459 PolarHBondContact O-N 2.83Å; S459-G463 PolarHBondContact O-N 3.25Å
460	D	66.4	Low	49.3	Very low	33 Å²	33	64.9 Å²	64.9	18%	0.176	38%	0.376	C	S	.	.	H	α-helix	trans	-76	-33.9	179.9	-76.4	10.9	0	0	0	112.7	P456 T458 G463 G464 P781 V782	P456-D460 WeakPolarHBondContact O-CB 3.37Å; P456-D460 PolarHBondContact O-N 2.77Å; T458-D460 PolarHBondContact O-N 3.42Å; D460-G463 PolarHBondContact O-N 3.11Å; D460-G464 PolarHBondContact O-N 3.42Å; D460-P781 VanDerWaalsContact OD2-CB 3.25Å; D460-P781 WeakPolarHBondContact OD2-CB 3.3Å; D460-P781 VanDerWaalsContact OD2-CD 3.25Å; D460-P781 WeakPolarHBondContact OD2-CD 3.36Å; D460-V782 HydrophobicContact CB-CB 3.99Å; D460-V782 HydrophobicContact CB-CG2 4.19Å; D460-V782 WeakPolarHBondContact OD2-CB 3.32Å; D460-V782 VanDerWaalsContact OD2-CG2 3.3Å; D460-V782 WeakPolarHBondContact OD2-CG2 3.24Å; D460-V782 PolarHBondContact OD2-N 2.81Å
461	L	62.1	Low	49.3	Very low	6 Å²	6	70.9 Å²	70.9	3%	0.031	38%	0.376	C	S	.	.	H	α-helix	trans	-66.5	-41.9	173.7	-177	55.9	0	0	0	111.2	H457 T458 L465 M780 F783 F797 F801	H457-L461 WeakPolarHBondContact O-CB 3.38Å; H457-L461 PolarHBondContact O-N 3.32Å; T458-L461 PolarHBondContact O-N 2.88Å; L461-L465 HydrophobicContact CD1-CD1 3.62Å; L461-L465 HydrophobicContact CD1-CG 4.12Å; L461-L465 HydrophobicContact CG-CD1 4.07Å; L461-L465 WeakPolarHBondContact O-CB 3.49Å; L461-L465 WeakPolarHBondContact O-CG 3.25Å; L461-L465 PolarHBondContact O-N 3.07Å; L461-L465 VanDerWaalsContact O-N 3.11Å; L461-M780 HydrophobicContact CD1-CE 4.05Å; L461-F783 HydrophobicContact CB-CE2 4.02Å; L461-F783 HydrophobicContact CB-CZ 4.43Å; L461-F783 HydrophobicContact CD1-CE2 3.92Å; L461-F783 HydrophobicContact CD1-CZ 3.85Å; L461-F783 HydrophobicContact CG-CE2 4.47Å; L461-F783 HydrophobicContact CG-CZ 4.49Å; L461-F797 HydrophobicContact CD2-CB 3.76Å; L461-F797 HydrophobicContact CD2-CD2 3.88Å; L461-F797 HydrophobicContact CD2-CG 4.26Å; L461-F801 HydrophobicContact CG-CE2 4.38Å
462	V	59.8	Low	49.1	Very low	32 Å²	32	77 Å²	77	19%	0.194	38%	0.384	C	S	.	.	H	α-helix	trans	-64.1	-40.9	170.8	169	0	0	0	0	110.9	T458 M466 Y800 F801	T458-V462 HydrophobicContact CG2-CG2 4.48Å; T458-V462 WeakPolarHBondContact O-CB 3.4Å; T458-V462 VanDerWaalsContact O-CG2 3.23Å; T458-V462 WeakPolarHBondContact O-CG2 3.48Å; T458-V462 PolarHBondContact O-N 3.47Å; V462-M466 HydrophobicContact CG1-CB 4.4Å; V462-M466 HydrophobicContact CG1-CG 4.27Å; V462-M466 HydrophobicContact CG1-SD 3.92Å; V462-M466 WeakPolarHBondContact O-CA 3.27Å; V462-M466 WeakPolarHBondContact O-CB 3.43Å; V462-M466 WeakPolarHBondContact O-CG 3.04Å; V462-M466 PolarHBondContact O-N 3.46Å; V462-Y800 HydrophobicContact CG2-CD1 3.75Å; V462-Y800 HydrophobicContact CG2-CE1 3.26Å; V462-Y800 HydrophobicContact CG2-CE2 4.16Å; V462-Y800 HydrophobicContact CG2-CG 4.37Å; V462-F801 HydrophobicContact CG2-CE2 4.38Å; V462-F801 HydrophobicContact CG2-CZ 4.1Å
463	G	53.1	Low	48.8	Very low	21 Å²	21	76.1 Å²	76.1	22%	0.216	39%	0.385	C	S	.	.	H	α-helix	trans	-55.7	-55.4	174.1	0	0	0	0	0	112.5	S459 D460 L465 T467	S459-G463 PolarHBondContact O-N 3.25Å; D460-G463 PolarHBondContact O-N 3.11Å; G463-L465 PolarHBondContact O-N 2.95Å; G463-T467 VanDerWaalsContact O-CB 3.29Å; G463-T467 WeakPolarHBondContact O-CB 3.2Å; G463-T467 WeakPolarHBondContact O-CG2 3.49Å; G463-T467 PolarHBondContact O-N 3.48Å; G463-T467 VanDerWaalsContact O-N 3.16Å; G463-T467 PolarHBondContact O-OG1 3.32Å
464	G	56.3	Low	48.1	Very low	2 Å²	2	73.7 Å²	73.7	2%	0.021	38%	0.381	C	S	.	.	H	α-helix	trans	-69.2	-26.3	-177.4	0	0	0	0	0	115.8	D460 V779	D460-G464 PolarHBondContact O-N 3.42Å; G464-V779 PolarHBondContact N-O 2.92Å
465	L	56.3	Low	47.3	Very low	30 Å²	30	70.6 Å²	70.6	16%	0.157	38%	0.383	C	S	.	.	H	α-helix	trans	-98	-18.5	-179.5	-66.7	178.8	0	0	0	114.5	L461 G463 M687 F801	L461-L465 HydrophobicContact CD1-CD1 3.62Å; L461-L465 HydrophobicContact CD1-CG 4.12Å; L461-L465 HydrophobicContact CG-CD1 4.07Å; L461-L465 WeakPolarHBondContact O-CB 3.49Å; L461-L465 WeakPolarHBondContact O-CG 3.25Å; L461-L465 PolarHBondContact O-N 3.07Å; L461-L465 VanDerWaalsContact O-N 3.11Å; G463-L465 PolarHBondContact O-N 2.95Å; L465-M687 HydrophobicContact CB-CB 4.24Å; L465-M687 HydrophobicContact CD1-CE 4.47Å; L465-F801 HydrophobicContact CD1-CE2 4.24Å; L465-F801 HydrophobicContact CD1-CZ 4.35Å
466	M	53.8	Low	45.6	Very low	44 Å²	44	76.5 Å²	76.5	22%	0.217	41%	0.414	C	S	.	.	H	α-helix	trans	-128	4.6	-170.1	-43.7	-168.1	96	0	0	114.6	V462 D468 M687 H690 F691 Y800 F801	V462-M466 HydrophobicContact CG1-CB 4.4Å; V462-M466 HydrophobicContact CG1-CG 4.27Å; V462-M466 HydrophobicContact CG1-SD 3.92Å; V462-M466 WeakPolarHBondContact O-CA 3.27Å; V462-M466 WeakPolarHBondContact O-CB 3.43Å; V462-M466 WeakPolarHBondContact O-CG 3.04Å; V462-M466 PolarHBondContact O-N 3.46Å; M466-D468 PolarHBondContact O-N 3.29Å; M466-M687 WeakPolarHBondContact CE-O 3.2Å; M466-H690 HydrophobicContact CE-CB 4.36Å; M466-F691 HydrophobicContact CE-CD2 3.83Å; M466-F691 HydrophobicContact CE-CE2 3.84Å; M466-F691 HydrophobicContact SD-CE2 4.16Å; M466-Y800 HydrophobicContact SD-CE1 4.48Å; M466-F801 HydrophobicContact CE-CE1 3.99Å; M466-F801 HydrophobicContact CG-CZ 4.42Å; M466-F801 HydrophobicContact SD-CE1 3.82Å; M466-F801 HydrophobicContact SD-CZ 3.93Å
467	T	48.6	Very low	44	Very low	68 Å²	68	79.7 Å²	79.7	42%	0.417	42%	0.423	S	S	.	.			trans	-82.3	109.2	172.5	48.1	0	0	0	0	112.6	G463 G469 S623	G463-T467 VanDerWaalsContact O-CB 3.29Å; G463-T467 WeakPolarHBondContact O-CB 3.2Å; G463-T467 WeakPolarHBondContact O-CG2 3.49Å; G463-T467 PolarHBondContact O-N 3.48Å; G463-T467 VanDerWaalsContact O-N 3.16Å; G463-T467 PolarHBondContact O-OG1 3.32Å; T467-G469 PolarHBondContact O-N 3.07Å; T467-S623 PolarHBondContact O-OG 3.42Å; T467-S623 PolarHBondContact OG1-OG 2.7Å
468	D	38.2	Very low	42.2	Very low	92 Å²	92	87.5 Å²	87.5	49%	0.492	45%	0.452	S	S	.	.			trans	-40.2	127	152.1	-113.7	-9.6	0	0	0	108.8	K332 M466 L470	K332-D468 IonicContact NZ-OD2 3.23Å; M466-D468 PolarHBondContact O-N 3.29Å; D468-L470 HydrophobicContact CB-CD1 4.45Å; D468-L470 HydrophobicContact CB-CG 4.48Å; D468-L470 PolarHBondContact O-N 3.27Å
469	G	35.3	Very low	40.3	Very low	13 Å²	13	92.9 Å²	92.9	13%	0.134	48%	0.478	C	S	.	.	S	Bend	trans	-67.9	20.7	-172.3	0	0	0	0	0	116.5	T467 R471	T467-G469 PolarHBondContact O-N 3.07Å; G469-R471 VanDerWaalsContact C-N 3.33Å; G469-R471 PolarHBondContact O-N 3.26Å
470	L	30	Very low	38.6	Very low	101 Å²	101	97.3 Å²	97.3	53%	0.529	50%	0.497	S	S	.	.			trans	-82.3	64.4	-168.7	-66.4	175.1	0	0	0	113.4	D468	D468-L470 HydrophobicContact CB-CD1 4.45Å; D468-L470 HydrophobicContact CB-CG 4.48Å; D468-L470 PolarHBondContact O-N 3.27Å
471	R	29.3	Very low	36.4	Very low	199 Å²	199	100.3 Å²	100.3	75%	0.751	53%	0.526	S	S	*	.			trans	-125.9	92	161.7	-83.8	-167	169.2	-163.7	-1.3	111.9	G469 M473	G469-R471 VanDerWaalsContact C-N 3.33Å; G469-R471 PolarHBondContact O-N 3.26Å; R471-M473 PolarHBondContact O-N 3.4Å; R471-M473 VanDerWaalsContact O-N 3.14Å
472	R	27.4	Very low	34.7	Very low	255 Å²	255	106.1 Å²	106.1	96%	0.962	56%	0.562	S	S	*	*			trans	-69.7	105.8	167.7	-77.1	-174.7	172.4	-173.4	-2.9	110.9
473	M	25.6	Very low	32.9	Very low	170 Å²	170	114.2 Å²	114.2	84%	0.837	60%	0.595	S	S	*	*			trans	-95.9	143.7	157.5	-74	-102.7	56.9	0	0	109.4	R471	R471-M473 PolarHBondContact O-N 3.4Å; R471-M473 VanDerWaalsContact O-N 3.14Å
474	S	25	Very low	31.6	Very low	117 Å²	117	121 Å²	121	82%	0.818	62%	0.621	S	S	*	*			trans	-118.4	113.7	-170.8	175.1	0	0	0	0	111.8
475	G	23.3	Very low	30.2	Very low	60 Å²	60	126.8 Å²	126.8	62%	0.619	66%	0.658	S	S	*	*			trans	81.5	110.1	158.9	0	0	0	0	0	117
476	N	23.1	Very low	28.6	Very low	167 Å²	167	133.7 Å²	133.7	89%	0.893	69%	0.689	S	S	*	*				-170.4	175.9	96.4	-93.9	-13.3	0	0	0	112.4
477	E	25.1	Very low	27.3	Very low	144 Å²	144	140.9 Å²	140.9	67%	0.673	72%	0.722	S	S	*	*			trans	-67.5	155.2	-175.3	-53	169.9	112.4	0	0	113.4
478	Y	24.1	Very low	26.1	Very low	192 Å²	192	145.2 Å²	145.2	75%	0.753	74%	0.742	S	S	*	*				176	142.3	100.7	-92	-62.2	0	0	0	115.4
479	I	23.6	Very low	25.5	Very low	146 Å²	146	145.9 Å²	145.9	75%	0.749	75%	0.751	S	S	*	*			trans	63.1	116.4	148.6	-63.4	163.3	0	0	0	119.1
480	L	23.4	Very low	25.2	Very low	152 Å²	152	150.5 Å²	150.5	80%	0.796	78%	0.781	S	S	*	*			trans	-70.5	139	161.5	-71.5	80.9	0	0	0	111.4	T482	L480-T482 HydrophobicContact CD2-CG2 4.38Å
481	A	21.9	Very low	25.2	Very low	96 Å²	96	154.3 Å²	154.3	79%	0.793	80%	0.796	S	S	*	*			trans	-125.6	76.2	163.4	0	0	0	0	0	110.4	K483	A481-K483 PolarHBondContact O-N 3.28Å; A481-K483 VanDerWaalsContact O-N 3.08Å
482	T	24.6	Very low	25.5	Very low	127 Å²	127	152.7 Å²	152.7	78%	0.779	80%	0.801	S	S	*	*			trans	-67.6	103.5	-179	33.8	0	0	0	0	112.3	L480	L480-T482 HydrophobicContact CD2-CG2 4.38Å
483	K	23.8	Very low	25.8	Very low	202 Å²	202	144.6 Å²	144.6	88%	0.878	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-93.5	132.5	158.3	-76.7	-174	176	178.7	0	109.7	A481	A481-K483 PolarHBondContact O-N 3.28Å; A481-K483 VanDerWaalsContact O-N 3.08Å
484	Q	24.1	Very low	26.4	Very low	164 Å²	164	142.1 Å²	142.1	77%	0.766	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-70.7	143	178	-65.2	173.5	-29	0	0	110.6	H486	Q484-H486 PolarHBondContact O-N 3.01Å
485	P	27.9	Very low	27.1	Very low	124 Å²	124	142 Å²	142	81%	0.805	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-67.8	120.8	163.8	28.9	-32.1	0	0	0	109	H487	P485-H487 PolarHBondContact O-N 2.8Å
486	H	23.4	Very low	28.3	Very low	174 Å²	174	142.7 Å²	142.7	81%	0.806	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-72.5	121.9	172.7	-79.5	-80.4	0	0	0	109.9	Q484 L488	Q484-H486 PolarHBondContact O-N 3.01Å; H486-L488 PolarHBondContact O-N 3.43Å
487	H	25	Very low	29.9	Very low	196 Å²	196	136.4 Å²	136.4	91%	0.907	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-61.9	118.7	166.9	-77.8	-69.7	0	0	0	110.3	P485	P485-H487 PolarHBondContact O-N 2.8Å
488	L	23.6	Very low	31.5	Very low	159 Å²	159	131.9 Å²	131.9	83%	0.832	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-98.5	144.9	162.3	-80.8	166.7	0	0	0	109.9	H486	H486-L488 PolarHBondContact O-N 3.43Å
489	P	26.7	Very low	33.1	Very low	106 Å²	106	129.9 Å²	129.9	69%	0.688	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-75.1	130.7	-175.6	-13.4	29.5	0	0	0	112.3	H491	P489-H491 PolarHBondContact O-N 3.32Å; P489-H491 VanDerWaalsContact O-N 3.07Å
490	S	28.1	Very low	35.3	Very low	110 Å²	110	127.1 Å²	127.1	77%	0.769	71%	0.708	S	S	*	*			trans	-74.8	93.9	172.8	41.7	0	0	0	0	111.5	L492	S490-L492 VanDerWaalsContact C-N 3.29Å; S490-L492 PolarHBondContact O-N 3.19Å
491	H	29.9	Very low	38	Very low	180 Å²	180	121 Å²	121	83%	0.833	68%	0.675	S	S	*	*			trans	-68.9	87.5	165.2	-86.1	-83.8	0	0	0	110.4	P489 A493	P489-H491 PolarHBondContact O-N 3.32Å; P489-H491 VanDerWaalsContact O-N 3.07Å; H491-A493 PolarHBondContact O-N 2.89Å
492	L	36.3	Very low	40.9	Very low	165 Å²	165	119 Å²	119	86%	0.864	65%	0.654	S	S	*	*			trans	-61.9	99.7	167.3	-80.2	163.5	0	0	0	109.6	S490	S490-L492 VanDerWaalsContact C-N 3.29Å; S490-L492 PolarHBondContact O-N 3.19Å
493	A	34	Very low	43.7	Very low	86 Å²	86	117.7 Å²	117.7	71%	0.711	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-68.1	146.1	169.7	0	0	0	0	0	110.6	H491	H491-A493 PolarHBondContact O-N 2.89Å
494	T	36.6	Very low	46.6	Very low	118 Å²	118	115.6 Å²	115.6	72%	0.724	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-59.6	150.5	175.8	33	0	0	0	0	112.4	L496	T494-L496 PolarHBondContact O-N 2.86Å
495	P	40.4	Very low	49.7	Very low	115 Å²	115	108.5 Å²	108.5	75%	0.747	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-66.3	121.5	-178.7	27.8	-34.5	0	0	0	111.1
496	L	48.5	Very low	52.6	Low	73 Å²	73	104.5 Å²	104.5	38%	0.382	58%	0.579	S	S	.	*	P	Polyproline II helix	trans	-100.9	121.8	169.2	-62.3	172.2	0	0	0	108	T494 D500 R556	T494-L496 PolarHBondContact O-N 2.86Å; L496-D500 HydrophobicContact CB-CB 3.92Å; L496-D500 HydrophobicContact CD2-CB 3.84Å; L496-D500 HydrophobicContact CG-CB 4.49Å; L496-R556 PolarHBondContact O-NE 3.26Å; L496-R556 PolarHBondContact O-NH2 3.19Å
497	S	57.3	Low	55.7	Low	35 Å²	35	102 Å²	102	25%	0.245	57%	0.568	C	S	.	*	P	Polyproline II helix	trans	-61.6	168	168	-176.8	0	0	0	0	110.9	N499 D500	S497-N499 PolarHBondContact O-N 3.39Å; S497-N499 PolarHBondContact OG-N 2.78Å; S497-D500 WeakPolarHBondContact CA-OD2 3.19Å; S497-D500 WeakPolarHBondContact CB-OD2 3.25Å; S497-D500 PolarHBondContact N-OD2 3.18Å; S497-D500 PolarHBondContact O-N 3.36Å
498	L	58.3	Low	58.9	Low	49 Å²	49	94.2 Å²	94.2	26%	0.257	53%	0.534	S	S	.	.	G	3₁₀ helix	trans	-57.1	-27.4	165.9	-137.4	158.1	0	0	0	111.2	I501 L536	L498-I501 HydrophobicContact CD2-CD1 3.98Å; L498-I501 HydrophobicContact CG-CD1 4.16Å; L498-I501 WeakPolarHBondContact O-CG1 3.43Å; L498-L536 HydrophobicContact CD1-CB 4.36Å
499	N	57.3	Low	62.2	Low	150 Å²	150	86.9 Å²	86.9	80%	0.802	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-76.9	-14.6	172.6	-62.4	-56.2	0	0	0	114.9	S497	S497-N499 PolarHBondContact O-N 3.39Å; S497-N499 PolarHBondContact OG-N 2.78Å
500	D	69.9	Low	65.1	Low	89 Å²	89	88.3 Å²	88.3	48%	0.476	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-103.9	10.9	-177.8	-55.1	-54.7	0	0	0	112.5	L496 S497 P502	L496-D500 HydrophobicContact CB-CB 3.92Å; L496-D500 HydrophobicContact CD2-CB 3.84Å; L496-D500 HydrophobicContact CG-CB 4.49Å; S497-D500 WeakPolarHBondContact CA-OD2 3.19Å; S497-D500 WeakPolarHBondContact CB-OD2 3.25Å; S497-D500 PolarHBondContact N-OD2 3.18Å; S497-D500 PolarHBondContact O-N 3.36Å; D500-P502 WeakPolarHBondContact O-CD 3.48Å
501	I	79.8	Confident	68.1	Low	22 Å²	22	85.8 Å²	85.8	11%	0.113	48%	0.475	C	S	.	.			trans	-63.4	126.5	178.8	-64.9	176.5	0	0	0	109.1	L498 I505 A506 M509 F533	L498-I501 HydrophobicContact CD2-CD1 3.98Å; L498-I501 HydrophobicContact CG-CD1 4.16Å; L498-I501 WeakPolarHBondContact O-CG1 3.43Å; I501-I505 HydrophobicContact CG2-CB 3.87Å; I501-I505 HydrophobicContact CG2-CG2 3.73Å; I501-A506 HydrophobicContact CG2-CB 4.24Å; I501-M509 HydrophobicContact CD1-CE 4.08Å; I501-M509 HydrophobicContact CG2-CE 4.31Å; I501-F533 HydrophobicContact CD1-CD1 4.36Å; I501-F533 HydrophobicContact CG1-CD1 4.26Å; I501-F533 HydrophobicContact CG1-CE1 4.46Å; I501-F533 HydrophobicContact CG2-CD1 4.23Å; I501-F533 HydrophobicContact CG2-CE1 4.46Å
502	P	83.2	Confident	71.1	Confident	54 Å²	54	77.5 Å²	77.5	35%	0.351	44%	0.437	S	S	.	.			trans	-53.9	134.3	179.3	-28.7	35.7	0	0	0	111.8	D500 R504 I505 A506	D500-P502 WeakPolarHBondContact O-CD 3.48Å; P502-R504 PolarHBondContact O-N 3.17Å; P502-I505 HydrophobicContact CB-CD1 4.3Å; P502-I505 HydrophobicContact CG-CD1 4.12Å; P502-I505 WeakPolarHBondContact O-CA 3.41Å; P502-I505 PolarHBondContact O-N 3.03Å; P502-A506 PolarHBondContact O-N 3.01Å; P502-A506 VanDerWaalsContact O-N 3.1Å
503	P	82.8	Confident	73.8	Confident	101 Å²	101	74.8 Å²	74.8	66%	0.656	42%	0.423	S	S	*	.	H	α-helix	trans	-53.3	-33.5	-171.7	-32	36.2	0	0	0	115.1	I505 A506 Q507	P503-I505 VanDerWaalsContact C-N 3.34Å; P503-I505 PolarHBondContact O-N 3.23Å; P503-A506 PolarHBondContact O-N 3.12Å; P503-Q507 WeakPolarHBondContact O-CB 3.21Å; P503-Q507 VanDerWaalsContact O-CG 3.25Å; P503-Q507 WeakPolarHBondContact O-CG 3.21Å; P503-Q507 PolarHBondContact O-N 2.79Å
504	R	84.9	Confident	76.8	Confident	158 Å²	158	72.9 Å²	72.9	60%	0.596	41%	0.405	S	S	*	.	H	α-helix	trans	-61.8	-37.7	174.5	-177.2	-179.8	175.7	-155.9	-5.5	113.2	P502 T508 A525	P502-R504 PolarHBondContact O-N 3.17Å; R504-T508 PolarHBondContact O-N 3.12Å; R504-T508 PolarHBondContact O-OG1 2.94Å; R504-A525 HydrophobicContact CG-CB 4.45Å
505	I	89.1	Confident	79.7	Confident	14 Å²	14	67.4 Å²	67.4	7%	0.072	37%	0.371	C	S	.	.	H	α-helix	trans	-77.4	-38.5	178	-65.5	168.4	0	0	0	110	I501 P502 P503 T508 M509 L522 A525 T526 F533	I501-I505 HydrophobicContact CG2-CB 3.87Å; I501-I505 HydrophobicContact CG2-CG2 3.73Å; P502-I505 HydrophobicContact CB-CD1 4.3Å; P502-I505 HydrophobicContact CG-CD1 4.12Å; P502-I505 WeakPolarHBondContact O-CA 3.41Å; P502-I505 PolarHBondContact O-N 3.03Å; P503-I505 VanDerWaalsContact C-N 3.34Å; P503-I505 PolarHBondContact O-N 3.23Å; I505-T508 WeakPolarHBondContact CA-OG1 3.25Å; I505-T508 PolarHBondContact O-N 3.23Å; I505-T508 PolarHBondContact O-OG1 3.35Å; I505-M509 HydrophobicContact CG2-CE 4.15Å; I505-M509 WeakPolarHBondContact O-CG 3.4Å; I505-M509 PolarHBondContact O-N 3.27Å; I505-L522 HydrophobicContact CG2-CD1 4.17Å; I505-A525 WeakPolarHBondContact CD1-O 3.4Å; I505-A525 HydrophobicContact CG1-CB 4Å; I505-A525 WeakPolarHBondContact CG1-O 3.27Å; I505-T526 HydrophobicContact CD1-CG2 4.3Å; I505-T526 HydrophobicContact CG1-CG2 4.27Å; I505-T526 HydrophobicContact CG2-CG2 3.87Å; I505-F533 HydrophobicContact CD1-CE1 4.33Å; I505-F533 HydrophobicContact CD1-CE2 4.36Å; I505-F533 HydrophobicContact CD1-CZ 4.1Å; I505-F533 HydrophobicContact CG2-CB 4.16Å; I505-F533 HydrophobicContact CG2-CD1 3.88Å; I505-F533 HydrophobicContact CG2-CD2 4.49Å; I505-F533 HydrophobicContact CG2-CE1 4.39Å; I505-F533 HydrophobicContact CG2-CG 3.93Å
506	A	88.6	Confident	82.4	Confident	40 Å²	40	65.4 Å²	65.4	33%	0.331	35%	0.354	S	S	.	.	H	α-helix	trans	-59.1	-46.6	173.9	0	0	0	0	0	111.4	I501 P502 P503 T508 M509 E510	I501-A506 HydrophobicContact CG2-CB 4.24Å; P502-A506 PolarHBondContact O-N 3.01Å; P502-A506 VanDerWaalsContact O-N 3.1Å; P503-A506 PolarHBondContact O-N 3.12Å; A506-T508 PolarHBondContact O-N 3.14Å; A506-M509 CarbonylContact O-C 3.43Å; A506-M509 WeakPolarHBondContact O-CA 3.42Å; A506-M509 PolarHBondContact O-N 2.99Å; A506-E510 PolarHBondContact O-N 3.05Å
507	Q	89.6	Confident	84.7	Confident	122 Å²	122	62 Å²	62	57%	0.57	34%	0.336	S	S	*	.	H	α-helix	trans	-56.2	-46.7	175.3	-78	169.6	-18.4	0	0	112.8	P503 M509 E510	P503-Q507 WeakPolarHBondContact O-CB 3.21Å; P503-Q507 VanDerWaalsContact O-CG 3.25Å; P503-Q507 WeakPolarHBondContact O-CG 3.21Å; P503-Q507 PolarHBondContact O-N 2.79Å; Q507-M509 PolarHBondContact O-N 3.35Å; Q507-M509 VanDerWaalsContact O-N 3.07Å; Q507-E510 WeakPolarHBondContact CG-OE1 3.28Å; Q507-E510 PolarHBondContact O-N 2.96Å; Q507-E510 VanDerWaalsContact O-N 3.13Å
508	T	91.1	Very high	86.6	Confident	33 Å²	33	63.7 Å²	63.7	20%	0.202	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-7.5	176	48.4	0	0	0	0	114.4	R504 I505 A506 F517 L522 A525	R504-T508 PolarHBondContact O-N 3.12Å; R504-T508 PolarHBondContact O-OG1 2.94Å; I505-T508 WeakPolarHBondContact CA-OG1 3.25Å; I505-T508 PolarHBondContact O-N 3.23Å; I505-T508 PolarHBondContact O-OG1 3.35Å; A506-T508 PolarHBondContact O-N 3.14Å; T508-F517 WeakPolarHBondContact O-CE2 3.06Å; T508-F517 WeakPolarHBondContact O-CZ 3.49Å; T508-L522 WeakPolarHBondContact OG1-CD1 3.48Å; T508-A525 HydrophobicContact CG2-CB 4Å
509	M	92.9	Very high	88.5	Confident	4 Å²	4	61.3 Å²	61.3	2%	0.02	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	8.2	175.4	-61.4	-170.2	-56.4	0	0	113.1	I501 I505 A506 Q507 S511 E512 L522 F533 L534 K537	I501-M509 HydrophobicContact CD1-CE 4.08Å; I501-M509 HydrophobicContact CG2-CE 4.31Å; I505-M509 HydrophobicContact CG2-CE 4.15Å; I505-M509 WeakPolarHBondContact O-CG 3.4Å; I505-M509 PolarHBondContact O-N 3.27Å; A506-M509 CarbonylContact O-C 3.43Å; A506-M509 WeakPolarHBondContact O-CA 3.42Å; A506-M509 PolarHBondContact O-N 2.99Å; Q507-M509 PolarHBondContact O-N 3.35Å; Q507-M509 VanDerWaalsContact O-N 3.07Å; M509-S511 PolarHBondContact O-N 3.44Å; M509-E512 WeakPolarHBondContact O-CG 3.14Å; M509-L522 HydrophobicContact CG-CD1 3.48Å; M509-L522 VanDerWaalsContact CG-CD1 3.48Å; M509-L522 HydrophobicContact CG-CD2 4.13Å; M509-L522 HydrophobicContact CG-CG 4.45Å; M509-L522 HydrophobicContact SD-CD1 3.97Å; M509-L522 HydrophobicContact SD-CD2 4.3Å; M509-F533 HydrophobicContact CE-CB 4.19Å; M509-F533 VanDerWaalsContact SD-C 3.59Å; M509-F533 HydrophobicContact SD-CB 3.87Å; M509-L534 HydrophobicContact CG-CD1 4.5Å; M509-L534 HydrophobicContact SD-CB 4.49Å; M509-L534 HydrophobicContact SD-CD1 4.35Å; M509-K537 HydrophobicContact CB-CD 4.22Å; M509-K537 PolarHBondContact O-NZ 2.8Å
510	E	89.3	Confident	90.4	Very high	136 Å²	136	55.4 Å²	55.4	64%	0.636	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-45.4	-175.3	-81.5	175.1	-159.6	0	0	111.8	A506 Q507 K537	A506-E510 PolarHBondContact O-N 3.05Å; Q507-E510 WeakPolarHBondContact CG-OE1 3.28Å; Q507-E510 PolarHBondContact O-N 2.96Å; Q507-E510 VanDerWaalsContact O-N 3.13Å; E510-K537 PolarHBondContact O-NZ 3.14Å
511	S	90.6	Very high	91.7	Very high	57 Å²	57	53.7 Å²	53.7	40%	0.399	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	39.8	-174.7	65.7	0	0	0	0	115.5	M509 D513 S514	M509-S511 PolarHBondContact O-N 3.44Å; S511-D513 WeakPolarHBondContact CA-OD1 3.23Å; S511-D513 PolarHBondContact O-N 3.39Å; S511-S514 WeakPolarHBondContact O-CB 3.37Å; S511-S514 PolarHBondContact O-N 3.49Å; S511-S514 VanDerWaalsContact O-N 3.07Å
512	E	93.6	Very high	92.5	Very high	7 Å²	7	52.6 Å²	52.6	3%	0.033	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	10.6	175.7	58.3	73	-125.4	0	0	114.8	M509 F517 L534 K537 I538 R541	M509-E512 WeakPolarHBondContact O-CG 3.14Å; E512-F517 HydrophobicContact CB-CD2 4.13Å; E512-F517 HydrophobicContact CB-CE2 3.85Å; E512-F517 HydrophobicContact CB-CZ 4.27Å; E512-L534 HydrophobicContact CB-CD1 3.88Å; E512-L534 HydrophobicContact CG-CD1 4.17Å; E512-K537 HydrophobicContact CG-CD 3.7Å; E512-K537 HydrophobicContact CG-CG 4.4Å; E512-K537 WeakPolarHBondContact OE1-CE 3.27Å; E512-K537 IonicContact OE1-NZ 2.84Å; E512-K537 PolarHBondContact OE1-NZ 3.44Å; E512-K537 VanDerWaalsContact OE1-NZ 3.14Å; E512-I538 WeakPolarHBondContact OE2-CG1 3.36Å; E512-R541 PolarHBondContact O-NH1 3.44Å; E512-R541 PolarHBondContact O-NH2 3.07Å; E512-R541 IonicContact OE1-CZ 3.07Å; E512-R541 IonicContact OE1-NE 2.68Å; E512-R541 IonicContact OE1-NH1 3.92Å; E512-R541 PolarHBondContact OE1-NH1 2.86Å; E512-R541 IonicContact OE2-CZ 3.73Å; E512-R541 IonicContact OE2-NE 3.91Å; E512-R541 IonicContact OE2-NH1 2.8Å; E512-R541 PolarHBondContact OE2-NH1 2.93Å; E512-R541 IonicContact OE2-NH2 3.21Å; E512-R541 PolarHBondContact OE2-NH2 3.37Å
513	D	92.9	Very high	93.2	Very high	107 Å²	107	51 Å²	51	57%	0.572	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	-15.7	162	61.5	-27.1	0	0	0	112.6	S511	S511-D513 WeakPolarHBondContact CA-OD1 3.23Å; S511-D513 PolarHBondContact O-N 3.39Å
514	S	96.4	Very high	93.8	Very high	46 Å²	46	48.7 Å²	48.7	32%	0.322	26%	0.264	S	S	.	.	S	Bend	trans	-88.5	140.2	176.5	-174.4	0	0	0	0	111.8	S511 D516 H583	S511-S514 WeakPolarHBondContact O-CB 3.37Å; S511-S514 PolarHBondContact O-N 3.49Å; S511-S514 VanDerWaalsContact O-N 3.07Å; S514-D516 PolarHBondContact O-N 3.4Å; S514-D516 PolarHBondContact OG-N 3.22Å; S514-H583 PolarHBondContact O-CE1 3.01Å; S514-H583 VanDerWaalsContact O-CE1 3.27Å; S514-H583 PolarHBondContact O-NE2 3.05Å; S514-H583 VanDerWaalsContact O-NE2 3.07Å
515	W	97.9	Very high	94.2	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.015	24%	0.24	C	C	.	.	S	Bend	trans	-61.8	-31.7	171.4	-176	-103.6	0	0	0	112.9	F517 A584 Y587 F588 C747 R748 N817 L818 H821	W515-F517 PolarHBondContact O-N 3.34Å; W515-A584 HydrophobicContact CH2-CB 3.81Å; W515-A584 HydrophobicContact CZ3-CB 3.69Å; W515-Y587 HydrophobicContact CB-CD2 4.29Å; W515-Y587 HydrophobicContact CB-CE1 4.45Å; W515-Y587 HydrophobicContact CB-CE2 3.91Å; W515-Y587 HydrophobicContact CD2-CD1 4.46Å; W515-Y587 AromaticContact CE3-CD1 3.47Å; W515-Y587 HydrophobicContact CE3-CD1 3.47Å; W515-Y587 VanDerWaalsContact CE3-CD1 3.47Å; W515-Y587 HydrophobicContact CE3-CD2 4.4Å; W515-Y587 AromaticContact CE3-CE1 3.91Å; W515-Y587 HydrophobicContact CE3-CE1 3.91Å; W515-Y587 AromaticContact CE3-CG 3.75Å; W515-Y587 HydrophobicContact CE3-CG 3.75Å; W515-Y587 AromaticContact CZ3-CD1 3.95Å; W515-Y587 HydrophobicContact CZ3-CD1 3.95Å; W515-Y587 HydrophobicContact CZ3-CG 4.38Å; W515-F588 HydrophobicContact CH2-CZ 4.12Å; W515-F588 HydrophobicContact CZ3-CE1 4.26Å; W515-F588 HydrophobicContact CZ3-CZ 4.06Å; W515-C747 HydrophobicContact CZ2-CB 4.27Å; W515-C747 PolarHBondContact NE1-O 2.87Å; W515-R748 VanDerWaalsContact CE3-NH1 3.34Å; W515-R748 HydrophobicContact CZ2-CG 4.43Å; W515-R748 PolarHBondContact O-NH1 2.92Å; W515-N817 VanDerWaalsContact CD1-OD1 3.22Å; W515-L818 HydrophobicContact CB-CD1 4.31Å; W515-L818 HydrophobicContact CD2-CD1 3.67Å; W515-L818 HydrophobicContact CD2-CD2 4.07Å; W515-L818 HydrophobicContact CD2-CG 3.78Å; W515-L818 HydrophobicContact CE3-CD1 4.12Å; W515-L818 HydrophobicContact CE3-CD2 4.13Å; W515-L818 HydrophobicContact CE3-CG 4.31Å; W515-L818 HydrophobicContact CG-CD1 3.71Å; W515-L818 HydrophobicContact CG-CG 4.15Å; W515-L818 HydrophobicContact CH2-CD2 3.7Å; W515-L818 HydrophobicContact CH2-CG 4.35Å; W515-L818 HydrophobicContact CZ2-CD2 3.64Å; W515-L818 HydrophobicContact CZ2-CG 3.83Å; W515-L818 HydrophobicContact CZ3-CD2 3.94Å; W515-H821 AromaticContact CD1-CD2 3.85Å
516	D	96.6	Very high	94.5	Very high	72 Å²	72	41.4 Å²	41.4	39%	0.385	24%	0.239	S	C	.	.	S	Bend	trans	-82.6	57.5	-177.4	-62.6	-18.8	0	0	0	110.8	S514 P749 H821	S514-D516 PolarHBondContact O-N 3.4Å; S514-D516 PolarHBondContact OG-N 3.22Å; D516-P749 HydrophobicContact CB-CG 4.07Å; D516-P749 WeakPolarHBondContact OD1-CG 3.49Å; D516-H821 IonicContact OD1-CD2 2.81Å; D516-H821 IonicContact OD1-CE1 3.74Å; D516-H821 IonicContact OD1-NE2 3.78Å; D516-H821 PolarHBondContact OD1-NE2 3.06Å; D516-H821 IonicContact OD2-NE2 4Å
517	F	96.8	Very high	94.7	Very high	3 Å²	3	46.9 Å²	46.9	1%	0.013	26%	0.259	C	S	.	.			trans	-100.5	126.3	-175.3	-176.3	-109	0	0	0	112.2	T508 E512 W515 I519 L522 L534 H583 L752	T508-F517 WeakPolarHBondContact O-CE2 3.06Å; T508-F517 WeakPolarHBondContact O-CZ 3.49Å; E512-F517 HydrophobicContact CB-CD2 4.13Å; E512-F517 HydrophobicContact CB-CE2 3.85Å; E512-F517 HydrophobicContact CB-CZ 4.27Å; W515-F517 PolarHBondContact O-N 3.34Å; F517-I519 HydrophobicContact CD1-CB 4.34Å; F517-I519 HydrophobicContact CD1-CD1 4.42Å; F517-I519 HydrophobicContact CE1-CB 4.44Å; F517-I519 HydrophobicContact CE1-CD1 3.9Å; F517-I519 PolarHBondContact O-N 3.5Å; F517-I519 VanDerWaalsContact O-N 3.12Å; F517-L522 HydrophobicContact CE1-CD2 4.39Å; F517-L522 HydrophobicContact CZ-CD2 4.23Å; F517-L534 HydrophobicContact CE1-CD1 4.33Å; F517-L534 HydrophobicContact CE1-CD2 3.93Å; F517-L534 HydrophobicContact CZ-CD1 4.09Å; F517-L534 HydrophobicContact CZ-CD2 4.46Å; F517-H583 WeakPolarHBondContact CB-CE1 3.48Å; F517-H583 AromaticContact CD1-ND1 3.89Å; F517-H583 AromaticContact CG-CE1 3.9Å; F517-L752 VanDerWaalsContact O-CD1 3.23Å; F517-L752 WeakPolarHBondContact O-CD1 3.39Å
518	D	96.6	Very high	94.9	Very high	69 Å²	69	45.5 Å²	45.5	37%	0.369	25%	0.252	S	S	.	.			trans	-84.6	85.9	177.7	-175.7	-0.6	0	0	0	111.9	F520 S521 L522	D518-F520 PolarHBondContact O-N 2.77Å; D518-F520 PolarHBondContact OD1-N 3.15Å; D518-S521 VanDerWaalsContact CG-CB 3.45Å; D518-S521 PolarHBondContact O-N 3.36Å; D518-S521 PolarHBondContact OD1-N 3.08Å; D518-S521 WeakPolarHBondContact OD2-CB 3.35Å; D518-S521 PolarHBondContact OD2-OG 3.44Å; D518-L522 PolarHBondContact O-N 3.02Å
519	I	98.1	Very high	95.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-25.5	175.9	-167.7	64	0	0	0	113.3	F517 L522 E523 P530 L534 T576 A579 D580 W756	F517-I519 HydrophobicContact CD1-CB 4.34Å; F517-I519 HydrophobicContact CD1-CD1 4.42Å; F517-I519 HydrophobicContact CE1-CB 4.44Å; F517-I519 HydrophobicContact CE1-CD1 3.9Å; F517-I519 PolarHBondContact O-N 3.5Å; F517-I519 VanDerWaalsContact O-N 3.12Å; I519-L522 HydrophobicContact CD1-CD2 4.33Å; I519-L522 WeakPolarHBondContact O-CB 3.22Å; I519-L522 PolarHBondContact O-N 3.27Å; I519-E523 PolarHBondContact O-N 3.45Å; I519-P530 HydrophobicContact CD1-CB 4.33Å; I519-L534 HydrophobicContact CD1-CD2 3.89Å; I519-T576 HydrophobicContact CG1-CG2 3.9Å; I519-A579 HydrophobicContact CD1-CB 3.86Å; I519-D580 HydrophobicContact CG1-CB 4.11Å; I519-D580 HydrophobicContact CG2-CB 4.5Å; I519-W756 HydrophobicContact CG2-CZ2 4.06Å
520	F	97.9	Very high	95.3	Very high	26 Å²	26	48 Å²	48	11%	0.114	26%	0.257	C	S	.	.	H	α-helix	trans	-82.9	-32.1	-179.7	-56.9	-57.3	0	0	0	112.4	D518 L522 E523 A524 T576 L752 E755 W756	D518-F520 PolarHBondContact O-N 2.77Å; D518-F520 PolarHBondContact OD1-N 3.15Å; F520-L522 PolarHBondContact O-N 3.37Å; F520-E523 PolarHBondContact O-N 3.21Å; F520-A524 WeakPolarHBondContact O-CB 3.43Å; F520-A524 PolarHBondContact O-N 2.87Å; F520-T576 HydrophobicContact CD1-CG2 4.07Å; F520-T576 HydrophobicContact CE1-CG2 4.06Å; F520-L752 HydrophobicContact CD2-CD2 3.47Å; F520-L752 VanDerWaalsContact CD2-CD2 3.47Å; F520-L752 HydrophobicContact CE2-CB 4.25Å; F520-L752 HydrophobicContact CE2-CD2 3.71Å; F520-E755 HydrophobicContact CD1-CG 4.36Å; F520-E755 HydrophobicContact CD2-CB 4.28Å; F520-E755 HydrophobicContact CD2-CG 3.85Å; F520-E755 HydrophobicContact CE1-CG 3.95Å; F520-E755 HydrophobicContact CE2-CB 3.66Å; F520-E755 HydrophobicContact CE2-CG 3.39Å; F520-E755 HydrophobicContact CG-CG 4.32Å; F520-E755 HydrophobicContact CZ-CB 4.04Å; F520-E755 HydrophobicContact CZ-CG 3.43Å; F520-E755 VanDerWaalsContact CZ-CG 3.43Å; F520-W756 HydrophobicContact CE1-CD2 4.33Å; F520-W756 AromaticContact CE1-CE2 3.95Å; F520-W756 HydrophobicContact CE1-CE3 4.47Å; F520-W756 AromaticContact CE1-CH2 3.83Å; F520-W756 HydrophobicContact CE1-CH2 3.83Å; F520-W756 AromaticContact CE1-CZ2 3.69Å; F520-W756 HydrophobicContact CE1-CZ2 3.69Å; F520-W756 HydrophobicContact CE1-CZ3 4.24Å; F520-W756 AromaticContact CZ-CD2 3.66Å; F520-W756 HydrophobicContact CZ-CD2 3.66Å; F520-W756 AromaticContact CZ-CE2 3.4Å; F520-W756 HydrophobicContact CZ-CE3 4.16Å; F520-W756 HydrophobicContact CZ-CG 4.08Å; F520-W756 HydrophobicContact CZ-CH2 4.12Å; F520-W756 AromaticContact CZ-CZ2 3.65Å; F520-W756 HydrophobicContact CZ-CZ2 3.65Å; F520-W756 HydrophobicContact CZ-CZ3 4.37Å; F520-W756 AromaticContact CZ-NE1 3.71Å
521	S	96.9	Very high	95.7	Very high	52 Å²	52	41.6 Å²	41.6	36%	0.364	23%	0.227	S	C	.	.	H	α-helix	trans	-58.7	-38.3	163.9	-82.7	0	0	0	0	111.4	D518 A525	D518-S521 VanDerWaalsContact CG-CB 3.45Å; D518-S521 PolarHBondContact O-N 3.36Å; D518-S521 PolarHBondContact OD1-N 3.08Å; D518-S521 WeakPolarHBondContact OD2-CB 3.35Å; D518-S521 PolarHBondContact OD2-OG 3.44Å; S521-A525 VanDerWaalsContact O-CB 3.24Å; S521-A525 WeakPolarHBondContact O-CB 3.21Å; S521-A525 PolarHBondContact O-N 3.16Å
522	L	96.8	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-69.1	-44.5	173.6	-172.2	66.9	0	0	0	112.4	I505 T508 M509 F517 D518 I519 F520 A524 A525 T526 P530 L534	I505-L522 HydrophobicContact CG2-CD1 4.17Å; T508-L522 WeakPolarHBondContact OG1-CD1 3.48Å; M509-L522 HydrophobicContact CG-CD1 3.48Å; M509-L522 VanDerWaalsContact CG-CD1 3.48Å; M509-L522 HydrophobicContact CG-CD2 4.13Å; M509-L522 HydrophobicContact CG-CG 4.45Å; M509-L522 HydrophobicContact SD-CD1 3.97Å; M509-L522 HydrophobicContact SD-CD2 4.3Å; F517-L522 HydrophobicContact CE1-CD2 4.39Å; F517-L522 HydrophobicContact CZ-CD2 4.23Å; D518-L522 PolarHBondContact O-N 3.02Å; I519-L522 HydrophobicContact CD1-CD2 4.33Å; I519-L522 WeakPolarHBondContact O-CB 3.22Å; I519-L522 PolarHBondContact O-N 3.27Å; F520-L522 PolarHBondContact O-N 3.37Å; L522-A524 VanDerWaalsContact C-N 3.27Å; L522-A524 PolarHBondContact O-N 2.91Å; L522-A525 PolarHBondContact O-N 3.34Å; L522-T526 HydrophobicContact CD1-CG2 3.68Å; L522-T526 HydrophobicContact CG-CG2 4Å; L522-T526 WeakPolarHBondContact O-CB 3.44Å; L522-T526 VanDerWaalsContact O-CG2 3.27Å; L522-T526 WeakPolarHBondContact O-CG2 3.48Å; L522-T526 PolarHBondContact O-N 3.21Å; L522-T526 PolarHBondContact O-OG1 3.1Å; L522-P530 HydrophobicContact CD2-CB 3.78Å; L522-P530 HydrophobicContact CG-CB 3.95Å; L522-L534 HydrophobicContact CD2-CB 3.83Å; L522-L534 HydrophobicContact CD2-CD1 4.39Å; L522-L534 HydrophobicContact CD2-CD2 4.08Å; L522-L534 HydrophobicContact CD2-CG 4.33Å
523	E	97.4	Very high	96.1	Very high	19 Å²	19	40.1 Å²	40.1	9%	0.089	21%	0.214	C	C	.	.	H	α-helix	trans	-52.7	-46.2	173.1	-179	-177.4	-117.1	0	0	111.3	I519 F520 T526 M527 K528 T576 R759	I519-E523 PolarHBondContact O-N 3.45Å; F520-E523 PolarHBondContact O-N 3.21Å; E523-T526 PolarHBondContact O-OG1 3.37Å; E523-M527 PolarHBondContact O-N 3.48Å; E523-M527 VanDerWaalsContact O-N 3.1Å; E523-K528 HydrophobicContact CG-CG 4.08Å; E523-K528 PolarHBondContact O-N 3.5Å; E523-T576 HydrophobicContact CB-CG2 3.97Å; E523-T576 HydrophobicContact CG-CG2 4.23Å; E523-T576 WeakPolarHBondContact CG-OG1 3.48Å; E523-T576 WeakPolarHBondContact OE1-CB 3.29Å; E523-T576 PolarHBondContact OE1-OG1 3.06Å; E523-R759 IonicContact OE1-CZ 2.76Å; E523-R759 IonicContact OE1-NH1 3.46Å; E523-R759 PolarHBondContact OE1-NH1 2.93Å; E523-R759 IonicContact OE1-NH2 3.57Å; E523-R759 IonicContact OE2-CZ 2.75Å; E523-R759 IonicContact OE2-NH1 3.89Å; E523-R759 PolarHBondContact OE2-NH1 2.94Å; E523-R759 IonicContact OE2-NH2 3.35Å; E523-R759 PolarHBondContact OE2-NH2 3.32Å
524	A	95.4	Very high	96.4	Very high	53 Å²	53	35 Å²	35	44%	0.438	19%	0.187	S	C	.	.	H	α-helix	trans	-72.1	-35.5	179.3	0	0	0	0	0	113.5	F520 L522	F520-A524 WeakPolarHBondContact O-CB 3.43Å; F520-A524 PolarHBondContact O-N 2.87Å; L522-A524 VanDerWaalsContact C-N 3.27Å; L522-A524 PolarHBondContact O-N 2.91Å
525	A	94.7	Very high	96.4	Very high	12 Å²	12	32.9 Å²	32.9	10%	0.099	17%	0.171	C	C	.	.	H	α-helix	trans	-73.3	-32.9	177.2	0	0	0	0	0	112.7	R504 I505 T508 S521 L522	R504-A525 HydrophobicContact CG-CB 4.45Å; I505-A525 WeakPolarHBondContact CD1-O 3.4Å; I505-A525 HydrophobicContact CG1-CB 4Å; I505-A525 WeakPolarHBondContact CG1-O 3.27Å; T508-A525 HydrophobicContact CG2-CB 4Å; S521-A525 VanDerWaalsContact O-CB 3.24Å; S521-A525 WeakPolarHBondContact O-CB 3.21Å; S521-A525 PolarHBondContact O-N 3.16Å; L522-A525 PolarHBondContact O-N 3.34Å
526	T	94.6	Very high	96.3	Very high	8 Å²	8	33 Å²	33	5%	0.049	17%	0.172	C	C	.	.	H	α-helix	trans	-91.3	-6.7	-178.7	60.6	0	0	0	0	114.1	I505 L522 E523 R529 F533	I505-T526 HydrophobicContact CD1-CG2 4.3Å; I505-T526 HydrophobicContact CG1-CG2 4.27Å; I505-T526 HydrophobicContact CG2-CG2 3.87Å; L522-T526 HydrophobicContact CD1-CG2 3.68Å; L522-T526 HydrophobicContact CG-CG2 4Å; L522-T526 WeakPolarHBondContact O-CB 3.44Å; L522-T526 VanDerWaalsContact O-CG2 3.27Å; L522-T526 WeakPolarHBondContact O-CG2 3.48Å; L522-T526 PolarHBondContact O-N 3.21Å; L522-T526 PolarHBondContact O-OG1 3.1Å; E523-T526 PolarHBondContact O-OG1 3.37Å; T526-R529 WeakPolarHBondContact O-CB 3.45Å; T526-R529 PolarHBondContact OG1-N 2.71Å; T526-R529 VanDerWaalsContact OG1-N 3.1Å; T526-F533 HydrophobicContact CG2-CB 4.17Å; T526-F533 HydrophobicContact CG2-CD2 3.4Å; T526-F533 VanDerWaalsContact CG2-CD2 3.4Å; T526-F533 HydrophobicContact CG2-CE2 4.01Å; T526-F533 HydrophobicContact CG2-CG 3.98Å
