A0A096LU84_POEFO Loading...

poly(ADP-ribose) glycohydrolase

AlphaFold DB , UniProt , Accession A0A096LU84, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 736 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.9	Very low	35.3	Very low	247 Å²	247	157 Å²	157	100%	1.217	80%	0.803	S	S	*	*				0	79.7	0	-71.6	-174.9	-83.2	0	0	110.7
2	A	35.7	Very low	35.1	Very low	83 Å²	83	158.3 Å²	158.3	69%	0.686	80%	0.803	S	S	*	*			trans	-139.1	-12.7	179.7	0	0	0	0	0	114.7
3	S	34.8	Very low	34.8	Very low	96 Å²	96	160 Å²	160	67%	0.671	81%	0.814	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.3	-8.7	178.3	52.7	0	0	0	0	114.7
4	W	30	Very low	34.5	Very low	230 Å²	230	162.6 Å²	162.6	87%	0.871	82%	0.817	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	0.5	-173.6	-117	66.5	0	0	0	115.4
5	R	36.9	Very low	34.4	Very low	230 Å²	230	165.3 Å²	165.3	87%	0.868	82%	0.821	S	S	*	*	S	Bend	trans	-105.3	-15.8	177.4	-71.7	-169.5	176.1	-163.8	-0.3	114.8
6	L	37	Very low	34.5	Very low	139 Å²	139	161.9 Å²	161.9	73%	0.728	82%	0.815	S	S	*	*	S	Bend	trans	-80.5	-29.8	176.4	-93.4	136.8	0	0	0	113.5	K8	L6-K8 PolarHBondContact O-N 3.39Å
7	L	33.3	Very low	34	Very low	146 Å²	146	163.7 Å²	163.7	76%	0.764	82%	0.82	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-5.1	-179.8	-91.8	157.3	0	0	0	114.9
8	K	32.2	Very low	33.6	Very low	175 Å²	175	163.8 Å²	163.8	76%	0.761	82%	0.823	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	-2.3	-179	-143.6	176.7	-175.6	-179.4	0	114.5	L6	L6-K8 PolarHBondContact O-N 3.39Å
9	L	35.5	Very low	33.2	Very low	155 Å²	155	164.3 Å²	164.3	81%	0.812	83%	0.826	S	S	*	*	S	Bend	trans	-99.4	-16.6	179.6	-129.7	84.3	0	0	0	114.2
10	V	36.8	Very low	32.8	Very low	131 Å²	131	161 Å²	161	79%	0.794	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	-6.4	-173.2	-175.8	0	0	0	0	112.6
11	S	32.3	Very low	32.5	Very low	95 Å²	95	160 Å²	160	66%	0.664	82%	0.821	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	5.3	-173.3	58.2	0	0	0	0	116.1
12	Q	32.6	Very low	31.7	Very low	172 Å²	172	157.8 Å²	157.8	80%	0.804	81%	0.805	S	S	*	*	S	Bend	trans	-115.9	11	-170.5	-76.6	-145.5	-27.3	0	0	117.6
13	L	30.9	Very low	32	Very low	181 Å²	181	158.7 Å²	158.7	95%	0.948	80%	0.804	S	S	*	*			trans	-116	98.8	173.3	-69.4	173.5	0	0	0	111.7
14	K	31.2	Very low	31.5	Very low	196 Å²	196	161 Å²	161	85%	0.852	81%	0.808	S	S	*	*			trans	-118.3	127.8	173.2	-102.3	-176.2	177.1	176.1	0	111.5
15	K	32.2	Very low	31.4	Very low	203 Å²	203	156.7 Å²	156.7	88%	0.883	80%	0.802	S	S	*	*			trans	80.4	151.9	152.4	-74.8	-167.2	171	-170.6	0	120.3
16	P	36.4	Very low	30.9	Very low	111 Å²	111	151.6 Å²	151.6	72%	0.721	80%	0.797	S	S	*	*			trans	-107.6	173	-167.7	42.3	-34.1	0	0	0	113.6
17	Q	26.7	Very low	30.3	Very low	193 Å²	193	151.2 Å²	151.2	90%	0.902	80%	0.8	S	S	*	*			trans	-134.4	140.1	162	-74	-172.2	-22.5	0	0	111.4
18	L	25.7	Very low	30	Very low	166 Å²	166	155 Å²	155	87%	0.869	81%	0.806	S	S	*	*			trans	-83.6	139.7	170.7	-91.5	70.8	0	0	0	110.2
19	I	25.8	Very low	29.6	Very low	172 Å²	172	154.1 Å²	154.1	88%	0.882	81%	0.809	S	S	*	*			trans	-138.1	146	147.1	-61.8	-173.5	0	0	0	108.2
20	S	25	Very low	29.3	Very low	98 Å²	98	151.3 Å²	151.3	69%	0.685	81%	0.808	S	S	*	*			trans	-108.2	147.4	-173.6	175.9	0	0	0	0	111.9
21	T	27.8	Very low	28.8	Very low	141 Å²	141	150.1 Å²	150.1	87%	0.865	81%	0.806	S	S	*	*				160.1	153.6	129.3	43	0	0	0	0	113.3
22	K	25.8	Very low	28.8	Very low	200 Å²	200	152.2 Å²	152.2	87%	0.87	81%	0.814	S	S	*	*			trans	-107.3	179.6	177.5	-81	-175.4	178.2	-177.9	0	109.9
23	P	42.2	Very low	28.8	Very low	102 Å²	102	153 Å²	153	66%	0.662	82%	0.817	S	S	*	*			cis	-132.9	168.4	-32.4	31.8	-13.8	0	0	0	113.8
24	N	25.6	Very low	28.6	Very low	144 Å²	144	149 Å²	149	77%	0.77	81%	0.811	S	S	*	*				161.2	143.2	127.4	-83.6	-15.3	0	0	0	115
25	N	27.4	Very low	28.6	Very low	140 Å²	140	149 Å²	149	75%	0.749	81%	0.811	S	S	*	*			trans	51.9	99.8	156.7	-65	-0.6	0	0	0	122.1
26	T	26.3	Very low	28.3	Very low	124 Å²	124	146.6 Å²	146.6	76%	0.761	81%	0.807	S	S	*	*				48.4	100	122.2	-39	0	0	0	0	119.9
27	V	25.1	Very low	27.9	Very low	130 Å²	130	149.7 Å²	149.7	79%	0.788	82%	0.816	S	S	*	*			trans	-134.3	131.1	151.5	177.4	0	0	0	0	109.1	L29	V27-L29 PolarHBondContact O-N 3.43Å
28	Y	26.1	Very low	28	Very low	225 Å²	225	146.6 Å²	146.6	88%	0.882	82%	0.815	S	S	*	*			trans	-65.1	122.2	172.5	-92.7	-104.3	0	0	0	110.6
29	L	25	Very low	28.3	Very low	158 Å²	158	143 Å²	143	83%	0.827	81%	0.809	S	S	*	*			trans	-115.9	100.5	170.1	-103.7	160.7	0	0	0	109.6	V27 S31	V27-L29 PolarHBondContact O-N 3.43Å; L29-S31 PolarHBondContact O-N 3.46Å; L29-S31 VanDerWaalsContact O-N 3.09Å
30	A	27.4	Very low	28.3	Very low	96 Å²	96	142.3 Å²	142.3	79%	0.793	81%	0.807	S	S	*	*			trans	-69.7	100.8	173.4	0	0	0	0	0	110	V32	A30-V32 PolarHBondContact O-N 3.39Å
31	S	27	Very low	28.4	Very low	106 Å²	106	143.7 Å²	143.7	74%	0.741	81%	0.811	S	S	*	*			trans	-78.1	100.1	178.8	47	0	0	0	0	111.6	L29 Q33	L29-S31 PolarHBondContact O-N 3.46Å; L29-S31 VanDerWaalsContact O-N 3.09Å; S31-Q33 VanDerWaalsContact C-N 3.27Å; S31-Q33 PolarHBondContact O-N 3.43Å
32	V	33.6	Very low	28.4	Very low	138 Å²	138	144 Å²	144	84%	0.836	81%	0.808	S	S	*	*			trans	-70.4	83.1	168.1	-179.1	0	0	0	0	109.6	A30	A30-V32 PolarHBondContact O-N 3.39Å
33	Q	31.3	Very low	28.4	Very low	188 Å²	188	144.3 Å²	144.3	88%	0.879	81%	0.81	S	S	*	*			trans	-140.5	61	171.9	-87.4	-168.5	-27.5	0	0	111.9	S31	S31-Q33 VanDerWaalsContact C-N 3.27Å; S31-Q33 PolarHBondContact O-N 3.43Å
34	A	27.6	Very low	27.7	Very low	98 Å²	98	148.3 Å²	148.3	81%	0.81	82%	0.819	S	S	*	*	S	Bend	trans	-138	14.1	174.1	0	0	0	0	0	114.2
35	F	29.6	Very low	28.1	Very low	197 Å²	197	146.9 Å²	146.9	86%	0.864	82%	0.818	S	S	*	*	S	Bend	trans	-138.6	38.8	-166.7	-125.7	-80.3	0	0	0	115.7
36	L	27	Very low	28	Very low	151 Å²	151	145.3 Å²	145.3	79%	0.791	82%	0.818	S	S	*	*	S	Bend	trans	-152.6	30.1	176.6	-119.1	143.6	0	0	0	117.3
37	I	27.7	Very low	28	Very low	176 Å²	176	148.9 Å²	148.9	90%	0.903	82%	0.823	S	S	*	*	S	Bend	trans	-136.5	67.1	162.1	-46.5	179.3	0	0	0	110.4
38	S	28.8	Very low	28.1	Very low	128 Å²	128	154.7 Å²	154.7	90%	0.895	83%	0.831	S	S	*	*	S	Bend	trans	-156.9	16.6	164.6	-152.9	0	0	0	0	113.1
39	A	31.6	Very low	28	Very low	90 Å²	90	150.5 Å²	150.5	74%	0.744	83%	0.829	S	S	*	*			trans	-152.1	52	-171.1	0	0	0	0	0	112.1
40	L	25.8	Very low	27.9	Very low	158 Å²	158	151.9 Å²	151.9	83%	0.827	83%	0.828	S	S	*	*			trans	-143.1	67.2	170.5	-76.4	-178.1	0	0	0	111.8
41	T	28.2	Very low	27.7	Very low	127 Å²	127	153.9 Å²	153.9	78%	0.779	83%	0.83	S	S	*	*	S	Bend	trans	-130.2	133.8	136.4	48.6	0	0	0	0	107
42	D	27.6	Very low	27.6	Very low	149 Å²	149	156.9 Å²	156.9	80%	0.797	83%	0.832	S	S	*	*			trans	66.1	100.9	177.6	-50.6	-26.7	0	0	0	117.5
43	F	26.3	Very low	27.2	Very low	206 Å²	206	156.8 Å²	156.8	90%	0.904	83%	0.832	S	S	*	*				-169.3	132.9	111.9	-114.6	-78.9	0	0	0	111.4
44	E	27.7	Very low	26.9	Very low	186 Å²	186	157.4 Å²	157.4	87%	0.869	83%	0.832	S	S	*	*			trans	-101.6	137.5	159	-128.4	-168.1	-165.8	0	0	109.3
45	P	33.8	Very low	26.8	Very low	113 Å²	113	162.4 Å²	162.4	73%	0.734	84%	0.835	S	S	*	*			trans	-107.5	146.1	-169.4	38.2	-33.2	0	0	0	115.1
46	S	25.7	Very low	26.5	Very low	107 Å²	107	162.5 Å²	162.5	75%	0.748	84%	0.838	S	S	*	*			trans	-169.7	146.6	156	-85	0	0	0	0	109.9
47	K	25.8	Very low	26.5	Very low	200 Å²	200	161.2 Å²	161.2	87%	0.87	84%	0.837	S	S	*	*			cis	-154.4	143.8	-17.6	-98.7	165.8	-173.2	173.7	0	104.3
48	R	25.7	Very low	26.4	Very low	252 Å²	252	157.5 Å²	157.5	95%	0.951	83%	0.833	S	S	*	*			trans	-134.9	133	168.9	-142.4	176.6	-167.2	-175.7	2.8	111.5
49	T	24.1	Very low	26.3	Very low	137 Å²	137	158.8 Å²	158.8	84%	0.84	83%	0.828	S	S	*	*			trans	-72.7	146.5	-173.3	-20.9	0	0	0	0	111.5
50	K	24	Very low	26	Very low	187 Å²	187	160.9 Å²	160.9	81%	0.813	83%	0.832	S	S	*	*			trans	-69.4	140	173.2	-69.2	179.4	173.7	-176.1	0	111
51	V	23.9	Very low	26	Very low	137 Å²	137	159 Å²	159	83%	0.83	83%	0.828	S	S	*	*			trans	-133.4	129.4	148.4	177.6	0	0	0	0	106.6
52	E	24.3	Very low	25.8	Very low	170 Å²	170	162.1 Å²	162.1	79%	0.794	83%	0.831	S	S	*	*			trans	-92.7	135.6	177.3	-63.1	177.5	141.6	0	0	110.2
53	T	25.9	Very low	25.7	Very low	135 Å²	135	165.6 Å²	165.6	83%	0.828	83%	0.834	S	S	*	*			trans	-148.2	115.5	152.9	5.6	0	0	0	0	112.2
54	K	24.1	Very low	25.7	Very low	202 Å²	202	165.1 Å²	165.1	88%	0.878	83%	0.832	S	S	*	*			trans	9.5	124.8	158.6	-64.3	176.3	178.4	177.2	0	119.2
55	K	24.9	Very low	25.5	Very low	203 Å²	203	160 Å²	160	88%	0.883	83%	0.829	S	S	*	*			trans	-60.6	146.8	156.6	-68.5	175.8	174.1	178	0	110.9
56	Q	24.7	Very low	25.1	Very low	199 Å²	199	161.6 Å²	161.6	93%	0.93	84%	0.836	S	S	*	*			trans	-135	136.2	151.7	-147.7	165.5	8.3	0	0	108.9
57	T	26.3	Very low	25	Very low	123 Å²	123	162.8 Å²	162.8	76%	0.755	84%	0.843	S	S	*	*			trans	-101.7	136.6	-167.1	-43.4	0	0	0	0	110.2
58	A	25.4	Very low	25	Very low	99 Å²	99	158 Å²	158	82%	0.818	84%	0.835	S	S	*	*			trans	-144.2	126.2	162.9	0	0	0	0	0	110
59	L	25.8	Very low	24.9	Very low	154 Å²	154	151.4 Å²	151.4	81%	0.806	83%	0.826	S	S	*	*			trans	-87.7	144.5	166	-76.2	84	0	0	0	109
60	T	25.5	Very low	24.9	Very low	134 Å²	134	154 Å²	154	82%	0.822	83%	0.828	S	S	*	*			trans	-156.5	106	140.6	9.7	0	0	0	0	112.5
61	T	26.2	Very low	25	Very low	119 Å²	119	153.8 Å²	153.8	73%	0.73	83%	0.83	S	S	*	*			trans	41.6	123	133.4	-19.2	0	0	0	0	121.8
62	F	25	Very low	25.1	Very low	193 Å²	193	152.9 Å²	152.9	85%	0.846	83%	0.83	S	S	*	*			trans	-65.6	146.4	157.3	-87.6	-111.7	0	0	0	112.1
63	Y	24.6	Very low	25.2	Very low	221 Å²	221	152.7 Å²	152.7	87%	0.867	83%	0.834	S	S	*	*			trans	-128.9	128.3	153.2	-103.4	-88.7	0	0	0	110.4
64	K	26.1	Very low	25.2	Very low	197 Å²	197	149.9 Å²	149.9	86%	0.857	83%	0.832	S	S	*	*			trans	-88	131	165.2	-77.4	179.6	172.8	179.9	0	108.1
65	G	24.2	Very low	25.5	Very low	78 Å²	78	146.5 Å²	146.5	80%	0.804	82%	0.823	S	S	*	*			trans	-122.1	110.6	169.8	0	0	0	0	0	110.1
66	V	25.4	Very low	25.7	Very low	147 Å²	147	144.4 Å²	144.4	89%	0.891	82%	0.817	S	S	*	*			trans	-77	136.4	166.6	174.6	0	0	0	0	107.5
67	C	23.8	Very low	25.8	Very low	131 Å²	131	140.3 Å²	140.3	89%	0.885	81%	0.805	S	S	*	*			trans	-121	124.6	170	-153	0	0	0	0	109.6
68	S	24.2	Very low	25.9	Very low	101 Å²	101	141.4 Å²	141.4	71%	0.706	81%	0.805	S	S	*	*			trans	-96.2	145	180	-168.1	0	0	0	0	110.2
69	C	23.7	Very low	26	Very low	113 Å²	113	144.2 Å²	144.2	76%	0.764	81%	0.806	S	S	*	*			trans	-67.8	142.9	172.3	45.3	0	0	0	0	111.7
70	H	25.3	Very low	26.2	Very low	191 Å²	191	145.8 Å²	145.8	88%	0.884	81%	0.807	S	S	*	*			trans	-148.6	137.6	155.4	-108.5	52.7	0	0	0	110.1
71	H	25.3	Very low	26.2	Very low	183 Å²	183	148.7 Å²	148.7	85%	0.847	81%	0.811	S	S	*	*			trans	-82.5	151.1	173.8	-83.5	-76.3	0	0	0	111.5
72	S	27.4	Very low	26.3	Very low	118 Å²	118	147.9 Å²	147.9	83%	0.825	81%	0.81	S	S	*	*			trans	-149.8	125.5	149.5	49.8	0	0	0	0	111.1
73	N	26.4	Very low	26.4	Very low	165 Å²	165	148.9 Å²	148.9	88%	0.882	81%	0.814	S	S	*	*			trans	-84.5	157	169.5	-73.3	-22.1	0	0	0	110.2
74	G	26	Very low	26.6	Very low	77 Å²	77	146.9 Å²	146.9	79%	0.794	81%	0.813	S	S	*	*			trans	174.3	88.3	171.6	0	0	0	0	0	116.3
75	N	28.4	Very low	26.6	Very low	130 Å²	130	144.2 Å²	144.2	70%	0.695	81%	0.808	S	S	*	*			trans	-24	150.4	167.2	-78.6	28.3	0	0	0	121.7
76	E	29.8	Very low	26.8	Very low	160 Å²	160	149 Å²	149	75%	0.748	81%	0.807	S	S	*	*				56.9	152.9	129.5	-60.9	173.3	135.1	0	0	120.6
77	T	27.6	Very low	26.9	Very low	112 Å²	112	148 Å²	148	69%	0.687	80%	0.801	S	S	*	*			cis	-154.8	155.8	-4.4	7.9	0	0	0	0	110.4
78	I	28.4	Very low	27.1	Very low	146 Å²	146	151.7 Å²	151.7	75%	0.749	80%	0.802	S	S	*	*			trans	25.9	120	143.6	-57.9	162	0	0	0	119.1
79	N	27.1	Very low	27.2	Very low	158 Å²	158	152.5 Å²	152.5	85%	0.845	80%	0.802	S	S	*	*				-159.5	154.6	115	-124.2	-25.2	0	0	0	116
80	K	30.1	Very low	27.3	Very low	188 Å²	188	157.1 Å²	157.1	82%	0.817	81%	0.809	S	S	*	*			trans	-85.4	151	172.6	-63.1	167.3	175.6	172.1	0	110
81	E	25.6	Very low	27.4	Very low	195 Å²	195	155.7 Å²	155.7	91%	0.911	81%	0.805	S	S	*	*				-165.6	154.2	114.8	-114.3	-177.1	-173.4	0	0	114.6
82	S	27.1	Very low	27.5	Very low	102 Å²	102	153.7 Å²	153.7	71%	0.713	80%	0.801	S	S	*	*			trans	-91.4	155.6	-173.6	50.6	0	0	0	0	113.6
83	K	27.8	Very low	27.5	Very low	214 Å²	214	156.6 Å²	156.6	93%	0.93	80%	0.803	S	S	*	*			trans	-150.8	104.5	147.9	-113.1	164.2	-169.1	170.4	0	112.3
84	E	28.7	Very low	27.6	Very low	179 Å²	179	159 Å²	159	84%	0.836	80%	0.8	S	S	*	*			trans	-75.7	154.1	160.3	-62.3	-178.3	122.6	0	0	110.4
85	N	27.3	Very low	28.1	Very low	141 Å²	141	161.4 Å²	161.4	75%	0.754	80%	0.802	S	S	*	*			trans	-161.2	114.6	133.3	-114	-36.2	0	0	0	113.8
86	K	28.4	Very low	28.1	Very low	178 Å²	178	163.7 Å²	163.7	77%	0.774	81%	0.806	S	S	*	*			trans	41.9	108.4	135.1	-68.7	175.6	-177.7	171.7	0	118.7
87	V	27.5	Very low	28.2	Very low	126 Å²	126	163.1 Å²	163.1	76%	0.764	81%	0.813	S	S	*	*				74.9	120.7	81.8	168.4	0	0	0	0	114.3
88	K	26.5	Very low	28.1	Very low	209 Å²	209	161.6 Å²	161.6	91%	0.909	82%	0.82	S	S	*	*			trans	-148.8	122.7	144.7	-120.7	175.4	-173.5	175	0	111.9
89	T	28	Very low	28.2	Very low	117 Å²	117	160 Å²	160	72%	0.718	83%	0.829	S	S	*	*			trans	-85.5	148.6	-178.1	-38.8	0	0	0	0	111.7
90	K	25.1	Very low	28.2	Very low	210 Å²	210	156.5 Å²	156.5	91%	0.913	83%	0.829	S	S	*	*			trans	-156.5	141.4	143	-123.3	178.6	-179.8	-174.5	0	112.8
91	M	27.1	Very low	28	Very low	161 Å²	161	151 Å²	151	79%	0.793	83%	0.826	S	S	*	*			trans	-91.7	159.4	-177.4	-81.2	166.2	143.1	0	0	113.1
92	D	27.2	Very low	28.2	Very low	141 Å²	141	149.8 Å²	149.8	75%	0.754	83%	0.825	S	S	*	*			trans	43.4	135.8	143.2	-64.1	-35	0	0	0	122.2
93	M	27.6	Very low	28.2	Very low	179 Å²	179	157.1 Å²	157.1	88%	0.882	84%	0.837	S	S	*	*				-173.6	133.8	107	-93.7	-84.6	-90.1	0	0	112
94	R	28.8	Very low	28.1	Very low	215 Å²	215	150.1 Å²	150.1	81%	0.811	83%	0.825	S	S	*	*			trans	-86.5	163	159.8	-86.5	-179.4	169.2	171.9	-4.1	109.6
95	P	35.5	Very low	28	Very low	129 Å²	129	148.5 Å²	148.5	84%	0.838	83%	0.828	S	S	*	*				-128.6	167.7	125.7	29.9	-17.6	0	0	0	114.1
96	K	30	Very low	28	Very low	178 Å²	178	150.8 Å²	150.8	77%	0.774	83%	0.831	S	S	*	*			trans	-103.4	-179.6	179.2	-79.8	-178.3	173.6	178.2	0	111.3
97	T	30.5	Very low	28	Very low	148 Å²	148	153.1 Å²	153.1	91%	0.908	84%	0.835	S	S	*	*			trans	92.2	146.2	163.2	74.4	0	0	0	0	115.4
98	G	26.5	Very low	28	Very low	80 Å²	80	157.1 Å²	157.1	83%	0.825	84%	0.842	S	S	*	*			cis	-143	-170.7	8.3	0	0	0	0	0	114.2
99	A	30.2	Very low	27.9	Very low	113 Å²	113	151 Å²	151	93%	0.934	84%	0.838	S	S	*	*			trans	-122.6	167	-167.4	0	0	0	0	0	114.1
100	G	27.1	Very low	27.9	Very low	83 Å²	83	150.6 Å²	150.6	86%	0.856	84%	0.84	S	S	*	*			trans	127.6	143.1	170.2	0	0	0	0	0	113.1
101	G	26.6	Very low	28	Very low	73 Å²	73	150.9 Å²	150.9	75%	0.753	84%	0.841	S	S	*	*			cis	168.6	116.7	-5.9	0	0	0	0	0	113.3
102	L	28.8	Very low	28	Very low	169 Å²	169	151.4 Å²	151.4	89%	0.885	84%	0.842	S	S	*	*			trans	32.1	121.9	150.1	-66.9	164.6	0	0	0	122.1
103	R	27.7	Very low	28	Very low	257 Å²	257	151.2 Å²	151.2	97%	0.97	84%	0.841	S	S	*	*				173.9	148.7	129.2	-93.3	164.6	-151.3	-134.3	6.9	108.5
104	G	25.6	Very low	27.8	Very low	66 Å²	66	149.2 Å²	149.2	68%	0.68	84%	0.839	S	S	*	*			cis	145.3	142.8	-4.3	0	0	0	0	0	112
105	V	26.9	Very low	27.6	Very low	146 Å²	146	142.2 Å²	142.2	89%	0.885	83%	0.834	S	S	*	*			trans	77.6	123.6	174.6	-166.4	0	0	0	0	115.3
106	K	27	Very low	27.6	Very low	189 Å²	189	141.9 Å²	141.9	82%	0.822	83%	0.832	S	S	*	*			cis	108.1	138.1	6.1	-156.6	-178.9	-161.4	174.9	0	115.1
107	R	27.9	Very low	27.5	Very low	227 Å²	227	144.7 Å²	144.7	86%	0.857	84%	0.837	S	S	*	*			trans	87.7	152.1	172.2	-65.4	-173.5	178.7	-159.9	1.2	116.7
108	K	27.7	Very low	27.8	Very low	209 Å²	209	142.8 Å²	142.8	91%	0.909	83%	0.828	S	S	*	*			cis	-175.3	149.9	-30.2	-137.1	-170.5	-176.1	-165.4	0	106.5
109	G	25.2	Very low	27.7	Very low	80 Å²	80	145.8 Å²	145.8	83%	0.825	83%	0.83	S	S	*	*			trans	174.4	130.9	168.5	0	0	0	0	0	114
110	S	26.8	Very low	27.5	Very low	109 Å²	109	149 Å²	149	76%	0.762	83%	0.826	S	S	*	*			trans	-143	144.6	-172.7	55.2	0	0	0	0	111.1
111	F	27.2	Very low	27.4	Very low	216 Å²	216	154.4 Å²	154.4	95%	0.947	83%	0.826	S	S	*	*			trans	-146.1	143.4	159.3	-100.3	-79.1	0	0	0	112.2
112	Q	27	Very low	27.4	Very low	172 Å²	172	160.3 Å²	160.3	80%	0.804	83%	0.831	S	S	*	*			trans	-94.3	177.6	164.8	-56.6	169.8	-30.1	0	0	107.3
113	N	26.5	Very low	27.3	Very low	138 Å²	138	163.8 Å²	163.8	74%	0.738	83%	0.832	S	S	*	*			cis	-167.7	-174.5	19.1	-149.1	-10.8	0	0	0	110.7
114	T	25.2	Very low	27.4	Very low	136 Å²	136	158.7 Å²	158.7	83%	0.834	82%	0.824	S	S	*	*			trans	103.8	135.9	161.2	79.8	0	0	0	0	120.3
115	G	23.9	Very low	28	Very low	69 Å²	69	162 Å²	162	71%	0.711	83%	0.831	S	S	*	*			trans	-124.6	-165	165.4	0	0	0	0	0	109.8
116	P	35.9	Very low	28.3	Very low	122 Å²	122	162.5 Å²	162.5	79%	0.792	83%	0.828	S	S	*	*			cis	-148.4	163.9	45	40.6	-20.6	0	0	0	119.1
117	R	27.4	Very low	28.4	Very low	236 Å²	236	163 Å²	163	89%	0.891	83%	0.834	S	S	*	*			trans	32.3	162.5	139.7	-63.9	-173.3	-179.6	-174.2	1.4	123
118	P	36.4	Very low	28.7	Very low	109 Å²	109	161 Å²	161	71%	0.708	83%	0.834	S	S	*	*			cis	-141.3	164.5	-42.5	40.1	-24	0	0	0	114.3
119	T	25.2	Very low	29.3	Very low	142 Å²	142	160.7 Å²	160.7	87%	0.871	83%	0.828	S	S	*	*			trans	-153.5	132.5	153.5	5.7	0	0	0	0	114.2
120	Q	26.5	Very low	29.4	Very low	180 Å²	180	164.5 Å²	164.5	84%	0.841	83%	0.828	S	S	*	*			trans	13.9	115.5	161.6	-128	148.6	-12.6	0	0	120.8
121	K	24.7	Very low	29.4	Very low	198 Å²	198	166.1 Å²	166.1	86%	0.861	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-83.9	129.9	164.3	-68	177.9	175.4	-179.2	0	110.7
122	F	25.5	Very low	29.3	Very low	197 Å²	197	164.6 Å²	164.6	86%	0.864	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-90.9	135	142.9	-91.9	-92.3	0	0	0	108.3
123	R	26.8	Very low	29.2	Very low	241 Å²	241	162.3 Å²	162.3	91%	0.909	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-81.7	120.7	173.4	-84.2	176.3	162.6	164.4	-7.4	108.5
124	N	29.4	Very low	29.1	Very low	150 Å²	150	161 Å²	161	80%	0.802	83%	0.828	S	S	*	*			trans	-111.4	154.4	166.8	-91.4	-5.6	0	0	0	111.4	L126	N124-L126 PolarHBondContact O-N 2.59Å
125	T	38.9	Very low	29.1	Very low	135 Å²	135	161 Å²	161	83%	0.828	83%	0.828	S	S	*	*			trans	-50.7	119.3	-173.9	45.9	0	0	0	0	115
126	L	32.1	Very low	29.1	Very low	157 Å²	157	168.8 Å²	168.8	82%	0.822	84%	0.836	S	S	*	*			trans	-139.3	12.7	169.4	-147.7	103.5	0	0	0	114.6	N124	N124-L126 PolarHBondContact O-N 2.59Å
127	E	29.8	Very low	28.6	Very low	199 Å²	199	171.6 Å²	171.6	93%	0.93	84%	0.843	S	S	*	*	S	Bend	trans	-105.3	8.2	-175.3	-69.8	-165.2	155.8	0	0	115.4
128	Q	34.6	Very low	28.5	Very low	187 Å²	187	165.8 Å²	165.8	87%	0.874	84%	0.838	S	S	*	*	S	Bend	trans	-103.3	5.6	176.6	-92.4	-175.9	-11.9	0	0	115.4
129	W	39.4	Very low	28	Very low	202 Å²	202	165.3 Å²	165.3	77%	0.765	84%	0.844	S	S	*	*	S	Bend	trans	-117.8	7.8	-168.5	-76.2	90.7	0	0	0	116.1
130	L	27.6	Very low	27.9	Very low	159 Å²	159	167.5 Å²	167.5	83%	0.832	84%	0.844	S	S	*	*			trans	-142.9	89.3	177.9	-73.2	176.2	0	0	0	113.4
131	V	27.6	Very low	27.8	Very low	143 Å²	143	165.1 Å²	165.1	87%	0.867	84%	0.842	S	S	*	*			trans	-127.1	103.9	153.7	-178.5	0	0	0	0	108.6
132	K	24.8	Very low	27.8	Very low	184 Å²	184	165.5 Å²	165.5	80%	0.8	84%	0.844	S	S	*	*			trans	-85.1	139.2	162.4	-72.4	-174.9	176.5	-177.7	0	108.5	S134	K132-S134 PolarHBondContact O-N 2.91Å
133	P	25.9	Very low	27.9	Very low	125 Å²	125	161.4 Å²	161.4	81%	0.812	84%	0.837	S	S	*	*			trans	-67	127.6	174.9	27.5	-33.1	0	0	0	110.3	T135	P133-T135 PolarHBondContact O-N 3.09Å
134	S	24.2	Very low	27.8	Very low	110 Å²	110	153.2 Å²	153.2	77%	0.769	83%	0.827	S	S	*	*			trans	-82.5	112.8	173.9	-176.2	0	0	0	0	109.9	K132 R136	K132-S134 PolarHBondContact O-N 2.91Å; S134-R136 PolarHBondContact O-N 2.65Å
135	T	25.3	Very low	27.7	Very low	136 Å²	136	154.9 Å²	154.9	83%	0.834	83%	0.83	S	S	*	*			trans	-72.2	112.5	165.4	46.3	0	0	0	0	110	P133	P133-T135 PolarHBondContact O-N 3.09Å
136	R	24	Very low	27.1	Very low	233 Å²	233	157.6 Å²	157.6	88%	0.879	83%	0.834	S	S	*	*			trans	-126.7	115	151.3	-81.1	-167	175.5	-173.6	-0.4	110.1	S134	S134-R136 PolarHBondContact O-N 2.65Å
137	L	24.9	Very low	26.9	Very low	181 Å²	181	157.5 Å²	157.5	95%	0.948	83%	0.834	S	S	*	*			trans	-73.3	127.9	159.6	-74.9	152.8	0	0	0	108.1
138	S	25.2	Very low	26.9	Very low	113 Å²	113	155 Å²	155	79%	0.79	83%	0.832	S	S	*	*			trans	-137	112.3	153.5	48.1	0	0	0	0	106.2
139	A	25.7	Very low	26.6	Very low	100 Å²	100	153 Å²	153	83%	0.826	82%	0.823	S	S	*	*			trans	-82	128.1	179.6	0	0	0	0	0	109.3
140	E	24.2	Very low	26	Very low	187 Å²	187	153 Å²	153	87%	0.874	82%	0.822	S	S	*	*			trans	-129.7	148.1	156.4	-71.5	-164.3	154.2	0	0	109.5
141	V	24.3	Very low	26	Very low	131 Å²	131	152.1 Å²	152.1	79%	0.794	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-99.5	131.1	-164.7	172.6	0	0	0	0	109.4
142	F	22.7	Very low	25.9	Very low	206 Å²	206	148.5 Å²	148.5	90%	0.904	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-101.7	122.7	164.8	-80.4	-83.1	0	0	0	110.3
143	P	28.2	Very low	26	Very low	111 Å²	111	146.3 Å²	146.3	72%	0.721	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-102.2	143.9	157.9	34.7	-26.7	0	0	0	112
144	G	24.3	Very low	26.1	Very low	68 Å²	68	147.8 Å²	147.8	70%	0.701	81%	0.809	S	S	*	*			trans	51.7	114.6	138.3	0	0	0	0	0	121.8
145	E	27.5	Very low	26.3	Very low	186 Å²	186	150.4 Å²	150.4	87%	0.869	81%	0.813	S	S	*	*				28.6	124	122.2	-58.7	173.3	152.2	0	0	119.5
146	E	27.8	Very low	26.4	Very low	192 Å²	192	151.2 Å²	151.2	90%	0.897	81%	0.812	S	S	*	*				-177.4	166.2	100.9	-96.8	-173.4	172.4	0	0	112
147	D	26.9	Very low	26.8	Very low	155 Å²	155	146.3 Å²	146.3	83%	0.829	81%	0.811	S	S	*	*			trans	-70.3	164.9	180	-67.4	-67.5	0	0	0	114.2
148	V	30.3	Very low	26.9	Very low	146 Å²	146	143 Å²	143	89%	0.885	80%	0.803	S	S	*	*				178.8	152.7	124.6	148.4	0	0	0	0	113.2
149	E	27	Very low	27.1	Very low	146 Å²	146	141.5 Å²	141.5	68%	0.682	80%	0.797	S	S	*	*			trans	-62.4	139.2	-175.6	-88.1	-167.8	108.2	0	0	119.1
150	R	27	Very low	27.1	Very low	201 Å²	201	144 Å²	144	76%	0.758	80%	0.797	S	S	*	*				74.9	156.1	117.8	-159.2	176.4	-170.5	165.7	-1.2	121.8
151	T	27.9	Very low	27.3	Very low	141 Å²	141	141.2 Å²	141.2	87%	0.865	80%	0.798	S	S	*	*			trans	75.9	147	179.4	75.5	0	0	0	0	114.9
152	G	26.2	Very low	27.5	Very low	67 Å²	67	138.9 Å²	138.9	69%	0.691	79%	0.792	S	S	*	*			cis	169.3	143.7	-7.6	0	0	0	0	0	111.8
153	N	27	Very low	27.8	Very low	138 Å²	138	135.6 Å²	135.6	74%	0.738	78%	0.784	S	S	*	*			trans	62.6	124.9	169	-75.3	36	0	0	0	122.3
154	E	28.1	Very low	27.6	Very low	156 Å²	156	136.8 Å²	136.8	73%	0.729	78%	0.784	S	S	*	*				40	124.7	123.4	-51.7	175.8	135.8	0	0	120.7
155	L	27.7	Very low	27.8	Very low	164 Å²	164	141.1 Å²	141.1	86%	0.859	79%	0.786	S	S	*	*				178	135.3	99.8	-92.7	163.6	0	0	0	111.7
156	N	28.1	Very low	27.7	Very low	154 Å²	154	138.9 Å²	138.9	82%	0.824	78%	0.78	S	S	*	*			trans	-72.9	157.5	157.7	-79.4	-26.1	0	0	0	109.3
157	P	32.2	Very low	27.6	Very low	129 Å²	129	134.1 Å²	134.1	84%	0.838	77%	0.774	S	S	*	*				-135.3	157.8	110.1	35.9	-25.9	0	0	0	114.6
158	S	26.3	Very low	27.6	Very low	113 Å²	113	135.8 Å²	135.8	79%	0.79	78%	0.777	S	S	*	*			trans	-98.8	-177.2	178.3	50.1	0	0	0	0	112.6
159	A	29.4	Very low	27.6	Very low	81 Å²	81	138.8 Å²	138.8	67%	0.669	78%	0.778	S	S	*	*			trans	76	150	174.3	0	0	0	0	0	115.7
160	D	27	Very low	27.5	Very low	153 Å²	153	137.4 Å²	137.4	82%	0.818	78%	0.784	S	S	*	*			cis	-164.9	149.5	-21.5	-105.1	-29.7	0	0	0	108.2
161	S	27.9	Very low	27.5	Very low	127 Å²	127	133.5 Å²	133.5	89%	0.888	79%	0.787	S	S	*	*			trans	-179.9	145.6	143.7	25.7	0	0	0	0	111
162	A	27.6	Very low	27.3	Very low	82 Å²	82	133.4 Å²	133.4	68%	0.678	79%	0.787	S	S	*	*			trans	-127.4	177.6	-167.4	0	0	0	0	0	112.5
163	N	28.7	Very low	27.1	Very low	137 Å²	137	135.5 Å²	135.5	73%	0.733	79%	0.79	S	S	*	*			trans	72.3	145.9	167.1	-65.2	41.9	0	0	0	115.5
164	D	26	Very low	27	Very low	136 Å²	136	134.7 Å²	134.7	73%	0.727	80%	0.796	S	S	*	*			cis	-158.1	173.1	-9.3	-94.1	-28.8	0	0	0	106.8
165	E	27.6	Very low	26.8	Very low	160 Å²	160	136.2 Å²	136.2	75%	0.748	81%	0.805	S	S	*	*			cis	-151.2	-149.6	13	-146.8	-145.5	92.1	0	0	112.2
166	N	26.2	Very low	26.6	Very low	138 Å²	138	135.9 Å²	135.9	74%	0.738	80%	0.804	S	S	*	*			trans	-74.8	159.9	179.9	-69.8	-67.4	0	0	0	117.2
167	A	25.6	Very low	26.6	Very low	92 Å²	92	138.1 Å²	138.1	76%	0.76	81%	0.81	S	S	*	*				-172.7	114.8	118.6	0	0	0	0	0	115.1
168	E	26.1	Very low	26.2	Very low	191 Å²	191	135.1 Å²	135.1	89%	0.893	80%	0.803	S	S	*	*			trans	46.4	128.4	139.1	-58.1	-165.7	136.3	0	0	124.7
169	K	30.4	Very low	26.1	Very low	209 Å²	209	135.3 Å²	135.3	91%	0.909	80%	0.804	S	S	*	*			trans	-66.4	144.7	154.9	-63.3	170.1	177.7	173.3	0	110.3
170	S	25.3	Very low	25.8	Very low	116 Å²	116	137.8 Å²	137.8	81%	0.811	81%	0.811	S	S	*	*			trans	-125.1	120.2	159.9	51.3	0	0	0	0	112
171	S	26	Very low	25.7	Very low	119 Å²	119	135 Å²	135	83%	0.832	80%	0.803	S	S	*	*			trans	-103.7	124.2	165.1	53.5	0	0	0	0	108.3
172	V	24.1	Very low	25.6	Very low	140 Å²	140	137.1 Å²	137.1	85%	0.848	80%	0.799	S	S	*	*			trans	-135.7	130.4	171.4	-178.2	0	0	0	0	110.5
173	S	22.7	Very low	25.4	Very low	110 Å²	110	139 Å²	139	77%	0.769	81%	0.807	S	S	*	*			trans	-83.4	161.4	175.3	47.7	0	0	0	0	112.4
174	S	24.7	Very low	25.2	Very low	121 Å²	121	141.8 Å²	141.8	85%	0.846	81%	0.813	S	S	*	*			trans	-136.4	133.4	160.8	59.8	0	0	0	0	110.5
175	M	23.5	Very low	25.1	Very low	189 Å²	189	139.8 Å²	139.8	93%	0.931	82%	0.815	S	S	*	*			trans	-84.6	167.7	-173.2	-73	163.3	138.2	0	0	114
176	D	24.4	Very low	25.1	Very low	157 Å²	157	139.2 Å²	139.2	84%	0.84	82%	0.823	S	S	*	*			trans	-67	153.9	176.9	-76.8	-64	0	0	0	115.6
177	E	27	Very low	25.1	Very low	200 Å²	200	142.1 Å²	142.1	94%	0.935	83%	0.829	S	S	*	*				166.3	137.6	117.8	-90.2	-171.5	-174.8	0	0	109.7
178	G	23	Very low	25.1	Very low	67 Å²	67	146.1 Å²	146.1	69%	0.691	84%	0.837	S	S	*	*			cis	-179.6	167.1	-8	0	0	0	0	0	112.5
179	S	24.2	Very low	25	Very low	116 Å²	116	140.7 Å²	140.7	81%	0.811	83%	0.833	S	S	*	*			trans	51.7	123.5	158.1	-57.1	0	0	0	0	118.9
180	T	23.5	Very low	24.8	Very low	134 Å²	134	134.8 Å²	134.8	82%	0.822	83%	0.831	S	S	*	*			cis	-170.3	176.9	40.7	-10.4	0	0	0	0	108.1
181	S	25.5	Very low	24.9	Very low	94 Å²	94	140.5 Å²	140.5	66%	0.657	84%	0.835	S	S	*	*			cis	-158.5	142.6	7	50.2	0	0	0	0	113.6
182	Q	24.7	Very low	25	Very low	171 Å²	171	142.8 Å²	142.8	80%	0.799	84%	0.838	S	S	*	*			trans	52.4	102.1	143.9	-61.9	-178.5	-1.8	0	0	120.3
183	S	23.9	Very low	25.4	Very low	122 Å²	122	145.9 Å²	145.9	85%	0.853	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-99.7	143.3	147.2	56.5	0	0	0	0	110.2
184	F	24.5	Very low	25.6	Very low	196 Å²	196	146.1 Å²	146.1	86%	0.86	84%	0.842	S	S	*	*	P	Polyproline II helix	trans	-84.5	128.1	-175.8	-87.7	-94.4	0	0	0	112.6
185	A	24.6	Very low	25.9	Very low	93 Å²	93	146 Å²	146	77%	0.769	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-82	146.3	174	0	0	0	0	0	112.6
186	V	26.5	Very low	26.1	Very low	149 Å²	149	146.2 Å²	146.2	90%	0.903	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-94.1	137.4	162.8	177.6	0	0	0	0	108.8
187	K	26.5	Very low	26.4	Very low	199 Å²	199	150.2 Å²	150.2	87%	0.865	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-74.6	138.8	-165.4	-66.1	176.1	176.9	177.8	0	113.6
188	N	27	Very low	26.5	Very low	175 Å²	175	150.4 Å²	150.4	94%	0.936	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-78.7	150.1	156.5	-102.5	-16.6	0	0	0	111.1
189	G	23.8	Very low	26.8	Very low	78 Å²	78	154.6 Å²	154.6	80%	0.804	85%	0.847	S	S	*	*			trans	-160.6	132.7	168.1	0	0	0	0	0	111.2
190	G	24.5	Very low	27.3	Very low	85 Å²	85	154.7 Å²	154.7	88%	0.876	85%	0.845	S	S	*	*			trans	107.2	89	175.4	0	0	0	0	0	114.2
191	R	29	Very low	28.1	Very low	236 Å²	236	154.4 Å²	154.4	89%	0.891	84%	0.838	S	S	*	*			trans	-82.9	127.1	170.5	-154.4	-177.9	-163.6	172.2	3.5	108.2
192	N	26.5	Very low	28.9	Very low	167 Å²	167	159.7 Å²	159.7	89%	0.893	85%	0.85	S	S	*	*			trans	-145.4	135.9	156.3	-108.1	-13.7	0	0	0	109.7
193	K	33.3	Very low	29.8	Very low	204 Å²	204	160.6 Å²	160.6	89%	0.887	85%	0.854	S	S	*	*			trans	-92.1	126.3	178.6	-76.6	-178.8	172.6	-177	0	109.7
194	S	26.2	Very low	31	Very low	116 Å²	116	165.4 Å²	165.4	81%	0.811	85%	0.853	S	S	*	*			trans	-145.6	144	150.4	48	0	0	0	0	109.3
195	S	31.2	Very low	32.1	Very low	118 Å²	118	160.5 Å²	160.5	83%	0.825	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-71.3	122.6	-170.3	49.6	0	0	0	0	113
196	E	28.5	Very low	33.4	Very low	193 Å²	193	159.4 Å²	159.4	90%	0.902	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-81.5	133.5	163.4	-72.7	179.6	152	0	0	110.3
197	R	30.1	Very low	34.8	Very low	241 Å²	241	159 Å²	159	91%	0.909	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-75.3	144.4	168	-67.6	175.6	174.1	178.5	-3.1	108	D199	R197-D199 PolarHBondContact O-N 3.29Å
198	K	28.5	Very low	37.2	Very low	204 Å²	204	152.9 Å²	152.9	89%	0.887	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-70.4	119.7	169.8	-72.6	-174.4	174.3	-173.4	0	109.4
199	D	29.9	Very low	40.2	Very low	156 Å²	156	147.7 Å²	147.7	83%	0.834	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-74.8	124.8	161.4	-104.7	-31.8	0	0	0	109.5	R197 D201	R197-D199 PolarHBondContact O-N 3.29Å; D199-D201 PolarHBondContact O-N 3.09Å
200	P	34.4	Very low	43.6	Very low	118 Å²	118	146 Å²	146	77%	0.766	77%	0.774	S	S	*	*	S	Bend	trans	-96.9	61.4	-176	38.8	-34.8	0	0	0	112.2
201	D	39.9	Very low	47.1	Very low	127 Å²	127	147.2 Å²	147.2	68%	0.679	75%	0.751	S	S	*	*			trans	-141.8	22	178.3	-114.1	-29	0	0	0	114.9	D199	D199-D201 PolarHBondContact O-N 3.09Å
202	K	42.4	Very low	50.4	Low	205 Å²	205	137.8 Å²	137.8	89%	0.891	72%	0.718	S	S	*	*			trans	-105.6	59.2	172.9	-83.5	-168.3	173.3	-178	0	113
203	E	44.7	Very low	53.9	Low	190 Å²	190	131.6 Å²	131.6	89%	0.888	69%	0.694	S	S	*	*			trans	-161.6	84	165.9	-118.2	164.4	-151.6	0	0	111
204	R	49.3	Very low	57	Low	223 Å²	223	123.3 Å²	123.3	84%	0.842	66%	0.661	S	S	*	*			trans	-134.1	10.5	176.3	-81.4	-163	-178.7	-138.1	2.3	116.1
205	T	48.2	Very low	60.4	Low	93 Å²	93	120.4 Å²	120.4	57%	0.571	64%	0.639	S	S	*	*	S	Bend	trans	-124.7	118.1	170.3	50.9	0	0	0	0	109.8	T662	T205-T662 HydrophobicContact CG2-CG2 4.45Å
206	A	51.6	Low	63.6	Low	71 Å²	71	116.9 Å²	116.9	59%	0.587	61%	0.611	S	S	*	*			trans	-60.9	131	170	0	0	0	0	0	109.2	G208	A206-G208 PolarHBondContact O-N 2.91Å; A206-G208 VanDerWaalsContact O-N 3.15Å
207	P	55.3	Low	66.9	Low	139 Å²	139	112.3 Å²	112.3	90%	0.903	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	118	-177.2	24.9	-33.1	0	0	0	110.5
208	G	77.3	Confident	70.1	Confident	71 Å²	71	107.5 Å²	107.5	73%	0.732	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	121.1	-0.4	174.5	0	0	0	0	0	116.7	A206	A206-G208 PolarHBondContact O-N 2.91Å; A206-G208 VanDerWaalsContact O-N 3.15Å
209	V	89.4	Confident	73.4	Confident	67 Å²	67	98.2 Å²	98.2	41%	0.406	55%	0.546	S	S	.	.			trans	-81.2	117.2	174.2	-177.2	0	0	0	0	110.3	W211 L212	V209-W211 VanDerWaalsContact CG1-O 3.23Å; V209-W211 WeakPolarHBondContact CG1-O 3.49Å; V209-L212 HydrophobicContact CG1-CD2 3.71Å; V209-L212 HydrophobicContact CG1-CG 4.29Å
210	T	95.4	Very high	76.6	Confident	43 Å²	43	94 Å²	94	26%	0.264	52%	0.518	S	S	.	.			trans	-105.3	-10.7	-177.7	60.1	0	0	0	0	114.3	T474 C475 E476 M661	T210-T474 WeakPolarHBondContact O-CA 3.16Å; T210-T474 PolarHBondContact O-OG1 3.45Å; T210-C475 PolarHBondContact O-N 2.76Å; T210-C475 PolarHBondContact O-SG 3.04Å; T210-E476 WeakPolarHBondContact CB-OE2 3.32Å; T210-E476 VanDerWaalsContact CG2-CD 3.5Å; T210-E476 HydrophobicContact CG2-CG 4.25Å; T210-E476 WeakPolarHBondContact CG2-OE2 3.29Å; T210-M661 VanDerWaalsContact C-SD 3.56Å
211	W	98.4	Very high	79.6	Confident	109 Å²	109	90.6 Å²	90.6	41%	0.413	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	158.7	176.1	69	-85.7	0	0	0	111.9	V209 P215 H472 I473	V209-W211 VanDerWaalsContact CG1-O 3.23Å; V209-W211 WeakPolarHBondContact CG1-O 3.49Å; W211-P215 HydrophobicContact CH2-CB 4.14Å; W211-P215 HydrophobicContact CH2-CG 4.03Å; W211-P215 HydrophobicContact CZ3-CB 4.46Å; W211-P215 HydrophobicContact CZ3-CG 4.4Å; W211-H472 AromaticContact CD2-CE1 3.72Å; W211-H472 AromaticContact CE3-CE1 3.49Å; W211-H472 VanDerWaalsContact CE3-CE1 3.49Å; W211-H472 AromaticContact CE3-ND1 3.6Å; W211-H472 AromaticContact CG-CE1 3.81Å; W211-I473 CarbonylContact C-O 3.49Å; W211-I473 VanDerWaalsContact CA-O 3.23Å; W211-I473 WeakPolarHBondContact CA-O 3.3Å; W211-I473 WeakPolarHBondContact CB-O 3.1Å
212	L	98.6	Very high	82.4	Confident	38 Å²	38	86.3 Å²	86.3	20%	0.199	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	167.1	-179.1	-63.9	171.8	0	0	0	111.8	V209 I473 M661 H665	V209-L212 HydrophobicContact CG1-CD2 3.71Å; V209-L212 HydrophobicContact CG1-CG 4.29Å; L212-I473 HydrophobicContact CB-CG2 4.09Å; L212-I473 PolarHBondContact N-O 2.92Å; L212-I473 PolarHBondContact O-N 2.85Å; L212-I473 VanDerWaalsContact O-N 3.1Å; L212-M661 HydrophobicContact CD1-CE 4.24Å; L212-M661 HydrophobicContact CD1-CG 4.22Å; L212-M661 HydrophobicContact CG-CE 4.31Å; L212-M661 HydrophobicContact CG-CG 4.46Å; L212-H665 HydrophobicContact CB-CB 3.98Å; L212-H665 VanDerWaalsContact CB-CD2 3.41Å; L212-H665 WeakPolarHBondContact CB-CD2 3.4Å; L212-H665 HydrophobicContact CD1-CB 3.71Å
213	G	98.3	Very high	84.9	Confident	37 Å²	37	79.1 Å²	79.1	38%	0.381	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	82.5	-139.4	177	0	0	0	0	0	114.4	H665	G213-H665 PolarHBondContact N-CD2 3.31Å; G213-H665 VanDerWaalsContact N-CD2 3.34Å; G213-H665 PolarHBondContact N-NE2 3.39Å
214	T	98.6	Very high	87.3	Confident	30 Å²	30	76.6 Å²	76.6	18%	0.184	43%	0.429	C	S	.	.	S	Bend	trans	-72	136.5	179.6	-64.4	0	0	0	0	110.5	I216 K218 L219 R470 L471 H472	T214-I216 PolarHBondContact O-N 2.87Å; T214-K218 HydrophobicContact CG2-CB 3.96Å; T214-L219 HydrophobicContact CG2-CD2 3.94Å; T214-R470 HydrophobicContact CG2-CB 4.49Å; T214-L471 WeakPolarHBondContact CB-O 3.23Å; T214-L471 PolarHBondContact N-O 2.6Å; T214-H472 VanDerWaalsContact O-CB 3.3Å; T214-H472 WeakPolarHBondContact O-CB 3.46Å; T214-H472 PolarHBondContact O-ND1 2.96Å
215	P	98.4	Very high	89.4	Confident	56 Å²	56	66.7 Å²	66.7	36%	0.364	39%	0.394	S	S	.	.			trans	-59.6	133.2	173.7	-22.4	31.8	0	0	0	111.5	W211 S217 K218	W211-P215 HydrophobicContact CH2-CB 4.14Å; W211-P215 HydrophobicContact CH2-CG 4.03Å; W211-P215 HydrophobicContact CZ3-CB 4.46Å; W211-P215 HydrophobicContact CZ3-CG 4.4Å; P215-S217 PolarHBondContact O-N 3.12Å; P215-K218 HydrophobicContact CB-CG 4.25Å; P215-K218 HydrophobicContact CG-CG 4.44Å; P215-K218 WeakPolarHBondContact O-CB 3.31Å; P215-K218 PolarHBondContact O-N 3.44Å
216	I	98.1	Very high	91.4	Very high	44 Å²	44	63.7 Å²	63.7	23%	0.226	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-61.1	-21.4	-173.5	-151.7	-178.2	0	0	0	113.9	T214 K218 L219 M486 F653	T214-I216 PolarHBondContact O-N 2.87Å; I216-K218 VanDerWaalsContact C-N 3.29Å; I216-K218 PolarHBondContact O-N 2.83Å; I216-L219 HydrophobicContact CG1-CD1 4.33Å; I216-L219 PolarHBondContact O-N 3.2Å; I216-M486 HydrophobicContact CG1-CE 4.03Å; I216-F653 HydrophobicContact CD1-CZ 4.22Å
217	S	97.3	Very high	93.1	Very high	97 Å²	97	62.2 Å²	62.2	68%	0.678	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-75.7	-10.7	174.1	57.7	0	0	0	0	114.3	P215	P215-S217 PolarHBondContact O-N 3.12Å
218	K	98.1	Very high	94.7	Very high	140 Å²	140	64.9 Å²	64.9	61%	0.609	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-95.4	-2.8	174	-61.4	-63.6	-173.5	179.4	0	112.9	T214 P215 I216 R470	T214-K218 HydrophobicContact CG2-CB 3.96Å; P215-K218 HydrophobicContact CB-CG 4.25Å; P215-K218 HydrophobicContact CG-CG 4.44Å; P215-K218 WeakPolarHBondContact O-CB 3.31Å; P215-K218 PolarHBondContact O-N 3.44Å; I216-K218 VanDerWaalsContact C-N 3.29Å; I216-K218 PolarHBondContact O-N 2.83Å; K218-R470 PolarHBondContact O-NH1 2.83Å; K218-R470 PolarHBondContact O-NH2 3.2Å
219	L	98.2	Very high	95.4	Very high	9 Å²	9	63.3 Å²	63.3	5%	0.047	35%	0.345	C	S	.	.	S	Bend	trans	-85.7	142.5	175.3	-61.4	-170.2	0	0	0	110.6	T214 I216 H472 M486 A617 D649 A651	T214-L219 HydrophobicContact CG2-CD2 3.94Å; I216-L219 HydrophobicContact CG1-CD1 4.33Å; I216-L219 PolarHBondContact O-N 3.2Å; L219-H472 HydrophobicContact CD1-CB 3.67Å; L219-M486 HydrophobicContact CB-CE 3.58Å; L219-M486 HydrophobicContact CD1-CE 3.77Å; L219-M486 HydrophobicContact CG-CE 4.3Å; L219-A617 HydrophobicContact CB-CB 3.95Å; L219-A617 HydrophobicContact CD1-CB 4.16Å; L219-D649 HydrophobicContact CD2-CB 3.78Å; L219-A651 HydrophobicContact CD1-CB 3.84Å
220	R	97.6	Very high	95.6	Very high	67 Å²	67	64.1 Å²	64.1	25%	0.253	35%	0.351	S	S	.	.			trans	-69.5	138.2	-177.7	-67.3	-170.1	-64.7	-84.8	4.2	110.7	C225 S612 Q613 L615 A616 A617 G647 D649	R220-C225 HydrophobicContact CB-CB 3.99Å; R220-C225 HydrophobicContact CG-CB 4.34Å; R220-S612 PolarHBondContact NH2-O 3.21Å; R220-Q613 VanDerWaalsContact CD-O 3.28Å; R220-Q613 WeakPolarHBondContact CD-O 3.49Å; R220-L615 PolarHBondContact NE-O 3.09Å; R220-L615 PolarHBondContact NH2-O 3.37Å; R220-A616 CarbonylContact O-C 3.52Å; R220-A616 WeakPolarHBondContact O-CA 3.28Å; R220-A616 WeakPolarHBondContact O-CB 3.36Å; R220-A617 PolarHBondContact O-N 2.91Å; R220-G647 PolarHBondContact NH2-O 3.29Å; R220-D649 IonicContact CZ-OD2 2.63Å; R220-D649 IonicContact NH1-OD2 2.78Å; R220-D649 PolarHBondContact NH1-OD2 3.25Å; R220-D649 IonicContact NH2-OD2 3.21Å
221	R	97.7	Very high	95.6	Very high	46 Å²	46	66.9 Å²	66.9	17%	0.174	37%	0.37	C	S	.	.			trans	-135.6	155.6	-179.9	-65.1	179	-174.7	-108.6	6.4	110.3	E224 C225 D482 Y484 G485 M486	R221-E224 PolarHBondContact O-N 3.28Å; R221-E224 VanDerWaalsContact O-N 3.15Å; R221-C225 VanDerWaalsContact C-SG 3.59Å; R221-C225 PolarHBondContact O-N 3.2Å; R221-C225 PolarHBondContact O-SG 3.24Å; R221-D482 PolarHBondContact NH1-O 3.31Å; R221-D482 PolarHBondContact NH2-O 3.46Å; R221-Y484 WeakPolarHBondContact CD-O 3.15Å; R221-Y484 PolarHBondContact NH1-O 2.82Å; R221-G485 CarbonylContact C-O 3.56Å; R221-G485 WeakPolarHBondContact CA-O 3.45Å; R221-M486 HydrophobicContact CG-CE 4.28Å; R221-M486 HydrophobicContact CG-CG 4.11Å
222	M	96.9	Very high	95.6	Very high	38 Å²	38	62.2 Å²	62.2	19%	0.187	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	141.7	168.4	-66.3	-64.9	-66.1	0	0	109.6	G226 G485 C571 A616	M222-G226 VanDerWaalsContact SD-CA 3.59Å; M222-G485 WeakPolarHBondContact CB-O 3.23Å; M222-G485 PolarHBondContact N-O 2.99Å; M222-G485 WeakPolarHBondContact O-CA 3.21Å; M222-C571 HydrophobicContact CB-CB 4.19Å; M222-A616 HydrophobicContact CG-CB 4.34Å
223	P	95.4	Very high	95.4	Very high	53 Å²	53	66.8 Å²	66.8	34%	0.344	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	cis	-82.8	-4.8	5.3	32.9	-36	0	0	0	115.4	C225 G226 P563	P223-C225 PolarHBondContact O-N 3.38Å; P223-G226 WeakPolarHBondContact O-CA 3.28Å; P223-G226 PolarHBondContact O-N 3.41Å; P223-P563 HydrophobicContact CG-CG 4.01Å
224	E	95.3	Very high	95.3	Very high	137 Å²	137	68.5 Å²	68.5	64%	0.64	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-37.7	-163.8	-60.3	75.1	-163.2	0	0	114.3	R221 G226	R221-E224 PolarHBondContact O-N 3.28Å; R221-E224 VanDerWaalsContact O-N 3.15Å; E224-G226 VanDerWaalsContact C-N 3.32Å
225	C	94.2	Very high	95.2	Very high	16 Å²	16	69.6 Å²	69.6	11%	0.108	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.4	4	170.9	70.7	0	0	0	0	113.3	R220 R221 P223 G227 N614	R220-C225 HydrophobicContact CB-CB 3.99Å; R220-C225 HydrophobicContact CG-CB 4.34Å; R221-C225 VanDerWaalsContact C-SG 3.59Å; R221-C225 PolarHBondContact O-N 3.2Å; R221-C225 PolarHBondContact O-SG 3.24Å; P223-C225 PolarHBondContact O-N 3.38Å; C225-G227 PolarHBondContact O-N 3.07Å; C225-N614 CarbonylContact O-C 3.49Å; C225-N614 WeakPolarHBondContact O-CA 3.42Å
226	G	90.3	Very high	94.9	Very high	30 Å²	30	71.7 Å²	71.7	31%	0.309	39%	0.392	S	S	.	.			trans	-72.6	113.5	-178.9	0	0	0	0	0	111.9	M222 P223 E224	M222-G226 VanDerWaalsContact SD-CA 3.59Å; P223-G226 WeakPolarHBondContact O-CA 3.28Å; P223-G226 PolarHBondContact O-N 3.41Å; E224-G226 VanDerWaalsContact C-N 3.32Å
227	G	86.3	Confident	94.5	Very high	39 Å²	39	76.5 Å²	76.5	40%	0.402	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-59.5	152.7	162.6	0	0	0	0	0	111.5	C225 L229	C225-G227 PolarHBondContact O-N 3.07Å; G227-L229 PolarHBondContact O-N 3.32Å
228	K	88.8	Confident	94.4	Very high	196 Å²	196	78.1 Å²	78.1	85%	0.852	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-57.1	126.9	178.9	-177.5	176	-178.3	175.9	0	110.8
229	L	92.2	Very high	94.4	Very high	38 Å²	38	72.5 Å²	72.5	20%	0.199	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-71.2	143.7	179.9	-67.1	176.9	0	0	0	111.2	G227 D565 D566 W567	G227-L229 PolarHBondContact O-N 3.32Å; L229-D565 HydrophobicContact CD1-CB 3.86Å; L229-D565 WeakPolarHBondContact CD1-OD2 3.37Å; L229-D566 HydrophobicContact CB-CB 4.4Å; L229-D566 HydrophobicContact CD1-CB 4.38Å; L229-W567 HydrophobicContact CD1-CD2 4.09Å; L229-W567 HydrophobicContact CD1-CG 3.94Å
230	P	93.6	Very high	94.4	Very high	84 Å²	84	73 Å²	73	55%	0.545	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-64.6	158.8	168.4	28.6	-33.1	0	0	0	110.1	L232 W567	P230-L232 PolarHBondContact O-N 2.82Å; P230-W567 HydrophobicContact CG-CZ2 4.25Å; P230-W567 PolarHBondContact O-NE1 2.6Å
231	P	95.6	Very high	94.4	Very high	101 Å²	101	69.9 Å²	69.9	66%	0.656	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-58.9	127.9	176.2	-22.5	33.3	0	0	0	111.1	K233	P231-K233 PolarHBondContact O-N 3.34Å
232	L	97.4	Very high	94.5	Very high	11 Å²	11	67.7 Å²	67.7	6%	0.058	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-60.5	121.6	177	-179.5	61.7	0	0	0	110	P230 V241 I243 T245 L248 T378 L447 W567	P230-L232 PolarHBondContact O-N 2.82Å; L232-V241 HydrophobicContact CD1-CG1 4.42Å; L232-V241 HydrophobicContact CD1-CG2 3.71Å; L232-V241 HydrophobicContact CD2-CG1 4.1Å; L232-V241 HydrophobicContact CG-CG1 4.11Å; L232-V241 HydrophobicContact CG-CG2 4.17Å; L232-I243 HydrophobicContact CD2-CD1 4.44Å; L232-T245 HydrophobicContact CB-CG2 4.22Å; L232-T245 HydrophobicContact CD2-CG2 3.96Å; L232-T245 HydrophobicContact CG-CG2 3.81Å; L232-T245 WeakPolarHBondContact O-CB 3.32Å; L232-T245 WeakPolarHBondContact O-CG2 3.4Å; L232-T245 PolarHBondContact O-OG1 3.3Å; L232-L248 HydrophobicContact CD2-CD2 4.44Å; L232-T378 HydrophobicContact CD1-CG2 4.43Å; L232-T378 HydrophobicContact CD2-CG2 4.05Å; L232-L447 HydrophobicContact CD2-CD1 3.54Å; L232-W567 HydrophobicContact CB-CD2 4.06Å; L232-W567 HydrophobicContact CB-CG 4.05Å; L232-W567 HydrophobicContact CB-CZ2 4.48Å; L232-W567 HydrophobicContact CD1-CD2 3.92Å; L232-W567 HydrophobicContact CD1-CE3 3.84Å; L232-W567 HydrophobicContact CD1-CH2 4.14Å; L232-W567 HydrophobicContact CD1-CZ2 4.2Å; L232-W567 HydrophobicContact CD1-CZ3 3.97Å; L232-W567 HydrophobicContact CD2-CG 4.42Å; L232-W567 HydrophobicContact CG-CD2 4.39Å
233	K	95.7	Very high	94.5	Very high	134 Å²	134	66.1 Å²	66.1	58%	0.583	37%	0.367	S	S	*	.			trans	-140	149.5	-178.8	-70.7	176.7	-177.2	178.7	0	109.8	P231 V235 V241	P231-K233 PolarHBondContact O-N 3.34Å; K233-V235 HydrophobicContact CB-CG2 4.45Å; K233-V241 VanDerWaalsContact O-CG2 3.27Å; K233-V241 WeakPolarHBondContact O-CG2 3.34Å
234	D	95.3	Very high	94.7	Very high	72 Å²	72	67.8 Å²	67.8	39%	0.385	37%	0.366	S	S	.	.			trans	-73.1	126.5	163.7	-161.5	-85.4	0	0	0	108	H239 V241 K364	D234-H239 CarbonylContact C-O 3.54Å; D234-H239 WeakPolarHBondContact CA-O 3.27Å; D234-V241 HydrophobicContact CB-CB 4.22Å; D234-V241 PolarHBondContact OD2-N 3.27Å; D234-K364 IonicContact OD2-NZ 3.77Å; D234-K364 PolarHBondContact OD2-NZ 2.82Å
235	V	96.3	Very high	94.7	Very high	53 Å²	53	63.9 Å²	63.9	32%	0.321	35%	0.352	S	S	.	.	B	Isolated β-bridge	trans	-126.1	114.9	-178.9	-174.8	0	0	0	0	107.7	K233 D237 Q238 H239	K233-V235 HydrophobicContact CB-CG2 4.45Å; V235-D237 PolarHBondContact O-N 3.3Å; V235-Q238 HydrophobicContact CB-CB 4.25Å; V235-Q238 HydrophobicContact CG1-CB 3.96Å; V235-Q238 HydrophobicContact CG1-CG 4.33Å; V235-Q238 PolarHBondContact O-N 3.47Å; V235-H239 HydrophobicContact CB-CB 4.18Å; V235-H239 HydrophobicContact CG2-CB 4.47Å; V235-H239 PolarHBondContact N-O 3.17Å; V235-H239 CarbonylContact O-C 3.56Å; V235-H239 PolarHBondContact O-N 2.92Å
236	P	92.2	Very high	94.8	Very high	100 Å²	100	67.8 Å²	67.8	65%	0.649	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.1	139	178.9	-29.5	36.2	0	0	0	112.3	Q238	P236-Q238 PolarHBondContact O-N 2.86Å
237	D	89.7	Confident	95.1	Very high	145 Å²	145	69.5 Å²	69.5	78%	0.775	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	-5.5	-179.3	-53.4	-47.3	0	0	0	116.8	V235 H375	V235-D237 PolarHBondContact O-N 3.3Å; D237-H375 VanDerWaalsContact C-CE1 3.47Å; D237-H375 PolarHBondContact O-ND1 3.49Å
238	Q	94.9	Very high	95.6	Very high	131 Å²	131	69.2 Å²	69.2	61%	0.612	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.5	-44.1	-178.4	-61.6	-178.9	-3.6	0	0	114.2	V235 P236 H375 S376	V235-Q238 HydrophobicContact CB-CB 4.25Å; V235-Q238 HydrophobicContact CG1-CB 3.96Å; V235-Q238 HydrophobicContact CG1-CG 4.33Å; V235-Q238 PolarHBondContact O-N 3.47Å; P236-Q238 PolarHBondContact O-N 2.86Å; Q238-H375 VanDerWaalsContact C-CE1 3.5Å; Q238-H375 PolarHBondContact N-CE1 3Å; Q238-H375 PolarHBondContact N-ND1 3.47Å; Q238-H375 WeakPolarHBondContact O-CA 3.41Å; Q238-H375 PolarHBondContact O-ND1 2.79Å; Q238-S376 PolarHBondContact O-N 3.24Å
239	H	98.1	Very high	95.8	Very high	22 Å²	22	67 Å²	67	10%	0.102	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	103.7	-172.9	-165.2	173.1	0	0	0	113	D234 V235 S376 T378 W567	D234-H239 CarbonylContact C-O 3.54Å; D234-H239 WeakPolarHBondContact CA-O 3.27Å; V235-H239 HydrophobicContact CB-CB 4.18Å; V235-H239 HydrophobicContact CG2-CB 4.47Å; V235-H239 PolarHBondContact N-O 3.17Å; V235-H239 CarbonylContact O-C 3.56Å; V235-H239 PolarHBondContact O-N 2.92Å; H239-S376 CarbonylContact C-O 3.53Å; H239-S376 WeakPolarHBondContact CA-O 3.46Å; H239-S376 PolarHBondContact CD2-O 2.9Å; H239-T378 PolarHBondContact CE1-OG1 3.42Å; H239-T378 PolarHBondContact NE2-OG1 2.95Å; H239-W567 AromaticContact CE1-CH2 3.94Å; H239-W567 AromaticContact CE1-CZ3 3.78Å
240	T	98.7	Very high	95.6	Very high	20 Å²	20	69.8 Å²	69.8	12%	0.123	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	127.4	170.6	-61.1	0	0	0	0	111.2	M242 K364 P367 H375 S376 I377 T378	T240-M242 HydrophobicContact CG2-CG 4.39Å; T240-K364 HydrophobicContact CG2-CD 3.84Å; T240-P367 HydrophobicContact CG2-CG 4.31Å; T240-P367 WeakPolarHBondContact OG1-CG 3.39Å; T240-H375 PolarHBondContact N-NE2 3.31Å; T240-H375 PolarHBondContact OG1-NE2 3.15Å; T240-S376 PolarHBondContact N-O 2.82Å; T240-I377 CarbonylContact O-C 3.54Å; T240-I377 WeakPolarHBondContact O-CA 3.29Å; T240-T378 PolarHBondContact O-N 3.16Å
241	V	98.7	Very high	95.3	Very high	2 Å²	2	70.4 Å²	70.4	1%	0.012	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.5	177.5	-178.7	0	0	0	0	110.8	L232 K233 D234 I243 T245 K364	L232-V241 HydrophobicContact CD1-CG1 4.42Å; L232-V241 HydrophobicContact CD1-CG2 3.71Å; L232-V241 HydrophobicContact CD2-CG1 4.1Å; L232-V241 HydrophobicContact CG-CG1 4.11Å; L232-V241 HydrophobicContact CG-CG2 4.17Å; K233-V241 VanDerWaalsContact O-CG2 3.27Å; K233-V241 WeakPolarHBondContact O-CG2 3.34Å; D234-V241 HydrophobicContact CB-CB 4.22Å; D234-V241 PolarHBondContact OD2-N 3.27Å; V241-I243 HydrophobicContact CG1-CD1 4.28Å; V241-I243 HydrophobicContact CG1-CG1 4.1Å; V241-I243 PolarHBondContact O-N 3.03Å; V241-T245 HydrophobicContact CG1-CG2 3.67Å; V241-K364 PolarHBondContact O-NZ 2.86Å
242	M	98.4	Very high	95.3	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.364	C	S	.	.			trans	-93.1	11.3	-167.7	-57.9	-164.9	74.8	0	0	115.1	T240 Y257 K364 I366 I377 T378 M379 Q383	T240-M242 HydrophobicContact CG2-CG 4.39Å; M242-Y257 PolarHBondContact O-N 3.06Å; M242-K364 HydrophobicContact CE-CB 3.98Å; M242-K364 WeakPolarHBondContact CE-O 3.34Å; M242-I366 HydrophobicContact CE-CD1 4.34Å; M242-I366 HydrophobicContact CE-CG1 3.46Å; M242-I366 VanDerWaalsContact CE-CG1 3.46Å; M242-I366 HydrophobicContact SD-CG1 3.85Å; M242-I377 HydrophobicContact CG-CG2 4.49Å; M242-I377 HydrophobicContact SD-CG2 4.24Å; M242-T378 PolarHBondContact N-O 3.36Å; M242-M379 HydrophobicContact CB-CB 4.23Å; M242-M379 HydrophobicContact CG-CB 4.28Å; M242-M379 HydrophobicContact SD-CB 3.92Å; M242-M379 HydrophobicContact SD-CE 3.51Å; M242-M379 VanDerWaalsContact SD-CE 3.51Å; M242-Q383 PolarHBondContact O-NE2 3.19Å
243	I	98.5	Very high	95.3	Very high	4 Å²	4	73.5 Å²	73.5	2%	0.021	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-137.6	161	-172	60.2	84.1	0	0	0	112.5	L232 V241 T245 L248 P254 I255 Y257 L447	L232-I243 HydrophobicContact CD2-CD1 4.44Å; V241-I243 HydrophobicContact CG1-CD1 4.28Å; V241-I243 HydrophobicContact CG1-CG1 4.1Å; V241-I243 PolarHBondContact O-N 3.03Å; I243-T245 HydrophobicContact CD1-CG2 3.76Å; I243-T245 PolarHBondContact O-N 3.21Å; I243-T245 VanDerWaalsContact O-N 3.17Å; I243-L248 HydrophobicContact CD1-CD1 4.47Å; I243-P254 HydrophobicContact CB-CB 4.24Å; I243-P254 HydrophobicContact CG2-CB 3.96Å; I243-I255 CarbonylContact C-O 3.59Å; I243-I255 VanDerWaalsContact CA-O 3.27Å; I243-I255 WeakPolarHBondContact CA-O 3.37Å; I243-I255 WeakPolarHBondContact CB-O 3.47Å; I243-Y257 VanDerWaalsContact C-CB 3.41Å; I243-L447 HydrophobicContact CD1-CD1 4.03Å; I243-L447 HydrophobicContact CD1-CD2 4.44Å; I243-L447 HydrophobicContact CG1-CD1 4.1Å; I243-L447 HydrophobicContact CG1-CD2 3.91Å; I243-L447 HydrophobicContact CG2-CD2 4.4Å
