A0A087YCI8_POEFO Loading...

DNA topoisomerase I

Releases the supercoiling and torsional tension of DNA introduced during the DNA replication and transcription by transiently cleaving and rejoining one strand of the DNA duplex. Introduces a single-strand break via transesterification at the specific target site 5'-[CT]CCTTp site in duplex DNA. The scissile phosphodiester is attacked by the catalytic tyrosine of the enzyme, resulting in the formation of a DNA-(3'-phosphotyrosyl)-enzyme intermediate and the expulsion of a 5'-OH DNA strand. The free DNA strand then undergoes passage around the unbroken strand thus removing DNA supercoils. Finally, in the religation step, the DNA 5'-OH attacks the covalent intermediate to expel the active-site tyrosine and restore the DNA phosphodiester backbone.

AlphaFold DB , UniProt , Accession A0A087YCI8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 748 aa.

Structure Viewer

Loading PAE data...

(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	30.8	Very low	31.1	Very low	243 Å²	243	146.5 Å²	146.5	100%	1.197	79%	0.792	S	S	*	*				0	145.6	0	-75.9	170.4	165.7	0	0	107.5
2	S	29.9	Very low	31	Very low	127 Å²	127	146.5 Å²	146.5	89%	0.888	79%	0.789	S	S	*	*			trans	5.8	126	163.6	-33.7	0	0	0	0	118.7
3	G	31.9	Very low	30.9	Very low	66 Å²	66	146.2 Å²	146.2	68%	0.68	79%	0.787	S	S	*	*			cis	177.1	167	-4	0	0	0	0	0	114.6
4	D	33.8	Very low	30.6	Very low	145 Å²	145	152 Å²	152	78%	0.775	79%	0.794	S	S	*	*				3.8	155.5	128.8	-60.9	-59.8	0	0	0	119.3
5	H	33.8	Very low	30.4	Very low	162 Å²	162	147.5 Å²	147.5	75%	0.75	79%	0.787	S	S	*	*			cis	-165	172.2	8.8	-124.4	40.4	0	0	0	106.3
6	S	30.1	Very low	30.3	Very low	73 Å²	73	144.4 Å²	144.4	51%	0.51	78%	0.781	S	S	.	*			cis	178.6	162.6	-16.7	50.1	0	0	0	0	109.9
7	H	33	Very low	30.2	Very low	164 Å²	164	150.3 Å²	150.3	76%	0.759	79%	0.79	S	S	*	*			trans	67.9	157.4	161.2	-68.4	-66.6	0	0	0	117.9
8	N	28	Very low	30.1	Very low	137 Å²	137	148.7 Å²	148.7	73%	0.733	79%	0.787	S	S	*	*			cis	-143.1	171.8	1.3	-136.3	11.8	0	0	0	113.5
9	E	31.5	Very low	30.1	Very low	172 Å²	172	147.9 Å²	147.9	80%	0.804	78%	0.783	S	S	*	*			trans	-81.2	154.1	172.1	-59	170.2	114.6	0	0	111.5
10	D	30.6	Very low	30.1	Very low	160 Å²	160	145.8 Å²	145.8	86%	0.856	77%	0.772	S	S	*	*				-173.1	-178.9	111.1	-124	-40.3	0	0	0	115.4
11	Q	28.8	Very low	30.1	Very low	163 Å²	163	144.3 Å²	144.3	76%	0.762	77%	0.774	S	S	*	*			trans	-98.6	173.8	-150.9	-121.9	175	59.2	0	0	119.4
12	I	29.9	Very low	30.1	Very low	146 Å²	146	139.8 Å²	139.8	75%	0.749	75%	0.749	S	S	*	*			trans	94.9	140.9	149.2	-73.3	155	0	0	0	121.7
13	D	29.1	Very low	30.2	Very low	143 Å²	143	141.6 Å²	141.6	77%	0.765	74%	0.741	S	S	*	*			trans	-65.2	152.3	-177.5	-62	-75.3	0	0	0	116.7
14	Y	26.9	Very low	30.3	Very low	227 Å²	227	145.5 Å²	145.5	89%	0.89	74%	0.741	S	S	*	*				-168.6	168.5	108.2	-131.1	-107.8	0	0	0	114.9
15	A	28	Very low	30.2	Very low	84 Å²	84	147 Å²	147	69%	0.694	74%	0.741	S	S	*	*			trans	69.4	162.6	162.3	0	0	0	0	0	119.9
16	S	28.5	Very low	30	Very low	98 Å²	98	146.9 Å²	146.9	69%	0.685	75%	0.746	S	S	*	*				-173.8	113.3	-79.1	50.7	0	0	0	0	113.7
17	R	28.7	Very low	30.1	Very low	245 Å²	245	151.3 Å²	151.3	93%	0.925	76%	0.756	S	S	*	*			trans	63.7	158.7	162.6	-60.8	-178.3	177.8	166.2	1.7	114.7
18	V	29.3	Very low	30	Very low	122 Å²	122	152.5 Å²	152.5	74%	0.739	76%	0.755	S	S	*	*			cis	-154.2	139.4	47	159.4	0	0	0	0	111.9
19	N	29.5	Very low	30.1	Very low	133 Å²	133	154.5 Å²	154.5	71%	0.711	76%	0.757	S	S	*	*			trans	46.1	159.5	156.9	-66.5	31.2	0	0	0	121.6
20	D	29	Very low	30	Very low	106 Å²	106	154 Å²	154	57%	0.567	76%	0.76	S	S	*	*			cis	-143	152.6	-8.8	-124.1	-48.2	0	0	0	108.1	H22	D20-H22 IonicContact OD1-CE1 3.58Å; D20-H22 IonicContact OD1-ND1 3.37Å; D20-H22 PolarHBondContact OD1-ND1 3.37Å
21	S	31.6	Very low	30	Very low	115 Å²	115	155.4 Å²	155.4	80%	0.804	76%	0.759	S	S	*	*				-167.4	171.4	72.1	38.9	0	0	0	0	112.8
22	H	30.9	Very low	30.1	Very low	148 Å²	148	156 Å²	156	69%	0.685	76%	0.761	S	S	*	*			trans	-76.8	144.9	-164.3	-75.7	23.9	0	0	0	114.3	D20	D20-H22 IonicContact OD1-CE1 3.58Å; D20-H22 IonicContact OD1-ND1 3.37Å; D20-H22 PolarHBondContact OD1-ND1 3.37Å
23	K	32.3	Very low	30.1	Very low	164 Å²	164	159.8 Å²	159.8	71%	0.713	77%	0.768	S	S	*	*				63.6	139.9	64.1	-76.3	179.9	172.6	176.2	0	113.3
24	H	32.2	Very low	30.2	Very low	148 Å²	148	161.7 Å²	161.7	69%	0.685	77%	0.769	S	S	*	*			cis	-152.1	-178.3	2.3	-131.7	-18.3	0	0	0	114.3
25	K	32	Very low	30.3	Very low	176 Å²	176	158.6 Å²	158.6	77%	0.765	76%	0.762	S	S	*	*			trans	-52.1	164.8	175.3	-57.6	159.3	176.7	167.9	0	113.4
26	D	29.8	Very low	30.5	Very low	161 Å²	161	162 Å²	162	86%	0.861	76%	0.762	S	S	*	*				-145.1	170.7	128.3	-134.6	-29.1	0	0	0	114.9
27	K	32	Very low	30.5	Very low	165 Å²	165	164.1 Å²	164.1	72%	0.717	76%	0.761	S	S	*	*			trans	-118	152.8	169.6	-64.8	172.9	176.9	175.7	0	108.3
28	Y	30.6	Very low	30.6	Very low	189 Å²	189	160.2 Å²	160.2	74%	0.741	75%	0.752	S	S	*	*				175.5	177.5	110	-109.2	-86.5	0	0	0	113
29	K	30.7	Very low	30.7	Very low	179 Å²	179	162.4 Å²	162.4	78%	0.778	75%	0.752	S	S	*	*			trans	-51.8	149.9	177.9	-56.8	151.8	-177.4	170.7	0	113.4
30	D	30.4	Very low	30.7	Very low	163 Å²	163	166.3 Å²	166.3	87%	0.872	76%	0.763	S	S	*	*			trans	-94.6	158	150.5	-109.5	-43.9	0	0	0	111.8
31	K	30.8	Very low	30.9	Very low	189 Å²	189	167.5 Å²	167.5	82%	0.822	77%	0.769	S	S	*	*			trans	-138.3	156.1	177	-113.7	-168.4	175.5	-167.8	0	109.9
32	E	30.6	Very low	31	Very low	174 Å²	174	170.2 Å²	170.2	81%	0.813	77%	0.767	S	S	*	*			trans	-58.3	153.6	167.1	-53	165.3	97.8	0	0	111.6
33	Y	29.2	Very low	30.9	Very low	227 Å²	227	169.6 Å²	169.6	89%	0.89	76%	0.764	S	S	*	*				-161.3	164.1	126	-110.3	-72	0	0	0	112.8
34	K	30.6	Very low	30.8	Very low	182 Å²	182	171.5 Å²	171.5	79%	0.791	77%	0.767	S	S	*	*			trans	-106.2	165.5	180	-63.6	169.1	179.9	168.8	0	111.5
35	H	29.5	Very low	30.6	Very low	162 Å²	162	169.8 Å²	169.8	75%	0.75	76%	0.759	S	S	*	*			trans	135.5	123.6	146.5	-84.3	-104.2	0	0	0	110.8
36	K	31.5	Very low	30.5	Very low	157 Å²	157	168.8 Å²	168.8	68%	0.683	75%	0.754	S	S	*	*				88.8	107.5	59.4	-102.9	-170.8	168.8	-90.9	0	113.9
37	E	29.1	Very low	30.4	Very low	142 Å²	142	165.9 Å²	165.9	66%	0.664	75%	0.747	S	S	*	*			trans	42	122.8	135.7	-59	169	127.5	0	0	121
38	H	31.4	Very low	30.2	Very low	162 Å²	162	166.6 Å²	166.6	75%	0.75	75%	0.75	S	S	*	*				-172.2	143.2	103.3	-111.1	-55.6	0	0	0	117.1
39	K	31.2	Very low	30.2	Very low	169 Å²	169	166.5 Å²	166.5	74%	0.735	76%	0.756	S	S	*	*			trans	45.4	124.9	142.9	-85.7	174.2	173.4	178.9	0	121.9
40	K	29.8	Very low	29.9	Very low	214 Å²	214	161.3 Å²	161.3	93%	0.93	75%	0.753	S	S	*	*				-147.4	167.9	109.9	-124.4	177.2	-177.5	-179.7	0	110.7
41	D	33.4	Very low	29.8	Very low	132 Å²	132	161.5 Å²	161.5	71%	0.706	75%	0.754	S	S	*	*			trans	-146.2	158.8	-158.9	-129.4	-40.8	0	0	0	111.5
42	K	33.6	Very low	29.9	Very low	172 Å²	172	157 Å²	157	75%	0.748	75%	0.747	S	S	*	*			trans	67.4	156.2	169.2	-67.3	172.6	157.9	-130	0	117.3
43	E	28.7	Very low	29.9	Very low	135 Å²	135	155 Å²	155	63%	0.631	74%	0.742	S	S	*	*			cis	-152.3	177.1	3.1	-133.2	158.4	-140.2	0	0	114.6
44	R	29.3	Very low	30.2	Very low	204 Å²	204	150.7 Å²	150.7	77%	0.77	73%	0.729	S	S	*	*			trans	-9.5	161.5	157.9	-74.2	179.5	136.7	144.8	-0.7	121.1
45	E	29.1	Very low	30.5	Very low	112 Å²	112	149.3 Å²	149.3	52%	0.523	72%	0.723	S	S	.	*			cis	-162.2	164.9	6.1	-126.4	-178	-162.9	0	0	115.7
46	K	29.2	Very low	30.7	Very low	154 Å²	154	146 Å²	146	67%	0.67	71%	0.711	S	S	*	*			trans	48	118.2	144.4	-78.7	174	-164.4	141.8	0	125.2
47	S	27.5	Very low	30.9	Very low	100 Å²	100	144.9 Å²	144.9	70%	0.699	71%	0.712	S	S	*	*				65	134.6	125.2	74.4	0	0	0	0	121.3
48	K	28.8	Very low	31.1	Very low	181 Å²	181	143.7 Å²	143.7	79%	0.787	71%	0.706	S	S	*	*				-172.6	164.3	69.5	-86.6	-179.2	-179.9	175.2	0	112
49	H	29.4	Very low	31.2	Very low	186 Å²	186	144 Å²	144	86%	0.861	70%	0.701	S	S	*	*			trans	26.9	140	146.2	-61.2	70.4	0	0	0	121.1
50	G	24.8	Very low	31.3	Very low	70 Å²	70	144.2 Å²	144.2	72%	0.722	70%	0.702	S	S	*	*			cis	177.4	-158.2	5.2	0	0	0	0	0	114.3
51	N	27.4	Very low	31.3	Very low	167 Å²	167	138.4 Å²	138.4	89%	0.893	69%	0.688	S	S	*	*			trans	-47	163.1	-178.5	-59	-3.3	0	0	0	114.9
52	S	32.9	Very low	31.2	Very low	95 Å²	95	140.5 Å²	140.5	66%	0.664	69%	0.691	S	S	*	*			cis	-148.1	-175.1	26.5	71.7	0	0	0	0	112.2
53	D	31.2	Very low	31.1	Very low	132 Å²	132	137.9 Å²	137.9	71%	0.706	68%	0.681	S	S	*	*			cis	-149.9	172	16.6	-128.3	-44.3	0	0	0	116.7
54	H	35.5	Very low	31.2	Very low	137 Å²	137	138.9 Å²	138.9	63%	0.634	68%	0.684	S	S	*	*			trans	-21.1	139.6	176.4	-85	-142	0	0	0	120.4
55	K	36.2	Very low	31.3	Very low	152 Å²	152	135.5 Å²	135.5	66%	0.661	68%	0.677	S	S	*	*				72	160	60.8	-64.1	179	96.1	-131.7	0	112.5
56	D	35.8	Very low	31.4	Very low	92 Å²	92	137.2 Å²	137.2	49%	0.492	68%	0.682	S	S	.	*			cis	-151.5	168.6	10.6	-126.4	-9.7	0	0	0	107.6
57	L	33.9	Very low	31.3	Very low	134 Å²	134	137.3 Å²	137.3	70%	0.702	69%	0.687	S	S	*	*			cis	-119.6	-100.1	14.9	-80.1	92.5	0	0	0	116.1
58	E	34.2	Very low	31.4	Very low	117 Å²	117	140.2 Å²	140.2	55%	0.547	69%	0.687	S	S	.	*			trans	-156	-166.9	-138.8	-76.6	-163.6	55.5	0	0	112.7
59	R	34.3	Very low	31.4	Very low	169 Å²	169	138.8 Å²	138.8	64%	0.638	68%	0.683	S	S	*	*			cis	-163.5	114.9	20.9	-166.3	158.3	-98.9	-175.9	-0.6	117
60	K	31.9	Very low	31.2	Very low	173 Å²	173	137.7 Å²	137.7	75%	0.752	68%	0.675	S	S	*	*			trans	66.1	151.7	150.5	-69.8	174	-168.1	178.5	0	118.4
61	S	30.4	Very low	31.3	Very low	92 Å²	92	140.6 Å²	140.6	64%	0.643	68%	0.675	S	S	*	*			cis	-173	151.6	-13.4	49.3	0	0	0	0	112.1
62	K	31.6	Very low	31.1	Very low	177 Å²	177	136.3 Å²	136.3	77%	0.77	67%	0.669	S	S	*	*			trans	49.9	145.8	139.2	-72.4	177.9	163.3	-84.7	0	120.9
63	E	30.4	Very low	30.8	Very low	117 Å²	117	138 Å²	138	55%	0.547	67%	0.671	S	S	.	*			cis	-162.9	163.8	-20.7	-126.6	-179.9	133.8	0	0	109.4
64	K	31.1	Very low	30.6	Very low	156 Å²	156	139.9 Å²	139.9	68%	0.678	67%	0.673	S	S	*	*			trans	5.6	151.4	138.8	-65.9	178.8	-163.1	143.9	0	119.6
65	E	31.9	Very low	30.3	Very low	133 Å²	133	138.6 Å²	138.6	62%	0.621	67%	0.671	S	S	*	*			cis	-166	167	11.1	-126.5	-174.2	176.9	0	0	115.1
66	K	30.4	Very low	29.9	Very low	147 Å²	147	138.8 Å²	138.8	64%	0.639	67%	0.672	S	S	*	*			trans	50.5	117.9	144	-78	172.5	-168	140	0	123.8
67	M	28.2	Very low	29.6	Very low	156 Å²	156	143 Å²	143	77%	0.768	69%	0.688	S	S	*	*				73.3	129.7	119	-75.8	-165.4	173.7	0	0	124.4
68	K	28.7	Very low	29.3	Very low	162 Å²	162	144.9 Å²	144.9	70%	0.704	69%	0.691	S	S	*	*				98.7	117.3	127.3	-87.2	178.5	168.8	-174	0	122.3
69	H	28.7	Very low	29	Very low	150 Å²	150	145.9 Å²	145.9	69%	0.694	70%	0.695	S	S	*	*			trans	84.8	122.1	135.7	-75	-54.5	0	0	0	123.7
70	K	26.3	Very low	28.7	Very low	163 Å²	163	145 Å²	145	71%	0.709	70%	0.696	S	S	*	*			trans	88.2	124.6	130.8	-81.1	-177	153.4	-91	0	121.9
71	D	26.2	Very low	28.4	Very low	132 Å²	132	147.9 Å²	147.9	71%	0.706	70%	0.702	S	S	*	*				47.6	120.4	128	-44	-19.7	0	0	0	120
72	G	23.3	Very low	28.3	Very low	76 Å²	76	153.1 Å²	153.1	78%	0.784	71%	0.714	S	S	*	*			trans	-170	12.6	-178.7	0	0	0	0	0	124.2
73	N	26.8	Very low	28.1	Very low	132 Å²	132	151.6 Å²	151.6	71%	0.706	71%	0.709	S	S	*	*			trans	42.2	120.5	148.3	-163.9	34.2	0	0	0	122.4
74	K	26.4	Very low	27.9	Very low	170 Å²	170	155.6 Å²	155.6	74%	0.739	73%	0.728	S	S	*	*			trans	71.1	163.8	156.2	-76.1	168	-168.2	-179.3	0	118.3
75	D	28.8	Very low	27.8	Very low	110 Å²	110	154.7 Å²	154.7	59%	0.588	72%	0.724	S	S	*	*			cis	-144	-176.5	4.2	-137.9	-32.1	0	0	0	115.1
76	K	28.2	Very low	27.7	Very low	156 Å²	156	154.1 Å²	154.1	68%	0.678	73%	0.729	S	S	*	*			trans	-65.9	153.5	-166.1	-31.5	100.9	-175.2	135.7	0	118.7
77	H	29.7	Very low	27.7	Very low	182 Å²	182	156 Å²	156	84%	0.843	74%	0.738	S	S	*	*				-153.5	128.6	125.8	-108.9	-94.2	0	0	0	107.1
78	K	27.6	Very low	28	Very low	173 Å²	173	153.9 Å²	153.9	75%	0.752	74%	0.735	S	S	*	*			cis	92.5	107.3	23	-165.3	-169.3	178.8	-171.8	0	114.5
79	E	27.4	Very low	27.8	Very low	137 Å²	137	156.3 Å²	156.3	64%	0.64	75%	0.746	S	S	*	*			trans	142.2	145	155.6	-69.8	-119.4	134.7	0	0	109.3
80	K	27.8	Very low	27.7	Very low	152 Å²	152	156.6 Å²	156.6	66%	0.661	75%	0.753	S	S	*	*			cis	-158.4	154.5	-13.9	-119.5	179.3	-169.7	135.1	0	109.7
81	R	26.9	Very low	27.6	Very low	232 Å²	232	152 Å²	152	88%	0.875	75%	0.752	S	S	*	*			trans	15.7	143.8	152.5	-73.4	177	172.6	172.8	-3.8	120.3
82	K	27.2	Very low	27.6	Very low	203 Å²	203	155.7 Å²	155.7	88%	0.883	76%	0.762	S	S	*	*			cis	-134.8	156.7	45	-67.1	179.4	177.4	179.6	0	115.1
83	E	28	Very low	27.7	Very low	144 Å²	144	159.4 Å²	159.4	67%	0.673	76%	0.762	S	S	*	*			trans	-94	156.8	159.1	-55.2	176.6	115.2	0	0	109.7	K85	E83-K85 WeakPolarHBondContact OE1-CE 3.38Å; E83-K85 IonicContact OE1-NZ 3.72Å; E83-K85 PolarHBondContact OE1-NZ 3.3Å; E83-K85 IonicContact OE2-NZ 3.88Å; E83-K85 PolarHBondContact OE2-NZ 3.37Å
84	E	26.4	Very low	27.7	Very low	201 Å²	201	162.1 Å²	162.1	94%	0.939	77%	0.768	S	S	*	*			trans	-140.7	166.7	137.2	-151	154.1	-123.2	0	0	108.8
85	K	29.4	Very low	27.9	Very low	137 Å²	137	163.6 Å²	163.6	60%	0.596	77%	0.774	S	S	*	*			trans	-147.6	159.3	-142.9	-108.5	169.7	179.8	155.8	0	115.1	E83	E83-K85 WeakPolarHBondContact OE1-CE 3.38Å; E83-K85 IonicContact OE1-NZ 3.72Å; E83-K85 PolarHBondContact OE1-NZ 3.3Å; E83-K85 IonicContact OE2-NZ 3.88Å; E83-K85 PolarHBondContact OE2-NZ 3.37Å
86	V	29.1	Very low	27.7	Very low	121 Å²	121	166.6 Å²	166.6	73%	0.733	79%	0.785	S	S	*	*			trans	74.3	135.7	148.6	156.4	0	0	0	0	115.4
87	K	31.1	Very low	27.7	Very low	188 Å²	188	168.7 Å²	168.7	82%	0.817	79%	0.794	S	S	*	*			cis	-153.5	-180	0.6	-117.3	179	-170.6	179.5	0	110.7
88	P	33.1	Very low	27.4	Very low	111 Å²	111	169.3 Å²	169.3	72%	0.721	80%	0.797	S	S	*	*			trans	-101.7	-177.1	-161.1	42.4	-41.3	0	0	0	115.5
89	F	24.5	Very low	27.4	Very low	212 Å²	212	168.7 Å²	168.7	93%	0.93	80%	0.802	S	S	*	*			trans	-138.6	158.7	149.2	-136.7	-94.2	0	0	0	112.9
90	D	26.5	Very low	27.4	Very low	157 Å²	157	166 Å²	166	84%	0.84	81%	0.811	S	S	*	*			trans	-86.1	162.2	-171.7	-132.7	-49.3	0	0	0	113.5
91	G	25.1	Very low	27.3	Very low	67 Å²	67	168.6 Å²	168.6	69%	0.691	82%	0.823	S	S	*	*			trans	177.6	29.8	-176.3	0	0	0	0	0	125.2
92	K	25.6	Very low	27.2	Very low	208 Å²	208	161.7 Å²	161.7	90%	0.904	82%	0.815	S	S	*	*			trans	54.4	118.8	160.8	-70.1	178.2	177.8	172.1	0	120.4
93	I	26.6	Very low	27.2	Very low	155 Å²	155	157.3 Å²	157.3	80%	0.795	81%	0.81	S	S	*	*			trans	-58.1	136.4	165.6	-62.2	158.7	0	0	0	112.6
94	K	26.3	Very low	27.3	Very low	189 Å²	189	156.3 Å²	156.3	82%	0.822	82%	0.816	S	S	*	*			trans	-124.5	132.8	145.4	-93.1	-172.5	174	-176.9	0	109.4
95	K	30.3	Very low	27.4	Very low	200 Å²	200	152.1 Å²	152.1	87%	0.87	81%	0.806	S	S	*	*			trans	-83.1	115.6	168.5	-77.1	-178.7	174.2	178.4	0	109
96	E	25.7	Very low	27.2	Very low	174 Å²	174	154.4 Å²	154.4	81%	0.813	82%	0.819	S	S	*	*			trans	-109.6	157	156.8	-64.6	-163.6	157.4	0	0	109.5
97	K	27.1	Very low	27.1	Very low	200 Å²	200	154.8 Å²	154.8	87%	0.87	82%	0.821	S	S	*	*			trans	-95.9	139.6	-166.4	-63.7	175.7	-178.9	175.5	0	110.5	N99	K97-N99 PolarHBondContact O-N 3.31Å
98	E	24.5	Very low	26.8	Very low	194 Å²	194	154.7 Å²	154.7	91%	0.907	82%	0.821	S	S	*	*			trans	-56.7	124.9	164.8	-68.5	176.9	98.3	0	0	110.4
99	N	26.7	Very low	26.5	Very low	160 Å²	160	155 Å²	155	86%	0.856	83%	0.826	S	S	*	*			trans	-134.6	92	162.1	-99.2	-10.4	0	0	0	107	K97 F101	K97-N99 PolarHBondContact O-N 3.31Å; N99-F101 PolarHBondContact O-N 3.19Å; N99-F101 VanDerWaalsContact O-N 3.09Å
100	G	27.9	Very low	26.5	Very low	81 Å²	81	153.5 Å²	153.5	84%	0.835	82%	0.821	S	S	*	*			trans	-74.3	96	-177.2	0	0	0	0	0	112.5
101	F	24.9	Very low	26.5	Very low	207 Å²	207	151.8 Å²	151.8	91%	0.908	82%	0.819	S	S	*	*			trans	-149.9	83.1	160.7	-132.8	-85.4	0	0	0	110.5	N99	N99-F101 PolarHBondContact O-N 3.19Å; N99-F101 VanDerWaalsContact O-N 3.09Å
102	A	26	Very low	26.5	Very low	87 Å²	87	156.5 Å²	156.5	72%	0.719	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-79.1	130.4	176.9	0	0	0	0	0	110.9
103	S	26	Very low	26.4	Very low	111 Å²	111	154.8 Å²	154.8	78%	0.776	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-70.8	139.3	170.8	-63.9	0	0	0	0	110.6
104	P	31	Very low	26.2	Very low	122 Å²	122	153.2 Å²	153.2	79%	0.792	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-59.2	137.5	174.2	-24.1	34.2	0	0	0	111.9
105	P	27.6	Very low	26	Very low	113 Å²	113	155.1 Å²	155.1	73%	0.734	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-69.7	154.4	179	28.4	-34.3	0	0	0	112.3	V107	P105-V107 PolarHBondContact O-N 2.77Å
106	H	25.7	Very low	25.6	Very low	186 Å²	186	153 Å²	153	86%	0.861	82%	0.818	S	S	*	*			trans	-72.5	112.8	-179.4	-160.4	-53.4	0	0	0	110.3	K108	H106-K108 PolarHBondContact O-N 2.7Å
107	V	27.5	Very low	25.4	Very low	129 Å²	129	150.4 Å²	150.4	78%	0.782	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-61.1	133.4	170.5	178.6	0	0	0	0	108.7	P105	P105-V107 PolarHBondContact O-N 2.77Å
108	K	24.5	Very low	25.3	Very low	186 Å²	186	146.8 Å²	146.8	81%	0.809	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-88.5	142.8	169.7	-70.4	-179.3	177.5	178.7	0	109.4	H106	H106-K108 PolarHBondContact O-N 2.7Å
109	S	26.4	Very low	25.3	Very low	118 Å²	118	147.2 Å²	147.2	83%	0.825	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-78.4	134	164.5	49.5	0	0	0	0	110.2
110	E	24.7	Very low	25.2	Very low	180 Å²	180	150.4 Å²	150.4	84%	0.841	82%	0.817	S	S	*	*			trans	-107.3	160.2	160.7	-78.1	-171.7	167.9	0	0	109.2
111	P	26.7	Very low	24.9	Very low	121 Å²	121	154.8 Å²	154.8	79%	0.786	82%	0.816	S	S	*	*			trans	-87.5	164.9	-142.4	33.3	-37	0	0	0	115.9
112	D	24.6	Very low	25.2	Very low	165 Å²	165	154.6 Å²	154.6	88%	0.882	82%	0.815	S	S	*	*			trans	-68	143.4	171.4	-53	-83.3	0	0	0	112.3
113	D	23.8	Very low	25.1	Very low	173 Å²	173	156.3 Å²	156.3	93%	0.925	82%	0.822	S	S	*	*			trans	-106.6	136.7	161.5	-111.5	-39.5	0	0	0	109.1
114	D	22.1	Very low	25.2	Very low	122 Å²	122	159 Å²	159	65%	0.652	83%	0.826	S	S	*	*			trans	-91.1	136.2	-163.1	-167.1	-1.9	0	0	0	113.2	H116	D114-H116 IonicContact OD1-CE1 2.67Å; D114-H116 IonicContact OD1-ND1 3.73Å; D114-H116 PolarHBondContact OD1-ND1 2.89Å; D114-H116 IonicContact OD2-CE1 2.61Å; D114-H116 IonicContact OD2-ND1 2.8Å
115	Y	22.7	Very low	25.1	Very low	229 Å²	229	162.5 Å²	162.5	90%	0.898	83%	0.829	S	S	*	*			trans	-148.1	107	166.2	-132.9	-87.6	0	0	0	112.9
116	H	21.8	Very low	25.3	Very low	155 Å²	155	166.6 Å²	166.6	72%	0.718	83%	0.83	S	S	*	*			trans	-77.7	131.1	-177.4	-83.5	10	0	0	0	114.3	D114	D114-H116 IonicContact OD1-CE1 2.67Å; D114-H116 IonicContact OD1-ND1 3.73Å; D114-H116 PolarHBondContact OD1-ND1 2.89Å; D114-H116 IonicContact OD2-CE1 2.61Å; D114-H116 IonicContact OD2-ND1 2.8Å
117	S	21.9	Very low	25.4	Very low	120 Å²	120	164.6 Å²	164.6	84%	0.839	82%	0.821	S	S	*	*			trans	-160.6	163.6	153.5	-101.8	0	0	0	0	112.8
118	P	23.9	Very low	25.4	Very low	124 Å²	124	167.7 Å²	167.7	81%	0.805	82%	0.819	S	S	*	*				-102.1	170.2	-123.9	36.2	-37.3	0	0	0	117.5
119	K	24.6	Very low	25.7	Very low	203 Å²	203	164.1 Å²	164.1	88%	0.883	81%	0.808	S	S	*	*			trans	-60.3	133.7	-176.4	-59.4	163.5	-175.5	167.9	0	112.7
120	Y	24.1	Very low	25.7	Very low	226 Å²	226	165.7 Å²	165.7	89%	0.886	80%	0.803	S	S	*	*			trans	-134.3	160.7	156.5	-126.6	-93.2	0	0	0	111.7
121	Q	23.3	Very low	26.1	Very low	174 Å²	174	161.3 Å²	161.3	81%	0.813	79%	0.785	S	S	*	*			trans	-87.9	132.6	-156.7	-68.3	171.8	-44.5	0	0	115.7
122	K	30.9	Very low	26.2	Very low	202 Å²	202	165 Å²	165	88%	0.878	79%	0.785	S	S	*	*			trans	55.3	67.6	131.2	-157.3	179.3	-171.8	178.5	0	117.2
123	S	22.3	Very low	26.2	Very low	124 Å²	124	163.9 Å²	163.9	87%	0.867	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-75.9	146.2	169.5	55.9	0	0	0	0	113.4
124	L	28.5	Very low	26.3	Very low	168 Å²	168	160.7 Å²	160.7	88%	0.88	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-91.5	165.3	-176.4	-76.4	163.3	0	0	0	113	R126	L124-R126 PolarHBondContact O-N 2.77Å
125	K	28.8	Very low	26.4	Very low	195 Å²	195	162.2 Å²	162.2	85%	0.848	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-57.1	129.7	175.9	-63	173.9	-177.7	171.4	0	111
126	R	31.9	Very low	26.6	Very low	199 Å²	199	159.1 Å²	159.1	75%	0.751	77%	0.766	S	S	*	*			trans	-104.7	134.6	155.7	-85.2	178.5	158.9	139.2	-6.1	109.1	L124 D248	L124-R126 PolarHBondContact O-N 2.77Å; R126-D248 IonicContact CZ-OD2 3.88Å; R126-D248 VanDerWaalsContact CZ-OD2 3.3Å; R126-D248 IonicContact NE-OD2 2.71Å; R126-D248 PolarHBondContact NE-OD2 2.82Å; R126-D248 IonicContact NH2-OD1 2.82Å; R126-D248 PolarHBondContact NH2-OD1 2.97Å; R126-D248 IonicContact NH2-OD2 3.2Å; R126-D248 PolarHBondContact NH2-OD2 2.89Å
127	E	28.1	Very low	26.9	Very low	143 Å²	143	158.5 Å²	158.5	67%	0.668	76%	0.761	S	S	*	*			trans	-102.3	166.3	174	-65.8	-168	147.3	0	0	111.3	K300	E127-K300 IonicContact OE2-NZ 3.25Å; E127-K300 PolarHBondContact OE2-NZ 3.23Å
128	R	27.9	Very low	27.2	Very low	195 Å²	195	157.8 Å²	157.8	74%	0.736	75%	0.754	S	S	*	*			trans	-89.3	147.3	177.4	173.1	-175.9	175.6	-123.5	-0.9	109.8	E130 E133	R128-E130 PolarHBondContact O-N 3.24Å; R128-E130 VanDerWaalsContact O-N 3.11Å; R128-E133 IonicContact NH2-OE2 2.76Å; R128-E133 PolarHBondContact NH2-OE2 2.98Å
129	D	29.6	Very low	27.4	Very low	111 Å²	111	161.3 Å²	161.3	59%	0.594	76%	0.757	S	S	*	*			trans	-54	112	170.9	-54.2	-48.1	0	0	0	112	D131	D129-D131 VanDerWaalsContact C-N 3.32Å
130	E	28.2	Very low	27.4	Very low	151 Å²	151	161.6 Å²	161.6	71%	0.706	76%	0.758	S	S	*	*			trans	-94.6	54.5	159.3	-77	-157.9	149.5	0	0	109.7	R128 K137	R128-E130 PolarHBondContact O-N 3.24Å; R128-E130 VanDerWaalsContact O-N 3.11Å; E130-K137 IonicContact OE1-NZ 3.76Å; E130-K137 PolarHBondContact OE1-NZ 2.67Å; E130-K137 IonicContact OE2-NZ 3.16Å
131	D	31.3	Very low	27.5	Very low	88 Å²	88	157.8 Å²	157.8	47%	0.471	75%	0.751	S	S	.	*	S	Bend	trans	-122.5	126	168.9	-98.4	-47.4	0	0	0	109.8	D129 R299	D129-D131 VanDerWaalsContact C-N 3.32Å; D131-R299 IonicContact OD2-CZ 2.71Å; D131-R299 IonicContact OD2-NH2 2.95Å; D131-R299 PolarHBondContact OD2-NH2 3.2Å
132	Y	30	Very low	27.6	Very low	199 Å²	199	158.6 Å²	158.6	78%	0.78	75%	0.752	S	S	*	*	S	Bend	trans	73.9	6.9	-178.7	-62.7	-84.2	0	0	0	120.6
133	E	24.2	Very low	27.3	Very low	141 Å²	141	154.8 Å²	154.8	66%	0.659	75%	0.746	S	S	*	*			trans	-110	86.3	153.3	-83	-166.4	133.9	0	0	110.9	R128 E135	R128-E133 IonicContact NH2-OE2 2.76Å; R128-E133 PolarHBondContact NH2-OE2 2.98Å; E133-E135 PolarHBondContact O-N 3.14Å
134	A	25.1	Very low	27.5	Very low	105 Å²	105	157.5 Å²	157.5	87%	0.868	75%	0.745	S	S	*	*			trans	-75.5	65.8	174.5	0	0	0	0	0	111.8	F136	A134-F136 PolarHBondContact O-N 2.99Å
135	E	25.3	Very low	27.3	Very low	154 Å²	154	156.6 Å²	156.6	72%	0.72	74%	0.741	S	S	*	*			trans	-59.7	109.1	167.4	-79.1	-152.9	134.4	0	0	109.7	E133 K137	E133-E135 PolarHBondContact O-N 3.14Å; E135-K137 PolarHBondContact O-N 2.89Å
136	F	27.5	Very low	27.2	Very low	165 Å²	165	155.4 Å²	155.4	72%	0.724	74%	0.744	S	S	*	*			trans	-69.9	79.3	178	-171.1	-93.6	0	0	0	110.1	A134 P138	A134-F136 PolarHBondContact O-N 2.99Å; F136-P138 VanDerWaalsContact O-CD 3.23Å; F136-P138 WeakPolarHBondContact O-CD 2.91Å
137	K	27.2	Very low	27.1	Very low	141 Å²	141	155 Å²	155	61%	0.613	75%	0.747	S	S	*	*			trans	-51.2	106.9	179.7	-72.4	162.8	-174.8	164.9	0	109	E130 E135	E130-K137 IonicContact OE1-NZ 3.76Å; E130-K137 PolarHBondContact OE1-NZ 2.67Å; E130-K137 IonicContact OE2-NZ 3.16Å; E135-K137 PolarHBondContact O-N 2.89Å
138	P	28.1	Very low	27	Very low	105 Å²	105	157.9 Å²	157.9	68%	0.682	76%	0.758	S	S	*	*	P	Polyproline II helix	trans	-69.6	147.9	-170.9	27.4	-34.2	0	0	0	111.1	F136 K140	F136-P138 VanDerWaalsContact O-CD 3.23Å; F136-P138 WeakPolarHBondContact O-CD 2.91Å; P138-K140 PolarHBondContact O-N 3.48Å
139	K	27.4	Very low	26.8	Very low	199 Å²	199	153.6 Å²	153.6	87%	0.865	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-56.2	132.1	179.9	-66.2	-179.5	-179.8	177	0	110.4	I141	K139-I141 PolarHBondContact O-N 3.31Å; K139-I141 VanDerWaalsContact O-N 3.15Å
140	K	25	Very low	26.6	Very low	209 Å²	209	158.4 Å²	158.4	91%	0.909	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-56.4	119.7	167.8	-71.6	-178	179.1	178	0	108.6	P138 K142	P138-K140 PolarHBondContact O-N 3.48Å; K140-K142 PolarHBondContact O-N 2.95Å
141	I	26.6	Very low	26.5	Very low	146 Å²	146	161.1 Å²	161.1	75%	0.749	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-63.7	120.2	167.2	-64.3	170.9	0	0	0	106.8	K139	K139-I141 PolarHBondContact O-N 3.31Å; K139-I141 VanDerWaalsContact O-N 3.15Å
142	K	25	Very low	26.1	Very low	191 Å²	191	168.1 Å²	168.1	83%	0.83	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-74.9	124.7	160.2	-76.3	-173.1	175.3	-174.7	0	106.5	K140 E144	K140-K142 PolarHBondContact O-N 2.95Å; K142-E144 PolarHBondContact O-N 3.47Å
143	T	25.4	Very low	25.8	Very low	122 Å²	122	167.6 Å²	167.6	75%	0.748	81%	0.811	S	S	*	*			trans	-69.9	113.9	166.7	-28.3	0	0	0	0	107.7
144	E	25.7	Very low	25.7	Very low	181 Å²	181	168.5 Å²	168.5	85%	0.846	82%	0.815	S	S	*	*			trans	-73.8	139.5	163.3	-71.9	-176.7	126.4	0	0	108.4	K142	K142-E144 PolarHBondContact O-N 3.47Å
145	N	25.4	Very low	25.6	Very low	148 Å²	148	170.3 Å²	170.3	79%	0.791	81%	0.806	S	S	*	*			trans	-94.3	110.5	178.9	-77.5	-62.8	0	0	0	108.8	K147	N145-K147 PolarHBondContact O-N 3.32Å
146	D	25.7	Very low	25.5	Very low	170 Å²	170	170.2 Å²	170.2	91%	0.909	81%	0.81	S	S	*	*			trans	-56.8	127.6	167.5	-85.9	-56.8	0	0	0	111.1
147	K	29.7	Very low	25.3	Very low	191 Å²	191	170.9 Å²	170.9	83%	0.83	82%	0.816	S	S	*	*			trans	-134.9	100	170.8	-90.2	-169.9	175.1	179.1	0	111.5	N145	N145-K147 PolarHBondContact O-N 3.32Å
148	K	25.7	Very low	25.1	Very low	203 Å²	203	170.4 Å²	170.4	88%	0.883	82%	0.82	S	S	*	*			trans	51.6	109.4	152.1	-69	-171.4	170.8	-172.8	0	117.2
149	A	25	Very low	25	Very low	106 Å²	106	172.3 Å²	172.3	88%	0.876	82%	0.823	S	S	*	*			trans	-52.4	148.3	150.4	0	0	0	0	0	111.7
150	K	26.1	Very low	24.9	Very low	211 Å²	211	172.2 Å²	172.2	92%	0.917	82%	0.822	S	S	*	*			trans	-126.2	149.2	164.5	-134.9	-177.3	-179	-170.8	0	107.9
151	K	25.2	Very low	24.9	Very low	208 Å²	208	168.1 Å²	168.1	90%	0.904	82%	0.82	S	S	*	*			trans	-58.2	145.4	-169.7	-78.9	-175.7	169.3	-175.5	0	113.5
152	R	23	Very low	24.8	Very low	235 Å²	235	170.8 Å²	170.8	89%	0.887	83%	0.826	S	S	*	*			trans	-57.1	142.9	151.6	-97.1	179.2	166.5	169.7	-6.5	110.1
153	K	23.2	Very low	24.8	Very low	188 Å²	188	171 Å²	171	82%	0.817	83%	0.827	S	S	*	*			trans	-125	168.3	137.4	-125.1	-165.2	169.9	-130.7	0	107.4
154	Q	22.8	Very low	24.7	Very low	160 Å²	160	170.7 Å²	170.7	75%	0.748	83%	0.825	S	S	*	*			trans	-115.7	-171.1	-172.4	-159.4	159.9	-35.1	0	0	109.3
155	E	22.6	Very low	24.7	Very low	144 Å²	144	171.7 Å²	171.7	67%	0.673	83%	0.827	S	S	*	*			trans	71.2	137.2	-174.9	-56	122.4	-137.1	0	0	113.7
156	D	23.1	Very low	24.6	Very low	151 Å²	151	170.8 Å²	170.8	81%	0.807	83%	0.832	S	S	*	*			cis	-155.4	-166.5	-13.6	-113	-19	0	0	0	112.1
157	E	23.2	Very low	24.7	Very low	180 Å²	180	171.9 Å²	171.9	84%	0.841	83%	0.829	S	S	*	*			trans	-59.5	170.1	178	-53	-167.1	118.9	0	0	112.9
158	D	23.5	Very low	24.5	Very low	131 Å²	131	173 Å²	173	70%	0.701	83%	0.834	S	S	*	*			cis	-174.1	177.2	45.3	-165.5	9.8	0	0	0	114
159	I	26.8	Very low	24.3	Very low	145 Å²	145	167.1 Å²	167.1	74%	0.744	83%	0.83	S	S	*	*			trans	76.8	135.1	153.6	-81.9	155.2	0	0	0	121.5
160	K	24.9	Very low	24.4	Very low	196 Å²	196	171.7 Å²	171.7	85%	0.852	83%	0.833	S	S	*	*			trans	-89.6	160.4	-179.8	-54.2	142.5	-179.8	158	0	111.8
161	S	25.1	Very low	24.4	Very low	124 Å²	124	166.4 Å²	166.4	87%	0.867	83%	0.829	S	S	*	*				-167.6	163.1	124.3	50	0	0	0	0	113.5
162	K	24.8	Very low	24.6	Very low	202 Å²	202	161.7 Å²	161.7	88%	0.878	83%	0.829	S	S	*	*			trans	-124.9	143.2	176.9	-65.5	174.4	176.9	174.7	0	109.2
163	K	23.6	Very low	24.9	Very low	196 Å²	196	157.6 Å²	157.6	85%	0.852	82%	0.824	S	S	*	*				176.4	121.1	122	-101.4	173.8	179.3	180	0	116.7
164	T	24	Very low	25.2	Very low	115 Å²	115	151 Å²	151	71%	0.706	81%	0.81	S	S	*	*			trans	42.7	125.9	136.3	47.3	0	0	0	0	125.3
165	K	25.1	Very low	25.5	Very low	202 Å²	202	153.4 Å²	153.4	88%	0.878	82%	0.818	S	S	*	*			trans	69.4	112.8	131.5	-71.8	-177.7	172.8	178.2	0	121.7
166	S	24.4	Very low	25.9	Very low	128 Å²	128	155.5 Å²	155.5	90%	0.895	83%	0.825	S	S	*	*				-154.2	-173.7	122.2	66.9	0	0	0	0	110.2
167	K	26.9	Very low	26.3	Very low	194 Å²	194	158 Å²	158	84%	0.843	83%	0.828	S	S	*	*			trans	-121.2	153.8	-162.2	-84.5	-177.5	175.8	176.3	0	115
168	K	24.8	Very low	26.8	Very low	215 Å²	215	153.5 Å²	153.5	94%	0.935	82%	0.823	S	S	*	*			trans	69.6	130.9	159.8	-75.4	-173.8	171.5	-171.6	0	118.2
169	G	23.2	Very low	27.3	Very low	78 Å²	78	156.8 Å²	156.8	80%	0.804	83%	0.831	S	S	*	*			trans	166.2	134.8	172	0	0	0	0	0	109.5
170	E	25.8	Very low	27.6	Very low	202 Å²	202	158 Å²	158	94%	0.944	83%	0.833	S	S	*	*			trans	-87.9	137.6	-167.1	-61.4	163.4	116.5	0	0	113.9
171	A	27.6	Very low	28	Very low	101 Å²	101	156.8 Å²	156.8	84%	0.835	83%	0.83	S	S	*	*			trans	-169.8	144.4	146.5	0	0	0	0	0	110
172	A	29.2	Very low	28.7	Very low	109 Å²	109	156.8 Å²	156.8	90%	0.901	83%	0.827	S	S	*	*			trans	-87.8	108.2	177.5	0	0	0	0	0	111.5
173	D	27.8	Very low	29.9	Very low	148 Å²	148	155.3 Å²	155.3	79%	0.791	82%	0.824	S	S	*	*			trans	-71.1	141.7	173.4	-171	21.3	0	0	0	111.6
174	G	30.5	Very low	31.5	Very low	50 Å²	50	155.2 Å²	155.2	52%	0.515	83%	0.826	S	S	.	*			trans	-74.7	127.3	-176.7	0	0	0	0	0	111.4	K176	G174-K176 PolarHBondContact O-N 2.85Å
175	K	29.8	Very low	33.9	Very low	211 Å²	211	155.4 Å²	155.4	92%	0.917	82%	0.817	S	S	*	*			trans	-55.6	96.6	171.3	-86.6	-175.3	174.2	176.8	0	110.8	K177	K175-K177 PolarHBondContact O-N 2.84Å
176	K	30.3	Very low	36.9	Very low	187 Å²	187	148.2 Å²	148.2	81%	0.813	79%	0.785	S	S	*	*			trans	-47.7	123.1	161.7	-77.7	168.9	-178.9	159.3	0	107.3	G174 A178	G174-K176 PolarHBondContact O-N 2.85Å; K176-A178 PolarHBondContact O-N 3.17Å
177	K	30.9	Very low	40.1	Very low	203 Å²	203	145.7 Å²	145.7	88%	0.883	76%	0.758	S	S	*	*			trans	-61	114.3	167.4	-80.2	178	176.6	168	0	107.3	K175 K179	K175-K177 PolarHBondContact O-N 2.84Å; K177-K179 PolarHBondContact O-N 2.83Å
178	A	33.4	Very low	43.2	Very low	87 Å²	87	137.1 Å²	137.1	72%	0.719	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-50.1	133.9	157.2	0	0	0	0	0	107.5	K176 Q180	K176-A178 PolarHBondContact O-N 3.17Å; A178-Q180 PolarHBondContact O-N 3.35Å; A178-Q180 VanDerWaalsContact O-N 3.15Å
179	K	33.9	Very low	46.4	Very low	200 Å²	200	128.3 Å²	128.3	87%	0.87	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-59.3	119.1	155.2	-74.7	179.8	175.5	179.3	0	104.6	K177 E181	K177-K179 PolarHBondContact O-N 2.83Å; K179-E181 PolarHBondContact O-N 2.8Å
180	Q	33.7	Very low	49.7	Very low	169 Å²	169	130.8 Å²	130.8	79%	0.79	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-60.3	126.3	157.5	-70.5	-179.9	-79	0	0	105.6	A178	A178-Q180 PolarHBondContact O-N 3.35Å; A178-Q180 VanDerWaalsContact O-N 3.15Å
181	E	33.3	Very low	52.7	Low	172 Å²	172	124.6 Å²	124.6	80%	0.804	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-55.2	147.4	159.5	-66.5	173.6	137.8	0	0	107.7	K179 E183	K179-E181 PolarHBondContact O-N 2.8Å; E181-E183 PolarHBondContact O-N 3.33Å
182	P	40.2	Very low	55.3	Low	123 Å²	123	129 Å²	129	80%	0.799	65%	0.646	S	S	*	*			trans	-62.4	111	176.3	26.7	-32.4	0	0	0	108.1	E184	P182-E184 PolarHBondContact O-N 3.04Å
183	E	49.5	Very low	57.6	Low	172 Å²	172	129.3 Å²	129.3	80%	0.804	62%	0.624	S	S	*	*			trans	-48.8	119.6	170	-72.7	178.5	134.9	0	0	108	E181 K185	E181-E183 PolarHBondContact O-N 3.33Å; E183-K185 PolarHBondContact O-N 2.87Å
184	E	57.9	Low	59.7	Low	194 Å²	194	125.1 Å²	125.1	91%	0.907	60%	0.597	S	S	*	*			trans	-64.1	101.2	-173.8	-172.9	164.4	-142.2	0	0	109	P182 W186	P182-E184 PolarHBondContact O-N 3.04Å; E184-W186 PolarHBondContact O-N 3.48Å
185	K	73.2	Confident	61.6	Low	118 Å²	118	129.5 Å²	129.5	51%	0.513	61%	0.614	S	S	.	*			trans	-79.6	100.4	-161.5	-176	-176.9	176.2	-177	0	109.5	E183 K187	E183-K185 PolarHBondContact O-N 2.87Å; K185-K187 PolarHBondContact O-N 3.43Å
186	W	87.9	Confident	63.8	Low	52 Å²	52	124.6 Å²	124.6	20%	0.197	60%	0.598	C	S	.	*			trans	-33.5	107.6	-177.4	-177.8	37	0	0	0	114	E184 W188 E191 H329 E331 R417	E184-W186 PolarHBondContact O-N 3.48Å; W186-W188 VanDerWaalsContact C-N 3.32Å; W186-W188 HydrophobicContact CD2-CB 4.08Å; W186-W188 HydrophobicContact CE3-CB 4.45Å; W186-W188 HydrophobicContact CH2-CB 4.36Å; W186-W188 HydrophobicContact CZ2-CB 3.93Å; W186-W188 PolarHBondContact O-N 2.85Å; W186-E191 WeakPolarHBondContact CZ2-OE2 3.5Å; W186-E191 VanDerWaalsContact NE1-CD 3.35Å; W186-E191 PolarHBondContact NE1-OE1 3.29Å; W186-H329 AromaticContact CD1-CE1 3.45Å; W186-H329 VanDerWaalsContact CD1-CE1 3.45Å; W186-H329 AromaticContact CD1-ND1 3.74Å; W186-H329 AromaticContact CD1-NE2 3.96Å; W186-H329 HydrophobicContact CD2-CB 4.11Å; W186-H329 AromaticContact CD2-CD2 3.92Å; W186-H329 AromaticContact CD2-CE1 3.92Å; W186-H329 AromaticContact CD2-CG 3.57Å; W186-H329 AromaticContact CD2-ND1 3.57Å; W186-H329 AromaticContact CE2-CD2 3.39Å; W186-H329 AromaticContact CE2-CE1 3.64Å; W186-H329 AromaticContact CE2-CG 3.57Å; W186-H329 AromaticContact CE2-ND1 3.72Å; W186-H329 AromaticContact CE2-NE2 3.47Å; W186-H329 HydrophobicContact CE3-CB 3.73Å; W186-H329 AromaticContact CE3-CG 3.74Å; W186-H329 AromaticContact CG-CE1 3.81Å; W186-H329 AromaticContact CG-ND1 3.6Å; W186-H329 HydrophobicContact CH2-CB 4.02Å; W186-H329 AromaticContact CH2-CD2 3.66Å; W186-H329 AromaticContact CH2-CG 3.88Å; W186-H329 HydrophobicContact CZ2-CB 4.38Å; W186-H329 AromaticContact CZ2-CD2 3.26Å; W186-H329 WeakPolarHBondContact CZ2-CD2 3.42Å; W186-H329 AromaticContact CZ2-CG 3.75Å; W186-H329 AromaticContact CZ2-NE2 3.68Å; W186-H329 HydrophobicContact CZ3-CB 3.68Å; W186-H329 AromaticContact CZ3-CG 3.88Å; W186-H329 AromaticContact NE1-CD2 3.83Å; W186-H329 AromaticContact NE1-CE1 3.36Å; W186-H329 PolarHBondContact NE1-CE1 2.92Å; W186-H329 AromaticContact NE1-ND1 3.82Å; W186-H329 AromaticContact NE1-NE2 3.37Å; W186-H329 PolarHBondContact NE1-NE2 3.33Å; W186-E331 HydrophobicContact CZ3-CG 3.96Å; W186-E331 VanDerWaalsContact CZ3-OE1 3.32Å; W186-E331 WeakPolarHBondContact CZ3-OE1 3.39Å; W186-R417 HydrophobicContact CH2-CB 3.59Å; W186-R417 HydrophobicContact CH2-CG 4.25Å; W186-R417 HydrophobicContact CZ2-CB 4.32Å; W186-R417 HydrophobicContact CZ3-CB 3.76Å
187	K	92.1	Very high	66.4	Low	75 Å²	75	117.4 Å²	117.4	33%	0.326	58%	0.577	S	S	.	*			trans	-87.9	64.9	179.8	-67.3	-160.2	176.5	-158.6	0	111.5	K185 W189 E190 D740	K185-K187 PolarHBondContact O-N 3.43Å; K187-W189 HydrophobicContact CB-CD2 4.35Å; K187-W189 HydrophobicContact CB-CH2 4.44Å; K187-W189 HydrophobicContact CB-CZ2 4.01Å; K187-W189 HydrophobicContact CD-CZ2 4.15Å; K187-W189 HydrophobicContact CG-CH2 4.21Å; K187-W189 HydrophobicContact CG-CZ2 3.66Å; K187-W189 PolarHBondContact O-N 3.16Å; K187-E190 HydrophobicContact CB-CB 4.46Å; K187-E190 HydrophobicContact CB-CG 4.25Å; K187-E190 HydrophobicContact CD-CG 4.25Å; K187-E190 WeakPolarHBondContact CD-OE1 3.48Å; K187-E190 VanDerWaalsContact CD-OE2 3.25Å; K187-E190 WeakPolarHBondContact CD-OE2 3.18Å; K187-E190 IonicContact NZ-OE1 3.63Å; K187-E190 PolarHBondContact NZ-OE1 3.25Å; K187-E190 PolarHBondContact O-N 3.25Å; K187-D740 VanDerWaalsContact CE-OD2 3.31Å; K187-D740 WeakPolarHBondContact CE-OD2 3.29Å; K187-D740 IonicContact NZ-OD1 3.66Å; K187-D740 PolarHBondContact NZ-OD1 2.88Å; K187-D740 IonicContact NZ-OD2 3.93Å; K187-D740 PolarHBondContact NZ-OD2 2.94Å
188	W	92.3	Very high	69.3	Low	14 Å²	14	108.8 Å²	108.8	5%	0.053	54%	0.541	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-12.7	179.9	61.3	-105.3	0	0	0	115.1	W186 E190 R417 E421 W424 W737	W186-W188 VanDerWaalsContact C-N 3.32Å; W186-W188 HydrophobicContact CD2-CB 4.08Å; W186-W188 HydrophobicContact CE3-CB 4.45Å; W186-W188 HydrophobicContact CH2-CB 4.36Å; W186-W188 HydrophobicContact CZ2-CB 3.93Å; W186-W188 PolarHBondContact O-N 2.85Å; W188-E190 VanDerWaalsContact C-N 3.34Å; W188-R417 HydrophobicContact CB-CB 3.69Å; W188-R417 HydrophobicContact CB-CG 3.57Å; W188-R417 HydrophobicContact CD2-CB 4.03Å; W188-R417 HydrophobicContact CD2-CG 3.93Å; W188-R417 HydrophobicContact CE3-CG 4.07Å; W188-R417 HydrophobicContact CG-CB 3.56Å; W188-R417 HydrophobicContact CG-CG 3.72Å; W188-E421 HydrophobicContact CE3-CB 4.27Å; W188-E421 VanDerWaalsContact CH2-N 3.33Å; W188-E421 HydrophobicContact CZ3-CB 3.88Å; W188-E421 HydrophobicContact CZ3-CG 4.37Å; W188-W424 HydrophobicContact CZ3-CE3 4.2Å; W188-W737 HydrophobicContact CH2-CB 3.75Å; W188-W737 AromaticContact CH2-CD1 3.86Å; W188-W737 HydrophobicContact CH2-CD2 4.38Å; W188-W737 AromaticContact CH2-CG 3.72Å; W188-W737 HydrophobicContact CH2-CG 3.72Å; W188-W737 HydrophobicContact CZ2-CB 3.73Å; W188-W737 AromaticContact CZ2-CD1 3.61Å; W188-W737 AromaticContact CZ2-CG 3.8Å; W188-W737 HydrophobicContact CZ2-CG 3.8Å
189	W	92.8	Very high	72.1	Confident	30 Å²	30	107.1 Å²	107.1	11%	0.114	52%	0.517	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-10.3	175.1	53.5	89.8	0	0	0	114	K187 A736 W737 D740	K187-W189 HydrophobicContact CB-CD2 4.35Å; K187-W189 HydrophobicContact CB-CH2 4.44Å; K187-W189 HydrophobicContact CB-CZ2 4.01Å; K187-W189 HydrophobicContact CD-CZ2 4.15Å; K187-W189 HydrophobicContact CG-CH2 4.21Å; K187-W189 HydrophobicContact CG-CZ2 3.66Å; K187-W189 PolarHBondContact O-N 3.16Å; W189-A736 HydrophobicContact CH2-CB 3.89Å; W189-A736 HydrophobicContact CZ3-CB 4.11Å; W189-W737 HydrophobicContact CB-CB 4.21Å; W189-W737 HydrophobicContact CD2-CB 3.67Å; W189-W737 HydrophobicContact CE3-CB 3.51Å; W189-W737 HydrophobicContact CG-CB 4.01Å; W189-W737 HydrophobicContact CZ3-CB 4.1Å; W189-D740 HydrophobicContact CZ2-CB 3.7Å; W189-D740 PolarHBondContact NE1-OD2 2.81Å
190	E	91.1	Very high	75	Confident	129 Å²	129	97.8 Å²	97.8	60%	0.603	48%	0.477	S	S	*	.	S	Bend	trans	-96.1	-3.5	171.4	-62.8	177.6	178.2	0	0	111.9	K187 W188	K187-E190 HydrophobicContact CB-CB 4.46Å; K187-E190 HydrophobicContact CB-CG 4.25Å; K187-E190 HydrophobicContact CD-CG 4.25Å; K187-E190 WeakPolarHBondContact CD-OE1 3.48Å; K187-E190 VanDerWaalsContact CD-OE2 3.25Å; K187-E190 WeakPolarHBondContact CD-OE2 3.18Å; K187-E190 IonicContact NZ-OE1 3.63Å; K187-E190 PolarHBondContact NZ-OE1 3.25Å; K187-E190 PolarHBondContact O-N 3.25Å; W188-E190 VanDerWaalsContact C-N 3.34Å
191	E	88.9	Confident	77.9	Confident	73 Å²	73	96.8 Å²	96.8	34%	0.341	47%	0.47	S	S	.	.	S	Bend	trans	-86.2	158.1	177.1	-63.2	-173.5	159.1	0	0	113.7	W186 H329 R417	W186-E191 WeakPolarHBondContact CZ2-OE2 3.5Å; W186-E191 VanDerWaalsContact NE1-CD 3.35Å; W186-E191 PolarHBondContact NE1-OE1 3.29Å; E191-H329 IonicContact OE1-NE2 3.18Å; E191-R417 IonicContact OE2-NH1 2.71Å; E191-R417 PolarHBondContact OE2-NH1 2.78Å
192	E	83.6	Confident	80.9	Confident	192 Å²	192	90.4 Å²	90.4	90%	0.897	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-65.8	146.9	166.4	-65	-165.6	154.2	0	0	112.4
193	R	77.3	Confident	83.7	Confident	117 Å²	117	84.6 Å²	84.6	44%	0.442	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-92.8	144.2	-177.7	-62.9	-179.6	178.8	171.3	-0.6	112.4	T195 E421 W424	R193-T195 PolarHBondContact O-N 3.27Å; R193-E421 VanDerWaalsContact CD-OE1 3.25Å; R193-E421 WeakPolarHBondContact CD-OE1 3.4Å; R193-E421 WeakPolarHBondContact CG-OE1 3.39Å; R193-E421 IonicContact NE-OE1 3.81Å; R193-W424 VanDerWaalsContact NH2-CZ2 3.31Å
194	Y	72.2	Confident	86	Confident	60 Å²	60	78 Å²	78	24%	0.235	37%	0.371	C	S	.	.			trans	-70.1	112.7	167.1	-73.4	-74.3	0	0	0	112	K201 D327	Y194-K201 HydrophobicContact CE1-CD 4.38Å; Y194-K201 HydrophobicContact CE1-CG 4.4Å; Y194-K201 WeakPolarHBondContact OH-CD 3.38Å; Y194-K201 WeakPolarHBondContact OH-CE 3.23Å; Y194-K201 PolarHBondContact OH-NZ 2.93Å; Y194-D327 VanDerWaalsContact CE2-OD2 3.28Å; Y194-D327 WeakPolarHBondContact CE2-OD2 3.49Å; Y194-D327 PolarHBondContact OH-OD2 2.82Å
195	T	69.6	Low	87.9	Confident	141 Å²	141	69 Å²	69	87%	0.865	33%	0.329	S	S	*	.			trans	-97.9	-20.7	-177.4	50.8	0	0	0	0	114.3	R193 G197	R193-T195 PolarHBondContact O-N 3.27Å; T195-G197 VanDerWaalsContact C-N 3.28Å; T195-G197 PolarHBondContact O-N 2.75Å
196	D	76.6	Confident	89.1	Confident	109 Å²	109	67.8 Å²	67.8	58%	0.583	32%	0.324	S	S	*	.	S	Bend	trans	-75.7	-5.2	-175.4	64.7	-7.6	0	0	0	115.2	V198	D196-V198 VanDerWaalsContact OD1-CB 3.27Å; D196-V198 WeakPolarHBondContact OD1-CB 3.26Å; D196-V198 PolarHBondContact OD1-N 3.03Å; D196-V198 WeakPolarHBondContact OD2-CB 3.07Å; D196-V198 VanDerWaalsContact OD2-CG2 3.23Å; D196-V198 WeakPolarHBondContact OD2-CG2 3.47Å
197	G	84.4	Confident	89.6	Confident	36 Å²	36	65.5 Å²	65.5	37%	0.371	32%	0.316	S	S	.	.	S	Bend	trans	90.4	-10.3	-174.8	0	0	0	0	0	114.6	T195 K199	T195-G197 VanDerWaalsContact C-N 3.28Å; T195-G197 PolarHBondContact O-N 2.75Å; G197-K199 VanDerWaalsContact C-NZ 3.26Å; G197-K199 WeakPolarHBondContact O-CE 3.13Å; G197-K199 PolarHBondContact O-NZ 2.71Å
198	V	91.6	Very high	89.9	Confident	22 Å²	22	62.4 Å²	62.4	13%	0.133	30%	0.304	C	S	.	.			trans	-65.3	152	170.6	175.8	0	0	0	0	110.1	D196 W200 N391	D196-V198 VanDerWaalsContact OD1-CB 3.27Å; D196-V198 WeakPolarHBondContact OD1-CB 3.26Å; D196-V198 PolarHBondContact OD1-N 3.03Å; D196-V198 WeakPolarHBondContact OD2-CB 3.07Å; D196-V198 VanDerWaalsContact OD2-CG2 3.23Å; D196-V198 WeakPolarHBondContact OD2-CG2 3.47Å; V198-W200 WeakPolarHBondContact CG1-O 3.45Å; V198-N391 HydrophobicContact CG1-CB 4.29Å
199	K	93.1	Very high	90.2	Very high	51 Å²	51	62.9 Å²	62.9	22%	0.222	31%	0.308	C	S	.	.			trans	-118.4	-19.7	-174.4	-60.4	-67.9	144.2	-98.3	0	113.8	G197 N391 K392 T394 I418	G197-K199 VanDerWaalsContact C-NZ 3.26Å; G197-K199 WeakPolarHBondContact O-CE 3.13Å; G197-K199 PolarHBondContact O-NZ 2.71Å; K199-N391 WeakPolarHBondContact CB-O 3.12Å; K199-N391 PolarHBondContact N-O 3.5Å; K199-K392 VanDerWaalsContact CG-O 3.3Å; K199-K392 WeakPolarHBondContact CG-O 3.35Å; K199-T394 HydrophobicContact CB-CG2 4.22Å; K199-T394 HydrophobicContact CD-CG2 3.98Å; K199-T394 HydrophobicContact CG-CG2 3.96Å; K199-I418 HydrophobicContact CB-CD1 4.03Å
200	W	94.1	Very high	90.5	Very high	4 Å²	4	63.8 Å²	63.8	2%	0.015	31%	0.313	C	S	.	.			trans	-165	152.1	175.5	42.8	-92.9	0	0	0	108.5	V198 L203 M326 D327 S370 D390 N391 V393	V198-W200 WeakPolarHBondContact CG1-O 3.45Å; W200-L203 HydrophobicContact CD2-CB 3.82Å; W200-L203 HydrophobicContact CD2-CD2 4.12Å; W200-L203 HydrophobicContact CE3-CB 3.78Å; W200-L203 HydrophobicContact CG-CB 4.35Å; W200-L203 HydrophobicContact CH2-CB 4.33Å; W200-L203 HydrophobicContact CH2-CD2 4.34Å; W200-L203 HydrophobicContact CZ2-CB 4.36Å; W200-L203 HydrophobicContact CZ2-CD2 3.7Å; W200-L203 HydrophobicContact CZ3-CB 4.07Å; W200-M326 HydrophobicContact CB-CE 4.21Å; W200-M326 HydrophobicContact CB-CG 3.88Å; W200-M326 HydrophobicContact CB-SD 4.15Å; W200-M326 HydrophobicContact CG-CE 4.07Å; W200-D327 WeakPolarHBondContact CA-OD1 3.22Å; W200-S370 WeakPolarHBondContact CZ3-OG 3.07Å; W200-D390 WeakPolarHBondContact CZ2-O 3.34Å; W200-N391 HydrophobicContact CD2-CB 4.04Å; W200-N391 HydrophobicContact CE3-CB 3.84Å; W200-N391 HydrophobicContact CH2-CB 3.98Å; W200-N391 HydrophobicContact CZ2-CB 4.16Å; W200-N391 HydrophobicContact CZ3-CB 3.78Å; W200-N391 WeakPolarHBondContact O-CB 3.29Å; W200-V393 PolarHBondContact NE1-O 2.98Å
201	K	94.2	Very high	90.7	Very high	148 Å²	148	58.5 Å²	58.5	64%	0.643	29%	0.291	S	S	*	.	S	Bend	trans	-93.4	-45.2	165.5	-69.1	170.6	178.8	138	0	109.8	Y194 D327 S370	Y194-K201 HydrophobicContact CE1-CD 4.38Å; Y194-K201 HydrophobicContact CE1-CG 4.4Å; Y194-K201 WeakPolarHBondContact OH-CD 3.38Å; Y194-K201 WeakPolarHBondContact OH-CE 3.23Å; Y194-K201 PolarHBondContact OH-NZ 2.93Å; K201-D327 PolarHBondContact N-OD1 2.61Å; K201-S370 PolarHBondContact O-OG 3.42Å
202	F	97.2	Very high	91	Very high	39 Å²	39	59.6 Å²	59.6	17%	0.171	31%	0.305	C	S	.	.			trans	-116.7	137.6	178.9	-169.9	-97.9	0	0	0	112.1	E204 I325 M326 D327 S370	F202-E204 HydrophobicContact CE1-CB 3.77Å; F202-E204 HydrophobicContact CZ-CB 3.95Å; F202-I325 HydrophobicContact CD1-CB 4.46Å; F202-I325 HydrophobicContact CD1-CG2 3.95Å; F202-I325 HydrophobicContact CE1-CB 4.15Å; F202-I325 HydrophobicContact CE1-CG2 3.94Å; F202-M326 VanDerWaalsContact O-CA 3.3Å; F202-M326 WeakPolarHBondContact O-CA 3.49Å; F202-D327 PolarHBondContact N-OD1 2.94Å; F202-D327 PolarHBondContact O-N 3.46Å; F202-S370 VanDerWaalsContact CA-OG 3.26Å; F202-S370 WeakPolarHBondContact CA-OG 3.16Å
203	L	98.2	Very high	91.6	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	111.5	175.2	178.2	55	0	0	0	111.4	W200 C324 I325 M326 N368 C369 S370 S373 L396	W200-L203 HydrophobicContact CD2-CB 3.82Å; W200-L203 HydrophobicContact CD2-CD2 4.12Å; W200-L203 HydrophobicContact CE3-CB 3.78Å; W200-L203 HydrophobicContact CG-CB 4.35Å; W200-L203 HydrophobicContact CH2-CB 4.33Å; W200-L203 HydrophobicContact CH2-CD2 4.34Å; W200-L203 HydrophobicContact CZ2-CB 4.36Å; W200-L203 HydrophobicContact CZ2-CD2 3.7Å; W200-L203 HydrophobicContact CZ3-CB 4.07Å; L203-C324 HydrophobicContact CD1-CB 4.33Å; L203-I325 CarbonylContact C-O 3.38Å; L203-I325 WeakPolarHBondContact CA-O 3.27Å; L203-M326 HydrophobicContact CD1-CB 4.43Å; L203-M326 HydrophobicContact CD1-CE 3.79Å; L203-M326 HydrophobicContact CD2-CE 4.26Å; L203-N368 WeakPolarHBondContact CD2-O 3.1Å; L203-C369 WeakPolarHBondContact O-CA 3.4Å; L203-C369 WeakPolarHBondContact O-CB 3.31Å; L203-S370 PolarHBondContact N-OG 3.01Å; L203-S370 PolarHBondContact O-N 2.91Å; L203-S373 VanDerWaalsContact O-CB 3.29Å; L203-S373 WeakPolarHBondContact O-CB 3.49Å; L203-S373 PolarHBondContact O-OG 2.89Å; L203-L396 HydrophobicContact CD1-CG 4.25Å; L203-L396 HydrophobicContact CD2-CG 4.4Å