527	M	93.3	Very high	96.3	Very high	154 Å²	154	32.2 Å²	32.2	76%	0.759	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	61	58	-174.1	-56.9	-62.8	-59.6	0	0	112.9	E523	E523-M527 PolarHBondContact O-N 3.48Å; E523-M527 VanDerWaalsContact O-N 3.1Å
528	K	92.3	Very high	96.3	Very high	94 Å²	94	32 Å²	32	41%	0.409	17%	0.165	S	C	.	.	S	Bend	trans	58.1	42.5	-172.1	-68.7	-160.7	172.3	-155	0	113.6	E523 P530 S568	E523-K528 HydrophobicContact CG-CG 4.08Å; E523-K528 PolarHBondContact O-N 3.5Å; K528-P530 VanDerWaalsContact C-CD 3.44Å; K528-S568 PolarHBondContact NZ-O 3.48Å
529	R	95.9	Very high	96.4	Very high	90 Å²	90	28.8 Å²	28.8	34%	0.34	15%	0.147	S	C	.	.			trans	-131.8	42.2	174.7	-56.3	-167.3	63.9	-175	-1.8	114.4	T526 L531 F533 E563	T526-R529 WeakPolarHBondContact O-CB 3.45Å; T526-R529 PolarHBondContact OG1-N 2.71Å; T526-R529 VanDerWaalsContact OG1-N 3.1Å; R529-L531 VanDerWaalsContact C-N 3.33Å; R529-L531 PolarHBondContact O-N 2.95Å; R529-F533 HydrophobicContact CB-CE2 4.47Å; R529-F533 WeakPolarHBondContact O-CD2 3.41Å; R529-E563 WeakPolarHBondContact CA-OE1 3.28Å; R529-E563 WeakPolarHBondContact CB-OE2 3.37Å; R529-E563 IonicContact CZ-OE2 3.74Å; R529-E563 IonicContact NE-OE2 3.51Å; R529-E563 PolarHBondContact NE-OE2 3.42Å; R529-E563 IonicContact NH2-OE2 2.68Å; R529-E563 PolarHBondContact NH2-OE2 3.05Å; R529-E563 VanDerWaalsContact O-OE1 3.12Å
530	P	97.4	Very high	96.2	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67	-34	-173.8	28.4	-34.7	0	0	0	112.3	I519 L522 K528 T532 F533 L534 T576 A579	I519-P530 HydrophobicContact CD1-CB 4.33Å; L522-P530 HydrophobicContact CD2-CB 3.78Å; L522-P530 HydrophobicContact CG-CB 3.95Å; K528-P530 VanDerWaalsContact C-CD 3.44Å; P530-T532 PolarHBondContact O-N 2.9Å; P530-F533 PolarHBondContact O-N 3.15Å; P530-L534 WeakPolarHBondContact O-CB 3.38Å; P530-L534 PolarHBondContact O-N 3.31Å; P530-T576 HydrophobicContact CG-CG2 4.23Å; P530-A579 HydrophobicContact CB-CB 3.9Å; P530-A579 HydrophobicContact CG-CB 3.97Å
531	L	98.3	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-64.5	-40.4	-174.1	-170.5	64.3	0	0	0	112.6	R529 G535 I562 E563 Y566 A578 A579 L582 T611	R529-L531 VanDerWaalsContact C-N 3.33Å; R529-L531 PolarHBondContact O-N 2.95Å; L531-G535 VanDerWaalsContact O-CA 3.31Å; L531-G535 WeakPolarHBondContact O-CA 3.37Å; L531-G535 PolarHBondContact O-N 2.87Å; L531-I562 HydrophobicContact CD2-CG2 4.13Å; L531-E563 HydrophobicContact CB-CB 4.45Å; L531-E563 HydrophobicContact CB-CG 4.43Å; L531-E563 HydrophobicContact CD2-CB 4.4Å; L531-E563 PolarHBondContact N-OE1 2.7Å; L531-Y566 HydrophobicContact CD2-CD2 4.07Å; L531-Y566 HydrophobicContact CD2-CE2 3.81Å; L531-A578 HydrophobicContact CD1-CB 4.21Å; L531-A578 HydrophobicContact CD2-CB 4.15Å; L531-A579 HydrophobicContact CB-CB 4.28Å; L531-A579 HydrophobicContact CD1-CB 4.16Å; L531-L582 HydrophobicContact CD1-CD2 4.1Å; L531-T611 HydrophobicContact CD1-CG2 4.2Å; L531-T611 HydrophobicContact CD2-CG2 4.3Å; L531-T611 HydrophobicContact CG-CG2 4.4Å
532	T	96.6	Very high	96.1	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.025	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-46.6	175.9	-68.3	0	0	0	0	111.9	P530 L536 Q560 E563	P530-T532 PolarHBondContact O-N 2.9Å; T532-L536 HydrophobicContact CG2-CD1 4.36Å; T532-L536 VanDerWaalsContact O-CG 3.28Å; T532-L536 WeakPolarHBondContact O-CG 3.4Å; T532-L536 PolarHBondContact O-N 2.99Å; T532-Q560 HydrophobicContact CG2-CG 3.8Å; T532-E563 WeakPolarHBondContact CB-OE2 3.31Å; T532-E563 PolarHBondContact N-OE1 3.34Å; T532-E563 PolarHBondContact OG1-OE1 3.08Å; T532-E563 PolarHBondContact OG1-OE2 2.78Å
533	F	96	Very high	96.1	Very high	30 Å²	30	35.3 Å²	35.3	13%	0.132	18%	0.182	C	C	.	.	H	α-helix	trans	-77.5	-44.8	-174.4	-70.6	-83.5	0	0	0	112.3	I501 I505 M509 T526 R529 P530 L536 K537	I501-F533 HydrophobicContact CD1-CD1 4.36Å; I501-F533 HydrophobicContact CG1-CD1 4.26Å; I501-F533 HydrophobicContact CG1-CE1 4.46Å; I501-F533 HydrophobicContact CG2-CD1 4.23Å; I501-F533 HydrophobicContact CG2-CE1 4.46Å; I505-F533 HydrophobicContact CD1-CE1 4.33Å; I505-F533 HydrophobicContact CD1-CE2 4.36Å; I505-F533 HydrophobicContact CD1-CZ 4.1Å; I505-F533 HydrophobicContact CG2-CB 4.16Å; I505-F533 HydrophobicContact CG2-CD1 3.88Å; I505-F533 HydrophobicContact CG2-CD2 4.49Å; I505-F533 HydrophobicContact CG2-CE1 4.39Å; I505-F533 HydrophobicContact CG2-CG 3.93Å; M509-F533 HydrophobicContact CE-CB 4.19Å; M509-F533 VanDerWaalsContact SD-C 3.59Å; M509-F533 HydrophobicContact SD-CB 3.87Å; T526-F533 HydrophobicContact CG2-CB 4.17Å; T526-F533 HydrophobicContact CG2-CD2 3.4Å; T526-F533 VanDerWaalsContact CG2-CD2 3.4Å; T526-F533 HydrophobicContact CG2-CE2 4.01Å; T526-F533 HydrophobicContact CG2-CG 3.98Å; R529-F533 HydrophobicContact CB-CE2 4.47Å; R529-F533 WeakPolarHBondContact O-CD2 3.41Å; P530-F533 PolarHBondContact O-N 3.15Å; F533-L536 PolarHBondContact O-N 2.95Å; F533-K537 PolarHBondContact O-N 3.35Å
534	L	97.8	Very high	96.1	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69	-39.9	178.5	-166.3	55.8	0	0	0	111.3	M509 E512 F517 I519 L522 P530 L536 K537 I538 A579 H583	M509-L534 HydrophobicContact CG-CD1 4.5Å; M509-L534 HydrophobicContact SD-CB 4.49Å; M509-L534 HydrophobicContact SD-CD1 4.35Å; E512-L534 HydrophobicContact CB-CD1 3.88Å; E512-L534 HydrophobicContact CG-CD1 4.17Å; F517-L534 HydrophobicContact CE1-CD1 4.33Å; F517-L534 HydrophobicContact CE1-CD2 3.93Å; F517-L534 HydrophobicContact CZ-CD1 4.09Å; F517-L534 HydrophobicContact CZ-CD2 4.46Å; I519-L534 HydrophobicContact CD1-CD2 3.89Å; L522-L534 HydrophobicContact CD2-CB 3.83Å; L522-L534 HydrophobicContact CD2-CD1 4.39Å; L522-L534 HydrophobicContact CD2-CD2 4.08Å; L522-L534 HydrophobicContact CD2-CG 4.33Å; P530-L534 WeakPolarHBondContact O-CB 3.38Å; P530-L534 PolarHBondContact O-N 3.31Å; L534-L536 PolarHBondContact O-N 2.85Å; L534-K537 PolarHBondContact O-N 3.16Å; L534-I538 HydrophobicContact CD1-CD1 4.03Å; L534-I538 HydrophobicContact CD1-CG1 4.34Å; L534-I538 HydrophobicContact CD2-CD1 4.44Å; L534-I538 HydrophobicContact CG-CD1 3.77Å; L534-I538 HydrophobicContact CG-CG1 4.41Å; L534-I538 WeakPolarHBondContact O-CB 3.4Å; L534-I538 WeakPolarHBondContact O-CG1 3.38Å; L534-I538 PolarHBondContact O-N 2.68Å; L534-A579 HydrophobicContact CD2-CB 4.28Å; L534-H583 HydrophobicContact CD2-CB 4.18Å
535	G	97.7	Very high	96.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.3	-46.4	173	0	0	0	0	0	112.4	L531 K537 I538 F539	L531-G535 VanDerWaalsContact O-CA 3.31Å; L531-G535 WeakPolarHBondContact O-CA 3.37Å; L531-G535 PolarHBondContact O-N 2.87Å; G535-K537 PolarHBondContact O-N 3.08Å; G535-I538 PolarHBondContact O-N 2.91Å; G535-F539 WeakPolarHBondContact O-CB 3.28Å; G535-F539 WeakPolarHBondContact O-CD2 3.45Å; G535-F539 WeakPolarHBondContact O-CG 3.47Å; G535-F539 PolarHBondContact O-N 3.01Å
536	L	95.8	Very high	96.1	Very high	6 Å²	6	38.7 Å²	38.7	3%	0.031	19%	0.188	C	C	.	.	H	α-helix	trans	-59.5	-44.3	175.7	-78.2	170.6	0	0	0	112.5	L498 T532 F533 L534 S540 E552 L555 R556 L559	L498-L536 HydrophobicContact CD1-CB 4.36Å; T532-L536 HydrophobicContact CG2-CD1 4.36Å; T532-L536 VanDerWaalsContact O-CG 3.28Å; T532-L536 WeakPolarHBondContact O-CG 3.4Å; T532-L536 PolarHBondContact O-N 2.99Å; F533-L536 PolarHBondContact O-N 2.95Å; L534-L536 PolarHBondContact O-N 2.85Å; L536-S540 VanDerWaalsContact O-CB 3.26Å; L536-S540 WeakPolarHBondContact O-CB 3.37Å; L536-S540 PolarHBondContact O-N 3.26Å; L536-S540 VanDerWaalsContact O-N 3.15Å; L536-E552 HydrophobicContact CD2-CG 4.36Å; L536-L555 HydrophobicContact CD2-CD2 4.14Å; L536-L555 HydrophobicContact CD2-CG 4.24Å; L536-R556 HydrophobicContact CD1-CG 4.39Å; L536-R556 HydrophobicContact CD2-CB 4.15Å; L536-L559 HydrophobicContact CD2-CD1 4.08Å; L536-L559 HydrophobicContact CG-CD1 3.82Å
537	K	95.5	Very high	96.3	Very high	56 Å²	56	41.6 Å²	41.6	24%	0.243	20%	0.2	C	C	.	.	H	α-helix	trans	-67.5	-48.2	178.8	-175.1	173.5	171	-165	0	111.9	M509 E510 E512 F533 L534 G535 S540 R541	M509-K537 HydrophobicContact CB-CD 4.22Å; M509-K537 PolarHBondContact O-NZ 2.8Å; E510-K537 PolarHBondContact O-NZ 3.14Å; E512-K537 HydrophobicContact CG-CD 3.7Å; E512-K537 HydrophobicContact CG-CG 4.4Å; E512-K537 WeakPolarHBondContact OE1-CE 3.27Å; E512-K537 IonicContact OE1-NZ 2.84Å; E512-K537 PolarHBondContact OE1-NZ 3.44Å; E512-K537 VanDerWaalsContact OE1-NZ 3.14Å; F533-K537 PolarHBondContact O-N 3.35Å; L534-K537 PolarHBondContact O-N 3.16Å; G535-K537 PolarHBondContact O-N 3.08Å; K537-S540 PolarHBondContact O-N 2.98Å; K537-R541 PolarHBondContact O-N 2.76Å
538	I	97.9	Very high	96.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.1	-46.6	-178.4	-71.9	175.5	0	0	0	111.3	E512 L534 G535 S540 R541 F542 L582 A586 L607	E512-I538 WeakPolarHBondContact OE2-CG1 3.36Å; L534-I538 HydrophobicContact CD1-CD1 4.03Å; L534-I538 HydrophobicContact CD1-CG1 4.34Å; L534-I538 HydrophobicContact CD2-CD1 4.44Å; L534-I538 HydrophobicContact CG-CD1 3.77Å; L534-I538 HydrophobicContact CG-CG1 4.41Å; L534-I538 WeakPolarHBondContact O-CB 3.4Å; L534-I538 WeakPolarHBondContact O-CG1 3.38Å; L534-I538 PolarHBondContact O-N 2.68Å; G535-I538 PolarHBondContact O-N 2.91Å; I538-S540 VanDerWaalsContact C-N 3.27Å; I538-S540 PolarHBondContact O-N 3.41Å; I538-R541 WeakPolarHBondContact O-CB 3.3Å; I538-R541 PolarHBondContact O-N 2.95Å; I538-R541 VanDerWaalsContact O-N 3.14Å; I538-F542 HydrophobicContact CG2-CD2 4.15Å; I538-F542 WeakPolarHBondContact O-CD2 3.32Å; I538-F542 PolarHBondContact O-N 3.23Å; I538-L582 HydrophobicContact CD1-CD2 4.48Å; I538-L582 HydrophobicContact CD1-CG 4.06Å; I538-L582 HydrophobicContact CG2-CD1 4.34Å; I538-A586 HydrophobicContact CD1-CB 4Å; I538-A586 HydrophobicContact CG1-CB 4.39Å; I538-A586 HydrophobicContact CG2-CB 3.75Å; I538-L607 HydrophobicContact CG2-CD1 4.37Å; I538-L607 HydrophobicContact CG2-CD2 3.65Å
539	F	97.9	Very high	96.5	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-66.5	-30.8	-179.8	-80.3	-128.6	0	0	0	111.8	G535 G543 V544 L555 W558 L582 L607 I608	G535-F539 WeakPolarHBondContact O-CB 3.28Å; G535-F539 WeakPolarHBondContact O-CD2 3.45Å; G535-F539 WeakPolarHBondContact O-CG 3.47Å; G535-F539 PolarHBondContact O-N 3.01Å; F539-G543 PolarHBondContact O-N 2.85Å; F539-G543 VanDerWaalsContact O-N 3.16Å; F539-V544 HydrophobicContact CB-CB 3.99Å; F539-V544 HydrophobicContact CB-CG2 3.98Å; F539-V544 HydrophobicContact CD1-CB 3.67Å; F539-V544 HydrophobicContact CD1-CG1 3.49Å; F539-V544 VanDerWaalsContact CD1-CG1 3.49Å; F539-V544 HydrophobicContact CD1-CG2 3.9Å; F539-V544 HydrophobicContact CE1-CG1 3.92Å; F539-V544 HydrophobicContact CG-CB 4.11Å; F539-V544 HydrophobicContact CG-CG1 4.38Å; F539-V544 HydrophobicContact CG-CG2 3.98Å; F539-V544 WeakPolarHBondContact O-CG2 3.47Å; F539-V544 PolarHBondContact O-N 3.23Å; F539-L555 HydrophobicContact CB-CD2 3.58Å; F539-L555 HydrophobicContact CD1-CD1 3.45Å; F539-L555 VanDerWaalsContact CD1-CD1 3.45Å; F539-L555 HydrophobicContact CD1-CD2 4.05Å; F539-L555 HydrophobicContact CD1-CG 4.41Å; F539-L555 HydrophobicContact CE1-CD1 3.87Å; F539-L555 HydrophobicContact CG-CD1 4.17Å; F539-L555 HydrophobicContact CG-CD2 4.14Å; F539-W558 HydrophobicContact CE1-CH2 4.47Å; F539-W558 AromaticContact CE1-CZ3 3.84Å; F539-W558 HydrophobicContact CE1-CZ3 3.84Å; F539-W558 HydrophobicContact CZ-CH2 4.31Å; F539-W558 AromaticContact CZ-CZ3 3.84Å; F539-W558 HydrophobicContact CZ-CZ3 3.84Å; F539-L582 HydrophobicContact CE2-CD1 4.01Å; F539-L582 HydrophobicContact CE2-CD2 4.15Å; F539-L607 HydrophobicContact CE2-CB 4.04Å; F539-L607 HydrophobicContact CZ-CB 4.18Å; F539-I608 HydrophobicContact CE1-CG1 4.01Å; F539-I608 HydrophobicContact CZ-CG1 4.17Å
540	S	94.9	Very high	96.5	Very high	67 Å²	67	31.1 Å²	31.1	47%	0.469	16%	0.159	S	C	.	.	H	α-helix	trans	-69.5	-42.6	170.4	-179.5	0	0	0	0	112	L536 K537 I538 F542 G543	L536-S540 VanDerWaalsContact O-CB 3.26Å; L536-S540 WeakPolarHBondContact O-CB 3.37Å; L536-S540 PolarHBondContact O-N 3.26Å; L536-S540 VanDerWaalsContact O-N 3.15Å; K537-S540 PolarHBondContact O-N 2.98Å; I538-S540 VanDerWaalsContact C-N 3.27Å; I538-S540 PolarHBondContact O-N 3.41Å; S540-F542 VanDerWaalsContact C-N 3.26Å; S540-F542 PolarHBondContact O-N 3.31Å; S540-G543 PolarHBondContact O-N 2.87Å
541	R	95.3	Very high	96.3	Very high	89 Å²	89	34.5 Å²	34.5	34%	0.336	18%	0.181	S	C	.	.	H	α-helix	trans	-59.4	-35	175.5	-178.2	173.2	69.1	-178	0.3	112.8	E512 K537 I538	E512-R541 PolarHBondContact O-NH1 3.44Å; E512-R541 PolarHBondContact O-NH2 3.07Å; E512-R541 IonicContact OE1-CZ 3.07Å; E512-R541 IonicContact OE1-NE 2.68Å; E512-R541 IonicContact OE1-NH1 3.92Å; E512-R541 PolarHBondContact OE1-NH1 2.86Å; E512-R541 IonicContact OE2-CZ 3.73Å; E512-R541 IonicContact OE2-NE 3.91Å; E512-R541 IonicContact OE2-NH1 2.8Å; E512-R541 PolarHBondContact OE2-NH1 2.93Å; E512-R541 IonicContact OE2-NH2 3.21Å; E512-R541 PolarHBondContact OE2-NH2 3.37Å; K537-R541 PolarHBondContact O-N 2.76Å; I538-R541 WeakPolarHBondContact O-CB 3.3Å; I538-R541 PolarHBondContact O-N 2.95Å; I538-R541 VanDerWaalsContact O-N 3.14Å
542	F	97.1	Very high	96.1	Very high	37 Å²	37	37.8 Å²	37.8	16%	0.162	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	6.1	179.4	-81.2	-93.4	0	0	0	114.5	I538 S540 V544 A586 L589 L607	I538-F542 HydrophobicContact CG2-CD2 4.15Å; I538-F542 WeakPolarHBondContact O-CD2 3.32Å; I538-F542 PolarHBondContact O-N 3.23Å; S540-F542 VanDerWaalsContact C-N 3.26Å; S540-F542 PolarHBondContact O-N 3.31Å; F542-V544 VanDerWaalsContact C-N 3.3Å; F542-V544 HydrophobicContact CB-CG2 4Å; F542-V544 PolarHBondContact O-N 2.92Å; F542-A586 HydrophobicContact CE2-CB 3.97Å; F542-L589 HydrophobicContact CE1-CB 3.79Å; F542-L589 HydrophobicContact CE1-CD1 4.24Å; F542-L589 HydrophobicContact CZ-CB 3.79Å; F542-L589 HydrophobicContact CZ-CD1 4.47Å; F542-L607 HydrophobicContact CB-CD1 3.59Å; F542-L607 HydrophobicContact CD1-CD1 4.14Å; F542-L607 HydrophobicContact CD2-CD1 3.98Å; F542-L607 HydrophobicContact CG-CD1 3.65Å
543	G	96.8	Very high	95.9	Very high	23 Å²	23	40.5 Å²	40.5	24%	0.237	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	30.2	176	0	0	0	0	0	114.9	F539 S540 C545 E546 F547	F539-G543 PolarHBondContact O-N 2.85Å; F539-G543 VanDerWaalsContact O-N 3.16Å; S540-G543 PolarHBondContact O-N 2.87Å; G543-C545 VanDerWaalsContact C-N 3.35Å; G543-C545 PolarHBondContact O-N 3.32Å; G543-E546 VanDerWaalsContact CA-OE2 3.24Å; G543-E546 WeakPolarHBondContact CA-OE2 3.18Å; G543-E546 WeakPolarHBondContact O-CB 3.37Å; G543-E546 PolarHBondContact O-N 2.86Å; G543-F547 PolarHBondContact O-N 3.48Å
544	V	97.2	Very high	95.9	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.006	22%	0.219	C	C	.	.	H	α-helix	trans	-69.1	-33.5	-171.2	-176.6	0	0	0	0	111.9	F539 F542 E546 L548 V604 L607	F539-V544 HydrophobicContact CB-CB 3.99Å; F539-V544 HydrophobicContact CB-CG2 3.98Å; F539-V544 HydrophobicContact CD1-CB 3.67Å; F539-V544 HydrophobicContact CD1-CG1 3.49Å; F539-V544 VanDerWaalsContact CD1-CG1 3.49Å; F539-V544 HydrophobicContact CD1-CG2 3.9Å; F539-V544 HydrophobicContact CE1-CG1 3.92Å; F539-V544 HydrophobicContact CG-CB 4.11Å; F539-V544 HydrophobicContact CG-CG1 4.38Å; F539-V544 HydrophobicContact CG-CG2 3.98Å; F539-V544 WeakPolarHBondContact O-CG2 3.47Å; F539-V544 PolarHBondContact O-N 3.23Å; F542-V544 VanDerWaalsContact C-N 3.3Å; F542-V544 HydrophobicContact CB-CG2 4Å; F542-V544 PolarHBondContact O-N 2.92Å; V544-E546 VanDerWaalsContact C-N 3.34Å; V544-L548 HydrophobicContact CG1-CD1 3.79Å; V544-L548 HydrophobicContact CG1-CG 4.2Å; V544-L548 WeakPolarHBondContact O-CB 3.42Å; V544-L548 VanDerWaalsContact O-CG 3.3Å; V544-L548 WeakPolarHBondContact O-CG 3.34Å; V544-L548 PolarHBondContact O-N 2.71Å; V544-V604 HydrophobicContact CG1-CG1 3.93Å; V544-V604 HydrophobicContact CG1-CG2 4.3Å; V544-V604 HydrophobicContact CG2-CG2 4.26Å; V544-L607 HydrophobicContact CG2-CD1 3.88Å
545	C	95	Very high	95.8	Very high	15 Å²	15	40.3 Å²	40.3	10%	0.101	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-42	174.9	-73.2	0	0	0	0	111.6	G543 N549 C550 L555	G543-C545 VanDerWaalsContact C-N 3.35Å; G543-C545 PolarHBondContact O-N 3.32Å; C545-N549 WeakPolarHBondContact O-CA 3.32Å; C545-N549 PolarHBondContact O-N 2.73Å; C545-C550 WeakPolarHBondContact CB-O 3.36Å; C545-C550 PolarHBondContact O-N 2.82Å; C545-L555 VanDerWaalsContact SG-CD2 3.5Å
546	E	95.9	Very high	95.6	Very high	139 Å²	139	41.5 Å²	41.5	65%	0.65	23%	0.225	S	C	*	.	H	α-helix	trans	-67.8	-44.1	-179.9	-65.3	69.2	-161.7	0	0	110.6	G543 V544 N549	G543-E546 VanDerWaalsContact CA-OE2 3.24Å; G543-E546 WeakPolarHBondContact CA-OE2 3.18Å; G543-E546 WeakPolarHBondContact O-CB 3.37Å; G543-E546 PolarHBondContact O-N 2.86Å; V544-E546 VanDerWaalsContact C-N 3.34Å; E546-N549 PolarHBondContact O-N 3.2Å
547	F	96.8	Very high	95.6	Very high	68 Å²	68	43 Å²	43	30%	0.298	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-44.3	175.1	-178.1	-88.7	0	0	0	112.7	G543 N549 P600 I601 V604 I666	G543-F547 PolarHBondContact O-N 3.48Å; F547-N549 VanDerWaalsContact C-N 3.28Å; F547-N549 PolarHBondContact O-N 2.91Å; F547-P600 HydrophobicContact CD2-CB 4.37Å; F547-P600 HydrophobicContact CE2-CB 4.32Å; F547-I601 HydrophobicContact CE1-CB 4.41Å; F547-I601 HydrophobicContact CE1-CG1 4.19Å; F547-I601 HydrophobicContact CE2-CB 4.33Å; F547-I601 HydrophobicContact CZ-CB 3.67Å; F547-I601 HydrophobicContact CZ-CD1 4.31Å; F547-I601 HydrophobicContact CZ-CG1 3.81Å; F547-V604 HydrophobicContact CB-CG2 4.18Å; F547-V604 HydrophobicContact CD1-CB 4.18Å; F547-V604 HydrophobicContact CD1-CG1 4.04Å; F547-V604 HydrophobicContact CD1-CG2 3.77Å; F547-V604 HydrophobicContact CE1-CB 4.41Å; F547-V604 HydrophobicContact CE1-CG1 4.37Å; F547-V604 HydrophobicContact CE1-CG2 4.38Å; F547-V604 HydrophobicContact CG-CG2 3.92Å; F547-I666 HydrophobicContact CE1-CD1 4.23Å
548	L	96.4	Very high	95.8	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-81.2	-4.9	179.9	-64	179.6	0	0	0	114	V544 C550 V604 I608 I662 F663 I666 L674	V544-L548 HydrophobicContact CG1-CD1 3.79Å; V544-L548 HydrophobicContact CG1-CG 4.2Å; V544-L548 WeakPolarHBondContact O-CB 3.42Å; V544-L548 VanDerWaalsContact O-CG 3.3Å; V544-L548 WeakPolarHBondContact O-CG 3.34Å; V544-L548 PolarHBondContact O-N 2.71Å; L548-C550 HydrophobicContact CB-CB 4.35Å; L548-C550 PolarHBondContact O-N 2.67Å; L548-V604 HydrophobicContact CD2-CG1 4.13Å; L548-V604 HydrophobicContact CG-CG1 4.34Å; L548-I608 HydrophobicContact CD1-CD1 4.24Å; L548-I662 HydrophobicContact CD1-CB 4.09Å; L548-I662 HydrophobicContact CD1-CD1 4.02Å; L548-I662 HydrophobicContact CD1-CG1 4.38Å; L548-F663 HydrophobicContact CD1-CE1 4.4Å; L548-F663 HydrophobicContact CD2-CD1 4.2Å; L548-F663 HydrophobicContact CD2-CE1 4.36Å; L548-I666 HydrophobicContact CD2-CD1 4.01Å; L548-L674 HydrophobicContact CD2-CD2 3.59Å
549	N	95.2	Very high	95.8	Very high	109 Å²	109	40.5 Å²	40.5	58%	0.583	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.8	39.2	-172.5	-169.4	20.6	0	0	0	112.4	C545 E546 F547 H665	C545-N549 WeakPolarHBondContact O-CA 3.32Å; C545-N549 PolarHBondContact O-N 2.73Å; E546-N549 PolarHBondContact O-N 3.2Å; F547-N549 VanDerWaalsContact C-N 3.28Å; F547-N549 PolarHBondContact O-N 2.91Å; N549-H665 HydrophobicContact CB-CB 3.97Å; N549-H665 VanDerWaalsContact O-CB 3.29Å; N549-H665 WeakPolarHBondContact O-CB 3.46Å; N549-H665 PolarHBondContact O-CD2 3.03Å
550	C	94.6	Very high	95.7	Very high	8 Å²	8	44.2 Å²	44.2	5%	0.054	24%	0.242	C	C	.	.			trans	-117	140.7	-176.6	78.5	0	0	0	0	112.3	C545 L548 T554	C545-C550 WeakPolarHBondContact CB-O 3.36Å; C545-C550 PolarHBondContact O-N 2.82Å; L548-C550 HydrophobicContact CB-CB 4.35Å; L548-C550 PolarHBondContact O-N 2.67Å; C550-T554 HydrophobicContact CB-CG2 4.49Å
551	P	94.2	Very high	95.9	Very high	72 Å²	72	43.3 Å²	43.3	47%	0.468	23%	0.233	S	C	.	.			trans	-64.8	148.8	177.1	-22.7	33.7	0	0	0	113.7	A553 T554 L555	P551-A553 PolarHBondContact O-N 3.03Å; P551-A553 VanDerWaalsContact O-N 3.1Å; P551-T554 WeakPolarHBondContact O-CA 3.37Å; P551-T554 WeakPolarHBondContact O-CB 3.16Å; P551-T554 PolarHBondContact O-N 3.23Å; P551-L555 PolarHBondContact O-N 2.89Å
552	E	93.3	Very high	96	Very high	69 Å²	69	39 Å²	39	32%	0.322	22%	0.218	S	C	.	.	H	α-helix	trans	-52.5	-33.6	171.2	-169.4	-152.1	97.2	0	0	112.3	L536 T554 L555 R556	L536-E552 HydrophobicContact CD2-CG 4.36Å; E552-T554 VanDerWaalsContact C-N 3.34Å; E552-T554 PolarHBondContact O-N 3.26Å; E552-L555 PolarHBondContact O-N 3.34Å; E552-R556 WeakPolarHBondContact O-CB 3.39Å; E552-R556 PolarHBondContact O-N 3.23Å; E552-R556 IonicContact OE1-CZ 3.62Å; E552-R556 IonicContact OE1-NH1 3.7Å; E552-R556 PolarHBondContact OE1-NH1 3.25Å; E552-R556 IonicContact OE1-NH2 2.77Å; E552-R556 PolarHBondContact OE1-NH2 2.94Å
553	A	92.9	Very high	96.1	Very high	61 Å²	61	37.8 Å²	37.8	50%	0.504	21%	0.212	S	C	.	.	H	α-helix	trans	-65.8	-32.8	174.9	0	0	0	0	0	113.4	P551 S557	P551-A553 PolarHBondContact O-N 3.03Å; P551-A553 VanDerWaalsContact O-N 3.1Å; A553-S557 WeakPolarHBondContact O-CB 3.29Å; A553-S557 PolarHBondContact O-N 3.12Å; A553-S557 PolarHBondContact O-OG 3.18Å
554	T	95.9	Very high	96.1	Very high	22 Å²	22	40.6 Å²	40.6	14%	0.135	23%	0.233	C	C	.	.	H	α-helix	trans	-73.1	-45	173.5	-62.9	0	0	0	0	110.8	C550 P551 E552 R556 S557 W558 K659 I662	C550-T554 HydrophobicContact CB-CG2 4.49Å; P551-T554 WeakPolarHBondContact O-CA 3.37Å; P551-T554 WeakPolarHBondContact O-CB 3.16Å; P551-T554 PolarHBondContact O-N 3.23Å; E552-T554 VanDerWaalsContact C-N 3.34Å; E552-T554 PolarHBondContact O-N 3.26Å; T554-R556 VanDerWaalsContact C-N 3.35Å; T554-R556 PolarHBondContact O-N 3.13Å; T554-S557 PolarHBondContact O-N 2.57Å; T554-W558 WeakPolarHBondContact O-CB 3.22Å; T554-W558 PolarHBondContact O-N 3.21Å; T554-K659 VanDerWaalsContact CA-O 3.3Å; T554-K659 WeakPolarHBondContact CA-O 3.32Å; T554-K659 WeakPolarHBondContact CG2-O 3.43Å; T554-I662 HydrophobicContact CG2-CG2 4.05Å
555	L	96.4	Very high	96.1	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.021	24%	0.244	C	C	.	.	H	α-helix	trans	-58.2	-45.4	173	175.4	64.1	0	0	0	111.8	L536 F539 C545 P551 E552 S557 W558 L559 I662	L536-L555 HydrophobicContact CD2-CD2 4.14Å; L536-L555 HydrophobicContact CD2-CG 4.24Å; F539-L555 HydrophobicContact CB-CD2 3.58Å; F539-L555 HydrophobicContact CD1-CD1 3.45Å; F539-L555 VanDerWaalsContact CD1-CD1 3.45Å; F539-L555 HydrophobicContact CD1-CD2 4.05Å; F539-L555 HydrophobicContact CD1-CG 4.41Å; F539-L555 HydrophobicContact CE1-CD1 3.87Å; F539-L555 HydrophobicContact CG-CD1 4.17Å; F539-L555 HydrophobicContact CG-CD2 4.14Å; C545-L555 VanDerWaalsContact SG-CD2 3.5Å; P551-L555 PolarHBondContact O-N 2.89Å; E552-L555 PolarHBondContact O-N 3.34Å; L555-S557 PolarHBondContact O-N 3.11Å; L555-W558 HydrophobicContact CD1-CE3 3.93Å; L555-W558 HydrophobicContact CD1-CZ3 4.38Å; L555-W558 WeakPolarHBondContact O-CB 3.06Å; L555-W558 PolarHBondContact O-N 3.22Å; L555-L559 HydrophobicContact CD1-CD1 4.05Å; L555-L559 HydrophobicContact CD1-CG 4.08Å; L555-L559 HydrophobicContact CG-CD1 3.97Å; L555-L559 HydrophobicContact CG-CG 4.42Å; L555-L559 WeakPolarHBondContact O-CB 3.12Å; L555-L559 WeakPolarHBondContact O-CG 3.5Å; L555-L559 PolarHBondContact O-N 2.87Å; L555-I662 HydrophobicContact CB-CG2 4.47Å; L555-I662 HydrophobicContact CD1-CG2 4.4Å
556	R	93.4	Very high	96.3	Very high	25 Å²	25	42.5 Å²	42.5	9%	0.094	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-46.9	174.9	179.1	179.9	-71.3	93.3	4.2	111.8	L496 L536 E552 T554 W558 L559 Q560	L496-R556 PolarHBondContact O-NE 3.26Å; L496-R556 PolarHBondContact O-NH2 3.19Å; L536-R556 HydrophobicContact CD1-CG 4.39Å; L536-R556 HydrophobicContact CD2-CB 4.15Å; E552-R556 WeakPolarHBondContact O-CB 3.39Å; E552-R556 PolarHBondContact O-N 3.23Å; E552-R556 IonicContact OE1-CZ 3.62Å; E552-R556 IonicContact OE1-NH1 3.7Å; E552-R556 PolarHBondContact OE1-NH1 3.25Å; E552-R556 IonicContact OE1-NH2 2.77Å; E552-R556 PolarHBondContact OE1-NH2 2.94Å; T554-R556 VanDerWaalsContact C-N 3.35Å; T554-R556 PolarHBondContact O-N 3.13Å; R556-W558 VanDerWaalsContact C-N 3.3Å; R556-W558 PolarHBondContact O-N 2.88Å; R556-L559 PolarHBondContact O-N 3.08Å; R556-Q560 HydrophobicContact CG-CG 4.47Å; R556-Q560 WeakPolarHBondContact O-CB 3.4Å; R556-Q560 WeakPolarHBondContact O-CG 3.48Å; R556-Q560 PolarHBondContact O-N 3.24Å
557	S	95.8	Very high	96.4	Very high	38 Å²	38	38.6 Å²	38.6	27%	0.266	22%	0.223	S	C	.	.	H	α-helix	trans	-63.4	-38.4	178.9	-57.9	0	0	0	0	111.6	A553 T554 L555 V561 K659 S660	A553-S557 WeakPolarHBondContact O-CB 3.29Å; A553-S557 PolarHBondContact O-N 3.12Å; A553-S557 PolarHBondContact O-OG 3.18Å; T554-S557 PolarHBondContact O-N 2.57Å; L555-S557 PolarHBondContact O-N 3.11Å; S557-V561 WeakPolarHBondContact O-CG2 3.33Å; S557-V561 PolarHBondContact O-N 3.35Å; S557-V561 VanDerWaalsContact O-N 3.08Å; S557-K659 WeakPolarHBondContact CB-O 3.3Å; S557-S660 PolarHBondContact O-OG 3.1Å
558	W	98.4	Very high	96.4	Very high	3 Å²	3	38.9 Å²	38.9	1%	0.011	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-56.6	174.2	-178.4	75.1	0	0	0	112.3	F539 T554 L555 R556 Q560 V561 I562 I608 T611 V612 T654 S660 I662	F539-W558 HydrophobicContact CE1-CH2 4.47Å; F539-W558 AromaticContact CE1-CZ3 3.84Å; F539-W558 HydrophobicContact CE1-CZ3 3.84Å; F539-W558 HydrophobicContact CZ-CH2 4.31Å; F539-W558 AromaticContact CZ-CZ3 3.84Å; F539-W558 HydrophobicContact CZ-CZ3 3.84Å; T554-W558 WeakPolarHBondContact O-CB 3.22Å; T554-W558 PolarHBondContact O-N 3.21Å; L555-W558 HydrophobicContact CD1-CE3 3.93Å; L555-W558 HydrophobicContact CD1-CZ3 4.38Å; L555-W558 WeakPolarHBondContact O-CB 3.06Å; L555-W558 PolarHBondContact O-N 3.22Å; R556-W558 VanDerWaalsContact C-N 3.3Å; R556-W558 PolarHBondContact O-N 2.88Å; W558-Q560 PolarHBondContact O-N 3.12Å; W558-V561 PolarHBondContact O-N 3.07Å; W558-I562 HydrophobicContact CD2-CG1 4.01Å; W558-I562 HydrophobicContact CG-CG1 4.39Å; W558-I562 HydrophobicContact CZ2-CD1 4.24Å; W558-I562 HydrophobicContact CZ2-CG1 3.97Å; W558-I562 WeakPolarHBondContact O-CG1 3.29Å; W558-I562 PolarHBondContact O-N 3.14Å; W558-I608 HydrophobicContact CH2-CG1 4.35Å; W558-I608 HydrophobicContact CH2-CG2 4.13Å; W558-I608 HydrophobicContact CZ2-CG2 4.17Å; W558-T611 HydrophobicContact CH2-CG2 3.65Å; W558-T611 HydrophobicContact CZ3-CG2 3.72Å; W558-V612 HydrophobicContact CH2-CG1 3.96Å; W558-V612 HydrophobicContact CZ2-CG1 3.69Å; W558-T654 PolarHBondContact NE1-OG1 2.86Å; W558-S660 WeakPolarHBondContact CB-O 3.37Å; W558-I662 HydrophobicContact CB-CG2 3.74Å; W558-I662 HydrophobicContact CD2-CD1 3.71Å; W558-I662 HydrophobicContact CD2-CG1 4.22Å; W558-I662 HydrophobicContact CD2-CG2 4.3Å; W558-I662 HydrophobicContact CE3-CD1 4.01Å; W558-I662 HydrophobicContact CG-CD1 4.2Å; W558-I662 HydrophobicContact CG-CG1 4.18Å; W558-I662 HydrophobicContact CG-CG2 3.92Å; W558-I662 HydrophobicContact CH2-CD1 4.17Å; W558-I662 HydrophobicContact CZ2-CD1 3.87Å; W558-I662 HydrophobicContact CZ3-CD1 4.23Å
559	L	98.4	Very high	96.4	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-54.5	-41.2	178.2	-74.5	170.1	0	0	0	112	L536 L555 R556 I562 E563 T611	L536-L559 HydrophobicContact CD2-CD1 4.08Å; L536-L559 HydrophobicContact CG-CD1 3.82Å; L555-L559 HydrophobicContact CD1-CD1 4.05Å; L555-L559 HydrophobicContact CD1-CG 4.08Å; L555-L559 HydrophobicContact CG-CD1 3.97Å; L555-L559 HydrophobicContact CG-CG 4.42Å; L555-L559 WeakPolarHBondContact O-CB 3.12Å; L555-L559 WeakPolarHBondContact O-CG 3.5Å; L555-L559 PolarHBondContact O-N 2.87Å; R556-L559 PolarHBondContact O-N 3.08Å; L559-I562 PolarHBondContact O-N 3.24Å; L559-E563 WeakPolarHBondContact O-CB 3.42Å; L559-E563 PolarHBondContact O-N 2.94Å; L559-T611 HydrophobicContact CD2-CG2 3.82Å
560	Q	96.6	Very high	96.5	Very high	78 Å²	78	39.2 Å²	39.2	36%	0.364	24%	0.243	S	C	.	.	H	α-helix	trans	-67.2	-35.1	177	-70.2	-177.2	-4.4	0	0	113.2	T532 R556 W558 A564	T532-Q560 HydrophobicContact CG2-CG 3.8Å; R556-Q560 HydrophobicContact CG-CG 4.47Å; R556-Q560 WeakPolarHBondContact O-CB 3.4Å; R556-Q560 WeakPolarHBondContact O-CG 3.48Å; R556-Q560 PolarHBondContact O-N 3.24Å; W558-Q560 PolarHBondContact O-N 3.12Å; Q560-A564 WeakPolarHBondContact O-CB 3.41Å; Q560-A564 PolarHBondContact O-N 3.39Å; Q560-A564 VanDerWaalsContact O-N 3.1Å
561	V	97.8	Very high	96.7	Very high	47 Å²	47	40.8 Å²	40.8	29%	0.285	26%	0.255	S	S	.	.	H	α-helix	trans	-71.7	-41.9	174.2	166.9	0	0	0	0	111.1	S557 W558 A564 N565 L653	S557-V561 WeakPolarHBondContact O-CG2 3.33Å; S557-V561 PolarHBondContact O-N 3.35Å; S557-V561 VanDerWaalsContact O-N 3.08Å; W558-V561 PolarHBondContact O-N 3.07Å; V561-A564 PolarHBondContact O-N 3.01Å; V561-N565 PolarHBondContact O-N 3.22Å; V561-N565 PolarHBondContact O-ND2 2.92Å; V561-L653 HydrophobicContact CG1-CB 3.92Å; V561-L653 HydrophobicContact CG1-CD1 4.23Å; V561-L653 HydrophobicContact CG1-CD2 4.17Å; V561-L653 HydrophobicContact CG1-CG 4.34Å
562	I	98.4	Very high	96.9	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.1	-53.4	175.8	-62.9	-61.7	0	0	0	110.4	L531 W558 L559 A564 N565 Y566 T611 V612 I615	L531-I562 HydrophobicContact CD2-CG2 4.13Å; W558-I562 HydrophobicContact CD2-CG1 4.01Å; W558-I562 HydrophobicContact CG-CG1 4.39Å; W558-I562 HydrophobicContact CZ2-CD1 4.24Å; W558-I562 HydrophobicContact CZ2-CG1 3.97Å; W558-I562 WeakPolarHBondContact O-CG1 3.29Å; W558-I562 PolarHBondContact O-N 3.14Å; L559-I562 PolarHBondContact O-N 3.24Å; I562-A564 VanDerWaalsContact C-N 3.29Å; I562-A564 PolarHBondContact O-N 2.94Å; I562-N565 PolarHBondContact O-N 2.94Å; I562-Y566 HydrophobicContact CG2-CD2 4.37Å; I562-Y566 HydrophobicContact CG2-CE2 3.84Å; I562-Y566 WeakPolarHBondContact O-CD2 3.46Å; I562-Y566 PolarHBondContact O-N 3.43Å; I562-T611 HydrophobicContact CG2-CG2 4.17Å; I562-V612 HydrophobicContact CD1-CG1 3.92Å; I562-V612 HydrophobicContact CG1-CG1 4.28Å; I562-V612 HydrophobicContact CG2-CG1 4.14Å; I562-I615 HydrophobicContact CB-CD1 4.37Å; I562-I615 HydrophobicContact CD1-CD1 3.61Å; I562-I615 HydrophobicContact CG2-CD1 4.07Å
563	E	98.5	Very high	97.2	Very high	11 Å²	11	36 Å²	36	5%	0.051	23%	0.225	C	C	.	.	H	α-helix	trans	-56.3	-39.7	178.3	179	176.8	-98.6	0	0	112.7	R529 L531 T532 L559 N565 Y566	R529-E563 WeakPolarHBondContact CA-OE1 3.28Å; R529-E563 WeakPolarHBondContact CB-OE2 3.37Å; R529-E563 IonicContact CZ-OE2 3.74Å; R529-E563 IonicContact NE-OE2 3.51Å; R529-E563 PolarHBondContact NE-OE2 3.42Å; R529-E563 IonicContact NH2-OE2 2.68Å; R529-E563 PolarHBondContact NH2-OE2 3.05Å; R529-E563 VanDerWaalsContact O-OE1 3.12Å; L531-E563 HydrophobicContact CB-CB 4.45Å; L531-E563 HydrophobicContact CB-CG 4.43Å; L531-E563 HydrophobicContact CD2-CB 4.4Å; L531-E563 PolarHBondContact N-OE1 2.7Å; T532-E563 WeakPolarHBondContact CB-OE2 3.31Å; T532-E563 PolarHBondContact N-OE1 3.34Å; T532-E563 PolarHBondContact OG1-OE1 3.08Å; T532-E563 PolarHBondContact OG1-OE2 2.78Å; L559-E563 WeakPolarHBondContact O-CB 3.42Å; L559-E563 PolarHBondContact O-N 2.94Å; E563-N565 PolarHBondContact O-N 3.49Å; E563-Y566 PolarHBondContact O-N 2.78Å; E563-Y566 VanDerWaalsContact O-N 3.14Å
564	A	96.8	Very high	97.5	Very high	81 Å²	81	33.2 Å²	33.2	67%	0.669	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-11.9	179	0	0	0	0	0	114.6	Q560 V561 I562	Q560-A564 WeakPolarHBondContact O-CB 3.41Å; Q560-A564 PolarHBondContact O-N 3.39Å; Q560-A564 VanDerWaalsContact O-N 3.1Å; V561-A564 PolarHBondContact O-N 3.01Å; I562-A564 VanDerWaalsContact C-N 3.29Å; I562-A564 PolarHBondContact O-N 2.94Å
565	N	98.3	Very high	97.6	Very high	47 Å²	47	32.4 Å²	32.4	25%	0.251	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	1.2	173.3	-70.2	-99.9	0	0	0	112.4	V561 I562 E563 I615 D616 L653	V561-N565 PolarHBondContact O-N 3.22Å; V561-N565 PolarHBondContact O-ND2 2.92Å; I562-N565 PolarHBondContact O-N 2.94Å; E563-N565 PolarHBondContact O-N 3.49Å; N565-I615 HydrophobicContact CB-CD1 3.94Å; N565-I615 HydrophobicContact CB-CG1 3.74Å; N565-D616 WeakPolarHBondContact O-CA 3.44Å; N565-D616 PolarHBondContact O-N 3.44Å; N565-L653 HydrophobicContact CB-CD1 4.15Å
566	Y	98.7	Very high	97.7	Very high	9 Å²	9	32.3 Å²	32.3	4%	0.035	20%	0.197	C	C	.	.	S	Bend	trans	-82.1	130	163.5	-81.7	-86.5	0	0	0	110.3	L531 I562 E563 S568 A578 T611 D614 I615	L531-Y566 HydrophobicContact CD2-CD2 4.07Å; L531-Y566 HydrophobicContact CD2-CE2 3.81Å; I562-Y566 HydrophobicContact CG2-CD2 4.37Å; I562-Y566 HydrophobicContact CG2-CE2 3.84Å; I562-Y566 WeakPolarHBondContact O-CD2 3.46Å; I562-Y566 PolarHBondContact O-N 3.43Å; E563-Y566 PolarHBondContact O-N 2.78Å; E563-Y566 VanDerWaalsContact O-N 3.14Å; Y566-S568 PolarHBondContact O-N 3.01Å; Y566-A578 HydrophobicContact CD1-CB 4.47Å; Y566-A578 HydrophobicContact CE1-CB 3.72Å; Y566-A578 HydrophobicContact CE2-CB 3.94Å; Y566-A578 VanDerWaalsContact CZ-CB 3.41Å; Y566-A578 WeakPolarHBondContact OH-CB 3.41Å; Y566-T611 PolarHBondContact OH-O 2.86Å; Y566-D614 HydrophobicContact CE1-CB 3.69Å; Y566-D614 VanDerWaalsContact CE1-O 3.27Å; Y566-D614 WeakPolarHBondContact CE1-O 3.44Å; Y566-D614 PolarHBondContact OH-N 2.85Å; Y566-I615 HydrophobicContact CD2-CG1 4.49Å; Y566-I615 HydrophobicContact CE2-CB 4.12Å; Y566-I615 HydrophobicContact CE2-CG1 4.35Å
567	H	98	Very high	98	Very high	57 Å²	57	31.1 Å²	31.1	26%	0.264	19%	0.192	S	C	.	.			trans	-76.3	98.6	-173.3	-67.6	-164.2	0	0	0	110.3	S569 N570 N574 D616	H567-S569 PolarHBondContact O-N 3.44Å; H567-N570 WeakPolarHBondContact O-CB 3.44Å; H567-N570 PolarHBondContact O-N 3.4Å; H567-N574 WeakPolarHBondContact O-CB 3.41Å; H567-D616 IonicContact CD2-OD1 3.28Å; H567-D616 IonicContact CE1-OD1 3.06Å; H567-D616 IonicContact NE2-OD1 2.74Å; H567-D616 PolarHBondContact NE2-OD1 3.08Å
568	S	96.4	Very high	98.1	Very high	74 Å²	74	29.3 Å²	29.3	52%	0.517	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-6.3	179.5	66.4	0	0	0	0	115.6	K528 Y566	K528-S568 PolarHBondContact NZ-O 3.48Å; Y566-S568 PolarHBondContact O-N 3.01Å
569	S	96.5	Very high	98.1	Very high	101 Å²	101	29.1 Å²	29.1	71%	0.706	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-21.6	170.1	46.7	0	0	0	0	114.5	H567	H567-S569 PolarHBondContact O-N 3.44Å
570	N	98.3	Very high	98.1	Very high	16 Å²	16	29.1 Å²	29.1	9%	0.086	18%	0.179	C	C	.	.			trans	-67.7	144.2	174.9	-67.1	-0.4	0	0	0	109.3	H567 H573 N574 H617 G619 E763	H567-N570 WeakPolarHBondContact O-CB 3.44Å; H567-N570 PolarHBondContact O-N 3.4Å; N570-H573 WeakPolarHBondContact CB-O 3.46Å; N570-H573 PolarHBondContact ND2-O 3.11Å; N570-N574 HydrophobicContact CB-CB 4.39Å; N570-N574 PolarHBondContact O-ND2 2.88Å; N570-H617 PolarHBondContact ND2-O 2.85Å; N570-G619 PolarHBondContact ND2-N 3.42Å; N570-E763 WeakPolarHBondContact CB-OE2 3.46Å