244	R	97.6	Very high	95.4	Very high	88 Å²	88	67.4 Å²	67.4	33%	0.332	35%	0.35	S	S	.	.			trans	-71.9	97.1	172	-74.2	-69.2	-65.4	-99.4	0.5	110.6	D246 L247 L248 I255 Y257	R244-D246 VanDerWaalsContact C-N 3.29Å; R244-D246 IonicContact CZ-OD1 3.46Å; R244-D246 IonicContact CZ-OD2 3.6Å; R244-D246 IonicContact NE-OD1 3.58Å; R244-D246 PolarHBondContact NE-OD1 3.47Å; R244-D246 IonicContact NE-OD2 3.48Å; R244-D246 PolarHBondContact NE-OD2 3.38Å; R244-D246 IonicContact NH2-OD1 2.81Å; R244-D246 IonicContact NH2-OD2 3.58Å; R244-D246 PolarHBondContact NH2-OD2 3.04Å; R244-D246 PolarHBondContact O-N 3.1Å; R244-L247 HydrophobicContact CB-CB 4.04Å; R244-L247 HydrophobicContact CB-CD1 4.18Å; R244-L247 HydrophobicContact CB-CG 4.19Å; R244-L247 HydrophobicContact CG-CD1 4.32Å; R244-L247 PolarHBondContact O-N 3.25Å; R244-L248 PolarHBondContact O-N 2.83Å; R244-I255 HydrophobicContact CB-CB 4.29Å; R244-I255 HydrophobicContact CG-CB 4.34Å; R244-I255 HydrophobicContact CG-CG2 4.11Å; R244-I255 PolarHBondContact N-O 2.84Å; R244-Y257 VanDerWaalsContact CD-CD2 3.41Å; R244-Y257 HydrophobicContact CG-CD2 4.22Å
245	T	96.9	Very high	95.6	Very high	56 Å²	56	68 Å²	68	34%	0.344	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-68.3	-28.3	-177.8	58.3	0	0	0	0	112.9	L232 V241 I243 L247 L248	L232-T245 HydrophobicContact CB-CG2 4.22Å; L232-T245 HydrophobicContact CD2-CG2 3.96Å; L232-T245 HydrophobicContact CG-CG2 3.81Å; L232-T245 WeakPolarHBondContact O-CB 3.32Å; L232-T245 WeakPolarHBondContact O-CG2 3.4Å; L232-T245 PolarHBondContact O-OG1 3.3Å; V241-T245 HydrophobicContact CG1-CG2 3.67Å; I243-T245 HydrophobicContact CD1-CG2 3.76Å; I243-T245 PolarHBondContact O-N 3.21Å; I243-T245 VanDerWaalsContact O-N 3.17Å; T245-L247 VanDerWaalsContact C-N 3.28Å; T245-L247 PolarHBondContact O-N 3.09Å; T245-L248 WeakPolarHBondContact O-CB 3.08Å; T245-L248 PolarHBondContact O-N 3.1Å
246	D	96.1	Very high	95.7	Very high	98 Å²	98	66.6 Å²	66.6	52%	0.524	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-69.6	-21.1	174.2	66.4	-52.9	0	0	0	113.8	R244	R244-D246 VanDerWaalsContact C-N 3.29Å; R244-D246 IonicContact CZ-OD1 3.46Å; R244-D246 IonicContact CZ-OD2 3.6Å; R244-D246 IonicContact NE-OD1 3.58Å; R244-D246 PolarHBondContact NE-OD1 3.47Å; R244-D246 IonicContact NE-OD2 3.48Å; R244-D246 PolarHBondContact NE-OD2 3.38Å; R244-D246 IonicContact NH2-OD1 2.81Å; R244-D246 IonicContact NH2-OD2 3.58Å; R244-D246 PolarHBondContact NH2-OD2 3.04Å; R244-D246 PolarHBondContact O-N 3.1Å
247	L	96.2	Very high	95.9	Very high	66 Å²	66	67.4 Å²	67.4	35%	0.346	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-105.4	0.5	177.6	-57.5	-178.8	0	0	0	113	R244 T245 R249 I255	R244-L247 HydrophobicContact CB-CB 4.04Å; R244-L247 HydrophobicContact CB-CD1 4.18Å; R244-L247 HydrophobicContact CB-CG 4.19Å; R244-L247 HydrophobicContact CG-CD1 4.32Å; R244-L247 PolarHBondContact O-N 3.25Å; T245-L247 VanDerWaalsContact C-N 3.28Å; T245-L247 PolarHBondContact O-N 3.09Å; L247-R249 PolarHBondContact O-N 2.85Å; L247-I255 HydrophobicContact CB-CD1 4.22Å; L247-I255 HydrophobicContact CD1-CD1 3.68Å
248	L	96.4	Very high	96.3	Very high	33 Å²	33	61.5 Å²	61.5	17%	0.173	31%	0.305	C	S	.	.			trans	-65.8	117.6	178.6	-174.4	65.5	0	0	0	110.2	L232 I243 R244 T245 P254 L447 R568	L232-L248 HydrophobicContact CD2-CD2 4.44Å; I243-L248 HydrophobicContact CD1-CD1 4.47Å; R244-L248 PolarHBondContact O-N 2.83Å; T245-L248 WeakPolarHBondContact O-CB 3.08Å; T245-L248 PolarHBondContact O-N 3.1Å; L248-P254 HydrophobicContact CD1-CB 4.37Å; L248-P254 HydrophobicContact CD1-CG 4.18Å; L248-L447 HydrophobicContact CD1-CD1 4.14Å; L248-L447 HydrophobicContact CD1-CD2 4.41Å; L248-L447 HydrophobicContact CD1-CG 4.27Å; L248-L447 HydrophobicContact CD2-CD1 3.9Å; L248-R568 HydrophobicContact CD1-CG 4.06Å; L248-R568 HydrophobicContact CD2-CG 4.25Å; L248-R568 HydrophobicContact CG-CG 4.04Å
249	R	92.8	Very high	96.4	Very high	150 Å²	150	59.6 Å²	59.6	57%	0.566	31%	0.312	S	S	*	.			trans	-137.6	153.9	-178.6	-64.4	-174	-170.9	-153.2	3.7	110.6	L247 K252	L247-R249 PolarHBondContact O-N 2.85Å; R249-K252 HydrophobicContact CB-CB 4.4Å; R249-K252 HydrophobicContact CB-CD 4.28Å; R249-K252 HydrophobicContact CB-CG 4.32Å; R249-K252 PolarHBondContact O-N 3.42Å
250	N	88.3	Confident	96.3	Very high	95 Å²	95	63.2 Å²	63.2	51%	0.508	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	143	176.4	-164.1	25.7	0	0	0	111.2	K252	N250-K252 PolarHBondContact O-N 3.38Å
251	C	88.1	Confident	96.2	Very high	98 Å²	98	64.8 Å²	64.8	66%	0.662	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	18.3	-179.6	-56.3	0	0	0	0	116.2
252	K	95.5	Very high	96.2	Very high	124 Å²	124	69.1 Å²	69.1	54%	0.539	36%	0.363	S	S	.	.	S	Bend	trans	-112.9	142.1	172.8	-65.3	-159.8	178.1	-166.1	0	110.8	R249 N250 P254	R249-K252 HydrophobicContact CB-CB 4.4Å; R249-K252 HydrophobicContact CB-CD 4.28Å; R249-K252 HydrophobicContact CB-CG 4.32Å; R249-K252 PolarHBondContact O-N 3.42Å; N250-K252 PolarHBondContact O-N 3.38Å; K252-P254 WeakPolarHBondContact O-CD 3.42Å
253	V	97	Very high	96.1	Very high	53 Å²	53	71.8 Å²	71.8	32%	0.321	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-63.6	125.1	174.9	179.7	0	0	0	0	109	E382 K443 T445	V253-E382 WeakPolarHBondContact CG1-OE2 3.46Å; V253-K443 HydrophobicContact CG2-CB 3.83Å; V253-K443 HydrophobicContact CG2-CD 4.35Å; V253-T445 HydrophobicContact CG2-CG2 4.13Å
254	P	98.1	Very high	96	Very high	6 Å²	6	73.2 Å²	73.2	4%	0.039	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-63.9	134.4	179.1	-23.3	34.3	0	0	0	112	I243 L248 K252 L447	I243-P254 HydrophobicContact CB-CB 4.24Å; I243-P254 HydrophobicContact CG2-CB 3.96Å; L248-P254 HydrophobicContact CD1-CB 4.37Å; L248-P254 HydrophobicContact CD1-CG 4.18Å; K252-P254 WeakPolarHBondContact O-CD 3.42Å; P254-L447 HydrophobicContact CB-CD2 3.88Å; P254-L447 HydrophobicContact CG-CD2 3.61Å
255	I	98.1	Very high	96	Very high	85 Å²	85	72.8 Å²	72.8	44%	0.436	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-84	130	-179	-63	167.1	0	0	0	109.2	I243 R244 L247	I243-I255 CarbonylContact C-O 3.59Å; I243-I255 VanDerWaalsContact CA-O 3.27Å; I243-I255 WeakPolarHBondContact CA-O 3.37Å; I243-I255 WeakPolarHBondContact CB-O 3.47Å; R244-I255 HydrophobicContact CB-CB 4.29Å; R244-I255 HydrophobicContact CG-CB 4.34Å; R244-I255 HydrophobicContact CG-CG2 4.11Å; R244-I255 PolarHBondContact N-O 2.84Å; L247-I255 HydrophobicContact CB-CD1 4.22Å; L247-I255 HydrophobicContact CD1-CD1 3.68Å
256	P	98.4	Very high	95.9	Very high	23 Å²	23	72.6 Å²	72.6	15%	0.149	38%	0.382	C	S	.	.	B	Isolated β-bridge	trans	-55	149.9	175.7	-27.6	35.8	0	0	0	113.9	L361 T363	P256-L361 WeakPolarHBondContact CB-O 3.36Å; P256-L361 HydrophobicContact CG-CD2 4.46Å; P256-L361 WeakPolarHBondContact CG-O 3.39Å; P256-T363 HydrophobicContact CB-CG2 4.1Å; P256-T363 WeakPolarHBondContact CB-OG1 3.4Å
257	Y	97.8	Very high	95.9	Very high	116 Å²	116	72.5 Å²	72.5	46%	0.455	38%	0.381	S	S	.	.	S	Bend	trans	-140	127	172.7	-175.5	-108.5	0	0	0	111.4	M242 I243 R244 K364	M242-Y257 PolarHBondContact O-N 3.06Å; I243-Y257 VanDerWaalsContact C-CB 3.41Å; R244-Y257 VanDerWaalsContact CD-CD2 3.41Å; R244-Y257 HydrophobicContact CG-CD2 4.22Å; Y257-K364 WeakPolarHBondContact O-CB 3.25Å; Y257-K364 WeakPolarHBondContact O-CE 3.2Å
258	P	98	Very high	95.9	Very high	21 Å²	21	72.4 Å²	72.4	14%	0.136	38%	0.383	C	S	.	.	S	Bend	cis	-68.7	174.1	3.9	28.6	-33.7	0	0	0	114	T260 L262 T363	P258-T260 VanDerWaalsContact C-N 3.28Å; P258-T260 PolarHBondContact O-N 3.36Å; P258-L262 HydrophobicContact CG-CD1 3.69Å; P258-L262 HydrophobicContact CG-CG 3.74Å; P258-T363 WeakPolarHBondContact O-CB 3.34Å; P258-T363 PolarHBondContact O-OG1 3.03Å
259	A	96.1	Very high	96	Very high	92 Å²	92	73 Å²	73	76%	0.76	39%	0.385	S	S	*	.	S	Bend	trans	-74.8	-17.3	-177.8	0	0	0	0	0	113.8
260	T	96.2	Very high	96.3	Very high	97 Å²	97	66 Å²	66	60%	0.595	36%	0.359	S	S	*	.	S	Bend	trans	-122.1	144.8	-179.7	51.8	0	0	0	0	109.6	P258 L262	P258-T260 VanDerWaalsContact C-N 3.28Å; P258-T260 PolarHBondContact O-N 3.36Å; T260-L262 PolarHBondContact O-N 3.24Å
261	F	97.8	Very high	96.7	Very high	54 Å²	54	62.4 Å²	62.4	24%	0.237	34%	0.339	C	S	.	.			trans	-57.3	121.2	175.3	-173.1	-115.2	0	0	0	111.9	D263 M272 S359 C362	F261-D263 HydrophobicContact CD1-CB 4.09Å; F261-D263 HydrophobicContact CE1-CB 3.58Å; F261-D263 HydrophobicContact CZ-CB 4.35Å; F261-M272 HydrophobicContact CZ-CB 4.38Å; F261-S359 WeakPolarHBondContact CB-O 3.17Å; F261-C362 WeakPolarHBondContact CD2-O 3.45Å; F261-C362 WeakPolarHBondContact CE2-O 3.27Å
262	L	97.6	Very high	97.2	Very high	93 Å²	93	58 Å²	58	49%	0.487	31%	0.309	S	S	.	.			trans	-100	109.9	166.6	-64.2	-173.6	0	0	0	108.5	P258 T260 T363 P365	P258-L262 HydrophobicContact CG-CD1 3.69Å; P258-L262 HydrophobicContact CG-CG 3.74Å; T260-L262 PolarHBondContact O-N 3.24Å; L262-T363 PolarHBondContact N-O 2.95Å; L262-P365 HydrophobicContact CB-CG 4.5Å
263	D	96.4	Very high	97.3	Very high	56 Å²	56	52.1 Å²	52.1	30%	0.299	28%	0.283	S	S	.	.			trans	-80	140.2	-178.8	-166.4	9.8	0	0	0	111.6	F261 S275 N276	F261-D263 HydrophobicContact CD1-CB 4.09Å; F261-D263 HydrophobicContact CE1-CB 3.58Å; F261-D263 HydrophobicContact CZ-CB 4.35Å; D263-S275 VanDerWaalsContact CG-OG 3.28Å; D263-S275 WeakPolarHBondContact OD1-CA 3.24Å; D263-S275 WeakPolarHBondContact OD1-CB 3.47Å; D263-S275 PolarHBondContact OD1-OG 2.88Å; D263-S275 PolarHBondContact OD2-OG 3.41Å; D263-N276 WeakPolarHBondContact OD2-CB 3.04Å; D263-N276 PolarHBondContact OD2-N 2.95Å; D263-N276 PolarHBondContact OD2-ND2 2.96Å
264	T	96.3	Very high	97.4	Very high	34 Å²	34	50.1 Å²	50.1	21%	0.209	27%	0.271	C	S	.	.			trans	-142.3	139.4	174.6	47.4	0	0	0	0	110.1	P365	T264-P365 HydrophobicContact CG2-CB 3.88Å; T264-P365 HydrophobicContact CG2-CG 3.38Å; T264-P365 WeakPolarHBondContact OG1-CB 3.44Å
265	W	97.1	Very high	97.4	Very high	79 Å²	79	49.9 Å²	49.9	30%	0.299	27%	0.27	S	S	.	.			trans	-141.9	59.9	179.3	-167.1	-92.2	0	0	0	111.1	K271 G277 N278 P397	W265-K271 HydrophobicContact CD2-CB 4.37Å; W265-K271 HydrophobicContact CD2-CD 3.96Å; W265-K271 HydrophobicContact CD2-CG 3.92Å; W265-K271 HydrophobicContact CE3-CB 3.78Å; W265-K271 HydrophobicContact CE3-CD 4.23Å; W265-K271 HydrophobicContact CE3-CG 3.79Å; W265-K271 HydrophobicContact CH2-CB 4.05Å; W265-K271 HydrophobicContact CH2-CD 4.32Å; W265-K271 HydrophobicContact CH2-CG 4.45Å; W265-K271 HydrophobicContact CZ2-CD 4.01Å; W265-K271 HydrophobicContact CZ3-CB 3.61Å; W265-K271 HydrophobicContact CZ3-CD 4.42Å; W265-K271 HydrophobicContact CZ3-CG 4.08Å; W265-G277 WeakPolarHBondContact CZ2-O 3.31Å; W265-N278 HydrophobicContact CH2-CB 3.81Å; W265-N278 HydrophobicContact CZ3-CB 3.8Å; W265-P397 HydrophobicContact CH2-CB 3.95Å; W265-P397 HydrophobicContact CH2-CG 3.56Å; W265-P397 HydrophobicContact CZ3-CG 3.83Å
266	D	96.2	Very high	97.2	Very high	51 Å²	51	51.8 Å²	51.8	27%	0.273	28%	0.281	S	S	.	.	S	Bend	trans	-114.9	-171.8	179.9	57.3	51.2	0	0	0	111	V268 H269 K271	D266-V268 HydrophobicContact CB-CG2 4.38Å; D266-V268 WeakPolarHBondContact OD1-CG2 3.44Å; D266-V268 PolarHBondContact OD1-N 2.92Å; D266-H269 VanDerWaalsContact CG-ND1 3.35Å; D266-H269 IonicContact OD1-CG 3.48Å; D266-H269 PolarHBondContact OD1-N 3.4Å; D266-H269 IonicContact OD1-ND1 3.16Å; D266-H269 PolarHBondContact OD1-ND1 3.17Å; D266-H269 VanDerWaalsContact OD1-ND1 3.13Å; D266-H269 IonicContact OD2-CE1 3.93Å; D266-H269 IonicContact OD2-CG 2.94Å; D266-H269 IonicContact OD2-ND1 3.16Å; D266-H269 PolarHBondContact OD2-ND1 2.73Å; D266-K271 WeakPolarHBondContact O-CE 3.41Å; D266-K271 PolarHBondContact O-NZ 3.01Å
267	D	95.4	Very high	97.1	Very high	96 Å²	96	51.8 Å²	51.8	51%	0.513	29%	0.285	S	S	.	.	S	Bend	trans	-94	0.2	178.6	77.3	-59.7	0	0	0	113.7	L368 K370	D267-L368 WeakPolarHBondContact O-CD1 3.42Å; D267-K370 WeakPolarHBondContact O-CE 3.33Å; D267-K370 PolarHBondContact O-NZ 3.1Å; D267-K370 IonicContact OD2-NZ 3.07Å; D267-K370 PolarHBondContact OD2-NZ 2.59Å
268	V	96.6	Very high	97	Very high	64 Å²	64	46.4 Å²	46.4	39%	0.388	26%	0.264	S	S	.	.	S	Bend	trans	-108.1	-14.4	-177.5	-71.5	0	0	0	0	113.5	D266 L368	D266-V268 HydrophobicContact CB-CG2 4.38Å; D266-V268 WeakPolarHBondContact OD1-CG2 3.44Å; D266-V268 PolarHBondContact OD1-N 2.92Å; V268-L368 WeakPolarHBondContact O-CB 3.34Å; V268-L368 WeakPolarHBondContact O-CG 3.37Å; V268-L368 PolarHBondContact O-N 3.47Å
269	H	98.3	Very high	96.8	Very high	47 Å²	47	48.5 Å²	48.5	22%	0.218	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-113.2	164.6	174.7	-60.5	101.9	0	0	0	113.2	D266 K271 P365 I366 Y406	D266-H269 VanDerWaalsContact CG-ND1 3.35Å; D266-H269 IonicContact OD1-CG 3.48Å; D266-H269 PolarHBondContact OD1-N 3.4Å; D266-H269 IonicContact OD1-ND1 3.16Å; D266-H269 PolarHBondContact OD1-ND1 3.17Å; D266-H269 VanDerWaalsContact OD1-ND1 3.13Å; D266-H269 IonicContact OD2-CE1 3.93Å; D266-H269 IonicContact OD2-CG 2.94Å; D266-H269 IonicContact OD2-ND1 3.16Å; D266-H269 PolarHBondContact OD2-ND1 2.73Å; H269-K271 PolarHBondContact O-N 3.21Å; H269-P365 HydrophobicContact CB-CB 4.4Å; H269-P365 VanDerWaalsContact CD2-CB 3.42Å; H269-P365 WeakPolarHBondContact CD2-CB 3.4Å; H269-I366 CarbonylContact C-O 3.1Å; H269-I366 VanDerWaalsContact CA-O 3.3Å; H269-I366 WeakPolarHBondContact CA-O 3.42Å; H269-Y406 PolarHBondContact O-OH 2.94Å
270	V	98.3	Very high	96.5	Very high	3 Å²	3	46.1 Å²	46.1	2%	0.018	25%	0.247	C	C	.	.			trans	-66.8	122.4	168.7	175.6	0	0	0	0	109.6	M272 I366 L368 F396 L523 F524	V270-M272 HydrophobicContact CG1-SD 3.99Å; V270-M272 PolarHBondContact O-N 3.49Å; V270-I366 HydrophobicContact CB-CB 4.06Å; V270-I366 HydrophobicContact CG2-CB 3.77Å; V270-I366 HydrophobicContact CG2-CG2 3.79Å; V270-I366 PolarHBondContact N-O 2.91Å; V270-L368 HydrophobicContact CG2-CD2 3.77Å; V270-F396 HydrophobicContact CG1-CE1 4.42Å; V270-L523 HydrophobicContact CG1-CD1 3.74Å; V270-L523 HydrophobicContact CG1-CD2 3.99Å; V270-L523 HydrophobicContact CG1-CG 3.79Å; V270-L523 HydrophobicContact CG2-CD2 4.46Å; V270-L523 HydrophobicContact CG2-CG 4Å; V270-F524 HydrophobicContact CG2-CB 3.87Å
271	K	97.9	Very high	95.9	Very high	19 Å²	19	46.7 Å²	46.7	8%	0.083	25%	0.252	C	S	.	.			trans	-71.4	92.5	171	-74	179.8	-170.7	180	0	110.7	W265 D266 H269 P397 E405 Y406	W265-K271 HydrophobicContact CD2-CB 4.37Å; W265-K271 HydrophobicContact CD2-CD 3.96Å; W265-K271 HydrophobicContact CD2-CG 3.92Å; W265-K271 HydrophobicContact CE3-CB 3.78Å; W265-K271 HydrophobicContact CE3-CD 4.23Å; W265-K271 HydrophobicContact CE3-CG 3.79Å; W265-K271 HydrophobicContact CH2-CB 4.05Å; W265-K271 HydrophobicContact CH2-CD 4.32Å; W265-K271 HydrophobicContact CH2-CG 4.45Å; W265-K271 HydrophobicContact CZ2-CD 4.01Å; W265-K271 HydrophobicContact CZ3-CB 3.61Å; W265-K271 HydrophobicContact CZ3-CD 4.42Å; W265-K271 HydrophobicContact CZ3-CG 4.08Å; D266-K271 WeakPolarHBondContact O-CE 3.41Å; D266-K271 PolarHBondContact O-NZ 3.01Å; H269-K271 PolarHBondContact O-N 3.21Å; K271-P397 HydrophobicContact CB-CG 4.33Å; K271-P397 WeakPolarHBondContact O-CD 3.26Å; K271-P397 WeakPolarHBondContact O-CG 3.5Å; K271-E405 IonicContact NZ-OE1 4Å; K271-E405 PolarHBondContact NZ-OE1 3.38Å; K271-E405 IonicContact NZ-OE2 2.79Å; K271-E405 PolarHBondContact NZ-OE2 3.12Å; K271-Y406 HydrophobicContact CD-CE2 4.35Å; K271-Y406 WeakPolarHBondContact CG-OH 3.47Å; K271-Y406 PolarHBondContact N-OH 2.81Å
272	M	98.4	Very high	95.3	Very high	5 Å²	5	46 Å²	46	3%	0.025	25%	0.252	C	S	.	.			trans	-64	144.2	-176.3	-69.8	-63.4	-76	0	0	112.1	F261 V270 C274 S275 C362 I366 L387	F261-M272 HydrophobicContact CZ-CB 4.38Å; V270-M272 HydrophobicContact CG1-SD 3.99Å; V270-M272 PolarHBondContact O-N 3.49Å; M272-C274 PolarHBondContact O-N 2.95Å; M272-S275 VanDerWaalsContact O-CB 3.29Å; M272-S275 WeakPolarHBondContact O-CB 3.3Å; M272-S275 PolarHBondContact O-N 3.32Å; M272-C362 HydrophobicContact CE-CB 3.64Å; M272-I366 HydrophobicContact SD-CD1 4.13Å; M272-L387 HydrophobicContact CE-CD2 3.92Å; M272-L387 HydrophobicContact SD-CD2 4.17Å
273	P	97.9	Very high	94.6	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-27.6	179.4	28	-34.6	0	0	0	112.4	S275 N278 W290 N390 F396	P273-S275 VanDerWaalsContact C-N 3.34Å; P273-N278 PolarHBondContact O-ND2 2.69Å; P273-W290 HydrophobicContact CB-CE3 4.05Å; P273-W290 HydrophobicContact CB-CZ3 3.88Å; P273-W290 HydrophobicContact CG-CZ3 4.04Å; P273-N390 WeakPolarHBondContact CG-OD1 3.35Å; P273-F396 HydrophobicContact CG-CE1 4.44Å
274	C	97.8	Very high	93.8	Very high	11 Å²	11	54.6 Å²	54.6	7%	0.074	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	5.4	176.5	55.4	0	0	0	0	115.4	M272 W290 A358	M272-C274 PolarHBondContact O-N 2.95Å; C274-W290 VanDerWaalsContact CA-CD2 3.45Å; C274-W290 HydrophobicContact CB-CD2 3.66Å; C274-W290 VanDerWaalsContact CB-CE2 3.48Å; C274-W290 HydrophobicContact CB-CE3 4.11Å; C274-W290 HydrophobicContact CB-CG 4.04Å; C274-W290 HydrophobicContact CB-CH2 4.27Å; C274-W290 HydrophobicContact CB-CZ2 3.83Å; C274-W290 HydrophobicContact CB-CZ3 4.4Å; C274-A358 HydrophobicContact CB-CB 4.33Å
275	S	97.9	Very high	93.3	Very high	1 Å²	1	59 Å²	59	1%	0.007	32%	0.317	C	S	.	.			trans	-70	143.3	177.3	-179	0	0	0	0	112.4	D263 M272 P273 G277 N278	D263-S275 VanDerWaalsContact CG-OG 3.28Å; D263-S275 WeakPolarHBondContact OD1-CA 3.24Å; D263-S275 WeakPolarHBondContact OD1-CB 3.47Å; D263-S275 PolarHBondContact OD1-OG 2.88Å; D263-S275 PolarHBondContact OD2-OG 3.41Å; M272-S275 VanDerWaalsContact O-CB 3.29Å; M272-S275 WeakPolarHBondContact O-CB 3.3Å; M272-S275 PolarHBondContact O-N 3.32Å; P273-S275 VanDerWaalsContact C-N 3.34Å; S275-G277 PolarHBondContact O-N 2.74Å; S275-G277 PolarHBondContact OG-N 3.09Å; S275-G277 VanDerWaalsContact OG-N 3.09Å; S275-N278 VanDerWaalsContact O-CB 3.29Å; S275-N278 WeakPolarHBondContact O-CB 3.39Å; S275-N278 PolarHBondContact O-N 3.01Å
276	N	95.5	Very high	92.9	Very high	125 Å²	125	63 Å²	63	67%	0.668	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-21.5	169.8	-61.1	-71.3	0	0	0	112	D263 N278 L279	D263-N276 WeakPolarHBondContact OD2-CB 3.04Å; D263-N276 PolarHBondContact OD2-N 2.95Å; D263-N276 PolarHBondContact OD2-ND2 2.96Å; N276-N278 VanDerWaalsContact C-N 3.26Å; N276-N278 PolarHBondContact O-N 2.81Å; N276-L279 WeakPolarHBondContact O-CD2 3.24Å
277	G	95.2	Very high	92.7	Very high	24 Å²	24	65 Å²	65	25%	0.247	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-14.6	172	0	0	0	0	0	114.2	W265 S275 L279	W265-G277 WeakPolarHBondContact CZ2-O 3.31Å; S275-G277 PolarHBondContact O-N 2.74Å; S275-G277 PolarHBondContact OG-N 3.09Å; S275-G277 VanDerWaalsContact OG-N 3.09Å; G277-L279 VanDerWaalsContact C-N 3.29Å; G277-L279 PolarHBondContact O-N 3.48Å
278	N	96	Very high	92.7	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.016	33%	0.327	C	S	.	.			trans	-80.5	72.2	-178.9	-170.5	14.3	0	0	0	112	W265 P273 S275 N276 R289 P397	W265-N278 HydrophobicContact CH2-CB 3.81Å; W265-N278 HydrophobicContact CZ3-CB 3.8Å; P273-N278 PolarHBondContact O-ND2 2.69Å; S275-N278 VanDerWaalsContact O-CB 3.29Å; S275-N278 WeakPolarHBondContact O-CB 3.39Å; S275-N278 PolarHBondContact O-N 3.01Å; N276-N278 VanDerWaalsContact C-N 3.26Å; N276-N278 PolarHBondContact O-N 2.81Å; N278-R289 WeakPolarHBondContact O-CB 3.46Å; N278-R289 PolarHBondContact O-N 3.19Å; N278-R289 WeakPolarHBondContact OD1-CD 3.49Å; N278-R289 PolarHBondContact OD1-NE 3.18Å; N278-P397 WeakPolarHBondContact OD1-CB 3.48Å
279	L	94.1	Very high	92.7	Very high	65 Å²	65	61.1 Å²	61.1	34%	0.34	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	158.9	-177.9	-57.6	176.1	0	0	0	112.8	N276 G277 K286 K287 R289	N276-L279 WeakPolarHBondContact O-CD2 3.24Å; G277-L279 VanDerWaalsContact C-N 3.29Å; G277-L279 PolarHBondContact O-N 3.48Å; L279-K286 HydrophobicContact CB-CB 4.28Å; L279-K286 HydrophobicContact CD1-CB 4.04Å; L279-K286 HydrophobicContact CD1-CD 4.04Å; L279-K287 WeakPolarHBondContact CA-O 3.39Å; L279-R289 PolarHBondContact O-NH2 2.92Å
280	F	88.6	Confident	92.7	Very high	42 Å²	42	60.1 Å²	60.1	18%	0.184	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	147.8	167.2	74.7	-74.3	0	0	0	111.2	V282 K286 K287 S288 R289 L292	F280-V282 HydrophobicContact CD2-CG2 3.65Å; F280-V282 HydrophobicContact CE2-CG2 3.14Å; F280-V282 HydrophobicContact CZ-CG2 3.68Å; F280-K286 WeakPolarHBondContact O-CA 3.24Å; F280-K287 HydrophobicContact CD1-CB 4.31Å; F280-K287 WeakPolarHBondContact CD1-O 3.24Å; F280-K287 HydrophobicContact CE1-CB 3.73Å; F280-K287 HydrophobicContact CZ-CB 4.05Å; F280-K287 PolarHBondContact N-O 3.34Å; F280-K287 PolarHBondContact O-N 2.77Å; F280-S288 WeakPolarHBondContact CE1-O 3.49Å; F280-R289 HydrophobicContact CD1-CB 3.94Å; F280-R289 HydrophobicContact CD1-CG 4.37Å; F280-L292 HydrophobicContact CE1-CB 4Å; F280-L292 HydrophobicContact CE1-CD2 3.98Å; F280-L292 HydrophobicContact CE2-CD2 3.92Å; F280-L292 HydrophobicContact CZ-CB 4.17Å; F280-L292 HydrophobicContact CZ-CD2 3.63Å; F280-L292 HydrophobicContact CZ-CG 4.35Å
281	P	85.3	Confident	92.6	Very high	108 Å²	108	64.8 Å²	64.8	70%	0.701	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	135	178	30.9	-33.3	0	0	0	110.7	E285	P281-E285 WeakPolarHBondContact CA-O 3.33Å
282	V	83.8	Confident	92.5	Very high	40 Å²	40	65.1 Å²	65.1	24%	0.242	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	109.8	168.6	-178.6	0	0	0	0	106.2	F280 D284 E285 K287	F280-V282 HydrophobicContact CD2-CG2 3.65Å; F280-V282 HydrophobicContact CE2-CG2 3.14Å; F280-V282 HydrophobicContact CZ-CG2 3.68Å; V282-D284 PolarHBondContact O-N 2.87Å; V282-E285 PolarHBondContact N-O 2.54Å; V282-E285 PolarHBondContact O-N 2.85Å; V282-K287 HydrophobicContact CB-CD 4.05Å; V282-K287 HydrophobicContact CB-CG 4.33Å; V282-K287 HydrophobicContact CG1-CD 4.38Å; V282-K287 HydrophobicContact CG2-CB 4.34Å; V282-K287 HydrophobicContact CG2-CD 4Å; V282-K287 HydrophobicContact CG2-CG 4.21Å
283	D	83.3	Confident	92.5	Very high	156 Å²	156	64.9 Å²	64.9	83%	0.834	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	-125.6	-169.2	-50.2	-49.5	0	0	0	110.6
284	D	79.1	Confident	92.4	Very high	174 Å²	174	67.1 Å²	67.1	93%	0.93	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-2.3	176.4	-68.2	-48.7	0	0	0	113.9	V282	V282-D284 PolarHBondContact O-N 2.87Å
285	E	86.9	Confident	92.4	Very high	125 Å²	125	72.1 Å²	72.1	58%	0.584	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102	161.7	-177.5	-67.8	-171.2	159.8	0	0	113.5	P281 V282 K287	P281-E285 WeakPolarHBondContact CA-O 3.33Å; V282-E285 PolarHBondContact N-O 2.54Å; V282-E285 PolarHBondContact O-N 2.85Å; E285-K287 WeakPolarHBondContact OE2-CE 3.27Å; E285-K287 IonicContact OE2-NZ 2.76Å
286	K	88.7	Confident	92.3	Very high	165 Å²	165	72.4 Å²	72.4	72%	0.717	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.4	170.4	-67.5	177	-174.9	168.3	0	109.5	L279 F280	L279-K286 HydrophobicContact CB-CB 4.28Å; L279-K286 HydrophobicContact CD1-CB 4.04Å; L279-K286 HydrophobicContact CD1-CD 4.04Å; F280-K286 WeakPolarHBondContact O-CA 3.24Å
287	K	92.4	Very high	92.3	Very high	92 Å²	92	66.6 Å²	66.6	40%	0.4	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	154.2	179.1	-60.8	-170.6	-178	178.6	0	111.3	L279 F280 V282 E285 R289	L279-K287 WeakPolarHBondContact CA-O 3.39Å; F280-K287 HydrophobicContact CD1-CB 4.31Å; F280-K287 WeakPolarHBondContact CD1-O 3.24Å; F280-K287 HydrophobicContact CE1-CB 3.73Å; F280-K287 HydrophobicContact CZ-CB 4.05Å; F280-K287 PolarHBondContact N-O 3.34Å; F280-K287 PolarHBondContact O-N 2.77Å; V282-K287 HydrophobicContact CB-CD 4.05Å; V282-K287 HydrophobicContact CB-CG 4.33Å; V282-K287 HydrophobicContact CG1-CD 4.38Å; V282-K287 HydrophobicContact CG2-CB 4.34Å; V282-K287 HydrophobicContact CG2-CD 4Å; V282-K287 HydrophobicContact CG2-CG 4.21Å; E285-K287 WeakPolarHBondContact OE2-CE 3.27Å; E285-K287 IonicContact OE2-NZ 2.76Å; K287-R289 PolarHBondContact O-N 3.1Å
288	S	95.5	Very high	92.2	Very high	27 Å²	27	70.7 Å²	70.7	19%	0.189	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	118.6	176.4	170.3	0	0	0	0	110.1	F280 W290 D291 L292	F280-S288 WeakPolarHBondContact CE1-O 3.49Å; S288-W290 PolarHBondContact O-N 3.48Å; S288-W290 PolarHBondContact OG-N 3.5Å; S288-D291 VanDerWaalsContact CB-OD1 3.31Å; S288-D291 WeakPolarHBondContact CB-OD1 3.42Å; S288-D291 VanDerWaalsContact CB-OD2 3.3Å; S288-D291 WeakPolarHBondContact CB-OD2 3.44Å; S288-D291 PolarHBondContact O-N 3.24Å; S288-D291 PolarHBondContact OG-N 2.67Å; S288-D291 VanDerWaalsContact OG-N 3.15Å; S288-D291 PolarHBondContact OG-OD1 3.22Å; S288-L292 PolarHBondContact O-N 2.77Å
289	R	95.9	Very high	92.1	Very high	52 Å²	52	75.5 Å²	75.5	20%	0.196	38%	0.38	C	S	.	.	H	α-helix	trans	-70.6	-26.2	173.7	-164.9	-169.1	-54.5	-96.8	-12.5	110.8	N278 L279 F280 K287 L292 I293 Y314	N278-R289 WeakPolarHBondContact O-CB 3.46Å; N278-R289 PolarHBondContact O-N 3.19Å; N278-R289 WeakPolarHBondContact OD1-CD 3.49Å; N278-R289 PolarHBondContact OD1-NE 3.18Å; L279-R289 PolarHBondContact O-NH2 2.92Å; F280-R289 HydrophobicContact CD1-CB 3.94Å; F280-R289 HydrophobicContact CD1-CG 4.37Å; K287-R289 PolarHBondContact O-N 3.1Å; R289-L292 PolarHBondContact O-N 3.2Å; R289-I293 HydrophobicContact CG-CD1 4.08Å; R289-I293 HydrophobicContact CG-CG1 4.48Å; R289-I293 WeakPolarHBondContact O-CB 3.41Å; R289-I293 WeakPolarHBondContact O-CD1 3.46Å; R289-I293 WeakPolarHBondContact O-CG1 3.47Å; R289-I293 PolarHBondContact O-N 2.7Å; R289-Y314 PolarHBondContact NH1-O 2.94Å
290	W	97.4	Very high	92.1	Very high	25 Å²	25	78.8 Å²	78.8	10%	0.095	39%	0.392	C	S	.	.	H	α-helix	trans	-65.3	-42.2	176	-170.8	-123.5	0	0	0	111.3	P273 C274 S288 L292 I293 N294 L356 A358	P273-W290 HydrophobicContact CB-CE3 4.05Å; P273-W290 HydrophobicContact CB-CZ3 3.88Å; P273-W290 HydrophobicContact CG-CZ3 4.04Å; C274-W290 VanDerWaalsContact CA-CD2 3.45Å; C274-W290 HydrophobicContact CB-CD2 3.66Å; C274-W290 VanDerWaalsContact CB-CE2 3.48Å; C274-W290 HydrophobicContact CB-CE3 4.11Å; C274-W290 HydrophobicContact CB-CG 4.04Å; C274-W290 HydrophobicContact CB-CH2 4.27Å; C274-W290 HydrophobicContact CB-CZ2 3.83Å; C274-W290 HydrophobicContact CB-CZ3 4.4Å; S288-W290 PolarHBondContact O-N 3.48Å; S288-W290 PolarHBondContact OG-N 3.5Å; W290-L292 VanDerWaalsContact C-N 3.3Å; W290-L292 PolarHBondContact O-N 3.45Å; W290-I293 HydrophobicContact CE3-CB 4.12Å; W290-I293 HydrophobicContact CE3-CD1 4.07Å; W290-I293 HydrophobicContact CE3-CG2 3.99Å; W290-I293 HydrophobicContact CZ3-CB 4.46Å; W290-I293 HydrophobicContact CZ3-CG2 3.82Å; W290-I293 WeakPolarHBondContact O-CB 3.18Å; W290-I293 PolarHBondContact O-N 2.91Å; W290-N294 PolarHBondContact NE1-ND2 3.36Å; W290-N294 VanDerWaalsContact NE1-ND2 3.1Å; W290-N294 PolarHBondContact O-N 2.93Å; W290-N294 PolarHBondContact O-ND2 2.99Å; W290-L356 HydrophobicContact CH2-CD2 4.09Å; W290-L356 HydrophobicContact CZ2-CD2 4.38Å; W290-L356 WeakPolarHBondContact CZ2-O 3.17Å; W290-A358 HydrophobicContact CH2-CB 3.98Å; W290-A358 HydrophobicContact CZ2-CB 4.23Å
291	D	96.8	Very high	92.3	Very high	102 Å²	102	77.5 Å²	77.5	55%	0.545	39%	0.386	S	S	.	.	H	α-helix	trans	-61.4	-43.4	177.9	-55.6	7.6	0	0	0	110.1	S288 I293 N294 E295	S288-D291 VanDerWaalsContact CB-OD1 3.31Å; S288-D291 WeakPolarHBondContact CB-OD1 3.42Å; S288-D291 VanDerWaalsContact CB-OD2 3.3Å; S288-D291 WeakPolarHBondContact CB-OD2 3.44Å; S288-D291 PolarHBondContact O-N 3.24Å; S288-D291 PolarHBondContact OG-N 2.67Å; S288-D291 VanDerWaalsContact OG-N 3.15Å; S288-D291 PolarHBondContact OG-OD1 3.22Å; D291-I293 PolarHBondContact O-N 3.04Å; D291-N294 PolarHBondContact O-N 3.16Å; D291-E295 WeakPolarHBondContact O-CB 3.43Å; D291-E295 PolarHBondContact O-N 3.11Å
292	L	96.2	Very high	92.7	Very high	25 Å²	25	76.4 Å²	76.4	13%	0.131	38%	0.378	C	S	.	.	H	α-helix	trans	-61.2	-41.1	172.9	-177.8	67.2	0	0	0	112.3	F280 S288 R289 W290 T296 N313	F280-L292 HydrophobicContact CE1-CB 4Å; F280-L292 HydrophobicContact CE1-CD2 3.98Å; F280-L292 HydrophobicContact CE2-CD2 3.92Å; F280-L292 HydrophobicContact CZ-CB 4.17Å; F280-L292 HydrophobicContact CZ-CD2 3.63Å; F280-L292 HydrophobicContact CZ-CG 4.35Å; S288-L292 PolarHBondContact O-N 2.77Å; R289-L292 PolarHBondContact O-N 3.2Å; W290-L292 VanDerWaalsContact C-N 3.3Å; W290-L292 PolarHBondContact O-N 3.45Å; L292-T296 WeakPolarHBondContact O-CB 3.49Å; L292-T296 PolarHBondContact O-N 3.38Å; L292-T296 PolarHBondContact O-OG1 3.09Å; L292-N313 WeakPolarHBondContact CD1-ND2 3.41Å
293	I	97.4	Very high	93.2	Very high	0 Å²	0	77.1 Å²	77.1	0%	0	38%	0.38	C	S	.	.	H	α-helix	trans	-63.9	-47.4	177.2	-73	160	0	0	0	110.4	R289 W290 D291 T296 L297 Y314 L356 T395	R289-I293 HydrophobicContact CG-CD1 4.08Å; R289-I293 HydrophobicContact CG-CG1 4.48Å; R289-I293 WeakPolarHBondContact O-CB 3.41Å; R289-I293 WeakPolarHBondContact O-CD1 3.46Å; R289-I293 WeakPolarHBondContact O-CG1 3.47Å; R289-I293 PolarHBondContact O-N 2.7Å; W290-I293 HydrophobicContact CE3-CB 4.12Å; W290-I293 HydrophobicContact CE3-CD1 4.07Å; W290-I293 HydrophobicContact CE3-CG2 3.99Å; W290-I293 HydrophobicContact CZ3-CB 4.46Å; W290-I293 HydrophobicContact CZ3-CG2 3.82Å; W290-I293 WeakPolarHBondContact O-CB 3.18Å; W290-I293 PolarHBondContact O-N 2.91Å; D291-I293 PolarHBondContact O-N 3.04Å; I293-T296 PolarHBondContact O-N 3.06Å; I293-L297 HydrophobicContact CG2-CD1 3.76Å; I293-L297 HydrophobicContact CG2-CG 4.32Å; I293-L297 WeakPolarHBondContact O-CB 3.04Å; I293-L297 WeakPolarHBondContact O-CG 3.4Å; I293-L297 PolarHBondContact O-N 3.46Å; I293-Y314 HydrophobicContact CB-CD1 4.35Å; I293-Y314 HydrophobicContact CD1-CD2 4.47Å; I293-Y314 HydrophobicContact CD1-CG 4.43Å; I293-Y314 HydrophobicContact CG1-CD1 3.65Å; I293-Y314 HydrophobicContact CG1-CD2 3.96Å; I293-Y314 HydrophobicContact CG1-CE1 4.13Å; I293-Y314 HydrophobicContact CG1-CE2 4.4Å; I293-Y314 HydrophobicContact CG1-CG 3.54Å; I293-L356 HydrophobicContact CG2-CD2 4.16Å; I293-T395 HydrophobicContact CD1-CG2 4.34Å; I293-T395 HydrophobicContact CG2-CG2 3.99Å
294	N	97.1	Very high	93.7	Very high	47 Å²	47	69.9 Å²	69.9	25%	0.251	34%	0.341	S	S	.	.	H	α-helix	trans	-58.3	-56.3	176.1	-71.4	-71.1	0	0	0	110.9	W290 D291 T296 L297 D298 L356	W290-N294 PolarHBondContact NE1-ND2 3.36Å; W290-N294 VanDerWaalsContact NE1-ND2 3.1Å; W290-N294 PolarHBondContact O-N 2.93Å; W290-N294 PolarHBondContact O-ND2 2.99Å; D291-N294 PolarHBondContact O-N 3.16Å; N294-T296 PolarHBondContact O-N 2.79Å; N294-T296 VanDerWaalsContact O-N 3.13Å; N294-L297 PolarHBondContact O-N 3.31Å; N294-D298 VanDerWaalsContact O-CB 3.27Å; N294-D298 WeakPolarHBondContact O-CB 3.46Å; N294-D298 PolarHBondContact O-N 3.2Å; N294-L356 WeakPolarHBondContact OD1-CD2 3.29Å
295	E	96.3	Very high	94.4	Very high	117 Å²	117	67.5 Å²	67.5	55%	0.547	32%	0.323	S	S	.	.	H	α-helix	trans	-61.6	-25.1	-178.7	-163.8	-130.2	121.8	0	0	112.8	D291 K299	D291-E295 WeakPolarHBondContact O-CB 3.43Å; D291-E295 PolarHBondContact O-N 3.11Å; E295-K299 WeakPolarHBondContact O-CD 3.29Å; E295-K299 WeakPolarHBondContact O-CE 3.35Å; E295-K299 PolarHBondContact O-NZ 3.09Å; E295-K299 IonicContact OE1-NZ 3.44Å; E295-K299 PolarHBondContact OE1-NZ 3.43Å
296	T	96.3	Very high	94.8	Very high	6 Å²	6	64.7 Å²	64.7	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-85.3	-41.5	177.9	-60.5	0	0	0	0	112.7	L292 I293 N294 A310 N313 Y314	L292-T296 WeakPolarHBondContact O-CB 3.49Å; L292-T296 PolarHBondContact O-N 3.38Å; L292-T296 PolarHBondContact O-OG1 3.09Å; I293-T296 PolarHBondContact O-N 3.06Å; N294-T296 PolarHBondContact O-N 2.79Å; N294-T296 VanDerWaalsContact O-N 3.13Å; T296-A310 VanDerWaalsContact CG2-CA 3.44Å; T296-A310 HydrophobicContact CG2-CB 3.6Å; T296-A310 WeakPolarHBondContact CG2-O 3.41Å; T296-N313 HydrophobicContact CG2-CB 4.09Å; T296-N313 PolarHBondContact OG1-ND2 2.98Å; T296-Y314 HydrophobicContact CG2-CD1 4.18Å; T296-Y314 HydrophobicContact CG2-CE1 4.04Å
297	L	96.6	Very high	95.1	Very high	3 Å²	3	57.1 Å²	57.1	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-83.9	-27.8	-175.6	-68.9	-176.9	0	0	0	113.7	I293 N294 K299 F301 Y314 V352 L356 F393 T395	I293-L297 HydrophobicContact CG2-CD1 3.76Å; I293-L297 HydrophobicContact CG2-CG 4.32Å; I293-L297 WeakPolarHBondContact O-CB 3.04Å; I293-L297 WeakPolarHBondContact O-CG 3.4Å; I293-L297 PolarHBondContact O-N 3.46Å; N294-L297 PolarHBondContact O-N 3.31Å; L297-K299 PolarHBondContact O-N 3.27Å; L297-K299 VanDerWaalsContact O-N 3.13Å; L297-F301 HydrophobicContact CD2-CE2 4.26Å; L297-F301 HydrophobicContact CD2-CZ 4.13Å; L297-Y314 HydrophobicContact CD2-CE1 4.28Å; L297-Y314 HydrophobicContact CG-CE1 4.23Å; L297-V352 HydrophobicContact CB-CG1 3.94Å; L297-V352 HydrophobicContact CB-CG2 4.27Å; L297-V352 WeakPolarHBondContact O-CG1 3.46Å; L297-L356 HydrophobicContact CB-CD2 4.33Å; L297-L356 HydrophobicContact CD1-CD2 4.15Å; L297-F393 HydrophobicContact CD1-CB 4.07Å; L297-F393 HydrophobicContact CD1-CD1 4.48Å; L297-F393 HydrophobicContact CD1-CD2 4.33Å; L297-F393 HydrophobicContact CD1-CG 4.05Å; L297-F393 HydrophobicContact CD2-CD1 3.87Å; L297-F393 HydrophobicContact CD2-CE1 4.34Å; L297-F393 HydrophobicContact CD2-CG 4.25Å; L297-T395 HydrophobicContact CD1-CG2 4.48Å
298	D	93.3	Very high	95.3	Very high	111 Å²	111	55.9 Å²	55.9	59%	0.594	27%	0.272	S	S	*	.	S	Bend	trans	-68.6	-6.5	176.9	-162.2	53.7	0	0	0	113.2	N294 Q353	N294-D298 VanDerWaalsContact O-CB 3.27Å; N294-D298 WeakPolarHBondContact O-CB 3.46Å; N294-D298 PolarHBondContact O-N 3.2Å; D298-Q353 PolarHBondContact OD1-NE2 3.41Å
299	K	94	Very high	95.2	Very high	103 Å²	103	59.7 Å²	59.7	45%	0.448	29%	0.287	S	S	.	.	S	Bend	trans	-79.5	134	173.7	-69.9	165.2	179.9	140.1	0	110.5	E295 L297 F301	E295-K299 WeakPolarHBondContact O-CD 3.29Å; E295-K299 WeakPolarHBondContact O-CE 3.35Å; E295-K299 PolarHBondContact O-NZ 3.09Å; E295-K299 IonicContact OE1-NZ 3.44Å; E295-K299 PolarHBondContact OE1-NZ 3.43Å; L297-K299 PolarHBondContact O-N 3.27Å; L297-K299 VanDerWaalsContact O-N 3.13Å; K299-F301 PolarHBondContact O-N 3.42Å
300	K	93.1	Very high	95.1	Very high	135 Å²	135	57.5 Å²	57.5	59%	0.587	28%	0.28	S	S	*	.	P	Polyproline II helix	trans	-64.3	127.6	175.3	-177.8	172.2	-178.7	174.7	0	111.4	D345	K300-D345 WeakPolarHBondContact CE-OD1 3.37Å; K300-D345 IonicContact NZ-OD1 2.61Å; K300-D345 PolarHBondContact NZ-OD1 2.93Å
301	F	93.8	Very high	95	Very high	15 Å²	15	56.4 Å²	56.4	7%	0.066	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-95.8	140.6	170.5	-51	-55.9	0	0	0	110.8	L297 K299 Q306 L307 A310 F344 L348 V352	L297-F301 HydrophobicContact CD2-CE2 4.26Å; L297-F301 HydrophobicContact CD2-CZ 4.13Å; K299-F301 PolarHBondContact O-N 3.42Å; F301-Q306 HydrophobicContact CD1-CB 4.02Å; F301-L307 HydrophobicContact CD2-CD1 4.31Å; F301-L307 HydrophobicContact CE2-CD1 4.26Å; F301-A310 HydrophobicContact CE1-CB 3.47Å; F301-A310 VanDerWaalsContact CE1-CB 3.47Å; F301-A310 HydrophobicContact CZ-CB 3.56Å; F301-F344 HydrophobicContact CB-CD1 4.05Å; F301-F344 HydrophobicContact CB-CE1 4.31Å; F301-L348 HydrophobicContact CB-CD2 4.1Å; F301-L348 HydrophobicContact CD2-CD2 3.77Å; F301-L348 HydrophobicContact CD2-CG 4.4Å; F301-L348 HydrophobicContact CG-CD2 4.35Å; F301-V352 HydrophobicContact CE2-CG2 4.31Å
302	T	93.1	Very high	94.8	Very high	85 Å²	85	52.6 Å²	52.6	52%	0.521	26%	0.255	S	S	.	.			trans	-116.7	-3.9	174.3	65.9	0	0	0	0	113.4	Q306	T302-Q306 PolarHBondContact OG1-OE1 3.22Å
303	N	93.6	Very high	94.6	Very high	54 Å²	54	55.2 Å²	55.2	29%	0.289	27%	0.269	S	S	.	.	S	Bend	trans	-164.2	167.4	-177.8	57.6	76.3	0	0	0	111.9	F305 Q306 L307 F344	N303-F305 VanDerWaalsContact C-N 3.29Å; N303-F305 PolarHBondContact O-N 3.25Å; N303-F305 WeakPolarHBondContact OD1-CB 3.14Å; N303-F305 PolarHBondContact OD1-N 3.27Å; N303-F305 VanDerWaalsContact OD1-N 3.13Å; N303-Q306 PolarHBondContact O-N 2.89Å; N303-Q306 PolarHBondContact OD1-N 3.19Å; N303-L307 PolarHBondContact O-N 3.01Å; N303-F344 VanDerWaalsContact C-CE1 3.43Å; N303-F344 WeakPolarHBondContact O-CE1 3.47Å
304	V	94.1	Very high	94.4	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.024	27%	0.271	C	S	.	.	H	α-helix	trans	-65.6	-29.1	-178.7	180	0	0	0	0	112.8	L307 K308 L327 D328 C331 F344	V304-L307 PolarHBondContact O-N 3.15Å; V304-K308 WeakPolarHBondContact O-CB 3.24Å; V304-K308 PolarHBondContact O-N 3.34Å; V304-L327 HydrophobicContact CG1-CB 4.22Å; V304-L327 HydrophobicContact CG1-CD2 4.13Å; V304-L327 HydrophobicContact CG1-CG 3.99Å; V304-L327 HydrophobicContact CG2-CG 4.3Å; V304-D328 HydrophobicContact CG1-CB 4.28Å; V304-C331 HydrophobicContact CG2-CB 3.68Å; V304-C331 WeakPolarHBondContact CG2-SG 3.27Å; V304-F344 HydrophobicContact CG2-CZ 3.92Å
305	F	94.4	Very high	93.9	Very high	125 Å²	125	53.5 Å²	53.5	55%	0.548	26%	0.26	S	S	.	.	H	α-helix	trans	-65.6	-45.7	178.4	176.3	-92.5	0	0	0	111.5	N303 L307 K308 E309	N303-F305 VanDerWaalsContact C-N 3.29Å; N303-F305 PolarHBondContact O-N 3.25Å; N303-F305 WeakPolarHBondContact OD1-CB 3.14Å; N303-F305 PolarHBondContact OD1-N 3.27Å; N303-F305 VanDerWaalsContact OD1-N 3.13Å; F305-L307 PolarHBondContact O-N 3.35Å; F305-K308 WeakPolarHBondContact O-CB 3.45Å; F305-K308 PolarHBondContact O-N 3.19Å; F305-E309 HydrophobicContact CD1-CG 4.36Å; F305-E309 HydrophobicContact CE1-CG 3.92Å; F305-E309 WeakPolarHBondContact CE1-OE1 3.34Å; F305-E309 WeakPolarHBondContact CE1-OE2 3.38Å; F305-E309 HydrophobicContact CE2-CG 4.49Å; F305-E309 VanDerWaalsContact CZ-CD 3.47Å; F305-E309 HydrophobicContact CZ-CG 3.98Å; F305-E309 VanDerWaalsContact CZ-OE1 3.31Å; F305-E309 WeakPolarHBondContact CZ-OE1 3.48Å; F305-E309 PolarHBondContact O-N 3.2Å
306	Q	95.7	Very high	93	Very high	66 Å²	66	51.2 Å²	51.2	31%	0.308	26%	0.261	S	S	.	.	H	α-helix	trans	-63.2	-41.5	175	-69.5	174.2	-8.6	0	0	112.5	F301 T302 N303 K308 E309 A310	F301-Q306 HydrophobicContact CD1-CB 4.02Å; T302-Q306 PolarHBondContact OG1-OE1 3.22Å; N303-Q306 PolarHBondContact O-N 2.89Å; N303-Q306 PolarHBondContact OD1-N 3.19Å; Q306-K308 VanDerWaalsContact C-N 3.32Å; Q306-K308 PolarHBondContact O-N 2.97Å; Q306-E309 PolarHBondContact O-N 2.75Å; Q306-A310 WeakPolarHBondContact O-CB 3.35Å; Q306-A310 PolarHBondContact O-N 2.88Å
307	L	94.9	Very high	92	Very high	6 Å²	6	55.6 Å²	55.6	3%	0.031	29%	0.292	C	S	.	.	H	α-helix	trans	-61.7	-39.9	174.2	174.6	60.5	0	0	0	111.7	F301 N303 V304 F305 A310 V311 L327 L348 F392 F393	F301-L307 HydrophobicContact CD2-CD1 4.31Å; F301-L307 HydrophobicContact CE2-CD1 4.26Å; N303-L307 PolarHBondContact O-N 3.01Å; V304-L307 PolarHBondContact O-N 3.15Å; F305-L307 PolarHBondContact O-N 3.35Å; L307-A310 PolarHBondContact O-N 3.3Å; L307-V311 HydrophobicContact CD1-CG2 4.23Å; L307-V311 WeakPolarHBondContact O-CG2 3.48Å; L307-V311 PolarHBondContact O-N 3.34Å; L307-L327 HydrophobicContact CD2-CD2 3.85Å; L307-L348 HydrophobicContact CD1-CD1 4.5Å; L307-L348 HydrophobicContact CD1-CD2 4.41Å; L307-L348 HydrophobicContact CD2-CD1 4.18Å; L307-L348 HydrophobicContact CD2-CD2 4.08Å; L307-F392 HydrophobicContact CD2-CE1 4.47Å; L307-F393 HydrophobicContact CD1-CD1 4.02Å; L307-F393 HydrophobicContact CD1-CE1 3.8Å
308	K	94.8	Very high	90.9	Very high	65 Å²	65	56.9 Å²	56.9	28%	0.283	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-49.7	173.8	176.6	-176.8	-174.8	177.6	0	111.2	V304 F305 Q306 A310 V311 L312 F324	V304-K308 WeakPolarHBondContact O-CB 3.24Å; V304-K308 PolarHBondContact O-N 3.34Å; F305-K308 WeakPolarHBondContact O-CB 3.45Å; F305-K308 PolarHBondContact O-N 3.19Å; Q306-K308 VanDerWaalsContact C-N 3.32Å; Q306-K308 PolarHBondContact O-N 2.97Å; K308-A310 VanDerWaalsContact C-N 3.28Å; K308-A310 PolarHBondContact O-N 2.68Å; K308-V311 PolarHBondContact O-N 2.76Å; K308-L312 HydrophobicContact CG-CD1 3.91Å; K308-L312 HydrophobicContact CG-CG 4.29Å; K308-L312 WeakPolarHBondContact O-CB 3.45Å; K308-L312 VanDerWaalsContact O-CG 3.23Å; K308-L312 WeakPolarHBondContact O-CG 3.47Å; K308-L312 PolarHBondContact O-N 3.27Å; K308-F324 HydrophobicContact CB-CD1 4Å; K308-F324 HydrophobicContact CB-CD2 4.31Å; K308-F324 HydrophobicContact CB-CE1 4.24Å; K308-F324 HydrophobicContact CB-CG 4.05Å; K308-F324 HydrophobicContact CD-CB 4.09Å; K308-F324 HydrophobicContact CD-CD2 3.98Å; K308-F324 HydrophobicContact CD-CG 4.08Å; K308-F324 HydrophobicContact CG-CB 4.43Å; K308-F324 HydrophobicContact CG-CD1 4.29Å; K308-F324 HydrophobicContact CG-CD2 3.7Å; K308-F324 HydrophobicContact CG-CE2 3.96Å; K308-F324 HydrophobicContact CG-CG 3.89Å; K308-F324 HydrophobicContact CG-CZ 4.37Å
309	E	94.1	Very high	89.7	Confident	108 Å²	108	53.6 Å²	53.6	51%	0.505	29%	0.286	S	S	.	.	H	α-helix	trans	-58.1	-42.6	177.6	-72	-170.1	129.6	0	0	111.6	F305 Q306 L312 N313	F305-E309 HydrophobicContact CD1-CG 4.36Å; F305-E309 HydrophobicContact CE1-CG 3.92Å; F305-E309 WeakPolarHBondContact CE1-OE1 3.34Å; F305-E309 WeakPolarHBondContact CE1-OE2 3.38Å; F305-E309 HydrophobicContact CE2-CG 4.49Å; F305-E309 VanDerWaalsContact CZ-CD 3.47Å; F305-E309 HydrophobicContact CZ-CG 3.98Å; F305-E309 VanDerWaalsContact CZ-OE1 3.31Å; F305-E309 WeakPolarHBondContact CZ-OE1 3.48Å; F305-E309 PolarHBondContact O-N 3.2Å; Q306-E309 PolarHBondContact O-N 2.75Å; E309-L312 PolarHBondContact O-N 3.22Å; E309-N313 PolarHBondContact O-N 3.11Å
310	A	94.6	Very high	88.5	Confident	6 Å²	6	60.8 Å²	60.8	5%	0.05	31%	0.311	C	S	.	.	H	α-helix	trans	-58	-54	174.7	0	0	0	0	0	112.7	T296 F301 Q306 L307 K308 L312 N313 Y314	T296-A310 VanDerWaalsContact CG2-CA 3.44Å; T296-A310 HydrophobicContact CG2-CB 3.6Å; T296-A310 WeakPolarHBondContact CG2-O 3.41Å; F301-A310 HydrophobicContact CE1-CB 3.47Å; F301-A310 VanDerWaalsContact CE1-CB 3.47Å; F301-A310 HydrophobicContact CZ-CB 3.56Å; Q306-A310 WeakPolarHBondContact O-CB 3.35Å; Q306-A310 PolarHBondContact O-N 2.88Å; L307-A310 PolarHBondContact O-N 3.3Å; K308-A310 VanDerWaalsContact C-N 3.28Å; K308-A310 PolarHBondContact O-N 2.68Å; A310-L312 PolarHBondContact O-N 2.82Å; A310-N313 WeakPolarHBondContact O-CB 3.15Å; A310-N313 PolarHBondContact O-N 3.43Å; A310-Y314 WeakPolarHBondContact O-CD1 3.47Å; A310-Y314 WeakPolarHBondContact O-CE1 3.3Å
311	V	94.6	Very high	87.9	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.012	32%	0.317	C	S	.	.	H	α-helix	trans	-61.5	-34.5	178.5	173.5	0	0	0	0	111.9	L307 K308 S315 W322 F324 C394	L307-V311 HydrophobicContact CD1-CG2 4.23Å; L307-V311 WeakPolarHBondContact O-CG2 3.48Å; L307-V311 PolarHBondContact O-N 3.34Å; K308-V311 PolarHBondContact O-N 2.76Å; V311-S315 WeakPolarHBondContact O-CB 3.14Å; V311-S315 PolarHBondContact O-OG 2.84Å; V311-W322 HydrophobicContact CG1-CE3 4.2Å; V311-W322 HydrophobicContact CG1-CZ3 3.85Å; V311-F324 HydrophobicContact CB-CZ 4.1Å; V311-F324 HydrophobicContact CG1-CZ 3.98Å; V311-C394 HydrophobicContact CG1-CB 4.01Å
312	L	92.8	Very high	87.8	Confident	22 Å²	22	62.2 Å²	62.2	12%	0.115	32%	0.316	C	S	.	.	H	α-helix	trans	-76.3	-23.7	178.6	-68.1	-173	0	0	0	113.9	K308 E309 A310 S315 A316 A319 W322	K308-L312 HydrophobicContact CG-CD1 3.91Å; K308-L312 HydrophobicContact CG-CG 4.29Å; K308-L312 WeakPolarHBondContact O-CB 3.45Å; K308-L312 VanDerWaalsContact O-CG 3.23Å; K308-L312 WeakPolarHBondContact O-CG 3.47Å; K308-L312 PolarHBondContact O-N 3.27Å; E309-L312 PolarHBondContact O-N 3.22Å; A310-L312 PolarHBondContact O-N 2.82Å; L312-S315 CarbonylContact O-C 3.48Å; L312-S315 VanDerWaalsContact O-C 3.3Å; L312-S315 PolarHBondContact O-N 3.17Å; L312-S315 VanDerWaalsContact O-N 3.17Å; L312-A316 VanDerWaalsContact O-CA 3.29Å; L312-A316 WeakPolarHBondContact O-CA 3.3Å; L312-A316 PolarHBondContact O-N 2.76Å; L312-A319 HydrophobicContact CB-CB 4.26Å; L312-A319 HydrophobicContact CD1-CB 4.12Å; L312-A319 HydrophobicContact CD2-CB 4.32Å; L312-A319 HydrophobicContact CG-CB 4.45Å; L312-W322 HydrophobicContact CD2-CB 4.19Å; L312-W322 HydrophobicContact CD2-CD2 4.38Å; L312-W322 HydrophobicContact CD2-CE3 3.79Å
313	N	92.3	Very high	87.8	Confident	80 Å²	80	60.7 Å²	60.7	43%	0.428	31%	0.305	S	S	.	.	H	α-helix	trans	-58	-57.4	179.9	-167.7	24.6	0	0	0	111.7	L292 T296 E309 A310 S315	L292-N313 WeakPolarHBondContact CD1-ND2 3.41Å; T296-N313 HydrophobicContact CG2-CB 4.09Å; T296-N313 PolarHBondContact OG1-ND2 2.98Å; E309-N313 PolarHBondContact O-N 3.11Å; A310-N313 WeakPolarHBondContact O-CB 3.15Å; A310-N313 PolarHBondContact O-N 3.43Å; N313-S315 PolarHBondContact O-N 2.68Å
314	Y	92.4	Very high	87.9	Confident	6 Å²	6	58.5 Å²	58.5	2%	0.024	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-3.3	175.9	48.2	-101	0	0	0	114.3	R289 I293 T296 L297 A310 F393 T395	R289-Y314 PolarHBondContact NH1-O 2.94Å; I293-Y314 HydrophobicContact CB-CD1 4.35Å; I293-Y314 HydrophobicContact CD1-CD2 4.47Å; I293-Y314 HydrophobicContact CD1-CG 4.43Å; I293-Y314 HydrophobicContact CG1-CD1 3.65Å; I293-Y314 HydrophobicContact CG1-CD2 3.96Å; I293-Y314 HydrophobicContact CG1-CE1 4.13Å; I293-Y314 HydrophobicContact CG1-CE2 4.4Å; I293-Y314 HydrophobicContact CG1-CG 3.54Å; T296-Y314 HydrophobicContact CG2-CD1 4.18Å; T296-Y314 HydrophobicContact CG2-CE1 4.04Å; L297-Y314 HydrophobicContact CD2-CE1 4.28Å; L297-Y314 HydrophobicContact CG-CE1 4.23Å; A310-Y314 WeakPolarHBondContact O-CD1 3.47Å; A310-Y314 WeakPolarHBondContact O-CE1 3.3Å; Y314-F393 WeakPolarHBondContact CE2-O 3.23Å; Y314-F393 PolarHBondContact OH-O 2.79Å; Y314-T395 HydrophobicContact CE2-CG2 4.31Å
315	S	87.8	Confident	88	Confident	4 Å²	4	61 Å²	61	3%	0.028	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114	16.3	179.6	-53.8	0	0	0	0	113.9	V311 L312 N313 S317 H318	V311-S315 WeakPolarHBondContact O-CB 3.14Å; V311-S315 PolarHBondContact O-OG 2.84Å; L312-S315 CarbonylContact O-C 3.48Å; L312-S315 VanDerWaalsContact O-C 3.3Å; L312-S315 PolarHBondContact O-N 3.17Å; L312-S315 VanDerWaalsContact O-N 3.17Å; N313-S315 PolarHBondContact O-N 2.68Å; S315-S317 PolarHBondContact O-N 2.81Å; S315-H318 PolarHBondContact O-N 3.11Å; S315-H318 PolarHBondContact O-ND1 3.44Å
316	A	76	Confident	88.2	Confident	69 Å²	69	55.1 Å²	55.1	57%	0.57	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-44.3	-35.8	-164.1	0	0	0	0	0	116.7	L312 H318 A319	L312-A316 VanDerWaalsContact O-CA 3.29Å; L312-A316 WeakPolarHBondContact O-CA 3.3Å; L312-A316 PolarHBondContact O-N 2.76Å; A316-H318 PolarHBondContact O-N 3.31Å; A316-A319 WeakPolarHBondContact O-CB 3.19Å; A316-A319 PolarHBondContact O-N 3.34Å; A316-A319 VanDerWaalsContact O-N 3.07Å
317	S	76.1	Confident	88.2	Confident	98 Å²	98	52.1 Å²	52.1	69%	0.685	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-60.3	-13.4	174.8	52.6	0	0	0	0	115.2	S315	S315-S317 PolarHBondContact O-N 2.81Å
318	H	73.5	Confident	88.3	Confident	31 Å²	31	54.9 Å²	54.9	14%	0.144	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-113.6	-0.2	177.8	-52.7	85.8	0	0	0	113.3	S315 A316 R320 K321 W322	S315-H318 PolarHBondContact O-N 3.11Å; S315-H318 PolarHBondContact O-ND1 3.44Å; A316-H318 PolarHBondContact O-N 3.31Å; H318-R320 PolarHBondContact O-N 3.45Å; H318-K321 PolarHBondContact O-N 3.14Å; H318-W322 HydrophobicContact CB-CD2 3.94Å; H318-W322 HydrophobicContact CB-CG 4.23Å; H318-W322 HydrophobicContact CB-CZ2 4.02Å; H318-W322 PolarHBondContact O-N 2.85Å
319	A	67.3	Low	88.4	Confident	42 Å²	42	54.1 Å²	54.1	35%	0.347	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-23.7	-172	0	0	0	0	0	115.3	L312 A316	L312-A319 HydrophobicContact CB-CB 4.26Å; L312-A319 HydrophobicContact CD1-CB 4.12Å; L312-A319 HydrophobicContact CD2-CB 4.32Å; L312-A319 HydrophobicContact CG-CB 4.45Å; A316-A319 WeakPolarHBondContact O-CB 3.19Å; A316-A319 PolarHBondContact O-N 3.34Å; A316-A319 VanDerWaalsContact O-N 3.07Å
320	R	69.8	Low	88.5	Confident	254 Å²	254	49.7 Å²	49.7	96%	0.958	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	0.1	174.8	-62.1	-173	-178.9	-171.5	-0	114.7	H318	H318-R320 PolarHBondContact O-N 3.45Å
321	K	81.3	Confident	88.5	Confident	165 Å²	165	49.5 Å²	49.5	72%	0.717	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.8	-26.5	-171.7	-65	-178.3	179.4	175.7	0	114.2	H318	H318-K321 PolarHBondContact O-N 3.14Å
322	W	91	Very high	88.4	Confident	14 Å²	14	53.7 Å²	53.7	5%	0.053	28%	0.282	C	S	.	.			trans	-88.5	118.3	-175.6	-67.4	-6	0	0	0	111.2	V311 L312 H318 F324 C394 N400 F415	V311-W322 HydrophobicContact CG1-CE3 4.2Å; V311-W322 HydrophobicContact CG1-CZ3 3.85Å; L312-W322 HydrophobicContact CD2-CB 4.19Å; L312-W322 HydrophobicContact CD2-CD2 4.38Å; L312-W322 HydrophobicContact CD2-CE3 3.79Å; H318-W322 HydrophobicContact CB-CD2 3.94Å; H318-W322 HydrophobicContact CB-CG 4.23Å; H318-W322 HydrophobicContact CB-CZ2 4.02Å; H318-W322 PolarHBondContact O-N 2.85Å; W322-F324 HydrophobicContact CB-CE2 4.07Å; W322-C394 HydrophobicContact CH2-CB 3.94Å; W322-C394 HydrophobicContact CZ3-CB 3.86Å; W322-N400 HydrophobicContact CZ2-CB 4.02Å; W322-F415 AromaticContact CD1-CD2 3.48Å; W322-F415 VanDerWaalsContact CD1-CD2 3.48Å; W322-F415 AromaticContact CD1-CG 3.98Å; W322-F415 HydrophobicContact CD2-CB 3.56Å; W322-F415 HydrophobicContact CD2-CD1 4.48Å; W322-F415 HydrophobicContact CD2-CD2 4.15Å; W322-F415 AromaticContact CD2-CG 3.84Å; W322-F415 HydrophobicContact CD2-CG 3.84Å; W322-F415 AromaticContact CE2-CD1 3.72Å; W322-F415 AromaticContact CE2-CD2 3.64Å; W322-F415 AromaticContact CE2-CG 3.39Å; W322-F415 HydrophobicContact CE3-CB 3.79Å; W322-F415 HydrophobicContact CE3-CG 4.42Å; W322-F415 HydrophobicContact CG-CB 3.96Å; W322-F415 HydrophobicContact CG-CD2 4.06Å; W322-F415 HydrophobicContact CG-CG 4.2Å; W322-F415 HydrophobicContact CH2-CB 4.23Å; W322-F415 AromaticContact CH2-CD1 3.98Å; W322-F415 HydrophobicContact CH2-CD1 3.98Å; W322-F415 HydrophobicContact CH2-CG 4.25Å; W322-F415 HydrophobicContact CZ2-CB 4.02Å; W322-F415 AromaticContact CZ2-CD1 3.42Å; W322-F415 HydrophobicContact CZ2-CD1 3.42Å; W322-F415 VanDerWaalsContact CZ2-CD1 3.42Å; W322-F415 HydrophobicContact CZ2-CD2 4.22Å; W322-F415 AromaticContact CZ2-CE1 3.87Å; W322-F415 HydrophobicContact CZ2-CE1 3.87Å; W322-F415 AromaticContact CZ2-CG 3.63Å; W322-F415 HydrophobicContact CZ2-CG 3.63Å; W322-F415 HydrophobicContact CZ2-CZ 4.42Å; W322-F415 HydrophobicContact CZ3-CB 4.12Å; W322-F415 AromaticContact NE1-CD2 3.18Å; W322-F415 AromaticContact NE1-CE2 3.46Å; W322-F415 AromaticContact NE1-CG 3.5Å