204	E	98.4	Very high	92.6	Very high	33 Å²	33	52.1 Å²	52.1	15%	0.154	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	139.8	169	-173.7	178.5	128.6	0	0	111.4	F202 K206 C324 I325 K374	F202-E204 HydrophobicContact CE1-CB 3.77Å; F202-E204 HydrophobicContact CZ-CB 3.95Å; E204-K206 IonicContact OE1-NZ 3.17Å; E204-K206 PolarHBondContact OE1-NZ 3.1Å; E204-C324 CarbonylContact O-C 3.6Å; E204-C324 VanDerWaalsContact O-CA 3.25Å; E204-C324 WeakPolarHBondContact O-CA 3.42Å; E204-C324 WeakPolarHBondContact O-CB 3.3Å; E204-I325 HydrophobicContact CB-CB 4.5Å; E204-I325 PolarHBondContact N-O 3.31Å; E204-I325 PolarHBondContact O-N 3.31Å; E204-K374 VanDerWaalsContact OE2-CB 3.29Å; E204-K374 WeakPolarHBondContact OE2-CB 3.14Å; E204-K374 PolarHBondContact OE2-N 3.39Å
205	H	98.4	Very high	93.8	Very high	5 Å²	5	57.1 Å²	57.1	2%	0.023	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	157.8	170.3	59.7	68.3	0	0	0	112.7	G207 C324 I333 N368 L396	H205-G207 WeakPolarHBondContact ND1-CA 3.36Å; H205-G207 PolarHBondContact ND1-N 3.23Å; H205-G207 VanDerWaalsContact ND1-N 3.17Å; H205-G207 PolarHBondContact O-N 3.06Å; H205-C324 HydrophobicContact CB-CB 3.92Å; H205-I333 HydrophobicContact CB-CD1 4.43Å; H205-N368 PolarHBondContact NE2-O 2.98Å; H205-L396 HydrophobicContact CB-CD2 4.07Å; H205-L396 PolarHBondContact NE2-O 2.85Å; H205-L396 VanDerWaalsContact NE2-O 3.1Å
206	K	98.2	Very high	95.1	Very high	93 Å²	93	54.4 Å²	54.4	40%	0.404	29%	0.292	S	S	.	.			trans	-77.1	-3.5	178	-55.4	-47.8	179.5	-157.4	0	115.2	E204 E320 Y321 P376	E204-K206 IonicContact OE1-NZ 3.17Å; E204-K206 PolarHBondContact OE1-NZ 3.1Å; K206-E320 WeakPolarHBondContact CG-O 3.35Å; K206-Y321 HydrophobicContact CB-CD1 3.78Å; K206-Y321 HydrophobicContact CB-CE1 3.81Å; K206-P376 WeakPolarHBondContact O-CB 3.36Å
207	G	98	Very high	96.1	Very high	4 Å²	4	50.2 Å²	50.2	4%	0.041	27%	0.27	C	S	.	.			trans	91	-167.4	177	0	0	0	0	0	112.6	H205	H205-G207 WeakPolarHBondContact ND1-CA 3.36Å; H205-G207 PolarHBondContact ND1-N 3.23Å; H205-G207 VanDerWaalsContact ND1-N 3.17Å; H205-G207 PolarHBondContact O-N 3.06Å
208	P	98.2	Very high	96.7	Very high	9 Å²	9	50.7 Å²	50.7	6%	0.058	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-81.3	148.8	-179.4	33.3	-34.2	0	0	0	112.6	F210 F336 I338 I365 W384 V397 I410	P208-F210 HydrophobicContact CG-CE2 4.13Å; P208-F210 HydrophobicContact CG-CZ 4.35Å; P208-F336 WeakPolarHBondContact CA-O 3.27Å; P208-I338 HydrophobicContact CB-CD1 3.6Å; P208-I338 HydrophobicContact CB-CG1 3.8Å; P208-I338 HydrophobicContact CG-CD1 4Å; P208-I365 HydrophobicContact CG-CG2 4.3Å; P208-W384 HydrophobicContact CG-CH2 4.02Å; P208-W384 HydrophobicContact CG-CZ3 4.11Å; P208-V397 HydrophobicContact CB-CG1 4.34Å; P208-V397 HydrophobicContact CG-CG1 4.13Å; P208-I410 HydrophobicContact CB-CD1 3.8Å
209	V	98.3	Very high	96.8	Very high	24 Å²	24	55.4 Å²	55.4	15%	0.145	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-89.5	124.4	160.3	175.6	0	0	0	0	108.9	L317 Y321 F336 R337 I338	V209-L317 HydrophobicContact CG1-CD1 4.4Å; V209-L317 HydrophobicContact CG1-CD2 4.28Å; V209-L317 HydrophobicContact CG2-CD1 3.98Å; V209-L317 HydrophobicContact CG2-CG 4.29Å; V209-Y321 HydrophobicContact CG2-CD1 3.72Å; V209-Y321 HydrophobicContact CG2-CD2 3.58Å; V209-Y321 HydrophobicContact CG2-CE1 4.36Å; V209-Y321 HydrophobicContact CG2-CE2 4.23Å; V209-Y321 HydrophobicContact CG2-CG 3.32Å; V209-F336 HydrophobicContact CB-CD2 4.25Å; V209-F336 HydrophobicContact CG2-CD2 3.79Å; V209-F336 HydrophobicContact CG2-CE2 4.04Å; V209-F336 PolarHBondContact N-O 3.17Å; V209-R337 HydrophobicContact CB-CG 4.19Å; V209-R337 HydrophobicContact CG1-CG 4.35Å; V209-R337 WeakPolarHBondContact O-CA 3.35Å; V209-I338 PolarHBondContact O-N 3.28Å
210	F	98.1	Very high	96.9	Very high	50 Å²	50	58.6 Å²	58.6	22%	0.219	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-72.9	153.3	175	-74.6	-86.8	0	0	0	112.1	P208 I338 P362 I365 P379 W384	P208-F210 HydrophobicContact CG-CE2 4.13Å; P208-F210 HydrophobicContact CG-CZ 4.35Å; F210-I338 HydrophobicContact CD1-CD1 3.6Å; F210-I338 HydrophobicContact CD2-CD1 4.48Å; F210-I338 HydrophobicContact CE1-CD1 3.45Å; F210-I338 VanDerWaalsContact CE1-CD1 3.45Å; F210-I338 HydrophobicContact CE2-CD1 4.37Å; F210-I338 HydrophobicContact CG-CD1 4.11Å; F210-I338 HydrophobicContact CZ-CD1 3.86Å; F210-P362 HydrophobicContact CE1-CG 4.16Å; F210-P362 HydrophobicContact CE2-CG 3.98Å; F210-P362 HydrophobicContact CZ-CB 4.16Å; F210-P362 HydrophobicContact CZ-CG 3.64Å; F210-I365 HydrophobicContact CE1-CG1 4.18Å; F210-I365 HydrophobicContact CZ-CG1 3.84Å; F210-P379 HydrophobicContact CD2-CG 4.1Å; F210-P379 HydrophobicContact CE2-CG 3.99Å; F210-W384 HydrophobicContact CE2-CH2 4.19Å; F210-W384 AromaticContact CE2-CZ3 3.89Å; F210-W384 HydrophobicContact CE2-CZ3 3.89Å; F210-W384 AromaticContact CZ-CZ3 3.94Å; F210-W384 HydrophobicContact CZ-CZ3 3.94Å
211	A	96.6	Very high	97	Very high	18 Å²	18	59.2 Å²	59.2	15%	0.149	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-63.8	138.1	169.2	0	0	0	0	0	109.9	P340 R359	A211-P340 HydrophobicContact CB-CB 4.01Å; A211-P340 HydrophobicContact CB-CG 4.05Å; A211-R359 PolarHBondContact O-NH1 2.66Å
212	P	95.9	Very high	97.2	Very high	95 Å²	95	56.8 Å²	56.8	62%	0.617	31%	0.313	S	S	*	.	P	Polyproline II helix	trans	-50.4	148.7	178.7	-28.5	35.3	0	0	0	112.8	R359	P212-R359 VanDerWaalsContact O-CZ 3.29Å; P212-R359 PolarHBondContact O-NH1 3Å; P212-R359 PolarHBondContact O-NH2 2.91Å
213	P	96.2	Very high	97.2	Very high	105 Å²	105	55.3 Å²	55.3	68%	0.682	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-57.4	163.9	175.2	27.7	-35.7	0	0	0	111.3
214	Y	97.5	Very high	97.2	Very high	48 Å²	48	57.6 Å²	57.6	19%	0.188	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-71.1	136.1	173.1	-178.1	-124.7	0	0	0	110.2	P216 E237 E238 T241	Y214-P216 HydrophobicContact CD1-CG 4.32Å; Y214-P216 HydrophobicContact CE1-CB 4.28Å; Y214-P216 HydrophobicContact CE1-CG 4.28Å; Y214-E237 HydrophobicContact CE1-CB 4.21Å; Y214-E237 HydrophobicContact CE1-CG 4.43Å; Y214-E237 WeakPolarHBondContact OH-CG 3.16Å; Y214-E237 PolarHBondContact OH-OE1 2.86Å; Y214-E238 HydrophobicContact CD1-CB 3.8Å; Y214-E238 HydrophobicContact CD2-CB 3.8Å; Y214-E238 HydrophobicContact CD2-CG 3.9Å; Y214-E238 HydrophobicContact CE1-CB 4.03Å; Y214-E238 HydrophobicContact CE2-CB 4.09Å; Y214-E238 HydrophobicContact CE2-CG 4.44Å; Y214-E238 HydrophobicContact CG-CB 3.7Å; Y214-E238 HydrophobicContact CG-CG 4.06Å; Y214-T241 HydrophobicContact CE2-CG2 3.95Å; Y214-T241 WeakPolarHBondContact OH-CG2 3.46Å
215	E	97.2	Very high	97.2	Very high	165 Å²	165	56.9 Å²	56.9	77%	0.771	31%	0.312	S	S	*	.			trans	-104.6	110.4	169.9	-70.1	175.1	-177.3	0	0	107.2
216	P	97.4	Very high	97.1	Very high	83 Å²	83	60.9 Å²	60.9	54%	0.539	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-58.3	156.8	-179.5	-27.4	36.5	0	0	0	113.7	Y214 E237	Y214-P216 HydrophobicContact CD1-CG 4.32Å; Y214-P216 HydrophobicContact CE1-CB 4.28Å; Y214-P216 HydrophobicContact CE1-CG 4.28Å; P216-E237 WeakPolarHBondContact CA-OE1 3.33Å
217	L	96.8	Very high	97	Very high	22 Å²	22	59.8 Å²	59.8	12%	0.115	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-65.4	140.6	179.3	-71.3	178.8	0	0	0	112	V221 E237 M288 Y291 F292	L217-V221 HydrophobicContact CD1-CG1 4.17Å; L217-V221 HydrophobicContact CD2-CG1 4.41Å; L217-E237 HydrophobicContact CD1-CG 4.12Å; L217-E237 HydrophobicContact CG-CG 4.27Å; L217-E237 PolarHBondContact N-OE1 3.28Å; L217-M288 HydrophobicContact CD1-CE 3.6Å; L217-M288 HydrophobicContact CD1-CG 3.91Å; L217-M288 HydrophobicContact CD1-SD 4.5Å; L217-Y291 HydrophobicContact CD2-CD1 3.59Å; L217-Y291 HydrophobicContact CD2-CE1 3.56Å; L217-F292 HydrophobicContact CD2-CE2 4.11Å; L217-F292 HydrophobicContact CD2-CZ 3.74Å
218	P	96.7	Very high	96.9	Very high	46 Å²	46	67.1 Å²	67.1	30%	0.299	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-56.2	142.7	168.4	-25.6	35.7	0	0	0	111.4	N220 V221 Y291	P218-N220 VanDerWaalsContact CB-OD1 3.29Å; P218-N220 WeakPolarHBondContact CB-OD1 3.39Å; P218-N220 PolarHBondContact O-N 3.01Å; P218-V221 HydrophobicContact CB-CG2 4.46Å; P218-V221 PolarHBondContact O-N 3.22Å; P218-Y291 HydrophobicContact CG-CE2 3.97Å
219	S	93.7	Very high	96.9	Very high	121 Å²	121	70.5 Å²	70.5	85%	0.846	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-12.9	-174.6	54.3	0	0	0	0	115.4
220	N	94.9	Very high	96.8	Very high	118 Å²	118	71.5 Å²	71.5	63%	0.631	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-2.7	173.2	71.2	-88	0	0	0	114.2	P218	P218-N220 VanDerWaalsContact CB-OD1 3.29Å; P218-N220 WeakPolarHBondContact CB-OD1 3.39Å; P218-N220 PolarHBondContact O-N 3.01Å
221	V	97.3	Very high	96.7	Very high	16 Å²	16	78 Å²	78	10%	0.097	43%	0.433	C	S	.	.	S	Bend	trans	-110.4	118.1	176.4	-176	0	0	0	0	107.8	L217 P218 E287 M288 Y291	L217-V221 HydrophobicContact CD1-CG1 4.17Å; L217-V221 HydrophobicContact CD2-CG1 4.41Å; P218-V221 HydrophobicContact CB-CG2 4.46Å; P218-V221 PolarHBondContact O-N 3.22Å; V221-E287 HydrophobicContact CG1-CB 4.42Å; V221-M288 HydrophobicContact CG1-CG 4.45Å; V221-Y291 HydrophobicContact CG1-CG 4.23Å; V221-Y291 HydrophobicContact CG2-CD2 3.7Å; V221-Y291 HydrophobicContact CG2-CE2 4.35Å; V221-Y291 HydrophobicContact CG2-CG 3.85Å
222	K	97.1	Very high	96.8	Very high	97 Å²	97	77.7 Å²	77.7	42%	0.422	43%	0.428	S	S	.	.			trans	-114.2	146.3	-170.9	-64.3	168.4	-174.6	169.7	0	112.1	Y224 P229 E287	K222-Y224 HydrophobicContact CB-CD2 4.26Å; K222-Y224 HydrophobicContact CB-CE2 3.6Å; K222-P229 HydrophobicContact CD-CB 4.14Å; K222-E287 WeakPolarHBondContact CB-OE2 3.27Å; K222-E287 PolarHBondContact N-OE2 3.08Å
223	F	98.1	Very high	96.8	Very high	9 Å²	9	74.1 Å²	74.1	4%	0.039	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	146.9	158.1	171.9	-108.2	0	0	0	108.8	P229 M230 L232 W265 I277 C283 N284 F285 M288	F223-P229 WeakPolarHBondContact O-CA 3.15Å; F223-M230 HydrophobicContact CD1-CB 4.17Å; F223-M230 PolarHBondContact O-N 3.34Å; F223-L232 HydrophobicContact CB-CD1 4.17Å; F223-L232 HydrophobicContact CB-CG 4.36Å; F223-L232 HydrophobicContact CD1-CD1 3.99Å; F223-L232 HydrophobicContact CD1-CD2 3.78Å; F223-L232 HydrophobicContact CD1-CG 3.87Å; F223-L232 HydrophobicContact CE1-CD2 4.03Å; F223-L232 HydrophobicContact CG-CD1 3.98Å; F223-L232 HydrophobicContact CG-CG 4.26Å; F223-W265 HydrophobicContact CE1-CH2 4.45Å; F223-W265 HydrophobicContact CE2-CH2 4.1Å; F223-W265 AromaticContact CZ-CH2 3.78Å; F223-W265 HydrophobicContact CZ-CH2 3.78Å; F223-W265 HydrophobicContact CZ-CZ2 4.44Å; F223-I277 HydrophobicContact CE1-CD1 4.06Å; F223-C283 HydrophobicContact CE2-CB 3.88Å; F223-C283 HydrophobicContact CZ-CB 3.88Å; F223-N284 WeakPolarHBondContact CD2-O 3.19Å; F223-F285 HydrophobicContact CD2-CD1 4.11Å; F223-F285 HydrophobicContact CD2-CE1 4.15Å; F223-F285 HydrophobicContact CE2-CD1 4.03Å; F223-F285 AromaticContact CE2-CE1 3.71Å; F223-F285 HydrophobicContact CE2-CE1 3.71Å; F223-F285 HydrophobicContact CE2-CZ 4.1Å; F223-M288 HydrophobicContact CB-SD 4.1Å; F223-M288 HydrophobicContact CD2-SD 4.1Å
224	Y	98.3	Very high	96.9	Very high	48 Å²	48	72.4 Å²	72.4	19%	0.188	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	140.6	174.5	-58	-110.8	0	0	0	110.8	K222 K228 P229 N284 E287	K222-Y224 HydrophobicContact CB-CD2 4.26Å; K222-Y224 HydrophobicContact CB-CE2 3.6Å; Y224-K228 CarbonylContact C-O 3.47Å; Y224-K228 WeakPolarHBondContact CA-O 3.44Å; Y224-K228 WeakPolarHBondContact CB-O 3.34Å; Y224-P229 HydrophobicContact CD1-CB 3.89Å; Y224-P229 HydrophobicContact CE1-CB 3.74Å; Y224-P229 HydrophobicContact CE1-CG 4.31Å; Y224-N284 PolarHBondContact N-O 3.3Å; Y224-N284 PolarHBondContact O-N 2.91Å; Y224-E287 HydrophobicContact CE2-CG 4.25Å; Y224-E287 WeakPolarHBondContact CE2-OE1 3.29Å; Y224-E287 VanDerWaalsContact CZ-OE1 3.27Å; Y224-E287 PolarHBondContact OH-OE1 2.94Å
225	Y	98.1	Very high	96.9	Very high	19 Å²	19	75.5 Å²	75.5	8%	0.075	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	127.2	171.5	-173.9	-101.8	0	0	0	109.5	G227 K228 T276 I277 T278 D279 K282	Y225-G227 PolarHBondContact O-N 2.85Å; Y225-K228 PolarHBondContact N-O 2.86Å; Y225-K228 PolarHBondContact O-N 3.36Å; Y225-T276 HydrophobicContact CD1-CG2 3.93Å; Y225-T276 HydrophobicContact CE1-CG2 4.25Å; Y225-T276 WeakPolarHBondContact CE1-O 3.47Å; Y225-T276 VanDerWaalsContact CZ-O 3.23Å; Y225-T276 PolarHBondContact OH-O 2.83Å; Y225-I277 HydrophobicContact CD2-CB 4.39Å; Y225-I277 HydrophobicContact CD2-CG1 4.38Å; Y225-I277 HydrophobicContact CD2-CG2 3.92Å; Y225-I277 HydrophobicContact CE2-CB 4.31Å; Y225-I277 HydrophobicContact CE2-CG2 3.88Å; Y225-T278 PolarHBondContact OH-N 3.48Å; Y225-T278 PolarHBondContact OH-OG1 2.76Å; Y225-D279 WeakPolarHBondContact CE2-O 3.44Å; Y225-D279 PolarHBondContact OH-N 3.44Å; Y225-K282 WeakPolarHBondContact CA-O 3.43Å; Y225-K282 HydrophobicContact CD2-CB 4Å; Y225-K282 HydrophobicContact CE1-CD 4.43Å; Y225-K282 HydrophobicContact CE2-CB 3.51Å
226	D	96.8	Very high	97	Very high	89 Å²	89	67.7 Å²	67.7	48%	0.476	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.3	38.2	179.8	-141.3	22	0	0	0	112.9	K228 K282	D226-K228 PolarHBondContact O-N 3.13Å; D226-K282 HydrophobicContact CB-CD 4.28Å; D226-K282 PolarHBondContact N-O 3.12Å; D226-K282 WeakPolarHBondContact OD1-CD 3.45Å; D226-K282 WeakPolarHBondContact OD1-CE 3.46Å; D226-K282 IonicContact OD1-NZ 2.85Å; D226-K282 PolarHBondContact OD1-NZ 3.15Å; D226-K282 IonicContact OD2-NZ 3.28Å; D226-K282 PolarHBondContact OD2-NZ 3.31Å
227	G	95.9	Very high	97	Very high	69 Å²	69	64.7 Å²	64.7	71%	0.711	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	-9.9	-176.1	0	0	0	0	0	115.7	Y225	Y225-G227 PolarHBondContact O-N 2.85Å
228	K	97	Very high	97.1	Very high	158 Å²	158	65 Å²	65	69%	0.687	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.8	136.7	-177.5	-63	177.1	-177.1	175.2	0	111.2	Y224 Y225 D226	Y224-K228 CarbonylContact C-O 3.47Å; Y224-K228 WeakPolarHBondContact CA-O 3.44Å; Y224-K228 WeakPolarHBondContact CB-O 3.34Å; Y225-K228 PolarHBondContact N-O 2.86Å; Y225-K228 PolarHBondContact O-N 3.36Å; D226-K228 PolarHBondContact O-N 3.13Å
229	P	96.8	Very high	97.2	Very high	81 Å²	81	63.2 Å²	63.2	53%	0.526	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	134.7	176.1	28.1	-33.7	0	0	0	110.3	K222 F223 Y224	K222-P229 HydrophobicContact CD-CB 4.14Å; F223-P229 WeakPolarHBondContact O-CA 3.15Å; Y224-P229 HydrophobicContact CD1-CB 3.89Å; Y224-P229 HydrophobicContact CE1-CB 3.74Å; Y224-P229 HydrophobicContact CE1-CG 4.31Å
230	M	96	Very high	97.4	Very high	44 Å²	44	57.4 Å²	57.4	22%	0.217	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	127.4	-178.8	-174.9	175.8	-173.2	0	0	109.2	F223 E273 T276 I277	F223-M230 HydrophobicContact CD1-CB 4.17Å; F223-M230 PolarHBondContact O-N 3.34Å; M230-E273 HydrophobicContact CE-CG 4.14Å; M230-T276 HydrophobicContact CE-CG2 3.97Å; M230-T276 HydrophobicContact SD-CG2 3.9Å; M230-I277 HydrophobicContact CE-CD1 4.22Å; M230-I277 HydrophobicContact CE-CG1 4.26Å; M230-I277 HydrophobicContact SD-CD1 3.96Å; M230-I277 HydrophobicContact SD-CG1 3.93Å
231	K	96.4	Very high	97.6	Very high	187 Å²	187	51.8 Å²	51.8	81%	0.813	27%	0.272	S	S	*	.	P	Polyproline II helix	trans	-83	132.6	171.4	-174.4	178.4	178.7	-175.8	0	109
232	L	97.8	Very high	97.7	Very high	11 Å²	11	52.2 Å²	52.2	6%	0.058	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-91.9	160.8	177.9	-63.3	175	0	0	0	111.9	F223 A236 E237 A240 W265 E273 I277	F223-L232 HydrophobicContact CB-CD1 4.17Å; F223-L232 HydrophobicContact CB-CG 4.36Å; F223-L232 HydrophobicContact CD1-CD1 3.99Å; F223-L232 HydrophobicContact CD1-CD2 3.78Å; F223-L232 HydrophobicContact CD1-CG 3.87Å; F223-L232 HydrophobicContact CE1-CD2 4.03Å; F223-L232 HydrophobicContact CG-CD1 3.98Å; F223-L232 HydrophobicContact CG-CG 4.26Å; L232-A236 HydrophobicContact CB-CB 4.37Å; L232-E237 HydrophobicContact CB-CB 4.01Å; L232-E237 HydrophobicContact CB-CG 4.49Å; L232-A240 HydrophobicContact CD1-CB 3.78Å; L232-W265 HydrophobicContact CD1-CZ2 4.1Å; L232-W265 HydrophobicContact CD2-CZ2 4.45Å; L232-E273 WeakPolarHBondContact CA-OE1 3.25Å; L232-E273 WeakPolarHBondContact CB-OE1 3.37Å; L232-E273 VanDerWaalsContact CD2-OE1 3.29Å; L232-E273 WeakPolarHBondContact CD2-OE1 3.49Å; L232-I277 HydrophobicContact CD2-CD1 3.72Å
233	S	98	Very high	97.7	Very high	20 Å²	20	47.8 Å²	47.8	14%	0.14	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-65.7	151.1	162.3	60.5	0	0	0	0	110.7	E235 A236 E237 E273	S233-E235 PolarHBondContact O-N 2.9Å; S233-A236 PolarHBondContact O-N 3.09Å; S233-A236 WeakPolarHBondContact OG-CB 3.42Å; S233-A236 PolarHBondContact OG-N 3.28Å; S233-E237 VanDerWaalsContact O-CB 3.25Å; S233-E237 WeakPolarHBondContact O-CB 3.27Å; S233-E237 PolarHBondContact O-N 3.22Å; S233-E273 WeakPolarHBondContact CB-OE2 3.49Å; S233-E273 PolarHBondContact N-OE1 2.8Å; S233-E273 PolarHBondContact OG-OE1 2.82Å; S233-E273 PolarHBondContact OG-OE2 2.7Å
234	P	97.8	Very high	97.7	Very high	69 Å²	69	47.3 Å²	47.3	45%	0.448	25%	0.251	S	S	.	.	H	α-helix	trans	-56.3	-35.8	-177.8	-25.9	35.2	0	0	0	113.8	E238	P234-E238 PolarHBondContact O-N 3.3Å
235	E	97.2	Very high	97.7	Very high	114 Å²	114	49.7 Å²	49.7	53%	0.533	26%	0.262	S	S	.	.	H	α-helix	trans	-68.3	-48.6	177.5	-69.7	66	-150.9	0	0	111.8	S233 E237 V239 E268	S233-E235 PolarHBondContact O-N 2.9Å; E235-E237 VanDerWaalsContact C-N 3.31Å; E235-E237 PolarHBondContact O-N 3.39Å; E235-V239 WeakPolarHBondContact O-CG2 3.28Å; E235-V239 PolarHBondContact O-N 3.49Å; E235-E268 HydrophobicContact CB-CB 4.39Å
236	A	98.3	Very high	97.6	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-67	-32.4	174.2	0	0	0	0	0	112.1	L232 S233 A240 W265 M269	L232-A236 HydrophobicContact CB-CB 4.37Å; S233-A236 PolarHBondContact O-N 3.09Å; S233-A236 WeakPolarHBondContact OG-CB 3.42Å; S233-A236 PolarHBondContact OG-N 3.28Å; A236-A240 VanDerWaalsContact O-CB 3.27Å; A236-A240 WeakPolarHBondContact O-CB 3.48Å; A236-A240 PolarHBondContact O-N 3.43Å; A236-W265 PolarHBondContact O-NE1 3.35Å; A236-M269 HydrophobicContact CB-CG 4Å
237	E	98.6	Very high	97.5	Very high	20 Å²	20	48.2 Å²	48.2	9%	0.093	26%	0.255	C	S	.	.	H	α-helix	trans	-68.9	-49	177.9	-160.9	-177.3	80.2	0	0	111.3	Y214 P216 L217 L232 S233 E235 V239 A240 T241	Y214-E237 HydrophobicContact CE1-CB 4.21Å; Y214-E237 HydrophobicContact CE1-CG 4.43Å; Y214-E237 WeakPolarHBondContact OH-CG 3.16Å; Y214-E237 PolarHBondContact OH-OE1 2.86Å; P216-E237 WeakPolarHBondContact CA-OE1 3.33Å; L217-E237 HydrophobicContact CD1-CG 4.12Å; L217-E237 HydrophobicContact CG-CG 4.27Å; L217-E237 PolarHBondContact N-OE1 3.28Å; L232-E237 HydrophobicContact CB-CB 4.01Å; L232-E237 HydrophobicContact CB-CG 4.49Å; S233-E237 VanDerWaalsContact O-CB 3.25Å; S233-E237 WeakPolarHBondContact O-CB 3.27Å; S233-E237 PolarHBondContact O-N 3.22Å; E235-E237 VanDerWaalsContact C-N 3.31Å; E235-E237 PolarHBondContact O-N 3.39Å; E237-V239 PolarHBondContact O-N 3.17Å; E237-A240 PolarHBondContact O-N 2.88Å; E237-A240 VanDerWaalsContact O-N 3.13Å; E237-T241 WeakPolarHBondContact O-CG2 3.32Å; E237-T241 PolarHBondContact O-N 2.72Å
238	E	98.5	Very high	97.4	Very high	30 Å²	30	48.9 Å²	48.9	14%	0.14	24%	0.242	C	C	.	.	H	α-helix	trans	-50.4	-48.2	175.7	174.1	159.5	-128.7	0	0	110	Y214 P234 T241 F242 R359	Y214-E238 HydrophobicContact CD1-CB 3.8Å; Y214-E238 HydrophobicContact CD2-CB 3.8Å; Y214-E238 HydrophobicContact CD2-CG 3.9Å; Y214-E238 HydrophobicContact CE1-CB 4.03Å; Y214-E238 HydrophobicContact CE2-CB 4.09Å; Y214-E238 HydrophobicContact CE2-CG 4.44Å; Y214-E238 HydrophobicContact CG-CB 3.7Å; Y214-E238 HydrophobicContact CG-CG 4.06Å; P234-E238 PolarHBondContact O-N 3.3Å; E238-T241 WeakPolarHBondContact O-CB 3.18Å; E238-T241 PolarHBondContact O-N 3.23Å; E238-T241 PolarHBondContact O-OG1 3.37Å; E238-F242 HydrophobicContact CG-CE1 4.14Å; E238-F242 HydrophobicContact CG-CE2 3.9Å; E238-F242 HydrophobicContact CG-CZ 3.4Å; E238-F242 VanDerWaalsContact CG-CZ 3.4Å; E238-F242 PolarHBondContact O-N 2.97Å; E238-R359 IonicContact OE1-CZ 2.75Å; E238-R359 IonicContact OE1-NE 2.7Å; E238-R359 IonicContact OE1-NH2 3.36Å; E238-R359 PolarHBondContact OE1-NH2 3.01Å; E238-R359 IonicContact OE2-CZ 3.82Å; E238-R359 IonicContact OE2-NE 3.79Å; E238-R359 PolarHBondContact OE2-NE 3.23Å; E238-R359 IonicContact OE2-NH2 3.84Å
239	V	98.6	Very high	97.2	Very high	7 Å²	7	44 Å²	44	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-68.4	-42.9	-179.4	177.6	0	0	0	0	112.9	E235 E237 T241 F242 F261 W265 E268 L356	E235-V239 WeakPolarHBondContact O-CG2 3.28Å; E235-V239 PolarHBondContact O-N 3.49Å; E237-V239 PolarHBondContact O-N 3.17Å; V239-T241 PolarHBondContact O-N 2.98Å; V239-F242 HydrophobicContact CB-CD2 4.44Å; V239-F242 HydrophobicContact CG2-CE2 4.26Å; V239-F242 WeakPolarHBondContact O-CB 3.3Å; V239-F242 PolarHBondContact O-N 3.15Å; V239-F242 VanDerWaalsContact O-N 3.09Å; V239-F261 HydrophobicContact CG1-CE2 3.9Å; V239-W265 HydrophobicContact CG1-CB 3.81Å; V239-W265 HydrophobicContact CG1-CG 3.87Å; V239-E268 HydrophobicContact CG2-CG 4.08Å; V239-L356 HydrophobicContact CG1-CD1 4.4Å; V239-L356 HydrophobicContact CG1-CD2 4.41Å; V239-L356 HydrophobicContact CG2-CD1 3.99Å; V239-L356 HydrophobicContact CG2-CD2 3.65Å; V239-L356 HydrophobicContact CG2-CG 4.5Å
240	A	98.6	Very high	97.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.2	-35	173.7	0	0	0	0	0	111.8	L232 A236 E237 F242 F243 A244 W265 F285 M288	L232-A240 HydrophobicContact CD1-CB 3.78Å; A236-A240 VanDerWaalsContact O-CB 3.27Å; A236-A240 WeakPolarHBondContact O-CB 3.48Å; A236-A240 PolarHBondContact O-N 3.43Å; E237-A240 PolarHBondContact O-N 2.88Å; E237-A240 VanDerWaalsContact O-N 3.13Å; A240-F242 PolarHBondContact O-N 3.18Å; A240-F243 PolarHBondContact O-N 2.66Å; A240-A244 PolarHBondContact O-N 2.96Å; A240-W265 HydrophobicContact CB-CZ2 3.87Å; A240-F285 HydrophobicContact CB-CD1 4.49Å; A240-F285 HydrophobicContact CB-CE1 4.09Å; A240-M288 HydrophobicContact CB-CE 3.78Å
241	T	98.5	Very high	97	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-32.4	175.6	81.3	0	0	0	0	112.7	Y214 E237 E238 V239 F243 A244 K245 M288 F292	Y214-T241 HydrophobicContact CE2-CG2 3.95Å; Y214-T241 WeakPolarHBondContact OH-CG2 3.46Å; E237-T241 WeakPolarHBondContact O-CG2 3.32Å; E237-T241 PolarHBondContact O-N 2.72Å; E238-T241 WeakPolarHBondContact O-CB 3.18Å; E238-T241 PolarHBondContact O-N 3.23Å; E238-T241 PolarHBondContact O-OG1 3.37Å; V239-T241 PolarHBondContact O-N 2.98Å; T241-F243 VanDerWaalsContact C-N 3.35Å; T241-A244 PolarHBondContact O-N 2.95Å; T241-K245 WeakPolarHBondContact O-CB 3.49Å; T241-K245 VanDerWaalsContact O-CD 3.25Å; T241-K245 WeakPolarHBondContact O-CD 3.46Å; T241-K245 WeakPolarHBondContact O-CG 3.45Å; T241-K245 PolarHBondContact O-N 2.87Å; T241-K245 PolarHBondContact OG1-NZ 3.1Å; T241-M288 HydrophobicContact CG2-CE 4.2Å; T241-F292 HydrophobicContact CG2-CE2 3.89Å; T241-F292 HydrophobicContact CG2-CZ 3.86Å
242	F	98.4	Very high	97	Very high	24 Å²	24	37.3 Å²	37.3	11%	0.105	19%	0.185	C	C	.	.	H	α-helix	trans	-67.1	-37.1	-179.8	-53.9	-43	0	0	0	111.9	E238 V239 A240 M246 P341 L343 L356	E238-F242 HydrophobicContact CG-CE1 4.14Å; E238-F242 HydrophobicContact CG-CE2 3.9Å; E238-F242 HydrophobicContact CG-CZ 3.4Å; E238-F242 VanDerWaalsContact CG-CZ 3.4Å; E238-F242 PolarHBondContact O-N 2.97Å; V239-F242 HydrophobicContact CB-CD2 4.44Å; V239-F242 HydrophobicContact CG2-CE2 4.26Å; V239-F242 WeakPolarHBondContact O-CB 3.3Å; V239-F242 PolarHBondContact O-N 3.15Å; V239-F242 VanDerWaalsContact O-N 3.09Å; A240-F242 PolarHBondContact O-N 3.18Å; F242-M246 WeakPolarHBondContact O-CG 3.3Å; F242-M246 PolarHBondContact O-N 2.87Å; F242-P341 HydrophobicContact CE2-CB 4.2Å; F242-P341 HydrophobicContact CZ-CB 3.78Å; F242-P341 HydrophobicContact CZ-CG 3.87Å; F242-L343 HydrophobicContact CB-CD1 4.36Å; F242-L343 HydrophobicContact CB-CD2 4.21Å; F242-L343 HydrophobicContact CB-CG 3.82Å; F242-L343 HydrophobicContact CD2-CD2 4.43Å; F242-L356 HydrophobicContact CD2-CD1 4.03Å; F242-L356 HydrophobicContact CE2-CD1 3.88Å
243	F	98.4	Very high	96.9	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.018	21%	0.212	C	C	.	.	H	α-helix	trans	-73	-43.3	174.2	-164	-91.1	0	0	0	111.3	A240 T241 K245 M246 L247 T252 F257 F261 L280 F285 L343	A240-F243 PolarHBondContact O-N 2.66Å; T241-F243 VanDerWaalsContact C-N 3.35Å; F243-K245 VanDerWaalsContact C-N 3.35Å; F243-K245 PolarHBondContact O-N 2.9Å; F243-M246 CarbonylContact O-C 3.54Å; F243-M246 WeakPolarHBondContact O-CA 3.5Å; F243-M246 PolarHBondContact O-N 2.74Å; F243-L247 HydrophobicContact CE1-CD1 4.18Å; F243-L247 PolarHBondContact O-N 2.92Å; F243-L247 VanDerWaalsContact O-N 3.1Å; F243-T252 HydrophobicContact CD2-CG2 4.17Å; F243-T252 HydrophobicContact CE1-CG2 4.17Å; F243-T252 HydrophobicContact CE2-CG2 3.8Å; F243-T252 HydrophobicContact CZ-CG2 3.8Å; F243-F257 HydrophobicContact CD2-CE1 4.18Å; F243-F257 HydrophobicContact CE2-CD1 4.29Å; F243-F257 HydrophobicContact CE2-CE1 4.19Å; F243-F261 HydrophobicContact CB-CD1 4.36Å; F243-F261 HydrophobicContact CB-CD2 4.24Å; F243-F261 HydrophobicContact CB-CE1 3.83Å; F243-F261 HydrophobicContact CB-CE2 3.7Å; F243-F261 HydrophobicContact CB-CZ 3.48Å; F243-F261 VanDerWaalsContact CB-CZ 3.48Å; F243-F261 HydrophobicContact CD1-CE1 4.29Å; F243-F261 HydrophobicContact CD2-CB 4.27Å; F243-F261 AromaticContact CD2-CD1 3.35Å; F243-F261 HydrophobicContact CD2-CD1 3.35Å; F243-F261 HydrophobicContact CD2-CD2 4.03Å; F243-F261 AromaticContact CD2-CE1 3.63Å; F243-F261 HydrophobicContact CD2-CE1 3.63Å; F243-F261 HydrophobicContact CD2-CE2 4.26Å; F243-F261 AromaticContact CD2-CG 3.58Å; F243-F261 HydrophobicContact CD2-CG 3.58Å; F243-F261 HydrophobicContact CD2-CZ 4.09Å; F243-F261 HydrophobicContact CE2-CB 4.5Å; F243-F261 AromaticContact CE2-CD1 3.72Å; F243-F261 HydrophobicContact CE2-CD1 3.72Å; F243-F261 HydrophobicContact CE2-CE1 4.24Å; F243-F261 HydrophobicContact CE2-CG 4.14Å; F243-F261 AromaticContact CG-CD1 3.91Å; F243-F261 HydrophobicContact CG-CD1 3.91Å; F243-F261 AromaticContact CG-CE1 3.66Å; F243-F261 HydrophobicContact CG-CE1 3.66Å; F243-F261 HydrophobicContact CG-CE2 4.3Å; F243-F261 HydrophobicContact CG-CG 4.35Å; F243-F261 AromaticContact CG-CZ 3.88Å; F243-F261 HydrophobicContact CG-CZ 3.88Å; F243-L280 HydrophobicContact CZ-CD2 4.44Å; F243-F285 AromaticContact CD1-CD2 3.73Å; F243-F285 HydrophobicContact CD1-CD2 3.73Å; F243-F285 AromaticContact CD1-CE2 3.74Å; F243-F285 HydrophobicContact CD1-CE2 3.74Å; F243-F285 HydrophobicContact CD1-CG 4.2Å; F243-F285 HydrophobicContact CD1-CZ 4.22Å; F243-F285 HydrophobicContact CE1-CD2 4.02Å; F243-F285 AromaticContact CE1-CE2 3.97Å; F243-F285 HydrophobicContact CE1-CE2 3.97Å; F243-L343 HydrophobicContact CB-CD1 4.31Å; F243-L343 HydrophobicContact CD2-CD1 4.13Å
244	A	98.1	Very high	96.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58.7	-41.5	177	0	0	0	0	0	113.4	A240 T241 M246 L247 F285 M288 S289	A240-A244 PolarHBondContact O-N 2.96Å; T241-A244 PolarHBondContact O-N 2.95Å; A244-M246 PolarHBondContact O-N 2.87Å; A244-L247 WeakPolarHBondContact O-CB 3.39Å; A244-L247 PolarHBondContact O-N 3.45Å; A244-F285 HydrophobicContact CB-CB 3.99Å; A244-M288 HydrophobicContact CB-CB 3.56Å; A244-M288 HydrophobicContact CB-SD 4.39Å; A244-S289 VanDerWaalsContact O-CB 3.29Å; A244-S289 WeakPolarHBondContact O-CB 3.39Å; A244-S289 PolarHBondContact O-OG 3.5Å
245	K	97.6	Very high	96.8	Very high	98 Å²	98	46.2 Å²	46.2	43%	0.426	23%	0.228	S	C	.	.	H	α-helix	trans	-63.7	-24.8	173.9	-72.8	160.6	-172.8	156.1	0	112.8	T241 F243 F292	T241-K245 WeakPolarHBondContact O-CB 3.49Å; T241-K245 VanDerWaalsContact O-CD 3.25Å; T241-K245 WeakPolarHBondContact O-CD 3.46Å; T241-K245 WeakPolarHBondContact O-CG 3.45Å; T241-K245 PolarHBondContact O-N 2.87Å; T241-K245 PolarHBondContact OG1-NZ 3.1Å; F243-K245 VanDerWaalsContact C-N 3.35Å; F243-K245 PolarHBondContact O-N 2.9Å; K245-F292 HydrophobicContact CD-CD1 4.5Å; K245-F292 HydrophobicContact CD-CD2 4.25Å; K245-F292 HydrophobicContact CD-CE2 4.45Å; K245-F292 HydrophobicContact CD-CG 4.32Å; K245-F292 VanDerWaalsContact CE-CD1 3.46Å; K245-F292 HydrophobicContact CG-CB 3.99Å; K245-F292 HydrophobicContact CG-CD1 4.29Å; K245-F292 HydrophobicContact CG-CD2 3.56Å; K245-F292 HydrophobicContact CG-CE2 4.19Å; K245-F292 HydrophobicContact CG-CG 3.67Å
246	M	96.1	Very high	96.8	Very high	23 Å²	23	44.2 Å²	44.2	11%	0.113	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.9	4.3	-179.7	-71.7	-174.4	55.6	0	0	114	F242 F243 A244 D248 H249 Y251 T252 F257 R345	F242-M246 WeakPolarHBondContact O-CG 3.3Å; F242-M246 PolarHBondContact O-N 2.87Å; F243-M246 CarbonylContact O-C 3.54Å; F243-M246 WeakPolarHBondContact O-CA 3.5Å; F243-M246 PolarHBondContact O-N 2.74Å; A244-M246 PolarHBondContact O-N 2.87Å; M246-D248 VanDerWaalsContact C-N 3.28Å; M246-D248 PolarHBondContact O-N 3.1Å; M246-D248 VanDerWaalsContact O-N 3.14Å; M246-H249 WeakPolarHBondContact O-CB 3.41Å; M246-H249 PolarHBondContact O-N 2.86Å; M246-Y251 HydrophobicContact CE-CD2 3.88Å; M246-Y251 HydrophobicContact CE-CG 4.05Å; M246-T252 HydrophobicContact CB-CG2 3.96Å; M246-T252 WeakPolarHBondContact O-CG2 3.21Å; M246-F257 HydrophobicContact CE-CE1 4.26Å; M246-F257 HydrophobicContact CE-CE2 3.98Å; M246-F257 HydrophobicContact CE-CZ 3.47Å; M246-F257 VanDerWaalsContact CE-CZ 3.47Å; M246-F257 HydrophobicContact SD-CZ 4.06Å; M246-R345 HydrophobicContact CE-CG 3.91Å; M246-R345 HydrophobicContact SD-CG 4.41Å
247	L	94.9	Very high	96.8	Very high	53 Å²	53	44.2 Å²	44.2	28%	0.277	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-37.3	-169.3	-166.6	63.1	0	0	0	113.9	F243 A244 H249 T252 F285	F243-L247 HydrophobicContact CE1-CD1 4.18Å; F243-L247 PolarHBondContact O-N 2.92Å; F243-L247 VanDerWaalsContact O-N 3.1Å; A244-L247 WeakPolarHBondContact O-CB 3.39Å; A244-L247 PolarHBondContact O-N 3.45Å; L247-H249 VanDerWaalsContact C-N 3.3Å; L247-H249 PolarHBondContact O-N 2.98Å; L247-T252 PolarHBondContact O-OG1 2.89Å; L247-T252 VanDerWaalsContact O-OG1 3.12Å; L247-F285 HydrophobicContact CD2-CB 4.49Å
248	D	92.9	Very high	96.8	Very high	83 Å²	83	46.4 Å²	46.4	44%	0.444	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-1.5	176.8	-82.2	22	0	0	0	114.3	R126 M246 K293	R126-D248 IonicContact CZ-OD2 3.88Å; R126-D248 VanDerWaalsContact CZ-OD2 3.3Å; R126-D248 IonicContact NE-OD2 2.71Å; R126-D248 PolarHBondContact NE-OD2 2.82Å; R126-D248 IonicContact NH2-OD1 2.82Å; R126-D248 PolarHBondContact NH2-OD1 2.97Å; R126-D248 IonicContact NH2-OD2 3.2Å; R126-D248 PolarHBondContact NH2-OD2 2.89Å; M246-D248 VanDerWaalsContact C-N 3.28Å; M246-D248 PolarHBondContact O-N 3.1Å; M246-D248 VanDerWaalsContact O-N 3.14Å; D248-K293 VanDerWaalsContact CG-NZ 3.33Å; D248-K293 IonicContact OD1-NZ 3.76Å; D248-K293 PolarHBondContact OD1-NZ 3.07Å; D248-K293 IonicContact OD2-NZ 2.73Å; D248-K293 PolarHBondContact OD2-NZ 3.05Å
249	H	94.3	Very high	96.7	Very high	56 Å²	56	52.7 Å²	52.7	26%	0.259	25%	0.254	S	S	.	.	S	Bend	trans	-105.3	130.2	-174	-170.5	-30.7	0	0	0	112.2	M246 L247 Y251 T252 R345	M246-H249 WeakPolarHBondContact O-CB 3.41Å; M246-H249 PolarHBondContact O-N 2.86Å; L247-H249 VanDerWaalsContact C-N 3.3Å; L247-H249 PolarHBondContact O-N 2.98Å; H249-Y251 AromaticContact CE1-CD2 3.28Å; H249-Y251 WeakPolarHBondContact CE1-CD2 3.14Å; H249-Y251 AromaticContact CE1-CE2 3.61Å; H249-Y251 AromaticContact ND1-CD2 3.65Å; H249-Y251 PolarHBondContact ND1-N 3.11Å; H249-Y251 AromaticContact NE2-CD2 3.61Å; H249-Y251 AromaticContact NE2-CE2 3.83Å; H249-Y251 PolarHBondContact O-N 3.42Å; H249-T252 PolarHBondContact O-N 3.25Å; H249-T252 PolarHBondContact O-OG1 3.05Å; H249-R345 PolarHBondContact CD2-NH2 3.19Å; H249-R345 PolarHBondContact NE2-NH2 3.01Å
250	E	93.1	Very high	96.7	Very high	127 Å²	127	53.5 Å²	53.5	59%	0.593	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-32.3	-21.7	170.5	-162.9	-168.1	132.1	0	0	118.6	T253	E250-T253 PolarHBondContact O-OG1 3.24Å
251	Y	95.3	Very high	96.7	Very high	39 Å²	39	53.5 Å²	53.5	15%	0.153	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-38	170.8	-81	-68.2	0	0	0	112.4	M246 H249 T253 K254 F257 R345 G346 M353	M246-Y251 HydrophobicContact CE-CD2 3.88Å; M246-Y251 HydrophobicContact CE-CG 4.05Å; H249-Y251 AromaticContact CE1-CD2 3.28Å; H249-Y251 WeakPolarHBondContact CE1-CD2 3.14Å; H249-Y251 AromaticContact CE1-CE2 3.61Å; H249-Y251 AromaticContact ND1-CD2 3.65Å; H249-Y251 PolarHBondContact ND1-N 3.11Å; H249-Y251 AromaticContact NE2-CD2 3.61Å; H249-Y251 AromaticContact NE2-CE2 3.83Å; H249-Y251 PolarHBondContact O-N 3.42Å; Y251-T253 PolarHBondContact O-N 2.96Å; Y251-K254 PolarHBondContact O-N 3.24Å; Y251-F257 AromaticContact CD1-CD2 3.6Å; Y251-F257 HydrophobicContact CD1-CD2 3.6Å; Y251-F257 AromaticContact CD1-CE2 3.92Å; Y251-F257 HydrophobicContact CD1-CE2 3.92Å; Y251-F257 HydrophobicContact CD1-CG 4.42Å; Y251-F257 AromaticContact CG-CD2 3.93Å; Y251-F257 HydrophobicContact CG-CD2 3.93Å; Y251-F257 AromaticContact CG-CE2 3.9Å; Y251-F257 HydrophobicContact CG-CE2 3.9Å; Y251-F257 WeakPolarHBondContact O-CB 3.35Å; Y251-F257 WeakPolarHBondContact O-CD1 3.48Å; Y251-F257 VanDerWaalsContact O-CG 3.3Å; Y251-F257 WeakPolarHBondContact O-CG 3.39Å; Y251-R345 HydrophobicContact CD2-CG 3.99Å; Y251-R345 HydrophobicContact CE1-CB 4.5Å; Y251-R345 HydrophobicContact CE2-CB 3.92Å; Y251-R345 HydrophobicContact CE2-CG 3.89Å; Y251-R345 HydrophobicContact CG-CG 4.49Å; Y251-G346 PolarHBondContact OH-O 2.92Å; Y251-M353 HydrophobicContact CD1-SD 4Å; Y251-M353 HydrophobicContact CE1-SD 4.19Å
252	T	95.9	Very high	96.7	Very high	6 Å²	6	55.1 Å²	55.1	4%	0.037	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-12.4	-178.3	59.1	0	0	0	0	113.5	F243 M246 L247 H249 F257 R258	F243-T252 HydrophobicContact CD2-CG2 4.17Å; F243-T252 HydrophobicContact CE1-CG2 4.17Å; F243-T252 HydrophobicContact CE2-CG2 3.8Å; F243-T252 HydrophobicContact CZ-CG2 3.8Å; M246-T252 HydrophobicContact CB-CG2 3.96Å; M246-T252 WeakPolarHBondContact O-CG2 3.21Å; L247-T252 PolarHBondContact O-OG1 2.89Å; L247-T252 VanDerWaalsContact O-OG1 3.12Å; H249-T252 PolarHBondContact O-N 3.25Å; H249-T252 PolarHBondContact O-OG1 3.05Å; T252-F257 HydrophobicContact CG2-CE1 4.45Å; T252-R258 VanDerWaalsContact O-CD 3.23Å; T252-R258 WeakPolarHBondContact O-CD 3.19Å; T252-R258 VanDerWaalsContact O-CG 3.23Å; T252-R258 WeakPolarHBondContact O-CG 3.46Å; T252-R258 PolarHBondContact O-NH1 2.94Å
253	T	95	Very high	96.7	Very high	102 Å²	102	60.7 Å²	60.7	63%	0.626	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-10.3	171.7	50.3	0	0	0	0	113.9	E250 Y251	E250-T253 PolarHBondContact O-OG1 3.24Å; Y251-T253 PolarHBondContact O-N 2.96Å
254	K	96.7	Very high	96.8	Very high	57 Å²	57	60.8 Å²	60.8	25%	0.248	29%	0.291	C	S	.	.			trans	-85.4	125.4	176.3	-72.6	-165.9	173.7	-160	0	111.4	Y251 I256 F257 R258 D349 M353	Y251-K254 PolarHBondContact O-N 3.24Å; K254-I256 VanDerWaalsContact C-N 3.35Å; K254-I256 PolarHBondContact O-N 3.43Å; K254-F257 HydrophobicContact CB-CB 4.19Å; K254-F257 WeakPolarHBondContact O-CB 3.42Å; K254-F257 PolarHBondContact O-N 2.98Å; K254-R258 WeakPolarHBondContact O-CG 3.32Å; K254-R258 PolarHBondContact O-N 3.35Å; K254-D349 IonicContact NZ-OD1 3.68Å; K254-D349 PolarHBondContact NZ-OD1 3.1Å; K254-D349 IonicContact NZ-OD2 3.3Å; K254-M353 HydrophobicContact CB-SD 4.14Å; K254-M353 HydrophobicContact CD-CE 4.05Å; K254-M353 HydrophobicContact CD-SD 3.72Å
255	D	97.1	Very high	96.8	Very high	127 Å²	127	60.8 Å²	60.8	68%	0.679	29%	0.291	S	S	*	.	H	α-helix	trans	-62.1	-36.4	-175.5	-71.4	-49.1	0	0	0	114.2	F257 R258 K259	D255-F257 VanDerWaalsContact C-N 3.32Å; D255-F257 PolarHBondContact O-N 2.98Å; D255-R258 PolarHBondContact O-N 2.88Å; D255-K259 WeakPolarHBondContact O-CB 3.37Å; D255-K259 PolarHBondContact O-N 2.76Å
256	I	97.4	Very high	96.8	Very high	72 Å²	72	59.7 Å²	59.7	37%	0.369	28%	0.284	S	S	.	.	H	α-helix	trans	-58.2	-46.6	173.7	-61.7	177.2	0	0	0	110.3	K254 K259 N260 P351 M353	K254-I256 VanDerWaalsContact C-N 3.35Å; K254-I256 PolarHBondContact O-N 3.43Å; I256-K259 PolarHBondContact O-N 2.62Å; I256-N260 WeakPolarHBondContact O-CB 3.35Å; I256-N260 PolarHBondContact O-N 3.13Å; I256-N260 PolarHBondContact O-ND2 3.06Å; I256-P351 WeakPolarHBondContact CG2-O 3.38Å; I256-M353 HydrophobicContact CB-CG 4.22Å; I256-M353 HydrophobicContact CG2-CG 3.81Å
257	F	98.3	Very high	96.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-63	-45.5	178.4	-168.7	-83.5	0	0	0	111.5	F243 M246 Y251 T252 K254 D255 F261 L343 R345 M353 G354	F243-F257 HydrophobicContact CD2-CE1 4.18Å; F243-F257 HydrophobicContact CE2-CD1 4.29Å; F243-F257 HydrophobicContact CE2-CE1 4.19Å; M246-F257 HydrophobicContact CE-CE1 4.26Å; M246-F257 HydrophobicContact CE-CE2 3.98Å; M246-F257 HydrophobicContact CE-CZ 3.47Å; M246-F257 VanDerWaalsContact CE-CZ 3.47Å; M246-F257 HydrophobicContact SD-CZ 4.06Å; Y251-F257 AromaticContact CD1-CD2 3.6Å; Y251-F257 HydrophobicContact CD1-CD2 3.6Å; Y251-F257 AromaticContact CD1-CE2 3.92Å; Y251-F257 HydrophobicContact CD1-CE2 3.92Å; Y251-F257 HydrophobicContact CD1-CG 4.42Å; Y251-F257 AromaticContact CG-CD2 3.93Å; Y251-F257 HydrophobicContact CG-CD2 3.93Å; Y251-F257 AromaticContact CG-CE2 3.9Å; Y251-F257 HydrophobicContact CG-CE2 3.9Å; Y251-F257 WeakPolarHBondContact O-CB 3.35Å; Y251-F257 WeakPolarHBondContact O-CD1 3.48Å; Y251-F257 VanDerWaalsContact O-CG 3.3Å; Y251-F257 WeakPolarHBondContact O-CG 3.39Å; T252-F257 HydrophobicContact CG2-CE1 4.45Å; K254-F257 HydrophobicContact CB-CB 4.19Å; K254-F257 WeakPolarHBondContact O-CB 3.42Å; K254-F257 PolarHBondContact O-N 2.98Å; D255-F257 VanDerWaalsContact C-N 3.32Å; D255-F257 PolarHBondContact O-N 2.98Å; F257-F261 WeakPolarHBondContact O-CB 3.46Å; F257-F261 PolarHBondContact O-N 2.87Å; F257-L343 HydrophobicContact CE1-CD1 3.67Å; F257-L343 HydrophobicContact CE2-CB 4.33Å; F257-L343 HydrophobicContact CZ-CB 3.77Å; F257-L343 HydrophobicContact CZ-CD1 3.63Å; F257-L343 HydrophobicContact CZ-CG 4.35Å; F257-R345 HydrophobicContact CE2-CG 4.35Å; F257-M353 WeakPolarHBondContact CA-O 3.45Å; F257-M353 HydrophobicContact CB-CG 3.89Å; F257-M353 HydrophobicContact CB-SD 3.93Å; F257-M353 HydrophobicContact CD2-CB 4.07Å; F257-M353 HydrophobicContact CD2-CG 4.08Å; F257-M353 HydrophobicContact CD2-SD 4.35Å; F257-M353 HydrophobicContact CG-CG 4.49Å; F257-G354 VanDerWaalsContact CE2-CA 3.43Å
258	R	98.1	Very high	97	Very high	67 Å²	67	65.4 Å²	65.4	25%	0.253	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-47.2	177.9	-66.3	175.5	71.7	76.5	4.1	111.9	T252 K254 D255 F262 L280	T252-R258 VanDerWaalsContact O-CD 3.23Å; T252-R258 WeakPolarHBondContact O-CD 3.19Å; T252-R258 VanDerWaalsContact O-CG 3.23Å; T252-R258 WeakPolarHBondContact O-CG 3.46Å; T252-R258 PolarHBondContact O-NH1 2.94Å; K254-R258 WeakPolarHBondContact O-CG 3.32Å; K254-R258 PolarHBondContact O-N 3.35Å; D255-R258 PolarHBondContact O-N 2.88Å; R258-F262 WeakPolarHBondContact O-CB 3.4Å; R258-F262 PolarHBondContact O-N 3.37Å; R258-L280 HydrophobicContact CB-CD2 3.85Å; R258-L280 HydrophobicContact CG-CD2 4.32Å
259	K	98.3	Very high	97.3	Very high	161 Å²	161	61.7 Å²	61.7	70%	0.7	29%	0.287	S	S	*	.	H	α-helix	trans	-62.5	-46.8	179.6	-177.3	177.8	-179.4	179	0	111.7	D255 I256 K263	D255-K259 WeakPolarHBondContact O-CB 3.37Å; D255-K259 PolarHBondContact O-N 2.76Å; I256-K259 PolarHBondContact O-N 2.62Å; K259-K263 VanDerWaalsContact O-CB 3.29Å; K259-K263 WeakPolarHBondContact O-CB 3.43Å; K259-K263 PolarHBondContact O-N 2.89Å
260	N	98.4	Very high	97.5	Very high	24 Å²	24	61.6 Å²	61.6	13%	0.128	29%	0.29	C	S	.	.	H	α-helix	trans	-69.6	-43.1	178.9	-73	-22.6	0	0	0	112.4	I256 F262 K263 D264 P351 M353 M355	I256-N260 WeakPolarHBondContact O-CB 3.35Å; I256-N260 PolarHBondContact O-N 3.13Å; I256-N260 PolarHBondContact O-ND2 3.06Å; N260-F262 VanDerWaalsContact C-N 3.34Å; N260-F262 PolarHBondContact O-N 3.29Å; N260-K263 PolarHBondContact O-N 3.29Å; N260-D264 PolarHBondContact O-N 3.28Å; N260-P351 PolarHBondContact ND2-O 3.38Å; N260-M353 VanDerWaalsContact CB-O 3.26Å; N260-M353 WeakPolarHBondContact CB-O 3.48Å; N260-M353 PolarHBondContact ND2-O 2.76Å; N260-M355 HydrophobicContact CB-CG 3.81Å
261	F	98.7	Very high	97.6	Very high	1 Å²	1	59.6 Å²	59.6	0%	0.004	29%	0.291	C	S	.	.	H	α-helix	trans	-54.8	-51.4	173.3	165.7	-109.6	0	0	0	110.8	V239 F243 F257 K263 D264 W265 L280 F285 L343 G354	V239-F261 HydrophobicContact CG1-CE2 3.9Å; F243-F261 HydrophobicContact CB-CD1 4.36Å; F243-F261 HydrophobicContact CB-CD2 4.24Å; F243-F261 HydrophobicContact CB-CE1 3.83Å; F243-F261 HydrophobicContact CB-CE2 3.7Å; F243-F261 HydrophobicContact CB-CZ 3.48Å; F243-F261 VanDerWaalsContact CB-CZ 3.48Å; F243-F261 HydrophobicContact CD1-CE1 4.29Å; F243-F261 HydrophobicContact CD2-CB 4.27Å; F243-F261 AromaticContact CD2-CD1 3.35Å; F243-F261 HydrophobicContact CD2-CD1 3.35Å; F243-F261 HydrophobicContact CD2-CD2 4.03Å; F243-F261 AromaticContact CD2-CE1 3.63Å; F243-F261 HydrophobicContact CD2-CE1 3.63Å; F243-F261 HydrophobicContact CD2-CE2 4.26Å; F243-F261 AromaticContact CD2-CG 3.58Å; F243-F261 HydrophobicContact CD2-CG 3.58Å; F243-F261 HydrophobicContact CD2-CZ 4.09Å; F243-F261 HydrophobicContact CE2-CB 4.5Å; F243-F261 AromaticContact CE2-CD1 3.72Å; F243-F261 HydrophobicContact CE2-CD1 3.72Å; F243-F261 HydrophobicContact CE2-CE1 4.24Å; F243-F261 HydrophobicContact CE2-CG 4.14Å; F243-F261 AromaticContact CG-CD1 3.91Å; F243-F261 HydrophobicContact CG-CD1 3.91Å; F243-F261 AromaticContact CG-CE1 3.66Å; F243-F261 HydrophobicContact CG-CE1 3.66Å; F243-F261 HydrophobicContact CG-CE2 4.3Å; F243-F261 HydrophobicContact CG-CG 4.35Å; F243-F261 AromaticContact CG-CZ 3.88Å; F243-F261 HydrophobicContact CG-CZ 3.88Å; F257-F261 WeakPolarHBondContact O-CB 3.46Å; F257-F261 PolarHBondContact O-N 2.87Å; F261-K263 PolarHBondContact O-N 2.82Å; F261-D264 PolarHBondContact O-N 3.32Å; F261-W265 HydrophobicContact CD2-CB 4.39Å; F261-W265 HydrophobicContact CE1-CD2 4.23Å; F261-W265 AromaticContact CE1-CE3 3.69Å; F261-W265 HydrophobicContact CE1-CE3 3.69Å; F261-W265 HydrophobicContact CE1-CZ3 4.31Å; F261-W265 HydrophobicContact CE2-CB 3.94Å; F261-W265 HydrophobicContact CE2-CD2 4.45Å; F261-W265 HydrophobicContact CE2-CG 4.15Å; F261-W265 HydrophobicContact CZ-CB 4.03Å; F261-W265 AromaticContact CZ-CD2 3.74Å; F261-W265 HydrophobicContact CZ-CD2 3.74Å; F261-W265 AromaticContact CZ-CE3 3.68Å; F261-W265 HydrophobicContact CZ-CE3 3.68Å; F261-W265 AromaticContact CZ-CG 3.91Å; F261-W265 HydrophobicContact CZ-CG 3.91Å; F261-W265 HydrophobicContact CZ-CZ3 4.45Å; F261-W265 WeakPolarHBondContact O-CB 3.47Å; F261-W265 PolarHBondContact O-N 3.35Å; F261-L280 HydrophobicContact CD1-CD1 4.01Å; F261-L280 HydrophobicContact CD1-CD2 4.23Å; F261-L280 HydrophobicContact CE1-CD1 3.72Å; F261-F285 HydrophobicContact CE1-CZ 4.21Å; F261-F285 HydrophobicContact CZ-CZ 4.48Å; F261-L343 HydrophobicContact CB-CD1 4.43Å; F261-L343 HydrophobicContact CD2-CD1 3.62Å; F261-L343 HydrophobicContact CD2-CD2 3.71Å; F261-L343 HydrophobicContact CD2-CG 4.32Å; F261-L343 HydrophobicContact CE2-CD1 4.24Å; F261-L343 HydrophobicContact CE2-CD2 4.28Å; F261-L343 HydrophobicContact CG-CD1 4.21Å; F261-G354 WeakPolarHBondContact CA-O 3.49Å; F261-G354 PolarHBondContact N-O 3.36Å
262	F	98.6	Very high	97.7	Very high	33 Å²	33	63.5 Å²	63.5	15%	0.145	31%	0.31	C	S	.	.	H	α-helix	trans	-66.1	-38.7	-177.3	-164.5	-119.3	0	0	0	112.5	R258 N260 D264 W265 R266 I277 T278 L280	R258-F262 WeakPolarHBondContact O-CB 3.4Å; R258-F262 PolarHBondContact O-N 3.37Å; N260-F262 VanDerWaalsContact C-N 3.34Å; N260-F262 PolarHBondContact O-N 3.29Å; F262-D264 PolarHBondContact O-N 2.68Å; F262-W265 AromaticContact CD2-CE3 3.92Å; F262-W265 HydrophobicContact CD2-CE3 3.92Å; F262-W265 HydrophobicContact CD2-CZ3 4.21Å; F262-W265 HydrophobicContact CE2-CE3 4.21Å; F262-W265 HydrophobicContact CE2-CZ3 4.14Å; F262-R266 HydrophobicContact CE1-CG 4.42Å; F262-R266 HydrophobicContact CE2-CG 4.36Å; F262-R266 HydrophobicContact CZ-CG 4.28Å; F262-R266 VanDerWaalsContact O-CB 3.31Å; F262-R266 WeakPolarHBondContact O-CB 3.31Å; F262-R266 WeakPolarHBondContact O-CG 3.49Å; F262-R266 PolarHBondContact O-N 3.28Å; F262-I277 HydrophobicContact CE2-CG2 4.17Å; F262-I277 WeakPolarHBondContact CZ-O 3.27Å; F262-T278 WeakPolarHBondContact CE1-O 3.46Å; F262-T278 WeakPolarHBondContact CZ-O 3.44Å; F262-L280 HydrophobicContact CB-CB 4.45Å; F262-L280 HydrophobicContact CB-CD2 4.39Å; F262-L280 HydrophobicContact CD2-CB 3.74Å; F262-L280 HydrophobicContact CD2-CD1 4.05Å; F262-L280 HydrophobicContact CD2-CG 4.38Å; F262-L280 HydrophobicContact CE2-CB 4.06Å; F262-L280 HydrophobicContact CG-CB 4.03Å
263	K	98.5	Very high	97.8	Very high	141 Å²	141	63.6 Å²	63.6	61%	0.613	31%	0.31	S	S	*	.	H	α-helix	trans	-61.4	-39.8	175.3	-179.4	-178.5	177.8	-176.8	0	112.7	K259 N260 F261	K259-K263 VanDerWaalsContact O-CB 3.29Å; K259-K263 WeakPolarHBondContact O-CB 3.43Å; K259-K263 PolarHBondContact O-N 2.89Å; N260-K263 PolarHBondContact O-N 3.29Å; F261-K263 PolarHBondContact O-N 2.82Å