571	S	98	Very high	98.3	Very high	42 Å²	42	25.4 Å²	25.4	29%	0.294	16%	0.162	S	C	.	.	S	Bend	trans	-75.5	-43	179.3	-61.5	0	0	0	0	110.4	N574 R759 E763	S571-N574 PolarHBondContact O-ND2 3.31Å; S571-R759 WeakPolarHBondContact CB-O 3.48Å; S571-R759 WeakPolarHBondContact O-CB 3.44Å; S571-R759 WeakPolarHBondContact O-CD 3.49Å; S571-R759 VanDerWaalsContact O-CG 3.29Å; S571-R759 WeakPolarHBondContact O-CG 3.41Å; S571-E763 PolarHBondContact N-OE2 3.42Å
572	Y	98.7	Very high	98.3	Very high	10 Å²	10	23.2 Å²	23.2	4%	0.039	15%	0.148	C	C	.	.	S	Bend	trans	-109.8	-64.1	-178	-176.3	-87.8	0	0	0	112.6	N574 H577 N745 W756 R759 I760 E763	Y572-N574 PolarHBondContact O-N 2.95Å; Y572-N574 PolarHBondContact O-ND2 3.31Å; Y572-H577 HydrophobicContact CE1-CB 4.49Å; Y572-H577 AromaticContact CE1-CD2 3.56Å; Y572-H577 AromaticContact CE1-CG 3.68Å; Y572-H577 AromaticContact CE1-ND1 3.74Å; Y572-H577 AromaticContact CZ-CE1 3.76Å; Y572-H577 AromaticContact CZ-CG 3.95Å; Y572-H577 AromaticContact CZ-ND1 3.56Å; Y572-H577 AromaticContact CZ-NE2 3.86Å; Y572-H577 VanDerWaalsContact O-CB 3.3Å; Y572-H577 WeakPolarHBondContact O-CB 3.4Å; Y572-H577 PolarHBondContact OH-CE1 3.01Å; Y572-H577 PolarHBondContact OH-ND1 3.5Å; Y572-H577 PolarHBondContact OH-NE2 3.25Å; Y572-N745 WeakPolarHBondContact CE2-ND2 3.13Å; Y572-N745 PolarHBondContact OH-ND2 3.04Å; Y572-W756 AromaticContact CD2-CE3 3.58Å; Y572-W756 HydrophobicContact CD2-CE3 3.58Å; Y572-W756 HydrophobicContact CD2-CZ3 4.05Å; Y572-W756 HydrophobicContact CE2-CD2 4.24Å; Y572-W756 AromaticContact CE2-CE3 3.61Å; Y572-W756 HydrophobicContact CE2-CE3 3.61Å; Y572-W756 HydrophobicContact CE2-CZ3 4.23Å; Y572-R759 HydrophobicContact CD2-CB 4.19Å; Y572-I760 HydrophobicContact CD1-CD1 3.77Å; Y572-I760 HydrophobicContact CD2-CB 3.68Å; Y572-I760 HydrophobicContact CD2-CD1 4.23Å; Y572-I760 HydrophobicContact CD2-CG1 4.43Å; Y572-I760 HydrophobicContact CE1-CD1 4.3Å; Y572-I760 HydrophobicContact CE2-CB 4.22Å; Y572-I760 HydrophobicContact CG-CB 3.99Å; Y572-I760 HydrophobicContact CG-CD1 3.73Å; Y572-I760 HydrophobicContact CG-CG1 4.39Å; Y572-E763 PolarHBondContact N-OE2 3.44Å
573	H	98.8	Very high	98.3	Very high	30 Å²	30	23.2 Å²	23.2	14%	0.139	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	72	-171.5	-57.5	98.7	0	0	0	111.5	N570 D614 H617 E763	N570-H573 WeakPolarHBondContact CB-O 3.46Å; N570-H573 PolarHBondContact ND2-O 3.11Å; H573-D614 IonicContact CD2-OD2 2.91Å; H573-D614 PolarHBondContact CD2-OD2 3.08Å; H573-D614 VanDerWaalsContact CD2-OD2 3.27Å; H573-H617 HydrophobicContact CB-CB 4Å; H573-H617 WeakPolarHBondContact CB-ND1 3.47Å; H573-H617 AromaticContact CE1-CE1 3.73Å; H573-H617 AromaticContact CG-CE1 3.48Å; H573-H617 VanDerWaalsContact CG-CE1 3.48Å; H573-H617 AromaticContact CG-CG 3.94Å; H573-H617 AromaticContact CG-ND1 3.34Å; H573-H617 VanDerWaalsContact CG-ND1 3.34Å; H573-H617 AromaticContact ND1-CE1 3.22Å; H573-H617 PolarHBondContact ND1-CE1 3.28Å; H573-H617 AromaticContact ND1-ND1 3.49Å; H573-H617 PolarHBondContact ND1-ND1 2.87Å; H573-E763 IonicContact CE1-OE1 3.5Å; H573-E763 IonicContact CG-OE1 3.66Å; H573-E763 IonicContact ND1-OE1 3.24Å; H573-E763 PolarHBondContact ND1-OE1 2.97Å
574	N	98.5	Very high	98.4	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.016	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.7	-180	178.9	62.6	53.6	0	0	0	110.1	H567 N570 S571 Y572 T576 H577 A578	H567-N574 WeakPolarHBondContact O-CB 3.41Å; N570-N574 HydrophobicContact CB-CB 4.39Å; N570-N574 PolarHBondContact O-ND2 2.88Å; S571-N574 PolarHBondContact O-ND2 3.31Å; Y572-N574 PolarHBondContact O-N 2.95Å; Y572-N574 PolarHBondContact O-ND2 3.31Å; N574-T576 PolarHBondContact O-N 2.8Å; N574-T576 VanDerWaalsContact OD1-CB 3.26Å; N574-T576 WeakPolarHBondContact OD1-CB 3.46Å; N574-T576 PolarHBondContact OD1-N 2.94Å; N574-T576 PolarHBondContact OD1-OG1 2.91Å; N574-H577 PolarHBondContact O-N 2.91Å; N574-A578 PolarHBondContact O-N 3.34Å
575	S	98.7	Very high	98.5	Very high	5 Å²	5	18.8 Å²	18.8	4%	0.035	11%	0.114	C	C	.	.	H	α-helix	trans	-62.1	-19.3	-174.1	58.8	0	0	0	0	114.3	A579	S575-A579 VanDerWaalsContact O-CB 3.27Å; S575-A579 WeakPolarHBondContact O-CB 3.31Å; S575-A579 PolarHBondContact O-N 3.03Å
576	T	98.9	Very high	98.5	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.006	10%	0.102	C	C	.	.	H	α-helix	trans	-72.8	-36.6	174.5	-50.3	0	0	0	0	111.7	I519 F520 E523 P530 N574 A579 D580 W756	I519-T576 HydrophobicContact CG1-CG2 3.9Å; F520-T576 HydrophobicContact CD1-CG2 4.07Å; F520-T576 HydrophobicContact CE1-CG2 4.06Å; E523-T576 HydrophobicContact CB-CG2 3.97Å; E523-T576 HydrophobicContact CG-CG2 4.23Å; E523-T576 WeakPolarHBondContact CG-OG1 3.48Å; E523-T576 WeakPolarHBondContact OE1-CB 3.29Å; E523-T576 PolarHBondContact OE1-OG1 3.06Å; P530-T576 HydrophobicContact CG-CG2 4.23Å; N574-T576 PolarHBondContact O-N 2.8Å; N574-T576 VanDerWaalsContact OD1-CB 3.26Å; N574-T576 WeakPolarHBondContact OD1-CB 3.46Å; N574-T576 PolarHBondContact OD1-N 2.94Å; N574-T576 PolarHBondContact OD1-OG1 2.91Å; T576-A579 PolarHBondContact O-N 3.03Å; T576-D580 PolarHBondContact O-N 3.27Å; T576-W756 HydrophobicContact CG2-CH2 3.93Å; T576-W756 HydrophobicContact CG2-CZ2 4.29Å
577	H	98.9	Very high	98.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-66.5	-50.6	173.7	172.8	48.7	0	0	0	110.4	Y572 N574 A579 D580 V581 D614 D742 W756	Y572-H577 HydrophobicContact CE1-CB 4.49Å; Y572-H577 AromaticContact CE1-CD2 3.56Å; Y572-H577 AromaticContact CE1-CG 3.68Å; Y572-H577 AromaticContact CE1-ND1 3.74Å; Y572-H577 AromaticContact CZ-CE1 3.76Å; Y572-H577 AromaticContact CZ-CG 3.95Å; Y572-H577 AromaticContact CZ-ND1 3.56Å; Y572-H577 AromaticContact CZ-NE2 3.86Å; Y572-H577 VanDerWaalsContact O-CB 3.3Å; Y572-H577 WeakPolarHBondContact O-CB 3.4Å; Y572-H577 PolarHBondContact OH-CE1 3.01Å; Y572-H577 PolarHBondContact OH-ND1 3.5Å; Y572-H577 PolarHBondContact OH-NE2 3.25Å; N574-H577 PolarHBondContact O-N 2.91Å; H577-A579 PolarHBondContact O-N 3.14Å; H577-A579 VanDerWaalsContact O-N 3.17Å; H577-D580 PolarHBondContact O-N 2.87Å; H577-V581 WeakPolarHBondContact NE2-CG2 3.22Å; H577-V581 WeakPolarHBondContact O-CG2 3.3Å; H577-V581 PolarHBondContact O-N 2.77Å; H577-D614 IonicContact CD2-OD2 2.76Å; H577-D614 PolarHBondContact CD2-OD2 3.33Å; H577-D742 VanDerWaalsContact NE2-C 3.33Å; H577-D742 PolarHBondContact NE2-O 3.44Å; H577-D742 IonicContact NE2-OD1 2.59Å; H577-W756 HydrophobicContact CB-CH2 3.96Å; H577-W756 HydrophobicContact CB-CZ3 4.1Å
578	A	98.8	Very high	98.5	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-56.4	-34.7	175.9	0	0	0	0	0	113.3	L531 Y566 N574 L582	L531-A578 HydrophobicContact CD1-CB 4.21Å; L531-A578 HydrophobicContact CD2-CB 4.15Å; Y566-A578 HydrophobicContact CD1-CB 4.47Å; Y566-A578 HydrophobicContact CE1-CB 3.72Å; Y566-A578 HydrophobicContact CE2-CB 3.94Å; Y566-A578 VanDerWaalsContact CZ-CB 3.41Å; Y566-A578 WeakPolarHBondContact OH-CB 3.41Å; N574-A578 PolarHBondContact O-N 3.34Å; A578-L582 VanDerWaalsContact O-CB 3.27Å; A578-L582 WeakPolarHBondContact O-CB 3.05Å; A578-L582 PolarHBondContact O-N 3Å
579	A	98.9	Very high	98.6	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-70.5	-35.8	174.5	0	0	0	0	0	112.8	I519 P530 L531 L534 S575 T576 H577 H583	I519-A579 HydrophobicContact CD1-CB 3.86Å; P530-A579 HydrophobicContact CB-CB 3.9Å; P530-A579 HydrophobicContact CG-CB 3.97Å; L531-A579 HydrophobicContact CB-CB 4.28Å; L531-A579 HydrophobicContact CD1-CB 4.16Å; L534-A579 HydrophobicContact CD2-CB 4.28Å; S575-A579 VanDerWaalsContact O-CB 3.27Å; S575-A579 WeakPolarHBondContact O-CB 3.31Å; S575-A579 PolarHBondContact O-N 3.03Å; T576-A579 PolarHBondContact O-N 3.03Å; H577-A579 PolarHBondContact O-N 3.14Å; H577-A579 VanDerWaalsContact O-N 3.17Å; A579-H583 WeakPolarHBondContact O-CB 3.36Å; A579-H583 PolarHBondContact O-N 2.75Å
580	D	98.9	Very high	98.6	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-71.5	-37.7	175.1	-157.2	60.6	0	0	0	112.5	I519 T576 H577 H583 A584 R748 W756	I519-D580 HydrophobicContact CG1-CB 4.11Å; I519-D580 HydrophobicContact CG2-CB 4.5Å; T576-D580 PolarHBondContact O-N 3.27Å; H577-D580 PolarHBondContact O-N 2.87Å; D580-H583 WeakPolarHBondContact O-CB 3.48Å; D580-H583 PolarHBondContact O-N 3.19Å; D580-A584 PolarHBondContact O-N 2.8Å; D580-R748 PolarHBondContact O-NH2 3.38Å; D580-R748 IonicContact OD1-CZ 2.74Å; D580-R748 IonicContact OD1-NE 3.98Å; D580-R748 PolarHBondContact OD1-NE 2.84Å; D580-R748 IonicContact OD1-NH2 2.72Å; D580-R748 PolarHBondContact OD1-NH2 2.9Å; D580-R748 VanDerWaalsContact OD1-NH2 3.09Å; D580-R748 IonicContact OD2-CZ 3.8Å; D580-R748 IonicContact OD2-NE 2.69Å; D580-R748 PolarHBondContact OD2-NE 2.85Å; D580-R748 IonicContact OD2-NH2 2.78Å; D580-R748 PolarHBondContact OD2-NH2 3.18Å; D580-W756 HydrophobicContact CB-CZ2 3.96Å
581	V	98.9	Very high	98.6	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-67.1	-39.4	173.9	179.5	0	0	0	0	111	H577 H583 A584 T585 A610 I738 A741	H577-V581 WeakPolarHBondContact NE2-CG2 3.22Å; H577-V581 WeakPolarHBondContact O-CG2 3.3Å; H577-V581 PolarHBondContact O-N 2.77Å; V581-H583 VanDerWaalsContact C-N 3.34Å; V581-A584 PolarHBondContact O-N 3Å; V581-T585 WeakPolarHBondContact O-CB 3.46Å; V581-T585 PolarHBondContact O-N 2.75Å; V581-T585 PolarHBondContact O-OG1 2.86Å; V581-A610 HydrophobicContact CG1-CB 4.1Å; V581-I738 HydrophobicContact CG1-CD1 3.95Å; V581-A741 HydrophobicContact CG1-CB 3.94Å
582	L	98.9	Very high	98.3	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-61.8	-41.3	171	178	60.6	0	0	0	111.8	L531 I538 F539 A578 A586 L607 A610	L531-L582 HydrophobicContact CD1-CD2 4.1Å; I538-L582 HydrophobicContact CD1-CD2 4.48Å; I538-L582 HydrophobicContact CD1-CG 4.06Å; I538-L582 HydrophobicContact CG2-CD1 4.34Å; F539-L582 HydrophobicContact CE2-CD1 4.01Å; F539-L582 HydrophobicContact CE2-CD2 4.15Å; A578-L582 VanDerWaalsContact O-CB 3.27Å; A578-L582 WeakPolarHBondContact O-CB 3.05Å; A578-L582 PolarHBondContact O-N 3Å; L582-A586 WeakPolarHBondContact O-CB 3.37Å; L582-A586 PolarHBondContact O-N 3.4Å; L582-L607 HydrophobicContact CD1-CB 4.16Å; L582-L607 HydrophobicContact CD1-CD2 3.68Å; L582-L607 WeakPolarHBondContact CD1-O 3.38Å; L582-A610 HydrophobicContact CB-CB 4.32Å; L582-A610 HydrophobicContact CD1-CB 4.28Å
583	H	98.8	Very high	97.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63.4	-49.2	174.8	171.4	-122.1	0	0	0	112.2	S514 F517 L534 A579 D580 V581 T585 A586 Y587 R748	S514-H583 PolarHBondContact O-CE1 3.01Å; S514-H583 VanDerWaalsContact O-CE1 3.27Å; S514-H583 PolarHBondContact O-NE2 3.05Å; S514-H583 VanDerWaalsContact O-NE2 3.07Å; F517-H583 WeakPolarHBondContact CB-CE1 3.48Å; F517-H583 AromaticContact CD1-ND1 3.89Å; F517-H583 AromaticContact CG-CE1 3.9Å; L534-H583 HydrophobicContact CD2-CB 4.18Å; A579-H583 WeakPolarHBondContact O-CB 3.36Å; A579-H583 PolarHBondContact O-N 2.75Å; D580-H583 WeakPolarHBondContact O-CB 3.48Å; D580-H583 PolarHBondContact O-N 3.19Å; V581-H583 VanDerWaalsContact C-N 3.34Å; H583-T585 VanDerWaalsContact C-N 3.33Å; H583-T585 PolarHBondContact O-N 3.27Å; H583-A586 PolarHBondContact O-N 3.05Å; H583-Y587 PolarHBondContact O-N 3.42Å; H583-R748 PolarHBondContact CE1-NH1 3.14Å; H583-R748 PolarHBondContact ND1-NH1 2.79Å; H583-R748 PolarHBondContact ND1-NH2 3.18Å
584	A	98.9	Very high	97.7	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.8	-41.8	176.5	0	0	0	0	0	112.2	W515 D580 V581 A586 Y587 F588 A741	W515-A584 HydrophobicContact CH2-CB 3.81Å; W515-A584 HydrophobicContact CZ3-CB 3.69Å; D580-A584 PolarHBondContact O-N 2.8Å; V581-A584 PolarHBondContact O-N 3Å; A584-A586 PolarHBondContact O-N 3.45Å; A584-Y587 PolarHBondContact O-N 3.39Å; A584-F588 HydrophobicContact CB-CE2 4.3Å; A584-F588 WeakPolarHBondContact O-CD2 3.42Å; A584-F588 WeakPolarHBondContact O-CG 3.47Å; A584-F588 PolarHBondContact O-N 3.22Å; A584-A741 HydrophobicContact CB-CB 3.69Å
585	T	98.9	Very high	97.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57	-49.3	173.5	-66.4	0	0	0	0	111	V581 H583 Y587 F588 L589 A606 L607 A610 L737 A741	V581-T585 WeakPolarHBondContact O-CB 3.46Å; V581-T585 PolarHBondContact O-N 2.75Å; V581-T585 PolarHBondContact O-OG1 2.86Å; H583-T585 VanDerWaalsContact C-N 3.33Å; H583-T585 PolarHBondContact O-N 3.27Å; T585-Y587 VanDerWaalsContact C-N 3.34Å; T585-Y587 PolarHBondContact O-N 2.92Å; T585-F588 PolarHBondContact O-N 2.88Å; T585-L589 HydrophobicContact CG2-CD1 3.99Å; T585-L589 HydrophobicContact CG2-CG 4.4Å; T585-L589 WeakPolarHBondContact O-CB 3.29Å; T585-L589 VanDerWaalsContact O-CG 3.27Å; T585-L589 WeakPolarHBondContact O-CG 3.43Å; T585-L589 PolarHBondContact O-N 3.07Å; T585-A606 HydrophobicContact CG2-CB 3.97Å; T585-L607 HydrophobicContact CG2-CD2 4.18Å; T585-A610 HydrophobicContact CG2-CB 4.11Å; T585-A610 WeakPolarHBondContact OG1-CB 3.42Å; T585-L737 HydrophobicContact CG2-CD2 3.81Å; T585-A741 WeakPolarHBondContact OG1-CB 3.36Å
586	A	98.8	Very high	97.1	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-66.3	-33	179.1	0	0	0	0	0	113.2	I538 F542 L582 H583 A584 S590 L607	I538-A586 HydrophobicContact CD1-CB 4Å; I538-A586 HydrophobicContact CG1-CB 4.39Å; I538-A586 HydrophobicContact CG2-CB 3.75Å; F542-A586 HydrophobicContact CE2-CB 3.97Å; L582-A586 WeakPolarHBondContact O-CB 3.37Å; L582-A586 PolarHBondContact O-N 3.4Å; H583-A586 PolarHBondContact O-N 3.05Å; A584-A586 PolarHBondContact O-N 3.45Å; A586-S590 WeakPolarHBondContact O-CB 3.21Å; A586-S590 PolarHBondContact O-N 2.97Å; A586-S590 VanDerWaalsContact O-N 3.09Å; A586-S590 PolarHBondContact O-OG 2.72Å; A586-L607 HydrophobicContact CB-CD2 4.03Å
587	Y	98.6	Very high	96.8	Very high	36 Å²	36	24.4 Å²	24.4	14%	0.141	11%	0.113	C	C	.	.	H	α-helix	trans	-67.1	-43.3	171.9	179.2	-93.5	0	0	0	111.8	W515 H583 A584 T585 S590 K591 L815 L818	W515-Y587 HydrophobicContact CB-CD2 4.29Å; W515-Y587 HydrophobicContact CB-CE1 4.45Å; W515-Y587 HydrophobicContact CB-CE2 3.91Å; W515-Y587 HydrophobicContact CD2-CD1 4.46Å; W515-Y587 AromaticContact CE3-CD1 3.47Å; W515-Y587 HydrophobicContact CE3-CD1 3.47Å; W515-Y587 VanDerWaalsContact CE3-CD1 3.47Å; W515-Y587 HydrophobicContact CE3-CD2 4.4Å; W515-Y587 AromaticContact CE3-CE1 3.91Å; W515-Y587 HydrophobicContact CE3-CE1 3.91Å; W515-Y587 AromaticContact CE3-CG 3.75Å; W515-Y587 HydrophobicContact CE3-CG 3.75Å; W515-Y587 AromaticContact CZ3-CD1 3.95Å; W515-Y587 HydrophobicContact CZ3-CD1 3.95Å; W515-Y587 HydrophobicContact CZ3-CG 4.38Å; H583-Y587 PolarHBondContact O-N 3.42Å; A584-Y587 PolarHBondContact O-N 3.39Å; T585-Y587 VanDerWaalsContact C-N 3.34Å; T585-Y587 PolarHBondContact O-N 2.92Å; Y587-S590 WeakPolarHBondContact O-CB 3.21Å; Y587-S590 PolarHBondContact O-N 3.07Å; Y587-S590 VanDerWaalsContact O-N 3.11Å; Y587-K591 VanDerWaalsContact CZ-CE 3.49Å; Y587-K591 WeakPolarHBondContact OH-CE 3.21Å; Y587-K591 PolarHBondContact OH-NZ 3.04Å; Y587-K591 VanDerWaalsContact OH-NZ 3.14Å; Y587-L815 HydrophobicContact CE1-CD2 4.24Å; Y587-L818 HydrophobicContact CE1-CD1 3.81Å
588	F	98.6	Very high	96.6	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-68	-43.8	176.2	-64.4	-38.6	0	0	0	112.6	W515 A584 T585 S590 K591 V594 L737 C740 A741 F806 W809 L815 L818	W515-F588 HydrophobicContact CH2-CZ 4.12Å; W515-F588 HydrophobicContact CZ3-CE1 4.26Å; W515-F588 HydrophobicContact CZ3-CZ 4.06Å; A584-F588 HydrophobicContact CB-CE2 4.3Å; A584-F588 WeakPolarHBondContact O-CD2 3.42Å; A584-F588 WeakPolarHBondContact O-CG 3.47Å; A584-F588 PolarHBondContact O-N 3.22Å; T585-F588 PolarHBondContact O-N 2.88Å; F588-S590 PolarHBondContact O-N 2.98Å; F588-S590 VanDerWaalsContact O-N 3.12Å; F588-K591 WeakPolarHBondContact O-CB 3.34Å; F588-K591 PolarHBondContact O-N 2.89Å; F588-V594 WeakPolarHBondContact O-CB 3.35Å; F588-V594 WeakPolarHBondContact O-CG2 3.4Å; F588-L737 HydrophobicContact CB-CD1 3.9Å; F588-L737 HydrophobicContact CB-CD2 4.32Å; F588-L737 HydrophobicContact CB-CG 3.81Å; F588-L737 HydrophobicContact CD2-CG 4.25Å; F588-L737 HydrophobicContact CG-CG 4.47Å; F588-C740 HydrophobicContact CE2-CB 3.89Å; F588-C740 HydrophobicContact CZ-CB 4.29Å; F588-A741 HydrophobicContact CD2-CB 4.24Å; F588-A741 HydrophobicContact CE2-CB 4.09Å; F588-F806 HydrophobicContact CZ-CE1 4.36Å; F588-W809 HydrophobicContact CB-CZ2 4.18Å; F588-W809 AromaticContact CD1-NE1 3.44Å; F588-W809 AromaticContact CD2-NE1 3.73Å; F588-W809 AromaticContact CE1-CD1 3.95Å; F588-W809 AromaticContact CE1-NE1 3.48Å; F588-W809 AromaticContact CE2-NE1 3.75Å; F588-W809 HydrophobicContact CG-CZ2 4.26Å; F588-W809 AromaticContact CG-NE1 3.59Å; F588-W809 AromaticContact CZ-CD1 3.99Å; F588-W809 AromaticContact CZ-NE1 3.64Å; F588-L815 HydrophobicContact CD1-CD1 4.37Å; F588-L815 HydrophobicContact CD1-CD2 4.07Å; F588-L815 HydrophobicContact CE1-CD1 3.84Å; F588-L815 HydrophobicContact CE1-CD2 4Å; F588-L818 HydrophobicContact CE1-CD2 3.68Å; F588-L818 HydrophobicContact CZ-CD2 3.88Å
589	L	98.4	Very high	96.4	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-58.4	-22	170.2	-68	174.4	0	0	0	112.3	F542 T585 K591 V594 K595 L598 E603 A606 L607 L737	F542-L589 HydrophobicContact CE1-CB 3.79Å; F542-L589 HydrophobicContact CE1-CD1 4.24Å; F542-L589 HydrophobicContact CZ-CB 3.79Å; F542-L589 HydrophobicContact CZ-CD1 4.47Å; T585-L589 HydrophobicContact CG2-CD1 3.99Å; T585-L589 HydrophobicContact CG2-CG 4.4Å; T585-L589 WeakPolarHBondContact O-CB 3.29Å; T585-L589 VanDerWaalsContact O-CG 3.27Å; T585-L589 WeakPolarHBondContact O-CG 3.43Å; T585-L589 PolarHBondContact O-N 3.07Å; L589-K591 VanDerWaalsContact C-N 3.34Å; L589-V594 HydrophobicContact CD2-CG1 4.15Å; L589-K595 VanDerWaalsContact O-CE 3.23Å; L589-K595 WeakPolarHBondContact O-CE 3.42Å; L589-K595 VanDerWaalsContact O-CG 3.22Å; L589-K595 WeakPolarHBondContact O-CG 3.38Å; L589-L598 HydrophobicContact CD2-CD1 3.85Å; L589-E603 HydrophobicContact CD1-CB 4.29Å; L589-E603 HydrophobicContact CD2-CB 4.34Å; L589-E603 HydrophobicContact CD2-CG 4.2Å; L589-A606 HydrophobicContact CD1-CB 4.08Å; L589-A606 HydrophobicContact CD2-CB 4.23Å; L589-L607 HydrophobicContact CD1-CD1 4.44Å; L589-L607 HydrophobicContact CD1-CD2 3.83Å; L589-L607 HydrophobicContact CD1-CG 3.78Å; L589-L737 HydrophobicContact CD2-CD1 3.84Å; L589-L737 HydrophobicContact CG-CD1 4.25Å
590	S	97	Very high	96.3	Very high	45 Å²	45	32 Å²	32	32%	0.315	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-16.3	176	-64.9	0	0	0	0	114.2	A586 Y587 F588 K595	A586-S590 WeakPolarHBondContact O-CB 3.21Å; A586-S590 PolarHBondContact O-N 2.97Å; A586-S590 VanDerWaalsContact O-N 3.09Å; A586-S590 PolarHBondContact O-OG 2.72Å; Y587-S590 WeakPolarHBondContact O-CB 3.21Å; Y587-S590 PolarHBondContact O-N 3.07Å; Y587-S590 VanDerWaalsContact O-N 3.11Å; F588-S590 PolarHBondContact O-N 2.98Å; F588-S590 VanDerWaalsContact O-N 3.12Å; S590-K595 WeakPolarHBondContact O-CE 3.44Å; S590-K595 PolarHBondContact O-NZ 2.92Å
591	K	96.9	Very high	96.2	Very high	41 Å²	41	33.6 Å²	33.6	18%	0.178	17%	0.166	C	C	.	.	S	Bend	trans	-73.9	144.6	-177.6	-65.4	-71.5	-179.8	156.1	0	112.8	Y587 F588 L589 R593 V594 K595 A813 D814 L815	Y587-K591 VanDerWaalsContact CZ-CE 3.49Å; Y587-K591 WeakPolarHBondContact OH-CE 3.21Å; Y587-K591 PolarHBondContact OH-NZ 3.04Å; Y587-K591 VanDerWaalsContact OH-NZ 3.14Å; F588-K591 WeakPolarHBondContact O-CB 3.34Å; F588-K591 PolarHBondContact O-N 2.89Å; L589-K591 VanDerWaalsContact C-N 3.34Å; K591-R593 PolarHBondContact O-N 2.75Å; K591-V594 HydrophobicContact CB-CB 4.44Å; K591-V594 HydrophobicContact CB-CG2 4.13Å; K591-V594 PolarHBondContact O-N 3.04Å; K591-K595 PolarHBondContact O-N 3.45Å; K591-A813 WeakPolarHBondContact CD-O 3.43Å; K591-D814 PolarHBondContact NZ-O 2.84Å; K591-L815 HydrophobicContact CD-CD2 4.16Å; K591-L815 VanDerWaalsContact CE-CD2 3.49Å; K591-L815 HydrophobicContact CG-CD2 4.19Å
592	E	92.7	Very high	96.1	Very high	143 Å²	143	34 Å²	34	67%	0.668	17%	0.168	S	C	*	.	H	α-helix	trans	-60.6	-49.7	-173	178.9	164.8	-163.3	0	0	113.2	V594 K595 Q596	E592-V594 VanDerWaalsContact C-N 3.26Å; E592-V594 PolarHBondContact O-N 3.1Å; E592-K595 PolarHBondContact O-N 3.43Å; E592-Q596 HydrophobicContact CG-CG 4.4Å; E592-Q596 VanDerWaalsContact CG-NE2 3.32Å; E592-Q596 VanDerWaalsContact O-CG 3.29Å; E592-Q596 WeakPolarHBondContact O-CG 3.35Å; E592-Q596 PolarHBondContact O-N 2.8Å; E592-Q596 PolarHBondContact OE1-NE2 2.97Å
593	R	91	Very high	96.1	Very high	60 Å²	60	35.7 Å²	35.7	23%	0.226	18%	0.176	C	C	.	.	H	α-helix	trans	-60.9	-35.6	178.9	-165	76.5	82.8	169.4	15.1	112.5	K591 Q596 S597 E709 F812	K591-R593 PolarHBondContact O-N 2.75Å; R593-Q596 PolarHBondContact O-N 3.39Å; R593-S597 WeakPolarHBondContact O-CB 3.29Å; R593-S597 PolarHBondContact O-N 2.97Å; R593-S597 PolarHBondContact O-OG 3.32Å; R593-E709 IonicContact CZ-OE1 2.77Å; R593-E709 IonicContact NH1-OE1 3.23Å; R593-E709 IonicContact NH2-OE1 2.68Å; R593-E709 PolarHBondContact NH2-OE1 2.82Å; R593-F812 WeakPolarHBondContact CB-O 3.48Å; R593-F812 HydrophobicContact CG-CD2 4.02Å; R593-F812 HydrophobicContact CG-CE1 4.17Å; R593-F812 HydrophobicContact CG-CE2 3.64Å; R593-F812 HydrophobicContact CG-CG 4.44Å; R593-F812 HydrophobicContact CG-CZ 3.73Å; R593-F812 WeakPolarHBondContact CG-O 3.49Å
594	V	94.8	Very high	96.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-67.9	-48.2	178	-178.9	0	0	0	0	110.3	F588 L589 K591 E592 Q596 S597 L598 L737 W809 F812 A813	F588-V594 WeakPolarHBondContact O-CB 3.35Å; F588-V594 WeakPolarHBondContact O-CG2 3.4Å; L589-V594 HydrophobicContact CD2-CG1 4.15Å; K591-V594 HydrophobicContact CB-CB 4.44Å; K591-V594 HydrophobicContact CB-CG2 4.13Å; K591-V594 PolarHBondContact O-N 3.04Å; E592-V594 VanDerWaalsContact C-N 3.26Å; E592-V594 PolarHBondContact O-N 3.1Å; V594-Q596 VanDerWaalsContact C-N 3.28Å; V594-Q596 PolarHBondContact O-N 2.8Å; V594-S597 PolarHBondContact O-N 2.64Å; V594-L598 HydrophobicContact CG1-CD1 3.75Å; V594-L598 HydrophobicContact CG1-CG 4.31Å; V594-L598 PolarHBondContact O-N 2.81Å; V594-L598 VanDerWaalsContact O-N 3.1Å; V594-L737 HydrophobicContact CG1-CD1 3.68Å; V594-W809 HydrophobicContact CG2-CH2 4.09Å; V594-W809 HydrophobicContact CG2-CZ2 4.18Å; V594-F812 HydrophobicContact CG2-CE1 4.15Å; V594-A813 HydrophobicContact CG2-CB 4.35Å
595	K	92.5	Very high	96.1	Very high	107 Å²	107	35.9 Å²	35.9	47%	0.465	18%	0.177	S	C	.	.	H	α-helix	trans	-60.5	-31.9	174.2	-74	175.1	168.8	154.2	0	114	L589 S590 K591 E592 S597	L589-K595 VanDerWaalsContact O-CE 3.23Å; L589-K595 WeakPolarHBondContact O-CE 3.42Å; L589-K595 VanDerWaalsContact O-CG 3.22Å; L589-K595 WeakPolarHBondContact O-CG 3.38Å; S590-K595 WeakPolarHBondContact O-CE 3.44Å; S590-K595 PolarHBondContact O-NZ 2.92Å; K591-K595 PolarHBondContact O-N 3.45Å; E592-K595 PolarHBondContact O-N 3.43Å; K595-S597 VanDerWaalsContact C-N 3.26Å
596	Q	90.9	Very high	96.1	Very high	80 Å²	80	35.9 Å²	35.9	37%	0.374	18%	0.177	S	C	.	.	H	α-helix	trans	-73.9	-17.4	174.6	-71.5	173.7	1.7	0	0	113.1	E592 R593 V594	E592-Q596 HydrophobicContact CG-CG 4.4Å; E592-Q596 VanDerWaalsContact CG-NE2 3.32Å; E592-Q596 VanDerWaalsContact O-CG 3.29Å; E592-Q596 WeakPolarHBondContact O-CG 3.35Å; E592-Q596 PolarHBondContact O-N 2.8Å; E592-Q596 PolarHBondContact OE1-NE2 2.97Å; R593-Q596 PolarHBondContact O-N 3.39Å; V594-Q596 VanDerWaalsContact C-N 3.28Å; V594-Q596 PolarHBondContact O-N 2.8Å
597	S	91.9	Very high	96.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-101.9	-32.8	-173.7	-55.1	0	0	0	0	113.9	R593 V594 K595 R730	R593-S597 WeakPolarHBondContact O-CB 3.29Å; R593-S597 PolarHBondContact O-N 2.97Å; R593-S597 PolarHBondContact O-OG 3.32Å; V594-S597 PolarHBondContact O-N 2.64Å; K595-S597 VanDerWaalsContact C-N 3.26Å; S597-R730 WeakPolarHBondContact O-CD 3.28Å; S597-R730 WeakPolarHBondContact O-CG 3.33Å
598	L	95.4	Very high	96.1	Very high	13 Å²	13	34.3 Å²	34.3	7%	0.068	17%	0.171	C	C	.	.			trans	-105.5	146.5	-168.4	-63.4	-173.2	0	0	0	113.4	L589 V594 D602 R730 V733 K734 L737	L589-L598 HydrophobicContact CD2-CD1 3.85Å; V594-L598 HydrophobicContact CG1-CD1 3.75Å; V594-L598 HydrophobicContact CG1-CG 4.31Å; V594-L598 PolarHBondContact O-N 2.81Å; V594-L598 VanDerWaalsContact O-N 3.1Å; L598-D602 HydrophobicContact CB-CB 3.93Å; L598-D602 HydrophobicContact CD1-CB 4.44Å; L598-D602 HydrophobicContact CD2-CB 4.12Å; L598-D602 HydrophobicContact CG-CB 4.38Å; L598-R730 HydrophobicContact CD2-CB 4.12Å; L598-R730 HydrophobicContact CD2-CG 4.34Å; L598-V733 HydrophobicContact CD1-CG1 4.41Å; L598-V733 HydrophobicContact CD2-CB 4.3Å; L598-V733 HydrophobicContact CD2-CG1 3.99Å; L598-V733 HydrophobicContact CG-CG1 4.28Å; L598-K734 HydrophobicContact CD1-CG 4.37Å; L598-K734 HydrophobicContact CD2-CG 4.1Å; L598-L737 HydrophobicContact CD1-CD1 4.48Å
599	D	94.8	Very high	96.1	Very high	64 Å²	64	34.3 Å²	34.3	34%	0.342	17%	0.171	S	C	.	.			trans	-81.1	160.5	169.9	-72.8	-13.7	0	0	0	110.9	I601 D602 E603 R730	D599-I601 HydrophobicContact CB-CG2 3.9Å; D599-I601 PolarHBondContact O-N 3.42Å; D599-I601 VanDerWaalsContact O-N 3.12Å; D599-D602 PolarHBondContact N-OD2 2.91Å; D599-D602 WeakPolarHBondContact O-CA 3.34Å; D599-D602 VanDerWaalsContact O-CB 3.26Å; D599-D602 WeakPolarHBondContact O-CB 3.44Å; D599-D602 PolarHBondContact O-N 3.3Å; D599-E603 PolarHBondContact O-N 3.08Å; D599-E603 VanDerWaalsContact O-N 3.16Å; D599-R730 IonicContact OD1-CZ 3.17Å; D599-R730 IonicContact OD1-NH1 2.7Å; D599-R730 PolarHBondContact OD1-NH1 3.49Å; D599-R730 IonicContact OD2-CZ 3.71Å; D599-R730 IonicContact OD2-NH1 3.49Å; D599-R730 PolarHBondContact OD2-NH1 2.92Å; D599-R730 IonicContact OD2-NH2 3.58Å; D599-R730 PolarHBondContact OD2-NH2 2.69Å
600	P	96.1	Very high	96.1	Very high	81 Å²	81	34.3 Å²	34.3	53%	0.526	17%	0.171	S	C	.	.	H	α-helix	trans	-55.1	-31.8	173.9	-28.2	36.2	0	0	0	114.4	F547 D602 E603 V604	F547-P600 HydrophobicContact CD2-CB 4.37Å; F547-P600 HydrophobicContact CE2-CB 4.32Å; P600-D602 VanDerWaalsContact C-N 3.27Å; P600-D602 PolarHBondContact O-N 3.29Å; P600-E603 PolarHBondContact O-N 3.47Å; P600-V604 WeakPolarHBondContact O-CG2 3.19Å; P600-V604 PolarHBondContact O-N 3.11Å
601	I	96.5	Very high	96.2	Very high	34 Å²	34	32.1 Å²	32.1	17%	0.174	16%	0.156	C	C	.	.	H	α-helix	trans	-67	-28	173.8	-165.8	169.7	0	0	0	112.7	F547 D599 A605 L674	F547-I601 HydrophobicContact CE1-CB 4.41Å; F547-I601 HydrophobicContact CE1-CG1 4.19Å; F547-I601 HydrophobicContact CE2-CB 4.33Å; F547-I601 HydrophobicContact CZ-CB 3.67Å; F547-I601 HydrophobicContact CZ-CD1 4.31Å; F547-I601 HydrophobicContact CZ-CG1 3.81Å; D599-I601 HydrophobicContact CB-CG2 3.9Å; D599-I601 PolarHBondContact O-N 3.42Å; D599-I601 VanDerWaalsContact O-N 3.12Å; I601-A605 VanDerWaalsContact O-CB 3.28Å; I601-A605 WeakPolarHBondContact O-CB 3.49Å; I601-A605 PolarHBondContact O-N 3.26Å; I601-L674 HydrophobicContact CD1-CB 4.27Å; I601-L674 HydrophobicContact CG1-CB 4.25Å; I601-L674 HydrophobicContact CG1-CD1 4.24Å
602	D	97.9	Very high	96.3	Very high	8 Å²	8	30.3 Å²	30.3	4%	0.043	15%	0.148	C	C	.	.	H	α-helix	trans	-77.5	-37.5	176	-67.7	-37.3	0	0	0	111.2	L598 D599 P600 A605 A606 R730 K734	L598-D602 HydrophobicContact CB-CB 3.93Å; L598-D602 HydrophobicContact CD1-CB 4.44Å; L598-D602 HydrophobicContact CD2-CB 4.12Å; L598-D602 HydrophobicContact CG-CB 4.38Å; D599-D602 PolarHBondContact N-OD2 2.91Å; D599-D602 WeakPolarHBondContact O-CA 3.34Å; D599-D602 VanDerWaalsContact O-CB 3.26Å; D599-D602 WeakPolarHBondContact O-CB 3.44Å; D599-D602 PolarHBondContact O-N 3.3Å; P600-D602 VanDerWaalsContact C-N 3.27Å; P600-D602 PolarHBondContact O-N 3.29Å; D602-A605 PolarHBondContact O-N 3.16Å; D602-A606 WeakPolarHBondContact O-CB 3.37Å; D602-A606 PolarHBondContact O-N 2.95Å; D602-R730 IonicContact OD2-CZ 3.87Å; D602-R730 IonicContact OD2-NE 2.64Å; D602-K734 HydrophobicContact CB-CD 3.87Å; D602-K734 HydrophobicContact CB-CG 4.45Å; D602-K734 WeakPolarHBondContact OD1-CE 3.33Å; D602-K734 IonicContact OD1-NZ 3.53Å; D602-K734 PolarHBondContact OD1-NZ 3.17Å
603	E	98.4	Very high	96.6	Very high	37 Å²	37	23.5 Å²	23.5	17%	0.173	12%	0.116	C	C	.	.	H	α-helix	trans	-61.9	-48	171.7	-55	-164.4	140.1	0	0	111	L589 D599 P600 A605 A606 L607	L589-E603 HydrophobicContact CD1-CB 4.29Å; L589-E603 HydrophobicContact CD2-CB 4.34Å; L589-E603 HydrophobicContact CD2-CG 4.2Å; D599-E603 PolarHBondContact O-N 3.08Å; D599-E603 VanDerWaalsContact O-N 3.16Å; P600-E603 PolarHBondContact O-N 3.47Å; E603-A605 VanDerWaalsContact C-N 3.34Å; E603-A605 PolarHBondContact O-N 3.27Å; E603-A606 PolarHBondContact O-N 2.95Å; E603-L607 WeakPolarHBondContact O-CG 3.46Å; E603-L607 PolarHBondContact O-N 3.32Å
604	V	98.6	Very high	97	Very high	4 Å²	4	21.3 Å²	21.3	2%	0.024	11%	0.109	C	C	.	.	H	α-helix	trans	-63.1	-39.1	176.3	173.3	0	0	0	0	111.5	V544 F547 L548 P600 I608 L674	V544-V604 HydrophobicContact CG1-CG1 3.93Å; V544-V604 HydrophobicContact CG1-CG2 4.3Å; V544-V604 HydrophobicContact CG2-CG2 4.26Å; F547-V604 HydrophobicContact CB-CG2 4.18Å; F547-V604 HydrophobicContact CD1-CB 4.18Å; F547-V604 HydrophobicContact CD1-CG1 4.04Å; F547-V604 HydrophobicContact CD1-CG2 3.77Å; F547-V604 HydrophobicContact CE1-CB 4.41Å; F547-V604 HydrophobicContact CE1-CG1 4.37Å; F547-V604 HydrophobicContact CE1-CG2 4.38Å; F547-V604 HydrophobicContact CG-CG2 3.92Å; L548-V604 HydrophobicContact CD2-CG1 4.13Å; L548-V604 HydrophobicContact CG-CG1 4.34Å; P600-V604 WeakPolarHBondContact O-CG2 3.19Å; P600-V604 PolarHBondContact O-N 3.11Å; V604-I608 HydrophobicContact CG1-CD1 3.76Å; V604-I608 WeakPolarHBondContact O-CB 3.49Å; V604-I608 VanDerWaalsContact O-CG1 3.25Å; V604-I608 WeakPolarHBondContact O-CG1 3.49Å; V604-I608 PolarHBondContact O-N 3.06Å; V604-I608 VanDerWaalsContact O-N 3.14Å; V604-L674 HydrophobicContact CB-CD1 4.44Å; V604-L674 HydrophobicContact CG1-CD1 3.99Å; V604-L674 HydrophobicContact CG1-CD2 4.34Å
605	A	98.7	Very high	97.1	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-61.1	-43.8	173.6	0	0	0	0	0	111.9	I601 D602 E603 I608 A609 L674 A677 V678 M681	I601-A605 VanDerWaalsContact O-CB 3.28Å; I601-A605 WeakPolarHBondContact O-CB 3.49Å; I601-A605 PolarHBondContact O-N 3.26Å; D602-A605 PolarHBondContact O-N 3.16Å; E603-A605 VanDerWaalsContact C-N 3.34Å; E603-A605 PolarHBondContact O-N 3.27Å; A605-I608 PolarHBondContact O-N 3.43Å; A605-A609 VanDerWaalsContact O-CB 3.28Å; A605-A609 WeakPolarHBondContact O-CB 2.87Å; A605-A609 PolarHBondContact O-N 3.35Å; A605-L674 HydrophobicContact CB-CD1 3.8Å; A605-A677 HydrophobicContact CB-CB 3.62Å; A605-V678 HydrophobicContact CB-CG2 4.19Å; A605-M681 HydrophobicContact CB-SD 4.45Å
606	A	98.9	Very high	97.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-66.1	-46.6	-178.2	0	0	0	0	0	112.6	T585 L589 D602 E603 I608 A609 A610 M681	T585-A606 HydrophobicContact CG2-CB 3.97Å; L589-A606 HydrophobicContact CD1-CB 4.08Å; L589-A606 HydrophobicContact CD2-CB 4.23Å; D602-A606 WeakPolarHBondContact O-CB 3.37Å; D602-A606 PolarHBondContact O-N 2.95Å; E603-A606 PolarHBondContact O-N 2.95Å; A606-I608 VanDerWaalsContact C-N 3.34Å; A606-I608 PolarHBondContact O-N 2.76Å; A606-A609 PolarHBondContact O-N 2.82Å; A606-A610 WeakPolarHBondContact O-CB 3.3Å; A606-A610 PolarHBondContact O-N 2.63Å; A606-M681 HydrophobicContact CB-CE 3.6Å; A606-M681 HydrophobicContact CB-SD 4.13Å
607	L	98.9	Very high	97.8	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.3	-40.5	177	-65.9	173.3	0	0	0	112	I538 F539 F542 V544 L582 T585 A586 L589 E603 T611	I538-L607 HydrophobicContact CG2-CD1 4.37Å; I538-L607 HydrophobicContact CG2-CD2 3.65Å; F539-L607 HydrophobicContact CE2-CB 4.04Å; F539-L607 HydrophobicContact CZ-CB 4.18Å; F542-L607 HydrophobicContact CB-CD1 3.59Å; F542-L607 HydrophobicContact CD1-CD1 4.14Å; F542-L607 HydrophobicContact CD2-CD1 3.98Å; F542-L607 HydrophobicContact CG-CD1 3.65Å; V544-L607 HydrophobicContact CG2-CD1 3.88Å; L582-L607 HydrophobicContact CD1-CB 4.16Å; L582-L607 HydrophobicContact CD1-CD2 3.68Å; L582-L607 WeakPolarHBondContact CD1-O 3.38Å; T585-L607 HydrophobicContact CG2-CD2 4.18Å; A586-L607 HydrophobicContact CB-CD2 4.03Å; L589-L607 HydrophobicContact CD1-CD1 4.44Å; L589-L607 HydrophobicContact CD1-CD2 3.83Å; L589-L607 HydrophobicContact CD1-CG 3.78Å; E603-L607 WeakPolarHBondContact O-CG 3.46Å; E603-L607 PolarHBondContact O-N 3.32Å; L607-T611 WeakPolarHBondContact O-CB 3.41Å; L607-T611 PolarHBondContact O-N 2.99Å; L607-T611 VanDerWaalsContact O-N 3.13Å; L607-T611 PolarHBondContact O-OG1 3.13Å
608	I	98.9	Very high	98.1	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-67.9	-44.6	176	-68	172	0	0	0	110.9	F539 L548 W558 V604 A605 A606 T611 V612 I662 F663 L674 V678	F539-I608 HydrophobicContact CE1-CG1 4.01Å; F539-I608 HydrophobicContact CZ-CG1 4.17Å; L548-I608 HydrophobicContact CD1-CD1 4.24Å; W558-I608 HydrophobicContact CH2-CG1 4.35Å; W558-I608 HydrophobicContact CH2-CG2 4.13Å; W558-I608 HydrophobicContact CZ2-CG2 4.17Å; V604-I608 HydrophobicContact CG1-CD1 3.76Å; V604-I608 WeakPolarHBondContact O-CB 3.49Å; V604-I608 VanDerWaalsContact O-CG1 3.25Å; V604-I608 WeakPolarHBondContact O-CG1 3.49Å; V604-I608 PolarHBondContact O-N 3.06Å; V604-I608 VanDerWaalsContact O-N 3.14Å; A605-I608 PolarHBondContact O-N 3.43Å; A606-I608 VanDerWaalsContact C-N 3.34Å; A606-I608 PolarHBondContact O-N 2.76Å; I608-T611 WeakPolarHBondContact O-CB 3.38Å; I608-T611 PolarHBondContact O-N 3.46Å; I608-V612 WeakPolarHBondContact O-CG2 3.47Å; I608-V612 PolarHBondContact O-N 3.01Å; I608-I662 HydrophobicContact CD1-CD1 4.11Å; I608-F663 HydrophobicContact CD1-CE1 3.8Å; I608-F663 HydrophobicContact CD1-CZ 4.03Å; I608-F663 HydrophobicContact CG2-CZ 4.36Å; I608-L674 HydrophobicContact CD1-CD2 4.5Å; I608-V678 HydrophobicContact CB-CG2 4.06Å; I608-V678 HydrophobicContact CG2-CG1 4.05Å; I608-V678 HydrophobicContact CG2-CG2 3.82Å
609	A	98.9	Very high	98.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-58.3	-51.5	177.5	0	0	0	0	0	111.4	A605 A606 T611 V612 H613 V678 M681 V682	A605-A609 VanDerWaalsContact O-CB 3.28Å; A605-A609 WeakPolarHBondContact O-CB 2.87Å; A605-A609 PolarHBondContact O-N 3.35Å; A606-A609 PolarHBondContact O-N 2.82Å; A609-T611 VanDerWaalsContact C-N 3.26Å; A609-T611 PolarHBondContact O-N 2.85Å; A609-V612 PolarHBondContact O-N 3.33Å; A609-H613 WeakPolarHBondContact O-CB 3.49Å; A609-H613 PolarHBondContact O-N 3.46Å; A609-V678 HydrophobicContact CB-CG1 4.43Å; A609-M681 HydrophobicContact CB-CB 3.71Å; A609-M681 HydrophobicContact CB-CE 4.34Å; A609-M681 HydrophobicContact CB-SD 4.32Å; A609-V682 HydrophobicContact CB-CG2 4.18Å
610	A	98.9	Very high	98.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-56.9	-38.3	176.7	0	0	0	0	0	112.9	V581 L582 T585 A606 V612 H613 I738	V581-A610 HydrophobicContact CG1-CB 4.1Å; L582-A610 HydrophobicContact CB-CB 4.32Å; L582-A610 HydrophobicContact CD1-CB 4.28Å; T585-A610 HydrophobicContact CG2-CB 4.11Å; T585-A610 WeakPolarHBondContact OG1-CB 3.42Å; A606-A610 WeakPolarHBondContact O-CB 3.3Å; A606-A610 PolarHBondContact O-N 2.63Å; A610-V612 VanDerWaalsContact C-N 3.28Å; A610-V612 PolarHBondContact O-N 3.42Å; A610-H613 PolarHBondContact O-CE1 2.92Å; A610-H613 PolarHBondContact O-ND1 2.72Å; A610-I738 HydrophobicContact CB-CD1 3.85Å