323	D	92.6	Very high	88.4	Confident	54 Å²	54	60.4 Å²	60.4	29%	0.289	31%	0.31	S	S	.	.			trans	-93.8	142.9	174.6	177.6	29.9	0	0	0	110.3	T325 F418 E419 G420	D323-T325 WeakPolarHBondContact OD1-CB 3.32Å; D323-T325 PolarHBondContact OD1-N 2.84Å; D323-T325 PolarHBondContact OD1-OG1 3.23Å; D323-T325 WeakPolarHBondContact OD2-CB 3.22Å; D323-T325 PolarHBondContact OD2-OG1 3.04Å; D323-F418 CarbonylContact O-C 3.58Å; D323-E419 HydrophobicContact CB-CB 4.2Å; D323-G420 PolarHBondContact OD2-N 2.95Å
324	F	95.9	Very high	88.4	Confident	7 Å²	7	59.4 Å²	59.4	3%	0.031	31%	0.307	C	S	.	.			trans	-122.9	11.1	-178.7	-80.3	-112.9	0	0	0	111.7	K308 V311 W322 A326 L327 D328 F418	K308-F324 HydrophobicContact CB-CD1 4Å; K308-F324 HydrophobicContact CB-CD2 4.31Å; K308-F324 HydrophobicContact CB-CE1 4.24Å; K308-F324 HydrophobicContact CB-CG 4.05Å; K308-F324 HydrophobicContact CD-CB 4.09Å; K308-F324 HydrophobicContact CD-CD2 3.98Å; K308-F324 HydrophobicContact CD-CG 4.08Å; K308-F324 HydrophobicContact CG-CB 4.43Å; K308-F324 HydrophobicContact CG-CD1 4.29Å; K308-F324 HydrophobicContact CG-CD2 3.7Å; K308-F324 HydrophobicContact CG-CE2 3.96Å; K308-F324 HydrophobicContact CG-CG 3.89Å; K308-F324 HydrophobicContact CG-CZ 4.37Å; V311-F324 HydrophobicContact CB-CZ 4.1Å; V311-F324 HydrophobicContact CG1-CZ 3.98Å; W322-F324 HydrophobicContact CB-CE2 4.07Å; F324-A326 VanDerWaalsContact C-N 3.26Å; F324-A326 PolarHBondContact O-N 3.31Å; F324-L327 HydrophobicContact CD1-CD2 4.12Å; F324-L327 PolarHBondContact O-N 3.46Å; F324-D328 PolarHBondContact O-N 2.73Å; F324-F418 CarbonylContact C-O 3.53Å; F324-F418 VanDerWaalsContact CA-O 3.22Å; F324-F418 WeakPolarHBondContact CA-O 3.29Å; F324-F418 HydrophobicContact CB-CB 4.48Å; F324-F418 HydrophobicContact CD1-CB 4.14Å; F324-F418 AromaticContact CD1-CD2 3.99Å; F324-F418 HydrophobicContact CD1-CD2 3.99Å; F324-F418 HydrophobicContact CD1-CG 4.26Å; F324-F418 AromaticContact CE1-CD2 3.6Å; F324-F418 HydrophobicContact CE1-CD2 3.6Å; F324-F418 HydrophobicContact CE1-CE2 4.1Å; F324-F418 HydrophobicContact CE1-CG 4.31Å; F324-F418 HydrophobicContact CG-CB 4.19Å; F324-F418 AromaticContact CZ-CD2 3.89Å; F324-F418 HydrophobicContact CZ-CD2 3.89Å; F324-F418 HydrophobicContact CZ-CE2 4.41Å
325	T	96.8	Very high	88.5	Confident	58 Å²	58	61.1 Å²	61.1	36%	0.356	32%	0.316	S	S	.	.	H	α-helix	trans	-52.3	-38.7	-177.6	-63.2	0	0	0	0	113.3	D323 D328 L329 F418 G420	D323-T325 WeakPolarHBondContact OD1-CB 3.32Å; D323-T325 PolarHBondContact OD1-N 2.84Å; D323-T325 PolarHBondContact OD1-OG1 3.23Å; D323-T325 WeakPolarHBondContact OD2-CB 3.22Å; D323-T325 PolarHBondContact OD2-OG1 3.04Å; T325-D328 PolarHBondContact O-N 2.73Å; T325-L329 HydrophobicContact CG2-CD1 3.86Å; T325-L329 HydrophobicContact CG2-CG 4.28Å; T325-L329 WeakPolarHBondContact O-CB 3.47Å; T325-L329 WeakPolarHBondContact O-CG 3.46Å; T325-L329 PolarHBondContact O-N 3.09Å; T325-F418 PolarHBondContact N-O 3.15Å; T325-G420 CarbonylContact C-O 3.5Å
326	A	97.4	Very high	88.7	Confident	1 Å²	1	68.6 Å²	68.6	1%	0.008	35%	0.351	C	S	.	.	H	α-helix	trans	-70	-36	179.9	0	0	0	0	0	112.2	F324 Y330 F418 G420 K425 I426	F324-A326 VanDerWaalsContact C-N 3.26Å; F324-A326 PolarHBondContact O-N 3.31Å; A326-Y330 WeakPolarHBondContact O-CB 3.41Å; A326-Y330 PolarHBondContact O-N 2.98Å; A326-F418 WeakPolarHBondContact CB-O 3.37Å; A326-F418 PolarHBondContact N-O 2.92Å; A326-G420 WeakPolarHBondContact CA-O 3.47Å; A326-G420 WeakPolarHBondContact CB-O 3.35Å; A326-G420 PolarHBondContact N-O 2.92Å; A326-K425 HydrophobicContact CB-CB 3.72Å; A326-K425 HydrophobicContact CB-CG 4.2Å; A326-I426 VanDerWaalsContact O-CD1 3.32Å; A326-I426 WeakPolarHBondContact O-CD1 3.2Å
327	L	96.1	Very high	89.5	Confident	3 Å²	3	74.4 Å²	74.4	2%	0.016	36%	0.358	C	S	.	.	H	α-helix	trans	-73	-38.2	176.8	-172.7	61	0	0	0	111	V304 L307 F324 Y330 C331 F418 L429 M433	V304-L327 HydrophobicContact CG1-CB 4.22Å; V304-L327 HydrophobicContact CG1-CD2 4.13Å; V304-L327 HydrophobicContact CG1-CG 3.99Å; V304-L327 HydrophobicContact CG2-CG 4.3Å; L307-L327 HydrophobicContact CD2-CD2 3.85Å; F324-L327 HydrophobicContact CD1-CD2 4.12Å; F324-L327 PolarHBondContact O-N 3.46Å; L327-Y330 HydrophobicContact CD1-CD1 4.25Å; L327-Y330 PolarHBondContact O-N 3.42Å; L327-C331 PolarHBondContact O-N 3.24Å; L327-C331 PolarHBondContact O-SG 2.89Å; L327-C331 VanDerWaalsContact O-SG 3.4Å; L327-F418 HydrophobicContact CB-CB 4.18Å; L327-F418 HydrophobicContact CB-CD1 4.15Å; L327-F418 HydrophobicContact CB-CG 4.38Å; L327-F418 HydrophobicContact CD2-CD1 4.13Å; L327-F418 HydrophobicContact CD2-CE1 4.35Å; L327-F418 HydrophobicContact CD2-CG 4.39Å; L327-L429 HydrophobicContact CD1-CD1 4.24Å; L327-L429 HydrophobicContact CD1-CD2 4.1Å; L327-M433 HydrophobicContact CD1-CE 4.42Å
328	D	96.6	Very high	90.3	Very high	63 Å²	63	75.6 Å²	75.6	34%	0.337	36%	0.356	S	S	.	.	H	α-helix	trans	-62.3	-48	173.4	-169.2	90.9	0	0	0	111.5	V304 F324 T325 Y330 C331 N332	V304-D328 HydrophobicContact CG1-CB 4.28Å; F324-D328 PolarHBondContact O-N 2.73Å; T325-D328 PolarHBondContact O-N 2.73Å; D328-Y330 VanDerWaalsContact C-N 3.34Å; D328-Y330 PolarHBondContact O-N 3.39Å; D328-C331 PolarHBondContact O-N 2.71Å; D328-N332 VanDerWaalsContact O-CB 3.26Å; D328-N332 WeakPolarHBondContact O-CB 3.37Å; D328-N332 PolarHBondContact O-N 3.03Å; D328-N332 PolarHBondContact O-ND2 2.9Å; D328-N332 PolarHBondContact OD1-ND2 2.73Å; D328-N332 PolarHBondContact OD2-ND2 3.25Å
329	L	96.8	Very high	91.2	Very high	49 Å²	49	76.1 Å²	76.1	26%	0.257	37%	0.366	S	S	.	.	H	α-helix	trans	-61.1	-40.4	175.4	-72.2	171.5	0	0	0	112.1	T325 K333 V334 I426	T325-L329 HydrophobicContact CG2-CD1 3.86Å; T325-L329 HydrophobicContact CG2-CG 4.28Å; T325-L329 WeakPolarHBondContact O-CB 3.47Å; T325-L329 WeakPolarHBondContact O-CG 3.46Å; T325-L329 PolarHBondContact O-N 3.09Å; L329-K333 HydrophobicContact CD2-CG 3.81Å; L329-K333 WeakPolarHBondContact O-CA 3.31Å; L329-K333 VanDerWaalsContact O-CB 3.27Å; L329-K333 WeakPolarHBondContact O-CB 3.38Å; L329-K333 PolarHBondContact O-N 3.28Å; L329-V334 PolarHBondContact O-N 3.28Å; L329-I426 HydrophobicContact CB-CD1 4.05Å
330	Y	96.5	Very high	92.5	Very high	15 Å²	15	75.5 Å²	75.5	6%	0.059	36%	0.358	C	S	.	.	I	π-helix	trans	-58.7	-52.8	175.6	174.1	-114.1	0	0	0	111.3	A326 L327 D328 V334 L335 L343 I426 L429 K430 M433	A326-Y330 WeakPolarHBondContact O-CB 3.41Å; A326-Y330 PolarHBondContact O-N 2.98Å; L327-Y330 HydrophobicContact CD1-CD1 4.25Å; L327-Y330 PolarHBondContact O-N 3.42Å; D328-Y330 VanDerWaalsContact C-N 3.34Å; D328-Y330 PolarHBondContact O-N 3.39Å; Y330-V334 HydrophobicContact CD2-CB 4.4Å; Y330-V334 HydrophobicContact CD2-CG1 4.41Å; Y330-V334 WeakPolarHBondContact O-CB 3.11Å; Y330-V334 PolarHBondContact O-N 3.2Å; Y330-L335 HydrophobicContact CD1-CD1 4.3Å; Y330-L335 HydrophobicContact CD2-CG 4.49Å; Y330-L335 HydrophobicContact CE1-CD1 3.8Å; Y330-L335 HydrophobicContact CE1-CG 4.23Å; Y330-L335 HydrophobicContact CE2-CD2 3.92Å; Y330-L335 HydrophobicContact CE2-CG 4.1Å; Y330-L335 PolarHBondContact O-N 3.07Å; Y330-L343 HydrophobicContact CE1-CD2 4.44Å; Y330-I426 HydrophobicContact CD2-CG2 4.21Å; Y330-L429 HydrophobicContact CD1-CB 4.28Å; Y330-L429 HydrophobicContact CD1-CD1 4.38Å; Y330-L429 HydrophobicContact CD2-CB 4.16Å; Y330-L429 HydrophobicContact CE1-CB 4.46Å; Y330-L429 HydrophobicContact CE2-CB 4.36Å; Y330-L429 HydrophobicContact CG-CB 4.11Å; Y330-L429 HydrophobicContact CG-CD1 4.07Å; Y330-K430 HydrophobicContact CE2-CG 3.82Å; Y330-M433 HydrophobicContact CE1-CE 4.29Å; Y330-M433 HydrophobicContact CE1-CG 3.94Å
331	C	94.6	Very high	93.6	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.014	34%	0.335	C	S	.	.	I	π-helix	trans	-68.1	-45.7	-179.9	-62.6	0	0	0	0	112.8	V304 L327 D328 V340 L343	V304-C331 HydrophobicContact CG2-CB 3.68Å; V304-C331 WeakPolarHBondContact CG2-SG 3.27Å; L327-C331 PolarHBondContact O-N 3.24Å; L327-C331 PolarHBondContact O-SG 2.89Å; L327-C331 VanDerWaalsContact O-SG 3.4Å; D328-C331 PolarHBondContact O-N 2.71Å; C331-V340 WeakPolarHBondContact O-CG2 3.21Å; C331-L343 VanDerWaalsContact SG-CD2 3.55Å
332	N	93	Very high	94.3	Very high	90 Å²	90	64 Å²	64	48%	0.481	32%	0.317	S	S	.	.	I	π-helix	trans	-93.1	-13.5	-168	-63.9	-33.2	0	0	0	114.9	D328	D328-N332 VanDerWaalsContact O-CB 3.26Å; D328-N332 WeakPolarHBondContact O-CB 3.37Å; D328-N332 PolarHBondContact O-N 3.03Å; D328-N332 PolarHBondContact O-ND2 2.9Å; D328-N332 PolarHBondContact OD1-ND2 2.73Å; D328-N332 PolarHBondContact OD2-ND2 3.25Å
333	K	92.4	Very high	94.5	Very high	164 Å²	164	63.8 Å²	63.8	71%	0.713	32%	0.317	S	S	*	.	I	π-helix	trans	-129.3	-13.2	-175.5	-54.6	-65.2	173.3	-166	0	114.9	L329	L329-K333 HydrophobicContact CD2-CG 3.81Å; L329-K333 WeakPolarHBondContact O-CA 3.31Å; L329-K333 VanDerWaalsContact O-CB 3.27Å; L329-K333 WeakPolarHBondContact O-CB 3.38Å; L329-K333 PolarHBondContact O-N 3.28Å
334	V	93.5	Very high	94.7	Very high	59 Å²	59	61.7 Å²	61.7	36%	0.358	31%	0.306	S	S	.	.	I	π-helix	trans	-121.4	-38.3	-172.2	-177.5	0	0	0	0	112.2	L329 Y330 I426	L329-V334 PolarHBondContact O-N 3.28Å; Y330-V334 HydrophobicContact CD2-CB 4.4Å; Y330-V334 HydrophobicContact CD2-CG1 4.41Å; Y330-V334 WeakPolarHBondContact O-CB 3.11Å; Y330-V334 PolarHBondContact O-N 3.2Å; V334-I426 HydrophobicContact CB-CG2 4.12Å; V334-I426 HydrophobicContact CG1-CG2 3.7Å; V334-I426 HydrophobicContact CG2-CG2 3.66Å
335	L	93.4	Very high	94.7	Very high	42 Å²	42	65.8 Å²	65.8	22%	0.22	33%	0.328	C	S	.	.	S	Bend	trans	-78.6	142.7	172.2	-67.2	-176.1	0	0	0	111.7	Y330 A339 V340 L343	Y330-L335 HydrophobicContact CD1-CD1 4.3Å; Y330-L335 HydrophobicContact CD2-CG 4.49Å; Y330-L335 HydrophobicContact CE1-CD1 3.8Å; Y330-L335 HydrophobicContact CE1-CG 4.23Å; Y330-L335 HydrophobicContact CE2-CD2 3.92Å; Y330-L335 HydrophobicContact CE2-CG 4.1Å; Y330-L335 PolarHBondContact O-N 3.07Å; L335-A339 HydrophobicContact CB-CB 4.3Å; L335-A339 HydrophobicContact CD2-CB 4.22Å; L335-V340 HydrophobicContact CB-CG2 3.54Å; L335-V340 HydrophobicContact CD1-CG2 4.25Å; L335-L343 HydrophobicContact CD1-CD2 3.91Å
336	E	93.3	Very high	94.7	Very high	161 Å²	161	65.1 Å²	65.1	75%	0.752	33%	0.325	S	S	*	.			trans	-72.3	158.7	165.5	-62	-173.3	168.1	0	0	110.4	D338 A339 V340	E336-D338 PolarHBondContact O-N 2.74Å; E336-A339 WeakPolarHBondContact O-CA 3.11Å; E336-A339 WeakPolarHBondContact O-CB 3.38Å; E336-A339 PolarHBondContact O-N 3.5Å; E336-V340 PolarHBondContact O-N 3.38Å
337	R	91.4	Very high	94.7	Very high	191 Å²	191	65.6 Å²	65.6	72%	0.721	33%	0.328	S	S	*	.	H	α-helix	trans	-52.2	-52	-173.5	-177.3	-179	-63.4	172.1	2.1	112.4	A339 V340 E341	R337-A339 PolarHBondContact O-N 2.96Å; R337-V340 WeakPolarHBondContact O-CA 3.3Å; R337-V340 WeakPolarHBondContact O-CB 3.39Å; R337-V340 PolarHBondContact O-N 2.97Å; R337-E341 WeakPolarHBondContact CG-OE1 3.44Å; R337-E341 PolarHBondContact O-N 3.19Å
338	D	93.1	Very high	94.8	Very high	122 Å²	122	65.6 Å²	65.6	65%	0.652	33%	0.328	S	S	*	.	H	α-helix	trans	-61.6	-31.2	-178	-55.9	19.7	0	0	0	111.8	E336 H342	E336-D338 PolarHBondContact O-N 2.74Å; D338-H342 WeakPolarHBondContact O-CB 3.42Å; D338-H342 PolarHBondContact O-N 2.75Å
339	A	92.4	Very high	94.8	Very high	42 Å²	42	64.9 Å²	64.9	35%	0.347	33%	0.327	S	S	.	.	H	α-helix	trans	-76.2	-31.8	175.1	0	0	0	0	0	112.7	L335 E336 R337 L343	L335-A339 HydrophobicContact CB-CB 4.3Å; L335-A339 HydrophobicContact CD2-CB 4.22Å; E336-A339 WeakPolarHBondContact O-CA 3.11Å; E336-A339 WeakPolarHBondContact O-CB 3.38Å; E336-A339 PolarHBondContact O-N 3.5Å; R337-A339 PolarHBondContact O-N 2.96Å; A339-L343 WeakPolarHBondContact O-CB 3.43Å; A339-L343 PolarHBondContact O-N 2.76Å
340	V	94	Very high	94.9	Very high	30 Å²	30	65.6 Å²	65.6	18%	0.182	33%	0.331	C	S	.	.	H	α-helix	trans	-68.1	-44.6	170.1	-180	0	0	0	0	110.6	C331 L335 E336 R337 L343 F344	C331-V340 WeakPolarHBondContact O-CG2 3.21Å; L335-V340 HydrophobicContact CB-CG2 3.54Å; L335-V340 HydrophobicContact CD1-CG2 4.25Å; E336-V340 PolarHBondContact O-N 3.38Å; R337-V340 WeakPolarHBondContact O-CA 3.3Å; R337-V340 WeakPolarHBondContact O-CB 3.39Å; R337-V340 PolarHBondContact O-N 2.97Å; V340-L343 WeakPolarHBondContact O-CB 3.45Å; V340-L343 PolarHBondContact O-N 3.28Å; V340-F344 HydrophobicContact CG1-CD2 3.87Å; V340-F344 HydrophobicContact CG1-CE2 4.01Å; V340-F344 WeakPolarHBondContact O-CD2 3.32Å; V340-F344 PolarHBondContact O-N 3.03Å; V340-F344 VanDerWaalsContact O-N 3.09Å
341	E	93.9	Very high	95	Very high	103 Å²	103	64.9 Å²	64.9	48%	0.481	33%	0.328	S	S	.	.	H	α-helix	trans	-59.3	-50.5	175.7	-70.7	175.9	-166	0	0	110.2	R337 L343 F344 D345	R337-E341 WeakPolarHBondContact CG-OE1 3.44Å; R337-E341 PolarHBondContact O-N 3.19Å; E341-L343 VanDerWaalsContact C-N 3.31Å; E341-L343 PolarHBondContact O-N 2.77Å; E341-F344 PolarHBondContact O-N 2.7Å; E341-D345 VanDerWaalsContact O-CB 3.28Å; E341-D345 WeakPolarHBondContact O-CB 3.45Å; E341-D345 PolarHBondContact O-N 2.69Å
342	H	94.8	Very high	95.2	Very high	73 Å²	73	65 Å²	65	34%	0.338	33%	0.329	S	S	.	.	H	α-helix	trans	-60.3	-35.4	175.5	179.9	63.2	0	0	0	113.8	D338 S346 L347	D338-H342 WeakPolarHBondContact O-CB 3.42Å; D338-H342 PolarHBondContact O-N 2.75Å; H342-S346 WeakPolarHBondContact O-CB 3.18Å; H342-S346 PolarHBondContact O-N 3.48Å; H342-S346 VanDerWaalsContact O-N 3.09Å; H342-L347 PolarHBondContact O-N 3.26Å; H342-L347 VanDerWaalsContact O-N 3.13Å
343	L	95.8	Very high	95.4	Very high	10 Å²	10	65.3 Å²	65.3	5%	0.052	33%	0.327	C	S	.	.	I	π-helix	trans	-61.9	-48	175.2	175.1	63.7	0	0	0	111.6	Y330 C331 L335 A339 V340 E341 L347 L348 M433	Y330-L343 HydrophobicContact CE1-CD2 4.44Å; C331-L343 VanDerWaalsContact SG-CD2 3.55Å; L335-L343 HydrophobicContact CD1-CD2 3.91Å; A339-L343 WeakPolarHBondContact O-CB 3.43Å; A339-L343 PolarHBondContact O-N 2.76Å; V340-L343 WeakPolarHBondContact O-CB 3.45Å; V340-L343 PolarHBondContact O-N 3.28Å; E341-L343 VanDerWaalsContact C-N 3.31Å; E341-L343 PolarHBondContact O-N 2.77Å; L343-L347 HydrophobicContact CD1-CB 4.36Å; L343-L347 HydrophobicContact CD1-CD2 4Å; L343-L347 HydrophobicContact CD1-CG 4.33Å; L343-L348 WeakPolarHBondContact O-CB 2.79Å; L343-L348 PolarHBondContact O-N 3.17Å; L343-M433 HydrophobicContact CD1-CE 4.39Å; L343-M433 HydrophobicContact CD1-SD 4.12Å
344	F	96.4	Very high	95.7	Very high	10 Å²	10	58.2 Å²	58.2	4%	0.044	30%	0.297	C	S	.	.	I	π-helix	trans	-84.5	-28.4	-176.2	-76.2	-73.8	0	0	0	114.2	F301 N303 V304 V340 E341 L348 P349	F301-F344 HydrophobicContact CB-CD1 4.05Å; F301-F344 HydrophobicContact CB-CE1 4.31Å; N303-F344 VanDerWaalsContact C-CE1 3.43Å; N303-F344 WeakPolarHBondContact O-CE1 3.47Å; V304-F344 HydrophobicContact CG2-CZ 3.92Å; V340-F344 HydrophobicContact CG1-CD2 3.87Å; V340-F344 HydrophobicContact CG1-CE2 4.01Å; V340-F344 WeakPolarHBondContact O-CD2 3.32Å; V340-F344 PolarHBondContact O-N 3.03Å; V340-F344 VanDerWaalsContact O-N 3.09Å; E341-F344 PolarHBondContact O-N 2.7Å; F344-L348 HydrophobicContact CD1-CD2 3.69Å; F344-L348 HydrophobicContact CE1-CD2 3.73Å; F344-P349 VanDerWaalsContact O-CD 3.26Å; F344-P349 WeakPolarHBondContact O-CD 3.44Å; F344-P349 WeakPolarHBondContact O-CG 3.34Å
345	D	96.3	Very high	96	Very high	94 Å²	94	55.4 Å²	55.4	50%	0.503	28%	0.28	S	S	.	.	I	π-helix	trans	-92.5	-18	-177.9	-73.3	-21.4	0	0	0	114.4	K300 E341	K300-D345 WeakPolarHBondContact CE-OD1 3.37Å; K300-D345 IonicContact NZ-OD1 2.61Å; K300-D345 PolarHBondContact NZ-OD1 2.93Å; E341-D345 VanDerWaalsContact O-CB 3.28Å; E341-D345 WeakPolarHBondContact O-CB 3.45Å; E341-D345 PolarHBondContact O-N 2.69Å
346	S	96.4	Very high	96.2	Very high	43 Å²	43	54.5 Å²	54.5	30%	0.301	28%	0.275	S	S	.	.	I	π-helix	trans	-130.3	-67.4	178.6	-167.5	0	0	0	0	112.4	H342 L348 P349 D350	H342-S346 WeakPolarHBondContact O-CB 3.18Å; H342-S346 PolarHBondContact O-N 3.48Å; H342-S346 VanDerWaalsContact O-N 3.09Å; S346-L348 PolarHBondContact O-N 3.42Å; S346-P349 WeakPolarHBondContact O-CB 3.44Å; S346-P349 VanDerWaalsContact O-CD 3.23Å; S346-P349 WeakPolarHBondContact O-CD 3.28Å; S346-D350 PolarHBondContact O-N 3.34Å; S346-D350 VanDerWaalsContact O-OD2 3.05Å; S346-D350 PolarHBondContact OG-OD2 2.96Å
347	L	97.6	Very high	96.4	Very high	11 Å²	11	49.4 Å²	49.4	6%	0.058	25%	0.249	C	C	.	.	I	π-helix	trans	-63	-45.8	-166	177.2	57.8	0	0	0	113.2	H342 L343 D350 M351 M433 F436 K437	H342-L347 PolarHBondContact O-N 3.26Å; H342-L347 VanDerWaalsContact O-N 3.13Å; L343-L347 HydrophobicContact CD1-CB 4.36Å; L343-L347 HydrophobicContact CD1-CD2 4Å; L343-L347 HydrophobicContact CD1-CG 4.33Å; L347-D350 PolarHBondContact O-N 2.88Å; L347-M351 HydrophobicContact CD1-CG 4.19Å; L347-M351 HydrophobicContact CD1-SD 4.2Å; L347-M351 HydrophobicContact CG-SD 4.02Å; L347-M351 WeakPolarHBondContact O-CB 3.49Å; L347-M351 VanDerWaalsContact O-CG 3.26Å; L347-M351 WeakPolarHBondContact O-CG 3.01Å; L347-M351 PolarHBondContact O-N 3.29Å; L347-M433 HydrophobicContact CD2-SD 4.24Å; L347-F436 HydrophobicContact CD1-CB 4.27Å; L347-K437 HydrophobicContact CD1-CB 4.04Å; L347-K437 HydrophobicContact CD2-CB 4.23Å
348	L	97.6	Very high	96.7	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.021	22%	0.215	C	C	.	.	H	α-helix	trans	-67.6	-43.4	-179.8	-171	72.8	0	0	0	112.1	F301 L307 L343 F344 S346 D350 M351 V352 F392 F393	F301-L348 HydrophobicContact CB-CD2 4.1Å; F301-L348 HydrophobicContact CD2-CD2 3.77Å; F301-L348 HydrophobicContact CD2-CG 4.4Å; F301-L348 HydrophobicContact CG-CD2 4.35Å; L307-L348 HydrophobicContact CD1-CD1 4.5Å; L307-L348 HydrophobicContact CD1-CD2 4.41Å; L307-L348 HydrophobicContact CD2-CD1 4.18Å; L307-L348 HydrophobicContact CD2-CD2 4.08Å; L343-L348 WeakPolarHBondContact O-CB 2.79Å; L343-L348 PolarHBondContact O-N 3.17Å; F344-L348 HydrophobicContact CD1-CD2 3.69Å; F344-L348 HydrophobicContact CE1-CD2 3.73Å; S346-L348 PolarHBondContact O-N 3.42Å; L348-D350 PolarHBondContact O-N 2.93Å; L348-M351 PolarHBondContact O-N 3Å; L348-V352 WeakPolarHBondContact O-CG2 3.44Å; L348-V352 PolarHBondContact O-N 2.81Å; L348-F392 HydrophobicContact CD1-CE1 4Å; L348-F393 HydrophobicContact CD1-CE1 3.77Å; L348-F393 HydrophobicContact CD1-CZ 3.76Å; L348-F393 HydrophobicContact CG-CZ 4.48Å
349	P	98	Very high	97	Very high	47 Å²	47	36.7 Å²	36.7	31%	0.305	20%	0.199	S	C	.	.	H	α-helix	trans	-52.7	-46.4	165.3	-29.6	33.9	0	0	0	114.3	F344 S346 M351 V352 Q353	F344-P349 VanDerWaalsContact O-CD 3.26Å; F344-P349 WeakPolarHBondContact O-CD 3.44Å; F344-P349 WeakPolarHBondContact O-CG 3.34Å; S346-P349 WeakPolarHBondContact O-CB 3.44Å; S346-P349 VanDerWaalsContact O-CD 3.23Å; S346-P349 WeakPolarHBondContact O-CD 3.28Å; P349-M351 VanDerWaalsContact C-N 3.34Å; P349-M351 PolarHBondContact O-N 3.47Å; P349-V352 WeakPolarHBondContact O-CB 3.4Å; P349-V352 PolarHBondContact O-N 3.05Å; P349-V352 VanDerWaalsContact O-N 3.16Å; P349-Q353 WeakPolarHBondContact O-CG 3.44Å; P349-Q353 PolarHBondContact O-N 3.18Å
350	D	98.4	Very high	97.2	Very high	65 Å²	65	39.8 Å²	39.8	35%	0.348	21%	0.207	S	C	.	.	H	α-helix	trans	-64.6	-39.4	179.7	-64.1	-38.1	0	0	0	111.6	S346 L347 L348 Q353 L354 T440	S346-D350 PolarHBondContact O-N 3.34Å; S346-D350 VanDerWaalsContact O-OD2 3.05Å; S346-D350 PolarHBondContact OG-OD2 2.96Å; L347-D350 PolarHBondContact O-N 2.88Å; L348-D350 PolarHBondContact O-N 2.93Å; D350-Q353 PolarHBondContact O-N 3.47Å; D350-L354 VanDerWaalsContact O-CB 3.31Å; D350-L354 WeakPolarHBondContact O-CB 3.49Å; D350-L354 PolarHBondContact O-N 3.34Å; D350-T440 HydrophobicContact CB-CG2 3.73Å
351	M	98.7	Very high	97.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-63.2	-40	172.2	-72	171	62.3	0	0	112.2	L347 L348 P349 L354 A355 F392 F393 M433 F436	L347-M351 HydrophobicContact CD1-CG 4.19Å; L347-M351 HydrophobicContact CD1-SD 4.2Å; L347-M351 HydrophobicContact CG-SD 4.02Å; L347-M351 WeakPolarHBondContact O-CB 3.49Å; L347-M351 VanDerWaalsContact O-CG 3.26Å; L347-M351 WeakPolarHBondContact O-CG 3.01Å; L347-M351 PolarHBondContact O-N 3.29Å; L348-M351 PolarHBondContact O-N 3Å; P349-M351 VanDerWaalsContact C-N 3.34Å; P349-M351 PolarHBondContact O-N 3.47Å; M351-L354 PolarHBondContact O-N 3.45Å; M351-A355 WeakPolarHBondContact O-CB 3.39Å; M351-A355 PolarHBondContact O-N 2.85Å; M351-F392 HydrophobicContact CE-CB 4.19Å; M351-F392 HydrophobicContact CE-CD1 3.51Å; M351-F392 HydrophobicContact CE-CD2 3.89Å; M351-F392 HydrophobicContact CE-CE1 3.78Å; M351-F392 HydrophobicContact CE-CE2 4.15Å; M351-F392 HydrophobicContact CE-CG 3.58Å; M351-F392 HydrophobicContact CE-CZ 4.11Å; M351-F393 HydrophobicContact CB-CE2 3.97Å; M351-F393 HydrophobicContact CB-CZ 4.05Å; M351-M433 HydrophobicContact SD-SD 4.46Å; M351-F436 HydrophobicContact CE-CB 4.3Å; M351-F436 HydrophobicContact CE-CD1 4.05Å; M351-F436 HydrophobicContact CE-CD2 3.59Å; M351-F436 HydrophobicContact CE-CE1 4.28Å; M351-F436 HydrophobicContact CE-CE2 3.84Å; M351-F436 HydrophobicContact CE-CG 3.71Å; M351-F436 HydrophobicContact CE-CZ 4.18Å; M351-F436 HydrophobicContact CG-CB 3.94Å; M351-F436 HydrophobicContact CG-CD1 4.14Å; M351-F436 HydrophobicContact CG-CG 4.09Å; M351-F436 HydrophobicContact SD-CB 3.72Å; M351-F436 HydrophobicContact SD-CD1 4.39Å; M351-F436 HydrophobicContact SD-CD2 4.09Å; M351-F436 HydrophobicContact SD-CG 3.82Å
352	V	98.6	Very high	97.6	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.024	18%	0.176	C	C	.	.	H	α-helix	trans	-60.7	-52.5	174.1	161.7	0	0	0	0	110.1	L297 F301 L348 P349 L354 A355 L356 F393	L297-V352 HydrophobicContact CB-CG1 3.94Å; L297-V352 HydrophobicContact CB-CG2 4.27Å; L297-V352 WeakPolarHBondContact O-CG1 3.46Å; F301-V352 HydrophobicContact CE2-CG2 4.31Å; L348-V352 WeakPolarHBondContact O-CG2 3.44Å; L348-V352 PolarHBondContact O-N 2.81Å; P349-V352 WeakPolarHBondContact O-CB 3.4Å; P349-V352 PolarHBondContact O-N 3.05Å; P349-V352 VanDerWaalsContact O-N 3.16Å; V352-L354 VanDerWaalsContact C-N 3.26Å; V352-L354 PolarHBondContact O-N 2.75Å; V352-A355 WeakPolarHBondContact O-CA 3.41Å; V352-A355 WeakPolarHBondContact O-CB 3.47Å; V352-A355 PolarHBondContact O-N 2.85Å; V352-L356 HydrophobicContact CG1-CD1 3.91Å; V352-L356 HydrophobicContact CG1-CG 4.14Å; V352-L356 WeakPolarHBondContact O-CG 3.2Å; V352-L356 PolarHBondContact O-N 3.36Å; V352-F393 HydrophobicContact CB-CZ 4.44Å; V352-F393 HydrophobicContact CG2-CE1 3.96Å; V352-F393 HydrophobicContact CG2-CE2 3.97Å; V352-F393 HydrophobicContact CG2-CZ 3.48Å; V352-F393 VanDerWaalsContact CG2-CZ 3.48Å
353	Q	98.1	Very high	97.8	Very high	96 Å²	96	30.3 Å²	30.3	45%	0.449	16%	0.161	S	C	.	.	H	α-helix	trans	-60.7	-38.5	-179.2	-67.2	-60.2	-39.5	0	0	111.4	D298 P349 D350 R357	D298-Q353 PolarHBondContact OD1-NE2 3.41Å; P349-Q353 WeakPolarHBondContact O-CG 3.44Å; P349-Q353 PolarHBondContact O-N 3.18Å; D350-Q353 PolarHBondContact O-N 3.47Å; Q353-R357 VanDerWaalsContact O-CG 3.25Å; Q353-R357 WeakPolarHBondContact O-CG 3.47Å; Q353-R357 PolarHBondContact O-N 3.05Å
354	L	98.3	Very high	98	Very high	15 Å²	15	31.3 Å²	31.3	8%	0.079	16%	0.164	C	C	.	.	H	α-helix	trans	-63.1	-39	172.3	180	59.3	0	0	0	112.7	D350 M351 V352 L361 A385 C386 A389 V439 T440	D350-L354 VanDerWaalsContact O-CB 3.31Å; D350-L354 WeakPolarHBondContact O-CB 3.49Å; D350-L354 PolarHBondContact O-N 3.34Å; M351-L354 PolarHBondContact O-N 3.45Å; V352-L354 VanDerWaalsContact C-N 3.26Å; V352-L354 PolarHBondContact O-N 2.75Å; L354-L361 HydrophobicContact CD1-CD1 4.07Å; L354-A385 HydrophobicContact CD2-CB 3.91Å; L354-C386 HydrophobicContact CD1-CB 4.1Å; L354-C386 PolarHBondContact O-SG 3.35Å; L354-A389 HydrophobicContact CD2-CB 4.34Å; L354-A389 HydrophobicContact CG-CB 4.26Å; L354-V439 HydrophobicContact CD2-CG2 4.44Å; L354-T440 HydrophobicContact CD2-CG2 4.24Å
355	A	98.7	Very high	98.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-70.3	-42	177.1	0	0	0	0	0	113	M351 V352 R357 A358 A389 N390 F393	M351-A355 WeakPolarHBondContact O-CB 3.39Å; M351-A355 PolarHBondContact O-N 2.85Å; V352-A355 WeakPolarHBondContact O-CA 3.41Å; V352-A355 WeakPolarHBondContact O-CB 3.47Å; V352-A355 PolarHBondContact O-N 2.85Å; A355-R357 VanDerWaalsContact C-N 3.25Å; A355-R357 PolarHBondContact O-N 2.76Å; A355-A358 WeakPolarHBondContact O-CB 3.27Å; A355-A358 PolarHBondContact O-N 2.87Å; A355-A389 HydrophobicContact CB-CB 3.85Å; A355-N390 WeakPolarHBondContact CA-ND2 3.4Å; A355-N390 PolarHBondContact O-ND2 3.08Å; A355-F393 HydrophobicContact CB-CD2 3.93Å; A355-F393 HydrophobicContact CB-CE2 4.25Å
356	L	98.4	Very high	98.2	Very high	23 Å²	23	27.3 Å²	27.3	12%	0.12	15%	0.145	C	C	.	.	H	α-helix	trans	-71.1	-19.3	-178.4	-60.8	-171.3	0	0	0	112.9	W290 I293 N294 L297 V352 A358	W290-L356 HydrophobicContact CH2-CD2 4.09Å; W290-L356 HydrophobicContact CZ2-CD2 4.38Å; W290-L356 WeakPolarHBondContact CZ2-O 3.17Å; I293-L356 HydrophobicContact CG2-CD2 4.16Å; N294-L356 WeakPolarHBondContact OD1-CD2 3.29Å; L297-L356 HydrophobicContact CB-CD2 4.33Å; L297-L356 HydrophobicContact CD1-CD2 4.15Å; V352-L356 HydrophobicContact CG1-CD1 3.91Å; V352-L356 HydrophobicContact CG1-CG 4.14Å; V352-L356 WeakPolarHBondContact O-CG 3.2Å; V352-L356 PolarHBondContact O-N 3.36Å; L356-A358 PolarHBondContact O-N 3.1Å; L356-A358 VanDerWaalsContact O-N 3.13Å
357	R	98.1	Very high	98.3	Very high	54 Å²	54	26 Å²	26	20%	0.204	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	13.7	170.5	-70	173.8	69	-127.9	-4.3	114.5	Q353 A355 S359 E360 L361 E382	Q353-R357 VanDerWaalsContact O-CG 3.25Å; Q353-R357 WeakPolarHBondContact O-CG 3.47Å; Q353-R357 PolarHBondContact O-N 3.05Å; A355-R357 VanDerWaalsContact C-N 3.25Å; A355-R357 PolarHBondContact O-N 2.76Å; R357-S359 PolarHBondContact O-N 2.85Å; R357-E360 HydrophobicContact CB-CB 4.37Å; R357-E360 WeakPolarHBondContact CG-OE2 3.48Å; R357-E360 IonicContact CZ-OE1 3.46Å; R357-E360 IonicContact CZ-OE2 3.44Å; R357-E360 IonicContact NE-OE1 2.77Å; R357-E360 PolarHBondContact NE-OE1 2.88Å; R357-E360 IonicContact NE-OE2 2.71Å; R357-E360 PolarHBondContact NE-OE2 3.48Å; R357-E360 IonicContact NH2-OE1 4Å; R357-E360 PolarHBondContact NH2-OE1 2.77Å; R357-E360 IonicContact NH2-OE2 3.58Å; R357-E360 WeakPolarHBondContact O-CB 3.28Å; R357-E360 PolarHBondContact O-N 3.12Å; R357-L361 HydrophobicContact CB-CD1 4Å; R357-L361 HydrophobicContact CB-CG 4.25Å; R357-L361 PolarHBondContact O-N 2.8Å; R357-E382 IonicContact CZ-OE1 2.71Å; R357-E382 IonicContact NH1-OE1 3.19Å; R357-E382 PolarHBondContact NH1-OE1 2.84Å; R357-E382 IonicContact NH2-OE1 3.76Å; R357-E382 PolarHBondContact NH2-OE1 3.5Å
358	A	98.1	Very high	98.3	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-52.2	-45.2	-177.6	0	0	0	0	0	114.4	C274 W290 A355 L356 C362 C386	C274-A358 HydrophobicContact CB-CB 4.33Å; W290-A358 HydrophobicContact CH2-CB 3.98Å; W290-A358 HydrophobicContact CZ2-CB 4.23Å; A355-A358 WeakPolarHBondContact O-CB 3.27Å; A355-A358 PolarHBondContact O-N 2.87Å; L356-A358 PolarHBondContact O-N 3.1Å; L356-A358 VanDerWaalsContact O-N 3.13Å; A358-C362 WeakPolarHBondContact O-CA 3.47Å; A358-C362 WeakPolarHBondContact O-CB 3.35Å; A358-C362 PolarHBondContact O-N 2.78Å; A358-C386 VanDerWaalsContact CA-SG 3.53Å
359	S	97.6	Very high	98.4	Very high	46 Å²	46	25.5 Å²	25.5	32%	0.322	13%	0.133	S	C	.	.	H	α-helix	trans	-76.1	-20.8	177.8	49.6	0	0	0	0	113.9	F261 R357 T363	F261-S359 WeakPolarHBondContact CB-O 3.17Å; R357-S359 PolarHBondContact O-N 2.85Å; S359-T363 WeakPolarHBondContact O-CG2 3.28Å
360	E	98.2	Very high	98.3	Very high	107 Å²	107	25.6 Å²	25.6	50%	0.5	13%	0.128	S	C	.	.	H	α-helix	trans	-79.1	-38.9	174.3	-169.6	-156.5	138.9	0	0	111.4	R357 T363	R357-E360 HydrophobicContact CB-CB 4.37Å; R357-E360 WeakPolarHBondContact CG-OE2 3.48Å; R357-E360 IonicContact CZ-OE1 3.46Å; R357-E360 IonicContact CZ-OE2 3.44Å; R357-E360 IonicContact NE-OE1 2.77Å; R357-E360 PolarHBondContact NE-OE1 2.88Å; R357-E360 IonicContact NE-OE2 2.71Å; R357-E360 PolarHBondContact NE-OE2 3.48Å; R357-E360 IonicContact NH2-OE1 4Å; R357-E360 PolarHBondContact NH2-OE1 2.77Å; R357-E360 IonicContact NH2-OE2 3.58Å; R357-E360 WeakPolarHBondContact O-CB 3.28Å; R357-E360 PolarHBondContact O-N 3.12Å; E360-T363 WeakPolarHBondContact O-CG2 3.31Å
361	L	98.3	Very high	98.3	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.016	14%	0.137	C	C	.	.	H	α-helix	trans	-92.9	-44.8	-173.3	-69.2	174.3	0	0	0	113.2	P256 L354 R357 T363 E382 Q383 C386	P256-L361 WeakPolarHBondContact CB-O 3.36Å; P256-L361 HydrophobicContact CG-CD2 4.46Å; P256-L361 WeakPolarHBondContact CG-O 3.39Å; L354-L361 HydrophobicContact CD1-CD1 4.07Å; R357-L361 HydrophobicContact CB-CD1 4Å; R357-L361 HydrophobicContact CB-CG 4.25Å; R357-L361 PolarHBondContact O-N 2.8Å; L361-T363 PolarHBondContact O-N 3.1Å; L361-E382 HydrophobicContact CD1-CG 4.05Å; L361-E382 HydrophobicContact CD2-CG 4.12Å; L361-Q383 HydrophobicContact CB-CG 4.49Å; L361-Q383 VanDerWaalsContact O-CG 3.32Å; L361-Q383 WeakPolarHBondContact O-CG 3.33Å; L361-Q383 PolarHBondContact O-NE2 3.02Å; L361-C386 HydrophobicContact CB-CB 4.42Å; L361-C386 HydrophobicContact CD1-CB 3.67Å
362	C	98.5	Very high	98.1	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.007	15%	0.152	C	C	.	.			trans	-100.1	63	-176.7	-60.8	0	0	0	0	110.1	F261 M272 A358 K364	F261-C362 WeakPolarHBondContact CD2-O 3.45Å; F261-C362 WeakPolarHBondContact CE2-O 3.27Å; M272-C362 HydrophobicContact CE-CB 3.64Å; A358-C362 WeakPolarHBondContact O-CA 3.47Å; A358-C362 WeakPolarHBondContact O-CB 3.35Å; A358-C362 PolarHBondContact O-N 2.78Å; C362-K364 PolarHBondContact O-N 2.89Å
363	T	98.6	Very high	97.9	Very high	2 Å²	2	33.7 Å²	33.7	1%	0.012	17%	0.166	C	C	.	.			trans	-74.6	-19.5	-171.6	50.9	0	0	0	0	115.3	P256 P258 L262 S359 E360 L361	P256-T363 HydrophobicContact CB-CG2 4.1Å; P256-T363 WeakPolarHBondContact CB-OG1 3.4Å; P258-T363 WeakPolarHBondContact O-CB 3.34Å; P258-T363 PolarHBondContact O-OG1 3.03Å; L262-T363 PolarHBondContact N-O 2.95Å; S359-T363 WeakPolarHBondContact O-CG2 3.28Å; E360-T363 WeakPolarHBondContact O-CG2 3.31Å; L361-T363 PolarHBondContact O-N 3.1Å
364	K	98.4	Very high	97.8	Very high	31 Å²	31	32.3 Å²	32.3	14%	0.135	17%	0.167	C	C	.	.	S	Bend	trans	-99.5	143.3	174.8	-170.2	177.5	-79.7	-177.2	0	110.1	D234 T240 V241 M242 Y257 C362 I366	D234-K364 IonicContact OD2-NZ 3.77Å; D234-K364 PolarHBondContact OD2-NZ 2.82Å; T240-K364 HydrophobicContact CG2-CD 3.84Å; V241-K364 PolarHBondContact O-NZ 2.86Å; M242-K364 HydrophobicContact CE-CB 3.98Å; M242-K364 WeakPolarHBondContact CE-O 3.34Å; Y257-K364 WeakPolarHBondContact O-CB 3.25Å; Y257-K364 WeakPolarHBondContact O-CE 3.2Å; C362-K364 PolarHBondContact O-N 2.89Å; K364-I366 PolarHBondContact O-N 2.96Å
365	P	98.4	Very high	97.8	Very high	20 Å²	20	32.1 Å²	32.1	13%	0.13	17%	0.166	C	C	.	.			trans	-50.7	132	164.4	-30.7	38.6	0	0	0	111.7	L262 T264 H269 P367	L262-P365 HydrophobicContact CB-CG 4.5Å; T264-P365 HydrophobicContact CG2-CB 3.88Å; T264-P365 HydrophobicContact CG2-CG 3.38Å; T264-P365 WeakPolarHBondContact OG1-CB 3.44Å; H269-P365 HydrophobicContact CB-CB 4.4Å; H269-P365 VanDerWaalsContact CD2-CB 3.42Å; H269-P365 WeakPolarHBondContact CD2-CB 3.4Å; P365-P367 WeakPolarHBondContact O-CD 3.37Å
366	I	98.7	Very high	97.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.175	C	C	.	.			trans	-90.2	113.9	173.7	-56.8	166.1	0	0	0	106.6	M242 H269 V270 M272 K364 I377 M379 L387 L523 F524	M242-I366 HydrophobicContact CE-CD1 4.34Å; M242-I366 HydrophobicContact CE-CG1 3.46Å; M242-I366 VanDerWaalsContact CE-CG1 3.46Å; M242-I366 HydrophobicContact SD-CG1 3.85Å; H269-I366 CarbonylContact C-O 3.1Å; H269-I366 VanDerWaalsContact CA-O 3.3Å; H269-I366 WeakPolarHBondContact CA-O 3.42Å; V270-I366 HydrophobicContact CB-CB 4.06Å; V270-I366 HydrophobicContact CG2-CB 3.77Å; V270-I366 HydrophobicContact CG2-CG2 3.79Å; V270-I366 PolarHBondContact N-O 2.91Å; M272-I366 HydrophobicContact SD-CD1 4.13Å; K364-I366 PolarHBondContact O-N 2.96Å; I366-I377 HydrophobicContact CG2-CD1 4.13Å; I366-M379 HydrophobicContact CD1-CE 4.25Å; I366-M379 HydrophobicContact CG1-CE 4.4Å; I366-M379 HydrophobicContact CG2-CE 4.38Å; I366-L387 HydrophobicContact CD1-CD1 3.73Å; I366-L387 HydrophobicContact CD1-CD2 3.97Å; I366-L523 HydrophobicContact CD1-CD2 4.5Å; I366-F524 HydrophobicContact CG2-CB 4.12Å; I366-F524 HydrophobicContact CG2-CD1 3.74Å; I366-F524 HydrophobicContact CG2-CE1 4.46Å; I366-F524 HydrophobicContact CG2-CG 4.11Å
367	P	98.5	Very high	97.8	Very high	16 Å²	16	32.2 Å²	32.2	10%	0.104	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-68.2	150.7	176.8	29.9	-35.4	0	0	0	110.3	T240 P365 I377	T240-P367 HydrophobicContact CG2-CG 4.31Å; T240-P367 WeakPolarHBondContact OG1-CG 3.39Å; P365-P367 WeakPolarHBondContact O-CD 3.37Å; P367-I377 HydrophobicContact CG-CD1 3.89Å; P367-I377 HydrophobicContact CG-CG1 3.99Å; P367-I377 WeakPolarHBondContact O-CD1 3.28Å
368	L	98.7	Very high	97.9	Very high	5 Å²	5	29.7 Å²	29.7	3%	0.026	16%	0.159	C	C	.	.			trans	-81.5	124.4	169.8	-60.5	176.4	0	0	0	108.9	D267 V268 V270 K370 Y406 Y409 F524	D267-L368 WeakPolarHBondContact O-CD1 3.42Å; V268-L368 WeakPolarHBondContact O-CB 3.34Å; V268-L368 WeakPolarHBondContact O-CG 3.37Å; V268-L368 PolarHBondContact O-N 3.47Å; V270-L368 HydrophobicContact CG2-CD2 3.77Å; L368-K370 HydrophobicContact CB-CG 4.09Å; L368-K370 PolarHBondContact O-N 2.85Å; L368-Y406 HydrophobicContact CD1-CE1 3.9Å; L368-Y406 HydrophobicContact CD2-CE1 4.18Å; L368-Y409 HydrophobicContact CB-CE1 4.41Å; L368-Y409 WeakPolarHBondContact CB-OH 3.46Å; L368-Y409 HydrophobicContact CD2-CE1 4.07Å; L368-F524 CarbonylContact C-O 3.57Å; L368-F524 WeakPolarHBondContact CA-O 3.3Å; L368-F524 HydrophobicContact CD2-CB 4.23Å
369	L	98.5	Very high	97.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-73.9	77.7	168	-59.9	179.7	0	0	0	108.3	H375 I377 F450 R452 F524 E526 L534	L369-H375 HydrophobicContact CD2-CB 3.86Å; L369-H375 WeakPolarHBondContact CD2-O 3.37Å; L369-I377 HydrophobicContact CD1-CD1 4.21Å; L369-I377 HydrophobicContact CD2-CD1 3.98Å; L369-I377 HydrophobicContact CD2-CG1 4.09Å; L369-I377 HydrophobicContact CG-CD1 3.87Å; L369-I377 HydrophobicContact CG-CG1 4.44Å; L369-F450 HydrophobicContact CD1-CB 4.45Å; L369-R452 HydrophobicContact CB-CB 4.07Å; L369-R452 HydrophobicContact CD1-CB 4.2Å; L369-R452 HydrophobicContact CD2-CB 4.41Å; L369-R452 HydrophobicContact CG-CB 4.46Å; L369-R452 PolarHBondContact O-NH1 2.89Å; L369-F524 HydrophobicContact CD1-CD2 3.85Å; L369-F524 HydrophobicContact CD1-CE2 4Å; L369-F524 HydrophobicContact CG-CD2 4.11Å; L369-F524 PolarHBondContact N-O 3.39Å; L369-E526 PolarHBondContact O-N 3.05Å; L369-E526 VanDerWaalsContact O-N 3.07Å; L369-L534 HydrophobicContact CD1-CD1 4.12Å
370	K	97.7	Very high	98	Very high	49 Å²	49	27.5 Å²	27.5	21%	0.213	14%	0.144	C	C	.	.			trans	-70.8	158.4	179.3	-66.4	-176.8	174.1	-175.9	0	111.9	D267 L368 M373 Y409 R452 E526	D267-K370 WeakPolarHBondContact O-CE 3.33Å; D267-K370 PolarHBondContact O-NZ 3.1Å; D267-K370 IonicContact OD2-NZ 3.07Å; D267-K370 PolarHBondContact OD2-NZ 2.59Å; L368-K370 HydrophobicContact CB-CG 4.09Å; L368-K370 PolarHBondContact O-N 2.85Å; K370-M373 HydrophobicContact CB-CG 4.3Å; K370-M373 HydrophobicContact CB-SD 3.69Å; K370-M373 HydrophobicContact CG-SD 4.35Å; K370-M373 WeakPolarHBondContact O-CB 3.45Å; K370-M373 WeakPolarHBondContact O-CG 3.44Å; K370-M373 PolarHBondContact O-N 2.8Å; K370-Y409 WeakPolarHBondContact CG-OH 3.44Å; K370-R452 VanDerWaalsContact O-CD 3.23Å; K370-R452 WeakPolarHBondContact O-CD 3.23Å; K370-R452 PolarHBondContact O-NE 3.25Å; K370-R452 VanDerWaalsContact O-NE 3.17Å; K370-E526 VanDerWaalsContact CA-OE2 3.3Å; K370-E526 WeakPolarHBondContact CA-OE2 3.27Å; K370-E526 WeakPolarHBondContact CB-OE2 3.38Å
371	R	96.8	Very high	98	Very high	142 Å²	142	22.4 Å²	22.4	54%	0.536	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	136.6	171.7	178.3	179	175.8	-163.4	5.8	110.9	E526 D529	R371-E526 PolarHBondContact N-OE2 2.89Å; R371-D529 HydrophobicContact CG-CB 4.15Å; R371-D529 IonicContact CZ-OD1 3.25Å; R371-D529 IonicContact CZ-OD2 2.95Å; R371-D529 IonicContact NE-OD1 3.66Å; R371-D529 IonicContact NE-OD2 3.85Å; R371-D529 PolarHBondContact NE-OD2 3.07Å; R371-D529 IonicContact NH2-OD1 2.78Å; R371-D529 PolarHBondContact NH2-OD1 3.19Å; R371-D529 IonicContact NH2-OD2 2.66Å; R371-D529 PolarHBondContact NH2-OD2 3.37Å
372	G	95.3	Very high	98	Very high	30 Å²	30	22.7 Å²	22.7	31%	0.309	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	-7.8	179.8	0	0	0	0	0	114.6	R454 E532	G372-R454 WeakPolarHBondContact O-CD 3.37Å; G372-R454 PolarHBondContact O-NH1 3.47Å; G372-E532 PolarHBondContact N-OE1 2.96Å
373	M	94.1	Very high	98	Very high	66 Å²	66	22.7 Å²	22.7	33%	0.325	12%	0.121	S	C	.	.			trans	-91.9	140	-179.6	-61	178.3	67.2	0	0	112.6	K370 H375 R452	K370-M373 HydrophobicContact CB-CG 4.3Å; K370-M373 HydrophobicContact CB-SD 3.69Å; K370-M373 HydrophobicContact CG-SD 4.35Å; K370-M373 WeakPolarHBondContact O-CB 3.45Å; K370-M373 WeakPolarHBondContact O-CG 3.44Å; K370-M373 PolarHBondContact O-N 2.8Å; M373-H375 HydrophobicContact CE-CB 4.13Å; M373-R452 WeakPolarHBondContact O-CD 3.4Å; M373-R452 WeakPolarHBondContact O-CG 3.48Å
374	S	96	Very high	98	Very high	67 Å²	67	22.6 Å²	22.6	47%	0.469	12%	0.121	S	C	.	.			trans	-103.8	105.8	157.9	-69.6	0	0	0	0	108.1	R452 R454	S374-R452 WeakPolarHBondContact CA-O 3.26Å; S374-R454 PolarHBondContact OG-N 3.46Å
375	H	98.1	Very high	98.1	Very high	12 Å²	12	21.1 Å²	21.1	6%	0.056	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	147.9	-175.7	-165.5	91.1	0	0	0	111.7	D237 Q238 T240 L369 M373 R452	D237-H375 VanDerWaalsContact C-CE1 3.47Å; D237-H375 PolarHBondContact O-ND1 3.49Å; Q238-H375 VanDerWaalsContact C-CE1 3.5Å; Q238-H375 PolarHBondContact N-CE1 3Å; Q238-H375 PolarHBondContact N-ND1 3.47Å; Q238-H375 WeakPolarHBondContact O-CA 3.41Å; Q238-H375 PolarHBondContact O-ND1 2.79Å; T240-H375 PolarHBondContact N-NE2 3.31Å; T240-H375 PolarHBondContact OG1-NE2 3.15Å; L369-H375 HydrophobicContact CD2-CB 3.86Å; L369-H375 WeakPolarHBondContact CD2-O 3.37Å; M373-H375 HydrophobicContact CE-CB 4.13Å; H375-R452 PolarHBondContact N-O 3.27Å; H375-R452 VanDerWaalsContact N-O 3.1Å; H375-R452 PolarHBondContact O-N 2.87Å
376	S	98.7	Very high	98.1	Very high	25 Å²	25	20.2 Å²	20.2	18%	0.175	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	144.7	-179.7	-61.1	0	0	0	0	112.8	Q238 H239 T240 F450 S451	Q238-S376 PolarHBondContact O-N 3.24Å; H239-S376 CarbonylContact C-O 3.53Å; H239-S376 WeakPolarHBondContact CA-O 3.46Å; H239-S376 PolarHBondContact CD2-O 2.9Å; T240-S376 PolarHBondContact N-O 2.82Å; S376-F450 CarbonylContact C-O 3.58Å; S376-F450 VanDerWaalsContact CA-O 3.31Å; S376-F450 WeakPolarHBondContact CA-O 3.35Å; S376-S451 WeakPolarHBondContact CB-OG 3.27Å; S376-S451 WeakPolarHBondContact OG-CB 3.47Å; S376-S451 PolarHBondContact OG-OG 3.16Å
377	I	98.9	Very high	98.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.2	171.9	-55.9	171.1	0	0	0	108.1	T240 M242 I366 P367 L369 M379 T449 F450 F524	T240-I377 CarbonylContact O-C 3.54Å; T240-I377 WeakPolarHBondContact O-CA 3.29Å; M242-I377 HydrophobicContact CG-CG2 4.49Å; M242-I377 HydrophobicContact SD-CG2 4.24Å; I366-I377 HydrophobicContact CG2-CD1 4.13Å; P367-I377 HydrophobicContact CG-CD1 3.89Å; P367-I377 HydrophobicContact CG-CG1 3.99Å; P367-I377 WeakPolarHBondContact O-CD1 3.28Å; L369-I377 HydrophobicContact CD1-CD1 4.21Å; L369-I377 HydrophobicContact CD2-CD1 3.98Å; L369-I377 HydrophobicContact CD2-CG1 4.09Å; L369-I377 HydrophobicContact CG-CD1 3.87Å; L369-I377 HydrophobicContact CG-CG1 4.44Å; I377-M379 HydrophobicContact CG2-CE 4.03Å; I377-T449 CarbonylContact O-C 3.45Å; I377-T449 WeakPolarHBondContact O-CA 3.4Å; I377-F450 PolarHBondContact N-O 2.99Å; I377-F450 PolarHBondContact O-N 3.1Å; I377-F524 HydrophobicContact CD1-CD2 3.86Å; I377-F524 HydrophobicContact CD1-CE2 4.15Å; I377-F524 HydrophobicContact CD1-CG 4.14Å
378	T	98.9	Very high	98.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.6	168.7	-64.7	0	0	0	0	110.4	L232 H239 T240 M242 L447 V448 T449	L232-T378 HydrophobicContact CD1-CG2 4.43Å; L232-T378 HydrophobicContact CD2-CG2 4.05Å; H239-T378 PolarHBondContact CE1-OG1 3.42Å; H239-T378 PolarHBondContact NE2-OG1 2.95Å; T240-T378 PolarHBondContact O-N 3.16Å; M242-T378 PolarHBondContact N-O 3.36Å; T378-L447 HydrophobicContact CG2-CB 3.9Å; T378-L447 HydrophobicContact CG2-CD1 3.7Å; T378-L447 HydrophobicContact CG2-CG 4.33Å; T378-V448 WeakPolarHBondContact CA-O 3.42Å; T378-T449 PolarHBondContact OG1-OG1 2.9Å
379	M	98.8	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	162.2	178.5	53	172.9	54.5	0	0	111.1	M242 I366 I377 Q383 V384 L387 L447 V448 F450 V520 F524	M242-M379 HydrophobicContact CB-CB 4.23Å; M242-M379 HydrophobicContact CG-CB 4.28Å; M242-M379 HydrophobicContact SD-CB 3.92Å; M242-M379 HydrophobicContact SD-CE 3.51Å; M242-M379 VanDerWaalsContact SD-CE 3.51Å; I366-M379 HydrophobicContact CD1-CE 4.25Å; I366-M379 HydrophobicContact CG1-CE 4.4Å; I366-M379 HydrophobicContact CG2-CE 4.38Å; I377-M379 HydrophobicContact CG2-CE 4.03Å; M379-Q383 HydrophobicContact CB-CB 4.33Å; M379-V384 HydrophobicContact CG-CG2 3.87Å; M379-V384 HydrophobicContact SD-CG2 3.52Å; M379-V384 VanDerWaalsContact SD-CG2 3.52Å; M379-L387 HydrophobicContact CE-CD1 4.05Å; M379-L387 HydrophobicContact SD-CD1 4.17Å; M379-L447 CarbonylContact O-C 3.35Å; M379-L447 VanDerWaalsContact O-CA 3.32Å; M379-L447 WeakPolarHBondContact O-CA 3.43Å; M379-V448 PolarHBondContact N-O 3.43Å; M379-V448 PolarHBondContact O-N 2.66Å; M379-F450 HydrophobicContact CG-CD2 4.47Å; M379-F450 HydrophobicContact CG-CE2 4.03Å; M379-F450 HydrophobicContact SD-CE2 4.06Å; M379-V520 HydrophobicContact SD-CG1 4.42Å; M379-F524 HydrophobicContact CE-CE1 4.1Å
380	S	98.9	Very high	98.2	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.007	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	154.5	176.2	77.4	0	0	0	0	112.4	E382 Q383 V384 G446	S380-E382 PolarHBondContact O-N 3.37Å; S380-E382 PolarHBondContact OG-N 2.83Å; S380-Q383 WeakPolarHBondContact O-CB 3.31Å; S380-Q383 PolarHBondContact O-N 2.99Å; S380-Q383 VanDerWaalsContact O-N 3.11Å; S380-Q383 WeakPolarHBondContact OG-CG 3.19Å; S380-Q383 PolarHBondContact OG-N 2.89Å; S380-V384 WeakPolarHBondContact O-CG2 3.3Å; S380-V384 PolarHBondContact O-N 2.8Å; S380-G446 WeakPolarHBondContact CA-O 3.34Å
381	Q	98.9	Very high	98.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.7	-29.1	172.8	-65.9	-174.1	-92.1	0	0	112	A385 P444 G446 V448 E517 Y542 R564	Q381-A385 WeakPolarHBondContact O-CB 3.49Å; Q381-A385 PolarHBondContact O-N 3.43Å; Q381-P444 HydrophobicContact CB-CB 3.51Å; Q381-P444 HydrophobicContact CB-CG 3.44Å; Q381-P444 VanDerWaalsContact CB-CG 3.44Å; Q381-P444 HydrophobicContact CG-CB 4.39Å; Q381-G446 PolarHBondContact N-O 3.38Å; Q381-G446 VanDerWaalsContact OE1-CA 3.22Å; Q381-V448 HydrophobicContact CG-CG2 3.92Å; Q381-E517 VanDerWaalsContact CB-OE1 3.29Å; Q381-E517 WeakPolarHBondContact CB-OE1 3.46Å; Q381-E517 WeakPolarHBondContact CG-OE1 3.42Å; Q381-E517 VanDerWaalsContact NE2-CD 3.33Å; Q381-E517 PolarHBondContact NE2-OE1 3.44Å; Q381-E517 PolarHBondContact NE2-OE2 3.09Å; Q381-E517 VanDerWaalsContact NE2-OE2 3.15Å; Q381-Y542 PolarHBondContact NE2-OH 2.86Å; Q381-R564 VanDerWaalsContact OE1-NH1 3.15Å
382	E	98.8	Very high	98.3	Very high	10 Å²	10	10.7 Å²	10.7	5%	0.047	7%	0.069	C	C	.	.	H	α-helix	trans	-70.8	-37.8	173.3	-166.9	-175.1	-170.9	0	0	111.8	V253 R357 L361 S380 A385 C386 K443	V253-E382 WeakPolarHBondContact CG1-OE2 3.46Å; R357-E382 IonicContact CZ-OE1 2.71Å; R357-E382 IonicContact NH1-OE1 3.19Å; R357-E382 PolarHBondContact NH1-OE1 2.84Å; R357-E382 IonicContact NH2-OE1 3.76Å; R357-E382 PolarHBondContact NH2-OE1 3.5Å; L361-E382 HydrophobicContact CD1-CG 4.05Å; L361-E382 HydrophobicContact CD2-CG 4.12Å; S380-E382 PolarHBondContact O-N 3.37Å; S380-E382 PolarHBondContact OG-N 2.83Å; E382-A385 PolarHBondContact O-N 2.88Å; E382-C386 WeakPolarHBondContact O-CB 3.45Å; E382-C386 PolarHBondContact O-N 3.44Å; E382-K443 WeakPolarHBondContact OE1-CE 3.41Å; E382-K443 IonicContact OE1-NZ 2.77Å; E382-K443 PolarHBondContact OE1-NZ 3.11Å; E382-K443 IonicContact OE2-NZ 2.63Å
383	Q	98.9	Very high	98.4	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-61.8	-46.1	172.2	-76.3	168.2	-30.1	0	0	110.8	M242 L361 M379 S380 A385 C386 L387	M242-Q383 PolarHBondContact O-NE2 3.19Å; L361-Q383 HydrophobicContact CB-CG 4.49Å; L361-Q383 VanDerWaalsContact O-CG 3.32Å; L361-Q383 WeakPolarHBondContact O-CG 3.33Å; L361-Q383 PolarHBondContact O-NE2 3.02Å; M379-Q383 HydrophobicContact CB-CB 4.33Å; S380-Q383 WeakPolarHBondContact O-CB 3.31Å; S380-Q383 PolarHBondContact O-N 2.99Å; S380-Q383 VanDerWaalsContact O-N 3.11Å; S380-Q383 WeakPolarHBondContact OG-CG 3.19Å; S380-Q383 PolarHBondContact OG-N 2.89Å; Q383-A385 PolarHBondContact O-N 2.89Å; Q383-C386 WeakPolarHBondContact O-CB 3.34Å; Q383-C386 PolarHBondContact O-N 3.26Å; Q383-L387 VanDerWaalsContact O-CG 3.32Å; Q383-L387 WeakPolarHBondContact O-CG 3.48Å; Q383-L387 PolarHBondContact O-N 3.01Å
384	V	98.9	Very high	98.6	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-57.6	-47.3	174.5	176.3	0	0	0	0	111.3	M379 S380 C386 L387 L388 F450 E517 V520	M379-V384 HydrophobicContact CG-CG2 3.87Å; M379-V384 HydrophobicContact SD-CG2 3.52Å; M379-V384 VanDerWaalsContact SD-CG2 3.52Å; S380-V384 WeakPolarHBondContact O-CG2 3.3Å; S380-V384 PolarHBondContact O-N 2.8Å; V384-C386 VanDerWaalsContact C-N 3.35Å; V384-C386 PolarHBondContact O-N 2.99Å; V384-L387 PolarHBondContact O-N 2.96Å; V384-L388 HydrophobicContact CG1-CD1 3.87Å; V384-L388 HydrophobicContact CG1-CG 4.33Å; V384-L388 WeakPolarHBondContact O-CG 3.28Å; V384-L388 PolarHBondContact O-N 2.87Å; V384-F450 HydrophobicContact CG2-CE2 4.49Å; V384-E517 HydrophobicContact CG1-CB 3.86Å; V384-E517 HydrophobicContact CG1-CG 3.9Å; V384-V520 HydrophobicContact CG1-CB 4.03Å; V384-V520 HydrophobicContact CG1-CG1 3.93Å; V384-V520 HydrophobicContact CG2-CG1 4.19Å
385	A	98.9	Very high	98.7	Very high	1 Å²	1	3.2 Å²	3.2	1%	0.008	2%	0.018	C	C	.	.	H	α-helix	trans	-61.8	-39.7	179.5	0	0	0	0	0	112.8	L354 Q381 E382 Q383 L388 A389 Y435 V439	L354-A385 HydrophobicContact CD2-CB 3.91Å; Q381-A385 WeakPolarHBondContact O-CB 3.49Å; Q381-A385 PolarHBondContact O-N 3.43Å; E382-A385 PolarHBondContact O-N 2.88Å; Q383-A385 PolarHBondContact O-N 2.89Å; A385-L388 PolarHBondContact O-N 2.84Å; A385-A389 WeakPolarHBondContact O-CB 3.33Å; A385-A389 PolarHBondContact O-N 3.22Å; A385-Y435 VanDerWaalsContact CA-OH 3.31Å; A385-Y435 WeakPolarHBondContact CA-OH 3.47Å; A385-Y435 WeakPolarHBondContact CB-OH 3.36Å; A385-V439 HydrophobicContact CB-CB 4.16Å; A385-V439 HydrophobicContact CB-CG2 3.81Å
386	C	98.9	Very high	98.7	Very high	0 Å²	0	2.7 Å²	2.7	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-61.3	-43.7	173.2	-179.4	0	0	0	0	112.9	L354 A358 L361 E382 Q383 V384 A389 N390	L354-C386 HydrophobicContact CD1-CB 4.1Å; L354-C386 PolarHBondContact O-SG 3.35Å; A358-C386 VanDerWaalsContact CA-SG 3.53Å; L361-C386 HydrophobicContact CB-CB 4.42Å; L361-C386 HydrophobicContact CD1-CB 3.67Å; E382-C386 WeakPolarHBondContact O-CB 3.45Å; E382-C386 PolarHBondContact O-N 3.44Å; Q383-C386 WeakPolarHBondContact O-CB 3.34Å; Q383-C386 PolarHBondContact O-N 3.26Å; V384-C386 VanDerWaalsContact C-N 3.35Å; V384-C386 PolarHBondContact O-N 2.99Å; C386-A389 PolarHBondContact O-N 2.98Å; C386-N390 PolarHBondContact O-N 2.91Å; C386-N390 VanDerWaalsContact O-N 3.09Å; C386-N390 PolarHBondContact O-ND2 3.32Å
387	L	98.9	Very high	98.5	Very high	2 Å²	2	2 Å²	2	1%	0.01	1%	0.011	C	C	.	.	H	α-helix	trans	-66.9	-39	176.6	-65.2	168.5	0	0	0	111.6	M272 I366 M379 Q383 V384 N390 A391 F396 V520 L523	M272-L387 HydrophobicContact CE-CD2 3.92Å; M272-L387 HydrophobicContact SD-CD2 4.17Å; I366-L387 HydrophobicContact CD1-CD1 3.73Å; I366-L387 HydrophobicContact CD1-CD2 3.97Å; M379-L387 HydrophobicContact CE-CD1 4.05Å; M379-L387 HydrophobicContact SD-CD1 4.17Å; Q383-L387 VanDerWaalsContact O-CG 3.32Å; Q383-L387 WeakPolarHBondContact O-CG 3.48Å; Q383-L387 PolarHBondContact O-N 3.01Å; V384-L387 PolarHBondContact O-N 2.96Å; L387-N390 WeakPolarHBondContact O-CB 3.21Å; L387-N390 PolarHBondContact O-N 3.08Å; L387-A391 PolarHBondContact O-N 3.23Å; L387-F396 HydrophobicContact CB-CZ 4.35Å; L387-F396 HydrophobicContact CD2-CE1 4.29Å; L387-F396 HydrophobicContact CD2-CZ 3.93Å; L387-F396 WeakPolarHBondContact O-CE2 3.47Å; L387-V520 HydrophobicContact CB-CG2 3.65Å; L387-V520 HydrophobicContact CD1-CG2 3.74Å; L387-V520 HydrophobicContact CG-CG2 4.36Å; L387-L523 HydrophobicContact CB-CD2 4.38Å; L387-L523 HydrophobicContact CD1-CD2 4.18Å; L387-L523 HydrophobicContact CD2-CD2 3.88Å; L387-L523 HydrophobicContact CG-CD2 4.37Å
388	L	98.9	Very high	98.1	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.01	4%	0.036	C	C	.	.	H	α-helix	trans	-72.3	-32.5	177.1	-68	177.1	0	0	0	113	V384 A385 A391 F392 F414 Y435 F436 P516 I519 V520	V384-L388 HydrophobicContact CG1-CD1 3.87Å; V384-L388 HydrophobicContact CG1-CG 4.33Å; V384-L388 WeakPolarHBondContact O-CG 3.28Å; V384-L388 PolarHBondContact O-N 2.87Å; A385-L388 PolarHBondContact O-N 2.84Å; L388-A391 WeakPolarHBondContact O-CB 3.25Å; L388-A391 PolarHBondContact O-N 3.38Å; L388-F392 PolarHBondContact O-N 3.37Å; L388-F414 HydrophobicContact CD2-CZ 4.47Å; L388-Y435 HydrophobicContact CB-CE1 4.4Å; L388-Y435 HydrophobicContact CD1-CE1 3.81Å; L388-F436 HydrophobicContact CB-CE1 4.15Å; L388-F436 HydrophobicContact CB-CZ 4.18Å; L388-P516 HydrophobicContact CD1-CB 4.43Å; L388-P516 VanDerWaalsContact CD1-O 3.23Å; L388-P516 WeakPolarHBondContact CD1-O 3.45Å; L388-I519 HydrophobicContact CD2-CB 3.82Å; L388-I519 HydrophobicContact CD2-CG2 3.78Å; L388-V520 HydrophobicContact CD2-CB 4.17Å; L388-V520 HydrophobicContact CG-CB 4.38Å