264	D	98.6	Very high	97.8	Very high	7 Å²	7	62 Å²	62	4%	0.037	30%	0.295	C	S	.	.	H	α-helix	trans	-83.7	-40.2	179.9	-75.7	-11.5	0	0	0	112.2	N260 F261 F262 R266 K267 M355 L356	N260-D264 PolarHBondContact O-N 3.28Å; F261-D264 PolarHBondContact O-N 3.32Å; F262-D264 PolarHBondContact O-N 2.68Å; D264-R266 VanDerWaalsContact C-N 3.29Å; D264-R266 PolarHBondContact O-N 3.37Å; D264-K267 VanDerWaalsContact O-CB 3.27Å; D264-K267 WeakPolarHBondContact O-CB 3.36Å; D264-K267 PolarHBondContact O-N 3.48Å; D264-K267 WeakPolarHBondContact OD1-CE 3.39Å; D264-K267 IonicContact OD1-NZ 2.77Å; D264-K267 PolarHBondContact OD1-NZ 3.27Å; D264-M355 WeakPolarHBondContact OD2-CA 3.27Å; D264-M355 WeakPolarHBondContact OD2-CB 3.48Å; D264-L356 HydrophobicContact CB-CB 3.81Å; D264-L356 PolarHBondContact OD2-N 2.99Å
265	W	98.7	Very high	97.8	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-59.6	-39.3	175.3	-177.6	35.7	0	0	0	112	F223 L232 A236 V239 A240 F261 F262 K267 E268 M269 I277 L280 F285	F223-W265 HydrophobicContact CE1-CH2 4.45Å; F223-W265 HydrophobicContact CE2-CH2 4.1Å; F223-W265 AromaticContact CZ-CH2 3.78Å; F223-W265 HydrophobicContact CZ-CH2 3.78Å; F223-W265 HydrophobicContact CZ-CZ2 4.44Å; L232-W265 HydrophobicContact CD1-CZ2 4.1Å; L232-W265 HydrophobicContact CD2-CZ2 4.45Å; A236-W265 PolarHBondContact O-NE1 3.35Å; V239-W265 HydrophobicContact CG1-CB 3.81Å; V239-W265 HydrophobicContact CG1-CG 3.87Å; A240-W265 HydrophobicContact CB-CZ2 3.87Å; F261-W265 HydrophobicContact CD2-CB 4.39Å; F261-W265 HydrophobicContact CE1-CD2 4.23Å; F261-W265 AromaticContact CE1-CE3 3.69Å; F261-W265 HydrophobicContact CE1-CE3 3.69Å; F261-W265 HydrophobicContact CE1-CZ3 4.31Å; F261-W265 HydrophobicContact CE2-CB 3.94Å; F261-W265 HydrophobicContact CE2-CD2 4.45Å; F261-W265 HydrophobicContact CE2-CG 4.15Å; F261-W265 HydrophobicContact CZ-CB 4.03Å; F261-W265 AromaticContact CZ-CD2 3.74Å; F261-W265 HydrophobicContact CZ-CD2 3.74Å; F261-W265 AromaticContact CZ-CE3 3.68Å; F261-W265 HydrophobicContact CZ-CE3 3.68Å; F261-W265 AromaticContact CZ-CG 3.91Å; F261-W265 HydrophobicContact CZ-CG 3.91Å; F261-W265 HydrophobicContact CZ-CZ3 4.45Å; F261-W265 WeakPolarHBondContact O-CB 3.47Å; F261-W265 PolarHBondContact O-N 3.35Å; F262-W265 AromaticContact CD2-CE3 3.92Å; F262-W265 HydrophobicContact CD2-CE3 3.92Å; F262-W265 HydrophobicContact CD2-CZ3 4.21Å; F262-W265 HydrophobicContact CE2-CE3 4.21Å; F262-W265 HydrophobicContact CE2-CZ3 4.14Å; W265-K267 PolarHBondContact O-N 3.29Å; W265-K267 VanDerWaalsContact O-N 3.09Å; W265-E268 PolarHBondContact O-N 3.2Å; W265-M269 HydrophobicContact CD2-CE 3.38Å; W265-M269 HydrophobicContact CE3-CE 3.6Å; W265-M269 HydrophobicContact CG-CE 3.92Å; W265-M269 HydrophobicContact CH2-CE 3.84Å; W265-M269 HydrophobicContact CZ2-CE 3.65Å; W265-M269 HydrophobicContact CZ3-CE 3.82Å; W265-M269 PolarHBondContact O-N 2.79Å; W265-I277 HydrophobicContact CH2-CD1 4.43Å; W265-I277 HydrophobicContact CH2-CG2 3.98Å; W265-I277 HydrophobicContact CZ2-CD1 4.5Å; W265-I277 HydrophobicContact CZ3-CG2 4.01Å; W265-L280 HydrophobicContact CZ3-CD1 4.41Å; W265-F285 AromaticContact CH2-CE1 3.94Å; W265-F285 HydrophobicContact CH2-CE1 3.94Å; W265-F285 AromaticContact CH2-CZ 3.88Å; W265-F285 HydrophobicContact CH2-CZ 3.88Å; W265-F285 HydrophobicContact CZ2-CE1 4.37Å; W265-F285 HydrophobicContact CZ3-CE1 4.29Å; W265-F285 AromaticContact CZ3-CZ 3.81Å; W265-F285 HydrophobicContact CZ3-CZ 3.81Å
266	R	98.1	Very high	97.8	Very high	75 Å²	75	60.3 Å²	60.3	28%	0.283	30%	0.297	S	S	.	.	H	α-helix	trans	-65.1	-4.1	172.2	-78.8	-173.7	61.6	85.4	4.8	115	F262 D264 M269 K274 I277	F262-R266 HydrophobicContact CE1-CG 4.42Å; F262-R266 HydrophobicContact CE2-CG 4.36Å; F262-R266 HydrophobicContact CZ-CG 4.28Å; F262-R266 VanDerWaalsContact O-CB 3.31Å; F262-R266 WeakPolarHBondContact O-CB 3.31Å; F262-R266 WeakPolarHBondContact O-CG 3.49Å; F262-R266 PolarHBondContact O-N 3.28Å; D264-R266 VanDerWaalsContact C-N 3.29Å; D264-R266 PolarHBondContact O-N 3.37Å; R266-M269 HydrophobicContact CB-SD 4.4Å; R266-M269 HydrophobicContact CG-CE 4.12Å; R266-M269 HydrophobicContact CG-SD 3.88Å; R266-K274 VanDerWaalsContact CZ-O 3.25Å; R266-K274 PolarHBondContact NH1-O 2.59Å; R266-K274 PolarHBondContact NH2-O 2.97Å; R266-K274 WeakPolarHBondContact O-CE 3.49Å; R266-I277 PolarHBondContact NH1-O 2.89Å
267	K	98	Very high	97.8	Very high	110 Å²	110	56.9 Å²	56.9	48%	0.478	28%	0.28	S	S	.	.	H	α-helix	trans	-84.2	-46.9	170.8	-62.9	169.8	-177.5	167.6	0	111.3	D264 W265 M269 K274	D264-K267 VanDerWaalsContact O-CB 3.27Å; D264-K267 WeakPolarHBondContact O-CB 3.36Å; D264-K267 PolarHBondContact O-N 3.48Å; D264-K267 WeakPolarHBondContact OD1-CE 3.39Å; D264-K267 IonicContact OD1-NZ 2.77Å; D264-K267 PolarHBondContact OD1-NZ 3.27Å; W265-K267 PolarHBondContact O-N 3.29Å; W265-K267 VanDerWaalsContact O-N 3.09Å; K267-M269 VanDerWaalsContact C-N 3.26Å; K267-M269 PolarHBondContact O-N 2.62Å; K267-K274 WeakPolarHBondContact O-CE 3.47Å; K267-K274 PolarHBondContact O-NZ 3.37Å
268	E	97.9	Very high	97.7	Very high	85 Å²	85	61.1 Å²	61.1	40%	0.397	31%	0.306	S	S	.	.	H	α-helix	trans	-75.2	-11.6	-175	-42.3	-54.6	120.9	0	0	113.6	E235 V239 W265 L356	E235-E268 HydrophobicContact CB-CB 4.39Å; V239-E268 HydrophobicContact CG2-CG 4.08Å; W265-E268 PolarHBondContact O-N 3.2Å; E268-L356 HydrophobicContact CG-CD2 3.79Å
269	M	97.9	Very high	97.6	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.03	31%	0.31	C	S	.	.	S	Bend	trans	-66.7	154.7	172.1	-78	177.8	-169.8	0	0	114.2	A236 W265 R266 K267 E273 K274 I277	A236-M269 HydrophobicContact CB-CG 4Å; W265-M269 HydrophobicContact CD2-CE 3.38Å; W265-M269 HydrophobicContact CE3-CE 3.6Å; W265-M269 HydrophobicContact CG-CE 3.92Å; W265-M269 HydrophobicContact CH2-CE 3.84Å; W265-M269 HydrophobicContact CZ2-CE 3.65Å; W265-M269 HydrophobicContact CZ3-CE 3.82Å; W265-M269 PolarHBondContact O-N 2.79Å; R266-M269 HydrophobicContact CB-SD 4.4Å; R266-M269 HydrophobicContact CG-CE 4.12Å; R266-M269 HydrophobicContact CG-SD 3.88Å; K267-M269 VanDerWaalsContact C-N 3.26Å; K267-M269 PolarHBondContact O-N 2.62Å; M269-E273 VanDerWaalsContact CA-OE2 3.3Å; M269-E273 WeakPolarHBondContact CA-OE2 3.26Å; M269-E273 HydrophobicContact CB-CB 3.71Å; M269-E273 HydrophobicContact CG-CB 3.82Å; M269-E273 HydrophobicContact SD-CB 4.14Å; M269-K274 HydrophobicContact CB-CD 4.45Å; M269-K274 HydrophobicContact CB-CG 3.82Å; M269-K274 WeakPolarHBondContact O-CE 3.39Å; M269-K274 PolarHBondContact O-NZ 2.82Å; M269-I277 HydrophobicContact CE-CB 3.98Å; M269-I277 HydrophobicContact CE-CD1 3.86Å; M269-I277 HydrophobicContact CE-CG2 3.85Å; M269-I277 HydrophobicContact SD-CB 4.23Å; M269-I277 HydrophobicContact SD-CD1 4.27Å
270	T	98.1	Very high	97.6	Very high	53 Å²	53	53.8 Å²	53.8	33%	0.325	28%	0.28	S	S	.	.			trans	-70.8	174	163.9	80.6	0	0	0	0	112.3	E272 E273 K274	T270-E272 VanDerWaalsContact C-N 3.29Å; T270-E272 WeakPolarHBondContact CB-OE2 3.42Å; T270-E272 PolarHBondContact O-N 2.66Å; T270-E272 PolarHBondContact OG1-N 3.43Å; T270-E272 PolarHBondContact OG1-OE2 2.9Å; T270-E273 PolarHBondContact N-OE2 2.7Å; T270-E273 PolarHBondContact O-N 3.35Å; T270-E273 PolarHBondContact OG1-N 3.49Å; T270-K274 VanDerWaalsContact O-CB 3.3Å; T270-K274 WeakPolarHBondContact O-CB 3.35Å; T270-K274 VanDerWaalsContact O-CD 3.29Å; T270-K274 WeakPolarHBondContact O-CD 3.25Å; T270-K274 WeakPolarHBondContact O-CG 3.22Å; T270-K274 PolarHBondContact O-N 2.93Å
271	S	97.1	Very high	97.5	Very high	86 Å²	86	60.9 Å²	60.9	60%	0.601	31%	0.309	S	S	*	.	H	α-helix	trans	-63.8	-34.6	177.2	-62.6	0	0	0	0	112.8	K274 S275	S271-K274 PolarHBondContact O-N 3.28Å; S271-S275 PolarHBondContact O-N 2.7Å; S271-S275 PolarHBondContact O-OG 3.37Å
272	E	96.4	Very high	97.4	Very high	121 Å²	121	64.8 Å²	64.8	57%	0.565	33%	0.326	S	S	*	.	H	α-helix	trans	-76.1	-38.8	-179.2	-52.3	67.4	-140.9	0	0	111	T270 S275 T276	T270-E272 VanDerWaalsContact C-N 3.29Å; T270-E272 WeakPolarHBondContact CB-OE2 3.42Å; T270-E272 PolarHBondContact O-N 2.66Å; T270-E272 PolarHBondContact OG1-N 3.43Å; T270-E272 PolarHBondContact OG1-OE2 2.9Å; E272-S275 PolarHBondContact O-N 3.44Å; E272-S275 PolarHBondContact O-OG 2.86Å; E272-T276 WeakPolarHBondContact O-CB 3.32Å; E272-T276 PolarHBondContact O-N 3.27Å; E272-T276 VanDerWaalsContact O-N 3.11Å; E272-T276 PolarHBondContact O-OG1 3.09Å
273	E	97.7	Very high	97.4	Very high	8 Å²	8	64 Å²	64	4%	0.037	32%	0.324	C	S	.	.	H	α-helix	trans	-64.4	-42.5	169.2	-68.8	-179.7	128.1	0	0	110.8	M230 L232 S233 M269 T270 S275 T276 I277	M230-E273 HydrophobicContact CE-CG 4.14Å; L232-E273 WeakPolarHBondContact CA-OE1 3.25Å; L232-E273 WeakPolarHBondContact CB-OE1 3.37Å; L232-E273 VanDerWaalsContact CD2-OE1 3.29Å; L232-E273 WeakPolarHBondContact CD2-OE1 3.49Å; S233-E273 WeakPolarHBondContact CB-OE2 3.49Å; S233-E273 PolarHBondContact N-OE1 2.8Å; S233-E273 PolarHBondContact OG-OE1 2.82Å; S233-E273 PolarHBondContact OG-OE2 2.7Å; M269-E273 VanDerWaalsContact CA-OE2 3.3Å; M269-E273 WeakPolarHBondContact CA-OE2 3.26Å; M269-E273 HydrophobicContact CB-CB 3.71Å; M269-E273 HydrophobicContact CG-CB 3.82Å; M269-E273 HydrophobicContact SD-CB 4.14Å; T270-E273 PolarHBondContact N-OE2 2.7Å; T270-E273 PolarHBondContact O-N 3.35Å; T270-E273 PolarHBondContact OG1-N 3.49Å; E273-S275 PolarHBondContact O-N 3.44Å; E273-T276 PolarHBondContact O-N 3.44Å; E273-I277 HydrophobicContact CB-CD1 4.32Å; E273-I277 WeakPolarHBondContact O-CB 3.41Å; E273-I277 WeakPolarHBondContact O-CG1 3.2Å; E273-I277 PolarHBondContact O-N 3.44Å
274	K	96.2	Very high	97.4	Very high	68 Å²	68	60.6 Å²	60.6	30%	0.296	31%	0.313	S	S	.	.	H	α-helix	trans	-63.2	-34.6	176.2	-78.5	160	178.1	148.1	0	113.3	R266 K267 M269 T270 S271	R266-K274 VanDerWaalsContact CZ-O 3.25Å; R266-K274 PolarHBondContact NH1-O 2.59Å; R266-K274 PolarHBondContact NH2-O 2.97Å; R266-K274 WeakPolarHBondContact O-CE 3.49Å; K267-K274 WeakPolarHBondContact O-CE 3.47Å; K267-K274 PolarHBondContact O-NZ 3.37Å; M269-K274 HydrophobicContact CB-CD 4.45Å; M269-K274 HydrophobicContact CB-CG 3.82Å; M269-K274 WeakPolarHBondContact O-CE 3.39Å; M269-K274 PolarHBondContact O-NZ 2.82Å; T270-K274 VanDerWaalsContact O-CB 3.3Å; T270-K274 WeakPolarHBondContact O-CB 3.35Å; T270-K274 VanDerWaalsContact O-CD 3.29Å; T270-K274 WeakPolarHBondContact O-CD 3.25Å; T270-K274 WeakPolarHBondContact O-CG 3.22Å; T270-K274 PolarHBondContact O-N 2.93Å; S271-K274 PolarHBondContact O-N 3.28Å
275	S	96.4	Very high	97.3	Very high	87 Å²	87	60.6 Å²	60.6	61%	0.608	31%	0.312	S	S	*	.	H	α-helix	trans	-77.3	-32.6	176.4	64.3	0	0	0	0	112.4	S271 E272 E273	S271-S275 PolarHBondContact O-N 2.7Å; S271-S275 PolarHBondContact O-OG 3.37Å; E272-S275 PolarHBondContact O-N 3.44Å; E272-S275 PolarHBondContact O-OG 2.86Å; E273-S275 PolarHBondContact O-N 3.44Å
276	T	96.7	Very high	97.3	Very high	61 Å²	61	62.9 Å²	62.9	37%	0.374	33%	0.328	S	S	.	.	H	α-helix	trans	-80.8	-53	-178.5	-53.8	0	0	0	0	112.8	Y225 M230 E272 E273 T278	Y225-T276 HydrophobicContact CD1-CG2 3.93Å; Y225-T276 HydrophobicContact CE1-CG2 4.25Å; Y225-T276 WeakPolarHBondContact CE1-O 3.47Å; Y225-T276 VanDerWaalsContact CZ-O 3.23Å; Y225-T276 PolarHBondContact OH-O 2.83Å; M230-T276 HydrophobicContact CE-CG2 3.97Å; M230-T276 HydrophobicContact SD-CG2 3.9Å; E272-T276 WeakPolarHBondContact O-CB 3.32Å; E272-T276 PolarHBondContact O-N 3.27Å; E272-T276 VanDerWaalsContact O-N 3.11Å; E272-T276 PolarHBondContact O-OG1 3.09Å; E273-T276 PolarHBondContact O-N 3.44Å; T276-T278 PolarHBondContact O-N 2.97Å
277	I	97.5	Very high	97.3	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	33%	0.329	C	S	.	.			trans	-87.8	73.7	-165.6	-51.6	174.7	0	0	0	110.3	F223 Y225 M230 L232 F262 W265 R266 M269 E273 C283	F223-I277 HydrophobicContact CE1-CD1 4.06Å; Y225-I277 HydrophobicContact CD2-CB 4.39Å; Y225-I277 HydrophobicContact CD2-CG1 4.38Å; Y225-I277 HydrophobicContact CD2-CG2 3.92Å; Y225-I277 HydrophobicContact CE2-CB 4.31Å; Y225-I277 HydrophobicContact CE2-CG2 3.88Å; M230-I277 HydrophobicContact CE-CD1 4.22Å; M230-I277 HydrophobicContact CE-CG1 4.26Å; M230-I277 HydrophobicContact SD-CD1 3.96Å; M230-I277 HydrophobicContact SD-CG1 3.93Å; L232-I277 HydrophobicContact CD2-CD1 3.72Å; F262-I277 HydrophobicContact CE2-CG2 4.17Å; F262-I277 WeakPolarHBondContact CZ-O 3.27Å; W265-I277 HydrophobicContact CH2-CD1 4.43Å; W265-I277 HydrophobicContact CH2-CG2 3.98Å; W265-I277 HydrophobicContact CZ2-CD1 4.5Å; W265-I277 HydrophobicContact CZ3-CG2 4.01Å; R266-I277 PolarHBondContact NH1-O 2.89Å; M269-I277 HydrophobicContact CE-CB 3.98Å; M269-I277 HydrophobicContact CE-CD1 3.86Å; M269-I277 HydrophobicContact CE-CG2 3.85Å; M269-I277 HydrophobicContact SD-CB 4.23Å; M269-I277 HydrophobicContact SD-CD1 4.27Å; E273-I277 HydrophobicContact CB-CD1 4.32Å; E273-I277 WeakPolarHBondContact O-CB 3.41Å; E273-I277 WeakPolarHBondContact O-CG1 3.2Å; E273-I277 PolarHBondContact O-N 3.44Å; I277-C283 VanDerWaalsContact CG2-SG 3.57Å
278	T	96.6	Very high	97.3	Very high	90 Å²	90	57 Å²	57	55%	0.552	31%	0.306	S	S	*	.			trans	-91.1	-25.5	-172.2	52.8	0	0	0	0	115.3	Y225 F262 T276	Y225-T278 PolarHBondContact OH-N 3.48Å; Y225-T278 PolarHBondContact OH-OG1 2.76Å; F262-T278 WeakPolarHBondContact CE1-O 3.46Å; F262-T278 WeakPolarHBondContact CZ-O 3.44Å; T276-T278 PolarHBondContact O-N 2.97Å
279	D	96	Very high	97.3	Very high	61 Å²	61	53.1 Å²	53.1	33%	0.326	29%	0.288	S	S	.	.			trans	-128.8	126.3	175.5	-174.7	1.2	0	0	0	112.9	Y225 K281 K282 C283	Y225-D279 WeakPolarHBondContact CE2-O 3.44Å; Y225-D279 PolarHBondContact OH-N 3.44Å; D279-K281 PolarHBondContact O-N 3.48Å; D279-K281 WeakPolarHBondContact OD1-CB 3.1Å; D279-K281 WeakPolarHBondContact OD1-CG 3.32Å; D279-K281 PolarHBondContact OD1-N 2.79Å; D279-K281 WeakPolarHBondContact OD2-CB 3.46Å; D279-K282 HydrophobicContact CB-CD 4.45Å; D279-K282 HydrophobicContact CB-CG 4.38Å; D279-K282 PolarHBondContact O-N 2.99Å; D279-K282 VanDerWaalsContact O-N 3.1Å; D279-C283 PolarHBondContact O-SG 3.17Å; D279-C283 VanDerWaalsContact O-SG 3.34Å
280	L	96.7	Very high	97.3	Very high	13 Å²	13	58.8 Å²	58.8	7%	0.068	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-58.8	-27.9	173.1	-176.1	62.7	0	0	0	112.9	F243 R258 F261 F262 W265 K282 C283 F285	F243-L280 HydrophobicContact CZ-CD2 4.44Å; R258-L280 HydrophobicContact CB-CD2 3.85Å; R258-L280 HydrophobicContact CG-CD2 4.32Å; F261-L280 HydrophobicContact CD1-CD1 4.01Å; F261-L280 HydrophobicContact CD1-CD2 4.23Å; F261-L280 HydrophobicContact CE1-CD1 3.72Å; F262-L280 HydrophobicContact CB-CB 4.45Å; F262-L280 HydrophobicContact CB-CD2 4.39Å; F262-L280 HydrophobicContact CD2-CB 3.74Å; F262-L280 HydrophobicContact CD2-CD1 4.05Å; F262-L280 HydrophobicContact CD2-CG 4.38Å; F262-L280 HydrophobicContact CE2-CB 4.06Å; F262-L280 HydrophobicContact CG-CB 4.03Å; W265-L280 HydrophobicContact CZ3-CD1 4.41Å; L280-K282 VanDerWaalsContact C-N 3.27Å; L280-K282 PolarHBondContact O-N 3.11Å; L280-C283 HydrophobicContact CD1-CB 4.33Å; L280-C283 WeakPolarHBondContact O-CB 3.17Å; L280-C283 PolarHBondContact O-N 3.25Å; L280-F285 HydrophobicContact CD1-CE2 3.83Å; L280-F285 HydrophobicContact CD1-CZ 3.96Å
281	K	96.3	Very high	97.3	Very high	172 Å²	172	59 Å²	59	75%	0.748	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-68.5	-25.5	177	-60	175	-179.7	177.1	0	112.9	D279 C283	D279-K281 PolarHBondContact O-N 3.48Å; D279-K281 WeakPolarHBondContact OD1-CB 3.1Å; D279-K281 WeakPolarHBondContact OD1-CG 3.32Å; D279-K281 PolarHBondContact OD1-N 2.79Å; D279-K281 WeakPolarHBondContact OD2-CB 3.46Å; K281-C283 VanDerWaalsContact C-N 3.33Å
282	K	97.8	Very high	97.3	Very high	84 Å²	84	56.9 Å²	56.9	37%	0.365	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-83.1	-7.9	174.9	-71.1	-179.3	172.2	-118.3	0	113.3	Y225 D226 D279 L280	Y225-K282 WeakPolarHBondContact CA-O 3.43Å; Y225-K282 HydrophobicContact CD2-CB 4Å; Y225-K282 HydrophobicContact CE1-CD 4.43Å; Y225-K282 HydrophobicContact CE2-CB 3.51Å; D226-K282 HydrophobicContact CB-CD 4.28Å; D226-K282 PolarHBondContact N-O 3.12Å; D226-K282 WeakPolarHBondContact OD1-CD 3.45Å; D226-K282 WeakPolarHBondContact OD1-CE 3.46Å; D226-K282 IonicContact OD1-NZ 2.85Å; D226-K282 PolarHBondContact OD1-NZ 3.15Å; D226-K282 IonicContact OD2-NZ 3.28Å; D226-K282 PolarHBondContact OD2-NZ 3.31Å; D279-K282 HydrophobicContact CB-CD 4.45Å; D279-K282 HydrophobicContact CB-CG 4.38Å; D279-K282 PolarHBondContact O-N 2.99Å; D279-K282 VanDerWaalsContact O-N 3.1Å; L280-K282 VanDerWaalsContact C-N 3.27Å; L280-K282 PolarHBondContact O-N 3.11Å
283	C	98.1	Very high	97.3	Very high	15 Å²	15	55.3 Å²	55.3	10%	0.101	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.5	-179.4	-59.1	0	0	0	0	111	F223 I277 D279 L280 K281 F285	F223-C283 HydrophobicContact CE2-CB 3.88Å; F223-C283 HydrophobicContact CZ-CB 3.88Å; I277-C283 VanDerWaalsContact CG2-SG 3.57Å; D279-C283 PolarHBondContact O-SG 3.17Å; D279-C283 VanDerWaalsContact O-SG 3.34Å; L280-C283 HydrophobicContact CD1-CB 4.33Å; L280-C283 WeakPolarHBondContact O-CB 3.17Å; L280-C283 PolarHBondContact O-N 3.25Å; K281-C283 VanDerWaalsContact C-N 3.33Å; C283-F285 HydrophobicContact CB-CD2 4.38Å; C283-F285 HydrophobicContact CB-CE2 3.51Å; C283-F285 HydrophobicContact CB-CZ 3.63Å
284	N	98.1	Very high	97.3	Very high	71 Å²	71	57.9 Å²	57.9	38%	0.38	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	117	175.6	-177.2	4.3	0	0	0	110.8	F223 Y224 S286	F223-N284 WeakPolarHBondContact CD2-O 3.19Å; Y224-N284 PolarHBondContact N-O 3.3Å; Y224-N284 PolarHBondContact O-N 2.91Å; N284-S286 VanDerWaalsContact OD1-CB 3.22Å; N284-S286 WeakPolarHBondContact OD1-CB 3.26Å; N284-S286 PolarHBondContact OD1-N 2.89Å; N284-S286 PolarHBondContact OD1-OG 2.76Å
285	F	98.1	Very high	97.2	Very high	6 Å²	6	58 Å²	58	3%	0.026	31%	0.306	C	S	.	.			trans	-104.8	12.8	-178.6	-54.5	-84.9	0	0	0	113	F223 A240 F243 A244 L247 F261 W265 L280 C283 M288 S289	F223-F285 HydrophobicContact CD2-CD1 4.11Å; F223-F285 HydrophobicContact CD2-CE1 4.15Å; F223-F285 HydrophobicContact CE2-CD1 4.03Å; F223-F285 AromaticContact CE2-CE1 3.71Å; F223-F285 HydrophobicContact CE2-CE1 3.71Å; F223-F285 HydrophobicContact CE2-CZ 4.1Å; A240-F285 HydrophobicContact CB-CD1 4.49Å; A240-F285 HydrophobicContact CB-CE1 4.09Å; F243-F285 AromaticContact CD1-CD2 3.73Å; F243-F285 HydrophobicContact CD1-CD2 3.73Å; F243-F285 AromaticContact CD1-CE2 3.74Å; F243-F285 HydrophobicContact CD1-CE2 3.74Å; F243-F285 HydrophobicContact CD1-CG 4.2Å; F243-F285 HydrophobicContact CD1-CZ 4.22Å; F243-F285 HydrophobicContact CE1-CD2 4.02Å; F243-F285 AromaticContact CE1-CE2 3.97Å; F243-F285 HydrophobicContact CE1-CE2 3.97Å; A244-F285 HydrophobicContact CB-CB 3.99Å; L247-F285 HydrophobicContact CD2-CB 4.49Å; F261-F285 HydrophobicContact CE1-CZ 4.21Å; F261-F285 HydrophobicContact CZ-CZ 4.48Å; W265-F285 AromaticContact CH2-CE1 3.94Å; W265-F285 HydrophobicContact CH2-CE1 3.94Å; W265-F285 AromaticContact CH2-CZ 3.88Å; W265-F285 HydrophobicContact CH2-CZ 3.88Å; W265-F285 HydrophobicContact CZ2-CE1 4.37Å; W265-F285 HydrophobicContact CZ3-CE1 4.29Å; W265-F285 AromaticContact CZ3-CZ 3.81Å; W265-F285 HydrophobicContact CZ3-CZ 3.81Å; L280-F285 HydrophobicContact CD1-CE2 3.83Å; L280-F285 HydrophobicContact CD1-CZ 3.96Å; C283-F285 HydrophobicContact CB-CD2 4.38Å; C283-F285 HydrophobicContact CB-CE2 3.51Å; C283-F285 HydrophobicContact CB-CZ 3.63Å; F285-M288 HydrophobicContact CD1-SD 3.96Å; F285-M288 PolarHBondContact O-N 3.06Å; F285-S289 WeakPolarHBondContact O-CB 3.39Å; F285-S289 PolarHBondContact O-N 2.77Å
286	S	97.3	Very high	97.1	Very high	48 Å²	48	55.6 Å²	55.6	34%	0.336	29%	0.289	S	S	.	.	H	α-helix	trans	-67	-51	-167.6	-55.5	0	0	0	0	113.1	N284 M288 S289 E290	N284-S286 VanDerWaalsContact OD1-CB 3.22Å; N284-S286 WeakPolarHBondContact OD1-CB 3.26Å; N284-S286 PolarHBondContact OD1-N 2.89Å; N284-S286 PolarHBondContact OD1-OG 2.76Å; S286-M288 VanDerWaalsContact C-N 3.28Å; S286-M288 PolarHBondContact O-N 2.88Å; S286-S289 WeakPolarHBondContact O-CA 3.41Å; S286-S289 WeakPolarHBondContact O-CB 3.41Å; S286-S289 PolarHBondContact O-N 2.73Å; S286-E290 WeakPolarHBondContact O-CG 3.36Å; S286-E290 PolarHBondContact O-N 3.18Å
287	E	97.9	Very high	97.1	Very high	62 Å²	62	57.8 Å²	57.8	29%	0.29	30%	0.295	S	S	.	.	H	α-helix	trans	-57.1	-41.2	175.4	-77.7	-172.3	-156.9	0	0	111.9	V221 K222 Y224 S289 E290 Y291	V221-E287 HydrophobicContact CG1-CB 4.42Å; K222-E287 WeakPolarHBondContact CB-OE2 3.27Å; K222-E287 PolarHBondContact N-OE2 3.08Å; Y224-E287 HydrophobicContact CE2-CG 4.25Å; Y224-E287 WeakPolarHBondContact CE2-OE1 3.29Å; Y224-E287 VanDerWaalsContact CZ-OE1 3.27Å; Y224-E287 PolarHBondContact OH-OE1 2.94Å; E287-S289 VanDerWaalsContact C-N 3.33Å; E287-S289 PolarHBondContact O-N 2.78Å; E287-E290 PolarHBondContact O-N 2.89Å; E287-Y291 WeakPolarHBondContact O-CB 3.09Å; E287-Y291 PolarHBondContact O-N 3.36Å
288	M	98.2	Very high	96.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-61.9	-41.9	175.6	-55.6	171.5	81.5	0	0	111.2	L217 V221 F223 A240 T241 A244 F285 S286 F292	L217-M288 HydrophobicContact CD1-CE 3.6Å; L217-M288 HydrophobicContact CD1-CG 3.91Å; L217-M288 HydrophobicContact CD1-SD 4.5Å; V221-M288 HydrophobicContact CG1-CG 4.45Å; F223-M288 HydrophobicContact CB-SD 4.1Å; F223-M288 HydrophobicContact CD2-SD 4.1Å; A240-M288 HydrophobicContact CB-CE 3.78Å; T241-M288 HydrophobicContact CG2-CE 4.2Å; A244-M288 HydrophobicContact CB-CB 3.56Å; A244-M288 HydrophobicContact CB-SD 4.39Å; F285-M288 HydrophobicContact CD1-SD 3.96Å; F285-M288 PolarHBondContact O-N 3.06Å; S286-M288 VanDerWaalsContact C-N 3.28Å; S286-M288 PolarHBondContact O-N 2.88Å; M288-F292 WeakPolarHBondContact O-CD2 3.45Å; M288-F292 PolarHBondContact O-N 2.86Å; M288-F292 VanDerWaalsContact O-N 3.11Å
289	S	97.9	Very high	96.7	Very high	4 Å²	4	60.7 Å²	60.7	3%	0.028	31%	0.306	C	S	.	.	H	α-helix	trans	-66.3	-43	177.5	-161.1	0	0	0	0	111.7	A244 F285 S286 E287 F292 K293	A244-S289 VanDerWaalsContact O-CB 3.29Å; A244-S289 WeakPolarHBondContact O-CB 3.39Å; A244-S289 PolarHBondContact O-OG 3.5Å; F285-S289 WeakPolarHBondContact O-CB 3.39Å; F285-S289 PolarHBondContact O-N 2.77Å; S286-S289 WeakPolarHBondContact O-CA 3.41Å; S286-S289 WeakPolarHBondContact O-CB 3.41Å; S286-S289 PolarHBondContact O-N 2.73Å; E287-S289 VanDerWaalsContact C-N 3.33Å; E287-S289 PolarHBondContact O-N 2.78Å; S289-F292 PolarHBondContact O-N 3.35Å; S289-K293 WeakPolarHBondContact O-CB 3.21Å; S289-K293 WeakPolarHBondContact O-CD 3.42Å; S289-K293 VanDerWaalsContact O-CG 3.27Å; S289-K293 WeakPolarHBondContact O-CG 3.46Å; S289-K293 PolarHBondContact O-N 2.98Å; S289-K293 PolarHBondContact OG-NZ 2.92Å
290	E	97.9	Very high	96.6	Very high	125 Å²	125	62 Å²	62	58%	0.584	31%	0.309	S	S	*	.	H	α-helix	trans	-64.4	-41.7	176.3	-73.2	173.2	-167	0	0	112	S286 E287 F292 K293 A294	S286-E290 WeakPolarHBondContact O-CG 3.36Å; S286-E290 PolarHBondContact O-N 3.18Å; E287-E290 PolarHBondContact O-N 2.89Å; E290-F292 PolarHBondContact O-N 2.96Å; E290-K293 PolarHBondContact O-N 2.85Å; E290-A294 WeakPolarHBondContact O-CB 3.32Å; E290-A294 PolarHBondContact O-N 3.26Å
291	Y	98	Very high	96.5	Very high	58 Å²	58	65.3 Å²	65.3	23%	0.227	34%	0.338	C	S	.	.	H	α-helix	trans	-56.7	-47.9	171.1	171.9	-108	0	0	0	111.9	L217 P218 V221 E287 K293 A294 Q295	L217-Y291 HydrophobicContact CD2-CD1 3.59Å; L217-Y291 HydrophobicContact CD2-CE1 3.56Å; P218-Y291 HydrophobicContact CG-CE2 3.97Å; V221-Y291 HydrophobicContact CG1-CG 4.23Å; V221-Y291 HydrophobicContact CG2-CD2 3.7Å; V221-Y291 HydrophobicContact CG2-CE2 4.35Å; V221-Y291 HydrophobicContact CG2-CG 3.85Å; E287-Y291 WeakPolarHBondContact O-CB 3.09Å; E287-Y291 PolarHBondContact O-N 3.36Å; Y291-K293 PolarHBondContact O-N 3.28Å; Y291-A294 PolarHBondContact O-N 3.07Å; Y291-Q295 HydrophobicContact CD1-CG 4.46Å; Y291-Q295 HydrophobicContact CD2-CG 4.22Å; Y291-Q295 HydrophobicContact CE1-CG 4.08Å; Y291-Q295 HydrophobicContact CE2-CG 3.79Å; Y291-Q295 WeakPolarHBondContact O-CB 3.38Å; Y291-Q295 VanDerWaalsContact O-CG 3.31Å; Y291-Q295 WeakPolarHBondContact O-CG 3.27Å; Y291-Q295 PolarHBondContact O-N 2.63Å; Y291-Q295 PolarHBondContact OH-NE2 2.9Å
292	F	97.3	Very high	96.4	Very high	40 Å²	40	59.6 Å²	59.6	18%	0.175	32%	0.315	C	S	.	.	H	α-helix	trans	-70.2	-29.7	178.6	-70.2	-58.9	0	0	0	113.5	L217 T241 K245 M288 S289 E290 S296	L217-F292 HydrophobicContact CD2-CE2 4.11Å; L217-F292 HydrophobicContact CD2-CZ 3.74Å; T241-F292 HydrophobicContact CG2-CE2 3.89Å; T241-F292 HydrophobicContact CG2-CZ 3.86Å; K245-F292 HydrophobicContact CD-CD1 4.5Å; K245-F292 HydrophobicContact CD-CD2 4.25Å; K245-F292 HydrophobicContact CD-CE2 4.45Å; K245-F292 HydrophobicContact CD-CG 4.32Å; K245-F292 VanDerWaalsContact CE-CD1 3.46Å; K245-F292 HydrophobicContact CG-CB 3.99Å; K245-F292 HydrophobicContact CG-CD1 4.29Å; K245-F292 HydrophobicContact CG-CD2 3.56Å; K245-F292 HydrophobicContact CG-CE2 4.19Å; K245-F292 HydrophobicContact CG-CG 3.67Å; M288-F292 WeakPolarHBondContact O-CD2 3.45Å; M288-F292 PolarHBondContact O-N 2.86Å; M288-F292 VanDerWaalsContact O-N 3.11Å; S289-F292 PolarHBondContact O-N 3.35Å; E290-F292 PolarHBondContact O-N 2.96Å; F292-S296 PolarHBondContact O-N 2.8Å
293	K	96.6	Very high	96.3	Very high	88 Å²	88	58.7 Å²	58.7	38%	0.383	32%	0.316	S	S	.	.	H	α-helix	trans	-64.9	-49	169.7	-73.4	160.4	176.5	164.6	0	110.8	D248 S289 E290 Y291 Q295 S296 E297	D248-K293 VanDerWaalsContact CG-NZ 3.33Å; D248-K293 IonicContact OD1-NZ 3.76Å; D248-K293 PolarHBondContact OD1-NZ 3.07Å; D248-K293 IonicContact OD2-NZ 2.73Å; D248-K293 PolarHBondContact OD2-NZ 3.05Å; S289-K293 WeakPolarHBondContact O-CB 3.21Å; S289-K293 WeakPolarHBondContact O-CD 3.42Å; S289-K293 VanDerWaalsContact O-CG 3.27Å; S289-K293 WeakPolarHBondContact O-CG 3.46Å; S289-K293 PolarHBondContact O-N 2.98Å; S289-K293 PolarHBondContact OG-NZ 2.92Å; E290-K293 PolarHBondContact O-N 2.85Å; Y291-K293 PolarHBondContact O-N 3.28Å; K293-Q295 PolarHBondContact O-N 2.79Å; K293-S296 WeakPolarHBondContact O-CB 3.43Å; K293-S296 PolarHBondContact O-N 2.89Å; K293-S296 VanDerWaalsContact O-N 3.08Å; K293-E297 PolarHBondContact O-N 3.44Å
294	A	96.8	Very high	96.2	Very high	62 Å²	62	66.3 Å²	66.3	51%	0.512	35%	0.348	S	S	.	.	H	α-helix	trans	-61.1	-42.2	176.1	0	0	0	0	0	112.3	E290 Y291 S296 E297 A298	E290-A294 WeakPolarHBondContact O-CB 3.32Å; E290-A294 PolarHBondContact O-N 3.26Å; Y291-A294 PolarHBondContact O-N 3.07Å; A294-S296 VanDerWaalsContact C-N 3.3Å; A294-S296 PolarHBondContact O-N 2.82Å; A294-E297 PolarHBondContact O-N 2.99Å; A294-A298 WeakPolarHBondContact O-CB 3.16Å; A294-A298 PolarHBondContact O-N 3.42Å
295	Q	95.1	Very high	96	Very high	72 Å²	72	69.1 Å²	69.1	34%	0.336	36%	0.359	S	S	.	.	H	α-helix	trans	-61.2	-35.5	172.6	-77.2	-71.6	-1.1	0	0	112.6	Y291 K293 R299	Y291-Q295 HydrophobicContact CD1-CG 4.46Å; Y291-Q295 HydrophobicContact CD2-CG 4.22Å; Y291-Q295 HydrophobicContact CE1-CG 4.08Å; Y291-Q295 HydrophobicContact CE2-CG 3.79Å; Y291-Q295 WeakPolarHBondContact O-CB 3.38Å; Y291-Q295 VanDerWaalsContact O-CG 3.31Å; Y291-Q295 WeakPolarHBondContact O-CG 3.27Å; Y291-Q295 PolarHBondContact O-N 2.63Å; Y291-Q295 PolarHBondContact OH-NE2 2.9Å; K293-Q295 PolarHBondContact O-N 2.79Å; Q295-R299 WeakPolarHBondContact O-CG 3.29Å; Q295-R299 PolarHBondContact O-N 2.91Å; Q295-R299 PolarHBondContact O-NH1 3.17Å
296	S	94.6	Very high	95.8	Very high	36 Å²	36	73.4 Å²	73.4	25%	0.252	38%	0.379	S	S	.	.	H	α-helix	trans	-67.8	-46.4	175.7	-165.2	0	0	0	0	111.7	F292 K293 A294 A298 R299 K300	F292-S296 PolarHBondContact O-N 2.8Å; K293-S296 WeakPolarHBondContact O-CB 3.43Å; K293-S296 PolarHBondContact O-N 2.89Å; K293-S296 VanDerWaalsContact O-N 3.08Å; A294-S296 VanDerWaalsContact C-N 3.3Å; A294-S296 PolarHBondContact O-N 2.82Å; S296-A298 VanDerWaalsContact C-N 3.34Å; S296-A298 PolarHBondContact O-N 3.28Å; S296-R299 WeakPolarHBondContact O-CB 3.3Å; S296-R299 PolarHBondContact O-N 2.9Å; S296-K300 WeakPolarHBondContact O-CG 3.3Å; S296-K300 PolarHBondContact O-N 2.95Å
297	E	95.4	Very high	95.7	Very high	106 Å²	106	75.2 Å²	75.2	50%	0.495	38%	0.381	S	S	.	.	H	α-helix	trans	-66	-35.3	175.4	-64.3	-54.5	130	0	0	112.2	K293 A294 K300 A301	K293-E297 PolarHBondContact O-N 3.44Å; A294-E297 PolarHBondContact O-N 2.99Å; E297-K300 CarbonylContact O-C 3.59Å; E297-K300 WeakPolarHBondContact O-CB 3.18Å; E297-K300 PolarHBondContact O-N 2.73Å; E297-K300 WeakPolarHBondContact OE1-CE 3.27Å; E297-K300 IonicContact OE1-NZ 2.63Å; E297-K300 PolarHBondContact OE1-NZ 3.48Å; E297-K300 WeakPolarHBondContact OE2-CD 3.13Å; E297-K300 IonicContact OE2-NZ 3.02Å; E297-A301 VanDerWaalsContact O-CB 3.29Å; E297-A301 WeakPolarHBondContact O-CB 2.81Å; E297-A301 PolarHBondContact O-N 3.09Å
298	A	94.9	Very high	95.5	Very high	51 Å²	51	76.1 Å²	76.1	42%	0.421	39%	0.385	S	S	.	.	H	α-helix	trans	-61.7	-43.3	170.2	0	0	0	0	0	111.9	A294 S296 K300 A301 M302	A294-A298 WeakPolarHBondContact O-CB 3.16Å; A294-A298 PolarHBondContact O-N 3.42Å; S296-A298 VanDerWaalsContact C-N 3.34Å; S296-A298 PolarHBondContact O-N 3.28Å; A298-K300 VanDerWaalsContact C-N 3.33Å; A298-K300 PolarHBondContact O-N 3.1Å; A298-A301 CarbonylContact O-C 3.59Å; A298-A301 PolarHBondContact O-N 3.32Å; A298-A301 VanDerWaalsContact O-N 3.11Å; A298-M302 WeakPolarHBondContact O-CG 3.04Å; A298-M302 PolarHBondContact O-N 2.95Å
299	R	92.6	Very high	95.4	Very high	100 Å²	100	83.3 Å²	83.3	38%	0.377	42%	0.416	S	S	.	.	H	α-helix	trans	-60	-40.8	172.5	-74.1	-165.3	-56.2	-77.4	13.9	112	D131 Q295 S296 M302 K307	D131-R299 IonicContact OD2-CZ 2.71Å; D131-R299 IonicContact OD2-NH2 2.95Å; D131-R299 PolarHBondContact OD2-NH2 3.2Å; Q295-R299 WeakPolarHBondContact O-CG 3.29Å; Q295-R299 PolarHBondContact O-N 2.91Å; Q295-R299 PolarHBondContact O-NH1 3.17Å; S296-R299 WeakPolarHBondContact O-CB 3.3Å; S296-R299 PolarHBondContact O-N 2.9Å; R299-M302 HydrophobicContact CB-CE 4.2Å; R299-M302 HydrophobicContact CG-CE 4.35Å; R299-M302 WeakPolarHBondContact O-CE 3.28Å; R299-K307 WeakPolarHBondContact O-CE 3.46Å
300	K	93.2	Very high	95.2	Very high	90 Å²	90	86.6 Å²	86.6	39%	0.391	43%	0.433	S	S	.	.	H	α-helix	trans	-64.5	-37.6	172.9	-67.8	179.2	-170.4	172.6	0	111.9	E127 S296 E297 A298 K307	E127-K300 IonicContact OE2-NZ 3.25Å; E127-K300 PolarHBondContact OE2-NZ 3.23Å; S296-K300 WeakPolarHBondContact O-CG 3.3Å; S296-K300 PolarHBondContact O-N 2.95Å; E297-K300 CarbonylContact O-C 3.59Å; E297-K300 WeakPolarHBondContact O-CB 3.18Å; E297-K300 PolarHBondContact O-N 2.73Å; E297-K300 WeakPolarHBondContact OE1-CE 3.27Å; E297-K300 IonicContact OE1-NZ 2.63Å; E297-K300 PolarHBondContact OE1-NZ 3.48Å; E297-K300 WeakPolarHBondContact OE2-CD 3.13Å; E297-K300 IonicContact OE2-NZ 3.02Å; A298-K300 VanDerWaalsContact C-N 3.33Å; A298-K300 PolarHBondContact O-N 3.1Å; K300-K307 PolarHBondContact O-NZ 3.49Å
301	A	94	Very high	95.1	Very high	82 Å²	82	84.9 Å²	84.9	68%	0.678	42%	0.423	S	S	*	.	H	α-helix	trans	-79	-19	-178	0	0	0	0	0	115.2	E297 A298	E297-A301 VanDerWaalsContact O-CB 3.29Å; E297-A301 WeakPolarHBondContact O-CB 2.81Å; E297-A301 PolarHBondContact O-N 3.09Å; A298-A301 CarbonylContact O-C 3.59Å; A298-A301 PolarHBondContact O-N 3.32Å; A298-A301 VanDerWaalsContact O-N 3.11Å
302	M	94.1	Very high	95	Very high	52 Å²	52	87 Å²	87	26%	0.256	44%	0.435	S	S	.	.			trans	-44.1	144.8	-179.5	-75.9	-169	-65	0	0	113.8	A298 R299 Q306 K307 I310	A298-M302 WeakPolarHBondContact O-CG 3.04Å; A298-M302 PolarHBondContact O-N 2.95Å; R299-M302 HydrophobicContact CB-CE 4.2Å; R299-M302 HydrophobicContact CG-CE 4.35Å; R299-M302 WeakPolarHBondContact O-CE 3.28Å; M302-Q306 VanDerWaalsContact CA-OE1 3.29Å; M302-Q306 HydrophobicContact CB-CB 4.23Å; M302-Q306 HydrophobicContact SD-CB 4.43Å; M302-K307 HydrophobicContact CB-CD 4.35Å; M302-K307 HydrophobicContact CB-CG 4.05Å; M302-K307 HydrophobicContact CE-CG 4.24Å; M302-K307 WeakPolarHBondContact O-CD 3.43Å; M302-K307 WeakPolarHBondContact O-CE 3.39Å; M302-K307 PolarHBondContact O-NZ 3.28Å; M302-I310 HydrophobicContact CE-CD1 3.72Å; M302-I310 HydrophobicContact SD-CD1 3.66Å
303	T	96	Very high	94.9	Very high	64 Å²	64	90.2 Å²	90.2	39%	0.393	45%	0.451	S	S	.	.			trans	-66.9	168.6	-178.5	87.2	0	0	0	0	112.2	E305 Q306 K307	T303-E305 WeakPolarHBondContact CB-OE2 3.31Å; T303-E305 PolarHBondContact O-N 3.28Å; T303-E305 PolarHBondContact OG1-N 2.85Å; T303-E305 PolarHBondContact OG1-OE2 2.87Å; T303-Q306 PolarHBondContact OG1-N 2.7Å; T303-K307 WeakPolarHBondContact O-CB 3.14Å; T303-K307 WeakPolarHBondContact O-CG 2.96Å; T303-K307 PolarHBondContact O-N 3.19Å
304	K	95.5	Very high	94.8	Very high	175 Å²	175	89.3 Å²	89.3	76%	0.761	45%	0.45	S	S	*	.	H	α-helix	trans	-65.4	-34.1	178.6	-65	171.9	-173.7	162.5	0	111.1	Q308	K304-Q308 WeakPolarHBondContact O-CB 3.32Å; K304-Q308 PolarHBondContact O-N 3.35Å
305	E	95.4	Very high	94.7	Very high	131 Å²	131	90.4 Å²	90.4	61%	0.612	45%	0.445	S	S	*	.	H	α-helix	trans	-71	-46.4	-177.6	-55.4	65.2	-137.1	0	0	109.9	T303 Q308 K309	T303-E305 WeakPolarHBondContact CB-OE2 3.31Å; T303-E305 PolarHBondContact O-N 3.28Å; T303-E305 PolarHBondContact OG1-N 2.85Å; T303-E305 PolarHBondContact OG1-OE2 2.87Å; E305-Q308 PolarHBondContact O-N 2.84Å; E305-K309 PolarHBondContact O-N 2.83Å
306	Q	94.1	Very high	94.8	Very high	96 Å²	96	94.4 Å²	94.4	45%	0.449	46%	0.457	S	S	.	.	H	α-helix	trans	-58.8	-49.6	171.9	-69.5	173.2	-26.2	0	0	111.5	M302 T303 Q308 K309 I310	M302-Q306 VanDerWaalsContact CA-OE1 3.29Å; M302-Q306 HydrophobicContact CB-CB 4.23Å; M302-Q306 HydrophobicContact SD-CB 4.43Å; T303-Q306 PolarHBondContact OG1-N 2.7Å; Q306-Q308 VanDerWaalsContact C-N 3.31Å; Q306-Q308 PolarHBondContact O-N 2.69Å; Q306-K309 PolarHBondContact O-N 3.24Å; Q306-I310 WeakPolarHBondContact O-CG1 3.38Å; Q306-I310 PolarHBondContact O-N 3.19Å; Q306-I310 VanDerWaalsContact O-N 3.08Å
307	K	93.9	Very high	94.8	Very high	86 Å²	86	94.7 Å²	94.7	37%	0.374	46%	0.455	S	S	.	.	H	α-helix	trans	-62.9	-35.2	177.6	-76.4	166.4	171.5	145.8	0	112.7	R299 K300 M302 T303 K311	R299-K307 WeakPolarHBondContact O-CE 3.46Å; K300-K307 PolarHBondContact O-NZ 3.49Å; M302-K307 HydrophobicContact CB-CD 4.35Å; M302-K307 HydrophobicContact CB-CG 4.05Å; M302-K307 HydrophobicContact CE-CG 4.24Å; M302-K307 WeakPolarHBondContact O-CD 3.43Å; M302-K307 WeakPolarHBondContact O-CE 3.39Å; M302-K307 PolarHBondContact O-NZ 3.28Å; T303-K307 WeakPolarHBondContact O-CB 3.14Å; T303-K307 WeakPolarHBondContact O-CG 2.96Å; T303-K307 PolarHBondContact O-N 3.19Å; K307-K311 VanDerWaalsContact O-CB 3.3Å; K307-K311 WeakPolarHBondContact O-CB 2.93Å; K307-K311 PolarHBondContact O-N 3Å
308	Q	94.8	Very high	94.9	Very high	80 Å²	80	91.9 Å²	91.9	37%	0.374	44%	0.443	S	S	.	.	H	α-helix	trans	-70.1	-43	176.3	179.5	61.6	19.3	0	0	111.5	K304 E305 Q306 I310 K311 E312	K304-Q308 WeakPolarHBondContact O-CB 3.32Å; K304-Q308 PolarHBondContact O-N 3.35Å; E305-Q308 PolarHBondContact O-N 2.84Å; Q306-Q308 VanDerWaalsContact C-N 3.31Å; Q306-Q308 PolarHBondContact O-N 2.69Å; Q308-I310 PolarHBondContact O-N 3.24Å; Q308-K311 WeakPolarHBondContact O-CB 2.99Å; Q308-K311 PolarHBondContact O-N 3.16Å; Q308-K311 VanDerWaalsContact O-N 3.15Å; Q308-E312 WeakPolarHBondContact CG-OE1 3.39Å; Q308-E312 PolarHBondContact NE2-OE1 3.48Å; Q308-E312 WeakPolarHBondContact O-CG 3.15Å; Q308-E312 PolarHBondContact O-N 3.45Å
309	K	96.1	Very high	94.9	Very high	151 Å²	151	95 Å²	95	66%	0.657	45%	0.449	S	S	*	.	H	α-helix	trans	-59.3	-47.4	174.8	-176.3	179.3	176.6	-177.6	0	111.9	E305 Q306 K311 E312 E313	E305-K309 PolarHBondContact O-N 2.83Å; Q306-K309 PolarHBondContact O-N 3.24Å; K309-K311 VanDerWaalsContact C-N 3.26Å; K309-K311 PolarHBondContact O-N 2.93Å; K309-E312 PolarHBondContact O-N 3.42Å; K309-E313 PolarHBondContact O-N 2.78Å
310	I	93.6	Very high	95.1	Very high	74 Å²	74	94.6 Å²	94.6	38%	0.379	45%	0.452	S	S	.	.	H	α-helix	trans	-60.6	-38.1	176.1	-66.7	165.8	0	0	0	111	M302 Q306 Q308 N314	M302-I310 HydrophobicContact CE-CD1 3.72Å; M302-I310 HydrophobicContact SD-CD1 3.66Å; Q306-I310 WeakPolarHBondContact O-CG1 3.38Å; Q306-I310 PolarHBondContact O-N 3.19Å; Q306-I310 VanDerWaalsContact O-N 3.08Å; Q308-I310 PolarHBondContact O-N 3.24Å; I310-N314 WeakPolarHBondContact O-CB 3.25Å; I310-N314 PolarHBondContact O-N 2.86Å; I310-N314 VanDerWaalsContact O-N 3.11Å; I310-N314 PolarHBondContact O-ND2 3.12Å
311	K	95.1	Very high	95.3	Very high	88 Å²	88	93 Å²	93	38%	0.383	44%	0.444	S	S	.	.	H	α-helix	trans	-67	-44.3	176.5	177.6	-175.4	167.1	-68.8	0	112.1	K307 Q308 K309 N314 E315	K307-K311 VanDerWaalsContact O-CB 3.3Å; K307-K311 WeakPolarHBondContact O-CB 2.93Å; K307-K311 PolarHBondContact O-N 3Å; Q308-K311 WeakPolarHBondContact O-CB 2.99Å; Q308-K311 PolarHBondContact O-N 3.16Å; Q308-K311 VanDerWaalsContact O-N 3.15Å; K309-K311 VanDerWaalsContact C-N 3.26Å; K309-K311 PolarHBondContact O-N 2.93Å; K311-N314 PolarHBondContact O-N 3Å; K311-E315 VanDerWaalsContact CE-OE1 3.27Å; K311-E315 WeakPolarHBondContact CE-OE1 3.1Å; K311-E315 IonicContact NZ-OE1 3.68Å; K311-E315 PolarHBondContact NZ-OE1 2.84Å; K311-E315 IonicContact NZ-OE2 3.54Å; K311-E315 PolarHBondContact NZ-OE2 3.37Å; K311-E315 WeakPolarHBondContact O-CG 3.33Å; K311-E315 PolarHBondContact O-N 3.2Å
312	E	96.1	Very high	95.5	Very high	103 Å²	103	89.1 Å²	89.1	48%	0.481	41%	0.411	S	S	.	.	H	α-helix	trans	-63.6	-40.9	178.7	-74.6	167.6	178.7	0	0	111.8	Q308 K309 E315 R316	Q308-E312 WeakPolarHBondContact CG-OE1 3.39Å; Q308-E312 PolarHBondContact NE2-OE1 3.48Å; Q308-E312 WeakPolarHBondContact O-CG 3.15Å; Q308-E312 PolarHBondContact O-N 3.45Å; K309-E312 PolarHBondContact O-N 3.42Å; E312-E315 PolarHBondContact O-N 3.22Å; E312-R316 PolarHBondContact O-N 3.41Å
313	E	95	Very high	95.6	Very high	107 Å²	107	88.9 Å²	88.9	50%	0.5	41%	0.409	S	S	.	.	H	α-helix	trans	-62.7	-42.5	173.1	178.1	162.4	-140.1	0	0	112.3	K309 E315 R316 L317	K309-E313 PolarHBondContact O-N 2.78Å; E313-E315 VanDerWaalsContact C-N 3.31Å; E313-E315 PolarHBondContact O-N 2.93Å; E313-R316 PolarHBondContact O-N 3.49Å; E313-R316 IonicContact OE1-NH2 2.62Å; E313-L317 WeakPolarHBondContact O-CB 3.45Å; E313-L317 PolarHBondContact O-N 3.39Å
314	N	94.4	Very high	95.7	Very high	69 Å²	69	86.1 Å²	86.1	37%	0.369	39%	0.392	S	S	.	.	H	α-helix	trans	-67.4	-29.6	174.4	-84.6	-79.4	0	0	0	113.2	I310 K311 L318 R337	I310-N314 WeakPolarHBondContact O-CB 3.25Å; I310-N314 PolarHBondContact O-N 2.86Å; I310-N314 VanDerWaalsContact O-N 3.11Å; I310-N314 PolarHBondContact O-ND2 3.12Å; K311-N314 PolarHBondContact O-N 3Å; N314-L318 WeakPolarHBondContact O-CB 3.16Å; N314-L318 PolarHBondContact O-N 3.19Å; N314-L318 VanDerWaalsContact O-N 3.07Å; N314-R337 PolarHBondContact OD1-NH2 2.91Å
315	E	95.6	Very high	95.8	Very high	85 Å²	85	81 Å²	81	40%	0.397	37%	0.372	S	S	.	.	H	α-helix	trans	-74.6	-37.7	173.1	-77.5	173.2	159.2	0	0	111.6	K311 E312 E313 L318 Q319	K311-E315 VanDerWaalsContact CE-OE1 3.27Å; K311-E315 WeakPolarHBondContact CE-OE1 3.1Å; K311-E315 IonicContact NZ-OE1 3.68Å; K311-E315 PolarHBondContact NZ-OE1 2.84Å; K311-E315 IonicContact NZ-OE2 3.54Å; K311-E315 PolarHBondContact NZ-OE2 3.37Å; K311-E315 WeakPolarHBondContact O-CG 3.33Å; K311-E315 PolarHBondContact O-N 3.2Å; E312-E315 PolarHBondContact O-N 3.22Å; E313-E315 VanDerWaalsContact C-N 3.31Å; E313-E315 PolarHBondContact O-N 2.93Å; E315-L318 PolarHBondContact O-N 2.79Å; E315-Q319 WeakPolarHBondContact O-CG 3.24Å; E315-Q319 PolarHBondContact O-N 2.99Å
316	R	96.3	Very high	95.8	Very high	157 Å²	157	75 Å²	75	59%	0.592	34%	0.344	S	S	*	.	H	α-helix	trans	-58.7	-52.1	169.9	-176.1	-176.4	69.6	-177.7	-3.7	111	E312 E313 L318 Q319 E320	E312-R316 PolarHBondContact O-N 3.41Å; E313-R316 PolarHBondContact O-N 3.49Å; E313-R316 IonicContact OE1-NH2 2.62Å; R316-L318 VanDerWaalsContact C-N 3.25Å; R316-L318 PolarHBondContact O-N 2.93Å; R316-Q319 PolarHBondContact O-N 3.16Å; R316-E320 PolarHBondContact O-N 2.83Å
317	L	95.9	Very high	95.8	Very high	42 Å²	42	71.1 Å²	71.1	22%	0.22	33%	0.326	C	S	.	.	H	α-helix	trans	-60	-35.2	179	-168.4	78.6	0	0	0	112.2	V209 E313 Y321 F336	V209-L317 HydrophobicContact CG1-CD1 4.4Å; V209-L317 HydrophobicContact CG1-CD2 4.28Å; V209-L317 HydrophobicContact CG2-CD1 3.98Å; V209-L317 HydrophobicContact CG2-CG 4.29Å; E313-L317 WeakPolarHBondContact O-CB 3.45Å; E313-L317 PolarHBondContact O-N 3.39Å; L317-Y321 HydrophobicContact CD1-CD2 3.75Å; L317-Y321 HydrophobicContact CD1-CE2 4.03Å; L317-Y321 HydrophobicContact CG-CD2 4.31Å; L317-Y321 PolarHBondContact O-N 3.27Å; L317-F336 HydrophobicContact CD2-CE2 4.13Å; L317-F336 HydrophobicContact CG-CE2 4.11Å
318	L	95.9	Very high	95.5	Very high	46 Å²	46	73.9 Å²	73.9	24%	0.241	35%	0.345	C	S	.	.	H	α-helix	trans	-68.7	-35	173.9	179.4	69.8	0	0	0	112.6	N314 E315 R316 G322 F323 F336	N314-L318 WeakPolarHBondContact O-CB 3.16Å; N314-L318 PolarHBondContact O-N 3.19Å; N314-L318 VanDerWaalsContact O-N 3.07Å; E315-L318 PolarHBondContact O-N 2.79Å; R316-L318 VanDerWaalsContact C-N 3.25Å; R316-L318 PolarHBondContact O-N 2.93Å; L318-G322 WeakPolarHBondContact O-CA 3.29Å; L318-G322 PolarHBondContact O-N 3.41Å; L318-F323 WeakPolarHBondContact O-CD2 3.18Å; L318-F323 WeakPolarHBondContact O-CE2 3.28Å; L318-F336 HydrophobicContact CD1-CE1 3.66Å; L318-F336 HydrophobicContact CD1-CZ 4.22Å
319	Q	95.8	Very high	95.4	Very high	116 Å²	116	72.9 Å²	72.9	54%	0.542	34%	0.341	S	S	.	.	H	α-helix	trans	-72.2	-33.6	176.2	-70.3	-65.4	-7.9	0	0	112.6	E315 R316	E315-Q319 WeakPolarHBondContact O-CG 3.24Å; E315-Q319 PolarHBondContact O-N 2.99Å; R316-Q319 PolarHBondContact O-N 3.16Å
320	E	95.9	Very high	95.4	Very high	93 Å²	93	71.9 Å²	71.9	44%	0.435	34%	0.336	S	S	.	.	H	α-helix	trans	-81	-48.3	-178	-167.6	-177	155.6	0	0	112.9	K206 R316	K206-E320 WeakPolarHBondContact CG-O 3.35Å; R316-E320 PolarHBondContact O-N 2.83Å
321	Y	97.9	Very high	95.5	Very high	57 Å²	57	69.1 Å²	69.1	22%	0.224	32%	0.322	C	S	.	.	H	α-helix	trans	-110.8	-10.8	-175.1	-61.6	-89.1	0	0	0	114.4	K206 V209 L317 F323 F336	K206-Y321 HydrophobicContact CB-CD1 3.78Å; K206-Y321 HydrophobicContact CB-CE1 3.81Å; V209-Y321 HydrophobicContact CG2-CD1 3.72Å; V209-Y321 HydrophobicContact CG2-CD2 3.58Å; V209-Y321 HydrophobicContact CG2-CE1 4.36Å; V209-Y321 HydrophobicContact CG2-CE2 4.23Å; V209-Y321 HydrophobicContact CG2-CG 3.32Å; L317-Y321 HydrophobicContact CD1-CD2 3.75Å; L317-Y321 HydrophobicContact CD1-CE2 4.03Å; L317-Y321 HydrophobicContact CG-CD2 4.31Å; L317-Y321 PolarHBondContact O-N 3.27Å; Y321-F323 VanDerWaalsContact C-N 3.26Å; Y321-F323 PolarHBondContact O-N 2.85Å; Y321-F336 WeakPolarHBondContact O-CB 3.21Å; Y321-F336 WeakPolarHBondContact O-CG 3.3Å
322	G	97.5	Very high	95.6	Very high	0 Å²	0	69 Å²	69	0%	0	32%	0.319	C	S	.	.	S	Bend	trans	-81.1	1.6	-176.5	0	0	0	0	0	115.4	L318 I333	L318-G322 WeakPolarHBondContact O-CA 3.29Å; L318-G322 PolarHBondContact O-N 3.41Å; G322-I333 PolarHBondContact O-N 3.34Å
323	F	98	Very high	95.7	Very high	47 Å²	47	64.4 Å²	64.4	21%	0.206	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	157	-176.1	-61.6	-90	0	0	0	111.9	L318 Y321 K330 E331 R332	L318-F323 WeakPolarHBondContact O-CD2 3.18Å; L318-F323 WeakPolarHBondContact O-CE2 3.28Å; Y321-F323 VanDerWaalsContact C-N 3.26Å; Y321-F323 PolarHBondContact O-N 2.85Å; F323-K330 HydrophobicContact CB-CG 4.1Å; F323-K330 HydrophobicContact CD1-CD 4.4Å; F323-K330 HydrophobicContact CD1-CG 4.07Å; F323-K330 HydrophobicContact CG-CD 4.45Å; F323-K330 HydrophobicContact CG-CG 4.31Å; F323-E331 CarbonylContact C-O 3.57Å; F323-E331 VanDerWaalsContact CA-O 3.25Å; F323-E331 WeakPolarHBondContact CA-O 3.36Å; F323-R332 HydrophobicContact CD1-CB 4.1Å; F323-R332 HydrophobicContact CD1-CG 4.34Å; F323-R332 HydrophobicContact CE1-CB 4Å; F323-R332 HydrophobicContact CE1-CG 4.06Å
324	C	97.9	Very high	95.7	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.034	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	171.4	168.1	68.3	0	0	0	0	109.3	L203 E204 H205 K330 E331 I333 L396 L412	L203-C324 HydrophobicContact CD1-CB 4.33Å; E204-C324 CarbonylContact O-C 3.6Å; E204-C324 VanDerWaalsContact O-CA 3.25Å; E204-C324 WeakPolarHBondContact O-CA 3.42Å; E204-C324 WeakPolarHBondContact O-CB 3.3Å; H205-C324 HydrophobicContact CB-CB 3.92Å; C324-K330 CarbonylContact O-C 3.43Å; C324-K330 WeakPolarHBondContact O-CA 3.38Å; C324-E331 PolarHBondContact N-O 3.41Å; C324-E331 PolarHBondContact O-N 2.81Å; C324-I333 HydrophobicContact CB-CD1 4.2Å; C324-I333 HydrophobicContact CB-CG1 4.33Å; C324-L396 HydrophobicContact CB-CD2 3.92Å; C324-L412 WeakPolarHBondContact SG-CD2 3.5Å
325	I	97.6	Very high	95.6	Very high	68 Å²	68	61.6 Å²	61.6	35%	0.349	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	125.3	159.8	-56.2	173.4	0	0	0	106.3	F202 L203 E204 H329	F202-I325 HydrophobicContact CD1-CB 4.46Å; F202-I325 HydrophobicContact CD1-CG2 3.95Å; F202-I325 HydrophobicContact CE1-CB 4.15Å; F202-I325 HydrophobicContact CE1-CG2 3.94Å; L203-I325 CarbonylContact C-O 3.38Å; L203-I325 WeakPolarHBondContact CA-O 3.27Å; E204-I325 HydrophobicContact CB-CB 4.5Å; E204-I325 PolarHBondContact N-O 3.31Å; E204-I325 PolarHBondContact O-N 3.31Å; I325-H329 WeakPolarHBondContact CA-O 3.29Å