611	T	98.9	Very high	98.2	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-64.9	-28.5	177.5	-58.3	0	0	0	0	113.1	L531 W558 L559 I562 Y566 L607 I608 A609	L531-T611 HydrophobicContact CD1-CG2 4.2Å; L531-T611 HydrophobicContact CD2-CG2 4.3Å; L531-T611 HydrophobicContact CG-CG2 4.4Å; W558-T611 HydrophobicContact CH2-CG2 3.65Å; W558-T611 HydrophobicContact CZ3-CG2 3.72Å; L559-T611 HydrophobicContact CD2-CG2 3.82Å; I562-T611 HydrophobicContact CG2-CG2 4.17Å; Y566-T611 PolarHBondContact OH-O 2.86Å; L607-T611 WeakPolarHBondContact O-CB 3.41Å; L607-T611 PolarHBondContact O-N 2.99Å; L607-T611 VanDerWaalsContact O-N 3.13Å; L607-T611 PolarHBondContact O-OG1 3.13Å; I608-T611 WeakPolarHBondContact O-CB 3.38Å; I608-T611 PolarHBondContact O-N 3.46Å; A609-T611 VanDerWaalsContact C-N 3.26Å; A609-T611 PolarHBondContact O-N 2.85Å
612	V	98.8	Very high	98	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.012	7%	0.065	C	C	.	.	H	α-helix	trans	-120.6	-2.1	-169.5	-49.3	0	0	0	0	115.7	W558 I562 I608 A609 A610 D614 I615 A650 V678 V682	W558-V612 HydrophobicContact CH2-CG1 3.96Å; W558-V612 HydrophobicContact CZ2-CG1 3.69Å; I562-V612 HydrophobicContact CD1-CG1 3.92Å; I562-V612 HydrophobicContact CG1-CG1 4.28Å; I562-V612 HydrophobicContact CG2-CG1 4.14Å; I608-V612 WeakPolarHBondContact O-CG2 3.47Å; I608-V612 PolarHBondContact O-N 3.01Å; A609-V612 PolarHBondContact O-N 3.33Å; A610-V612 VanDerWaalsContact C-N 3.28Å; A610-V612 PolarHBondContact O-N 3.42Å; V612-D614 PolarHBondContact O-N 3.02Å; V612-I615 VanDerWaalsContact O-CG2 3.29Å; V612-I615 WeakPolarHBondContact O-CG2 3.12Å; V612-I615 PolarHBondContact O-N 3.06Å; V612-A650 HydrophobicContact CB-CB 3.7Å; V612-A650 HydrophobicContact CG1-CB 4.04Å; V612-A650 HydrophobicContact CG2-CB 3.79Å; V612-V678 HydrophobicContact CG2-CG1 4.48Å; V612-V682 HydrophobicContact CG2-CG2 4.27Å
613	H	98.8	Very high	97.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-26.8	-167.8	70.1	-71.8	0	0	0	115.3	A609 A610 H646 V682 T685	A609-H613 WeakPolarHBondContact O-CB 3.49Å; A609-H613 PolarHBondContact O-N 3.46Å; A610-H613 PolarHBondContact O-CE1 2.92Å; A610-H613 PolarHBondContact O-ND1 2.72Å; H613-H646 WeakPolarHBondContact O-CB 3.42Å; H613-H646 PolarHBondContact O-CD2 2.86Å; H613-V682 HydrophobicContact CB-CG1 4.48Å; H613-V682 HydrophobicContact CB-CG2 4.2Å; H613-T685 HydrophobicContact CB-CG2 4.2Å
614	D	98.8	Very high	97.3	Very high	14 Å²	14	11.1 Å²	11.1	8%	0.075	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	19.4	-176.3	-80.7	-2.3	0	0	0	113.4	Y566 H573 H577 V612 D616 H617	Y566-D614 HydrophobicContact CE1-CB 3.69Å; Y566-D614 VanDerWaalsContact CE1-O 3.27Å; Y566-D614 WeakPolarHBondContact CE1-O 3.44Å; Y566-D614 PolarHBondContact OH-N 2.85Å; H573-D614 IonicContact CD2-OD2 2.91Å; H573-D614 PolarHBondContact CD2-OD2 3.08Å; H573-D614 VanDerWaalsContact CD2-OD2 3.27Å; H577-D614 IonicContact CD2-OD2 2.76Å; H577-D614 PolarHBondContact CD2-OD2 3.33Å; V612-D614 PolarHBondContact O-N 3.02Å; D614-D616 PolarHBondContact O-N 3.48Å; D614-H617 HydrophobicContact CB-CB 4.39Å; D614-H617 VanDerWaalsContact O-CB 3.26Å; D614-H617 WeakPolarHBondContact O-CB 3.2Å; D614-H617 PolarHBondContact O-N 3.45Å
615	I	98.4	Very high	97	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	127.5	-175.9	-169.8	-176.5	0	0	0	111.6	I562 N565 Y566 V612 H617 H646 L649 A650 L653	I562-I615 HydrophobicContact CB-CD1 4.37Å; I562-I615 HydrophobicContact CD1-CD1 3.61Å; I562-I615 HydrophobicContact CG2-CD1 4.07Å; N565-I615 HydrophobicContact CB-CD1 3.94Å; N565-I615 HydrophobicContact CB-CG1 3.74Å; Y566-I615 HydrophobicContact CD2-CG1 4.49Å; Y566-I615 HydrophobicContact CE2-CB 4.12Å; Y566-I615 HydrophobicContact CE2-CG1 4.35Å; V612-I615 VanDerWaalsContact O-CG2 3.29Å; V612-I615 WeakPolarHBondContact O-CG2 3.12Å; V612-I615 PolarHBondContact O-N 3.06Å; I615-H617 VanDerWaalsContact C-N 3.3Å; I615-H646 HydrophobicContact CG2-CB 4.13Å; I615-H646 VanDerWaalsContact CG2-O 3.3Å; I615-H646 WeakPolarHBondContact CG2-O 3.42Å; I615-H646 PolarHBondContact O-ND1 3.23Å; I615-L649 HydrophobicContact CG1-CD2 4.47Å; I615-A650 HydrophobicContact CG2-CB 4.19Å; I615-L653 HydrophobicContact CD1-CD1 3.61Å
616	D	98.6	Very high	96.5	Very high	46 Å²	46	12.2 Å²	12.2	25%	0.246	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	25.7	-174.7	-161.9	53	0	0	0	114.3	N565 H567 D614 H645 L649	N565-D616 WeakPolarHBondContact O-CA 3.44Å; N565-D616 PolarHBondContact O-N 3.44Å; H567-D616 IonicContact CD2-OD1 3.28Å; H567-D616 IonicContact CE1-OD1 3.06Å; H567-D616 IonicContact NE2-OD1 2.74Å; H567-D616 PolarHBondContact NE2-OD1 3.08Å; D614-D616 PolarHBondContact O-N 3.48Å; D616-H645 IonicContact OD2-CD2 3.82Å; D616-H645 IonicContact OD2-CE1 2.95Å; D616-H645 IonicContact OD2-NE2 3.82Å; D616-H645 PolarHBondContact OD2-NE2 3.49Å; D616-L649 HydrophobicContact CB-CD2 3.26Å
617	H	98.7	Very high	95.8	Very high	13 Å²	13	14 Å²	14	6%	0.06	8%	0.076	C	C	.	.			trans	-59.6	126.2	168.9	-171.4	-91.9	0	0	0	111.4	N570 H573 D614 I615 G619 R620 H646	N570-H617 PolarHBondContact ND2-O 2.85Å; H573-H617 HydrophobicContact CB-CB 4Å; H573-H617 WeakPolarHBondContact CB-ND1 3.47Å; H573-H617 AromaticContact CE1-CE1 3.73Å; H573-H617 AromaticContact CG-CE1 3.48Å; H573-H617 VanDerWaalsContact CG-CE1 3.48Å; H573-H617 AromaticContact CG-CG 3.94Å; H573-H617 AromaticContact CG-ND1 3.34Å; H573-H617 VanDerWaalsContact CG-ND1 3.34Å; H573-H617 AromaticContact ND1-CE1 3.22Å; H573-H617 PolarHBondContact ND1-CE1 3.28Å; H573-H617 AromaticContact ND1-ND1 3.49Å; H573-H617 PolarHBondContact ND1-ND1 2.87Å; D614-H617 HydrophobicContact CB-CB 4.39Å; D614-H617 VanDerWaalsContact O-CB 3.26Å; D614-H617 WeakPolarHBondContact O-CB 3.2Å; D614-H617 PolarHBondContact O-N 3.45Å; I615-H617 VanDerWaalsContact C-N 3.3Å; H617-G619 VanDerWaalsContact C-N 3.26Å; H617-G619 PolarHBondContact ND1-N 2.78Å; H617-G619 VanDerWaalsContact ND1-N 3.16Å; H617-G619 PolarHBondContact O-N 3.44Å; H617-R620 PolarHBondContact NE2-O 2.88Å; H617-H646 AromaticContact CD2-NE2 3.73Å
618	P	97.4	Very high	95.3	Very high	42 Å²	42	15.9 Å²	15.9	27%	0.273	9%	0.092	S	C	.	.			trans	-85.6	9.2	-171.9	35.7	-37.3	0	0	0	113.9	R620 L625 L642	P618-R620 HydrophobicContact CG-CB 4.33Å; P618-L625 HydrophobicContact CG-CD1 4.16Å; P618-L625 HydrophobicContact CG-CD2 4.26Å; P618-L642 HydrophobicContact CG-CD2 4.04Å
619	G	97.2	Very high	94.6	Very high	3 Å²	3	17.9 Å²	17.9	3%	0.031	11%	0.113	C	C	.	.	S	Bend	trans	70.5	29.3	-175.2	0	0	0	0	0	113.8	N570 H617 E763	N570-G619 PolarHBondContact ND2-N 3.42Å; H617-G619 VanDerWaalsContact C-N 3.26Å; H617-G619 PolarHBondContact ND1-N 2.78Å; H617-G619 VanDerWaalsContact ND1-N 3.16Å; H617-G619 PolarHBondContact O-N 3.44Å; G619-E763 VanDerWaalsContact CA-OE1 3.31Å; G619-E763 WeakPolarHBondContact CA-OE1 3.34Å
620	R	96.8	Very high	94.2	Very high	41 Å²	41	19.2 Å²	19.2	16%	0.155	12%	0.122	C	C	.	.	S	Bend	trans	-143.8	143.1	-176.6	-61.6	-68.4	176.7	-101.6	3.4	110.2	H617 P618 F624 L642 A766 Q767 E770	H617-R620 PolarHBondContact NE2-O 2.88Å; P618-R620 HydrophobicContact CG-CB 4.33Å; R620-F624 HydrophobicContact CB-CB 4.28Å; R620-F624 HydrophobicContact CB-CD1 3.53Å; R620-F624 HydrophobicContact CB-CE1 4.08Å; R620-F624 HydrophobicContact CB-CG 4.02Å; R620-F624 HydrophobicContact CG-CD1 3.66Å; R620-F624 HydrophobicContact CG-CE1 3.67Å; R620-F624 HydrophobicContact CG-CG 4.26Å; R620-F624 HydrophobicContact CG-CZ 4.28Å; R620-L642 VanDerWaalsContact O-CD1 3.3Å; R620-L642 WeakPolarHBondContact O-CD1 3.11Å; R620-A766 PolarHBondContact NH2-O 2.94Å; R620-Q767 VanDerWaalsContact CA-OE1 3.3Å; R620-E770 IonicContact CZ-OE2 2.77Å; R620-E770 IonicContact NE-OE2 3.6Å; R620-E770 PolarHBondContact NE-OE2 3.35Å; R620-E770 IonicContact NH2-OE2 2.67Å; R620-E770 PolarHBondContact NH2-OE2 2.85Å
621	T	95.3	Very high	93.8	Very high	18 Å²	18	27.5 Å²	27.5	11%	0.11	16%	0.161	C	C	.	.			trans	-72.3	160.2	-179.6	66.9	0	0	0	0	112.8	S623 F624 L625 Y764 Q767 M780	T621-S623 PolarHBondContact O-N 3.39Å; T621-F624 WeakPolarHBondContact O-CB 3.29Å; T621-F624 PolarHBondContact O-N 3.31Å; T621-F624 VanDerWaalsContact O-N 3.09Å; T621-L625 PolarHBondContact O-N 3.47Å; T621-L625 VanDerWaalsContact O-N 3.16Å; T621-Y764 HydrophobicContact CG2-CE1 4.24Å; T621-Q767 PolarHBondContact OG1-NE2 3.26Å; T621-Q767 VanDerWaalsContact OG1-NE2 3.09Å; T621-M780 HydrophobicContact CG2-SD 4.39Å
622	N	91.3	Very high	93.1	Very high	28 Å²	28	29.3 Å²	29.3	15%	0.15	17%	0.17	C	C	.	.	H	α-helix	trans	-48.8	-46.3	171.8	-82.8	-30.7	0	0	0	111.8	F624 L625 C626 V641 L642 E643	N622-F624 VanDerWaalsContact C-N 3.32Å; N622-F624 PolarHBondContact O-N 2.86Å; N622-L625 PolarHBondContact O-N 3.36Å; N622-L625 VanDerWaalsContact O-N 3.08Å; N622-C626 PolarHBondContact O-N 3.49Å; N622-C626 PolarHBondContact O-SG 2.98Å; N622-V641 WeakPolarHBondContact OD1-CB 3.32Å; N622-V641 PolarHBondContact OD1-N 3.22Å; N622-L642 VanDerWaalsContact OD1-CB 3.32Å; N622-L642 WeakPolarHBondContact OD1-CB 3.44Å; N622-L642 WeakPolarHBondContact OD1-CD1 3.49Å; N622-L642 VanDerWaalsContact OD1-CG 3.29Å; N622-L642 WeakPolarHBondContact OD1-CG 3.32Å; N622-L642 PolarHBondContact OD1-N 3.41Å; N622-E643 PolarHBondContact ND2-OE1 2.69Å; N622-E643 VanDerWaalsContact ND2-OE1 3.09Å; N622-E643 PolarHBondContact ND2-OE2 2.87Å
623	S	89.7	Confident	92.5	Very high	7 Å²	7	29.2 Å²	29.2	5%	0.049	17%	0.17	C	C	.	.	H	α-helix	trans	-62.6	-34.1	-178.9	-42.9	0	0	0	0	113.2	T467 T621 N627	T467-S623 PolarHBondContact O-OG 3.42Å; T467-S623 PolarHBondContact OG1-OG 2.7Å; T621-S623 PolarHBondContact O-N 3.39Å; S623-N627 WeakPolarHBondContact O-CB 3.41Å; S623-N627 VanDerWaalsContact O-CG 3.26Å; S623-N627 PolarHBondContact O-N 3.29Å; S623-N627 PolarHBondContact O-ND2 3.47Å
624	F	93.9	Very high	91.5	Very high	13 Å²	13	34.8 Å²	34.8	6%	0.057	20%	0.198	C	C	.	.	H	α-helix	trans	-65.6	-46.9	170.8	174.2	-86.2	0	0	0	111.5	R620 T621 N622 C626 N627 A628 Q767 E770 E771 L776	R620-F624 HydrophobicContact CB-CB 4.28Å; R620-F624 HydrophobicContact CB-CD1 3.53Å; R620-F624 HydrophobicContact CB-CE1 4.08Å; R620-F624 HydrophobicContact CB-CG 4.02Å; R620-F624 HydrophobicContact CG-CD1 3.66Å; R620-F624 HydrophobicContact CG-CE1 3.67Å; R620-F624 HydrophobicContact CG-CG 4.26Å; R620-F624 HydrophobicContact CG-CZ 4.28Å; T621-F624 WeakPolarHBondContact O-CB 3.29Å; T621-F624 PolarHBondContact O-N 3.31Å; T621-F624 VanDerWaalsContact O-N 3.09Å; N622-F624 VanDerWaalsContact C-N 3.32Å; N622-F624 PolarHBondContact O-N 2.86Å; F624-C626 VanDerWaalsContact C-N 3.29Å; F624-C626 PolarHBondContact O-N 3.01Å; F624-N627 PolarHBondContact O-N 3.47Å; F624-A628 HydrophobicContact CE1-CB 4.33Å; F624-A628 VanDerWaalsContact O-CB 3.27Å; F624-A628 WeakPolarHBondContact O-CB 3.32Å; F624-A628 PolarHBondContact O-N 2.93Å; F624-Q767 HydrophobicContact CB-CG 4.4Å; F624-Q767 HydrophobicContact CD2-CG 3.83Å; F624-Q767 HydrophobicContact CE2-CG 4.47Å; F624-Q767 HydrophobicContact CG-CG 4.32Å; F624-E770 HydrophobicContact CE2-CB 4.45Å; F624-E770 HydrophobicContact CE2-CG 3.98Å; F624-E770 HydrophobicContact CZ-CG 3.9Å; F624-E771 HydrophobicContact CD2-CG 3.55Å; F624-E771 HydrophobicContact CE2-CG 3.82Å; F624-L776 HydrophobicContact CD2-CD1 4.39Å; F624-L776 HydrophobicContact CE2-CD1 3.88Å; F624-L776 HydrophobicContact CZ-CD1 4.28Å
625	L	90.8	Very high	90.8	Very high	13 Å²	13	39.1 Å²	39.1	7%	0.068	22%	0.221	C	C	.	.	H	α-helix	trans	-62.8	-35.3	-177.4	-69.4	176.6	0	0	0	112.7	P618 T621 N622 G629 S630 A633 V641 L642	P618-L625 HydrophobicContact CG-CD1 4.16Å; P618-L625 HydrophobicContact CG-CD2 4.26Å; T621-L625 PolarHBondContact O-N 3.47Å; T621-L625 VanDerWaalsContact O-N 3.16Å; N622-L625 PolarHBondContact O-N 3.36Å; N622-L625 VanDerWaalsContact O-N 3.08Å; L625-G629 PolarHBondContact O-N 3.15Å; L625-S630 WeakPolarHBondContact CB-OG 3.36Å; L625-S630 WeakPolarHBondContact O-CB 3.48Å; L625-S630 PolarHBondContact O-N 3.47Å; L625-S630 PolarHBondContact O-OG 3.02Å; L625-A633 HydrophobicContact CB-CB 4.44Å; L625-A633 VanDerWaalsContact O-CB 3.26Å; L625-A633 WeakPolarHBondContact O-CB 3.3Å; L625-V641 HydrophobicContact CD1-CG1 4.37Å; L625-L642 HydrophobicContact CD1-CD1 3.85Å; L625-L642 HydrophobicContact CD1-CD2 3.7Å; L625-L642 HydrophobicContact CD1-CG 3.66Å
626	C	87.7	Confident	90.2	Very high	15 Å²	15	41.3 Å²	41.3	10%	0.101	23%	0.229	C	C	.	.	H	α-helix	trans	-72.1	-48.4	172.9	-55.6	0	0	0	0	111.5	N622 F624 A628 G629 A633 D638	N622-C626 PolarHBondContact O-N 3.49Å; N622-C626 PolarHBondContact O-SG 2.98Å; F624-C626 VanDerWaalsContact C-N 3.29Å; F624-C626 PolarHBondContact O-N 3.01Å; C626-A628 VanDerWaalsContact C-N 3.26Å; C626-A628 PolarHBondContact O-N 3.38Å; C626-G629 PolarHBondContact O-N 2.88Å; C626-A633 HydrophobicContact CB-CB 4.47Å; C626-D638 HydrophobicContact CB-CB 4.39Å
627	N	84.5	Confident	89.5	Confident	36 Å²	36	44.9 Å²	44.9	19%	0.193	25%	0.249	C	C	.	.	H	α-helix	trans	-59.7	-34.6	177.8	-80	-20	0	0	0	113.1	S623 F624 G629 V779	S623-N627 WeakPolarHBondContact O-CB 3.41Å; S623-N627 VanDerWaalsContact O-CG 3.26Å; S623-N627 PolarHBondContact O-N 3.29Å; S623-N627 PolarHBondContact O-ND2 3.47Å; F624-N627 PolarHBondContact O-N 3.47Å; N627-G629 VanDerWaalsContact C-N 3.31Å; N627-V779 WeakPolarHBondContact ND2-CG1 3.4Å
628	A	88.4	Confident	88.7	Confident	41 Å²	41	47.3 Å²	47.3	34%	0.339	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80	-7.2	176.8	0	0	0	0	0	113.9	F624 C626 S630 L776	F624-A628 HydrophobicContact CE1-CB 4.33Å; F624-A628 VanDerWaalsContact O-CB 3.27Å; F624-A628 WeakPolarHBondContact O-CB 3.32Å; F624-A628 PolarHBondContact O-N 2.93Å; C626-A628 VanDerWaalsContact C-N 3.26Å; C626-A628 PolarHBondContact O-N 3.38Å; A628-S630 VanDerWaalsContact C-N 3.31Å; A628-S630 PolarHBondContact O-N 3.44Å; A628-L776 HydrophobicContact CB-CD1 3.95Å
629	G	84.7	Confident	88	Confident	44 Å²	44	49.6 Å²	49.6	45%	0.454	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	36.1	-175.7	0	0	0	0	0	113.4	L625 C626 N627 I634	L625-G629 PolarHBondContact O-N 3.15Å; C626-G629 PolarHBondContact O-N 2.88Å; N627-G629 VanDerWaalsContact C-N 3.31Å; G629-I634 WeakPolarHBondContact O-CD1 3.36Å
630	S	91.3	Very high	87.7	Confident	27 Å²	27	50 Å²	50	19%	0.189	28%	0.278	C	S	.	.			trans	-64.6	156.7	-173.6	67.7	0	0	0	0	113.5	L625 A628 L632 A633 I634	L625-S630 WeakPolarHBondContact CB-OG 3.36Å; L625-S630 WeakPolarHBondContact O-CB 3.48Å; L625-S630 PolarHBondContact O-N 3.47Å; L625-S630 PolarHBondContact O-OG 3.02Å; A628-S630 VanDerWaalsContact C-N 3.31Å; A628-S630 PolarHBondContact O-N 3.44Å; S630-L632 PolarHBondContact O-N 3.45Å; S630-A633 PolarHBondContact O-N 3.48Å; S630-A633 VanDerWaalsContact O-N 3.1Å; S630-A633 WeakPolarHBondContact OG-CB 3.45Å; S630-A633 PolarHBondContact OG-N 2.7Å; S630-I634 WeakPolarHBondContact O-CG1 3.4Å; S630-I634 PolarHBondContact O-N 3.14Å
631	E	89.6	Confident	87.4	Confident	174 Å²	174	48 Å²	48	81%	0.813	27%	0.271	S	S	*	.	H	α-helix	trans	-57.6	-35.7	178.5	-62.8	-172	170.2	0	0	112.7	L635	E631-L635 VanDerWaalsContact O-CB 3.25Å; E631-L635 WeakPolarHBondContact O-CB 3.45Å; E631-L635 PolarHBondContact O-N 3.36Å
632	L	85.4	Confident	87.5	Confident	38 Å²	38	47.5 Å²	47.5	20%	0.199	27%	0.267	C	S	.	.	H	α-helix	trans	-68.3	-44.6	175.1	-63.3	-177.9	0	0	0	111.8	S630 I634 L635 Y636 V641	S630-L632 PolarHBondContact O-N 3.45Å; L632-I634 VanDerWaalsContact C-N 3.33Å; L632-I634 PolarHBondContact O-N 3Å; L632-L635 PolarHBondContact O-N 3.14Å; L632-Y636 HydrophobicContact CD2-CE2 4.36Å; L632-Y636 VanDerWaalsContact O-CD2 3.31Å; L632-Y636 WeakPolarHBondContact O-CD2 3.2Å; L632-Y636 PolarHBondContact O-N 2.77Å; L632-V641 VanDerWaalsContact C-CG1 3.47Å; L632-V641 HydrophobicContact CB-CG1 3.74Å
633	A	84.6	Confident	87.9	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-39.9	178.1	0	0	0	0	0	111.9	L625 C626 S630 N637 D638 V641	L625-A633 HydrophobicContact CB-CB 4.44Å; L625-A633 VanDerWaalsContact O-CB 3.26Å; L625-A633 WeakPolarHBondContact O-CB 3.3Å; C626-A633 HydrophobicContact CB-CB 4.47Å; S630-A633 PolarHBondContact O-N 3.48Å; S630-A633 VanDerWaalsContact O-N 3.1Å; S630-A633 WeakPolarHBondContact OG-CB 3.45Å; S630-A633 PolarHBondContact OG-N 2.7Å; A633-N637 WeakPolarHBondContact O-CA 3.45Å; A633-N637 PolarHBondContact O-N 2.67Å; A633-D638 PolarHBondContact O-N 3.26Å; A633-V641 HydrophobicContact CB-CG1 4.37Å; A633-V641 HydrophobicContact CB-CG2 4.35Å
634	I	78.5	Confident	88.2	Confident	118 Å²	118	48.1 Å²	48.1	61%	0.605	27%	0.272	S	S	*	.	H	α-helix	trans	-63	-43.7	172.6	-65.7	168.4	0	0	0	111.1	G629 S630 L632	G629-I634 WeakPolarHBondContact O-CD1 3.36Å; S630-I634 WeakPolarHBondContact O-CG1 3.4Å; S630-I634 PolarHBondContact O-N 3.14Å; L632-I634 VanDerWaalsContact C-N 3.33Å; L632-I634 PolarHBondContact O-N 3Å
635	L	83.8	Confident	88.4	Confident	105 Å²	105	48.5 Å²	48.5	55%	0.55	27%	0.274	S	S	.	.	H	α-helix	trans	-64.2	-43.8	179.8	177.9	61.6	0	0	0	112.5	E631 L632 N637	E631-L635 VanDerWaalsContact O-CB 3.25Å; E631-L635 WeakPolarHBondContact O-CB 3.45Å; E631-L635 PolarHBondContact O-N 3.36Å; L632-L635 PolarHBondContact O-N 3.14Å; L635-N637 PolarHBondContact O-ND2 2.85Å; L635-N637 VanDerWaalsContact O-ND2 3.16Å
636	Y	85.8	Confident	88.8	Confident	45 Å²	45	48 Å²	48	18%	0.176	27%	0.271	C	S	.	.	H	α-helix	trans	-95.9	8.2	-178	-63.5	-68	0	0	0	113.8	L632 D638 T639 V641 H645 A648	L632-Y636 HydrophobicContact CD2-CE2 4.36Å; L632-Y636 VanDerWaalsContact O-CD2 3.31Å; L632-Y636 WeakPolarHBondContact O-CD2 3.2Å; L632-Y636 PolarHBondContact O-N 2.77Å; Y636-D638 PolarHBondContact O-N 3.44Å; Y636-T639 PolarHBondContact O-N 3.31Å; Y636-V641 HydrophobicContact CD2-CG1 4.22Å; Y636-V641 VanDerWaalsContact CD2-O 3.32Å; Y636-V641 WeakPolarHBondContact CD2-O 3.47Å; Y636-H645 HydrophobicContact CD2-CB 4.43Å; Y636-H645 HydrophobicContact CE2-CB 3.69Å; Y636-A648 WeakPolarHBondContact OH-CB 3.49Å
637	N	84.4	Confident	89.3	Confident	122 Å²	122	47.5 Å²	47.5	65%	0.652	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	49.3	173.6	-56.4	-107.3	0	0	0	112.1	A633 L635 T639	A633-N637 WeakPolarHBondContact O-CA 3.45Å; A633-N637 PolarHBondContact O-N 2.67Å; L635-N637 PolarHBondContact O-ND2 2.85Å; L635-N637 VanDerWaalsContact O-ND2 3.16Å; N637-T639 PolarHBondContact O-N 2.88Å; N637-T639 PolarHBondContact O-OG1 3.25Å
638	D	81.1	Confident	89.9	Confident	63 Å²	63	47 Å²	47	34%	0.337	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	56	13.7	-179.5	-50.5	-43	0	0	0	115.4	C626 A633 Y636	C626-D638 HydrophobicContact CB-CB 4.39Å; A633-D638 PolarHBondContact O-N 3.26Å; Y636-D638 PolarHBondContact O-N 3.44Å
639	T	84.1	Confident	90.4	Very high	90 Å²	90	46.1 Å²	46.1	55%	0.552	26%	0.259	S	S	*	.	S	Bend	trans	-118	116.5	-169.9	-54.6	0	0	0	0	111.1	Y636 N637 V641	Y636-T639 PolarHBondContact O-N 3.31Å; N637-T639 PolarHBondContact O-N 2.88Å; N637-T639 PolarHBondContact O-OG1 3.25Å; T639-V641 PolarHBondContact O-N 3.39Å
640	A	90.1	Very high	91.1	Very high	11 Å²	11	44.2 Å²	44.2	9%	0.091	24%	0.238	C	C	.	.	S	Bend	trans	44.5	48.3	179.4	0	0	0	0	0	112.5	L642 E643 S644 E686	A640-L642 PolarHBondContact O-N 2.96Å; A640-E643 WeakPolarHBondContact CA-OE2 3.36Å; A640-S644 WeakPolarHBondContact O-CB 3.26Å; A640-S644 PolarHBondContact O-N 2.71Å; A640-S644 PolarHBondContact O-OG 3.11Å; A640-E686 WeakPolarHBondContact CB-OE2 3.38Å
641	V	91.3	Very high	91.4	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	23%	0.231	C	C	.	.	H	α-helix	trans	-63.3	-47.8	-159.8	173.2	0	0	0	0	111.4	N622 L625 L632 A633 Y636 T639 H645	N622-V641 WeakPolarHBondContact OD1-CB 3.32Å; N622-V641 PolarHBondContact OD1-N 3.22Å; L625-V641 HydrophobicContact CD1-CG1 4.37Å; L632-V641 VanDerWaalsContact C-CG1 3.47Å; L632-V641 HydrophobicContact CB-CG1 3.74Å; A633-V641 HydrophobicContact CB-CG1 4.37Å; A633-V641 HydrophobicContact CB-CG2 4.35Å; Y636-V641 HydrophobicContact CD2-CG1 4.22Å; Y636-V641 VanDerWaalsContact CD2-O 3.32Å; Y636-V641 WeakPolarHBondContact CD2-O 3.47Å; T639-V641 PolarHBondContact O-N 3.39Å; V641-H645 WeakPolarHBondContact O-CB 3.4Å; V641-H645 PolarHBondContact O-N 2.92Å; V641-H645 VanDerWaalsContact O-N 3.14Å
642	L	97.8	Very high	91.8	Very high	6 Å²	6	40.7 Å²	40.7	3%	0.031	22%	0.219	C	C	.	.	H	α-helix	trans	-73.4	-49	-179.3	-77.6	164.6	0	0	0	111.7	P618 R620 N622 L625 A640 S644 H645 H646	P618-L642 HydrophobicContact CG-CD2 4.04Å; R620-L642 VanDerWaalsContact O-CD1 3.3Å; R620-L642 WeakPolarHBondContact O-CD1 3.11Å; N622-L642 VanDerWaalsContact OD1-CB 3.32Å; N622-L642 WeakPolarHBondContact OD1-CB 3.44Å; N622-L642 WeakPolarHBondContact OD1-CD1 3.49Å; N622-L642 VanDerWaalsContact OD1-CG 3.29Å; N622-L642 WeakPolarHBondContact OD1-CG 3.32Å; N622-L642 PolarHBondContact OD1-N 3.41Å; L625-L642 HydrophobicContact CD1-CD1 3.85Å; L625-L642 HydrophobicContact CD1-CD2 3.7Å; L625-L642 HydrophobicContact CD1-CG 3.66Å; A640-L642 PolarHBondContact O-N 2.96Å; L642-S644 PolarHBondContact O-N 3.34Å; L642-H645 CarbonylContact O-C 3.6Å; L642-H645 WeakPolarHBondContact O-CA 3.48Å; L642-H645 VanDerWaalsContact O-CB 3.32Å; L642-H645 WeakPolarHBondContact O-CB 3.21Å; L642-H645 PolarHBondContact O-N 3.09Å; L642-H646 WeakPolarHBondContact CB-NE2 3.28Å; L642-H646 PolarHBondContact O-CD2 3.45Å; L642-H646 PolarHBondContact O-N 3.01Å; L642-H646 PolarHBondContact O-NE2 3.33Å
643	E	98.4	Very high	92.3	Very high	19 Å²	19	39.9 Å²	39.9	9%	0.089	22%	0.215	C	C	.	.	H	α-helix	trans	-62.5	-35.4	-177.8	-54.9	85.3	169.9	0	0	111.3	N622 A640 A647 V682 L683 E686	N622-E643 PolarHBondContact ND2-OE1 2.69Å; N622-E643 VanDerWaalsContact ND2-OE1 3.09Å; N622-E643 PolarHBondContact ND2-OE2 2.87Å; A640-E643 WeakPolarHBondContact CA-OE2 3.36Å; E643-A647 WeakPolarHBondContact O-CB 3.41Å; E643-A647 PolarHBondContact O-N 3.38Å; E643-V682 WeakPolarHBondContact O-CG1 3.43Å; E643-L683 HydrophobicContact CB-CD2 3.99Å; E643-E686 HydrophobicContact CG-CB 3.91Å; E643-E686 WeakPolarHBondContact OE1-CA 3.48Å; E643-E686 WeakPolarHBondContact OE1-CB 3.4Å; E643-E686 WeakPolarHBondContact OE1-CG 3.33Å
644	S	96.8	Very high	92.8	Very high	30 Å²	30	40 Å²	40	21%	0.21	22%	0.215	C	C	.	.	H	α-helix	trans	-68.6	-39.6	170.8	-59.4	0	0	0	0	112.5	A640 L642 A648	A640-S644 WeakPolarHBondContact O-CB 3.26Å; A640-S644 PolarHBondContact O-N 2.71Å; A640-S644 PolarHBondContact O-OG 3.11Å; L642-S644 PolarHBondContact O-N 3.34Å; S644-A648 WeakPolarHBondContact O-CB 3.18Å; S644-A648 PolarHBondContact O-N 2.75Å
645	H	98.5	Very high	93.3	Very high	20 Å²	20	38 Å²	38	9%	0.093	21%	0.209	C	C	.	.	H	α-helix	trans	-64.8	-49.5	176.3	-177.5	56.3	0	0	0	112.2	D616 Y636 V641 L642 A647 A648 L649	D616-H645 IonicContact OD2-CD2 3.82Å; D616-H645 IonicContact OD2-CE1 2.95Å; D616-H645 IonicContact OD2-NE2 3.82Å; D616-H645 PolarHBondContact OD2-NE2 3.49Å; Y636-H645 HydrophobicContact CD2-CB 4.43Å; Y636-H645 HydrophobicContact CE2-CB 3.69Å; V641-H645 WeakPolarHBondContact O-CB 3.4Å; V641-H645 PolarHBondContact O-N 2.92Å; V641-H645 VanDerWaalsContact O-N 3.14Å; L642-H645 CarbonylContact O-C 3.6Å; L642-H645 WeakPolarHBondContact O-CA 3.48Å; L642-H645 VanDerWaalsContact O-CB 3.32Å; L642-H645 WeakPolarHBondContact O-CB 3.21Å; L642-H645 PolarHBondContact O-N 3.09Å; H645-A647 PolarHBondContact O-N 3.12Å; H645-A648 PolarHBondContact O-N 3Å; H645-A648 VanDerWaalsContact O-N 3.14Å; H645-L649 WeakPolarHBondContact O-CB 3.36Å; H645-L649 PolarHBondContact O-N 2.76Å
646	H	98.7	Very high	93.6	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.009	22%	0.221	C	C	.	.	H	α-helix	trans	-57	-50.5	179.3	-56.8	-33.4	0	0	0	111	H613 I615 H617 L642 A648 A650 V682	H613-H646 WeakPolarHBondContact O-CB 3.42Å; H613-H646 PolarHBondContact O-CD2 2.86Å; I615-H646 HydrophobicContact CG2-CB 4.13Å; I615-H646 VanDerWaalsContact CG2-O 3.3Å; I615-H646 WeakPolarHBondContact CG2-O 3.42Å; I615-H646 PolarHBondContact O-ND1 3.23Å; H617-H646 AromaticContact CD2-NE2 3.73Å; L642-H646 WeakPolarHBondContact CB-NE2 3.28Å; L642-H646 PolarHBondContact O-CD2 3.45Å; L642-H646 PolarHBondContact O-N 3.01Å; L642-H646 PolarHBondContact O-NE2 3.33Å; H646-A648 PolarHBondContact O-N 3.01Å; H646-A650 WeakPolarHBondContact O-CB 3.38Å; H646-A650 PolarHBondContact O-N 3.04Å; H646-V682 HydrophobicContact CB-CG1 4.21Å
647	A	98.4	Very high	93.8	Very high	6 Å²	6	44.3 Å²	44.3	5%	0.05	23%	0.23	C	C	.	.	H	α-helix	trans	-61.4	-42.8	175	0	0	0	0	0	112.6	E643 H645 F651 I679 V682	E643-A647 WeakPolarHBondContact O-CB 3.41Å; E643-A647 PolarHBondContact O-N 3.38Å; H645-A647 PolarHBondContact O-N 3.12Å; A647-F651 WeakPolarHBondContact O-CD2 3.46Å; A647-I679 HydrophobicContact CB-CG1 4.46Å; A647-V682 HydrophobicContact CB-CB 4.35Å; A647-V682 HydrophobicContact CB-CG1 4.07Å
648	A	97.5	Very high	94.1	Very high	25 Å²	25	43.1 Å²	43.1	21%	0.207	22%	0.224	C	C	.	.	H	α-helix	trans	-65.9	-50.7	179.7	0	0	0	0	0	112.2	Y636 S644 H645 H646 F651 Q652	Y636-A648 WeakPolarHBondContact OH-CB 3.49Å; S644-A648 WeakPolarHBondContact O-CB 3.18Å; S644-A648 PolarHBondContact O-N 2.75Å; H645-A648 PolarHBondContact O-N 3Å; H645-A648 VanDerWaalsContact O-N 3.14Å; H646-A648 PolarHBondContact O-N 3.01Å; A648-F651 PolarHBondContact O-N 2.88Å; A648-Q652 VanDerWaalsContact O-CG 3.3Å; A648-Q652 WeakPolarHBondContact O-CG 3.32Å; A648-Q652 PolarHBondContact O-N 3.04Å
649	L	98.2	Very high	94.7	Very high	23 Å²	23	46.9 Å²	46.9	12%	0.12	24%	0.237	C	C	.	.	H	α-helix	trans	-65.5	-42.5	-176.7	-178.5	64.2	0	0	0	111.8	I615 D616 H645 F651 Q652 L653	I615-L649 HydrophobicContact CG1-CD2 4.47Å; D616-L649 HydrophobicContact CB-CD2 3.26Å; H645-L649 WeakPolarHBondContact O-CB 3.36Å; H645-L649 PolarHBondContact O-N 2.76Å; L649-F651 VanDerWaalsContact C-N 3.32Å; L649-F651 PolarHBondContact O-N 3.28Å; L649-Q652 PolarHBondContact O-N 3.07Å; L649-Q652 VanDerWaalsContact O-N 3.13Å; L649-L653 HydrophobicContact CD1-CD1 4.05Å; L649-L653 HydrophobicContact CD1-CD2 4.41Å; L649-L653 HydrophobicContact CD1-CG 3.91Å; L649-L653 HydrophobicContact CD2-CD1 4.35Å; L649-L653 HydrophobicContact CG-CD1 3.83Å; L649-L653 HydrophobicContact CG-CG 4.15Å; L649-L653 WeakPolarHBondContact O-CB 3.48Å; L649-L653 WeakPolarHBondContact O-CG 3.48Å; L649-L653 PolarHBondContact O-N 2.82Å
650	A	98.4	Very high	95.1	Very high	3 Å²	3	42.9 Å²	42.9	3%	0.025	21%	0.213	C	C	.	.	H	α-helix	trans	-51.4	-51	175.8	0	0	0	0	0	111.7	V612 I615 H646 T654	V612-A650 HydrophobicContact CB-CB 3.7Å; V612-A650 HydrophobicContact CG1-CB 4.04Å; V612-A650 HydrophobicContact CG2-CB 3.79Å; I615-A650 HydrophobicContact CG2-CB 4.19Å; H646-A650 WeakPolarHBondContact O-CB 3.38Å; H646-A650 PolarHBondContact O-N 3.04Å; A650-T654 WeakPolarHBondContact O-CB 3.22Å; A650-T654 PolarHBondContact O-N 3.36Å; A650-T654 PolarHBondContact O-OG1 3.38Å
651	F	98.1	Very high	95.4	Very high	9 Å²	9	43.4 Å²	43.4	4%	0.039	21%	0.214	C	C	.	.	H	α-helix	trans	-73.7	-28.9	179.3	-78.6	-71.7	0	0	0	113.9	A647 A648 L649 T655 F663 Y671 R675 V678 I679	A647-F651 WeakPolarHBondContact O-CD2 3.46Å; A648-F651 PolarHBondContact O-N 2.88Å; L649-F651 VanDerWaalsContact C-N 3.32Å; L649-F651 PolarHBondContact O-N 3.28Å; F651-T655 WeakPolarHBondContact O-CG2 3.46Å; F651-T655 PolarHBondContact O-N 2.91Å; F651-T655 VanDerWaalsContact O-N 3.11Å; F651-T655 PolarHBondContact O-OG1 2.93Å; F651-F663 HydrophobicContact CD1-CD2 4.32Å; F651-F663 AromaticContact CD1-CE2 3.81Å; F651-F663 HydrophobicContact CD1-CE2 3.81Å; F651-F663 HydrophobicContact CE1-CD2 4.11Å; F651-F663 AromaticContact CE1-CE2 3.42Å; F651-F663 HydrophobicContact CE1-CE2 3.42Å; F651-F663 VanDerWaalsContact CE1-CE2 3.42Å; F651-F663 AromaticContact CE1-CZ 3.91Å; F651-F663 HydrophobicContact CE1-CZ 3.91Å; F651-F663 HydrophobicContact CZ-CE2 4.44Å; F651-Y671 HydrophobicContact CE1-CE2 4.17Å; F651-R675 HydrophobicContact CE1-CB 4.24Å; F651-R675 HydrophobicContact CE1-CG 4Å; F651-R675 HydrophobicContact CE2-CG 4.06Å; F651-R675 HydrophobicContact CZ-CB 4.08Å; F651-R675 HydrophobicContact CZ-CG 3.76Å; F651-V678 HydrophobicContact CE2-CB 4.27Å; F651-V678 HydrophobicContact CE2-CG1 3.86Å; F651-V678 HydrophobicContact CZ-CB 4.03Å; F651-V678 HydrophobicContact CZ-CG1 3.92Å; F651-I679 HydrophobicContact CD2-CG1 4.36Å; F651-I679 HydrophobicContact CE2-CD1 4.29Å; F651-I679 HydrophobicContact CE2-CG1 3.85Å
652	Q	97.3	Very high	95.7	Very high	119 Å²	119	43.4 Å²	43.4	56%	0.556	21%	0.214	S	C	*	.	H	α-helix	trans	-64.4	-51.8	171.6	-74.1	175.4	35.5	0	0	110.8	A648 L649 T654 T655 R656	A648-Q652 VanDerWaalsContact O-CG 3.3Å; A648-Q652 WeakPolarHBondContact O-CG 3.32Å; A648-Q652 PolarHBondContact O-N 3.04Å; L649-Q652 PolarHBondContact O-N 3.07Å; L649-Q652 VanDerWaalsContact O-N 3.13Å; Q652-T654 VanDerWaalsContact C-N 3.33Å; Q652-T654 PolarHBondContact O-N 3.39Å; Q652-T655 PolarHBondContact O-N 2.87Å; Q652-R656 WeakPolarHBondContact O-CB 3.27Å; Q652-R656 PolarHBondContact O-N 3.34Å
653	L	95.8	Very high	95.7	Very high	21 Å²	21	43.8 Å²	43.8	11%	0.11	22%	0.215	C	C	.	.	H	α-helix	trans	-60.3	-43.4	178.4	-69.7	173.5	0	0	0	111.5	V561 N565 I615 L649 T655 R656	V561-L653 HydrophobicContact CG1-CB 3.92Å; V561-L653 HydrophobicContact CG1-CD1 4.23Å; V561-L653 HydrophobicContact CG1-CD2 4.17Å; V561-L653 HydrophobicContact CG1-CG 4.34Å; N565-L653 HydrophobicContact CB-CD1 4.15Å; I615-L653 HydrophobicContact CD1-CD1 3.61Å; L649-L653 HydrophobicContact CD1-CD1 4.05Å; L649-L653 HydrophobicContact CD1-CD2 4.41Å; L649-L653 HydrophobicContact CD1-CG 3.91Å; L649-L653 HydrophobicContact CD2-CD1 4.35Å; L649-L653 HydrophobicContact CG-CD1 3.83Å; L649-L653 HydrophobicContact CG-CG 4.15Å; L649-L653 WeakPolarHBondContact O-CB 3.48Å; L649-L653 WeakPolarHBondContact O-CG 3.48Å; L649-L653 PolarHBondContact O-N 2.82Å; L653-T655 PolarHBondContact O-N 3.31Å; L653-R656 PolarHBondContact O-N 3.42Å
654	T	96	Very high	95.6	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.012	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-43	178.5	-51.8	0	0	0	0	112.3	W558 A650 Q652 N661 I662 F663	W558-T654 PolarHBondContact NE1-OG1 2.86Å; A650-T654 WeakPolarHBondContact O-CB 3.22Å; A650-T654 PolarHBondContact O-N 3.36Å; A650-T654 PolarHBondContact O-OG1 3.38Å; Q652-T654 VanDerWaalsContact C-N 3.33Å; Q652-T654 PolarHBondContact O-N 3.39Å; T654-N661 WeakPolarHBondContact O-CA 3.34Å; T654-N661 VanDerWaalsContact O-CB 3.25Å; T654-N661 WeakPolarHBondContact O-CB 3.46Å; T654-N661 PolarHBondContact O-N 2.95Å; T654-I662 HydrophobicContact CG2-CG1 3.95Å; T654-F663 HydrophobicContact CG2-CD2 3.56Å; T654-F663 HydrophobicContact CG2-CE2 3.63Å
655	T	89.8	Confident	95.4	Very high	77 Å²	77	50.6 Å²	50.6	47%	0.472	24%	0.243	S	C	.	.	H	α-helix	trans	-90.9	-3.3	-175	59.1	0	0	0	0	114.4	F651 Q652 L653	F651-T655 WeakPolarHBondContact O-CG2 3.46Å; F651-T655 PolarHBondContact O-N 2.91Å; F651-T655 VanDerWaalsContact O-N 3.11Å; F651-T655 PolarHBondContact O-OG1 2.93Å; Q652-T655 PolarHBondContact O-N 2.87Å; L653-T655 PolarHBondContact O-N 3.31Å
656	R	90.3	Very high	95.2	Very high	212 Å²	212	50.8 Å²	50.8	80%	0.8	24%	0.244	S	C	*	.	H	α-helix	trans	-80.2	-33	-177.9	178.5	177.1	-179.3	-178.7	1.5	114.9	Q652 L653	Q652-R656 WeakPolarHBondContact O-CB 3.27Å; Q652-R656 PolarHBondContact O-N 3.34Å; L653-R656 PolarHBondContact O-N 3.42Å
657	D	89.3	Confident	95	Very high	70 Å²	70	57 Å²	57	37%	0.374	27%	0.273	S	S	.	.			trans	-124.2	125.8	173.3	-170.5	-16.6	0	0	0	109.7	K659 S660 N661	D657-K659 PolarHBondContact O-N 3.4Å; D657-K659 WeakPolarHBondContact OD1-CB 3.38Å; D657-K659 WeakPolarHBondContact OD1-CG 3.38Å; D657-K659 PolarHBondContact OD1-N 2.97Å; D657-S660 PolarHBondContact O-N 2.88Å; D657-N661 PolarHBondContact O-N 2.59Å; D657-N661 VanDerWaalsContact O-N 3.07Å
658	D	90.6	Very high	94.7	Very high	97 Å²	97	67.2 Å²	67.2	52%	0.519	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	-25.8	172.7	-110.5	-2.9	0	0	0	113.7	K664	D658-K664 WeakPolarHBondContact OD1-CD 3.44Å; D658-K664 WeakPolarHBondContact OD1-CE 3.25Å; D658-K664 IonicContact OD1-NZ 2.94Å; D658-K664 PolarHBondContact OD1-NZ 3.32Å; D658-K664 VanDerWaalsContact OD1-NZ 3.07Å; D658-K664 IonicContact OD2-NZ 2.94Å; D658-K664 PolarHBondContact OD2-NZ 2.74Å
659	K	92.9	Very high	94.4	Very high	141 Å²	141	71.6 Å²	71.6	61%	0.613	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-25.8	176	-64	171.5	-173.1	163.8	0	113.9	T554 S557 D657	T554-K659 VanDerWaalsContact CA-O 3.3Å; T554-K659 WeakPolarHBondContact CA-O 3.32Å; T554-K659 WeakPolarHBondContact CG2-O 3.43Å; S557-K659 WeakPolarHBondContact CB-O 3.3Å; D657-K659 PolarHBondContact O-N 3.4Å; D657-K659 WeakPolarHBondContact OD1-CB 3.38Å; D657-K659 WeakPolarHBondContact OD1-CG 3.38Å; D657-K659 PolarHBondContact OD1-N 2.97Å
660	S	93	Very high	94.1	Very high	6 Å²	6	74.5 Å²	74.5	4%	0.042	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-1.4	-179.7	-61.6	0	0	0	0	112.5	S557 W558 D657 I662	S557-S660 PolarHBondContact O-OG 3.1Å; W558-S660 WeakPolarHBondContact CB-O 3.37Å; D657-S660 PolarHBondContact O-N 2.88Å; S660-I662 PolarHBondContact O-N 3.34Å
661	N	97.1	Very high	94	Very high	23 Å²	23	77 Å²	77	12%	0.123	35%	0.352	C	S	.	.			trans	-80	82.3	-179.5	-169.4	0.8	0	0	0	112	T654 D657 F663 K664	T654-N661 WeakPolarHBondContact O-CA 3.34Å; T654-N661 VanDerWaalsContact O-CB 3.25Å; T654-N661 WeakPolarHBondContact O-CB 3.46Å; T654-N661 PolarHBondContact O-N 2.95Å; D657-N661 PolarHBondContact O-N 2.59Å; D657-N661 VanDerWaalsContact O-N 3.07Å; N661-F663 PolarHBondContact O-N 3.2Å; N661-F663 VanDerWaalsContact O-N 3.1Å; N661-F663 PolarHBondContact OD1-N 3.31Å; N661-F663 VanDerWaalsContact OD1-N 3.15Å; N661-K664 HydrophobicContact CB-CB 4.23Å; N661-K664 VanDerWaalsContact O-CB 3.24Å; N661-K664 WeakPolarHBondContact O-CB 3.25Å; N661-K664 PolarHBondContact O-N 3.19Å; N661-K664 VanDerWaalsContact O-N 3.11Å; N661-K664 PolarHBondContact OD1-N 2.95Å
662	I	97.9	Very high	93.8	Very high	0 Å²	0	85.7 Å²	85.7	0%	0	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-17.9	172.6	55.7	165.4	0	0	0	113.3	L548 T554 L555 W558 I608 T654 S660	L548-I662 HydrophobicContact CD1-CB 4.09Å; L548-I662 HydrophobicContact CD1-CD1 4.02Å; L548-I662 HydrophobicContact CD1-CG1 4.38Å; T554-I662 HydrophobicContact CG2-CG2 4.05Å; L555-I662 HydrophobicContact CB-CG2 4.47Å; L555-I662 HydrophobicContact CD1-CG2 4.4Å; W558-I662 HydrophobicContact CB-CG2 3.74Å; W558-I662 HydrophobicContact CD2-CD1 3.71Å; W558-I662 HydrophobicContact CD2-CG1 4.22Å; W558-I662 HydrophobicContact CD2-CG2 4.3Å; W558-I662 HydrophobicContact CE3-CD1 4.01Å; W558-I662 HydrophobicContact CG-CD1 4.2Å; W558-I662 HydrophobicContact CG-CG1 4.18Å; W558-I662 HydrophobicContact CG-CG2 3.92Å; W558-I662 HydrophobicContact CH2-CD1 4.17Å; W558-I662 HydrophobicContact CZ2-CD1 3.87Å; W558-I662 HydrophobicContact CZ3-CD1 4.23Å; I608-I662 HydrophobicContact CD1-CD1 4.11Å; T654-I662 HydrophobicContact CG2-CG1 3.95Å; S660-I662 PolarHBondContact O-N 3.34Å