389	A	98.9	Very high	97.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63.9	-43.2	170.5	0	0	0	0	0	110.8	L354 A355 A385 C386 A391 F392 F393 F436	L354-A389 HydrophobicContact CD2-CB 4.34Å; L354-A389 HydrophobicContact CG-CB 4.26Å; A355-A389 HydrophobicContact CB-CB 3.85Å; A385-A389 WeakPolarHBondContact O-CB 3.33Å; A385-A389 PolarHBondContact O-N 3.22Å; C386-A389 PolarHBondContact O-N 2.98Å; A389-A391 VanDerWaalsContact C-N 3.32Å; A389-A391 PolarHBondContact O-N 3.42Å; A389-F392 WeakPolarHBondContact O-CB 3.18Å; A389-F392 PolarHBondContact O-N 3.21Å; A389-F393 WeakPolarHBondContact O-CD2 3.43Å; A389-F393 PolarHBondContact O-N 2.84Å; A389-F436 HydrophobicContact CB-CE1 4.22Å
390	N	98.9	Very high	97.2	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.011	5%	0.047	C	C	.	.	H	α-helix	trans	-59.7	-39.2	171	-86.8	-81.8	0	0	0	112.8	P273 A355 C386 L387 F393 C394 T395 F396	P273-N390 WeakPolarHBondContact CG-OD1 3.35Å; A355-N390 WeakPolarHBondContact CA-ND2 3.4Å; A355-N390 PolarHBondContact O-ND2 3.08Å; C386-N390 PolarHBondContact O-N 2.91Å; C386-N390 VanDerWaalsContact O-N 3.09Å; C386-N390 PolarHBondContact O-ND2 3.32Å; L387-N390 WeakPolarHBondContact O-CB 3.21Å; L387-N390 PolarHBondContact O-N 3.08Å; N390-F393 CarbonylContact O-C 3.49Å; N390-C394 PolarHBondContact O-N 3.22Å; N390-T395 VanDerWaalsContact CB-OG1 3.27Å; N390-T395 WeakPolarHBondContact CB-OG1 3.49Å; N390-T395 PolarHBondContact O-N 3.3Å; N390-T395 PolarHBondContact O-OG1 3.11Å; N390-T395 PolarHBondContact OD1-OG1 3.49Å; N390-F396 HydrophobicContact CB-CE2 3.84Å; N390-F396 HydrophobicContact CB-CZ 3.96Å
391	A	98.8	Very high	96	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-65.2	-38.9	174.6	0	0	0	0	0	112.6	L387 L388 A389 C394 F396 I412 F414	L387-A391 PolarHBondContact O-N 3.23Å; L388-A391 WeakPolarHBondContact O-CB 3.25Å; L388-A391 PolarHBondContact O-N 3.38Å; A389-A391 VanDerWaalsContact C-N 3.32Å; A389-A391 PolarHBondContact O-N 3.42Å; A391-C394 PolarHBondContact O-N 2.98Å; A391-C394 VanDerWaalsContact O-N 3.12Å; A391-F396 HydrophobicContact CB-CD2 4.36Å; A391-F396 HydrophobicContact CB-CE2 4.04Å; A391-I412 HydrophobicContact CB-CD1 4.17Å; A391-I412 HydrophobicContact CB-CG1 4.1Å; A391-F414 HydrophobicContact CB-CD1 3.84Å; A391-F414 HydrophobicContact CB-CE1 3.59Å; A391-F414 HydrophobicContact CB-CZ 4.33Å; A391-F414 PolarHBondContact O-N 2.77Å
392	F	98.7	Very high	94.3	Very high	6 Å²	6	21.6 Å²	21.6	3%	0.026	10%	0.096	C	C	.	.	H	α-helix	trans	-60.3	-51.8	174.4	-178.1	-87.9	0	0	0	111.3	L307 L348 M351 L388 A389 C394 F414 F418 M433 F436	L307-F392 HydrophobicContact CD2-CE1 4.47Å; L348-F392 HydrophobicContact CD1-CE1 4Å; M351-F392 HydrophobicContact CE-CB 4.19Å; M351-F392 HydrophobicContact CE-CD1 3.51Å; M351-F392 HydrophobicContact CE-CD2 3.89Å; M351-F392 HydrophobicContact CE-CE1 3.78Å; M351-F392 HydrophobicContact CE-CE2 4.15Å; M351-F392 HydrophobicContact CE-CG 3.58Å; M351-F392 HydrophobicContact CE-CZ 4.11Å; L388-F392 PolarHBondContact O-N 3.37Å; A389-F392 WeakPolarHBondContact O-CB 3.18Å; A389-F392 PolarHBondContact O-N 3.21Å; F392-C394 PolarHBondContact O-N 3.14Å; F392-C394 VanDerWaalsContact O-N 3.15Å; F392-C394 PolarHBondContact O-SG 3.14Å; F392-F414 HydrophobicContact CB-CD2 4.09Å; F392-F414 HydrophobicContact CB-CE2 4.41Å; F392-F414 AromaticContact CD2-CD2 3.89Å; F392-F414 HydrophobicContact CD2-CD2 3.89Å; F392-F414 HydrophobicContact CD2-CE2 4.42Å; F392-F414 HydrophobicContact CG-CD2 4.44Å; F392-F418 HydrophobicContact CD2-CE1 4.22Å; F392-F418 HydrophobicContact CD2-CZ 4.06Å; F392-F418 AromaticContact CE2-CE1 3.78Å; F392-F418 HydrophobicContact CE2-CE1 3.78Å; F392-F418 AromaticContact CE2-CZ 3.93Å; F392-F418 HydrophobicContact CE2-CZ 3.93Å; F392-F418 HydrophobicContact CG-CZ 4.41Å; F392-F418 HydrophobicContact CZ-CE1 4.21Å; F392-F418 HydrophobicContact CZ-CZ 4.19Å; F392-F418 WeakPolarHBondContact O-CZ 3.45Å; F392-M433 HydrophobicContact CE2-CE 3.67Å; F392-M433 HydrophobicContact CZ-CE 3.74Å; F392-F436 HydrophobicContact CB-CE2 4.29Å; F392-F436 HydrophobicContact CB-CZ 4.06Å; F392-F436 HydrophobicContact CD2-CE2 4.03Å; F392-F436 HydrophobicContact CG-CE2 4.4Å
393	F	98.4	Very high	92.7	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.7	3.5	174.7	-62.3	-66.4	0	0	0	113.8	L297 L307 Y314 L348 M351 V352 A355 A389 N390 T395	L297-F393 HydrophobicContact CD1-CB 4.07Å; L297-F393 HydrophobicContact CD1-CD1 4.48Å; L297-F393 HydrophobicContact CD1-CD2 4.33Å; L297-F393 HydrophobicContact CD1-CG 4.05Å; L297-F393 HydrophobicContact CD2-CD1 3.87Å; L297-F393 HydrophobicContact CD2-CE1 4.34Å; L297-F393 HydrophobicContact CD2-CG 4.25Å; L307-F393 HydrophobicContact CD1-CD1 4.02Å; L307-F393 HydrophobicContact CD1-CE1 3.8Å; Y314-F393 WeakPolarHBondContact CE2-O 3.23Å; Y314-F393 PolarHBondContact OH-O 2.79Å; L348-F393 HydrophobicContact CD1-CE1 3.77Å; L348-F393 HydrophobicContact CD1-CZ 3.76Å; L348-F393 HydrophobicContact CG-CZ 4.48Å; M351-F393 HydrophobicContact CB-CE2 3.97Å; M351-F393 HydrophobicContact CB-CZ 4.05Å; V352-F393 HydrophobicContact CB-CZ 4.44Å; V352-F393 HydrophobicContact CG2-CE1 3.96Å; V352-F393 HydrophobicContact CG2-CE2 3.97Å; V352-F393 HydrophobicContact CG2-CZ 3.48Å; V352-F393 VanDerWaalsContact CG2-CZ 3.48Å; A355-F393 HydrophobicContact CB-CD2 3.93Å; A355-F393 HydrophobicContact CB-CE2 4.25Å; A389-F393 WeakPolarHBondContact O-CD2 3.43Å; A389-F393 PolarHBondContact O-N 2.84Å; N390-F393 CarbonylContact O-C 3.49Å; F393-T395 VanDerWaalsContact C-N 3.29Å; F393-T395 HydrophobicContact CB-CG2 3.94Å; F393-T395 PolarHBondContact O-N 3.03Å
394	C	97.7	Very high	91.3	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.014	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	31.3	174.8	-57.6	0	0	0	0	114.9	V311 W322 N390 A391 F392 F396 N413 F414 F415	V311-C394 HydrophobicContact CG1-CB 4.01Å; W322-C394 HydrophobicContact CH2-CB 3.94Å; W322-C394 HydrophobicContact CZ3-CB 3.86Å; N390-C394 PolarHBondContact O-N 3.22Å; A391-C394 PolarHBondContact O-N 2.98Å; A391-C394 VanDerWaalsContact O-N 3.12Å; F392-C394 PolarHBondContact O-N 3.14Å; F392-C394 VanDerWaalsContact O-N 3.15Å; F392-C394 PolarHBondContact O-SG 3.14Å; C394-F396 PolarHBondContact O-N 3.05Å; C394-N413 WeakPolarHBondContact CA-OD1 3.43Å; C394-N413 HydrophobicContact CB-CB 3.87Å; C394-N413 PolarHBondContact O-ND2 3.37Å; C394-F414 PolarHBondContact SG-N 3.47Å; C394-F414 VanDerWaalsContact SG-N 3.44Å; C394-F415 PolarHBondContact SG-N 2.94Å
395	T	97.9	Very high	90.7	Very high	4 Å²	4	37.2 Å²	37.2	3%	0.025	17%	0.169	C	C	.	.			trans	-76.9	-20.6	-171.1	64.2	0	0	0	0	114	I293 L297 Y314 N390 F393 P397	I293-T395 HydrophobicContact CD1-CG2 4.34Å; I293-T395 HydrophobicContact CG2-CG2 3.99Å; L297-T395 HydrophobicContact CD1-CG2 4.48Å; Y314-T395 HydrophobicContact CE2-CG2 4.31Å; N390-T395 VanDerWaalsContact CB-OG1 3.27Å; N390-T395 WeakPolarHBondContact CB-OG1 3.49Å; N390-T395 PolarHBondContact O-N 3.3Å; N390-T395 PolarHBondContact O-OG1 3.11Å; N390-T395 PolarHBondContact OD1-OG1 3.49Å; F393-T395 VanDerWaalsContact C-N 3.29Å; F393-T395 HydrophobicContact CB-CG2 3.94Å; F393-T395 PolarHBondContact O-N 3.03Å; T395-P397 WeakPolarHBondContact O-CD 3.48Å
396	F	97.4	Very high	90.5	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	17%	0.171	C	C	.	.			trans	-64.3	118.5	-172.9	-72.1	-73.7	0	0	0	112.1	V270 P273 L387 N390 A391 C394 R399 I412 N413 L523	V270-F396 HydrophobicContact CG1-CE1 4.42Å; P273-F396 HydrophobicContact CG-CE1 4.44Å; L387-F396 HydrophobicContact CB-CZ 4.35Å; L387-F396 HydrophobicContact CD2-CE1 4.29Å; L387-F396 HydrophobicContact CD2-CZ 3.93Å; L387-F396 WeakPolarHBondContact O-CE2 3.47Å; N390-F396 HydrophobicContact CB-CE2 3.84Å; N390-F396 HydrophobicContact CB-CZ 3.96Å; A391-F396 HydrophobicContact CB-CD2 4.36Å; A391-F396 HydrophobicContact CB-CE2 4.04Å; C394-F396 PolarHBondContact O-N 3.05Å; F396-R399 HydrophobicContact CB-CB 4.41Å; F396-R399 HydrophobicContact CB-CG 3.96Å; F396-I412 HydrophobicContact CB-CG2 4.29Å; F396-I412 HydrophobicContact CD2-CG1 4.15Å; F396-I412 HydrophobicContact CD2-CG2 4.26Å; F396-I412 HydrophobicContact CE2-CG1 4.28Å; F396-I412 HydrophobicContact CG-CG2 4.46Å; F396-N413 WeakPolarHBondContact CB-OD1 3.33Å; F396-N413 PolarHBondContact N-OD1 2.88Å; F396-N413 PolarHBondContact O-ND2 3.32Å; F396-L523 HydrophobicContact CD1-CD1 3.56Å; F396-L523 HydrophobicContact CD2-CD1 4.12Å; F396-L523 HydrophobicContact CE1-CD1 3.5Å; F396-L523 VanDerWaalsContact CE1-CD1 3.5Å; F396-L523 HydrophobicContact CE1-CD2 3.76Å; F396-L523 HydrophobicContact CE1-CG 4.29Å; F396-L523 HydrophobicContact CE2-CD1 4.05Å; F396-L523 HydrophobicContact CE2-CD2 4.42Å; F396-L523 HydrophobicContact CG-CD1 3.89Å; F396-L523 HydrophobicContact CZ-CD1 3.76Å; F396-L523 HydrophobicContact CZ-CD2 3.63Å; F396-L523 HydrophobicContact CZ-CG 4.36Å
397	P	94.5	Very high	90.2	Very high	11 Å²	11	41.4 Å²	41.4	7%	0.071	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	157.3	-177.9	30.5	-35.6	0	0	0	111.5	W265 K271 N278 T395 R399	W265-P397 HydrophobicContact CH2-CB 3.95Å; W265-P397 HydrophobicContact CH2-CG 3.56Å; W265-P397 HydrophobicContact CZ3-CG 3.83Å; K271-P397 HydrophobicContact CB-CG 4.33Å; K271-P397 WeakPolarHBondContact O-CD 3.26Å; K271-P397 WeakPolarHBondContact O-CG 3.5Å; N278-P397 WeakPolarHBondContact OD1-CB 3.48Å; T395-P397 WeakPolarHBondContact O-CD 3.48Å; P397-R399 WeakPolarHBondContact O-CG 3.27Å; P397-R399 PolarHBondContact O-N 3.02Å
398	R	91.8	Very high	90	Very high	136 Å²	136	43.6 Å²	43.6	51%	0.513	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.3	-4.6	179.8	-47.1	-61.5	172.6	-177.6	-3.2	116.3	Y406	R398-Y406 HydrophobicContact CB-CD2 3.87Å; R398-Y406 HydrophobicContact CB-CE2 3.96Å
399	R	91.9	Very high	89.9	Confident	17 Å²	17	44.2 Å²	44.2	6%	0.064	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	4	-178.2	-56.6	-54.1	-69.5	-93.6	-7.6	116.1	F396 P397 Y406 P410 I412 R522 L523	F396-R399 HydrophobicContact CB-CB 4.41Å; F396-R399 HydrophobicContact CB-CG 3.96Å; P397-R399 WeakPolarHBondContact O-CG 3.27Å; P397-R399 PolarHBondContact O-N 3.02Å; R399-Y406 VanDerWaalsContact CD-CG 3.45Å; R399-P410 PolarHBondContact NH2-O 2.66Å; R399-I412 HydrophobicContact CB-CG2 3.78Å; R399-I412 HydrophobicContact CG-CG2 3.69Å; R399-R522 PolarHBondContact NH2-O 2.78Å; R399-L523 PolarHBondContact NH1-O 3.37Å
400	N	85.4	Confident	89.8	Confident	33 Å²	33	44.4 Å²	44.4	18%	0.176	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	4.1	-172.4	-61.3	-27	0	0	0	114.2	W322 N413	W322-N400 HydrophobicContact CZ2-CB 4.02Å; N400-N413 PolarHBondContact OD1-ND2 2.81Å
401	S	74.9	Confident	89.6	Confident	53 Å²	53	45.4 Å²	45.4	37%	0.371	22%	0.217	S	C	.	.			trans	-140.3	130.7	-179	179.8	0	0	0	0	111.7	K403 T404	S401-K403 PolarHBondContact O-N 2.77Å; S401-K403 PolarHBondContact OG-N 3.35Å; S401-T404 PolarHBondContact O-OG1 2.82Å
402	R	63.8	Low	89.6	Confident	173 Å²	173	45.5 Å²	45.5	65%	0.653	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.1	7	176.6	-63.9	-175.6	175.1	-161.1	-6.1	114.3	D411	R402-D411 IonicContact CZ-OD1 2.77Å; R402-D411 IonicContact CZ-OD2 2.68Å; R402-D411 IonicContact NE-OD1 3.62Å; R402-D411 PolarHBondContact NE-OD1 2.94Å; R402-D411 IonicContact NH2-OD1 3.86Å; R402-D411 PolarHBondContact NH2-OD1 2.79Å; R402-D411 IonicContact NH2-OD2 3.5Å; R402-D411 PolarHBondContact NH2-OD2 3.37Å
403	K	64.8	Low	89.5	Confident	199 Å²	199	45.2 Å²	45.2	87%	0.865	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.8	17	-179.7	-61.6	-169.6	176.6	-170.7	0	113.4	S401	S401-K403 PolarHBondContact O-N 2.77Å; S401-K403 PolarHBondContact OG-N 3.35Å
404	T	68.1	Low	89.5	Confident	54 Å²	54	45.3 Å²	45.3	33%	0.331	22%	0.216	S	C	.	.	S	Bend	trans	-134.9	172.5	-169.4	52.5	0	0	0	0	111.5	S401 Y406 C407	S401-T404 PolarHBondContact O-OG1 2.82Å; T404-Y406 PolarHBondContact O-N 2.83Å; T404-C407 WeakPolarHBondContact O-CB 3.26Å; T404-C407 PolarHBondContact O-N 2.83Å
405	E	87.8	Confident	89.3	Confident	85 Å²	85	46.4 Å²	46.4	40%	0.397	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-15.3	-52.2	170.2	-175.4	166.2	-134.1	0	0	117.5	K271 C407 N408	K271-E405 IonicContact NZ-OE1 4Å; K271-E405 PolarHBondContact NZ-OE1 3.38Å; K271-E405 IonicContact NZ-OE2 2.79Å; K271-E405 PolarHBondContact NZ-OE2 3.12Å; E405-C407 PolarHBondContact O-N 3.13Å; E405-N408 PolarHBondContact O-OD1 2.97Å
406	Y	93.3	Very high	89.2	Confident	12 Å²	12	49.8 Å²	49.8	5%	0.047	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	27.7	-177.6	-64.6	-79.3	0	0	0	114.8	H269 K271 L368 R398 R399 T404 N408 Y409	H269-Y406 PolarHBondContact O-OH 2.94Å; K271-Y406 HydrophobicContact CD-CE2 4.35Å; K271-Y406 WeakPolarHBondContact CG-OH 3.47Å; K271-Y406 PolarHBondContact N-OH 2.81Å; L368-Y406 HydrophobicContact CD1-CE1 3.9Å; L368-Y406 HydrophobicContact CD2-CE1 4.18Å; R398-Y406 HydrophobicContact CB-CD2 3.87Å; R398-Y406 HydrophobicContact CB-CE2 3.96Å; R399-Y406 VanDerWaalsContact CD-CG 3.45Å; T404-Y406 PolarHBondContact O-N 2.83Å; Y406-N408 PolarHBondContact O-N 2.72Å; Y406-Y409 AromaticContact CD1-CD2 3.64Å; Y406-Y409 HydrophobicContact CD1-CD2 3.64Å; Y406-Y409 HydrophobicContact CD1-CE2 4.02Å; Y406-Y409 AromaticContact CD1-CG 3.95Å; Y406-Y409 HydrophobicContact CD1-CG 3.95Å; Y406-Y409 HydrophobicContact CG-CD2 4.4Å; Y406-Y409 PolarHBondContact O-N 3.18Å; Y406-Y409 VanDerWaalsContact O-N 3.09Å
407	C	93.1	Very high	89.2	Confident	76 Å²	76	49.7 Å²	49.7	51%	0.514	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-20.7	-177	62.8	0	0	0	0	114.5	T404 E405	T404-C407 WeakPolarHBondContact O-CB 3.26Å; T404-C407 PolarHBondContact O-N 2.83Å; E405-C407 PolarHBondContact O-N 3.13Å
408	N	94.9	Very high	89.3	Confident	49 Å²	49	49.2 Å²	49.2	26%	0.262	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.1	3.6	174.9	52.7	-15.5	0	0	0	113.4	E405 Y406 E526 A527	E405-N408 PolarHBondContact O-OD1 2.97Å; Y406-N408 PolarHBondContact O-N 2.72Å; N408-E526 HydrophobicContact CB-CG 3.88Å; N408-E526 PolarHBondContact ND2-OE1 3.41Å; N408-A527 WeakPolarHBondContact O-CB 3.38Å; N408-A527 PolarHBondContact O-N 3.48Å
409	Y	97	Very high	89.5	Confident	14 Å²	14	45.7 Å²	45.7	6%	0.055	22%	0.219	C	C	.	.	S	Bend	trans	-107.4	154.3	174.5	-69.9	-100.7	0	0	0	111.5	L368 K370 Y406 F524 T525 E526	L368-Y409 HydrophobicContact CB-CE1 4.41Å; L368-Y409 WeakPolarHBondContact CB-OH 3.46Å; L368-Y409 HydrophobicContact CD2-CE1 4.07Å; K370-Y409 WeakPolarHBondContact CG-OH 3.44Å; Y406-Y409 AromaticContact CD1-CD2 3.64Å; Y406-Y409 HydrophobicContact CD1-CD2 3.64Å; Y406-Y409 HydrophobicContact CD1-CE2 4.02Å; Y406-Y409 AromaticContact CD1-CG 3.95Å; Y406-Y409 HydrophobicContact CD1-CG 3.95Å; Y406-Y409 HydrophobicContact CG-CD2 4.4Å; Y406-Y409 PolarHBondContact O-N 3.18Å; Y406-Y409 VanDerWaalsContact O-N 3.09Å; Y409-F524 WeakPolarHBondContact CE1-O 3.37Å; Y409-T525 VanDerWaalsContact CD1-C 3.48Å; Y409-T525 VanDerWaalsContact CD1-O 3.27Å; Y409-T525 WeakPolarHBondContact CD1-O 3.5Å; Y409-E526 HydrophobicContact CD1-CB 4.46Å; Y409-E526 HydrophobicContact CD2-CG 4.49Å; Y409-E526 HydrophobicContact CE1-CB 3.87Å; Y409-E526 VanDerWaalsContact CE1-N 3.25Å; Y409-E526 HydrophobicContact CE2-CB 4.19Å; Y409-E526 HydrophobicContact CE2-CG 4.04Å
410	P	96.7	Very high	89.7	Confident	5 Å²	5	46.3 Å²	46.3	3%	0.032	23%	0.23	C	C	.	.			trans	-64.5	156.6	172.9	-15.7	28.6	0	0	0	112.4	R399 I412 F495 V496 R522 T525	R399-P410 PolarHBondContact NH2-O 2.66Å; P410-I412 PolarHBondContact O-N 3.32Å; P410-F495 HydrophobicContact CB-CB 4.32Å; P410-F495 HydrophobicContact CG-CB 4.04Å; P410-F495 HydrophobicContact CG-CD1 4.28Å; P410-V496 HydrophobicContact CG-CG2 4.32Å; P410-R522 HydrophobicContact CB-CB 3.95Å; P410-R522 HydrophobicContact CB-CG 3.95Å; P410-R522 HydrophobicContact CG-CB 4.23Å; P410-R522 HydrophobicContact CG-CG 4.19Å; P410-T525 VanDerWaalsContact CD-O 3.26Å; P410-T525 WeakPolarHBondContact CD-O 3.44Å
411	D	95.4	Very high	90.1	Very high	23 Å²	23	49.1 Å²	49.1	12%	0.123	25%	0.253	C	S	.	.			trans	-60.9	128.8	168.6	-55.9	-28	0	0	0	108.2	R402 R416 I501 R522	R402-D411 IonicContact CZ-OD1 2.77Å; R402-D411 IonicContact CZ-OD2 2.68Å; R402-D411 IonicContact NE-OD1 3.62Å; R402-D411 PolarHBondContact NE-OD1 2.94Å; R402-D411 IonicContact NH2-OD1 3.86Å; R402-D411 PolarHBondContact NH2-OD1 2.79Å; R402-D411 IonicContact NH2-OD2 3.5Å; R402-D411 PolarHBondContact NH2-OD2 3.37Å; D411-R416 IonicContact OD2-CZ 2.69Å; D411-R416 IonicContact OD2-NH1 3.49Å; D411-R416 PolarHBondContact OD2-NH1 2.83Å; D411-I501 HydrophobicContact CB-CD1 3.99Å; D411-I501 WeakPolarHBondContact O-CD1 3.36Å; D411-R522 VanDerWaalsContact O-CZ 3.24Å; D411-R522 PolarHBondContact O-NE 3.17Å; D411-R522 PolarHBondContact O-NH2 2.87Å
412	I	97.6	Very high	91.2	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	25%	0.25	C	S	.	.			trans	-108.4	-38.1	177.3	-178	62.1	0	0	0	113.7	A391 F396 R399 P410 F414 R522 L523	A391-I412 HydrophobicContact CB-CD1 4.17Å; A391-I412 HydrophobicContact CB-CG1 4.1Å; F396-I412 HydrophobicContact CB-CG2 4.29Å; F396-I412 HydrophobicContact CD2-CG1 4.15Å; F396-I412 HydrophobicContact CD2-CG2 4.26Å; F396-I412 HydrophobicContact CE2-CG1 4.28Å; F396-I412 HydrophobicContact CG-CG2 4.46Å; R399-I412 HydrophobicContact CB-CG2 3.78Å; R399-I412 HydrophobicContact CG-CG2 3.69Å; P410-I412 PolarHBondContact O-N 3.32Å; I412-F414 VanDerWaalsContact O-CD1 3.28Å; I412-F414 WeakPolarHBondContact O-CD1 3.49Å; I412-R522 HydrophobicContact CD1-CB 4.09Å; I412-L523 HydrophobicContact CD1-CB 4.22Å; I412-L523 HydrophobicContact CG1-CB 4.18Å; I412-L523 HydrophobicContact CG1-CD1 4.12Å; I412-L523 HydrophobicContact CG2-CD1 4.25Å
413	N	97.6	Very high	92.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-72.7	135.4	-178.4	-72.9	-30.8	0	0	0	111.9	C394 F396 N400 F415 I501	C394-N413 WeakPolarHBondContact CA-OD1 3.43Å; C394-N413 HydrophobicContact CB-CB 3.87Å; C394-N413 PolarHBondContact O-ND2 3.37Å; F396-N413 WeakPolarHBondContact CB-OD1 3.33Å; F396-N413 PolarHBondContact N-OD1 2.88Å; F396-N413 PolarHBondContact O-ND2 3.32Å; N400-N413 PolarHBondContact OD1-ND2 2.81Å; N413-F415 VanDerWaalsContact C-N 3.25Å; N413-F415 HydrophobicContact CB-CD1 3.87Å; N413-F415 HydrophobicContact CB-CE1 4.18Å; N413-F415 WeakPolarHBondContact O-CD1 3.38Å; N413-F415 PolarHBondContact O-N 3.36Å; N413-F415 VanDerWaalsContact O-N 3.12Å; N413-I501 WeakPolarHBondContact O-CD1 3.45Å
414	F	97.9	Very high	94.2	Very high	1 Å²	1	37.3 Å²	37.3	0%	0.004	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-78.4	6.7	-166	-74.5	21.4	0	0	0	114.9	L388 A391 F392 C394 I412 R416 L417 F418 L432 F436 I501 I519	L388-F414 HydrophobicContact CD2-CZ 4.47Å; A391-F414 HydrophobicContact CB-CD1 3.84Å; A391-F414 HydrophobicContact CB-CE1 3.59Å; A391-F414 HydrophobicContact CB-CZ 4.33Å; A391-F414 PolarHBondContact O-N 2.77Å; F392-F414 HydrophobicContact CB-CD2 4.09Å; F392-F414 HydrophobicContact CB-CE2 4.41Å; F392-F414 AromaticContact CD2-CD2 3.89Å; F392-F414 HydrophobicContact CD2-CD2 3.89Å; F392-F414 HydrophobicContact CD2-CE2 4.42Å; F392-F414 HydrophobicContact CG-CD2 4.44Å; C394-F414 PolarHBondContact SG-N 3.47Å; C394-F414 VanDerWaalsContact SG-N 3.44Å; I412-F414 VanDerWaalsContact O-CD1 3.28Å; I412-F414 WeakPolarHBondContact O-CD1 3.49Å; F414-R416 PolarHBondContact O-N 3.32Å; F414-L417 HydrophobicContact CB-CB 4.39Å; F414-L417 HydrophobicContact CD2-CD2 3.94Å; F414-L417 WeakPolarHBondContact O-CA 3.2Å; F414-L417 WeakPolarHBondContact O-CB 3.39Å; F414-L417 PolarHBondContact O-N 2.91Å; F414-F418 HydrophobicContact CB-CE1 4.25Å; F414-F418 HydrophobicContact CB-CE2 4.17Å; F414-F418 HydrophobicContact CB-CZ 3.69Å; F414-L432 HydrophobicContact CE2-CD1 4.09Å; F414-F436 HydrophobicContact CE2-CE2 4.39Å; F414-F436 HydrophobicContact CE2-CZ 4.5Å; F414-I501 HydrophobicContact CD1-CB 4.43Å; F414-I501 HydrophobicContact CD1-CD1 4.49Å; F414-I501 HydrophobicContact CD1-CG2 3.62Å; F414-I501 HydrophobicContact CE1-CG2 3.63Å; F414-I501 HydrophobicContact CG-CG2 4.25Å; F414-I501 HydrophobicContact CZ-CG2 4.24Å; F414-I519 HydrophobicContact CE1-CG2 3.98Å; F414-I519 HydrophobicContact CZ-CG2 4.15Å
415	F	94.4	Very high	95.6	Very high	26 Å²	26	35.2 Å²	35.2	11%	0.114	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-52.7	-31.4	-176.9	65.9	-91.8	0	0	0	113.9	W322 C394 N413 L417 F418	W322-F415 AromaticContact CD1-CD2 3.48Å; W322-F415 VanDerWaalsContact CD1-CD2 3.48Å; W322-F415 AromaticContact CD1-CG 3.98Å; W322-F415 HydrophobicContact CD2-CB 3.56Å; W322-F415 HydrophobicContact CD2-CD1 4.48Å; W322-F415 HydrophobicContact CD2-CD2 4.15Å; W322-F415 AromaticContact CD2-CG 3.84Å; W322-F415 HydrophobicContact CD2-CG 3.84Å; W322-F415 AromaticContact CE2-CD1 3.72Å; W322-F415 AromaticContact CE2-CD2 3.64Å; W322-F415 AromaticContact CE2-CG 3.39Å; W322-F415 HydrophobicContact CE3-CB 3.79Å; W322-F415 HydrophobicContact CE3-CG 4.42Å; W322-F415 HydrophobicContact CG-CB 3.96Å; W322-F415 HydrophobicContact CG-CD2 4.06Å; W322-F415 HydrophobicContact CG-CG 4.2Å; W322-F415 HydrophobicContact CH2-CB 4.23Å; W322-F415 AromaticContact CH2-CD1 3.98Å; W322-F415 HydrophobicContact CH2-CD1 3.98Å; W322-F415 HydrophobicContact CH2-CG 4.25Å; W322-F415 HydrophobicContact CZ2-CB 4.02Å; W322-F415 AromaticContact CZ2-CD1 3.42Å; W322-F415 HydrophobicContact CZ2-CD1 3.42Å; W322-F415 VanDerWaalsContact CZ2-CD1 3.42Å; W322-F415 HydrophobicContact CZ2-CD2 4.22Å; W322-F415 AromaticContact CZ2-CE1 3.87Å; W322-F415 HydrophobicContact CZ2-CE1 3.87Å; W322-F415 AromaticContact CZ2-CG 3.63Å; W322-F415 HydrophobicContact CZ2-CG 3.63Å; W322-F415 HydrophobicContact CZ2-CZ 4.42Å; W322-F415 HydrophobicContact CZ3-CB 4.12Å; W322-F415 AromaticContact NE1-CD2 3.18Å; W322-F415 AromaticContact NE1-CE2 3.46Å; W322-F415 AromaticContact NE1-CG 3.5Å; C394-F415 PolarHBondContact SG-N 2.94Å; N413-F415 VanDerWaalsContact C-N 3.25Å; N413-F415 HydrophobicContact CB-CD1 3.87Å; N413-F415 HydrophobicContact CB-CE1 4.18Å; N413-F415 WeakPolarHBondContact O-CD1 3.38Å; N413-F415 PolarHBondContact O-N 3.36Å; N413-F415 VanDerWaalsContact O-N 3.12Å; F415-L417 VanDerWaalsContact C-N 3.35Å; F415-F418 PolarHBondContact O-N 3.44Å
416	R	95.5	Very high	96.1	Very high	74 Å²	74	31.9 Å²	31.9	28%	0.279	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-72.7	-23.6	175.5	-59	-170.5	67.4	-171.5	-0	113.4	D411 F414 F418 E419 K425 I501	D411-R416 IonicContact OD2-CZ 2.69Å; D411-R416 IonicContact OD2-NH1 3.49Å; D411-R416 PolarHBondContact OD2-NH1 2.83Å; F414-R416 PolarHBondContact O-N 3.32Å; R416-F418 VanDerWaalsContact C-N 3.25Å; R416-F418 PolarHBondContact O-N 3.35Å; R416-E419 IonicContact NE-OE1 3.49Å; R416-E419 VanDerWaalsContact O-CD 3.3Å; R416-E419 WeakPolarHBondContact O-CG 3.42Å; R416-E419 PolarHBondContact O-N 2.7Å; R416-K425 PolarHBondContact O-NZ 3.19Å; R416-I501 CarbonylContact C-O 3.06Å; R416-I501 WeakPolarHBondContact CB-O 3.3Å
417	L	97.3	Very high	96.3	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-30.4	175.6	-179.4	63.1	0	0	0	111	F414 F415 E419 K425 K428 L429 L432 I501	F414-L417 HydrophobicContact CB-CB 4.39Å; F414-L417 HydrophobicContact CD2-CD2 3.94Å; F414-L417 WeakPolarHBondContact O-CA 3.2Å; F414-L417 WeakPolarHBondContact O-CB 3.39Å; F414-L417 PolarHBondContact O-N 2.91Å; F415-L417 VanDerWaalsContact C-N 3.35Å; L417-E419 VanDerWaalsContact C-N 3.32Å; L417-K425 HydrophobicContact CD1-CD 4.41Å; L417-K428 HydrophobicContact CD1-CB 3.7Å; L417-K428 HydrophobicContact CD1-CD 3.77Å; L417-K428 HydrophobicContact CD1-CG 4.41Å; L417-L429 HydrophobicContact CD2-CD2 3.81Å; L417-L429 HydrophobicContact CD2-CG 4.47Å; L417-L429 HydrophobicContact CG-CD2 4.06Å; L417-L429 HydrophobicContact CG-CG 4.37Å; L417-L432 HydrophobicContact CD2-CD1 3.48Å; L417-L432 VanDerWaalsContact CD2-CD1 3.48Å; L417-I501 WeakPolarHBondContact CA-O 3.44Å; L417-I501 PolarHBondContact N-O 3.47Å
418	F	97.2	Very high	96.6	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-7.3	-178	-42.1	-40.7	0	0	0	113.2	D323 F324 T325 A326 L327 F392 F414 F415 R416 L429	D323-F418 CarbonylContact O-C 3.58Å; F324-F418 CarbonylContact C-O 3.53Å; F324-F418 VanDerWaalsContact CA-O 3.22Å; F324-F418 WeakPolarHBondContact CA-O 3.29Å; F324-F418 HydrophobicContact CB-CB 4.48Å; F324-F418 HydrophobicContact CD1-CB 4.14Å; F324-F418 AromaticContact CD1-CD2 3.99Å; F324-F418 HydrophobicContact CD1-CD2 3.99Å; F324-F418 HydrophobicContact CD1-CG 4.26Å; F324-F418 AromaticContact CE1-CD2 3.6Å; F324-F418 HydrophobicContact CE1-CD2 3.6Å; F324-F418 HydrophobicContact CE1-CE2 4.1Å; F324-F418 HydrophobicContact CE1-CG 4.31Å; F324-F418 HydrophobicContact CG-CB 4.19Å; F324-F418 AromaticContact CZ-CD2 3.89Å; F324-F418 HydrophobicContact CZ-CD2 3.89Å; F324-F418 HydrophobicContact CZ-CE2 4.41Å; T325-F418 PolarHBondContact N-O 3.15Å; A326-F418 WeakPolarHBondContact CB-O 3.37Å; A326-F418 PolarHBondContact N-O 2.92Å; L327-F418 HydrophobicContact CB-CB 4.18Å; L327-F418 HydrophobicContact CB-CD1 4.15Å; L327-F418 HydrophobicContact CB-CG 4.38Å; L327-F418 HydrophobicContact CD2-CD1 4.13Å; L327-F418 HydrophobicContact CD2-CE1 4.35Å; L327-F418 HydrophobicContact CD2-CG 4.39Å; F392-F418 HydrophobicContact CD2-CE1 4.22Å; F392-F418 HydrophobicContact CD2-CZ 4.06Å; F392-F418 AromaticContact CE2-CE1 3.78Å; F392-F418 HydrophobicContact CE2-CE1 3.78Å; F392-F418 AromaticContact CE2-CZ 3.93Å; F392-F418 HydrophobicContact CE2-CZ 3.93Å; F392-F418 HydrophobicContact CG-CZ 4.41Å; F392-F418 HydrophobicContact CZ-CE1 4.21Å; F392-F418 HydrophobicContact CZ-CZ 4.19Å; F392-F418 WeakPolarHBondContact O-CZ 3.45Å; F414-F418 HydrophobicContact CB-CE1 4.25Å; F414-F418 HydrophobicContact CB-CE2 4.17Å; F414-F418 HydrophobicContact CB-CZ 3.69Å; F415-F418 PolarHBondContact O-N 3.44Å; R416-F418 VanDerWaalsContact C-N 3.25Å; R416-F418 PolarHBondContact O-N 3.35Å; F418-L429 HydrophobicContact CD1-CD2 4.38Å; F418-L429 HydrophobicContact CE1-CD2 4.34Å
419	E	95.3	Very high	96.8	Very high	62 Å²	62	26.1 Å²	26.1	29%	0.29	15%	0.147	S	C	.	.			trans	-83	141	-174.4	90.1	-158.4	159.3	0	0	114.2	D323 R416 L417 K425	D323-E419 HydrophobicContact CB-CB 4.2Å; R416-E419 IonicContact NE-OE1 3.49Å; R416-E419 VanDerWaalsContact O-CD 3.3Å; R416-E419 WeakPolarHBondContact O-CG 3.42Å; R416-E419 PolarHBondContact O-N 2.7Å; L417-E419 VanDerWaalsContact C-N 3.32Å; E419-K425 WeakPolarHBondContact O-CE 3.41Å; E419-K425 IonicContact OE1-NZ 3.34Å
420	G	95.7	Very high	96.9	Very high	29 Å²	29	28.1 Å²	28.1	30%	0.299	16%	0.156	S	C	.	.	S	Bend	trans	75.5	-171.9	171.8	0	0	0	0	0	115.4	D323 T325 A326	D323-G420 PolarHBondContact OD2-N 2.95Å; T325-G420 CarbonylContact C-O 3.5Å; A326-G420 WeakPolarHBondContact CA-O 3.47Å; A326-G420 WeakPolarHBondContact CB-O 3.35Å; A326-G420 PolarHBondContact N-O 2.92Å
421	S	95.1	Very high	97	Very high	93 Å²	93	27.9 Å²	27.9	65%	0.65	16%	0.155	S	C	*	.			trans	-115.5	14.9	-175.6	56.3	0	0	0	0	113.9	S423	S421-S423 PolarHBondContact O-N 2.83Å
422	S	96.3	Very high	97.1	Very high	46 Å²	46	27 Å²	27	32%	0.322	15%	0.15	S	C	.	.			trans	-69	124.5	-177	-172.1	0	0	0	0	111.1	R424 K425	S422-R424 PolarHBondContact O-N 3.48Å; S422-K425 VanDerWaalsContact O-CB 3.31Å; S422-K425 WeakPolarHBondContact O-CB 3.25Å; S422-K425 PolarHBondContact O-N 2.81Å
423	S	95.7	Very high	97.1	Very high	67 Å²	67	27.4 Å²	27.4	47%	0.469	15%	0.152	S	C	.	.	H	α-helix	trans	-50.6	-30.8	175	52.9	0	0	0	0	113.6	S421 K425 I426 E427	S421-S423 PolarHBondContact O-N 2.83Å; S423-K425 VanDerWaalsContact C-N 3.27Å; S423-K425 PolarHBondContact O-N 3.17Å; S423-I426 VanDerWaalsContact O-CB 3.3Å; S423-I426 WeakPolarHBondContact O-CB 3.42Å; S423-I426 PolarHBondContact O-N 2.85Å; S423-I426 VanDerWaalsContact O-N 3.12Å; S423-E427 PolarHBondContact O-N 2.8Å
424	R	97.1	Very high	97.2	Very high	63 Å²	63	27.9 Å²	27.9	24%	0.238	16%	0.155	C	C	.	.	H	α-helix	trans	-57.8	-36.5	173.6	-65.9	-174.3	-64.2	161.6	3.5	113	S422 I426 E427 K428 A503 L505 S549	S422-R424 PolarHBondContact O-N 3.48Å; R424-I426 VanDerWaalsContact C-N 3.34Å; R424-E427 PolarHBondContact O-N 2.73Å; R424-K428 VanDerWaalsContact O-CG 3.3Å; R424-K428 WeakPolarHBondContact O-CG 3.45Å; R424-K428 PolarHBondContact O-N 2.84Å; R424-A503 VanDerWaalsContact CZ-O 3.25Å; R424-A503 PolarHBondContact NH1-O 3.31Å; R424-A503 PolarHBondContact NH2-O 2.94Å; R424-L505 HydrophobicContact CB-CD2 3.72Å; R424-L505 HydrophobicContact CG-CD2 3.87Å; R424-S549 WeakPolarHBondContact CD-O 2.97Å
425	K	97.5	Very high	97.2	Very high	11 Å²	11	27.8 Å²	27.8	5%	0.048	16%	0.155	C	C	.	.	H	α-helix	trans	-65.9	-38	176.9	-58.1	-71.5	-163.8	166.1	0	111.3	A326 R416 L417 E419 S422 S423 K428 L429 G502	A326-K425 HydrophobicContact CB-CB 3.72Å; A326-K425 HydrophobicContact CB-CG 4.2Å; R416-K425 PolarHBondContact O-NZ 3.19Å; L417-K425 HydrophobicContact CD1-CD 4.41Å; E419-K425 WeakPolarHBondContact O-CE 3.41Å; E419-K425 IonicContact OE1-NZ 3.34Å; S422-K425 VanDerWaalsContact O-CB 3.31Å; S422-K425 WeakPolarHBondContact O-CB 3.25Å; S422-K425 PolarHBondContact O-N 2.81Å; S423-K425 VanDerWaalsContact C-N 3.27Å; S423-K425 PolarHBondContact O-N 3.17Å; K425-K428 WeakPolarHBondContact O-CB 3.39Å; K425-K428 PolarHBondContact O-N 2.89Å; K425-L429 WeakPolarHBondContact O-CB 3.47Å; K425-L429 WeakPolarHBondContact O-CG 3.23Å; K425-L429 PolarHBondContact O-N 2.89Å; K425-G502 VanDerWaalsContact NZ-C 3.32Å; K425-G502 PolarHBondContact NZ-O 3.23Å
426	I	97.8	Very high	97.4	Very high	14 Å²	14	26.6 Å²	26.6	7%	0.072	15%	0.149	C	C	.	.	H	α-helix	trans	-61.8	-47.2	176.5	-54.6	-55	0	0	0	110.6	A326 L329 Y330 V334 S423 R424 L429 K430	A326-I426 VanDerWaalsContact O-CD1 3.32Å; A326-I426 WeakPolarHBondContact O-CD1 3.2Å; L329-I426 HydrophobicContact CB-CD1 4.05Å; Y330-I426 HydrophobicContact CD2-CG2 4.21Å; V334-I426 HydrophobicContact CB-CG2 4.12Å; V334-I426 HydrophobicContact CG1-CG2 3.7Å; V334-I426 HydrophobicContact CG2-CG2 3.66Å; S423-I426 VanDerWaalsContact O-CB 3.3Å; S423-I426 WeakPolarHBondContact O-CB 3.42Å; S423-I426 PolarHBondContact O-N 2.85Å; S423-I426 VanDerWaalsContact O-N 3.12Å; R424-I426 VanDerWaalsContact C-N 3.34Å; I426-L429 PolarHBondContact O-N 2.82Å; I426-K430 PolarHBondContact O-N 3.22Å
427	E	98.4	Very high	97.6	Very high	14 Å²	14	25.9 Å²	25.9	7%	0.065	15%	0.148	C	C	.	.	H	α-helix	trans	-66.8	-38	178.7	-60.1	-58.6	133.5	0	0	111.8	S423 R424 L429 K430 T431 Y552 R553 W554	S423-E427 PolarHBondContact O-N 2.8Å; R424-E427 PolarHBondContact O-N 2.73Å; E427-L429 PolarHBondContact O-N 2.76Å; E427-K430 WeakPolarHBondContact O-CB 3.46Å; E427-K430 PolarHBondContact O-N 3.33Å; E427-K430 IonicContact OE1-NZ 2.72Å; E427-K430 PolarHBondContact OE1-NZ 2.84Å; E427-K430 IonicContact OE2-NZ 2.7Å; E427-K430 PolarHBondContact OE2-NZ 2.89Å; E427-T431 PolarHBondContact O-N 2.86Å; E427-T431 VanDerWaalsContact O-N 3.09Å; E427-T431 PolarHBondContact O-OG1 2.9Å; E427-Y552 HydrophobicContact CB-CD1 3.72Å; E427-Y552 HydrophobicContact CB-CE1 3.88Å; E427-R553 WeakPolarHBondContact OE2-CA 3.45Å; E427-W554 PolarHBondContact OE2-N 2.89Å
428	K	98.8	Very high	97.6	Very high	1 Å²	1	27.6 Å²	27.6	0%	0.004	16%	0.16	C	C	.	.	H	α-helix	trans	-58.8	-43.7	169.6	-71.4	-176.7	174.6	-165.5	0	113	L417 R424 K425 T431 L432 G499 V500 G502 G504 L505 L513	L417-K428 HydrophobicContact CD1-CB 3.7Å; L417-K428 HydrophobicContact CD1-CD 3.77Å; L417-K428 HydrophobicContact CD1-CG 4.41Å; R424-K428 VanDerWaalsContact O-CG 3.3Å; R424-K428 WeakPolarHBondContact O-CG 3.45Å; R424-K428 PolarHBondContact O-N 2.84Å; K425-K428 WeakPolarHBondContact O-CB 3.39Å; K425-K428 PolarHBondContact O-N 2.89Å; K428-T431 PolarHBondContact O-N 2.87Å; K428-L432 WeakPolarHBondContact O-CG 3.35Å; K428-L432 PolarHBondContact O-N 2.83Å; K428-G499 PolarHBondContact NZ-O 2.85Å; K428-V500 WeakPolarHBondContact CE-O 3.38Å; K428-V500 PolarHBondContact NZ-O 3.16Å; K428-G502 PolarHBondContact NZ-O 3.44Å; K428-G504 WeakPolarHBondContact CE-O 3.46Å; K428-G504 PolarHBondContact NZ-O 3.36Å; K428-L505 HydrophobicContact CG-CD1 4.42Å; K428-L513 HydrophobicContact CB-CD2 3.94Å; K428-L513 HydrophobicContact CD-CD1 4.31Å; K428-L513 HydrophobicContact CD-CD2 4.41Å; K428-L513 HydrophobicContact CG-CD1 3.66Å; K428-L513 HydrophobicContact CG-CD2 3.87Å; K428-L513 HydrophobicContact CG-CG 4.43Å
429	L	98.4	Very high	97.7	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-62.4	-45	177.7	-75.6	167	0	0	0	110.6	L327 Y330 L417 F418 K425 I426 E427 T431 L432 M433	L327-L429 HydrophobicContact CD1-CD1 4.24Å; L327-L429 HydrophobicContact CD1-CD2 4.1Å; Y330-L429 HydrophobicContact CD1-CB 4.28Å; Y330-L429 HydrophobicContact CD1-CD1 4.38Å; Y330-L429 HydrophobicContact CD2-CB 4.16Å; Y330-L429 HydrophobicContact CE1-CB 4.46Å; Y330-L429 HydrophobicContact CE2-CB 4.36Å; Y330-L429 HydrophobicContact CG-CB 4.11Å; Y330-L429 HydrophobicContact CG-CD1 4.07Å; L417-L429 HydrophobicContact CD2-CD2 3.81Å; L417-L429 HydrophobicContact CD2-CG 4.47Å; L417-L429 HydrophobicContact CG-CD2 4.06Å; L417-L429 HydrophobicContact CG-CG 4.37Å; F418-L429 HydrophobicContact CD1-CD2 4.38Å; F418-L429 HydrophobicContact CE1-CD2 4.34Å; K425-L429 WeakPolarHBondContact O-CB 3.47Å; K425-L429 WeakPolarHBondContact O-CG 3.23Å; K425-L429 PolarHBondContact O-N 2.89Å; I426-L429 PolarHBondContact O-N 2.82Å; E427-L429 PolarHBondContact O-N 2.76Å; L429-T431 VanDerWaalsContact C-N 3.35Å; L429-T431 PolarHBondContact O-N 2.61Å; L429-L432 PolarHBondContact O-N 2.82Å; L429-M433 HydrophobicContact CD2-CE 4.48Å; L429-M433 WeakPolarHBondContact O-CB 3.43Å; L429-M433 WeakPolarHBondContact O-CG 3.08Å; L429-M433 PolarHBondContact O-N 3.34Å
430	K	98.4	Very high	97.8	Very high	56 Å²	56	26.4 Å²	26.4	24%	0.243	16%	0.158	C	C	.	.	H	α-helix	trans	-53.6	-49.8	172.6	-68.9	173.5	-179.3	172.1	0	112	Y330 I426 E427 L432 M433 C434 W554	Y330-K430 HydrophobicContact CE2-CG 3.82Å; I426-K430 PolarHBondContact O-N 3.22Å; E427-K430 WeakPolarHBondContact O-CB 3.46Å; E427-K430 PolarHBondContact O-N 3.33Å; E427-K430 IonicContact OE1-NZ 2.72Å; E427-K430 PolarHBondContact OE1-NZ 2.84Å; E427-K430 IonicContact OE2-NZ 2.7Å; E427-K430 PolarHBondContact OE2-NZ 2.89Å; K430-L432 PolarHBondContact O-N 2.79Å; K430-M433 PolarHBondContact O-N 2.94Å; K430-C434 WeakPolarHBondContact O-CB 3.38Å; K430-C434 PolarHBondContact O-N 3.28Å; K430-W554 HydrophobicContact CB-CB 3.81Å; K430-W554 HydrophobicContact CB-CD2 4.1Å; K430-W554 HydrophobicContact CB-CE3 4.32Å; K430-W554 HydrophobicContact CB-CG 3.91Å; K430-W554 HydrophobicContact CD-CB 4.22Å; K430-W554 HydrophobicContact CD-CE3 4.38Å
431	T	98.8	Very high	97.8	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-42.1	-178.9	-43.1	0	0	0	0	112.3	E427 K428 L429 C434 Y435 L513 I514 S543 Y552	E427-T431 PolarHBondContact O-N 2.86Å; E427-T431 VanDerWaalsContact O-N 3.09Å; E427-T431 PolarHBondContact O-OG1 2.9Å; K428-T431 PolarHBondContact O-N 2.87Å; L429-T431 VanDerWaalsContact C-N 3.35Å; L429-T431 PolarHBondContact O-N 2.61Å; T431-C434 WeakPolarHBondContact O-CB 3.4Å; T431-C434 PolarHBondContact O-N 3.4Å; T431-Y435 PolarHBondContact O-N 3Å; T431-L513 HydrophobicContact CG2-CB 4Å; T431-L513 WeakPolarHBondContact CG2-O 3.42Å; T431-I514 HydrophobicContact CG2-CG2 4.33Å; T431-S543 VanDerWaalsContact CG2-CB 3.48Å; T431-Y552 PolarHBondContact OG1-OH 2.78Å
432	L	98.8	Very high	97.9	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.026	18%	0.176	C	C	.	.	H	α-helix	trans	-74.3	-35.4	179.3	-70.4	167.2	0	0	0	113.2	F414 L417 K428 L429 K430 C434 Y435 F436 L513 P516 I519	F414-L432 HydrophobicContact CE2-CD1 4.09Å; L417-L432 HydrophobicContact CD2-CD1 3.48Å; L417-L432 VanDerWaalsContact CD2-CD1 3.48Å; K428-L432 WeakPolarHBondContact O-CG 3.35Å; K428-L432 PolarHBondContact O-N 2.83Å; L429-L432 PolarHBondContact O-N 2.82Å; K430-L432 PolarHBondContact O-N 2.79Å; L432-C434 VanDerWaalsContact C-N 3.3Å; L432-C434 PolarHBondContact O-N 3.35Å; L432-Y435 WeakPolarHBondContact O-CB 3.49Å; L432-Y435 PolarHBondContact O-N 2.79Å; L432-F436 WeakPolarHBondContact O-CD2 3.47Å; L432-F436 PolarHBondContact O-N 2.76Å; L432-L513 HydrophobicContact CD1-CD2 3.98Å; L432-L513 HydrophobicContact CD2-CD2 4.35Å; L432-L513 HydrophobicContact CG-CD2 3.95Å; L432-P516 HydrophobicContact CD2-CB 4.01Å; L432-P516 HydrophobicContact CD2-CG 3.96Å; L432-I519 HydrophobicContact CD2-CD1 3.72Å
433	M	98.3	Very high	97.9	Very high	11 Å²	11	36.4 Å²	36.4	5%	0.054	18%	0.18	C	C	.	.	H	α-helix	trans	-66	-34.7	173.4	-67.3	-59.8	177	0	0	111.5	L327 Y330 L343 L347 M351 F392 L429 K430 Y435 F436 K437	L327-M433 HydrophobicContact CD1-CE 4.42Å; Y330-M433 HydrophobicContact CE1-CE 4.29Å; Y330-M433 HydrophobicContact CE1-CG 3.94Å; L343-M433 HydrophobicContact CD1-CE 4.39Å; L343-M433 HydrophobicContact CD1-SD 4.12Å; L347-M433 HydrophobicContact CD2-SD 4.24Å; M351-M433 HydrophobicContact SD-SD 4.46Å; F392-M433 HydrophobicContact CE2-CE 3.67Å; F392-M433 HydrophobicContact CZ-CE 3.74Å; L429-M433 HydrophobicContact CD2-CE 4.48Å; L429-M433 WeakPolarHBondContact O-CB 3.43Å; L429-M433 WeakPolarHBondContact O-CG 3.08Å; L429-M433 PolarHBondContact O-N 3.34Å; K430-M433 PolarHBondContact O-N 2.94Å; M433-Y435 VanDerWaalsContact C-N 3.32Å; M433-Y435 PolarHBondContact O-N 3.07Å; M433-F436 PolarHBondContact O-N 3.48Å; M433-K437 VanDerWaalsContact O-CB 3.23Å; M433-K437 WeakPolarHBondContact O-CB 3.09Å; M433-K437 PolarHBondContact O-N 2.79Å
434	C	98.6	Very high	97.9	Very high	9 Å²	9	33.9 Å²	33.9	6%	0.061	16%	0.161	C	C	.	.	H	α-helix	trans	-59.2	-41.7	171.1	-175.4	0	0	0	0	112.1	K430 T431 L432 S438 Y542 S543 W554 C557	K430-C434 WeakPolarHBondContact O-CB 3.38Å; K430-C434 PolarHBondContact O-N 3.28Å; T431-C434 WeakPolarHBondContact O-CB 3.4Å; T431-C434 PolarHBondContact O-N 3.4Å; L432-C434 VanDerWaalsContact C-N 3.3Å; L432-C434 PolarHBondContact O-N 3.35Å; C434-S438 WeakPolarHBondContact O-CB 3.32Å; C434-S438 PolarHBondContact O-N 3.42Å; C434-S438 VanDerWaalsContact O-N 3.11Å; C434-S438 PolarHBondContact O-OG 3.04Å; C434-Y542 PolarHBondContact SG-O 3.39Å; C434-Y542 VanDerWaalsContact SG-O 3.38Å; C434-S543 WeakPolarHBondContact CB-OG 3.1Å; C434-S543 PolarHBondContact SG-OG 3.08Å; C434-S543 VanDerWaalsContact SG-OG 3.4Å; C434-W554 HydrophobicContact CB-CZ2 3.98Å; C434-C557 PolarHBondContact SG-SG 3.01Å
435	Y	98.8	Very high	98	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.6	-53.5	174.7	164.9	-100.9	0	0	0	112.2	A385 L388 T431 L432 M433 K437 S438 V439 P516 E517 Y542	A385-Y435 VanDerWaalsContact CA-OH 3.31Å; A385-Y435 WeakPolarHBondContact CA-OH 3.47Å; A385-Y435 WeakPolarHBondContact CB-OH 3.36Å; L388-Y435 HydrophobicContact CB-CE1 4.4Å; L388-Y435 HydrophobicContact CD1-CE1 3.81Å; T431-Y435 PolarHBondContact O-N 3Å; L432-Y435 WeakPolarHBondContact O-CB 3.49Å; L432-Y435 PolarHBondContact O-N 2.79Å; M433-Y435 VanDerWaalsContact C-N 3.32Å; M433-Y435 PolarHBondContact O-N 3.07Å; Y435-K437 VanDerWaalsContact C-N 3.3Å; Y435-K437 PolarHBondContact O-N 2.87Å; Y435-S438 WeakPolarHBondContact O-CB 3.43Å; Y435-S438 PolarHBondContact O-N 2.73Å; Y435-V439 HydrophobicContact CD2-CG1 4.07Å; Y435-V439 HydrophobicContact CE1-CG2 4.3Å; Y435-V439 HydrophobicContact CE2-CG1 3.63Å; Y435-V439 WeakPolarHBondContact O-CG2 3.29Å; Y435-V439 PolarHBondContact O-N 3.28Å; Y435-P516 HydrophobicContact CD1-CB 3.85Å; Y435-P516 HydrophobicContact CD1-CG 4.3Å; Y435-P516 HydrophobicContact CD2-CB 3.92Å; Y435-P516 HydrophobicContact CD2-CG 4.03Å; Y435-P516 HydrophobicContact CE1-CB 4.2Å; Y435-P516 HydrophobicContact CE2-CB 4.26Å; Y435-P516 HydrophobicContact CG-CB 3.7Å; Y435-P516 HydrophobicContact CG-CG 3.73Å; Y435-E517 HydrophobicContact CE2-CG 3.98Å; Y435-Y542 AromaticContact CD2-CD1 3.88Å; Y435-Y542 HydrophobicContact CD2-CD1 3.88Å; Y435-Y542 AromaticContact CD2-CD2 3.57Å; Y435-Y542 HydrophobicContact CD2-CD2 3.57Å; Y435-Y542 AromaticContact CD2-CE1 3.93Å; Y435-Y542 HydrophobicContact CD2-CE1 3.93Å; Y435-Y542 AromaticContact CD2-CE2 3.62Å; Y435-Y542 HydrophobicContact CD2-CE2 3.62Å; Y435-Y542 AromaticContact CD2-CG 3.7Å; Y435-Y542 HydrophobicContact CD2-CG 3.7Å; Y435-Y542 AromaticContact CD2-CZ 3.8Å; Y435-Y542 HydrophobicContact CE2-CD2 4.1Å; Y435-Y542 HydrophobicContact CE2-CE1 4.24Å; Y435-Y542 AromaticContact CE2-CE2 3.67Å; Y435-Y542 HydrophobicContact CE2-CE2 3.67Å; Y435-Y542 AromaticContact CE2-CZ 3.74Å
436	F	98.8	Very high	98	Very high	1 Å²	1	32 Å²	32	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-57.6	-44.8	-178.6	-76.6	-60.3	0	0	0	111.5	L347 M351 L388 A389 F392 F414 L432 M433 S438 V439 T440	L347-F436 HydrophobicContact CD1-CB 4.27Å; M351-F436 HydrophobicContact CE-CB 4.3Å; M351-F436 HydrophobicContact CE-CD1 4.05Å; M351-F436 HydrophobicContact CE-CD2 3.59Å; M351-F436 HydrophobicContact CE-CE1 4.28Å; M351-F436 HydrophobicContact CE-CE2 3.84Å; M351-F436 HydrophobicContact CE-CG 3.71Å; M351-F436 HydrophobicContact CE-CZ 4.18Å; M351-F436 HydrophobicContact CG-CB 3.94Å; M351-F436 HydrophobicContact CG-CD1 4.14Å; M351-F436 HydrophobicContact CG-CG 4.09Å; M351-F436 HydrophobicContact SD-CB 3.72Å; M351-F436 HydrophobicContact SD-CD1 4.39Å; M351-F436 HydrophobicContact SD-CD2 4.09Å; M351-F436 HydrophobicContact SD-CG 3.82Å; L388-F436 HydrophobicContact CB-CE1 4.15Å; L388-F436 HydrophobicContact CB-CZ 4.18Å; A389-F436 HydrophobicContact CB-CE1 4.22Å; F392-F436 HydrophobicContact CB-CE2 4.29Å; F392-F436 HydrophobicContact CB-CZ 4.06Å; F392-F436 HydrophobicContact CD2-CE2 4.03Å; F392-F436 HydrophobicContact CG-CE2 4.4Å; F414-F436 HydrophobicContact CE2-CE2 4.39Å; F414-F436 HydrophobicContact CE2-CZ 4.5Å; L432-F436 WeakPolarHBondContact O-CD2 3.47Å; L432-F436 PolarHBondContact O-N 2.76Å; M433-F436 PolarHBondContact O-N 3.48Å; F436-S438 PolarHBondContact O-N 3.14Å; F436-V439 WeakPolarHBondContact O-CG2 3.44Å; F436-V439 PolarHBondContact O-N 3.48Å; F436-T440 WeakPolarHBondContact O-CG2 3.46Å; F436-T440 PolarHBondContact O-N 3.15Å; F436-T440 PolarHBondContact O-OG1 3.35Å
437	K	98.3	Very high	98.1	Very high	59 Å²	59	31.4 Å²	31.4	26%	0.257	16%	0.155	S	C	.	.	H	α-helix	trans	-56.4	-47.8	173.9	-179.7	173.4	178.5	168.8	0	112.2	L347 M433 Y435 V439 T440 E441	L347-K437 HydrophobicContact CD1-CB 4.04Å; L347-K437 HydrophobicContact CD2-CB 4.23Å; M433-K437 VanDerWaalsContact O-CB 3.23Å; M433-K437 WeakPolarHBondContact O-CB 3.09Å; M433-K437 PolarHBondContact O-N 2.79Å; Y435-K437 VanDerWaalsContact C-N 3.3Å; Y435-K437 PolarHBondContact O-N 2.87Å; K437-V439 VanDerWaalsContact C-N 3.34Å; K437-V439 PolarHBondContact O-N 2.94Å; K437-T440 PolarHBondContact O-N 3.13Å; K437-T440 PolarHBondContact O-OG1 3.44Å; K437-E441 WeakPolarHBondContact CE-OE1 3.35Å; K437-E441 WeakPolarHBondContact CE-OE2 3.49Å; K437-E441 HydrophobicContact CG-CG 4.17Å; K437-E441 WeakPolarHBondContact CG-OE2 3.44Å; K437-E441 IonicContact NZ-OE1 3.6Å; K437-E441 VanDerWaalsContact O-CB 3.31Å; K437-E441 WeakPolarHBondContact O-CB 3.29Å; K437-E441 WeakPolarHBondContact O-CG 3.33Å; K437-E441 PolarHBondContact O-N 2.89Å
438	S	98.1	Very high	98.1	Very high	36 Å²	36	30.7 Å²	30.7	25%	0.252	15%	0.152	S	C	.	.	H	α-helix	trans	-60.1	-42.6	-179	-58.4	0	0	0	0	112.5	C434 Y435 F436 Q442	C434-S438 WeakPolarHBondContact O-CB 3.32Å; C434-S438 PolarHBondContact O-N 3.42Å; C434-S438 VanDerWaalsContact O-N 3.11Å; C434-S438 PolarHBondContact O-OG 3.04Å; Y435-S438 WeakPolarHBondContact O-CB 3.43Å; Y435-S438 PolarHBondContact O-N 2.73Å; F436-S438 PolarHBondContact O-N 3.14Å; S438-Q442 PolarHBondContact O-N 3.36Å
439	V	98.4	Very high	98.1	Very high	6 Å²	6	30.8 Å²	30.8	4%	0.036	15%	0.152	C	C	.	.	H	α-helix	trans	-83.5	-20.7	-176.3	-58.7	0	0	0	0	114.1	L354 A385 Y435 F436 K437 P444 Y542	L354-V439 HydrophobicContact CD2-CG2 4.44Å; A385-V439 HydrophobicContact CB-CB 4.16Å; A385-V439 HydrophobicContact CB-CG2 3.81Å; Y435-V439 HydrophobicContact CD2-CG1 4.07Å; Y435-V439 HydrophobicContact CE1-CG2 4.3Å; Y435-V439 HydrophobicContact CE2-CG1 3.63Å; Y435-V439 WeakPolarHBondContact O-CG2 3.29Å; Y435-V439 PolarHBondContact O-N 3.28Å; F436-V439 WeakPolarHBondContact O-CG2 3.44Å; F436-V439 PolarHBondContact O-N 3.48Å; K437-V439 VanDerWaalsContact C-N 3.34Å; K437-V439 PolarHBondContact O-N 2.94Å; V439-P444 HydrophobicContact CB-CG 4.41Å; V439-P444 HydrophobicContact CG1-CG 4.15Å; V439-Y542 HydrophobicContact CG1-CE1 3.78Å
440	T	97.9	Very high	98.1	Very high	33 Å²	33	30.7 Å²	30.7	20%	0.202	15%	0.152	C	C	.	.	H	α-helix	trans	-82.8	-40.7	170.8	57.5	0	0	0	0	112.1	D350 L354 F436 K437	D350-T440 HydrophobicContact CB-CG2 3.73Å; L354-T440 HydrophobicContact CD2-CG2 4.24Å; F436-T440 WeakPolarHBondContact O-CG2 3.46Å; F436-T440 PolarHBondContact O-N 3.15Å; F436-T440 PolarHBondContact O-OG1 3.35Å; K437-T440 PolarHBondContact O-N 3.13Å; K437-T440 PolarHBondContact O-OG1 3.44Å
441	E	96.4	Very high	98.1	Very high	128 Å²	128	29.1 Å²	29.1	60%	0.598	15%	0.148	S	C	*	.	H	α-helix	trans	-67.2	-40.6	174.8	-71.4	-177.8	147.8	0	0	111.9	K437	K437-E441 WeakPolarHBondContact CE-OE1 3.35Å; K437-E441 WeakPolarHBondContact CE-OE2 3.49Å; K437-E441 HydrophobicContact CG-CG 4.17Å; K437-E441 WeakPolarHBondContact CG-OE2 3.44Å; K437-E441 IonicContact NZ-OE1 3.6Å; K437-E441 VanDerWaalsContact O-CB 3.31Å; K437-E441 WeakPolarHBondContact O-CB 3.29Å; K437-E441 WeakPolarHBondContact O-CG 3.33Å; K437-E441 PolarHBondContact O-N 2.89Å
442	Q	95.9	Very high	98.1	Very high	156 Å²	156	29.2 Å²	29.2	73%	0.729	15%	0.148	S	C	*	.	S	Bend	trans	-134.6	108	177.3	-171.6	176.5	13.1	0	0	111.5	S438 P444	S438-Q442 PolarHBondContact O-N 3.36Å; Q442-P444 WeakPolarHBondContact O-CD 3.48Å
443	K	96.1	Very high	98	Very high	94 Å²	94	30.7 Å²	30.7	41%	0.409	16%	0.155	S	C	.	.			trans	-53.8	121.3	175.2	-67.8	-167.9	172.7	-149.4	0	111.1	V253 E382	V253-K443 HydrophobicContact CG2-CB 3.83Å; V253-K443 HydrophobicContact CG2-CD 4.35Å; E382-K443 WeakPolarHBondContact OE1-CE 3.41Å; E382-K443 IonicContact OE1-NZ 2.77Å; E382-K443 PolarHBondContact OE1-NZ 3.11Å; E382-K443 IonicContact OE2-NZ 2.63Å
444	P	96.9	Very high	97.9	Very high	13 Å²	13	34.7 Å²	34.7	8%	0.084	17%	0.169	C	C	.	.			trans	-74.7	142.7	-177.7	32.5	-37.3	0	0	0	111	Q381 V439 Q442	Q381-P444 HydrophobicContact CB-CB 3.51Å; Q381-P444 HydrophobicContact CB-CG 3.44Å; Q381-P444 VanDerWaalsContact CB-CG 3.44Å; Q381-P444 HydrophobicContact CG-CB 4.39Å; V439-P444 HydrophobicContact CB-CG 4.41Å; V439-P444 HydrophobicContact CG1-CG 4.15Å; Q442-P444 WeakPolarHBondContact O-CD 3.48Å
445	T	97.8	Very high	97.7	Very high	36 Å²	36	35.2 Å²	35.2	22%	0.221	17%	0.171	C	C	.	.			trans	-107.9	1.7	-166.9	52.5	0	0	0	0	114.5	V253	V253-T445 HydrophobicContact CG2-CG2 4.13Å
446	G	98.3	Very high	97.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.199	C	C	.	.			trans	-97.8	-178.7	-178.9	0	0	0	0	0	115.3	S380 Q381 R568	S380-G446 WeakPolarHBondContact CA-O 3.34Å; Q381-G446 PolarHBondContact N-O 3.38Å; Q381-G446 VanDerWaalsContact OE1-CA 3.22Å; G446-R568 VanDerWaalsContact CA-O 3.26Å; G446-R568 WeakPolarHBondContact CA-O 3.4Å
447	L	98.9	Very high	96.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	159.7	171.5	-54	-173.5	0	0	0	110.9	L232 I243 L248 P254 T378 M379 W567 R568 R569	L232-L447 HydrophobicContact CD2-CD1 3.54Å; I243-L447 HydrophobicContact CD1-CD1 4.03Å; I243-L447 HydrophobicContact CD1-CD2 4.44Å; I243-L447 HydrophobicContact CG1-CD1 4.1Å; I243-L447 HydrophobicContact CG1-CD2 3.91Å; I243-L447 HydrophobicContact CG2-CD2 4.4Å; L248-L447 HydrophobicContact CD1-CD1 4.14Å; L248-L447 HydrophobicContact CD1-CD2 4.41Å; L248-L447 HydrophobicContact CD1-CG 4.27Å; L248-L447 HydrophobicContact CD2-CD1 3.9Å; P254-L447 HydrophobicContact CB-CD2 3.88Å; P254-L447 HydrophobicContact CG-CD2 3.61Å; T378-L447 HydrophobicContact CG2-CB 3.9Å; T378-L447 HydrophobicContact CG2-CD1 3.7Å; T378-L447 HydrophobicContact CG2-CG 4.33Å; M379-L447 CarbonylContact O-C 3.35Å; M379-L447 VanDerWaalsContact O-CA 3.32Å; M379-L447 WeakPolarHBondContact O-CA 3.43Å; L447-W567 VanDerWaalsContact CD1-O 3.25Å; L447-W567 WeakPolarHBondContact CD1-O 3.38Å; L447-W567 WeakPolarHBondContact CG-O 3.38Å; L447-R568 PolarHBondContact N-O 3.12Å; L447-R569 HydrophobicContact CB-CG 4.02Å; L447-R569 WeakPolarHBondContact O-CA 3.21Å; L447-R569 WeakPolarHBondContact O-CG 3.46Å
448	V	98.9	Very high	96.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.4	167.7	-171.3	0	0	0	0	107.9	T378 M379 Q381 F450 V536 T537	T378-V448 WeakPolarHBondContact CA-O 3.42Å; M379-V448 PolarHBondContact N-O 3.43Å; M379-V448 PolarHBondContact O-N 2.66Å; Q381-V448 HydrophobicContact CG-CG2 3.92Å; V448-F450 HydrophobicContact CB-CE2 3.94Å; V448-F450 HydrophobicContact CB-CZ 4.23Å; V448-F450 HydrophobicContact CG1-CD2 4.31Å; V448-F450 HydrophobicContact CG1-CE1 4.25Å; V448-F450 HydrophobicContact CG1-CE2 3.64Å; V448-F450 HydrophobicContact CG1-CZ 3.58Å; V448-V536 HydrophobicContact CG1-CG1 3.6Å; V448-T537 WeakPolarHBondContact CA-O 3.12Å
449	T	98.9	Very high	96.5	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132.8	172.6	-56.7	0	0	0	0	109.8	I377 T378 V536 T537 R569	I377-T449 CarbonylContact O-C 3.45Å; I377-T449 WeakPolarHBondContact O-CA 3.4Å; T378-T449 PolarHBondContact OG1-OG1 2.9Å; T449-V536 CarbonylContact O-C 3.55Å; T449-V536 VanDerWaalsContact O-CA 3.29Å; T449-V536 WeakPolarHBondContact O-CA 3.35Å; T449-T537 PolarHBondContact N-O 2.9Å; T449-T537 PolarHBondContact O-N 3.14Å; T449-R569 WeakPolarHBondContact OG1-CD 3.31Å; T449-R569 PolarHBondContact OG1-NH1 2.86Å