326	M	95.2	Very high	95.7	Very high	4 Å²	4	58 Å²	58	2%	0.02	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	123.6	173.2	179.7	173.5	-75.8	0	0	108.9	W200 F202 L203 N328 H329 L412 I418	W200-M326 HydrophobicContact CB-CE 4.21Å; W200-M326 HydrophobicContact CB-CG 3.88Å; W200-M326 HydrophobicContact CB-SD 4.15Å; W200-M326 HydrophobicContact CG-CE 4.07Å; F202-M326 VanDerWaalsContact O-CA 3.3Å; F202-M326 WeakPolarHBondContact O-CA 3.49Å; L203-M326 HydrophobicContact CD1-CB 4.43Å; L203-M326 HydrophobicContact CD1-CE 3.79Å; L203-M326 HydrophobicContact CD2-CE 4.26Å; M326-N328 VanDerWaalsContact C-N 3.31Å; M326-N328 PolarHBondContact O-N 3.06Å; M326-H329 PolarHBondContact N-O 3.49Å; M326-H329 PolarHBondContact O-N 3.21Å; M326-L412 HydrophobicContact CE-CD1 3.82Å; M326-L412 HydrophobicContact CE-CG 4.45Å; M326-L412 HydrophobicContact SD-CD1 3.71Å; M326-I418 HydrophobicContact CE-CD1 4.16Å; M326-I418 HydrophobicContact SD-CB 4.47Å; M326-I418 HydrophobicContact SD-CD1 3.95Å
327	D	92.9	Very high	95.8	Very high	15 Å²	15	55.7 Å²	55.7	8%	0.08	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.2	52.8	-176	-69.7	3.2	0	0	0	112.9	Y194 W200 K201 F202 H329 R417	Y194-D327 VanDerWaalsContact CE2-OD2 3.28Å; Y194-D327 WeakPolarHBondContact CE2-OD2 3.49Å; Y194-D327 PolarHBondContact OH-OD2 2.82Å; W200-D327 WeakPolarHBondContact CA-OD1 3.22Å; K201-D327 PolarHBondContact N-OD1 2.61Å; F202-D327 PolarHBondContact N-OD1 2.94Å; F202-D327 PolarHBondContact O-N 3.46Å; D327-H329 PolarHBondContact O-CD2 3.39Å; D327-H329 PolarHBondContact O-N 3.04Å; D327-H329 VanDerWaalsContact O-N 3.15Å; D327-R417 IonicContact OD2-CZ 3.88Å; D327-R417 IonicContact OD2-NH2 3.75Å; D327-R417 PolarHBondContact OD2-NH2 3.44Å
328	N	87.4	Confident	95.9	Very high	144 Å²	144	54 Å²	54	77%	0.77	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.8	-10.4	-176.6	-49.2	-28.2	0	0	0	116.7	M326	M326-N328 VanDerWaalsContact C-N 3.31Å; M326-N328 PolarHBondContact O-N 3.06Å
329	H	93.9	Very high	95.9	Very high	60 Å²	60	56.1 Å²	56.1	28%	0.278	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	135.8	179.7	-63	-81.4	0	0	0	112.7	W186 E191 I325 M326 D327 E331	W186-H329 AromaticContact CD1-CE1 3.45Å; W186-H329 VanDerWaalsContact CD1-CE1 3.45Å; W186-H329 AromaticContact CD1-ND1 3.74Å; W186-H329 AromaticContact CD1-NE2 3.96Å; W186-H329 HydrophobicContact CD2-CB 4.11Å; W186-H329 AromaticContact CD2-CD2 3.92Å; W186-H329 AromaticContact CD2-CE1 3.92Å; W186-H329 AromaticContact CD2-CG 3.57Å; W186-H329 AromaticContact CD2-ND1 3.57Å; W186-H329 AromaticContact CE2-CD2 3.39Å; W186-H329 AromaticContact CE2-CE1 3.64Å; W186-H329 AromaticContact CE2-CG 3.57Å; W186-H329 AromaticContact CE2-ND1 3.72Å; W186-H329 AromaticContact CE2-NE2 3.47Å; W186-H329 HydrophobicContact CE3-CB 3.73Å; W186-H329 AromaticContact CE3-CG 3.74Å; W186-H329 AromaticContact CG-CE1 3.81Å; W186-H329 AromaticContact CG-ND1 3.6Å; W186-H329 HydrophobicContact CH2-CB 4.02Å; W186-H329 AromaticContact CH2-CD2 3.66Å; W186-H329 AromaticContact CH2-CG 3.88Å; W186-H329 HydrophobicContact CZ2-CB 4.38Å; W186-H329 AromaticContact CZ2-CD2 3.26Å; W186-H329 WeakPolarHBondContact CZ2-CD2 3.42Å; W186-H329 AromaticContact CZ2-CG 3.75Å; W186-H329 AromaticContact CZ2-NE2 3.68Å; W186-H329 HydrophobicContact CZ3-CB 3.68Å; W186-H329 AromaticContact CZ3-CG 3.88Å; W186-H329 AromaticContact NE1-CD2 3.83Å; W186-H329 AromaticContact NE1-CE1 3.36Å; W186-H329 PolarHBondContact NE1-CE1 2.92Å; W186-H329 AromaticContact NE1-ND1 3.82Å; W186-H329 AromaticContact NE1-NE2 3.37Å; W186-H329 PolarHBondContact NE1-NE2 3.33Å; E191-H329 IonicContact OE1-NE2 3.18Å; I325-H329 WeakPolarHBondContact CA-O 3.29Å; M326-H329 PolarHBondContact N-O 3.49Å; M326-H329 PolarHBondContact O-N 3.21Å; D327-H329 PolarHBondContact O-CD2 3.39Å; D327-H329 PolarHBondContact O-N 3.04Å; D327-H329 VanDerWaalsContact O-N 3.15Å; H329-E331 PolarHBondContact O-N 3.27Å
330	K	95.7	Very high	95.9	Very high	130 Å²	130	52.7 Å²	52.7	57%	0.565	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.8	100.7	173.7	-175.7	179.7	175.4	-178.8	0	109.9	F323 C324	F323-K330 HydrophobicContact CB-CG 4.1Å; F323-K330 HydrophobicContact CD1-CD 4.4Å; F323-K330 HydrophobicContact CD1-CG 4.07Å; F323-K330 HydrophobicContact CG-CD 4.45Å; F323-K330 HydrophobicContact CG-CG 4.31Å; C324-K330 CarbonylContact O-C 3.43Å; C324-K330 WeakPolarHBondContact O-CA 3.38Å
331	E	95.6	Very high	96	Very high	15 Å²	15	49 Å²	49	7%	0.07	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	144.7	-173.3	-90.5	-78.6	-148.7	0	0	112.9	W186 F323 C324 H329 L412 S416 R417	W186-E331 HydrophobicContact CZ3-CG 3.96Å; W186-E331 VanDerWaalsContact CZ3-OE1 3.32Å; W186-E331 WeakPolarHBondContact CZ3-OE1 3.39Å; F323-E331 CarbonylContact C-O 3.57Å; F323-E331 VanDerWaalsContact CA-O 3.25Å; F323-E331 WeakPolarHBondContact CA-O 3.36Å; C324-E331 PolarHBondContact N-O 3.41Å; C324-E331 PolarHBondContact O-N 2.81Å; H329-E331 PolarHBondContact O-N 3.27Å; E331-L412 HydrophobicContact CB-CD1 3.92Å; E331-L412 HydrophobicContact CG-CD1 4.28Å; E331-S416 WeakPolarHBondContact OE1-CA 3.45Å; E331-S416 WeakPolarHBondContact OE1-CB 3.47Å; E331-S416 WeakPolarHBondContact OE2-CA 3.43Å; E331-S416 WeakPolarHBondContact OE2-CB 3.32Å; E331-R417 PolarHBondContact OE1-N 3.2Å
332	R	96.8	Very high	96	Very high	86 Å²	86	46.6 Å²	46.6	33%	0.325	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	136.2	-175.8	-167.5	177.9	-178.6	-173.5	2.5	111.1	F323 N413	F323-R332 HydrophobicContact CD1-CB 4.1Å; F323-R332 HydrophobicContact CD1-CG 4.34Å; F323-R332 HydrophobicContact CE1-CB 4Å; F323-R332 HydrophobicContact CE1-CG 4.06Å; R332-N413 HydrophobicContact CB-CB 3.94Å; R332-N413 HydrophobicContact CG-CB 4.21Å; R332-N413 WeakPolarHBondContact O-CB 3.06Å; R332-N413 PolarHBondContact O-N 3.24Å
333	I	98.1	Very high	96.1	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.031	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-85.2	142.7	174.4	-60.7	176.9	0	0	0	109.7	H205 G322 C324 F336 L396 I410 L412	H205-I333 HydrophobicContact CB-CD1 4.43Å; G322-I333 PolarHBondContact O-N 3.34Å; C324-I333 HydrophobicContact CB-CD1 4.2Å; C324-I333 HydrophobicContact CB-CG1 4.33Å; I333-F336 HydrophobicContact CB-CB 4.36Å; I333-F336 HydrophobicContact CG2-CB 3.86Å; I333-L396 HydrophobicContact CD1-CD2 3.61Å; I333-L396 HydrophobicContact CG1-CD2 3.85Å; I333-I410 HydrophobicContact CG2-CG2 3.34Å; I333-L412 HydrophobicContact CG1-CD2 4.2Å
334	A	95.1	Very high	96.1	Very high	51 Å²	51	46.6 Å²	46.6	42%	0.421	23%	0.232	S	C	.	.	S	Bend	trans	-75.1	-52.3	180	0	0	0	0	0	112.4	M411	A334-M411 VanDerWaalsContact CB-O 3.29Å; A334-M411 WeakPolarHBondContact CB-O 2.9Å; A334-M411 PolarHBondContact N-O 3.24Å
335	N	93.4	Very high	96	Very high	66 Å²	66	52.1 Å²	52.1	35%	0.353	25%	0.252	S	S	.	.			trans	-137.5	63.7	-168	61	-52.5	0	0	0	111.5	R337 Y409 I410 M411	N335-R337 VanDerWaalsContact C-N 3.25Å; N335-R337 PolarHBondContact O-N 3.44Å; N335-Y409 PolarHBondContact ND2-O 2.93Å; N335-I410 WeakPolarHBondContact O-CD1 3.34Å; N335-I410 WeakPolarHBondContact O-CG1 3.48Å; N335-M411 PolarHBondContact OD1-N 2.76Å
336	F	97.4	Very high	95.8	Very high	10 Å²	10	49 Å²	49	4%	0.044	24%	0.238	C	C	.	.			trans	-69.4	-17.3	-177.5	68.6	-90.9	0	0	0	114.6	P208 V209 L317 L318 Y321 I333	P208-F336 WeakPolarHBondContact CA-O 3.27Å; V209-F336 HydrophobicContact CB-CD2 4.25Å; V209-F336 HydrophobicContact CG2-CD2 3.79Å; V209-F336 HydrophobicContact CG2-CE2 4.04Å; V209-F336 PolarHBondContact N-O 3.17Å; L317-F336 HydrophobicContact CD2-CE2 4.13Å; L317-F336 HydrophobicContact CG-CE2 4.11Å; L318-F336 HydrophobicContact CD1-CE1 3.66Å; L318-F336 HydrophobicContact CD1-CZ 4.22Å; Y321-F336 WeakPolarHBondContact O-CB 3.21Å; Y321-F336 WeakPolarHBondContact O-CG 3.3Å; I333-F336 HydrophobicContact CB-CB 4.36Å; I333-F336 HydrophobicContact CG2-CB 3.86Å
337	R	97.9	Very high	95.7	Very high	109 Å²	109	56 Å²	56	41%	0.411	26%	0.264	S	S	.	.	B	Isolated β-bridge	trans	-89	133	172	-60.7	-174.6	-176.6	86.1	-10.6	109.8	V209 N314 N335	V209-R337 HydrophobicContact CB-CG 4.19Å; V209-R337 HydrophobicContact CG1-CG 4.35Å; V209-R337 WeakPolarHBondContact O-CA 3.35Å; N314-R337 PolarHBondContact OD1-NH2 2.91Å; N335-R337 VanDerWaalsContact C-N 3.25Å; N335-R337 PolarHBondContact O-N 3.44Å
338	I	97.6	Very high	95.7	Very high	7 Å²	7	56.4 Å²	56.4	4%	0.036	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-68.9	146	172.5	-66.5	163.2	0	0	0	109.9	P208 V209 F210 P340 I360 I365 W399	P208-I338 HydrophobicContact CB-CD1 3.6Å; P208-I338 HydrophobicContact CB-CG1 3.8Å; P208-I338 HydrophobicContact CG-CD1 4Å; V209-I338 PolarHBondContact O-N 3.28Å; F210-I338 HydrophobicContact CD1-CD1 3.6Å; F210-I338 HydrophobicContact CD2-CD1 4.48Å; F210-I338 HydrophobicContact CE1-CD1 3.45Å; F210-I338 VanDerWaalsContact CE1-CD1 3.45Å; F210-I338 HydrophobicContact CE2-CD1 4.37Å; F210-I338 HydrophobicContact CG-CD1 4.11Å; F210-I338 HydrophobicContact CZ-CD1 3.86Å; I338-P340 WeakPolarHBondContact O-CD 3.46Å; I338-I360 HydrophobicContact CG2-CB 3.96Å; I338-I360 HydrophobicContact CG2-CG1 4.03Å; I338-I360 HydrophobicContact CG2-CG2 4.4Å; I338-I365 HydrophobicContact CD1-CD1 3.88Å; I338-I365 HydrophobicContact CD1-CG1 4.37Å; I338-W399 HydrophobicContact CG1-CZ3 4.42Å; I338-W399 HydrophobicContact CG2-CH2 4.45Å; I338-W399 HydrophobicContact CG2-CZ2 4.23Å
339	E	95.4	Very high	95.9	Very high	89 Å²	89	54.6 Å²	54.6	42%	0.416	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-59.9	126.4	174	-70	-179.6	-136.8	0	0	111.2	K408	E339-K408 IonicContact OE1-NZ 2.9Å; E339-K408 PolarHBondContact OE1-NZ 2.7Å; E339-K408 IonicContact OE2-NZ 3.24Å
340	P	97.1	Very high	96	Very high	44 Å²	44	52.5 Å²	52.5	29%	0.286	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-61.2	156.3	174	-25	35.2	0	0	0	113.6	A211 I338 K357	A211-P340 HydrophobicContact CB-CB 4.01Å; A211-P340 HydrophobicContact CB-CG 4.05Å; I338-P340 WeakPolarHBondContact O-CD 3.46Å; P340-K357 PolarHBondContact O-NZ 2.72Å
341	P	98.1	Very high	96.1	Very high	15 Å²	15	48.1 Å²	48.1	10%	0.097	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-58.5	160.9	167.3	28.6	-36.7	0	0	0	111.6	F242 K357 R359	F242-P341 HydrophobicContact CE2-CB 4.2Å; F242-P341 HydrophobicContact CZ-CB 3.78Å; F242-P341 HydrophobicContact CZ-CG 3.87Å; P341-K357 VanDerWaalsContact CA-O 3.29Å; P341-K357 WeakPolarHBondContact CA-O 3.49Å; P341-K357 WeakPolarHBondContact CB-O 3.38Å; P341-R359 HydrophobicContact CB-CB 4.06Å; P341-R359 HydrophobicContact CG-CB 4.06Å; P341-R359 HydrophobicContact CG-CG 4.39Å
342	G	98.3	Very high	96.2	Very high	8 Å²	8	49 Å²	49	8%	0.082	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.5	175.2	-179.1	0	0	0	0	0	112.6	K357	G342-K357 PolarHBondContact N-O 2.98Å; G342-K357 WeakPolarHBondContact O-CA 3.25Å; G342-K357 WeakPolarHBondContact O-CB 3.29Å; G342-K357 WeakPolarHBondContact O-CE 3.42Å; G342-K357 VanDerWaalsContact O-CG 3.3Å; G342-K357 WeakPolarHBondContact O-CG 3.39Å; G342-K357 PolarHBondContact O-N 3Å
343	L	98.4	Very high	96.2	Very high	11 Å²	11	44.9 Å²	44.9	6%	0.058	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	142.2	-177.6	-50.4	-176.1	0	0	0	112	F242 F243 F257 F261 R345 L356	F242-L343 HydrophobicContact CB-CD1 4.36Å; F242-L343 HydrophobicContact CB-CD2 4.21Å; F242-L343 HydrophobicContact CB-CG 3.82Å; F242-L343 HydrophobicContact CD2-CD2 4.43Å; F243-L343 HydrophobicContact CB-CD1 4.31Å; F243-L343 HydrophobicContact CD2-CD1 4.13Å; F257-L343 HydrophobicContact CE1-CD1 3.67Å; F257-L343 HydrophobicContact CE2-CB 4.33Å; F257-L343 HydrophobicContact CZ-CB 3.77Å; F257-L343 HydrophobicContact CZ-CD1 3.63Å; F257-L343 HydrophobicContact CZ-CG 4.35Å; F261-L343 HydrophobicContact CB-CD1 4.43Å; F261-L343 HydrophobicContact CD2-CD1 3.62Å; F261-L343 HydrophobicContact CD2-CD2 3.71Å; F261-L343 HydrophobicContact CD2-CG 4.32Å; F261-L343 HydrophobicContact CE2-CD1 4.24Å; F261-L343 HydrophobicContact CE2-CD2 4.28Å; F261-L343 HydrophobicContact CG-CD1 4.21Å; L343-R345 PolarHBondContact O-N 3.3Å; L343-L356 HydrophobicContact CD2-CD1 4.42Å
344	F	98.1	Very high	96.2	Very high	35 Å²	35	44.6 Å²	44.6	15%	0.154	22%	0.224	C	C	.	.			trans	-75.2	119	179.1	-178.1	-104.4	0	0	0	111.2	G346 H350 K352 M353 G354 M355 K357 I403	F344-G346 VanDerWaalsContact CE1-CA 3.46Å; F344-H350 AromaticContact CE1-CE1 3.79Å; F344-H350 AromaticContact CE1-ND1 3.74Å; F344-K352 HydrophobicContact CD1-CB 4.45Å; F344-K352 WeakPolarHBondContact CD1-O 3.47Å; F344-M353 CarbonylContact O-C 3.59Å; F344-M353 WeakPolarHBondContact O-CA 3.3Å; F344-G354 PolarHBondContact O-N 3.01Å; F344-M355 WeakPolarHBondContact CB-O 3.29Å; F344-M355 PolarHBondContact N-O 2.89Å; F344-K357 HydrophobicContact CB-CG 4.12Å; F344-K357 HydrophobicContact CD2-CD 4.32Å; F344-K357 HydrophobicContact CD2-CG 4.48Å; F344-I403 HydrophobicContact CB-CD1 4.13Å; F344-I403 HydrophobicContact CB-CG1 4.12Å; F344-I403 HydrophobicContact CB-CG2 4.43Å; F344-I403 HydrophobicContact CD1-CG2 3.92Å; F344-I403 HydrophobicContact CD2-CB 4.35Å; F344-I403 HydrophobicContact CD2-CG1 3.96Å; F344-I403 HydrophobicContact CD2-CG2 4.06Å; F344-I403 HydrophobicContact CE1-CG2 4.13Å; F344-I403 HydrophobicContact CE2-CG2 4.26Å; F344-I403 HydrophobicContact CG-CG1 4.12Å; F344-I403 HydrophobicContact CG-CG2 3.88Å; F344-I403 HydrophobicContact CZ-CG2 4.29Å
345	R	96.2	Very high	96.4	Very high	121 Å²	121	43.8 Å²	43.8	46%	0.457	21%	0.212	S	C	.	.			trans	-103.7	67.3	179.8	-69.2	165.2	71.8	-167.1	3.4	110	M246 H249 Y251 F257 L343	M246-R345 HydrophobicContact CE-CG 3.91Å; M246-R345 HydrophobicContact SD-CG 4.41Å; H249-R345 PolarHBondContact CD2-NH2 3.19Å; H249-R345 PolarHBondContact NE2-NH2 3.01Å; Y251-R345 HydrophobicContact CD2-CG 3.99Å; Y251-R345 HydrophobicContact CE1-CB 4.5Å; Y251-R345 HydrophobicContact CE2-CB 3.92Å; Y251-R345 HydrophobicContact CE2-CG 3.89Å; Y251-R345 HydrophobicContact CG-CG 4.49Å; F257-R345 HydrophobicContact CE2-CG 4.35Å; L343-R345 PolarHBondContact O-N 3.3Å
346	G	93.9	Very high	96.6	Very high	4 Å²	4	41.2 Å²	41.2	4%	0.041	20%	0.198	C	C	.	.			trans	-61.2	140.8	173.7	0	0	0	0	0	111.2	Y251 F344	Y251-G346 PolarHBondContact OH-O 2.92Å; F344-G346 VanDerWaalsContact CE1-CA 3.46Å
347	R	92.8	Very high	96.6	Very high	149 Å²	149	43.1 Å²	43.1	56%	0.562	21%	0.206	S	C	*	.	S	Bend	trans	-79.9	150.7	-176	-64.3	-179.7	175.9	-168	-11.1	111.6	A482 D516	R347-A482 WeakPolarHBondContact O-CB 3.35Å; R347-D516 WeakPolarHBondContact CD-OD1 3.43Å; R347-D516 IonicContact CZ-OD1 2.86Å; R347-D516 IonicContact NE-OD1 2.77Å; R347-D516 IonicContact NH1-OD1 3.3Å; R347-D516 PolarHBondContact NH1-OD1 3.48Å; R347-D516 IonicContact NH1-OD2 3.36Å
348	G	92.1	Very high	96.6	Very high	25 Å²	25	42.7 Å²	42.7	26%	0.258	21%	0.205	S	C	.	.	S	Bend	trans	62.6	-144.2	-171.3	0	0	0	0	0	111.1	H350 M353 S517	G348-H350 VanDerWaalsContact C-N 3.28Å; G348-H350 PolarHBondContact O-N 3.13Å; G348-M353 VanDerWaalsContact O-CE 3.25Å; G348-M353 WeakPolarHBondContact O-CE 3.45Å; G348-S517 WeakPolarHBondContact CA-OG 3.42Å
349	D	92.9	Very high	96.6	Very high	105 Å²	105	44.3 Å²	44.3	56%	0.561	21%	0.21	S	C	*	.	S	Bend	trans	-96.3	55	178.7	-63.6	-65.9	0	0	0	111.2	K254	K254-D349 IonicContact NZ-OD1 3.68Å; K254-D349 PolarHBondContact NZ-OD1 3.1Å; K254-D349 IonicContact NZ-OD2 3.3Å
350	H	95.9	Very high	96.8	Very high	17 Å²	17	40.8 Å²	40.8	8%	0.079	19%	0.194	C	C	.	.			trans	-63.7	120.8	-178.6	-159.5	-64.9	0	0	0	111.4	F344 G348 K352 M353 E480 A482	F344-H350 AromaticContact CE1-CE1 3.79Å; F344-H350 AromaticContact CE1-ND1 3.74Å; G348-H350 VanDerWaalsContact C-N 3.28Å; G348-H350 PolarHBondContact O-N 3.13Å; H350-K352 PolarHBondContact ND1-N 2.71Å; H350-K352 PolarHBondContact O-N 3.15Å; H350-K352 VanDerWaalsContact O-N 3.15Å; H350-M353 WeakPolarHBondContact O-CB 3.15Å; H350-M353 WeakPolarHBondContact O-CE 3.45Å; H350-M353 WeakPolarHBondContact O-CG 3.2Å; H350-M353 PolarHBondContact O-N 3.26Å; H350-E480 PolarHBondContact CE1-O 2.65Å; H350-E480 VanDerWaalsContact CE1-O 3.27Å; H350-A482 HydrophobicContact CB-CB 4.04Å
351	P	96.9	Very high	96.8	Very high	37 Å²	37	45.2 Å²	45.2	24%	0.24	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-30.4	-171.8	21.6	-32.7	0	0	0	113.3	I256 N260 G479 T481	I256-P351 WeakPolarHBondContact CG2-O 3.38Å; N260-P351 PolarHBondContact ND2-O 3.38Å; P351-G479 VanDerWaalsContact CB-O 3.23Å; P351-G479 WeakPolarHBondContact CB-O 3.37Å; P351-G479 VanDerWaalsContact CG-C 3.47Å; P351-G479 WeakPolarHBondContact CG-O 3.47Å; P351-T481 VanDerWaalsContact CD-C 3.46Å; P351-T481 VanDerWaalsContact CD-O 3.25Å; P351-T481 WeakPolarHBondContact CD-O 3.44Å; P351-T481 WeakPolarHBondContact CG-O 3.31Å
352	K	97.1	Very high	96.8	Very high	33 Å²	33	45 Å²	45	14%	0.143	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	5.6	173.5	-65.1	-169.3	158.9	174.2	0	116.6	F344 H350 M355 I403 E480	F344-K352 HydrophobicContact CD1-CB 4.45Å; F344-K352 WeakPolarHBondContact CD1-O 3.47Å; H350-K352 PolarHBondContact ND1-N 2.71Å; H350-K352 PolarHBondContact O-N 3.15Å; H350-K352 VanDerWaalsContact O-N 3.15Å; K352-M355 HydrophobicContact CB-CG 4.42Å; K352-M355 HydrophobicContact CB-SD 3.72Å; K352-M355 HydrophobicContact CD-SD 3.94Å; K352-M355 HydrophobicContact CG-SD 3.67Å; K352-M355 WeakPolarHBondContact O-CB 3.15Å; K352-M355 WeakPolarHBondContact O-CG 3.29Å; K352-M355 PolarHBondContact O-N 2.77Å; K352-I403 HydrophobicContact CB-CG2 3.93Å; K352-I403 HydrophobicContact CD-CG2 3.92Å; K352-I403 VanDerWaalsContact CD-O 3.32Å; K352-I403 WeakPolarHBondContact CD-O 3.25Å; K352-I403 PolarHBondContact NZ-O 3.05Å; K352-E480 VanDerWaalsContact CE-CD 3.47Å; K352-E480 WeakPolarHBondContact CE-OE1 3.32Å; K352-E480 VanDerWaalsContact CE-OE2 3.28Å; K352-E480 WeakPolarHBondContact CE-OE2 3.39Å; K352-E480 IonicContact NZ-OE1 3.7Å; K352-E480 PolarHBondContact NZ-OE1 2.81Å; K352-E480 IonicContact NZ-OE2 2.89Å; K352-E480 PolarHBondContact NZ-OE2 3.32Å
353	M	97.5	Very high	96.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	143.1	177.5	75	170.3	76.7	0	0	111.1	Y251 K254 I256 F257 N260 F344 G348 H350 M355	Y251-M353 HydrophobicContact CD1-SD 4Å; Y251-M353 HydrophobicContact CE1-SD 4.19Å; K254-M353 HydrophobicContact CB-SD 4.14Å; K254-M353 HydrophobicContact CD-CE 4.05Å; K254-M353 HydrophobicContact CD-SD 3.72Å; I256-M353 HydrophobicContact CB-CG 4.22Å; I256-M353 HydrophobicContact CG2-CG 3.81Å; F257-M353 WeakPolarHBondContact CA-O 3.45Å; F257-M353 HydrophobicContact CB-CG 3.89Å; F257-M353 HydrophobicContact CB-SD 3.93Å; F257-M353 HydrophobicContact CD2-CB 4.07Å; F257-M353 HydrophobicContact CD2-CG 4.08Å; F257-M353 HydrophobicContact CD2-SD 4.35Å; F257-M353 HydrophobicContact CG-CG 4.49Å; N260-M353 VanDerWaalsContact CB-O 3.26Å; N260-M353 WeakPolarHBondContact CB-O 3.48Å; N260-M353 PolarHBondContact ND2-O 2.76Å; F344-M353 CarbonylContact O-C 3.59Å; F344-M353 WeakPolarHBondContact O-CA 3.3Å; G348-M353 VanDerWaalsContact O-CE 3.25Å; G348-M353 WeakPolarHBondContact O-CE 3.45Å; H350-M353 WeakPolarHBondContact O-CB 3.15Å; H350-M353 WeakPolarHBondContact O-CE 3.45Å; H350-M353 WeakPolarHBondContact O-CG 3.2Å; H350-M353 PolarHBondContact O-N 3.26Å; M353-M355 VanDerWaalsContact C-N 3.29Å; M353-M355 PolarHBondContact O-N 3.45Å
354	G	97.9	Very high	96.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	-14.4	-178.6	0	0	0	0	0	115.4	F257 F261 F344	F257-G354 VanDerWaalsContact CE2-CA 3.43Å; F261-G354 WeakPolarHBondContact CA-O 3.49Å; F261-G354 PolarHBondContact N-O 3.36Å; F344-G354 PolarHBondContact O-N 3.01Å
355	M	98.5	Very high	96.8	Very high	34 Å²	34	48 Å²	48	17%	0.167	22%	0.216	C	C	.	.			trans	-61.1	150.7	173.4	-71.3	-172.9	67	0	0	112.2	N260 D264 F344 K352 M353 K357 I403	N260-M355 HydrophobicContact CB-CG 3.81Å; D264-M355 WeakPolarHBondContact OD2-CA 3.27Å; D264-M355 WeakPolarHBondContact OD2-CB 3.48Å; F344-M355 WeakPolarHBondContact CB-O 3.29Å; F344-M355 PolarHBondContact N-O 2.89Å; K352-M355 HydrophobicContact CB-CG 4.42Å; K352-M355 HydrophobicContact CB-SD 3.72Å; K352-M355 HydrophobicContact CD-SD 3.94Å; K352-M355 HydrophobicContact CG-SD 3.67Å; K352-M355 WeakPolarHBondContact O-CB 3.15Å; K352-M355 WeakPolarHBondContact O-CG 3.29Å; K352-M355 PolarHBondContact O-N 2.77Å; M353-M355 VanDerWaalsContact C-N 3.29Å; M353-M355 PolarHBondContact O-N 3.45Å; M355-K357 PolarHBondContact O-N 3.48Å; M355-I403 HydrophobicContact CB-CD1 3.84Å
356	L	98.6	Very high	96.9	Very high	13 Å²	13	43.1 Å²	43.1	7%	0.068	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	116	-176.7	178	59.2	0	0	0	111.6	V239 F242 D264 E268 L343 R358 N402 I403	V239-L356 HydrophobicContact CG1-CD1 4.4Å; V239-L356 HydrophobicContact CG1-CD2 4.41Å; V239-L356 HydrophobicContact CG2-CD1 3.99Å; V239-L356 HydrophobicContact CG2-CD2 3.65Å; V239-L356 HydrophobicContact CG2-CG 4.5Å; F242-L356 HydrophobicContact CD2-CD1 4.03Å; F242-L356 HydrophobicContact CE2-CD1 3.88Å; D264-L356 HydrophobicContact CB-CB 3.81Å; D264-L356 PolarHBondContact OD2-N 2.99Å; E268-L356 HydrophobicContact CG-CD2 3.79Å; L343-L356 HydrophobicContact CD2-CD1 4.42Å; L356-R358 PolarHBondContact O-N 2.85Å; L356-N402 PolarHBondContact O-ND2 2.75Å; L356-I403 WeakPolarHBondContact O-CD1 3.11Å
357	K	98.3	Very high	97.2	Very high	49 Å²	49	43 Å²	43	21%	0.213	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	111.5	163.8	-52.8	179.9	-57.3	102.6	0	107.7	P340 P341 G342 F344 M355 I403	P340-K357 PolarHBondContact O-NZ 2.72Å; P341-K357 VanDerWaalsContact CA-O 3.29Å; P341-K357 WeakPolarHBondContact CA-O 3.49Å; P341-K357 WeakPolarHBondContact CB-O 3.38Å; G342-K357 PolarHBondContact N-O 2.98Å; G342-K357 WeakPolarHBondContact O-CA 3.25Å; G342-K357 WeakPolarHBondContact O-CB 3.29Å; G342-K357 WeakPolarHBondContact O-CE 3.42Å; G342-K357 VanDerWaalsContact O-CG 3.3Å; G342-K357 WeakPolarHBondContact O-CG 3.39Å; G342-K357 PolarHBondContact O-N 3Å; F344-K357 HydrophobicContact CB-CG 4.12Å; F344-K357 HydrophobicContact CD2-CD 4.32Å; F344-K357 HydrophobicContact CD2-CG 4.48Å; M355-K357 PolarHBondContact O-N 3.48Å; K357-I403 HydrophobicContact CG-CD1 4.18Å; K357-I403 HydrophobicContact CG-CG1 4.03Å
358	R	97.1	Very high	97.4	Very high	101 Å²	101	35.9 Å²	35.9	38%	0.381	17%	0.171	S	C	.	.			trans	-69.7	155	-176.4	78	-173.3	172.2	109	7.3	112.1	L356 I360 D364 N402	L356-R358 PolarHBondContact O-N 2.85Å; R358-I360 HydrophobicContact CG-CD1 4.48Å; R358-I360 PolarHBondContact O-N 3.3Å; R358-D364 IonicContact CZ-OD1 3.04Å; R358-D364 VanDerWaalsContact CZ-OD1 3.24Å; R358-D364 IonicContact CZ-OD2 3.56Å; R358-D364 IonicContact NH1-OD1 2.65Å; R358-D364 PolarHBondContact NH1-OD1 2.91Å; R358-D364 IonicContact NH1-OD2 3.26Å; R358-D364 PolarHBondContact NH1-OD2 2.8Å; R358-D364 IonicContact NH2-OD1 2.71Å; R358-D364 PolarHBondContact NH2-OD1 3.19Å; R358-D364 IonicContact NH2-OD2 3.3Å; R358-N402 HydrophobicContact CG-CB 4.1Å; R358-N402 WeakPolarHBondContact CG-OD1 3.33Å; R358-N402 PolarHBondContact N-OD1 2.76Å
359	R	97.9	Very high	97.7	Very high	40 Å²	40	34.7 Å²	34.7	15%	0.151	16%	0.159	C	C	.	.			trans	-72.3	107.6	174.5	-178.4	175.8	-82	-84.7	8	110	A211 P212 E238 P341 R361	A211-R359 PolarHBondContact O-NH1 2.66Å; P212-R359 VanDerWaalsContact O-CZ 3.29Å; P212-R359 PolarHBondContact O-NH1 3Å; P212-R359 PolarHBondContact O-NH2 2.91Å; E238-R359 IonicContact OE1-CZ 2.75Å; E238-R359 IonicContact OE1-NE 2.7Å; E238-R359 IonicContact OE1-NH2 3.36Å; E238-R359 PolarHBondContact OE1-NH2 3.01Å; E238-R359 IonicContact OE2-CZ 3.82Å; E238-R359 IonicContact OE2-NE 3.79Å; E238-R359 PolarHBondContact OE2-NE 3.23Å; E238-R359 IonicContact OE2-NH2 3.84Å; P341-R359 HydrophobicContact CB-CB 4.06Å; P341-R359 HydrophobicContact CG-CB 4.06Å; P341-R359 HydrophobicContact CG-CG 4.39Å; R359-R361 PolarHBondContact O-NE 2.71Å
360	I	98.2	Very high	98	Very high	15 Å²	15	29.9 Å²	29.9	8%	0.077	13%	0.134	C	C	.	.			trans	-62.4	134	178.8	-51.6	-56.6	0	0	0	110.4	I338 R358 D364 I365 W399	I338-I360 HydrophobicContact CG2-CB 3.96Å; I338-I360 HydrophobicContact CG2-CG1 4.03Å; I338-I360 HydrophobicContact CG2-CG2 4.4Å; R358-I360 HydrophobicContact CG-CD1 4.48Å; R358-I360 PolarHBondContact O-N 3.3Å; I360-D364 HydrophobicContact CG2-CB 3.82Å; I360-I365 HydrophobicContact CG2-CD1 3.61Å; I360-I365 HydrophobicContact CG2-CG1 4.39Å; I360-W399 HydrophobicContact CG2-CB 4.4Å; I360-W399 HydrophobicContact CG2-CG 4.11Å
361	R	97.6	Very high	98	Very high	137 Å²	137	37 Å²	37	52%	0.517	16%	0.164	S	C	.	.			trans	-111.5	162.4	-179	-52.6	-58.4	-177.2	156.5	4.2	111	R359 Q363 D364	R359-R361 PolarHBondContact O-NE 2.71Å; R361-Q363 PolarHBondContact O-N 3.1Å; R361-Q363 VanDerWaalsContact O-N 3.13Å; R361-D364 PolarHBondContact N-OD2 3.28Å; R361-D364 WeakPolarHBondContact O-CB 3.43Å; R361-D364 PolarHBondContact O-N 3.1Å
362	P	98.3	Very high	98	Very high	10 Å²	10	40.9 Å²	40.9	7%	0.065	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-50.1	-35.9	173.5	-29.8	37.5	0	0	0	113.9	F210 D364 I365 P379 T382 K383 W384 K385	F210-P362 HydrophobicContact CE1-CG 4.16Å; F210-P362 HydrophobicContact CE2-CG 3.98Å; F210-P362 HydrophobicContact CZ-CB 4.16Å; F210-P362 HydrophobicContact CZ-CG 3.64Å; P362-D364 PolarHBondContact O-N 2.96Å; P362-I365 WeakPolarHBondContact O-CB 3.22Å; P362-I365 PolarHBondContact O-N 2.86Å; P362-P379 HydrophobicContact CG-CG 3.92Å; P362-T382 WeakPolarHBondContact CB-OG1 3.45Å; P362-T382 HydrophobicContact CG-CG2 4.19Å; P362-T382 WeakPolarHBondContact CG-OG1 3.32Å; P362-K383 CarbonylContact C-O 3.57Å; P362-K383 WeakPolarHBondContact CB-O 3.45Å; P362-W384 HydrophobicContact CB-CE3 4.07Å; P362-W384 HydrophobicContact CB-CZ3 4.16Å; P362-W384 CarbonylContact O-C 3.41Å; P362-W384 WeakPolarHBondContact O-CA 3.42Å; P362-K385 PolarHBondContact O-N 3.29Å
363	Q	98.1	Very high	98	Very high	91 Å²	91	39.9 Å²	39.9	43%	0.425	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-69.8	-9.5	178.2	-60.6	83	-8.4	0	0	114.1	R361 K383 K385	R361-Q363 PolarHBondContact O-N 3.1Å; R361-Q363 VanDerWaalsContact O-N 3.13Å; Q363-K383 HydrophobicContact CG-CG 4.39Å; Q363-K383 PolarHBondContact N-O 3.25Å; Q363-K385 VanDerWaalsContact O-CB 3.27Å; Q363-K385 WeakPolarHBondContact O-CB 3.04Å; Q363-K385 WeakPolarHBondContact O-CG 3.27Å
364	D	98.2	Very high	97.9	Very high	26 Å²	26	47.1 Å²	47.1	14%	0.139	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-92.6	-17.5	169.7	-61.6	-61.6	0	0	0	112.7	R358 I360 R361 P362	R358-D364 IonicContact CZ-OD1 3.04Å; R358-D364 VanDerWaalsContact CZ-OD1 3.24Å; R358-D364 IonicContact CZ-OD2 3.56Å; R358-D364 IonicContact NH1-OD1 2.65Å; R358-D364 PolarHBondContact NH1-OD1 2.91Å; R358-D364 IonicContact NH1-OD2 3.26Å; R358-D364 PolarHBondContact NH1-OD2 2.8Å; R358-D364 IonicContact NH2-OD1 2.71Å; R358-D364 PolarHBondContact NH2-OD1 3.19Å; R358-D364 IonicContact NH2-OD2 3.3Å; I360-D364 HydrophobicContact CG2-CB 3.82Å; R361-D364 PolarHBondContact N-OD2 3.28Å; R361-D364 WeakPolarHBondContact O-CB 3.43Å; R361-D364 PolarHBondContact O-N 3.1Å; P362-D364 PolarHBondContact O-N 2.96Å
365	I	98.7	Very high	97.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-88.8	128.1	-168.5	-62.6	-51.7	0	0	0	112.5	P208 F210 I338 I360 P362 I367 W384 K385 V397 W399	P208-I365 HydrophobicContact CG-CG2 4.3Å; F210-I365 HydrophobicContact CE1-CG1 4.18Å; F210-I365 HydrophobicContact CZ-CG1 3.84Å; I338-I365 HydrophobicContact CD1-CD1 3.88Å; I338-I365 HydrophobicContact CD1-CG1 4.37Å; I360-I365 HydrophobicContact CG2-CD1 3.61Å; I360-I365 HydrophobicContact CG2-CG1 4.39Å; P362-I365 WeakPolarHBondContact O-CB 3.22Å; P362-I365 PolarHBondContact O-N 2.86Å; I365-I367 HydrophobicContact CG2-CD1 3.86Å; I365-I367 HydrophobicContact CG2-CG1 4.36Å; I365-W384 HydrophobicContact CB-CE3 3.83Å; I365-W384 HydrophobicContact CB-CZ3 4.13Å; I365-W384 HydrophobicContact CG1-CE3 4.5Å; I365-W384 HydrophobicContact CG1-CZ3 4.36Å; I365-W384 HydrophobicContact CG2-CE3 3.8Å; I365-W384 HydrophobicContact CG2-CZ3 3.98Å; I365-K385 WeakPolarHBondContact O-CA 3.21Å; I365-K385 WeakPolarHBondContact O-CB 3.4Å; I365-K385 PolarHBondContact O-N 3.02Å; I365-V397 HydrophobicContact CD1-CG1 4.5Å; I365-V397 HydrophobicContact CG2-CG1 3.39Å; I365-W399 HydrophobicContact CD1-CB 3.85Å; I365-W399 HydrophobicContact CD1-CD2 4.32Å; I365-W399 HydrophobicContact CD1-CE3 4.16Å; I365-W399 HydrophobicContact CD1-CG 4.23Å
366	I	98.8	Very high	97.8	Very high	20 Å²	20	50.8 Å²	50.8	10%	0.103	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.1	166.8	-55.7	176.9	0	0	0	109.2	K385 E386 R388 W395 V397 S398	I366-K385 HydrophobicContact CD1-CD 4.43Å; I366-K385 HydrophobicContact CG1-CB 4.26Å; I366-K385 HydrophobicContact CG1-CD 4.06Å; I366-K385 HydrophobicContact CG1-CG 4.44Å; I366-E386 WeakPolarHBondContact CA-O 3.36Å; I366-E386 HydrophobicContact CG1-CB 4.15Å; I366-E386 HydrophobicContact CG2-CB 4.1Å; I366-R388 HydrophobicContact CG2-CG 4.19Å; I366-W395 HydrophobicContact CB-CH2 4.39Å; I366-W395 HydrophobicContact CB-CZ3 4.47Å; I366-W395 HydrophobicContact CG2-CH2 3.66Å; I366-W395 HydrophobicContact CG2-CZ3 4.02Å; I366-V397 CarbonylContact O-C 3.53Å; I366-V397 WeakPolarHBondContact O-CA 3.3Å; I366-S398 PolarHBondContact N-O 2.85Å; I366-S398 PolarHBondContact O-N 3.43Å
367	I	98.8	Very high	97.6	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	143.7	175.5	-62.8	-60.8	0	0	0	110.4	I365 P376 W384 E386 V387 R388 V397	I365-I367 HydrophobicContact CG2-CD1 3.86Å; I365-I367 HydrophobicContact CG2-CG1 4.36Å; I367-P376 HydrophobicContact CD1-CG 3.96Å; I367-P376 HydrophobicContact CG1-CG 4.13Å; I367-P376 HydrophobicContact CG2-CG 3.6Å; I367-W384 HydrophobicContact CD1-CD2 4.17Å; I367-W384 HydrophobicContact CD1-CE3 4.46Å; I367-W384 HydrophobicContact CD1-CH2 4.44Å; I367-W384 HydrophobicContact CD1-CZ2 4.14Å; I367-W384 HydrophobicContact CG1-CB 4.47Å; I367-W384 HydrophobicContact CG1-CD2 3.79Å; I367-W384 HydrophobicContact CG1-CE3 4.45Å; I367-W384 HydrophobicContact CG1-CG 3.8Å; I367-W384 HydrophobicContact CG1-CZ2 4.43Å; I367-E386 PolarHBondContact N-O 2.85Å; I367-V387 HydrophobicContact CB-CB 4.47Å; I367-V387 HydrophobicContact CB-CG1 4.29Å; I367-V387 HydrophobicContact CB-CG2 4.17Å; I367-V387 HydrophobicContact CG2-CG1 4.05Å; I367-R388 WeakPolarHBondContact O-CG 3.5Å; I367-R388 PolarHBondContact O-N 3.35Å; I367-V397 HydrophobicContact CD1-CG1 4.27Å; I367-V397 HydrophobicContact CD1-CG2 4.14Å
368	N	98.7	Very high	97.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	110.2	174.6	-173.5	49	0	0	0	112.2	L203 H205 R388 D390 V393 W395 L396	L203-N368 WeakPolarHBondContact CD2-O 3.1Å; H205-N368 PolarHBondContact NE2-O 2.98Å; N368-R388 WeakPolarHBondContact CA-O 3.39Å; N368-R388 HydrophobicContact CB-CG 4.2Å; N368-R388 PolarHBondContact OD1-O 3.07Å; N368-D390 PolarHBondContact ND2-O 3.13Å; N368-D390 VanDerWaalsContact ND2-O 3.16Å; N368-D390 PolarHBondContact OD1-N 2.69Å; N368-V393 WeakPolarHBondContact ND2-CG2 3.45Å; N368-W395 HydrophobicContact CB-CD2 4.42Å; N368-W395 HydrophobicContact CB-CE3 3.71Å; N368-W395 HydrophobicContact CB-CH2 3.86Å; N368-W395 HydrophobicContact CB-CZ3 3.4Å; N368-W395 VanDerWaalsContact CB-CZ3 3.4Å; N368-W395 PolarHBondContact ND2-O 2.96Å; N368-L396 PolarHBondContact N-O 3Å
369	C	98.3	Very high	97.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.257	C	S	.	.			trans	-145.2	172.4	-175.9	61.1	0	0	0	0	110.5	L203 S373 R388 H389	L203-C369 WeakPolarHBondContact O-CA 3.4Å; L203-C369 WeakPolarHBondContact O-CB 3.31Å; C369-S373 WeakPolarHBondContact CB-OG 3.23Å; C369-R388 PolarHBondContact N-O 2.97Å; C369-H389 WeakPolarHBondContact O-CA 3.45Å; C369-H389 PolarHBondContact O-ND1 3.46Å
370	S	97.9	Very high	97.4	Very high	5 Å²	5	57.5 Å²	57.5	4%	0.035	29%	0.291	C	S	.	.			trans	-74.7	155.5	175.1	-61	0	0	0	0	112.5	W200 K201 F202 L203 D372 S373 Y375	W200-S370 WeakPolarHBondContact CZ3-OG 3.07Å; K201-S370 PolarHBondContact O-OG 3.42Å; F202-S370 VanDerWaalsContact CA-OG 3.26Å; F202-S370 WeakPolarHBondContact CA-OG 3.16Å; L203-S370 PolarHBondContact N-OG 3.01Å; L203-S370 PolarHBondContact O-N 2.91Å; S370-D372 WeakPolarHBondContact CB-OD1 3.34Å; S370-D372 PolarHBondContact O-N 2.86Å; S370-S373 PolarHBondContact N-OG 3.22Å; S370-S373 WeakPolarHBondContact O-CB 3.25Å; S370-S373 PolarHBondContact O-N 2.77Å; S370-S373 PolarHBondContact O-OG 3.25Å; S370-Y375 WeakPolarHBondContact O-CE1 3.39Å
371	K	97.1	Very high	97.3	Very high	165 Å²	165	61.2 Å²	61.2	72%	0.717	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-23.8	179.8	-65.7	-177.9	178.1	-177.9	0	113.9	Y375 H389	K371-Y375 PolarHBondContact O-OH 3.34Å; K371-H389 HydrophobicContact CG-CB 3.8Å
372	D	95.9	Very high	97.3	Very high	120 Å²	120	56.9 Å²	56.9	64%	0.642	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	2.5	-179.9	57.8	-21.8	0	0	0	113.1	S370	S370-D372 WeakPolarHBondContact CB-OD1 3.34Å; S370-D372 PolarHBondContact O-N 2.86Å
373	S	96.9	Very high	97.3	Very high	11 Å²	11	63.6 Å²	63.6	8%	0.077	35%	0.35	C	S	.	.	S	Bend	trans	-85.7	158.5	176.7	71.8	0	0	0	0	112.8	L203 C369 S370 Y375	L203-S373 VanDerWaalsContact O-CB 3.29Å; L203-S373 WeakPolarHBondContact O-CB 3.49Å; L203-S373 PolarHBondContact O-OG 2.89Å; C369-S373 WeakPolarHBondContact CB-OG 3.23Å; S370-S373 PolarHBondContact N-OG 3.22Å; S370-S373 WeakPolarHBondContact O-CB 3.25Å; S370-S373 PolarHBondContact O-N 2.77Å; S370-S373 PolarHBondContact O-OG 3.25Å; S373-Y375 WeakPolarHBondContact O-CD1 3.47Å; S373-Y375 WeakPolarHBondContact O-CE1 2.95Å; S373-Y375 PolarHBondContact O-N 3.35Å; S373-Y375 VanDerWaalsContact O-N 3.14Å
374	K	96.9	Very high	97.3	Very high	152 Å²	152	60.5 Å²	60.5	66%	0.661	34%	0.335	S	S	*	.			trans	-75.1	104.1	167.7	-175.1	168.3	-178.3	164.2	0	110.2	E204	E204-K374 VanDerWaalsContact OE2-CB 3.29Å; E204-K374 WeakPolarHBondContact OE2-CB 3.14Å; E204-K374 PolarHBondContact OE2-N 3.39Å
375	Y	96.3	Very high	97.3	Very high	101 Å²	101	64.8 Å²	64.8	40%	0.396	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-59.2	141.6	-178.2	-59	-1.6	0	0	0	111.3	S370 K371 S373 T377 V387 H389	S370-Y375 WeakPolarHBondContact O-CE1 3.39Å; K371-Y375 PolarHBondContact O-OH 3.34Å; S373-Y375 WeakPolarHBondContact O-CD1 3.47Å; S373-Y375 WeakPolarHBondContact O-CE1 2.95Å; S373-Y375 PolarHBondContact O-N 3.35Å; S373-Y375 VanDerWaalsContact O-N 3.14Å; Y375-T377 PolarHBondContact O-N 2.86Å; Y375-V387 HydrophobicContact CD2-CG1 4.16Å; Y375-V387 HydrophobicContact CE2-CG1 4.41Å; Y375-H389 AromaticContact CE1-CE1 3.67Å; Y375-H389 AromaticContact CE2-CE1 3.98Å; Y375-H389 AromaticContact CZ-CE1 3.36Å; Y375-H389 AromaticContact CZ-NE2 3.81Å; Y375-H389 PolarHBondContact OH-CE1 3.22Å; Y375-H389 PolarHBondContact OH-NE2 2.85Å
376	P	96.5	Very high	97.3	Very high	11 Å²	11	68.2 Å²	68.2	7%	0.071	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-68.5	131	175.3	28.6	-34.7	0	0	0	110.8	K206 I367 W384	K206-P376 WeakPolarHBondContact O-CB 3.36Å; I367-P376 HydrophobicContact CD1-CG 3.96Å; I367-P376 HydrophobicContact CG1-CG 4.13Å; I367-P376 HydrophobicContact CG2-CG 3.6Å; P376-W384 HydrophobicContact CB-CZ2 4.4Å; P376-W384 PolarHBondContact O-NE1 3.05Å
377	T	96.1	Very high	97.3	Very high	121 Å²	121	69.9 Å²	69.9	74%	0.742	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-77.7	136	175.1	47.8	0	0	0	0	111	Y375	Y375-T377 PolarHBondContact O-N 2.86Å
378	P	96.9	Very high	97.2	Very high	42 Å²	42	73.7 Å²	73.7	27%	0.273	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-67.2	161.6	171.4	31.2	-35.6	0	0	0	111.1	T382 W384	P378-T382 VanDerWaalsContact CG-O 3.27Å; P378-T382 WeakPolarHBondContact CG-O 3.39Å; P378-W384 VanDerWaalsContact CA-CZ2 3.48Å; P378-W384 HydrophobicContact CB-CD2 3.92Å; P378-W384 HydrophobicContact CB-CE3 4.3Å; P378-W384 HydrophobicContact CB-CG 4.34Å; P378-W384 HydrophobicContact CB-CH2 4.47Å; P378-W384 HydrophobicContact CB-CZ2 4.1Å
379	P	95.9	Very high	97.2	Very high	48 Å²	48	76.6 Å²	76.6	31%	0.312	41%	0.407	S	S	.	.	S	Bend	trans	-52.7	145.1	170.1	-26.6	35.2	0	0	0	112.3	F210 P362 G381 T382	F210-P379 HydrophobicContact CD2-CG 4.1Å; F210-P379 HydrophobicContact CE2-CG 3.99Å; P362-P379 HydrophobicContact CG-CG 3.92Å; P379-G381 PolarHBondContact O-N 3.06Å; P379-T382 WeakPolarHBondContact CD-OG1 3.29Å; P379-T382 WeakPolarHBondContact O-CB 3.26Å; P379-T382 PolarHBondContact O-N 2.72Å; P379-T382 PolarHBondContact O-OG1 3.01Å
380	P	96.3	Very high	97.2	Very high	133 Å²	133	79 Å²	79	86%	0.864	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	138.6	-178.3	-29.2	35.8	0	0	0	113.4	T382	P380-T382 PolarHBondContact O-N 2.75Å
381	G	95.9	Very high	97.1	Very high	93 Å²	93	81.4 Å²	81.4	96%	0.959	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	4.9	-176.6	0	0	0	0	0	115.3	P379	P379-G381 PolarHBondContact O-N 3.06Å
382	T	97	Very high	97	Very high	45 Å²	45	80.9 Å²	80.9	28%	0.276	43%	0.43	S	S	.	.			trans	-123.5	168	179.6	75.8	0	0	0	0	112.5	P362 P378 P379 P380	P362-T382 WeakPolarHBondContact CB-OG1 3.45Å; P362-T382 HydrophobicContact CG-CG2 4.19Å; P362-T382 WeakPolarHBondContact CG-OG1 3.32Å; P378-T382 VanDerWaalsContact CG-O 3.27Å; P378-T382 WeakPolarHBondContact CG-O 3.39Å; P379-T382 WeakPolarHBondContact CD-OG1 3.29Å; P379-T382 WeakPolarHBondContact O-CB 3.26Å; P379-T382 PolarHBondContact O-N 2.72Å; P379-T382 PolarHBondContact O-OG1 3.01Å; P380-T382 PolarHBondContact O-N 2.75Å
383	K	97.7	Very high	97.1	Very high	151 Å²	151	76.9 Å²	76.9	66%	0.657	41%	0.41	S	S	*	.			trans	-132	151.3	174.2	64.1	179.9	-179.5	-178.8	0	110.8	P362 Q363	P362-K383 CarbonylContact C-O 3.57Å; P362-K383 WeakPolarHBondContact CB-O 3.45Å; Q363-K383 HydrophobicContact CG-CG 4.39Å; Q363-K383 PolarHBondContact N-O 3.25Å
384	W	98.6	Very high	97	Very high	27 Å²	27	77.2 Å²	77.2	10%	0.102	41%	0.411	C	S	.	.			trans	-63.5	158.8	165.9	-57.1	130.2	0	0	0	110.9	P208 F210 P362 I365 I367 P376 P378 E386 V387	P208-W384 HydrophobicContact CG-CH2 4.02Å; P208-W384 HydrophobicContact CG-CZ3 4.11Å; F210-W384 HydrophobicContact CE2-CH2 4.19Å; F210-W384 AromaticContact CE2-CZ3 3.89Å; F210-W384 HydrophobicContact CE2-CZ3 3.89Å; F210-W384 AromaticContact CZ-CZ3 3.94Å; F210-W384 HydrophobicContact CZ-CZ3 3.94Å; P362-W384 HydrophobicContact CB-CE3 4.07Å; P362-W384 HydrophobicContact CB-CZ3 4.16Å; P362-W384 CarbonylContact O-C 3.41Å; P362-W384 WeakPolarHBondContact O-CA 3.42Å; I365-W384 HydrophobicContact CB-CE3 3.83Å; I365-W384 HydrophobicContact CB-CZ3 4.13Å; I365-W384 HydrophobicContact CG1-CE3 4.5Å; I365-W384 HydrophobicContact CG1-CZ3 4.36Å; I365-W384 HydrophobicContact CG2-CE3 3.8Å; I365-W384 HydrophobicContact CG2-CZ3 3.98Å; I367-W384 HydrophobicContact CD1-CD2 4.17Å; I367-W384 HydrophobicContact CD1-CE3 4.46Å; I367-W384 HydrophobicContact CD1-CH2 4.44Å; I367-W384 HydrophobicContact CD1-CZ2 4.14Å; I367-W384 HydrophobicContact CG1-CB 4.47Å; I367-W384 HydrophobicContact CG1-CD2 3.79Å; I367-W384 HydrophobicContact CG1-CE3 4.45Å; I367-W384 HydrophobicContact CG1-CG 3.8Å; I367-W384 HydrophobicContact CG1-CZ2 4.43Å; P376-W384 HydrophobicContact CB-CZ2 4.4Å; P376-W384 PolarHBondContact O-NE1 3.05Å; P378-W384 VanDerWaalsContact CA-CZ2 3.48Å; P378-W384 HydrophobicContact CB-CD2 3.92Å; P378-W384 HydrophobicContact CB-CE3 4.3Å; P378-W384 HydrophobicContact CB-CG 4.34Å; P378-W384 HydrophobicContact CB-CH2 4.47Å; P378-W384 HydrophobicContact CB-CZ2 4.1Å; W384-E386 VanDerWaalsContact C-N 3.33Å; W384-V387 HydrophobicContact CB-CG2 4.43Å; W384-V387 HydrophobicContact CG-CG2 4.43Å
385	K	98.5	Very high	97.1	Very high	116 Å²	116	70.8 Å²	70.8	50%	0.504	38%	0.383	S	S	.	.	S	Bend	trans	-63.1	-44.3	167.8	-168.9	175.1	174.6	178.4	0	110.8	P362 Q363 I365 I366	P362-K385 PolarHBondContact O-N 3.29Å; Q363-K385 VanDerWaalsContact O-CB 3.27Å; Q363-K385 WeakPolarHBondContact O-CB 3.04Å; Q363-K385 WeakPolarHBondContact O-CG 3.27Å; I365-K385 WeakPolarHBondContact O-CA 3.21Å; I365-K385 WeakPolarHBondContact O-CB 3.4Å; I365-K385 PolarHBondContact O-N 3.02Å; I366-K385 HydrophobicContact CD1-CD 4.43Å; I366-K385 HydrophobicContact CG1-CB 4.26Å; I366-K385 HydrophobicContact CG1-CD 4.06Å; I366-K385 HydrophobicContact CG1-CG 4.44Å
386	E	98.4	Very high	97.2	Very high	72 Å²	72	66 Å²	66	34%	0.336	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	149.4	-173.4	-170.1	-165	145.6	0	0	109.6	I366 I367 W384 R388	I366-E386 WeakPolarHBondContact CA-O 3.36Å; I366-E386 HydrophobicContact CG1-CB 4.15Å; I366-E386 HydrophobicContact CG2-CB 4.1Å; I367-E386 PolarHBondContact N-O 2.85Å; W384-E386 VanDerWaalsContact C-N 3.33Å; E386-R388 IonicContact OE1-CZ 3.22Å; E386-R388 IonicContact OE1-NE 2.85Å; E386-R388 PolarHBondContact OE1-NE 3.34Å; E386-R388 IonicContact OE1-NH2 3.69Å; E386-R388 PolarHBondContact OE1-NH2 3.34Å; E386-R388 IonicContact OE2-CZ 3.66Å; E386-R388 IonicContact OE2-NE 2.7Å; E386-R388 IonicContact OE2-NH2 2.77Å; E386-R388 PolarHBondContact OE2-NH2 3.03Å
387	V	98.4	Very high	97.3	Very high	54 Å²	54	65.5 Å²	65.5	33%	0.327	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	127.7	165.1	-177	0	0	0	0	107.3	I367 Y375 W384	I367-V387 HydrophobicContact CB-CB 4.47Å; I367-V387 HydrophobicContact CB-CG1 4.29Å; I367-V387 HydrophobicContact CB-CG2 4.17Å; I367-V387 HydrophobicContact CG2-CG1 4.05Å; Y375-V387 HydrophobicContact CD2-CG1 4.16Å; Y375-V387 HydrophobicContact CE2-CG1 4.41Å; W384-V387 HydrophobicContact CB-CG2 4.43Å; W384-V387 HydrophobicContact CG-CG2 4.43Å
388	R	98.1	Very high	97.4	Very high	80 Å²	80	59.9 Å²	59.9	30%	0.302	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	172.3	179.9	66.8	168.6	69.1	167.8	3.4	112.7	I366 I367 N368 C369 E386 W395	I366-R388 HydrophobicContact CG2-CG 4.19Å; I367-R388 WeakPolarHBondContact O-CG 3.5Å; I367-R388 PolarHBondContact O-N 3.35Å; N368-R388 WeakPolarHBondContact CA-O 3.39Å; N368-R388 HydrophobicContact CB-CG 4.2Å; N368-R388 PolarHBondContact OD1-O 3.07Å; C369-R388 PolarHBondContact N-O 2.97Å; E386-R388 IonicContact OE1-CZ 3.22Å; E386-R388 IonicContact OE1-NE 2.85Å; E386-R388 PolarHBondContact OE1-NE 3.34Å; E386-R388 IonicContact OE1-NH2 3.69Å; E386-R388 PolarHBondContact OE1-NH2 3.34Å; E386-R388 IonicContact OE2-CZ 3.66Å; E386-R388 IonicContact OE2-NE 2.7Å; E386-R388 IonicContact OE2-NH2 2.77Å; E386-R388 PolarHBondContact OE2-NH2 3.03Å; R388-W395 HydrophobicContact CG-CH2 4.22Å
389	H	98.1	Very high	97.5	Very high	62 Å²	62	58.3 Å²	58.3	29%	0.287	32%	0.315	S	S	.	.			trans	-136.4	55.1	-171.9	-47.9	-65	0	0	0	110.9	C369 K371 Y375	C369-H389 WeakPolarHBondContact O-CA 3.45Å; C369-H389 PolarHBondContact O-ND1 3.46Å; K371-H389 HydrophobicContact CG-CB 3.8Å; Y375-H389 AromaticContact CE1-CE1 3.67Å; Y375-H389 AromaticContact CE2-CE1 3.98Å; Y375-H389 AromaticContact CZ-CE1 3.36Å; Y375-H389 AromaticContact CZ-NE2 3.81Å; Y375-H389 PolarHBondContact OH-CE1 3.22Å; Y375-H389 PolarHBondContact OH-NE2 2.85Å
390	D	97.7	Very high	97.6	Very high	50 Å²	50	58.5 Å²	58.5	27%	0.267	32%	0.316	S	S	.	.			trans	-93.1	100.8	-178.9	-179.7	2.1	0	0	0	110.8	W200 N368 K392 V393	W200-D390 WeakPolarHBondContact CZ2-O 3.34Å; N368-D390 PolarHBondContact ND2-O 3.13Å; N368-D390 VanDerWaalsContact ND2-O 3.16Å; N368-D390 PolarHBondContact OD1-N 2.69Å; D390-K392 VanDerWaalsContact C-N 3.28Å; D390-K392 PolarHBondContact O-N 2.84Å; D390-K392 WeakPolarHBondContact OD1-CB 3.35Å; D390-K392 PolarHBondContact OD1-N 3.13Å; D390-V393 HydrophobicContact CB-CG2 3.95Å; D390-V393 VanDerWaalsContact O-CG2 3.27Å; D390-V393 WeakPolarHBondContact O-CG2 2.99Å; D390-V393 WeakPolarHBondContact OD2-CG1 3.5Å
391	N	96.3	Very high	97.6	Very high	56 Å²	56	53 Å²	53	30%	0.299	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	4	179.4	73.9	-13.8	0	0	0	114.7	V198 K199 W200	V198-N391 HydrophobicContact CG1-CB 4.29Å; K199-N391 WeakPolarHBondContact CB-O 3.12Å; K199-N391 PolarHBondContact N-O 3.5Å; W200-N391 HydrophobicContact CD2-CB 4.04Å; W200-N391 HydrophobicContact CE3-CB 3.84Å; W200-N391 HydrophobicContact CH2-CB 3.98Å; W200-N391 HydrophobicContact CZ2-CB 4.16Å; W200-N391 HydrophobicContact CZ3-CB 3.78Å; W200-N391 WeakPolarHBondContact O-CB 3.29Å
392	K	95.8	Very high	97.7	Very high	153 Å²	153	51.4 Å²	51.4	67%	0.665	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-15.2	174.8	-56.8	-179.8	-179	179.8	0	112	K199 D390	K199-K392 VanDerWaalsContact CG-O 3.3Å; K199-K392 WeakPolarHBondContact CG-O 3.35Å; D390-K392 VanDerWaalsContact C-N 3.28Å; D390-K392 PolarHBondContact O-N 2.84Å; D390-K392 WeakPolarHBondContact OD1-CB 3.35Å; D390-K392 PolarHBondContact OD1-N 3.13Å
393	V	96.3	Very high	97.7	Very high	37 Å²	37	49.4 Å²	49.4	22%	0.224	24%	0.235	C	C	.	.	S	Bend	trans	-105.4	165.1	178.6	-62.3	0	0	0	0	113	W200 N368 D390 W395	W200-V393 PolarHBondContact NE1-O 2.98Å; N368-V393 WeakPolarHBondContact ND2-CG2 3.45Å; D390-V393 HydrophobicContact CB-CG2 3.95Å; D390-V393 VanDerWaalsContact O-CG2 3.27Å; D390-V393 WeakPolarHBondContact O-CG2 2.99Å; D390-V393 WeakPolarHBondContact OD2-CG1 3.5Å; V393-W395 HydrophobicContact CG2-CD2 4.4Å; V393-W395 HydrophobicContact CG2-CG 4.39Å; V393-W395 HydrophobicContact CG2-CZ2 4.38Å
394	T	96.4	Very high	97.5	Very high	17 Å²	17	46.2 Å²	46.2	10%	0.104	22%	0.223	C	C	.	.			trans	-119.5	26.3	-172.3	79.2	0	0	0	0	113.4	K199 M411 I418 K422	K199-T394 HydrophobicContact CB-CG2 4.22Å; K199-T394 HydrophobicContact CD-CG2 3.98Å; K199-T394 HydrophobicContact CG-CG2 3.96Å; T394-M411 WeakPolarHBondContact O-CG 3.47Å; T394-I418 HydrophobicContact CG2-CD1 3.58Å; T394-I418 HydrophobicContact CG2-CG1 3.84Å; T394-K422 VanDerWaalsContact CG2-NZ 3.31Å