663	F	97.4	Very high	93.7	Very high	14 Å²	14	83.4 Å²	83.4	6%	0.061	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	13	178.1	-49.5	-56.1	0	0	0	113.9	L548 I608 F651 T654 N661 H665 I666 Y671 L674	L548-F663 HydrophobicContact CD1-CE1 4.4Å; L548-F663 HydrophobicContact CD2-CD1 4.2Å; L548-F663 HydrophobicContact CD2-CE1 4.36Å; I608-F663 HydrophobicContact CD1-CE1 3.8Å; I608-F663 HydrophobicContact CD1-CZ 4.03Å; I608-F663 HydrophobicContact CG2-CZ 4.36Å; F651-F663 HydrophobicContact CD1-CD2 4.32Å; F651-F663 AromaticContact CD1-CE2 3.81Å; F651-F663 HydrophobicContact CD1-CE2 3.81Å; F651-F663 HydrophobicContact CE1-CD2 4.11Å; F651-F663 AromaticContact CE1-CE2 3.42Å; F651-F663 HydrophobicContact CE1-CE2 3.42Å; F651-F663 VanDerWaalsContact CE1-CE2 3.42Å; F651-F663 AromaticContact CE1-CZ 3.91Å; F651-F663 HydrophobicContact CE1-CZ 3.91Å; F651-F663 HydrophobicContact CZ-CE2 4.44Å; T654-F663 HydrophobicContact CG2-CD2 3.56Å; T654-F663 HydrophobicContact CG2-CE2 3.63Å; N661-F663 PolarHBondContact O-N 3.2Å; N661-F663 VanDerWaalsContact O-N 3.1Å; N661-F663 PolarHBondContact OD1-N 3.31Å; N661-F663 VanDerWaalsContact OD1-N 3.15Å; F663-H665 VanDerWaalsContact C-N 3.3Å; F663-H665 PolarHBondContact O-N 3.39Å; F663-I666 HydrophobicContact CB-CG2 4.08Å; F663-I666 VanDerWaalsContact O-CG2 3.3Å; F663-I666 WeakPolarHBondContact O-CG2 3.34Å; F663-Y671 HydrophobicContact CB-CD2 3.72Å; F663-Y671 HydrophobicContact CB-CE2 3.84Å; F663-Y671 HydrophobicContact CD1-CD2 4.21Å; F663-Y671 HydrophobicContact CD1-CE2 4.43Å; F663-Y671 HydrophobicContact CD2-CD2 4.32Å; F663-Y671 AromaticContact CD2-CE2 3.76Å; F663-Y671 HydrophobicContact CD2-CE2 3.76Å; F663-Y671 HydrophobicContact CE2-CE2 4.45Å; F663-Y671 AromaticContact CG-CD2 3.83Å; F663-Y671 HydrophobicContact CG-CD2 3.83Å; F663-Y671 AromaticContact CG-CE2 3.75Å; F663-Y671 HydrophobicContact CG-CE2 3.75Å; F663-L674 HydrophobicContact CD1-CD2 4Å; F663-L674 HydrophobicContact CE1-CD2 3.68Å
664	K	95.3	Very high	93.7	Very high	91 Å²	91	82.4 Å²	82.4	40%	0.396	38%	0.377	S	S	.	.	S	Bend	trans	-68	-24	-173.4	-174	171.6	177.6	172.1	0	114.8	D658 N661	D658-K664 WeakPolarHBondContact OD1-CD 3.44Å; D658-K664 WeakPolarHBondContact OD1-CE 3.25Å; D658-K664 IonicContact OD1-NZ 2.94Å; D658-K664 PolarHBondContact OD1-NZ 3.32Å; D658-K664 VanDerWaalsContact OD1-NZ 3.07Å; D658-K664 IonicContact OD2-NZ 2.94Å; D658-K664 PolarHBondContact OD2-NZ 2.74Å; N661-K664 HydrophobicContact CB-CB 4.23Å; N661-K664 VanDerWaalsContact O-CB 3.24Å; N661-K664 WeakPolarHBondContact O-CB 3.25Å; N661-K664 PolarHBondContact O-N 3.19Å; N661-K664 VanDerWaalsContact O-N 3.11Å; N661-K664 PolarHBondContact OD1-N 2.95Å
665	H	94	Very high	93.8	Very high	102 Å²	102	86.3 Å²	86.3	47%	0.472	39%	0.391	S	S	.	.	S	Bend	trans	-124.3	3.4	-167.4	-64.2	-57.4	0	0	0	115.4	N549 F663	N549-H665 HydrophobicContact CB-CB 3.97Å; N549-H665 VanDerWaalsContact O-CB 3.29Å; N549-H665 WeakPolarHBondContact O-CB 3.46Å; N549-H665 PolarHBondContact O-CD2 3.03Å; F663-H665 VanDerWaalsContact C-N 3.3Å; F663-H665 PolarHBondContact O-N 3.39Å
666	I	93.6	Very high	94.2	Very high	23 Å²	23	88.1 Å²	88.1	12%	0.118	39%	0.394	C	S	.	.	S	Bend	trans	-84.3	151.5	173.4	178.2	165.1	0	0	0	110.9	F547 L548 F663 E670 L674	F547-I666 HydrophobicContact CE1-CD1 4.23Å; L548-I666 HydrophobicContact CD2-CD1 4.01Å; F663-I666 HydrophobicContact CB-CG2 4.08Å; F663-I666 VanDerWaalsContact O-CG2 3.3Å; F663-I666 WeakPolarHBondContact O-CG2 3.34Å; I666-E670 HydrophobicContact CD1-CB 3.78Å; I666-E670 HydrophobicContact CG1-CB 3.67Å; I666-L674 HydrophobicContact CD1-CD2 4.12Å
667	E	93.4	Very high	94.6	Very high	134 Å²	134	78.6 Å²	78.6	63%	0.626	36%	0.361	S	S	*	.			trans	-67.2	151.8	179.6	-70.5	-149.9	167.2	0	0	113	N669 E670 Y671	E667-N669 PolarHBondContact O-N 3.48Å; E667-N669 VanDerWaalsContact O-N 3.14Å; E667-E670 HydrophobicContact CB-CG 4.3Å; E667-E670 WeakPolarHBondContact CB-OE2 3.35Å; E667-E670 PolarHBondContact N-OE2 2.98Å; E667-E670 PolarHBondContact O-N 3.04Å; E667-Y671 WeakPolarHBondContact O-CB 3.47Å; E667-Y671 PolarHBondContact O-N 2.71Å
668	R	92	Very high	95	Very high	220 Å²	220	75.2 Å²	75.2	83%	0.83	34%	0.343	S	S	*	.	H	α-helix	trans	-58.6	-31.3	-176.8	-174.4	177.1	-179	-175	1	113.7	R672	R668-R672 WeakPolarHBondContact O-CB 3.33Å; R668-R672 PolarHBondContact O-N 2.97Å
669	N	92	Very high	95.4	Very high	116 Å²	116	72.2 Å²	72.2	62%	0.62	33%	0.327	S	S	*	.	H	α-helix	trans	-77.2	-45.5	178.7	-69	-25.9	0	0	0	111.2	E667 R672 S673	E667-N669 PolarHBondContact O-N 3.48Å; E667-N669 VanDerWaalsContact O-N 3.14Å; N669-R672 WeakPolarHBondContact O-CB 3.33Å; N669-R672 PolarHBondContact O-N 3.11Å; N669-R672 VanDerWaalsContact O-N 3.16Å; N669-S673 PolarHBondContact O-N 2.76Å; N669-S673 PolarHBondContact O-OG 2.87Å
670	E	92.6	Very high	95.7	Very high	85 Å²	85	67 Å²	67	40%	0.397	31%	0.306	S	S	.	.	H	α-helix	trans	-64.7	-45.1	177.2	-58.6	177.7	117.3	0	0	111.3	I666 E667 R672 S673 L674	I666-E670 HydrophobicContact CD1-CB 3.78Å; I666-E670 HydrophobicContact CG1-CB 3.67Å; E667-E670 HydrophobicContact CB-CG 4.3Å; E667-E670 WeakPolarHBondContact CB-OE2 3.35Å; E667-E670 PolarHBondContact N-OE2 2.98Å; E667-E670 PolarHBondContact O-N 3.04Å; E670-R672 PolarHBondContact O-N 2.86Å; E670-S673 PolarHBondContact O-N 2.93Å; E670-S673 VanDerWaalsContact O-N 3.12Å; E670-L674 VanDerWaalsContact O-CB 3.32Å; E670-L674 WeakPolarHBondContact O-CB 3.48Å; E670-L674 PolarHBondContact O-N 2.91Å
671	Y	95.6	Very high	95.9	Very high	56 Å²	56	66.8 Å²	66.8	22%	0.22	30%	0.304	C	S	.	.	H	α-helix	trans	-55.9	-38.9	171.8	171	-115.5	0	0	0	112	F651 F663 E667 R675	F651-Y671 HydrophobicContact CE1-CE2 4.17Å; F663-Y671 HydrophobicContact CB-CD2 3.72Å; F663-Y671 HydrophobicContact CB-CE2 3.84Å; F663-Y671 HydrophobicContact CD1-CD2 4.21Å; F663-Y671 HydrophobicContact CD1-CE2 4.43Å; F663-Y671 HydrophobicContact CD2-CD2 4.32Å; F663-Y671 AromaticContact CD2-CE2 3.76Å; F663-Y671 HydrophobicContact CD2-CE2 3.76Å; F663-Y671 HydrophobicContact CE2-CE2 4.45Å; F663-Y671 AromaticContact CG-CD2 3.83Å; F663-Y671 HydrophobicContact CG-CD2 3.83Å; F663-Y671 AromaticContact CG-CE2 3.75Å; F663-Y671 HydrophobicContact CG-CE2 3.75Å; E667-Y671 WeakPolarHBondContact O-CB 3.47Å; E667-Y671 PolarHBondContact O-N 2.71Å; Y671-R675 HydrophobicContact CE2-CB 4.22Å; Y671-R675 WeakPolarHBondContact O-CB 3.28Å; Y671-R675 PolarHBondContact O-N 3.2Å; Y671-R675 PolarHBondContact OH-NH1 3.14Å
672	R	94.6	Very high	96	Very high	190 Å²	190	65.7 Å²	65.7	72%	0.717	30%	0.298	S	S	*	.	H	α-helix	trans	-65.5	-44.2	176.9	-175.2	-178	179.4	-170.2	-1.7	111.5	R668 N669 E670 Q676	R668-R672 WeakPolarHBondContact O-CB 3.33Å; R668-R672 PolarHBondContact O-N 2.97Å; N669-R672 WeakPolarHBondContact O-CB 3.33Å; N669-R672 PolarHBondContact O-N 3.11Å; N669-R672 VanDerWaalsContact O-N 3.16Å; E670-R672 PolarHBondContact O-N 2.86Å; R672-Q676 WeakPolarHBondContact O-CB 3.25Å; R672-Q676 PolarHBondContact O-N 2.85Å
673	S	94.2	Very high	96	Very high	71 Å²	71	68.2 Å²	68.2	50%	0.497	31%	0.311	S	S	.	.	H	α-helix	trans	-65.6	-47.8	177.2	-61.6	0	0	0	0	111.9	N669 E670 Q676 A677	N669-S673 PolarHBondContact O-N 2.76Å; N669-S673 PolarHBondContact O-OG 2.87Å; E670-S673 PolarHBondContact O-N 2.93Å; E670-S673 VanDerWaalsContact O-N 3.12Å; S673-Q676 PolarHBondContact O-N 2.98Å; S673-A677 PolarHBondContact O-N 2.93Å
674	L	97.3	Very high	96	Very high	1 Å²	1	67.6 Å²	67.6	1%	0.005	31%	0.308	C	S	.	.	H	α-helix	trans	-60	-48.6	177	178.8	63.2	0	0	0	111.4	L548 I601 V604 A605 I608 F663 I666 E670 Q676 A677 V678	L548-L674 HydrophobicContact CD2-CD2 3.59Å; I601-L674 HydrophobicContact CD1-CB 4.27Å; I601-L674 HydrophobicContact CG1-CB 4.25Å; I601-L674 HydrophobicContact CG1-CD1 4.24Å; V604-L674 HydrophobicContact CB-CD1 4.44Å; V604-L674 HydrophobicContact CG1-CD1 3.99Å; V604-L674 HydrophobicContact CG1-CD2 4.34Å; A605-L674 HydrophobicContact CB-CD1 3.8Å; I608-L674 HydrophobicContact CD1-CD2 4.5Å; F663-L674 HydrophobicContact CD1-CD2 4Å; F663-L674 HydrophobicContact CE1-CD2 3.68Å; I666-L674 HydrophobicContact CD1-CD2 4.12Å; E670-L674 VanDerWaalsContact O-CB 3.32Å; E670-L674 WeakPolarHBondContact O-CB 3.48Å; E670-L674 PolarHBondContact O-N 2.91Å; L674-Q676 VanDerWaalsContact C-N 3.3Å; L674-Q676 PolarHBondContact O-N 2.82Å; L674-A677 PolarHBondContact O-N 2.84Å; L674-V678 HydrophobicContact CD1-CG2 4.38Å; L674-V678 WeakPolarHBondContact O-CG2 3.41Å; L674-V678 PolarHBondContact O-N 2.81Å
675	R	97.9	Very high	96.2	Very high	83 Å²	83	63.6 Å²	63.6	31%	0.313	29%	0.292	S	S	.	.	H	α-helix	trans	-56.9	-44.3	174.5	178.2	-174.8	178.2	83.1	14.1	111.4	F651 Y671 A677 V678 I679	F651-R675 HydrophobicContact CE1-CB 4.24Å; F651-R675 HydrophobicContact CE1-CG 4Å; F651-R675 HydrophobicContact CE2-CG 4.06Å; F651-R675 HydrophobicContact CZ-CB 4.08Å; F651-R675 HydrophobicContact CZ-CG 3.76Å; Y671-R675 HydrophobicContact CE2-CB 4.22Å; Y671-R675 WeakPolarHBondContact O-CB 3.28Å; Y671-R675 PolarHBondContact O-N 3.2Å; Y671-R675 PolarHBondContact OH-NH1 3.14Å; R675-A677 VanDerWaalsContact C-N 3.35Å; R675-V678 PolarHBondContact O-N 2.86Å; R675-I679 HydrophobicContact CG-CD1 3.74Å; R675-I679 HydrophobicContact CG-CG1 4.45Å; R675-I679 WeakPolarHBondContact O-CB 3.43Å; R675-I679 VanDerWaalsContact O-CG1 3.27Å; R675-I679 WeakPolarHBondContact O-CG1 3.21Å; R675-I679 PolarHBondContact O-N 3.07Å
676	Q	97.4	Very high	96.1	Very high	115 Å²	115	59.4 Å²	59.4	54%	0.537	27%	0.272	S	S	.	.	H	α-helix	trans	-64.8	-39.8	179.8	-174.5	59.5	75	0	0	111.6	R672 S673 L674 D680	R672-Q676 WeakPolarHBondContact O-CB 3.25Å; R672-Q676 PolarHBondContact O-N 2.85Å; S673-Q676 PolarHBondContact O-N 2.98Å; L674-Q676 VanDerWaalsContact C-N 3.3Å; L674-Q676 PolarHBondContact O-N 2.82Å; Q676-D680 VanDerWaalsContact O-CB 3.24Å; Q676-D680 WeakPolarHBondContact O-CB 3.38Å; Q676-D680 PolarHBondContact O-N 3.46Å
677	A	98.1	Very high	95.8	Very high	12 Å²	12	59.4 Å²	59.4	10%	0.099	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-45.2	176.1	0	0	0	0	0	112.4	A605 S673 L674 R675 I679 D680 M681	A605-A677 HydrophobicContact CB-CB 3.62Å; S673-A677 PolarHBondContact O-N 2.93Å; L674-A677 PolarHBondContact O-N 2.84Å; R675-A677 VanDerWaalsContact C-N 3.35Å; A677-I679 PolarHBondContact O-N 2.94Å; A677-D680 PolarHBondContact O-N 3.24Å; A677-M681 VanDerWaalsContact O-CG 3.3Å; A677-M681 WeakPolarHBondContact O-CG 3.41Å; A677-M681 PolarHBondContact O-N 2.87Å
678	V	98.8	Very high	95.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-60.1	-46.3	176.5	172.4	0	0	0	0	111.2	A605 I608 A609 V612 F651 L674 R675 D680 M681 V682	A605-V678 HydrophobicContact CB-CG2 4.19Å; I608-V678 HydrophobicContact CB-CG2 4.06Å; I608-V678 HydrophobicContact CG2-CG1 4.05Å; I608-V678 HydrophobicContact CG2-CG2 3.82Å; A609-V678 HydrophobicContact CB-CG1 4.43Å; V612-V678 HydrophobicContact CG2-CG1 4.48Å; F651-V678 HydrophobicContact CE2-CB 4.27Å; F651-V678 HydrophobicContact CE2-CG1 3.86Å; F651-V678 HydrophobicContact CZ-CB 4.03Å; F651-V678 HydrophobicContact CZ-CG1 3.92Å; L674-V678 HydrophobicContact CD1-CG2 4.38Å; L674-V678 WeakPolarHBondContact O-CG2 3.41Å; L674-V678 PolarHBondContact O-N 2.81Å; R675-V678 PolarHBondContact O-N 2.86Å; V678-D680 PolarHBondContact O-N 3.04Å; V678-M681 PolarHBondContact O-N 3.31Å; V678-V682 WeakPolarHBondContact O-CG2 3.44Å; V678-V682 PolarHBondContact O-N 2.75Å
679	I	98.4	Very high	94.9	Very high	34 Å²	34	48.1 Å²	48.1	17%	0.174	23%	0.232	C	C	.	.	H	α-helix	trans	-63.9	-41.4	177.8	-67.6	171.5	0	0	0	111.2	A647 F651 R675 A677 M681 V682 L683	A647-I679 HydrophobicContact CB-CG1 4.46Å; F651-I679 HydrophobicContact CD2-CG1 4.36Å; F651-I679 HydrophobicContact CE2-CD1 4.29Å; F651-I679 HydrophobicContact CE2-CG1 3.85Å; R675-I679 HydrophobicContact CG-CD1 3.74Å; R675-I679 HydrophobicContact CG-CG1 4.45Å; R675-I679 WeakPolarHBondContact O-CB 3.43Å; R675-I679 VanDerWaalsContact O-CG1 3.27Å; R675-I679 WeakPolarHBondContact O-CG1 3.21Å; R675-I679 PolarHBondContact O-N 3.07Å; A677-I679 PolarHBondContact O-N 2.94Å; I679-M681 VanDerWaalsContact C-N 3.32Å; I679-M681 PolarHBondContact O-N 2.76Å; I679-V682 PolarHBondContact O-N 2.71Å; I679-L683 HydrophobicContact CG2-CD1 3.7Å; I679-L683 HydrophobicContact CG2-CG 4.23Å; I679-L683 WeakPolarHBondContact O-CB 3.35Å; I679-L683 WeakPolarHBondContact O-CG 3.07Å; I679-L683 PolarHBondContact O-N 3.35Å
680	D	98.5	Very high	94.7	Very high	32 Å²	32	42.8 Å²	42.8	17%	0.171	20%	0.203	C	C	.	.	H	α-helix	trans	-63.6	-37.5	178.5	-169.2	87	0	0	0	112.4	Q676 A677 V678 A684 I731 R735	Q676-D680 VanDerWaalsContact O-CB 3.24Å; Q676-D680 WeakPolarHBondContact O-CB 3.38Å; Q676-D680 PolarHBondContact O-N 3.46Å; A677-D680 PolarHBondContact O-N 3.24Å; V678-D680 PolarHBondContact O-N 3.04Å; D680-A684 VanDerWaalsContact O-CB 3.3Å; D680-A684 WeakPolarHBondContact O-CB 3.49Å; D680-A684 PolarHBondContact O-N 3.38Å; D680-I731 WeakPolarHBondContact OD2-CG2 3.13Å; D680-R735 IonicContact OD1-CZ 3.58Å; D680-R735 IonicContact OD1-NE 2.8Å; D680-R735 IonicContact OD1-NH2 3.34Å; D680-R735 PolarHBondContact OD1-NH2 3.33Å; D680-R735 IonicContact OD2-CZ 3.87Å; D680-R735 IonicContact OD2-NE 3.6Å; D680-R735 PolarHBondContact OD2-NE 3.04Å; D680-R735 IonicContact OD2-NH2 2.96Å; D680-R735 PolarHBondContact OD2-NH2 3.1Å
681	M	98.8	Very high	94.5	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-72.9	-41.8	177.1	-70	-178.2	70.1	0	0	112.9	A605 A606 A609 A677 V678 I679 A684 K734 I738	A605-M681 HydrophobicContact CB-SD 4.45Å; A606-M681 HydrophobicContact CB-CE 3.6Å; A606-M681 HydrophobicContact CB-SD 4.13Å; A609-M681 HydrophobicContact CB-CB 3.71Å; A609-M681 HydrophobicContact CB-CE 4.34Å; A609-M681 HydrophobicContact CB-SD 4.32Å; A677-M681 VanDerWaalsContact O-CG 3.3Å; A677-M681 WeakPolarHBondContact O-CG 3.41Å; A677-M681 PolarHBondContact O-N 2.87Å; V678-M681 PolarHBondContact O-N 3.31Å; I679-M681 VanDerWaalsContact C-N 3.32Å; I679-M681 PolarHBondContact O-N 2.76Å; M681-A684 WeakPolarHBondContact O-CB 3.38Å; M681-A684 PolarHBondContact O-N 2.99Å; M681-K734 HydrophobicContact CE-CB 4.08Å; M681-K734 HydrophobicContact CE-CG 4.4Å; M681-K734 WeakPolarHBondContact CE-O 3.22Å; M681-K734 HydrophobicContact CG-CB 4.02Å; M681-K734 HydrophobicContact SD-CB 3.77Å; M681-K734 HydrophobicContact SD-CD 3.8Å; M681-K734 HydrophobicContact SD-CG 3.89Å; M681-I738 HydrophobicContact CB-CG2 4.19Å; M681-I738 HydrophobicContact CE-CB 3.73Å; M681-I738 HydrophobicContact CE-CG1 4.49Å; M681-I738 HydrophobicContact CE-CG2 4.06Å
682	V	98.8	Very high	94.1	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.2	-44.1	176.1	176.2	0	0	0	0	110.8	A609 V612 H613 E643 H646 A647 V678 I679 A684 T685	A609-V682 HydrophobicContact CB-CG2 4.18Å; V612-V682 HydrophobicContact CG2-CG2 4.27Å; H613-V682 HydrophobicContact CB-CG1 4.48Å; H613-V682 HydrophobicContact CB-CG2 4.2Å; E643-V682 WeakPolarHBondContact O-CG1 3.43Å; H646-V682 HydrophobicContact CB-CG1 4.21Å; A647-V682 HydrophobicContact CB-CB 4.35Å; A647-V682 HydrophobicContact CB-CG1 4.07Å; V678-V682 WeakPolarHBondContact O-CG2 3.44Å; V678-V682 PolarHBondContact O-N 2.75Å; I679-V682 PolarHBondContact O-N 2.71Å; V682-A684 PolarHBondContact O-N 3.15Å; V682-A684 VanDerWaalsContact O-N 3.08Å; V682-T685 PolarHBondContact O-N 2.95Å; V682-T685 VanDerWaalsContact O-N 3.12Å; V682-T685 PolarHBondContact O-OG1 3.44Å
683	L	97.9	Very high	93.9	Very high	53 Å²	53	30.7 Å²	30.7	28%	0.277	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-6.2	175.4	-67.5	177.2	0	0	0	114.3	E643 I679	E643-L683 HydrophobicContact CB-CD2 3.99Å; I679-L683 HydrophobicContact CG2-CD1 3.7Å; I679-L683 HydrophobicContact CG2-CG 4.23Å; I679-L683 WeakPolarHBondContact O-CB 3.35Å; I679-L683 WeakPolarHBondContact O-CG 3.07Å; I679-L683 PolarHBondContact O-N 3.35Å
684	A	97.6	Very high	93.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-12.7	174	0	0	0	0	0	113.3	D680 M681 V682 E686 R735 K739	D680-A684 VanDerWaalsContact O-CB 3.3Å; D680-A684 WeakPolarHBondContact O-CB 3.49Å; D680-A684 PolarHBondContact O-N 3.38Å; M681-A684 WeakPolarHBondContact O-CB 3.38Å; M681-A684 PolarHBondContact O-N 2.99Å; V682-A684 PolarHBondContact O-N 3.15Å; V682-A684 VanDerWaalsContact O-N 3.08Å; A684-E686 VanDerWaalsContact C-N 3.27Å; A684-E686 PolarHBondContact O-N 3.38Å; A684-R735 HydrophobicContact CB-CB 4.06Å; A684-R735 HydrophobicContact CB-CG 3.68Å; A684-K739 WeakPolarHBondContact O-CD 3.39Å; A684-K739 WeakPolarHBondContact O-CE 3.17Å; A684-K739 VanDerWaalsContact O-CG 3.31Å; A684-K739 WeakPolarHBondContact O-CG 3.41Å; A684-K739 PolarHBondContact O-NZ 3.23Å
685	T	97.9	Very high	93.2	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.043	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-33.8	174	59.6	0	0	0	0	111.3	H613 V682 M687 I738 K739	H613-T685 HydrophobicContact CB-CG2 4.2Å; V682-T685 PolarHBondContact O-N 2.95Å; V682-T685 VanDerWaalsContact O-N 3.12Å; V682-T685 PolarHBondContact O-OG1 3.44Å; T685-M687 PolarHBondContact O-N 3.38Å; T685-I738 HydrophobicContact CG2-CG1 4.1Å; T685-K739 VanDerWaalsContact C-NZ 3.31Å; T685-K739 PolarHBondContact O-NZ 3.39Å
686	E	92.6	Very high	92.8	Very high	15 Å²	15	29.4 Å²	29.4	7%	0.07	15%	0.147	C	C	.	.			trans	-40.2	122.6	178.6	-170.3	-177	176.3	0	0	112.9	A640 E643 A684 T688 K689 K739	A640-E686 WeakPolarHBondContact CB-OE2 3.38Å; E643-E686 HydrophobicContact CG-CB 3.91Å; E643-E686 WeakPolarHBondContact OE1-CA 3.48Å; E643-E686 WeakPolarHBondContact OE1-CB 3.4Å; E643-E686 WeakPolarHBondContact OE1-CG 3.33Å; A684-E686 VanDerWaalsContact C-N 3.27Å; A684-E686 PolarHBondContact O-N 3.38Å; E686-T688 HydrophobicContact CG-CG2 4.13Å; E686-T688 WeakPolarHBondContact CG-OG1 3.11Å; E686-T688 PolarHBondContact O-N 3.12Å; E686-T688 WeakPolarHBondContact OE1-CG2 3.21Å; E686-T688 PolarHBondContact OE1-OG1 2.88Å; E686-K689 PolarHBondContact O-N 3.24Å; E686-K689 IonicContact OE2-NZ 3.27Å; E686-K689 PolarHBondContact OE2-NZ 2.89Å; E686-K739 PolarHBondContact O-NZ 2.76Å; E686-K739 VanDerWaalsContact O-NZ 3.14Å
687	M	86.6	Confident	92.7	Very high	23 Å²	23	24 Å²	24	11%	0.113	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-75.9	-22.4	-173.5	-75.1	-63.8	-75.8	0	0	113.5	L465 M466 T685 K689 H690 I743 F801	L465-M687 HydrophobicContact CB-CB 4.24Å; L465-M687 HydrophobicContact CD1-CE 4.47Å; M466-M687 WeakPolarHBondContact CE-O 3.2Å; T685-M687 PolarHBondContact O-N 3.38Å; M687-K689 PolarHBondContact O-N 3.16Å; M687-H690 HydrophobicContact CE-CB 4.34Å; M687-H690 WeakPolarHBondContact O-CB 3.44Å; M687-H690 PolarHBondContact O-N 3.07Å; M687-H690 HydrophobicContact SD-CB 4.18Å; M687-I743 HydrophobicContact CE-CD1 4.18Å; M687-I743 HydrophobicContact SD-CD1 4.37Å; M687-F801 HydrophobicContact CE-CB 4.5Å; M687-F801 HydrophobicContact CE-CD1 3.55Å; M687-F801 HydrophobicContact CE-CE1 3.74Å; M687-F801 HydrophobicContact CE-CG 3.97Å; M687-F801 HydrophobicContact CE-CZ 4.31Å
688	T	82.4	Confident	92.3	Very high	54 Å²	54	25 Å²	25	33%	0.331	13%	0.127	S	C	.	.	G	3₁₀ helix	trans	-55.6	-35	171.6	71.4	0	0	0	0	111.9	E686	E686-T688 HydrophobicContact CG-CG2 4.13Å; E686-T688 WeakPolarHBondContact CG-OG1 3.11Å; E686-T688 PolarHBondContact O-N 3.12Å; E686-T688 WeakPolarHBondContact OE1-CG2 3.21Å; E686-T688 PolarHBondContact OE1-OG1 2.88Å
689	K	84.3	Confident	91.9	Very high	63 Å²	63	27.1 Å²	27.1	27%	0.274	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-91.1	4.5	179.4	-54.7	-159.7	-171	79.3	0	114.4	E686 M687 F691 E692 H693	E686-K689 PolarHBondContact O-N 3.24Å; E686-K689 IonicContact OE2-NZ 3.27Å; E686-K689 PolarHBondContact OE2-NZ 2.89Å; M687-K689 PolarHBondContact O-N 3.16Å; K689-F691 PolarHBondContact O-N 3.27Å; K689-E692 WeakPolarHBondContact O-CB 3.32Å; K689-E692 PolarHBondContact O-N 3.09Å; K689-E692 VanDerWaalsContact O-N 3.07Å; K689-H693 PolarHBondContact O-N 2.94Å; K689-H693 VanDerWaalsContact O-N 3.12Å
690	H	89.5	Confident	91.4	Very high	3 Å²	3	27.8 Å²	27.8	1%	0.014	15%	0.146	C	C	.	.	H	α-helix	trans	-50	-58.7	-173.1	175.7	100.7	0	0	0	112.8	M466 M687 E692 H693 V694 F801	M466-H690 HydrophobicContact CE-CB 4.36Å; M687-H690 HydrophobicContact CE-CB 4.34Å; M687-H690 WeakPolarHBondContact O-CB 3.44Å; M687-H690 PolarHBondContact O-N 3.07Å; M687-H690 HydrophobicContact SD-CB 4.18Å; H690-E692 VanDerWaalsContact C-N 3.28Å; H690-E692 PolarHBondContact O-N 3.07Å; H690-H693 PolarHBondContact O-N 3.01Å; H690-V694 WeakPolarHBondContact O-CG2 3.44Å; H690-V694 PolarHBondContact O-N 3.48Å; H690-V694 VanDerWaalsContact O-N 3.08Å; H690-F801 AromaticContact CD2-CD1 3.86Å; H690-F801 PolarHBondContact CE1-O 2.92Å; H690-F801 AromaticContact CG-CD1 3.98Å; H690-F801 AromaticContact NE2-CD1 3.99Å; H690-F801 PolarHBondContact NE2-O 3.46Å
691	F	86.4	Confident	91.1	Very high	38 Å²	38	26.3 Å²	26.3	17%	0.167	14%	0.138	C	C	.	.	H	α-helix	trans	-66.7	-27.7	-178.7	-64.7	-59.5	0	0	0	113.5	P447 M466 K689 N695 Y800 F801	P447-F691 HydrophobicContact CG-CD2 4.22Å; M466-F691 HydrophobicContact CE-CD2 3.83Å; M466-F691 HydrophobicContact CE-CE2 3.84Å; M466-F691 HydrophobicContact SD-CE2 4.16Å; K689-F691 PolarHBondContact O-N 3.27Å; F691-N695 WeakPolarHBondContact O-CB 3.2Å; F691-N695 PolarHBondContact O-N 2.78Å; F691-N695 PolarHBondContact O-ND2 2.97Å; F691-Y800 HydrophobicContact CE2-CD1 4.46Å; F691-Y800 AromaticContact CE2-CE1 3.61Å; F691-Y800 HydrophobicContact CE2-CE1 3.61Å; F691-Y800 AromaticContact CZ-CD1 3.89Å; F691-Y800 HydrophobicContact CZ-CD1 3.89Å; F691-Y800 AromaticContact CZ-CE1 3.43Å; F691-Y800 HydrophobicContact CZ-CE1 3.43Å; F691-Y800 VanDerWaalsContact CZ-CE1 3.43Å; F691-F801 HydrophobicContact CE2-CE1 4.43Å; F691-F801 HydrophobicContact CZ-CD1 4.35Å; F691-F801 HydrophobicContact CZ-CE1 4.38Å
692	E	87.4	Confident	90.7	Very high	32 Å²	32	27.5 Å²	27.5	15%	0.15	14%	0.144	C	C	.	.	H	α-helix	trans	-65.7	-45.1	177.6	-173.4	-121.9	105.9	0	0	110.6	K689 H690 K696	K689-E692 WeakPolarHBondContact O-CB 3.32Å; K689-E692 PolarHBondContact O-N 3.09Å; K689-E692 VanDerWaalsContact O-N 3.07Å; H690-E692 VanDerWaalsContact C-N 3.28Å; H690-E692 PolarHBondContact O-N 3.07Å; E692-K696 VanDerWaalsContact CD-NZ 3.31Å; E692-K696 HydrophobicContact CG-CD 4.41Å; E692-K696 WeakPolarHBondContact O-CB 3.38Å; E692-K696 VanDerWaalsContact O-CG 3.29Å; E692-K696 WeakPolarHBondContact O-CG 3.47Å; E692-K696 PolarHBondContact O-N 3.4Å; E692-K696 WeakPolarHBondContact OE1-CD 3.4Å; E692-K696 WeakPolarHBondContact OE1-CE 3.38Å; E692-K696 IonicContact OE1-NZ 2.75Å; E692-K696 PolarHBondContact OE1-NZ 3.49Å
693	H	91.1	Very high	90.2	Very high	7 Å²	7	33.1 Å²	33.1	3%	0.032	17%	0.169	C	C	.	.	H	α-helix	trans	-73.1	-42.3	-180	-63.2	-4.4	0	0	0	112.1	K689 H690 K696 F697 R735 K739	K689-H693 PolarHBondContact O-N 2.94Å; K689-H693 VanDerWaalsContact O-N 3.12Å; H690-H693 PolarHBondContact O-N 3.01Å; H693-K696 PolarHBondContact O-N 3.11Å; H693-F697 WeakPolarHBondContact O-CB 3.35Å; H693-F697 PolarHBondContact O-N 3.26Å; H693-R735 PolarHBondContact CE1-NH1 2.86Å; H693-K739 HydrophobicContact CB-CD 4.31Å
694	V	89.9	Confident	89.7	Confident	12 Å²	12	32.8 Å²	32.8	7%	0.073	17%	0.17	C	C	.	.	H	α-helix	trans	-62.7	-44.1	175.1	177.3	0	0	0	0	111.3	H690 K696 F697 V698 M736 M805	H690-V694 WeakPolarHBondContact O-CG2 3.44Å; H690-V694 PolarHBondContact O-N 3.48Å; H690-V694 VanDerWaalsContact O-N 3.08Å; V694-K696 PolarHBondContact O-N 2.83Å; V694-F697 PolarHBondContact O-N 3.1Å; V694-V698 HydrophobicContact CG1-CG2 4.38Å; V694-V698 WeakPolarHBondContact O-CG2 3.39Å; V694-V698 PolarHBondContact O-N 3.42Å; V694-M736 HydrophobicContact CG2-CE 4.42Å; V694-M736 HydrophobicContact CG2-SD 4.19Å; V694-M805 HydrophobicContact CG2-CB 4.23Å; V694-M805 HydrophobicContact CG2-CG 3.85Å; V694-M805 HydrophobicContact CG2-SD 4.35Å
695	N	86.9	Confident	89.2	Confident	54 Å²	54	33.1 Å²	33.1	29%	0.289	17%	0.172	S	C	.	.	H	α-helix	trans	-66.1	-38.4	176.8	-82.6	-77.8	0	0	0	112.6	Y445 F691 N699	Y445-N695 HydrophobicContact CD1-CB 4.12Å; Y445-N695 HydrophobicContact CG-CB 4.14Å; F691-N695 WeakPolarHBondContact O-CB 3.2Å; F691-N695 PolarHBondContact O-N 2.78Å; F691-N695 PolarHBondContact O-ND2 2.97Å; N695-N699 WeakPolarHBondContact O-CB 3.28Å; N695-N699 PolarHBondContact O-N 3.07Å; N695-N699 PolarHBondContact O-ND2 3.38Å
696	K	89.5	Confident	88.6	Confident	62 Å²	62	34.3 Å²	34.3	27%	0.27	18%	0.182	S	C	.	.	H	α-helix	trans	-63.5	-43.3	174.6	-75.9	174.1	-178.4	174	0	111	E692 H693 V694 S700 L732	E692-K696 VanDerWaalsContact CD-NZ 3.31Å; E692-K696 HydrophobicContact CG-CD 4.41Å; E692-K696 WeakPolarHBondContact O-CB 3.38Å; E692-K696 VanDerWaalsContact O-CG 3.29Å; E692-K696 WeakPolarHBondContact O-CG 3.47Å; E692-K696 PolarHBondContact O-N 3.4Å; E692-K696 WeakPolarHBondContact OE1-CD 3.4Å; E692-K696 WeakPolarHBondContact OE1-CE 3.38Å; E692-K696 IonicContact OE1-NZ 2.75Å; E692-K696 PolarHBondContact OE1-NZ 3.49Å; H693-K696 PolarHBondContact O-N 3.11Å; V694-K696 PolarHBondContact O-N 2.83Å; K696-S700 WeakPolarHBondContact O-CB 3.49Å; K696-S700 PolarHBondContact O-N 3.48Å; K696-S700 PolarHBondContact O-OG 3.02Å; K696-L732 HydrophobicContact CB-CD1 4.35Å; K696-L732 HydrophobicContact CB-CD2 3.73Å
697	F	94.3	Very high	88.2	Confident	1 Å²	1	35.8 Å²	35.8	0%	0.004	20%	0.197	C	C	.	.	H	α-helix	trans	-59.9	-53.1	175	-176.5	-95.8	0	0	0	112.3	H693 V694 N699 S700 I701 N702 V733 M736 W809 F812	H693-F697 WeakPolarHBondContact O-CB 3.35Å; H693-F697 PolarHBondContact O-N 3.26Å; V694-F697 PolarHBondContact O-N 3.1Å; F697-N699 VanDerWaalsContact C-N 3.33Å; F697-N699 PolarHBondContact O-N 2.91Å; F697-S700 PolarHBondContact O-N 2.97Å; F697-I701 HydrophobicContact CD2-CB 4.24Å; F697-I701 HydrophobicContact CD2-CG1 3.67Å; F697-I701 HydrophobicContact CE2-CB 4.08Å; F697-I701 HydrophobicContact CE2-CG1 3.79Å; F697-I701 HydrophobicContact CE2-CG2 4.12Å; F697-I701 HydrophobicContact CG-CG1 4.28Å; F697-I701 HydrophobicContact CZ-CB 4.29Å; F697-I701 HydrophobicContact CZ-CG1 4.48Å; F697-I701 HydrophobicContact CZ-CG2 4.13Å; F697-I701 WeakPolarHBondContact O-CA 3.41Å; F697-I701 VanDerWaalsContact O-CB 3.25Å; F697-I701 WeakPolarHBondContact O-CB 3.39Å; F697-I701 WeakPolarHBondContact O-CG1 3.46Å; F697-I701 PolarHBondContact O-N 3.21Å; F697-N702 VanDerWaalsContact CE1-OD1 3.25Å; F697-N702 WeakPolarHBondContact CE1-OD1 3.46Å; F697-V733 HydrophobicContact CE2-CG2 4.12Å; F697-M736 HydrophobicContact CB-CB 4.42Å; F697-M736 HydrophobicContact CB-CG 4.37Å; F697-M736 HydrophobicContact CB-SD 3.99Å; F697-M736 HydrophobicContact CD1-CB 4.49Å; F697-M736 HydrophobicContact CD1-CE 3.97Å; F697-M736 HydrophobicContact CD1-CG 3.82Å; F697-M736 HydrophobicContact CD1-SD 3.91Å; F697-M736 HydrophobicContact CD2-CB 3.53Å; F697-M736 HydrophobicContact CD2-CG 3.77Å; F697-M736 HydrophobicContact CD2-SD 4.48Å; F697-M736 HydrophobicContact CE1-CE 4.35Å; F697-M736 HydrophobicContact CE1-CG 4Å; F697-M736 HydrophobicContact CE2-CB 3.85Å; F697-M736 HydrophobicContact CE2-CG 3.95Å; F697-M736 HydrophobicContact CG-CB 3.9Å; F697-M736 HydrophobicContact CG-CG 3.7Å; F697-M736 HydrophobicContact CG-SD 3.87Å; F697-M736 HydrophobicContact CZ-CB 4.45Å; F697-M736 HydrophobicContact CZ-CG 4.07Å; F697-W809 HydrophobicContact CE1-CE3 4.19Å; F697-W809 HydrophobicContact CE2-CE3 4.19Å; F697-W809 AromaticContact CE2-CZ3 3.86Å; F697-W809 HydrophobicContact CE2-CZ3 3.86Å; F697-W809 AromaticContact CZ-CE3 3.66Å; F697-W809 HydrophobicContact CZ-CE3 3.66Å; F697-W809 AromaticContact CZ-CZ3 3.71Å; F697-W809 HydrophobicContact CZ-CZ3 3.71Å; F697-F812 HydrophobicContact CE1-CB 4.26Å; F697-F812 HydrophobicContact CZ-CB 3.88Å; F697-F812 AromaticContact CZ-CD1 3.94Å; F697-F812 HydrophobicContact CZ-CD1 3.94Å; F697-F812 HydrophobicContact CZ-CD2 4.12Å; F697-F812 AromaticContact CZ-CG 3.72Å; F697-F812 HydrophobicContact CZ-CG 3.72Å
698	V	91.7	Very high	87.9	Confident	34 Å²	34	36.8 Å²	36.8	21%	0.206	20%	0.203	C	C	.	.	I	π-helix	trans	-60.7	-39.4	-179	169	0	0	0	0	112.6	V694 K703 A808	V694-V698 HydrophobicContact CG1-CG2 4.38Å; V694-V698 WeakPolarHBondContact O-CG2 3.39Å; V694-V698 PolarHBondContact O-N 3.42Å; V698-K703 WeakPolarHBondContact O-CG 3.49Å; V698-K703 PolarHBondContact O-N 2.92Å; V698-A808 HydrophobicContact CG2-CB 3.64Å
699	N	88.4	Confident	87.6	Confident	44 Å²	44	39.3 Å²	39.3	24%	0.235	21%	0.211	C	C	.	.	I	π-helix	trans	-82.4	-28.3	-176.5	-68.7	-61.7	0	0	0	114.1	N695 F697 K703 P704	N695-N699 WeakPolarHBondContact O-CB 3.28Å; N695-N699 PolarHBondContact O-N 3.07Å; N695-N699 PolarHBondContact O-ND2 3.38Å; F697-N699 VanDerWaalsContact C-N 3.33Å; F697-N699 PolarHBondContact O-N 2.91Å; N699-K703 PolarHBondContact OD1-NZ 3.16Å; N699-P704 WeakPolarHBondContact O-CD 3.3Å
700	S	89.3	Confident	87.1	Confident	49 Å²	49	42.4 Å²	42.4	34%	0.343	23%	0.226	S	C	.	.	I	π-helix	trans	-100.8	-21.7	-179.2	-60.5	0	0	0	0	114.7	K696 F697 P704	K696-S700 WeakPolarHBondContact O-CB 3.49Å; K696-S700 PolarHBondContact O-N 3.48Å; K696-S700 PolarHBondContact O-OG 3.02Å; F697-S700 PolarHBondContact O-N 2.97Å; S700-P704 WeakPolarHBondContact O-CG 3.43Å
701	I	91.3	Very high	85.9	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.005	26%	0.26	C	S	.	.	I	π-helix	trans	-107.7	-70.1	179.6	-47.3	-59.6	0	0	0	110.3	F697 K703 P704 L705 L724 N729 V733 F812	F697-I701 HydrophobicContact CD2-CB 4.24Å; F697-I701 HydrophobicContact CD2-CG1 3.67Å; F697-I701 HydrophobicContact CE2-CB 4.08Å; F697-I701 HydrophobicContact CE2-CG1 3.79Å; F697-I701 HydrophobicContact CE2-CG2 4.12Å; F697-I701 HydrophobicContact CG-CG1 4.28Å; F697-I701 HydrophobicContact CZ-CB 4.29Å; F697-I701 HydrophobicContact CZ-CG1 4.48Å; F697-I701 HydrophobicContact CZ-CG2 4.13Å; F697-I701 WeakPolarHBondContact O-CA 3.41Å; F697-I701 VanDerWaalsContact O-CB 3.25Å; F697-I701 WeakPolarHBondContact O-CB 3.39Å; F697-I701 WeakPolarHBondContact O-CG1 3.46Å; F697-I701 PolarHBondContact O-N 3.21Å; I701-K703 PolarHBondContact O-N 3.2Å; I701-P704 WeakPolarHBondContact O-CD 3.25Å; I701-L705 VanDerWaalsContact O-CB 3.26Å; I701-L705 WeakPolarHBondContact O-CB 3.44Å; I701-L705 PolarHBondContact O-N 3Å; I701-L724 HydrophobicContact CG2-CD2 4.47Å; I701-N729 HydrophobicContact CD1-CB 3.45Å; I701-N729 VanDerWaalsContact CD1-CB 3.45Å; I701-V733 HydrophobicContact CD1-CG2 4.32Å; I701-F812 HydrophobicContact CG2-CD2 3.63Å; I701-F812 HydrophobicContact CG2-CE2 3.55Å
702	N	91.2	Very high	84.3	Confident	25 Å²	25	50.2 Å²	50.2	13%	0.134	29%	0.286	C	S	.	.	I	π-helix	trans	-66.1	-44.4	-167	-68.8	10.8	0	0	0	113.2	F697 L705 A706 A808	F697-N702 VanDerWaalsContact CE1-OD1 3.25Å; F697-N702 WeakPolarHBondContact CE1-OD1 3.46Å; N702-L705 PolarHBondContact O-N 2.93Å; N702-A706 WeakPolarHBondContact O-CB 3.44Å; N702-A706 PolarHBondContact O-N 3.31Å; N702-A808 PolarHBondContact ND2-O 3.41Å
703	K	88.5	Confident	82.2	Confident	118 Å²	118	51.3 Å²	51.3	51%	0.513	31%	0.305	S	S	.	.	H	α-helix	trans	-65.5	-47	179.9	-73.6	177.7	-172.9	170.4	0	112.9	V698 N699 I701 A707	V698-K703 WeakPolarHBondContact O-CG 3.49Å; V698-K703 PolarHBondContact O-N 2.92Å; N699-K703 PolarHBondContact OD1-NZ 3.16Å; I701-K703 PolarHBondContact O-N 3.2Å; K703-A707 WeakPolarHBondContact O-CB 3.32Å; K703-A707 PolarHBondContact O-N 3.36Å; K703-A707 VanDerWaalsContact O-N 3.14Å
704	P	87.3	Confident	80.2	Confident	47 Å²	47	56.9 Å²	56.9	31%	0.305	35%	0.345	S	S	.	.	H	α-helix	trans	-60.3	-41.6	171.7	-29.2	38.4	0	0	0	113.7	N699 S700 I701 A707 L708	N699-P704 WeakPolarHBondContact O-CD 3.3Å; S700-P704 WeakPolarHBondContact O-CG 3.43Å; I701-P704 WeakPolarHBondContact O-CD 3.25Å; P704-A707 PolarHBondContact O-N 3.2Å; P704-L708 WeakPolarHBondContact O-CG 3.41Å; P704-L708 PolarHBondContact O-N 2.95Å; P704-L708 VanDerWaalsContact O-N 3.1Å
705	L	86.1	Confident	78.3	Confident	7 Å²	7	59 Å²	59	4%	0.037	36%	0.36	C	S	.	.	H	α-helix	trans	-64.4	-49	-179.6	-174.3	61.6	0	0	0	111.7	I701 N702 A707 L708 E709 V720 F812	I701-L705 VanDerWaalsContact O-CB 3.26Å; I701-L705 WeakPolarHBondContact O-CB 3.44Å; I701-L705 PolarHBondContact O-N 3Å; N702-L705 PolarHBondContact O-N 2.93Å; L705-A707 VanDerWaalsContact C-N 3.29Å; L705-A707 PolarHBondContact O-N 3.46Å; L705-L708 PolarHBondContact O-N 3.39Å; L705-E709 WeakPolarHBondContact O-CG 3.15Å; L705-E709 PolarHBondContact O-N 2.96Å; L705-V720 HydrophobicContact CD1-CG1 3.71Å; L705-F812 HydrophobicContact CD2-CD2 4.35Å
706	A	86.1	Confident	77	Confident	32 Å²	32	61.2 Å²	61.2	26%	0.264	37%	0.372	S	S	.	.	H	α-helix	trans	-58.8	-39.8	176.1	0	0	0	0	0	112.2	N702 L708 E709 E710	N702-A706 WeakPolarHBondContact O-CB 3.44Å; N702-A706 PolarHBondContact O-N 3.31Å; A706-L708 VanDerWaalsContact C-N 3.3Å; A706-L708 PolarHBondContact O-N 2.66Å; A706-E709 PolarHBondContact O-N 3.21Å; A706-E710 WeakPolarHBondContact O-CB 3.49Å; A706-E710 WeakPolarHBondContact O-CG 3.4Å; A706-E710 PolarHBondContact O-N 3.33Å
707	A	83.6	Confident	75.8	Confident	45 Å²	45	66.6 Å²	66.6	37%	0.372	40%	0.398	S	S	.	.	H	α-helix	trans	-66.6	-27.8	176.1	0	0	0	0	0	113.5	K703 P704 L705 N711	K703-A707 WeakPolarHBondContact O-CB 3.32Å; K703-A707 PolarHBondContact O-N 3.36Å; K703-A707 VanDerWaalsContact O-N 3.14Å; P704-A707 PolarHBondContact O-N 3.2Å; L705-A707 VanDerWaalsContact C-N 3.29Å; L705-A707 PolarHBondContact O-N 3.46Å; A707-N711 PolarHBondContact O-ND2 3.04Å
708	L	80.4	Confident	74.6	Confident	45 Å²	45	74.2 Å²	74.2	24%	0.236	43%	0.434	C	S	.	.	H	α-helix	trans	-78.2	-29.5	173.5	-69.9	169.3	0	0	0	112.6	P704 L705 A706 S715 T719 V720 V723	P704-L708 WeakPolarHBondContact O-CG 3.41Å; P704-L708 PolarHBondContact O-N 2.95Å; P704-L708 VanDerWaalsContact O-N 3.1Å; L705-L708 PolarHBondContact O-N 3.39Å; A706-L708 VanDerWaalsContact C-N 3.3Å; A706-L708 PolarHBondContact O-N 2.66Å; L708-S715 PolarHBondContact O-OG 3.27Å; L708-S715 VanDerWaalsContact O-OG 3.14Å; L708-T719 HydrophobicContact CD1-CG2 4.4Å; L708-T719 HydrophobicContact CD2-CG2 4.15Å; L708-V720 HydrophobicContact CD1-CG2 4.4Å; L708-V723 HydrophobicContact CD1-CG2 4.19Å
709	E	76.6	Confident	73.7	Confident	107 Å²	107	75.4 Å²	75.4	50%	0.5	44%	0.441	S	S	.	.	H	α-helix	trans	-79.9	-37.5	177.1	-68.1	177.6	170.2	0	0	111.9	R593 L705 A706 N711	R593-E709 IonicContact CZ-OE1 2.77Å; R593-E709 IonicContact NH1-OE1 3.23Å; R593-E709 IonicContact NH2-OE1 2.68Å; R593-E709 PolarHBondContact NH2-OE1 2.82Å; L705-E709 WeakPolarHBondContact O-CG 3.15Å; L705-E709 PolarHBondContact O-N 2.96Å; A706-E709 PolarHBondContact O-N 3.21Å; E709-N711 VanDerWaalsContact C-N 3.34Å; E709-N711 PolarHBondContact O-N 3.09Å