450	F	98.9	Very high	96.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	117	171.7	-56.2	-95.8	0	0	0	108.3	L369 S376 I377 M379 V384 V448 V520 F524 L534 V536	L369-F450 HydrophobicContact CD1-CB 4.45Å; S376-F450 CarbonylContact C-O 3.58Å; S376-F450 VanDerWaalsContact CA-O 3.31Å; S376-F450 WeakPolarHBondContact CA-O 3.35Å; I377-F450 PolarHBondContact N-O 2.99Å; I377-F450 PolarHBondContact O-N 3.1Å; M379-F450 HydrophobicContact CG-CD2 4.47Å; M379-F450 HydrophobicContact CG-CE2 4.03Å; M379-F450 HydrophobicContact SD-CE2 4.06Å; V384-F450 HydrophobicContact CG2-CE2 4.49Å; V448-F450 HydrophobicContact CB-CE2 3.94Å; V448-F450 HydrophobicContact CB-CZ 4.23Å; V448-F450 HydrophobicContact CG1-CD2 4.31Å; V448-F450 HydrophobicContact CG1-CE1 4.25Å; V448-F450 HydrophobicContact CG1-CE2 3.64Å; V448-F450 HydrophobicContact CG1-CZ 3.58Å; F450-V520 HydrophobicContact CE1-CG1 3.85Å; F450-V520 HydrophobicContact CE2-CG1 3.89Å; F450-V520 HydrophobicContact CZ-CG1 3.31Å; F450-F524 HydrophobicContact CB-CE2 3.79Å; F450-F524 HydrophobicContact CB-CZ 4.1Å; F450-F524 HydrophobicContact CD1-CE2 4.16Å; F450-F524 AromaticContact CD1-CZ 3.95Å; F450-F524 HydrophobicContact CD1-CZ 3.95Å; F450-F524 HydrophobicContact CD2-CE2 4.29Å; F450-F524 AromaticContact CD2-CZ 3.71Å; F450-F524 HydrophobicContact CD2-CZ 3.71Å; F450-F524 HydrophobicContact CE1-CZ 4.32Å; F450-F524 HydrophobicContact CE2-CZ 4.1Å; F450-F524 AromaticContact CG-CE2 3.83Å; F450-F524 HydrophobicContact CG-CE2 3.83Å; F450-F524 AromaticContact CG-CZ 3.64Å; F450-F524 HydrophobicContact CG-CZ 3.64Å; F450-F524 HydrophobicContact CZ-CZ 4.4Å; F450-L534 HydrophobicContact CB-CD1 4.49Å; F450-V536 HydrophobicContact CD1-CB 4.34Å; F450-V536 HydrophobicContact CD1-CG1 3.72Å; F450-V536 HydrophobicContact CD1-CG2 3.68Å; F450-V536 HydrophobicContact CE1-CG1 3.63Å; F450-V536 HydrophobicContact CE1-CG2 4.13Å; F450-V536 HydrophobicContact CG-CG1 4.4Å; F450-V536 HydrophobicContact CZ-CG1 4.25Å
451	S	98.6	Very high	96.4	Very high	22 Å²	22	52 Å²	52	15%	0.154	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	111.2	-175.8	-63.5	0	0	0	0	109.6	S376 I535	S376-S451 WeakPolarHBondContact CB-OG 3.27Å; S376-S451 WeakPolarHBondContact OG-CB 3.47Å; S376-S451 PolarHBondContact OG-OG 3.16Å; S451-I535 PolarHBondContact N-O 3.22Å; S451-I535 PolarHBondContact O-N 3.47Å
452	R	98.5	Very high	96.4	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.011	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	123.8	164.9	-170.2	-177.5	-165.6	103.4	5.3	106.7	L369 K370 M373 S374 H375 E526 A527 E532	L369-R452 HydrophobicContact CB-CB 4.07Å; L369-R452 HydrophobicContact CD1-CB 4.2Å; L369-R452 HydrophobicContact CD2-CB 4.41Å; L369-R452 HydrophobicContact CG-CB 4.46Å; L369-R452 PolarHBondContact O-NH1 2.89Å; K370-R452 VanDerWaalsContact O-CD 3.23Å; K370-R452 WeakPolarHBondContact O-CD 3.23Å; K370-R452 PolarHBondContact O-NE 3.25Å; K370-R452 VanDerWaalsContact O-NE 3.17Å; M373-R452 WeakPolarHBondContact O-CD 3.4Å; M373-R452 WeakPolarHBondContact O-CG 3.48Å; S374-R452 WeakPolarHBondContact CA-O 3.26Å; H375-R452 PolarHBondContact N-O 3.27Å; H375-R452 VanDerWaalsContact N-O 3.1Å; H375-R452 PolarHBondContact O-N 2.87Å; R452-E526 PolarHBondContact NH1-O 2.79Å; R452-E526 PolarHBondContact NH2-O 3.3Å; R452-A527 PolarHBondContact NH2-O 2.77Å; R452-E532 IonicContact CZ-OE1 3.81Å; R452-E532 IonicContact CZ-OE2 2.7Å; R452-E532 IonicContact NE-OE1 2.8Å; R452-E532 PolarHBondContact NE-OE1 3.34Å; R452-E532 IonicContact NE-OE2 3.78Å; R452-E532 VanDerWaalsContact NH2-CD 3.3Å; R452-E532 IonicContact NH2-OE1 2.92Å; R452-E532 PolarHBondContact NH2-OE1 3.49Å; R452-E532 IonicContact NH2-OE2 3.35Å; R452-E532 PolarHBondContact NH2-OE2 2.86Å
453	Q	96.8	Very high	96.4	Very high	35 Å²	35	45.7 Å²	45.7	16%	0.164	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	137.8	178.7	166	166.3	-53.1	0	0	108.8	E532 C533 I535 C603 S606	Q453-E532 CarbonylContact O-C 3.27Å; Q453-E532 VanDerWaalsContact O-CA 3.3Å; Q453-E532 WeakPolarHBondContact O-CA 3.44Å; Q453-C533 PolarHBondContact N-O 2.63Å; Q453-C533 PolarHBondContact O-N 3.15Å; Q453-I535 HydrophobicContact CB-CD1 4.45Å; Q453-C603 PolarHBondContact NE2-O 2.93Å; Q453-S606 PolarHBondContact NE2-O 3.48Å
454	R	95.6	Very high	96.5	Very high	95 Å²	95	41.5 Å²	41.5	36%	0.358	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134	179.8	175.5	-176.9	147.8	172.2	-0.6	109.9	G372 S374 D456 N531 E532	G372-R454 WeakPolarHBondContact O-CD 3.37Å; G372-R454 PolarHBondContact O-NH1 3.47Å; S374-R454 PolarHBondContact OG-N 3.46Å; R454-D456 IonicContact CZ-OD1 3.88Å; R454-D456 IonicContact NE-OD1 3.27Å; R454-D456 PolarHBondContact NE-OD1 2.82Å; R454-D456 IonicContact NH2-OD1 3.68Å; R454-D456 PolarHBondContact NH2-OD1 3.26Å; R454-N531 WeakPolarHBondContact CA-O 3.21Å; R454-N531 WeakPolarHBondContact CG-ND2 3.47Å; R454-E532 HydrophobicContact CB-CG 4.22Å; R454-E532 HydrophobicContact CG-CG 4.26Å
455	L	93.9	Very high	96.6	Very high	20 Å²	20	46.1 Å²	46.1	11%	0.105	25%	0.253	C	S	.	.			trans	-85	107.8	171	-178.6	64.3	0	0	0	109.6	K457 P458 N531 N599 Y602 C603	L455-K457 VanDerWaalsContact CD1-O 3.3Å; L455-K457 WeakPolarHBondContact CD1-O 3.41Å; L455-P458 HydrophobicContact CD2-CB 4.15Å; L455-N531 HydrophobicContact CB-CB 4.34Å; L455-N531 PolarHBondContact N-O 3.4Å; L455-N531 PolarHBondContact O-ND2 2.97Å; L455-N599 HydrophobicContact CD2-CB 4.05Å; L455-N599 WeakPolarHBondContact CD2-O 3.45Å; L455-Y602 HydrophobicContact CD1-CD1 3.73Å; L455-Y602 HydrophobicContact CD1-CE1 3.7Å; L455-Y602 HydrophobicContact CD2-CD1 3.99Å; L455-C603 HydrophobicContact CB-CB 3.89Å; L455-C603 HydrophobicContact CD2-CB 4.25Å
456	D	90.3	Very high	96.6	Very high	107 Å²	107	46.6 Å²	46.6	57%	0.572	26%	0.256	S	S	*	.	S	Bend	trans	-84.3	-32.7	179	-79.1	-42.5	0	0	0	113.9	R454	R454-D456 IonicContact CZ-OD1 3.88Å; R454-D456 IonicContact NE-OD1 3.27Å; R454-D456 PolarHBondContact NE-OD1 2.82Å; R454-D456 IonicContact NH2-OD1 3.68Å; R454-D456 PolarHBondContact NH2-OD1 3.26Å
457	K	91.1	Very high	96.6	Very high	182 Å²	182	50.6 Å²	50.6	79%	0.791	28%	0.277	S	S	*	.	S	Bend	trans	-131.4	108.5	176.7	-66.9	-176.5	-178.8	179.6	0	108.4	L455	L455-K457 VanDerWaalsContact CD1-O 3.3Å; L455-K457 WeakPolarHBondContact CD1-O 3.41Å
458	P	92.9	Very high	96.6	Very high	73 Å²	73	51.4 Å²	51.4	47%	0.474	28%	0.281	S	S	.	.			trans	-67.3	155.7	173.1	29.5	-34.1	0	0	0	111	L455 N599	L455-P458 HydrophobicContact CD2-CB 4.15Å; P458-N599 VanDerWaalsContact CB-OD1 3.24Å; P458-N599 WeakPolarHBondContact CB-OD1 3.45Å
459	P	94.5	Very high	96.5	Very high	22 Å²	22	53 Å²	53	14%	0.143	29%	0.291	C	S	.	.			trans	-58.6	151.4	169.3	-22.9	34.6	0	0	0	112.1	W461 Y602	P459-W461 HydrophobicContact CB-CD2 4.35Å; P459-W461 HydrophobicContact CB-CZ2 4.17Å; P459-W461 HydrophobicContact CG-CH2 4.16Å; P459-W461 HydrophobicContact CG-CZ2 3.76Å; P459-W461 PolarHBondContact O-N 2.86Å; P459-Y602 HydrophobicContact CG-CD1 3.73Å; P459-Y602 HydrophobicContact CG-CD2 3.97Å; P459-Y602 HydrophobicContact CG-CE1 3.62Å; P459-Y602 HydrophobicContact CG-CE2 3.87Å; P459-Y602 HydrophobicContact CG-CG 3.89Å
460	D	96.5	Very high	96.5	Very high	96 Å²	96	57 Å²	57	51%	0.513	31%	0.305	S	S	.	.			trans	-81.9	89.5	162.7	-172.4	-24.5	0	0	0	108.8	T462 S463 S464	D460-T462 PolarHBondContact O-N 2.78Å; D460-T462 PolarHBondContact OD1-N 2.81Å; D460-T462 VanDerWaalsContact OD1-N 3.09Å; D460-T462 PolarHBondContact OD1-OG1 2.76Å; D460-S463 PolarHBondContact O-N 2.89Å; D460-S463 PolarHBondContact O-OG 3.1Å; D460-S463 PolarHBondContact OD1-N 3.02Å; D460-S464 PolarHBondContact O-N 2.84Å
461	W	98	Very high	96.5	Very high	7 Å²	7	57 Å²	57	3%	0.027	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-34.1	-178.6	-60	101.4	0	0	0	113.1	P459 L598 N599 Y602 L641 A642 E645 V678 G679 Y682	P459-W461 HydrophobicContact CB-CD2 4.35Å; P459-W461 HydrophobicContact CB-CZ2 4.17Å; P459-W461 HydrophobicContact CG-CH2 4.16Å; P459-W461 HydrophobicContact CG-CZ2 3.76Å; P459-W461 PolarHBondContact O-N 2.86Å; W461-L598 HydrophobicContact CD2-CB 4.25Å; W461-L598 HydrophobicContact CD2-CD1 3.95Å; W461-L598 HydrophobicContact CD2-CG 4.5Å; W461-L598 HydrophobicContact CE3-CD1 4.19Å; W461-L598 HydrophobicContact CE3-CD2 4.15Å; W461-L598 HydrophobicContact CG-CD1 4.16Å; W461-L598 HydrophobicContact CH2-CB 4.14Å; W461-L598 HydrophobicContact CH2-CD2 4.18Å; W461-L598 HydrophobicContact CZ2-CB 3.72Å; W461-L598 HydrophobicContact CZ3-CD2 3.94Å; W461-N599 PolarHBondContact NE1-OD1 3.27Å; W461-Y602 HydrophobicContact CH2-CD2 4.31Å; W461-Y602 HydrophobicContact CH2-CG 4.32Å; W461-Y602 HydrophobicContact CZ2-CG 4.37Å; W461-L641 HydrophobicContact CZ3-CB 4.42Å; W461-A642 HydrophobicContact CH2-CB 4.22Å; W461-E645 HydrophobicContact CE3-CG 4.07Å; W461-E645 HydrophobicContact CH2-CB 4.23Å; W461-E645 HydrophobicContact CH2-CG 3.9Å; W461-E645 HydrophobicContact CZ3-CB 4.16Å; W461-E645 HydrophobicContact CZ3-CG 3.4Å; W461-V678 HydrophobicContact CE3-CG1 3.84Å; W461-V678 HydrophobicContact CZ3-CG1 4.18Å; W461-G679 WeakPolarHBondContact O-CA 3.46Å; W461-Y682 HydrophobicContact CB-CD1 4.36Å; W461-Y682 HydrophobicContact CB-CD2 3.63Å; W461-Y682 HydrophobicContact CB-CE2 3.92Å; W461-Y682 HydrophobicContact CB-CG 3.87Å; W461-Y682 HydrophobicContact CG-CD2 4.3Å; W461-Y682 HydrophobicContact CG-CE2 4.45Å
462	T	96.8	Very high	96.5	Very high	71 Å²	71	56.4 Å²	56.4	44%	0.436	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-41	-176.3	58.5	0	0	0	0	112.6	D460 Y682	D460-T462 PolarHBondContact O-N 2.78Å; D460-T462 PolarHBondContact OD1-N 2.81Å; D460-T462 VanDerWaalsContact OD1-N 3.09Å; D460-T462 PolarHBondContact OD1-OG1 2.76Å; T462-Y682 HydrophobicContact CG2-CD1 3.8Å; T462-Y682 HydrophobicContact CG2-CE1 3.43Å; T462-Y682 VanDerWaalsContact CG2-CE1 3.43Å
463	S	96.5	Very high	96.6	Very high	81 Å²	81	56.2 Å²	56.2	57%	0.566	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-1	-176.6	74.1	0	0	0	0	114.7	D460 P465	D460-S463 PolarHBondContact O-N 2.89Å; D460-S463 PolarHBondContact O-OG 3.1Å; D460-S463 PolarHBondContact OD1-N 3.02Å; S463-P465 VanDerWaalsContact O-CD 3.31Å; S463-P465 WeakPolarHBondContact O-CD 3.39Å
464	S	97.9	Very high	96.6	Very high	7 Å²	7	55 Å²	55	5%	0.049	30%	0.295	C	S	.	.			trans	-68.7	120.6	-168	178	0	0	0	0	112.8	D460 T466 E645 G679	D460-S464 PolarHBondContact O-N 2.84Å; S464-T466 VanDerWaalsContact C-N 3.27Å; S464-T466 PolarHBondContact O-N 2.89Å; S464-T466 WeakPolarHBondContact OG-CB 3.21Å; S464-T466 PolarHBondContact OG-N 3.38Å; S464-T466 PolarHBondContact OG-OG1 3.15Å; S464-T466 VanDerWaalsContact OG-OG1 3.09Å; S464-E645 WeakPolarHBondContact CB-OE1 3.44Å; S464-E645 PolarHBondContact OG-OE1 3.16Å; S464-G679 PolarHBondContact O-N 3.49Å
465	P	98.1	Very high	96.8	Very high	110 Å²	110	50.9 Å²	50.9	71%	0.714	28%	0.28	S	S	*	.			trans	-84.8	2	174.3	38	-36.6	0	0	0	112.8	S463	S463-P465 VanDerWaalsContact O-CD 3.31Å; S463-P465 WeakPolarHBondContact O-CD 3.39Å
466	T	98.2	Very high	96.9	Very high	45 Å²	45	55.4 Å²	55.4	28%	0.276	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-63.5	137.9	-176.2	-55.5	0	0	0	0	110.6	S464 A644 E645 S677 V678	S464-T466 VanDerWaalsContact C-N 3.27Å; S464-T466 PolarHBondContact O-N 2.89Å; S464-T466 WeakPolarHBondContact OG-CB 3.21Å; S464-T466 PolarHBondContact OG-N 3.38Å; S464-T466 PolarHBondContact OG-OG1 3.15Å; S464-T466 VanDerWaalsContact OG-OG1 3.09Å; T466-A644 HydrophobicContact CG2-CB 4.11Å; T466-E645 WeakPolarHBondContact CB-OE1 3.24Å; T466-E645 PolarHBondContact OG1-OE1 3.23Å; T466-S677 CarbonylContact O-C 3.52Å; T466-S677 WeakPolarHBondContact O-CA 3.21Å; T466-V678 HydrophobicContact CG2-CG2 4.23Å; T466-V678 WeakPolarHBondContact O-CG2 3.42Å; T466-V678 PolarHBondContact O-N 2.9Å
467	L	98.6	Very high	97.2	Very high	85 Å²	85	51.8 Å²	51.8	45%	0.445	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	-93.6	152.1	173	-60.3	-178.2	0	0	0	111	T469 N675	L467-T469 PolarHBondContact O-N 3.09Å; L467-N675 HydrophobicContact CD1-CB 4.44Å; L467-N675 HydrophobicContact CD2-CB 4.32Å; L467-N675 VanDerWaalsContact CD2-O 3.27Å; L467-N675 WeakPolarHBondContact CD2-O 3.24Å
468	L	98.6	Very high	97.5	Very high	17 Å²	17	44.5 Å²	44.5	9%	0.089	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-57.7	134.3	175.4	-66.2	-179.5	0	0	0	111.7	M640 L641 A644 L671 T672	L468-M640 HydrophobicContact CD2-CB 4.18Å; L468-L641 HydrophobicContact CD2-CD2 3.87Å; L468-A644 HydrophobicContact CD2-CB 4.32Å; L468-L671 HydrophobicContact CD1-CB 4.03Å; L468-L671 HydrophobicContact CD1-CD1 4.03Å; L468-T672 HydrophobicContact CB-CG2 3.82Å
469	T	98.3	Very high	97.8	Very high	33 Å²	33	41 Å²	41	20%	0.202	24%	0.237	C	C	.	.			trans	-76.8	-179.8	176.1	49.8	0	0	0	0	111.8	L467 A644 R648 H668	L467-T469 PolarHBondContact O-N 3.09Å; T469-A644 HydrophobicContact CG2-CB 4.31Å; T469-R648 VanDerWaalsContact CB-O 3.29Å; T469-R648 WeakPolarHBondContact CB-O 3.37Å; T469-R648 WeakPolarHBondContact CG2-O 3.5Å; T469-R648 PolarHBondContact OG1-O 3.4Å; T469-H668 PolarHBondContact O-NE2 3.46Å
470	R	98.7	Very high	98	Very high	85 Å²	85	40.8 Å²	40.8	32%	0.321	23%	0.234	S	C	.	.			trans	-70.7	137.1	-176.3	-55.7	176.8	-64.8	156.4	3.2	110.9	T214 K218 D649 V650	T214-R470 HydrophobicContact CG2-CB 4.49Å; K218-R470 PolarHBondContact O-NH1 2.83Å; K218-R470 PolarHBondContact O-NH2 3.2Å; R470-D649 HydrophobicContact CB-CB 4.26Å; R470-D649 WeakPolarHBondContact CB-OD1 3.27Å; R470-D649 WeakPolarHBondContact CG-OD1 3.31Å; R470-D649 IonicContact CZ-OD1 3.91Å; R470-D649 IonicContact CZ-OD2 3.82Å; R470-D649 PolarHBondContact N-OD1 3.44Å; R470-D649 VanDerWaalsContact N-OD1 3.15Å; R470-D649 VanDerWaalsContact NE-CG 3.33Å; R470-D649 IonicContact NE-OD1 3.6Å; R470-D649 PolarHBondContact NE-OD1 3.46Å; R470-D649 IonicContact NE-OD2 3.72Å; R470-D649 PolarHBondContact NE-OD2 3.36Å; R470-D649 IonicContact NH2-OD1 2.86Å; R470-D649 IonicContact NH2-OD2 2.76Å; R470-D649 PolarHBondContact NH2-OD2 2.77Å; R470-D649 WeakPolarHBondContact O-CA 3.25Å; R470-D649 WeakPolarHBondContact O-CB 3.47Å; R470-V650 PolarHBondContact O-N 2.84Å
471	L	98.9	Very high	97.9	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.3	173	179.8	66.4	0	0	0	110.1	T214 I473 M640 V650 V664 H668	T214-L471 WeakPolarHBondContact CB-O 3.23Å; T214-L471 PolarHBondContact N-O 2.6Å; L471-I473 HydrophobicContact CD1-CB 4.28Å; L471-I473 HydrophobicContact CD2-CB 4.18Å; L471-I473 HydrophobicContact CD2-CG2 4.02Å; L471-I473 HydrophobicContact CG-CB 4.13Å; L471-I473 HydrophobicContact CG-CG2 4.28Å; L471-M640 HydrophobicContact CD1-SD 4.14Å; L471-M640 HydrophobicContact CD2-SD 3.93Å; L471-M640 HydrophobicContact CG-SD 4.48Å; L471-V650 CarbonylContact C-O 3.58Å; L471-V650 WeakPolarHBondContact CA-O 3.39Å; L471-V650 HydrophobicContact CD1-CB 4.01Å; L471-V650 HydrophobicContact CD1-CG1 3.93Å; L471-V664 HydrophobicContact CD2-CG1 4.25Å; L471-H668 HydrophobicContact CD2-CB 3.71Å
472	H	98.9	Very high	97.9	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.037	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	132.8	150.7	177.2	74.6	0	0	0	107.3	W211 T214 L219 V650 A651 Y652	W211-H472 AromaticContact CD2-CE1 3.72Å; W211-H472 AromaticContact CE3-CE1 3.49Å; W211-H472 VanDerWaalsContact CE3-CE1 3.49Å; W211-H472 AromaticContact CE3-ND1 3.6Å; W211-H472 AromaticContact CG-CE1 3.81Å; T214-H472 VanDerWaalsContact O-CB 3.3Å; T214-H472 WeakPolarHBondContact O-CB 3.46Å; T214-H472 PolarHBondContact O-ND1 2.96Å; L219-H472 HydrophobicContact CD1-CB 3.67Å; H472-V650 PolarHBondContact N-O 2.95Å; H472-A651 CarbonylContact O-C 3.3Å; H472-A651 WeakPolarHBondContact O-CA 3.37Å; H472-Y652 PolarHBondContact O-N 2.95Å
473	I	98.8	Very high	98	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	135.4	175.4	-173	166.2	0	0	0	110.9	W211 L212 L471 Y652 T654 M661 V664 H665	W211-I473 CarbonylContact C-O 3.49Å; W211-I473 VanDerWaalsContact CA-O 3.23Å; W211-I473 WeakPolarHBondContact CA-O 3.3Å; W211-I473 WeakPolarHBondContact CB-O 3.1Å; L212-I473 HydrophobicContact CB-CG2 4.09Å; L212-I473 PolarHBondContact N-O 2.92Å; L212-I473 PolarHBondContact O-N 2.85Å; L212-I473 VanDerWaalsContact O-N 3.1Å; L471-I473 HydrophobicContact CD1-CB 4.28Å; L471-I473 HydrophobicContact CD2-CB 4.18Å; L471-I473 HydrophobicContact CD2-CG2 4.02Å; L471-I473 HydrophobicContact CG-CB 4.13Å; L471-I473 HydrophobicContact CG-CG2 4.28Å; I473-Y652 WeakPolarHBondContact CA-O 3.35Å; I473-Y652 HydrophobicContact CD1-CD1 3.81Å; I473-Y652 HydrophobicContact CD1-CG 4.19Å; I473-Y652 HydrophobicContact CG1-CD1 4.06Å; I473-Y652 HydrophobicContact CG1-CG 4.39Å; I473-Y652 WeakPolarHBondContact CG1-O 3.41Å; I473-T654 HydrophobicContact CD1-CG2 3.89Å; I473-T654 HydrophobicContact CG1-CG2 3.9Å; I473-M661 HydrophobicContact CG1-CB 4.39Å; I473-M661 HydrophobicContact CG1-CG 4.1Å; I473-M661 HydrophobicContact CG2-CG 4.15Å; I473-V664 HydrophobicContact CD1-CB 3.58Å; I473-V664 HydrophobicContact CD1-CG1 3.57Å; I473-V664 HydrophobicContact CD1-CG2 4.38Å; I473-H665 HydrophobicContact CG2-CB 3.85Å
474	T	98.7	Very high	97.9	Very high	10 Å²	10	39.2 Å²	39.2	6%	0.061	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	144.5	-171.9	173.2	0	0	0	0	111.2	T210 E476 Y652 F653 T654	T210-T474 WeakPolarHBondContact O-CA 3.16Å; T210-T474 PolarHBondContact O-OG1 3.45Å; T474-E476 WeakPolarHBondContact CG2-O 3.2Å; T474-E476 PolarHBondContact OG1-N 2.86Å; T474-E476 PolarHBondContact OG1-O 3.32Å; T474-Y652 PolarHBondContact N-O 3.25Å; T474-F653 HydrophobicContact CG2-CD1 3.37Å; T474-F653 HydrophobicContact CG2-CE1 3.53Å; T474-F653 HydrophobicContact CG2-CG 4.16Å; T474-F653 HydrophobicContact CG2-CZ 4.42Å; T474-T654 PolarHBondContact O-N 2.87Å; T474-T654 PolarHBondContact O-OG1 2.76Å
475	C	97.8	Very high	97.9	Very high	8 Å²	8	38.9 Å²	38.9	5%	0.054	21%	0.211	C	C	.	.	S	Bend	trans	-87.3	-20.4	170.4	68.2	0	0	0	0	112.5	T210 T654 G656 N658 M661	T210-C475 PolarHBondContact O-N 2.76Å; T210-C475 PolarHBondContact O-SG 3.04Å; C475-T654 WeakPolarHBondContact CA-OG1 3.21Å; C475-G656 WeakPolarHBondContact O-CA 3.37Å; C475-G656 PolarHBondContact O-N 3.47Å; C475-N658 PolarHBondContact SG-OD1 2.93Å; C475-M661 HydrophobicContact CB-SD 4.03Å; C475-M661 PolarHBondContact N-SD 3.49Å
476	E	96.8	Very high	97.9	Very high	115 Å²	115	33.7 Å²	33.7	54%	0.537	18%	0.177	S	C	.	.	S	Bend	trans	-102	164.2	176.5	-65	-176.4	157.1	0	0	111.6	T210 T474	T210-E476 WeakPolarHBondContact CB-OE2 3.32Å; T210-E476 VanDerWaalsContact CG2-CD 3.5Å; T210-E476 HydrophobicContact CG2-CG 4.25Å; T210-E476 WeakPolarHBondContact CG2-OE2 3.29Å; T474-E476 WeakPolarHBondContact CG2-O 3.2Å; T474-E476 PolarHBondContact OG1-N 2.86Å; T474-E476 PolarHBondContact OG1-O 3.32Å
477	G	96.8	Very high	97.9	Very high	31 Å²	31	31.6 Å²	31.6	32%	0.32	16%	0.164	S	C	.	.	S	Bend	trans	86.9	178.3	178.4	0	0	0	0	0	115.4	D482	G477-D482 WeakPolarHBondContact CA-OD2 3.32Å
478	T	98.1	Very high	97.9	Very high	29 Å²	29	27.7 Å²	27.7	18%	0.178	14%	0.143	C	C	.	.			trans	-132.3	161.9	-178	73.2	0	0	0	0	111.9	E480 D481 D482 G483 F653	T478-E480 VanDerWaalsContact C-N 3.33Å; T478-E480 WeakPolarHBondContact CB-OE2 3.5Å; T478-D481 VanDerWaalsContact OG1-CB 3.28Å; T478-D481 WeakPolarHBondContact OG1-CB 3.42Å; T478-D481 PolarHBondContact OG1-N 2.88Å; T478-D481 PolarHBondContact OG1-OD2 3.25Å; T478-D482 PolarHBondContact N-OD2 2.88Å; T478-D482 WeakPolarHBondContact O-CB 3.29Å; T478-D482 PolarHBondContact O-N 3.1Å; T478-G483 PolarHBondContact O-N 2.78Å; T478-F653 WeakPolarHBondContact O-CZ 3.48Å
479	I	98.6	Very high	98	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-37.1	177.5	-69.9	170.2	0	0	0	110.4	G483 Q488 F491 A619 F653 F655	I479-G483 WeakPolarHBondContact O-CA 3.19Å; I479-G483 PolarHBondContact O-N 3.11Å; I479-Q488 HydrophobicContact CG2-CB 3.67Å; I479-Q488 HydrophobicContact CG2-CG 3.95Å; I479-Q488 PolarHBondContact O-NE2 2.95Å; I479-F491 HydrophobicContact CD1-CE1 4.09Å; I479-F491 HydrophobicContact CD1-CE2 4.4Å; I479-F491 HydrophobicContact CD1-CZ 3.67Å; I479-A619 HydrophobicContact CG2-CB 4.14Å; I479-A619 WeakPolarHBondContact CG2-O 3.34Å; I479-F653 HydrophobicContact CG1-CD2 3.8Å; I479-F653 HydrophobicContact CG1-CE2 4.44Å; I479-F653 HydrophobicContact CG1-CG 4.42Å; I479-F655 HydrophobicContact CD1-CZ 3.92Å; I479-F655 HydrophobicContact CG1-CZ 4.2Å
480	E	97.8	Very high	98	Very high	17 Å²	17	25.3 Å²	25.3	8%	0.079	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-43.9	-177.3	55.6	-91.1	-128.6	0	0	113.5	T478 Q488 I514 Y545	T478-E480 VanDerWaalsContact C-N 3.33Å; T478-E480 WeakPolarHBondContact CB-OE2 3.5Å; E480-Q488 PolarHBondContact O-NE2 2.9Å; E480-I514 HydrophobicContact CB-CD1 4.47Å; E480-I514 HydrophobicContact CG-CD1 4.11Å; E480-Y545 WeakPolarHBondContact OE1-CE1 3.18Å; E480-Y545 PolarHBondContact OE1-OH 3.41Å
481	D	95.8	Very high	98	Very high	84 Å²	84	22.9 Å²	22.9	45%	0.449	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-58.8	-175.3	-56.5	-65.5	0	0	0	110.8	T478 Y484	T478-D481 VanDerWaalsContact OG1-CB 3.28Å; T478-D481 WeakPolarHBondContact OG1-CB 3.42Å; T478-D481 PolarHBondContact OG1-N 2.88Å; T478-D481 PolarHBondContact OG1-OD2 3.25Å; D481-Y484 PolarHBondContact O-N 2.86Å
482	D	97.8	Very high	97.9	Very high	71 Å²	71	22.8 Å²	22.8	38%	0.38	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-24.4	-174.6	-57.9	-83.4	0	0	0	113.1	R221 G477 T478 Y484 F653	R221-D482 PolarHBondContact NH1-O 3.31Å; R221-D482 PolarHBondContact NH2-O 3.46Å; G477-D482 WeakPolarHBondContact CA-OD2 3.32Å; T478-D482 PolarHBondContact N-OD2 2.88Å; T478-D482 WeakPolarHBondContact O-CB 3.29Å; T478-D482 PolarHBondContact O-N 3.1Å; D482-Y484 VanDerWaalsContact C-N 3.26Å; D482-Y484 PolarHBondContact O-N 3.27Å; D482-F653 HydrophobicContact CB-CE1 3.68Å; D482-F653 HydrophobicContact CB-CZ 3.76Å
483	G	97.6	Very high	97.9	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	11.9	172.9	0	0	0	0	0	114.6	T478 I479 G485 M486 Q488	T478-G483 PolarHBondContact O-N 2.78Å; I479-G483 WeakPolarHBondContact O-CA 3.19Å; I479-G483 PolarHBondContact O-N 3.11Å; G483-G485 PolarHBondContact O-N 3.07Å; G483-M486 WeakPolarHBondContact O-CB 3.47Å; G483-M486 PolarHBondContact O-N 3.4Å; G483-Q488 PolarHBondContact O-NE2 2.98Å
484	Y	95.4	Very high	97.8	Very high	66 Å²	66	29.7 Å²	29.7	26%	0.259	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.4	133.3	176.7	158.4	-84.5	0	0	0	113.1	R221 D481 D482 M486 T562 P563	R221-Y484 WeakPolarHBondContact CD-O 3.15Å; R221-Y484 PolarHBondContact NH1-O 2.82Å; D481-Y484 PolarHBondContact O-N 2.86Å; D482-Y484 VanDerWaalsContact C-N 3.26Å; D482-Y484 PolarHBondContact O-N 3.27Å; Y484-M486 PolarHBondContact O-N 3.02Å; Y484-M486 VanDerWaalsContact O-N 3.07Å; Y484-T562 HydrophobicContact CD2-CG2 4.28Å; Y484-T562 HydrophobicContact CE2-CG2 3.69Å; Y484-P563 WeakPolarHBondContact OH-CD 3.43Å; Y484-P563 WeakPolarHBondContact OH-CG 3.46Å
485	G	97.2	Very high	97.8	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.01	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	-3.2	-179.6	0	0	0	0	0	115.8	R221 M222 G483 A616	R221-G485 CarbonylContact C-O 3.56Å; R221-G485 WeakPolarHBondContact CA-O 3.45Å; M222-G485 WeakPolarHBondContact CB-O 3.23Å; M222-G485 PolarHBondContact N-O 2.99Å; M222-G485 WeakPolarHBondContact O-CA 3.21Å; G483-G485 PolarHBondContact O-N 3.07Å; G485-A616 WeakPolarHBondContact O-CB 3.4Å
486	M	98.6	Very high	97.9	Very high	1 Å²	1	32 Å²	32	1%	0.005	16%	0.161	C	C	.	.	S	Bend	trans	-83.8	169.2	170.1	-62	179.5	168.6	0	0	110.8	I216 L219 R221 G483 Y484 Q488 A617 A619 A651	I216-M486 HydrophobicContact CG1-CE 4.03Å; L219-M486 HydrophobicContact CB-CE 3.58Å; L219-M486 HydrophobicContact CD1-CE 3.77Å; L219-M486 HydrophobicContact CG-CE 4.3Å; R221-M486 HydrophobicContact CG-CE 4.28Å; R221-M486 HydrophobicContact CG-CG 4.11Å; G483-M486 WeakPolarHBondContact O-CB 3.47Å; G483-M486 PolarHBondContact O-N 3.4Å; Y484-M486 PolarHBondContact O-N 3.02Å; Y484-M486 VanDerWaalsContact O-N 3.07Å; M486-Q488 PolarHBondContact O-N 2.92Å; M486-A617 WeakPolarHBondContact CB-O 3.18Å; M486-A617 HydrophobicContact CE-CB 4.07Å; M486-A617 HydrophobicContact CG-CB 4.28Å; M486-A617 HydrophobicContact SD-CB 4.18Å; M486-A619 HydrophobicContact CB-CB 3.76Å; M486-A619 HydrophobicContact CG-CB 4.44Å; M486-A619 HydrophobicContact SD-CB 3.88Å; M486-A651 HydrophobicContact CE-CB 4.08Å; M486-A651 HydrophobicContact SD-CB 3.67Å
487	L	98.8	Very high	97.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	105.9	164.2	175.1	64.1	0	0	0	108.3	E573 V575 F605 A617 V618 A619	L487-E573 HydrophobicContact CD1-CB 4.4Å; L487-E573 HydrophobicContact CD1-CG 3.75Å; L487-V575 HydrophobicContact CD1-CB 3.9Å; L487-V575 HydrophobicContact CD1-CG1 3.68Å; L487-V575 HydrophobicContact CD2-CG1 4.07Å; L487-V575 HydrophobicContact CG-CG1 3.8Å; L487-F605 HydrophobicContact CD2-CD1 4.14Å; L487-A617 PolarHBondContact N-O 3.42Å; L487-V618 HydrophobicContact CD2-CG2 4.44Å; L487-V618 CarbonylContact O-C 3.49Å; L487-V618 WeakPolarHBondContact O-CA 3.45Å; L487-A619 PolarHBondContact O-N 3.33Å
488	Q	98.9	Very high	97.9	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.009	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	124.3	-172	-67.7	-178.5	5.7	0	0	111	I479 E480 G483 M486 E573 I574 V575 A619	I479-Q488 HydrophobicContact CG2-CB 3.67Å; I479-Q488 HydrophobicContact CG2-CG 3.95Å; I479-Q488 PolarHBondContact O-NE2 2.95Å; E480-Q488 PolarHBondContact O-NE2 2.9Å; G483-Q488 PolarHBondContact O-NE2 2.98Å; M486-Q488 PolarHBondContact O-N 2.92Å; Q488-E573 PolarHBondContact N-O 3.16Å; Q488-I574 HydrophobicContact CB-CG1 4.43Å; Q488-I574 CarbonylContact O-C 3.56Å; Q488-I574 VanDerWaalsContact O-CA 3.26Å; Q488-I574 WeakPolarHBondContact O-CA 3.4Å; Q488-V575 PolarHBondContact O-N 3.28Å; Q488-A619 HydrophobicContact CG-CB 4.13Å
489	V	98.9	Very high	97.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	124.3	-175.5	-175.6	0	0	0	0	111.2	F491 Q507 V575 I577 F605 V618 A619	V489-F491 HydrophobicContact CB-CE1 4.24Å; V489-F491 HydrophobicContact CG1-CD1 3.87Å; V489-F491 HydrophobicContact CG1-CE1 3.97Å; V489-Q507 PolarHBondContact O-NE2 2.94Å; V489-V575 HydrophobicContact CG2-CG1 4.26Å; V489-I577 HydrophobicContact CG1-CD1 3.83Å; V489-I577 HydrophobicContact CG1-CG1 3.73Å; V489-F605 HydrophobicContact CG2-CE1 3.73Å; V489-F605 HydrophobicContact CG2-CZ 4.33Å; V489-V618 HydrophobicContact CG2-CG1 3.6Å; V489-A619 PolarHBondContact N-O 3.31Å
490	D	98.8	Very high	97.9	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	122.9	164.7	169	37	0	0	0	109.1	A492 E508 F512 I574 V575 A576 I577	D490-A492 PolarHBondContact O-N 2.95Å; D490-E508 WeakPolarHBondContact OD1-CA 3.42Å; D490-E508 WeakPolarHBondContact OD1-CB 3.27Å; D490-E508 WeakPolarHBondContact OD1-CG 3.25Å; D490-F512 WeakPolarHBondContact OD2-CE2 3.23Å; D490-I574 HydrophobicContact CB-CG2 3.89Å; D490-V575 PolarHBondContact N-O 3.04Å; D490-A576 HydrophobicContact CB-CB 4.34Å; D490-A576 WeakPolarHBondContact OD2-CB 3.32Å; D490-I577 PolarHBondContact O-N 2.87Å
491	F	98.4	Very high	97.7	Very high	34 Å²	34	24.7 Å²	24.7	15%	0.149	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	63.7	-178.4	-57.5	-21.8	0	0	0	110.2	I479 V489 Q507 W623 F655	I479-F491 HydrophobicContact CD1-CE1 4.09Å; I479-F491 HydrophobicContact CD1-CE2 4.4Å; I479-F491 HydrophobicContact CD1-CZ 3.67Å; V489-F491 HydrophobicContact CB-CE1 4.24Å; V489-F491 HydrophobicContact CG1-CD1 3.87Å; V489-F491 HydrophobicContact CG1-CE1 3.97Å; F491-Q507 HydrophobicContact CD2-CB 3.96Å; F491-Q507 HydrophobicContact CD2-CG 3.84Å; F491-Q507 HydrophobicContact CE2-CG 4.14Å; F491-Q507 HydrophobicContact CG-CG 4.45Å; F491-W623 HydrophobicContact CD1-CB 3.8Å; F491-W623 AromaticContact CD1-CD1 3.64Å; F491-W623 HydrophobicContact CD1-CG 4.1Å; F491-W623 HydrophobicContact CE1-CB 3.84Å; F491-W623 HydrophobicContact CG-CB 4.48Å; F491-F655 HydrophobicContact CE2-CE2 4.02Å; F491-F655 HydrophobicContact CE2-CZ 4.32Å; F491-F655 HydrophobicContact CZ-CE2 4.29Å; F491-F655 HydrophobicContact CZ-CZ 4.46Å
492	A	97.8	Very high	97.7	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	160.4	-158	0	0	0	0	0	114.5	D490 E508 A576 I577 D578	D490-A492 PolarHBondContact O-N 2.95Å; A492-E508 WeakPolarHBondContact CA-OE1 3.4Å; A492-A576 HydrophobicContact CB-CB 3.76Å; A492-I577 PolarHBondContact N-O 3.07Å; A492-D578 VanDerWaalsContact O-CA 3.27Å; A492-D578 WeakPolarHBondContact O-CA 3.4Å; A492-D578 WeakPolarHBondContact O-CB 3.5Å
493	N	98.3	Very high	97.6	Very high	50 Å²	50	19.9 Å²	19.9	27%	0.267	11%	0.11	S	C	.	.			trans	-84.3	147.9	150.8	-163	-82.3	0	0	0	109.1	F495 V496 E508	N493-F495 CarbonylContact O-C 3.2Å; N493-F495 VanDerWaalsContact O-C 3.27Å; N493-F495 PolarHBondContact O-N 2.64Å; N493-F495 PolarHBondContact OD1-N 3.18Å; N493-V496 WeakPolarHBondContact O-CA 3.21Å; N493-V496 PolarHBondContact O-N 2.88Å; N493-E508 PolarHBondContact N-OE1 3.05Å; N493-E508 PolarHBondContact N-OE2 2.77Å
494	K	97.9	Very high	97.5	Very high	103 Å²	103	20.9 Å²	20.9	45%	0.448	12%	0.119	S	C	.	.	S	Bend	trans	-56.1	-26.6	173.2	72	177	-174.3	173.7	0	113.1	V496 A527 L528 D578	K494-V496 PolarHBondContact O-N 3.19Å; K494-A527 CarbonylContact O-C 3.58Å; K494-A527 VanDerWaalsContact O-CA 3.27Å; K494-A527 WeakPolarHBondContact O-CA 3.41Å; K494-L528 HydrophobicContact CB-CB 4.35Å; K494-L528 PolarHBondContact O-N 2.98Å; K494-D578 HydrophobicContact CB-CB 4.06Å
495	F	98.3	Very high	97.6	Very high	64 Å²	64	17.8 Å²	17.8	28%	0.281	11%	0.107	S	C	.	.	S	Bend	trans	-88.1	85.5	161.8	-66.7	-86.3	0	0	0	109.6	P410 N493 G498 A527	P410-F495 HydrophobicContact CB-CB 4.32Å; P410-F495 HydrophobicContact CG-CB 4.04Å; P410-F495 HydrophobicContact CG-CD1 4.28Å; N493-F495 CarbonylContact O-C 3.2Å; N493-F495 VanDerWaalsContact O-C 3.27Å; N493-F495 PolarHBondContact O-N 2.64Å; N493-F495 PolarHBondContact OD1-N 3.18Å; F495-G498 WeakPolarHBondContact O-CA 3.39Å; F495-G498 PolarHBondContact O-N 2.8Å; F495-A527 HydrophobicContact CD1-CB 3.95Å; F495-A527 HydrophobicContact CE1-CB 3.79Å; F495-A527 HydrophobicContact CE2-CB 4.41Å; F495-A527 HydrophobicContact CG-CB 4.35Å; F495-A527 HydrophobicContact CZ-CB 4.03Å
496	V	98.5	Very high	97.6	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.006	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-43.4	139.6	-170	-63.3	0	0	0	0	115.1	P410 N493 K494 G498 F512 R522 T525 L528 L534 A576	P410-V496 HydrophobicContact CG-CG2 4.32Å; N493-V496 WeakPolarHBondContact O-CA 3.21Å; N493-V496 PolarHBondContact O-N 2.88Å; K494-V496 PolarHBondContact O-N 3.19Å; V496-G498 PolarHBondContact O-N 3.47Å; V496-F512 HydrophobicContact CB-CZ 4.48Å; V496-R522 HydrophobicContact CG2-CG 4.48Å; V496-R522 WeakPolarHBondContact O-CG 3.2Å; V496-R522 PolarHBondContact O-NH1 2.92Å; V496-T525 HydrophobicContact CG2-CG2 4.19Å; V496-L528 HydrophobicContact CG1-CD1 3.95Å; V496-L528 HydrophobicContact CG1-CG 4.22Å; V496-L534 HydrophobicContact CB-CD2 4.46Å; V496-L534 HydrophobicContact CG1-CB 4.39Å; V496-L534 HydrophobicContact CG1-CD2 4.19Å; V496-L534 HydrophobicContact CG2-CD2 4.27Å; V496-A576 HydrophobicContact CG1-CB 4.17Å
497	G	98	Very high	97.6	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	10.2	-170.5	0	0	0	0	0	113.9	G499 V500 E508 F512 R522	G497-G499 PolarHBondContact O-N 3.1Å; G497-V500 WeakPolarHBondContact O-CB 3.25Å; G497-V500 WeakPolarHBondContact O-CG1 3.33Å; G497-V500 PolarHBondContact O-N 2.84Å; G497-E508 VanDerWaalsContact C-CD 3.47Å; G497-E508 VanDerWaalsContact CA-OE1 3.3Å; G497-E508 WeakPolarHBondContact CA-OE1 3.42Å; G497-E508 PolarHBondContact N-OE1 2.86Å; G497-F512 VanDerWaalsContact CA-CZ 3.47Å; G497-F512 VanDerWaalsContact N-CZ 3.34Å; G497-R522 PolarHBondContact O-NH1 2.98Å; G497-R522 VanDerWaalsContact O-NH1 3.15Å
498	G	96.9	Very high	97.6	Very high	18 Å²	18	21 Å²	21	19%	0.186	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	34.5	-113.3	174.7	0	0	0	0	0	115.4	F495 V496 E508 R522	F495-G498 WeakPolarHBondContact O-CA 3.39Å; F495-G498 PolarHBondContact O-N 2.8Å; V496-G498 PolarHBondContact O-N 3.47Å; G498-E508 WeakPolarHBondContact CA-OE2 3.14Å; G498-E508 PolarHBondContact N-OE1 2.85Å; G498-E508 PolarHBondContact N-OE2 3.32Å; G498-E508 VanDerWaalsContact N-OE2 3.08Å; G498-R522 PolarHBondContact O-NH1 2.95Å; G498-R522 PolarHBondContact O-NH2 3.48Å
499	G	97.1	Very high	97.5	Very high	19 Å²	19	21.6 Å²	21.6	20%	0.196	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	24.3	179.3	0	0	0	0	0	115.3	K428 G497 I501 G502 A503 G504 E509	K428-G499 PolarHBondContact NZ-O 2.85Å; G497-G499 PolarHBondContact O-N 3.1Å; G499-I501 PolarHBondContact O-N 3.15Å; G499-G502 CarbonylContact O-C 3.55Å; G499-G502 WeakPolarHBondContact O-CA 3.33Å; G499-G502 PolarHBondContact O-N 2.87Å; G499-A503 PolarHBondContact O-N 2.88Å; G499-G504 PolarHBondContact O-N 3.19Å; G499-E509 VanDerWaalsContact C-CG 3.48Å; G499-E509 VanDerWaalsContact CA-OE1 3.25Å; G499-E509 WeakPolarHBondContact CA-OE1 3.48Å; G499-E509 PolarHBondContact N-OE1 3.45Å
500	V	98.4	Very high	97.5	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.006	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-45.5	-171.3	67.5	0	0	0	0	113.3	K428 G497 G502 E509 F512 L513 I519	K428-V500 WeakPolarHBondContact CE-O 3.38Å; K428-V500 PolarHBondContact NZ-O 3.16Å; G497-V500 WeakPolarHBondContact O-CB 3.25Å; G497-V500 WeakPolarHBondContact O-CG1 3.33Å; G497-V500 PolarHBondContact O-N 2.84Å; V500-G502 VanDerWaalsContact C-N 3.26Å; V500-G502 PolarHBondContact O-N 2.96Å; V500-E509 HydrophobicContact CB-CB 4.25Å; V500-E509 HydrophobicContact CB-CG 4.02Å; V500-E509 HydrophobicContact CG2-CB 4.46Å; V500-E509 VanDerWaalsContact N-CG 3.3Å; V500-F512 HydrophobicContact CB-CB 4.12Å; V500-F512 HydrophobicContact CG1-CB 4.37Å; V500-F512 HydrophobicContact CG1-CD1 4.35Å; V500-F512 HydrophobicContact CG2-CB 3.7Å; V500-L513 HydrophobicContact CG2-CD2 4.06Å; V500-L513 HydrophobicContact CG2-CG 3.84Å; V500-I519 HydrophobicContact CG1-CG1 4.2Å; V500-I519 HydrophobicContact CG2-CD1 4.19Å; V500-I519 HydrophobicContact CG2-CG1 4.34Å
501	I	95.1	Very high	97.5	Very high	1 Å²	1	22 Å²	22	1%	0.005	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	1.8	170.7	65.9	175	0	0	0	112.9	D411 N413 F414 R416 L417 G499 I519	D411-I501 HydrophobicContact CB-CD1 3.99Å; D411-I501 WeakPolarHBondContact O-CD1 3.36Å; N413-I501 WeakPolarHBondContact O-CD1 3.45Å; F414-I501 HydrophobicContact CD1-CB 4.43Å; F414-I501 HydrophobicContact CD1-CD1 4.49Å; F414-I501 HydrophobicContact CD1-CG2 3.62Å; F414-I501 HydrophobicContact CE1-CG2 3.63Å; F414-I501 HydrophobicContact CG-CG2 4.25Å; F414-I501 HydrophobicContact CZ-CG2 4.24Å; R416-I501 CarbonylContact C-O 3.06Å; R416-I501 WeakPolarHBondContact CB-O 3.3Å; L417-I501 WeakPolarHBondContact CA-O 3.44Å; L417-I501 PolarHBondContact N-O 3.47Å; G499-I501 PolarHBondContact O-N 3.15Å; I501-I519 HydrophobicContact CG2-CG2 4.35Å
502	G	94.8	Very high	97.6	Very high	4 Å²	4	20.6 Å²	20.6	4%	0.041	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-136.4	177.2	0	0	0	0	0	112.2	K425 K428 G499 V500	K425-G502 VanDerWaalsContact NZ-C 3.32Å; K425-G502 PolarHBondContact NZ-O 3.23Å; K428-G502 PolarHBondContact NZ-O 3.44Å; G499-G502 CarbonylContact O-C 3.55Å; G499-G502 WeakPolarHBondContact O-CA 3.33Å; G499-G502 PolarHBondContact O-N 2.87Å; V500-G502 VanDerWaalsContact C-N 3.26Å; V500-G502 PolarHBondContact O-N 2.96Å
503	A	95.5	Very high	97.6	Very high	51 Å²	51	20.6 Å²	20.6	42%	0.421	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-3.5	-174.3	0	0	0	0	0	115	R424 G499	R424-A503 VanDerWaalsContact CZ-O 3.25Å; R424-A503 PolarHBondContact NH1-O 3.31Å; R424-A503 PolarHBondContact NH2-O 2.94Å; G499-A503 PolarHBondContact O-N 2.88Å
504	G	96.3	Very high	97.6	Very high	20 Å²	20	18.2 Å²	18.2	21%	0.206	11%	0.11	C	C	.	.			trans	-72.2	147	176	0	0	0	0	0	111.3	K428 G499 E509	K428-G504 WeakPolarHBondContact CE-O 3.46Å; K428-G504 PolarHBondContact NZ-O 3.36Å; G499-G504 PolarHBondContact O-N 3.19Å; G504-E509 VanDerWaalsContact CA-CD 3.43Å; G504-E509 WeakPolarHBondContact CA-OE1 3.48Å; G504-E509 WeakPolarHBondContact CA-OE2 3.36Å
505	L	97.6	Very high	97.7	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	9%	0.089	C	C	.	.			trans	-155.9	40.8	177.1	-164.6	48	0	0	0	110.4	R424 K428 E509 I510 L513 S549 Y552	R424-L505 HydrophobicContact CB-CD2 3.72Å; R424-L505 HydrophobicContact CG-CD2 3.87Å; K428-L505 HydrophobicContact CG-CD1 4.42Å; L505-E509 PolarHBondContact N-OE2 2.81Å; L505-I510 HydrophobicContact CD1-CG1 3.82Å; L505-I510 HydrophobicContact CG-CG1 4.36Å; L505-L513 HydrophobicContact CD1-CD1 3.37Å; L505-S549 WeakPolarHBondContact O-CA 3.4Å; L505-S549 PolarHBondContact O-N 2.82Å; L505-Y552 HydrophobicContact CD1-CD1 4.18Å; L505-Y552 HydrophobicContact CD1-CD2 4.28Å; L505-Y552 HydrophobicContact CD1-CE1 4.48Å; L505-Y552 HydrophobicContact CD1-CG 4.07Å; L505-Y552 HydrophobicContact CD2-CD1 3.76Å; L505-Y552 HydrophobicContact CD2-CG 3.84Å; L505-Y552 HydrophobicContact CG-CD1 4.3Å; L505-Y552 HydrophobicContact CG-CG 3.99Å
506	V	96.7	Very high	97.7	Very high	42 Å²	42	10.3 Å²	10.3	26%	0.255	8%	0.076	S	C	.	.	S	Bend	trans	-97	-168.2	172.7	-67.4	0	0	0	0	109.6	E508 E509 I510 Y548	V506-E508 PolarHBondContact O-N 2.89Å; V506-E509 WeakPolarHBondContact CG2-OE2 3.47Å; V506-E509 PolarHBondContact N-OE2 3.42Å; V506-E509 PolarHBondContact O-N 3.07Å; V506-E509 VanDerWaalsContact O-N 3.16Å; V506-I510 WeakPolarHBondContact O-CB 3.1Å; V506-I510 WeakPolarHBondContact O-CG1 3.45Å; V506-I510 PolarHBondContact O-N 2.85Å; V506-Y548 HydrophobicContact CB-CE1 4.34Å; V506-Y548 HydrophobicContact CB-CE2 4.44Å; V506-Y548 WeakPolarHBondContact CB-OH 3.33Å; V506-Y548 HydrophobicContact CG1-CE1 4Å
507	Q	97.9	Very high	97.7	Very high	21 Å²	21	10.2 Å²	10.2	10%	0.098	8%	0.076	C	C	.	.	H	α-helix	trans	-49.1	-52.5	-170.4	-170.5	-93.7	2.5	0	0	114.1	V489 F491 E509 I510 R511 Y548	V489-Q507 PolarHBondContact O-NE2 2.94Å; F491-Q507 HydrophobicContact CD2-CB 3.96Å; F491-Q507 HydrophobicContact CD2-CG 3.84Å; F491-Q507 HydrophobicContact CE2-CG 4.14Å; F491-Q507 HydrophobicContact CG-CG 4.45Å; Q507-E509 PolarHBondContact O-N 3.28Å; Q507-I510 PolarHBondContact O-N 2.97Å; Q507-R511 WeakPolarHBondContact O-CB 3.48Å; Q507-R511 PolarHBondContact O-N 3.43Å; Q507-Y548 HydrophobicContact CB-CE2 4.34Å; Q507-Y548 PolarHBondContact N-OH 3.49Å
508	E	98.4	Very high	97.8	Very high	9 Å²	9	10.3 Å²	10.3	4%	0.042	8%	0.076	C	C	.	.	H	α-helix	trans	-55.3	-53.4	176.6	174.2	-177	-142.3	0	0	112.3	D490 A492 N493 G497 G498 V506 I510 R511 F512	D490-E508 WeakPolarHBondContact OD1-CA 3.42Å; D490-E508 WeakPolarHBondContact OD1-CB 3.27Å; D490-E508 WeakPolarHBondContact OD1-CG 3.25Å; A492-E508 WeakPolarHBondContact CA-OE1 3.4Å; N493-E508 PolarHBondContact N-OE1 3.05Å; N493-E508 PolarHBondContact N-OE2 2.77Å; G497-E508 VanDerWaalsContact C-CD 3.47Å; G497-E508 VanDerWaalsContact CA-OE1 3.3Å; G497-E508 WeakPolarHBondContact CA-OE1 3.42Å; G497-E508 PolarHBondContact N-OE1 2.86Å; G498-E508 WeakPolarHBondContact CA-OE2 3.14Å; G498-E508 PolarHBondContact N-OE1 2.85Å; G498-E508 PolarHBondContact N-OE2 3.32Å; G498-E508 VanDerWaalsContact N-OE2 3.08Å; V506-E508 PolarHBondContact O-N 2.89Å; E508-I510 PolarHBondContact O-N 2.81Å; E508-R511 PolarHBondContact O-N 3.46Å; E508-F512 HydrophobicContact CG-CD2 4.26Å; E508-F512 HydrophobicContact CG-CE2 4.22Å; E508-F512 VanDerWaalsContact O-CD2 3.24Å; E508-F512 WeakPolarHBondContact O-CD2 3.5Å; E508-F512 PolarHBondContact O-N 2.81Å
509	E	98.8	Very high	97.9	Very high	14 Å²	14	9.5 Å²	9.5	7%	0.065	7%	0.067	C	C	.	.	H	α-helix	trans	-68.1	-36.1	-177.3	-67.8	106.7	178	0	0	112.9	G499 V500 G504 L505 V506 Q507 R511 L513	G499-E509 VanDerWaalsContact C-CG 3.48Å; G499-E509 VanDerWaalsContact CA-OE1 3.25Å; G499-E509 WeakPolarHBondContact CA-OE1 3.48Å; G499-E509 PolarHBondContact N-OE1 3.45Å; V500-E509 HydrophobicContact CB-CB 4.25Å; V500-E509 HydrophobicContact CB-CG 4.02Å; V500-E509 HydrophobicContact CG2-CB 4.46Å; V500-E509 VanDerWaalsContact N-CG 3.3Å; G504-E509 VanDerWaalsContact CA-CD 3.43Å; G504-E509 WeakPolarHBondContact CA-OE1 3.48Å; G504-E509 WeakPolarHBondContact CA-OE2 3.36Å; L505-E509 PolarHBondContact N-OE2 2.81Å; V506-E509 WeakPolarHBondContact CG2-OE2 3.47Å; V506-E509 PolarHBondContact N-OE2 3.42Å; V506-E509 PolarHBondContact O-N 3.07Å; V506-E509 VanDerWaalsContact O-N 3.16Å; Q507-E509 PolarHBondContact O-N 3.28Å; E509-R511 VanDerWaalsContact C-N 3.32Å; E509-L513 WeakPolarHBondContact O-CD1 3.33Å; E509-L513 WeakPolarHBondContact O-CG 3.39Å; E509-L513 PolarHBondContact O-N 3.48Å
510	I	98.8	Very high	98	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.01	6%	0.058	C	C	.	.	H	α-helix	trans	-59.9	-47.7	173.8	-72.7	172.1	0	0	0	109	L505 V506 Q507 E508 F512 L513 I514 Y545 Y548 Y552	L505-I510 HydrophobicContact CD1-CG1 3.82Å; L505-I510 HydrophobicContact CG-CG1 4.36Å; V506-I510 WeakPolarHBondContact O-CB 3.1Å; V506-I510 WeakPolarHBondContact O-CG1 3.45Å; V506-I510 PolarHBondContact O-N 2.85Å; Q507-I510 PolarHBondContact O-N 2.97Å; E508-I510 PolarHBondContact O-N 2.81Å; I510-F512 PolarHBondContact O-N 3.47Å; I510-L513 WeakPolarHBondContact O-CB 3.45Å; I510-L513 PolarHBondContact O-N 3.48Å; I510-I514 WeakPolarHBondContact O-CG1 3.5Å; I510-I514 PolarHBondContact O-N 2.89Å; I510-Y545 HydrophobicContact CD1-CE2 4.3Å; I510-Y545 HydrophobicContact CG2-CD1 4.11Å; I510-Y545 HydrophobicContact CG2-CD2 4.13Å; I510-Y545 HydrophobicContact CG2-CE1 3.77Å; I510-Y545 HydrophobicContact CG2-CE2 3.81Å; I510-Y545 HydrophobicContact CG2-CG 4.28Å; I510-Y548 HydrophobicContact CD1-CD2 3.48Å; I510-Y548 VanDerWaalsContact CD1-CD2 3.48Å; I510-Y548 HydrophobicContact CD1-CE2 3.92Å; I510-Y548 HydrophobicContact CD1-CG 4.33Å; I510-Y552 HydrophobicContact CB-CE2 4.48Å; I510-Y552 HydrophobicContact CD1-CD2 3.88Å; I510-Y552 HydrophobicContact CD1-CE2 4.46Å; I510-Y552 HydrophobicContact CG1-CD2 3.74Å; I510-Y552 HydrophobicContact CG1-CE2 3.94Å; I510-Y552 HydrophobicContact CG2-CD2 4.49Å; I510-Y552 HydrophobicContact CG2-CE2 4.06Å
511	R	98.8	Very high	98	Very high	7 Å²	7	8.6 Å²	8.6	3%	0.026	6%	0.058	C	C	.	.	H	α-helix	trans	-64.2	-42.6	-178.4	-168.3	59.4	-173.3	-90.4	8.1	112.4	Q507 E508 E509 L513 I514 N515 L518 I574	Q507-R511 WeakPolarHBondContact O-CB 3.48Å; Q507-R511 PolarHBondContact O-N 3.43Å; E508-R511 PolarHBondContact O-N 3.46Å; E509-R511 VanDerWaalsContact C-N 3.32Å; R511-L513 PolarHBondContact O-N 3.29Å; R511-I514 PolarHBondContact O-N 2.77Å; R511-N515 PolarHBondContact NE-OD1 2.9Å; R511-N515 PolarHBondContact O-N 2.72Å; R511-L518 HydrophobicContact CG-CD1 4.02Å; R511-I574 HydrophobicContact CG-CD1 4.43Å
512	F	98.9	Very high	98.2	Very high	4 Å²	4	8.8 Å²	8.8	2%	0.018	6%	0.059	C	C	.	.	H	α-helix	trans	-66.5	-17.3	173.5	-82	-123	0	0	0	113.5	D490 V496 G497 V500 E508 I510 P516 L518 I519	D490-F512 WeakPolarHBondContact OD2-CE2 3.23Å; V496-F512 HydrophobicContact CB-CZ 4.48Å; G497-F512 VanDerWaalsContact CA-CZ 3.47Å; G497-F512 VanDerWaalsContact N-CZ 3.34Å; V500-F512 HydrophobicContact CB-CB 4.12Å; V500-F512 HydrophobicContact CG1-CB 4.37Å; V500-F512 HydrophobicContact CG1-CD1 4.35Å; V500-F512 HydrophobicContact CG2-CB 3.7Å; E508-F512 HydrophobicContact CG-CD2 4.26Å; E508-F512 HydrophobicContact CG-CE2 4.22Å; E508-F512 VanDerWaalsContact O-CD2 3.24Å; E508-F512 WeakPolarHBondContact O-CD2 3.5Å; E508-F512 PolarHBondContact O-N 2.81Å; I510-F512 PolarHBondContact O-N 3.47Å; F512-P516 VanDerWaalsContact O-CA 3.3Å; F512-P516 WeakPolarHBondContact O-CA 3.32Å; F512-L518 HydrophobicContact CB-CB 4.41Å; F512-L518 HydrophobicContact CD1-CB 3.59Å; F512-L518 HydrophobicContact CD2-CB 3.94Å; F512-L518 HydrophobicContact CD2-CD1 3.84Å; F512-L518 HydrophobicContact CE1-CB 3.72Å; F512-L518 WeakPolarHBondContact CE1-O 3.41Å; F512-L518 HydrophobicContact CE2-CB 4.06Å; F512-L518 HydrophobicContact CE2-CD1 4.12Å; F512-L518 HydrophobicContact CG-CB 3.7Å; F512-L518 HydrophobicContact CG-CD1 4.28Å; F512-L518 HydrophobicContact CZ-CB 3.96Å; F512-I519 HydrophobicContact CB-CG1 4.13Å; F512-I519 HydrophobicContact CD1-CG1 4.08Å; F512-I519 WeakPolarHBondContact O-CD1 3.4Å; F512-I519 WeakPolarHBondContact O-CG1 3.33Å
513	L	98.9	Very high	98.4	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-87.5	-38.3	173.5	-70.4	157.3	0	0	0	112.6	K428 T431 L432 V500 L505 E509 I510 R511 P516	K428-L513 HydrophobicContact CB-CD2 3.94Å; K428-L513 HydrophobicContact CD-CD1 4.31Å; K428-L513 HydrophobicContact CD-CD2 4.41Å; K428-L513 HydrophobicContact CG-CD1 3.66Å; K428-L513 HydrophobicContact CG-CD2 3.87Å; K428-L513 HydrophobicContact CG-CG 4.43Å; T431-L513 HydrophobicContact CG2-CB 4Å; T431-L513 WeakPolarHBondContact CG2-O 3.42Å; L432-L513 HydrophobicContact CD1-CD2 3.98Å; L432-L513 HydrophobicContact CD2-CD2 4.35Å; L432-L513 HydrophobicContact CG-CD2 3.95Å; V500-L513 HydrophobicContact CG2-CD2 4.06Å; V500-L513 HydrophobicContact CG2-CG 3.84Å; L505-L513 HydrophobicContact CD1-CD1 3.37Å; E509-L513 WeakPolarHBondContact O-CD1 3.33Å; E509-L513 WeakPolarHBondContact O-CG 3.39Å; E509-L513 PolarHBondContact O-N 3.48Å; I510-L513 WeakPolarHBondContact O-CB 3.45Å; I510-L513 PolarHBondContact O-N 3.48Å; R511-L513 PolarHBondContact O-N 3.29Å; L513-P516 WeakPolarHBondContact O-CD 3.29Å; L513-P516 WeakPolarHBondContact O-CG 3.11Å
514	I	98.9	Very high	98.5	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-80.5	-23.9	178.3	60.2	161.4	0	0	0	112.8	T431 E480 I510 R511 P516 Q541 Y542 S543 Y545	T431-I514 HydrophobicContact CG2-CG2 4.33Å; E480-I514 HydrophobicContact CB-CD1 4.47Å; E480-I514 HydrophobicContact CG-CD1 4.11Å; I510-I514 WeakPolarHBondContact O-CG1 3.5Å; I510-I514 PolarHBondContact O-N 2.89Å; R511-I514 PolarHBondContact O-N 2.77Å; I514-P516 VanDerWaalsContact C-CD 3.49Å; I514-Q541 HydrophobicContact CB-CG 4.28Å; I514-Q541 HydrophobicContact CD1-CG 4.37Å; I514-Q541 CarbonylContact O-C 3.34Å; I514-Q541 WeakPolarHBondContact O-CA 3.49Å; I514-Y542 PolarHBondContact O-N 3.31Å; I514-S543 WeakPolarHBondContact CG2-O 3.13Å; I514-Y545 HydrophobicContact CD1-CD1 4.37Å; I514-Y545 HydrophobicContact CD1-CE1 4.22Å; I514-Y545 HydrophobicContact CG2-CD1 3.94Å
515	N	98.9	Very high	98.6	Very high	1 Å²	1	5.2 Å²	5.2	1%	0.005	3%	0.027	C	C	.	.	S	Bend	trans	-118.7	71.4	168.2	-61	73.5	0	0	0	110.7	R511 E517 L518 S539 Q540 Q541	R511-N515 PolarHBondContact NE-OD1 2.9Å; R511-N515 PolarHBondContact O-N 2.72Å; N515-E517 PolarHBondContact O-N 3.19Å; N515-L518 HydrophobicContact CB-CD1 3.91Å; N515-L518 HydrophobicContact CB-CG 4.17Å; N515-L518 WeakPolarHBondContact O-CB 3.37Å; N515-L518 WeakPolarHBondContact O-CG 3.43Å; N515-L518 PolarHBondContact O-N 3.42Å; N515-S539 PolarHBondContact ND2-O 3.42Å; N515-Q540 WeakPolarHBondContact CA-O 3.4Å; N515-Q540 PolarHBondContact ND2-O 3.2Å; N515-Q540 VanDerWaalsContact ND2-O 3.16Å; N515-Q541 PolarHBondContact ND2-N 3.5Å
516	P	98.9	Very high	98.7	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	3%	0.033	C	C	.	.	G	3₁₀ helix	trans	-57.6	-20.1	-172.2	-34.1	44	0	0	0	116.8	L388 L432 Y435 F512 L513 I514 L518 I519	L388-P516 HydrophobicContact CD1-CB 4.43Å; L388-P516 VanDerWaalsContact CD1-O 3.23Å; L388-P516 WeakPolarHBondContact CD1-O 3.45Å; L432-P516 HydrophobicContact CD2-CB 4.01Å; L432-P516 HydrophobicContact CD2-CG 3.96Å; Y435-P516 HydrophobicContact CD1-CB 3.85Å; Y435-P516 HydrophobicContact CD1-CG 4.3Å; Y435-P516 HydrophobicContact CD2-CB 3.92Å; Y435-P516 HydrophobicContact CD2-CG 4.03Å; Y435-P516 HydrophobicContact CE1-CB 4.2Å; Y435-P516 HydrophobicContact CE2-CB 4.26Å; Y435-P516 HydrophobicContact CG-CB 3.7Å; Y435-P516 HydrophobicContact CG-CG 3.73Å; F512-P516 VanDerWaalsContact O-CA 3.3Å; F512-P516 WeakPolarHBondContact O-CA 3.32Å; L513-P516 WeakPolarHBondContact O-CD 3.29Å; L513-P516 WeakPolarHBondContact O-CG 3.11Å; I514-P516 VanDerWaalsContact C-CD 3.49Å; P516-L518 PolarHBondContact O-N 3.17Å; P516-L518 VanDerWaalsContact O-N 3.14Å; P516-I519 HydrophobicContact CB-CD1 4.26Å; P516-I519 VanDerWaalsContact O-CB 3.23Å; P516-I519 WeakPolarHBondContact O-CB 3.44Å; P516-I519 WeakPolarHBondContact O-CG1 3.45Å; P516-I519 PolarHBondContact O-N 3.45Å
517	E	98.9	Very high	98.8	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	3%	0.026	C	C	.	.	G	3₁₀ helix	trans	-58.4	-25.2	174.9	-60.5	179.4	141.9	0	0	112.3	Q381 V384 Y435 N515 I519 V520 S539 Q540 Y542	Q381-E517 VanDerWaalsContact CB-OE1 3.29Å; Q381-E517 WeakPolarHBondContact CB-OE1 3.46Å; Q381-E517 WeakPolarHBondContact CG-OE1 3.42Å; Q381-E517 VanDerWaalsContact NE2-CD 3.33Å; Q381-E517 PolarHBondContact NE2-OE1 3.44Å; Q381-E517 PolarHBondContact NE2-OE2 3.09Å; Q381-E517 VanDerWaalsContact NE2-OE2 3.15Å; V384-E517 HydrophobicContact CG1-CB 3.86Å; V384-E517 HydrophobicContact CG1-CG 3.9Å; Y435-E517 HydrophobicContact CE2-CG 3.98Å; N515-E517 PolarHBondContact O-N 3.19Å; E517-I519 VanDerWaalsContact C-N 3.28Å; E517-I519 PolarHBondContact O-N 2.77Å; E517-V520 VanDerWaalsContact O-CG1 3.27Å; E517-V520 WeakPolarHBondContact O-CG1 3.35Å; E517-V520 PolarHBondContact O-N 3.41Å; E517-S539 WeakPolarHBondContact OE2-CA 3.3Å; E517-Q540 PolarHBondContact OE2-N 2.96Å; E517-Y542 HydrophobicContact CG-CE2 4.28Å; E517-Y542 PolarHBondContact OE1-OH 3.38Å