395	W	98	Very high	97.3	Very high	17 Å²	17	47.3 Å²	47.3	6%	0.064	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	148.3	177.6	58.7	-97.8	0	0	0	110.5	I366 N368 R388 V393 S398 Y409 I410 M411	I366-W395 HydrophobicContact CB-CH2 4.39Å; I366-W395 HydrophobicContact CB-CZ3 4.47Å; I366-W395 HydrophobicContact CG2-CH2 3.66Å; I366-W395 HydrophobicContact CG2-CZ3 4.02Å; N368-W395 HydrophobicContact CB-CD2 4.42Å; N368-W395 HydrophobicContact CB-CE3 3.71Å; N368-W395 HydrophobicContact CB-CH2 3.86Å; N368-W395 HydrophobicContact CB-CZ3 3.4Å; N368-W395 VanDerWaalsContact CB-CZ3 3.4Å; N368-W395 PolarHBondContact ND2-O 2.96Å; R388-W395 HydrophobicContact CG-CH2 4.22Å; V393-W395 HydrophobicContact CG2-CD2 4.4Å; V393-W395 HydrophobicContact CG2-CG 4.39Å; V393-W395 HydrophobicContact CG2-CZ2 4.38Å; W395-S398 WeakPolarHBondContact CH2-OG 3.02Å; W395-S398 WeakPolarHBondContact CZ3-OG 3.06Å; W395-Y409 HydrophobicContact CB-CD1 3.58Å; W395-Y409 HydrophobicContact CB-CE1 4.4Å; W395-Y409 HydrophobicContact CB-CG 4.23Å; W395-Y409 AromaticContact CD1-CD1 3.53Å; W395-Y409 AromaticContact CD1-CE1 3.45Å; W395-Y409 VanDerWaalsContact CD1-CE1 3.45Å; W395-Y409 AromaticContact CD2-CD1 3.88Å; W395-Y409 HydrophobicContact CD2-CD1 3.88Å; W395-Y409 HydrophobicContact CD2-CE1 4.08Å; W395-Y409 AromaticContact CG-CD1 3.39Å; W395-Y409 HydrophobicContact CG-CD1 3.39Å; W395-Y409 AromaticContact CG-CE1 3.76Å; W395-Y409 HydrophobicContact CG-CE1 3.76Å; W395-Y409 HydrophobicContact CG-CG 4.45Å; W395-Y409 AromaticContact NE1-CE1 3.61Å; W395-I410 WeakPolarHBondContact CA-O 3.45Å; W395-M411 HydrophobicContact CB-CE 3.96Å; W395-M411 HydrophobicContact CB-CG 4.02Å
396	L	98.5	Very high	97.1	Very high	1 Å²	1	44 Å²	44	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-39	-175.7	-75.8	67.6	0	0	0	110.2	L203 H205 C324 I333 N368 I410 L412	L203-L396 HydrophobicContact CD1-CG 4.25Å; L203-L396 HydrophobicContact CD2-CG 4.4Å; H205-L396 HydrophobicContact CB-CD2 4.07Å; H205-L396 PolarHBondContact NE2-O 2.85Å; H205-L396 VanDerWaalsContact NE2-O 3.1Å; C324-L396 HydrophobicContact CB-CD2 3.92Å; I333-L396 HydrophobicContact CD1-CD2 3.61Å; I333-L396 HydrophobicContact CG1-CD2 3.85Å; N368-L396 PolarHBondContact N-O 3Å; L396-I410 PolarHBondContact N-O 3.31Å; L396-L412 HydrophobicContact CD1-CD2 3.72Å; L396-L412 HydrophobicContact CD1-CG 4.2Å; L396-L412 HydrophobicContact CD2-CD2 3.89Å; L396-L412 HydrophobicContact CG-CD2 4.47Å
397	V	98.8	Very high	97.1	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	142.3	180	-170.4	0	0	0	0	108.1	P208 I365 I366 I367 Y409 I410	P208-V397 HydrophobicContact CB-CG1 4.34Å; P208-V397 HydrophobicContact CG-CG1 4.13Å; I365-V397 HydrophobicContact CD1-CG1 4.5Å; I365-V397 HydrophobicContact CG2-CG1 3.39Å; I366-V397 CarbonylContact O-C 3.53Å; I366-V397 WeakPolarHBondContact O-CA 3.3Å; I367-V397 HydrophobicContact CD1-CG1 4.27Å; I367-V397 HydrophobicContact CD1-CG2 4.14Å; V397-Y409 CarbonylContact O-C 3.59Å; V397-Y409 WeakPolarHBondContact O-CA 3.28Å; V397-I410 HydrophobicContact CB-CB 3.91Å; V397-I410 HydrophobicContact CB-CD1 3.85Å; V397-I410 HydrophobicContact CB-CG1 3.88Å; V397-I410 HydrophobicContact CG1-CD1 4.28Å; V397-I410 HydrophobicContact CG2-CB 4.27Å; V397-I410 HydrophobicContact CG2-CD1 4.02Å; V397-I410 HydrophobicContact CG2-CG1 4.43Å; V397-I410 PolarHBondContact O-N 2.69Å
398	S	98.6	Very high	97.1	Very high	3 Å²	3	45.3 Å²	45.3	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	158.8	171.2	64.9	0	0	0	0	112.7	I366 W395 K408	I366-S398 PolarHBondContact N-O 2.85Å; I366-S398 PolarHBondContact O-N 3.43Å; W395-S398 WeakPolarHBondContact CH2-OG 3.02Å; W395-S398 WeakPolarHBondContact CZ3-OG 3.06Å; S398-K408 WeakPolarHBondContact CA-O 3.44Å; S398-K408 WeakPolarHBondContact CB-O 3.15Å
399	W	98.5	Very high	97.1	Very high	8 Å²	8	45.5 Å²	45.5	3%	0.03	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	161.4	174.5	71.2	93.3	0	0	0	110.9	I338 I360 I365 I407 K408 I410	I338-W399 HydrophobicContact CG1-CZ3 4.42Å; I338-W399 HydrophobicContact CG2-CH2 4.45Å; I338-W399 HydrophobicContact CG2-CZ2 4.23Å; I360-W399 HydrophobicContact CG2-CB 4.4Å; I360-W399 HydrophobicContact CG2-CG 4.11Å; I365-W399 HydrophobicContact CD1-CB 3.85Å; I365-W399 HydrophobicContact CD1-CD2 4.32Å; I365-W399 HydrophobicContact CD1-CE3 4.16Å; I365-W399 HydrophobicContact CD1-CG 4.23Å; W399-I407 WeakPolarHBondContact O-CA 3.44Å; W399-K408 HydrophobicContact CD2-CB 3.74Å; W399-K408 HydrophobicContact CE3-CB 4.19Å; W399-K408 HydrophobicContact CG-CB 4.27Å; W399-K408 HydrophobicContact CH2-CB 4Å; W399-K408 HydrophobicContact CZ2-CB 3.52Å; W399-K408 HydrophobicContact CZ2-CG 4.04Å; W399-K408 HydrophobicContact CZ3-CB 4.3Å; W399-K408 PolarHBondContact N-O 2.92Å; W399-K408 VanDerWaalsContact N-O 3.08Å; W399-K408 PolarHBondContact O-N 3.27Å; W399-I410 HydrophobicContact CZ3-CD1 4.47Å; W399-I410 HydrophobicContact CZ3-CG1 3.97Å
400	T	98.3	Very high	97.1	Very high	53 Å²	53	42.7 Å²	42.7	33%	0.325	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	123.7	173.8	-50.3	0	0	0	0	109.9	G405 S406	T400-G405 WeakPolarHBondContact CG2-O 3.37Å; T400-S406 WeakPolarHBondContact CA-O 3.15Å
401	E	96.3	Very high	97.1	Very high	18 Å²	18	42.4 Å²	42.4	8%	0.084	22%	0.223	C	C	.	.			trans	-85.3	155.9	171.6	66.1	67.2	-140.9	0	0	112	I403 Q404 G405 S406 K408	E401-I403 WeakPolarHBondContact OE2-CA 3.29Å; E401-I403 VanDerWaalsContact OE2-CB 3.29Å; E401-I403 WeakPolarHBondContact OE2-CB 3.45Å; E401-I403 PolarHBondContact OE2-N 2.99Å; E401-Q404 WeakPolarHBondContact OE1-CA 3.4Å; E401-Q404 WeakPolarHBondContact OE1-CB 3.41Å; E401-Q404 PolarHBondContact OE1-N 2.75Å; E401-Q404 PolarHBondContact OE2-N 2.9Å; E401-G405 VanDerWaalsContact O-CA 3.27Å; E401-G405 WeakPolarHBondContact O-CA 3.31Å; E401-G405 PolarHBondContact O-N 3.3Å; E401-G405 PolarHBondContact OE1-N 3.34Å; E401-S406 VanDerWaalsContact CG-OG 3.32Å; E401-S406 WeakPolarHBondContact CG-OG 3.38Å; E401-S406 PolarHBondContact N-O 2.94Å; E401-S406 WeakPolarHBondContact OE1-CB 3.45Å; E401-S406 PolarHBondContact OE1-N 2.79Å; E401-S406 PolarHBondContact OE1-OG 3.23Å; E401-K408 HydrophobicContact CB-CG 3.99Å; E401-K408 HydrophobicContact CG-CD 4.4Å; E401-K408 HydrophobicContact CG-CG 3.83Å
402	N	97.2	Very high	97.2	Very high	58 Å²	58	39.9 Å²	39.9	31%	0.31	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	0.3	-163.3	74.5	-80.4	0	0	0	115.9	L356 R358	L356-N402 PolarHBondContact O-ND2 2.75Å; R358-N402 HydrophobicContact CG-CB 4.1Å; R358-N402 WeakPolarHBondContact CG-OD1 3.33Å; R358-N402 PolarHBondContact N-OD1 2.76Å
403	I	96.5	Very high	97.2	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.015	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-49.5	178.9	-51.4	-57	0	0	0	109.9	F344 K352 M355 L356 K357 E401	F344-I403 HydrophobicContact CB-CD1 4.13Å; F344-I403 HydrophobicContact CB-CG1 4.12Å; F344-I403 HydrophobicContact CB-CG2 4.43Å; F344-I403 HydrophobicContact CD1-CG2 3.92Å; F344-I403 HydrophobicContact CD2-CB 4.35Å; F344-I403 HydrophobicContact CD2-CG1 3.96Å; F344-I403 HydrophobicContact CD2-CG2 4.06Å; F344-I403 HydrophobicContact CE1-CG2 4.13Å; F344-I403 HydrophobicContact CE2-CG2 4.26Å; F344-I403 HydrophobicContact CG-CG1 4.12Å; F344-I403 HydrophobicContact CG-CG2 3.88Å; F344-I403 HydrophobicContact CZ-CG2 4.29Å; K352-I403 HydrophobicContact CB-CG2 3.93Å; K352-I403 HydrophobicContact CD-CG2 3.92Å; K352-I403 VanDerWaalsContact CD-O 3.32Å; K352-I403 WeakPolarHBondContact CD-O 3.25Å; K352-I403 PolarHBondContact NZ-O 3.05Å; M355-I403 HydrophobicContact CB-CD1 3.84Å; L356-I403 WeakPolarHBondContact O-CD1 3.11Å; K357-I403 HydrophobicContact CG-CD1 4.18Å; K357-I403 HydrophobicContact CG-CG1 4.03Å; E401-I403 WeakPolarHBondContact OE2-CA 3.29Å; E401-I403 VanDerWaalsContact OE2-CB 3.29Å; E401-I403 WeakPolarHBondContact OE2-CB 3.45Å; E401-I403 PolarHBondContact OE2-N 2.99Å
404	Q	93.4	Very high	97.2	Very high	85 Å²	85	34.7 Å²	34.7	40%	0.397	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.8	6.2	-176.4	-47.7	-168.4	-93	0	0	113.1	E401 S406	E401-Q404 WeakPolarHBondContact OE1-CA 3.4Å; E401-Q404 WeakPolarHBondContact OE1-CB 3.41Å; E401-Q404 PolarHBondContact OE1-N 2.75Å; E401-Q404 PolarHBondContact OE2-N 2.9Å; Q404-S406 PolarHBondContact O-N 2.91Å; Q404-S406 VanDerWaalsContact O-N 3.13Å
405	G	95.3	Very high	97.1	Very high	49 Å²	49	35.4 Å²	35.4	51%	0.505	20%	0.197	S	C	.	.			trans	64.7	13.5	-175.3	0	0	0	0	0	113.7	T400 E401	T400-G405 WeakPolarHBondContact CG2-O 3.37Å; E401-G405 VanDerWaalsContact O-CA 3.27Å; E401-G405 WeakPolarHBondContact O-CA 3.31Å; E401-G405 PolarHBondContact O-N 3.3Å; E401-G405 PolarHBondContact OE1-N 3.34Å
406	S	94.9	Very high	96.9	Very high	46 Å²	46	34.6 Å²	34.6	32%	0.322	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-79.5	151.5	-171.4	69.6	0	0	0	0	112	T400 E401 Q404	T400-S406 WeakPolarHBondContact CA-O 3.15Å; E401-S406 VanDerWaalsContact CG-OG 3.32Å; E401-S406 WeakPolarHBondContact CG-OG 3.38Å; E401-S406 PolarHBondContact N-O 2.94Å; E401-S406 WeakPolarHBondContact OE1-CB 3.45Å; E401-S406 PolarHBondContact OE1-N 2.79Å; E401-S406 PolarHBondContact OE1-OG 3.23Å; Q404-S406 PolarHBondContact O-N 2.91Å; Q404-S406 VanDerWaalsContact O-N 3.13Å
407	I	97.9	Very high	96.6	Very high	91 Å²	91	35.8 Å²	35.8	47%	0.467	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	120.1	176.9	-52	178.1	0	0	0	109.5	W399 Y409	W399-I407 WeakPolarHBondContact O-CA 3.44Å; I407-Y409 HydrophobicContact CB-CE2 4.07Å; I407-Y409 HydrophobicContact CG2-CD1 4.3Å; I407-Y409 HydrophobicContact CG2-CE1 3.62Å; I407-Y409 HydrophobicContact CG2-CE2 3.88Å; I407-Y409 WeakPolarHBondContact CG2-OH 3.49Å; I407-Y409 WeakPolarHBondContact O-CD2 3.32Å; I407-Y409 WeakPolarHBondContact O-CE2 3.44Å
408	K	98.1	Very high	96.3	Very high	63 Å²	63	36.1 Å²	36.1	27%	0.274	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	153.6	171.5	-67.3	-77.9	-171	146.9	0	110	E339 S398 W399 E401	E339-K408 IonicContact OE1-NZ 2.9Å; E339-K408 PolarHBondContact OE1-NZ 2.7Å; E339-K408 IonicContact OE2-NZ 3.24Å; S398-K408 WeakPolarHBondContact CA-O 3.44Å; S398-K408 WeakPolarHBondContact CB-O 3.15Å; W399-K408 HydrophobicContact CD2-CB 3.74Å; W399-K408 HydrophobicContact CE3-CB 4.19Å; W399-K408 HydrophobicContact CG-CB 4.27Å; W399-K408 HydrophobicContact CH2-CB 4Å; W399-K408 HydrophobicContact CZ2-CB 3.52Å; W399-K408 HydrophobicContact CZ2-CG 4.04Å; W399-K408 HydrophobicContact CZ3-CB 4.3Å; W399-K408 PolarHBondContact N-O 2.92Å; W399-K408 VanDerWaalsContact N-O 3.08Å; W399-K408 PolarHBondContact O-N 3.27Å; E401-K408 HydrophobicContact CB-CG 3.99Å; E401-K408 HydrophobicContact CG-CD 4.4Å; E401-K408 HydrophobicContact CG-CG 3.83Å
409	Y	98.3	Very high	96.1	Very high	85 Å²	85	38.9 Å²	38.9	33%	0.333	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	146.2	-173	-58.8	-83.1	0	0	0	112.8	N335 W395 V397 I407 M411	N335-Y409 PolarHBondContact ND2-O 2.93Å; W395-Y409 HydrophobicContact CB-CD1 3.58Å; W395-Y409 HydrophobicContact CB-CE1 4.4Å; W395-Y409 HydrophobicContact CB-CG 4.23Å; W395-Y409 AromaticContact CD1-CD1 3.53Å; W395-Y409 AromaticContact CD1-CE1 3.45Å; W395-Y409 VanDerWaalsContact CD1-CE1 3.45Å; W395-Y409 AromaticContact CD2-CD1 3.88Å; W395-Y409 HydrophobicContact CD2-CD1 3.88Å; W395-Y409 HydrophobicContact CD2-CE1 4.08Å; W395-Y409 AromaticContact CG-CD1 3.39Å; W395-Y409 HydrophobicContact CG-CD1 3.39Å; W395-Y409 AromaticContact CG-CE1 3.76Å; W395-Y409 HydrophobicContact CG-CE1 3.76Å; W395-Y409 HydrophobicContact CG-CG 4.45Å; W395-Y409 AromaticContact NE1-CE1 3.61Å; V397-Y409 CarbonylContact O-C 3.59Å; V397-Y409 WeakPolarHBondContact O-CA 3.28Å; I407-Y409 HydrophobicContact CB-CE2 4.07Å; I407-Y409 HydrophobicContact CG2-CD1 4.3Å; I407-Y409 HydrophobicContact CG2-CE1 3.62Å; I407-Y409 HydrophobicContact CG2-CE2 3.88Å; I407-Y409 WeakPolarHBondContact CG2-OH 3.49Å; I407-Y409 WeakPolarHBondContact O-CD2 3.32Å; I407-Y409 WeakPolarHBondContact O-CE2 3.44Å; Y409-M411 HydrophobicContact CD1-CE 4.25Å; Y409-M411 HydrophobicContact CD2-CE 4.16Å; Y409-M411 HydrophobicContact CG-CE 3.83Å
410	I	98.5	Very high	95.9	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	126.1	157.6	-55	-172.8	0	0	0	107.8	P208 I333 N335 W395 L396 V397 W399	P208-I410 HydrophobicContact CB-CD1 3.8Å; I333-I410 HydrophobicContact CG2-CG2 3.34Å; N335-I410 WeakPolarHBondContact O-CD1 3.34Å; N335-I410 WeakPolarHBondContact O-CG1 3.48Å; W395-I410 WeakPolarHBondContact CA-O 3.45Å; L396-I410 PolarHBondContact N-O 3.31Å; V397-I410 HydrophobicContact CB-CB 3.91Å; V397-I410 HydrophobicContact CB-CD1 3.85Å; V397-I410 HydrophobicContact CB-CG1 3.88Å; V397-I410 HydrophobicContact CG1-CD1 4.28Å; V397-I410 HydrophobicContact CG2-CB 4.27Å; V397-I410 HydrophobicContact CG2-CD1 4.02Å; V397-I410 HydrophobicContact CG2-CG1 4.43Å; V397-I410 PolarHBondContact O-N 2.69Å; W399-I410 HydrophobicContact CZ3-CD1 4.47Å; W399-I410 HydrophobicContact CZ3-CG1 3.97Å
411	M	97.9	Very high	95.7	Very high	45 Å²	45	37.5 Å²	37.5	22%	0.222	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	167.4	-178.9	-65.5	-173.7	173	0	0	111.1	A334 N335 T394 W395 Y409 K419	A334-M411 VanDerWaalsContact CB-O 3.29Å; A334-M411 WeakPolarHBondContact CB-O 2.9Å; A334-M411 PolarHBondContact N-O 3.24Å; N335-M411 PolarHBondContact OD1-N 2.76Å; T394-M411 WeakPolarHBondContact O-CG 3.47Å; W395-M411 HydrophobicContact CB-CE 3.96Å; W395-M411 HydrophobicContact CB-CG 4.02Å; Y409-M411 HydrophobicContact CD1-CE 4.25Å; Y409-M411 HydrophobicContact CD2-CE 4.16Å; Y409-M411 HydrophobicContact CG-CE 3.83Å; M411-K419 PolarHBondContact SD-NZ 3.44Å
412	L	97.3	Very high	95.5	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-66	154.6	176.1	-56.1	-165.1	0	0	0	113.1	C324 M326 E331 I333 L396 S416 I418 K419	C324-L412 WeakPolarHBondContact SG-CD2 3.5Å; M326-L412 HydrophobicContact CE-CD1 3.82Å; M326-L412 HydrophobicContact CE-CG 4.45Å; M326-L412 HydrophobicContact SD-CD1 3.71Å; E331-L412 HydrophobicContact CB-CD1 3.92Å; E331-L412 HydrophobicContact CG-CD1 4.28Å; I333-L412 HydrophobicContact CG1-CD2 4.2Å; L396-L412 HydrophobicContact CD1-CD2 3.72Å; L396-L412 HydrophobicContact CD1-CG 4.2Å; L396-L412 HydrophobicContact CD2-CD2 3.89Å; L396-L412 HydrophobicContact CG-CD2 4.47Å; L412-S416 WeakPolarHBondContact CB-OG 3.43Å; L412-I418 HydrophobicContact CB-CG2 4.02Å; L412-I418 HydrophobicContact CD1-CG2 3.76Å; L412-I418 HydrophobicContact CG-CG2 4.1Å; L412-K419 WeakPolarHBondContact O-CE 3.29Å
413	N	96.8	Very high	95.4	Very high	21 Å²	21	39.5 Å²	39.5	11%	0.112	21%	0.208	C	C	.	.			trans	-62.6	149.3	-179.8	-166.6	-73.4	0	0	0	111.2	R332 S415 S416 K419	R332-N413 HydrophobicContact CB-CB 3.94Å; R332-N413 HydrophobicContact CG-CB 4.21Å; R332-N413 WeakPolarHBondContact O-CB 3.06Å; R332-N413 PolarHBondContact O-N 3.24Å; N413-S415 PolarHBondContact O-N 3.48Å; N413-S415 PolarHBondContact OD1-N 2.89Å; N413-S415 PolarHBondContact OD1-OG 3.08Å; N413-S416 VanDerWaalsContact O-CB 3.29Å; N413-S416 WeakPolarHBondContact O-CB 3.43Å; N413-S416 PolarHBondContact O-N 3.35Å; N413-S416 PolarHBondContact O-OG 2.94Å; N413-K419 WeakPolarHBondContact O-CG 3.39Å
414	P	95.2	Very high	95.4	Very high	60 Å²	60	41 Å²	41	39%	0.39	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-17.8	175.5	-30.5	37.1	0	0	0	116.9	S416 K734	P414-S416 VanDerWaalsContact C-N 3.31Å; P414-K734 HydrophobicContact CB-CB 4.23Å; P414-K734 HydrophobicContact CB-CD 3.93Å; P414-K734 HydrophobicContact CB-CG 3.81Å
415	S	94	Very high	95.4	Very high	32 Å²	32	40.5 Å²	40.5	22%	0.224	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-18.9	171.7	60.7	0	0	0	0	114.8	N413 E733	N413-S415 PolarHBondContact O-N 3.48Å; N413-S415 PolarHBondContact OD1-N 2.89Å; N413-S415 PolarHBondContact OD1-OG 3.08Å; S415-E733 WeakPolarHBondContact CB-O 3Å
416	S	94.5	Very high	95.5	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.	S	Bend	trans	-72.6	153	-170.1	60.4	0	0	0	0	114	E331 L412 N413 P414 I418 K419 G420	E331-S416 WeakPolarHBondContact OE1-CA 3.45Å; E331-S416 WeakPolarHBondContact OE1-CB 3.47Å; E331-S416 WeakPolarHBondContact OE2-CA 3.43Å; E331-S416 WeakPolarHBondContact OE2-CB 3.32Å; L412-S416 WeakPolarHBondContact CB-OG 3.43Å; N413-S416 VanDerWaalsContact O-CB 3.29Å; N413-S416 WeakPolarHBondContact O-CB 3.43Å; N413-S416 PolarHBondContact O-N 3.35Å; N413-S416 PolarHBondContact O-OG 2.94Å; P414-S416 VanDerWaalsContact C-N 3.31Å; S416-I418 VanDerWaalsContact C-N 3.31Å; S416-I418 PolarHBondContact O-N 2.81Å; S416-K419 PolarHBondContact O-N 3.37Å; S416-K419 VanDerWaalsContact OG-CG 3.3Å; S416-K419 WeakPolarHBondContact OG-CG 3.37Å; S416-G420 PolarHBondContact O-N 2.8Å
417	R	93.1	Very high	95.6	Very high	26 Å²	26	38.6 Å²	38.6	10%	0.098	18%	0.183	C	C	.	.	H	α-helix	trans	-48.7	-52.9	177.7	179.8	177.6	75.3	-165.9	-3.1	111.7	W186 W188 E191 D327 E331 K419 G420 E421	W186-R417 HydrophobicContact CH2-CB 3.59Å; W186-R417 HydrophobicContact CH2-CG 4.25Å; W186-R417 HydrophobicContact CZ2-CB 4.32Å; W186-R417 HydrophobicContact CZ3-CB 3.76Å; W188-R417 HydrophobicContact CB-CB 3.69Å; W188-R417 HydrophobicContact CB-CG 3.57Å; W188-R417 HydrophobicContact CD2-CB 4.03Å; W188-R417 HydrophobicContact CD2-CG 3.93Å; W188-R417 HydrophobicContact CE3-CG 4.07Å; W188-R417 HydrophobicContact CG-CB 3.56Å; W188-R417 HydrophobicContact CG-CG 3.72Å; E191-R417 IonicContact OE2-NH1 2.71Å; E191-R417 PolarHBondContact OE2-NH1 2.78Å; D327-R417 IonicContact OD2-CZ 3.88Å; D327-R417 IonicContact OD2-NH2 3.75Å; D327-R417 PolarHBondContact OD2-NH2 3.44Å; E331-R417 PolarHBondContact OE1-N 3.2Å; R417-K419 PolarHBondContact O-N 2.96Å; R417-G420 PolarHBondContact O-N 3.11Å; R417-E421 VanDerWaalsContact O-CB 3.24Å; R417-E421 WeakPolarHBondContact O-CB 3.44Å; R417-E421 PolarHBondContact O-N 3.34Å
418	I	92.3	Very high	95.6	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.041	17%	0.171	C	C	.	.	H	α-helix	trans	-64.5	-16.5	-174.7	-155.9	164	0	0	0	114.4	K199 M326 T394 L412 S416	K199-I418 HydrophobicContact CB-CD1 4.03Å; M326-I418 HydrophobicContact CE-CD1 4.16Å; M326-I418 HydrophobicContact SD-CB 4.47Å; M326-I418 HydrophobicContact SD-CD1 3.95Å; T394-I418 HydrophobicContact CG2-CD1 3.58Å; T394-I418 HydrophobicContact CG2-CG1 3.84Å; L412-I418 HydrophobicContact CB-CG2 4.02Å; L412-I418 HydrophobicContact CD1-CG2 3.76Å; L412-I418 HydrophobicContact CG-CG2 4.1Å; S416-I418 VanDerWaalsContact C-N 3.31Å; S416-I418 PolarHBondContact O-N 2.81Å
419	K	94.3	Very high	95.6	Very high	61 Å²	61	34.4 Å²	34.4	27%	0.265	17%	0.165	S	C	.	.	H	α-helix	trans	-100.1	-46.7	173.8	-65.5	-61.6	-173.2	178.7	0	111.5	M411 L412 N413 S416 R417 K422 D423	M411-K419 PolarHBondContact SD-NZ 3.44Å; L412-K419 WeakPolarHBondContact O-CE 3.29Å; N413-K419 WeakPolarHBondContact O-CG 3.39Å; S416-K419 PolarHBondContact O-N 3.37Å; S416-K419 VanDerWaalsContact OG-CG 3.3Å; S416-K419 WeakPolarHBondContact OG-CG 3.37Å; R417-K419 PolarHBondContact O-N 2.96Å; K419-K422 PolarHBondContact O-N 3.49Å; K419-D423 WeakPolarHBondContact O-CB 3.42Å; K419-D423 PolarHBondContact O-N 2.83Å
420	G	94.6	Very high	95.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-62.4	-45.2	-179.8	0	0	0	0	0	112.5	S416 R417 K422 D423 W424	S416-G420 PolarHBondContact O-N 2.8Å; R417-G420 PolarHBondContact O-N 3.11Å; G420-K422 PolarHBondContact O-N 3.32Å; G420-D423 PolarHBondContact O-N 2.98Å; G420-D423 VanDerWaalsContact O-N 3.13Å; G420-W424 WeakPolarHBondContact O-CB 3.49Å; G420-W424 PolarHBondContact O-N 3.47Å
421	E	93.1	Very high	95.5	Very high	33 Å²	33	33.2 Å²	33.2	15%	0.154	16%	0.159	C	C	.	.	H	α-helix	trans	-61.5	-43.5	178.2	-164.3	-150.4	172.5	0	0	111.3	W188 R193 R417 D423 W424 Q425	W188-E421 HydrophobicContact CE3-CB 4.27Å; W188-E421 VanDerWaalsContact CH2-N 3.33Å; W188-E421 HydrophobicContact CZ3-CB 3.88Å; W188-E421 HydrophobicContact CZ3-CG 4.37Å; R193-E421 VanDerWaalsContact CD-OE1 3.25Å; R193-E421 WeakPolarHBondContact CD-OE1 3.4Å; R193-E421 WeakPolarHBondContact CG-OE1 3.39Å; R193-E421 IonicContact NE-OE1 3.81Å; R417-E421 VanDerWaalsContact O-CB 3.24Å; R417-E421 WeakPolarHBondContact O-CB 3.44Å; R417-E421 PolarHBondContact O-N 3.34Å; E421-D423 VanDerWaalsContact C-N 3.32Å; E421-D423 PolarHBondContact O-N 3.5Å; E421-W424 HydrophobicContact CG-CE3 4.43Å; E421-W424 PolarHBondContact O-N 2.83Å; E421-Q425 VanDerWaalsContact CD-NE2 3.3Å; E421-Q425 WeakPolarHBondContact O-CB 3.49Å; E421-Q425 VanDerWaalsContact O-CG 3.28Å; E421-Q425 WeakPolarHBondContact O-CG 3.22Å; E421-Q425 PolarHBondContact O-N 2.85Å; E421-Q425 PolarHBondContact OE1-NE2 3.32Å
422	K	92.7	Very high	95.5	Very high	93 Å²	93	36 Å²	36	40%	0.404	17%	0.167	S	C	.	.	H	α-helix	trans	-65.9	-34.2	175.6	-67.8	-172.4	179.4	-171.8	0	112.6	T394 K419 G420 K426	T394-K422 VanDerWaalsContact CG2-NZ 3.31Å; K419-K422 PolarHBondContact O-N 3.49Å; G420-K422 PolarHBondContact O-N 3.32Å; K422-K426 VanDerWaalsContact O-CB 3.3Å; K422-K426 WeakPolarHBondContact O-CB 3.35Å; K422-K426 PolarHBondContact O-N 2.72Å; K422-K426 VanDerWaalsContact O-N 3.09Å
423	D	95.4	Very high	95.5	Very high	24 Å²	24	35.9 Å²	35.9	13%	0.128	17%	0.167	C	C	.	.	H	α-helix	trans	-70.8	-37.8	175.5	-147.8	50	0	0	0	111	K419 G420 E421 K426 Y427 K734	K419-D423 WeakPolarHBondContact O-CB 3.42Å; K419-D423 PolarHBondContact O-N 2.83Å; G420-D423 PolarHBondContact O-N 2.98Å; G420-D423 VanDerWaalsContact O-N 3.13Å; E421-D423 VanDerWaalsContact C-N 3.32Å; E421-D423 PolarHBondContact O-N 3.5Å; D423-K426 WeakPolarHBondContact O-CB 3.35Å; D423-K426 WeakPolarHBondContact O-CE 3.44Å; D423-K426 IonicContact OD1-NZ 2.82Å; D423-K426 PolarHBondContact OD1-NZ 2.95Å; D423-K426 IonicContact OD2-NZ 3.44Å; D423-Y427 WeakPolarHBondContact O-CD2 3.11Å; D423-Y427 WeakPolarHBondContact O-CE2 3.25Å; D423-Y427 PolarHBondContact O-N 3.28Å; D423-K734 IonicContact OD1-NZ 3.9Å; D423-K734 WeakPolarHBondContact OD2-CE 3.46Å; D423-K734 IonicContact OD2-NZ 2.73Å; D423-K734 PolarHBondContact OD2-NZ 2.82Å
424	W	95.7	Very high	95.5	Very high	36 Å²	36	37.6 Å²	37.6	14%	0.136	17%	0.173	C	C	.	.	H	α-helix	trans	-65.2	-52.1	172.2	173.2	34.1	0	0	0	112.4	W188 R193 G420 E421 K426 Y427 E428 W737 M741	W188-W424 HydrophobicContact CZ3-CE3 4.2Å; R193-W424 VanDerWaalsContact NH2-CZ2 3.31Å; G420-W424 WeakPolarHBondContact O-CB 3.49Å; G420-W424 PolarHBondContact O-N 3.47Å; E421-W424 HydrophobicContact CG-CE3 4.43Å; E421-W424 PolarHBondContact O-N 2.83Å; W424-K426 PolarHBondContact O-N 3.45Å; W424-Y427 WeakPolarHBondContact O-CA 3.47Å; W424-Y427 PolarHBondContact O-N 2.94Å; W424-E428 PolarHBondContact NE1-OE1 3.45Å; W424-E428 VanDerWaalsContact NE1-OE1 3.13Å; W424-E428 PolarHBondContact O-N 2.8Å; W424-W737 HydrophobicContact CB-CD2 4.43Å; W424-W737 HydrophobicContact CB-CE3 4.14Å; W424-W737 HydrophobicContact CB-CH2 3.94Å; W424-W737 HydrophobicContact CB-CZ2 4.2Å; W424-W737 HydrophobicContact CB-CZ3 3.89Å; W424-W737 AromaticContact CD1-CZ3 3.59Å; W424-W737 HydrophobicContact CG-CE3 4.15Å; W424-W737 HydrophobicContact CG-CH2 4.31Å; W424-W737 AromaticContact CG-CZ3 3.85Å; W424-W737 HydrophobicContact CG-CZ3 3.85Å; W424-M741 HydrophobicContact CZ2-CE 4.03Å
425	Q	94.2	Very high	95.5	Very high	73 Å²	73	43.8 Å²	43.8	34%	0.341	19%	0.194	S	C	.	.	H	α-helix	trans	-57.7	-33.7	177	-71.8	178.1	5.9	0	0	112.7	E421 T429	E421-Q425 VanDerWaalsContact CD-NE2 3.3Å; E421-Q425 WeakPolarHBondContact O-CB 3.49Å; E421-Q425 VanDerWaalsContact O-CG 3.28Å; E421-Q425 WeakPolarHBondContact O-CG 3.22Å; E421-Q425 PolarHBondContact O-N 2.85Å; E421-Q425 PolarHBondContact OE1-NE2 3.32Å; Q425-T429 WeakPolarHBondContact O-CB 3.47Å; Q425-T429 PolarHBondContact O-N 3.35Å; Q425-T429 PolarHBondContact O-OG1 3.13Å
426	K	96.4	Very high	95.6	Very high	55 Å²	55	43.3 Å²	43.3	24%	0.239	19%	0.191	C	C	.	.	H	α-helix	trans	-61.1	-44.9	171.5	172	-151.3	71.9	-175.5	0	111.3	K422 D423 W424 T429 A430 T574 N705	K422-K426 VanDerWaalsContact O-CB 3.3Å; K422-K426 WeakPolarHBondContact O-CB 3.35Å; K422-K426 PolarHBondContact O-N 2.72Å; K422-K426 VanDerWaalsContact O-N 3.09Å; D423-K426 WeakPolarHBondContact O-CB 3.35Å; D423-K426 WeakPolarHBondContact O-CE 3.44Å; D423-K426 IonicContact OD1-NZ 2.82Å; D423-K426 PolarHBondContact OD1-NZ 2.95Å; D423-K426 IonicContact OD2-NZ 3.44Å; W424-K426 PolarHBondContact O-N 3.45Å; K426-T429 PolarHBondContact O-N 2.86Å; K426-A430 PolarHBondContact O-N 3.17Å; K426-T574 HydrophobicContact CD-CG2 4.45Å; K426-T574 HydrophobicContact CG-CG2 4.41Å; K426-N705 PolarHBondContact NZ-O 3.42Å
427	Y	97.9	Very high	95.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-69.3	-43.9	175.7	-64.7	-62.3	0	0	0	112.1	D423 W424 T429 A430 R431 T574 L707 D708 P709 W737	D423-Y427 WeakPolarHBondContact O-CD2 3.11Å; D423-Y427 WeakPolarHBondContact O-CE2 3.25Å; D423-Y427 PolarHBondContact O-N 3.28Å; W424-Y427 WeakPolarHBondContact O-CA 3.47Å; W424-Y427 PolarHBondContact O-N 2.94Å; Y427-T429 PolarHBondContact O-N 3.02Å; Y427-A430 CarbonylContact O-C 3.54Å; Y427-A430 WeakPolarHBondContact O-CA 3.46Å; Y427-A430 WeakPolarHBondContact O-CB 3.49Å; Y427-A430 PolarHBondContact O-N 3.2Å; Y427-R431 WeakPolarHBondContact O-CG 3.31Å; Y427-R431 PolarHBondContact O-N 3.24Å; Y427-T574 HydrophobicContact CD1-CG2 3.71Å; Y427-T574 HydrophobicContact CE1-CG2 3.78Å; Y427-L707 VanDerWaalsContact CE1-O 3.3Å; Y427-L707 WeakPolarHBondContact CE1-O 3.44Å; Y427-L707 PolarHBondContact OH-O 2.78Å; Y427-D708 HydrophobicContact CD1-CB 3.64Å; Y427-D708 HydrophobicContact CE1-CB 4.05Å; Y427-D708 HydrophobicContact CG-CB 3.93Å; Y427-P709 VanDerWaalsContact CE2-CD 3.47Å; Y427-P709 HydrophobicContact CE2-CG 4.44Å; Y427-W737 AromaticContact CD2-CH2 3.98Å; Y427-W737 HydrophobicContact CD2-CH2 3.98Å; Y427-W737 HydrophobicContact CD2-CZ2 4.23Å; Y427-W737 HydrophobicContact CE2-CZ2 4.36Å
428	E	97.1	Very high	95.9	Very high	45 Å²	45	47.2 Å²	47.2	21%	0.21	21%	0.213	C	C	.	.	H	α-helix	trans	-59	-33.9	174.6	-66.7	-51.9	143.1	0	0	112.7	W424 A430 R431 R432 R710	W424-E428 PolarHBondContact NE1-OE1 3.45Å; W424-E428 VanDerWaalsContact NE1-OE1 3.13Å; W424-E428 PolarHBondContact O-N 2.8Å; E428-A430 VanDerWaalsContact C-N 3.34Å; E428-R431 PolarHBondContact O-N 3.09Å; E428-R431 IonicContact OE1-NH1 2.7Å; E428-R431 PolarHBondContact OE1-NH1 3.39Å; E428-R431 IonicContact OE2-CZ 3.51Å; E428-R431 IonicContact OE2-NH1 3.78Å; E428-R431 PolarHBondContact OE2-NH1 2.89Å; E428-R432 WeakPolarHBondContact O-CG 3.41Å; E428-R432 PolarHBondContact O-N 3.28Å; E428-R710 IonicContact OE1-CZ 2.66Å; E428-R710 IonicContact OE1-NH1 2.7Å; E428-R710 PolarHBondContact OE1-NH1 2.86Å; E428-R710 IonicContact OE1-NH2 3.79Å; E428-R710 PolarHBondContact OE1-NH2 2.95Å
429	T	97.3	Very high	96.1	Very high	22 Å²	22	53.4 Å²	53.4	14%	0.135	24%	0.236	C	C	.	.	H	α-helix	trans	-68.7	-33	173.7	-60.3	0	0	0	0	112.2	Q425 K426 Y427 R432 L433 M564 V571	Q425-T429 WeakPolarHBondContact O-CB 3.47Å; Q425-T429 PolarHBondContact O-N 3.35Å; Q425-T429 PolarHBondContact O-OG1 3.13Å; K426-T429 PolarHBondContact O-N 2.86Å; Y427-T429 PolarHBondContact O-N 3.02Å; T429-R432 PolarHBondContact OG1-NH2 2.95Å; T429-L433 PolarHBondContact O-N 3.26Å; T429-L433 VanDerWaalsContact O-N 3.1Å; T429-M564 HydrophobicContact CG2-CE 3.93Å; T429-M564 WeakPolarHBondContact O-CE 3.3Å; T429-V571 HydrophobicContact CG2-CG1 4.19Å; T429-V571 HydrophobicContact CG2-CG2 4.08Å
430	A	98.1	Very high	96.2	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-72	-31.5	171.3	0	0	0	0	0	112.9	K426 Y427 E428 L433 K434 V571 T574 F748	K426-A430 PolarHBondContact O-N 3.17Å; Y427-A430 CarbonylContact O-C 3.54Å; Y427-A430 WeakPolarHBondContact O-CA 3.46Å; Y427-A430 WeakPolarHBondContact O-CB 3.49Å; Y427-A430 PolarHBondContact O-N 3.2Å; E428-A430 VanDerWaalsContact C-N 3.34Å; A430-L433 WeakPolarHBondContact O-CB 3.24Å; A430-L433 PolarHBondContact O-N 2.86Å; A430-K434 PolarHBondContact O-N 3.3Å; A430-K434 VanDerWaalsContact O-N 3.08Å; A430-V571 HydrophobicContact CB-CG1 4.12Å; A430-T574 HydrophobicContact CB-CG2 4.04Å; A430-F748 HydrophobicContact CB-CE2 4.16Å; A430-F748 HydrophobicContact CB-CZ 3.75Å
431	R	97.9	Very high	96.3	Very high	61 Å²	61	52.5 Å²	52.5	23%	0.23	23%	0.231	C	C	.	.	H	α-helix	trans	-71.1	-37.1	171.5	-61.9	178.1	73.4	-152.1	17	112.5	Y427 E428 L433 K434 K435 Y746 E747 F748	Y427-R431 WeakPolarHBondContact O-CG 3.31Å; Y427-R431 PolarHBondContact O-N 3.24Å; E428-R431 PolarHBondContact O-N 3.09Å; E428-R431 IonicContact OE1-NH1 2.7Å; E428-R431 PolarHBondContact OE1-NH1 3.39Å; E428-R431 IonicContact OE2-CZ 3.51Å; E428-R431 IonicContact OE2-NH1 3.78Å; E428-R431 PolarHBondContact OE2-NH1 2.89Å; R431-L433 VanDerWaalsContact C-N 3.29Å; R431-L433 PolarHBondContact O-N 3.49Å; R431-K434 WeakPolarHBondContact O-CB 3.35Å; R431-K434 PolarHBondContact O-N 3.01Å; R431-K435 PolarHBondContact O-N 3.43Å; R431-Y746 WeakPolarHBondContact CD-OH 3.43Å; R431-Y746 PolarHBondContact NE-OH 2.83Å; R431-E747 PolarHBondContact NH2-O 2.9Å; R431-F748 HydrophobicContact CG-CD2 3.41Å; R431-F748 VanDerWaalsContact CG-CD2 3.41Å; R431-F748 HydrophobicContact CG-CE2 3.44Å; R431-F748 VanDerWaalsContact CG-CE2 3.44Å; R431-F748 HydrophobicContact CG-CG 4.05Å; R431-F748 HydrophobicContact CG-CZ 4.09Å; R431-F748 VanDerWaalsContact CG-O 3.29Å; R431-F748 WeakPolarHBondContact CG-O 3.37Å; R431-F748 PolarHBondContact NE-O 2.84Å
432	R	97.6	Very high	96.6	Very high	104 Å²	104	54 Å²	54	39%	0.392	25%	0.249	S	C	.	.	H	α-helix	trans	-60.9	-39.6	169.4	-71.9	-172.3	-61.7	130.3	5.2	111.1	E428 T429 K435 M564 D565	E428-R432 WeakPolarHBondContact O-CG 3.41Å; E428-R432 PolarHBondContact O-N 3.28Å; T429-R432 PolarHBondContact OG1-NH2 2.95Å; R432-K435 PolarHBondContact O-N 3.18Å; R432-M564 VanDerWaalsContact C-SD 3.57Å; R432-M564 HydrophobicContact CB-CE 3.91Å; R432-M564 HydrophobicContact CB-SD 3.76Å; R432-D565 PolarHBondContact NH1-O 3.25Å; R432-D565 PolarHBondContact NH2-O 3.3Å
433	L	97.4	Very high	96.8	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-43.8	172.5	178.5	60.2	0	0	0	112.1	T429 A430 R431 K435 C436 V437 L440 M564 L567 V571 F572 Y575	T429-L433 PolarHBondContact O-N 3.26Å; T429-L433 VanDerWaalsContact O-N 3.1Å; A430-L433 WeakPolarHBondContact O-CB 3.24Å; A430-L433 PolarHBondContact O-N 2.86Å; R431-L433 VanDerWaalsContact C-N 3.29Å; R431-L433 PolarHBondContact O-N 3.49Å; L433-K435 PolarHBondContact O-N 3.18Å; L433-K435 VanDerWaalsContact O-N 3.11Å; L433-C436 CarbonylContact O-C 3.55Å; L433-C436 PolarHBondContact O-N 3.09Å; L433-C436 PolarHBondContact O-SG 2.74Å; L433-V437 HydrophobicContact CD1-CB 4.08Å; L433-V437 HydrophobicContact CD1-CG2 4.24Å; L433-V437 HydrophobicContact CG-CB 4.29Å; L433-V437 HydrophobicContact CG-CG2 4.45Å; L433-V437 WeakPolarHBondContact O-CB 3.43Å; L433-V437 PolarHBondContact O-N 3.07Å; L433-L440 HydrophobicContact CD1-CD2 4.46Å; L433-M564 HydrophobicContact CB-CE 4.26Å; L433-L567 HydrophobicContact CB-CD1 4.34Å; L433-L567 HydrophobicContact CD1-CD1 3.9Å; L433-L567 HydrophobicContact CD1-CD2 4.22Å; L433-L567 HydrophobicContact CD2-CD1 3.92Å; L433-L567 HydrophobicContact CG-CD1 4.27Å; L433-V571 HydrophobicContact CB-CG1 4.27Å; L433-V571 HydrophobicContact CD2-CG1 3.94Å; L433-F572 HydrophobicContact CD1-CE1 4.28Å; L433-F572 HydrophobicContact CD1-CZ 4.07Å; L433-F572 HydrophobicContact CD2-CD1 3.96Å; L433-F572 HydrophobicContact CD2-CD2 4.17Å; L433-F572 HydrophobicContact CD2-CE1 4.03Å; L433-F572 HydrophobicContact CD2-CE2 4.23Å; L433-F572 HydrophobicContact CD2-CG 4.03Å; L433-F572 HydrophobicContact CD2-CZ 4.16Å; L433-Y575 HydrophobicContact CD2-CD1 4.12Å; L433-Y575 HydrophobicContact CD2-CG 4.03Å; L433-Y575 HydrophobicContact CG-CD1 4.49Å; L433-Y575 HydrophobicContact CG-CG 4.35Å
434	K	96.6	Very high	96.9	Very high	56 Å²	56	52.8 Å²	52.8	24%	0.243	24%	0.244	C	C	.	.	H	α-helix	trans	-49.1	-40.7	175.6	-175.9	-177.5	173.9	-168.4	0	112.6	A430 R431 C436 Y575 I579 E747 F748	A430-K434 PolarHBondContact O-N 3.3Å; A430-K434 VanDerWaalsContact O-N 3.08Å; R431-K434 WeakPolarHBondContact O-CB 3.35Å; R431-K434 PolarHBondContact O-N 3.01Å; K434-C436 VanDerWaalsContact C-N 3.3Å; K434-C436 PolarHBondContact O-N 3.32Å; K434-Y575 HydrophobicContact CB-CD2 4.1Å; K434-Y575 HydrophobicContact CB-CE2 3.59Å; K434-Y575 HydrophobicContact CG-CE2 3.93Å; K434-I579 HydrophobicContact CD-CD1 4.34Å; K434-E747 IonicContact NZ-OE1 3.65Å; K434-E747 PolarHBondContact NZ-OE1 3.33Å; K434-F748 WeakPolarHBondContact CD-OXT 3.44Å; K434-F748 WeakPolarHBondContact CE-OXT 3.37Å; K434-F748 PolarHBondContact NZ-OXT 3.15Å
435	K	95.4	Very high	97	Very high	190 Å²	190	56.4 Å²	56.4	83%	0.826	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-16.2	-178.6	-62.7	-173.9	179	-172	0	114.7	R431 R432 L433	R431-K435 PolarHBondContact O-N 3.43Å; R432-K435 PolarHBondContact O-N 3.18Å; L433-K435 PolarHBondContact O-N 3.18Å; L433-K435 VanDerWaalsContact O-N 3.11Å
436	C	95.2	Very high	97.2	Very high	23 Å²	23	57.8 Å²	57.8	16%	0.155	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.8	-6	-176.4	68.2	0	0	0	0	114.8	L433 K434 D438 R439 L440 M564	L433-C436 CarbonylContact O-C 3.55Å; L433-C436 PolarHBondContact O-N 3.09Å; L433-C436 PolarHBondContact O-SG 2.74Å; K434-C436 VanDerWaalsContact C-N 3.3Å; K434-C436 PolarHBondContact O-N 3.32Å; C436-D438 VanDerWaalsContact C-N 3.26Å; C436-D438 PolarHBondContact O-N 3.31Å; C436-D438 VanDerWaalsContact O-N 3.16Å; C436-R439 WeakPolarHBondContact O-CB 3.39Å; C436-R439 PolarHBondContact O-N 2.86Å; C436-L440 HydrophobicContact CB-CD1 4.16Å; C436-L440 WeakPolarHBondContact O-CD1 3.42Å; C436-L440 PolarHBondContact O-N 3.3Å; C436-M564 VanDerWaalsContact SG-SD 3.68Å
437	V	96.6	Very high	97.3	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.006	26%	0.256	C	S	.	.	H	α-helix	trans	-55.9	-37.4	-171.5	68.1	0	0	0	0	113	L433 R439 L440 R441 F572 Y575	L433-V437 HydrophobicContact CD1-CB 4.08Å; L433-V437 HydrophobicContact CD1-CG2 4.24Å; L433-V437 HydrophobicContact CG-CB 4.29Å; L433-V437 HydrophobicContact CG-CG2 4.45Å; L433-V437 WeakPolarHBondContact O-CB 3.43Å; L433-V437 PolarHBondContact O-N 3.07Å; V437-R439 VanDerWaalsContact C-N 3.34Å; V437-R439 PolarHBondContact O-N 2.9Å; V437-L440 CarbonylContact O-C 3.53Å; V437-L440 WeakPolarHBondContact O-CB 3.26Å; V437-L440 PolarHBondContact O-N 3.34Å; V437-L440 VanDerWaalsContact O-N 3.12Å; V437-R441 HydrophobicContact CG2-CG 4.45Å; V437-R441 VanDerWaalsContact O-CG 3.3Å; V437-R441 WeakPolarHBondContact O-CG 3.33Å; V437-R441 PolarHBondContact O-N 2.92Å; V437-F572 HydrophobicContact CG2-CE1 4.37Å; V437-Y575 HydrophobicContact CB-CE1 4.5Å; V437-Y575 HydrophobicContact CG1-CE1 4.36Å; V437-Y575 HydrophobicContact CG2-CE1 4.08Å
438	D	97.1	Very high	97.3	Very high	106 Å²	106	56.2 Å²	56.2	57%	0.567	26%	0.258	S	S	*	.	H	α-helix	trans	-74.1	-24.5	-178.7	-60.6	-41.7	0	0	0	113	C436 R441 A442	C436-D438 VanDerWaalsContact C-N 3.26Å; C436-D438 PolarHBondContact O-N 3.31Å; C436-D438 VanDerWaalsContact O-N 3.16Å; D438-R441 PolarHBondContact O-N 3.27Å; D438-R441 WeakPolarHBondContact OD1-CD 3.4Å; D438-R441 IonicContact OD1-CZ 2.65Å; D438-R441 IonicContact OD1-NE 3.57Å; D438-R441 IonicContact OD1-NH1 2.7Å; D438-R441 PolarHBondContact OD1-NH1 3.43Å; D438-A442 WeakPolarHBondContact O-CB 3.21Å; D438-A442 PolarHBondContact O-N 3.06Å
439	R	96.7	Very high	97.3	Very high	138 Å²	138	59.2 Å²	59.2	52%	0.521	27%	0.27	S	S	.	.	H	α-helix	trans	-66.6	-42.6	165.4	-179.1	-178.9	63.9	87.5	-2.5	110.9	C436 V437 R441 A442 Q443 L563	C436-R439 WeakPolarHBondContact O-CB 3.39Å; C436-R439 PolarHBondContact O-N 2.86Å; V437-R439 VanDerWaalsContact C-N 3.34Å; V437-R439 PolarHBondContact O-N 2.9Å; R439-R441 VanDerWaalsContact C-N 3.32Å; R439-R441 PolarHBondContact O-N 3.47Å; R439-A442 PolarHBondContact O-N 2.83Å; R439-Q443 PolarHBondContact O-N 3.23Å; R439-L563 PolarHBondContact NH2-O 3.01Å
440	L	96.2	Very high	97.4	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-65.1	-36.7	175.6	-78.7	84.1	0	0	0	111.7	L433 C436 V437 Q443 Y444 L560 L563 L567 F572	L433-L440 HydrophobicContact CD1-CD2 4.46Å; C436-L440 HydrophobicContact CB-CD1 4.16Å; C436-L440 WeakPolarHBondContact O-CD1 3.42Å; C436-L440 PolarHBondContact O-N 3.3Å; V437-L440 CarbonylContact O-C 3.53Å; V437-L440 WeakPolarHBondContact O-CB 3.26Å; V437-L440 PolarHBondContact O-N 3.34Å; V437-L440 VanDerWaalsContact O-N 3.12Å; L440-Q443 PolarHBondContact O-N 3.1Å; L440-Y444 VanDerWaalsContact O-CD1 3.25Å; L440-Y444 WeakPolarHBondContact O-CD1 3.25Å; L440-Y444 PolarHBondContact O-N 2.69Å; L440-L560 HydrophobicContact CD2-CD2 4.38Å; L440-L563 HydrophobicContact CD2-CB 4.05Å; L440-L563 HydrophobicContact CD2-CD1 3.81Å; L440-L563 HydrophobicContact CG-CB 4.32Å; L440-L563 HydrophobicContact CG-CD1 4.05Å; L440-L567 HydrophobicContact CD2-CD2 3.47Å; L440-L567 VanDerWaalsContact CD2-CD2 3.47Å; L440-F572 HydrophobicContact CD2-CZ 4.13Å
441	R	98.2	Very high	97.3	Very high	41 Å²	41	69.7 Å²	69.7	16%	0.155	32%	0.317	C	S	.	.	H	α-helix	trans	-67.3	-40.3	175.6	-70.2	163.4	168.6	163.9	3.4	112.7	V437 D438 R439 Y444 R445 D466	V437-R441 HydrophobicContact CG2-CG 4.45Å; V437-R441 VanDerWaalsContact O-CG 3.3Å; V437-R441 WeakPolarHBondContact O-CG 3.33Å; V437-R441 PolarHBondContact O-N 2.92Å; D438-R441 PolarHBondContact O-N 3.27Å; D438-R441 WeakPolarHBondContact OD1-CD 3.4Å; D438-R441 IonicContact OD1-CZ 2.65Å; D438-R441 IonicContact OD1-NE 3.57Å; D438-R441 IonicContact OD1-NH1 2.7Å; D438-R441 PolarHBondContact OD1-NH1 3.43Å; R439-R441 VanDerWaalsContact C-N 3.32Å; R439-R441 PolarHBondContact O-N 3.47Å; R441-Y444 HydrophobicContact CB-CE1 4.06Å; R441-Y444 HydrophobicContact CG-CE1 3.65Å; R441-R445 VanDerWaalsContact O-CB 3.31Å; R441-R445 WeakPolarHBondContact O-CB 3.48Å; R441-R445 WeakPolarHBondContact O-CD 3.48Å; R441-R445 VanDerWaalsContact O-CG 3.24Å; R441-R445 WeakPolarHBondContact O-CG 3.14Å; R441-R445 PolarHBondContact O-N 2.73Å; R441-D466 IonicContact CZ-OD1 3.17Å; R441-D466 IonicContact CZ-OD2 2.69Å; R441-D466 IonicContact NE-OD1 2.75Å; R441-D466 PolarHBondContact NE-OD1 3.06Å; R441-D466 IonicContact NE-OD2 2.76Å; R441-D466 PolarHBondContact NE-OD2 3.01Å; R441-D466 IonicContact NH2-OD1 3.87Å; R441-D466 PolarHBondContact NH2-OD1 2.73Å; R441-D466 IonicContact NH2-OD2 3.39Å; R441-D466 PolarHBondContact NH2-OD2 2.71Å
442	A	98	Very high	97.3	Very high	63 Å²	63	72.1 Å²	72.1	52%	0.521	33%	0.331	S	S	.	.	H	α-helix	trans	-61.5	-46.2	171.1	0	0	0	0	0	111.1	D438 R439 R445 E446	D438-A442 WeakPolarHBondContact O-CB 3.21Å; D438-A442 PolarHBondContact O-N 3.06Å; R439-A442 PolarHBondContact O-N 2.83Å; A442-R445 PolarHBondContact O-N 2.83Å; A442-E446 PolarHBondContact O-N 3.15Å
443	Q	97.1	Very high	97.3	Very high	88 Å²	88	70 Å²	70	41%	0.411	33%	0.326	S	S	.	.	H	α-helix	trans	-60.7	-53	178.8	-173.7	62.4	56.1	0	0	112.3	R439 L440 R445 E446 D447	R439-Q443 PolarHBondContact O-N 3.23Å; L440-Q443 PolarHBondContact O-N 3.1Å; Q443-R445 PolarHBondContact O-N 3.18Å; Q443-E446 PolarHBondContact O-N 3.46Å; Q443-D447 PolarHBondContact NE2-OD1 3.05Å; Q443-D447 PolarHBondContact O-N 3.37Å
444	Y	97.8	Very high	97.3	Very high	4 Å²	4	75.8 Å²	75.8	2%	0.016	35%	0.348	C	S	.	.	H	α-helix	trans	-66.4	-28.6	-176.9	76	-126.1	0	0	0	112.3	L440 R441 E446 D447 W448 L462 Y463 D466	L440-Y444 VanDerWaalsContact O-CD1 3.25Å; L440-Y444 WeakPolarHBondContact O-CD1 3.25Å; L440-Y444 PolarHBondContact O-N 2.69Å; R441-Y444 HydrophobicContact CB-CE1 4.06Å; R441-Y444 HydrophobicContact CG-CE1 3.65Å; Y444-E446 VanDerWaalsContact C-N 3.31Å; Y444-E446 PolarHBondContact O-N 3.06Å; Y444-D447 PolarHBondContact O-N 3.25Å; Y444-W448 AromaticContact CD2-CE2 3.88Å; Y444-W448 AromaticContact CD2-CZ2 3.68Å; Y444-W448 HydrophobicContact CD2-CZ2 3.68Å; Y444-W448 AromaticContact CD2-NE1 3.94Å; Y444-W448 HydrophobicContact CE2-CH2 4.19Å; Y444-W448 AromaticContact CE2-CZ2 3.57Å; Y444-W448 HydrophobicContact CE2-CZ2 3.57Å; Y444-W448 PolarHBondContact O-N 2.73Å; Y444-W448 PolarHBondContact O-NE1 3.31Å; Y444-L462 HydrophobicContact CD1-CD2 4.02Å; Y444-L462 HydrophobicContact CD1-CG 3.99Å; Y444-Y463 AromaticContact CE2-CD2 3.79Å; Y444-Y463 HydrophobicContact CE2-CD2 3.79Å; Y444-Y463 HydrophobicContact CE2-CG 4.3Å; Y444-D466 HydrophobicContact CE1-CB 4.28Å; Y444-D466 PolarHBondContact OH-OD2 3.05Å
445	R	98.4	Very high	97.4	Very high	112 Å²	112	74.7 Å²	74.7	42%	0.423	34%	0.344	S	S	.	.	H	α-helix	trans	-66.9	-30.5	173.8	-81.5	175	160.7	169	-4.6	112.9	R441 A442 Q443 W448 E527	R441-R445 VanDerWaalsContact O-CB 3.31Å; R441-R445 WeakPolarHBondContact O-CB 3.48Å; R441-R445 WeakPolarHBondContact O-CD 3.48Å; R441-R445 VanDerWaalsContact O-CG 3.24Å; R441-R445 WeakPolarHBondContact O-CG 3.14Å; R441-R445 PolarHBondContact O-N 2.73Å; A442-R445 PolarHBondContact O-N 2.83Å; Q443-R445 PolarHBondContact O-N 3.18Å; R445-W448 HydrophobicContact CB-CE3 4.34Å; R445-W448 HydrophobicContact CB-CZ3 4.29Å; R445-W448 HydrophobicContact CG-CE3 4.18Å; R445-W448 HydrophobicContact CG-CH2 3.67Å; R445-W448 HydrophobicContact CG-CZ2 4.18Å; R445-W448 HydrophobicContact CG-CZ3 3.67Å; R445-E527 IonicContact CZ-OE1 3.85Å; R445-E527 VanDerWaalsContact CZ-OE1 3.3Å; R445-E527 IonicContact CZ-OE2 3.03Å; R445-E527 IonicContact NE-OE1 2.9Å; R445-E527 PolarHBondContact NE-OE1 2.87Å; R445-E527 IonicContact NE-OE2 3.29Å; R445-E527 PolarHBondContact NE-OE2 2.92Å; R445-E527 IonicContact NH2-OE1 3.85Å; R445-E527 PolarHBondContact NH2-OE1 3.13Å; R445-E527 IonicContact NH2-OE2 3.27Å
446	E	98.1	Very high	97.6	Very high	102 Å²	102	68.3 Å²	68.3	48%	0.477	32%	0.315	S	S	.	.	H	α-helix	trans	-79.1	-42.6	172.6	-161.7	58.4	-134.1	0	0	111.6	A442 Q443 Y444 W448 K449	A442-E446 PolarHBondContact O-N 3.15Å; Q443-E446 PolarHBondContact O-N 3.46Å; Y444-E446 VanDerWaalsContact C-N 3.31Å; Y444-E446 PolarHBondContact O-N 3.06Å; E446-W448 PolarHBondContact O-N 3.34Å; E446-W448 VanDerWaalsContact O-N 3.1Å; E446-K449 WeakPolarHBondContact O-CB 3.39Å; E446-K449 PolarHBondContact O-N 3.33Å; E446-K449 WeakPolarHBondContact OE1-CD 3.33Å; E446-K449 VanDerWaalsContact OE1-CE 3.27Å; E446-K449 WeakPolarHBondContact OE1-CE 3.47Å; E446-K449 IonicContact OE1-NZ 3.55Å; E446-K449 PolarHBondContact OE1-NZ 3.4Å; E446-K449 WeakPolarHBondContact OE2-CE 3.38Å; E446-K449 IonicContact OE2-NZ 3.33Å; E446-K449 PolarHBondContact OE2-NZ 3.07Å
447	D	98.3	Very high	97.7	Very high	16 Å²	16	67.2 Å²	67.2	9%	0.086	31%	0.308	C	S	.	.	H	α-helix	trans	-53.2	-31.7	176.4	-79.5	18.4	0	0	0	113	Q443 Y444 K449 S450 I455 R458 A459	Q443-D447 PolarHBondContact NE2-OD1 3.05Å; Q443-D447 PolarHBondContact O-N 3.37Å; Y444-D447 PolarHBondContact O-N 3.25Å; D447-K449 PolarHBondContact O-N 2.83Å; D447-K449 VanDerWaalsContact O-N 3.1Å; D447-S450 WeakPolarHBondContact O-CB 3.19Å; D447-S450 PolarHBondContact O-N 2.75Å; D447-I455 HydrophobicContact CB-CG2 3.63Å; D447-R458 IonicContact OD2-CZ 3.8Å; D447-R458 IonicContact OD2-NE 2.76Å; D447-R458 IonicContact OD2-NH2 2.78Å; D447-R458 PolarHBondContact OD2-NH2 3.16Å; D447-A459 HydrophobicContact CB-CB 3.44Å; D447-A459 VanDerWaalsContact CB-CB 3.44Å
448	W	98.5	Very high	97.8	Very high	7 Å²	7	69.2 Å²	69.2	3%	0.027	32%	0.315	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-22.3	172.9	-63.9	-19.2	0	0	0	114.3	Y444 R445 E446 R456 A459 Y463 E527 R529 V530 N533	Y444-W448 AromaticContact CD2-CE2 3.88Å; Y444-W448 AromaticContact CD2-CZ2 3.68Å; Y444-W448 HydrophobicContact CD2-CZ2 3.68Å; Y444-W448 AromaticContact CD2-NE1 3.94Å; Y444-W448 HydrophobicContact CE2-CH2 4.19Å; Y444-W448 AromaticContact CE2-CZ2 3.57Å; Y444-W448 HydrophobicContact CE2-CZ2 3.57Å; Y444-W448 PolarHBondContact O-N 2.73Å; Y444-W448 PolarHBondContact O-NE1 3.31Å; R445-W448 HydrophobicContact CB-CE3 4.34Å; R445-W448 HydrophobicContact CB-CZ3 4.29Å; R445-W448 HydrophobicContact CG-CE3 4.18Å; R445-W448 HydrophobicContact CG-CH2 3.67Å; R445-W448 HydrophobicContact CG-CZ2 4.18Å; R445-W448 HydrophobicContact CG-CZ3 3.67Å; E446-W448 PolarHBondContact O-N 3.34Å; E446-W448 VanDerWaalsContact O-N 3.1Å; W448-R456 WeakPolarHBondContact O-CD 3.47Å; W448-A459 PolarHBondContact NE1-O 3.29Å; W448-Y463 AromaticContact CH2-CD2 3.96Å; W448-Y463 HydrophobicContact CH2-CD2 3.96Å; W448-Y463 HydrophobicContact CH2-CE2 4.11Å; W448-Y463 HydrophobicContact CH2-CG 4.48Å; W448-Y463 HydrophobicContact CZ2-CD1 4.45Å; W448-Y463 AromaticContact CZ2-CD2 3.57Å; W448-Y463 HydrophobicContact CZ2-CD2 3.57Å; W448-Y463 HydrophobicContact CZ2-CE2 4.16Å; W448-Y463 AromaticContact CZ2-CG 3.73Å; W448-Y463 HydrophobicContact CZ2-CG 3.73Å; W448-E527 HydrophobicContact CH2-CB 4.04Å; W448-E527 HydrophobicContact CH2-CG 4.2Å; W448-E527 HydrophobicContact CZ3-CB 3.88Å; W448-E527 HydrophobicContact CZ3-CG 4.33Å; W448-E527 WeakPolarHBondContact CZ3-OE2 3.18Å; W448-R529 HydrophobicContact CE3-CB 3.99Å; W448-V530 HydrophobicContact CD2-CG2 3.98Å; W448-V530 HydrophobicContact CE3-CG2 4.14Å; W448-V530 HydrophobicContact CH2-CG2 3.5Å; W448-V530 HydrophobicContact CZ2-CG2 3.32Å; W448-V530 HydrophobicContact CZ3-CG2 3.91Å; W448-N533 PolarHBondContact O-ND2 3.34Å
449	K	97.9	Very high	97.9	Very high	107 Å²	107	64.2 Å²	64.2	47%	0.465	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-4.5	177.9	-50.4	-177.7	-140.6	153.9	0	113	E446 D447	E446-K449 WeakPolarHBondContact O-CB 3.39Å; E446-K449 PolarHBondContact O-N 3.33Å; E446-K449 WeakPolarHBondContact OE1-CD 3.33Å; E446-K449 VanDerWaalsContact OE1-CE 3.27Å; E446-K449 WeakPolarHBondContact OE1-CE 3.47Å; E446-K449 IonicContact OE1-NZ 3.55Å; E446-K449 PolarHBondContact OE1-NZ 3.4Å; E446-K449 WeakPolarHBondContact OE2-CE 3.38Å; E446-K449 IonicContact OE2-NZ 3.33Å; E446-K449 PolarHBondContact OE2-NZ 3.07Å; D447-K449 PolarHBondContact O-N 2.83Å; D447-K449 VanDerWaalsContact O-N 3.1Å