710	E	73.4	Confident	73.2	Confident	128 Å²	128	74.4 Å²	74.4	60%	0.598	44%	0.437	S	S	*	.	H	α-helix	trans	-65.7	-30	175.9	-79	-176.2	-173.7	0	0	113.9	H402 A706 G712	H402-E710 IonicContact CE1-OE1 3.22Å; H402-E710 IonicContact NE2-OE1 3.45Å; A706-E710 WeakPolarHBondContact O-CB 3.49Å; A706-E710 WeakPolarHBondContact O-CG 3.4Å; A706-E710 PolarHBondContact O-N 3.33Å; E710-G712 PolarHBondContact O-N 3.16Å
711	N	64	Low	72.7	Confident	137 Å²	137	78 Å²	78	73%	0.733	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	0.8	-176.5	-85.1	-68.2	0	0	0	114.8	A707 E709 G713	A707-N711 PolarHBondContact O-ND2 3.04Å; E709-N711 VanDerWaalsContact C-N 3.34Å; E709-N711 PolarHBondContact O-N 3.09Å; N711-G713 PolarHBondContact O-N 3.2Å
712	G	53.3	Low	72.1	Confident	68 Å²	68	81.8 Å²	81.8	70%	0.701	47%	0.473	S	S	*	.			trans	62.8	43.4	140.3	0	0	0	0	0	118.8	E710	E710-G712 PolarHBondContact O-N 3.16Å
713	G	43.2	Very low	71.6	Confident	54 Å²	54	82.6 Å²	82.6	56%	0.557	48%	0.478	S	S	*	.	S	Bend	trans	-171.7	77	175.4	0	0	0	0	0	115.3	N711 S715	N711-G713 PolarHBondContact O-N 3.2Å; G713-S715 PolarHBondContact O-N 3.5Å; G713-S715 VanDerWaalsContact O-N 3.12Å
714	S	49.7	Very low	71.3	Confident	125 Å²	125	77.1 Å²	77.1	87%	0.874	46%	0.455	S	S	*	.			trans	43.8	45.3	179.4	62.1	0	0	0	0	113.4	D716	S714-D716 PolarHBondContact O-N 3.37Å
715	S	50.4	Low	71.2	Confident	55 Å²	55	77.1 Å²	77.1	39%	0.385	45%	0.454	S	S	.	.			trans	-59.2	129	174.6	17.2	0	0	0	0	109.1	L708 G713 E717	L708-S715 PolarHBondContact O-OG 3.27Å; L708-S715 VanDerWaalsContact O-OG 3.14Å; G713-S715 PolarHBondContact O-N 3.5Å; G713-S715 VanDerWaalsContact O-N 3.12Å; S715-E717 PolarHBondContact O-N 3.3Å
716	D	59.2	Low	71.3	Confident	102 Å²	102	78.2 Å²	78.2	55%	0.545	46%	0.462	S	S	.	.			trans	-55.5	129.1	-166.2	-54.9	-72.8	0	0	0	112.2	S714 E718 T719 V720	S714-D716 PolarHBondContact O-N 3.37Å; D716-E718 HydrophobicContact CB-CB 4.26Å; D716-E718 PolarHBondContact O-N 2.95Å; D716-E718 VanDerWaalsContact O-N 3.14Å; D716-T719 WeakPolarHBondContact O-CA 3.33Å; D716-T719 WeakPolarHBondContact O-CB 3.27Å; D716-T719 PolarHBondContact O-N 3.05Å; D716-V720 PolarHBondContact O-N 3.35Å; D716-V720 VanDerWaalsContact O-N 3.13Å
717	E	63.9	Low	71.5	Confident	175 Å²	175	80.3 Å²	80.3	82%	0.818	47%	0.473	S	S	*	.	H	α-helix	trans	-52.3	-33.8	166.1	-72.5	-173.7	133.9	0	0	110.5	S715 V720 K721	S715-E717 PolarHBondContact O-N 3.3Å; E717-V720 PolarHBondContact O-N 2.73Å; E717-K721 WeakPolarHBondContact O-CB 3.48Å; E717-K721 PolarHBondContact O-N 3.08Å
718	E	68.6	Low	71.8	Confident	160 Å²	160	84.1 Å²	84.1	75%	0.748	48%	0.483	S	S	*	.	H	α-helix	trans	-64.7	-34.7	175.8	-167.2	162	-154.4	0	0	112.9	D716 S722	D716-E718 HydrophobicContact CB-CB 4.26Å; D716-E718 PolarHBondContact O-N 2.95Å; D716-E718 VanDerWaalsContact O-N 3.14Å; E718-S722 WeakPolarHBondContact O-CB 3.25Å; E718-S722 PolarHBondContact O-N 2.86Å
719	T	73.6	Confident	72.4	Confident	60 Å²	60	83 Å²	83	37%	0.368	48%	0.477	S	S	.	.	H	α-helix	trans	-71.6	-46.4	174	-68.9	0	0	0	0	111.2	L708 D716 K721 S722 V723	L708-T719 HydrophobicContact CD1-CG2 4.4Å; L708-T719 HydrophobicContact CD2-CG2 4.15Å; D716-T719 WeakPolarHBondContact O-CA 3.33Å; D716-T719 WeakPolarHBondContact O-CB 3.27Å; D716-T719 PolarHBondContact O-N 3.05Å; T719-K721 VanDerWaalsContact C-N 3.34Å; T719-K721 PolarHBondContact O-N 3.41Å; T719-S722 PolarHBondContact O-N 3.41Å; T719-V723 PolarHBondContact O-N 3.28Å; T719-V723 VanDerWaalsContact O-N 3.12Å
720	V	77.3	Confident	73.2	Confident	22 Å²	22	80 Å²	80	13%	0.133	46%	0.461	C	S	.	.	H	α-helix	trans	-60.2	-46.6	175.7	172.2	0	0	0	0	110.4	L705 L708 D716 E717 S722 V723 L724	L705-V720 HydrophobicContact CD1-CG1 3.71Å; L708-V720 HydrophobicContact CD1-CG2 4.4Å; D716-V720 PolarHBondContact O-N 3.35Å; D716-V720 VanDerWaalsContact O-N 3.13Å; E717-V720 PolarHBondContact O-N 2.73Å; V720-S722 PolarHBondContact O-N 3.27Å; V720-V723 PolarHBondContact O-N 3.09Å; V720-L724 HydrophobicContact CG1-CD1 3.89Å; V720-L724 HydrophobicContact CG1-CG 4.48Å; V720-L724 WeakPolarHBondContact O-CG 3.37Å; V720-L724 PolarHBondContact O-N 3.25Å
721	K	78.2	Confident	74.3	Confident	126 Å²	126	76.9 Å²	76.9	55%	0.548	45%	0.448	S	S	.	.	H	α-helix	trans	-62.1	-42.8	177.5	-169.9	172.7	-173.1	174.6	0	112.1	E717 T719 V723 L724 T725	E717-K721 WeakPolarHBondContact O-CB 3.48Å; E717-K721 PolarHBondContact O-N 3.08Å; T719-K721 VanDerWaalsContact C-N 3.34Å; T719-K721 PolarHBondContact O-N 3.41Å; K721-V723 VanDerWaalsContact C-N 3.32Å; K721-V723 PolarHBondContact O-N 3.28Å; K721-L724 PolarHBondContact O-N 3.01Å; K721-L724 VanDerWaalsContact O-N 3.11Å; K721-T725 HydrophobicContact CG-CG2 4.04Å; K721-T725 WeakPolarHBondContact O-CG2 3.3Å; K721-T725 PolarHBondContact O-N 3.33Å; K721-T725 PolarHBondContact O-OG1 3.1Å
722	S	80.2	Confident	75.8	Confident	80 Å²	80	71.3 Å²	71.3	56%	0.559	42%	0.418	S	S	*	.	H	α-helix	trans	-57.3	-42.2	175.7	-178.6	0	0	0	0	112.5	E718 T719 V720	E718-S722 WeakPolarHBondContact O-CB 3.25Å; E718-S722 PolarHBondContact O-N 2.86Å; T719-S722 PolarHBondContact O-N 3.41Å; V720-S722 PolarHBondContact O-N 3.27Å
723	V	80.9	Confident	77.9	Confident	42 Å²	42	68 Å²	68	26%	0.255	39%	0.385	S	S	.	.	H	α-helix	trans	-65.4	-42.6	174	174.1	0	0	0	0	111.6	L708 T719 V720 K721 N729	L708-V723 HydrophobicContact CD1-CG2 4.19Å; T719-V723 PolarHBondContact O-N 3.28Å; T719-V723 VanDerWaalsContact O-N 3.12Å; V720-V723 PolarHBondContact O-N 3.09Å; K721-V723 VanDerWaalsContact C-N 3.32Å; K721-V723 PolarHBondContact O-N 3.28Å; V723-N729 PolarHBondContact O-ND2 2.86Å
724	L	80.7	Confident	80.6	Confident	3 Å²	3	66.1 Å²	66.1	2%	0.016	36%	0.361	C	S	.	.	H	α-helix	trans	-71.4	-38.2	-177.4	-68.3	173.7	0	0	0	113.5	I701 V720 K721 S726 F812	I701-L724 HydrophobicContact CG2-CD2 4.47Å; V720-L724 HydrophobicContact CG1-CD1 3.89Å; V720-L724 HydrophobicContact CG1-CG 4.48Å; V720-L724 WeakPolarHBondContact O-CG 3.37Å; V720-L724 PolarHBondContact O-N 3.25Å; K721-L724 PolarHBondContact O-N 3.01Å; K721-L724 VanDerWaalsContact O-N 3.11Å; L724-S726 PolarHBondContact O-N 2.98Å; L724-F812 HydrophobicContact CD2-CE2 3.69Å; L724-F812 HydrophobicContact CD2-CZ 4.29Å
725	T	85.1	Confident	82.9	Confident	47 Å²	47	62.4 Å²	62.4	29%	0.288	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.4	1.2	-175	60.1	0	0	0	0	114.6	K721 R730	K721-T725 HydrophobicContact CG-CG2 4.04Å; K721-T725 WeakPolarHBondContact O-CG2 3.3Å; K721-T725 PolarHBondContact O-N 3.33Å; K721-T725 PolarHBondContact O-OG1 3.1Å; T725-R730 WeakPolarHBondContact O-CD 3.44Å; T725-R730 PolarHBondContact O-NE 3.23Å
726	S	89.8	Confident	85.2	Confident	30 Å²	30	60 Å²	60	21%	0.21	31%	0.31	C	S	.	.	S	Bend	trans	-62.9	139.6	178.9	77.3	0	0	0	0	111	L724 E728 N729 R730	L724-S726 PolarHBondContact O-N 2.98Å; S726-E728 PolarHBondContact O-N 2.93Å; S726-E728 VanDerWaalsContact O-N 3.1Å; S726-N729 PolarHBondContact O-N 2.83Å; S726-N729 VanDerWaalsContact OG-CB 3.25Å; S726-N729 WeakPolarHBondContact OG-CB 3.24Å; S726-N729 PolarHBondContact OG-N 3.4Å; S726-N729 PolarHBondContact OG-ND2 3.1Å; S726-R730 WeakPolarHBondContact O-CG 3.48Å; S726-R730 PolarHBondContact O-N 3.29Å
727	P	88.9	Confident	87.1	Confident	76 Å²	76	55.1 Å²	55.1	49%	0.494	28%	0.284	S	S	.	.	H	α-helix	trans	-53.2	-37.1	-175.1	-28.3	35.7	0	0	0	113.8	I731	P727-I731 WeakPolarHBondContact O-CG1 3.39Å; P727-I731 PolarHBondContact O-N 3.44Å
728	E	90.1	Very high	88.7	Confident	125 Å²	125	46.8 Å²	46.8	58%	0.584	25%	0.246	S	C	*	.	H	α-helix	trans	-68.3	-45.6	178.8	-60.8	67.8	-147	0	0	111.4	S726 I731 L732	S726-E728 PolarHBondContact O-N 2.93Å; S726-E728 VanDerWaalsContact O-N 3.1Å; E728-I731 WeakPolarHBondContact O-CB 3.36Å; E728-I731 PolarHBondContact O-N 2.98Å; E728-L732 PolarHBondContact O-N 2.85Å
729	N	92.4	Very high	90.1	Very high	20 Å²	20	39.2 Å²	39.2	11%	0.107	21%	0.21	C	C	.	.	H	α-helix	trans	-71.5	-34.6	-179.8	-75.6	-14.1	0	0	0	112	I701 V723 S726 I731 L732 V733	I701-N729 HydrophobicContact CD1-CB 3.45Å; I701-N729 VanDerWaalsContact CD1-CB 3.45Å; V723-N729 PolarHBondContact O-ND2 2.86Å; S726-N729 PolarHBondContact O-N 2.83Å; S726-N729 VanDerWaalsContact OG-CB 3.25Å; S726-N729 WeakPolarHBondContact OG-CB 3.24Å; S726-N729 PolarHBondContact OG-N 3.4Å; S726-N729 PolarHBondContact OG-ND2 3.1Å; N729-I731 VanDerWaalsContact C-N 3.28Å; N729-I731 PolarHBondContact O-N 3.46Å; N729-L732 PolarHBondContact O-N 2.83Å; N729-L732 VanDerWaalsContact O-N 3.09Å; N729-V733 WeakPolarHBondContact O-CG2 3.4Å; N729-V733 PolarHBondContact O-N 3.22Å
730	R	94.8	Very high	91.3	Very high	44 Å²	44	36.4 Å²	36.4	17%	0.166	19%	0.193	C	C	.	.	H	α-helix	trans	-62.9	-33.1	172.5	-63.8	-169.8	-52.8	-174	22.2	112.9	S597 L598 D599 D602 T725 S726 K734	S597-R730 WeakPolarHBondContact O-CD 3.28Å; S597-R730 WeakPolarHBondContact O-CG 3.33Å; L598-R730 HydrophobicContact CD2-CB 4.12Å; L598-R730 HydrophobicContact CD2-CG 4.34Å; D599-R730 IonicContact OD1-CZ 3.17Å; D599-R730 IonicContact OD1-NH1 2.7Å; D599-R730 PolarHBondContact OD1-NH1 3.49Å; D599-R730 IonicContact OD2-CZ 3.71Å; D599-R730 IonicContact OD2-NH1 3.49Å; D599-R730 PolarHBondContact OD2-NH1 2.92Å; D599-R730 IonicContact OD2-NH2 3.58Å; D599-R730 PolarHBondContact OD2-NH2 2.69Å; D602-R730 IonicContact OD2-CZ 3.87Å; D602-R730 IonicContact OD2-NE 2.64Å; T725-R730 WeakPolarHBondContact O-CD 3.44Å; T725-R730 PolarHBondContact O-NE 3.23Å; S726-R730 WeakPolarHBondContact O-CG 3.48Å; S726-R730 PolarHBondContact O-N 3.29Å; R730-K734 WeakPolarHBondContact O-CB 3.46Å; R730-K734 WeakPolarHBondContact O-CE 3.46Å; R730-K734 WeakPolarHBondContact O-CG 3.49Å; R730-K734 PolarHBondContact O-N 3.4Å
731	I	95.6	Very high	92.4	Very high	63 Å²	63	35.3 Å²	35.3	32%	0.323	19%	0.186	S	C	.	.	H	α-helix	trans	-64	-47.1	170.6	-69.9	163.8	0	0	0	110.2	D680 P727 E728 N729 V733 K734 R735	D680-I731 WeakPolarHBondContact OD2-CG2 3.13Å; P727-I731 WeakPolarHBondContact O-CG1 3.39Å; P727-I731 PolarHBondContact O-N 3.44Å; E728-I731 WeakPolarHBondContact O-CB 3.36Å; E728-I731 PolarHBondContact O-N 2.98Å; N729-I731 VanDerWaalsContact C-N 3.28Å; N729-I731 PolarHBondContact O-N 3.46Å; I731-V733 PolarHBondContact O-N 3.24Å; I731-K734 PolarHBondContact O-N 3.45Å; I731-R735 HydrophobicContact CG2-CG 4.48Å; I731-R735 WeakPolarHBondContact O-CG 3.46Å; I731-R735 PolarHBondContact O-N 2.78Å
732	L	96	Very high	93.3	Very high	20 Å²	20	30.2 Å²	30.2	11%	0.105	17%	0.165	C	C	.	.	H	α-helix	trans	-63	-42.4	177.8	-62.6	179.4	0	0	0	112.8	K696 E728 N729 R735 M736	K696-L732 HydrophobicContact CB-CD1 4.35Å; K696-L732 HydrophobicContact CB-CD2 3.73Å; E728-L732 PolarHBondContact O-N 2.85Å; N729-L732 PolarHBondContact O-N 2.83Å; N729-L732 VanDerWaalsContact O-N 3.09Å; L732-R735 PolarHBondContact O-N 3.04Å; L732-M736 WeakPolarHBondContact O-CB 3.43Å; L732-M736 PolarHBondContact O-N 3.37Å
733	V	97.9	Very high	94.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-60.8	-46.9	175.2	172.5	0	0	0	0	110.8	L598 F697 I701 N729 I731 M736 L737 W809 F812	L598-V733 HydrophobicContact CD1-CG1 4.41Å; L598-V733 HydrophobicContact CD2-CB 4.3Å; L598-V733 HydrophobicContact CD2-CG1 3.99Å; L598-V733 HydrophobicContact CG-CG1 4.28Å; F697-V733 HydrophobicContact CE2-CG2 4.12Å; I701-V733 HydrophobicContact CD1-CG2 4.32Å; N729-V733 WeakPolarHBondContact O-CG2 3.4Å; N729-V733 PolarHBondContact O-N 3.22Å; I731-V733 PolarHBondContact O-N 3.24Å; V733-M736 PolarHBondContact O-N 3.15Å; V733-L737 VanDerWaalsContact O-CB 3.25Å; V733-L737 WeakPolarHBondContact O-CB 3.43Å; V733-L737 PolarHBondContact O-N 3.1Å; V733-W809 HydrophobicContact CG1-CH2 4.24Å; V733-F812 HydrophobicContact CG1-CE1 4.08Å; V733-F812 HydrophobicContact CG1-CZ 4.25Å; V733-F812 HydrophobicContact CG2-CE1 4.34Å; V733-F812 HydrophobicContact CG2-CZ 3.87Å
734	K	98.4	Very high	95.1	Very high	13 Å²	13	25.1 Å²	25.1	6%	0.057	13%	0.13	C	C	.	.	H	α-helix	trans	-59.5	-47.4	175.7	-84.1	179.5	-69.4	-174	0	112.8	L598 D602 M681 R730 I731 L737 I738	L598-K734 HydrophobicContact CD1-CG 4.37Å; L598-K734 HydrophobicContact CD2-CG 4.1Å; D602-K734 HydrophobicContact CB-CD 3.87Å; D602-K734 HydrophobicContact CB-CG 4.45Å; D602-K734 WeakPolarHBondContact OD1-CE 3.33Å; D602-K734 IonicContact OD1-NZ 3.53Å; D602-K734 PolarHBondContact OD1-NZ 3.17Å; M681-K734 HydrophobicContact CE-CB 4.08Å; M681-K734 HydrophobicContact CE-CG 4.4Å; M681-K734 WeakPolarHBondContact CE-O 3.22Å; M681-K734 HydrophobicContact CG-CB 4.02Å; M681-K734 HydrophobicContact SD-CB 3.77Å; M681-K734 HydrophobicContact SD-CD 3.8Å; M681-K734 HydrophobicContact SD-CG 3.89Å; R730-K734 WeakPolarHBondContact O-CB 3.46Å; R730-K734 WeakPolarHBondContact O-CE 3.46Å; R730-K734 WeakPolarHBondContact O-CG 3.49Å; R730-K734 PolarHBondContact O-N 3.4Å; I731-K734 PolarHBondContact O-N 3.45Å; K734-L737 PolarHBondContact O-N 3.45Å; K734-I738 WeakPolarHBondContact O-CG2 3.23Å; K734-I738 PolarHBondContact O-N 2.92Å
735	R	98.4	Very high	95.9	Very high	48 Å²	48	25.7 Å²	25.7	18%	0.181	13%	0.133	C	C	.	.	H	α-helix	trans	-62.2	-42.4	178.1	-70.5	-175.3	-175.6	-168.8	2.8	112	D680 A684 H693 I731 L732 I738 K739	D680-R735 IonicContact OD1-CZ 3.58Å; D680-R735 IonicContact OD1-NE 2.8Å; D680-R735 IonicContact OD1-NH2 3.34Å; D680-R735 PolarHBondContact OD1-NH2 3.33Å; D680-R735 IonicContact OD2-CZ 3.87Å; D680-R735 IonicContact OD2-NE 3.6Å; D680-R735 PolarHBondContact OD2-NE 3.04Å; D680-R735 IonicContact OD2-NH2 2.96Å; D680-R735 PolarHBondContact OD2-NH2 3.1Å; A684-R735 HydrophobicContact CB-CB 4.06Å; A684-R735 HydrophobicContact CB-CG 3.68Å; H693-R735 PolarHBondContact CE1-NH1 2.86Å; I731-R735 HydrophobicContact CG2-CG 4.48Å; I731-R735 WeakPolarHBondContact O-CG 3.46Å; I731-R735 PolarHBondContact O-N 2.78Å; L732-R735 PolarHBondContact O-N 3.04Å; R735-I738 WeakPolarHBondContact O-CG2 3.49Å; R735-K739 WeakPolarHBondContact O-CG 3.22Å; R735-K739 PolarHBondContact O-N 3.42Å
736	M	98.5	Very high	96.5	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.015	12%	0.12	C	C	.	.	H	α-helix	trans	-63.9	-44.7	175.9	-166.2	69.9	178.3	0	0	111	V694 F697 L732 V733 K739 C740 M805 A808 W809	V694-M736 HydrophobicContact CG2-CE 4.42Å; V694-M736 HydrophobicContact CG2-SD 4.19Å; F697-M736 HydrophobicContact CB-CB 4.42Å; F697-M736 HydrophobicContact CB-CG 4.37Å; F697-M736 HydrophobicContact CB-SD 3.99Å; F697-M736 HydrophobicContact CD1-CB 4.49Å; F697-M736 HydrophobicContact CD1-CE 3.97Å; F697-M736 HydrophobicContact CD1-CG 3.82Å; F697-M736 HydrophobicContact CD1-SD 3.91Å; F697-M736 HydrophobicContact CD2-CB 3.53Å; F697-M736 HydrophobicContact CD2-CG 3.77Å; F697-M736 HydrophobicContact CD2-SD 4.48Å; F697-M736 HydrophobicContact CE1-CE 4.35Å; F697-M736 HydrophobicContact CE1-CG 4Å; F697-M736 HydrophobicContact CE2-CB 3.85Å; F697-M736 HydrophobicContact CE2-CG 3.95Å; F697-M736 HydrophobicContact CG-CB 3.9Å; F697-M736 HydrophobicContact CG-CG 3.7Å; F697-M736 HydrophobicContact CG-SD 3.87Å; F697-M736 HydrophobicContact CZ-CB 4.45Å; F697-M736 HydrophobicContact CZ-CG 4.07Å; L732-M736 WeakPolarHBondContact O-CB 3.43Å; L732-M736 PolarHBondContact O-N 3.37Å; V733-M736 PolarHBondContact O-N 3.15Å; M736-K739 PolarHBondContact O-N 2.75Å; M736-C740 WeakPolarHBondContact O-CB 3.38Å; M736-C740 PolarHBondContact O-N 3.42Å; M736-C740 PolarHBondContact O-SG 3.14Å; M736-M805 HydrophobicContact CE-CB 4.46Å; M736-M805 HydrophobicContact CE-CG 3.55Å; M736-M805 WeakPolarHBondContact CE-O 3.38Å; M736-M805 HydrophobicContact SD-CG 4.31Å; M736-A808 HydrophobicContact CE-CB 3.97Å; M736-W809 HydrophobicContact CB-CE3 4.14Å; M736-W809 HydrophobicContact CB-CZ3 4.04Å; M736-W809 HydrophobicContact CE-CB 4.17Å; M736-W809 HydrophobicContact CG-CD2 4.19Å; M736-W809 HydrophobicContact CG-CE3 3.52Å; M736-W809 HydrophobicContact CG-CZ3 3.94Å
737	L	98.8	Very high	97	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.4	-49.4	-179.6	-172	156.1	0	0	0	112.5	T585 F588 L589 V594 L598 V733 K734 C740 A741 W809	T585-L737 HydrophobicContact CG2-CD2 3.81Å; F588-L737 HydrophobicContact CB-CD1 3.9Å; F588-L737 HydrophobicContact CB-CD2 4.32Å; F588-L737 HydrophobicContact CB-CG 3.81Å; F588-L737 HydrophobicContact CD2-CG 4.25Å; F588-L737 HydrophobicContact CG-CG 4.47Å; L589-L737 HydrophobicContact CD2-CD1 3.84Å; L589-L737 HydrophobicContact CG-CD1 4.25Å; V594-L737 HydrophobicContact CG1-CD1 3.68Å; L598-L737 HydrophobicContact CD1-CD1 4.48Å; V733-L737 VanDerWaalsContact O-CB 3.25Å; V733-L737 WeakPolarHBondContact O-CB 3.43Å; V733-L737 PolarHBondContact O-N 3.1Å; K734-L737 PolarHBondContact O-N 3.45Å; L737-C740 PolarHBondContact O-N 3.2Å; L737-A741 WeakPolarHBondContact O-CB 3.25Å; L737-A741 PolarHBondContact O-N 2.95Å; L737-W809 HydrophobicContact CB-CH2 3.75Å; L737-W809 HydrophobicContact CB-CZ2 3.72Å; L737-W809 HydrophobicContact CD1-CH2 4.27Å; L737-W809 HydrophobicContact CD1-CZ2 4.09Å; L737-W809 HydrophobicContact CG-CH2 4.24Å; L737-W809 HydrophobicContact CG-CZ2 3.83Å
738	I	98.8	Very high	97.4	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-66.4	-42.4	-179.6	-172.5	61.2	0	0	0	111.7	V581 A610 M681 T685 K734 R735 C740 A741 D742	V581-I738 HydrophobicContact CG1-CD1 3.95Å; A610-I738 HydrophobicContact CB-CD1 3.85Å; M681-I738 HydrophobicContact CB-CG2 4.19Å; M681-I738 HydrophobicContact CE-CB 3.73Å; M681-I738 HydrophobicContact CE-CG1 4.49Å; M681-I738 HydrophobicContact CE-CG2 4.06Å; T685-I738 HydrophobicContact CG2-CG1 4.1Å; K734-I738 WeakPolarHBondContact O-CG2 3.23Å; K734-I738 PolarHBondContact O-N 2.92Å; R735-I738 WeakPolarHBondContact O-CG2 3.49Å; I738-C740 VanDerWaalsContact C-N 3.34Å; I738-C740 PolarHBondContact O-N 3.14Å; I738-A741 WeakPolarHBondContact O-CB 3.3Å; I738-A741 PolarHBondContact O-N 3.25Å; I738-A741 VanDerWaalsContact O-N 3.08Å; I738-D742 VanDerWaalsContact O-CB 3.25Å; I738-D742 WeakPolarHBondContact O-CB 3.4Å; I738-D742 PolarHBondContact O-N 3.36Å
739	K	98.6	Very high	97.8	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.009	7%	0.067	C	C	.	.	H	α-helix	trans	-64.7	-37.1	176.4	-67.8	-171.3	82.7	68.4	0	112.7	A684 T685 E686 H693 R735 M736 A741 I743 M805	A684-K739 WeakPolarHBondContact O-CD 3.39Å; A684-K739 WeakPolarHBondContact O-CE 3.17Å; A684-K739 VanDerWaalsContact O-CG 3.31Å; A684-K739 WeakPolarHBondContact O-CG 3.41Å; A684-K739 PolarHBondContact O-NZ 3.23Å; T685-K739 VanDerWaalsContact C-NZ 3.31Å; T685-K739 PolarHBondContact O-NZ 3.39Å; E686-K739 PolarHBondContact O-NZ 2.76Å; E686-K739 VanDerWaalsContact O-NZ 3.14Å; H693-K739 HydrophobicContact CB-CD 4.31Å; R735-K739 WeakPolarHBondContact O-CG 3.22Å; R735-K739 PolarHBondContact O-N 3.42Å; M736-K739 PolarHBondContact O-N 2.75Å; K739-A741 VanDerWaalsContact C-N 3.27Å; K739-A741 PolarHBondContact O-N 2.86Å; K739-I743 WeakPolarHBondContact O-CG1 3.41Å; K739-I743 PolarHBondContact O-N 3.37Å; K739-M805 HydrophobicContact CB-SD 4.24Å
740	C	98.8	Very high	98.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-69.3	-25.4	173.9	-66.5	0	0	0	0	112.5	F588 M736 L737 I738 S744 M805 F806 W809	F588-C740 HydrophobicContact CE2-CB 3.89Å; F588-C740 HydrophobicContact CZ-CB 4.29Å; M736-C740 WeakPolarHBondContact O-CB 3.38Å; M736-C740 PolarHBondContact O-N 3.42Å; M736-C740 PolarHBondContact O-SG 3.14Å; L737-C740 PolarHBondContact O-N 3.2Å; I738-C740 VanDerWaalsContact C-N 3.34Å; I738-C740 PolarHBondContact O-N 3.14Å; C740-S744 VanDerWaalsContact O-CB 3.28Å; C740-S744 WeakPolarHBondContact O-CB 3.44Å; C740-M805 HydrophobicContact CB-CE 4.39Å; C740-F806 HydrophobicContact CB-CZ 4.32Å; C740-F806 VanDerWaalsContact O-CZ 3.25Å; C740-F806 WeakPolarHBondContact O-CZ 3.48Å; C740-W809 HydrophobicContact CB-CG 4.09Å; C740-W809 VanDerWaalsContact SG-CG 3.57Å
741	A	98.8	Very high	98.2	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-80.3	-44.8	176.4	0	0	0	0	0	112.1	V581 A584 T585 F588 L737 I738 K739 S744	V581-A741 HydrophobicContact CG1-CB 3.94Å; A584-A741 HydrophobicContact CB-CB 3.69Å; T585-A741 WeakPolarHBondContact OG1-CB 3.36Å; F588-A741 HydrophobicContact CD2-CB 4.24Å; F588-A741 HydrophobicContact CE2-CB 4.09Å; L737-A741 WeakPolarHBondContact O-CB 3.25Å; L737-A741 PolarHBondContact O-N 2.95Å; I738-A741 WeakPolarHBondContact O-CB 3.3Å; I738-A741 PolarHBondContact O-N 3.25Å; I738-A741 VanDerWaalsContact O-N 3.08Å; K739-A741 VanDerWaalsContact C-N 3.27Å; K739-A741 PolarHBondContact O-N 2.86Å; A741-S744 WeakPolarHBondContact O-CB 3.29Å; A741-S744 PolarHBondContact O-N 3.04Å; A741-S744 PolarHBondContact O-OG 3Å
742	D	98.8	Very high	98.4	Very high	19 Å²	19	16.2 Å²	16.2	10%	0.102	8%	0.08	C	C	.	.	H	α-helix	trans	-49.8	-68.7	175.5	170.7	-0.9	0	0	0	111.6	H577 I738 S744	H577-D742 VanDerWaalsContact NE2-C 3.33Å; H577-D742 PolarHBondContact NE2-O 3.44Å; H577-D742 IonicContact NE2-OD1 2.59Å; I738-D742 VanDerWaalsContact O-CB 3.25Å; I738-D742 WeakPolarHBondContact O-CB 3.4Å; I738-D742 PolarHBondContact O-N 3.36Å; D742-S744 PolarHBondContact O-N 3.12Å; D742-S744 VanDerWaalsContact O-N 3.11Å
743	I	98.3	Very high	98.5	Very high	14 Å²	14	15.3 Å²	15.3	7%	0.072	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	33.4	-178.1	66	-179.4	0	0	0	113.4	M687 K739 N745 P746 F797 I802 M805	M687-I743 HydrophobicContact CE-CD1 4.18Å; M687-I743 HydrophobicContact SD-CD1 4.37Å; K739-I743 WeakPolarHBondContact O-CG1 3.41Å; K739-I743 PolarHBondContact O-N 3.37Å; I743-N745 VanDerWaalsContact C-N 3.32Å; I743-N745 PolarHBondContact O-N 2.78Å; I743-P746 WeakPolarHBondContact O-CD 3.23Å; I743-F797 HydrophobicContact CB-CZ 4.04Å; I743-F797 HydrophobicContact CD1-CZ 4.29Å; I743-F797 HydrophobicContact CG2-CZ 4.13Å; I743-I802 HydrophobicContact CB-CD1 4.09Å; I743-I802 HydrophobicContact CD1-CD1 3.63Å; I743-I802 HydrophobicContact CG1-CD1 3.72Å; I743-M805 HydrophobicContact CD1-CE 3.73Å; I743-M805 HydrophobicContact CD1-SD 4.24Å; I743-M805 HydrophobicContact CG1-CE 3.56Å
744	S	98.6	Very high	98.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.076	C	C	.	.			trans	-75.1	-11.2	-175.2	65.8	0	0	0	0	116.1	C740 A741 D742 P746 C747	C740-S744 VanDerWaalsContact O-CB 3.28Å; C740-S744 WeakPolarHBondContact O-CB 3.44Å; A741-S744 WeakPolarHBondContact O-CB 3.29Å; A741-S744 PolarHBondContact O-N 3.04Å; A741-S744 PolarHBondContact O-OG 3Å; D742-S744 PolarHBondContact O-N 3.12Å; D742-S744 VanDerWaalsContact O-N 3.11Å; S744-P746 VanDerWaalsContact C-CD 3.43Å; S744-P746 VanDerWaalsContact O-N 3.17Å; S744-C747 WeakPolarHBondContact O-CA 3.39Å; S744-C747 WeakPolarHBondContact O-CB 3.38Å; S744-C747 PolarHBondContact O-N 2.82Å
745	N	98.6	Very high	98.5	Very high	16 Å²	16	18.5 Å²	18.5	9%	0.086	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-52	-39.3	-172.5	-49.5	-44.7	0	0	0	115.2	Y572 I743 C747 R748 W756	Y572-N745 WeakPolarHBondContact CE2-ND2 3.13Å; Y572-N745 PolarHBondContact OH-ND2 3.04Å; I743-N745 VanDerWaalsContact C-N 3.32Å; I743-N745 PolarHBondContact O-N 2.78Å; N745-C747 PolarHBondContact O-N 2.81Å; N745-R748 WeakPolarHBondContact O-CB 3.26Å; N745-R748 PolarHBondContact O-N 3.35Å; N745-R748 VanDerWaalsContact O-N 3.15Å; N745-W756 HydrophobicContact CB-CB 3.73Å; N745-W756 HydrophobicContact CB-CG 4Å; N745-W756 PolarHBondContact OD1-NE1 2.88Å
746	P	98.7	Very high	98.5	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.013	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-67.2	-16.5	177.6	-23.6	38.7	0	0	0	114.1	I743 S744 F797 I798 I802 L822 N825	I743-P746 WeakPolarHBondContact O-CD 3.23Å; S744-P746 VanDerWaalsContact C-CD 3.43Å; S744-P746 VanDerWaalsContact O-N 3.17Å; P746-F797 HydrophobicContact CG-CD1 4.25Å; P746-F797 HydrophobicContact CG-CE1 4.2Å; P746-I798 HydrophobicContact CB-CD1 4.02Å; P746-I798 HydrophobicContact CB-CG1 3.83Å; P746-I798 HydrophobicContact CG-CG1 4.22Å; P746-I802 HydrophobicContact CB-CG2 4.34Å; P746-I802 HydrophobicContact CG-CD1 4.28Å; P746-I802 HydrophobicContact CG-CG1 4.11Å; P746-L822 HydrophobicContact CB-CD1 3.78Å; P746-N825 PolarHBondContact O-ND2 3.41Å
747	C	98.6	Very high	98.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-96.6	-0.7	176.5	-58.2	0	0	0	0	113	W515 S744 N745 F806 L818 H821	W515-C747 HydrophobicContact CZ2-CB 4.27Å; W515-C747 PolarHBondContact NE1-O 2.87Å; S744-C747 WeakPolarHBondContact O-CA 3.39Å; S744-C747 WeakPolarHBondContact O-CB 3.38Å; S744-C747 PolarHBondContact O-N 2.82Å; N745-C747 PolarHBondContact O-N 2.81Å; C747-F806 HydrophobicContact CB-CE1 4.2Å; C747-F806 HydrophobicContact CB-CZ 4.38Å; C747-L818 HydrophobicContact CB-CB 4.05Å; C747-L818 HydrophobicContact CB-CD2 4.46Å; C747-L818 HydrophobicContact CB-CG 4.34Å; C747-H821 WeakPolarHBondContact O-CB 3.48Å; C747-H821 PolarHBondContact O-CD2 2.74Å
748	R	98.5	Very high	98.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-78.4	161.3	174.3	-68.5	-70.2	-170.8	-153.6	-4.8	111.8	W515 D580 H583 N745 L750 L752 N825	W515-R748 VanDerWaalsContact CE3-NH1 3.34Å; W515-R748 HydrophobicContact CZ2-CG 4.43Å; W515-R748 PolarHBondContact O-NH1 2.92Å; D580-R748 PolarHBondContact O-NH2 3.38Å; D580-R748 IonicContact OD1-CZ 2.74Å; D580-R748 IonicContact OD1-NE 3.98Å; D580-R748 PolarHBondContact OD1-NE 2.84Å; D580-R748 IonicContact OD1-NH2 2.72Å; D580-R748 PolarHBondContact OD1-NH2 2.9Å; D580-R748 VanDerWaalsContact OD1-NH2 3.09Å; D580-R748 IonicContact OD2-CZ 3.8Å; D580-R748 IonicContact OD2-NE 2.69Å; D580-R748 PolarHBondContact OD2-NE 2.85Å; D580-R748 IonicContact OD2-NH2 2.78Å; D580-R748 PolarHBondContact OD2-NH2 3.18Å; H583-R748 PolarHBondContact CE1-NH1 3.14Å; H583-R748 PolarHBondContact ND1-NH1 2.79Å; H583-R748 PolarHBondContact ND1-NH2 3.18Å; N745-R748 WeakPolarHBondContact O-CB 3.26Å; N745-R748 PolarHBondContact O-N 3.35Å; N745-R748 VanDerWaalsContact O-N 3.15Å; R748-L750 PolarHBondContact O-N 3.49Å; R748-L752 HydrophobicContact CB-CB 4.03Å; R748-L752 HydrophobicContact CB-CD1 4.47Å; R748-N825 PolarHBondContact O-ND2 2.81Å
749	P	98.5	Very high	98.5	Very high	28 Å²	28	18.3 Å²	18.3	18%	0.182	9%	0.094	C	C	.	.			trans	-44	139.2	163.8	-30.9	34	0	0	0	113.4	D516 E751 L752 C753	D516-P749 HydrophobicContact CB-CG 4.07Å; D516-P749 WeakPolarHBondContact OD1-CG 3.49Å; P749-E751 VanDerWaalsContact C-N 3.31Å; P749-E751 PolarHBondContact O-N 2.99Å; P749-E751 VanDerWaalsContact O-N 3.11Å; P749-L752 HydrophobicContact CB-CD1 4.38Å; P749-L752 HydrophobicContact CB-CG 4.46Å; P749-L752 HydrophobicContact CG-CD1 4.31Å; P749-L752 WeakPolarHBondContact O-CA 3.39Å; P749-L752 WeakPolarHBondContact O-CB 3.44Å; P749-L752 PolarHBondContact O-N 3.41Å; P749-C753 PolarHBondContact O-N 2.9Å
750	L	98.3	Very high	98.4	Very high	55 Å²	55	19.1 Å²	19.1	29%	0.288	10%	0.098	S	C	.	.	H	α-helix	trans	-49.1	-44.1	-168.3	177	61.5	0	0	0	114.8	R748 L752 C753 I754 N825 Y828	R748-L750 PolarHBondContact O-N 3.49Å; L750-L752 VanDerWaalsContact C-N 3.28Å; L750-L752 PolarHBondContact O-N 2.8Å; L750-C753 WeakPolarHBondContact O-CB 3.36Å; L750-C753 PolarHBondContact O-N 3.49Å; L750-I754 HydrophobicContact CD1-CD1 3.83Å; L750-I754 HydrophobicContact CD1-CG1 4Å; L750-I754 HydrophobicContact CG-CD1 3.79Å; L750-I754 HydrophobicContact CG-CG1 4.4Å; L750-I754 VanDerWaalsContact O-CG1 3.28Å; L750-I754 WeakPolarHBondContact O-CG1 3.47Å; L750-I754 PolarHBondContact O-N 3.17Å; L750-N825 VanDerWaalsContact CA-OD1 3.31Å; L750-N825 WeakPolarHBondContact CA-OD1 3.26Å; L750-N825 WeakPolarHBondContact CB-OD1 3.36Å; L750-N825 VanDerWaalsContact CD1-OD1 3.29Å; L750-N825 WeakPolarHBondContact CD1-OD1 3.49Å; L750-Y828 HydrophobicContact CD1-CD1 3.78Å; L750-Y828 HydrophobicContact CD1-CD2 4.02Å; L750-Y828 HydrophobicContact CD1-CE1 4.35Å; L750-Y828 HydrophobicContact CD1-CG 3.59Å; L750-Y828 HydrophobicContact CD2-CD2 3.75Å; L750-Y828 HydrophobicContact CD2-CE2 4.15Å; L750-Y828 HydrophobicContact CD2-CG 4.17Å; L750-Y828 HydrophobicContact CG-CD2 4.46Å; L750-Y828 HydrophobicContact CG-CG 4.49Å
751	E	98	Very high	98.3	Very high	107 Å²	107	19.2 Å²	19.2	50%	0.5	10%	0.098	S	C	.	.	H	α-helix	trans	-62.6	-35.2	-179.8	-67.5	-64	129.4	0	0	112.6	P749 E755 R841	P749-E751 VanDerWaalsContact C-N 3.31Å; P749-E751 PolarHBondContact O-N 2.99Å; P749-E751 VanDerWaalsContact O-N 3.11Å; E751-E755 PolarHBondContact O-N 3.39Å; E751-R841 VanDerWaalsContact CD-NH1 3.29Å; E751-R841 IonicContact OE1-CZ 2.8Å; E751-R841 IonicContact OE1-NH1 3.19Å; E751-R841 PolarHBondContact OE1-NH1 3.03Å; E751-R841 IonicContact OE2-CZ 3.97Å; E751-R841 IonicContact OE2-NH1 3Å; E751-R841 PolarHBondContact OE2-NH1 3.42Å; E751-R841 IonicContact OE2-NH2 2.63Å; E751-R841 PolarHBondContact OE2-NH2 3.44Å
752	L	98.3	Very high	98.3	Very high	14 Å²	14	22.6 Å²	22.6	7%	0.073	11%	0.114	C	C	.	.	H	α-helix	trans	-75	-39	175.1	-51.5	179.4	0	0	0	111.2	F517 F520 R748 P749 L750 I754 E755 W756	F517-L752 VanDerWaalsContact O-CD1 3.23Å; F517-L752 WeakPolarHBondContact O-CD1 3.39Å; F520-L752 HydrophobicContact CD2-CD2 3.47Å; F520-L752 VanDerWaalsContact CD2-CD2 3.47Å; F520-L752 HydrophobicContact CE2-CB 4.25Å; F520-L752 HydrophobicContact CE2-CD2 3.71Å; R748-L752 HydrophobicContact CB-CB 4.03Å; R748-L752 HydrophobicContact CB-CD1 4.47Å; P749-L752 HydrophobicContact CB-CD1 4.38Å; P749-L752 HydrophobicContact CB-CG 4.46Å; P749-L752 HydrophobicContact CG-CD1 4.31Å; P749-L752 WeakPolarHBondContact O-CA 3.39Å; P749-L752 WeakPolarHBondContact O-CB 3.44Å; P749-L752 PolarHBondContact O-N 3.41Å; L750-L752 VanDerWaalsContact C-N 3.28Å; L750-L752 PolarHBondContact O-N 2.8Å; L752-I754 VanDerWaalsContact C-N 3.33Å; L752-I754 PolarHBondContact O-N 3.49Å; L752-E755 PolarHBondContact O-N 3.12Å; L752-W756 WeakPolarHBondContact O-CB 3.47Å; L752-W756 VanDerWaalsContact O-CD1 3.3Å; L752-W756 PolarHBondContact O-N 2.93Å
753	C	98.6	Very high	98.3	Very high	1 Å²	1	22 Å²	22	1%	0.007	11%	0.111	C	C	.	.	H	α-helix	trans	-58.9	-43.5	174	178.4	0	0	0	0	111.5	P749 L750 A757	P749-C753 PolarHBondContact O-N 2.9Å; L750-C753 WeakPolarHBondContact O-CB 3.36Å; L750-C753 PolarHBondContact O-N 3.49Å; C753-A757 WeakPolarHBondContact O-CB 3.4Å; C753-A757 PolarHBondContact O-N 2.93Å
754	I	98.4	Very high	98.2	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.015	11%	0.113	C	C	.	.	H	α-helix	trans	-64.9	-45.6	177.1	-66.6	164	0	0	0	111.5	L750 L752 A757 G758 Y828 W829 L840 R841	L750-I754 HydrophobicContact CD1-CD1 3.83Å; L750-I754 HydrophobicContact CD1-CG1 4Å; L750-I754 HydrophobicContact CG-CD1 3.79Å; L750-I754 HydrophobicContact CG-CG1 4.4Å; L750-I754 VanDerWaalsContact O-CG1 3.28Å; L750-I754 WeakPolarHBondContact O-CG1 3.47Å; L750-I754 PolarHBondContact O-N 3.17Å; L752-I754 VanDerWaalsContact C-N 3.33Å; L752-I754 PolarHBondContact O-N 3.49Å; I754-A757 PolarHBondContact O-N 3.17Å; I754-G758 PolarHBondContact O-N 2.87Å; I754-Y828 HydrophobicContact CD1-CD1 4.42Å; I754-Y828 HydrophobicContact CD1-CE1 3.67Å; I754-Y828 HydrophobicContact CD1-CE2 4.27Å; I754-Y828 HydrophobicContact CG1-CD1 4.43Å; I754-Y828 HydrophobicContact CG1-CE1 3.83Å; I754-W829 HydrophobicContact CB-CH2 4.38Å; I754-W829 HydrophobicContact CG1-CH2 3.94Å; I754-W829 HydrophobicContact CG1-CZ2 4.13Å; I754-W829 HydrophobicContact CG2-CH2 4.47Å; I754-L840 HydrophobicContact CG2-CB 4.08Å; I754-R841 HydrophobicContact CG2-CG 4.03Å
755	E	98.4	Very high	98.1	Very high	76 Å²	76	23.6 Å²	23.6	36%	0.355	12%	0.117	S	C	.	.	H	α-helix	trans	-64.7	-45.6	179	176.7	65.4	-173.8	0	0	111.5	F520 E751 L752 A757 G758 R759	F520-E755 HydrophobicContact CD1-CG 4.36Å; F520-E755 HydrophobicContact CD2-CB 4.28Å; F520-E755 HydrophobicContact CD2-CG 3.85Å; F520-E755 HydrophobicContact CE1-CG 3.95Å; F520-E755 HydrophobicContact CE2-CB 3.66Å; F520-E755 HydrophobicContact CE2-CG 3.39Å; F520-E755 HydrophobicContact CG-CG 4.32Å; F520-E755 HydrophobicContact CZ-CB 4.04Å; F520-E755 HydrophobicContact CZ-CG 3.43Å; F520-E755 VanDerWaalsContact CZ-CG 3.43Å; E751-E755 PolarHBondContact O-N 3.39Å; L752-E755 PolarHBondContact O-N 3.12Å; E755-A757 PolarHBondContact O-N 3.16Å; E755-G758 PolarHBondContact O-N 3.33Å; E755-G758 VanDerWaalsContact O-N 3.17Å; E755-R759 WeakPolarHBondContact O-CG 3.46Å; E755-R759 PolarHBondContact O-N 3.49Å; E755-R759 IonicContact OE1-CZ 3.59Å; E755-R759 VanDerWaalsContact OE1-CZ 3.28Å; E755-R759 IonicContact OE1-NE 2.76Å; E755-R759 PolarHBondContact OE1-NE 2.96Å; E755-R759 IonicContact OE1-NH2 3.31Å; E755-R759 PolarHBondContact OE1-NH2 2.81Å
756	W	98.8	Very high	98	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-62.8	-42.4	175.3	-77.8	131.7	0	0	0	112.6	I519 F520 Y572 T576 H577 D580 N745 L752 G758 R759 I760	I519-W756 HydrophobicContact CG2-CZ2 4.06Å; F520-W756 HydrophobicContact CE1-CD2 4.33Å; F520-W756 AromaticContact CE1-CE2 3.95Å; F520-W756 HydrophobicContact CE1-CE3 4.47Å; F520-W756 AromaticContact CE1-CH2 3.83Å; F520-W756 HydrophobicContact CE1-CH2 3.83Å; F520-W756 AromaticContact CE1-CZ2 3.69Å; F520-W756 HydrophobicContact CE1-CZ2 3.69Å; F520-W756 HydrophobicContact CE1-CZ3 4.24Å; F520-W756 AromaticContact CZ-CD2 3.66Å; F520-W756 HydrophobicContact CZ-CD2 3.66Å; F520-W756 AromaticContact CZ-CE2 3.4Å; F520-W756 HydrophobicContact CZ-CE3 4.16Å; F520-W756 HydrophobicContact CZ-CG 4.08Å; F520-W756 HydrophobicContact CZ-CH2 4.12Å; F520-W756 AromaticContact CZ-CZ2 3.65Å; F520-W756 HydrophobicContact CZ-CZ2 3.65Å; F520-W756 HydrophobicContact CZ-CZ3 4.37Å; F520-W756 AromaticContact CZ-NE1 3.71Å; Y572-W756 AromaticContact CD2-CE3 3.58Å; Y572-W756 HydrophobicContact CD2-CE3 3.58Å; Y572-W756 HydrophobicContact CD2-CZ3 4.05Å; Y572-W756 HydrophobicContact CE2-CD2 4.24Å; Y572-W756 AromaticContact CE2-CE3 3.61Å; Y572-W756 HydrophobicContact CE2-CE3 3.61Å; Y572-W756 HydrophobicContact CE2-CZ3 4.23Å; T576-W756 HydrophobicContact CG2-CH2 3.93Å; T576-W756 HydrophobicContact CG2-CZ2 4.29Å; H577-W756 HydrophobicContact CB-CH2 3.96Å; H577-W756 HydrophobicContact CB-CZ3 4.1Å; D580-W756 HydrophobicContact CB-CZ2 3.96Å; N745-W756 HydrophobicContact CB-CB 3.73Å; N745-W756 HydrophobicContact CB-CG 4Å; N745-W756 PolarHBondContact OD1-NE1 2.88Å; L752-W756 WeakPolarHBondContact O-CB 3.47Å; L752-W756 VanDerWaalsContact O-CD1 3.3Å; L752-W756 PolarHBondContact O-N 2.93Å; W756-G758 VanDerWaalsContact C-N 3.25Å; W756-G758 PolarHBondContact O-N 3.43Å; W756-R759 HydrophobicContact CE3-CB 4.29Å; W756-R759 PolarHBondContact O-N 3.1Å; W756-I760 WeakPolarHBondContact O-CG2 3.45Å; W756-I760 PolarHBondContact O-N 3.25Å
757	A	98.3	Very high	98	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.017	13%	0.125	C	C	.	.	H	α-helix	trans	-59.8	-36	174	0	0	0	0	0	112.1	C753 I754 E755 S761 Q794 W829 L840	C753-A757 WeakPolarHBondContact O-CB 3.4Å; C753-A757 PolarHBondContact O-N 2.93Å; I754-A757 PolarHBondContact O-N 3.17Å; E755-A757 PolarHBondContact O-N 3.16Å; A757-S761 VanDerWaalsContact O-CB 3.29Å; A757-S761 WeakPolarHBondContact O-CB 3.26Å; A757-S761 PolarHBondContact O-N 2.68Å; A757-S761 PolarHBondContact O-OG 3.07Å; A757-Q794 HydrophobicContact CB-CG 3.9Å; A757-W829 HydrophobicContact CB-CH2 4.01Å; A757-W829 HydrophobicContact CB-CZ2 3.72Å; A757-L840 HydrophobicContact CB-CD2 4.06Å