518	L	98.9	Very high	98.8	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.005	2%	0.023	C	C	.	.	G	3₁₀ helix	trans	-62	-32.4	171.1	-63.9	174.4	0	0	0	112.9	R511 F512 N515 P516 V520 S521 V536 I574	R511-L518 HydrophobicContact CG-CD1 4.02Å; F512-L518 HydrophobicContact CB-CB 4.41Å; F512-L518 HydrophobicContact CD1-CB 3.59Å; F512-L518 HydrophobicContact CD2-CB 3.94Å; F512-L518 HydrophobicContact CD2-CD1 3.84Å; F512-L518 HydrophobicContact CE1-CB 3.72Å; F512-L518 WeakPolarHBondContact CE1-O 3.41Å; F512-L518 HydrophobicContact CE2-CB 4.06Å; F512-L518 HydrophobicContact CE2-CD1 4.12Å; F512-L518 HydrophobicContact CG-CB 3.7Å; F512-L518 HydrophobicContact CG-CD1 4.28Å; F512-L518 HydrophobicContact CZ-CB 3.96Å; N515-L518 HydrophobicContact CB-CD1 3.91Å; N515-L518 HydrophobicContact CB-CG 4.17Å; N515-L518 WeakPolarHBondContact O-CB 3.37Å; N515-L518 WeakPolarHBondContact O-CG 3.43Å; N515-L518 PolarHBondContact O-N 3.42Å; P516-L518 PolarHBondContact O-N 3.17Å; P516-L518 VanDerWaalsContact O-N 3.14Å; L518-V520 PolarHBondContact O-N 3.24Å; L518-S521 VanDerWaalsContact O-CB 3.31Å; L518-S521 WeakPolarHBondContact O-CB 3.3Å; L518-S521 PolarHBondContact O-N 2.83Å; L518-S521 VanDerWaalsContact O-N 3.11Å; L518-S521 PolarHBondContact O-OG 3.02Å; L518-V536 HydrophobicContact CD2-CB 3.8Å; L518-V536 HydrophobicContact CD2-CG1 3.79Å; L518-V536 HydrophobicContact CD2-CG2 3.97Å; L518-I574 HydrophobicContact CD1-CD1 3.88Å; L518-I574 HydrophobicContact CD2-CD1 4.17Å
519	I	98.9	Very high	98.8	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.005	3%	0.033	C	C	.	.	G	3₁₀ helix	trans	-60.7	-30	-177.5	-60.1	173.4	0	0	0	111.3	L388 F414 L432 V500 I501 F512 P516 E517 S521 R522	L388-I519 HydrophobicContact CD2-CB 3.82Å; L388-I519 HydrophobicContact CD2-CG2 3.78Å; F414-I519 HydrophobicContact CE1-CG2 3.98Å; F414-I519 HydrophobicContact CZ-CG2 4.15Å; L432-I519 HydrophobicContact CD2-CD1 3.72Å; V500-I519 HydrophobicContact CG1-CG1 4.2Å; V500-I519 HydrophobicContact CG2-CD1 4.19Å; V500-I519 HydrophobicContact CG2-CG1 4.34Å; I501-I519 HydrophobicContact CG2-CG2 4.35Å; F512-I519 HydrophobicContact CB-CG1 4.13Å; F512-I519 HydrophobicContact CD1-CG1 4.08Å; F512-I519 WeakPolarHBondContact O-CD1 3.4Å; F512-I519 WeakPolarHBondContact O-CG1 3.33Å; P516-I519 HydrophobicContact CB-CD1 4.26Å; P516-I519 VanDerWaalsContact O-CB 3.23Å; P516-I519 WeakPolarHBondContact O-CB 3.44Å; P516-I519 WeakPolarHBondContact O-CG1 3.45Å; P516-I519 PolarHBondContact O-N 3.45Å; E517-I519 VanDerWaalsContact C-N 3.28Å; E517-I519 PolarHBondContact O-N 2.77Å; I519-S521 PolarHBondContact O-N 2.96Å; I519-R522 VanDerWaalsContact O-CB 3.24Å; I519-R522 WeakPolarHBondContact O-CB 3.31Å; I519-R522 WeakPolarHBondContact O-CG 3.4Å; I519-R522 PolarHBondContact O-N 3.33Å
520	V	98.9	Very high	98.8	Very high	1 Å²	1	9.4 Å²	9.4	1%	0.006	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-66.7	-23.5	-179.1	86.7	0	0	0	0	112.6	M379 V384 L387 L388 F450 E517 L518 R522 L523 F524	M379-V520 HydrophobicContact SD-CG1 4.42Å; V384-V520 HydrophobicContact CG1-CB 4.03Å; V384-V520 HydrophobicContact CG1-CG1 3.93Å; V384-V520 HydrophobicContact CG2-CG1 4.19Å; L387-V520 HydrophobicContact CB-CG2 3.65Å; L387-V520 HydrophobicContact CD1-CG2 3.74Å; L387-V520 HydrophobicContact CG-CG2 4.36Å; L388-V520 HydrophobicContact CD2-CB 4.17Å; L388-V520 HydrophobicContact CG-CB 4.38Å; F450-V520 HydrophobicContact CE1-CG1 3.85Å; F450-V520 HydrophobicContact CE2-CG1 3.89Å; F450-V520 HydrophobicContact CZ-CG1 3.31Å; E517-V520 VanDerWaalsContact O-CG1 3.27Å; E517-V520 WeakPolarHBondContact O-CG1 3.35Å; E517-V520 PolarHBondContact O-N 3.41Å; L518-V520 PolarHBondContact O-N 3.24Å; V520-R522 PolarHBondContact O-N 2.62Å; V520-R522 VanDerWaalsContact O-N 3.1Å; V520-L523 HydrophobicContact CG2-CD2 4.41Å; V520-L523 WeakPolarHBondContact O-CB 3.07Å; V520-L523 PolarHBondContact O-N 3.02Å; V520-F524 HydrophobicContact CG1-CE1 4.03Å; V520-F524 HydrophobicContact CG1-CZ 4.13Å; V520-F524 HydrophobicContact CG2-CE1 4.35Å; V520-F524 WeakPolarHBondContact O-CE1 3.39Å
521	S	98.9	Very high	98.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-54.1	-32.5	174.6	64.2	0	0	0	0	112.4	L518 I519 L523 F524 T525	L518-S521 VanDerWaalsContact O-CB 3.31Å; L518-S521 WeakPolarHBondContact O-CB 3.3Å; L518-S521 PolarHBondContact O-N 2.83Å; L518-S521 VanDerWaalsContact O-N 3.11Å; L518-S521 PolarHBondContact O-OG 3.02Å; I519-S521 PolarHBondContact O-N 2.96Å; S521-L523 PolarHBondContact O-N 3.5Å; S521-F524 PolarHBondContact O-N 2.83Å; S521-T525 WeakPolarHBondContact O-CB 3.33Å; S521-T525 PolarHBondContact O-N 2.88Å; S521-T525 PolarHBondContact O-OG1 2.88Å
522	R	98.8	Very high	98.7	Very high	5 Å²	5	11.2 Å²	11.2	2%	0.019	6%	0.06	C	C	.	.	H	α-helix	trans	-63	-20.7	176.9	-61.9	173	65.8	93.4	-9.2	113.3	R399 P410 D411 I412 V496 G497 G498 I519 V520	R399-R522 PolarHBondContact NH2-O 2.78Å; P410-R522 HydrophobicContact CB-CB 3.95Å; P410-R522 HydrophobicContact CB-CG 3.95Å; P410-R522 HydrophobicContact CG-CB 4.23Å; P410-R522 HydrophobicContact CG-CG 4.19Å; D411-R522 VanDerWaalsContact O-CZ 3.24Å; D411-R522 PolarHBondContact O-NE 3.17Å; D411-R522 PolarHBondContact O-NH2 2.87Å; I412-R522 HydrophobicContact CD1-CB 4.09Å; V496-R522 HydrophobicContact CG2-CG 4.48Å; V496-R522 WeakPolarHBondContact O-CG 3.2Å; V496-R522 PolarHBondContact O-NH1 2.92Å; G497-R522 PolarHBondContact O-NH1 2.98Å; G497-R522 VanDerWaalsContact O-NH1 3.15Å; G498-R522 PolarHBondContact O-NH1 2.95Å; G498-R522 PolarHBondContact O-NH2 3.48Å; I519-R522 VanDerWaalsContact O-CB 3.24Å; I519-R522 WeakPolarHBondContact O-CB 3.31Å; I519-R522 WeakPolarHBondContact O-CG 3.4Å; I519-R522 PolarHBondContact O-N 3.33Å; V520-R522 PolarHBondContact O-N 2.62Å; V520-R522 VanDerWaalsContact O-N 3.1Å
523	L	98.8	Very high	98.7	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-70.2	-38.5	176.5	-176.5	60.9	0	0	0	111.5	V270 I366 L387 F396 R399 I412 V520 S521	V270-L523 HydrophobicContact CG1-CD1 3.74Å; V270-L523 HydrophobicContact CG1-CD2 3.99Å; V270-L523 HydrophobicContact CG1-CG 3.79Å; V270-L523 HydrophobicContact CG2-CD2 4.46Å; V270-L523 HydrophobicContact CG2-CG 4Å; I366-L523 HydrophobicContact CD1-CD2 4.5Å; L387-L523 HydrophobicContact CB-CD2 4.38Å; L387-L523 HydrophobicContact CD1-CD2 4.18Å; L387-L523 HydrophobicContact CD2-CD2 3.88Å; L387-L523 HydrophobicContact CG-CD2 4.37Å; F396-L523 HydrophobicContact CD1-CD1 3.56Å; F396-L523 HydrophobicContact CD2-CD1 4.12Å; F396-L523 HydrophobicContact CE1-CD1 3.5Å; F396-L523 VanDerWaalsContact CE1-CD1 3.5Å; F396-L523 HydrophobicContact CE1-CD2 3.76Å; F396-L523 HydrophobicContact CE1-CG 4.29Å; F396-L523 HydrophobicContact CE2-CD1 4.05Å; F396-L523 HydrophobicContact CE2-CD2 4.42Å; F396-L523 HydrophobicContact CG-CD1 3.89Å; F396-L523 HydrophobicContact CZ-CD1 3.76Å; F396-L523 HydrophobicContact CZ-CD2 3.63Å; F396-L523 HydrophobicContact CZ-CG 4.36Å; R399-L523 PolarHBondContact NH1-O 3.37Å; I412-L523 HydrophobicContact CD1-CB 4.22Å; I412-L523 HydrophobicContact CG1-CB 4.18Å; I412-L523 HydrophobicContact CG1-CD1 4.12Å; I412-L523 HydrophobicContact CG2-CD1 4.25Å; V520-L523 HydrophobicContact CG2-CD2 4.41Å; V520-L523 WeakPolarHBondContact O-CB 3.07Å; V520-L523 PolarHBondContact O-N 3.02Å; S521-L523 PolarHBondContact O-N 3.5Å
524	F	98.8	Very high	98.7	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-126.5	-7	-169.6	48.7	-104.9	0	0	0	115.6	V270 I366 L368 L369 I377 M379 Y409 F450 V520 S521	V270-F524 HydrophobicContact CG2-CB 3.87Å; I366-F524 HydrophobicContact CG2-CB 4.12Å; I366-F524 HydrophobicContact CG2-CD1 3.74Å; I366-F524 HydrophobicContact CG2-CE1 4.46Å; I366-F524 HydrophobicContact CG2-CG 4.11Å; L368-F524 CarbonylContact C-O 3.57Å; L368-F524 WeakPolarHBondContact CA-O 3.3Å; L368-F524 HydrophobicContact CD2-CB 4.23Å; L369-F524 HydrophobicContact CD1-CD2 3.85Å; L369-F524 HydrophobicContact CD1-CE2 4Å; L369-F524 HydrophobicContact CG-CD2 4.11Å; L369-F524 PolarHBondContact N-O 3.39Å; I377-F524 HydrophobicContact CD1-CD2 3.86Å; I377-F524 HydrophobicContact CD1-CE2 4.15Å; I377-F524 HydrophobicContact CD1-CG 4.14Å; M379-F524 HydrophobicContact CE-CE1 4.1Å; Y409-F524 WeakPolarHBondContact CE1-O 3.37Å; F450-F524 HydrophobicContact CB-CE2 3.79Å; F450-F524 HydrophobicContact CB-CZ 4.1Å; F450-F524 HydrophobicContact CD1-CE2 4.16Å; F450-F524 AromaticContact CD1-CZ 3.95Å; F450-F524 HydrophobicContact CD1-CZ 3.95Å; F450-F524 HydrophobicContact CD2-CE2 4.29Å; F450-F524 AromaticContact CD2-CZ 3.71Å; F450-F524 HydrophobicContact CD2-CZ 3.71Å; F450-F524 HydrophobicContact CE1-CZ 4.32Å; F450-F524 HydrophobicContact CE2-CZ 4.1Å; F450-F524 AromaticContact CG-CE2 3.83Å; F450-F524 HydrophobicContact CG-CE2 3.83Å; F450-F524 AromaticContact CG-CZ 3.64Å; F450-F524 HydrophobicContact CG-CZ 3.64Å; F450-F524 HydrophobicContact CZ-CZ 4.4Å; V520-F524 HydrophobicContact CG1-CE1 4.03Å; V520-F524 HydrophobicContact CG1-CZ 4.13Å; V520-F524 HydrophobicContact CG2-CE1 4.35Å; V520-F524 WeakPolarHBondContact O-CE1 3.39Å; S521-F524 PolarHBondContact O-N 2.83Å
525	T	98.8	Very high	98.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-94.1	117.2	179.3	-48.8	0	0	0	0	110.9	Y409 P410 V496 S521 L534	Y409-T525 VanDerWaalsContact CD1-C 3.48Å; Y409-T525 VanDerWaalsContact CD1-O 3.27Å; Y409-T525 WeakPolarHBondContact CD1-O 3.5Å; P410-T525 VanDerWaalsContact CD-O 3.26Å; P410-T525 WeakPolarHBondContact CD-O 3.44Å; V496-T525 HydrophobicContact CG2-CG2 4.19Å; S521-T525 WeakPolarHBondContact O-CB 3.33Å; S521-T525 PolarHBondContact O-N 2.88Å; S521-T525 PolarHBondContact O-OG1 2.88Å; T525-L534 HydrophobicContact CG2-CD1 4.21Å; T525-L534 HydrophobicContact CG2-CD2 4.28Å
526	E	98.5	Very high	98.7	Very high	28 Å²	28	11.7 Å²	11.7	13%	0.131	6%	0.063	C	C	.	.	P	Polyproline II helix	trans	-67.7	156.9	169.9	-164.1	-177.4	160.3	0	0	110.1	L369 K370 R371 N408 Y409 R452 L528	L369-E526 PolarHBondContact O-N 3.05Å; L369-E526 VanDerWaalsContact O-N 3.07Å; K370-E526 VanDerWaalsContact CA-OE2 3.3Å; K370-E526 WeakPolarHBondContact CA-OE2 3.27Å; K370-E526 WeakPolarHBondContact CB-OE2 3.38Å; R371-E526 PolarHBondContact N-OE2 2.89Å; N408-E526 HydrophobicContact CB-CG 3.88Å; N408-E526 PolarHBondContact ND2-OE1 3.41Å; Y409-E526 HydrophobicContact CD1-CB 4.46Å; Y409-E526 HydrophobicContact CD2-CG 4.49Å; Y409-E526 HydrophobicContact CE1-CB 3.87Å; Y409-E526 VanDerWaalsContact CE1-N 3.25Å; Y409-E526 HydrophobicContact CE2-CB 4.19Å; Y409-E526 HydrophobicContact CE2-CG 4.04Å; R452-E526 PolarHBondContact NH1-O 2.79Å; R452-E526 PolarHBondContact NH2-O 3.3Å; E526-L528 PolarHBondContact O-N 2.87Å
527	A	98.4	Very high	98.7	Very high	14 Å²	14	12.3 Å²	12.3	12%	0.116	7%	0.067	C	C	.	.	P	Polyproline II helix	trans	-47	135.5	172.2	0	0	0	0	0	112.3	N408 R452 K494 F495	N408-A527 WeakPolarHBondContact O-CB 3.38Å; N408-A527 PolarHBondContact O-N 3.48Å; R452-A527 PolarHBondContact NH2-O 2.77Å; K494-A527 CarbonylContact O-C 3.58Å; K494-A527 VanDerWaalsContact O-CA 3.27Å; K494-A527 WeakPolarHBondContact O-CA 3.41Å; F495-A527 HydrophobicContact CD1-CB 3.95Å; F495-A527 HydrophobicContact CE1-CB 3.79Å; F495-A527 HydrophobicContact CE2-CB 4.41Å; F495-A527 HydrophobicContact CG-CB 4.35Å; F495-A527 HydrophobicContact CZ-CB 4.03Å
528	L	98.7	Very high	98.7	Very high	7 Å²	7	12.3 Å²	12.3	4%	0.037	7%	0.067	C	C	.	.	P	Polyproline II helix	trans	-69.6	137.6	178.1	-59.5	176.2	0	0	0	110.9	K494 V496 E526 E532 L534	K494-L528 HydrophobicContact CB-CB 4.35Å; K494-L528 PolarHBondContact O-N 2.98Å; V496-L528 HydrophobicContact CG1-CD1 3.95Å; V496-L528 HydrophobicContact CG1-CG 4.22Å; E526-L528 PolarHBondContact O-N 2.87Å; L528-E532 HydrophobicContact CD2-CB 4.26Å; L528-L534 HydrophobicContact CD2-CB 4.49Å
529	D	98.3	Very high	98.7	Very high	46 Å²	46	12.2 Å²	12.2	25%	0.246	7%	0.067	C	C	.	.	P	Polyproline II helix	trans	-87.4	170.6	168.1	-157.5	12.1	0	0	0	111.4	R371 N531 E532 K600	R371-D529 HydrophobicContact CG-CB 4.15Å; R371-D529 IonicContact CZ-OD1 3.25Å; R371-D529 IonicContact CZ-OD2 2.95Å; R371-D529 IonicContact NE-OD1 3.66Å; R371-D529 IonicContact NE-OD2 3.85Å; R371-D529 PolarHBondContact NE-OD2 3.07Å; R371-D529 IonicContact NH2-OD1 2.78Å; R371-D529 PolarHBondContact NH2-OD1 3.19Å; R371-D529 IonicContact NH2-OD2 2.66Å; R371-D529 PolarHBondContact NH2-OD2 3.37Å; D529-N531 PolarHBondContact O-N 2.94Å; D529-N531 VanDerWaalsContact O-N 3.09Å; D529-E532 HydrophobicContact CB-CG 4.13Å; D529-E532 WeakPolarHBondContact CB-OE2 3.38Å; D529-E532 PolarHBondContact N-OE2 2.67Å; D529-E532 PolarHBondContact O-N 3.32Å; D529-E532 VanDerWaalsContact O-N 3.11Å; D529-K600 PolarHBondContact O-NZ 3Å
530	D	98.2	Very high	98.6	Very high	80 Å²	80	13.5 Å²	13.5	43%	0.428	7%	0.073	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-22.3	-174.3	-76.4	-24.4	0	0	0	114.3	R596 K600	D530-R596 HydrophobicContact CB-CG 4.17Å; D530-R596 IonicContact OD1-CZ 3.11Å; D530-R596 IonicContact OD1-NE 3.78Å; D530-R596 PolarHBondContact OD1-NE 2.92Å; D530-R596 IonicContact OD1-NH2 2.77Å; D530-R596 PolarHBondContact OD1-NH2 3.06Å; D530-K600 VanDerWaalsContact O-CE 3.22Å; D530-K600 WeakPolarHBondContact O-CE 3.31Å
531	N	97.9	Very high	98.6	Very high	46 Å²	46	14.2 Å²	14.2	25%	0.246	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	21.4	178.2	74	-40.1	0	0	0	114.2	R454 L455 D529 C603	R454-N531 WeakPolarHBondContact CA-O 3.21Å; R454-N531 WeakPolarHBondContact CG-ND2 3.47Å; L455-N531 HydrophobicContact CB-CB 4.34Å; L455-N531 PolarHBondContact N-O 3.4Å; L455-N531 PolarHBondContact O-ND2 2.97Å; D529-N531 PolarHBondContact O-N 2.94Å; D529-N531 VanDerWaalsContact O-N 3.09Å; N531-C603 PolarHBondContact O-SG 2.79Å
532	E	98.6	Very high	98.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	154.2	-177.3	-61.7	178.7	119.3	0	0	113.4	G372 R452 Q453 R454 L528 D529 K600	G372-E532 PolarHBondContact N-OE1 2.96Å; R452-E532 IonicContact CZ-OE1 3.81Å; R452-E532 IonicContact CZ-OE2 2.7Å; R452-E532 IonicContact NE-OE1 2.8Å; R452-E532 PolarHBondContact NE-OE1 3.34Å; R452-E532 IonicContact NE-OE2 3.78Å; R452-E532 VanDerWaalsContact NH2-CD 3.3Å; R452-E532 IonicContact NH2-OE1 2.92Å; R452-E532 PolarHBondContact NH2-OE1 3.49Å; R452-E532 IonicContact NH2-OE2 3.35Å; R452-E532 PolarHBondContact NH2-OE2 2.86Å; Q453-E532 CarbonylContact O-C 3.27Å; Q453-E532 VanDerWaalsContact O-CA 3.3Å; Q453-E532 WeakPolarHBondContact O-CA 3.44Å; R454-E532 HydrophobicContact CB-CG 4.22Å; R454-E532 HydrophobicContact CG-CG 4.26Å; L528-E532 HydrophobicContact CD2-CB 4.26Å; D529-E532 HydrophobicContact CB-CG 4.13Å; D529-E532 WeakPolarHBondContact CB-OE2 3.38Å; D529-E532 PolarHBondContact N-OE2 2.67Å; D529-E532 PolarHBondContact O-N 3.32Å; D529-E532 VanDerWaalsContact O-N 3.11Å; E532-K600 PolarHBondContact O-NZ 3.3Å
533	C	98.8	Very high	98.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	167.1	169	70	0	0	0	0	110.9	Q453 V575 I577 C603	Q453-C533 PolarHBondContact N-O 2.63Å; Q453-C533 PolarHBondContact O-N 3.15Å; C533-V575 HydrophobicContact CB-CG2 4.09Å; C533-I577 HydrophobicContact CB-CG2 3.78Å; C533-C603 PolarHBondContact SG-O 3.44Å
534	L	98.9	Very high	98.6	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	120.2	167.5	178.6	76.8	0	0	0	108.9	L369 F450 V496 T525 L528 V536 V575 A576	L369-L534 HydrophobicContact CD1-CD1 4.12Å; F450-L534 HydrophobicContact CB-CD1 4.49Å; V496-L534 HydrophobicContact CB-CD2 4.46Å; V496-L534 HydrophobicContact CG1-CB 4.39Å; V496-L534 HydrophobicContact CG1-CD2 4.19Å; V496-L534 HydrophobicContact CG2-CD2 4.27Å; T525-L534 HydrophobicContact CG2-CD1 4.21Å; T525-L534 HydrophobicContact CG2-CD2 4.28Å; L528-L534 HydrophobicContact CD2-CB 4.49Å; L534-V536 HydrophobicContact CD2-CG2 4.01Å; L534-V536 HydrophobicContact CG-CG2 4.1Å; L534-V575 WeakPolarHBondContact O-CA 3.41Å; L534-A576 HydrophobicContact CB-CB 4.28Å; L534-A576 PolarHBondContact N-O 3.48Å; L534-A576 PolarHBondContact O-N 2.83Å
535	I	98.8	Very high	98.6	Very high	9 Å²	9	21.9 Å²	21.9	5%	0.046	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	132.7	172.6	-57.5	168.5	0	0	0	108	S451 Q453 E573 I574 V575	S451-I535 PolarHBondContact N-O 3.22Å; S451-I535 PolarHBondContact O-N 3.47Å; Q453-I535 HydrophobicContact CB-CD1 4.45Å; I535-E573 HydrophobicContact CG2-CG 3.88Å; I535-I574 CarbonylContact C-O 3.57Å; I535-I574 WeakPolarHBondContact CA-O 3.41Å; I535-V575 HydrophobicContact CG1-CB 4.24Å; I535-V575 HydrophobicContact CG1-CG2 3.82Å
536	V	98.9	Very high	98.6	Very high	5 Å²	5	25.9 Å²	25.9	3%	0.03	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.9	174.3	-169.2	0	0	0	0	109.7	V448 T449 F450 L518 L534 I574	V448-V536 HydrophobicContact CG1-CG1 3.6Å; T449-V536 CarbonylContact O-C 3.55Å; T449-V536 VanDerWaalsContact O-CA 3.29Å; T449-V536 WeakPolarHBondContact O-CA 3.35Å; F450-V536 HydrophobicContact CD1-CB 4.34Å; F450-V536 HydrophobicContact CD1-CG1 3.72Å; F450-V536 HydrophobicContact CD1-CG2 3.68Å; F450-V536 HydrophobicContact CE1-CG1 3.63Å; F450-V536 HydrophobicContact CE1-CG2 4.13Å; F450-V536 HydrophobicContact CG-CG1 4.4Å; F450-V536 HydrophobicContact CZ-CG1 4.25Å; L518-V536 HydrophobicContact CD2-CB 3.8Å; L518-V536 HydrophobicContact CD2-CG1 3.79Å; L518-V536 HydrophobicContact CD2-CG2 3.97Å; L534-V536 HydrophobicContact CD2-CG2 4.01Å; L534-V536 HydrophobicContact CG-CG2 4.1Å; V536-I574 PolarHBondContact N-O 3.37Å; V536-I574 PolarHBondContact O-N 2.93Å
537	T	98.9	Very high	98.5	Very high	13 Å²	13	26.4 Å²	26.4	8%	0.08	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	127.1	177.5	-37.9	0	0	0	0	110	V448 T449 T572 E573	V448-T537 WeakPolarHBondContact CA-O 3.12Å; T449-T537 PolarHBondContact N-O 2.9Å; T449-T537 PolarHBondContact O-N 3.14Å; T537-T572 WeakPolarHBondContact CA-O 3.23Å; T537-E573 HydrophobicContact CG2-CB 4.45Å
538	G	98.6	Very high	98.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.161	C	C	.	.			trans	108.1	-3.3	169.3	0	0	0	0	0	117.3	Q540 R570 T572	G538-Q540 PolarHBondContact O-N 3.39Å; G538-R570 WeakPolarHBondContact CA-O 3.23Å; G538-T572 PolarHBondContact N-O 3.01Å
539	S	98.5	Very high	98.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-62.7	125.9	179	61.9	0	0	0	0	111.5	N515 E517	N515-S539 PolarHBondContact ND2-O 3.42Å; E517-S539 WeakPolarHBondContact OE2-CA 3.3Å
540	Q	98.6	Very high	98.2	Very high	28 Å²	28	37.3 Å²	37.3	13%	0.131	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-83.6	145.6	179.4	169.1	164.4	-42.5	0	0	112.1	N515 E517 G538 Y542 D560 R570	N515-Q540 WeakPolarHBondContact CA-O 3.4Å; N515-Q540 PolarHBondContact ND2-O 3.2Å; N515-Q540 VanDerWaalsContact ND2-O 3.16Å; E517-Q540 PolarHBondContact OE2-N 2.96Å; G538-Q540 PolarHBondContact O-N 3.39Å; Q540-Y542 HydrophobicContact CB-CD2 4.33Å; Q540-Y542 HydrophobicContact CB-CE2 3.62Å; Q540-Y542 HydrophobicContact CG-CD2 4.05Å; Q540-Y542 HydrophobicContact CG-CE1 4.38Å; Q540-Y542 HydrophobicContact CG-CE2 3.61Å; Q540-Y542 WeakPolarHBondContact O-CD2 3.14Å; Q540-Y542 WeakPolarHBondContact O-CE2 3.41Å; Q540-D560 WeakPolarHBondContact CA-OD2 3.38Å; Q540-D560 HydrophobicContact CG-CB 3.73Å; Q540-D560 WeakPolarHBondContact CG-OD2 3.21Å; Q540-R570 HydrophobicContact CB-CG 4.26Å
541	Q	98.7	Very high	98.1	Very high	16 Å²	16	37.8 Å²	37.8	8%	0.075	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-86.4	130.7	170	-172.2	175.1	-12.3	0	0	110.7	I514 N515 S543 H558 D560	I514-Q541 HydrophobicContact CB-CG 4.28Å; I514-Q541 HydrophobicContact CD1-CG 4.37Å; I514-Q541 CarbonylContact O-C 3.34Å; I514-Q541 WeakPolarHBondContact O-CA 3.49Å; N515-Q541 PolarHBondContact ND2-N 3.5Å; Q541-S543 PolarHBondContact NE2-O 3.21Å; Q541-H558 HydrophobicContact CG-CB 4.12Å; Q541-H558 PolarHBondContact NE2-ND1 2.82Å; Q541-D560 PolarHBondContact N-OD2 3.21Å
542	Y	98.8	Very high	98.2	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.016	19%	0.186	C	C	.	.			trans	-116.1	-15.2	-176.1	-71.7	-93.6	0	0	0	113.8	Q381 C434 Y435 V439 I514 E517 Q540 H558	Q381-Y542 PolarHBondContact NE2-OH 2.86Å; C434-Y542 PolarHBondContact SG-O 3.39Å; C434-Y542 VanDerWaalsContact SG-O 3.38Å; Y435-Y542 AromaticContact CD2-CD1 3.88Å; Y435-Y542 HydrophobicContact CD2-CD1 3.88Å; Y435-Y542 AromaticContact CD2-CD2 3.57Å; Y435-Y542 HydrophobicContact CD2-CD2 3.57Å; Y435-Y542 AromaticContact CD2-CE1 3.93Å; Y435-Y542 HydrophobicContact CD2-CE1 3.93Å; Y435-Y542 AromaticContact CD2-CE2 3.62Å; Y435-Y542 HydrophobicContact CD2-CE2 3.62Å; Y435-Y542 AromaticContact CD2-CG 3.7Å; Y435-Y542 HydrophobicContact CD2-CG 3.7Å; Y435-Y542 AromaticContact CD2-CZ 3.8Å; Y435-Y542 HydrophobicContact CE2-CD2 4.1Å; Y435-Y542 HydrophobicContact CE2-CE1 4.24Å; Y435-Y542 AromaticContact CE2-CE2 3.67Å; Y435-Y542 HydrophobicContact CE2-CE2 3.67Å; Y435-Y542 AromaticContact CE2-CZ 3.74Å; V439-Y542 HydrophobicContact CG1-CE1 3.78Å; I514-Y542 PolarHBondContact O-N 3.31Å; E517-Y542 HydrophobicContact CG-CE2 4.28Å; E517-Y542 PolarHBondContact OE1-OH 3.38Å; Q540-Y542 HydrophobicContact CB-CD2 4.33Å; Q540-Y542 HydrophobicContact CB-CE2 3.62Å; Q540-Y542 HydrophobicContact CG-CD2 4.05Å; Q540-Y542 HydrophobicContact CG-CE1 4.38Å; Q540-Y542 HydrophobicContact CG-CE2 3.61Å; Q540-Y542 WeakPolarHBondContact O-CD2 3.14Å; Q540-Y542 WeakPolarHBondContact O-CE2 3.41Å; Y542-H558 PolarHBondContact O-N 2.71Å
543	S	98.8	Very high	98.2	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	150.1	-176.6	-75.3	0	0	0	0	112.9	T431 C434 I514 Q541 W554 G556	T431-S543 VanDerWaalsContact CG2-CB 3.48Å; C434-S543 WeakPolarHBondContact CB-OG 3.1Å; C434-S543 PolarHBondContact SG-OG 3.08Å; C434-S543 VanDerWaalsContact SG-OG 3.4Å; I514-S543 WeakPolarHBondContact CG2-O 3.13Å; Q541-S543 PolarHBondContact NE2-O 3.21Å; S543-W554 PolarHBondContact OG-NE1 2.92Å; S543-G556 WeakPolarHBondContact CA-O 3.28Å
544	K	98.5	Very high	98.1	Very high	109 Å²	109	44.1 Å²	44.1	47%	0.474	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	156.4	165.6	-58.5	-173.8	-178.3	-173.1	0	108.9	A555 G556 H558	K544-A555 HydrophobicContact CB-CB 4.19Å; K544-A555 PolarHBondContact O-N 3.49Å; K544-G556 PolarHBondContact N-O 3.27Å; K544-H558 HydrophobicContact CG-CB 3.99Å
545	Y	98.6	Very high	98.1	Very high	54 Å²	54	46.6 Å²	46.6	21%	0.212	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	167.8	177	78.3	-79.2	0	0	0	111.3	E480 I510 I514 G547 Y552 R553	E480-Y545 WeakPolarHBondContact OE1-CE1 3.18Å; E480-Y545 PolarHBondContact OE1-OH 3.41Å; I510-Y545 HydrophobicContact CD1-CE2 4.3Å; I510-Y545 HydrophobicContact CG2-CD1 4.11Å; I510-Y545 HydrophobicContact CG2-CD2 4.13Å; I510-Y545 HydrophobicContact CG2-CE1 3.77Å; I510-Y545 HydrophobicContact CG2-CE2 3.81Å; I510-Y545 HydrophobicContact CG2-CG 4.28Å; I514-Y545 HydrophobicContact CD1-CD1 4.37Å; I514-Y545 HydrophobicContact CD1-CE1 4.22Å; I514-Y545 HydrophobicContact CG2-CD1 3.94Å; Y545-G547 WeakPolarHBondContact CD2-O 3.19Å; Y545-G547 VanDerWaalsContact CE2-O 3.28Å; Y545-G547 WeakPolarHBondContact CE2-O 3.47Å; Y545-Y552 VanDerWaalsContact CB-CE2 3.41Å; Y545-Y552 AromaticContact CD2-CD2 3.61Å; Y545-Y552 HydrophobicContact CD2-CD2 3.61Å; Y545-Y552 AromaticContact CD2-CE2 3.56Å; Y545-Y552 HydrophobicContact CD2-CE2 3.56Å; Y545-Y552 HydrophobicContact CE2-CD2 4.4Å; Y545-Y552 HydrophobicContact CE2-CE2 4.5Å; Y545-Y552 HydrophobicContact CG-CD2 4.15Å; Y545-Y552 AromaticContact CG-CE2 3.6Å; Y545-Y552 HydrophobicContact CG-CE2 3.6Å; Y545-R553 CarbonylContact C-O 3.6Å; Y545-R553 VanDerWaalsContact CA-O 3.23Å; Y545-R553 WeakPolarHBondContact CA-O 3.32Å; Y545-R553 WeakPolarHBondContact CB-O 3.44Å
546	T	98.3	Very high	98.1	Very high	84 Å²	84	47 Å²	47	52%	0.515	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	158	165.7	58.5	0	0	0	0	110	Y552 R553 A555	T546-Y552 CarbonylContact O-C 3.58Å; T546-Y552 VanDerWaalsContact O-CA 3.27Å; T546-Y552 WeakPolarHBondContact O-CA 3.47Å; T546-R553 PolarHBondContact N-O 3.41Å; T546-R553 PolarHBondContact O-N 2.77Å; T546-A555 HydrophobicContact CG2-CB 4.17Å
547	G	97.4	Very high	98	Very high	38 Å²	38	50.9 Å²	50.9	39%	0.392	27%	0.271	S	S	.	.	S	Bend	trans	69.9	-176	179.3	0	0	0	0	0	114.3	Y545	Y545-G547 WeakPolarHBondContact CD2-O 3.19Å; Y545-G547 VanDerWaalsContact CE2-O 3.28Å; Y545-G547 WeakPolarHBondContact CE2-O 3.47Å
548	Y	96.7	Very high	97.9	Very high	115 Å²	115	52.3 Å²	52.3	45%	0.451	28%	0.277	S	S	.	.			trans	-149.1	143.6	-170.9	-171.4	-103.3	0	0	0	110.9	V506 Q507 I510 Q550 T551	V506-Y548 HydrophobicContact CB-CE1 4.34Å; V506-Y548 HydrophobicContact CB-CE2 4.44Å; V506-Y548 WeakPolarHBondContact CB-OH 3.33Å; V506-Y548 HydrophobicContact CG1-CE1 4Å; Q507-Y548 HydrophobicContact CB-CE2 4.34Å; Q507-Y548 PolarHBondContact N-OH 3.49Å; I510-Y548 HydrophobicContact CD1-CD2 3.48Å; I510-Y548 VanDerWaalsContact CD1-CD2 3.48Å; I510-Y548 HydrophobicContact CD1-CE2 3.92Å; I510-Y548 HydrophobicContact CD1-CG 4.33Å; Y548-Q550 PolarHBondContact O-N 3.2Å; Y548-T551 PolarHBondContact N-OG1 3Å; Y548-T551 PolarHBondContact O-N 2.97Å; Y548-T551 PolarHBondContact O-OG1 3.31Å
549	S	95.4	Very high	97.8	Very high	32 Å²	32	59.9 Å²	59.9	22%	0.224	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.3	-98.2	179.1	-175.4	0	0	0	0	114.2	R424 L505	R424-S549 WeakPolarHBondContact CD-O 2.97Å; L505-S549 WeakPolarHBondContact O-CA 3.4Å; L505-S549 PolarHBondContact O-N 2.82Å
550	Q	95.6	Very high	97.7	Very high	150 Å²	150	60.1 Å²	60.1	70%	0.701	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-27.7	179.3	-59.1	-174.4	11.5	0	0	112.8	Y548 R553	Y548-Q550 PolarHBondContact O-N 3.2Å; Q550-R553 PolarHBondContact O-NH1 3.24Å; Q550-R553 VanDerWaalsContact O-NH1 3.16Å
551	T	97.6	Very high	97.6	Very high	89 Å²	89	64.1 Å²	64.1	55%	0.546	34%	0.339	S	S	.	.	S	Bend	trans	-91.7	-4.7	180	60.5	0	0	0	0	113.3	Y548 R553	Y548-T551 PolarHBondContact N-OG1 3Å; Y548-T551 PolarHBondContact O-N 2.97Å; Y548-T551 PolarHBondContact O-OG1 3.31Å; T551-R553 PolarHBondContact O-N 3.28Å
552	Y	98.6	Very high	97.5	Very high	1 Å²	1	64 Å²	64	0%	0.004	34%	0.34	C	S	.	.			trans	-52.2	130.1	176	177.2	-88.3	0	0	0	111.4	E427 T431 L505 I510 Y545 T546	E427-Y552 HydrophobicContact CB-CD1 3.72Å; E427-Y552 HydrophobicContact CB-CE1 3.88Å; T431-Y552 PolarHBondContact OG1-OH 2.78Å; L505-Y552 HydrophobicContact CD1-CD1 4.18Å; L505-Y552 HydrophobicContact CD1-CD2 4.28Å; L505-Y552 HydrophobicContact CD1-CE1 4.48Å; L505-Y552 HydrophobicContact CD1-CG 4.07Å; L505-Y552 HydrophobicContact CD2-CD1 3.76Å; L505-Y552 HydrophobicContact CD2-CG 3.84Å; L505-Y552 HydrophobicContact CG-CD1 4.3Å; L505-Y552 HydrophobicContact CG-CG 3.99Å; I510-Y552 HydrophobicContact CB-CE2 4.48Å; I510-Y552 HydrophobicContact CD1-CD2 3.88Å; I510-Y552 HydrophobicContact CD1-CE2 4.46Å; I510-Y552 HydrophobicContact CG1-CD2 3.74Å; I510-Y552 HydrophobicContact CG1-CE2 3.94Å; I510-Y552 HydrophobicContact CG2-CD2 4.49Å; I510-Y552 HydrophobicContact CG2-CE2 4.06Å; Y545-Y552 VanDerWaalsContact CB-CE2 3.41Å; Y545-Y552 AromaticContact CD2-CD2 3.61Å; Y545-Y552 HydrophobicContact CD2-CD2 3.61Å; Y545-Y552 AromaticContact CD2-CE2 3.56Å; Y545-Y552 HydrophobicContact CD2-CE2 3.56Å; Y545-Y552 HydrophobicContact CE2-CD2 4.4Å; Y545-Y552 HydrophobicContact CE2-CE2 4.5Å; Y545-Y552 HydrophobicContact CG-CD2 4.15Å; Y545-Y552 AromaticContact CG-CE2 3.6Å; Y545-Y552 HydrophobicContact CG-CE2 3.6Å; T546-Y552 CarbonylContact O-C 3.58Å; T546-Y552 VanDerWaalsContact O-CA 3.27Å; T546-Y552 WeakPolarHBondContact O-CA 3.47Å
553	R	98.5	Very high	97.4	Very high	103 Å²	103	66.2 Å²	66.2	39%	0.389	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	141.1	171.5	-62.8	-61.8	178.7	-88.4	-3.2	109.8	E427 Y545 T546 Q550 T551	E427-R553 WeakPolarHBondContact OE2-CA 3.45Å; Y545-R553 CarbonylContact C-O 3.6Å; Y545-R553 VanDerWaalsContact CA-O 3.23Å; Y545-R553 WeakPolarHBondContact CA-O 3.32Å; Y545-R553 WeakPolarHBondContact CB-O 3.44Å; T546-R553 PolarHBondContact N-O 3.41Å; T546-R553 PolarHBondContact O-N 2.77Å; Q550-R553 PolarHBondContact O-NH1 3.24Å; Q550-R553 VanDerWaalsContact O-NH1 3.16Å; T551-R553 PolarHBondContact O-N 3.28Å
554	W	98.5	Very high	97.3	Very high	76 Å²	76	68.7 Å²	68.7	29%	0.288	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	129.6	166.1	176.8	79.5	0	0	0	109.5	E427 K430 C434 S543 G556	E427-W554 PolarHBondContact OE2-N 2.89Å; K430-W554 HydrophobicContact CB-CB 3.81Å; K430-W554 HydrophobicContact CB-CD2 4.1Å; K430-W554 HydrophobicContact CB-CE3 4.32Å; K430-W554 HydrophobicContact CB-CG 3.91Å; K430-W554 HydrophobicContact CD-CB 4.22Å; K430-W554 HydrophobicContact CD-CE3 4.38Å; C434-W554 HydrophobicContact CB-CZ2 3.98Å; S543-W554 PolarHBondContact OG-NE1 2.92Å; W554-G556 VanDerWaalsContact CZ2-C 3.43Å; W554-G556 VanDerWaalsContact CZ2-CA 3.41Å; W554-G556 PolarHBondContact NE1-O 3.37Å
555	A	98.3	Very high	97.2	Very high	53 Å²	53	64.4 Å²	64.4	44%	0.438	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	12.2	-170.9	0	0	0	0	0	113.9	K544 T546	K544-A555 HydrophobicContact CB-CB 4.19Å; K544-A555 PolarHBondContact O-N 3.49Å; T546-A555 HydrophobicContact CG2-CB 4.17Å
556	G	97.9	Very high	97	Very high	17 Å²	17	66 Å²	66	18%	0.175	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	120.2	173.2	177.6	0	0	0	0	0	113.9	S543 K544 W554	S543-G556 WeakPolarHBondContact CA-O 3.28Å; K544-G556 PolarHBondContact N-O 3.27Å; W554-G556 VanDerWaalsContact CZ2-C 3.43Å; W554-G556 VanDerWaalsContact CZ2-CA 3.41Å; W554-G556 PolarHBondContact NE1-O 3.37Å
557	C	97.6	Very high	97	Very high	86 Å²	86	63.6 Å²	63.6	58%	0.581	34%	0.34	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	147.7	173.7	-48.2	0	0	0	0	111	C434	C434-C557 PolarHBondContact SG-SG 3.01Å
558	H	97.6	Very high	97	Very high	44 Å²	44	65 Å²	65	20%	0.204	33%	0.334	C	S	.	.			trans	-108.8	133.8	169.4	-172.9	108.6	0	0	0	109.4	Q541 Y542 K544 D560	Q541-H558 HydrophobicContact CG-CB 4.12Å; Q541-H558 PolarHBondContact NE2-ND1 2.82Å; Y542-H558 PolarHBondContact O-N 2.71Å; K544-H558 HydrophobicContact CG-CB 3.99Å; H558-D560 PolarHBondContact CD2-N 3.37Å
559	H	95.9	Very high	97	Very high	158 Å²	158	60.5 Å²	60.5	73%	0.731	32%	0.316	S	S	*	.			trans	-101.2	99	171.8	-179.8	76.7	0	0	0	109.1	T561	H559-T561 PolarHBondContact O-N 3.02Å
560	D	96.6	Very high	97.2	Very high	5 Å²	5	60.6 Å²	60.6	3%	0.027	31%	0.311	C	S	.	.			trans	-75.3	108.1	-172.6	-170.4	-15.9	0	0	0	111.2	Q540 Q541 H558 T562 R570	Q540-D560 WeakPolarHBondContact CA-OD2 3.38Å; Q540-D560 HydrophobicContact CG-CB 3.73Å; Q540-D560 WeakPolarHBondContact CG-OD2 3.21Å; Q541-D560 PolarHBondContact N-OD2 3.21Å; H558-D560 PolarHBondContact CD2-N 3.37Å; D560-T562 WeakPolarHBondContact OD1-CB 3.29Å; D560-T562 PolarHBondContact OD1-N 2.91Å; D560-T562 PolarHBondContact OD1-OG1 3.46Å; D560-R570 PolarHBondContact O-NH1 2.74Å; D560-R570 PolarHBondContact O-NH2 2.85Å
561	T	95.9	Very high	97.3	Very high	112 Å²	112	53.8 Å²	53.8	69%	0.687	28%	0.281	S	S	*	.			trans	-90	-1.2	177.7	53.5	0	0	0	0	113.3	H559	H559-T561 PolarHBondContact O-N 3.02Å
562	T	96.4	Very high	97.3	Very high	15 Å²	15	50 Å²	50	9%	0.092	26%	0.257	C	S	.	.			trans	-51.7	126.2	179.1	-56.4	0	0	0	0	109.7	Y484 D560 R570 C571 T572	Y484-T562 HydrophobicContact CD2-CG2 4.28Å; Y484-T562 HydrophobicContact CE2-CG2 3.69Å; D560-T562 WeakPolarHBondContact OD1-CB 3.29Å; D560-T562 PolarHBondContact OD1-N 2.91Å; D560-T562 PolarHBondContact OD1-OG1 3.46Å; T562-R570 HydrophobicContact CG2-CB 4.09Å; T562-R570 VanDerWaalsContact O-CD 3.24Å; T562-R570 WeakPolarHBondContact O-CD 3.44Å; T562-R570 PolarHBondContact O-NH1 2.82Å; T562-C571 HydrophobicContact CG2-CB 3.97Å; T562-T572 WeakPolarHBondContact CG2-OG1 3.34Å
563	P	96.3	Very high	97.3	Very high	50 Å²	50	51 Å²	51	33%	0.325	26%	0.262	S	S	.	.			trans	-60.8	166.9	179.5	28.3	-35.1	0	0	0	110.8	P223 Y484 R570 C571	P223-P563 HydrophobicContact CG-CG 4.01Å; Y484-P563 WeakPolarHBondContact OH-CD 3.43Å; Y484-P563 WeakPolarHBondContact OH-CG 3.46Å; P563-R570 CarbonylContact O-C 3.53Å; P563-R570 WeakPolarHBondContact O-CA 3.2Å; P563-C571 HydrophobicContact CG-CB 4.18Å; P563-C571 PolarHBondContact O-N 3.34Å; P563-C571 PolarHBondContact O-SG 2.75Å
564	R	96.3	Very high	97.3	Very high	52 Å²	52	46.2 Å²	46.2	20%	0.196	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-114.5	140.9	178.4	-67.2	179.5	179.6	-83.2	6.3	110.9	Q381 R568 R569 R570	Q381-R564 VanDerWaalsContact OE1-NH1 3.15Å; R564-R568 WeakPolarHBondContact CD-O 3.48Å; R564-R568 PolarHBondContact NH1-O 3Å; R564-R569 CarbonylContact C-O 3.56Å; R564-R569 WeakPolarHBondContact CA-O 3.19Å; R564-R569 WeakPolarHBondContact CB-O 3.44Å; R564-R570 VanDerWaalsContact CZ-NE 3.35Å
565	D	96.4	Very high	97.4	Very high	19 Å²	19	42.6 Å²	42.6	10%	0.102	23%	0.23	C	C	.	.			trans	-72	179.5	174.1	72.3	6.2	0	0	0	112.5	L229 W567 R568 R569	L229-D565 HydrophobicContact CD1-CB 3.86Å; L229-D565 WeakPolarHBondContact CD1-OD2 3.37Å; D565-W567 PolarHBondContact O-N 3.17Å; D565-W567 VanDerWaalsContact OD1-C 3.27Å; D565-W567 WeakPolarHBondContact OD1-CA 3.47Å; D565-W567 WeakPolarHBondContact OD1-CB 3.12Å; D565-W567 PolarHBondContact OD1-N 3.42Å; D565-R568 WeakPolarHBondContact O-CA 3.07Å; D565-R568 PolarHBondContact O-N 3.44Å; D565-R568 PolarHBondContact OD1-N 2.89Å; D565-R569 PolarHBondContact N-O 3.45Å; D565-R569 WeakPolarHBondContact OD1-CB 3.46Å; D565-R569 PolarHBondContact OD1-N 3.04Å; D565-R569 IonicContact OD1-NE 2.68Å; D565-R569 IonicContact OD2-CZ 2.88Å; D565-R569 IonicContact OD2-NE 3.55Å; D565-R569 PolarHBondContact OD2-NE 3Å; D565-R569 IonicContact OD2-NH2 3.62Å; D565-R569 PolarHBondContact OD2-NH2 2.95Å
566	D	95.1	Very high	97.4	Very high	88 Å²	88	40.3 Å²	40.3	47%	0.471	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-28.2	178.3	-72	-33	0	0	0	113	L229 R568	L229-D566 HydrophobicContact CB-CB 4.4Å; L229-D566 HydrophobicContact CD1-CB 4.38Å; D566-R568 VanDerWaalsContact C-N 3.28Å; D566-R568 PolarHBondContact O-N 3.12Å
567	W	97.4	Very high	97.4	Very high	32 Å²	32	39.5 Å²	39.5	12%	0.121	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	5.2	176.2	-62.8	3.3	0	0	0	112.9	L229 P230 L232 H239 L447 D565 R569	L229-W567 HydrophobicContact CD1-CD2 4.09Å; L229-W567 HydrophobicContact CD1-CG 3.94Å; P230-W567 HydrophobicContact CG-CZ2 4.25Å; P230-W567 PolarHBondContact O-NE1 2.6Å; L232-W567 HydrophobicContact CB-CD2 4.06Å; L232-W567 HydrophobicContact CB-CG 4.05Å; L232-W567 HydrophobicContact CB-CZ2 4.48Å; L232-W567 HydrophobicContact CD1-CD2 3.92Å; L232-W567 HydrophobicContact CD1-CE3 3.84Å; L232-W567 HydrophobicContact CD1-CH2 4.14Å; L232-W567 HydrophobicContact CD1-CZ2 4.2Å; L232-W567 HydrophobicContact CD1-CZ3 3.97Å; L232-W567 HydrophobicContact CD2-CG 4.42Å; L232-W567 HydrophobicContact CG-CD2 4.39Å; H239-W567 AromaticContact CE1-CH2 3.94Å; H239-W567 AromaticContact CE1-CZ3 3.78Å; L447-W567 VanDerWaalsContact CD1-O 3.25Å; L447-W567 WeakPolarHBondContact CD1-O 3.38Å; L447-W567 WeakPolarHBondContact CG-O 3.38Å; D565-W567 PolarHBondContact O-N 3.17Å; D565-W567 VanDerWaalsContact OD1-C 3.27Å; D565-W567 WeakPolarHBondContact OD1-CA 3.47Å; D565-W567 WeakPolarHBondContact OD1-CB 3.12Å; D565-W567 PolarHBondContact OD1-N 3.42Å; W567-R569 HydrophobicContact CB-CG 4.13Å; W567-R569 VanDerWaalsContact CE3-CZ 3.44Å; W567-R569 PolarHBondContact O-N 3.26Å
568	R	97.5	Very high	97.5	Very high	67 Å²	67	35.8 Å²	35.8	25%	0.253	18%	0.177	S	C	.	.	S	Bend	trans	64.9	20	-178.6	-45.3	-59.4	160.1	-162.2	-10.3	114.3	L248 G446 L447 R564 D565 D566	L248-R568 HydrophobicContact CD1-CG 4.06Å; L248-R568 HydrophobicContact CD2-CG 4.25Å; L248-R568 HydrophobicContact CG-CG 4.04Å; G446-R568 VanDerWaalsContact CA-O 3.26Å; G446-R568 WeakPolarHBondContact CA-O 3.4Å; L447-R568 PolarHBondContact N-O 3.12Å; R564-R568 WeakPolarHBondContact CD-O 3.48Å; R564-R568 PolarHBondContact NH1-O 3Å; D565-R568 WeakPolarHBondContact O-CA 3.07Å; D565-R568 PolarHBondContact O-N 3.44Å; D565-R568 PolarHBondContact OD1-N 2.89Å; D566-R568 VanDerWaalsContact C-N 3.28Å; D566-R568 PolarHBondContact O-N 3.12Å
569	R	98.4	Very high	97.5	Very high	21 Å²	21	34 Å²	34	8%	0.079	17%	0.17	C	C	.	.			trans	-81.6	142	169.9	-55	-179.7	-57.9	171.2	7.9	108.6	L447 T449 R564 D565 W567	L447-R569 HydrophobicContact CB-CG 4.02Å; L447-R569 WeakPolarHBondContact O-CA 3.21Å; L447-R569 WeakPolarHBondContact O-CG 3.46Å; T449-R569 WeakPolarHBondContact OG1-CD 3.31Å; T449-R569 PolarHBondContact OG1-NH1 2.86Å; R564-R569 CarbonylContact C-O 3.56Å; R564-R569 WeakPolarHBondContact CA-O 3.19Å; R564-R569 WeakPolarHBondContact CB-O 3.44Å; D565-R569 PolarHBondContact N-O 3.45Å; D565-R569 WeakPolarHBondContact OD1-CB 3.46Å; D565-R569 PolarHBondContact OD1-N 3.04Å; D565-R569 IonicContact OD1-NE 2.68Å; D565-R569 IonicContact OD2-CZ 2.88Å; D565-R569 IonicContact OD2-NE 3.55Å; D565-R569 PolarHBondContact OD2-NE 3Å; D565-R569 IonicContact OD2-NH2 3.62Å; D565-R569 PolarHBondContact OD2-NH2 2.95Å; W567-R569 HydrophobicContact CB-CG 4.13Å; W567-R569 VanDerWaalsContact CE3-CZ 3.44Å; W567-R569 PolarHBondContact O-N 3.26Å
570	R	98	Very high	97.7	Very high	34 Å²	34	28.3 Å²	28.3	13%	0.128	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-56.7	145.5	167.9	-64.9	-65.9	-174.1	166	12.6	109.8	G538 Q540 D560 T562 P563 R564 T572	G538-R570 WeakPolarHBondContact CA-O 3.23Å; Q540-R570 HydrophobicContact CB-CG 4.26Å; D560-R570 PolarHBondContact O-NH1 2.74Å; D560-R570 PolarHBondContact O-NH2 2.85Å; T562-R570 HydrophobicContact CG2-CB 4.09Å; T562-R570 VanDerWaalsContact O-CD 3.24Å; T562-R570 WeakPolarHBondContact O-CD 3.44Å; T562-R570 PolarHBondContact O-NH1 2.82Å; P563-R570 CarbonylContact O-C 3.53Å; P563-R570 WeakPolarHBondContact O-CA 3.2Å; R564-R570 VanDerWaalsContact CZ-NE 3.35Å; R570-T572 PolarHBondContact O-N 3.07Å
571	C	97.9	Very high	97.7	Very high	8 Å²	8	33 Å²	33	5%	0.054	17%	0.167	C	C	.	.	S	Bend	trans	-72.9	47.2	173.1	-65	0	0	0	0	112.6	M222 T562 P563	M222-C571 HydrophobicContact CB-CB 4.19Å; T562-C571 HydrophobicContact CG2-CB 3.97Å; P563-C571 HydrophobicContact CG-CB 4.18Å; P563-C571 PolarHBondContact O-N 3.34Å; P563-C571 PolarHBondContact O-SG 2.75Å
572	T	98.6	Very high	97.8	Very high	9 Å²	9	28.4 Å²	28.4	6%	0.055	14%	0.137	C	C	.	.			trans	-119.7	111.9	177.7	-50.5	0	0	0	0	106.6	T537 G538 T562 R570 I574	T537-T572 WeakPolarHBondContact CA-O 3.23Å; G538-T572 PolarHBondContact N-O 3.01Å; T562-T572 WeakPolarHBondContact CG2-OG1 3.34Å; R570-T572 PolarHBondContact O-N 3.07Å; T572-I574 HydrophobicContact CG2-CD1 4.16Å; T572-I574 HydrophobicContact CG2-CG1 4.11Å
573	E	98.7	Very high	97.7	Very high	21 Å²	21	38.3 Å²	38.3	10%	0.098	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	117.5	178.1	-170.3	174.1	-117.2	0	0	108.2	L487 Q488 I535 T537 R648	L487-E573 HydrophobicContact CD1-CB 4.4Å; L487-E573 HydrophobicContact CD1-CG 3.75Å; Q488-E573 PolarHBondContact N-O 3.16Å; I535-E573 HydrophobicContact CG2-CG 3.88Å; T537-E573 HydrophobicContact CG2-CB 4.45Å; E573-R648 IonicContact OE2-NH2 2.7Å
574	I	98.9	Very high	97.6	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.021	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.9	-176.5	-58.1	171.3	0	0	0	108.2	Q488 D490 R511 L518 I535 V536 T572	Q488-I574 HydrophobicContact CB-CG1 4.43Å; Q488-I574 CarbonylContact O-C 3.56Å; Q488-I574 VanDerWaalsContact O-CA 3.26Å; Q488-I574 WeakPolarHBondContact O-CA 3.4Å; D490-I574 HydrophobicContact CB-CG2 3.89Å; R511-I574 HydrophobicContact CG-CD1 4.43Å; L518-I574 HydrophobicContact CD1-CD1 3.88Å; L518-I574 HydrophobicContact CD2-CD1 4.17Å; I535-I574 CarbonylContact C-O 3.57Å; I535-I574 WeakPolarHBondContact CA-O 3.41Å; V536-I574 PolarHBondContact N-O 3.37Å; V536-I574 PolarHBondContact O-N 2.93Å; T572-I574 HydrophobicContact CG2-CD1 4.16Å; T572-I574 HydrophobicContact CG2-CG1 4.11Å
575	V	98.9	Very high	97.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	119.6	176.1	62.2	0	0	0	0	112	L487 Q488 V489 D490 C533 L534 I535 I577	L487-V575 HydrophobicContact CD1-CB 3.9Å; L487-V575 HydrophobicContact CD1-CG1 3.68Å; L487-V575 HydrophobicContact CD2-CG1 4.07Å; L487-V575 HydrophobicContact CG-CG1 3.8Å; Q488-V575 PolarHBondContact O-N 3.28Å; V489-V575 HydrophobicContact CG2-CG1 4.26Å; D490-V575 PolarHBondContact N-O 3.04Å; C533-V575 HydrophobicContact CB-CG2 4.09Å; L534-V575 WeakPolarHBondContact O-CA 3.41Å; I535-V575 HydrophobicContact CG1-CB 4.24Å; I535-V575 HydrophobicContact CG1-CG2 3.82Å; V575-I577 HydrophobicContact CG2-CG2 4.27Å
576	A	98.9	Very high	97.7	Very high	4 Å²	4	38.3 Å²	38.3	3%	0.033	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	110.9	174	0	0	0	0	0	109.9	D490 A492 V496 L534	D490-A576 HydrophobicContact CB-CB 4.34Å; D490-A576 WeakPolarHBondContact OD2-CB 3.32Å; A492-A576 HydrophobicContact CB-CB 3.76Å; V496-A576 HydrophobicContact CG1-CB 4.17Å; L534-A576 HydrophobicContact CB-CB 4.28Å; L534-A576 PolarHBondContact N-O 3.48Å; L534-A576 PolarHBondContact O-N 2.83Å
577	I	98.9	Very high	97.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122.4	170.8	46.2	168.6	0	0	0	109.7	V489 D490 A492 C533 V575 K600 F605 W623	V489-I577 HydrophobicContact CG1-CD1 3.83Å; V489-I577 HydrophobicContact CG1-CG1 3.73Å; D490-I577 PolarHBondContact O-N 2.87Å; A492-I577 PolarHBondContact N-O 3.07Å; C533-I577 HydrophobicContact CB-CG2 3.78Å; V575-I577 HydrophobicContact CG2-CG2 4.27Å; I577-K600 HydrophobicContact CB-CD 3.91Å; I577-K600 HydrophobicContact CB-CG 4.05Å; I577-K600 HydrophobicContact CG2-CD 3.89Å; I577-K600 HydrophobicContact CG2-CG 4.29Å; I577-K600 WeakPolarHBondContact CG2-O 3.42Å; I577-F605 HydrophobicContact CD1-CE1 4Å; I577-F605 HydrophobicContact CD1-CZ 4.2Å; I577-W623 HydrophobicContact CB-CZ2 4.14Å; I577-W623 HydrophobicContact CD1-CD2 4.27Å; I577-W623 HydrophobicContact CD1-CH2 4.4Å; I577-W623 HydrophobicContact CD1-CZ2 3.95Å; I577-W623 HydrophobicContact CG1-CZ2 4.16Å; I577-W623 PolarHBondContact O-NE1 2.66Å
578	D	98.6	Very high	97.8	Very high	8 Å²	8	37 Å²	37	4%	0.043	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	127.6	178.6	64.4	-72.3	0	0	0	111.3	A492 K494 R596 K600	A492-D578 VanDerWaalsContact O-CA 3.27Å; A492-D578 WeakPolarHBondContact O-CA 3.4Å; A492-D578 WeakPolarHBondContact O-CB 3.5Å; K494-D578 HydrophobicContact CB-CB 4.06Å; D578-R596 PolarHBondContact O-NH1 2.93Å; D578-R596 IonicContact OD2-CZ 2.74Å; D578-R596 IonicContact OD2-NH1 3.83Å; D578-R596 IonicContact OD2-NH2 3.75Å; D578-R596 PolarHBondContact OD2-NH2 3.47Å; D578-K600 WeakPolarHBondContact O-CG 3.46Å; D578-K600 WeakPolarHBondContact OD1-CE 3.4Å; D578-K600 IonicContact OD1-NZ 2.81Å; D578-K600 PolarHBondContact OD1-NZ 3.45Å
579	A	98.6	Very high	97.8	Very high	6 Å²	6	34 Å²	34	5%	0.05	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-83.5	158.7	170.6	0	0	0	0	0	111.2	W623 G624 F628	A579-W623 HydrophobicContact CB-CD2 4.12Å; A579-W623 HydrophobicContact CB-CG 4.46Å; A579-W623 HydrophobicContact CB-CZ2 3.87Å; A579-G624 VanDerWaalsContact CB-CA 3.49Å; A579-F628 HydrophobicContact CB-CD2 4.17Å; A579-F628 WeakPolarHBondContact O-CD2 3.23Å; A579-F628 WeakPolarHBondContact O-CE2 3.35Å
580	L	98.4	Very high	97.8	Very high	40 Å²	40	36.1 Å²	36.1	21%	0.209	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-70.2	143.5	169.8	-69.6	178	0	0	0	111.3	F582 K593 R596 E597	L580-F582 HydrophobicContact CB-CD2 4.38Å; L580-F582 HydrophobicContact CB-CE1 4.21Å; L580-F582 HydrophobicContact CB-CE2 3.62Å; L580-F582 HydrophobicContact CB-CZ 3.54Å; L580-F582 HydrophobicContact CD1-CE1 4.34Å; L580-F582 HydrophobicContact CD1-CZ 3.9Å; L580-F582 HydrophobicContact CG-CZ 4.35Å; L580-F582 WeakPolarHBondContact O-CD2 3.46Å; L580-K593 HydrophobicContact CD1-CD 3.78Å; L580-R596 HydrophobicContact CD1-CB 4.39Å; L580-R596 HydrophobicContact CD1-CG 4.13Å; L580-E597 PolarHBondContact N-OE1 3.31Å; L580-E597 PolarHBondContact N-OE2 3.1Å
581	Q	97.8	Very high	97.8	Very high	103 Å²	103	36.3 Å²	36.3	48%	0.481	17%	0.17	S	C	.	.			trans	-89.1	114.4	169.3	174.8	170.3	70.4	0	0	110.3	V627 F628	Q581-V627 PolarHBondContact NE2-O 2.93Å; Q581-V627 VanDerWaalsContact NE2-O 3.11Å; Q581-F628 CarbonylContact C-O 3.58Å; Q581-F628 WeakPolarHBondContact CA-O 3.26Å; Q581-F628 HydrophobicContact CB-CB 4.31Å; Q581-F628 HydrophobicContact CB-CD1 4.28Å; Q581-F628 HydrophobicContact CB-CG 4.13Å
582	F	96.9	Very high	97.8	Very high	16 Å²	16	40.9 Å²	40.9	7%	0.07	19%	0.194	C	C	.	.			trans	-97.4	125.4	176.6	-61.3	-76.4	0	0	0	110.8	L580 E587 Q588 K593 F628	L580-F582 HydrophobicContact CB-CD2 4.38Å; L580-F582 HydrophobicContact CB-CE1 4.21Å; L580-F582 HydrophobicContact CB-CE2 3.62Å; L580-F582 HydrophobicContact CB-CZ 3.54Å; L580-F582 HydrophobicContact CD1-CE1 4.34Å; L580-F582 HydrophobicContact CD1-CZ 3.9Å; L580-F582 HydrophobicContact CG-CZ 4.35Å; L580-F582 WeakPolarHBondContact O-CD2 3.46Å; F582-E587 HydrophobicContact CD1-CB 3.88Å; F582-E587 HydrophobicContact CE1-CB 4.37Å; F582-Q588 HydrophobicContact CD1-CB 3.78Å; F582-Q588 HydrophobicContact CD2-CB 3.83Å; F582-Q588 HydrophobicContact CE1-CB 3.62Å; F582-Q588 HydrophobicContact CE2-CB 3.68Å; F582-Q588 HydrophobicContact CG-CB 3.86Å; F582-Q588 HydrophobicContact CZ-CB 3.56Å; F582-K593 HydrophobicContact CE1-CB 4.13Å; F582-K593 HydrophobicContact CE1-CG 4.16Å; F582-K593 HydrophobicContact CZ-CB 4.19Å; F582-F628 PolarHBondContact N-O 2.97Å
583	R	94.4	Very high	97.8	Very high	222 Å²	222	44.4 Å²	44.4	84%	0.838	21%	0.209	S	C	*	.	S	Bend	trans	-97.3	-25	173.3	-65.6	-176.7	-178.5	-178.6	0.9	112.3
584	N	95.1	Very high	97.8	Very high	71 Å²	71	43.6 Å²	43.6	38%	0.38	21%	0.205	S	C	.	.	S	Bend	trans	-112.2	126.6	169.9	175.8	9	0	0	0	108.1	L586 E587	N584-L586 PolarHBondContact O-N 3.42Å; N584-L586 PolarHBondContact OD1-N 2.91Å; N584-E587 HydrophobicContact CB-CG 3.91Å; N584-E587 WeakPolarHBondContact CB-OE1 3.16Å; N584-E587 PolarHBondContact O-N 2.76Å
585	F	96.5	Very high	97.8	Very high	30 Å²	30	45.3 Å²	45.3	13%	0.132	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-27.8	-173.7	177.4	-92.6	0	0	0	113.3	Q588 F589 D631 R700	F585-Q588 WeakPolarHBondContact O-CG 3.45Å; F585-Q588 PolarHBondContact O-NE2 2.92Å; F585-F589 HydrophobicContact CD1-CE2 4.08Å; F585-F589 AromaticContact CE1-CE2 3.63Å; F585-F589 HydrophobicContact CE1-CE2 3.63Å; F585-F589 HydrophobicContact CE1-CZ 4.08Å; F585-F589 HydrophobicContact CZ-CE2 4.05Å; F585-F589 HydrophobicContact CZ-CZ 4.15Å; F585-D631 HydrophobicContact CE2-CB 3.74Å; F585-D631 HydrophobicContact CZ-CB 3.97Å; F585-D631 WeakPolarHBondContact CZ-OD2 3.3Å; F585-R700 HydrophobicContact CD1-CB 4.38Å; F585-R700 HydrophobicContact CD1-CG 3.71Å; F585-R700 HydrophobicContact CE1-CG 4.02Å; F585-R700 HydrophobicContact CG-CG 4.08Å
586	L	97.4	Very high	97.8	Very high	20 Å²	20	46.4 Å²	46.4	11%	0.105	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-23.5	-179	-67.2	175.5	0	0	0	113.6	N584 Q588 F589 C693 C696 R698 P701	N584-L586 PolarHBondContact O-N 3.42Å; N584-L586 PolarHBondContact OD1-N 2.91Å; L586-Q588 PolarHBondContact O-N 2.98Å; L586-F589 PolarHBondContact O-N 2.67Å; L586-C693 HydrophobicContact CD2-CB 4.22Å; L586-C696 HydrophobicContact CD1-CB 3.76Å; L586-C696 HydrophobicContact CD2-CB 4.45Å; L586-R698 WeakPolarHBondContact CD1-O 3.43Å; L586-P701 HydrophobicContact CD2-CG 4.43Å
587	E	97.1	Very high	97.8	Very high	92 Å²	92	46.2 Å²	46.2	43%	0.43	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-60	-32	-175.8	-75.6	169.1	-172.5	0	0	112.9	F582 N584 F589 H590 K593	F582-E587 HydrophobicContact CD1-CB 3.88Å; F582-E587 HydrophobicContact CE1-CB 4.37Å; N584-E587 HydrophobicContact CB-CG 3.91Å; N584-E587 WeakPolarHBondContact CB-OE1 3.16Å; N584-E587 PolarHBondContact O-N 2.76Å; E587-F589 PolarHBondContact O-N 3.48Å; E587-H590 WeakPolarHBondContact O-CB 3.32Å; E587-H590 PolarHBondContact O-N 2.72Å; E587-K593 VanDerWaalsContact O-CG 3.29Å; E587-K593 WeakPolarHBondContact O-CG 2.98Å
588	Q	98	Very high	97.8	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.009	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-69.2	-19.4	-177.5	72.2	-170.1	-51.7	0	0	114.6	F582 F585 L586 H590 I594 L634	F582-Q588 HydrophobicContact CD1-CB 3.78Å; F582-Q588 HydrophobicContact CD2-CB 3.83Å; F582-Q588 HydrophobicContact CE1-CB 3.62Å; F582-Q588 HydrophobicContact CE2-CB 3.68Å; F582-Q588 HydrophobicContact CG-CB 3.86Å; F582-Q588 HydrophobicContact CZ-CB 3.56Å; F585-Q588 WeakPolarHBondContact O-CG 3.45Å; F585-Q588 PolarHBondContact O-NE2 2.92Å; L586-Q588 PolarHBondContact O-N 2.98Å; Q588-H590 VanDerWaalsContact C-N 3.35Å; Q588-I594 WeakPolarHBondContact O-CG1 3.5Å; Q588-L634 HydrophobicContact CB-CD2 4.22Å; Q588-L634 HydrophobicContact CG-CD2 3.68Å
589	F	98.4	Very high	97.8	Very high	3 Å²	3	47.4 Å²	47.4	1%	0.013	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-86.2	-8.5	178	-60.3	-83.5	0	0	0	112.2	F585 L586 E587 I594 D631 L634 Y688 Y689 C693 L705	F585-F589 HydrophobicContact CD1-CE2 4.08Å; F585-F589 AromaticContact CE1-CE2 3.63Å; F585-F589 HydrophobicContact CE1-CE2 3.63Å; F585-F589 HydrophobicContact CE1-CZ 4.08Å; F585-F589 HydrophobicContact CZ-CE2 4.05Å; F585-F589 HydrophobicContact CZ-CZ 4.15Å; L586-F589 PolarHBondContact O-N 2.67Å; E587-F589 PolarHBondContact O-N 3.48Å; F589-I594 WeakPolarHBondContact O-CD1 3.5Å; F589-D631 HydrophobicContact CZ-CB 4.37Å; F589-L634 HydrophobicContact CD1-CD1 4.33Å; F589-L634 HydrophobicContact CD1-CD2 3.87Å; F589-L634 HydrophobicContact CE1-CB 4.17Å; F589-L634 HydrophobicContact CE1-CD1 4.27Å; F589-L634 HydrophobicContact CE1-CD2 3.76Å; F589-L634 HydrophobicContact CE1-CG 4.28Å; F589-L634 HydrophobicContact CG-CD2 4.45Å; F589-L634 HydrophobicContact CZ-CD2 4.25Å; F589-Y688 AromaticContact CD1-CD1 3.72Å; F589-Y688 HydrophobicContact CD1-CD1 3.72Å; F589-Y688 AromaticContact CD1-CE1 3.55Å; F589-Y688 HydrophobicContact CD1-CE1 3.55Å; F589-Y688 HydrophobicContact CE1-CD1 4.09Å; F589-Y688 AromaticContact CE1-CE1 3.54Å; F589-Y688 HydrophobicContact CE1-CE1 3.54Å; F589-Y688 HydrophobicContact CG-CD1 4.4Å; F589-Y688 HydrophobicContact CG-CE1 4.16Å; F589-Y688 HydrophobicContact CZ-CE1 4.16Å; F589-Y689 HydrophobicContact CB-CD2 4.18Å; F589-Y689 VanDerWaalsContact O-CB 3.31Å; F589-Y689 WeakPolarHBondContact O-CB 3.46Å; F589-Y689 VanDerWaalsContact O-CD2 3.25Å; F589-Y689 WeakPolarHBondContact O-CD2 3.44Å; F589-C693 HydrophobicContact CB-CB 4.31Å; F589-L705 HydrophobicContact CE1-CB 4.5Å; F589-L705 HydrophobicContact CE1-CD2 4.32Å