450	S	98.1	Very high	98	Very high	28 Å²	28	57.6 Å²	57.6	20%	0.196	26%	0.264	C	S	.	.			trans	-54.1	153.3	-176.1	-177	0	0	0	0	112.7	D447 E452 R456	D447-S450 WeakPolarHBondContact O-CB 3.19Å; D447-S450 PolarHBondContact O-N 2.75Å; S450-E452 VanDerWaalsContact C-N 3.27Å; S450-E452 PolarHBondContact OG-N 3.27Å; S450-R456 VanDerWaalsContact O-CZ 3.3Å; S450-R456 PolarHBondContact O-NE 3.34Å; S450-R456 PolarHBondContact O-NH2 2.98Å
451	K	97.2	Very high	98.1	Very high	214 Å²	214	57.5 Å²	57.5	93%	0.93	26%	0.263	S	S	*	.	S	Bend	trans	-73.5	-21.6	170.9	-64.9	-177.6	-179.3	178.7	0	112.1
452	E	97.8	Very high	98.1	Very high	113 Å²	113	55.8 Å²	55.8	53%	0.528	26%	0.257	S	S	.	.			trans	-90.9	123.1	-179.4	-69.5	178.1	-132.4	0	0	112.4	S450 R454 I455 R456	S450-E452 VanDerWaalsContact C-N 3.27Å; S450-E452 PolarHBondContact OG-N 3.27Å; E452-R454 VanDerWaalsContact C-N 3.29Å; E452-R454 PolarHBondContact O-N 2.82Å; E452-I455 HydrophobicContact CB-CB 4.17Å; E452-I455 HydrophobicContact CB-CD1 4Å; E452-I455 HydrophobicContact CB-CG1 3.97Å; E452-I455 HydrophobicContact CG-CD1 4.33Å; E452-I455 PolarHBondContact O-N 2.64Å; E452-I455 VanDerWaalsContact O-N 3.15Å; E452-R456 PolarHBondContact O-N 2.93Å
453	M	97.4	Very high	98.1	Very high	58 Å²	58	53.4 Å²	53.4	29%	0.286	24%	0.235	S	C	.	.	H	α-helix	trans	-56.1	-42.9	177.2	-171.3	61.4	93.9	0	0	112.3	I455 R456 Q457 L536 F537	M453-I455 VanDerWaalsContact C-N 3.29Å; M453-I455 PolarHBondContact O-N 3.5Å; M453-R456 PolarHBondContact O-N 3.07Å; M453-R456 VanDerWaalsContact O-N 3.12Å; M453-Q457 HydrophobicContact CG-CG 4.29Å; M453-Q457 WeakPolarHBondContact O-CG 3.49Å; M453-Q457 PolarHBondContact O-N 3.22Å; M453-L536 HydrophobicContact CE-CB 4.4Å; M453-F537 HydrophobicContact CE-CD1 4.38Å; M453-F537 HydrophobicContact SD-CD1 3.56Å; M453-F537 VanDerWaalsContact SD-CD1 3.56Å; M453-F537 HydrophobicContact SD-CE1 3.46Å; M453-F537 WeakPolarHBondContact SD-CE1 3.47Å
454	R	97.6	Very high	98.2	Very high	123 Å²	123	49.2 Å²	49.2	46%	0.464	22%	0.215	S	C	.	.	H	α-helix	trans	-57.3	-38.8	178.5	-175.4	177.5	-172.7	-150.4	5.3	113.1	E452 R458 R550	E452-R454 VanDerWaalsContact C-N 3.29Å; E452-R454 PolarHBondContact O-N 2.82Å; R454-R458 VanDerWaalsContact O-CB 3.27Å; R454-R458 WeakPolarHBondContact O-CB 3.39Å; R454-R458 PolarHBondContact O-N 3.5Å; R454-R550 HydrophobicContact CB-CB 4.06Å; R454-R550 HydrophobicContact CG-CB 4.15Å
455	I	98.1	Very high	98.2	Very high	32 Å²	32	49 Å²	49	16%	0.164	21%	0.214	C	C	.	.	H	α-helix	trans	-69.8	-43.2	177.7	-67.4	-179.3	0	0	0	110	D447 E452 M453 A459	D447-I455 HydrophobicContact CB-CG2 3.63Å; E452-I455 HydrophobicContact CB-CB 4.17Å; E452-I455 HydrophobicContact CB-CD1 4Å; E452-I455 HydrophobicContact CB-CG1 3.97Å; E452-I455 HydrophobicContact CG-CD1 4.33Å; E452-I455 PolarHBondContact O-N 2.64Å; E452-I455 VanDerWaalsContact O-N 3.15Å; M453-I455 VanDerWaalsContact C-N 3.29Å; M453-I455 PolarHBondContact O-N 3.5Å; I455-A459 VanDerWaalsContact O-CB 3.31Å; I455-A459 WeakPolarHBondContact O-CB 3.35Å; I455-A459 PolarHBondContact O-N 3.07Å
456	R	98.5	Very high	98.1	Very high	57 Å²	57	43.9 Å²	43.9	22%	0.215	20%	0.195	C	C	.	.	H	α-helix	trans	-61.9	-47.1	175.5	-60.5	-168.5	-173.7	179.8	11.8	112.5	W448 S450 E452 M453 A459 V460 N533 F537	W448-R456 WeakPolarHBondContact O-CD 3.47Å; S450-R456 VanDerWaalsContact O-CZ 3.3Å; S450-R456 PolarHBondContact O-NE 3.34Å; S450-R456 PolarHBondContact O-NH2 2.98Å; E452-R456 PolarHBondContact O-N 2.93Å; M453-R456 PolarHBondContact O-N 3.07Å; M453-R456 VanDerWaalsContact O-N 3.12Å; R456-A459 PolarHBondContact O-N 3.39Å; R456-V460 WeakPolarHBondContact O-CG2 3.49Å; R456-V460 PolarHBondContact O-N 3.38Å; R456-N533 WeakPolarHBondContact CD-OD1 3.39Å; R456-N533 PolarHBondContact NH1-OD1 3.04Å; R456-F537 HydrophobicContact CB-CE1 4.01Å; R456-F537 HydrophobicContact CB-CZ 3.88Å
457	Q	98.5	Very high	98	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-59	-50.2	178.8	-74.9	-178.9	-16.1	0	0	111.1	M453 A459 V460 A461 F537 F548 D549 R550	M453-Q457 HydrophobicContact CG-CG 4.29Å; M453-Q457 WeakPolarHBondContact O-CG 3.49Å; M453-Q457 PolarHBondContact O-N 3.22Å; Q457-A459 VanDerWaalsContact C-N 3.28Å; Q457-A459 PolarHBondContact O-N 3.31Å; Q457-V460 PolarHBondContact O-N 2.87Å; Q457-A461 WeakPolarHBondContact O-CB 3.33Å; Q457-A461 PolarHBondContact O-N 3.26Å; Q457-F537 HydrophobicContact CB-CZ 4.34Å; Q457-F537 HydrophobicContact CG-CD1 3.9Å; Q457-F537 HydrophobicContact CG-CD2 4.25Å; Q457-F537 HydrophobicContact CG-CE1 3.66Å; Q457-F537 HydrophobicContact CG-CE2 4.03Å; Q457-F537 HydrophobicContact CG-CG 4.22Å; Q457-F537 HydrophobicContact CG-CZ 3.73Å; Q457-F548 HydrophobicContact CB-CD1 3.8Å; Q457-F548 HydrophobicContact CG-CD1 3.98Å; Q457-D549 PolarHBondContact NE2-OD1 2.97Å; Q457-R550 VanDerWaalsContact OE1-N 3.08Å
458	R	98.3	Very high	97.9	Very high	42 Å²	42	42.9 Å²	42.9	16%	0.158	19%	0.189	C	C	.	.	H	α-helix	trans	-52	-45.4	172.9	-177.4	-174.1	74.5	-175.8	0.5	112.4	D447 R454 L462 L551 L556 H559	D447-R458 IonicContact OD2-CZ 3.8Å; D447-R458 IonicContact OD2-NE 2.76Å; D447-R458 IonicContact OD2-NH2 2.78Å; D447-R458 PolarHBondContact OD2-NH2 3.16Å; R454-R458 VanDerWaalsContact O-CB 3.27Å; R454-R458 WeakPolarHBondContact O-CB 3.39Å; R454-R458 PolarHBondContact O-N 3.5Å; R458-L462 VanDerWaalsContact O-CB 3.29Å; R458-L462 WeakPolarHBondContact O-CB 3.4Å; R458-L462 PolarHBondContact O-N 3.11Å; R458-L551 HydrophobicContact CB-CD1 3.97Å; R458-L551 HydrophobicContact CG-CD1 4.23Å; R458-L556 HydrophobicContact CG-CD1 4.1Å; R458-H559 VanDerWaalsContact CD-CD2 3.42Å; R458-H559 WeakPolarHBondContact CD-CD2 3.28Å; R458-H559 VanDerWaalsContact CZ-CD2 3.42Å; R458-H559 VanDerWaalsContact CZ-NE2 3.31Å; R458-H559 PolarHBondContact NE-CD2 3.15Å; R458-H559 VanDerWaalsContact NE-CD2 3.28Å; R458-H559 PolarHBondContact NH1-ND1 3.07Å; R458-H559 PolarHBondContact NH2-NE2 3.02Å
459	A	98.4	Very high	97.8	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.008	19%	0.188	C	C	.	.	H	α-helix	trans	-75.8	-29.5	-176.5	0	0	0	0	0	114.3	D447 W448 I455 R456 Q457 Y463	D447-A459 HydrophobicContact CB-CB 3.44Å; D447-A459 VanDerWaalsContact CB-CB 3.44Å; W448-A459 PolarHBondContact NE1-O 3.29Å; I455-A459 VanDerWaalsContact O-CB 3.31Å; I455-A459 WeakPolarHBondContact O-CB 3.35Å; I455-A459 PolarHBondContact O-N 3.07Å; R456-A459 PolarHBondContact O-N 3.39Å; Q457-A459 VanDerWaalsContact C-N 3.28Å; Q457-A459 PolarHBondContact O-N 3.31Å; A459-Y463 WeakPolarHBondContact O-CB 3.47Å; A459-Y463 PolarHBondContact O-N 2.86Å; A459-Y463 VanDerWaalsContact O-N 3.09Å
460	V	98.7	Very high	97.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-75.4	-42.6	171.7	169.5	0	0	0	0	111	R456 Q457 L462 Y463 F464 V530 N533 L534 F537 F548	R456-V460 WeakPolarHBondContact O-CG2 3.49Å; R456-V460 PolarHBondContact O-N 3.38Å; Q457-V460 PolarHBondContact O-N 2.87Å; V460-L462 VanDerWaalsContact C-N 3.33Å; V460-L462 PolarHBondContact O-N 3.02Å; V460-Y463 WeakPolarHBondContact O-CB 3.49Å; V460-Y463 PolarHBondContact O-N 2.82Å; V460-F464 HydrophobicContact CG1-CD2 4.43Å; V460-F464 HydrophobicContact CG1-CE1 4.21Å; V460-F464 HydrophobicContact CG1-CE2 3.96Å; V460-F464 HydrophobicContact CG1-CZ 3.85Å; V460-F464 PolarHBondContact O-N 3.36Å; V460-V530 HydrophobicContact CG1-CG1 3.91Å; V460-V530 HydrophobicContact CG2-CG1 4.28Å; V460-N533 HydrophobicContact CG2-CB 4.28Å; V460-L534 HydrophobicContact CG1-CD2 4.02Å; V460-F537 HydrophobicContact CB-CE2 3.81Å; V460-F537 HydrophobicContact CB-CZ 4.35Å; V460-F537 HydrophobicContact CG1-CE2 4Å; V460-F537 HydrophobicContact CG2-CE2 3.85Å; V460-F537 HydrophobicContact CG2-CZ 4.02Å; V460-F548 HydrophobicContact CB-CE1 4.21Å; V460-F548 HydrophobicContact CG1-CE1 3.99Å; V460-F548 HydrophobicContact CG1-CZ 4.08Å
461	A	98.5	Very high	97.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.3	-40.9	173.2	0	0	0	0	0	111.9	Q457 F464 I465 C487 F548 L551	Q457-A461 WeakPolarHBondContact O-CB 3.33Å; Q457-A461 PolarHBondContact O-N 3.26Å; A461-F464 PolarHBondContact O-N 3.17Å; A461-I465 WeakPolarHBondContact O-CD1 3.22Å; A461-I465 WeakPolarHBondContact O-CG1 3.34Å; A461-I465 PolarHBondContact O-N 3.38Å; A461-C487 PolarHBondContact O-SG 3.04Å; A461-F548 HydrophobicContact CB-CE1 4.28Å; A461-F548 HydrophobicContact CB-CE2 4.23Å; A461-F548 HydrophobicContact CB-CZ 4.06Å; A461-L551 HydrophobicContact CB-CD2 3.43Å; A461-L551 VanDerWaalsContact CB-CD2 3.43Å
462	L	98.3	Very high	97.6	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.021	13%	0.133	C	C	.	.	H	α-helix	trans	-64.6	-38.8	174.1	-176.3	54.5	0	0	0	112.3	Y444 R458 V460 I465 D466 L556 L560 F572	Y444-L462 HydrophobicContact CD1-CD2 4.02Å; Y444-L462 HydrophobicContact CD1-CG 3.99Å; R458-L462 VanDerWaalsContact O-CB 3.29Å; R458-L462 WeakPolarHBondContact O-CB 3.4Å; R458-L462 PolarHBondContact O-N 3.11Å; V460-L462 VanDerWaalsContact C-N 3.33Å; V460-L462 PolarHBondContact O-N 3.02Å; L462-I465 PolarHBondContact O-N 3.25Å; L462-D466 PolarHBondContact O-N 2.97Å; L462-L556 HydrophobicContact CB-CD1 4.4Å; L462-L560 HydrophobicContact CD1-CD2 3.86Å; L462-L560 HydrophobicContact CD2-CD2 4Å; L462-F572 HydrophobicContact CD1-CD2 4.43Å; L462-F572 HydrophobicContact CD1-CE1 4.3Å; L462-F572 HydrophobicContact CD1-CE2 3.84Å; L462-F572 HydrophobicContact CD1-CZ 3.77Å
463	Y	98.4	Very high	97.4	Very high	14 Å²	14	25.4 Å²	25.4	6%	0.055	11%	0.114	C	C	.	.	H	α-helix	trans	-61.1	-43.7	172.7	166.5	-99.4	0	0	0	112.4	Y444 W448 A459 V460 I465 D466 K467 V526 V530	Y444-Y463 AromaticContact CE2-CD2 3.79Å; Y444-Y463 HydrophobicContact CE2-CD2 3.79Å; Y444-Y463 HydrophobicContact CE2-CG 4.3Å; W448-Y463 AromaticContact CH2-CD2 3.96Å; W448-Y463 HydrophobicContact CH2-CD2 3.96Å; W448-Y463 HydrophobicContact CH2-CE2 4.11Å; W448-Y463 HydrophobicContact CH2-CG 4.48Å; W448-Y463 HydrophobicContact CZ2-CD1 4.45Å; W448-Y463 AromaticContact CZ2-CD2 3.57Å; W448-Y463 HydrophobicContact CZ2-CD2 3.57Å; W448-Y463 HydrophobicContact CZ2-CE2 4.16Å; W448-Y463 AromaticContact CZ2-CG 3.73Å; W448-Y463 HydrophobicContact CZ2-CG 3.73Å; A459-Y463 WeakPolarHBondContact O-CB 3.47Å; A459-Y463 PolarHBondContact O-N 2.86Å; A459-Y463 VanDerWaalsContact O-N 3.09Å; V460-Y463 WeakPolarHBondContact O-CB 3.49Å; V460-Y463 PolarHBondContact O-N 2.82Å; Y463-I465 VanDerWaalsContact C-N 3.31Å; Y463-I465 PolarHBondContact O-N 2.88Å; Y463-D466 PolarHBondContact O-N 2.92Å; Y463-K467 HydrophobicContact CD2-CG 3.73Å; Y463-K467 HydrophobicContact CE2-CG 3.54Å; Y463-K467 HydrophobicContact CG-CG 4.43Å; Y463-K467 WeakPolarHBondContact O-CB 3.31Å; Y463-K467 WeakPolarHBondContact O-CG 3.46Å; Y463-K467 PolarHBondContact O-N 3.36Å; Y463-V526 HydrophobicContact CE1-CB 4.14Å; Y463-V526 HydrophobicContact CE1-CG1 4.05Å; Y463-V530 HydrophobicContact CD1-CG1 4.06Å; Y463-V530 HydrophobicContact CD1-CG2 3.96Å; Y463-V530 HydrophobicContact CE1-CB 4.39Å; Y463-V530 HydrophobicContact CE1-CG1 3.98Å; Y463-V530 HydrophobicContact CE1-CG2 3.94Å; Y463-V530 HydrophobicContact CG-CG2 4.36Å
464	F	98.4	Very high	97.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-35.4	174.1	-66.2	-18.7	0	0	0	112.5	V460 A461 L468 L470 L495 F510 V530 L534 F548	V460-F464 HydrophobicContact CG1-CD2 4.43Å; V460-F464 HydrophobicContact CG1-CE1 4.21Å; V460-F464 HydrophobicContact CG1-CE2 3.96Å; V460-F464 HydrophobicContact CG1-CZ 3.85Å; V460-F464 PolarHBondContact O-N 3.36Å; A461-F464 PolarHBondContact O-N 3.17Å; F464-L468 HydrophobicContact CD1-CD1 4.39Å; F464-L468 WeakPolarHBondContact O-CA 2.72Å; F464-L468 WeakPolarHBondContact O-CB 3.37Å; F464-L468 PolarHBondContact O-N 2.77Å; F464-L470 HydrophobicContact CB-CD1 3.98Å; F464-L470 HydrophobicContact CB-CG 4.46Å; F464-L495 HydrophobicContact CE2-CD2 4.45Å; F464-L495 HydrophobicContact CZ-CD2 4.47Å; F464-F510 HydrophobicContact CD1-CZ 4.08Å; F464-F510 HydrophobicContact CD2-CE1 4.22Å; F464-F510 HydrophobicContact CD2-CZ 4.38Å; F464-F510 HydrophobicContact CE1-CE1 4.39Å; F464-F510 AromaticContact CE1-CZ 3.69Å; F464-F510 HydrophobicContact CE1-CZ 3.69Å; F464-F510 AromaticContact CE2-CE1 3.86Å; F464-F510 HydrophobicContact CE2-CE1 3.86Å; F464-F510 HydrophobicContact CE2-CZ 4Å; F464-F510 HydrophobicContact CG-CZ 4.41Å; F464-F510 AromaticContact CZ-CE1 3.95Å; F464-F510 HydrophobicContact CZ-CE1 3.95Å; F464-F510 AromaticContact CZ-CZ 3.63Å; F464-F510 HydrophobicContact CZ-CZ 3.63Å; F464-V530 HydrophobicContact CE1-CG1 4.08Å; F464-V530 HydrophobicContact CZ-CG1 4.49Å; F464-L534 HydrophobicContact CE2-CD2 4.13Å; F464-L534 HydrophobicContact CZ-CD1 3.92Å; F464-L534 HydrophobicContact CZ-CD2 3.81Å; F464-L534 HydrophobicContact CZ-CG 4.4Å; F464-F548 HydrophobicContact CD2-CE2 4.49Å; F464-F548 HydrophobicContact CD2-CZ 4.08Å; F464-F548 HydrophobicContact CE2-CE2 4.47Å; F464-F548 AromaticContact CE2-CZ 3.88Å; F464-F548 HydrophobicContact CE2-CZ 3.88Å
465	I	98.1	Very high	96.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-71.1	-37.6	175.4	-70.2	161.5	0	0	0	111.9	A461 L462 Y463 A469 L470 C487 L556 A569 F572	A461-I465 WeakPolarHBondContact O-CD1 3.22Å; A461-I465 WeakPolarHBondContact O-CG1 3.34Å; A461-I465 PolarHBondContact O-N 3.38Å; L462-I465 PolarHBondContact O-N 3.25Å; Y463-I465 VanDerWaalsContact C-N 3.31Å; Y463-I465 PolarHBondContact O-N 2.88Å; I465-A469 WeakPolarHBondContact O-CA 3.46Å; I465-A469 PolarHBondContact O-N 3.4Å; I465-L470 HydrophobicContact CG1-CB 4.41Å; I465-C487 HydrophobicContact CD1-CB 3.89Å; I465-C487 HydrophobicContact CG1-CB 3.83Å; I465-L556 HydrophobicContact CD1-CD2 3.51Å; I465-A569 HydrophobicContact CD1-CB 4.07Å; I465-A569 HydrophobicContact CG2-CB 4.38Å; I465-F572 HydrophobicContact CG2-CB 3.71Å; I465-F572 HydrophobicContact CG2-CD2 4.21Å; I465-F572 HydrophobicContact CG2-CG 4.01Å
466	D	97.7	Very high	96.1	Very high	4 Å²	4	31 Å²	31	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-71.2	-43.2	174.6	-179.6	61.3	0	0	0	112.9	R441 Y444 L462 Y463 F572 N576	R441-D466 IonicContact CZ-OD1 3.17Å; R441-D466 IonicContact CZ-OD2 2.69Å; R441-D466 IonicContact NE-OD1 2.75Å; R441-D466 PolarHBondContact NE-OD1 3.06Å; R441-D466 IonicContact NE-OD2 2.76Å; R441-D466 PolarHBondContact NE-OD2 3.01Å; R441-D466 IonicContact NH2-OD1 3.87Å; R441-D466 PolarHBondContact NH2-OD1 2.73Å; R441-D466 IonicContact NH2-OD2 3.39Å; R441-D466 PolarHBondContact NH2-OD2 2.71Å; Y444-D466 HydrophobicContact CE1-CB 4.28Å; Y444-D466 PolarHBondContact OH-OD2 3.05Å; L462-D466 PolarHBondContact O-N 2.97Å; Y463-D466 PolarHBondContact O-N 2.92Å; D466-F572 HydrophobicContact CB-CD1 4.12Å; D466-F572 HydrophobicContact CB-CE1 4.29Å; D466-N576 PolarHBondContact O-ND2 2.85Å
467	K	94.9	Very high	95.6	Very high	78 Å²	78	35.1 Å²	35.1	34%	0.339	17%	0.167	S	C	.	.	H	α-helix	trans	-90	-42.9	-173.3	-62.4	-50.4	-177.4	-150.8	0	114.3	Y463	Y463-K467 HydrophobicContact CD2-CG 3.73Å; Y463-K467 HydrophobicContact CE2-CG 3.54Å; Y463-K467 HydrophobicContact CG-CG 4.43Å; Y463-K467 WeakPolarHBondContact O-CB 3.31Å; Y463-K467 WeakPolarHBondContact O-CG 3.46Å; Y463-K467 PolarHBondContact O-N 3.36Å
468	L	95.9	Very high	94.9	Very high	18 Å²	18	44.1 Å²	44.1	9%	0.094	21%	0.209	C	C	.	.	S	Bend	trans	-103.1	4.7	-172.9	-56.6	178.8	0	0	0	112.9	F464 L470 F510 V524	F464-L468 HydrophobicContact CD1-CD1 4.39Å; F464-L468 WeakPolarHBondContact O-CA 2.72Å; F464-L468 WeakPolarHBondContact O-CB 3.37Å; F464-L468 PolarHBondContact O-N 2.77Å; L468-L470 HydrophobicContact CB-CD2 4.07Å; L468-L470 HydrophobicContact CB-CG 4.05Å; L468-L470 PolarHBondContact O-N 3.21Å; L468-L470 VanDerWaalsContact O-N 3.08Å; L468-F510 HydrophobicContact CD1-CD2 4.26Å; L468-F510 HydrophobicContact CD1-CE2 3.54Å; L468-F510 HydrophobicContact CD1-CZ 3.68Å; L468-V524 HydrophobicContact CD1-CG1 4.38Å; L468-V524 HydrophobicContact CD1-CG2 4.09Å; L468-V524 HydrophobicContact CD2-CB 4.5Å; L468-V524 HydrophobicContact CD2-CG1 3.91Å; L468-V524 HydrophobicContact CD2-CG2 3.77Å
469	A	96.5	Very high	94.3	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.008	23%	0.228	C	C	.	.			trans	46.3	40.9	-177.4	0	0	0	0	0	112.4	I465 R573 L612	I465-A469 WeakPolarHBondContact O-CA 3.46Å; I465-A469 PolarHBondContact O-N 3.4Å; A469-R573 VanDerWaalsContact O-CZ 3.23Å; A469-R573 PolarHBondContact O-NE 2.94Å; A469-R573 PolarHBondContact O-NH2 3.16Å; A469-L612 HydrophobicContact CB-CD1 4.17Å; A469-L612 HydrophobicContact CB-CG 4.11Å
470	L	96.8	Very high	93.9	Very high	8 Å²	8	47.2 Å²	47.2	4%	0.042	24%	0.24	C	C	.	.			trans	-63.9	159.2	176.4	-62	-165.6	0	0	0	111.1	F464 I465 L468 C487 L490 F512 Y520	F464-L470 HydrophobicContact CB-CD1 3.98Å; F464-L470 HydrophobicContact CB-CG 4.46Å; I465-L470 HydrophobicContact CG1-CB 4.41Å; L468-L470 HydrophobicContact CB-CD2 4.07Å; L468-L470 HydrophobicContact CB-CG 4.05Å; L468-L470 PolarHBondContact O-N 3.21Å; L468-L470 VanDerWaalsContact O-N 3.08Å; L470-C487 HydrophobicContact CB-CB 3.99Å; L470-C487 HydrophobicContact CD1-CB 4.14Å; L470-L490 HydrophobicContact CD1-CD1 4.41Å; L470-F512 HydrophobicContact CD1-CZ 4.43Å; L470-F512 HydrophobicContact CD2-CZ 4.13Å; L470-Y520 HydrophobicContact CD2-CD2 4.29Å; L470-Y520 HydrophobicContact CD2-CE1 4.21Å; L470-Y520 HydrophobicContact CD2-CE2 3.87Å
471	R	97.3	Very high	93.5	Very high	64 Å²	64	48.9 Å²	48.9	24%	0.242	25%	0.25	C	C	.	.			trans	-84.7	153.4	169.7	-63.8	-177.7	-176.7	91.3	3	108.7	G473 C487	R471-G473 VanDerWaalsContact C-N 3.27Å; R471-G473 PolarHBondContact O-N 3.16Å; R471-G473 VanDerWaalsContact O-N 3.16Å; R471-C487 WeakPolarHBondContact O-CB 3.45Å; R471-C487 PolarHBondContact O-N 2.8Å
472	A	95.2	Very high	93.2	Very high	19 Å²	19	49.2 Å²	49.2	16%	0.157	25%	0.252	C	S	.	.			trans	-52.2	-41.2	-173.7	0	0	0	0	0	113.8	C487 C488 T553 A569	A472-C487 PolarHBondContact O-N 3.25Å; A472-C488 WeakPolarHBondContact O-CB 3.49Å; A472-C488 PolarHBondContact O-N 3.02Å; A472-C488 PolarHBondContact O-SG 2.96Å; A472-T553 HydrophobicContact CB-CG2 3.73Å; A472-A569 HydrophobicContact CB-CB 3.85Å
473	G	93.8	Very high	93	Very high	11 Å²	11	53.4 Å²	53.4	11%	0.113	28%	0.275	C	S	.	.			trans	77.3	74.8	-177.4	0	0	0	0	0	111.6	R471 G486 T553	R471-G473 VanDerWaalsContact C-N 3.27Å; R471-G473 PolarHBondContact O-N 3.16Å; R471-G473 VanDerWaalsContact O-N 3.16Å; G473-G486 VanDerWaalsContact CA-CA 3.4Å; G473-T553 VanDerWaalsContact C-CG2 3.44Å; G473-T553 WeakPolarHBondContact O-CG2 3.19Å
474	N	92.3	Very high	92.8	Very high	103 Å²	103	53.5 Å²	53.5	55%	0.551	28%	0.277	S	S	*	.			trans	-71.4	140.1	167.3	-65.4	20.4	0	0	0	108.3	T553	N474-T553 WeakPolarHBondContact OD1-CG2 3.38Å; N474-T553 PolarHBondContact OD1-OG1 3.34Å
475	E	86.8	Confident	92.8	Very high	124 Å²	124	54.1 Å²	54.1	58%	0.579	28%	0.281	S	S	*	.			trans	-49.5	156	160.8	-66.3	137.6	-108.4	0	0	111.3	N552	E475-N552 WeakPolarHBondContact OE1-CB 3.38Å
476	K	87.8	Confident	92.7	Very high	104 Å²	104	54.3 Å²	54.3	45%	0.452	28%	0.283	S	S	.	.			trans	-141.8	154.4	177.5	-61.2	177.2	-170.3	155.1	0	109.5	E478 T481 T484	K476-E478 PolarHBondContact O-N 2.62Å; K476-T481 WeakPolarHBondContact CB-OG1 3.45Å; K476-T481 WeakPolarHBondContact CD-OG1 3.47Å; K476-T484 PolarHBondContact NZ-O 2.63Å; K476-T484 PolarHBondContact NZ-OG1 3.03Å
477	E	86.9	Confident	92.8	Very high	142 Å²	142	54.1 Å²	54.1	66%	0.664	28%	0.282	S	S	*	.			trans	-67.5	126.2	171.2	-164.2	167.2	-167.3	0	0	109.9	E480 T481	E477-E480 HydrophobicContact CB-CB 3.9Å; E477-E480 HydrophobicContact CB-CG 4.24Å; E477-E480 HydrophobicContact CG-CB 3.99Å; E477-E480 HydrophobicContact CG-CG 3.78Å; E477-T481 PolarHBondContact O-OG1 2.96Å
478	E	84.6	Confident	92.9	Very high	190 Å²	190	50.6 Å²	50.6	89%	0.888	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	147.4	179.9	-160.4	-169.9	159.1	0	0	110.4	K476 E480	K476-E478 PolarHBondContact O-N 2.62Å; E478-E480 PolarHBondContact O-N 2.92Å
479	G	84.8	Confident	93	Very high	54 Å²	54	50.5 Å²	50.5	56%	0.557	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	-12.4	-176.2	0	0	0	0	0	115.6	P351	P351-G479 VanDerWaalsContact CB-O 3.23Å; P351-G479 WeakPolarHBondContact CB-O 3.37Å; P351-G479 VanDerWaalsContact CG-C 3.47Å; P351-G479 WeakPolarHBondContact CG-O 3.47Å
480	E	89.9	Confident	93.1	Very high	54 Å²	54	50.4 Å²	50.4	25%	0.252	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-31.1	178.7	-87.3	-68.4	130.1	0	0	113.1	H350 K352 E477 E478	H350-E480 PolarHBondContact CE1-O 2.65Å; H350-E480 VanDerWaalsContact CE1-O 3.27Å; K352-E480 VanDerWaalsContact CE-CD 3.47Å; K352-E480 WeakPolarHBondContact CE-OE1 3.32Å; K352-E480 VanDerWaalsContact CE-OE2 3.28Å; K352-E480 WeakPolarHBondContact CE-OE2 3.39Å; K352-E480 IonicContact NZ-OE1 3.7Å; K352-E480 PolarHBondContact NZ-OE1 2.81Å; K352-E480 IonicContact NZ-OE2 2.89Å; K352-E480 PolarHBondContact NZ-OE2 3.32Å; E477-E480 HydrophobicContact CB-CB 3.9Å; E477-E480 HydrophobicContact CB-CG 4.24Å; E477-E480 HydrophobicContact CG-CB 3.99Å; E477-E480 HydrophobicContact CG-CG 3.78Å; E478-E480 PolarHBondContact O-N 2.92Å
481	T	91.1	Very high	93.2	Very high	34 Å²	34	52.4 Å²	52.4	21%	0.209	27%	0.274	C	S	.	.	S	Bend	trans	-126.4	162.7	-177.3	68.9	0	0	0	0	112.2	P351 K476 E477 D483	P351-T481 VanDerWaalsContact CD-C 3.46Å; P351-T481 VanDerWaalsContact CD-O 3.25Å; P351-T481 WeakPolarHBondContact CD-O 3.44Å; P351-T481 WeakPolarHBondContact CG-O 3.31Å; K476-T481 WeakPolarHBondContact CB-OG1 3.45Å; K476-T481 WeakPolarHBondContact CD-OG1 3.47Å; E477-T481 PolarHBondContact O-OG1 2.96Å; T481-D483 PolarHBondContact O-N 2.65Å
482	A	92.1	Very high	93.2	Very high	7 Å²	7	50.1 Å²	50.1	6%	0.058	27%	0.267	C	S	.	.			trans	-68.1	122.7	169.5	0	0	0	0	0	109.7	R347 H350 T484	R347-A482 WeakPolarHBondContact O-CB 3.35Å; H350-A482 HydrophobicContact CB-CB 4.04Å; A482-T484 PolarHBondContact O-N 3.22Å; A482-T484 PolarHBondContact O-OG1 2.92Å
483	D	93.2	Very high	93.3	Very high	92 Å²	92	53.8 Å²	53.8	49%	0.492	28%	0.281	S	S	.	.			trans	-56.4	116.6	176.5	178.3	38.7	0	0	0	110.2	T481 R491	T481-D483 PolarHBondContact O-N 2.65Å; D483-R491 IonicContact OD1-CZ 3.53Å; D483-R491 IonicContact OD1-NH1 2.96Å; D483-R491 PolarHBondContact OD1-NH1 2.87Å; D483-R491 IonicContact OD1-NH2 2.61Å; D483-R491 IonicContact OD2-CZ 3.19Å; D483-R491 IonicContact OD2-NH1 3.28Å; D483-R491 PolarHBondContact OD2-NH1 2.95Å; D483-R491 IonicContact OD2-NH2 2.69Å; D483-R491 PolarHBondContact OD2-NH2 2.8Å
484	T	95.9	Very high	93.6	Very high	16 Å²	16	54 Å²	54	10%	0.098	28%	0.279	C	S	.	.			trans	-163.8	121.3	-173	39.6	0	0	0	0	109.5	K476 A482 L513 G514 S517	K476-T484 PolarHBondContact NZ-O 2.63Å; K476-T484 PolarHBondContact NZ-OG1 3.03Å; A482-T484 PolarHBondContact O-N 3.22Å; A482-T484 PolarHBondContact O-OG1 2.92Å; T484-L513 CarbonylContact C-O 3.57Å; T484-L513 WeakPolarHBondContact CA-O 3.48Å; T484-L513 WeakPolarHBondContact CB-O 3.44Å; T484-L513 HydrophobicContact CG2-CB 4.02Å; T484-G514 WeakPolarHBondContact CB-O 3.45Å; T484-G514 WeakPolarHBondContact CG2-O 3.45Å; T484-S517 VanDerWaalsContact CG2-OG 3.25Å; T484-S517 WeakPolarHBondContact CG2-OG 3.34Å
485	V	97	Very high	93.8	Very high	13 Å²	13	49.3 Å²	49.3	8%	0.079	25%	0.254	C	S	.	.			trans	-104	171.6	-166.2	-62.3	0	0	0	0	113.8	S489 L490 F512 L513	V485-S489 VanDerWaalsContact CB-O 3.26Å; V485-S489 WeakPolarHBondContact CB-O 3.03Å; V485-S489 WeakPolarHBondContact CG1-O 3.4Å; V485-L490 HydrophobicContact CG2-CD2 3.89Å; V485-F512 HydrophobicContact CG2-CB 3.7Å; V485-F512 HydrophobicContact CG2-CD2 3.42Å; V485-F512 VanDerWaalsContact CG2-CD2 3.42Å; V485-F512 HydrophobicContact CG2-CE2 4.2Å; V485-F512 HydrophobicContact CG2-CG 3.76Å; V485-L513 PolarHBondContact N-O 3.02Å
486	G	97.2	Very high	94.4	Very high	5 Å²	5	49.5 Å²	49.5	5%	0.052	25%	0.253	C	S	.	.			trans	-146.7	-174.3	163.8	0	0	0	0	0	110.1	G473 C488 S489 L490	G473-G486 VanDerWaalsContact CA-CA 3.4Å; G486-C488 PolarHBondContact O-N 2.85Å; G486-C488 VanDerWaalsContact O-N 3.1Å; G486-S489 PolarHBondContact N-OG 3.15Å; G486-S489 VanDerWaalsContact N-OG 3.13Å; G486-S489 CarbonylContact O-C 3.57Å; G486-S489 PolarHBondContact O-N 2.89Å; G486-S489 PolarHBondContact O-OG 3.39Å; G486-L490 PolarHBondContact O-N 3.12Å
487	C	98.2	Very high	94.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-55.1	-38.6	-161.2	-166.6	0	0	0	0	116.4	A461 I465 L470 R471 A472 F548	A461-C487 PolarHBondContact O-SG 3.04Å; I465-C487 HydrophobicContact CD1-CB 3.89Å; I465-C487 HydrophobicContact CG1-CB 3.83Å; L470-C487 HydrophobicContact CB-CB 3.99Å; L470-C487 HydrophobicContact CD1-CB 4.14Å; R471-C487 WeakPolarHBondContact O-CB 3.45Å; R471-C487 PolarHBondContact O-N 2.8Å; A472-C487 PolarHBondContact O-N 3.25Å; C487-F548 WeakPolarHBondContact O-CD2 3.28Å; C487-F548 WeakPolarHBondContact O-CE2 3.3Å
488	C	97.9	Very high	95.4	Very high	4 Å²	4	42 Å²	42	3%	0.027	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-85.2	-11.7	-179.9	-55.3	0	0	0	0	113.4	A472 G486 T553	A472-C488 WeakPolarHBondContact O-CB 3.49Å; A472-C488 PolarHBondContact O-N 3.02Å; A472-C488 PolarHBondContact O-SG 2.96Å; G486-C488 PolarHBondContact O-N 2.85Å; G486-C488 VanDerWaalsContact O-N 3.1Å; C488-T553 HydrophobicContact CB-CG2 3.94Å
489	S	97.8	Very high	95.9	Very high	15 Å²	15	37.1 Å²	37.1	11%	0.105	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-118	31	-177.2	77.8	0	0	0	0	111.1	V485 G486	V485-S489 VanDerWaalsContact CB-O 3.26Å; V485-S489 WeakPolarHBondContact CB-O 3.03Å; V485-S489 WeakPolarHBondContact CG1-O 3.4Å; G486-S489 PolarHBondContact N-OG 3.15Å; G486-S489 VanDerWaalsContact N-OG 3.13Å; G486-S489 CarbonylContact O-C 3.57Å; G486-S489 PolarHBondContact O-N 2.89Å; G486-S489 PolarHBondContact O-OG 3.39Å
490	L	98.4	Very high	96.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.21	C	C	.	.			trans	-81	117.8	175.7	-80.7	165.1	0	0	0	107.8	L470 V485 G486 H494 L495 F512 L547 F548	L470-L490 HydrophobicContact CD1-CD1 4.41Å; V485-L490 HydrophobicContact CG2-CD2 3.89Å; G486-L490 PolarHBondContact O-N 3.12Å; L490-H494 HydrophobicContact CD2-CB 3.96Å; L490-L495 HydrophobicContact CD1-CD1 4.27Å; L490-L495 HydrophobicContact CD2-CD1 4.26Å; L490-F512 HydrophobicContact CD2-CD1 3.75Å; L490-F512 HydrophobicContact CD2-CD2 4.46Å; L490-F512 HydrophobicContact CD2-CE1 3.91Å; L490-F512 HydrophobicContact CD2-CG 4.04Å; L490-F512 HydrophobicContact CD2-CZ 4.33Å; L490-L547 HydrophobicContact CB-CB 4.47Å; L490-L547 HydrophobicContact CB-CD2 4.35Å; L490-L547 WeakPolarHBondContact O-CA 3.29Å; L490-L547 WeakPolarHBondContact O-CB 3.39Å; L490-L547 PolarHBondContact O-N 3.04Å; L490-F548 HydrophobicContact CD1-CE2 4.32Å
491	R	98.3	Very high	96.5	Very high	49 Å²	49	39.7 Å²	39.7	19%	0.185	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-75.3	160.9	166.6	-55.1	177.6	-60.6	-103.1	5.3	112.1	D483 E493 H494 D544 D545	D483-R491 IonicContact OD1-CZ 3.53Å; D483-R491 IonicContact OD1-NH1 2.96Å; D483-R491 PolarHBondContact OD1-NH1 2.87Å; D483-R491 IonicContact OD1-NH2 2.61Å; D483-R491 IonicContact OD2-CZ 3.19Å; D483-R491 IonicContact OD2-NH1 3.28Å; D483-R491 PolarHBondContact OD2-NH1 2.95Å; D483-R491 IonicContact OD2-NH2 2.69Å; D483-R491 PolarHBondContact OD2-NH2 2.8Å; R491-E493 VanDerWaalsContact C-N 3.32Å; R491-E493 HydrophobicContact CB-CG 4.27Å; R491-E493 IonicContact CZ-OE1 3.52Å; R491-E493 IonicContact NE-OE1 2.72Å; R491-E493 PolarHBondContact NE-OE1 3.35Å; R491-E493 IonicContact NH2-OE1 2.71Å; R491-E493 PolarHBondContact NH2-OE1 3.28Å; R491-E493 PolarHBondContact O-N 3.38Å; R491-H494 PolarHBondContact N-ND1 3.49Å; R491-H494 WeakPolarHBondContact O-CB 3.42Å; R491-H494 PolarHBondContact O-N 3.17Å; R491-H494 PolarHBondContact O-ND1 2.85Å; R491-D544 WeakPolarHBondContact CD-O 3.49Å; R491-D544 WeakPolarHBondContact CG-O 3.22Å; R491-D545 CarbonylContact C-O 3.38Å; R491-D545 WeakPolarHBondContact CA-O 3.49Å; R491-D545 WeakPolarHBondContact CB-O 3.43Å
492	V	98.4	Very high	96.5	Very high	16 Å²	16	45 Å²	45	10%	0.097	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-54.3	-42.2	-178.1	169.4	0	0	0	0	112.9	H494 L495 M538 K541 E542 P543 D545	V492-H494 PolarHBondContact O-N 2.85Å; V492-L495 PolarHBondContact O-N 3.22Å; V492-M538 HydrophobicContact CG1-CB 4.38Å; V492-M538 HydrophobicContact CG1-CE 3.74Å; V492-M538 HydrophobicContact CG1-CG 4.24Å; V492-M538 HydrophobicContact CG2-CG 4.32Å; V492-K541 HydrophobicContact CG2-CB 3.98Å; V492-K541 HydrophobicContact CG2-CD 3.98Å; V492-E542 WeakPolarHBondContact CB-O 3.09Å; V492-P543 PolarHBondContact N-O 2.79Å; V492-D545 HydrophobicContact CG2-CB 4.39Å; V492-D545 PolarHBondContact N-O 3.14Å
493	E	98.1	Very high	96.5	Very high	97 Å²	97	47.9 Å²	47.9	45%	0.453	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-54.4	-27.2	-178.4	65	-178.8	154.8	0	0	115	R491 L495 P543	R491-E493 VanDerWaalsContact C-N 3.32Å; R491-E493 HydrophobicContact CB-CG 4.27Å; R491-E493 IonicContact CZ-OE1 3.52Å; R491-E493 IonicContact NE-OE1 2.72Å; R491-E493 PolarHBondContact NE-OE1 3.35Å; R491-E493 IonicContact NH2-OE1 2.71Å; R491-E493 PolarHBondContact NH2-OE1 3.28Å; R491-E493 PolarHBondContact O-N 3.38Å; E493-L495 VanDerWaalsContact C-N 3.26Å; E493-L495 PolarHBondContact O-N 3.42Å; E493-P543 HydrophobicContact CB-CB 3.99Å; E493-P543 WeakPolarHBondContact CB-O 3.46Å; E493-P543 PolarHBondContact N-O 3.4Å
494	H	98.6	Very high	96.5	Very high	15 Å²	15	47.6 Å²	47.6	7%	0.069	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-77	-10.2	-173.2	-60.3	111.7	0	0	0	114.1	L490 R491 V492 F510 D511 F512	L490-H494 HydrophobicContact CD2-CB 3.96Å; R491-H494 PolarHBondContact N-ND1 3.49Å; R491-H494 WeakPolarHBondContact O-CB 3.42Å; R491-H494 PolarHBondContact O-N 3.17Å; R491-H494 PolarHBondContact O-ND1 2.85Å; V492-H494 PolarHBondContact O-N 2.85Å; H494-F510 WeakPolarHBondContact O-CA 3.3Å; H494-D511 WeakPolarHBondContact CA-O 3.31Å; H494-D511 PolarHBondContact O-N 2.75Å; H494-F512 HydrophobicContact CB-CB 4.05Å; H494-F512 WeakPolarHBondContact CD2-CB 3.49Å
495	L	97.9	Very high	96.6	Very high	5 Å²	5	52.8 Å²	52.8	3%	0.026	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	135	-176.7	-82.1	76	0	0	0	111	F464 L490 V492 E493 V508 E509 F510 L534 M538 L547	F464-L495 HydrophobicContact CE2-CD2 4.45Å; F464-L495 HydrophobicContact CZ-CD2 4.47Å; L490-L495 HydrophobicContact CD1-CD1 4.27Å; L490-L495 HydrophobicContact CD2-CD1 4.26Å; V492-L495 PolarHBondContact O-N 3.22Å; E493-L495 VanDerWaalsContact C-N 3.26Å; E493-L495 PolarHBondContact O-N 3.42Å; L495-V508 HydrophobicContact CD2-CG1 3.81Å; L495-V508 HydrophobicContact CG-CG1 4.08Å; L495-E509 CarbonylContact C-O 3.58Å; L495-E509 WeakPolarHBondContact CA-O 3.25Å; L495-F510 HydrophobicContact CD1-CD1 3.94Å; L495-F510 HydrophobicContact CD1-CE1 4.17Å; L495-F510 HydrophobicContact CD2-CD1 4.39Å; L495-F510 HydrophobicContact CD2-CE1 3.97Å; L495-F510 HydrophobicContact CG-CD1 3.91Å; L495-F510 HydrophobicContact CG-CE1 4.01Å; L495-L534 HydrophobicContact CD2-CD1 4.42Å; L495-L534 HydrophobicContact CD2-CD2 3.97Å; L495-M538 WeakPolarHBondContact O-CE 3.14Å; L495-L547 HydrophobicContact CD1-CD2 4.03Å; L495-L547 HydrophobicContact CD2-CD2 3.69Å; L495-L547 HydrophobicContact CG-CD2 4.48Å
496	K	98.1	Very high	96.6	Very high	128 Å²	128	53.5 Å²	53.5	56%	0.557	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.9	166.8	-64.2	175.2	-175.2	174	0	109.2	E509	K496-E509 HydrophobicContact CB-CB 4.2Å; K496-E509 PolarHBondContact N-O 3.45Å; K496-E509 PolarHBondContact O-N 3.1Å
497	L	98.1	Very high	96.7	Very high	40 Å²	40	53.3 Å²	53.3	21%	0.209	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	107.1	-173.8	-58.9	-174.7	0	0	0	109.9	V508 F531 L534 Q535 M538	L497-V508 HydrophobicContact CD2-CB 4.49Å; L497-V508 HydrophobicContact CD2-CG1 4.12Å; L497-V508 HydrophobicContact CD2-CG2 3.93Å; L497-F531 HydrophobicContact CB-CE1 4.48Å; L497-F531 HydrophobicContact CB-CE2 3.88Å; L497-F531 HydrophobicContact CB-CZ 3.73Å; L497-F531 HydrophobicContact CD2-CE2 4.46Å; L497-L534 HydrophobicContact CD1-CB 3.82Å; L497-L534 HydrophobicContact CD2-CB 3.93Å; L497-L534 HydrophobicContact CD2-CD1 3.88Å; L497-Q535 HydrophobicContact CD1-CB 4.4Å; L497-Q535 HydrophobicContact CD1-CG 3.66Å; L497-M538 HydrophobicContact CD1-SD 3.61Å; L497-M538 HydrophobicContact CD2-SD 4.49Å; L497-M538 HydrophobicContact CG-SD 3.9Å
498	H	97.7	Very high	96.7	Very high	49 Å²	49	53.3 Å²	53.3	23%	0.227	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	110.8	-179.6	-58.8	-77.1	0	0	0	109.5	E500 V507 E509 F531	H498-E500 PolarHBondContact O-N 2.9Å; H498-V507 HydrophobicContact CB-CB 4.24Å; H498-V507 PolarHBondContact N-O 3.42Å; H498-V507 PolarHBondContact O-N 2.93Å; H498-E509 IonicContact CD2-OE2 3.43Å; H498-E509 IonicContact CE1-OE2 2.74Å; H498-E509 IonicContact NE2-OE2 3.61Å; H498-E509 PolarHBondContact NE2-OE2 2.71Å; H498-F531 WeakPolarHBondContact O-CE2 3.21Å
499	P	96.4	Very high	96.7	Very high	86 Å²	86	54.1 Å²	54.1	56%	0.558	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.4	-34.3	-178.6	-25.7	35.7	0	0	0	113.1	F506 F531	P499-F506 PolarHBondContact O-N 3.38Å; P499-F531 HydrophobicContact CB-CZ 4.46Å; P499-F531 HydrophobicContact CG-CZ 4.21Å
500	E	94.7	Very high	96.7	Very high	142 Å²	142	53.4 Å²	53.4	66%	0.664	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-140.7	140.3	168	-171.5	-178.9	165.5	0	0	108	H498 Q504	H498-E500 PolarHBondContact O-N 2.9Å; E500-Q504 CarbonylContact C-O 3.59Å; E500-Q504 WeakPolarHBondContact CA-O 3Å
501	S	92.1	Very high	96.7	Very high	21 Å²	21	56.1 Å²	56.1	15%	0.147	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	136.5	173.3	-145.5	0	0	0	0	110	G503 Q504	S501-G503 PolarHBondContact O-N 2.77Å; S501-Q504 PolarHBondContact N-O 3.48Å; S501-Q504 WeakPolarHBondContact O-CB 3.34Å; S501-Q504 PolarHBondContact O-N 2.97Å
502	E	90.4	Very high	96.7	Very high	144 Å²	144	54.4 Å²	54.4	67%	0.673	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	30.6	175.5	-62.4	169.5	-126.8	0	0	114	R523	E502-R523 WeakPolarHBondContact OE1-CD 3.28Å; E502-R523 IonicContact OE1-CZ 2.69Å; E502-R523 IonicContact OE1-NE 3.63Å; E502-R523 IonicContact OE1-NH1 2.75Å; E502-R523 PolarHBondContact OE1-NH1 3.35Å
503	G	91.8	Very high	96.7	Very high	68 Å²	68	57.4 Å²	57.4	70%	0.701	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.7	15.6	-176.8	0	0	0	0	0	115.1	S501	S501-G503 PolarHBondContact O-N 2.77Å
504	Q	94.4	Very high	96.6	Very high	87 Å²	87	53.1 Å²	53.1	41%	0.407	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	130.6	-179.9	-59.3	-180	-16.2	0	0	110.5	E500 S501 V507 P525	E500-Q504 CarbonylContact C-O 3.59Å; E500-Q504 WeakPolarHBondContact CA-O 3Å; S501-Q504 PolarHBondContact N-O 3.48Å; S501-Q504 WeakPolarHBondContact O-CB 3.34Å; S501-Q504 PolarHBondContact O-N 2.97Å; Q504-V507 HydrophobicContact CB-CG2 3.78Å; Q504-V507 WeakPolarHBondContact O-CG2 3.2Å; Q504-P525 HydrophobicContact CB-CG 4.01Å; Q504-P525 HydrophobicContact CG-CG 4.34Å
505	E	96.8	Very high	96.4	Very high	124 Å²	124	57.7 Å²	57.7	58%	0.579	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.5	150.7	173	-61.6	-166.2	137.4	0	0	111.6	V507	E505-V507 PolarHBondContact O-N 3.33Å
506	F	97.7	Very high	96.1	Very high	28 Å²	28	60 Å²	60	12%	0.123	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	57.1	48.2	169.2	-50.5	-57.4	0	0	0	114.8	P499 V526 K528 F531	P499-F506 PolarHBondContact O-N 3.38Å; F506-V526 PolarHBondContact O-N 2.87Å; F506-K528 HydrophobicContact CD1-CG 4.42Å; F506-K528 HydrophobicContact CD2-CB 3.86Å; F506-K528 HydrophobicContact CD2-CD 4.29Å; F506-K528 HydrophobicContact CD2-CG 3.94Å; F506-K528 HydrophobicContact CE1-CD 4.47Å; F506-K528 HydrophobicContact CE1-CG 4.05Å; F506-K528 HydrophobicContact CE2-CB 3.85Å; F506-K528 HydrophobicContact CE2-CD 3.42Å; F506-K528 VanDerWaalsContact CE2-CD 3.42Å; F506-K528 HydrophobicContact CE2-CG 3.49Å; F506-K528 VanDerWaalsContact CE2-CG 3.49Å; F506-K528 HydrophobicContact CG-CB 4.43Å; F506-K528 HydrophobicContact CG-CG 4.42Å; F506-K528 HydrophobicContact CZ-CB 4.44Å; F506-K528 HydrophobicContact CZ-CD 3.59Å; F506-K528 HydrophobicContact CZ-CG 3.62Å; F506-K528 VanDerWaalsContact CZ-NZ 3.3Å; F506-F531 HydrophobicContact CB-CB 3.88Å; F506-F531 HydrophobicContact CB-CD2 3.74Å; F506-F531 HydrophobicContact CB-CE2 4.47Å; F506-F531 HydrophobicContact CB-CG 3.89Å; F506-F531 HydrophobicContact CD1-CB 4.04Å; F506-F531 AromaticContact CD1-CD1 3.79Å; F506-F531 HydrophobicContact CD1-CD1 3.79Å; F506-F531 HydrophobicContact CD1-CD2 4.2Å; F506-F531 HydrophobicContact CD1-CE1 4.27Å; F506-F531 AromaticContact CD1-CG 3.74Å; F506-F531 HydrophobicContact CD1-CG 3.74Å; F506-F531 HydrophobicContact CG-CB 4.2Å; F506-F531 HydrophobicContact CG-CD2 4.47Å; F506-F531 HydrophobicContact CG-CG 4.22Å
507	V	98.2	Very high	95.9	Very high	2 Å²	2	55.1 Å²	55.1	1%	0.012	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	125.3	179.6	176.4	0	0	0	0	110.8	H498 Q504 E505 R523 P525	H498-V507 HydrophobicContact CB-CB 4.24Å; H498-V507 PolarHBondContact N-O 3.42Å; H498-V507 PolarHBondContact O-N 2.93Å; Q504-V507 HydrophobicContact CB-CG2 3.78Å; Q504-V507 WeakPolarHBondContact O-CG2 3.2Å; E505-V507 PolarHBondContact O-N 3.33Å; V507-R523 HydrophobicContact CG1-CB 4.07Å; V507-P525 HydrophobicContact CG2-CG 4.22Å
508	V	98.4	Very high	95.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	117.9	168.2	-175.6	0	0	0	0	108.2	L495 L497 F510 V524 V526 F531 L534	L495-V508 HydrophobicContact CD2-CG1 3.81Å; L495-V508 HydrophobicContact CG-CG1 4.08Å; L497-V508 HydrophobicContact CD2-CB 4.49Å; L497-V508 HydrophobicContact CD2-CG1 4.12Å; L497-V508 HydrophobicContact CD2-CG2 3.93Å; V508-F510 HydrophobicContact CB-CD2 4.39Å; V508-F510 HydrophobicContact CB-CE2 3.81Å; V508-F510 HydrophobicContact CB-CZ 4.25Å; V508-F510 HydrophobicContact CG1-CD1 4.48Å; V508-F510 HydrophobicContact CG1-CD2 3.9Å; V508-F510 HydrophobicContact CG1-CE1 4.13Å; V508-F510 HydrophobicContact CG1-CE2 3.48Å; V508-F510 VanDerWaalsContact CG1-CE2 3.48Å; V508-F510 HydrophobicContact CG1-CG 4.39Å; V508-F510 HydrophobicContact CG1-CZ 3.61Å; V508-V524 PolarHBondContact N-O 3.07Å; V508-V524 PolarHBondContact O-N 3.31Å; V508-V526 HydrophobicContact CB-CG1 4.28Å; V508-V526 HydrophobicContact CG2-CB 4.35Å; V508-V526 HydrophobicContact CG2-CG1 3.73Å; V508-V526 HydrophobicContact CG2-CG2 3.66Å; V508-F531 HydrophobicContact CG2-CD2 4.33Å; V508-L534 HydrophobicContact CG1-CD1 4.37Å; V508-L534 HydrophobicContact CG2-CD1 3.57Å
509	E	98.4	Very high	95.7	Very high	20 Å²	20	59.6 Å²	59.6	9%	0.093	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	117.5	168.9	173.5	170.4	-126.9	0	0	108.5	L495 K496 H498 Y521 N522 R523	L495-E509 CarbonylContact C-O 3.58Å; L495-E509 WeakPolarHBondContact CA-O 3.25Å; K496-E509 HydrophobicContact CB-CB 4.2Å; K496-E509 PolarHBondContact N-O 3.45Å; K496-E509 PolarHBondContact O-N 3.1Å; H498-E509 IonicContact CD2-OE2 3.43Å; H498-E509 IonicContact CE1-OE2 2.74Å; H498-E509 IonicContact NE2-OE2 3.61Å; H498-E509 PolarHBondContact NE2-OE2 2.71Å; E509-Y521 HydrophobicContact CG-CE2 4Å; E509-Y521 WeakPolarHBondContact OE1-CE2 3.18Å; E509-Y521 PolarHBondContact OE1-OH 3.26Å; E509-N522 WeakPolarHBondContact CA-O 3.46Å; E509-R523 HydrophobicContact CB-CG 4.18Å; E509-R523 HydrophobicContact CG-CG 4.23Å; E509-R523 IonicContact OE1-CZ 2.71Å; E509-R523 VanDerWaalsContact OE1-CZ 3.29Å; E509-R523 IonicContact OE1-NE 2.64Å; E509-R523 PolarHBondContact OE1-NE 2.77Å; E509-R523 IonicContact OE1-NH2 2.73Å; E509-R523 PolarHBondContact OE1-NH2 2.65Å; E509-R523 IonicContact OE2-NH2 3.52Å
510	F	98.5	Very high	95.8	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	133.4	174.2	-63.9	-95.1	0	0	0	109.4	F464 L468 H494 L495 V508 F512 Y520 Y521 N522 V524	F464-F510 HydrophobicContact CD1-CZ 4.08Å; F464-F510 HydrophobicContact CD2-CE1 4.22Å; F464-F510 HydrophobicContact CD2-CZ 4.38Å; F464-F510 HydrophobicContact CE1-CE1 4.39Å; F464-F510 AromaticContact CE1-CZ 3.69Å; F464-F510 HydrophobicContact CE1-CZ 3.69Å; F464-F510 AromaticContact CE2-CE1 3.86Å; F464-F510 HydrophobicContact CE2-CE1 3.86Å; F464-F510 HydrophobicContact CE2-CZ 4Å; F464-F510 HydrophobicContact CG-CZ 4.41Å; F464-F510 AromaticContact CZ-CE1 3.95Å; F464-F510 HydrophobicContact CZ-CE1 3.95Å; F464-F510 AromaticContact CZ-CZ 3.63Å; F464-F510 HydrophobicContact CZ-CZ 3.63Å; L468-F510 HydrophobicContact CD1-CD2 4.26Å; L468-F510 HydrophobicContact CD1-CE2 3.54Å; L468-F510 HydrophobicContact CD1-CZ 3.68Å; H494-F510 WeakPolarHBondContact O-CA 3.3Å; L495-F510 HydrophobicContact CD1-CD1 3.94Å; L495-F510 HydrophobicContact CD1-CE1 4.17Å; L495-F510 HydrophobicContact CD2-CD1 4.39Å; L495-F510 HydrophobicContact CD2-CE1 3.97Å; L495-F510 HydrophobicContact CG-CD1 3.91Å; L495-F510 HydrophobicContact CG-CE1 4.01Å; V508-F510 HydrophobicContact CB-CD2 4.39Å; V508-F510 HydrophobicContact CB-CE2 3.81Å; V508-F510 HydrophobicContact CB-CZ 4.25Å; V508-F510 HydrophobicContact CG1-CD1 4.48Å; V508-F510 HydrophobicContact CG1-CD2 3.9Å; V508-F510 HydrophobicContact CG1-CE1 4.13Å; V508-F510 HydrophobicContact CG1-CE2 3.48Å; V508-F510 VanDerWaalsContact CG1-CE2 3.48Å; V508-F510 HydrophobicContact CG1-CG 4.39Å; V508-F510 HydrophobicContact CG1-CZ 3.61Å; F510-F512 HydrophobicContact CB-CD1 4.4Å; F510-F512 HydrophobicContact CB-CE1 4.3Å; F510-F512 HydrophobicContact CD1-CE1 4.32Å; F510-Y520 HydrophobicContact CB-CD1 3.9Å; F510-Y520 HydrophobicContact CB-CE1 3.71Å; F510-Y520 HydrophobicContact CD2-CE1 4.43Å; F510-Y520 HydrophobicContact CG-CE1 4.06Å; F510-Y521 VanDerWaalsContact O-CA 3.31Å; F510-Y521 WeakPolarHBondContact O-CA 3.33Å; F510-N522 PolarHBondContact N-O 3.42Å; F510-N522 PolarHBondContact O-N 3.04Å; F510-V524 HydrophobicContact CD2-CG2 4.15Å; F510-V524 HydrophobicContact CE2-CB 4.15Å; F510-V524 HydrophobicContact CE2-CG2 4.06Å
511	D	98.3	Very high	95.9	Very high	58 Å²	58	54.7 Å²	54.7	31%	0.31	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	106.7	171.2	-163.9	7.3	0	0	0	110.9	H494 R519 Y520 Y521	H494-D511 WeakPolarHBondContact CA-O 3.31Å; H494-D511 PolarHBondContact O-N 2.75Å; D511-R519 IonicContact OD1-CZ 3.79Å; D511-R519 IonicContact OD1-NE 2.68Å; D511-R519 PolarHBondContact OD1-NE 2.79Å; D511-R519 IonicContact OD1-NH2 2.69Å; D511-R519 PolarHBondContact OD1-NH2 3.46Å; D511-R519 IonicContact OD2-CZ 3.9Å; D511-R519 IonicContact OD2-NE 2.76Å; D511-R519 IonicContact OD2-NH2 2.7Å; D511-R519 PolarHBondContact OD2-NH2 2.88Å; D511-Y520 WeakPolarHBondContact CA-O 3.34Å; D511-Y521 HydrophobicContact CB-CD2 3.96Å; D511-Y521 HydrophobicContact CB-CE2 4.49Å
512	F	97.9	Very high	96.1	Very high	13 Å²	13	56.5 Å²	56.5	6%	0.057	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	156.6	-178.1	64.6	-94.2	0	0	0	113.8	L470 V485 L490 H494 F510 G514 R519 Y520	L470-F512 HydrophobicContact CD1-CZ 4.43Å; L470-F512 HydrophobicContact CD2-CZ 4.13Å; V485-F512 HydrophobicContact CG2-CB 3.7Å; V485-F512 HydrophobicContact CG2-CD2 3.42Å; V485-F512 VanDerWaalsContact CG2-CD2 3.42Å; V485-F512 HydrophobicContact CG2-CE2 4.2Å; V485-F512 HydrophobicContact CG2-CG 3.76Å; L490-F512 HydrophobicContact CD2-CD1 3.75Å; L490-F512 HydrophobicContact CD2-CD2 4.46Å; L490-F512 HydrophobicContact CD2-CE1 3.91Å; L490-F512 HydrophobicContact CD2-CG 4.04Å; L490-F512 HydrophobicContact CD2-CZ 4.33Å; H494-F512 HydrophobicContact CB-CB 4.05Å; H494-F512 WeakPolarHBondContact CD2-CB 3.49Å; F510-F512 HydrophobicContact CB-CD1 4.4Å; F510-F512 HydrophobicContact CB-CE1 4.3Å; F510-F512 HydrophobicContact CD1-CE1 4.32Å; F512-G514 PolarHBondContact O-N 3.08Å; F512-R519 CarbonylContact O-C 3.46Å; F512-R519 WeakPolarHBondContact O-CA 3.47Å; F512-Y520 AromaticContact CD1-CD1 3.98Å; F512-Y520 HydrophobicContact CD1-CD1 3.98Å; F512-Y520 AromaticContact CE1-CD1 3.28Å; F512-Y520 HydrophobicContact CE1-CD1 3.28Å; F512-Y520 HydrophobicContact CE1-CE1 4.02Å; F512-Y520 AromaticContact CE1-CG 3.83Å; F512-Y520 HydrophobicContact CE1-CG 3.83Å; F512-Y520 HydrophobicContact CE2-CG 4.35Å; F512-Y520 AromaticContact CZ-CD1 3.65Å; F512-Y520 HydrophobicContact CZ-CD1 3.65Å; F512-Y520 HydrophobicContact CZ-CE1 4.43Å; F512-Y520 AromaticContact CZ-CG 3.73Å; F512-Y520 HydrophobicContact CZ-CG 3.73Å; F512-Y520 PolarHBondContact N-O 2.89Å; F512-Y520 PolarHBondContact O-N 2.84Å
513	L	97.6	Very high	96.4	Very high	79 Å²	79	53.9 Å²	53.9	41%	0.414	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	110.7	171.4	-60	-174.1	0	0	0	110.2	T484 V485 R519	T484-L513 CarbonylContact C-O 3.57Å; T484-L513 WeakPolarHBondContact CA-O 3.48Å; T484-L513 WeakPolarHBondContact CB-O 3.44Å; T484-L513 HydrophobicContact CG2-CB 4.02Å; V485-L513 PolarHBondContact N-O 3.02Å; L513-R519 HydrophobicContact CD2-CB 4.02Å; L513-R519 HydrophobicContact CD2-CG 4.43Å
514	G	96.2	Very high	96.5	Very high	6 Å²	6	51.5 Å²	51.5	6%	0.062	24%	0.239	C	C	.	.			trans	-81.7	-172.3	175.7	0	0	0	0	0	113.1	T484 F512 D516 S517 I518	T484-G514 WeakPolarHBondContact CB-O 3.45Å; T484-G514 WeakPolarHBondContact CG2-O 3.45Å; F512-G514 PolarHBondContact O-N 3.08Å; G514-D516 PolarHBondContact O-N 3.35Å; G514-S517 WeakPolarHBondContact O-CA 3.49Å; G514-S517 PolarHBondContact O-N 2.95Å; G514-I518 PolarHBondContact N-O 2.94Å
515	K	94	Very high	96.7	Very high	112 Å²	112	50.2 Å²	50.2	49%	0.487	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-46.4	137.8	173.8	-164.6	-141.8	168.8	-132	0	111.5	S517	K515-S517 PolarHBondContact O-N 3.41Å
516	D	92.2	Very high	96.8	Very high	53 Å²	53	44.8 Å²	44.8	28%	0.283	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	68.1	17.1	-175.9	-55.1	-66.8	0	0	0	114.2	R347 G514 I518	R347-D516 WeakPolarHBondContact CD-OD1 3.43Å; R347-D516 IonicContact CZ-OD1 2.86Å; R347-D516 IonicContact NE-OD1 2.77Å; R347-D516 IonicContact NH1-OD1 3.3Å; R347-D516 PolarHBondContact NH1-OD1 3.48Å; R347-D516 IonicContact NH1-OD2 3.36Å; G514-D516 PolarHBondContact O-N 3.35Å; D516-I518 HydrophobicContact CB-CD1 4.26Å; D516-I518 HydrophobicContact CB-CG1 4.25Å; D516-I518 PolarHBondContact O-N 3.2Å