758	G	97.6	Very high	97.8	Very high	12 Å²	12	24.5 Å²	24.5	12%	0.124	13%	0.126	C	C	.	.	H	α-helix	trans	-68.5	-47.4	173.7	0	0	0	0	0	113	I754 E755 W756 I760 S761 E762 L840	I754-G758 PolarHBondContact O-N 2.87Å; E755-G758 PolarHBondContact O-N 3.33Å; E755-G758 VanDerWaalsContact O-N 3.17Å; W756-G758 VanDerWaalsContact C-N 3.25Å; W756-G758 PolarHBondContact O-N 3.43Å; G758-I760 PolarHBondContact O-N 3.11Å; G758-S761 PolarHBondContact O-N 3.15Å; G758-E762 PolarHBondContact O-N 3.16Å; G758-L840 VanDerWaalsContact CA-CD1 3.46Å
759	R	98.5	Very high	97.8	Very high	32 Å²	32	27 Å²	27	12%	0.121	14%	0.139	C	C	.	.	H	α-helix	trans	-57.8	-48	178.8	-76.1	178.8	-176.1	-140	1.5	112.4	E523 S571 Y572 E755 W756 E763	E523-R759 IonicContact OE1-CZ 2.76Å; E523-R759 IonicContact OE1-NH1 3.46Å; E523-R759 PolarHBondContact OE1-NH1 2.93Å; E523-R759 IonicContact OE1-NH2 3.57Å; E523-R759 IonicContact OE2-CZ 2.75Å; E523-R759 IonicContact OE2-NH1 3.89Å; E523-R759 PolarHBondContact OE2-NH1 2.94Å; E523-R759 IonicContact OE2-NH2 3.35Å; E523-R759 PolarHBondContact OE2-NH2 3.32Å; S571-R759 WeakPolarHBondContact CB-O 3.48Å; S571-R759 WeakPolarHBondContact O-CB 3.44Å; S571-R759 WeakPolarHBondContact O-CD 3.49Å; S571-R759 VanDerWaalsContact O-CG 3.29Å; S571-R759 WeakPolarHBondContact O-CG 3.41Å; Y572-R759 HydrophobicContact CD2-CB 4.19Å; E755-R759 WeakPolarHBondContact O-CG 3.46Å; E755-R759 PolarHBondContact O-N 3.49Å; E755-R759 IonicContact OE1-CZ 3.59Å; E755-R759 VanDerWaalsContact OE1-CZ 3.28Å; E755-R759 IonicContact OE1-NE 2.76Å; E755-R759 PolarHBondContact OE1-NE 2.96Å; E755-R759 IonicContact OE1-NH2 3.31Å; E755-R759 PolarHBondContact OE1-NH2 2.81Å; W756-R759 HydrophobicContact CE3-CB 4.29Å; W756-R759 PolarHBondContact O-N 3.1Å; R759-E763 PolarHBondContact O-N 3.33Å
760	I	97.9	Very high	97.7	Very high	20 Å²	20	27.3 Å²	27.3	10%	0.103	14%	0.138	C	C	.	.	H	α-helix	trans	-70.2	-35.5	179.1	-167.1	62	0	0	0	112	Y572 W756 G758 E763 Y764	Y572-I760 HydrophobicContact CD1-CD1 3.77Å; Y572-I760 HydrophobicContact CD2-CB 3.68Å; Y572-I760 HydrophobicContact CD2-CD1 4.23Å; Y572-I760 HydrophobicContact CD2-CG1 4.43Å; Y572-I760 HydrophobicContact CE1-CD1 4.3Å; Y572-I760 HydrophobicContact CE2-CB 4.22Å; Y572-I760 HydrophobicContact CG-CB 3.99Å; Y572-I760 HydrophobicContact CG-CD1 3.73Å; Y572-I760 HydrophobicContact CG-CG1 4.39Å; W756-I760 WeakPolarHBondContact O-CG2 3.45Å; W756-I760 PolarHBondContact O-N 3.25Å; G758-I760 PolarHBondContact O-N 3.11Å; I760-E763 PolarHBondContact O-N 3.28Å; I760-Y764 HydrophobicContact CD1-CD1 4.47Å; I760-Y764 HydrophobicContact CD1-CE1 3.87Å; I760-Y764 HydrophobicContact CD1-CE2 4.07Å; I760-Y764 HydrophobicContact CG1-CD2 4.05Å; I760-Y764 HydrophobicContact CG1-CE1 4.23Å; I760-Y764 HydrophobicContact CG1-CE2 3.49Å; I760-Y764 VanDerWaalsContact CG1-CE2 3.49Å; I760-Y764 PolarHBondContact O-N 3.45Å
761	S	96.8	Very high	97.6	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.007	12%	0.124	C	C	.	.	H	α-helix	trans	-62.3	-47.4	177.6	-61.8	0	0	0	0	111.6	A757 G758 E763 Y764 F765 I790	A757-S761 VanDerWaalsContact O-CB 3.29Å; A757-S761 WeakPolarHBondContact O-CB 3.26Å; A757-S761 PolarHBondContact O-N 2.68Å; A757-S761 PolarHBondContact O-OG 3.07Å; G758-S761 PolarHBondContact O-N 3.15Å; S761-E763 VanDerWaalsContact C-N 3.26Å; S761-E763 PolarHBondContact O-N 2.85Å; S761-Y764 PolarHBondContact O-N 2.99Å; S761-F765 WeakPolarHBondContact O-CB 3.23Å; S761-F765 WeakPolarHBondContact O-CD1 3.37Å; S761-F765 WeakPolarHBondContact O-CD2 3.31Å; S761-F765 WeakPolarHBondContact O-CG 3.15Å; S761-F765 PolarHBondContact O-N 2.8Å; S761-I790 WeakPolarHBondContact OG-CG2 3.47Å
762	E	97.9	Very high	97.4	Very high	72 Å²	72	24 Å²	24	34%	0.336	12%	0.12	S	C	.	.	H	α-helix	trans	-63.6	-31.4	177.8	-177.6	55.4	-141	0	0	112.4	G758 F765 A766 R785	G758-E762 PolarHBondContact O-N 3.16Å; E762-F765 PolarHBondContact O-N 3.12Å; E762-A766 WeakPolarHBondContact O-CB 3.36Å; E762-A766 PolarHBondContact O-N 3.43Å; E762-R785 VanDerWaalsContact CD-NH1 3.26Å; E762-R785 IonicContact OE1-CZ 3.31Å; E762-R785 VanDerWaalsContact OE1-CZ 3.31Å; E762-R785 IonicContact OE1-NH1 2.98Å; E762-R785 PolarHBondContact OE1-NH1 3.25Å; E762-R785 IonicContact OE1-NH2 2.74Å; E762-R785 PolarHBondContact OE1-NH2 3.09Å; E762-R785 IonicContact OE2-CZ 3.7Å; E762-R785 IonicContact OE2-NH1 2.73Å; E762-R785 PolarHBondContact OE2-NH1 3.33Å; E762-R785 IonicContact OE2-NH2 3.84Å
763	E	98.1	Very high	97.4	Very high	7 Å²	7	31.4 Å²	31.4	3%	0.033	15%	0.147	C	C	.	.	H	α-helix	trans	-70.8	-44	177.2	-157.3	153.8	119.4	0	0	112.5	N570 S571 Y572 H573 G619 R759 I760 S761 F765 A766 Q767	N570-E763 WeakPolarHBondContact CB-OE2 3.46Å; S571-E763 PolarHBondContact N-OE2 3.42Å; Y572-E763 PolarHBondContact N-OE2 3.44Å; H573-E763 IonicContact CE1-OE1 3.5Å; H573-E763 IonicContact CG-OE1 3.66Å; H573-E763 IonicContact ND1-OE1 3.24Å; H573-E763 PolarHBondContact ND1-OE1 2.97Å; G619-E763 VanDerWaalsContact CA-OE1 3.31Å; G619-E763 WeakPolarHBondContact CA-OE1 3.34Å; R759-E763 PolarHBondContact O-N 3.33Å; I760-E763 PolarHBondContact O-N 3.28Å; S761-E763 VanDerWaalsContact C-N 3.26Å; S761-E763 PolarHBondContact O-N 2.85Å; E763-F765 VanDerWaalsContact C-N 3.32Å; E763-F765 PolarHBondContact O-N 2.94Å; E763-A766 PolarHBondContact O-N 2.82Å; E763-Q767 PolarHBondContact O-N 3.12Å
764	Y	96.8	Very high	97.2	Very high	30 Å²	30	36.1 Å²	36.1	12%	0.118	17%	0.169	C	C	.	.	H	α-helix	trans	-64.9	-34.1	171.2	-63.7	-29.5	0	0	0	112.5	T621 I760 S761 Q767 T768 M780 F783	T621-Y764 HydrophobicContact CG2-CE1 4.24Å; I760-Y764 HydrophobicContact CD1-CD1 4.47Å; I760-Y764 HydrophobicContact CD1-CE1 3.87Å; I760-Y764 HydrophobicContact CD1-CE2 4.07Å; I760-Y764 HydrophobicContact CG1-CD2 4.05Å; I760-Y764 HydrophobicContact CG1-CE1 4.23Å; I760-Y764 HydrophobicContact CG1-CE2 3.49Å; I760-Y764 VanDerWaalsContact CG1-CE2 3.49Å; I760-Y764 PolarHBondContact O-N 3.45Å; S761-Y764 PolarHBondContact O-N 2.99Å; Y764-Q767 PolarHBondContact O-N 3.39Å; Y764-T768 WeakPolarHBondContact O-CB 3.4Å; Y764-T768 PolarHBondContact O-N 3.43Å; Y764-T768 PolarHBondContact O-OG1 3.1Å; Y764-M780 HydrophobicContact CD1-CE 3.88Å; Y764-M780 HydrophobicContact CD1-SD 3.93Å; Y764-M780 HydrophobicContact CD2-CE 3.5Å; Y764-M780 HydrophobicContact CE1-CE 3.97Å; Y764-M780 HydrophobicContact CE1-SD 4.17Å; Y764-M780 HydrophobicContact CE2-CE 3.59Å; Y764-M780 HydrophobicContact CG-CE 3.65Å; Y764-M780 HydrophobicContact CG-SD 4.16Å; Y764-F783 AromaticContact CD2-CD1 3.73Å; Y764-F783 HydrophobicContact CD2-CD1 3.73Å; Y764-F783 AromaticContact CD2-CE1 3.89Å; Y764-F783 HydrophobicContact CD2-CE1 3.89Å; Y764-F783 HydrophobicContact CD2-CG 4.25Å; Y764-F783 HydrophobicContact CE2-CE1 4.44Å; Y764-F783 HydrophobicContact CG-CD1 4.4Å
765	F	97.2	Very high	96.8	Very high	17 Å²	17	39.2 Å²	39.2	8%	0.075	20%	0.201	C	C	.	.	H	α-helix	trans	-64.4	-45.9	172.8	-62.3	-15.8	0	0	0	111.1	S761 E762 E763 Q767 T768 D769 F783 R785 C788 I790	S761-F765 WeakPolarHBondContact O-CB 3.23Å; S761-F765 WeakPolarHBondContact O-CD1 3.37Å; S761-F765 WeakPolarHBondContact O-CD2 3.31Å; S761-F765 WeakPolarHBondContact O-CG 3.15Å; S761-F765 PolarHBondContact O-N 2.8Å; E762-F765 PolarHBondContact O-N 3.12Å; E763-F765 VanDerWaalsContact C-N 3.32Å; E763-F765 PolarHBondContact O-N 2.94Å; F765-Q767 VanDerWaalsContact C-N 3.29Å; F765-Q767 PolarHBondContact O-N 3.04Å; F765-T768 PolarHBondContact O-N 2.97Å; F765-D769 WeakPolarHBondContact O-CB 3.46Å; F765-D769 PolarHBondContact O-N 3.28Å; F765-F783 HydrophobicContact CD1-CB 4.49Å; F765-F783 WeakPolarHBondContact CD1-O 3.49Å; F765-R785 HydrophobicContact CB-CB 4Å; F765-R785 HydrophobicContact CD1-CB 4.22Å; F765-R785 HydrophobicContact CD2-CB 3.57Å; F765-R785 HydrophobicContact CE2-CB 4.05Å; F765-R785 HydrophobicContact CG-CB 3.67Å; F765-C788 HydrophobicContact CE1-CB 3.59Å; F765-C788 HydrophobicContact CZ-CB 3.89Å; F765-I790 HydrophobicContact CE2-CD1 4.26Å; F765-I790 HydrophobicContact CZ-CD1 4.08Å; F765-I790 HydrophobicContact CZ-CG1 4.1Å
766	A	97.1	Very high	96.3	Very high	32 Å²	32	37.1 Å²	37.1	26%	0.264	19%	0.193	S	C	.	.	H	α-helix	trans	-64.1	-32	177.2	0	0	0	0	0	113	R620 E762 E763 E770	R620-A766 PolarHBondContact NH2-O 2.94Å; E762-A766 WeakPolarHBondContact O-CB 3.36Å; E762-A766 PolarHBondContact O-N 3.43Å; E763-A766 PolarHBondContact O-N 2.82Å; A766-E770 WeakPolarHBondContact O-CB 3.33Å; A766-E770 PolarHBondContact O-N 3.04Å
767	Q	97.5	Very high	95.8	Very high	3 Å²	3	39.6 Å²	39.6	1%	0.014	21%	0.208	C	C	.	.	H	α-helix	trans	-67.1	-52.5	169.2	175.9	169.8	-38.7	0	0	111.3	R620 T621 F624 E763 Y764 F765 D769 E770 E771 V779	R620-Q767 VanDerWaalsContact CA-OE1 3.3Å; T621-Q767 PolarHBondContact OG1-NE2 3.26Å; T621-Q767 VanDerWaalsContact OG1-NE2 3.09Å; F624-Q767 HydrophobicContact CB-CG 4.4Å; F624-Q767 HydrophobicContact CD2-CG 3.83Å; F624-Q767 HydrophobicContact CE2-CG 4.47Å; F624-Q767 HydrophobicContact CG-CG 4.32Å; E763-Q767 PolarHBondContact O-N 3.12Å; Y764-Q767 PolarHBondContact O-N 3.39Å; F765-Q767 VanDerWaalsContact C-N 3.29Å; F765-Q767 PolarHBondContact O-N 3.04Å; Q767-D769 VanDerWaalsContact C-N 3.31Å; Q767-D769 PolarHBondContact O-N 3.26Å; Q767-E770 CarbonylContact O-C 3.57Å; Q767-E770 WeakPolarHBondContact O-CA 3.4Å; Q767-E770 WeakPolarHBondContact O-CB 3.4Å; Q767-E770 PolarHBondContact O-N 3.49Å; Q767-E771 HydrophobicContact CG-CG 4.22Å; Q767-E771 WeakPolarHBondContact CG-OE1 3.42Å; Q767-E771 PolarHBondContact NE2-OE1 3.15Å; Q767-E771 WeakPolarHBondContact O-CG 3.3Å; Q767-E771 PolarHBondContact O-N 3.35Å; Q767-V779 VanDerWaalsContact NE2-CG2 3.3Å
768	T	95.4	Very high	95.4	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.221	C	C	.	.	H	α-helix	trans	-62.7	-35.8	-176.6	-63.6	0	0	0	0	112.5	Y764 F765 E770 K772 V778 F783 D784	Y764-T768 WeakPolarHBondContact O-CB 3.4Å; Y764-T768 PolarHBondContact O-N 3.43Å; Y764-T768 PolarHBondContact O-OG1 3.1Å; F765-T768 PolarHBondContact O-N 2.97Å; T768-E770 VanDerWaalsContact C-N 3.32Å; T768-K772 HydrophobicContact CG2-CD 4.33Å; T768-K772 WeakPolarHBondContact O-CD 3.16Å; T768-K772 VanDerWaalsContact O-CG 3.27Å; T768-K772 WeakPolarHBondContact O-CG 3.29Å; T768-K772 PolarHBondContact O-N 3.43Å; T768-V778 HydrophobicContact CG2-CG1 4.02Å; T768-F783 VanDerWaalsContact CB-O 3.28Å; T768-F783 WeakPolarHBondContact CB-O 3.48Å; T768-F783 PolarHBondContact OG1-O 3.13Å; T768-F783 VanDerWaalsContact OG1-O 3.05Å; T768-D784 HydrophobicContact CG2-CB 4.27Å
769	D	96.6	Very high	94.6	Very high	53 Å²	53	42 Å²	42	28%	0.283	22%	0.221	S	C	.	.	H	α-helix	trans	-64.2	-36.4	171.1	-70.7	-31.4	0	0	0	112.1	F765 Q767 R773 R785	F765-D769 WeakPolarHBondContact O-CB 3.46Å; F765-D769 PolarHBondContact O-N 3.28Å; Q767-D769 VanDerWaalsContact C-N 3.31Å; Q767-D769 PolarHBondContact O-N 3.26Å; D769-R773 WeakPolarHBondContact O-CB 3.24Å; D769-R773 PolarHBondContact O-N 2.9Å; D769-R785 IonicContact OD1-NE 3.78Å; D769-R785 IonicContact OD2-CZ 3.18Å; D769-R785 IonicContact OD2-NE 2.73Å; D769-R785 PolarHBondContact OD2-NE 3.11Å; D769-R785 IonicContact OD2-NH2 2.79Å; D769-R785 PolarHBondContact OD2-NH2 3.14Å
770	E	96.8	Very high	93.9	Very high	34 Å²	34	40.5 Å²	40.5	16%	0.159	22%	0.215	C	C	.	.	H	α-helix	trans	-74	-43	177.2	177.8	146.3	-125	0	0	112.6	R620 F624 A766 Q767 T768 K772 R773 Q774	R620-E770 IonicContact CZ-OE2 2.77Å; R620-E770 IonicContact NE-OE2 3.6Å; R620-E770 PolarHBondContact NE-OE2 3.35Å; R620-E770 IonicContact NH2-OE2 2.67Å; R620-E770 PolarHBondContact NH2-OE2 2.85Å; F624-E770 HydrophobicContact CE2-CB 4.45Å; F624-E770 HydrophobicContact CE2-CG 3.98Å; F624-E770 HydrophobicContact CZ-CG 3.9Å; A766-E770 WeakPolarHBondContact O-CB 3.33Å; A766-E770 PolarHBondContact O-N 3.04Å; Q767-E770 CarbonylContact O-C 3.57Å; Q767-E770 WeakPolarHBondContact O-CA 3.4Å; Q767-E770 WeakPolarHBondContact O-CB 3.4Å; Q767-E770 PolarHBondContact O-N 3.49Å; T768-E770 VanDerWaalsContact C-N 3.32Å; E770-K772 VanDerWaalsContact C-N 3.33Å; E770-K772 PolarHBondContact O-N 2.85Å; E770-R773 PolarHBondContact O-N 3.02Å; E770-R773 VanDerWaalsContact O-N 3.14Å; E770-R773 IonicContact OE1-CZ 3.44Å; E770-R773 IonicContact OE1-NH1 3.39Å; E770-R773 PolarHBondContact OE1-NH1 3.04Å; E770-R773 IonicContact OE1-NH2 3.67Å; E770-R773 PolarHBondContact OE1-NH2 3.34Å; E770-R773 IonicContact OE2-NH2 3.89Å; E770-Q774 HydrophobicContact CG-CG 4.14Å; E770-Q774 WeakPolarHBondContact O-CB 3.3Å; E770-Q774 WeakPolarHBondContact O-CG 3.42Å; E770-Q774 PolarHBondContact O-N 3.48Å; E770-Q774 PolarHBondContact OE1-NE2 2.8Å
771	E	96.3	Very high	93	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-54.8	-50.4	174.7	-71.1	171.6	170	0	0	110.3	F624 Q767 R773 Q774 G775 L776 V778 V779	F624-E771 HydrophobicContact CD2-CG 3.55Å; F624-E771 HydrophobicContact CE2-CG 3.82Å; Q767-E771 HydrophobicContact CG-CG 4.22Å; Q767-E771 WeakPolarHBondContact CG-OE1 3.42Å; Q767-E771 PolarHBondContact NE2-OE1 3.15Å; Q767-E771 WeakPolarHBondContact O-CG 3.3Å; Q767-E771 PolarHBondContact O-N 3.35Å; E771-R773 PolarHBondContact O-N 2.94Å; E771-Q774 PolarHBondContact O-N 3.11Å; E771-G775 PolarHBondContact O-N 3.05Å; E771-L776 HydrophobicContact CB-CB 4.4Å; E771-L776 PolarHBondContact O-N 3.09Å; E771-V778 HydrophobicContact CB-CG2 3.95Å; E771-V778 WeakPolarHBondContact OE2-CA 3.36Å; E771-V779 VanDerWaalsContact OE1-CG2 3.32Å; E771-V779 WeakPolarHBondContact OE1-CG2 3.5Å; E771-V779 PolarHBondContact OE2-N 3.12Å
772	K	95.1	Very high	92.4	Very high	92 Å²	92	43.5 Å²	43.5	40%	0.4	24%	0.235	S	C	.	.	H	α-helix	trans	-61	-42.4	174.9	-69.4	168	-172.8	166.4	0	113	T768 E770 G775 V778 D784	T768-K772 HydrophobicContact CG2-CD 4.33Å; T768-K772 WeakPolarHBondContact O-CD 3.16Å; T768-K772 VanDerWaalsContact O-CG 3.27Å; T768-K772 WeakPolarHBondContact O-CG 3.29Å; T768-K772 PolarHBondContact O-N 3.43Å; E770-K772 VanDerWaalsContact C-N 3.33Å; E770-K772 PolarHBondContact O-N 2.85Å; K772-G775 PolarHBondContact O-N 3.39Å; K772-V778 HydrophobicContact CG-CG2 3.81Å; K772-D784 IonicContact NZ-OD1 3.52Å; K772-D784 IonicContact NZ-OD2 2.65Å; K772-D784 PolarHBondContact NZ-OD2 3.5Å
773	R	97.3	Very high	92	Very high	171 Å²	171	40.3 Å²	40.3	65%	0.645	22%	0.22	S	C	*	.	H	α-helix	trans	-67.5	-34.7	-179.9	171.3	171.7	53.2	81.8	-4.6	112.8	D769 E770 E771	D769-R773 WeakPolarHBondContact O-CB 3.24Å; D769-R773 PolarHBondContact O-N 2.9Å; E770-R773 PolarHBondContact O-N 3.02Å; E770-R773 VanDerWaalsContact O-N 3.14Å; E770-R773 IonicContact OE1-CZ 3.44Å; E770-R773 IonicContact OE1-NH1 3.39Å; E770-R773 PolarHBondContact OE1-NH1 3.04Å; E770-R773 IonicContact OE1-NH2 3.67Å; E770-R773 PolarHBondContact OE1-NH2 3.34Å; E770-R773 IonicContact OE2-NH2 3.89Å; E771-R773 PolarHBondContact O-N 2.94Å
774	Q	93.6	Very high	91.7	Very high	99 Å²	99	41.2 Å²	41.2	46%	0.463	23%	0.225	S	C	.	.	H	α-helix	trans	-89	-12.4	178.7	-64.8	-165.4	30	0	0	113	E770 E771 L776	E770-Q774 HydrophobicContact CG-CG 4.14Å; E770-Q774 WeakPolarHBondContact O-CB 3.3Å; E770-Q774 WeakPolarHBondContact O-CG 3.42Å; E770-Q774 PolarHBondContact O-N 3.48Å; E770-Q774 PolarHBondContact OE1-NE2 2.8Å; E771-Q774 PolarHBondContact O-N 3.11Å; Q774-L776 VanDerWaalsContact C-N 3.32Å; Q774-L776 HydrophobicContact CB-CD1 4.1Å; Q774-L776 HydrophobicContact CB-CG 3.88Å
775	G	91.8	Very high	91.5	Very high	68 Å²	68	44.4 Å²	44.4	70%	0.701	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.3	19.6	-174.9	0	0	0	0	0	113.6	E771 K772	E771-G775 PolarHBondContact O-N 3.05Å; K772-G775 PolarHBondContact O-N 3.39Å
776	L	87.9	Confident	91.3	Very high	33 Å²	33	49.6 Å²	49.6	17%	0.173	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-73.8	158.4	176.2	-62.6	174.2	0	0	0	110.7	F624 A628 E771 Q774 V778	F624-L776 HydrophobicContact CD2-CD1 4.39Å; F624-L776 HydrophobicContact CE2-CD1 3.88Å; F624-L776 HydrophobicContact CZ-CD1 4.28Å; A628-L776 HydrophobicContact CB-CD1 3.95Å; E771-L776 HydrophobicContact CB-CB 4.4Å; E771-L776 PolarHBondContact O-N 3.09Å; Q774-L776 VanDerWaalsContact C-N 3.32Å; Q774-L776 HydrophobicContact CB-CD1 4.1Å; Q774-L776 HydrophobicContact CB-CG 3.88Å; L776-V778 PolarHBondContact O-N 3.28Å; L776-V778 VanDerWaalsContact O-N 3.15Å
777	P	87.5	Confident	91	Very high	52 Å²	52	52.7 Å²	52.7	34%	0.338	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-59.3	118	168.5	-18.5	31.3	0	0	0	109.9	V779	P777-V779 WeakPolarHBondContact O-CG1 3.07Å; P777-V779 PolarHBondContact O-N 3.49Å
778	V	89	Confident	90.7	Very high	47 Å²	47	53 Å²	53	29%	0.285	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-68.8	117.3	176.8	175.7	0	0	0	0	108.9	T768 E771 K772 L776 P781	T768-V778 HydrophobicContact CG2-CG1 4.02Å; E771-V778 HydrophobicContact CB-CG2 3.95Å; E771-V778 WeakPolarHBondContact OE2-CA 3.36Å; K772-V778 HydrophobicContact CG-CG2 3.81Å; L776-V778 PolarHBondContact O-N 3.28Å; L776-V778 VanDerWaalsContact O-N 3.15Å; V778-P781 HydrophobicContact CG1-CB 4.47Å; V778-P781 HydrophobicContact CG1-CG 4.33Å
779	V	82.1	Confident	90.6	Very high	19 Å²	19	53.2 Å²	53.2	12%	0.115	29%	0.286	C	S	.	.	S	Bend	trans	-90.3	-15.9	-172.7	-49.3	0	0	0	0	113.2	G464 N627 Q767 E771 P777	G464-V779 PolarHBondContact N-O 2.92Å; N627-V779 WeakPolarHBondContact ND2-CG1 3.4Å; Q767-V779 VanDerWaalsContact NE2-CG2 3.3Å; E771-V779 VanDerWaalsContact OE1-CG2 3.32Å; E771-V779 WeakPolarHBondContact OE1-CG2 3.5Å; E771-V779 PolarHBondContact OE2-N 3.12Å; P777-V779 WeakPolarHBondContact O-CG1 3.07Å; P777-V779 PolarHBondContact O-N 3.49Å
780	M	82.9	Confident	90.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.276	C	S	.	.			trans	-132.4	67.1	178.7	-67.9	172.8	78.3	0	0	111.8	L461 T621 Y764 V782 F783	L461-M780 HydrophobicContact CD1-CE 4.05Å; T621-M780 HydrophobicContact CG2-SD 4.39Å; Y764-M780 HydrophobicContact CD1-CE 3.88Å; Y764-M780 HydrophobicContact CD1-SD 3.93Å; Y764-M780 HydrophobicContact CD2-CE 3.5Å; Y764-M780 HydrophobicContact CE1-CE 3.97Å; Y764-M780 HydrophobicContact CE1-SD 4.17Å; Y764-M780 HydrophobicContact CE2-CE 3.59Å; Y764-M780 HydrophobicContact CG-CE 3.65Å; Y764-M780 HydrophobicContact CG-SD 4.16Å; M780-V782 VanDerWaalsContact C-N 3.32Å; M780-V782 PolarHBondContact O-N 2.78Å; M780-F783 HydrophobicContact CB-CB 4.04Å; M780-F783 HydrophobicContact CB-CD2 4.02Å; M780-F783 HydrophobicContact CB-CG 4.42Å; M780-F783 HydrophobicContact CE-CB 4.48Å; M780-F783 HydrophobicContact CE-CD1 4.47Å; M780-F783 HydrophobicContact CE-CD2 3.56Å; M780-F783 HydrophobicContact CE-CE2 3.8Å; M780-F783 HydrophobicContact CE-CG 3.92Å; M780-F783 HydrophobicContact CE-CZ 4.35Å; M780-F783 PolarHBondContact O-N 2.62Å
781	P	79.5	Confident	90.4	Very high	66 Å²	66	49.9 Å²	49.9	43%	0.429	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-36.7	-171.5	-22.1	28.9	0	0	0	115.6	D460 V778 F783	D460-P781 VanDerWaalsContact OD2-CB 3.25Å; D460-P781 WeakPolarHBondContact OD2-CB 3.3Å; D460-P781 VanDerWaalsContact OD2-CD 3.25Å; D460-P781 WeakPolarHBondContact OD2-CD 3.36Å; V778-P781 HydrophobicContact CG1-CB 4.47Å; V778-P781 HydrophobicContact CG1-CG 4.33Å; P781-F783 VanDerWaalsContact C-N 3.31Å; P781-F783 PolarHBondContact O-N 3.48Å
782	V	83.8	Confident	90.2	Very high	17 Å²	17	52.1 Å²	52.1	10%	0.103	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-29.2	173.2	158.2	0	0	0	0	113.2	P456 H457 D460 M780 D784 C788	P456-V782 HydrophobicContact CB-CG2 4.18Å; H457-V782 HydrophobicContact CB-CG1 4.3Å; H457-V782 VanDerWaalsContact CD2-CG1 3.49Å; H457-V782 WeakPolarHBondContact CD2-CG1 3.32Å; D460-V782 HydrophobicContact CB-CB 3.99Å; D460-V782 HydrophobicContact CB-CG2 4.19Å; D460-V782 WeakPolarHBondContact OD2-CB 3.32Å; D460-V782 VanDerWaalsContact OD2-CG2 3.3Å; D460-V782 WeakPolarHBondContact OD2-CG2 3.24Å; D460-V782 PolarHBondContact OD2-N 2.81Å; M780-V782 VanDerWaalsContact C-N 3.32Å; M780-V782 PolarHBondContact O-N 2.78Å; V782-D784 PolarHBondContact O-N 3.44Å; V782-C788 WeakPolarHBondContact O-CA 3.26Å; V782-C788 WeakPolarHBondContact O-CB 3.02Å
783	F	90.4	Very high	90.1	Very high	6 Å²	6	47.9 Å²	47.9	3%	0.026	26%	0.26	C	S	.	.			trans	-84.5	47.4	179.5	-67.8	-93.8	0	0	0	112.1	L461 Y764 F765 T768 M780 P781	L461-F783 HydrophobicContact CB-CE2 4.02Å; L461-F783 HydrophobicContact CB-CZ 4.43Å; L461-F783 HydrophobicContact CD1-CE2 3.92Å; L461-F783 HydrophobicContact CD1-CZ 3.85Å; L461-F783 HydrophobicContact CG-CE2 4.47Å; L461-F783 HydrophobicContact CG-CZ 4.49Å; Y764-F783 AromaticContact CD2-CD1 3.73Å; Y764-F783 HydrophobicContact CD2-CD1 3.73Å; Y764-F783 AromaticContact CD2-CE1 3.89Å; Y764-F783 HydrophobicContact CD2-CE1 3.89Å; Y764-F783 HydrophobicContact CD2-CG 4.25Å; Y764-F783 HydrophobicContact CE2-CE1 4.44Å; Y764-F783 HydrophobicContact CG-CD1 4.4Å; F765-F783 HydrophobicContact CD1-CB 4.49Å; F765-F783 WeakPolarHBondContact CD1-O 3.49Å; T768-F783 VanDerWaalsContact CB-O 3.28Å; T768-F783 WeakPolarHBondContact CB-O 3.48Å; T768-F783 PolarHBondContact OG1-O 3.13Å; T768-F783 VanDerWaalsContact OG1-O 3.05Å; M780-F783 HydrophobicContact CB-CB 4.04Å; M780-F783 HydrophobicContact CB-CD2 4.02Å; M780-F783 HydrophobicContact CB-CG 4.42Å; M780-F783 HydrophobicContact CE-CB 4.48Å; M780-F783 HydrophobicContact CE-CD1 4.47Å; M780-F783 HydrophobicContact CE-CD2 3.56Å; M780-F783 HydrophobicContact CE-CE2 3.8Å; M780-F783 HydrophobicContact CE-CG 3.92Å; M780-F783 HydrophobicContact CE-CZ 4.35Å; M780-F783 PolarHBondContact O-N 2.62Å; P781-F783 VanDerWaalsContact C-N 3.31Å; P781-F783 PolarHBondContact O-N 3.48Å
784	D	90.7	Very high	90	Very high	25 Å²	25	40.6 Å²	40.6	13%	0.134	23%	0.233	C	C	.	.			trans	-92.5	125.9	164.5	176.2	-6	0	0	0	108.9	T768 K772 V782 N786 T787 C788	T768-D784 HydrophobicContact CG2-CB 4.27Å; K772-D784 IonicContact NZ-OD1 3.52Å; K772-D784 IonicContact NZ-OD2 2.65Å; K772-D784 PolarHBondContact NZ-OD2 3.5Å; V782-D784 PolarHBondContact O-N 3.44Å; D784-N786 PolarHBondContact O-N 3.31Å; D784-N786 WeakPolarHBondContact OD1-CB 3.34Å; D784-N786 PolarHBondContact OD1-N 2.8Å; D784-N786 PolarHBondContact OD1-ND2 2.92Å; D784-T787 WeakPolarHBondContact CB-OG1 3.48Å; D784-T787 PolarHBondContact O-N 2.99Å; D784-C788 VanDerWaalsContact O-CB 3.26Å; D784-C788 WeakPolarHBondContact O-CB 3.34Å; D784-C788 PolarHBondContact O-N 3.11Å
785	R	93.9	Very high	90.1	Very high	97 Å²	97	36.2 Å²	36.2	37%	0.366	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-17.9	177.4	66.8	175.2	72.2	-110.9	4.5	114.5	E762 F765 D769	E762-R785 VanDerWaalsContact CD-NH1 3.26Å; E762-R785 IonicContact OE1-CZ 3.31Å; E762-R785 VanDerWaalsContact OE1-CZ 3.31Å; E762-R785 IonicContact OE1-NH1 2.98Å; E762-R785 PolarHBondContact OE1-NH1 3.25Å; E762-R785 IonicContact OE1-NH2 2.74Å; E762-R785 PolarHBondContact OE1-NH2 3.09Å; E762-R785 IonicContact OE2-CZ 3.7Å; E762-R785 IonicContact OE2-NH1 2.73Å; E762-R785 PolarHBondContact OE2-NH1 3.33Å; E762-R785 IonicContact OE2-NH2 3.84Å; F765-R785 HydrophobicContact CB-CB 4Å; F765-R785 HydrophobicContact CD1-CB 4.22Å; F765-R785 HydrophobicContact CD2-CB 3.57Å; F765-R785 HydrophobicContact CE2-CB 4.05Å; F765-R785 HydrophobicContact CG-CB 3.67Å; D769-R785 IonicContact OD1-NE 3.78Å; D769-R785 IonicContact OD2-CZ 3.18Å; D769-R785 IonicContact OD2-NE 2.73Å; D769-R785 PolarHBondContact OD2-NE 3.11Å; D769-R785 IonicContact OD2-NH2 2.79Å; D769-R785 PolarHBondContact OD2-NH2 3.14Å
786	N	91.3	Very high	90	Very high	127 Å²	127	33.1 Å²	33.1	68%	0.679	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-13.1	-179.9	-56.1	-83.4	0	0	0	113.6	D784	D784-N786 PolarHBondContact O-N 3.31Å; D784-N786 WeakPolarHBondContact OD1-CB 3.34Å; D784-N786 PolarHBondContact OD1-N 2.8Å; D784-N786 PolarHBondContact OD1-ND2 2.92Å
787	T	90.9	Very high	90.2	Very high	96 Å²	96	33 Å²	33	59%	0.589	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-137.9	-19.1	-173.9	62.4	0	0	0	0	115	D784 S789	D784-T787 WeakPolarHBondContact CB-OG1 3.48Å; D784-T787 PolarHBondContact O-N 2.99Å; T787-S789 PolarHBondContact O-N 2.88Å
788	C	91.4	Very high	90.5	Very high	11 Å²	11	30.7 Å²	30.7	7%	0.074	16%	0.164	C	C	.	.			trans	-63.7	130	-177.2	-172.4	0	0	0	0	112.4	F765 V782 D784	F765-C788 HydrophobicContact CE1-CB 3.59Å; F765-C788 HydrophobicContact CZ-CB 3.89Å; V782-C788 WeakPolarHBondContact O-CA 3.26Å; V782-C788 WeakPolarHBondContact O-CB 3.02Å; D784-C788 VanDerWaalsContact O-CB 3.26Å; D784-C788 WeakPolarHBondContact O-CB 3.34Å; D784-C788 PolarHBondContact O-N 3.11Å
789	S	93.8	Very high	90.5	Very high	5 Å²	5	32.6 Å²	32.6	4%	0.035	17%	0.172	C	C	.	.			trans	-96	95.5	168.4	-172.3	0	0	0	0	109.4	T787 K792 S793 H838	T787-S789 PolarHBondContact O-N 2.88Å; S789-K792 WeakPolarHBondContact O-CA 3.48Å; S789-K792 WeakPolarHBondContact O-CB 3.19Å; S789-K792 PolarHBondContact O-N 2.99Å; S789-S793 PolarHBondContact O-N 2.83Å; S789-S793 PolarHBondContact O-OG 3.25Å; S789-H838 VanDerWaalsContact CB-ND1 3.34Å; S789-H838 WeakPolarHBondContact CB-ND1 3.46Å; S789-H838 PolarHBondContact OG-ND1 3.05Å
790	I	93.9	Very high	90.6	Very high	17 Å²	17	35.4 Å²	35.4	9%	0.087	18%	0.181	C	C	.	.	H	α-helix	trans	-58.1	-45.1	-171.9	-57.3	170.4	0	0	0	112.6	S761 F765 K792 S793 Q794 H838 L840	S761-I790 WeakPolarHBondContact OG-CG2 3.47Å; F765-I790 HydrophobicContact CE2-CD1 4.26Å; F765-I790 HydrophobicContact CZ-CD1 4.08Å; F765-I790 HydrophobicContact CZ-CG1 4.1Å; I790-K792 PolarHBondContact O-N 2.96Å; I790-S793 PolarHBondContact O-N 3.29Å; I790-Q794 HydrophobicContact CG2-CG 4.27Å; I790-Q794 WeakPolarHBondContact O-CG 3.46Å; I790-Q794 PolarHBondContact O-N 3.05Å; I790-H838 PolarHBondContact N-O 3.24Å; I790-H838 VanDerWaalsContact N-O 3.15Å; I790-L840 HydrophobicContact CB-CD2 4.46Å; I790-L840 HydrophobicContact CD1-CD2 4.24Å; I790-L840 HydrophobicContact CD1-CG 4.07Å; I790-L840 HydrophobicContact CG2-CD2 3.66Å
791	P	94.8	Very high	90.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-56.3	-37	175.2	-28.9	38.9	0	0	0	113.1	Q794 I795 W829 L832 L837 H838 T839	P791-Q794 PolarHBondContact O-N 2.86Å; P791-I795 WeakPolarHBondContact O-CD1 3.41Å; P791-I795 VanDerWaalsContact O-CG1 3.27Å; P791-I795 WeakPolarHBondContact O-CG1 3.45Å; P791-I795 PolarHBondContact O-N 3.16Å; P791-W829 HydrophobicContact CB-CB 4.37Å; P791-W829 HydrophobicContact CB-CE3 3.74Å; P791-W829 HydrophobicContact CB-CZ3 4.49Å; P791-W829 HydrophobicContact CG-CE3 3.88Å; P791-W829 HydrophobicContact CG-CZ3 4.17Å; P791-L832 HydrophobicContact CB-CB 3.88Å; P791-L832 HydrophobicContact CB-CD1 4.46Å; P791-L832 HydrophobicContact CG-CB 3.77Å; P791-L832 HydrophobicContact CG-CD1 3.86Å; P791-L832 HydrophobicContact CG-CG 4.48Å; P791-L837 WeakPolarHBondContact CG-O 3.3Å; P791-H838 WeakPolarHBondContact CD-O 3.26Å; P791-T839 WeakPolarHBondContact CG-O 3.48Å
792	K	92.7	Very high	91.7	Very high	47 Å²	47	32.3 Å²	32.3	20%	0.204	16%	0.161	C	C	.	.	H	α-helix	trans	-73.4	-41.7	179.8	-165.2	176.8	171.3	-161.5	0	112.4	D455 H457 S789 I790 Q794 I795 S796	D455-K792 VanDerWaalsContact CG-CE 3.48Å; D455-K792 WeakPolarHBondContact OD1-CE 3.22Å; D455-K792 IonicContact OD1-NZ 3.36Å; D455-K792 PolarHBondContact OD1-NZ 3.13Å; D455-K792 WeakPolarHBondContact OD2-CE 3.46Å; D455-K792 IonicContact OD2-NZ 2.78Å; D455-K792 PolarHBondContact OD2-NZ 3.49Å; H457-K792 PolarHBondContact ND1-NZ 3.44Å; S789-K792 WeakPolarHBondContact O-CA 3.48Å; S789-K792 WeakPolarHBondContact O-CB 3.19Å; S789-K792 PolarHBondContact O-N 2.99Å; I790-K792 PolarHBondContact O-N 2.96Å; K792-Q794 VanDerWaalsContact C-N 3.3Å; K792-Q794 PolarHBondContact O-N 3.01Å; K792-I795 WeakPolarHBondContact O-CB 3.22Å; K792-I795 PolarHBondContact O-N 3.2Å; K792-S796 PolarHBondContact O-N 3.4Å; K792-S796 PolarHBondContact O-OG 3.05Å
793	S	93.3	Very high	92.1	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.014	17%	0.169	C	C	.	.	H	α-helix	trans	-62.2	-37	172.2	-61.1	0	0	0	0	112.2	S789 I790 S796 F797	S789-S793 PolarHBondContact O-N 2.83Å; S789-S793 PolarHBondContact O-OG 3.25Å; I790-S793 PolarHBondContact O-N 3.29Å; S793-S796 PolarHBondContact O-N 3.43Å; S793-F797 WeakPolarHBondContact O-CB 3.34Å; S793-F797 PolarHBondContact O-N 3.02Å
794	Q	95.5	Very high	92.2	Very high	18 Å²	18	38.8 Å²	38.8	8%	0.084	20%	0.197	C	C	.	.	H	α-helix	trans	-67	-41.1	174.1	-71	-63.4	-49.2	0	0	112.3	A757 I790 P791 K792 F797 I798 W829	A757-Q794 HydrophobicContact CB-CG 3.9Å; I790-Q794 HydrophobicContact CG2-CG 4.27Å; I790-Q794 WeakPolarHBondContact O-CG 3.46Å; I790-Q794 PolarHBondContact O-N 3.05Å; P791-Q794 PolarHBondContact O-N 2.86Å; K792-Q794 VanDerWaalsContact C-N 3.3Å; K792-Q794 PolarHBondContact O-N 3.01Å; Q794-F797 PolarHBondContact O-N 3.27Å; Q794-I798 WeakPolarHBondContact O-CB 3.49Å; Q794-I798 WeakPolarHBondContact O-CD1 3.35Å; Q794-I798 VanDerWaalsContact O-CG1 3.25Å; Q794-I798 WeakPolarHBondContact O-CG1 3.32Å; Q794-I798 PolarHBondContact O-N 2.91Å; Q794-W829 HydrophobicContact CB-CD2 3.99Å; Q794-W829 HydrophobicContact CB-CG 3.92Å; Q794-W829 HydrophobicContact CG-CD2 4.28Å; Q794-W829 HydrophobicContact CG-CZ2 4.1Å
795	I	94.6	Very high	92.5	Very high	7 Å²	7	37.6 Å²	37.6	4%	0.036	19%	0.191	C	C	.	.	H	α-helix	trans	-55.9	-53.8	170	-74.8	158.3	0	0	0	110.7	P791 K792 F797 I798 D799 F826 W829 K830 D833	P791-I795 WeakPolarHBondContact O-CD1 3.41Å; P791-I795 VanDerWaalsContact O-CG1 3.27Å; P791-I795 WeakPolarHBondContact O-CG1 3.45Å; P791-I795 PolarHBondContact O-N 3.16Å; K792-I795 WeakPolarHBondContact O-CB 3.22Å; K792-I795 PolarHBondContact O-N 3.2Å; I795-F797 VanDerWaalsContact C-N 3.29Å; I795-F797 PolarHBondContact O-N 2.93Å; I795-I798 PolarHBondContact O-N 3.45Å; I795-I798 VanDerWaalsContact O-N 3.13Å; I795-D799 WeakPolarHBondContact CG2-OD2 3.49Å; I795-D799 WeakPolarHBondContact O-CB 3.38Å; I795-D799 PolarHBondContact O-N 2.83Å; I795-F826 HydrophobicContact CB-CE2 4.5Å; I795-F826 HydrophobicContact CG1-CE2 4.42Å; I795-F826 HydrophobicContact CG2-CE2 4.13Å; I795-W829 HydrophobicContact CD1-CB 4.23Å; I795-W829 HydrophobicContact CG1-CB 3.88Å; I795-K830 HydrophobicContact CD1-CD 3.68Å; I795-K830 HydrophobicContact CD1-CG 4.01Å; I795-K830 HydrophobicContact CG1-CD 4.12Å; I795-K830 HydrophobicContact CG1-CG 4.2Å; I795-K830 HydrophobicContact CG2-CD 4.49Å; I795-D833 HydrophobicContact CD1-CB 3.98Å
796	S	90.8	Very high	92.7	Very high	4 Å²	4	33 Å²	33	3%	0.028	17%	0.173	C	C	.	.	H	α-helix	trans	-57.4	-40.7	179.6	-75.8	0	0	0	0	112.5	T458 K792 S793 Y800	T458-S796 VanDerWaalsContact OG1-CB 3.29Å; T458-S796 WeakPolarHBondContact OG1-CB 3.4Å; T458-S796 PolarHBondContact OG1-OG 3.44Å; K792-S796 PolarHBondContact O-N 3.4Å; K792-S796 PolarHBondContact O-OG 3.05Å; S793-S796 PolarHBondContact O-N 3.43Å; S796-Y800 WeakPolarHBondContact O-CB 3.15Å; S796-Y800 PolarHBondContact O-N 3.18Å; S796-Y800 VanDerWaalsContact O-N 3.08Å
797	F	91.9	Very high	92.9	Very high	31 Å²	31	31.2 Å²	31.2	14%	0.136	16%	0.164	C	C	.	.	H	α-helix	trans	-64.5	-44.6	176.1	-173.6	-122.7	0	0	0	112.1	L461 I743 P746 S793 Q794 I795 F801 I802	L461-F797 HydrophobicContact CD2-CB 3.76Å; L461-F797 HydrophobicContact CD2-CD2 3.88Å; L461-F797 HydrophobicContact CD2-CG 4.26Å; I743-F797 HydrophobicContact CB-CZ 4.04Å; I743-F797 HydrophobicContact CD1-CZ 4.29Å; I743-F797 HydrophobicContact CG2-CZ 4.13Å; P746-F797 HydrophobicContact CG-CD1 4.25Å; P746-F797 HydrophobicContact CG-CE1 4.2Å; S793-F797 WeakPolarHBondContact O-CB 3.34Å; S793-F797 PolarHBondContact O-N 3.02Å; Q794-F797 PolarHBondContact O-N 3.27Å; I795-F797 VanDerWaalsContact C-N 3.29Å; I795-F797 PolarHBondContact O-N 2.93Å; F797-F801 HydrophobicContact CD2-CB 4.4Å; F797-F801 AromaticContact CD2-CD2 3.54Å; F797-F801 HydrophobicContact CD2-CD2 3.54Å; F797-F801 HydrophobicContact CD2-CE2 4.2Å; F797-F801 HydrophobicContact CD2-CG 4.33Å; F797-F801 HydrophobicContact CE2-CB 4.27Å; F797-F801 AromaticContact CE2-CD2 3.84Å; F797-F801 HydrophobicContact CE2-CD2 3.84Å; F797-F801 HydrophobicContact CE2-CG 4.27Å; F797-F801 PolarHBondContact O-N 3.36Å; F797-I802 HydrophobicContact CD1-CD1 4.21Å; F797-I802 HydrophobicContact CD1-CG1 3.98Å; F797-I802 HydrophobicContact CE1-CD1 3.64Å; F797-I802 HydrophobicContact CE1-CG1 3.95Å; F797-I802 HydrophobicContact CZ-CD1 3.89Å; F797-I802 HydrophobicContact CZ-CG1 4.46Å; F797-I802 PolarHBondContact O-N 3.15Å
798	I	94.4	Very high	93.2	Very high	2 Å²	2	27 Å²	27	1%	0.01	14%	0.139	C	C	.	.	I	π-helix	trans	-66	-47.5	179.6	-68.6	163.8	0	0	0	111.5	P746 Q794 I795 Y800 I802 T803 L822 F826	P746-I798 HydrophobicContact CB-CD1 4.02Å; P746-I798 HydrophobicContact CB-CG1 3.83Å; P746-I798 HydrophobicContact CG-CG1 4.22Å; Q794-I798 WeakPolarHBondContact O-CB 3.49Å; Q794-I798 WeakPolarHBondContact O-CD1 3.35Å; Q794-I798 VanDerWaalsContact O-CG1 3.25Å; Q794-I798 WeakPolarHBondContact O-CG1 3.32Å; Q794-I798 PolarHBondContact O-N 2.91Å; I795-I798 PolarHBondContact O-N 3.45Å; I795-I798 VanDerWaalsContact O-N 3.13Å; I798-Y800 VanDerWaalsContact C-N 3.31Å; I798-Y800 PolarHBondContact O-N 2.95Å; I798-I802 HydrophobicContact CG1-CG1 4.43Å; I798-I802 PolarHBondContact O-N 3.1Å; I798-T803 WeakPolarHBondContact O-CB 3.36Å; I798-T803 PolarHBondContact O-N 3.44Å; I798-T803 PolarHBondContact O-OG1 3.22Å; I798-L822 HydrophobicContact CD1-CD1 4.48Å; I798-L822 HydrophobicContact CG1-CD1 4.3Å; I798-L822 HydrophobicContact CG2-CD1 3.88Å; I798-F826 HydrophobicContact CB-CD2 4.04Å; I798-F826 HydrophobicContact CB-CE2 4.48Å; I798-F826 HydrophobicContact CD1-CD2 4.24Å; I798-F826 HydrophobicContact CG2-CD2 3.61Å; I798-F826 HydrophobicContact CG2-CE2 4.18Å; I798-F826 HydrophobicContact CG2-CG 4.44Å
799	D	88.8	Confident	93.5	Very high	87 Å²	87	26.5 Å²	26.5	47%	0.465	14%	0.136	S	C	.	.	I	π-helix	trans	-65.3	-30.8	-179.7	-79.1	-35.6	0	0	0	112.2	I795 F826 K830	I795-D799 WeakPolarHBondContact CG2-OD2 3.49Å; I795-D799 WeakPolarHBondContact O-CB 3.38Å; I795-D799 PolarHBondContact O-N 2.83Å; D799-F826 VanDerWaalsContact OD1-CE2 3.28Å; D799-F826 WeakPolarHBondContact OD1-CE2 3.13Å; D799-F826 VanDerWaalsContact OD1-CZ 3.27Å; D799-F826 WeakPolarHBondContact OD1-CZ 3.49Å; D799-K830 IonicContact OD2-NZ 2.68Å