590	H	98.3	Very high	97.8	Very high	65 Å²	65	47.1 Å²	47.1	30%	0.301	22%	0.22	S	C	.	.	S	Bend	trans	-63	136.2	175.4	-172.6	-76	0	0	0	110.2	E587 Q588 D592 K593 I594 Y689	E587-H590 WeakPolarHBondContact O-CB 3.32Å; E587-H590 PolarHBondContact O-N 2.72Å; Q588-H590 VanDerWaalsContact C-N 3.35Å; H590-D592 VanDerWaalsContact C-N 3.34Å; H590-D592 IonicContact CE1-OD1 2.75Å; H590-D592 IonicContact CE1-OD2 3.89Å; H590-D592 PolarHBondContact CE1-OD2 3.47Å; H590-D592 VanDerWaalsContact CE1-OD2 3.27Å; H590-D592 PolarHBondContact ND1-N 3.29Å; H590-D592 IonicContact ND1-OD2 2.76Å; H590-D592 PolarHBondContact O-N 3.02Å; H590-K593 HydrophobicContact CB-CG 4.11Å; H590-K593 WeakPolarHBondContact O-CA 3.29Å; H590-K593 WeakPolarHBondContact O-CB 3.38Å; H590-K593 PolarHBondContact O-N 2.88Å; H590-I594 PolarHBondContact O-N 2.98Å; H590-I594 VanDerWaalsContact O-N 3.09Å; H590-Y689 HydrophobicContact CB-CE2 4.13Å; H590-Y689 AromaticContact CD2-CZ 3.8Å; H590-Y689 PolarHBondContact CD2-OH 3.05Å
591	P	97.6	Very high	97.8	Very high	39 Å²	39	45.2 Å²	45.2	25%	0.253	21%	0.211	S	C	.	.	H	α-helix	trans	-50.5	-46.3	-174.3	-31.9	36.4	0	0	0	114.4	K593 I594 N595 Y689	P591-K593 PolarHBondContact O-N 3.03Å; P591-K593 VanDerWaalsContact O-N 3.16Å; P591-I594 PolarHBondContact O-N 3.07Å; P591-N595 WeakPolarHBondContact O-CB 3Å; P591-N595 PolarHBondContact O-N 2.84Å; P591-N595 PolarHBondContact O-ND2 3.46Å; P591-Y689 HydrophobicContact CG-CD1 4.04Å; P591-Y689 HydrophobicContact CG-CE1 4.46Å
592	D	98.1	Very high	97.8	Very high	104 Å²	104	42.5 Å²	42.5	56%	0.556	20%	0.196	S	C	*	.	H	α-helix	trans	-55	-33.5	174.9	-57.5	-8.4	0	0	0	114.1	H590 R596	H590-D592 VanDerWaalsContact C-N 3.34Å; H590-D592 IonicContact CE1-OD1 2.75Å; H590-D592 IonicContact CE1-OD2 3.89Å; H590-D592 PolarHBondContact CE1-OD2 3.47Å; H590-D592 VanDerWaalsContact CE1-OD2 3.27Å; H590-D592 PolarHBondContact ND1-N 3.29Å; H590-D592 IonicContact ND1-OD2 2.76Å; H590-D592 PolarHBondContact O-N 3.02Å; D592-R596 VanDerWaalsContact O-CB 3.29Å; D592-R596 WeakPolarHBondContact O-CB 3.15Å; D592-R596 PolarHBondContact O-N 2.63Å
593	K	98.6	Very high	97.9	Very high	83 Å²	83	41.8 Å²	41.8	36%	0.361	19%	0.193	S	C	.	.	H	α-helix	trans	-81.3	-38.9	-178.8	-54.6	-52.3	178.9	-165.3	0	110.9	L580 F582 E587 H590 P591 R596 E597	L580-K593 HydrophobicContact CD1-CD 3.78Å; F582-K593 HydrophobicContact CE1-CB 4.13Å; F582-K593 HydrophobicContact CE1-CG 4.16Å; F582-K593 HydrophobicContact CZ-CB 4.19Å; E587-K593 VanDerWaalsContact O-CG 3.29Å; E587-K593 WeakPolarHBondContact O-CG 2.98Å; H590-K593 HydrophobicContact CB-CG 4.11Å; H590-K593 WeakPolarHBondContact O-CA 3.29Å; H590-K593 WeakPolarHBondContact O-CB 3.38Å; H590-K593 PolarHBondContact O-N 2.88Å; P591-K593 PolarHBondContact O-N 3.03Å; P591-K593 VanDerWaalsContact O-N 3.16Å; K593-R596 PolarHBondContact O-N 3.26Å; K593-E597 WeakPolarHBondContact O-CG 3.24Å; K593-E597 PolarHBondContact O-N 2.98Å; K593-E597 VanDerWaalsContact O-N 3.11Å
594	I	98.6	Very high	98.1	Very high	3 Å²	3	31.3 Å²	31.3	2%	0.015	15%	0.154	C	C	.	.	H	α-helix	trans	-59.5	-51.9	170.2	-65	168.8	0	0	0	109.7	Q588 F589 H590 P591 R596 E597 L598 Y682 L685	Q588-I594 WeakPolarHBondContact O-CG1 3.5Å; F589-I594 WeakPolarHBondContact O-CD1 3.5Å; H590-I594 PolarHBondContact O-N 2.98Å; H590-I594 VanDerWaalsContact O-N 3.09Å; P591-I594 PolarHBondContact O-N 3.07Å; I594-R596 PolarHBondContact O-N 3.26Å; I594-E597 PolarHBondContact O-N 2.83Å; I594-L598 HydrophobicContact CG2-CD1 3.69Å; I594-L598 HydrophobicContact CG2-CG 4.3Å; I594-L598 WeakPolarHBondContact O-CB 3.27Å; I594-L598 WeakPolarHBondContact O-CG 3.46Å; I594-L598 PolarHBondContact O-N 3.27Å; I594-Y682 HydrophobicContact CG2-CE2 4.34Å; I594-L685 HydrophobicContact CD1-CB 3.98Å; I594-L685 HydrophobicContact CG2-CD1 3.87Å
595	N	98.4	Very high	98.2	Very high	40 Å²	40	28 Å²	28	21%	0.214	14%	0.136	C	C	.	.	H	α-helix	trans	-57.9	-43.1	177.8	-83.7	-44.5	0	0	0	113	P591 E597 N599 Y682	P591-N595 WeakPolarHBondContact O-CB 3Å; P591-N595 PolarHBondContact O-N 2.84Å; P591-N595 PolarHBondContact O-ND2 3.46Å; N595-E597 PolarHBondContact O-N 3.15Å; N595-N599 VanDerWaalsContact O-CB 3.24Å; N595-N599 WeakPolarHBondContact O-CB 3.48Å; N595-N599 PolarHBondContact O-N 2.69Å; N595-N599 PolarHBondContact O-ND2 3.13Å; N595-Y682 PolarHBondContact ND2-OH 3.45Å; N595-Y682 WeakPolarHBondContact OD1-CE2 3.4Å; N595-Y682 PolarHBondContact OD1-OH 3.05Å
596	R	98.7	Very high	98.1	Very high	23 Å²	23	27.4 Å²	27.4	9%	0.087	14%	0.136	C	C	.	.	H	α-helix	trans	-58.8	-49.3	176.2	-172.2	-77.5	-169.5	-172	-12.1	111.1	D530 D578 L580 D592 K593 I594 N599 K600	D530-R596 HydrophobicContact CB-CG 4.17Å; D530-R596 IonicContact OD1-CZ 3.11Å; D530-R596 IonicContact OD1-NE 3.78Å; D530-R596 PolarHBondContact OD1-NE 2.92Å; D530-R596 IonicContact OD1-NH2 2.77Å; D530-R596 PolarHBondContact OD1-NH2 3.06Å; D578-R596 PolarHBondContact O-NH1 2.93Å; D578-R596 IonicContact OD2-CZ 2.74Å; D578-R596 IonicContact OD2-NH1 3.83Å; D578-R596 IonicContact OD2-NH2 3.75Å; D578-R596 PolarHBondContact OD2-NH2 3.47Å; L580-R596 HydrophobicContact CD1-CB 4.39Å; L580-R596 HydrophobicContact CD1-CG 4.13Å; D592-R596 VanDerWaalsContact O-CB 3.29Å; D592-R596 WeakPolarHBondContact O-CB 3.15Å; D592-R596 PolarHBondContact O-N 2.63Å; K593-R596 PolarHBondContact O-N 3.26Å; I594-R596 PolarHBondContact O-N 3.26Å; R596-N599 PolarHBondContact O-N 3.2Å; R596-K600 VanDerWaalsContact O-CB 3.24Å; R596-K600 WeakPolarHBondContact O-CB 3.48Å; R596-K600 PolarHBondContact O-N 3.01Å
597	E	98.9	Very high	97.6	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	15%	0.146	C	C	.	.	H	α-helix	trans	-71.6	-35.6	-176	-57.2	-77.1	-122.8	0	0	112.1	L580 K593 I594 N595 A601 W623 K635 I638	L580-E597 PolarHBondContact N-OE1 3.31Å; L580-E597 PolarHBondContact N-OE2 3.1Å; K593-E597 WeakPolarHBondContact O-CG 3.24Å; K593-E597 PolarHBondContact O-N 2.98Å; K593-E597 VanDerWaalsContact O-N 3.11Å; I594-E597 PolarHBondContact O-N 2.83Å; N595-E597 PolarHBondContact O-N 3.15Å; E597-A601 WeakPolarHBondContact O-CB 3.41Å; E597-A601 PolarHBondContact O-N 3.05Å; E597-W623 HydrophobicContact CB-CH2 4.32Å; E597-W623 HydrophobicContact CB-CZ3 4.26Å; E597-K635 WeakPolarHBondContact OE1-CE 3.43Å; E597-K635 IonicContact OE1-NZ 3.28Å; E597-K635 PolarHBondContact OE1-NZ 2.86Å; E597-I638 HydrophobicContact CB-CD1 4.18Å; E597-I638 HydrophobicContact CB-CG2 4.09Å
598	L	98.8	Very high	96.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-60.5	-52.6	170.4	-78.6	169.4	0	0	0	111.5	W461 I594 K600 A601 Y602 I638 L641 Y682	W461-L598 HydrophobicContact CD2-CB 4.25Å; W461-L598 HydrophobicContact CD2-CD1 3.95Å; W461-L598 HydrophobicContact CD2-CG 4.5Å; W461-L598 HydrophobicContact CE3-CD1 4.19Å; W461-L598 HydrophobicContact CE3-CD2 4.15Å; W461-L598 HydrophobicContact CG-CD1 4.16Å; W461-L598 HydrophobicContact CH2-CB 4.14Å; W461-L598 HydrophobicContact CH2-CD2 4.18Å; W461-L598 HydrophobicContact CZ2-CB 3.72Å; W461-L598 HydrophobicContact CZ3-CD2 3.94Å; I594-L598 HydrophobicContact CG2-CD1 3.69Å; I594-L598 HydrophobicContact CG2-CG 4.3Å; I594-L598 WeakPolarHBondContact O-CB 3.27Å; I594-L598 WeakPolarHBondContact O-CG 3.46Å; I594-L598 PolarHBondContact O-N 3.27Å; L598-K600 VanDerWaalsContact C-N 3.31Å; L598-K600 PolarHBondContact O-N 3.13Å; L598-A601 PolarHBondContact O-N 3.11Å; L598-Y602 VanDerWaalsContact O-CB 3.32Å; L598-Y602 WeakPolarHBondContact O-CB 3.22Å; L598-Y602 PolarHBondContact O-N 2.97Å; L598-I638 HydrophobicContact CD2-CB 4.26Å; L598-I638 HydrophobicContact CD2-CG1 4.36Å; L598-I638 HydrophobicContact CD2-CG2 3.94Å; L598-I638 WeakPolarHBondContact CD2-O 3.44Å; L598-I638 HydrophobicContact CG-CG1 4.4Å; L598-I638 HydrophobicContact CG-CG2 4.11Å; L598-L641 HydrophobicContact CD2-CB 3.81Å; L598-L641 HydrophobicContact CD2-CD1 4.1Å; L598-Y682 HydrophobicContact CD1-CD2 3.69Å; L598-Y682 HydrophobicContact CD1-CE2 3.98Å
599	N	98.7	Very high	94.5	Very high	32 Å²	32	39.5 Å²	39.5	17%	0.171	20%	0.202	C	C	.	.	H	α-helix	trans	-62.5	-37.7	179.4	-71.7	-23.2	0	0	0	112.2	L455 P458 W461 N595 R596 C603	L455-N599 HydrophobicContact CD2-CB 4.05Å; L455-N599 WeakPolarHBondContact CD2-O 3.45Å; P458-N599 VanDerWaalsContact CB-OD1 3.24Å; P458-N599 WeakPolarHBondContact CB-OD1 3.45Å; W461-N599 PolarHBondContact NE1-OD1 3.27Å; N595-N599 VanDerWaalsContact O-CB 3.24Å; N595-N599 WeakPolarHBondContact O-CB 3.48Å; N595-N599 PolarHBondContact O-N 2.69Å; N595-N599 PolarHBondContact O-ND2 3.13Å; R596-N599 PolarHBondContact O-N 3.2Å; N599-C603 WeakPolarHBondContact O-CB 3.45Å; N599-C603 PolarHBondContact O-N 2.96Å
600	K	98.9	Very high	93.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.9	-48.4	174.8	174.5	62.6	57.3	162.1	0	111.9	D529 D530 E532 I577 D578 R596 L598 C603 G604 W623	D529-K600 PolarHBondContact O-NZ 3Å; D530-K600 VanDerWaalsContact O-CE 3.22Å; D530-K600 WeakPolarHBondContact O-CE 3.31Å; E532-K600 PolarHBondContact O-NZ 3.3Å; I577-K600 HydrophobicContact CB-CD 3.91Å; I577-K600 HydrophobicContact CB-CG 4.05Å; I577-K600 HydrophobicContact CG2-CD 3.89Å; I577-K600 HydrophobicContact CG2-CG 4.29Å; I577-K600 WeakPolarHBondContact CG2-O 3.42Å; D578-K600 WeakPolarHBondContact O-CG 3.46Å; D578-K600 WeakPolarHBondContact OD1-CE 3.4Å; D578-K600 IonicContact OD1-NZ 2.81Å; D578-K600 PolarHBondContact OD1-NZ 3.45Å; R596-K600 VanDerWaalsContact O-CB 3.24Å; R596-K600 WeakPolarHBondContact O-CB 3.48Å; R596-K600 PolarHBondContact O-N 3.01Å; L598-K600 VanDerWaalsContact C-N 3.31Å; L598-K600 PolarHBondContact O-N 3.13Å; K600-C603 PolarHBondContact O-N 3.15Å; K600-G604 PolarHBondContact O-N 2.76Å; K600-G604 VanDerWaalsContact O-N 3.16Å; K600-W623 HydrophobicContact CB-CH2 4.1Å; K600-W623 HydrophobicContact CG-CH2 3.72Å; K600-W623 HydrophobicContact CG-CZ2 3.65Å
601	A	98.8	Very high	91.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.6	-45.6	176.9	0	0	0	0	0	111.4	E597 L598 C603 G604 F605 W623 A642	E597-A601 WeakPolarHBondContact O-CB 3.41Å; E597-A601 PolarHBondContact O-N 3.05Å; L598-A601 PolarHBondContact O-N 3.11Å; A601-C603 PolarHBondContact O-N 3.38Å; A601-G604 CarbonylContact O-C 3.57Å; A601-G604 WeakPolarHBondContact O-CA 3.42Å; A601-G604 PolarHBondContact O-N 2.71Å; A601-F605 HydrophobicContact CB-CD2 4.41Å; A601-F605 HydrophobicContact CB-CE2 3.84Å; A601-F605 HydrophobicContact CB-CZ 4.1Å; A601-F605 WeakPolarHBondContact O-CD1 3.42Å; A601-F605 WeakPolarHBondContact O-CD2 3.5Å; A601-F605 WeakPolarHBondContact O-CG 3.36Å; A601-F605 PolarHBondContact O-N 3.39Å; A601-W623 HydrophobicContact CB-CH2 4.39Å; A601-W623 HydrophobicContact CB-CZ3 4.13Å; A601-A642 HydrophobicContact CB-CB 3.58Å
602	Y	98.6	Very high	90.9	Very high	47 Å²	47	46 Å²	46	18%	0.184	24%	0.237	C	C	.	.	H	α-helix	trans	-60.9	-43.1	176.2	-178.5	-99	0	0	0	112.3	L455 P459 W461 L598 G604 F605 S606 E645 A646	L455-Y602 HydrophobicContact CD1-CD1 3.73Å; L455-Y602 HydrophobicContact CD1-CE1 3.7Å; L455-Y602 HydrophobicContact CD2-CD1 3.99Å; P459-Y602 HydrophobicContact CG-CD1 3.73Å; P459-Y602 HydrophobicContact CG-CD2 3.97Å; P459-Y602 HydrophobicContact CG-CE1 3.62Å; P459-Y602 HydrophobicContact CG-CE2 3.87Å; P459-Y602 HydrophobicContact CG-CG 3.89Å; W461-Y602 HydrophobicContact CH2-CD2 4.31Å; W461-Y602 HydrophobicContact CH2-CG 4.32Å; W461-Y602 HydrophobicContact CZ2-CG 4.37Å; L598-Y602 VanDerWaalsContact O-CB 3.32Å; L598-Y602 WeakPolarHBondContact O-CB 3.22Å; L598-Y602 PolarHBondContact O-N 2.97Å; Y602-G604 PolarHBondContact O-N 3.36Å; Y602-F605 PolarHBondContact O-N 3.29Å; Y602-F605 VanDerWaalsContact O-N 3.14Å; Y602-S606 WeakPolarHBondContact O-CB 3.1Å; Y602-S606 PolarHBondContact O-N 2.93Å; Y602-S606 PolarHBondContact O-OG 3.38Å; Y602-E645 HydrophobicContact CD2-CB 3.68Å; Y602-E645 HydrophobicContact CE2-CB 3.61Å; Y602-A646 HydrophobicContact CD2-CB 4.3Å; Y602-A646 HydrophobicContact CE2-CB 4.31Å
603	C	98.2	Very high	90.2	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	24%	0.237	C	C	.	.	H	α-helix	trans	-57.1	-32.8	172.3	-174.3	0	0	0	0	112.2	Q453 L455 N531 C533 N599 K600 A601	Q453-C603 PolarHBondContact NE2-O 2.93Å; L455-C603 HydrophobicContact CB-CB 3.89Å; L455-C603 HydrophobicContact CD2-CB 4.25Å; N531-C603 PolarHBondContact O-SG 2.79Å; C533-C603 PolarHBondContact SG-O 3.44Å; N599-C603 WeakPolarHBondContact O-CB 3.45Å; N599-C603 PolarHBondContact O-N 2.96Å; K600-C603 PolarHBondContact O-N 3.15Å; A601-C603 PolarHBondContact O-N 3.38Å
604	G	98.2	Very high	89.9	Confident	1 Å²	1	44.9 Å²	44.9	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-77.6	-34.2	174.9	0	0	0	0	0	114.7	K600 A601 Y602	K600-G604 PolarHBondContact O-N 2.76Å; K600-G604 VanDerWaalsContact O-N 3.16Å; A601-G604 CarbonylContact O-C 3.57Å; A601-G604 WeakPolarHBondContact O-CA 3.42Å; A601-G604 PolarHBondContact O-N 2.71Å; Y602-G604 PolarHBondContact O-N 3.36Å
605	F	98.2	Very high	89.7	Confident	1 Å²	1	45 Å²	45	0%	0.004	23%	0.231	C	C	.	.	H	α-helix	trans	-95.6	-31.4	-170.9	-54.6	-19.9	0	0	0	113.7	L487 V489 I577 A601 Y602 V618 Q639 A642 A643 A646 R648	L487-F605 HydrophobicContact CD2-CD1 4.14Å; V489-F605 HydrophobicContact CG2-CE1 3.73Å; V489-F605 HydrophobicContact CG2-CZ 4.33Å; I577-F605 HydrophobicContact CD1-CE1 4Å; I577-F605 HydrophobicContact CD1-CZ 4.2Å; A601-F605 HydrophobicContact CB-CD2 4.41Å; A601-F605 HydrophobicContact CB-CE2 3.84Å; A601-F605 HydrophobicContact CB-CZ 4.1Å; A601-F605 WeakPolarHBondContact O-CD1 3.42Å; A601-F605 WeakPolarHBondContact O-CD2 3.5Å; A601-F605 WeakPolarHBondContact O-CG 3.36Å; A601-F605 PolarHBondContact O-N 3.39Å; Y602-F605 PolarHBondContact O-N 3.29Å; Y602-F605 VanDerWaalsContact O-N 3.14Å; F605-V618 HydrophobicContact CB-CG2 4.32Å; F605-V618 HydrophobicContact CD1-CG1 3.97Å; F605-V618 HydrophobicContact CD1-CG2 4.01Å; F605-V618 HydrophobicContact CD2-CG2 4.3Å; F605-V618 HydrophobicContact CE1-CG1 3.63Å; F605-V618 HydrophobicContact CE1-CG2 4.46Å; F605-V618 HydrophobicContact CE2-CG1 4.44Å; F605-V618 HydrophobicContact CG-CG2 3.95Å; F605-V618 HydrophobicContact CZ-CG1 3.89Å; F605-Q639 HydrophobicContact CE2-CB 4.43Å; F605-Q639 HydrophobicContact CZ-CG 4.44Å; F605-A642 HydrophobicContact CD2-CB 4.05Å; F605-A642 HydrophobicContact CE2-CB 4.15Å; F605-A643 HydrophobicContact CD2-CB 4.09Å; F605-A643 HydrophobicContact CE2-CB 4.41Å; F605-A646 HydrophobicContact CB-CB 3.67Å; F605-R648 PolarHBondContact O-NE 3.42Å
606	S	94.6	Very high	89.7	Confident	18 Å²	18	43.2 Å²	43.2	13%	0.126	22%	0.222	C	C	.	.			trans	-67.1	147.9	179.3	65.7	0	0	0	0	112.5	Q453 Y602	Q453-S606 PolarHBondContact NE2-O 3.48Å; Y602-S606 WeakPolarHBondContact O-CB 3.1Å; Y602-S606 PolarHBondContact O-N 2.93Å; Y602-S606 PolarHBondContact O-OG 3.38Å
607	Y	85.9	Confident	89.7	Confident	79 Å²	79	42.1 Å²	42.1	31%	0.31	22%	0.218	S	C	.	.			trans	-148.6	102.3	175.6	-161.9	-82.7	0	0	0	109.3	E609 K610	Y607-E609 HydrophobicContact CE1-CB 4.25Å; Y607-E609 PolarHBondContact O-N 3.07Å; Y607-E609 VanDerWaalsContact O-N 3.1Å; Y607-K610 HydrophobicContact CD1-CB 3.76Å; Y607-K610 HydrophobicContact CD1-CD 3.5Å; Y607-K610 VanDerWaalsContact CD1-CD 3.5Å; Y607-K610 HydrophobicContact CD1-CG 3.47Å; Y607-K610 VanDerWaalsContact CD1-CG 3.47Å; Y607-K610 HydrophobicContact CE1-CB 4.43Å; Y607-K610 HydrophobicContact CE1-CD 3.67Å; Y607-K610 HydrophobicContact CE1-CG 3.66Å; Y607-K610 HydrophobicContact CG-CD 4.09Å; Y607-K610 HydrophobicContact CG-CG 4.46Å; Y607-K610 PolarHBondContact O-N 2.8Å
608	S	66.4	Low	89.7	Confident	121 Å²	121	42.1 Å²	42.1	85%	0.846	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-20	-164.3	51.4	0	0	0	0	116
609	E	64	Low	89.7	Confident	168 Å²	168	42.1 Å²	42.1	79%	0.785	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.3	2	-173.1	-60.6	-175.5	171.2	0	0	114.1	Y607	Y607-E609 HydrophobicContact CE1-CB 4.25Å; Y607-E609 PolarHBondContact O-N 3.07Å; Y607-E609 VanDerWaalsContact O-N 3.1Å
610	K	68	Low	89.7	Confident	59 Å²	59	40.6 Å²	40.6	26%	0.257	21%	0.21	S	C	.	.	S	Bend	trans	-115	131.4	-178.1	-77.8	176	-172.3	174	0	111.4	Y607 L615	Y607-K610 HydrophobicContact CD1-CB 3.76Å; Y607-K610 HydrophobicContact CD1-CD 3.5Å; Y607-K610 VanDerWaalsContact CD1-CD 3.5Å; Y607-K610 HydrophobicContact CD1-CG 3.47Å; Y607-K610 VanDerWaalsContact CD1-CG 3.47Å; Y607-K610 HydrophobicContact CE1-CB 4.43Å; Y607-K610 HydrophobicContact CE1-CD 3.67Å; Y607-K610 HydrophobicContact CE1-CG 3.66Å; Y607-K610 HydrophobicContact CG-CD 4.09Å; Y607-K610 HydrophobicContact CG-CG 4.46Å; Y607-K610 PolarHBondContact O-N 2.8Å; K610-L615 HydrophobicContact CB-CD2 3.65Å; K610-L615 HydrophobicContact CB-CG 4.38Å; K610-L615 HydrophobicContact CD-CD2 3.72Å; K610-L615 HydrophobicContact CG-CD2 4.35Å
611	E	73.9	Confident	89.7	Confident	116 Å²	116	40.6 Å²	40.6	54%	0.542	21%	0.21	S	C	.	.			trans	-57.4	143	163.8	-54	171.1	148.8	0	0	110.1	Q613 N614	E611-Q613 HydrophobicContact CB-CG 3.94Å; E611-Q613 PolarHBondContact O-N 2.86Å; E611-Q613 VanDerWaalsContact O-N 3.12Å; E611-Q613 PolarHBondContact OE2-NE2 2.88Å; E611-N614 WeakPolarHBondContact O-CA 3.21Å; E611-N614 WeakPolarHBondContact O-CB 3.12Å; E611-N614 PolarHBondContact O-N 2.74Å; E611-N614 PolarHBondContact OE2-ND2 2.93Å
612	S	77.1	Confident	89.6	Confident	70 Å²	70	42 Å²	42	49%	0.49	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-58.1	-30.3	-175.7	56.3	0	0	0	0	114	R220 N614 L615	R220-S612 PolarHBondContact NH2-O 3.21Å; S612-N614 PolarHBondContact O-N 3.09Å; S612-L615 WeakPolarHBondContact O-CB 3.16Å; S612-L615 PolarHBondContact O-N 3.47Å
613	Q	83.5	Confident	89.6	Confident	119 Å²	119	39.8 Å²	39.8	56%	0.556	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-62.1	-26.3	173.2	63.4	-169	0.5	0	0	113.6	R220 E611	R220-Q613 VanDerWaalsContact CD-O 3.28Å; R220-Q613 WeakPolarHBondContact CD-O 3.49Å; E611-Q613 HydrophobicContact CB-CG 3.94Å; E611-Q613 PolarHBondContact O-N 2.86Å; E611-Q613 VanDerWaalsContact O-N 3.12Å; E611-Q613 PolarHBondContact OE2-NE2 2.88Å
614	N	91.3	Very high	89.6	Confident	43 Å²	43	40.1 Å²	40.1	23%	0.23	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-94.9	12.1	178.9	-57	-39.3	0	0	0	113.2	C225 E611 S612	C225-N614 CarbonylContact O-C 3.49Å; C225-N614 WeakPolarHBondContact O-CA 3.42Å; E611-N614 WeakPolarHBondContact O-CA 3.21Å; E611-N614 WeakPolarHBondContact O-CB 3.12Å; E611-N614 PolarHBondContact O-N 2.74Å; E611-N614 PolarHBondContact OE2-ND2 2.93Å; S612-N614 PolarHBondContact O-N 3.09Å
615	L	94.8	Very high	89.6	Confident	6 Å²	6	41.1 Å²	41.1	3%	0.031	22%	0.219	C	C	.	.			trans	-104.1	123.8	176.1	-58.9	-179.2	0	0	0	110.4	R220 K610 S612 A646 R648	R220-L615 PolarHBondContact NE-O 3.09Å; R220-L615 PolarHBondContact NH2-O 3.37Å; K610-L615 HydrophobicContact CB-CD2 3.65Å; K610-L615 HydrophobicContact CB-CG 4.38Å; K610-L615 HydrophobicContact CD-CD2 3.72Å; K610-L615 HydrophobicContact CG-CD2 4.35Å; S612-L615 WeakPolarHBondContact O-CB 3.16Å; S612-L615 PolarHBondContact O-N 3.47Å; L615-A646 WeakPolarHBondContact CD1-O 3.36Å; L615-R648 HydrophobicContact CB-CG 3.9Å; L615-R648 HydrophobicContact CD1-CG 4.01Å
616	A	97.4	Very high	89.3	Confident	2 Å²	2	44.1 Å²	44.1	2%	0.017	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-64	161.7	169.1	0	0	0	0	0	111.3	R220 M222 G485 R648	R220-A616 CarbonylContact O-C 3.52Å; R220-A616 WeakPolarHBondContact O-CA 3.28Å; R220-A616 WeakPolarHBondContact O-CB 3.36Å; M222-A616 HydrophobicContact CG-CB 4.34Å; G485-A616 WeakPolarHBondContact O-CB 3.4Å; A616-R648 WeakPolarHBondContact O-CD 3.11Å; A616-R648 PolarHBondContact O-NH1 2.76Å
617	A	98.6	Very high	89.1	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-62.2	163.1	170.3	0	0	0	0	0	111.7	L219 R220 M486 L487 D649	L219-A617 HydrophobicContact CB-CB 3.95Å; L219-A617 HydrophobicContact CD1-CB 4.16Å; R220-A617 PolarHBondContact O-N 2.91Å; M486-A617 WeakPolarHBondContact CB-O 3.18Å; M486-A617 HydrophobicContact CE-CB 4.07Å; M486-A617 HydrophobicContact CG-CB 4.28Å; M486-A617 HydrophobicContact SD-CB 4.18Å; L487-A617 PolarHBondContact N-O 3.42Å; A617-D649 CarbonylContact C-O 3.59Å; A617-D649 VanDerWaalsContact CA-O 3.25Å; A617-D649 WeakPolarHBondContact CA-O 3.49Å; A617-D649 HydrophobicContact CB-CB 4.18Å; A617-D649 WeakPolarHBondContact CB-O 3.42Å
618	V	98.9	Very high	89.5	Confident	1 Å²	1	47 Å²	47	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120.7	170.1	-176.5	0	0	0	0	108.9	L487 V489 F605 T620 A643 R648 D649 A651	L487-V618 HydrophobicContact CD2-CG2 4.44Å; L487-V618 CarbonylContact O-C 3.49Å; L487-V618 WeakPolarHBondContact O-CA 3.45Å; V489-V618 HydrophobicContact CG2-CG1 3.6Å; F605-V618 HydrophobicContact CB-CG2 4.32Å; F605-V618 HydrophobicContact CD1-CG1 3.97Å; F605-V618 HydrophobicContact CD1-CG2 4.01Å; F605-V618 HydrophobicContact CD2-CG2 4.3Å; F605-V618 HydrophobicContact CE1-CG1 3.63Å; F605-V618 HydrophobicContact CE1-CG2 4.46Å; F605-V618 HydrophobicContact CE2-CG1 4.44Å; F605-V618 HydrophobicContact CG-CG2 3.95Å; F605-V618 HydrophobicContact CZ-CG1 3.89Å; V618-T620 HydrophobicContact CG1-CG2 4.27Å; V618-A643 HydrophobicContact CG2-CB 4.41Å; V618-R648 HydrophobicContact CG2-CB 3.92Å; V618-R648 HydrophobicContact CG2-CG 4.4Å; V618-D649 PolarHBondContact N-O 2.71Å; V618-A651 PolarHBondContact O-N 2.89Å
619	A	98.9	Very high	90.9	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	109.8	169.5	0	0	0	0	0	109.4	I479 M486 L487 Q488 V489 A651 F653	I479-A619 HydrophobicContact CG2-CB 4.14Å; I479-A619 WeakPolarHBondContact CG2-O 3.34Å; M486-A619 HydrophobicContact CB-CB 3.76Å; M486-A619 HydrophobicContact CG-CB 4.44Å; M486-A619 HydrophobicContact SD-CB 3.88Å; L487-A619 PolarHBondContact O-N 3.33Å; Q488-A619 HydrophobicContact CG-CB 4.13Å; V489-A619 PolarHBondContact N-O 3.31Å; A619-A651 WeakPolarHBondContact CA-O 3.49Å; A619-F653 HydrophobicContact CB-CE2 4.21Å
620	T	98.9	Very high	92.6	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	-171.9	-173.5	-163.7	0	0	0	0	112.1	V618 Q639 V650 A651 Y652 F653	V618-T620 HydrophobicContact CG1-CG2 4.27Å; T620-Q639 PolarHBondContact OG1-OE1 3.16Å; T620-V650 HydrophobicContact CG2-CG1 4.15Å; T620-A651 PolarHBondContact N-O 2.89Å; T620-Y652 HydrophobicContact CG2-CD2 3.98Å; T620-Y652 HydrophobicContact CG2-CE2 4.46Å; T620-Y652 CarbonylContact O-C 3.59Å; T620-Y652 WeakPolarHBondContact O-CA 3.07Å; T620-F653 WeakPolarHBondContact O-CD2 3.26Å; T620-F653 PolarHBondContact O-N 3.31Å
621	G	98.7	Very high	94	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	-137.1	176.2	0	0	0	0	0	110.9	W623 Q639 Y652 F653	G621-W623 PolarHBondContact O-N 2.92Å; G621-Q639 PolarHBondContact O-NE2 3.04Å; G621-Y652 VanDerWaalsContact C-OH 3.26Å; G621-Y652 WeakPolarHBondContact O-CE2 3.36Å; G621-Y652 PolarHBondContact O-OH 3.13Å; G621-F653 VanDerWaalsContact CA-O 3.25Å; G621-F653 WeakPolarHBondContact CA-O 3.38Å
622	N	98.5	Very high	95.2	Very high	30 Å²	30	29.1 Å²	29.1	16%	0.16	19%	0.189	C	C	.	.	S	Bend	trans	-71.8	51.4	-172.9	-62.8	-24.4	0	0	0	115	G624 C625 T632 Y652 T654 L660	N622-G624 PolarHBondContact O-N 3.26Å; N622-C625 HydrophobicContact CB-CB 4.13Å; N622-C625 WeakPolarHBondContact O-CB 3.44Å; N622-C625 PolarHBondContact O-N 2.97Å; N622-C625 VanDerWaalsContact O-N 3.14Å; N622-T632 HydrophobicContact CB-CG2 4.21Å; N622-Y652 PolarHBondContact N-OH 2.88Å; N622-Y652 WeakPolarHBondContact OD1-CE1 3.44Å; N622-Y652 PolarHBondContact OD1-OH 2.98Å; N622-T654 PolarHBondContact ND2-O 2.83Å; N622-T654 VanDerWaalsContact ND2-O 3.15Å; N622-L660 WeakPolarHBondContact OD1-CD2 3.36Å
623	W	98.6	Very high	96.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	124.8	178.9	178.5	54	0	0	0	112.1	F491 I577 A579 E597 K600 A601 G621 C625 K635 Q639	F491-W623 HydrophobicContact CD1-CB 3.8Å; F491-W623 AromaticContact CD1-CD1 3.64Å; F491-W623 HydrophobicContact CD1-CG 4.1Å; F491-W623 HydrophobicContact CE1-CB 3.84Å; F491-W623 HydrophobicContact CG-CB 4.48Å; I577-W623 HydrophobicContact CB-CZ2 4.14Å; I577-W623 HydrophobicContact CD1-CD2 4.27Å; I577-W623 HydrophobicContact CD1-CH2 4.4Å; I577-W623 HydrophobicContact CD1-CZ2 3.95Å; I577-W623 HydrophobicContact CG1-CZ2 4.16Å; I577-W623 PolarHBondContact O-NE1 2.66Å; A579-W623 HydrophobicContact CB-CD2 4.12Å; A579-W623 HydrophobicContact CB-CG 4.46Å; A579-W623 HydrophobicContact CB-CZ2 3.87Å; E597-W623 HydrophobicContact CB-CH2 4.32Å; E597-W623 HydrophobicContact CB-CZ3 4.26Å; K600-W623 HydrophobicContact CB-CH2 4.1Å; K600-W623 HydrophobicContact CG-CH2 3.72Å; K600-W623 HydrophobicContact CG-CZ2 3.65Å; A601-W623 HydrophobicContact CB-CH2 4.39Å; A601-W623 HydrophobicContact CB-CZ3 4.13Å; G621-W623 PolarHBondContact O-N 2.92Å; W623-C625 PolarHBondContact O-N 3.02Å; W623-C625 VanDerWaalsContact O-N 3.14Å; W623-C625 PolarHBondContact O-SG 3.2Å; W623-K635 HydrophobicContact CE3-CD 3.76Å; W623-K635 HydrophobicContact CZ3-CD 4.14Å; W623-K635 WeakPolarHBondContact O-CG 3.28Å; W623-Q639 HydrophobicContact CE3-CG 4.05Å
624	G	97.5	Very high	97	Very high	9 Å²	9	23 Å²	23	9%	0.093	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.1	1.8	-179.9	0	0	0	0	0	116.5	A579 N622 F628 G629 G630	A579-G624 VanDerWaalsContact CB-CA 3.49Å; N622-G624 PolarHBondContact O-N 3.26Å; G624-F628 CarbonylContact O-C 3.5Å; G624-F628 WeakPolarHBondContact O-CB 3.12Å; G624-G629 PolarHBondContact O-N 2.89Å; G624-G630 PolarHBondContact O-N 2.64Å
625	C	97.1	Very high	97.3	Very high	22 Å²	22	21 Å²	21	15%	0.149	14%	0.139	C	C	.	.			trans	-88.6	-19.3	-169.6	-59.5	0	0	0	0	114.7	N622 W623 G630 T632	N622-C625 HydrophobicContact CB-CB 4.13Å; N622-C625 WeakPolarHBondContact O-CB 3.44Å; N622-C625 PolarHBondContact O-N 2.97Å; N622-C625 VanDerWaalsContact O-N 3.14Å; W623-C625 PolarHBondContact O-N 3.02Å; W623-C625 VanDerWaalsContact O-N 3.14Å; W623-C625 PolarHBondContact O-SG 3.2Å; C625-G630 WeakPolarHBondContact CA-O 3.47Å; C625-T632 HydrophobicContact CB-CG2 3.58Å
626	G	92.6	Very high	97.5	Very high	64 Å²	64	20.7 Å²	20.7	66%	0.66	14%	0.137	S	C	*	.	S	Bend	trans	-79.4	-109.8	-179.9	0	0	0	0	0	113.1	F628 G629	G626-F628 PolarHBondContact O-N 2.88Å; G626-G629 PolarHBondContact O-N 2.83Å
627	V	89.9	Confident	97.6	Very high	113 Å²	113	20.6 Å²	20.6	69%	0.685	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-15.9	-179.7	-177.6	0	0	0	0	113	Q581	Q581-V627 PolarHBondContact NE2-O 2.93Å; Q581-V627 VanDerWaalsContact NE2-O 3.11Å
628	F	94.8	Very high	97.6	Very high	44 Å²	44	20.7 Å²	20.7	19%	0.193	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.4	-5.9	179.6	-74	16.1	0	0	0	113.5	A579 Q581 F582 G624 G626 G630	A579-F628 HydrophobicContact CB-CD2 4.17Å; A579-F628 WeakPolarHBondContact O-CD2 3.23Å; A579-F628 WeakPolarHBondContact O-CE2 3.35Å; Q581-F628 CarbonylContact C-O 3.58Å; Q581-F628 WeakPolarHBondContact CA-O 3.26Å; Q581-F628 HydrophobicContact CB-CB 4.31Å; Q581-F628 HydrophobicContact CB-CD1 4.28Å; Q581-F628 HydrophobicContact CB-CG 4.13Å; F582-F628 PolarHBondContact N-O 2.97Å; G624-F628 CarbonylContact O-C 3.5Å; G624-F628 WeakPolarHBondContact O-CB 3.12Å; G626-F628 PolarHBondContact O-N 2.88Å; F628-G630 VanDerWaalsContact C-N 3.32Å; F628-G630 PolarHBondContact O-N 3.05Å
629	G	97	Very high	97.6	Very high	31 Å²	31	20.6 Å²	20.6	32%	0.32	14%	0.136	S	C	.	.			trans	74.4	10	166.3	0	0	0	0	0	116.9	G624 G626	G624-G629 PolarHBondContact O-N 2.89Å; G626-G629 PolarHBondContact O-N 2.83Å
630	G	98.1	Very high	97.6	Very high	8 Å²	8	20.8 Å²	20.8	8%	0.082	14%	0.137	C	C	.	.			trans	-64.9	154.1	173.8	0	0	0	0	0	113.6	G624 C625 F628	G624-G630 PolarHBondContact O-N 2.64Å; C625-G630 WeakPolarHBondContact CA-O 3.47Å; F628-G630 VanDerWaalsContact C-N 3.32Å; F628-G630 PolarHBondContact O-N 3.05Å
631	D	98.6	Very high	97.6	Very high	23 Å²	23	20.8 Å²	20.8	12%	0.123	14%	0.137	C	C	.	.			trans	-82.1	129.8	171.7	-176.1	-91.6	0	0	0	111	F585 F589 R633 L634 K635	F585-D631 HydrophobicContact CE2-CB 3.74Å; F585-D631 HydrophobicContact CZ-CB 3.97Å; F585-D631 WeakPolarHBondContact CZ-OD2 3.3Å; F589-D631 HydrophobicContact CZ-CB 4.37Å; D631-R633 PolarHBondContact O-N 3.44Å; D631-R633 WeakPolarHBondContact OD1-CA 3.47Å; D631-R633 WeakPolarHBondContact OD1-CB 3.32Å; D631-R633 PolarHBondContact OD1-N 3.04Å; D631-L634 HydrophobicContact CB-CB 4.11Å; D631-L634 PolarHBondContact OD1-N 2.99Å; D631-K635 VanDerWaalsContact O-CB 3.28Å; D631-K635 WeakPolarHBondContact O-CB 3.5Å; D631-K635 WeakPolarHBondContact O-CG 3.47Å; D631-K635 PolarHBondContact O-N 3.3Å
632	T	98.5	Very high	97.6	Very high	27 Å²	27	20.8 Å²	20.8	17%	0.166	14%	0.137	C	C	.	.	H	α-helix	trans	-67.7	-33.7	-175.6	47.6	0	0	0	0	113.6	N622 C625 A636 L660	N622-T632 HydrophobicContact CB-CG2 4.21Å; C625-T632 HydrophobicContact CB-CG2 3.58Å; T632-A636 VanDerWaalsContact O-CB 3.28Å; T632-A636 WeakPolarHBondContact O-CB 3.27Å; T632-A636 PolarHBondContact O-N 3.15Å; T632-L660 HydrophobicContact CG2-CD2 3.96Å; T632-L660 WeakPolarHBondContact OG1-CD1 3.47Å
633	R	98.7	Very high	97.6	Very high	60 Å²	60	19.4 Å²	19.4	23%	0.226	13%	0.13	C	C	.	.	H	α-helix	trans	-76.6	-40.4	-178.5	-74.6	172.9	-170	67.8	1.4	111	D631 L637 L660 D663 Y706	D631-R633 PolarHBondContact O-N 3.44Å; D631-R633 WeakPolarHBondContact OD1-CA 3.47Å; D631-R633 WeakPolarHBondContact OD1-CB 3.32Å; D631-R633 PolarHBondContact OD1-N 3.04Å; R633-L637 PolarHBondContact O-N 3.3Å; R633-L660 HydrophobicContact CG-CD1 3.81Å; R633-D663 IonicContact CZ-OD2 2.67Å; R633-D663 IonicContact NE-OD2 3.85Å; R633-D663 PolarHBondContact NE-OD2 3.17Å; R633-D663 IonicContact NH2-OD2 3.22Å; R633-D663 PolarHBondContact NH2-OD2 2.9Å; R633-Y706 HydrophobicContact CB-CD1 4.11Å; R633-Y706 HydrophobicContact CB-CD2 4.45Å; R633-Y706 HydrophobicContact CB-CE1 3.62Å; R633-Y706 HydrophobicContact CB-CE2 4Å; R633-Y706 HydrophobicContact CG-CD2 4.18Å; R633-Y706 HydrophobicContact CG-CE1 4.32Å; R633-Y706 HydrophobicContact CG-CE2 3.77Å; R633-Y706 PolarHBondContact O-OH 2.93Å
634	L	98.8	Very high	97.6	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-62.4	-48.1	169.8	178.8	66.3	0	0	0	111.4	Q588 F589 D631 A636 L637 I638 L685 L705	Q588-L634 HydrophobicContact CB-CD2 4.22Å; Q588-L634 HydrophobicContact CG-CD2 3.68Å; F589-L634 HydrophobicContact CD1-CD1 4.33Å; F589-L634 HydrophobicContact CD1-CD2 3.87Å; F589-L634 HydrophobicContact CE1-CB 4.17Å; F589-L634 HydrophobicContact CE1-CD1 4.27Å; F589-L634 HydrophobicContact CE1-CD2 3.76Å; F589-L634 HydrophobicContact CE1-CG 4.28Å; F589-L634 HydrophobicContact CG-CD2 4.45Å; F589-L634 HydrophobicContact CZ-CD2 4.25Å; D631-L634 HydrophobicContact CB-CB 4.11Å; D631-L634 PolarHBondContact OD1-N 2.99Å; L634-A636 VanDerWaalsContact C-N 3.31Å; L634-A636 PolarHBondContact O-N 3.32Å; L634-L637 PolarHBondContact O-N 2.92Å; L634-I638 HydrophobicContact CD1-CD1 3.99Å; L634-I638 HydrophobicContact CD1-CG1 4.29Å; L634-I638 HydrophobicContact CD2-CD1 4.3Å; L634-I638 HydrophobicContact CG-CD1 3.78Å; L634-I638 HydrophobicContact CG-CG1 4.42Å; L634-I638 WeakPolarHBondContact O-CG1 3.39Å; L634-I638 PolarHBondContact O-N 3.47Å; L634-L685 HydrophobicContact CD1-CD1 4.26Å; L634-L685 HydrophobicContact CD1-CD2 4.06Å; L634-L705 HydrophobicContact CB-CD2 4.01Å; L634-L705 HydrophobicContact CD1-CD2 3.82Å
635	K	98.9	Very high	97.6	Very high	1 Å²	1	21.1 Å²	21.1	0%	0.004	14%	0.136	C	C	.	.	H	α-helix	trans	-67.5	-28.5	-179.4	-79.4	-74.4	-166.6	-72.9	0	113.3	E597 W623 D631 Q639	E597-K635 WeakPolarHBondContact OE1-CE 3.43Å; E597-K635 IonicContact OE1-NZ 3.28Å; E597-K635 PolarHBondContact OE1-NZ 2.86Å; W623-K635 HydrophobicContact CE3-CD 3.76Å; W623-K635 HydrophobicContact CZ3-CD 4.14Å; W623-K635 WeakPolarHBondContact O-CG 3.28Å; D631-K635 VanDerWaalsContact O-CB 3.28Å; D631-K635 WeakPolarHBondContact O-CB 3.5Å; D631-K635 WeakPolarHBondContact O-CG 3.47Å; D631-K635 PolarHBondContact O-N 3.3Å; K635-Q639 WeakPolarHBondContact O-CB 3.22Å; K635-Q639 VanDerWaalsContact O-CG 3.28Å; K635-Q639 WeakPolarHBondContact O-CG 3.35Å; K635-Q639 PolarHBondContact O-N 3.47Å; K635-Q639 PolarHBondContact O-NE2 2.83Å
636	A	98.9	Very high	97.5	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-66.1	-50.1	169.5	0	0	0	0	0	111.5	T632 L634 I638 Q639 M640 Y652 V664	T632-A636 VanDerWaalsContact O-CB 3.28Å; T632-A636 WeakPolarHBondContact O-CB 3.27Å; T632-A636 PolarHBondContact O-N 3.15Å; L634-A636 VanDerWaalsContact C-N 3.31Å; L634-A636 PolarHBondContact O-N 3.32Å; A636-I638 PolarHBondContact O-N 2.9Å; A636-Q639 PolarHBondContact O-N 3.21Å; A636-M640 WeakPolarHBondContact O-CG 3.31Å; A636-M640 PolarHBondContact O-N 2.85Å; A636-Y652 HydrophobicContact CB-CE2 3.88Å; A636-V664 HydrophobicContact CB-CB 4.48Å; A636-V664 HydrophobicContact CB-CG1 3.81Å; A636-V664 HydrophobicContact CB-CG2 3.73Å
637	L	98.8	Very high	97.7	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-57.1	-50.8	175.6	-80.7	175.2	0	0	0	111.8	R633 L634 Q639 M640 L641 M667 L671 V681 L685 L705 Y706 I709	R633-L637 PolarHBondContact O-N 3.3Å; L634-L637 PolarHBondContact O-N 2.92Å; L637-Q639 VanDerWaalsContact C-N 3.27Å; L637-Q639 PolarHBondContact O-N 3.38Å; L637-M640 HydrophobicContact CD2-CE 3.91Å; L637-M640 PolarHBondContact O-N 3.39Å; L637-M640 VanDerWaalsContact O-N 3.07Å; L637-L641 VanDerWaalsContact O-CG 3.31Å; L637-L641 WeakPolarHBondContact O-CG 3.35Å; L637-L641 PolarHBondContact O-N 3.17Å; L637-M667 HydrophobicContact CD2-CG 4.11Å; L637-L671 HydrophobicContact CD2-CD1 3.88Å; L637-V681 HydrophobicContact CD2-CG1 4.31Å; L637-L685 HydrophobicContact CD1-CD2 4.16Å; L637-L705 HydrophobicContact CD1-CD2 3.98Å; L637-Y706 HydrophobicContact CD1-CD1 4.21Å; L637-Y706 HydrophobicContact CD1-CE1 3.54Å; L637-Y706 HydrophobicContact CG-CE1 3.85Å; L637-I709 HydrophobicContact CD1-CD1 3.7Å
638	I	98.9	Very high	98.1	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-53.9	-43.5	179	-73.6	173.5	0	0	0	111.7	E597 L598 L634 A636 A642	E597-I638 HydrophobicContact CB-CD1 4.18Å; E597-I638 HydrophobicContact CB-CG2 4.09Å; L598-I638 HydrophobicContact CD2-CB 4.26Å; L598-I638 HydrophobicContact CD2-CG1 4.36Å; L598-I638 HydrophobicContact CD2-CG2 3.94Å; L598-I638 WeakPolarHBondContact CD2-O 3.44Å; L598-I638 HydrophobicContact CG-CG1 4.4Å; L598-I638 HydrophobicContact CG-CG2 4.11Å; L634-I638 HydrophobicContact CD1-CD1 3.99Å; L634-I638 HydrophobicContact CD1-CG1 4.29Å; L634-I638 HydrophobicContact CD2-CD1 4.3Å; L634-I638 HydrophobicContact CG-CD1 3.78Å; L634-I638 HydrophobicContact CG-CG1 4.42Å; L634-I638 WeakPolarHBondContact O-CG1 3.39Å; L634-I638 PolarHBondContact O-N 3.47Å; A636-I638 PolarHBondContact O-N 2.9Å; I638-A642 WeakPolarHBondContact O-CB 3.33Å; I638-A642 PolarHBondContact O-N 3Å
639	Q	98.9	Very high	98.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-71.1	-36	178.9	-72.4	176.2	97.9	0	0	112.7	F605 T620 G621 W623 K635 A636 L637 A643	F605-Q639 HydrophobicContact CE2-CB 4.43Å; F605-Q639 HydrophobicContact CZ-CG 4.44Å; T620-Q639 PolarHBondContact OG1-OE1 3.16Å; G621-Q639 PolarHBondContact O-NE2 3.04Å; W623-Q639 HydrophobicContact CE3-CG 4.05Å; K635-Q639 WeakPolarHBondContact O-CB 3.22Å; K635-Q639 VanDerWaalsContact O-CG 3.28Å; K635-Q639 WeakPolarHBondContact O-CG 3.35Å; K635-Q639 PolarHBondContact O-N 3.47Å; K635-Q639 PolarHBondContact O-NE2 2.83Å; A636-Q639 PolarHBondContact O-N 3.21Å; L637-Q639 VanDerWaalsContact C-N 3.27Å; L637-Q639 PolarHBondContact O-N 3.38Å; Q639-A643 WeakPolarHBondContact O-CB 3.3Å; Q639-A643 PolarHBondContact O-N 2.93Å
640	M	98.9	Very high	98.4	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.02	6%	0.059	C	C	.	.	H	α-helix	trans	-67.4	-41.2	175.1	-68.8	-172.6	-61.7	0	0	112.1	L468 L471 A636 L637 A643 A644 V664 H668	L468-M640 HydrophobicContact CD2-CB 4.18Å; L471-M640 HydrophobicContact CD1-SD 4.14Å; L471-M640 HydrophobicContact CD2-SD 3.93Å; L471-M640 HydrophobicContact CG-SD 4.48Å; A636-M640 WeakPolarHBondContact O-CG 3.31Å; A636-M640 PolarHBondContact O-N 2.85Å; L637-M640 HydrophobicContact CD2-CE 3.91Å; L637-M640 PolarHBondContact O-N 3.39Å; L637-M640 VanDerWaalsContact O-N 3.07Å; M640-A643 PolarHBondContact O-N 3.12Å; M640-A644 VanDerWaalsContact O-CB 3.29Å; M640-A644 WeakPolarHBondContact O-CB 3.35Å; M640-A644 PolarHBondContact O-N 3.31Å; M640-V664 HydrophobicContact CE-CG1 4.15Å; M640-V664 HydrophobicContact SD-CG1 4.44Å; M640-H668 HydrophobicContact CE-CB 4.36Å; M640-H668 HydrophobicContact SD-CB 4.1Å
641	L	98.9	Very high	98.4	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-61.9	-48.1	174.4	-64.1	171.3	0	0	0	111.2	W461 L468 L598 L637 A643 A644 E645 V678 V681 L685	W461-L641 HydrophobicContact CZ3-CB 4.42Å; L468-L641 HydrophobicContact CD2-CD2 3.87Å; L598-L641 HydrophobicContact CD2-CB 3.81Å; L598-L641 HydrophobicContact CD2-CD1 4.1Å; L637-L641 VanDerWaalsContact O-CG 3.31Å; L637-L641 WeakPolarHBondContact O-CG 3.35Å; L637-L641 PolarHBondContact O-N 3.17Å; L641-A643 PolarHBondContact O-N 3.2Å; L641-A644 PolarHBondContact O-N 2.85Å; L641-E645 PolarHBondContact O-N 3.04Å; L641-V678 HydrophobicContact CB-CG1 4.41Å; L641-V678 HydrophobicContact CD2-CB 4.13Å; L641-V678 HydrophobicContact CD2-CG1 4.06Å; L641-V678 HydrophobicContact CD2-CG2 3.94Å; L641-V681 HydrophobicContact CD1-CB 4.47Å; L641-V681 HydrophobicContact CD1-CG1 3.98Å; L641-V681 HydrophobicContact CD2-CB 3.76Å; L641-V681 HydrophobicContact CD2-CG1 3.89Å; L641-V681 HydrophobicContact CD2-CG2 4.28Å; L641-V681 HydrophobicContact CG-CG1 4.38Å; L641-L685 HydrophobicContact CD1-CD1 4.3Å
642	A	98.8	Very high	98.5	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-66.6	-33.9	178.8	0	0	0	0	0	113.5	W461 A601 F605 I638 A646	W461-A642 HydrophobicContact CH2-CB 4.22Å; A601-A642 HydrophobicContact CB-CB 3.58Å; F605-A642 HydrophobicContact CD2-CB 4.05Å; F605-A642 HydrophobicContact CE2-CB 4.15Å; I638-A642 WeakPolarHBondContact O-CB 3.33Å; I638-A642 PolarHBondContact O-N 3Å; A642-A646 VanDerWaalsContact O-CB 3.28Å; A642-A646 WeakPolarHBondContact O-CB 3.43Å; A642-A646 PolarHBondContact O-N 3.34Å; A642-A646 VanDerWaalsContact O-N 3.11Å
643	A	98.6	Very high	98.5	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-72.2	-37.1	175	0	0	0	0	0	111.9	F605 V618 Q639 M640 L641 A646 G647 R648 V650	F605-A643 HydrophobicContact CD2-CB 4.09Å; F605-A643 HydrophobicContact CE2-CB 4.41Å; V618-A643 HydrophobicContact CG2-CB 4.41Å; Q639-A643 WeakPolarHBondContact O-CB 3.3Å; Q639-A643 PolarHBondContact O-N 2.93Å; M640-A643 PolarHBondContact O-N 3.12Å; L641-A643 PolarHBondContact O-N 3.2Å; A643-A646 CarbonylContact O-C 3.59Å; A643-A646 PolarHBondContact O-N 2.96Å; A643-G647 PolarHBondContact O-N 2.76Å; A643-G647 VanDerWaalsContact O-N 3.1Å; A643-R648 CarbonylContact C-O 3.55Å; A643-R648 PolarHBondContact O-N 3.33Å; A643-V650 HydrophobicContact CB-CG2 3.4Å; A643-V650 VanDerWaalsContact CB-CG2 3.4Å
644	A	98.3	Very high	98.5	Very high	5 Å²	5	4.8 Å²	4.8	4%	0.041	3%	0.031	C	C	.	.	H	α-helix	trans	-61.7	-51	174.6	0	0	0	0	0	111.5	T466 L468 T469 M640 L641 A646 G647 V678	T466-A644 HydrophobicContact CG2-CB 4.11Å; L468-A644 HydrophobicContact CD2-CB 4.32Å; T469-A644 HydrophobicContact CG2-CB 4.31Å; M640-A644 VanDerWaalsContact O-CB 3.29Å; M640-A644 WeakPolarHBondContact O-CB 3.35Å; M640-A644 PolarHBondContact O-N 3.31Å; L641-A644 PolarHBondContact O-N 2.85Å; A644-A646 PolarHBondContact O-N 2.64Å; A644-G647 PolarHBondContact O-N 3.44Å; A644-V678 HydrophobicContact CB-CG2 4.02Å
645	E	97.3	Very high	98.4	Very high	40 Å²	40	9.4 Å²	9.4	19%	0.187	5%	0.051	C	C	.	.	H	α-helix	trans	-57.4	-34.4	172.4	-76.4	-58.9	115.1	0	0	113	W461 S464 T466 Y602 L641 G647 V678	W461-E645 HydrophobicContact CE3-CG 4.07Å; W461-E645 HydrophobicContact CH2-CB 4.23Å; W461-E645 HydrophobicContact CH2-CG 3.9Å; W461-E645 HydrophobicContact CZ3-CB 4.16Å; W461-E645 HydrophobicContact CZ3-CG 3.4Å; S464-E645 WeakPolarHBondContact CB-OE1 3.44Å; S464-E645 PolarHBondContact OG-OE1 3.16Å; T466-E645 WeakPolarHBondContact CB-OE1 3.24Å; T466-E645 PolarHBondContact OG1-OE1 3.23Å; Y602-E645 HydrophobicContact CD2-CB 3.68Å; Y602-E645 HydrophobicContact CE2-CB 3.61Å; L641-E645 PolarHBondContact O-N 3.04Å; E645-G647 VanDerWaalsContact C-N 3.26Å; E645-G647 PolarHBondContact O-N 3.19Å; E645-V678 HydrophobicContact CG-CG1 4.1Å
646	A	96.6	Very high	98.3	Very high	9 Å²	9	11.8 Å²	11.8	7%	0.074	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	1	176.4	0	0	0	0	0	114	Y602 F605 L615 A642 A643 A644 R648	Y602-A646 HydrophobicContact CD2-CB 4.3Å; Y602-A646 HydrophobicContact CE2-CB 4.31Å; F605-A646 HydrophobicContact CB-CB 3.67Å; L615-A646 WeakPolarHBondContact CD1-O 3.36Å; A642-A646 VanDerWaalsContact O-CB 3.28Å; A642-A646 WeakPolarHBondContact O-CB 3.43Å; A642-A646 PolarHBondContact O-N 3.34Å; A642-A646 VanDerWaalsContact O-N 3.11Å; A643-A646 CarbonylContact O-C 3.59Å; A643-A646 PolarHBondContact O-N 2.96Å; A644-A646 PolarHBondContact O-N 2.64Å; A646-R648 VanDerWaalsContact C-N 3.3Å; A646-R648 PolarHBondContact O-N 3.04Å
647	G	96.6	Very high	98.2	Very high	23 Å²	23	15 Å²	15	24%	0.237	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.9	23.1	-179.5	0	0	0	0	0	114.8	R220 A643 A644 E645	R220-G647 PolarHBondContact NH2-O 3.29Å; A643-G647 PolarHBondContact O-N 2.76Å; A643-G647 VanDerWaalsContact O-N 3.1Å; A644-G647 PolarHBondContact O-N 3.44Å; E645-G647 VanDerWaalsContact C-N 3.26Å; E645-G647 PolarHBondContact O-N 3.19Å
648	R	98	Very high	98.1	Very high	5 Å²	5	19 Å²	19	2%	0.019	12%	0.115	C	C	.	.			trans	-112.6	140.8	-177.3	-67.3	-172.4	-179.6	-116.9	16.3	112.2	T469 E573 F605 L615 A616 V618 A643 A646	T469-R648 VanDerWaalsContact CB-O 3.29Å; T469-R648 WeakPolarHBondContact CB-O 3.37Å; T469-R648 WeakPolarHBondContact CG2-O 3.5Å; T469-R648 PolarHBondContact OG1-O 3.4Å; E573-R648 IonicContact OE2-NH2 2.7Å; F605-R648 PolarHBondContact O-NE 3.42Å; L615-R648 HydrophobicContact CB-CG 3.9Å; L615-R648 HydrophobicContact CD1-CG 4.01Å; A616-R648 WeakPolarHBondContact O-CD 3.11Å; A616-R648 PolarHBondContact O-NH1 2.76Å; V618-R648 HydrophobicContact CG2-CB 3.92Å; V618-R648 HydrophobicContact CG2-CG 4.4Å; A643-R648 CarbonylContact C-O 3.55Å; A643-R648 PolarHBondContact O-N 3.33Å; A646-R648 VanDerWaalsContact C-N 3.3Å; A646-R648 PolarHBondContact O-N 3.04Å
649	D	98.6	Very high	98.1	Very high	8 Å²	8	24 Å²	24	4%	0.043	14%	0.139	C	C	.	.			trans	-74.1	162.7	165.7	-54.6	-66.9	0	0	0	110.8	L219 R220 R470 A617 V618	L219-D649 HydrophobicContact CD2-CB 3.78Å; R220-D649 IonicContact CZ-OD2 2.63Å; R220-D649 IonicContact NH1-OD2 2.78Å; R220-D649 PolarHBondContact NH1-OD2 3.25Å; R220-D649 IonicContact NH2-OD2 3.21Å; R470-D649 HydrophobicContact CB-CB 4.26Å; R470-D649 WeakPolarHBondContact CB-OD1 3.27Å; R470-D649 WeakPolarHBondContact CG-OD1 3.31Å; R470-D649 IonicContact CZ-OD1 3.91Å; R470-D649 IonicContact CZ-OD2 3.82Å; R470-D649 PolarHBondContact N-OD1 3.44Å; R470-D649 VanDerWaalsContact N-OD1 3.15Å; R470-D649 VanDerWaalsContact NE-CG 3.33Å; R470-D649 IonicContact NE-OD1 3.6Å; R470-D649 PolarHBondContact NE-OD1 3.46Å; R470-D649 IonicContact NE-OD2 3.72Å; R470-D649 PolarHBondContact NE-OD2 3.36Å; R470-D649 IonicContact NH2-OD1 2.86Å; R470-D649 IonicContact NH2-OD2 2.76Å; R470-D649 PolarHBondContact NH2-OD2 2.77Å; R470-D649 WeakPolarHBondContact O-CA 3.25Å; R470-D649 WeakPolarHBondContact O-CB 3.47Å; A617-D649 CarbonylContact C-O 3.59Å; A617-D649 VanDerWaalsContact CA-O 3.25Å; A617-D649 WeakPolarHBondContact CA-O 3.49Å; A617-D649 HydrophobicContact CB-CB 4.18Å; A617-D649 WeakPolarHBondContact CB-O 3.42Å; V618-D649 PolarHBondContact N-O 2.71Å
650	V	98.9	Very high	98.1	Very high	2 Å²	2	24 Å²	24	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	133.1	-177	-178	0	0	0	0	111.6	R470 L471 H472 T620 A643	R470-V650 PolarHBondContact O-N 2.84Å; L471-V650 CarbonylContact C-O 3.58Å; L471-V650 WeakPolarHBondContact CA-O 3.39Å; L471-V650 HydrophobicContact CD1-CB 4.01Å; L471-V650 HydrophobicContact CD1-CG1 3.93Å; H472-V650 PolarHBondContact N-O 2.95Å; T620-V650 HydrophobicContact CG2-CG1 4.15Å; A643-V650 HydrophobicContact CB-CG2 3.4Å; A643-V650 VanDerWaalsContact CB-CG2 3.4Å
651	A	98.9	Very high	98	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	112.8	160.1	0	0	0	0	0	108.5	L219 H472 M486 V618 A619 T620 F653	L219-A651 HydrophobicContact CD1-CB 3.84Å; H472-A651 CarbonylContact O-C 3.3Å; H472-A651 WeakPolarHBondContact O-CA 3.37Å; M486-A651 HydrophobicContact CE-CB 4.08Å; M486-A651 HydrophobicContact SD-CB 3.67Å; V618-A651 PolarHBondContact O-N 2.89Å; A619-A651 WeakPolarHBondContact CA-O 3.49Å; T620-A651 PolarHBondContact N-O 2.89Å; A651-F653 HydrophobicContact CB-CE2 4.19Å
652	Y	98.9	Very high	98	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.8	-174.3	-163.9	-73.8	0	0	0	111.1	H472 I473 T474 T620 G621 N622 A636 T654	H472-Y652 PolarHBondContact O-N 2.95Å; I473-Y652 WeakPolarHBondContact CA-O 3.35Å; I473-Y652 HydrophobicContact CD1-CD1 3.81Å; I473-Y652 HydrophobicContact CD1-CG 4.19Å; I473-Y652 HydrophobicContact CG1-CD1 4.06Å; I473-Y652 HydrophobicContact CG1-CG 4.39Å; I473-Y652 WeakPolarHBondContact CG1-O 3.41Å; T474-Y652 PolarHBondContact N-O 3.25Å; T620-Y652 HydrophobicContact CG2-CD2 3.98Å; T620-Y652 HydrophobicContact CG2-CE2 4.46Å; T620-Y652 CarbonylContact O-C 3.59Å; T620-Y652 WeakPolarHBondContact O-CA 3.07Å; G621-Y652 VanDerWaalsContact C-OH 3.26Å; G621-Y652 WeakPolarHBondContact O-CE2 3.36Å; G621-Y652 PolarHBondContact O-OH 3.13Å; N622-Y652 PolarHBondContact N-OH 2.88Å; N622-Y652 WeakPolarHBondContact OD1-CE1 3.44Å; N622-Y652 PolarHBondContact OD1-OH 2.98Å; A636-Y652 HydrophobicContact CB-CE2 3.88Å; Y652-T654 HydrophobicContact CD1-CG2 3.9Å; Y652-T654 HydrophobicContact CE1-CG2 3.99Å
653	F	98.8	Very high	98	Very high	1 Å²	1	26.8 Å²	26.8	0%	0.004	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	118.3	178.8	-61.8	-89.7	0	0	0	109.6	I216 T474 T478 I479 D482 A619 T620 G621 A651 F655	I216-F653 HydrophobicContact CD1-CZ 4.22Å; T474-F653 HydrophobicContact CG2-CD1 3.37Å; T474-F653 HydrophobicContact CG2-CE1 3.53Å; T474-F653 HydrophobicContact CG2-CG 4.16Å; T474-F653 HydrophobicContact CG2-CZ 4.42Å; T478-F653 WeakPolarHBondContact O-CZ 3.48Å; I479-F653 HydrophobicContact CG1-CD2 3.8Å; I479-F653 HydrophobicContact CG1-CE2 4.44Å; I479-F653 HydrophobicContact CG1-CG 4.42Å; D482-F653 HydrophobicContact CB-CE1 3.68Å; D482-F653 HydrophobicContact CB-CZ 3.76Å; A619-F653 HydrophobicContact CB-CE2 4.21Å; T620-F653 WeakPolarHBondContact O-CD2 3.26Å; T620-F653 PolarHBondContact O-N 3.31Å; G621-F653 VanDerWaalsContact CA-O 3.25Å; G621-F653 WeakPolarHBondContact CA-O 3.38Å; A651-F653 HydrophobicContact CB-CE2 4.19Å; F653-F655 HydrophobicContact CB-CD1 4.32Å; F653-F655 HydrophobicContact CB-CE1 3.85Å; F653-F655 HydrophobicContact CB-CZ 3.95Å; F653-F655 WeakPolarHBondContact O-CD2 3.45Å; F653-F655 VanDerWaalsContact O-CE2 3.29Å; F653-F655 WeakPolarHBondContact O-CE2 3.4Å
654	T	98.5	Very high	98	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.012	15%	0.154	C	C	.	.			trans	-90.3	-7.3	-178.7	73.6	0	0	0	0	113.8	I473 T474 C475 N622 Y652 D657 L660 M661	I473-T654 HydrophobicContact CD1-CG2 3.89Å; I473-T654 HydrophobicContact CG1-CG2 3.9Å; T474-T654 PolarHBondContact O-N 2.87Å; T474-T654 PolarHBondContact O-OG1 2.76Å; C475-T654 WeakPolarHBondContact CA-OG1 3.21Å; N622-T654 PolarHBondContact ND2-O 2.83Å; N622-T654 VanDerWaalsContact ND2-O 3.15Å; Y652-T654 HydrophobicContact CD1-CG2 3.9Å; Y652-T654 HydrophobicContact CE1-CG2 3.99Å; T654-D657 WeakPolarHBondContact CB-O 3.46Å; T654-D657 PolarHBondContact OG1-N 2.93Å; T654-D657 PolarHBondContact OG1-O 2.93Å; T654-L660 HydrophobicContact CG2-CB 4.33Å; T654-L660 HydrophobicContact CG2-CD2 4.15Å; T654-L660 HydrophobicContact CG2-CG 4.12Å; T654-M661 HydrophobicContact CG2-CB 3.99Å
655	F	96.9	Very high	98	Very high	96 Å²	96	28.1 Å²	28.1	42%	0.421	16%	0.16	S	C	.	.	S	Bend	trans	58.7	54.6	175.8	-48.4	-69.7	0	0	0	113.9	I479 F491 F653	I479-F655 HydrophobicContact CD1-CZ 3.92Å; I479-F655 HydrophobicContact CG1-CZ 4.2Å; F491-F655 HydrophobicContact CE2-CE2 4.02Å; F491-F655 HydrophobicContact CE2-CZ 4.32Å; F491-F655 HydrophobicContact CZ-CE2 4.29Å; F491-F655 HydrophobicContact CZ-CZ 4.46Å; F653-F655 HydrophobicContact CB-CD1 4.32Å; F653-F655 HydrophobicContact CB-CE1 3.85Å; F653-F655 HydrophobicContact CB-CZ 3.95Å; F653-F655 WeakPolarHBondContact O-CD2 3.45Å; F653-F655 VanDerWaalsContact O-CE2 3.29Å; F653-F655 WeakPolarHBondContact O-CE2 3.4Å
656	G	96.7	Very high	98.1	Very high	52 Å²	52	29.7 Å²	29.7	54%	0.536	17%	0.169	S	C	.	.	S	Bend	trans	92.1	-6.9	178.1	0	0	0	0	0	115	C475 N658	C475-G656 WeakPolarHBondContact O-CA 3.37Å; C475-G656 PolarHBondContact O-N 3.47Å; G656-N658 PolarHBondContact O-N 3.32Å
657	D	97.7	Very high	98.2	Very high	66 Å²	66	29.2 Å²	29.2	35%	0.353	17%	0.165	S	C	.	.			trans	-86	89.3	179.2	-166.8	-19	0	0	0	111.5	T654 Q659 L660 M661	T654-D657 WeakPolarHBondContact CB-O 3.46Å; T654-D657 PolarHBondContact OG1-N 2.93Å; T654-D657 PolarHBondContact OG1-O 2.93Å; D657-Q659 VanDerWaalsContact C-N 3.31Å; D657-Q659 PolarHBondContact O-N 3.38Å; D657-Q659 PolarHBondContact OD1-N 3.05Å; D657-Q659 VanDerWaalsContact OD1-N 3.1Å; D657-L660 HydrophobicContact CB-CB 3.91Å; D657-L660 PolarHBondContact OD1-N 3.41Å; D657-L660 WeakPolarHBondContact OD2-CB 3.43Å; D657-M661 PolarHBondContact O-N 3.2Å; D657-M661 VanDerWaalsContact O-N 3.13Å
658	N	97.3	Very high	98.3	Very high	84 Å²	84	29 Å²	29	45%	0.449	16%	0.158	S	C	.	.	H	α-helix	trans	-59.5	-37.6	174.5	-74.1	-67.3	0	0	0	113	C475 G656 M661 T662	C475-N658 PolarHBondContact SG-OD1 2.93Å; G656-N658 PolarHBondContact O-N 3.32Å; N658-M661 WeakPolarHBondContact O-CB 3.19Å; N658-M661 PolarHBondContact O-N 2.63Å; N658-T662 PolarHBondContact O-N 2.89Å; N658-T662 VanDerWaalsContact O-N 3.11Å; N658-T662 PolarHBondContact O-OG1 2.86Å