517	S	94.7	Very high	96.8	Very high	26 Å²	26	46.5 Å²	46.5	18%	0.182	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	58.4	30	-175.3	-53.6	0	0	0	0	113.6	G348 T484 G514 K515	G348-S517 WeakPolarHBondContact CA-OG 3.42Å; T484-S517 VanDerWaalsContact CG2-OG 3.25Å; T484-S517 WeakPolarHBondContact CG2-OG 3.34Å; G514-S517 WeakPolarHBondContact O-CA 3.49Å; G514-S517 PolarHBondContact O-N 2.95Å; K515-S517 PolarHBondContact O-N 3.41Å
518	I	94.8	Very high	96.7	Very high	49 Å²	49	51.8 Å²	51.8	25%	0.251	24%	0.244	S	C	.	.			trans	-83.7	116.1	173.7	-59.9	175.5	0	0	0	108.1	G514 D516 Y520 Q616	G514-I518 PolarHBondContact N-O 2.94Å; D516-I518 HydrophobicContact CB-CD1 4.26Å; D516-I518 HydrophobicContact CB-CG1 4.25Å; D516-I518 PolarHBondContact O-N 3.2Å; I518-Y520 PolarHBondContact O-N 2.86Å; I518-Q616 HydrophobicContact CG2-CB 4.04Å; I518-Q616 HydrophobicContact CG2-CG 4.25Å
519	R	96.9	Very high	96.7	Very high	133 Å²	133	59.2 Å²	59.2	50%	0.502	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.1	127.4	175.5	-168.5	177.8	-178.5	-169.7	1	110.5	D511 F512 L513 N614 Q616	D511-R519 IonicContact OD1-CZ 3.79Å; D511-R519 IonicContact OD1-NE 2.68Å; D511-R519 PolarHBondContact OD1-NE 2.79Å; D511-R519 IonicContact OD1-NH2 2.69Å; D511-R519 PolarHBondContact OD1-NH2 3.46Å; D511-R519 IonicContact OD2-CZ 3.9Å; D511-R519 IonicContact OD2-NE 2.76Å; D511-R519 IonicContact OD2-NH2 2.7Å; D511-R519 PolarHBondContact OD2-NH2 2.88Å; F512-R519 CarbonylContact O-C 3.46Å; F512-R519 WeakPolarHBondContact O-CA 3.47Å; L513-R519 HydrophobicContact CD2-CB 4.02Å; L513-R519 HydrophobicContact CD2-CG 4.43Å; R519-N614 PolarHBondContact O-ND2 3.04Å; R519-Q616 PolarHBondContact O-NE2 3.02Å
520	Y	97.7	Very high	96.7	Very high	20 Å²	20	58.3 Å²	58.3	8%	0.078	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	107.1	163.1	-178	-86.1	0	0	0	106.6	L470 F510 D511 F512 I518 N522 N614	L470-Y520 HydrophobicContact CD2-CD2 4.29Å; L470-Y520 HydrophobicContact CD2-CE1 4.21Å; L470-Y520 HydrophobicContact CD2-CE2 3.87Å; F510-Y520 HydrophobicContact CB-CD1 3.9Å; F510-Y520 HydrophobicContact CB-CE1 3.71Å; F510-Y520 HydrophobicContact CD2-CE1 4.43Å; F510-Y520 HydrophobicContact CG-CE1 4.06Å; D511-Y520 WeakPolarHBondContact CA-O 3.34Å; F512-Y520 AromaticContact CD1-CD1 3.98Å; F512-Y520 HydrophobicContact CD1-CD1 3.98Å; F512-Y520 AromaticContact CE1-CD1 3.28Å; F512-Y520 HydrophobicContact CE1-CD1 3.28Å; F512-Y520 HydrophobicContact CE1-CE1 4.02Å; F512-Y520 AromaticContact CE1-CG 3.83Å; F512-Y520 HydrophobicContact CE1-CG 3.83Å; F512-Y520 HydrophobicContact CE2-CG 4.35Å; F512-Y520 AromaticContact CZ-CD1 3.65Å; F512-Y520 HydrophobicContact CZ-CD1 3.65Å; F512-Y520 HydrophobicContact CZ-CE1 4.43Å; F512-Y520 AromaticContact CZ-CG 3.73Å; F512-Y520 HydrophobicContact CZ-CG 3.73Å; F512-Y520 PolarHBondContact N-O 2.89Å; F512-Y520 PolarHBondContact O-N 2.84Å; I518-Y520 PolarHBondContact O-N 2.86Å; Y520-N522 HydrophobicContact CD1-CB 4.41Å; Y520-N522 HydrophobicContact CE1-CB 3.62Å; Y520-N522 PolarHBondContact OH-ND2 2.89Å; Y520-N614 WeakPolarHBondContact CA-ND2 3.23Å; Y520-N614 HydrophobicContact CD2-CB 3.86Å; Y520-N614 HydrophobicContact CE2-CB 4.41Å
521	Y	96.9	Very high	96.7	Very high	106 Å²	106	58.5 Å²	58.5	42%	0.416	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.4	169.9	-179.8	-99.7	0	0	0	108	E509 F510 D511 R523	E509-Y521 HydrophobicContact CG-CE2 4Å; E509-Y521 WeakPolarHBondContact OE1-CE2 3.18Å; E509-Y521 PolarHBondContact OE1-OH 3.26Å; F510-Y521 VanDerWaalsContact O-CA 3.31Å; F510-Y521 WeakPolarHBondContact O-CA 3.33Å; D511-Y521 HydrophobicContact CB-CD2 3.96Å; D511-Y521 HydrophobicContact CB-CE2 4.49Å; Y521-R523 PolarHBondContact OH-NE 2.71Å
522	N	96	Very high	96.7	Very high	58 Å²	58	61.3 Å²	61.3	31%	0.31	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	142.2	178.6	-160.2	2.3	0	0	0	111.8	E509 F510 Y520 V524	E509-N522 WeakPolarHBondContact CA-O 3.46Å; F510-N522 PolarHBondContact N-O 3.42Å; F510-N522 PolarHBondContact O-N 3.04Å; Y520-N522 HydrophobicContact CD1-CB 4.41Å; Y520-N522 HydrophobicContact CE1-CB 3.62Å; Y520-N522 PolarHBondContact OH-ND2 2.89Å; N522-V524 HydrophobicContact CB-CG2 4.17Å; N522-V524 WeakPolarHBondContact ND2-CG2 3.36Å
523	R	96.4	Very high	96.8	Very high	89 Å²	89	61 Å²	61	34%	0.336	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	121.9	170.9	-71.4	-176.4	169.2	-157.2	-9.6	108.7	E502 V507 E509 Y521	E502-R523 WeakPolarHBondContact OE1-CD 3.28Å; E502-R523 IonicContact OE1-CZ 2.69Å; E502-R523 IonicContact OE1-NE 3.63Å; E502-R523 IonicContact OE1-NH1 2.75Å; E502-R523 PolarHBondContact OE1-NH1 3.35Å; V507-R523 HydrophobicContact CG1-CB 4.07Å; E509-R523 HydrophobicContact CB-CG 4.18Å; E509-R523 HydrophobicContact CG-CG 4.23Å; E509-R523 IonicContact OE1-CZ 2.71Å; E509-R523 VanDerWaalsContact OE1-CZ 3.29Å; E509-R523 IonicContact OE1-NE 2.64Å; E509-R523 PolarHBondContact OE1-NE 2.77Å; E509-R523 IonicContact OE1-NH2 2.73Å; E509-R523 PolarHBondContact OE1-NH2 2.65Å; E509-R523 IonicContact OE2-NH2 3.52Å; Y521-R523 PolarHBondContact OH-NE 2.71Å
524	V	95.6	Very high	96.8	Very high	19 Å²	19	57.2 Å²	57.2	12%	0.115	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	114.2	-166.6	-177.5	0	0	0	0	110.7	L468 V508 F510 N522 V526	L468-V524 HydrophobicContact CD1-CG1 4.38Å; L468-V524 HydrophobicContact CD1-CG2 4.09Å; L468-V524 HydrophobicContact CD2-CB 4.5Å; L468-V524 HydrophobicContact CD2-CG1 3.91Å; L468-V524 HydrophobicContact CD2-CG2 3.77Å; V508-V524 PolarHBondContact N-O 3.07Å; V508-V524 PolarHBondContact O-N 3.31Å; F510-V524 HydrophobicContact CD2-CG2 4.15Å; F510-V524 HydrophobicContact CE2-CB 4.15Å; F510-V524 HydrophobicContact CE2-CG2 4.06Å; N522-V524 HydrophobicContact CB-CG2 4.17Å; N522-V524 WeakPolarHBondContact ND2-CG2 3.36Å; V524-V526 HydrophobicContact CG1-CG1 4.09Å; V524-V526 PolarHBondContact O-N 3.2Å
525	P	97.6	Very high	96.9	Very high	60 Å²	60	61.3 Å²	61.3	39%	0.39	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	125.3	163.3	-21.8	33.5	0	0	0	110.4	Q504 V507	Q504-P525 HydrophobicContact CB-CG 4.01Å; Q504-P525 HydrophobicContact CG-CG 4.34Å; V507-P525 HydrophobicContact CG2-CG 4.22Å
526	V	97.9	Very high	97.1	Very high	10 Å²	10	59.2 Å²	59.2	6%	0.061	27%	0.269	C	S	.	.			trans	-114.7	159	176.9	-55.2	0	0	0	0	111.5	Y463 F506 V508 V524 K528 V530 F531	Y463-V526 HydrophobicContact CE1-CB 4.14Å; Y463-V526 HydrophobicContact CE1-CG1 4.05Å; F506-V526 PolarHBondContact O-N 2.87Å; V508-V526 HydrophobicContact CB-CG1 4.28Å; V508-V526 HydrophobicContact CG2-CB 4.35Å; V508-V526 HydrophobicContact CG2-CG1 3.73Å; V508-V526 HydrophobicContact CG2-CG2 3.66Å; V524-V526 HydrophobicContact CG1-CG1 4.09Å; V524-V526 PolarHBondContact O-N 3.2Å; V526-K528 PolarHBondContact O-N 3.29Å; V526-V530 HydrophobicContact CB-CB 4.11Å; V526-V530 HydrophobicContact CB-CG1 4.07Å; V526-V530 HydrophobicContact CG2-CB 3.92Å; V526-V530 HydrophobicContact CG2-CG1 3.94Å; V526-F531 HydrophobicContact CG2-CB 3.83Å; V526-F531 HydrophobicContact CG2-CD2 4.39Å
527	E	97.6	Very high	97.4	Very high	64 Å²	64	56.7 Å²	56.7	30%	0.299	26%	0.256	S	S	.	.			trans	-59.2	134	176	-64.1	-177.8	-129.9	0	0	110.1	R445 W448 R529 V530 F531	R445-E527 IonicContact CZ-OE1 3.85Å; R445-E527 VanDerWaalsContact CZ-OE1 3.3Å; R445-E527 IonicContact CZ-OE2 3.03Å; R445-E527 IonicContact NE-OE1 2.9Å; R445-E527 PolarHBondContact NE-OE1 2.87Å; R445-E527 IonicContact NE-OE2 3.29Å; R445-E527 PolarHBondContact NE-OE2 2.92Å; R445-E527 IonicContact NH2-OE1 3.85Å; R445-E527 PolarHBondContact NH2-OE1 3.13Å; R445-E527 IonicContact NH2-OE2 3.27Å; W448-E527 HydrophobicContact CH2-CB 4.04Å; W448-E527 HydrophobicContact CH2-CG 4.2Å; W448-E527 HydrophobicContact CZ3-CB 3.88Å; W448-E527 HydrophobicContact CZ3-CG 4.33Å; W448-E527 WeakPolarHBondContact CZ3-OE2 3.18Å; E527-R529 CarbonylContact O-C 3.55Å; E527-R529 PolarHBondContact O-N 3.44Å; E527-V530 HydrophobicContact CB-CG2 4.33Å; E527-V530 WeakPolarHBondContact O-CA 3.49Å; E527-V530 VanDerWaalsContact O-CB 3.29Å; E527-V530 WeakPolarHBondContact O-CB 3.3Å; E527-V530 PolarHBondContact O-N 3.21Å; E527-F531 PolarHBondContact O-N 3.24Å
528	K	97.8	Very high	97.5	Very high	112 Å²	112	57.5 Å²	57.5	49%	0.487	26%	0.257	S	S	.	.	H	α-helix	trans	-47.8	-26.5	-173.5	-168.5	166.5	-162.7	141.3	0	115.4	F506 V526 K532	F506-K528 HydrophobicContact CD1-CG 4.42Å; F506-K528 HydrophobicContact CD2-CB 3.86Å; F506-K528 HydrophobicContact CD2-CD 4.29Å; F506-K528 HydrophobicContact CD2-CG 3.94Å; F506-K528 HydrophobicContact CE1-CD 4.47Å; F506-K528 HydrophobicContact CE1-CG 4.05Å; F506-K528 HydrophobicContact CE2-CB 3.85Å; F506-K528 HydrophobicContact CE2-CD 3.42Å; F506-K528 VanDerWaalsContact CE2-CD 3.42Å; F506-K528 HydrophobicContact CE2-CG 3.49Å; F506-K528 VanDerWaalsContact CE2-CG 3.49Å; F506-K528 HydrophobicContact CG-CB 4.43Å; F506-K528 HydrophobicContact CG-CG 4.42Å; F506-K528 HydrophobicContact CZ-CB 4.44Å; F506-K528 HydrophobicContact CZ-CD 3.59Å; F506-K528 HydrophobicContact CZ-CG 3.62Å; F506-K528 VanDerWaalsContact CZ-NZ 3.3Å; V526-K528 PolarHBondContact O-N 3.29Å; K528-K532 WeakPolarHBondContact O-CG 3.47Å; K528-K532 PolarHBondContact O-N 3.27Å
529	R	97.9	Very high	97.6	Very high	157 Å²	157	60.6 Å²	60.6	59%	0.592	27%	0.27	S	S	*	.	H	α-helix	trans	-76.4	-35.7	173.9	-71.3	-69.5	-178.8	173.3	-0.9	113.5	W448 E527 N533	W448-R529 HydrophobicContact CE3-CB 3.99Å; E527-R529 CarbonylContact O-C 3.55Å; E527-R529 PolarHBondContact O-N 3.44Å; R529-N533 WeakPolarHBondContact O-CB 3.47Å; R529-N533 VanDerWaalsContact O-CG 3.3Å; R529-N533 PolarHBondContact O-N 2.93Å; R529-N533 PolarHBondContact O-ND2 3.34Å
530	V	98.6	Very high	97.6	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-63.6	-51.1	171.7	179.1	0	0	0	0	109.5	W448 V460 Y463 F464 V526 E527 K532 N533 L534	W448-V530 HydrophobicContact CD2-CG2 3.98Å; W448-V530 HydrophobicContact CE3-CG2 4.14Å; W448-V530 HydrophobicContact CH2-CG2 3.5Å; W448-V530 HydrophobicContact CZ2-CG2 3.32Å; W448-V530 HydrophobicContact CZ3-CG2 3.91Å; V460-V530 HydrophobicContact CG1-CG1 3.91Å; V460-V530 HydrophobicContact CG2-CG1 4.28Å; Y463-V530 HydrophobicContact CD1-CG1 4.06Å; Y463-V530 HydrophobicContact CD1-CG2 3.96Å; Y463-V530 HydrophobicContact CE1-CB 4.39Å; Y463-V530 HydrophobicContact CE1-CG1 3.98Å; Y463-V530 HydrophobicContact CE1-CG2 3.94Å; Y463-V530 HydrophobicContact CG-CG2 4.36Å; F464-V530 HydrophobicContact CE1-CG1 4.08Å; F464-V530 HydrophobicContact CZ-CG1 4.49Å; V526-V530 HydrophobicContact CB-CB 4.11Å; V526-V530 HydrophobicContact CB-CG1 4.07Å; V526-V530 HydrophobicContact CG2-CB 3.92Å; V526-V530 HydrophobicContact CG2-CG1 3.94Å; E527-V530 HydrophobicContact CB-CG2 4.33Å; E527-V530 WeakPolarHBondContact O-CA 3.49Å; E527-V530 VanDerWaalsContact O-CB 3.29Å; E527-V530 WeakPolarHBondContact O-CB 3.3Å; E527-V530 PolarHBondContact O-N 3.21Å; V530-K532 PolarHBondContact O-N 3.35Å; V530-N533 CarbonylContact O-C 3.57Å; V530-N533 PolarHBondContact O-N 2.91Å; V530-L534 HydrophobicContact CG1-CD1 4.07Å; V530-L534 HydrophobicContact CG1-CG 4.4Å; V530-L534 WeakPolarHBondContact O-CG 3.23Å; V530-L534 PolarHBondContact O-N 3.15Å
531	F	98.6	Very high	97.6	Very high	4 Å²	4	62.9 Å²	62.9	2%	0.018	29%	0.292	C	S	.	.	H	α-helix	trans	-55.5	-50.9	179.2	-169.5	-83.7	0	0	0	112.2	L497 H498 P499 F506 V508 V526 E527 N533 L534 Q535	L497-F531 HydrophobicContact CB-CE1 4.48Å; L497-F531 HydrophobicContact CB-CE2 3.88Å; L497-F531 HydrophobicContact CB-CZ 3.73Å; L497-F531 HydrophobicContact CD2-CE2 4.46Å; H498-F531 WeakPolarHBondContact O-CE2 3.21Å; P499-F531 HydrophobicContact CB-CZ 4.46Å; P499-F531 HydrophobicContact CG-CZ 4.21Å; F506-F531 HydrophobicContact CB-CB 3.88Å; F506-F531 HydrophobicContact CB-CD2 3.74Å; F506-F531 HydrophobicContact CB-CE2 4.47Å; F506-F531 HydrophobicContact CB-CG 3.89Å; F506-F531 HydrophobicContact CD1-CB 4.04Å; F506-F531 AromaticContact CD1-CD1 3.79Å; F506-F531 HydrophobicContact CD1-CD1 3.79Å; F506-F531 HydrophobicContact CD1-CD2 4.2Å; F506-F531 HydrophobicContact CD1-CE1 4.27Å; F506-F531 AromaticContact CD1-CG 3.74Å; F506-F531 HydrophobicContact CD1-CG 3.74Å; F506-F531 HydrophobicContact CG-CB 4.2Å; F506-F531 HydrophobicContact CG-CD2 4.47Å; F506-F531 HydrophobicContact CG-CG 4.22Å; V508-F531 HydrophobicContact CG2-CD2 4.33Å; V526-F531 HydrophobicContact CG2-CB 3.83Å; V526-F531 HydrophobicContact CG2-CD2 4.39Å; E527-F531 PolarHBondContact O-N 3.24Å; F531-N533 VanDerWaalsContact C-N 3.29Å; F531-N533 PolarHBondContact O-N 3.27Å; F531-L534 WeakPolarHBondContact O-CB 3.44Å; F531-L534 PolarHBondContact O-N 2.71Å; F531-L534 VanDerWaalsContact O-N 3.13Å; F531-Q535 HydrophobicContact CD1-CG 4.25Å; F531-Q535 HydrophobicContact CE1-CG 4.12Å; F531-Q535 PolarHBondContact O-N 2.85Å; F531-Q535 VanDerWaalsContact O-N 3.07Å
532	K	98.3	Very high	97.7	Very high	118 Å²	118	63.9 Å²	63.9	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-64.7	-29.6	177.1	-72.8	-161.6	171.3	-151.2	0	113.9	K528 V530 L536	K528-K532 WeakPolarHBondContact O-CG 3.47Å; K528-K532 PolarHBondContact O-N 3.27Å; V530-K532 PolarHBondContact O-N 3.35Å; K532-L536 WeakPolarHBondContact O-CG 3.39Å; K532-L536 PolarHBondContact O-N 3.39Å
533	N	98.6	Very high	97.8	Very high	6 Å²	6	64.5 Å²	64.5	3%	0.032	31%	0.307	C	S	.	.	H	α-helix	trans	-72.7	-37.2	172.6	-80.8	-23.7	0	0	0	111.6	W448 R456 V460 R529 V530 F531 Q535 L536 F537	W448-N533 PolarHBondContact O-ND2 3.34Å; R456-N533 WeakPolarHBondContact CD-OD1 3.39Å; R456-N533 PolarHBondContact NH1-OD1 3.04Å; V460-N533 HydrophobicContact CG2-CB 4.28Å; R529-N533 WeakPolarHBondContact O-CB 3.47Å; R529-N533 VanDerWaalsContact O-CG 3.3Å; R529-N533 PolarHBondContact O-N 2.93Å; R529-N533 PolarHBondContact O-ND2 3.34Å; V530-N533 CarbonylContact O-C 3.57Å; V530-N533 PolarHBondContact O-N 2.91Å; F531-N533 VanDerWaalsContact C-N 3.29Å; F531-N533 PolarHBondContact O-N 3.27Å; N533-Q535 VanDerWaalsContact C-N 3.33Å; N533-Q535 PolarHBondContact O-N 3.07Å; N533-L536 CarbonylContact O-C 3.55Å; N533-L536 WeakPolarHBondContact O-CB 3.35Å; N533-L536 PolarHBondContact O-N 2.86Å; N533-L536 VanDerWaalsContact O-N 3.15Å; N533-F537 HydrophobicContact CB-CE1 4.04Å; N533-F537 HydrophobicContact CB-CE2 4.23Å; N533-F537 HydrophobicContact CB-CZ 3.74Å; N533-F537 WeakPolarHBondContact O-CD1 3.46Å; N533-F537 WeakPolarHBondContact O-CE1 3.29Å; N533-F537 WeakPolarHBondContact O-CG 3.36Å; N533-F537 PolarHBondContact O-N 3.15Å
534	L	98.6	Very high	97.7	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-61.4	-41.2	173.6	-65.9	165.4	0	0	0	111.7	V460 F464 L495 L497 V508 V530 F531 L536 F537 M538 L547	V460-L534 HydrophobicContact CG1-CD2 4.02Å; F464-L534 HydrophobicContact CE2-CD2 4.13Å; F464-L534 HydrophobicContact CZ-CD1 3.92Å; F464-L534 HydrophobicContact CZ-CD2 3.81Å; F464-L534 HydrophobicContact CZ-CG 4.4Å; L495-L534 HydrophobicContact CD2-CD1 4.42Å; L495-L534 HydrophobicContact CD2-CD2 3.97Å; L497-L534 HydrophobicContact CD1-CB 3.82Å; L497-L534 HydrophobicContact CD2-CB 3.93Å; L497-L534 HydrophobicContact CD2-CD1 3.88Å; V508-L534 HydrophobicContact CG1-CD1 4.37Å; V508-L534 HydrophobicContact CG2-CD1 3.57Å; V530-L534 HydrophobicContact CG1-CD1 4.07Å; V530-L534 HydrophobicContact CG1-CG 4.4Å; V530-L534 WeakPolarHBondContact O-CG 3.23Å; V530-L534 PolarHBondContact O-N 3.15Å; F531-L534 WeakPolarHBondContact O-CB 3.44Å; F531-L534 PolarHBondContact O-N 2.71Å; F531-L534 VanDerWaalsContact O-N 3.13Å; L534-L536 VanDerWaalsContact C-N 3.3Å; L534-L536 PolarHBondContact O-N 2.71Å; L534-F537 HydrophobicContact CD2-CD2 4.11Å; L534-F537 PolarHBondContact O-N 3.05Å; L534-M538 WeakPolarHBondContact O-CG 3.25Å; L534-M538 PolarHBondContact O-N 2.69Å; L534-M538 VanDerWaalsContact O-N 3.07Å; L534-L547 HydrophobicContact CD2-CD1 4.47Å; L534-L547 HydrophobicContact CD2-CD2 4.08Å
535	Q	98.2	Very high	97.8	Very high	91 Å²	91	68.1 Å²	68.1	43%	0.425	33%	0.333	S	S	.	.	H	α-helix	trans	-55.6	-45.3	172.5	-64.7	-178.5	-71.8	0	0	111.6	L497 F531 N533 F537 M538 E539	L497-Q535 HydrophobicContact CD1-CB 4.4Å; L497-Q535 HydrophobicContact CD1-CG 3.66Å; F531-Q535 HydrophobicContact CD1-CG 4.25Å; F531-Q535 HydrophobicContact CE1-CG 4.12Å; F531-Q535 PolarHBondContact O-N 2.85Å; F531-Q535 VanDerWaalsContact O-N 3.07Å; N533-Q535 VanDerWaalsContact C-N 3.33Å; N533-Q535 PolarHBondContact O-N 3.07Å; Q535-F537 VanDerWaalsContact C-N 3.29Å; Q535-F537 PolarHBondContact O-N 3.49Å; Q535-M538 PolarHBondContact O-N 3.08Å; Q535-E539 PolarHBondContact O-N 3.32Å
536	L	98.1	Very high	97.8	Very high	68 Å²	68	68.5 Å²	68.5	36%	0.356	33%	0.332	S	S	.	.	H	α-helix	trans	-71	-18.2	175.6	-65.3	169.9	0	0	0	114.1	M453 K532 N533 L534 E539	M453-L536 HydrophobicContact CE-CB 4.4Å; K532-L536 WeakPolarHBondContact O-CG 3.39Å; K532-L536 PolarHBondContact O-N 3.39Å; N533-L536 CarbonylContact O-C 3.55Å; N533-L536 WeakPolarHBondContact O-CB 3.35Å; N533-L536 PolarHBondContact O-N 2.86Å; N533-L536 VanDerWaalsContact O-N 3.15Å; L534-L536 VanDerWaalsContact C-N 3.3Å; L534-L536 PolarHBondContact O-N 2.71Å; L536-E539 WeakPolarHBondContact CD2-OE2 3.23Å
537	F	98.4	Very high	97.9	Very high	1 Å²	1	68 Å²	68	0%	0.004	33%	0.329	C	S	.	.	H	α-helix	trans	-87.7	-17.9	177.1	-62.1	-10.4	0	0	0	112.7	M453 R456 Q457 V460 N533 L534 Q535 K541 L547 F548	M453-F537 HydrophobicContact CE-CD1 4.38Å; M453-F537 HydrophobicContact SD-CD1 3.56Å; M453-F537 VanDerWaalsContact SD-CD1 3.56Å; M453-F537 HydrophobicContact SD-CE1 3.46Å; M453-F537 WeakPolarHBondContact SD-CE1 3.47Å; R456-F537 HydrophobicContact CB-CE1 4.01Å; R456-F537 HydrophobicContact CB-CZ 3.88Å; Q457-F537 HydrophobicContact CB-CZ 4.34Å; Q457-F537 HydrophobicContact CG-CD1 3.9Å; Q457-F537 HydrophobicContact CG-CD2 4.25Å; Q457-F537 HydrophobicContact CG-CE1 3.66Å; Q457-F537 HydrophobicContact CG-CE2 4.03Å; Q457-F537 HydrophobicContact CG-CG 4.22Å; Q457-F537 HydrophobicContact CG-CZ 3.73Å; V460-F537 HydrophobicContact CB-CE2 3.81Å; V460-F537 HydrophobicContact CB-CZ 4.35Å; V460-F537 HydrophobicContact CG1-CE2 4Å; V460-F537 HydrophobicContact CG2-CE2 3.85Å; V460-F537 HydrophobicContact CG2-CZ 4.02Å; N533-F537 HydrophobicContact CB-CE1 4.04Å; N533-F537 HydrophobicContact CB-CE2 4.23Å; N533-F537 HydrophobicContact CB-CZ 3.74Å; N533-F537 WeakPolarHBondContact O-CD1 3.46Å; N533-F537 WeakPolarHBondContact O-CE1 3.29Å; N533-F537 WeakPolarHBondContact O-CG 3.36Å; N533-F537 PolarHBondContact O-N 3.15Å; L534-F537 HydrophobicContact CD2-CD2 4.11Å; L534-F537 PolarHBondContact O-N 3.05Å; Q535-F537 VanDerWaalsContact C-N 3.29Å; Q535-F537 PolarHBondContact O-N 3.49Å; F537-K541 VanDerWaalsContact O-CD 3.28Å; F537-K541 WeakPolarHBondContact O-CD 3.36Å; F537-K541 VanDerWaalsContact O-CE 3.3Å; F537-K541 WeakPolarHBondContact O-CE 3.19Å; F537-K541 PolarHBondContact O-NZ 2.93Å; F537-L547 HydrophobicContact CB-CD1 3.82Å; F537-L547 HydrophobicContact CB-CG 4.41Å; F537-F548 HydrophobicContact CD2-CD1 4.12Å; F537-F548 AromaticContact CD2-CE1 3.83Å; F537-F548 HydrophobicContact CD2-CE1 3.83Å; F537-F548 HydrophobicContact CE2-CD1 4.2Å; F537-F548 AromaticContact CE2-CE1 3.76Å; F537-F548 HydrophobicContact CE2-CE1 3.76Å
538	M	98.1	Very high	97.9	Very high	43 Å²	43	65 Å²	65	21%	0.212	32%	0.315	C	S	.	.	S	Bend	trans	-103.8	0.9	176.8	-60	167.2	78.2	0	0	112	V492 L495 L497 L534 Q535 L547	V492-M538 HydrophobicContact CG1-CB 4.38Å; V492-M538 HydrophobicContact CG1-CE 3.74Å; V492-M538 HydrophobicContact CG1-CG 4.24Å; V492-M538 HydrophobicContact CG2-CG 4.32Å; L495-M538 WeakPolarHBondContact O-CE 3.14Å; L497-M538 HydrophobicContact CD1-SD 3.61Å; L497-M538 HydrophobicContact CD2-SD 4.49Å; L497-M538 HydrophobicContact CG-SD 3.9Å; L534-M538 WeakPolarHBondContact O-CG 3.25Å; L534-M538 PolarHBondContact O-N 2.69Å; L534-M538 VanDerWaalsContact O-N 3.07Å; Q535-M538 PolarHBondContact O-N 3.08Å; M538-L547 HydrophobicContact CG-CD1 3.46Å; M538-L547 VanDerWaalsContact CG-CD1 3.46Å; M538-L547 HydrophobicContact SD-CD1 4.22Å
539	E	96.4	Very high	97.8	Very high	114 Å²	114	63.2 Å²	63.2	53%	0.533	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	125.4	-177.7	-160.2	-174.7	172.3	0	0	110.9	Q535 L536	Q535-E539 PolarHBondContact O-N 3.32Å; L536-E539 WeakPolarHBondContact CD2-OE2 3.23Å
540	N	96.5	Very high	97.8	Very high	156 Å²	156	62.5 Å²	62.5	83%	0.834	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	48.1	-175.3	-45.8	-70.4	0	0	0	113.6
541	K	98.1	Very high	97.7	Very high	44 Å²	44	63 Å²	63	19%	0.191	31%	0.31	C	S	.	.			trans	-135.2	149.2	175.8	-75.4	-173.8	-176.6	173.7	0	111.7	V492 F537 D545 D546 L547 D549	V492-K541 HydrophobicContact CG2-CB 3.98Å; V492-K541 HydrophobicContact CG2-CD 3.98Å; F537-K541 VanDerWaalsContact O-CD 3.28Å; F537-K541 WeakPolarHBondContact O-CD 3.36Å; F537-K541 VanDerWaalsContact O-CE 3.3Å; F537-K541 WeakPolarHBondContact O-CE 3.19Å; F537-K541 PolarHBondContact O-NZ 2.93Å; K541-D545 VanDerWaalsContact CA-OD2 3.29Å; K541-D545 WeakPolarHBondContact CA-OD2 3.36Å; K541-D545 HydrophobicContact CB-CB 3.9Å; K541-D545 WeakPolarHBondContact CB-OD2 3.45Å; K541-D545 HydrophobicContact CD-CB 3.89Å; K541-D545 HydrophobicContact CG-CB 4.02Å; K541-D546 PolarHBondContact NZ-O 2.84Å; K541-L547 PolarHBondContact NZ-O 3.24Å; K541-D549 IonicContact NZ-OD1 2.68Å; K541-D549 PolarHBondContact NZ-OD1 3.14Å
542	E	97.9	Very high	97.6	Very high	128 Å²	128	65 Å²	65	60%	0.598	32%	0.321	S	S	*	.			trans	-84.3	166.4	172	-64.4	-55.4	146.2	0	0	111.2	V492 D544 D545	V492-E542 WeakPolarHBondContact CB-O 3.09Å; E542-D544 WeakPolarHBondContact CB-OD1 3.47Å; E542-D544 PolarHBondContact O-N 3.3Å; E542-D545 PolarHBondContact N-OD2 2.85Å; E542-D545 PolarHBondContact O-N 2.77Å
543	P	97.7	Very high	97.4	Very high	70 Å²	70	60 Å²	60	46%	0.455	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.1	-175	-24.4	35.4	0	0	0	114.4	V492 E493	V492-P543 PolarHBondContact N-O 2.79Å; E493-P543 HydrophobicContact CB-CB 3.99Å; E493-P543 WeakPolarHBondContact CB-O 3.46Å; E493-P543 PolarHBondContact N-O 3.4Å
544	D	96.1	Very high	97.3	Very high	115 Å²	115	63.9 Å²	63.9	62%	0.615	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-9.4	-179.2	57.3	-41.5	0	0	0	114.3	R491 E542	R491-D544 WeakPolarHBondContact CD-O 3.49Å; R491-D544 WeakPolarHBondContact CG-O 3.22Å; E542-D544 WeakPolarHBondContact CB-OD1 3.47Å; E542-D544 PolarHBondContact O-N 3.3Å
545	D	97.6	Very high	97.2	Very high	70 Å²	70	66 Å²	66	37%	0.374	34%	0.339	S	S	.	.	S	Bend	trans	-65.2	145.9	172.9	-83.2	-49.1	0	0	0	112.2	R491 V492 K541 E542 L547	R491-D545 CarbonylContact C-O 3.38Å; R491-D545 WeakPolarHBondContact CA-O 3.49Å; R491-D545 WeakPolarHBondContact CB-O 3.43Å; V492-D545 HydrophobicContact CG2-CB 4.39Å; V492-D545 PolarHBondContact N-O 3.14Å; K541-D545 VanDerWaalsContact CA-OD2 3.29Å; K541-D545 WeakPolarHBondContact CA-OD2 3.36Å; K541-D545 HydrophobicContact CB-CB 3.9Å; K541-D545 WeakPolarHBondContact CB-OD2 3.45Å; K541-D545 HydrophobicContact CD-CB 3.89Å; K541-D545 HydrophobicContact CG-CB 4.02Å; E542-D545 PolarHBondContact N-OD2 2.85Å; E542-D545 PolarHBondContact O-N 2.77Å; D545-L547 PolarHBondContact O-N 2.86Å
546	D	97.8	Very high	97.2	Very high	68 Å²	68	61.7 Å²	61.7	36%	0.364	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-63.7	124.7	170.7	-94.8	-45	0	0	0	111.6	K541 F548 D549	K541-D546 PolarHBondContact NZ-O 2.84Å; D546-F548 PolarHBondContact O-N 2.98Å; D546-D549 PolarHBondContact O-N 3.41Å
547	L	98.3	Very high	97.1	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-33.8	173	-178.3	67.5	0	0	0	111.5	L490 L495 L534 F537 M538 K541 D545	L490-L547 HydrophobicContact CB-CB 4.47Å; L490-L547 HydrophobicContact CB-CD2 4.35Å; L490-L547 WeakPolarHBondContact O-CA 3.29Å; L490-L547 WeakPolarHBondContact O-CB 3.39Å; L490-L547 PolarHBondContact O-N 3.04Å; L495-L547 HydrophobicContact CD1-CD2 4.03Å; L495-L547 HydrophobicContact CD2-CD2 3.69Å; L495-L547 HydrophobicContact CG-CD2 4.48Å; L534-L547 HydrophobicContact CD2-CD1 4.47Å; L534-L547 HydrophobicContact CD2-CD2 4.08Å; F537-L547 HydrophobicContact CB-CD1 3.82Å; F537-L547 HydrophobicContact CB-CG 4.41Å; M538-L547 HydrophobicContact CG-CD1 3.46Å; M538-L547 VanDerWaalsContact CG-CD1 3.46Å; M538-L547 HydrophobicContact SD-CD1 4.22Å; K541-L547 PolarHBondContact NZ-O 3.24Å; D545-L547 PolarHBondContact O-N 2.86Å
548	F	98.2	Very high	97	Very high	1 Å²	1	67 Å²	67	0%	0.004	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	52.6	-175.9	-58.6	-67.5	0	0	0	112.7	Q457 V460 A461 F464 C487 L490 F537 D546 R550 L551	Q457-F548 HydrophobicContact CB-CD1 3.8Å; Q457-F548 HydrophobicContact CG-CD1 3.98Å; V460-F548 HydrophobicContact CB-CE1 4.21Å; V460-F548 HydrophobicContact CG1-CE1 3.99Å; V460-F548 HydrophobicContact CG1-CZ 4.08Å; A461-F548 HydrophobicContact CB-CE1 4.28Å; A461-F548 HydrophobicContact CB-CE2 4.23Å; A461-F548 HydrophobicContact CB-CZ 4.06Å; F464-F548 HydrophobicContact CD2-CE2 4.49Å; F464-F548 HydrophobicContact CD2-CZ 4.08Å; F464-F548 HydrophobicContact CE2-CE2 4.47Å; F464-F548 AromaticContact CE2-CZ 3.88Å; F464-F548 HydrophobicContact CE2-CZ 3.88Å; C487-F548 WeakPolarHBondContact O-CD2 3.28Å; C487-F548 WeakPolarHBondContact O-CE2 3.3Å; L490-F548 HydrophobicContact CD1-CE2 4.32Å; F537-F548 HydrophobicContact CD2-CD1 4.12Å; F537-F548 AromaticContact CD2-CE1 3.83Å; F537-F548 HydrophobicContact CD2-CE1 3.83Å; F537-F548 HydrophobicContact CE2-CD1 4.2Å; F537-F548 AromaticContact CE2-CE1 3.76Å; F537-F548 HydrophobicContact CE2-CE1 3.76Å; D546-F548 PolarHBondContact O-N 2.98Å; F548-R550 PolarHBondContact O-N 3.14Å; F548-L551 HydrophobicContact CB-CB 3.97Å; F548-L551 HydrophobicContact CB-CD2 4.24Å; F548-L551 HydrophobicContact CG-CD2 4.39Å; F548-L551 PolarHBondContact O-N 3.36Å
549	D	96.8	Very high	96.9	Very high	74 Å²	74	66 Å²	66	40%	0.396	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-14	-175.7	60	-73.9	0	0	0	117.7	Q457 K541 D546	Q457-D549 PolarHBondContact NE2-OD1 2.97Å; K541-D549 IonicContact NZ-OD1 2.68Å; K541-D549 PolarHBondContact NZ-OD1 3.14Å; D546-D549 PolarHBondContact O-N 3.41Å
550	R	96.8	Very high	96.9	Very high	141 Å²	141	60.6 Å²	60.6	53%	0.532	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.5	13.1	-179.5	-40.1	-168.2	-173.2	-161.9	-3.3	113.3	R454 Q457 F548	R454-R550 HydrophobicContact CB-CB 4.06Å; R454-R550 HydrophobicContact CG-CB 4.15Å; Q457-R550 VanDerWaalsContact OE1-N 3.08Å; F548-R550 PolarHBondContact O-N 3.14Å
551	L	97.1	Very high	96.8	Very high	12 Å²	12	57 Å²	57	6%	0.063	29%	0.288	C	S	.	.			trans	-129.6	136.7	-174.9	-174.2	69.3	0	0	0	110.8	R458 A461 F548 I555 L556	R458-L551 HydrophobicContact CB-CD1 3.97Å; R458-L551 HydrophobicContact CG-CD1 4.23Å; A461-L551 HydrophobicContact CB-CD2 3.43Å; A461-L551 VanDerWaalsContact CB-CD2 3.43Å; F548-L551 HydrophobicContact CB-CB 3.97Å; F548-L551 HydrophobicContact CB-CD2 4.24Å; F548-L551 HydrophobicContact CG-CD2 4.39Å; F548-L551 PolarHBondContact O-N 3.36Å; L551-I555 HydrophobicContact CD1-CB 4.31Å; L551-I555 HydrophobicContact CD1-CG2 3.94Å; L551-L556 HydrophobicContact CD1-CB 4.23Å
552	N	95.8	Very high	96.7	Very high	45 Å²	45	60.8 Å²	60.8	24%	0.241	31%	0.307	C	S	.	.			trans	-137	175.1	160.9	60.9	30.3	0	0	0	110.3	E475 S554 I555 L556	E475-N552 WeakPolarHBondContact OE1-CB 3.38Å; N552-S554 PolarHBondContact O-N 2.91Å; N552-S554 WeakPolarHBondContact OD1-CB 3.33Å; N552-S554 PolarHBondContact OD1-N 3.19Å; N552-I555 PolarHBondContact O-N 3.02Å; N552-I555 VanDerWaalsContact O-N 3.17Å; N552-I555 VanDerWaalsContact OD1-CG1 3.31Å; N552-I555 WeakPolarHBondContact OD1-CG1 3.27Å; N552-I555 PolarHBondContact OD1-N 3.12Å; N552-L556 PolarHBondContact O-N 3.13Å
553	T	95.4	Very high	96.5	Very high	12 Å²	12	56 Å²	56	7%	0.074	29%	0.285	C	S	.	.	H	α-helix	trans	-65.9	-26.9	-175.5	62.9	0	0	0	0	112.9	A472 G473 N474 C488 N557	A472-T553 HydrophobicContact CB-CG2 3.73Å; G473-T553 VanDerWaalsContact C-CG2 3.44Å; G473-T553 WeakPolarHBondContact O-CG2 3.19Å; N474-T553 WeakPolarHBondContact OD1-CG2 3.38Å; N474-T553 PolarHBondContact OD1-OG1 3.34Å; C488-T553 HydrophobicContact CB-CG2 3.94Å; T553-N557 VanDerWaalsContact O-CB 3.26Å; T553-N557 WeakPolarHBondContact O-CB 3.4Å; T553-N557 VanDerWaalsContact O-CG 3.31Å; T553-N557 PolarHBondContact O-N 3.12Å; T553-N557 PolarHBondContact O-ND2 3.42Å
554	S	96.4	Very high	96.3	Very high	88 Å²	88	53.9 Å²	53.9	62%	0.615	27%	0.269	S	S	*	.	H	α-helix	trans	-66.4	-46	173.1	-63.4	0	0	0	0	111.4	N552 K558	N552-S554 PolarHBondContact O-N 2.91Å; N552-S554 WeakPolarHBondContact OD1-CB 3.33Å; N552-S554 PolarHBondContact OD1-N 3.19Å; S554-K558 WeakPolarHBondContact O-CB 3.38Å; S554-K558 PolarHBondContact O-N 2.87Å
555	I	96	Very high	96.2	Very high	45 Å²	45	53.8 Å²	53.8	23%	0.231	27%	0.269	C	S	.	.	H	α-helix	trans	-61.3	-46.5	175	-66.8	165.5	0	0	0	110.8	L551 N552 H559	L551-I555 HydrophobicContact CD1-CB 4.31Å; L551-I555 HydrophobicContact CD1-CG2 3.94Å; N552-I555 PolarHBondContact O-N 3.02Å; N552-I555 VanDerWaalsContact O-N 3.17Å; N552-I555 VanDerWaalsContact OD1-CG1 3.31Å; N552-I555 WeakPolarHBondContact OD1-CG1 3.27Å; N552-I555 PolarHBondContact OD1-N 3.12Å; I555-H559 PolarHBondContact O-N 3.3Å
556	L	96.8	Very high	95.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-48.7	179.3	-179.9	62.9	0	0	0	112	R458 L462 I465 L551 N552 K558 H559 L560 A569	R458-L556 HydrophobicContact CG-CD1 4.1Å; L462-L556 HydrophobicContact CB-CD1 4.4Å; I465-L556 HydrophobicContact CD1-CD2 3.51Å; L551-L556 HydrophobicContact CD1-CB 4.23Å; N552-L556 PolarHBondContact O-N 3.13Å; L556-K558 PolarHBondContact O-N 3.07Å; L556-H559 PolarHBondContact O-N 3.48Å; L556-L560 HydrophobicContact CD1-CD1 4.45Å; L556-L560 HydrophobicContact CD1-CG 4.46Å; L556-L560 HydrophobicContact CG-CD1 4.19Å; L556-L560 WeakPolarHBondContact O-CG 3.37Å; L556-L560 PolarHBondContact O-N 3.13Å; L556-A569 HydrophobicContact CD2-CB 4.2Å
557	N	96.5	Very high	95.8	Very high	39 Å²	39	48.9 Å²	48.9	21%	0.209	25%	0.251	C	S	.	.	H	α-helix	trans	-69.5	-32.2	-177.5	-73.2	-59.6	0	0	0	112.4	T553 L560 Q561 T568 A569	T553-N557 VanDerWaalsContact O-CB 3.26Å; T553-N557 WeakPolarHBondContact O-CB 3.4Å; T553-N557 VanDerWaalsContact O-CG 3.31Å; T553-N557 PolarHBondContact O-N 3.12Å; T553-N557 PolarHBondContact O-ND2 3.42Å; N557-L560 PolarHBondContact O-N 3.18Å; N557-Q561 PolarHBondContact O-N 2.76Å; N557-T568 HydrophobicContact CB-CG2 4.14Å; N557-T568 WeakPolarHBondContact OD1-CA 3.3Å; N557-T568 WeakPolarHBondContact OD1-CB 3.38Å; N557-T568 WeakPolarHBondContact OD1-CG2 3.35Å; N557-A569 PolarHBondContact OD1-N 3.25Å
558	K	96.9	Very high	95.8	Very high	143 Å²	143	50.1 Å²	50.1	62%	0.622	26%	0.259	S	S	*	.	H	α-helix	trans	-59.6	-49.3	171.3	-178.4	178.8	175	-178.6	0	110.8	S554 L556 L560 Q561 E562	S554-K558 WeakPolarHBondContact O-CB 3.38Å; S554-K558 PolarHBondContact O-N 2.87Å; L556-K558 PolarHBondContact O-N 3.07Å; K558-L560 VanDerWaalsContact C-N 3.31Å; K558-L560 PolarHBondContact O-N 3.48Å; K558-Q561 WeakPolarHBondContact O-CB 3.43Å; K558-Q561 PolarHBondContact O-N 3.21Å; K558-E562 WeakPolarHBondContact CE-OE1 3.46Å; K558-E562 WeakPolarHBondContact O-CG 3.5Å; K558-E562 PolarHBondContact O-N 3.49Å; K558-E562 VanDerWaalsContact O-N 3.09Å
559	H	95.8	Very high	95.7	Very high	22 Å²	22	50.1 Å²	50.1	10%	0.102	26%	0.259	C	S	.	.	H	α-helix	trans	-63.8	-35.5	178.2	-177.6	52.1	0	0	0	113.2	R458 I555 L556 E562 L563	R458-H559 VanDerWaalsContact CD-CD2 3.42Å; R458-H559 WeakPolarHBondContact CD-CD2 3.28Å; R458-H559 VanDerWaalsContact CZ-CD2 3.42Å; R458-H559 VanDerWaalsContact CZ-NE2 3.31Å; R458-H559 PolarHBondContact NE-CD2 3.15Å; R458-H559 VanDerWaalsContact NE-CD2 3.28Å; R458-H559 PolarHBondContact NH1-ND1 3.07Å; R458-H559 PolarHBondContact NH2-NE2 3.02Å; I555-H559 PolarHBondContact O-N 3.3Å; L556-H559 PolarHBondContact O-N 3.48Å; H559-E562 WeakPolarHBondContact CA-OE2 3.35Å; H559-E562 IonicContact ND1-OE2 4Å; H559-E562 PolarHBondContact ND1-OE2 3.22Å; H559-E562 WeakPolarHBondContact O-CB 3.46Å; H559-E562 PolarHBondContact O-N 3.18Å; H559-L563 WeakPolarHBondContact O-CG 3.4Å; H559-L563 PolarHBondContact O-N 2.98Å
560	L	96	Very high	95.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65.1	-41.8	174.5	-72.5	178.1	0	0	0	112.3	L440 L462 L556 N557 K558 E562 L563 M564 L567 A569 F572	L440-L560 HydrophobicContact CD2-CD2 4.38Å; L462-L560 HydrophobicContact CD1-CD2 3.86Å; L462-L560 HydrophobicContact CD2-CD2 4Å; L556-L560 HydrophobicContact CD1-CD1 4.45Å; L556-L560 HydrophobicContact CD1-CG 4.46Å; L556-L560 HydrophobicContact CG-CD1 4.19Å; L556-L560 WeakPolarHBondContact O-CG 3.37Å; L556-L560 PolarHBondContact O-N 3.13Å; N557-L560 PolarHBondContact O-N 3.18Å; K558-L560 VanDerWaalsContact C-N 3.31Å; K558-L560 PolarHBondContact O-N 3.48Å; L560-E562 VanDerWaalsContact C-N 3.31Å; L560-E562 PolarHBondContact O-N 2.72Å; L560-L563 HydrophobicContact CD2-CD1 4.5Å; L560-L563 PolarHBondContact O-N 3.47Å; L560-M564 PolarHBondContact O-N 2.92Å; L560-M564 VanDerWaalsContact O-N 3.11Å; L560-L567 HydrophobicContact CB-CB 4.31Å; L560-L567 HydrophobicContact CB-CD2 4.23Å; L560-L567 HydrophobicContact CB-CG 4.01Å; L560-L567 WeakPolarHBondContact CB-O 3.23Å; L560-L567 HydrophobicContact CD2-CD2 3.91Å; L560-L567 HydrophobicContact CD2-CG 4.3Å; L560-L567 WeakPolarHBondContact O-CB 3.36Å; L560-A569 HydrophobicContact CD1-CB 4.32Å; L560-F572 HydrophobicContact CD1-CE2 4.19Å; L560-F572 HydrophobicContact CD2-CE2 3.88Å; L560-F572 HydrophobicContact CD2-CZ 4.32Å
561	Q	95	Very high	95.7	Very high	80 Å²	80	47.5 Å²	47.5	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-59.9	-40.3	174	-178.3	74.2	31.7	0	0	111.7	N557 K558 L563 M564 D565 L567	N557-Q561 PolarHBondContact O-N 2.76Å; K558-Q561 WeakPolarHBondContact O-CB 3.43Å; K558-Q561 PolarHBondContact O-N 3.21Å; Q561-L563 PolarHBondContact O-N 3.05Å; Q561-M564 CarbonylContact O-C 3.16Å; Q561-M564 PolarHBondContact O-N 2.99Å; Q561-D565 PolarHBondContact NE2-OD1 3.11Å; Q561-L567 PolarHBondContact N-O 3.21Å
562	E	95.1	Very high	95.7	Very high	124 Å²	124	47 Å²	47	58%	0.579	25%	0.246	S	C	*	.	H	α-helix	trans	-61.3	-26.1	174.3	-66.5	160.7	-177.7	0	0	112.8	K558 H559 L560	K558-E562 WeakPolarHBondContact CE-OE1 3.46Å; K558-E562 WeakPolarHBondContact O-CG 3.5Å; K558-E562 PolarHBondContact O-N 3.49Å; K558-E562 VanDerWaalsContact O-N 3.09Å; H559-E562 WeakPolarHBondContact CA-OE2 3.35Å; H559-E562 IonicContact ND1-OE2 4Å; H559-E562 PolarHBondContact ND1-OE2 3.22Å; H559-E562 WeakPolarHBondContact O-CB 3.46Å; H559-E562 PolarHBondContact O-N 3.18Å; L560-E562 VanDerWaalsContact C-N 3.31Å; L560-E562 PolarHBondContact O-N 2.72Å
563	L	93.6	Very high	95.8	Very high	27 Å²	27	45.5 Å²	45.5	14%	0.141	24%	0.237	C	C	.	.	H	α-helix	trans	-88.9	-27.1	179.1	-68.9	171.5	0	0	0	114	R439 L440 H559 L560 Q561	R439-L563 PolarHBondContact NH2-O 3.01Å; L440-L563 HydrophobicContact CD2-CB 4.05Å; L440-L563 HydrophobicContact CD2-CD1 3.81Å; L440-L563 HydrophobicContact CG-CB 4.32Å; L440-L563 HydrophobicContact CG-CD1 4.05Å; H559-L563 WeakPolarHBondContact O-CG 3.4Å; H559-L563 PolarHBondContact O-N 2.98Å; L560-L563 HydrophobicContact CD2-CD1 4.5Å; L560-L563 PolarHBondContact O-N 3.47Å; Q561-L563 PolarHBondContact O-N 3.05Å
564	M	94.5	Very high	95.9	Very high	25 Å²	25	45.4 Å²	45.4	12%	0.123	24%	0.236	C	C	.	.	S	Bend	trans	-166.5	134.4	173.8	-179.6	-173.3	96.8	0	0	111.6	T429 R432 L433 C436 L560 Q561 G566 L567	T429-M564 HydrophobicContact CG2-CE 3.93Å; T429-M564 WeakPolarHBondContact O-CE 3.3Å; R432-M564 VanDerWaalsContact C-SD 3.57Å; R432-M564 HydrophobicContact CB-CE 3.91Å; R432-M564 HydrophobicContact CB-SD 3.76Å; L433-M564 HydrophobicContact CB-CE 4.26Å; C436-M564 VanDerWaalsContact SG-SD 3.68Å; L560-M564 PolarHBondContact O-N 2.92Å; L560-M564 VanDerWaalsContact O-N 3.11Å; Q561-M564 CarbonylContact O-C 3.16Å; Q561-M564 PolarHBondContact O-N 2.99Å; M564-G566 PolarHBondContact O-N 3.47Å; M564-L567 HydrophobicContact CB-CB 4.02Å; M564-L567 HydrophobicContact CB-CD2 4.16Å; M564-L567 HydrophobicContact CE-CB 4.08Å; M564-L567 HydrophobicContact CE-CD1 4.04Å; M564-L567 WeakPolarHBondContact O-CB 3.41Å; M564-L567 PolarHBondContact O-N 3.34Å
565	D	93.9	Very high	96	Very high	114 Å²	114	42 Å²	42	61%	0.61	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	121.8	-177.8	-76.7	-58.8	0	0	0	115.2	R432 Q561 L567	R432-D565 PolarHBondContact NH1-O 3.25Å; R432-D565 PolarHBondContact NH2-O 3.3Å; Q561-D565 PolarHBondContact NE2-OD1 3.11Å; D565-L567 VanDerWaalsContact C-N 3.34Å
566	G	91.5	Very high	96.1	Very high	34 Å²	34	40.4 Å²	40.4	35%	0.351	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	0.5	-176.5	0	0	0	0	0	114	M564	M564-G566 PolarHBondContact O-N 3.47Å
567	L	96.1	Very high	96.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.202	C	C	.	.			trans	-71.8	131.3	179.2	-170.9	63.3	0	0	0	111.2	L433 L440 L560 Q561 M564 D565 V571 F572	L433-L567 HydrophobicContact CB-CD1 4.34Å; L433-L567 HydrophobicContact CD1-CD1 3.9Å; L433-L567 HydrophobicContact CD1-CD2 4.22Å; L433-L567 HydrophobicContact CD2-CD1 3.92Å; L433-L567 HydrophobicContact CG-CD1 4.27Å; L440-L567 HydrophobicContact CD2-CD2 3.47Å; L440-L567 VanDerWaalsContact CD2-CD2 3.47Å; L560-L567 HydrophobicContact CB-CB 4.31Å; L560-L567 HydrophobicContact CB-CD2 4.23Å; L560-L567 HydrophobicContact CB-CG 4.01Å; L560-L567 WeakPolarHBondContact CB-O 3.23Å; L560-L567 HydrophobicContact CD2-CD2 3.91Å; L560-L567 HydrophobicContact CD2-CG 4.3Å; L560-L567 WeakPolarHBondContact O-CB 3.36Å; Q561-L567 PolarHBondContact N-O 3.21Å; M564-L567 HydrophobicContact CB-CB 4.02Å; M564-L567 HydrophobicContact CB-CD2 4.16Å; M564-L567 HydrophobicContact CE-CB 4.08Å; M564-L567 HydrophobicContact CE-CD1 4.04Å; M564-L567 WeakPolarHBondContact O-CB 3.41Å; M564-L567 PolarHBondContact O-N 3.34Å; D565-L567 VanDerWaalsContact C-N 3.34Å; L567-V571 HydrophobicContact CD1-CB 3.88Å; L567-V571 HydrophobicContact CD1-CG1 3.93Å; L567-V571 HydrophobicContact CD1-CG2 4.34Å; L567-F572 HydrophobicContact CD1-CD2 4.49Å; L567-F572 HydrophobicContact CD1-CE2 3.99Å; L567-F572 HydrophobicContact CD2-CE2 4.25Å; L567-F572 HydrophobicContact CD2-CZ 4.49Å; L567-F572 HydrophobicContact CG-CE2 4.27Å
568	T	97.1	Very high	96.2	Very high	27 Å²	27	38.5 Å²	38.5	17%	0.166	19%	0.192	C	C	.	.			trans	-150.2	159	-179.6	41.7	0	0	0	0	108.5	N557 K570 V571	N557-T568 HydrophobicContact CB-CG2 4.14Å; N557-T568 WeakPolarHBondContact OD1-CA 3.3Å; N557-T568 WeakPolarHBondContact OD1-CB 3.38Å; N557-T568 WeakPolarHBondContact OD1-CG2 3.35Å; T568-K570 PolarHBondContact O-N 2.85Å; T568-K570 WeakPolarHBondContact OG1-CE 3.34Å; T568-K570 WeakPolarHBondContact OG1-CG 3.46Å; T568-V571 VanDerWaalsContact O-CB 3.32Å; T568-V571 WeakPolarHBondContact O-CB 3.07Å; T568-V571 WeakPolarHBondContact O-CG2 3.46Å; T568-V571 PolarHBondContact O-N 3.5Å
569	A	96.4	Very high	96.3	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-54.9	-29	-174.6	0	0	0	0	0	114	I465 A472 L556 N557 L560 V571	I465-A569 HydrophobicContact CD1-CB 4.07Å; I465-A569 HydrophobicContact CG2-CB 4.38Å; A472-A569 HydrophobicContact CB-CB 3.85Å; L556-A569 HydrophobicContact CD2-CB 4.2Å; N557-A569 PolarHBondContact OD1-N 3.25Å; L560-A569 HydrophobicContact CD1-CB 4.32Å; A569-V571 VanDerWaalsContact C-N 3.27Å; A569-V571 PolarHBondContact O-N 2.89Å
570	K	95.8	Very high	96.4	Very high	150 Å²	150	33 Å²	33	65%	0.652	17%	0.171	S	C	*	.	H	α-helix	trans	-63.8	-25.8	174	62.5	179.3	177.7	-176.4	0	114.3	T568 R573 T574	T568-K570 PolarHBondContact O-N 2.85Å; T568-K570 WeakPolarHBondContact OG1-CE 3.34Å; T568-K570 WeakPolarHBondContact OG1-CG 3.46Å; K570-R573 PolarHBondContact O-N 3.26Å; K570-T574 PolarHBondContact O-N 3.47Å; K570-T574 PolarHBondContact O-OG1 3.31Å
571	V	97.6	Very high	96.5	Very high	10 Å²	10	33 Å²	33	6%	0.061	17%	0.171	C	C	.	.	H	α-helix	trans	-70.1	-40.3	-177.5	-178.1	0	0	0	0	110.3	T429 A430 L433 L567 T568 A569 R573 T574 Y575	T429-V571 HydrophobicContact CG2-CG1 4.19Å; T429-V571 HydrophobicContact CG2-CG2 4.08Å; A430-V571 HydrophobicContact CB-CG1 4.12Å; L433-V571 HydrophobicContact CB-CG1 4.27Å; L433-V571 HydrophobicContact CD2-CG1 3.94Å; L567-V571 HydrophobicContact CD1-CB 3.88Å; L567-V571 HydrophobicContact CD1-CG1 3.93Å; L567-V571 HydrophobicContact CD1-CG2 4.34Å; T568-V571 VanDerWaalsContact O-CB 3.32Å; T568-V571 WeakPolarHBondContact O-CB 3.07Å; T568-V571 WeakPolarHBondContact O-CG2 3.46Å; T568-V571 PolarHBondContact O-N 3.5Å; A569-V571 VanDerWaalsContact C-N 3.27Å; A569-V571 PolarHBondContact O-N 2.89Å; V571-R573 VanDerWaalsContact C-N 3.31Å; V571-R573 PolarHBondContact O-N 3.26Å; V571-T574 WeakPolarHBondContact O-CA 3.32Å; V571-T574 WeakPolarHBondContact O-CB 3.26Å; V571-T574 PolarHBondContact O-N 2.97Å; V571-Y575 WeakPolarHBondContact O-CB 3.31Å; V571-Y575 PolarHBondContact O-N 3.49Å
572	F	98.1	Very high	96.7	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.009	16%	0.162	C	C	.	.	H	α-helix	trans	-55.3	-43.2	175.4	-74.8	-94	0	0	0	112.2	L433 V437 L440 L462 I465 D466 L560 L567 T574 Y575 N576	L433-F572 HydrophobicContact CD1-CE1 4.28Å; L433-F572 HydrophobicContact CD1-CZ 4.07Å; L433-F572 HydrophobicContact CD2-CD1 3.96Å; L433-F572 HydrophobicContact CD2-CD2 4.17Å; L433-F572 HydrophobicContact CD2-CE1 4.03Å; L433-F572 HydrophobicContact CD2-CE2 4.23Å; L433-F572 HydrophobicContact CD2-CG 4.03Å; L433-F572 HydrophobicContact CD2-CZ 4.16Å; V437-F572 HydrophobicContact CG2-CE1 4.37Å; L440-F572 HydrophobicContact CD2-CZ 4.13Å; L462-F572 HydrophobicContact CD1-CD2 4.43Å; L462-F572 HydrophobicContact CD1-CE1 4.3Å; L462-F572 HydrophobicContact CD1-CE2 3.84Å; L462-F572 HydrophobicContact CD1-CZ 3.77Å; I465-F572 HydrophobicContact CG2-CB 3.71Å; I465-F572 HydrophobicContact CG2-CD2 4.21Å; I465-F572 HydrophobicContact CG2-CG 4.01Å; D466-F572 HydrophobicContact CB-CD1 4.12Å; D466-F572 HydrophobicContact CB-CE1 4.29Å; L560-F572 HydrophobicContact CD1-CE2 4.19Å; L560-F572 HydrophobicContact CD2-CE2 3.88Å; L560-F572 HydrophobicContact CD2-CZ 4.32Å; L567-F572 HydrophobicContact CD1-CD2 4.49Å; L567-F572 HydrophobicContact CD1-CE2 3.99Å; L567-F572 HydrophobicContact CD2-CE2 4.25Å; L567-F572 HydrophobicContact CD2-CZ 4.49Å; L567-F572 HydrophobicContact CG-CE2 4.27Å; F572-T574 VanDerWaalsContact C-N 3.29Å; F572-T574 PolarHBondContact O-N 2.83Å; F572-Y575 PolarHBondContact O-N 2.85Å; F572-N576 VanDerWaalsContact O-CB 3.31Å; F572-N576 WeakPolarHBondContact O-CB 3.25Å; F572-N576 VanDerWaalsContact O-CG 3.31Å; F572-N576 PolarHBondContact O-N 3.33Å; F572-N576 PolarHBondContact O-ND2 3.37Å
573	R	97.3	Very high	96.8	Very high	12 Å²	12	29.7 Å²	29.7	5%	0.045	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-35.9	175.1	-54	-165.3	93.6	-120.7	0.2	113.1	A469 K570 V571 A577 C613 Y706	A469-R573 VanDerWaalsContact O-CZ 3.23Å; A469-R573 PolarHBondContact O-NE 2.94Å; A469-R573 PolarHBondContact O-NH2 3.16Å; K570-R573 PolarHBondContact O-N 3.26Å; V571-R573 VanDerWaalsContact C-N 3.31Å; V571-R573 PolarHBondContact O-N 3.26Å; R573-A577 WeakPolarHBondContact O-CB 3.49Å; R573-A577 PolarHBondContact O-N 3.01Å; R573-C613 PolarHBondContact NH2-O 2.84Å; R573-Y706 HydrophobicContact CB-CD1 4.17Å; R573-Y706 HydrophobicContact CB-CE1 4.18Å
574	T	97.8	Very high	97.1	Very high	10 Å²	10	30.6 Å²	30.6	6%	0.061	16%	0.159	C	C	.	.	H	α-helix	trans	-75.3	-41.9	179.3	-53.2	0	0	0	0	111	K426 Y427 A430 K570 V571 F572 S578	K426-T574 HydrophobicContact CD-CG2 4.45Å; K426-T574 HydrophobicContact CG-CG2 4.41Å; Y427-T574 HydrophobicContact CD1-CG2 3.71Å; Y427-T574 HydrophobicContact CE1-CG2 3.78Å; A430-T574 HydrophobicContact CB-CG2 4.04Å; K570-T574 PolarHBondContact O-N 3.47Å; K570-T574 PolarHBondContact O-OG1 3.31Å; V571-T574 WeakPolarHBondContact O-CA 3.32Å; V571-T574 WeakPolarHBondContact O-CB 3.26Å; V571-T574 PolarHBondContact O-N 2.97Å; F572-T574 VanDerWaalsContact C-N 3.29Å; F572-T574 PolarHBondContact O-N 2.83Å; T574-S578 VanDerWaalsContact O-CB 3.28Å; T574-S578 WeakPolarHBondContact O-CB 3.34Å; T574-S578 PolarHBondContact O-N 2.93Å; T574-S578 PolarHBondContact O-OG 3.41Å
575	Y	98.3	Very high	97.2	Very high	17 Å²	17	29.8 Å²	29.8	7%	0.067	16%	0.155	C	C	.	.	H	α-helix	trans	-60.3	-58.5	175.2	165.5	-108.9	0	0	0	111.1	L433 K434 V437 V571 F572 A577 S578 I579 F748	L433-Y575 HydrophobicContact CD2-CD1 4.12Å; L433-Y575 HydrophobicContact CD2-CG 4.03Å; L433-Y575 HydrophobicContact CG-CD1 4.49Å; L433-Y575 HydrophobicContact CG-CG 4.35Å; K434-Y575 HydrophobicContact CB-CD2 4.1Å; K434-Y575 HydrophobicContact CB-CE2 3.59Å; K434-Y575 HydrophobicContact CG-CE2 3.93Å; V437-Y575 HydrophobicContact CB-CE1 4.5Å; V437-Y575 HydrophobicContact CG1-CE1 4.36Å; V437-Y575 HydrophobicContact CG2-CE1 4.08Å; V571-Y575 WeakPolarHBondContact O-CB 3.31Å; V571-Y575 PolarHBondContact O-N 3.49Å; F572-Y575 PolarHBondContact O-N 2.85Å; Y575-A577 PolarHBondContact O-N 3.25Å; Y575-S578 PolarHBondContact O-N 2.84Å; Y575-S578 VanDerWaalsContact O-N 3.15Å; Y575-I579 HydrophobicContact CE1-CG2 4.46Å; Y575-I579 HydrophobicContact CE2-CB 4.23Å; Y575-I579 HydrophobicContact CE2-CG2 4.21Å; Y575-I579 WeakPolarHBondContact O-CG2 3.39Å; Y575-I579 PolarHBondContact O-N 3.41Å; Y575-F748 AromaticContact CD2-CE1 3.91Å; Y575-F748 HydrophobicContact CD2-CE1 3.91Å; Y575-F748 HydrophobicContact CD2-CZ 4.35Å; Y575-F748 HydrophobicContact CE2-CE1 4.41Å