800	Y	83.9	Confident	93.7	Very high	78 Å²	78	28.4 Å²	28.4	31%	0.306	15%	0.145	S	C	.	.	I	π-helix	trans	-100.3	-32.2	-171.9	-165.1	-88.9	0	0	0	115.6	T458 V462 M466 F691 S796 I798	T458-Y800 HydrophobicContact CG2-CD2 3.49Å; T458-Y800 VanDerWaalsContact CG2-CD2 3.49Å; T458-Y800 HydrophobicContact CG2-CE2 4.1Å; T458-Y800 HydrophobicContact CG2-CG 3.87Å; V462-Y800 HydrophobicContact CG2-CD1 3.75Å; V462-Y800 HydrophobicContact CG2-CE1 3.26Å; V462-Y800 HydrophobicContact CG2-CE2 4.16Å; V462-Y800 HydrophobicContact CG2-CG 4.37Å; M466-Y800 HydrophobicContact SD-CE1 4.48Å; F691-Y800 HydrophobicContact CE2-CD1 4.46Å; F691-Y800 AromaticContact CE2-CE1 3.61Å; F691-Y800 HydrophobicContact CE2-CE1 3.61Å; F691-Y800 AromaticContact CZ-CD1 3.89Å; F691-Y800 HydrophobicContact CZ-CD1 3.89Å; F691-Y800 AromaticContact CZ-CE1 3.43Å; F691-Y800 HydrophobicContact CZ-CE1 3.43Å; F691-Y800 VanDerWaalsContact CZ-CE1 3.43Å; S796-Y800 WeakPolarHBondContact O-CB 3.15Å; S796-Y800 PolarHBondContact O-N 3.18Å; S796-Y800 VanDerWaalsContact O-N 3.08Å; I798-Y800 VanDerWaalsContact C-N 3.31Å; I798-Y800 PolarHBondContact O-N 2.95Å
801	F	88.8	Confident	93.7	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.009	17%	0.169	C	C	.	.	I	π-helix	trans	-119.9	-39.1	-176.6	-64.2	-78.4	0	0	0	113.9	L461 V462 L465 M466 M687 H690 F691 F797 M805	L461-F801 HydrophobicContact CG-CE2 4.38Å; V462-F801 HydrophobicContact CG2-CE2 4.38Å; V462-F801 HydrophobicContact CG2-CZ 4.1Å; L465-F801 HydrophobicContact CD1-CE2 4.24Å; L465-F801 HydrophobicContact CD1-CZ 4.35Å; M466-F801 HydrophobicContact CE-CE1 3.99Å; M466-F801 HydrophobicContact CG-CZ 4.42Å; M466-F801 HydrophobicContact SD-CE1 3.82Å; M466-F801 HydrophobicContact SD-CZ 3.93Å; M687-F801 HydrophobicContact CE-CB 4.5Å; M687-F801 HydrophobicContact CE-CD1 3.55Å; M687-F801 HydrophobicContact CE-CE1 3.74Å; M687-F801 HydrophobicContact CE-CG 3.97Å; M687-F801 HydrophobicContact CE-CZ 4.31Å; H690-F801 AromaticContact CD2-CD1 3.86Å; H690-F801 PolarHBondContact CE1-O 2.92Å; H690-F801 AromaticContact CG-CD1 3.98Å; H690-F801 AromaticContact NE2-CD1 3.99Å; H690-F801 PolarHBondContact NE2-O 3.46Å; F691-F801 HydrophobicContact CE2-CE1 4.43Å; F691-F801 HydrophobicContact CZ-CD1 4.35Å; F691-F801 HydrophobicContact CZ-CE1 4.38Å; F797-F801 HydrophobicContact CD2-CB 4.4Å; F797-F801 AromaticContact CD2-CD2 3.54Å; F797-F801 HydrophobicContact CD2-CD2 3.54Å; F797-F801 HydrophobicContact CD2-CE2 4.2Å; F797-F801 HydrophobicContact CD2-CG 4.33Å; F797-F801 HydrophobicContact CE2-CB 4.27Å; F797-F801 AromaticContact CE2-CD2 3.84Å; F797-F801 HydrophobicContact CE2-CD2 3.84Å; F797-F801 HydrophobicContact CE2-CG 4.27Å; F797-F801 PolarHBondContact O-N 3.36Å; F801-M805 VanDerWaalsContact O-CB 3.3Å; F801-M805 WeakPolarHBondContact O-CB 3.45Å
802	I	95.9	Very high	93.8	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	I	π-helix	trans	-83.7	-45	-167.1	-53.3	-64.6	0	0	0	111.4	I743 P746 F797 I798 M805 F806 L822	I743-I802 HydrophobicContact CB-CD1 4.09Å; I743-I802 HydrophobicContact CD1-CD1 3.63Å; I743-I802 HydrophobicContact CG1-CD1 3.72Å; P746-I802 HydrophobicContact CB-CG2 4.34Å; P746-I802 HydrophobicContact CG-CD1 4.28Å; P746-I802 HydrophobicContact CG-CG1 4.11Å; F797-I802 HydrophobicContact CD1-CD1 4.21Å; F797-I802 HydrophobicContact CD1-CG1 3.98Å; F797-I802 HydrophobicContact CE1-CD1 3.64Å; F797-I802 HydrophobicContact CE1-CG1 3.95Å; F797-I802 HydrophobicContact CZ-CD1 3.89Å; F797-I802 HydrophobicContact CZ-CG1 4.46Å; F797-I802 PolarHBondContact O-N 3.15Å; I798-I802 HydrophobicContact CG1-CG1 4.43Å; I798-I802 PolarHBondContact O-N 3.1Å; I802-M805 PolarHBondContact O-N 3.21Å; I802-F806 HydrophobicContact CG2-CD2 3.52Å; I802-F806 HydrophobicContact CG2-CE2 3.99Å; I802-F806 HydrophobicContact CG2-CG 4.35Å; I802-F806 WeakPolarHBondContact O-CB 3.47Å; I802-F806 PolarHBondContact O-N 3.21Å; I802-L822 HydrophobicContact CG2-CD1 3.71Å; I802-L822 HydrophobicContact CG2-CD2 4.01Å
803	T	93.5	Very high	93.9	Very high	42 Å²	42	29.2 Å²	29.2	26%	0.258	16%	0.162	S	C	.	.	H	α-helix	trans	-58.8	-58.9	-171	-57.4	0	0	0	0	112	I798 M805 F806 D807	I798-T803 WeakPolarHBondContact O-CB 3.36Å; I798-T803 PolarHBondContact O-N 3.44Å; I798-T803 PolarHBondContact O-OG1 3.22Å; T803-M805 VanDerWaalsContact C-N 3.29Å; T803-M805 PolarHBondContact O-N 3.07Å; T803-F806 PolarHBondContact O-N 2.99Å; T803-D807 WeakPolarHBondContact O-CB 3.4Å; T803-D807 PolarHBondContact O-N 2.89Å
804	D	90.8	Very high	94	Very high	117 Å²	117	34.5 Å²	34.5	63%	0.626	19%	0.19	S	C	*	.	H	α-helix	trans	-63	-33.8	-179.8	-77.1	-1.7	0	0	0	112.7	A808	D804-A808 VanDerWaalsContact O-CB 3.29Å; D804-A808 WeakPolarHBondContact O-CB 3.31Å; D804-A808 PolarHBondContact O-N 3.31Å
805	M	97.7	Very high	94.1	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-71.1	-45	179.2	-171.9	-176.7	72.4	0	0	111.7	V694 M736 K739 C740 I743 F801 I802 T803 A808 W809	V694-M805 HydrophobicContact CG2-CB 4.23Å; V694-M805 HydrophobicContact CG2-CG 3.85Å; V694-M805 HydrophobicContact CG2-SD 4.35Å; M736-M805 HydrophobicContact CE-CB 4.46Å; M736-M805 HydrophobicContact CE-CG 3.55Å; M736-M805 WeakPolarHBondContact CE-O 3.38Å; M736-M805 HydrophobicContact SD-CG 4.31Å; K739-M805 HydrophobicContact CB-SD 4.24Å; C740-M805 HydrophobicContact CB-CE 4.39Å; I743-M805 HydrophobicContact CD1-CE 3.73Å; I743-M805 HydrophobicContact CD1-SD 4.24Å; I743-M805 HydrophobicContact CG1-CE 3.56Å; F801-M805 VanDerWaalsContact O-CB 3.3Å; F801-M805 WeakPolarHBondContact O-CB 3.45Å; I802-M805 PolarHBondContact O-N 3.21Å; T803-M805 VanDerWaalsContact C-N 3.29Å; T803-M805 PolarHBondContact O-N 3.07Å; M805-A808 PolarHBondContact O-N 3.49Å; M805-W809 WeakPolarHBondContact O-CB 3.28Å; M805-W809 PolarHBondContact O-N 3.27Å
806	F	98.1	Very high	94.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-77.6	-33.9	179.9	-87.3	-89.6	0	0	0	113	F588 C740 C747 I802 T803 A808 W809 D810 L818 M819 L822	F588-F806 HydrophobicContact CZ-CE1 4.36Å; C740-F806 HydrophobicContact CB-CZ 4.32Å; C740-F806 VanDerWaalsContact O-CZ 3.25Å; C740-F806 WeakPolarHBondContact O-CZ 3.48Å; C747-F806 HydrophobicContact CB-CE1 4.2Å; C747-F806 HydrophobicContact CB-CZ 4.38Å; I802-F806 HydrophobicContact CG2-CD2 3.52Å; I802-F806 HydrophobicContact CG2-CE2 3.99Å; I802-F806 HydrophobicContact CG2-CG 4.35Å; I802-F806 WeakPolarHBondContact O-CB 3.47Å; I802-F806 PolarHBondContact O-N 3.21Å; T803-F806 PolarHBondContact O-N 2.99Å; F806-A808 VanDerWaalsContact C-N 3.25Å; F806-A808 PolarHBondContact O-N 3.48Å; F806-W809 PolarHBondContact O-N 3.34Å; F806-D810 WeakPolarHBondContact O-CB 3.38Å; F806-D810 PolarHBondContact O-N 3.46Å; F806-L818 HydrophobicContact CE1-CD2 4.03Å; F806-M819 HydrophobicContact CB-CE 4.21Å; F806-M819 HydrophobicContact CB-SD 3.85Å; F806-L822 HydrophobicContact CB-CD2 4.34Å
807	D	96.4	Very high	94.3	Very high	89 Å²	89	39.4 Å²	39.4	48%	0.476	22%	0.221	S	C	.	.	H	α-helix	trans	-58	-41	167.9	-89.2	-0.3	0	0	0	110.5	T803 A811 M819	T803-D807 WeakPolarHBondContact O-CB 3.4Å; T803-D807 PolarHBondContact O-N 2.89Å; D807-A811 VanDerWaalsContact O-CB 3.29Å; D807-A811 WeakPolarHBondContact O-CB 3.33Å; D807-A811 PolarHBondContact O-N 3.07Å; D807-M819 WeakPolarHBondContact OD1-CE 3.47Å
808	A	96.2	Very high	94.6	Very high	9 Å²	9	38 Å²	38	7%	0.074	22%	0.215	C	C	.	.	H	α-helix	trans	-69.2	-34.1	175.9	0	0	0	0	0	113.5	V698 N702 M736 D804 M805 F806	V698-A808 HydrophobicContact CG2-CB 3.64Å; N702-A808 PolarHBondContact ND2-O 3.41Å; M736-A808 HydrophobicContact CE-CB 3.97Å; D804-A808 VanDerWaalsContact O-CB 3.29Å; D804-A808 WeakPolarHBondContact O-CB 3.31Å; D804-A808 PolarHBondContact O-N 3.31Å; M805-A808 PolarHBondContact O-N 3.49Å; F806-A808 VanDerWaalsContact C-N 3.25Å; F806-A808 PolarHBondContact O-N 3.48Å
809	W	98.1	Very high	94.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-81.6	-36	-180	-167.2	-131.2	0	0	0	112.7	F588 V594 F697 V733 M736 L737 C740 M805 F806 F812 A813 L815	F588-W809 HydrophobicContact CB-CZ2 4.18Å; F588-W809 AromaticContact CD1-NE1 3.44Å; F588-W809 AromaticContact CD2-NE1 3.73Å; F588-W809 AromaticContact CE1-CD1 3.95Å; F588-W809 AromaticContact CE1-NE1 3.48Å; F588-W809 AromaticContact CE2-NE1 3.75Å; F588-W809 HydrophobicContact CG-CZ2 4.26Å; F588-W809 AromaticContact CG-NE1 3.59Å; F588-W809 AromaticContact CZ-CD1 3.99Å; F588-W809 AromaticContact CZ-NE1 3.64Å; V594-W809 HydrophobicContact CG2-CH2 4.09Å; V594-W809 HydrophobicContact CG2-CZ2 4.18Å; F697-W809 HydrophobicContact CE1-CE3 4.19Å; F697-W809 HydrophobicContact CE2-CE3 4.19Å; F697-W809 AromaticContact CE2-CZ3 3.86Å; F697-W809 HydrophobicContact CE2-CZ3 3.86Å; F697-W809 AromaticContact CZ-CE3 3.66Å; F697-W809 HydrophobicContact CZ-CE3 3.66Å; F697-W809 AromaticContact CZ-CZ3 3.71Å; F697-W809 HydrophobicContact CZ-CZ3 3.71Å; V733-W809 HydrophobicContact CG1-CH2 4.24Å; M736-W809 HydrophobicContact CB-CE3 4.14Å; M736-W809 HydrophobicContact CB-CZ3 4.04Å; M736-W809 HydrophobicContact CE-CB 4.17Å; M736-W809 HydrophobicContact CG-CD2 4.19Å; M736-W809 HydrophobicContact CG-CE3 3.52Å; M736-W809 HydrophobicContact CG-CZ3 3.94Å; L737-W809 HydrophobicContact CB-CH2 3.75Å; L737-W809 HydrophobicContact CB-CZ2 3.72Å; L737-W809 HydrophobicContact CD1-CH2 4.27Å; L737-W809 HydrophobicContact CD1-CZ2 4.09Å; L737-W809 HydrophobicContact CG-CH2 4.24Å; L737-W809 HydrophobicContact CG-CZ2 3.83Å; C740-W809 HydrophobicContact CB-CG 4.09Å; C740-W809 VanDerWaalsContact SG-CG 3.57Å; M805-W809 WeakPolarHBondContact O-CB 3.28Å; M805-W809 PolarHBondContact O-N 3.27Å; F806-W809 PolarHBondContact O-N 3.34Å; W809-F812 HydrophobicContact CE3-CB 4.48Å; W809-F812 AromaticContact CE3-CD1 3.79Å; W809-F812 HydrophobicContact CE3-CD1 3.79Å; W809-F812 AromaticContact CH2-CD1 3.96Å; W809-F812 HydrophobicContact CH2-CD1 3.96Å; W809-F812 AromaticContact CH2-CE1 3.98Å; W809-F812 HydrophobicContact CH2-CE1 3.98Å; W809-F812 AromaticContact CZ3-CD1 3.38Å; W809-F812 HydrophobicContact CZ3-CD1 3.38Å; W809-F812 AromaticContact CZ3-CE1 3.7Å; W809-F812 HydrophobicContact CZ3-CE1 3.7Å; W809-F812 HydrophobicContact CZ3-CG 4.37Å; W809-F812 PolarHBondContact O-N 2.59Å; W809-A813 WeakPolarHBondContact O-CB 3.37Å; W809-A813 PolarHBondContact O-N 2.62Å; W809-L815 HydrophobicContact CB-CD1 4.35Å; W809-L815 HydrophobicContact CG-CD1 3.88Å
810	D	97.9	Very high	95.2	Very high	44 Å²	44	41.2 Å²	41.2	24%	0.235	23%	0.228	C	C	.	.	H	α-helix	trans	-61.2	-47.6	172	-178.8	63.6	0	0	0	111.2	F806 F812 A813 D814 L815 M819	F806-D810 WeakPolarHBondContact O-CB 3.38Å; F806-D810 PolarHBondContact O-N 3.46Å; D810-F812 PolarHBondContact O-N 3.4Å; D810-A813 PolarHBondContact O-N 2.91Å; D810-D814 WeakPolarHBondContact O-CA 3.3Å; D810-D814 PolarHBondContact O-N 2.8Å; D810-L815 HydrophobicContact CB-CB 4.3Å; D810-L815 WeakPolarHBondContact OD1-CA 3.35Å; D810-L815 WeakPolarHBondContact OD1-CB 3.47Å; D810-L815 PolarHBondContact OD1-N 3.46Å; D810-M819 HydrophobicContact CB-CE 4.49Å; D810-M819 HydrophobicContact CB-CG 3.79Å; D810-M819 HydrophobicContact CB-SD 3.93Å
811	A	94.7	Very high	95.9	Very high	70 Å²	70	38.9 Å²	38.9	58%	0.579	22%	0.219	S	C	*	.	H	α-helix	trans	-59.9	-17	175.6	0	0	0	0	0	114.2	D807	D807-A811 VanDerWaalsContact O-CB 3.29Å; D807-A811 WeakPolarHBondContact O-CB 3.33Å; D807-A811 PolarHBondContact O-N 3.07Å
812	F	95.5	Very high	96.3	Very high	6 Å²	6	39.3 Å²	39.3	3%	0.026	22%	0.222	C	C	.	.	H	α-helix	trans	-98.1	-44.9	175	177.7	-106.5	0	0	0	113	R593 V594 F697 I701 L705 L724 V733 W809 D810	R593-F812 WeakPolarHBondContact CB-O 3.48Å; R593-F812 HydrophobicContact CG-CD2 4.02Å; R593-F812 HydrophobicContact CG-CE1 4.17Å; R593-F812 HydrophobicContact CG-CE2 3.64Å; R593-F812 HydrophobicContact CG-CG 4.44Å; R593-F812 HydrophobicContact CG-CZ 3.73Å; R593-F812 WeakPolarHBondContact CG-O 3.49Å; V594-F812 HydrophobicContact CG2-CE1 4.15Å; F697-F812 HydrophobicContact CE1-CB 4.26Å; F697-F812 HydrophobicContact CZ-CB 3.88Å; F697-F812 AromaticContact CZ-CD1 3.94Å; F697-F812 HydrophobicContact CZ-CD1 3.94Å; F697-F812 HydrophobicContact CZ-CD2 4.12Å; F697-F812 AromaticContact CZ-CG 3.72Å; F697-F812 HydrophobicContact CZ-CG 3.72Å; I701-F812 HydrophobicContact CG2-CD2 3.63Å; I701-F812 HydrophobicContact CG2-CE2 3.55Å; L705-F812 HydrophobicContact CD2-CD2 4.35Å; L724-F812 HydrophobicContact CD2-CE2 3.69Å; L724-F812 HydrophobicContact CD2-CZ 4.29Å; V733-F812 HydrophobicContact CG1-CE1 4.08Å; V733-F812 HydrophobicContact CG1-CZ 4.25Å; V733-F812 HydrophobicContact CG2-CE1 4.34Å; V733-F812 HydrophobicContact CG2-CZ 3.87Å; W809-F812 HydrophobicContact CE3-CB 4.48Å; W809-F812 AromaticContact CE3-CD1 3.79Å; W809-F812 HydrophobicContact CE3-CD1 3.79Å; W809-F812 AromaticContact CH2-CD1 3.96Å; W809-F812 HydrophobicContact CH2-CD1 3.96Å; W809-F812 AromaticContact CH2-CE1 3.98Å; W809-F812 HydrophobicContact CH2-CE1 3.98Å; W809-F812 AromaticContact CZ3-CD1 3.38Å; W809-F812 HydrophobicContact CZ3-CD1 3.38Å; W809-F812 AromaticContact CZ3-CE1 3.7Å; W809-F812 HydrophobicContact CZ3-CE1 3.7Å; W809-F812 HydrophobicContact CZ3-CG 4.37Å; W809-F812 PolarHBondContact O-N 2.59Å; D810-F812 PolarHBondContact O-N 3.4Å
813	A	95.4	Very high	96.4	Very high	6 Å²	6	43 Å²	43	5%	0.05	24%	0.241	C	C	.	.	H	α-helix	trans	-113	-0.4	-164.3	0	0	0	0	0	115.8	K591 V594 W809 D810 L815	K591-A813 WeakPolarHBondContact CD-O 3.43Å; V594-A813 HydrophobicContact CG2-CB 4.35Å; W809-A813 WeakPolarHBondContact O-CB 3.37Å; W809-A813 PolarHBondContact O-N 2.62Å; D810-A813 PolarHBondContact O-N 2.91Å; A813-L815 HydrophobicContact CB-CD1 4.22Å; A813-L815 HydrophobicContact CB-CD2 4.1Å; A813-L815 HydrophobicContact CB-CG 4.08Å
814	D	95.8	Very high	96.7	Very high	112 Å²	112	44.7 Å²	44.7	60%	0.599	25%	0.249	S	C	*	.			trans	52.8	86.9	-176.8	-172.4	42	0	0	0	113	K591 D810 P816	K591-D814 PolarHBondContact NZ-O 2.84Å; D810-D814 WeakPolarHBondContact O-CA 3.3Å; D810-D814 PolarHBondContact O-N 2.8Å; D814-P816 WeakPolarHBondContact OD1-CD 3.36Å
815	L	96.8	Very high	97	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.219	C	C	.	.			trans	-122.1	38.6	-170.4	-53.5	176.5	0	0	0	113.5	Y587 F588 K591 W809 D810 A813 N817 L818 M819	Y587-L815 HydrophobicContact CE1-CD2 4.24Å; F588-L815 HydrophobicContact CD1-CD1 4.37Å; F588-L815 HydrophobicContact CD1-CD2 4.07Å; F588-L815 HydrophobicContact CE1-CD1 3.84Å; F588-L815 HydrophobicContact CE1-CD2 4Å; K591-L815 HydrophobicContact CD-CD2 4.16Å; K591-L815 VanDerWaalsContact CE-CD2 3.49Å; K591-L815 HydrophobicContact CG-CD2 4.19Å; W809-L815 HydrophobicContact CB-CD1 4.35Å; W809-L815 HydrophobicContact CG-CD1 3.88Å; D810-L815 HydrophobicContact CB-CB 4.3Å; D810-L815 WeakPolarHBondContact OD1-CA 3.35Å; D810-L815 WeakPolarHBondContact OD1-CB 3.47Å; D810-L815 PolarHBondContact OD1-N 3.46Å; A813-L815 HydrophobicContact CB-CD1 4.22Å; A813-L815 HydrophobicContact CB-CD2 4.1Å; A813-L815 HydrophobicContact CB-CG 4.08Å; L815-N817 PolarHBondContact O-N 2.76Å; L815-L818 HydrophobicContact CB-CB 4.27Å; L815-L818 HydrophobicContact CB-CD1 4.35Å; L815-L818 HydrophobicContact CB-CD2 4.44Å; L815-L818 HydrophobicContact CD1-CD2 4.42Å; L815-L818 WeakPolarHBondContact O-CB 3.47Å; L815-L818 PolarHBondContact O-N 2.63Å; L815-M819 PolarHBondContact O-N 2.84Å
816	P	94.8	Very high	97	Very high	74 Å²	74	41.4 Å²	41.4	48%	0.481	23%	0.229	S	C	.	.	H	α-helix	trans	-63.3	-23.6	-167.7	25	-36.1	0	0	0	114.8	D814 Q820	D814-P816 WeakPolarHBondContact OD1-CD 3.36Å; P816-Q820 WeakPolarHBondContact O-CB 3.49Å; P816-Q820 PolarHBondContact O-N 3.19Å
817	N	94.7	Very high	97	Very high	59 Å²	59	46.7 Å²	46.7	32%	0.316	25%	0.252	S	S	.	.	H	α-helix	trans	-65.4	-43.8	171.4	168.3	-80.5	0	0	0	111.6	W515 L815 Q820 H821	W515-N817 VanDerWaalsContact CD1-OD1 3.22Å; L815-N817 PolarHBondContact O-N 2.76Å; N817-Q820 PolarHBondContact O-N 3.14Å; N817-H821 PolarHBondContact O-CD2 2.87Å; N817-H821 PolarHBondContact O-N 3.41Å; N817-H821 PolarHBondContact OD1-CD2 2.82Å
818	L	98.1	Very high	97.1	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-66.2	-44.5	178.4	-75.6	71.1	0	0	0	110.5	W515 Y587 F588 C747 F806 L815 Q820 H821 L822	W515-L818 HydrophobicContact CB-CD1 4.31Å; W515-L818 HydrophobicContact CD2-CD1 3.67Å; W515-L818 HydrophobicContact CD2-CD2 4.07Å; W515-L818 HydrophobicContact CD2-CG 3.78Å; W515-L818 HydrophobicContact CE3-CD1 4.12Å; W515-L818 HydrophobicContact CE3-CD2 4.13Å; W515-L818 HydrophobicContact CE3-CG 4.31Å; W515-L818 HydrophobicContact CG-CD1 3.71Å; W515-L818 HydrophobicContact CG-CG 4.15Å; W515-L818 HydrophobicContact CH2-CD2 3.7Å; W515-L818 HydrophobicContact CH2-CG 4.35Å; W515-L818 HydrophobicContact CZ2-CD2 3.64Å; W515-L818 HydrophobicContact CZ2-CG 3.83Å; W515-L818 HydrophobicContact CZ3-CD2 3.94Å; Y587-L818 HydrophobicContact CE1-CD1 3.81Å; F588-L818 HydrophobicContact CE1-CD2 3.68Å; F588-L818 HydrophobicContact CZ-CD2 3.88Å; C747-L818 HydrophobicContact CB-CB 4.05Å; C747-L818 HydrophobicContact CB-CD2 4.46Å; C747-L818 HydrophobicContact CB-CG 4.34Å; F806-L818 HydrophobicContact CE1-CD2 4.03Å; L815-L818 HydrophobicContact CB-CB 4.27Å; L815-L818 HydrophobicContact CB-CD1 4.35Å; L815-L818 HydrophobicContact CB-CD2 4.44Å; L815-L818 HydrophobicContact CD1-CD2 4.42Å; L815-L818 WeakPolarHBondContact O-CB 3.47Å; L815-L818 PolarHBondContact O-N 2.63Å; L818-Q820 VanDerWaalsContact C-N 3.27Å; L818-Q820 PolarHBondContact O-N 3.47Å; L818-H821 PolarHBondContact O-N 3.42Å; L818-L822 WeakPolarHBondContact O-CB 3.45Å; L818-L822 PolarHBondContact O-N 2.97Å
819	M	98	Very high	97.1	Very high	32 Å²	32	44.2 Å²	44.2	16%	0.158	23%	0.234	C	C	.	.	H	α-helix	trans	-64.2	-33.2	177.3	-56.7	-49.7	-74.7	0	0	112.1	F806 D807 D810 L815 L822 D823	F806-M819 HydrophobicContact CB-CE 4.21Å; F806-M819 HydrophobicContact CB-SD 3.85Å; D807-M819 WeakPolarHBondContact OD1-CE 3.47Å; D810-M819 HydrophobicContact CB-CE 4.49Å; D810-M819 HydrophobicContact CB-CG 3.79Å; D810-M819 HydrophobicContact CB-SD 3.93Å; L815-M819 PolarHBondContact O-N 2.84Å; M819-L822 HydrophobicContact CE-CD2 4.31Å; M819-D823 WeakPolarHBondContact O-CB 3.29Å; M819-D823 PolarHBondContact O-N 3.14Å
820	Q	97.8	Very high	97	Very high	126 Å²	126	47.6 Å²	47.6	59%	0.589	25%	0.249	S	C	*	.	H	α-helix	trans	-71.9	-38.7	173.8	-175	163.2	12.9	0	0	112.6	P816 N817 L818 N824	P816-Q820 WeakPolarHBondContact O-CB 3.49Å; P816-Q820 PolarHBondContact O-N 3.19Å; N817-Q820 PolarHBondContact O-N 3.14Å; L818-Q820 VanDerWaalsContact C-N 3.27Å; L818-Q820 PolarHBondContact O-N 3.47Å; Q820-N824 WeakPolarHBondContact O-CB 3.43Å; Q820-N824 PolarHBondContact O-N 3.33Å; Q820-N824 PolarHBondContact O-ND2 3.11Å; Q820-N824 VanDerWaalsContact O-ND2 3.09Å
821	H	98.4	Very high	96.9	Very high	29 Å²	29	46.6 Å²	46.6	13%	0.134	25%	0.249	C	C	.	.	H	α-helix	trans	-62.8	-44.2	170.6	-75.9	-49.3	0	0	0	111.6	W515 D516 C747 N817 L818 D823 N824 N825	W515-H821 AromaticContact CD1-CD2 3.85Å; D516-H821 IonicContact OD1-CD2 2.81Å; D516-H821 IonicContact OD1-CE1 3.74Å; D516-H821 IonicContact OD1-NE2 3.78Å; D516-H821 PolarHBondContact OD1-NE2 3.06Å; D516-H821 IonicContact OD2-NE2 4Å; C747-H821 WeakPolarHBondContact O-CB 3.48Å; C747-H821 PolarHBondContact O-CD2 2.74Å; N817-H821 PolarHBondContact O-CD2 2.87Å; N817-H821 PolarHBondContact O-N 3.41Å; N817-H821 PolarHBondContact OD1-CD2 2.82Å; L818-H821 PolarHBondContact O-N 3.42Å; H821-D823 PolarHBondContact O-N 3.35Å; H821-N824 WeakPolarHBondContact O-CB 3.47Å; H821-N824 PolarHBondContact O-N 2.94Å; H821-N825 VanDerWaalsContact O-CB 3.32Å; H821-N825 WeakPolarHBondContact O-CB 3.41Å; H821-N825 PolarHBondContact O-N 3.12Å; H821-N825 PolarHBondContact O-ND2 2.9Å
822	L	98.5	Very high	96.9	Very high	11 Å²	11	43.2 Å²	43.2	6%	0.058	22%	0.221	C	C	.	.	H	α-helix	trans	-57.9	-48.4	177.7	-175.5	61.1	0	0	0	112.1	P746 I798 I802 F806 L818 M819 N824 N825 F826	P746-L822 HydrophobicContact CB-CD1 3.78Å; I798-L822 HydrophobicContact CD1-CD1 4.48Å; I798-L822 HydrophobicContact CG1-CD1 4.3Å; I798-L822 HydrophobicContact CG2-CD1 3.88Å; I802-L822 HydrophobicContact CG2-CD1 3.71Å; I802-L822 HydrophobicContact CG2-CD2 4.01Å; F806-L822 HydrophobicContact CB-CD2 4.34Å; L818-L822 WeakPolarHBondContact O-CB 3.45Å; L818-L822 PolarHBondContact O-N 2.97Å; M819-L822 HydrophobicContact CE-CD2 4.31Å; L822-N824 PolarHBondContact O-N 2.96Å; L822-N825 PolarHBondContact O-N 3.14Å; L822-F826 VanDerWaalsContact O-CB 3.28Å; L822-F826 WeakPolarHBondContact O-CB 3.45Å; L822-F826 PolarHBondContact O-N 3.3Å
823	D	97.9	Very high	96.8	Very high	77 Å²	77	45.2 Å²	45.2	41%	0.412	23%	0.232	S	C	.	.	H	α-helix	trans	-62.5	-37.7	175.5	171.3	64.9	0	0	0	112.7	M819 H821 K827	M819-D823 WeakPolarHBondContact O-CB 3.29Å; M819-D823 PolarHBondContact O-N 3.14Å; H821-D823 PolarHBondContact O-N 3.35Å; D823-K827 VanDerWaalsContact O-CD 3.29Å; D823-K827 WeakPolarHBondContact O-CD 3.46Å; D823-K827 VanDerWaalsContact O-CG 3.23Å; D823-K827 WeakPolarHBondContact O-CG 3.38Å; D823-K827 PolarHBondContact O-N 3.42Å; D823-K827 WeakPolarHBondContact OD1-CE 3.5Å; D823-K827 IonicContact OD1-NZ 2.71Å; D823-K827 PolarHBondContact OD1-NZ 3.18Å; D823-K827 IonicContact OD2-NZ 3.41Å; D823-K827 PolarHBondContact OD2-NZ 2.87Å
824	N	98.3	Very high	96.6	Very high	77 Å²	77	51.3 Å²	51.3	41%	0.412	26%	0.264	S	S	.	.	H	α-helix	trans	-68.2	-45.3	174.5	-72.8	-29.3	0	0	0	112.3	Q820 H821 L822 K827 Y828	Q820-N824 WeakPolarHBondContact O-CB 3.43Å; Q820-N824 PolarHBondContact O-N 3.33Å; Q820-N824 PolarHBondContact O-ND2 3.11Å; Q820-N824 VanDerWaalsContact O-ND2 3.09Å; H821-N824 WeakPolarHBondContact O-CB 3.47Å; H821-N824 PolarHBondContact O-N 2.94Å; L822-N824 PolarHBondContact O-N 2.96Å; N824-K827 PolarHBondContact O-N 2.88Å; N824-Y828 PolarHBondContact O-N 2.71Å
825	N	98.4	Very high	96.5	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	26%	0.262	C	S	.	.	H	α-helix	trans	-70.3	-40.2	-177	-66.2	-18.7	0	0	0	111.2	P746 R748 L750 H821 L822 K827 Y828 W829	P746-N825 PolarHBondContact O-ND2 3.41Å; R748-N825 PolarHBondContact O-ND2 2.81Å; L750-N825 VanDerWaalsContact CA-OD1 3.31Å; L750-N825 WeakPolarHBondContact CA-OD1 3.26Å; L750-N825 WeakPolarHBondContact CB-OD1 3.36Å; L750-N825 VanDerWaalsContact CD1-OD1 3.29Å; L750-N825 WeakPolarHBondContact CD1-OD1 3.49Å; H821-N825 VanDerWaalsContact O-CB 3.32Å; H821-N825 WeakPolarHBondContact O-CB 3.41Å; H821-N825 PolarHBondContact O-N 3.12Å; H821-N825 PolarHBondContact O-ND2 2.9Å; L822-N825 PolarHBondContact O-N 3.14Å; N825-K827 VanDerWaalsContact C-N 3.32Å; N825-K827 PolarHBondContact O-N 3.12Å; N825-Y828 WeakPolarHBondContact O-CB 3.31Å; N825-Y828 PolarHBondContact O-N 3.3Å; N825-Y828 VanDerWaalsContact O-N 3.14Å; N825-W829 PolarHBondContact O-N 3.49Å
826	F	97.8	Very high	96.2	Very high	47 Å²	47	61.2 Å²	61.2	21%	0.206	30%	0.298	C	S	.	.	H	α-helix	trans	-59.4	-42.5	172.2	-174.4	-101.8	0	0	0	111.9	I795 I798 D799 L822 W829 K830	I795-F826 HydrophobicContact CB-CE2 4.5Å; I795-F826 HydrophobicContact CG1-CE2 4.42Å; I795-F826 HydrophobicContact CG2-CE2 4.13Å; I798-F826 HydrophobicContact CB-CD2 4.04Å; I798-F826 HydrophobicContact CB-CE2 4.48Å; I798-F826 HydrophobicContact CD1-CD2 4.24Å; I798-F826 HydrophobicContact CG2-CD2 3.61Å; I798-F826 HydrophobicContact CG2-CE2 4.18Å; I798-F826 HydrophobicContact CG2-CG 4.44Å; D799-F826 VanDerWaalsContact OD1-CE2 3.28Å; D799-F826 WeakPolarHBondContact OD1-CE2 3.13Å; D799-F826 VanDerWaalsContact OD1-CZ 3.27Å; D799-F826 WeakPolarHBondContact OD1-CZ 3.49Å; L822-F826 VanDerWaalsContact O-CB 3.28Å; L822-F826 WeakPolarHBondContact O-CB 3.45Å; L822-F826 PolarHBondContact O-N 3.3Å; F826-W829 PolarHBondContact O-N 3.08Å; F826-K830 HydrophobicContact CD1-CG 4.11Å; F826-K830 HydrophobicContact CE1-CD 4.37Å; F826-K830 HydrophobicContact CE1-CG 3.89Å; F826-K830 HydrophobicContact CZ-CD 4.37Å; F826-K830 HydrophobicContact CZ-CG 4.24Å; F826-K830 WeakPolarHBondContact O-CB 3.49Å; F826-K830 WeakPolarHBondContact O-CG 3.1Å; F826-K830 PolarHBondContact O-N 2.96Å
827	K	97.8	Very high	95.9	Very high	111 Å²	111	59.4 Å²	59.4	48%	0.483	28%	0.284	S	S	.	.	H	α-helix	trans	-65.2	-35.8	173.8	-73.5	166.1	-169	160.4	0	113	D823 N824 N825 G831	D823-K827 VanDerWaalsContact O-CD 3.29Å; D823-K827 WeakPolarHBondContact O-CD 3.46Å; D823-K827 VanDerWaalsContact O-CG 3.23Å; D823-K827 WeakPolarHBondContact O-CG 3.38Å; D823-K827 PolarHBondContact O-N 3.42Å; D823-K827 WeakPolarHBondContact OD1-CE 3.5Å; D823-K827 IonicContact OD1-NZ 2.71Å; D823-K827 PolarHBondContact OD1-NZ 3.18Å; D823-K827 IonicContact OD2-NZ 3.41Å; D823-K827 PolarHBondContact OD2-NZ 2.87Å; N824-K827 PolarHBondContact O-N 2.88Å; N825-K827 VanDerWaalsContact C-N 3.32Å; N825-K827 PolarHBondContact O-N 3.12Å; K827-G831 PolarHBondContact O-N 3.32Å
828	Y	98.1	Very high	95.5	Very high	46 Å²	46	61.6 Å²	61.6	18%	0.18	29%	0.292	C	S	.	.	H	α-helix	trans	-61.1	-51.3	173.7	178.3	-94.3	0	0	0	111	L750 I754 N824 N825 G831 L832 L840	L750-Y828 HydrophobicContact CD1-CD1 3.78Å; L750-Y828 HydrophobicContact CD1-CD2 4.02Å; L750-Y828 HydrophobicContact CD1-CE1 4.35Å; L750-Y828 HydrophobicContact CD1-CG 3.59Å; L750-Y828 HydrophobicContact CD2-CD2 3.75Å; L750-Y828 HydrophobicContact CD2-CE2 4.15Å; L750-Y828 HydrophobicContact CD2-CG 4.17Å; L750-Y828 HydrophobicContact CG-CD2 4.46Å; L750-Y828 HydrophobicContact CG-CG 4.49Å; I754-Y828 HydrophobicContact CD1-CD1 4.42Å; I754-Y828 HydrophobicContact CD1-CE1 3.67Å; I754-Y828 HydrophobicContact CD1-CE2 4.27Å; I754-Y828 HydrophobicContact CG1-CD1 4.43Å; I754-Y828 HydrophobicContact CG1-CE1 3.83Å; N824-Y828 PolarHBondContact O-N 2.71Å; N825-Y828 WeakPolarHBondContact O-CB 3.31Å; N825-Y828 PolarHBondContact O-N 3.3Å; N825-Y828 VanDerWaalsContact O-N 3.14Å; Y828-G831 CarbonylContact O-C 3.47Å; Y828-G831 PolarHBondContact O-N 3.17Å; Y828-L832 HydrophobicContact CD1-CD1 4.11Å; Y828-L832 HydrophobicContact CE1-CD1 3.46Å; Y828-L832 VanDerWaalsContact CE1-CD1 3.46Å; Y828-L832 HydrophobicContact CE1-CG 4.31Å; Y828-L832 PolarHBondContact O-N 3.46Å; Y828-L832 VanDerWaalsContact O-N 3.1Å; Y828-L840 PolarHBondContact OH-O 3.09Å
829	W	97.6	Very high	95	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-63.7	-44.8	179.1	-62.8	127.4	0	0	0	112.4	I754 A757 P791 Q794 I795 N825 F826 G831 L832 D833 L840	I754-W829 HydrophobicContact CB-CH2 4.38Å; I754-W829 HydrophobicContact CG1-CH2 3.94Å; I754-W829 HydrophobicContact CG1-CZ2 4.13Å; I754-W829 HydrophobicContact CG2-CH2 4.47Å; A757-W829 HydrophobicContact CB-CH2 4.01Å; A757-W829 HydrophobicContact CB-CZ2 3.72Å; P791-W829 HydrophobicContact CB-CB 4.37Å; P791-W829 HydrophobicContact CB-CE3 3.74Å; P791-W829 HydrophobicContact CB-CZ3 4.49Å; P791-W829 HydrophobicContact CG-CE3 3.88Å; P791-W829 HydrophobicContact CG-CZ3 4.17Å; Q794-W829 HydrophobicContact CB-CD2 3.99Å; Q794-W829 HydrophobicContact CB-CG 3.92Å; Q794-W829 HydrophobicContact CG-CD2 4.28Å; Q794-W829 HydrophobicContact CG-CZ2 4.1Å; I795-W829 HydrophobicContact CD1-CB 4.23Å; I795-W829 HydrophobicContact CG1-CB 3.88Å; N825-W829 PolarHBondContact O-N 3.49Å; F826-W829 PolarHBondContact O-N 3.08Å; W829-G831 VanDerWaalsContact C-N 3.31Å; W829-G831 PolarHBondContact O-N 2.98Å; W829-L832 HydrophobicContact CE3-CD1 3.93Å; W829-L832 HydrophobicContact CZ3-CD1 4.01Å; W829-L832 PolarHBondContact O-N 2.91Å; W829-D833 PolarHBondContact O-N 3.03Å; W829-L840 HydrophobicContact CH2-CD2 4Å
830	K	94.5	Very high	94.6	Very high	72 Å²	72	66.1 Å²	66.1	31%	0.313	32%	0.319	S	S	.	.	H	α-helix	trans	-57.1	-44.9	172.2	-72.3	-75.1	175.8	-172.3	0	111.4	I795 D799 F826 L832 D833 D834	I795-K830 HydrophobicContact CD1-CD 3.68Å; I795-K830 HydrophobicContact CD1-CG 4.01Å; I795-K830 HydrophobicContact CG1-CD 4.12Å; I795-K830 HydrophobicContact CG1-CG 4.2Å; I795-K830 HydrophobicContact CG2-CD 4.49Å; D799-K830 IonicContact OD2-NZ 2.68Å; F826-K830 HydrophobicContact CD1-CG 4.11Å; F826-K830 HydrophobicContact CE1-CD 4.37Å; F826-K830 HydrophobicContact CE1-CG 3.89Å; F826-K830 HydrophobicContact CZ-CD 4.37Å; F826-K830 HydrophobicContact CZ-CG 4.24Å; F826-K830 WeakPolarHBondContact O-CB 3.49Å; F826-K830 WeakPolarHBondContact O-CG 3.1Å; F826-K830 PolarHBondContact O-N 2.96Å; K830-L832 PolarHBondContact O-N 3.44Å; K830-L832 VanDerWaalsContact O-N 3.17Å; K830-D833 PolarHBondContact O-N 2.91Å; K830-D834 WeakPolarHBondContact O-CB 3.17Å; K830-D834 PolarHBondContact O-N 3.09Å
831	G	96.3	Very high	94.2	Very high	22 Å²	22	65.1 Å²	65.1	23%	0.227	31%	0.31	C	S	.	.	H	α-helix	trans	-64.7	-14.9	176.3	0	0	0	0	0	114.7	K827 Y828 W829 R835	K827-G831 PolarHBondContact O-N 3.32Å; Y828-G831 CarbonylContact O-C 3.47Å; Y828-G831 PolarHBondContact O-N 3.17Å; W829-G831 VanDerWaalsContact C-N 3.31Å; W829-G831 PolarHBondContact O-N 2.98Å; G831-R835 VanDerWaalsContact O-CZ 3.24Å; G831-R835 PolarHBondContact O-NE 3.29Å; G831-R835 PolarHBondContact O-NH2 3.35Å
832	L	94.9	Very high	93.6	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-90	-42.7	169.2	-69.2	178.2	0	0	0	111.6	P791 Y828 W829 K830 R835 K836 L837 P842	P791-L832 HydrophobicContact CB-CB 3.88Å; P791-L832 HydrophobicContact CB-CD1 4.46Å; P791-L832 HydrophobicContact CG-CB 3.77Å; P791-L832 HydrophobicContact CG-CD1 3.86Å; P791-L832 HydrophobicContact CG-CG 4.48Å; Y828-L832 HydrophobicContact CD1-CD1 4.11Å; Y828-L832 HydrophobicContact CE1-CD1 3.46Å; Y828-L832 VanDerWaalsContact CE1-CD1 3.46Å; Y828-L832 HydrophobicContact CE1-CG 4.31Å; Y828-L832 PolarHBondContact O-N 3.46Å; Y828-L832 VanDerWaalsContact O-N 3.1Å; W829-L832 HydrophobicContact CE3-CD1 3.93Å; W829-L832 HydrophobicContact CZ3-CD1 4.01Å; W829-L832 PolarHBondContact O-N 2.91Å; K830-L832 PolarHBondContact O-N 3.44Å; K830-L832 VanDerWaalsContact O-N 3.17Å; L832-R835 CarbonylContact O-C 3.53Å; L832-R835 WeakPolarHBondContact O-CA 3.44Å; L832-R835 PolarHBondContact O-N 3.04Å; L832-R835 VanDerWaalsContact O-N 3.1Å; L832-K836 PolarHBondContact O-N 2.94Å; L832-K836 VanDerWaalsContact O-N 3.13Å; L832-L837 HydrophobicContact CB-CB 4.27Å; L832-L837 HydrophobicContact CD2-CB 4.28Å; L832-L837 HydrophobicContact CD2-CD1 3.61Å; L832-L837 PolarHBondContact O-N 3.38Å; L832-P842 HydrophobicContact CD2-CB 4.29Å
833	D	92.7	Very high	92.6	Very high	48 Å²	48	70 Å²	70	26%	0.257	35%	0.345	S	S	.	.	H	α-helix	trans	-64.1	-40.5	177.8	-165	55.1	0	0	0	112.1	I795 W829 K830 R835 K836	I795-D833 HydrophobicContact CD1-CB 3.98Å; W829-D833 PolarHBondContact O-N 3.03Å; K830-D833 PolarHBondContact O-N 2.91Å; D833-R835 PolarHBondContact O-N 3.37Å; D833-K836 WeakPolarHBondContact O-CA 3.39Å; D833-K836 PolarHBondContact O-N 3.21Å
834	D	92.6	Very high	91.4	Very high	134 Å²	134	72.3 Å²	72.3	72%	0.717	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-32.8	171.7	-76.9	-29.8	0	0	0	112.5	K830 K836	K830-D834 WeakPolarHBondContact O-CB 3.17Å; K830-D834 PolarHBondContact O-N 3.09Å; D834-K836 VanDerWaalsContact C-N 3.31Å
835	R	92	Very high	89.2	Confident	149 Å²	149	81.6 Å²	81.6	56%	0.562	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	0.7	174.3	-80.1	-179	-73.2	-180	-3	113.1	G831 L832 D833 L837	G831-R835 VanDerWaalsContact O-CZ 3.24Å; G831-R835 PolarHBondContact O-NE 3.29Å; G831-R835 PolarHBondContact O-NH2 3.35Å; L832-R835 CarbonylContact O-C 3.53Å; L832-R835 WeakPolarHBondContact O-CA 3.44Å; L832-R835 PolarHBondContact O-N 3.04Å; L832-R835 VanDerWaalsContact O-N 3.1Å; D833-R835 PolarHBondContact O-N 3.37Å; R835-L837 VanDerWaalsContact C-N 3.26Å; R835-L837 HydrophobicContact CB-CD1 3.9Å; R835-L837 HydrophobicContact CB-CG 4.01Å; R835-L837 PolarHBondContact O-N 3.05Å
836	K	90.4	Very high	88.7	Confident	171 Å²	171	85.6 Å²	85.6	74%	0.743	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	38.3	-175.3	-55.2	-176.6	-179.9	-176.8	0	113.1	L832 D833 D834	L832-K836 PolarHBondContact O-N 2.94Å; L832-K836 VanDerWaalsContact O-N 3.13Å; D833-K836 WeakPolarHBondContact O-CA 3.39Å; D833-K836 PolarHBondContact O-N 3.21Å; D834-K836 VanDerWaalsContact C-N 3.31Å
837	L	89.1	Confident	88.3	Confident	35 Å²	35	87.6 Å²	87.6	18%	0.183	44%	0.436	C	S	.	.			trans	-93.8	123.2	174.5	-64.4	169.9	0	0	0	109.1	P791 L832 R835 P842 P843	P791-L837 WeakPolarHBondContact CG-O 3.3Å; L832-L837 HydrophobicContact CB-CB 4.27Å; L832-L837 HydrophobicContact CD2-CB 4.28Å; L832-L837 HydrophobicContact CD2-CD1 3.61Å; L832-L837 PolarHBondContact O-N 3.38Å; R835-L837 VanDerWaalsContact C-N 3.26Å; R835-L837 HydrophobicContact CB-CD1 3.9Å; R835-L837 HydrophobicContact CB-CG 4.01Å; R835-L837 PolarHBondContact O-N 3.05Å; L837-P842 HydrophobicContact CD1-CB 4.11Å; L837-P843 HydrophobicContact CD2-CG 4.43Å
838	H	86.5	Confident	87.7	Confident	106 Å²	106	86.3 Å²	86.3	49%	0.491	43%	0.434	S	S	.	.			trans	-91.6	-7.8	179.8	-56.9	-47.7	0	0	0	113	S789 I790 P791	S789-H838 VanDerWaalsContact CB-ND1 3.34Å; S789-H838 WeakPolarHBondContact CB-ND1 3.46Å; S789-H838 PolarHBondContact OG-ND1 3.05Å; I790-H838 PolarHBondContact N-O 3.24Å; I790-H838 VanDerWaalsContact N-O 3.15Å; P791-H838 WeakPolarHBondContact CD-O 3.26Å
839	T	88	Confident	87.1	Confident	78 Å²	78	88.7 Å²	88.7	48%	0.479	45%	0.449	S	S	.	.	S	Bend	trans	-90.4	156.7	-175.6	47.9	0	0	0	0	113.1	P791 R841	P791-T839 WeakPolarHBondContact CG-O 3.48Å; T839-R841 PolarHBondContact O-N 3.02Å; T839-R841 PolarHBondContact OG1-O 3.43Å
840	L	88.7	Confident	86.5	Confident	48 Å²	48	94.3 Å²	94.3	25%	0.251	48%	0.477	S	S	.	.	S	Bend	trans	-57	-27.8	177	-70.7	167.1	0	0	0	114.9	I754 A757 G758 I790 Y828 W829	I754-L840 HydrophobicContact CG2-CB 4.08Å; A757-L840 HydrophobicContact CB-CD2 4.06Å; G758-L840 VanDerWaalsContact CA-CD1 3.46Å; I790-L840 HydrophobicContact CB-CD2 4.46Å; I790-L840 HydrophobicContact CD1-CD2 4.24Å; I790-L840 HydrophobicContact CD1-CG 4.07Å; I790-L840 HydrophobicContact CG2-CD2 3.66Å; Y828-L840 PolarHBondContact OH-O 3.09Å; W829-L840 HydrophobicContact CH2-CD2 4Å
841	R	90.7	Very high	85.9	Confident	105 Å²	105	95.7 Å²	95.7	40%	0.396	49%	0.488	S	S	.	.	S	Bend	trans	-138.2	156.7	-177.9	-66.1	-173.4	-171.6	-105.5	4	109.4	E751 I754 T839	E751-R841 VanDerWaalsContact CD-NH1 3.29Å; E751-R841 IonicContact OE1-CZ 2.8Å; E751-R841 IonicContact OE1-NH1 3.19Å; E751-R841 PolarHBondContact OE1-NH1 3.03Å; E751-R841 IonicContact OE2-CZ 3.97Å; E751-R841 IonicContact OE2-NH1 3Å; E751-R841 PolarHBondContact OE2-NH1 3.42Å; E751-R841 IonicContact OE2-NH2 2.63Å; E751-R841 PolarHBondContact OE2-NH2 3.44Å; I754-R841 HydrophobicContact CG2-CG 4.03Å; T839-R841 PolarHBondContact O-N 3.02Å; T839-R841 PolarHBondContact OG1-O 3.43Å
842	P	84.4	Confident	85.2	Confident	54 Å²	54	101 Å²	101	35%	0.351	51%	0.506	S	S	.	.	P	Polyproline II helix	trans	-66	161.7	169	31.3	-35.4	0	0	0	110.9	L832 L837	L832-P842 HydrophobicContact CD2-CB 4.29Å; L837-P842 HydrophobicContact CD1-CB 4.11Å
843	P	78.2	Confident	84.4	Confident	88 Å²	88	108.8 Å²	108.8	57%	0.571	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-57.1	147.9	169	-20.8	32.9	0	0	0	111.1	L837	L837-P843 HydrophobicContact CD2-CG 4.43Å
844	P	72.8	Confident	83.8	Confident	126 Å²	126	113.8 Å²	113.8	82%	0.818	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-63.2	143.9	166.2	29	-34	0	0	0	110.3
845	E	51.7	Low	82.9	Confident	272 Å²	272	112 Å²	112	100%	1.271	56%	0.556	S	S	*	*			trans	-78.4	0	177.1	-60.6	-172.4	154.2	0	0	113

Retrieved 845 of 845 residues in 347.4 ms (Link to these results)

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