659	Q	97.8	Very high	98.4	Very high	108 Å²	108	29.8 Å²	29.8	51%	0.505	16%	0.164	S	C	.	.	H	α-helix	trans	-71	-42	-177.5	-171.8	66.6	62.4	0	0	110.5	D657 M661 T662 D663	D657-Q659 VanDerWaalsContact C-N 3.31Å; D657-Q659 PolarHBondContact O-N 3.38Å; D657-Q659 PolarHBondContact OD1-N 3.05Å; D657-Q659 VanDerWaalsContact OD1-N 3.1Å; Q659-M661 VanDerWaalsContact C-N 3.29Å; Q659-M661 PolarHBondContact O-N 2.8Å; Q659-T662 PolarHBondContact O-N 3.31Å; Q659-D663 PolarHBondContact NE2-OD1 2.97Å; Q659-D663 WeakPolarHBondContact O-CB 3.37Å; Q659-D663 PolarHBondContact O-N 2.91Å; Q659-D663 VanDerWaalsContact O-OD1 3.09Å
660	L	98.4	Very high	98.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-62.4	-37.3	174.1	-177.2	65.1	0	0	0	112	N622 T632 R633 T654 D657 V664	N622-L660 WeakPolarHBondContact OD1-CD2 3.36Å; T632-L660 HydrophobicContact CG2-CD2 3.96Å; T632-L660 WeakPolarHBondContact OG1-CD1 3.47Å; R633-L660 HydrophobicContact CG-CD1 3.81Å; T654-L660 HydrophobicContact CG2-CB 4.33Å; T654-L660 HydrophobicContact CG2-CD2 4.15Å; T654-L660 HydrophobicContact CG2-CG 4.12Å; D657-L660 HydrophobicContact CB-CB 3.91Å; D657-L660 PolarHBondContact OD1-N 3.41Å; D657-L660 WeakPolarHBondContact OD2-CB 3.43Å; L660-V664 HydrophobicContact CD1-CG2 3.66Å; L660-V664 HydrophobicContact CG-CG2 4.13Å; L660-V664 WeakPolarHBondContact O-CB 3.37Å; L660-V664 VanDerWaalsContact O-CG2 3.23Å; L660-V664 WeakPolarHBondContact O-CG2 3.48Å; L660-V664 PolarHBondContact O-N 3.45Å
661	M	98.6	Very high	98.3	Very high	4 Å²	4	30.7 Å²	30.7	2%	0.02	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-50.3	176.1	174.4	-170.4	73.7	0	0	110.9	T210 L212 I473 C475 T654 D657 N658 Q659 H665	T210-M661 VanDerWaalsContact C-SD 3.56Å; L212-M661 HydrophobicContact CD1-CE 4.24Å; L212-M661 HydrophobicContact CD1-CG 4.22Å; L212-M661 HydrophobicContact CG-CE 4.31Å; L212-M661 HydrophobicContact CG-CG 4.46Å; I473-M661 HydrophobicContact CG1-CB 4.39Å; I473-M661 HydrophobicContact CG1-CG 4.1Å; I473-M661 HydrophobicContact CG2-CG 4.15Å; C475-M661 HydrophobicContact CB-SD 4.03Å; C475-M661 PolarHBondContact N-SD 3.49Å; T654-M661 HydrophobicContact CG2-CB 3.99Å; D657-M661 PolarHBondContact O-N 3.2Å; D657-M661 VanDerWaalsContact O-N 3.13Å; N658-M661 WeakPolarHBondContact O-CB 3.19Å; N658-M661 PolarHBondContact O-N 2.63Å; Q659-M661 VanDerWaalsContact C-N 3.29Å; Q659-M661 PolarHBondContact O-N 2.8Å; M661-H665 VanDerWaalsContact O-CB 3.23Å; M661-H665 WeakPolarHBondContact O-CB 3.48Å; M661-H665 PolarHBondContact O-N 3.33Å; M661-H665 VanDerWaalsContact O-N 3.08Å
662	T	98.4	Very high	98.3	Very high	19 Å²	19	32.9 Å²	32.9	12%	0.117	18%	0.181	C	C	.	.	H	α-helix	trans	-62.7	-51.8	176.3	-60.3	0	0	0	0	111.6	T205 N658 Q659 V664 H665 D666	T205-T662 HydrophobicContact CG2-CG2 4.45Å; N658-T662 PolarHBondContact O-N 2.89Å; N658-T662 VanDerWaalsContact O-N 3.11Å; N658-T662 PolarHBondContact O-OG1 2.86Å; Q659-T662 PolarHBondContact O-N 3.31Å; T662-V664 VanDerWaalsContact C-N 3.34Å; T662-V664 PolarHBondContact O-N 3.05Å; T662-H665 PolarHBondContact O-N 3.21Å; T662-D666 WeakPolarHBondContact CG2-OD2 3.5Å; T662-D666 WeakPolarHBondContact O-CB 3.35Å; T662-D666 VanDerWaalsContact O-CG 3.25Å; T662-D666 PolarHBondContact O-N 2.7Å
663	D	98.6	Very high	98.3	Very high	38 Å²	38	39.6 Å²	39.6	20%	0.203	21%	0.213	C	C	.	.	H	α-helix	trans	-58.2	-43.7	-176.3	-72.1	13.6	0	0	0	112.8	R633 Q659 M667 Y706	R633-D663 IonicContact CZ-OD2 2.67Å; R633-D663 IonicContact NE-OD2 3.85Å; R633-D663 PolarHBondContact NE-OD2 3.17Å; R633-D663 IonicContact NH2-OD2 3.22Å; R633-D663 PolarHBondContact NH2-OD2 2.9Å; Q659-D663 PolarHBondContact NE2-OD1 2.97Å; Q659-D663 WeakPolarHBondContact O-CB 3.37Å; Q659-D663 PolarHBondContact O-N 2.91Å; Q659-D663 VanDerWaalsContact O-OD1 3.09Å; D663-M667 WeakPolarHBondContact O-CB 3.23Å; D663-M667 PolarHBondContact O-N 3.11Å; D663-M667 VanDerWaalsContact O-N 3.08Å; D663-Y706 HydrophobicContact CB-CD2 4.29Å; D663-Y706 HydrophobicContact CB-CE2 4.26Å; D663-Y706 VanDerWaalsContact O-CE2 3.3Å; D663-Y706 WeakPolarHBondContact O-CE2 3.32Å
664	V	98.8	Very high	98.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-72.9	-38.6	-179.4	173.4	0	0	0	0	111	L471 I473 A636 M640 L660 T662 H668 Y706	L471-V664 HydrophobicContact CD2-CG1 4.25Å; I473-V664 HydrophobicContact CD1-CB 3.58Å; I473-V664 HydrophobicContact CD1-CG1 3.57Å; I473-V664 HydrophobicContact CD1-CG2 4.38Å; A636-V664 HydrophobicContact CB-CB 4.48Å; A636-V664 HydrophobicContact CB-CG1 3.81Å; A636-V664 HydrophobicContact CB-CG2 3.73Å; M640-V664 HydrophobicContact CE-CG1 4.15Å; M640-V664 HydrophobicContact SD-CG1 4.44Å; L660-V664 HydrophobicContact CD1-CG2 3.66Å; L660-V664 HydrophobicContact CG-CG2 4.13Å; L660-V664 WeakPolarHBondContact O-CB 3.37Å; L660-V664 VanDerWaalsContact O-CG2 3.23Å; L660-V664 WeakPolarHBondContact O-CG2 3.48Å; L660-V664 PolarHBondContact O-N 3.45Å; T662-V664 VanDerWaalsContact C-N 3.34Å; T662-V664 PolarHBondContact O-N 3.05Å; V664-H668 WeakPolarHBondContact O-CB 3.42Å; V664-H668 PolarHBondContact O-N 3.02Å; V664-Y706 HydrophobicContact CG2-CE2 4.29Å
665	H	98.8	Very high	98.2	Very high	34 Å²	34	48.1 Å²	48.1	16%	0.157	25%	0.253	C	S	.	.	H	α-helix	trans	-60.5	-46.2	173	172.7	-94.3	0	0	0	112.1	L212 G213 I473 M661 T662 H668 S669	L212-H665 HydrophobicContact CB-CB 3.98Å; L212-H665 VanDerWaalsContact CB-CD2 3.41Å; L212-H665 WeakPolarHBondContact CB-CD2 3.4Å; L212-H665 HydrophobicContact CD1-CB 3.71Å; G213-H665 PolarHBondContact N-CD2 3.31Å; G213-H665 VanDerWaalsContact N-CD2 3.34Å; G213-H665 PolarHBondContact N-NE2 3.39Å; I473-H665 HydrophobicContact CG2-CB 3.85Å; M661-H665 VanDerWaalsContact O-CB 3.23Å; M661-H665 WeakPolarHBondContact O-CB 3.48Å; M661-H665 PolarHBondContact O-N 3.33Å; M661-H665 VanDerWaalsContact O-N 3.08Å; T662-H665 PolarHBondContact O-N 3.21Å; H665-H668 PolarHBondContact O-N 3.44Å; H665-S669 PolarHBondContact CE1-OG 3.09Å; H665-S669 VanDerWaalsContact CE1-OG 3.32Å; H665-S669 VanDerWaalsContact O-CB 3.31Å; H665-S669 WeakPolarHBondContact O-CB 3.15Å; H665-S669 PolarHBondContact O-N 3.46Å; H665-S669 PolarHBondContact O-OG 3.3Å
666	D	98.7	Very high	98.2	Very high	72 Å²	72	44.5 Å²	44.5	39%	0.385	24%	0.238	S	C	.	.	H	α-helix	trans	-70.9	-36.4	-175.2	-68.2	-3.6	0	0	0	110.8	T662 S669 F670 Y710	T662-D666 WeakPolarHBondContact CG2-OD2 3.5Å; T662-D666 WeakPolarHBondContact O-CB 3.35Å; T662-D666 VanDerWaalsContact O-CG 3.25Å; T662-D666 PolarHBondContact O-N 2.7Å; D666-S669 PolarHBondContact O-N 2.96Å; D666-F670 WeakPolarHBondContact O-CB 3.42Å; D666-F670 PolarHBondContact O-N 3.32Å; D666-Y710 VanDerWaalsContact C-OH 3.29Å
667	M	98.8	Very high	98.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-45.9	171.3	-179.4	52.2	61.1	0	0	112	L637 D663 S669 F670 L671 Y706 I709 Y710	L637-M667 HydrophobicContact CD2-CG 4.11Å; D663-M667 WeakPolarHBondContact O-CB 3.23Å; D663-M667 PolarHBondContact O-N 3.11Å; D663-M667 VanDerWaalsContact O-N 3.08Å; M667-S669 VanDerWaalsContact C-N 3.34Å; M667-S669 PolarHBondContact O-N 3.38Å; M667-F670 PolarHBondContact O-N 2.94Å; M667-F670 HydrophobicContact SD-CD1 4.39Å; M667-L671 HydrophobicContact CG-CD1 4.05Å; M667-L671 VanDerWaalsContact O-CG 3.3Å; M667-L671 WeakPolarHBondContact O-CG 3.21Å; M667-L671 PolarHBondContact O-N 3.46Å; M667-L671 HydrophobicContact SD-CD1 3.78Å; M667-L671 HydrophobicContact SD-CD2 4.35Å; M667-L671 HydrophobicContact SD-CG 3.85Å; M667-Y706 HydrophobicContact CB-CD2 3.81Å; M667-Y706 HydrophobicContact CB-CE1 4.44Å; M667-Y706 HydrophobicContact CB-CE2 3.57Å; M667-Y706 HydrophobicContact CB-CG 4.35Å; M667-Y706 HydrophobicContact CE-CD1 4.03Å; M667-Y706 HydrophobicContact CE-CD2 4.16Å; M667-Y706 HydrophobicContact CE-CG 3.69Å; M667-Y706 HydrophobicContact CG-CD1 4.14Å; M667-Y706 HydrophobicContact CG-CD2 4.19Å; M667-Y706 HydrophobicContact CG-CE1 3.95Å; M667-Y706 HydrophobicContact CG-CE2 3.99Å; M667-Y706 HydrophobicContact CG-CG 4.27Å; M667-I709 HydrophobicContact CE-CB 3.93Å; M667-I709 HydrophobicContact CE-CG2 3.83Å; M667-I709 HydrophobicContact SD-CB 4.26Å; M667-I709 HydrophobicContact SD-CD1 4.45Å; M667-I709 HydrophobicContact SD-CG2 3.59Å; M667-I709 VanDerWaalsContact SD-CG2 3.59Å; M667-Y710 HydrophobicContact CE-CD1 4.11Å; M667-Y710 HydrophobicContact CE-CD2 3.94Å; M667-Y710 HydrophobicContact CE-CE1 3.82Å; M667-Y710 HydrophobicContact CE-CE2 3.64Å; M667-Y710 HydrophobicContact CE-CG 4.16Å; M667-Y710 PolarHBondContact N-OH 3.49Å
668	H	98.8	Very high	98.4	Very high	19 Å²	19	39.6 Å²	39.6	9%	0.088	20%	0.2	C	C	.	.	H	α-helix	trans	-59.7	-44.8	175.3	174.4	-88.5	0	0	0	111.7	T469 L471 M640 V664 H665 L671 T672	T469-H668 PolarHBondContact O-NE2 3.46Å; L471-H668 HydrophobicContact CD2-CB 3.71Å; M640-H668 HydrophobicContact CE-CB 4.36Å; M640-H668 HydrophobicContact SD-CB 4.1Å; V664-H668 WeakPolarHBondContact O-CB 3.42Å; V664-H668 PolarHBondContact O-N 3.02Å; H665-H668 PolarHBondContact O-N 3.44Å; H668-L671 PolarHBondContact O-N 2.85Å; H668-T672 WeakPolarHBondContact O-CB 3.31Å; H668-T672 WeakPolarHBondContact O-CG2 3.36Å; H668-T672 PolarHBondContact O-N 3.47Å; H668-T672 PolarHBondContact O-OG1 3.3Å
669	S	98.6	Very high	98.4	Very high	21 Å²	21	35.8 Å²	35.8	15%	0.147	18%	0.18	C	C	.	.	H	α-helix	trans	-62.2	-43.9	177.1	-63	0	0	0	0	112	H665 D666 M667 T672 Q673	H665-S669 PolarHBondContact CE1-OG 3.09Å; H665-S669 VanDerWaalsContact CE1-OG 3.32Å; H665-S669 VanDerWaalsContact O-CB 3.31Å; H665-S669 WeakPolarHBondContact O-CB 3.15Å; H665-S669 PolarHBondContact O-N 3.46Å; H665-S669 PolarHBondContact O-OG 3.3Å; D666-S669 PolarHBondContact O-N 2.96Å; M667-S669 VanDerWaalsContact C-N 3.34Å; M667-S669 PolarHBondContact O-N 3.38Å; S669-T672 WeakPolarHBondContact CA-OG1 3.34Å; S669-T672 PolarHBondContact O-OG1 3.39Å; S669-Q673 VanDerWaalsContact O-CB 3.27Å; S669-Q673 WeakPolarHBondContact O-CB 3.32Å; S669-Q673 WeakPolarHBondContact O-CG 3.35Å; S669-Q673 PolarHBondContact O-N 3.43Å
670	F	98.7	Very high	98.5	Very high	27 Å²	27	35.2 Å²	35.2	12%	0.118	18%	0.178	C	C	.	.	H	α-helix	trans	-63.6	-44.5	179.7	173.3	-98.5	0	0	0	112.7	D666 M667 R674 I709 Y710 V713	D666-F670 WeakPolarHBondContact O-CB 3.42Å; D666-F670 PolarHBondContact O-N 3.32Å; M667-F670 PolarHBondContact O-N 2.94Å; M667-F670 HydrophobicContact SD-CD1 4.39Å; F670-R674 VanDerWaalsContact CE2-CZ 3.47Å; F670-R674 VanDerWaalsContact CE2-NH1 3.3Å; F670-I709 HydrophobicContact CE1-CG2 4.45Å; F670-Y710 HydrophobicContact CB-CD1 4.41Å; F670-Y710 HydrophobicContact CB-CE1 3.7Å; F670-Y710 AromaticContact CD1-CD1 3.71Å; F670-Y710 HydrophobicContact CD1-CD1 3.71Å; F670-Y710 AromaticContact CD1-CE1 3.79Å; F670-Y710 HydrophobicContact CD1-CE1 3.79Å; F670-Y710 AromaticContact CD2-CD1 3.79Å; F670-Y710 HydrophobicContact CD2-CD1 3.79Å; F670-Y710 AromaticContact CD2-CE1 3.84Å; F670-Y710 HydrophobicContact CD2-CE1 3.84Å; F670-Y710 AromaticContact CE1-CD1 3.8Å; F670-Y710 HydrophobicContact CE1-CD1 3.8Å; F670-Y710 HydrophobicContact CE1-CE1 4.36Å; F670-Y710 AromaticContact CE2-CD1 3.88Å; F670-Y710 HydrophobicContact CE2-CD1 3.88Å; F670-Y710 HydrophobicContact CE2-CE1 4.41Å; F670-Y710 AromaticContact CG-CD1 3.71Å; F670-Y710 HydrophobicContact CG-CD1 3.71Å; F670-Y710 AromaticContact CG-CE1 3.51Å; F670-Y710 HydrophobicContact CG-CE1 3.51Å; F670-Y710 AromaticContact CZ-CD1 3.89Å; F670-Y710 HydrophobicContact CZ-CD1 3.89Å; F670-V713 HydrophobicContact CE1-CB 3.68Å; F670-V713 HydrophobicContact CE1-CG1 3.71Å; F670-V713 HydrophobicContact CE1-CG2 4.3Å; F670-V713 HydrophobicContact CZ-CB 3.74Å; F670-V713 HydrophobicContact CZ-CG1 3.68Å
671	L	98.6	Very high	98.5	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.178	C	C	.	.	H	α-helix	trans	-68.8	-44.1	178.1	-66.5	172.1	0	0	0	111.9	L468 L637 M667 H668 R674 N675 I676 V681 I709	L468-L671 HydrophobicContact CD1-CB 4.03Å; L468-L671 HydrophobicContact CD1-CD1 4.03Å; L637-L671 HydrophobicContact CD2-CD1 3.88Å; M667-L671 HydrophobicContact CG-CD1 4.05Å; M667-L671 VanDerWaalsContact O-CG 3.3Å; M667-L671 WeakPolarHBondContact O-CG 3.21Å; M667-L671 PolarHBondContact O-N 3.46Å; M667-L671 HydrophobicContact SD-CD1 3.78Å; M667-L671 HydrophobicContact SD-CD2 4.35Å; M667-L671 HydrophobicContact SD-CG 3.85Å; H668-L671 PolarHBondContact O-N 2.85Å; L671-R674 PolarHBondContact O-N 2.91Å; L671-N675 PolarHBondContact O-N 2.93Å; L671-I676 HydrophobicContact CB-CB 4.4Å; L671-I676 HydrophobicContact CD2-CB 4.02Å; L671-I676 HydrophobicContact CD2-CG1 4Å; L671-I676 HydrophobicContact CD2-CG2 4.1Å; L671-I676 PolarHBondContact O-N 2.9Å; L671-V681 HydrophobicContact CD1-CG1 4.49Å; L671-V681 HydrophobicContact CD1-CG2 3.92Å; L671-V681 HydrophobicContact CD2-CG2 4.06Å; L671-I709 HydrophobicContact CD2-CG2 4.07Å
672	T	98.3	Very high	98.5	Very high	46 Å²	46	36.5 Å²	36.5	28%	0.282	18%	0.182	S	C	.	.	H	α-helix	trans	-68.5	-40.7	-179.7	49.2	0	0	0	0	113	L468 H668 S669 R674 N675	L468-T672 HydrophobicContact CB-CG2 3.82Å; H668-T672 WeakPolarHBondContact O-CB 3.31Å; H668-T672 WeakPolarHBondContact O-CG2 3.36Å; H668-T672 PolarHBondContact O-N 3.47Å; H668-T672 PolarHBondContact O-OG1 3.3Å; S669-T672 WeakPolarHBondContact CA-OG1 3.34Å; S669-T672 PolarHBondContact O-OG1 3.39Å; T672-R674 PolarHBondContact O-N 2.96Å; T672-N675 PolarHBondContact O-N 2.86Å; T672-N675 VanDerWaalsContact O-N 3.1Å
673	Q	97.8	Very high	98.5	Very high	142 Å²	142	39 Å²	39	66%	0.664	20%	0.195	S	C	*	.	H	α-helix	trans	-62.4	-26.7	177.1	-73.7	168.2	20.3	0	0	113.2	S669	S669-Q673 VanDerWaalsContact O-CB 3.27Å; S669-Q673 WeakPolarHBondContact O-CB 3.32Å; S669-Q673 WeakPolarHBondContact O-CG 3.35Å; S669-Q673 PolarHBondContact O-N 3.43Å
674	R	97.8	Very high	98.5	Very high	74 Å²	74	37.8 Å²	37.8	28%	0.279	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-0.5	177.9	-71.1	177.7	168.4	62.1	14.3	113.9	F670 L671 T672 I676 E717	F670-R674 VanDerWaalsContact CE2-CZ 3.47Å; F670-R674 VanDerWaalsContact CE2-NH1 3.3Å; L671-R674 PolarHBondContact O-N 2.91Å; T672-R674 PolarHBondContact O-N 2.96Å; R674-I676 HydrophobicContact CB-CD1 3.83Å; R674-I676 HydrophobicContact CB-CG1 3.81Å; R674-I676 PolarHBondContact O-N 3.46Å; R674-E717 WeakPolarHBondContact CG-OE1 3.42Å; R674-E717 IonicContact CZ-OE1 3.68Å; R674-E717 IonicContact CZ-OE2 3.86Å; R674-E717 IonicContact NE-OE1 3.13Å; R674-E717 PolarHBondContact NE-OE1 3.01Å; R674-E717 VanDerWaalsContact NE-OE1 3.16Å; R674-E717 IonicContact NE-OE2 3.76Å; R674-E717 PolarHBondContact NE-OE2 3Å; R674-E717 IonicContact NH2-OE1 2.82Å; R674-E717 IonicContact NH2-OE2 3.88Å; R674-E717 PolarHBondContact NH2-OE2 3.29Å
675	N	97.6	Very high	98.5	Very high	108 Å²	108	37.9 Å²	37.9	58%	0.578	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.4	34.9	-174.5	-50.3	-77.1	0	0	0	113.5	L467 L671 T672 S677	L467-N675 HydrophobicContact CD1-CB 4.44Å; L467-N675 HydrophobicContact CD2-CB 4.32Å; L467-N675 VanDerWaalsContact CD2-O 3.27Å; L467-N675 WeakPolarHBondContact CD2-O 3.24Å; L671-N675 PolarHBondContact O-N 2.93Å; T672-N675 PolarHBondContact O-N 2.86Å; T672-N675 VanDerWaalsContact O-N 3.1Å; N675-S677 PolarHBondContact O-N 2.92Å
676	I	98.4	Very high	98.5	Very high	20 Å²	20	37.3 Å²	37.3	10%	0.103	19%	0.192	C	C	.	.			trans	-67.8	124.5	176	-50	-57.7	0	0	0	109	L671 R674 E680 V681 V713	L671-I676 HydrophobicContact CB-CB 4.4Å; L671-I676 HydrophobicContact CD2-CB 4.02Å; L671-I676 HydrophobicContact CD2-CG1 4Å; L671-I676 HydrophobicContact CD2-CG2 4.1Å; L671-I676 PolarHBondContact O-N 2.9Å; R674-I676 HydrophobicContact CB-CD1 3.83Å; R674-I676 HydrophobicContact CB-CG1 3.81Å; R674-I676 PolarHBondContact O-N 3.46Å; I676-E680 HydrophobicContact CG2-CB 3.53Å; I676-V681 HydrophobicContact CG2-CG2 3.76Å; I676-V713 HydrophobicContact CD1-CG1 4.02Å; I676-V713 HydrophobicContact CG1-CG1 4.36Å
677	S	98.6	Very high	98.4	Very high	15 Å²	15	37.7 Å²	37.7	11%	0.105	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-77.1	164.5	-179.4	64.5	0	0	0	0	113.4	T466 N675 G679 E680 V681	T466-S677 CarbonylContact O-C 3.52Å; T466-S677 WeakPolarHBondContact O-CA 3.21Å; N675-S677 PolarHBondContact O-N 2.92Å; S677-G679 PolarHBondContact O-N 3.32Å; S677-E680 VanDerWaalsContact CB-OE2 3.28Å; S677-E680 WeakPolarHBondContact CB-OE2 3.43Å; S677-E680 PolarHBondContact N-OE2 3.34Å; S677-E680 PolarHBondContact O-N 3.2Å; S677-E680 WeakPolarHBondContact OG-CG 3.44Å; S677-E680 PolarHBondContact OG-N 3.32Å; S677-E680 PolarHBondContact OG-OE2 2.98Å; S677-V681 WeakPolarHBondContact O-CG2 3.44Å; S677-V681 PolarHBondContact O-N 2.94Å
678	V	98.8	Very high	98.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-55	-40.5	174.1	165.5	0	0	0	0	111	W461 T466 L641 A644 E645 Y682	W461-V678 HydrophobicContact CE3-CG1 3.84Å; W461-V678 HydrophobicContact CZ3-CG1 4.18Å; T466-V678 HydrophobicContact CG2-CG2 4.23Å; T466-V678 WeakPolarHBondContact O-CG2 3.42Å; T466-V678 PolarHBondContact O-N 2.9Å; L641-V678 HydrophobicContact CB-CG1 4.41Å; L641-V678 HydrophobicContact CD2-CB 4.13Å; L641-V678 HydrophobicContact CD2-CG1 4.06Å; L641-V678 HydrophobicContact CD2-CG2 3.94Å; A644-V678 HydrophobicContact CB-CG2 4.02Å; E645-V678 HydrophobicContact CG-CG1 4.1Å; V678-Y682 WeakPolarHBondContact O-CB 3.32Å; V678-Y682 PolarHBondContact O-N 2.98Å
679	G	98.6	Very high	98.4	Very high	3 Å²	3	38.9 Å²	38.9	3%	0.031	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-46.5	176.4	0	0	0	0	0	113.5	W461 S464 S677 V681 Y682 D683	W461-G679 WeakPolarHBondContact O-CA 3.46Å; S464-G679 PolarHBondContact O-N 3.49Å; S677-G679 PolarHBondContact O-N 3.32Å; G679-V681 PolarHBondContact O-N 3.44Å; G679-Y682 WeakPolarHBondContact O-CB 3.31Å; G679-Y682 PolarHBondContact O-N 3.46Å; G679-Y682 VanDerWaalsContact O-N 3.17Å; G679-D683 PolarHBondContact O-N 3.38Å
680	E	98.6	Very high	98.3	Very high	96 Å²	96	41 Å²	41	45%	0.449	21%	0.211	S	C	.	.	H	α-helix	trans	-63.8	-39	177.3	-70.2	163.3	113.5	0	0	112.3	I676 S677 D683 L684	I676-E680 HydrophobicContact CG2-CB 3.53Å; S677-E680 VanDerWaalsContact CB-OE2 3.28Å; S677-E680 WeakPolarHBondContact CB-OE2 3.43Å; S677-E680 PolarHBondContact N-OE2 3.34Å; S677-E680 PolarHBondContact O-N 3.2Å; S677-E680 WeakPolarHBondContact OG-CG 3.44Å; S677-E680 PolarHBondContact OG-N 3.32Å; S677-E680 PolarHBondContact OG-OE2 2.98Å; E680-D683 PolarHBondContact O-N 3.04Å; E680-L684 VanDerWaalsContact O-CG 3.27Å; E680-L684 WeakPolarHBondContact O-CG 3.4Å; E680-L684 PolarHBondContact O-N 2.87Å
681	V	98.6	Very high	98.2	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-42.6	173	-178	0	0	0	0	111	L637 L641 L671 I676 S677 G679 D683 L684 L685	L637-V681 HydrophobicContact CD2-CG1 4.31Å; L641-V681 HydrophobicContact CD1-CB 4.47Å; L641-V681 HydrophobicContact CD1-CG1 3.98Å; L641-V681 HydrophobicContact CD2-CB 3.76Å; L641-V681 HydrophobicContact CD2-CG1 3.89Å; L641-V681 HydrophobicContact CD2-CG2 4.28Å; L641-V681 HydrophobicContact CG-CG1 4.38Å; L671-V681 HydrophobicContact CD1-CG1 4.49Å; L671-V681 HydrophobicContact CD1-CG2 3.92Å; L671-V681 HydrophobicContact CD2-CG2 4.06Å; I676-V681 HydrophobicContact CG2-CG2 3.76Å; S677-V681 WeakPolarHBondContact O-CG2 3.44Å; S677-V681 PolarHBondContact O-N 2.94Å; G679-V681 PolarHBondContact O-N 3.44Å; V681-D683 VanDerWaalsContact C-N 3.34Å; V681-D683 PolarHBondContact O-N 2.97Å; V681-L684 WeakPolarHBondContact O-CB 3.26Å; V681-L684 PolarHBondContact O-N 3.44Å; V681-L685 WeakPolarHBondContact O-CG 3.23Å; V681-L685 PolarHBondContact O-N 2.7Å
682	Y	98.7	Very high	98.2	Very high	31 Å²	31	45.4 Å²	45.4	12%	0.122	24%	0.244	C	C	.	.	H	α-helix	trans	-59.1	-44.8	176.6	173.6	-86.8	0	0	0	111.6	W461 T462 I594 N595 L598 V678 G679 L684 L685 G686	W461-Y682 HydrophobicContact CB-CD1 4.36Å; W461-Y682 HydrophobicContact CB-CD2 3.63Å; W461-Y682 HydrophobicContact CB-CE2 3.92Å; W461-Y682 HydrophobicContact CB-CG 3.87Å; W461-Y682 HydrophobicContact CG-CD2 4.3Å; W461-Y682 HydrophobicContact CG-CE2 4.45Å; T462-Y682 HydrophobicContact CG2-CD1 3.8Å; T462-Y682 HydrophobicContact CG2-CE1 3.43Å; T462-Y682 VanDerWaalsContact CG2-CE1 3.43Å; I594-Y682 HydrophobicContact CG2-CE2 4.34Å; N595-Y682 PolarHBondContact ND2-OH 3.45Å; N595-Y682 WeakPolarHBondContact OD1-CE2 3.4Å; N595-Y682 PolarHBondContact OD1-OH 3.05Å; L598-Y682 HydrophobicContact CD1-CD2 3.69Å; L598-Y682 HydrophobicContact CD1-CE2 3.98Å; V678-Y682 WeakPolarHBondContact O-CB 3.32Å; V678-Y682 PolarHBondContact O-N 2.98Å; G679-Y682 WeakPolarHBondContact O-CB 3.31Å; G679-Y682 PolarHBondContact O-N 3.46Å; G679-Y682 VanDerWaalsContact O-N 3.17Å; Y682-L684 PolarHBondContact O-N 2.91Å; Y682-L685 WeakPolarHBondContact O-CB 3.23Å; Y682-L685 PolarHBondContact O-N 2.95Å; Y682-L685 VanDerWaalsContact O-N 3.1Å; Y682-G686 PolarHBondContact O-N 3.5Å; Y682-G686 VanDerWaalsContact O-N 3.09Å
683	D	98.4	Very high	98.1	Very high	71 Å²	71	43.5 Å²	43.5	38%	0.38	23%	0.232	S	C	.	.	H	α-helix	trans	-63	-40.1	176.5	-78.9	-6	0	0	0	111.7	G679 E680 V681 L685 G686 Q687	G679-D683 PolarHBondContact O-N 3.38Å; E680-D683 PolarHBondContact O-N 3.04Å; V681-D683 VanDerWaalsContact C-N 3.34Å; V681-D683 PolarHBondContact O-N 2.97Å; D683-L685 VanDerWaalsContact C-N 3.29Å; D683-L685 PolarHBondContact O-N 2.72Å; D683-G686 PolarHBondContact O-N 2.94Å; D683-G686 VanDerWaalsContact O-N 3.1Å; D683-Q687 VanDerWaalsContact O-CG 3.29Å; D683-Q687 WeakPolarHBondContact O-CG 3.48Å; D683-Q687 PolarHBondContact O-N 3.42Å
684	L	98.6	Very high	97.9	Very high	13 Å²	13	42 Å²	42	7%	0.068	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-34.8	172.6	-73.2	165.5	0	0	0	112.6	E680 V681 Y682 Y688 I709 Q712 V713	E680-L684 VanDerWaalsContact O-CG 3.27Å; E680-L684 WeakPolarHBondContact O-CG 3.4Å; E680-L684 PolarHBondContact O-N 2.87Å; V681-L684 WeakPolarHBondContact O-CB 3.26Å; V681-L684 PolarHBondContact O-N 3.44Å; Y682-L684 PolarHBondContact O-N 2.91Å; L684-Y688 WeakPolarHBondContact O-CB 3.34Å; L684-Y688 PolarHBondContact O-N 3.04Å; L684-I709 HydrophobicContact CB-CG1 4.41Å; L684-I709 HydrophobicContact CD1-CG2 4.37Å; L684-Q712 HydrophobicContact CD2-CB 3.68Å; L684-Q712 HydrophobicContact CD2-CG 4.22Å; L684-V713 HydrophobicContact CD1-CG2 3.57Å; L684-V713 HydrophobicContact CD2-CG2 4.42Å
685	L	98.6	Very high	97.6	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-40.8	172.1	-57.8	-177.2	0	0	0	111.6	I594 L634 L637 L641 V681 Y682 D683 Y688 Y689 L705	I594-L685 HydrophobicContact CD1-CB 3.98Å; I594-L685 HydrophobicContact CG2-CD1 3.87Å; L634-L685 HydrophobicContact CD1-CD1 4.26Å; L634-L685 HydrophobicContact CD1-CD2 4.06Å; L637-L685 HydrophobicContact CD1-CD2 4.16Å; L641-L685 HydrophobicContact CD1-CD1 4.3Å; V681-L685 WeakPolarHBondContact O-CG 3.23Å; V681-L685 PolarHBondContact O-N 2.7Å; Y682-L685 WeakPolarHBondContact O-CB 3.23Å; Y682-L685 PolarHBondContact O-N 2.95Å; Y682-L685 VanDerWaalsContact O-N 3.1Å; D683-L685 VanDerWaalsContact C-N 3.29Å; D683-L685 PolarHBondContact O-N 2.72Å; L685-Y688 PolarHBondContact O-N 3.05Å; L685-Y689 PolarHBondContact O-N 3.43Å; L685-L705 HydrophobicContact CD2-CD1 3.77Å; L685-L705 HydrophobicContact CD2-CD2 3.95Å; L685-L705 HydrophobicContact CD2-CG 4.39Å
686	G	98	Very high	97.3	Very high	22 Å²	22	41 Å²	41	23%	0.227	23%	0.228	C	C	.	.	H	α-helix	trans	-66.2	-38.5	175.8	0	0	0	0	0	113.2	Y682 D683 Y689 S690	Y682-G686 PolarHBondContact O-N 3.5Å; Y682-G686 VanDerWaalsContact O-N 3.09Å; D683-G686 PolarHBondContact O-N 2.94Å; D683-G686 VanDerWaalsContact O-N 3.1Å; G686-Y689 WeakPolarHBondContact O-CB 3.13Å; G686-Y689 PolarHBondContact O-N 3.43Å; G686-S690 PolarHBondContact O-N 3.36Å; G686-S690 PolarHBondContact O-OG 3.35Å
687	Q	98.1	Very high	97	Very high	81 Å²	81	48.6 Å²	48.6	38%	0.379	27%	0.268	S	S	.	.	H	α-helix	trans	-66.1	-42.3	173.2	-68.7	172	39.6	0	0	111.4	D683 Y689 S690 S691 F708	D683-Q687 VanDerWaalsContact O-CG 3.29Å; D683-Q687 WeakPolarHBondContact O-CG 3.48Å; D683-Q687 PolarHBondContact O-N 3.42Å; Q687-Y689 VanDerWaalsContact C-N 3.32Å; Q687-Y689 PolarHBondContact O-N 3.16Å; Q687-S690 PolarHBondContact O-N 3.13Å; Q687-S691 VanDerWaalsContact O-CB 3.23Å; Q687-S691 WeakPolarHBondContact O-CB 3.49Å; Q687-S691 PolarHBondContact O-N 3.45Å; Q687-S691 PolarHBondContact O-OG 2.93Å; Q687-S691 VanDerWaalsContact O-OG 3.12Å; Q687-F708 HydrophobicContact CB-CE1 4.07Å; Q687-F708 HydrophobicContact CB-CZ 3.94Å
688	Y	98.5	Very high	96.6	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.016	29%	0.291	C	S	.	.	H	α-helix	trans	-61.5	-40.1	174.5	-179.8	-105.1	0	0	0	112	F589 L684 L685 V692 C693 P701 V703 L705 F708	F589-Y688 AromaticContact CD1-CD1 3.72Å; F589-Y688 HydrophobicContact CD1-CD1 3.72Å; F589-Y688 AromaticContact CD1-CE1 3.55Å; F589-Y688 HydrophobicContact CD1-CE1 3.55Å; F589-Y688 HydrophobicContact CE1-CD1 4.09Å; F589-Y688 AromaticContact CE1-CE1 3.54Å; F589-Y688 HydrophobicContact CE1-CE1 3.54Å; F589-Y688 HydrophobicContact CG-CD1 4.4Å; F589-Y688 HydrophobicContact CG-CE1 4.16Å; F589-Y688 HydrophobicContact CZ-CE1 4.16Å; L684-Y688 WeakPolarHBondContact O-CB 3.34Å; L684-Y688 PolarHBondContact O-N 3.04Å; L685-Y688 PolarHBondContact O-N 3.05Å; Y688-V692 HydrophobicContact CD2-CB 3.9Å; Y688-V692 HydrophobicContact CD2-CG1 4.39Å; Y688-V692 HydrophobicContact CD2-CG2 3.68Å; Y688-V692 HydrophobicContact CE2-CB 3.86Å; Y688-V692 HydrophobicContact CE2-CG1 3.85Å; Y688-V692 HydrophobicContact CE2-CG2 3.94Å; Y688-V692 WeakPolarHBondContact O-CA 3.26Å; Y688-V692 VanDerWaalsContact O-CB 3.26Å; Y688-V692 WeakPolarHBondContact O-CB 3.39Å; Y688-V692 PolarHBondContact O-N 3.24Å; Y688-C693 WeakPolarHBondContact CE1-SG 3.46Å; Y688-C693 PolarHBondContact O-N 2.89Å; Y688-P701 WeakPolarHBondContact OH-CG 3.27Å; Y688-V703 PolarHBondContact OH-O 2.98Å; Y688-L705 HydrophobicContact CD1-CB 4.43Å; Y688-L705 HydrophobicContact CD1-CD1 3.53Å; Y688-L705 HydrophobicContact CD2-CD1 4.11Å; Y688-L705 HydrophobicContact CE1-CB 4.03Å; Y688-L705 HydrophobicContact CE1-CD1 4Å; Y688-L705 HydrophobicContact CE2-CB 4.35Å; Y688-L705 HydrophobicContact CG-CD1 3.55Å; Y688-L705 PolarHBondContact OH-N 3.37Å; Y688-F708 HydrophobicContact CD2-CB 3.59Å; Y688-F708 AromaticContact CD2-CD1 3.77Å; Y688-F708 HydrophobicContact CD2-CD1 3.77Å; Y688-F708 HydrophobicContact CD2-CD2 4.12Å; Y688-F708 HydrophobicContact CD2-CE1 4.48Å; Y688-F708 AromaticContact CD2-CG 3.56Å; Y688-F708 HydrophobicContact CD2-CG 3.56Å; Y688-F708 HydrophobicContact CE2-CB 3.97Å; Y688-F708 HydrophobicContact CE2-CG 4.38Å; Y688-F708 HydrophobicContact CG-CD1 4.21Å; Y688-F708 HydrophobicContact CG-CG 4.43Å
689	Y	98.1	Very high	96.2	Very high	39 Å²	39	65.8 Å²	65.8	15%	0.153	33%	0.33	C	S	.	.	I	π-helix	trans	-58.4	-55.6	173.2	173.6	-106	0	0	0	111.4	F589 H590 P591 L685 G686 Q687 C693 E694	F589-Y689 HydrophobicContact CB-CD2 4.18Å; F589-Y689 VanDerWaalsContact O-CB 3.31Å; F589-Y689 WeakPolarHBondContact O-CB 3.46Å; F589-Y689 VanDerWaalsContact O-CD2 3.25Å; F589-Y689 WeakPolarHBondContact O-CD2 3.44Å; H590-Y689 HydrophobicContact CB-CE2 4.13Å; H590-Y689 AromaticContact CD2-CZ 3.8Å; H590-Y689 PolarHBondContact CD2-OH 3.05Å; P591-Y689 HydrophobicContact CG-CD1 4.04Å; P591-Y689 HydrophobicContact CG-CE1 4.46Å; L685-Y689 PolarHBondContact O-N 3.43Å; G686-Y689 WeakPolarHBondContact O-CB 3.13Å; G686-Y689 PolarHBondContact O-N 3.43Å; Q687-Y689 VanDerWaalsContact C-N 3.32Å; Q687-Y689 PolarHBondContact O-N 3.16Å; Y689-C693 HydrophobicContact CD2-CB 3.93Å; Y689-C693 HydrophobicContact CE2-CB 4.48Å; Y689-C693 CarbonylContact O-C 3.56Å; Y689-C693 WeakPolarHBondContact O-CA 3.4Å; Y689-C693 WeakPolarHBondContact O-CB 3.17Å; Y689-C693 PolarHBondContact O-N 3.5Å; Y689-E694 HydrophobicContact CE1-CB 4.14Å; Y689-E694 HydrophobicContact CE1-CG 4.32Å; Y689-E694 HydrophobicContact CE2-CB 4.37Å; Y689-E694 PolarHBondContact O-N 3.29Å
690	S	97.5	Very high	96	Very high	65 Å²	65	73 Å²	73	46%	0.455	36%	0.356	S	S	.	.	I	π-helix	trans	-65.7	-43.8	-172.5	-48	0	0	0	0	112.1	G686 Q687	G686-S690 PolarHBondContact O-N 3.36Å; G686-S690 PolarHBondContact O-OG 3.35Å; Q687-S690 PolarHBondContact O-N 3.13Å
691	S	96.7	Very high	95.8	Very high	92 Å²	92	69.5 Å²	69.5	64%	0.643	34%	0.342	S	S	*	.	I	π-helix	trans	-83.6	-31.3	-174.6	-58.7	0	0	0	0	113.9	Q687	Q687-S691 VanDerWaalsContact O-CB 3.23Å; Q687-S691 WeakPolarHBondContact O-CB 3.49Å; Q687-S691 PolarHBondContact O-N 3.45Å; Q687-S691 PolarHBondContact O-OG 2.93Å; Q687-S691 VanDerWaalsContact O-OG 3.12Å
692	V	97.1	Very high	95.4	Very high	30 Å²	30	75 Å²	75	18%	0.182	37%	0.371	C	S	.	.	I	π-helix	trans	-119.5	-33.4	-168.6	-166.7	0	0	0	0	113.1	Y688 C696 P701 V703 F708	Y688-V692 HydrophobicContact CD2-CB 3.9Å; Y688-V692 HydrophobicContact CD2-CG1 4.39Å; Y688-V692 HydrophobicContact CD2-CG2 3.68Å; Y688-V692 HydrophobicContact CE2-CB 3.86Å; Y688-V692 HydrophobicContact CE2-CG1 3.85Å; Y688-V692 HydrophobicContact CE2-CG2 3.94Å; Y688-V692 WeakPolarHBondContact O-CA 3.26Å; Y688-V692 VanDerWaalsContact O-CB 3.26Å; Y688-V692 WeakPolarHBondContact O-CB 3.39Å; Y688-V692 PolarHBondContact O-N 3.24Å; V692-C696 WeakPolarHBondContact O-CB 3.38Å; V692-P701 HydrophobicContact CG1-CB 3.61Å; V692-V703 HydrophobicContact CG1-CB 4.21Å; V692-F708 HydrophobicContact CG2-CD2 3.78Å; V692-F708 HydrophobicContact CG2-CE2 3.99Å; V692-F708 HydrophobicContact CG2-CG 4.5Å
693	C	96.6	Very high	95.3	Very high	5 Å²	5	76.3 Å²	76.3	3%	0.034	38%	0.382	C	S	.	.	I	π-helix	trans	-102	-42.4	-170.6	-60.4	0	0	0	0	114.6	L586 F589 Y688 Y689 N695 C696	L586-C693 HydrophobicContact CD2-CB 4.22Å; F589-C693 HydrophobicContact CB-CB 4.31Å; Y688-C693 WeakPolarHBondContact CE1-SG 3.46Å; Y688-C693 PolarHBondContact O-N 2.89Å; Y689-C693 HydrophobicContact CD2-CB 3.93Å; Y689-C693 HydrophobicContact CE2-CB 4.48Å; Y689-C693 CarbonylContact O-C 3.56Å; Y689-C693 WeakPolarHBondContact O-CA 3.4Å; Y689-C693 WeakPolarHBondContact O-CB 3.17Å; Y689-C693 PolarHBondContact O-N 3.5Å; C693-N695 PolarHBondContact O-N 2.92Å; C693-C696 WeakPolarHBondContact O-CB 3.49Å; C693-C696 VanDerWaalsContact O-CB 3.24Å; C693-C696 VanDerWaalsContact O-N 3.09Å; C693-C696 PolarHBondContact O-N 2.84Å
694	E	93.4	Very high	95.2	Very high	112 Å²	112	75.4 Å²	75.4	52%	0.523	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-48.8	-169.8	-176.5	-173.7	-134	0	0	112.3	Y689	Y689-E694 HydrophobicContact CE1-CB 4.14Å; Y689-E694 HydrophobicContact CE1-CG 4.32Å; Y689-E694 HydrophobicContact CE2-CB 4.37Å; Y689-E694 PolarHBondContact O-N 3.29Å
695	N	91.8	Very high	95.2	Very high	128 Å²	128	75.1 Å²	75.1	68%	0.684	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	15.4	-177.4	-65.5	-75.2	0	0	0	112.8	C693 L697	C693-N695 PolarHBondContact O-N 2.92Å; N695-L697 PolarHBondContact O-N 3.37Å
696	C	92.4	Very high	95.2	Very high	32 Å²	32	75.5 Å²	75.5	22%	0.216	38%	0.381	C	S	.	.			trans	-75.7	112.6	-177.6	-168	0	0	0	0	111.8	L586 V692 C693 R698	L586-C696 HydrophobicContact CD1-CB 3.76Å; L586-C696 HydrophobicContact CD2-CB 4.45Å; V692-C696 WeakPolarHBondContact O-CB 3.38Å; C693-C696 WeakPolarHBondContact O-CB 3.49Å; C693-C696 VanDerWaalsContact O-CB 3.24Å; C693-C696 VanDerWaalsContact O-N 3.09Å; C693-C696 PolarHBondContact O-N 2.84Å; C696-R698 PolarHBondContact O-N 2.93Å; C696-R698 VanDerWaalsContact C-N 3.26Å
697	L	90.6	Very high	95.2	Very high	180 Å²	180	77.4 Å²	77.4	94%	0.942	39%	0.391	S	S	*	.			trans	-79.7	-4.8	177	-57.1	179.8	0	0	0	113.8	N695	N695-L697 PolarHBondContact O-N 3.37Å
698	R	92	Very high	95.2	Very high	156 Å²	156	74 Å²	74	59%	0.589	38%	0.375	S	S	*	.	S	Bend	trans	-96.8	161.6	-179.8	-65.9	-178.2	-178.8	-170.3	4.8	110.4	L586 C696 R700 D702	L586-R698 WeakPolarHBondContact CD1-O 3.43Å; C696-R698 PolarHBondContact O-N 2.93Å; C696-R698 VanDerWaalsContact C-N 3.26Å; R698-R700 VanDerWaalsContact CB-O 3.24Å; R698-R700 WeakPolarHBondContact CB-O 2.87Å; R698-R700 PolarHBondContact O-N 3.43Å; R698-D702 VanDerWaalsContact CZ-OD2 3.25Å; R698-D702 IonicContact NH2-OD2 2.59Å; R698-D702 PolarHBondContact NH1-OD2 3.4Å; R698-D702 IonicContact NH1-OD2 2.7Å; R698-D702 PolarHBondContact NH1-OD1 3.45Å; R698-D702 IonicContact NH1-OD1 3.96Å; R698-D702 IonicContact NE-OD2 3.13Å; R698-D702 IonicContact NE-OD1 3.42Å; R698-D702 IonicContact CZ-OD2 3.65Å; R698-D702 IonicContact CZ-OD1 3.32Å; R698-D702 WeakPolarHBondContact CD-OD1 3.47Å
699	R	90.1	Very high	95.2	Very high	220 Å²	220	73.9 Å²	73.9	83%	0.83	38%	0.375	S	S	*	.	S	Bend	trans	-69.5	-18.6	176.1	-70.2	-174.6	178.2	-178.3	-0.2	113.9
700	R	92.8	Very high	95.2	Very high	155 Å²	155	75.9 Å²	75.9	59%	0.585	38%	0.383	S	S	*	.	S	Bend	trans	-142.8	148.5	175.7	-71.8	-163.7	167.4	-164	-5.6	107.8	F585 R698	F585-R700 HydrophobicContact CD1-CB 4.38Å; F585-R700 HydrophobicContact CD1-CG 3.71Å; F585-R700 HydrophobicContact CE1-CG 4.02Å; F585-R700 HydrophobicContact CG-CG 4.08Å; R698-R700 VanDerWaalsContact CB-O 3.24Å; R698-R700 WeakPolarHBondContact CB-O 2.87Å; R698-R700 PolarHBondContact O-N 3.43Å
701	P	94.3	Very high	95.2	Very high	21 Å²	21	78.5 Å²	78.5	14%	0.136	39%	0.388	C	S	.	.			trans	-70.6	155.8	175	30.3	-31	0	0	0	110.7	L586 Y688 V692	L586-P701 HydrophobicContact CD2-CG 4.43Å; Y688-P701 WeakPolarHBondContact OH-CG 3.27Å; V692-P701 HydrophobicContact CG1-CB 3.61Å
702	D	92.2	Very high	95.2	Very high	117 Å²	117	77.5 Å²	77.5	63%	0.626	37%	0.373	S	S	*	.	S	Bend	trans	-79.9	-28	179	-67.1	-24.8	0	0	0	112.1	R698	R698-D702 VanDerWaalsContact CZ-OD2 3.25Å; R698-D702 IonicContact NH2-OD2 2.59Å; R698-D702 PolarHBondContact NH1-OD2 3.4Å; R698-D702 IonicContact NH1-OD2 2.7Å; R698-D702 PolarHBondContact NH1-OD1 3.45Å; R698-D702 IonicContact NH1-OD1 3.96Å; R698-D702 IonicContact NE-OD2 3.13Å; R698-D702 IonicContact NE-OD1 3.42Å; R698-D702 IonicContact CZ-OD2 3.65Å; R698-D702 IonicContact CZ-OD1 3.32Å; R698-D702 WeakPolarHBondContact CD-OD1 3.47Å
703	V	95.4	Very high	95	Very high	58 Å²	58	76.5 Å²	76.5	35%	0.352	37%	0.367	S	S	.	.	S	Bend	trans	-99.2	133.1	171.8	-176.9	0	0	0	0	108.7	Y688 V692 F708	Y688-V703 PolarHBondContact OH-O 2.98Å; V692-V703 HydrophobicContact CG1-CB 4.21Å; V703-F708 HydrophobicContact CG1-CB 4.1Å
704	S	97.2	Very high	94.3	Very high	51 Å²	51	78.1 Å²	78.1	36%	0.357	38%	0.384	S	S	.	.			trans	-79.6	155.9	176.4	90.6	0	0	0	0	111.8	Y706 S707 F708	S704-Y706 PolarHBondContact O-N 2.92Å; S704-Y706 VanDerWaalsContact C-N 3.29Å; S704-S707 PolarHBondContact O-N 2.97Å; S704-S707 WeakPolarHBondContact OG-CB 3.28Å; S704-S707 PolarHBondContact OG-N 2.87Å; S704-S707 VanDerWaalsContact OG-N 3.15Å; S704-S707 PolarHBondContact OG-OG 2.8Å; S704-F708 PolarHBondContact O-N 3.42Å
705	L	98.4	Very high	93.2	Very high	7 Å²	7	76.7 Å²	76.7	4%	0.037	39%	0.387	C	S	.	.	H	α-helix	trans	-54	-45	177.5	176.4	64.1	0	0	0	112.3	F589 L634 L637 L685 Y688 F708 I709	F589-L705 HydrophobicContact CE1-CB 4.5Å; F589-L705 HydrophobicContact CE1-CD2 4.32Å; L634-L705 HydrophobicContact CB-CD2 4.01Å; L634-L705 HydrophobicContact CD1-CD2 3.82Å; L637-L705 HydrophobicContact CD1-CD2 3.98Å; L685-L705 HydrophobicContact CD2-CD1 3.77Å; L685-L705 HydrophobicContact CD2-CD2 3.95Å; L685-L705 HydrophobicContact CD2-CG 4.39Å; Y688-L705 HydrophobicContact CD1-CB 4.43Å; Y688-L705 HydrophobicContact CD1-CD1 3.53Å; Y688-L705 HydrophobicContact CD2-CD1 4.11Å; Y688-L705 HydrophobicContact CE1-CB 4.03Å; Y688-L705 HydrophobicContact CE1-CD1 4Å; Y688-L705 HydrophobicContact CE2-CB 4.35Å; Y688-L705 HydrophobicContact CG-CD1 3.55Å; Y688-L705 PolarHBondContact OH-N 3.37Å; L705-F708 PolarHBondContact O-N 3.4Å; L705-I709 HydrophobicContact CD1-CD1 4.01Å; L705-I709 PolarHBondContact O-N 3.13Å; L705-I709 WeakPolarHBondContact O-CG1 3.05Å; L705-I709 HydrophobicContact CG-CD1 3.99Å; L705-I709 HydrophobicContact CD1-CG1 4.45Å
706	Y	98.5	Very high	91.7	Very high	10 Å²	10	75 Å²	75	4%	0.039	39%	0.385	C	S	.	.	H	α-helix	trans	-72.1	-39	-177.6	-76	12.1	0	0	0	111.5	R633 L637 D663 V664 M667 S704 F708 I709 Y710	R633-Y706 HydrophobicContact CB-CD1 4.11Å; R633-Y706 HydrophobicContact CB-CD2 4.45Å; R633-Y706 HydrophobicContact CB-CE1 3.62Å; R633-Y706 HydrophobicContact CB-CE2 4Å; R633-Y706 HydrophobicContact CG-CD2 4.18Å; R633-Y706 HydrophobicContact CG-CE1 4.32Å; R633-Y706 HydrophobicContact CG-CE2 3.77Å; R633-Y706 PolarHBondContact O-OH 2.93Å; L637-Y706 HydrophobicContact CD1-CD1 4.21Å; L637-Y706 HydrophobicContact CD1-CE1 3.54Å; L637-Y706 HydrophobicContact CG-CE1 3.85Å; D663-Y706 HydrophobicContact CB-CD2 4.29Å; D663-Y706 HydrophobicContact CB-CE2 4.26Å; D663-Y706 VanDerWaalsContact O-CE2 3.3Å; D663-Y706 WeakPolarHBondContact O-CE2 3.32Å; V664-Y706 HydrophobicContact CG2-CE2 4.29Å; M667-Y706 HydrophobicContact CB-CD2 3.81Å; M667-Y706 HydrophobicContact CB-CE1 4.44Å; M667-Y706 HydrophobicContact CB-CE2 3.57Å; M667-Y706 HydrophobicContact CB-CG 4.35Å; M667-Y706 HydrophobicContact CE-CD1 4.03Å; M667-Y706 HydrophobicContact CE-CD2 4.16Å; M667-Y706 HydrophobicContact CE-CG 3.69Å; M667-Y706 HydrophobicContact CG-CD1 4.14Å; M667-Y706 HydrophobicContact CG-CD2 4.19Å; M667-Y706 HydrophobicContact CG-CE1 3.95Å; M667-Y706 HydrophobicContact CG-CE2 3.99Å; M667-Y706 HydrophobicContact CG-CG 4.27Å; S704-Y706 PolarHBondContact O-N 2.92Å; S704-Y706 VanDerWaalsContact C-N 3.29Å; Y706-F708 VanDerWaalsContact C-N 3.3Å; Y706-F708 PolarHBondContact O-N 3.42Å; Y706-I709 PolarHBondContact O-N 3.38Å; Y706-Y710 PolarHBondContact O-N 3.3Å; Y706-Y710 WeakPolarHBondContact O-CD2 3.46Å
707	S	97.9	Very high	89.7	Confident	62 Å²	62	78.3 Å²	78.3	43%	0.434	40%	0.397	S	S	.	.	H	α-helix	trans	-57.2	-44.7	173.2	-52.7	0	0	0	0	111.6	S704 Y710 E711	S704-S707 PolarHBondContact O-N 2.97Å; S704-S707 WeakPolarHBondContact OG-CB 3.28Å; S704-S707 PolarHBondContact OG-N 2.87Å; S704-S707 VanDerWaalsContact OG-N 3.15Å; S704-S707 PolarHBondContact OG-OG 2.8Å; S707-Y710 PolarHBondContact O-N 3.13Å; S707-E711 PolarHBondContact O-N 3.09Å; S707-E711 VanDerWaalsContact O-N 3.09Å
708	F	98.3	Very high	87.1	Confident	11 Å²	11	73.8 Å²	73.8	5%	0.048	39%	0.386	C	S	.	.	H	α-helix	trans	-62.8	-45.5	176.7	177.2	-93.6	0	0	0	112.3	Q687 Y688 V692 V703 S704 L705 Y706 Y710 E711 Q712	Q687-F708 HydrophobicContact CB-CE1 4.07Å; Q687-F708 HydrophobicContact CB-CZ 3.94Å; Y688-F708 HydrophobicContact CD2-CB 3.59Å; Y688-F708 AromaticContact CD2-CD1 3.77Å; Y688-F708 HydrophobicContact CD2-CD1 3.77Å; Y688-F708 HydrophobicContact CD2-CD2 4.12Å; Y688-F708 HydrophobicContact CD2-CE1 4.48Å; Y688-F708 AromaticContact CD2-CG 3.56Å; Y688-F708 HydrophobicContact CD2-CG 3.56Å; Y688-F708 HydrophobicContact CE2-CB 3.97Å; Y688-F708 HydrophobicContact CE2-CG 4.38Å; Y688-F708 HydrophobicContact CG-CD1 4.21Å; Y688-F708 HydrophobicContact CG-CG 4.43Å; V692-F708 HydrophobicContact CG2-CD2 3.78Å; V692-F708 HydrophobicContact CG2-CE2 3.99Å; V692-F708 HydrophobicContact CG2-CG 4.5Å; V703-F708 HydrophobicContact CG1-CB 4.1Å; S704-F708 PolarHBondContact O-N 3.42Å; L705-F708 PolarHBondContact O-N 3.4Å; Y706-F708 VanDerWaalsContact C-N 3.3Å; Y706-F708 PolarHBondContact O-N 3.42Å; F708-Y710 PolarHBondContact O-N 3.34Å; F708-E711 PolarHBondContact O-N 3.03Å; F708-Q712 HydrophobicContact CE2-CG 3.91Å; F708-Q712 PolarHBondContact O-N 3.3Å; F708-Q712 WeakPolarHBondContact O-CG 3.39Å; F708-Q712 HydrophobicContact CZ-CG 3.56Å; F708-Q712 HydrophobicContact CG-CG 4.37Å; F708-Q712 HydrophobicContact CE1-CG 3.64Å; F708-Q712 HydrophobicContact CD2-CG 4.3Å; F708-Q712 HydrophobicContact CD1-CG 4.06Å
709	I	98.4	Very high	84.6	Confident	0 Å²	0	71.9 Å²	71.9	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-61.4	-44.3	178.2	-69.7	166.1	0	0	0	111.2	L637 M667 F670 L671 L684 L705 Y706 E711 Q712 V713	L637-I709 HydrophobicContact CD1-CD1 3.7Å; M667-I709 HydrophobicContact CE-CB 3.93Å; M667-I709 HydrophobicContact CE-CG2 3.83Å; M667-I709 HydrophobicContact SD-CB 4.26Å; M667-I709 HydrophobicContact SD-CD1 4.45Å; M667-I709 HydrophobicContact SD-CG2 3.59Å; M667-I709 VanDerWaalsContact SD-CG2 3.59Å; F670-I709 HydrophobicContact CE1-CG2 4.45Å; L671-I709 HydrophobicContact CD2-CG2 4.07Å; L684-I709 HydrophobicContact CB-CG1 4.41Å; L684-I709 HydrophobicContact CD1-CG2 4.37Å; L705-I709 HydrophobicContact CD1-CD1 4.01Å; L705-I709 PolarHBondContact O-N 3.13Å; L705-I709 WeakPolarHBondContact O-CG1 3.05Å; L705-I709 HydrophobicContact CG-CD1 3.99Å; L705-I709 HydrophobicContact CD1-CG1 4.45Å; Y706-I709 PolarHBondContact O-N 3.38Å; I709-E711 VanDerWaalsContact C-N 3.31Å; I709-E711 PolarHBondContact O-N 2.93Å; I709-Q712 PolarHBondContact O-N 3.22Å; I709-V713 PolarHBondContact O-N 3.09Å; I709-V713 WeakPolarHBondContact O-CG2 3.1Å; I709-V713 HydrophobicContact CG2-CG2 4.4Å; I709-V713 WeakPolarHBondContact O-CB 3.41Å
710	Y	98.3	Very high	82.1	Confident	82 Å²	82	67.3 Å²	67.3	32%	0.322	39%	0.386	S	S	.	.	H	α-helix	trans	-60.5	-39.2	175.7	-71.7	-55.2	0	0	0	112.4	D666 M667 F670 Y706 S707 F708 G714	D666-Y710 VanDerWaalsContact C-OH 3.29Å; M667-Y710 HydrophobicContact CE-CD1 4.11Å; M667-Y710 HydrophobicContact CE-CD2 3.94Å; M667-Y710 HydrophobicContact CE-CE1 3.82Å; M667-Y710 HydrophobicContact CE-CE2 3.64Å; M667-Y710 HydrophobicContact CE-CG 4.16Å; M667-Y710 PolarHBondContact N-OH 3.49Å; F670-Y710 HydrophobicContact CB-CD1 4.41Å; F670-Y710 HydrophobicContact CB-CE1 3.7Å; F670-Y710 AromaticContact CD1-CD1 3.71Å; F670-Y710 HydrophobicContact CD1-CD1 3.71Å; F670-Y710 AromaticContact CD1-CE1 3.79Å; F670-Y710 HydrophobicContact CD1-CE1 3.79Å; F670-Y710 AromaticContact CD2-CD1 3.79Å; F670-Y710 HydrophobicContact CD2-CD1 3.79Å; F670-Y710 AromaticContact CD2-CE1 3.84Å; F670-Y710 HydrophobicContact CD2-CE1 3.84Å; F670-Y710 AromaticContact CE1-CD1 3.8Å; F670-Y710 HydrophobicContact CE1-CD1 3.8Å; F670-Y710 HydrophobicContact CE1-CE1 4.36Å; F670-Y710 AromaticContact CE2-CD1 3.88Å; F670-Y710 HydrophobicContact CE2-CD1 3.88Å; F670-Y710 HydrophobicContact CE2-CE1 4.41Å; F670-Y710 AromaticContact CG-CD1 3.71Å; F670-Y710 HydrophobicContact CG-CD1 3.71Å; F670-Y710 AromaticContact CG-CE1 3.51Å; F670-Y710 HydrophobicContact CG-CE1 3.51Å; F670-Y710 AromaticContact CZ-CD1 3.89Å; F670-Y710 HydrophobicContact CZ-CD1 3.89Å; Y706-Y710 PolarHBondContact O-N 3.3Å; Y706-Y710 WeakPolarHBondContact O-CD2 3.46Å; S707-Y710 PolarHBondContact O-N 3.13Å; F708-Y710 PolarHBondContact O-N 3.34Å; Y710-G714 WeakPolarHBondContact O-CA 3.49Å; Y710-G714 PolarHBondContact O-N 3.25Å
711	E	96.8	Very high	79.4	Confident	120 Å²	120	69.3 Å²	69.3	56%	0.561	40%	0.402	S	S	*	.	H	α-helix	trans	-68.9	-48.1	178.6	-175.1	177.1	-169.6	0	0	112.3	S707 F708 I709 S715	S707-E711 PolarHBondContact O-N 3.09Å; S707-E711 VanDerWaalsContact O-N 3.09Å; F708-E711 PolarHBondContact O-N 3.03Å; I709-E711 VanDerWaalsContact C-N 3.31Å; I709-E711 PolarHBondContact O-N 2.93Å; E711-S715 WeakPolarHBondContact O-CB 3.34Å; E711-S715 PolarHBondContact O-N 2.83Å; E711-S715 VanDerWaalsContact O-N 3.12Å; E711-S715 PolarHBondContact O-OG 3.27Å
712	Q	96	Very high	76.7	Confident	70 Å²	70	72.9 Å²	72.9	33%	0.327	43%	0.427	S	S	.	.	H	α-helix	trans	-66.1	-44.8	-178.5	-65.7	-51.4	-61.5	0	0	112.4	L684 F708 I709 S715	L684-Q712 HydrophobicContact CD2-CB 3.68Å; L684-Q712 HydrophobicContact CD2-CG 4.22Å; F708-Q712 HydrophobicContact CE2-CG 3.91Å; F708-Q712 PolarHBondContact O-N 3.3Å; F708-Q712 WeakPolarHBondContact O-CG 3.39Å; F708-Q712 HydrophobicContact CZ-CG 3.56Å; F708-Q712 HydrophobicContact CG-CG 4.37Å; F708-Q712 HydrophobicContact CE1-CG 3.64Å; F708-Q712 HydrophobicContact CD2-CG 4.3Å; F708-Q712 HydrophobicContact CD1-CG 4.06Å; I709-Q712 PolarHBondContact O-N 3.22Å; Q712-S715 PolarHBondContact O-OG 2.9Å
713	V	93.4	Very high	74.2	Confident	10 Å²	10	72 Å²	72	6%	0.061	43%	0.43	C	S	.	.	H	α-helix	trans	-78.9	-36.3	-179.3	178.2	0	0	0	0	111.6	F670 I676 L684 I709 S715 S716	F670-V713 HydrophobicContact CE1-CB 3.68Å; F670-V713 HydrophobicContact CE1-CG1 3.71Å; F670-V713 HydrophobicContact CE1-CG2 4.3Å; F670-V713 HydrophobicContact CZ-CB 3.74Å; F670-V713 HydrophobicContact CZ-CG1 3.68Å; I676-V713 HydrophobicContact CD1-CG1 4.02Å; I676-V713 HydrophobicContact CG1-CG1 4.36Å; L684-V713 HydrophobicContact CD1-CG2 3.57Å; L684-V713 HydrophobicContact CD2-CG2 4.42Å; I709-V713 PolarHBondContact O-N 3.09Å; I709-V713 WeakPolarHBondContact O-CG2 3.1Å; I709-V713 HydrophobicContact CG2-CG2 4.4Å; I709-V713 WeakPolarHBondContact O-CB 3.41Å; V713-S715 VanDerWaalsContact C-N 3.31Å; V713-S715 PolarHBondContact O-N 3.31Å; V713-S716 PolarHBondContact O-N 2.98Å; V713-S716 PolarHBondContact O-OG 3Å
714	G	82.8	Confident	71.3	Confident	39 Å²	39	81 Å²	81	40%	0.402	46%	0.457	S	S	.	.	H	α-helix	trans	-68.8	-27.4	179.1	0	0	0	0	0	113.7	Y710	Y710-G714 WeakPolarHBondContact O-CA 3.49Å; Y710-G714 PolarHBondContact O-N 3.25Å
715	S	70.1	Confident	68.3	Low	82 Å²	82	83.1 Å²	83.1	57%	0.573	48%	0.478	S	S	*	.	H	α-helix	trans	-81.1	-19.9	176.6	55.7	0	0	0	0	114	E711 Q712 V713	E711-S715 WeakPolarHBondContact O-CB 3.34Å; E711-S715 PolarHBondContact O-N 2.83Å; E711-S715 VanDerWaalsContact O-N 3.12Å; E711-S715 PolarHBondContact O-OG 3.27Å; Q712-S715 PolarHBondContact O-OG 2.9Å; V713-S715 VanDerWaalsContact C-N 3.31Å; V713-S715 PolarHBondContact O-N 3.31Å
716	S	59.1	Low	65.5	Low	93 Å²	93	88.9 Å²	88.9	65%	0.65	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-13	178.9	59.3	0	0	0	0	114.9	V713	V713-S716 PolarHBondContact O-N 2.98Å; V713-S716 PolarHBondContact O-OG 3Å
717	E	52	Low	62.4	Low	100 Å²	100	93.1 Å²	93.1	47%	0.467	55%	0.553	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.1	0.1	-175.6	-79.5	-173.2	148.8	0	0	115.3	R674 P719	R674-E717 WeakPolarHBondContact CG-OE1 3.42Å; R674-E717 IonicContact CZ-OE1 3.68Å; R674-E717 IonicContact CZ-OE2 3.86Å; R674-E717 IonicContact NE-OE1 3.13Å; R674-E717 PolarHBondContact NE-OE1 3.01Å; R674-E717 VanDerWaalsContact NE-OE1 3.16Å; R674-E717 IonicContact NE-OE2 3.76Å; R674-E717 PolarHBondContact NE-OE2 3Å; R674-E717 IonicContact NH2-OE1 2.82Å; R674-E717 IonicContact NH2-OE2 3.88Å; R674-E717 PolarHBondContact NH2-OE2 3.29Å; E717-P719 WeakPolarHBondContact O-CD 3.48Å
718	A	35.3	Very low	59.3	Low	85 Å²	85	93.8 Å²	93.8	70%	0.702	57%	0.57	S	S	*	*			trans	-72.9	109.2	178.8	0	0	0	0	0	111.4
719	P	38.8	Very low	56.2	Low	116 Å²	116	102.8 Å²	102.8	75%	0.753	61%	0.612	S	S	*	*			trans	-80.7	133.4	177.1	-3.5	24.5	0	0	0	108.9	E717 E721	E717-P719 WeakPolarHBondContact O-CD 3.48Å; P719-E721 PolarHBondContact O-N 2.61Å
720	D	39	Very low	53.1	Low	125 Å²	125	114.4 Å²	114.4	67%	0.668	66%	0.656	S	S	*	*			trans	-70.6	91.7	173.2	-165.7	-16.8	0	0	0	109.8	S722	D720-S722 PolarHBondContact O-N 2.95Å; D720-S722 WeakPolarHBondContact OD1-CB 3.36Å; D720-S722 PolarHBondContact OD1-OG 3.24Å
721	E	35.7	Very low	50	Low	197 Å²	197	115.9 Å²	115.9	92%	0.921	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	16	-174	-147.1	178.7	-145.5	0	0	113.5	P719	P719-E721 PolarHBondContact O-N 2.61Å
722	S	38	Very low	47.5	Very low	95 Å²	95	116.2 Å²	116.2	66%	0.664	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.8	-5.3	-175.3	70	0	0	0	0	115.4	D720	D720-S722 PolarHBondContact O-N 2.95Å; D720-S722 WeakPolarHBondContact OD1-CB 3.36Å; D720-S722 PolarHBondContact OD1-OG 3.24Å
723	S	39.3	Very low	44.9	Very low	98 Å²	98	119.8 Å²	119.8	69%	0.685	72%	0.717	S	S	*	*			trans	-123.4	38.3	-166.2	63.8	0	0	0	0	117
724	R	34.4	Very low	42.2	Very low	247 Å²	247	123 Å²	123	93%	0.932	75%	0.753	S	S	*	*			trans	-129.8	88.1	165	-75	-170.5	176.3	176.2	1.3	113.5
725	A	35	Very low	40.1	Very low	96 Å²	96	132.2 Å²	132.2	79%	0.793	78%	0.776	S	S	*	*			trans	-71.8	138.4	163.3	0	0	0	0	0	110.7	A727	A725-A727 PolarHBondContact O-N 3.34Å
726	P	38.4	Very low	38.5	Very low	129 Å²	129	140.6 Å²	140.6	84%	0.838	81%	0.805	S	S	*	*			trans	-78.9	119.2	-177.8	29.9	-33.3	0	0	0	112	G728	P726-G728 PolarHBondContact O-N 3.37Å
727	A	33.8	Very low	37.5	Very low	99 Å²	99	143 Å²	143	82%	0.818	81%	0.813	S	S	*	*			trans	-75.1	115.5	169.3	0	0	0	0	0	110.2	A725 Q729	A725-A727 PolarHBondContact O-N 3.34Å; A727-Q729 PolarHBondContact O-N 3.48Å
728	G	32.5	Very low	36.7	Very low	76 Å²	76	145.3 Å²	145.3	78%	0.784	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-67.6	127.6	-179.2	0	0	0	0	0	113	P726 R730	P726-G728 PolarHBondContact O-N 3.37Å; G728-R730 PolarHBondContact O-N 3.49Å
729	Q	33.7	Very low	36.8	Very low	199 Å²	199	148.6 Å²	148.6	93%	0.93	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-71.4	122.2	172.2	-72.9	179	-25.6	0	0	110.7	A727	A727-Q729 PolarHBondContact O-N 3.48Å
730	R	33.2	Very low	36.7	Very low	245 Å²	245	150.5 Å²	150.5	93%	0.925	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-91.2	127.2	160.7	-79.4	-176.4	171.7	-177.8	-2.2	109.3	G728	G728-R730 PolarHBondContact O-N 3.49Å
731	S	32.6	Very low	36.5	Very low	112 Å²	112	152.1 Å²	152.1	78%	0.783	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-78.2	138.1	170	41.5	0	0	0	0	111.3
732	P	45.2	Very low	36.6	Very low	127 Å²	127	149.1 Å²	149.1	83%	0.825	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-92.7	122.2	167.8	32.7	-28.1	0	0	0	110.7
733	T	41.3	Very low	36.5	Very low	145 Å²	145	153 Å²	153	89%	0.89	86%	0.863	S	S	*	*			trans	-81.2	112.7	168.2	36.6	0	0	0	0	110.2
734	G	36.7	Very low	36.2	Very low	78 Å²	78	157.2 Å²	157.2	80%	0.804	88%	0.877	S	S	*	*			trans	-102.9	115.4	171.9	0	0	0	0	0	111.3
735	R	37.3	Very low	36.4	Very low	233 Å²	233	149.8 Å²	149.8	88%	0.879	87%	0.872	S	S	*	*			trans	-85.6	120.1	160.9	-74.1	178.1	173.8	177	-2.7	108.4
736	H	37.1	Very low	36.5	Very low	258 Å²	258	154.6 Å²	154.6	100%	1.194	88%	0.879	S	S	*	*				-177.8	0	114.5	-101.5	-65.1	0	0	0	111.5

Retrieved 736 of 736 residues in 597.9 ms (Link to these results)

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