576	N	97.8	Very high	97.4	Very high	11 Å²	11	33.3 Å²	33.3	6%	0.059	17%	0.165	C	C	.	.	H	α-helix	trans	-57.8	-46.7	179.9	-71.4	-16	0	0	0	111.7	D466 F572 S578 T580 L612	D466-N576 PolarHBondContact O-ND2 2.85Å; F572-N576 VanDerWaalsContact O-CB 3.31Å; F572-N576 WeakPolarHBondContact O-CB 3.25Å; F572-N576 VanDerWaalsContact O-CG 3.31Å; F572-N576 PolarHBondContact O-N 3.33Å; F572-N576 PolarHBondContact O-ND2 3.37Å; N576-S578 VanDerWaalsContact C-N 3.33Å; N576-S578 PolarHBondContact O-N 3.46Å; N576-T580 VanDerWaalsContact O-CB 3.25Å; N576-T580 WeakPolarHBondContact O-CB 3.43Å; N576-T580 PolarHBondContact O-N 2.8Å; N576-T580 PolarHBondContact O-OG1 2.91Å; N576-T580 VanDerWaalsContact O-OG1 3.05Å; N576-L612 HydrophobicContact CB-CD2 4.27Å
577	A	98	Very high	97.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.5	-42.5	177.6	0	0	0	0	0	112.7	R573 Y575 L581 V609 L707	R573-A577 WeakPolarHBondContact O-CB 3.49Å; R573-A577 PolarHBondContact O-N 3.01Å; Y575-A577 PolarHBondContact O-N 3.25Å; A577-L581 PolarHBondContact O-N 3.38Å; A577-V609 HydrophobicContact CB-CG1 3.56Å; A577-V609 VanDerWaalsContact O-CG2 3.31Å; A577-V609 WeakPolarHBondContact O-CG2 3.29Å; A577-L707 HydrophobicContact CB-CD2 4.23Å; A577-L707 WeakPolarHBondContact O-CD2 3.5Å
578	S	98.4	Very high	97.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-72.4	-47	-178.9	-64	0	0	0	0	112.3	T574 Y575 N576 L581 Q582 Y706 D708 I711 F748	T574-S578 VanDerWaalsContact O-CB 3.28Å; T574-S578 WeakPolarHBondContact O-CB 3.34Å; T574-S578 PolarHBondContact O-N 2.93Å; T574-S578 PolarHBondContact O-OG 3.41Å; Y575-S578 PolarHBondContact O-N 2.84Å; Y575-S578 VanDerWaalsContact O-N 3.15Å; N576-S578 VanDerWaalsContact C-N 3.33Å; N576-S578 PolarHBondContact O-N 3.46Å; S578-L581 PolarHBondContact O-N 3.31Å; S578-Q582 PolarHBondContact O-N 2.96Å; S578-Q582 VanDerWaalsContact O-N 3.07Å; S578-Y706 PolarHBondContact OG-O 3.21Å; S578-D708 PolarHBondContact OG-N 2.93Å; S578-I711 WeakPolarHBondContact O-CD1 3Å; S578-F748 VanDerWaalsContact CB-CZ 3.46Å
579	I	98.1	Very high	97.7	Very high	17 Å²	17	39.7 Å²	39.7	9%	0.087	19%	0.186	C	C	.	.	H	α-helix	trans	-67.1	-39.6	-179.2	-163.6	64	0	0	0	111.8	K434 Y575 L581 Q582 Q583 F748	K434-I579 HydrophobicContact CD-CD1 4.34Å; Y575-I579 HydrophobicContact CE1-CG2 4.46Å; Y575-I579 HydrophobicContact CE2-CB 4.23Å; Y575-I579 HydrophobicContact CE2-CG2 4.21Å; Y575-I579 WeakPolarHBondContact O-CG2 3.39Å; Y575-I579 PolarHBondContact O-N 3.41Å; I579-L581 PolarHBondContact O-N 2.59Å; I579-Q582 PolarHBondContact O-N 3.12Å; I579-Q583 WeakPolarHBondContact O-CB 3.31Å; I579-Q583 WeakPolarHBondContact O-CG 3.5Å; I579-Q583 PolarHBondContact O-N 3.14Å; I579-F748 HydrophobicContact CB-CD1 4.47Å; I579-F748 HydrophobicContact CB-CE1 4.39Å; I579-F748 HydrophobicContact CD1-CD1 4.39Å
580	T	98.2	Very high	97.6	Very high	33 Å²	33	44.2 Å²	44.2	20%	0.202	21%	0.21	C	C	.	.	H	α-helix	trans	-64.7	-38.8	174.6	-63	0	0	0	0	111.9	N576 Q582 Q584 V609	N576-T580 VanDerWaalsContact O-CB 3.25Å; N576-T580 WeakPolarHBondContact O-CB 3.43Å; N576-T580 PolarHBondContact O-N 2.8Å; N576-T580 PolarHBondContact O-OG1 2.91Å; N576-T580 VanDerWaalsContact O-OG1 3.05Å; T580-Q582 VanDerWaalsContact C-N 3.34Å; T580-Q582 PolarHBondContact O-N 2.85Å; T580-Q584 HydrophobicContact CG2-CG 4.09Å; T580-Q584 VanDerWaalsContact O-CB 3.27Å; T580-Q584 WeakPolarHBondContact O-CB 3.45Å; T580-Q584 WeakPolarHBondContact O-CG 3.33Å; T580-Q584 PolarHBondContact O-N 3.01Å; T580-V609 HydrophobicContact CG2-CG2 3.83Å
581	L	98.4	Very high	97.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-59.1	-48	172.2	179.3	73	0	0	0	110.7	A577 S578 I579 Q584 L585 A605 N606 V609 L707 I711	A577-L581 PolarHBondContact O-N 3.38Å; S578-L581 PolarHBondContact O-N 3.31Å; I579-L581 PolarHBondContact O-N 2.59Å; L581-Q584 PolarHBondContact O-N 2.71Å; L581-L585 HydrophobicContact CD1-CD1 4Å; L581-L585 HydrophobicContact CD1-CG 4.05Å; L581-L585 HydrophobicContact CD2-CD1 4.17Å; L581-L585 HydrophobicContact CG-CD1 3.74Å; L581-L585 HydrophobicContact CG-CG 4.14Å; L581-L585 WeakPolarHBondContact O-CB 3.42Å; L581-L585 VanDerWaalsContact O-CG 3.23Å; L581-L585 WeakPolarHBondContact O-CG 3.37Å; L581-L585 PolarHBondContact O-N 3.03Å; L581-A605 HydrophobicContact CD1-CB 4.02Å; L581-N606 HydrophobicContact CD1-CB 4.38Å; L581-V609 HydrophobicContact CB-CG2 4.08Å; L581-L707 HydrophobicContact CB-CD2 3.63Å; L581-L707 HydrophobicContact CD1-CD1 4.23Å; L581-L707 HydrophobicContact CD2-CB 4.16Å; L581-L707 HydrophobicContact CD2-CD1 3.78Å; L581-L707 HydrophobicContact CD2-CD2 3.83Å; L581-L707 HydrophobicContact CD2-CG 4.12Å; L581-L707 HydrophobicContact CG-CD1 4.45Å; L581-L707 HydrophobicContact CG-CD2 4.2Å; L581-I711 HydrophobicContact CD2-CB 4.34Å; L581-I711 HydrophobicContact CD2-CG2 3.99Å; L581-I711 HydrophobicContact CG-CG2 4.34Å
582	Q	98.5	Very high	97.3	Very high	40 Å²	40	47 Å²	47	19%	0.187	24%	0.24	C	C	.	.	H	α-helix	trans	-63.7	-43.8	-176.4	-167.6	-175	4.5	0	0	112.3	S578 I579 T580 K586 I711	S578-Q582 PolarHBondContact O-N 2.96Å; S578-Q582 VanDerWaalsContact O-N 3.07Å; I579-Q582 PolarHBondContact O-N 3.12Å; T580-Q582 VanDerWaalsContact C-N 3.34Å; T580-Q582 PolarHBondContact O-N 2.85Å; Q582-K586 WeakPolarHBondContact O-CB 3.29Å; Q582-K586 PolarHBondContact O-N 3.42Å; Q582-K586 VanDerWaalsContact O-N 3.09Å; Q582-I711 HydrophobicContact CB-CD1 4.33Å; Q582-I711 HydrophobicContact CB-CG2 3.95Å; Q582-I711 HydrophobicContact CG-CG2 4.13Å
583	Q	98.1	Very high	97.1	Very high	93 Å²	93	48.9 Å²	48.9	44%	0.435	25%	0.25	S	S	.	.	H	α-helix	trans	-61.3	-52	175.5	-72.6	168.5	-31.7	0	0	110.9	I579 L585 K586 E587	I579-Q583 WeakPolarHBondContact O-CB 3.31Å; I579-Q583 WeakPolarHBondContact O-CG 3.5Å; I579-Q583 PolarHBondContact O-N 3.14Å; Q583-L585 VanDerWaalsContact C-N 3.34Å; Q583-L585 PolarHBondContact O-N 3.03Å; Q583-K586 WeakPolarHBondContact O-CA 3.49Å; Q583-K586 WeakPolarHBondContact O-CB 3.37Å; Q583-K586 PolarHBondContact O-N 2.67Å; Q583-E587 WeakPolarHBondContact O-CG 3.27Å; Q583-E587 PolarHBondContact O-N 2.97Å
584	Q	98.2	Very high	96.8	Very high	47 Å²	47	51.4 Å²	51.4	22%	0.22	27%	0.265	C	S	.	.	H	α-helix	trans	-65.5	-32.7	-179.8	-67.3	-74	-76.4	0	0	113.1	T580 L581 K586 E587 L588 A605 A608	T580-Q584 HydrophobicContact CG2-CG 4.09Å; T580-Q584 VanDerWaalsContact O-CB 3.27Å; T580-Q584 WeakPolarHBondContact O-CB 3.45Å; T580-Q584 WeakPolarHBondContact O-CG 3.33Å; T580-Q584 PolarHBondContact O-N 3.01Å; L581-Q584 PolarHBondContact O-N 2.71Å; Q584-K586 VanDerWaalsContact C-N 3.34Å; Q584-E587 PolarHBondContact NE2-OE2 3.36Å; Q584-E587 PolarHBondContact O-N 2.83Å; Q584-L588 HydrophobicContact CB-CD1 4.27Å; Q584-L588 WeakPolarHBondContact O-CB 3.47Å; Q584-L588 VanDerWaalsContact O-CG 3.23Å; Q584-L588 WeakPolarHBondContact O-CG 3.36Å; Q584-L588 PolarHBondContact O-N 2.97Å; Q584-A605 HydrophobicContact CB-CB 3.58Å; Q584-A608 HydrophobicContact CG-CB 4.22Å
585	L	98.2	Very high	96.6	Very high	7 Å²	7	54.2 Å²	54.2	4%	0.037	28%	0.278	C	S	.	.	H	α-helix	trans	-67.7	-33.3	171.7	-74.1	177.1	0	0	0	112.3	L581 Q583 T589 Y602 A605 I711 W715	L581-L585 HydrophobicContact CD1-CD1 4Å; L581-L585 HydrophobicContact CD1-CG 4.05Å; L581-L585 HydrophobicContact CD2-CD1 4.17Å; L581-L585 HydrophobicContact CG-CD1 3.74Å; L581-L585 HydrophobicContact CG-CG 4.14Å; L581-L585 WeakPolarHBondContact O-CB 3.42Å; L581-L585 VanDerWaalsContact O-CG 3.23Å; L581-L585 WeakPolarHBondContact O-CG 3.37Å; L581-L585 PolarHBondContact O-N 3.03Å; Q583-L585 VanDerWaalsContact C-N 3.34Å; Q583-L585 PolarHBondContact O-N 3.03Å; L585-T589 VanDerWaalsContact O-CB 3.31Å; L585-T589 WeakPolarHBondContact O-CB 3.46Å; L585-T589 PolarHBondContact O-OG1 2.89Å; L585-Y602 HydrophobicContact CD1-CD2 4.39Å; L585-Y602 HydrophobicContact CD1-CE2 4.43Å; L585-Y602 HydrophobicContact CD2-CD2 3.78Å; L585-Y602 HydrophobicContact CD2-CG 4.22Å; L585-A605 HydrophobicContact CD2-CB 3.75Å; L585-A605 HydrophobicContact CG-CB 3.93Å; L585-I711 HydrophobicContact CD1-CG2 4.01Å; L585-W715 HydrophobicContact CD1-CB 4.15Å; L585-W715 HydrophobicContact CD1-CG 4.04Å; L585-W715 HydrophobicContact CD2-CD2 4.31Å; L585-W715 HydrophobicContact CD2-CG 4.28Å
586	K	97.2	Very high	96.3	Very high	188 Å²	188	55.3 Å²	55.3	82%	0.817	29%	0.288	S	S	*	.	H	α-helix	trans	-73.6	-32.5	175.2	-174.1	176	-179.6	175.4	0	112.5	Q582 Q583 Q584	Q582-K586 WeakPolarHBondContact O-CB 3.29Å; Q582-K586 PolarHBondContact O-N 3.42Å; Q582-K586 VanDerWaalsContact O-N 3.09Å; Q583-K586 WeakPolarHBondContact O-CA 3.49Å; Q583-K586 WeakPolarHBondContact O-CB 3.37Å; Q583-K586 PolarHBondContact O-N 2.67Å; Q584-K586 VanDerWaalsContact C-N 3.34Å
587	E	97.4	Very high	96	Very high	124 Å²	124	55.2 Å²	55.2	58%	0.579	29%	0.288	S	S	*	.	H	α-helix	trans	-85.1	-36.1	-178.8	-71.1	158.6	-149.3	0	0	113.5	Q583 Q584	Q583-E587 WeakPolarHBondContact O-CG 3.27Å; Q583-E587 PolarHBondContact O-N 2.97Å; Q584-E587 PolarHBondContact NE2-OE2 3.36Å; Q584-E587 PolarHBondContact O-N 2.83Å
588	L	96.6	Very high	95.9	Very high	59 Å²	59	55.9 Å²	55.9	31%	0.309	29%	0.291	S	S	.	.	H	α-helix	trans	-99.4	-5	-170.6	-58.4	175.7	0	0	0	115	Q584 S601 R604 A605	Q584-L588 HydrophobicContact CB-CD1 4.27Å; Q584-L588 WeakPolarHBondContact O-CB 3.47Å; Q584-L588 VanDerWaalsContact O-CG 3.23Å; Q584-L588 WeakPolarHBondContact O-CG 3.36Å; Q584-L588 PolarHBondContact O-N 2.97Å; L588-S601 WeakPolarHBondContact O-CB 3.47Å; L588-S601 PolarHBondContact O-OG 2.82Å; L588-R604 HydrophobicContact CD1-CB 3.99Å; L588-A605 HydrophobicContact CD1-CB 4.43Å
589	T	97.1	Very high	95.8	Very high	13 Å²	13	57.8 Å²	57.8	8%	0.08	30%	0.301	C	S	.	.			trans	-100.9	112.4	-177	-47.3	0	0	0	0	111.4	L585 K598 W715 W719	L585-T589 VanDerWaalsContact O-CB 3.31Å; L585-T589 WeakPolarHBondContact O-CB 3.46Å; L585-T589 PolarHBondContact O-OG1 2.89Å; T589-K598 HydrophobicContact CG2-CD 3.99Å; T589-K598 HydrophobicContact CG2-CG 4.09Å; T589-W715 HydrophobicContact CG2-CZ2 4.16Å; T589-W715 PolarHBondContact OG1-NE1 2.84Å; T589-W719 HydrophobicContact CG2-CD2 4.22Å; T589-W719 HydrophobicContact CG2-CG 4.23Å; T589-W719 HydrophobicContact CG2-CZ2 4.34Å
590	N	95.1	Very high	95.6	Very high	96 Å²	96	57.8 Å²	57.8	51%	0.513	30%	0.301	S	S	.	.			trans	-83.3	147.4	173.1	-47.3	-76	0	0	0	110.7	D593 K598	N590-D593 HydrophobicContact CB-CB 4.44Å; N590-D593 VanDerWaalsContact CB-OD2 3.32Å; N590-D593 WeakPolarHBondContact CB-OD2 3.17Å; N590-D593 PolarHBondContact ND2-OD2 2.73Å; N590-K598 WeakPolarHBondContact O-CE 3.47Å; N590-K598 PolarHBondContact O-NZ 2.74Å
591	A	93.9	Very high	95.6	Very high	58 Å²	58	56.7 Å²	56.7	48%	0.479	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-42.1	179.9	0	0	0	0	0	112.2	D593 K598 W719	A591-D593 VanDerWaalsContact C-N 3.32Å; A591-D593 PolarHBondContact O-N 2.68Å; A591-K598 PolarHBondContact O-NZ 3.03Å; A591-W719 HydrophobicContact CB-CH2 4.02Å; A591-W719 HydrophobicContact CB-CZ3 3.76Å
592	D	93.6	Very high	95.6	Very high	161 Å²	161	56.7 Å²	56.7	86%	0.861	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-7.8	-174.6	-50.1	-77.3	0	0	0	114.3	N594	D592-N594 PolarHBondContact O-N 3.33Å
593	D	92.6	Very high	95.5	Very high	40 Å²	40	55.9 Å²	55.9	21%	0.214	29%	0.292	C	S	.	.			trans	-61.2	136	-179.5	-91.5	-36.5	0	0	0	112.1	N590 A591 A597 K598	N590-D593 HydrophobicContact CB-CB 4.44Å; N590-D593 VanDerWaalsContact CB-OD2 3.32Å; N590-D593 WeakPolarHBondContact CB-OD2 3.17Å; N590-D593 PolarHBondContact ND2-OD2 2.73Å; A591-D593 VanDerWaalsContact C-N 3.32Å; A591-D593 PolarHBondContact O-N 2.68Å; D593-A597 HydrophobicContact CB-CB 3.87Å; D593-A597 WeakPolarHBondContact OD1-CB 3.44Å; D593-K598 HydrophobicContact CB-CG 3.62Å; D593-K598 PolarHBondContact O-NZ 3.05Å
594	N	91.4	Very high	95.4	Very high	65 Å²	65	56 Å²	56	35%	0.348	29%	0.288	S	S	.	.			trans	-69.1	162.7	170.6	64.7	46	0	0	0	111.7	D592 P596 A597 K598 M682	D592-N594 PolarHBondContact O-N 3.33Å; N594-P596 WeakPolarHBondContact OD1-CB 3.47Å; N594-P596 VanDerWaalsContact OD1-CD 3.22Å; N594-P596 WeakPolarHBondContact OD1-CD 3.31Å; N594-A597 PolarHBondContact O-N 3.48Å; N594-A597 PolarHBondContact OD1-N 2.89Å; N594-K598 PolarHBondContact O-N 3.19Å; N594-M682 PolarHBondContact ND2-SD 2.95Å
595	I	92.8	Very high	95.4	Very high	69 Å²	69	53.8 Å²	53.8	35%	0.354	28%	0.278	S	S	.	.	H	α-helix	trans	-53.3	-44	-176.2	-65.2	169.8	0	0	0	112.8	A597 K598 I599 V721	I595-A597 PolarHBondContact O-N 2.86Å; I595-K598 PolarHBondContact O-N 2.75Å; I595-I599 HydrophobicContact CG2-CD1 3.77Å; I595-I599 HydrophobicContact CG2-CG1 4.45Å; I595-I599 WeakPolarHBondContact O-CD1 3.39Å; I595-I599 VanDerWaalsContact O-CG1 3.23Å; I595-I599 WeakPolarHBondContact O-CG1 3.31Å; I595-I599 PolarHBondContact O-N 3.25Å; I595-V721 HydrophobicContact CG2-CG1 4.37Å
596	P	92.3	Very high	95.4	Very high	40 Å²	40	53.5 Å²	53.5	26%	0.26	28%	0.276	S	S	.	.	H	α-helix	trans	-54.2	-46.2	170.3	-28.4	34.2	0	0	0	115	N594 I599 L600	N594-P596 WeakPolarHBondContact OD1-CB 3.47Å; N594-P596 VanDerWaalsContact OD1-CD 3.22Å; N594-P596 WeakPolarHBondContact OD1-CD 3.31Å; P596-I599 PolarHBondContact O-N 2.64Å; P596-L600 PolarHBondContact O-N 3.27Å
597	A	92.8	Very high	95.3	Very high	9 Å²	9	48.1 Å²	48.1	7%	0.074	25%	0.251	C	S	.	.	H	α-helix	trans	-66.4	-45	178.3	0	0	0	0	0	112	D593 N594 I595 I599 L600 S601 M682	D593-A597 HydrophobicContact CB-CB 3.87Å; D593-A597 WeakPolarHBondContact OD1-CB 3.44Å; N594-A597 PolarHBondContact O-N 3.48Å; N594-A597 PolarHBondContact OD1-N 2.89Å; I595-A597 PolarHBondContact O-N 2.86Å; A597-I599 VanDerWaalsContact C-N 3.25Å; A597-I599 PolarHBondContact O-N 2.87Å; A597-L600 WeakPolarHBondContact O-CA 3.33Å; A597-L600 WeakPolarHBondContact O-CB 3.22Å; A597-L600 PolarHBondContact O-N 2.82Å; A597-S601 PolarHBondContact O-N 3.33Å; A597-M682 HydrophobicContact CB-CE 4.02Å
598	K	96.1	Very high	95.3	Very high	14 Å²	14	43.7 Å²	43.7	6%	0.061	24%	0.235	C	C	.	.	H	α-helix	trans	-57.4	-36.8	173.8	-70.2	-159.8	167.3	83.3	0	112.6	T589 N590 A591 D593 N594 I595 S601 Y602 W715 W719 V721	T589-K598 HydrophobicContact CG2-CD 3.99Å; T589-K598 HydrophobicContact CG2-CG 4.09Å; N590-K598 WeakPolarHBondContact O-CE 3.47Å; N590-K598 PolarHBondContact O-NZ 2.74Å; A591-K598 PolarHBondContact O-NZ 3.03Å; D593-K598 HydrophobicContact CB-CG 3.62Å; D593-K598 PolarHBondContact O-NZ 3.05Å; N594-K598 PolarHBondContact O-N 3.19Å; I595-K598 PolarHBondContact O-N 2.75Å; K598-S601 PolarHBondContact O-N 3.45Å; K598-Y602 PolarHBondContact O-N 3.25Å; K598-W715 HydrophobicContact CB-CH2 4.01Å; K598-W715 HydrophobicContact CB-CZ2 3.97Å; K598-W715 WeakPolarHBondContact O-CH2 3.35Å; K598-W715 VanDerWaalsContact O-CZ2 3.28Å; K598-W715 WeakPolarHBondContact O-CZ2 3.41Å; K598-W719 HydrophobicContact CD-CB 3.72Å; K598-W719 HydrophobicContact CD-CG 4.09Å; K598-V721 HydrophobicContact CB-CG2 4.16Å; K598-V721 HydrophobicContact CD-CG2 4.09Å
599	I	95.5	Very high	95.3	Very high	41 Å²	41	40.9 Å²	40.9	21%	0.21	22%	0.221	C	C	.	.	H	α-helix	trans	-66.3	-35.3	174.5	-69.2	162.5	0	0	0	111.9	I595 P596 A597 Y602 N603 V721 K725 I726	I595-I599 HydrophobicContact CG2-CD1 3.77Å; I595-I599 HydrophobicContact CG2-CG1 4.45Å; I595-I599 WeakPolarHBondContact O-CD1 3.39Å; I595-I599 VanDerWaalsContact O-CG1 3.23Å; I595-I599 WeakPolarHBondContact O-CG1 3.31Å; I595-I599 PolarHBondContact O-N 3.25Å; P596-I599 PolarHBondContact O-N 2.64Å; A597-I599 VanDerWaalsContact C-N 3.25Å; A597-I599 PolarHBondContact O-N 2.87Å; I599-Y602 PolarHBondContact O-N 2.87Å; I599-N603 PolarHBondContact O-N 3.35Å; I599-V721 HydrophobicContact CG1-CG1 4.36Å; I599-K725 HydrophobicContact CD1-CB 3.76Å; I599-K725 HydrophobicContact CD1-CG 4.12Å; I599-K725 HydrophobicContact CG1-CB 4.46Å; I599-I726 HydrophobicContact CG1-CD1 4.28Å
600	L	94.5	Very high	95.2	Very high	17 Å²	17	40.2 Å²	40.2	9%	0.089	22%	0.217	C	C	.	.	H	α-helix	trans	-65	-44	173	-177.1	65	0	0	0	111.2	P596 A597 Y602 N603 R604 V686 T689 D690	P596-L600 PolarHBondContact O-N 3.27Å; A597-L600 WeakPolarHBondContact O-CA 3.33Å; A597-L600 WeakPolarHBondContact O-CB 3.22Å; A597-L600 PolarHBondContact O-N 2.82Å; L600-Y602 VanDerWaalsContact C-N 3.34Å; L600-Y602 PolarHBondContact O-N 3.07Å; L600-N603 PolarHBondContact O-N 2.9Å; L600-N603 VanDerWaalsContact O-N 3.17Å; L600-R604 WeakPolarHBondContact O-CG 3.49Å; L600-R604 PolarHBondContact O-N 3.34Å; L600-V686 HydrophobicContact CB-CG1 3.97Å; L600-V686 HydrophobicContact CD2-CG1 4.32Å; L600-V686 HydrophobicContact CD2-CG2 4.33Å; L600-T689 HydrophobicContact CD1-CG2 4.3Å; L600-T689 HydrophobicContact CD2-CG2 4.26Å; L600-D690 HydrophobicContact CD1-CB 3.92Å
601	S	97.2	Very high	95.2	Very high	10 Å²	10	40.4 Å²	40.4	7%	0.07	22%	0.217	C	C	.	.	H	α-helix	trans	-60	-42	173.8	-62.6	0	0	0	0	112.4	L588 A597 K598 N603 R604 A605	L588-S601 WeakPolarHBondContact O-CB 3.47Å; L588-S601 PolarHBondContact O-OG 2.82Å; A597-S601 PolarHBondContact O-N 3.33Å; K598-S601 PolarHBondContact O-N 3.45Å; S601-N603 PolarHBondContact O-N 3.4Å; S601-R604 PolarHBondContact O-N 2.65Å; S601-A605 WeakPolarHBondContact O-CB 3.42Å; S601-A605 PolarHBondContact O-N 2.86Å
602	Y	97.8	Very high	95.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.3	-45.9	172.4	-179.2	-73.6	0	0	0	112	L585 K598 I599 L600 A605 N606 K703 S712 W715 I726	L585-Y602 HydrophobicContact CD1-CD2 4.39Å; L585-Y602 HydrophobicContact CD1-CE2 4.43Å; L585-Y602 HydrophobicContact CD2-CD2 3.78Å; L585-Y602 HydrophobicContact CD2-CG 4.22Å; K598-Y602 PolarHBondContact O-N 3.25Å; I599-Y602 PolarHBondContact O-N 2.87Å; L600-Y602 VanDerWaalsContact C-N 3.34Å; L600-Y602 PolarHBondContact O-N 3.07Å; Y602-A605 PolarHBondContact O-N 3.5Å; Y602-N606 HydrophobicContact CE1-CB 4.4Å; Y602-N606 PolarHBondContact O-N 3.22Å; Y602-K703 HydrophobicContact CE1-CD 4.32Å; Y602-S712 PolarHBondContact OH-OG 3.23Å; Y602-S712 VanDerWaalsContact OH-OG 3.12Å; Y602-W715 HydrophobicContact CD2-CD2 4.23Å; Y602-W715 AromaticContact CD2-CE3 3.84Å; Y602-W715 HydrophobicContact CD2-CE3 3.84Å; Y602-W715 HydrophobicContact CD2-CH2 4.28Å; Y602-W715 AromaticContact CD2-CZ3 3.87Å; Y602-W715 HydrophobicContact CD2-CZ3 3.87Å; Y602-W715 HydrophobicContact CG-CH2 4.43Å; Y602-W715 HydrophobicContact CG-CZ3 4.37Å; Y602-I726 HydrophobicContact CD1-CD1 4.01Å; Y602-I726 HydrophobicContact CD2-CD1 4.04Å; Y602-I726 HydrophobicContact CD2-CG1 4.46Å; Y602-I726 HydrophobicContact CD2-CG2 4.43Å; Y602-I726 HydrophobicContact CE1-CG2 4.02Å; Y602-I726 HydrophobicContact CE2-CD1 4.46Å; Y602-I726 HydrophobicContact CE2-CG2 3.77Å; Y602-I726 HydrophobicContact CG-CD1 3.82Å
603	N	96.3	Very high	95.3	Very high	22 Å²	22	32.3 Å²	32.3	12%	0.118	17%	0.165	C	C	.	.	H	α-helix	trans	-67.3	-36.5	-179.6	-79.1	-3	0	0	0	111.8	I599 L600 S601 N606 R607 D690 L699	I599-N603 PolarHBondContact O-N 3.35Å; L600-N603 PolarHBondContact O-N 2.9Å; L600-N603 VanDerWaalsContact O-N 3.17Å; S601-N603 PolarHBondContact O-N 3.4Å; N603-N606 PolarHBondContact O-N 3.09Å; N603-R607 VanDerWaalsContact O-CB 3.31Å; N603-R607 WeakPolarHBondContact O-CB 3.41Å; N603-R607 PolarHBondContact O-N 3.39Å; N603-D690 WeakPolarHBondContact CB-OD1 3.35Å; N603-D690 VanDerWaalsContact ND2-CG 3.29Å; N603-D690 PolarHBondContact ND2-OD1 3.31Å; N603-D690 PolarHBondContact ND2-OD2 3.07Å; N603-L699 HydrophobicContact CB-CD1 4.32Å
604	R	97.2	Very high	95.5	Very high	96 Å²	96	31.4 Å²	31.4	36%	0.362	16%	0.16	S	C	.	.	H	α-helix	trans	-63.2	-45	171.8	-75.6	174.7	170.2	169.9	-3.8	112.5	L588 L600 S601 N606 R607 A608 E693	L588-R604 HydrophobicContact CD1-CB 3.99Å; L600-R604 WeakPolarHBondContact O-CG 3.49Å; L600-R604 PolarHBondContact O-N 3.34Å; S601-R604 PolarHBondContact O-N 2.65Å; R604-N606 VanDerWaalsContact C-N 3.34Å; R604-N606 PolarHBondContact O-N 3.04Å; R604-R607 WeakPolarHBondContact O-CA 3.07Å; R604-R607 VanDerWaalsContact O-CB 3.31Å; R604-R607 WeakPolarHBondContact O-CB 3.39Å; R604-R607 PolarHBondContact O-N 2.85Å; R604-A608 PolarHBondContact O-N 2.72Å; R604-E693 WeakPolarHBondContact CG-OE2 3.3Å; R604-E693 IonicContact CZ-OE1 3.69Å; R604-E693 IonicContact NE-OE1 2.62Å; R604-E693 PolarHBondContact NE-OE1 3.05Å; R604-E693 IonicContact NE-OE2 2.77Å; R604-E693 IonicContact NH2-OE1 2.69Å; R604-E693 PolarHBondContact NH2-OE1 3.04Å
605	A	97.9	Very high	95.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.9	-42.4	174.5	0	0	0	0	0	112.2	L581 Q584 L585 L588 S601 Y602 R607 V609	L581-A605 HydrophobicContact CD1-CB 4.02Å; Q584-A605 HydrophobicContact CB-CB 3.58Å; L585-A605 HydrophobicContact CD2-CB 3.75Å; L585-A605 HydrophobicContact CG-CB 3.93Å; L588-A605 HydrophobicContact CD1-CB 4.43Å; S601-A605 WeakPolarHBondContact O-CB 3.42Å; S601-A605 PolarHBondContact O-N 2.86Å; Y602-A605 PolarHBondContact O-N 3.5Å; A605-R607 VanDerWaalsContact C-N 3.35Å; A605-V609 PolarHBondContact O-N 2.95Å
606	N	97.4	Very high	95.5	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-71.2	-27	173.8	-173.5	31.6	0	0	0	113	L581 Y602 N603 R604 V609 A610 L699 S702 L707	L581-N606 HydrophobicContact CD1-CB 4.38Å; Y602-N606 HydrophobicContact CE1-CB 4.4Å; Y602-N606 PolarHBondContact O-N 3.22Å; N603-N606 PolarHBondContact O-N 3.09Å; R604-N606 VanDerWaalsContact C-N 3.34Å; R604-N606 PolarHBondContact O-N 3.04Å; N606-V609 PolarHBondContact O-N 2.72Å; N606-A610 WeakPolarHBondContact O-CB 3.39Å; N606-A610 PolarHBondContact O-N 3.43Å; N606-L699 HydrophobicContact CB-CD2 4.27Å; N606-L699 PolarHBondContact ND2-O 2.91Å; N606-S702 WeakPolarHBondContact OD1-CB 3.3Å; N606-S702 PolarHBondContact OD1-OG 3.04Å; N606-L707 VanDerWaalsContact OD1-CD1 3.32Å; N606-L707 WeakPolarHBondContact OD1-CD1 2.89Å
607	R	96.3	Very high	95.4	Very high	76 Å²	76	33.2 Å²	33.2	29%	0.287	16%	0.157	S	C	.	.	H	α-helix	trans	-66.1	-44.2	174.3	-173.8	-175.2	179.8	-138.3	-6.4	110.9	N603 R604 A605 V609 A610 I611 E693 I697 L699	N603-R607 VanDerWaalsContact O-CB 3.31Å; N603-R607 WeakPolarHBondContact O-CB 3.41Å; N603-R607 PolarHBondContact O-N 3.39Å; R604-R607 WeakPolarHBondContact O-CA 3.07Å; R604-R607 VanDerWaalsContact O-CB 3.31Å; R604-R607 WeakPolarHBondContact O-CB 3.39Å; R604-R607 PolarHBondContact O-N 2.85Å; A605-R607 VanDerWaalsContact C-N 3.35Å; R607-V609 VanDerWaalsContact C-N 3.33Å; R607-V609 PolarHBondContact O-N 2.7Å; R607-A610 PolarHBondContact O-N 3.22Å; R607-A610 VanDerWaalsContact O-N 3.14Å; R607-I611 HydrophobicContact CG-CD1 4.16Å; R607-I611 WeakPolarHBondContact O-CG1 3.3Å; R607-I611 PolarHBondContact O-N 2.96Å; R607-E693 IonicContact CZ-OE2 3.19Å; R607-E693 PolarHBondContact NE-O 3.22Å; R607-E693 IonicContact NE-OE2 3.92Å; R607-E693 IonicContact NH1-OE2 2.71Å; R607-E693 PolarHBondContact NH1-OE2 3.19Å; R607-E693 PolarHBondContact NH2-O 2.77Å; R607-E693 VanDerWaalsContact NH2-O 3.08Å; R607-I697 HydrophobicContact CG-CG1 4.43Å; R607-I697 HydrophobicContact CG-CG2 4.37Å; R607-L699 HydrophobicContact CB-CD2 4.08Å
608	A	96.4	Very high	95.2	Very high	30 Å²	30	36.7 Å²	36.7	25%	0.248	19%	0.186	C	C	.	.	H	α-helix	trans	-56.4	-46.3	172.6	0	0	0	0	0	111.7	Q584 R604 A610 I611 L612	Q584-A608 HydrophobicContact CG-CB 4.22Å; R604-A608 PolarHBondContact O-N 2.72Å; A608-A610 PolarHBondContact O-N 2.94Å; A608-I611 PolarHBondContact O-N 2.71Å; A608-L612 PolarHBondContact O-N 3.11Å
609	V	96.9	Very high	94.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.8	-38.1	175.3	176.2	0	0	0	0	112.8	A577 T580 L581 A605 N606 R607 L612 C613 L707	A577-V609 HydrophobicContact CB-CG1 3.56Å; A577-V609 VanDerWaalsContact O-CG2 3.31Å; A577-V609 WeakPolarHBondContact O-CG2 3.29Å; T580-V609 HydrophobicContact CG2-CG2 3.83Å; L581-V609 HydrophobicContact CB-CG2 4.08Å; A605-V609 PolarHBondContact O-N 2.95Å; N606-V609 PolarHBondContact O-N 2.72Å; R607-V609 VanDerWaalsContact C-N 3.33Å; R607-V609 PolarHBondContact O-N 2.7Å; V609-L612 PolarHBondContact O-N 2.81Å; V609-C613 WeakPolarHBondContact O-CB 3.43Å; V609-C613 PolarHBondContact O-N 2.83Å; V609-C613 PolarHBondContact O-SG 2.94Å; V609-L707 HydrophobicContact CB-CD2 4.44Å; V609-L707 HydrophobicContact CG1-CD2 3.86Å; V609-L707 HydrophobicContact CG2-CD2 4.25Å
610	A	96	Very high	94.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-67.2	-36.7	177.8	0	0	0	0	0	112	N606 R607 A608 C613 N614 H615 I697 L699	N606-A610 WeakPolarHBondContact O-CB 3.39Å; N606-A610 PolarHBondContact O-N 3.43Å; R607-A610 PolarHBondContact O-N 3.22Å; R607-A610 VanDerWaalsContact O-N 3.14Å; A608-A610 PolarHBondContact O-N 2.94Å; A610-C613 PolarHBondContact O-N 3.47Å; A610-N614 PolarHBondContact O-N 3.09Å; A610-H615 HydrophobicContact CB-CB 4.23Å; A610-H615 PolarHBondContact O-N 3.17Å; A610-I697 HydrophobicContact CB-CG2 3.44Å; A610-I697 VanDerWaalsContact CB-CG2 3.44Å; A610-L699 HydrophobicContact CB-CD2 4.03Å
611	I	94.5	Very high	94.2	Very high	99 Å²	99	48.9 Å²	48.9	51%	0.508	25%	0.248	S	C	.	.	H	α-helix	trans	-63.7	-53.6	171.5	-68.5	163.6	0	0	0	109.9	R607 A608 C613 N614 I697	R607-I611 HydrophobicContact CG-CD1 4.16Å; R607-I611 WeakPolarHBondContact O-CG1 3.3Å; R607-I611 PolarHBondContact O-N 2.96Å; A608-I611 PolarHBondContact O-N 2.71Å; I611-C613 PolarHBondContact O-N 3.35Å; I611-C613 VanDerWaalsContact O-N 3.16Å; I611-N614 WeakPolarHBondContact O-CA 3.39Å; I611-N614 PolarHBondContact O-N 3.43Å; I611-I697 HydrophobicContact CG1-CD1 4.06Å
612	L	94.3	Very high	93.9	Very high	48 Å²	48	53.5 Å²	53.5	25%	0.251	28%	0.276	S	S	.	.	H	α-helix	trans	-54.3	-36.1	176.8	177.5	61.7	0	0	0	112.8	A469 N576 A608 V609 N614	A469-L612 HydrophobicContact CB-CD1 4.17Å; A469-L612 HydrophobicContact CB-CG 4.11Å; N576-L612 HydrophobicContact CB-CD2 4.27Å; A608-L612 PolarHBondContact O-N 3.11Å; V609-L612 PolarHBondContact O-N 2.81Å; L612-N614 VanDerWaalsContact C-N 3.32Å; L612-N614 PolarHBondContact O-N 3.11Å
613	C	95.5	Very high	93.5	Very high	1 Å²	1	54.5 Å²	54.5	1%	0.007	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	0.5	178.4	-69.1	0	0	0	0	114.9	R573 V609 A610 I611 H615	R573-C613 PolarHBondContact NH2-O 2.84Å; V609-C613 WeakPolarHBondContact O-CB 3.43Å; V609-C613 PolarHBondContact O-N 2.83Å; V609-C613 PolarHBondContact O-SG 2.94Å; A610-C613 PolarHBondContact O-N 3.47Å; I611-C613 PolarHBondContact O-N 3.35Å; I611-C613 VanDerWaalsContact O-N 3.16Å; C613-H615 VanDerWaalsContact C-N 3.33Å; C613-H615 WeakPolarHBondContact CB-CE1 3.48Å; C613-H615 WeakPolarHBondContact CB-ND1 3.33Å; C613-H615 PolarHBondContact O-CD2 3.02Å; C613-H615 PolarHBondContact O-N 2.91Å
614	N	96	Very high	93.3	Very high	22 Å²	22	60.1 Å²	60.1	12%	0.118	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	45	51.4	-166.6	-160.6	34.6	0	0	0	113.4	R519 Y520 A610 I611 L612 Q616	R519-N614 PolarHBondContact O-ND2 3.04Å; Y520-N614 WeakPolarHBondContact CA-ND2 3.23Å; Y520-N614 HydrophobicContact CD2-CB 3.86Å; Y520-N614 HydrophobicContact CE2-CB 4.41Å; A610-N614 PolarHBondContact O-N 3.09Å; I611-N614 WeakPolarHBondContact O-CA 3.39Å; I611-N614 PolarHBondContact O-N 3.43Å; L612-N614 VanDerWaalsContact C-N 3.32Å; L612-N614 PolarHBondContact O-N 3.11Å; N614-Q616 PolarHBondContact O-N 3.08Å; N614-Q616 VanDerWaalsContact OD1-CG 3.31Å; N614-Q616 WeakPolarHBondContact OD1-CG 3.5Å; N614-Q616 PolarHBondContact OD1-NE2 3.34Å
615	H	94.5	Very high	93.1	Very high	9 Å²	9	62.5 Å²	62.5	4%	0.042	32%	0.319	C	S	.	.			trans	-91	72.8	176.3	-67.1	159.6	0	0	0	110.4	A610 C613 A698 Y706	A610-H615 HydrophobicContact CB-CB 4.23Å; A610-H615 PolarHBondContact O-N 3.17Å; C613-H615 VanDerWaalsContact C-N 3.33Å; C613-H615 WeakPolarHBondContact CB-CE1 3.48Å; C613-H615 WeakPolarHBondContact CB-ND1 3.33Å; C613-H615 PolarHBondContact O-CD2 3.02Å; C613-H615 PolarHBondContact O-N 2.91Å; H615-A698 HydrophobicContact CB-CB 4.4Å; H615-A698 WeakPolarHBondContact O-CB 3.38Å; H615-A698 PolarHBondContact O-N 3.47Å; H615-Y706 AromaticContact CE1-CD2 3.76Å; H615-Y706 AromaticContact CE1-CE2 3.66Å; H615-Y706 AromaticContact NE2-CE2 3.8Å
616	Q	91.2	Very high	92.8	Very high	87 Å²	87	64.7 Å²	64.7	41%	0.407	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-83.3	166.4	177.3	-56	-174.1	12.2	0	0	113.1	I518 R519 N614 Q696	I518-Q616 HydrophobicContact CG2-CB 4.04Å; I518-Q616 HydrophobicContact CG2-CG 4.25Å; R519-Q616 PolarHBondContact O-NE2 3.02Å; N614-Q616 PolarHBondContact O-N 3.08Å; N614-Q616 VanDerWaalsContact OD1-CG 3.31Å; N614-Q616 WeakPolarHBondContact OD1-CG 3.5Å; N614-Q616 PolarHBondContact OD1-NE2 3.34Å; Q616-Q696 CarbonylContact C-O 3.59Å; Q616-Q696 WeakPolarHBondContact CA-O 3.49Å
617	R	89.9	Confident	92.6	Very high	115 Å²	115	66.1 Å²	66.1	43%	0.434	34%	0.341	S	S	.	.			trans	-146	153.4	162.6	60.9	173.5	-179.2	-165.4	-6.1	110.2	N694 K695 Q696 I697 A698	R617-N694 PolarHBondContact NE-O 3.4Å; R617-N694 PolarHBondContact NH2-O 2.85Å; R617-K695 PolarHBondContact NE-O 3.46Å; R617-K695 VanDerWaalsContact NE-O 3.14Å; R617-Q696 PolarHBondContact N-O 3.33Å; R617-Q696 WeakPolarHBondContact O-CA 3.44Å; R617-I697 PolarHBondContact NE-O 3.3Å; R617-A698 HydrophobicContact CB-CB 4.43Å
618	A	88.3	Confident	92.6	Very high	83 Å²	83	68.4 Å²	68.4	69%	0.686	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-61.6	146.2	165.9	0	0	0	0	0	110.7
619	P	88.1	Confident	92.5	Very high	59 Å²	59	71 Å²	71	38%	0.383	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-55.4	136	170.3	-22.9	32.7	0	0	0	111.1	K621 K695 Q696	P619-K621 PolarHBondContact O-N 2.96Å; P619-K695 HydrophobicContact CB-CG 4.4Å; P619-Q696 HydrophobicContact CG-CG 3.81Å
620	P	89.1	Confident	92.4	Very high	55 Å²	55	71.6 Å²	71.6	36%	0.357	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-60.8	133.1	174.6	-23	32.6	0	0	0	111.5	T622 F623	P620-T622 PolarHBondContact O-N 3.38Å; P620-F623 HydrophobicContact CB-CB 4.19Å; P620-F623 HydrophobicContact CG-CB 4.46Å; P620-F623 HydrophobicContact CG-CD2 4.44Å; P620-F623 WeakPolarHBondContact O-CB 3.46Å; P620-F623 PolarHBondContact O-N 3.42Å
621	K	87.9	Confident	92.4	Very high	214 Å²	214	75.6 Å²	75.6	93%	0.93	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-11.1	-179.5	-63.5	-168.6	178.1	-171.6	0	115.1	P619	P619-K621 PolarHBondContact O-N 2.96Å
622	T	90.1	Very high	92.5	Very high	106 Å²	106	75.3 Å²	75.3	65%	0.65	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	11	177.4	53.9	0	0	0	0	113.3	P620 S626	P620-T622 PolarHBondContact O-N 3.38Å; T622-S626 PolarHBondContact O-N 3.43Å
623	F	89.8	Confident	92.6	Very high	21 Å²	21	78.6 Å²	78.6	9%	0.092	40%	0.402	C	S	.	.	H	α-helix	trans	-60.8	-55.4	-170.8	-179.9	-92.4	0	0	0	113.2	P620 K625 S626 M627 E692 K695	P620-F623 HydrophobicContact CB-CB 4.19Å; P620-F623 HydrophobicContact CG-CB 4.46Å; P620-F623 HydrophobicContact CG-CD2 4.44Å; P620-F623 WeakPolarHBondContact O-CB 3.46Å; P620-F623 PolarHBondContact O-N 3.42Å; F623-K625 VanDerWaalsContact C-N 3.33Å; F623-K625 PolarHBondContact O-N 2.88Å; F623-S626 CarbonylContact O-C 3.54Å; F623-S626 WeakPolarHBondContact O-CA 3.29Å; F623-S626 VanDerWaalsContact O-CB 3.26Å; F623-S626 WeakPolarHBondContact O-CB 3.34Å; F623-S626 PolarHBondContact O-N 3.47Å; F623-M627 HydrophobicContact CD1-CG 4.1Å; F623-M627 HydrophobicContact CE1-CG 3.53Å; F623-M627 HydrophobicContact CE2-CG 4.13Å; F623-M627 HydrophobicContact CE2-SD 4.42Å; F623-M627 HydrophobicContact CZ-CG 3.53Å; F623-M627 HydrophobicContact CZ-SD 4.03Å; F623-M627 PolarHBondContact O-N 2.81Å; F623-E692 WeakPolarHBondContact CE1-OE2 3.1Å; F623-E692 WeakPolarHBondContact CZ-OE2 3.49Å; F623-K695 HydrophobicContact CD1-CD 4.26Å; F623-K695 HydrophobicContact CD1-CG 4.09Å; F623-K695 HydrophobicContact CD2-CG 4.31Å; F623-K695 HydrophobicContact CE1-CB 4.45Å; F623-K695 HydrophobicContact CE1-CD 3.82Å; F623-K695 HydrophobicContact CE1-CG 3.83Å; F623-K695 HydrophobicContact CE2-CB 4.14Å; F623-K695 HydrophobicContact CE2-CG 4.05Å; F623-K695 HydrophobicContact CG-CG 4.34Å; F623-K695 HydrophobicContact CZ-CB 3.97Å; F623-K695 HydrophobicContact CZ-CD 4.17Å; F623-K695 HydrophobicContact CZ-CG 3.82Å
624	E	91.5	Very high	92.6	Very high	141 Å²	141	78.7 Å²	78.7	66%	0.659	40%	0.403	S	S	*	.	H	α-helix	trans	-55.5	-47.9	-179.7	-72	152.7	-152.4	0	0	111.6	S626 M627 Q628	E624-S626 PolarHBondContact O-N 3.01Å; E624-M627 PolarHBondContact O-N 3.06Å; E624-Q628 WeakPolarHBondContact O-CG 3.46Å; E624-Q628 PolarHBondContact O-N 3.27Å
625	K	93.4	Very high	92.7	Very high	145 Å²	145	80.8 Å²	80.8	63%	0.63	41%	0.414	S	S	*	.	H	α-helix	trans	-61	-33	174.9	-170.5	162.2	-172.1	158.1	0	112.2	F623 N629	F623-K625 VanDerWaalsContact C-N 3.33Å; F623-K625 PolarHBondContact O-N 2.88Å; K625-N629 VanDerWaalsContact O-CB 3.31Å; K625-N629 WeakPolarHBondContact O-CB 3.39Å; K625-N629 PolarHBondContact O-N 3.14Å; K625-N629 PolarHBondContact O-ND2 3.14Å
626	S	91.9	Very high	92.8	Very high	47 Å²	47	82.4 Å²	82.4	33%	0.329	43%	0.429	S	S	.	.	H	α-helix	trans	-71.2	-34.7	173.9	-149.5	0	0	0	0	112.6	T622 F623 E624 L630 R691	T622-S626 PolarHBondContact O-N 3.43Å; F623-S626 CarbonylContact O-C 3.54Å; F623-S626 WeakPolarHBondContact O-CA 3.29Å; F623-S626 VanDerWaalsContact O-CB 3.26Å; F623-S626 WeakPolarHBondContact O-CB 3.34Å; F623-S626 PolarHBondContact O-N 3.47Å; E624-S626 PolarHBondContact O-N 3.01Å; S626-L630 PolarHBondContact O-N 3.42Å; S626-R691 PolarHBondContact OG-NH1 3.04Å
627	M	94.1	Very high	93	Very high	31 Å²	31	80.2 Å²	80.2	15%	0.153	42%	0.418	C	S	.	.	H	α-helix	trans	-74.3	-44.7	177	-69.7	-56.4	-71.1	0	0	112.1	F623 E624 N629 L630 Q631 A688 R691 E692	F623-M627 HydrophobicContact CD1-CG 4.1Å; F623-M627 HydrophobicContact CE1-CG 3.53Å; F623-M627 HydrophobicContact CE2-CG 4.13Å; F623-M627 HydrophobicContact CE2-SD 4.42Å; F623-M627 HydrophobicContact CZ-CG 3.53Å; F623-M627 HydrophobicContact CZ-SD 4.03Å; F623-M627 PolarHBondContact O-N 2.81Å; E624-M627 PolarHBondContact O-N 3.06Å; M627-N629 VanDerWaalsContact C-N 3.33Å; M627-N629 PolarHBondContact O-N 3.4Å; M627-L630 CarbonylContact O-C 3.57Å; M627-L630 WeakPolarHBondContact O-CA 3.47Å; M627-L630 WeakPolarHBondContact O-CB 3.33Å; M627-L630 PolarHBondContact O-N 2.82Å; M627-Q631 PolarHBondContact O-N 3.41Å; M627-A688 HydrophobicContact CE-CB 4.08Å; M627-R691 HydrophobicContact CE-CB 4.33Å; M627-R691 HydrophobicContact SD-CB 3.6Å; M627-R691 HydrophobicContact SD-CG 4.42Å; M627-E692 HydrophobicContact CE-CB 4.25Å
628	Q	95.1	Very high	93.3	Very high	123 Å²	123	78.9 Å²	78.9	58%	0.575	42%	0.415	S	S	*	.	H	α-helix	trans	-52.9	-50.1	170.2	-70.5	167.6	-12.1	0	0	111	E624 L630 Q631 T632	E624-Q628 WeakPolarHBondContact O-CG 3.46Å; E624-Q628 PolarHBondContact O-N 3.27Å; Q628-L630 PolarHBondContact O-N 3.34Å; Q628-L630 VanDerWaalsContact O-N 3.08Å; Q628-Q631 PolarHBondContact O-N 2.83Å; Q628-T632 PolarHBondContact O-N 3.36Å; Q628-T632 PolarHBondContact O-OG1 2.86Å; Q628-T632 VanDerWaalsContact O-OG1 3.05Å
629	N	95.2	Very high	93.7	Very high	84 Å²	84	79.7 Å²	79.7	45%	0.449	41%	0.408	S	S	.	.	H	α-helix	trans	-65.7	-7.8	176.4	-85	-74.8	0	0	0	115.1	K625 M627 K633	K625-N629 VanDerWaalsContact O-CB 3.31Å; K625-N629 WeakPolarHBondContact O-CB 3.39Å; K625-N629 PolarHBondContact O-N 3.14Å; K625-N629 PolarHBondContact O-ND2 3.14Å; M627-N629 VanDerWaalsContact C-N 3.33Å; M627-N629 PolarHBondContact O-N 3.4Å; N629-K633 VanDerWaalsContact O-CD 3.31Å; N629-K633 WeakPolarHBondContact O-CD 3.23Å; N629-K633 VanDerWaalsContact O-CE 3.25Å; N629-K633 WeakPolarHBondContact O-CE 3.49Å; N629-K633 PolarHBondContact O-NZ 2.77Å
630	L	94.1	Very high	94	Very high	13 Å²	13	81.1 Å²	81.1	7%	0.068	41%	0.409	C	S	.	.	H	α-helix	trans	-100.6	-40.9	172.7	-178.4	56.1	0	0	0	110.5	S626 M627 Q628 K633 I634 L684 A688	S626-L630 PolarHBondContact O-N 3.42Å; M627-L630 CarbonylContact O-C 3.57Å; M627-L630 WeakPolarHBondContact O-CA 3.47Å; M627-L630 WeakPolarHBondContact O-CB 3.33Å; M627-L630 PolarHBondContact O-N 2.82Å; Q628-L630 PolarHBondContact O-N 3.34Å; Q628-L630 VanDerWaalsContact O-N 3.08Å; L630-K633 WeakPolarHBondContact O-CB 3.47Å; L630-K633 PolarHBondContact O-N 2.89Å; L630-I634 HydrophobicContact CG-CD1 4.31Å; L630-I634 PolarHBondContact O-N 3.03Å; L630-L684 HydrophobicContact CD1-CD2 3.9Å; L630-A688 HydrophobicContact CD2-CB 3.82Å; L630-A688 HydrophobicContact CG-CB 4.28Å
631	Q	95.8	Very high	94.3	Very high	84 Å²	84	79.2 Å²	79.2	39%	0.393	40%	0.396	S	S	.	.	H	α-helix	trans	-58.4	-50.2	175.3	-168.8	54.9	47.3	0	0	111.5	M627 Q628 K633 I634 D635	M627-Q631 PolarHBondContact O-N 3.41Å; Q628-Q631 PolarHBondContact O-N 2.83Å; Q631-K633 PolarHBondContact O-N 3.07Å; Q631-I634 WeakPolarHBondContact O-CA 3.33Å; Q631-I634 WeakPolarHBondContact O-CB 3.37Å; Q631-I634 PolarHBondContact O-N 3.47Å; Q631-D635 WeakPolarHBondContact CG-OD2 3.38Å; Q631-D635 PolarHBondContact NE2-OD1 3.27Å; Q631-D635 PolarHBondContact NE2-OD2 3.05Å; Q631-D635 VanDerWaalsContact O-CG 3.24Å; Q631-D635 PolarHBondContact O-N 2.8Å
632	T	96.8	Very high	94.7	Very high	94 Å²	94	72.4 Å²	72.4	58%	0.577	38%	0.376	S	S	*	.	H	α-helix	trans	-56.3	-24.5	175.7	-45.4	0	0	0	0	113.4	Q628 A636	Q628-T632 PolarHBondContact O-N 3.36Å; Q628-T632 PolarHBondContact O-OG1 2.86Å; Q628-T632 VanDerWaalsContact O-OG1 3.05Å; T632-A636 VanDerWaalsContact O-CB 3.29Å; T632-A636 WeakPolarHBondContact O-CB 3.39Å; T632-A636 PolarHBondContact O-N 2.6Å
633	K	96.2	Very high	94.9	Very high	117 Å²	117	70.9 Å²	70.9	51%	0.509	36%	0.363	S	S	.	.	H	α-helix	trans	-86.8	-26	175.6	-65.1	173	-175	135.9	0	113.3	N629 L630 Q631 K637	N629-K633 VanDerWaalsContact O-CD 3.31Å; N629-K633 WeakPolarHBondContact O-CD 3.23Å; N629-K633 VanDerWaalsContact O-CE 3.25Å; N629-K633 WeakPolarHBondContact O-CE 3.49Å; N629-K633 PolarHBondContact O-NZ 2.77Å; L630-K633 WeakPolarHBondContact O-CB 3.47Å; L630-K633 PolarHBondContact O-N 2.89Å; Q631-K633 PolarHBondContact O-N 3.07Å; K633-K637 WeakPolarHBondContact O-CB 3.33Å; K633-K637 WeakPolarHBondContact O-CG 3.33Å; K633-K637 PolarHBondContact O-N 2.86Å
634	I	96.3	Very high	95.1	Very high	3 Å²	3	70.1 Å²	70.1	2%	0.015	36%	0.361	C	S	.	.	H	α-helix	trans	-69.6	-47.2	169.6	-72.1	165.5	0	0	0	108.6	L630 Q631 K637 K638 L681 L684 E685 A688	L630-I634 HydrophobicContact CG-CD1 4.31Å; L630-I634 PolarHBondContact O-N 3.03Å; Q631-I634 WeakPolarHBondContact O-CA 3.33Å; Q631-I634 WeakPolarHBondContact O-CB 3.37Å; Q631-I634 PolarHBondContact O-N 3.47Å; I634-K637 CarbonylContact O-C 3.51Å; I634-K637 WeakPolarHBondContact O-CA 3.27Å; I634-K637 WeakPolarHBondContact O-CB 3.48Å; I634-K637 PolarHBondContact O-N 3.04Å; I634-K638 HydrophobicContact CG2-CD 4.19Å; I634-K638 WeakPolarHBondContact O-CG 3.38Å; I634-K638 PolarHBondContact O-N 2.95Å; I634-L681 HydrophobicContact CG2-CD1 3.91Å; I634-L684 HydrophobicContact CD1-CB 4.45Å; I634-L684 HydrophobicContact CG1-CB 3.7Å; I634-E685 HydrophobicContact CD1-CG 4.13Å; I634-E685 HydrophobicContact CG1-CG 4.16Å; I634-E685 HydrophobicContact CG2-CG 3.77Å; I634-A688 HydrophobicContact CD1-CB 3.77Å
635	D	96.6	Very high	95.2	Very high	65 Å²	65	67.9 Å²	67.9	35%	0.348	35%	0.349	S	S	.	.	H	α-helix	trans	-64.7	-51.6	-178.2	-53.5	-35.7	0	0	0	111	Q631 K637 K638 D639	Q631-D635 WeakPolarHBondContact CG-OD2 3.38Å; Q631-D635 PolarHBondContact NE2-OD1 3.27Å; Q631-D635 PolarHBondContact NE2-OD2 3.05Å; Q631-D635 VanDerWaalsContact O-CG 3.24Å; Q631-D635 PolarHBondContact O-N 2.8Å; D635-K637 PolarHBondContact O-N 2.76Å; D635-K638 WeakPolarHBondContact O-CA 3.36Å; D635-K638 WeakPolarHBondContact O-CB 3.47Å; D635-K638 PolarHBondContact O-N 3.06Å; D635-D639 PolarHBondContact O-N 3.03Å
636	A	96.7	Very high	95.3	Very high	43 Å²	43	68 Å²	68	36%	0.355	35%	0.346	S	S	.	.	H	α-helix	trans	-61.2	-13.3	173	0	0	0	0	0	114.3	T632 Q640	T632-A636 VanDerWaalsContact O-CB 3.29Å; T632-A636 WeakPolarHBondContact O-CB 3.39Å; T632-A636 PolarHBondContact O-N 2.6Å; A636-Q640 VanDerWaalsContact O-CG 3.27Å; A636-Q640 WeakPolarHBondContact O-CG 3.18Å; A636-Q640 PolarHBondContact O-NE2 2.92Å
637	K	96.4	Very high	95.3	Very high	42 Å²	42	69.9 Å²	69.9	18%	0.183	35%	0.349	C	S	.	.	H	α-helix	trans	-92.3	-27.5	170.2	-80.7	-77	169.3	-169.7	0	113.2	K633 I634 D635 Q640 L641 L681 L684	K633-K637 WeakPolarHBondContact O-CB 3.33Å; K633-K637 WeakPolarHBondContact O-CG 3.33Å; K633-K637 PolarHBondContact O-N 2.86Å; I634-K637 CarbonylContact O-C 3.51Å; I634-K637 WeakPolarHBondContact O-CA 3.27Å; I634-K637 WeakPolarHBondContact O-CB 3.48Å; I634-K637 PolarHBondContact O-N 3.04Å; D635-K637 PolarHBondContact O-N 2.76Å; K637-Q640 VanDerWaalsContact CE-OE1 3.26Å; K637-L641 VanDerWaalsContact O-CB 3.3Å; K637-L641 WeakPolarHBondContact O-CB 3.41Å; K637-L641 PolarHBondContact O-N 2.71Å; K637-L681 HydrophobicContact CB-CB 4.49Å; K637-L681 HydrophobicContact CB-CD1 3.97Å; K637-L684 HydrophobicContact CB-CD1 4.46Å; K637-L684 HydrophobicContact CG-CD1 3.87Å
638	K	95.9	Very high	95.3	Very high	86 Å²	86	69.3 Å²	69.3	37%	0.374	35%	0.347	S	S	.	.	H	α-helix	trans	-66.5	-39.9	168	-72	171.4	178.1	175	0	110.8	I634 D635 L641 S642 L681 E685	I634-K638 HydrophobicContact CG2-CD 4.19Å; I634-K638 WeakPolarHBondContact O-CG 3.38Å; I634-K638 PolarHBondContact O-N 2.95Å; D635-K638 WeakPolarHBondContact O-CA 3.36Å; D635-K638 WeakPolarHBondContact O-CB 3.47Å; D635-K638 PolarHBondContact O-N 3.06Å; K638-L641 WeakPolarHBondContact O-CB 3.5Å; K638-L641 PolarHBondContact O-N 3.15Å; K638-S642 WeakPolarHBondContact O-CB 3.12Å; K638-S642 PolarHBondContact O-N 3.29Å; K638-L681 HydrophobicContact CG-CD1 3.86Å; K638-L681 HydrophobicContact CG-CD2 3.75Å; K638-L681 HydrophobicContact CG-CG 4.48Å; K638-E685 WeakPolarHBondContact CE-OE1 3.47Å; K638-E685 IonicContact NZ-OE1 2.99Å; K638-E685 PolarHBondContact NZ-OE1 2.71Å
639	D	96.1	Very high	95.2	Very high	100 Å²	100	71.5 Å²	71.5	54%	0.535	35%	0.354	S	S	.	.	H	α-helix	trans	-61.9	-52.5	174.4	-58.9	-32.2	0	0	0	111.4	D635 L641 S642 D643	D635-D639 PolarHBondContact O-N 3.03Å; D639-L641 PolarHBondContact O-N 3.35Å; D639-S642 WeakPolarHBondContact O-CB 3.48Å; D639-S642 PolarHBondContact O-N 3.19Å; D639-D643 PolarHBondContact O-N 3.17Å
640	Q	95.3	Very high	95.1	Very high	89 Å²	89	70.7 Å²	70.7	42%	0.416	36%	0.355	S	S	.	.	H	α-helix	trans	-57.6	-32.6	175.1	-73	173.5	20	0	0	112.8	A636 K637 A644 I677	A636-Q640 VanDerWaalsContact O-CG 3.27Å; A636-Q640 WeakPolarHBondContact O-CG 3.18Å; A636-Q640 PolarHBondContact O-NE2 2.92Å; K637-Q640 VanDerWaalsContact CE-OE1 3.26Å; Q640-A644 VanDerWaalsContact O-CB 3.28Å; Q640-A644 WeakPolarHBondContact O-CB 3.33Å; Q640-A644 PolarHBondContact O-N 3.36Å; Q640-I677 HydrophobicContact CB-CG2 4.46Å
641	L	95.3	Very high	94.9	Very high	16 Å²	16	70.7 Å²	70.7	8%	0.084	36%	0.357	C	S	.	.	H	α-helix	trans	-73.1	-39.9	175.5	-178.2	55.4	0	0	0	112.2	K637 K638 D639 A644 K645 V674 I677 E678 L681	K637-L641 VanDerWaalsContact O-CB 3.3Å; K637-L641 WeakPolarHBondContact O-CB 3.41Å; K637-L641 PolarHBondContact O-N 2.71Å; K638-L641 WeakPolarHBondContact O-CB 3.5Å; K638-L641 PolarHBondContact O-N 3.15Å; D639-L641 PolarHBondContact O-N 3.35Å; L641-A644 PolarHBondContact O-N 2.96Å; L641-K645 HydrophobicContact CD1-CD 4.09Å; L641-K645 HydrophobicContact CD1-CG 4.29Å; L641-K645 HydrophobicContact CG-CD 4.12Å; L641-K645 VanDerWaalsContact O-CB 3.32Å; L641-K645 WeakPolarHBondContact O-CB 3.35Å; L641-K645 VanDerWaalsContact O-CG 3.3Å; L641-K645 WeakPolarHBondContact O-CG 3.39Å; L641-K645 PolarHBondContact O-N 2.9Å; L641-V674 HydrophobicContact CD1-CG1 3.96Å; L641-I677 HydrophobicContact CB-CG2 3.79Å; L641-I677 HydrophobicContact CD1-CB 4.31Å; L641-I677 HydrophobicContact CD1-CG2 4.14Å; L641-I677 HydrophobicContact CG-CG2 4.5Å; L641-E678 HydrophobicContact CD1-CG 3.44Å; L641-E678 VanDerWaalsContact CD1-CG 3.44Å; L641-E678 HydrophobicContact CD2-CG 3.83Å; L641-E678 HydrophobicContact CG-CG 4.3Å; L641-L681 HydrophobicContact CD2-CD2 3.62Å
642	S	95.4	Very high	94.7	Very high	71 Å²	71	72.1 Å²	72.1	50%	0.497	36%	0.362	S	S	.	.	H	α-helix	trans	-61.6	-47.7	175.1	-169.4	0	0	0	0	111	K638 D639 K645 R646	K638-S642 WeakPolarHBondContact O-CB 3.12Å; K638-S642 PolarHBondContact O-N 3.29Å; D639-S642 WeakPolarHBondContact O-CB 3.48Å; D639-S642 PolarHBondContact O-N 3.19Å; S642-K645 PolarHBondContact O-N 3.45Å; S642-R646 PolarHBondContact O-N 3.36Å
643	D	94.8	Very high	94.4	Very high	73 Å²	73	70.1 Å²	70.1	39%	0.39	36%	0.355	S	S	.	.	H	α-helix	trans	-59.3	-51.5	174.5	-75.1	-21.3	0	0	0	111.8	D639 K645 R646 E647	D639-D643 PolarHBondContact O-N 3.17Å; D643-K645 PolarHBondContact O-N 3.46Å; D643-R646 WeakPolarHBondContact O-CA 3.27Å; D643-R646 WeakPolarHBondContact O-CB 3.35Å; D643-R646 PolarHBondContact O-N 2.91Å; D643-R646 IonicContact OD1-CZ 3.13Å; D643-R646 IonicContact OD1-NH1 2.69Å; D643-R646 PolarHBondContact OD1-NH1 2.68Å; D643-R646 IonicContact OD1-NH2 2.71Å; D643-R646 PolarHBondContact OD1-NH2 2.91Å; D643-E647 WeakPolarHBondContact O-CG 3.28Å; D643-E647 PolarHBondContact O-N 2.87Å
644	A	94.1	Very high	94	Very high	6 Å²	6	68.1 Å²	68.1	5%	0.05	35%	0.35	C	S	.	.	H	α-helix	trans	-61.6	-32.4	178.7	0	0	0	0	0	112.7	Q640 L641 L648 V674 I677	Q640-A644 VanDerWaalsContact O-CB 3.28Å; Q640-A644 WeakPolarHBondContact O-CB 3.33Å; Q640-A644 PolarHBondContact O-N 3.36Å; L641-A644 PolarHBondContact O-N 2.96Å; A644-L648 WeakPolarHBondContact O-CB 3.33Å; A644-L648 PolarHBondContact O-N 3.17Å; A644-V674 HydrophobicContact CB-CG2 3.75Å; A644-V674 VanDerWaalsContact O-CG2 3.31Å; A644-V674 WeakPolarHBondContact O-CG2 3.22Å; A644-I677 HydrophobicContact CB-CD1 3.69Å
645	K	94.3	Very high	93.5	Very high	93 Å²	93	68.8 Å²	68.8	40%	0.404	36%	0.356	S	S	.	.	H	α-helix	trans	-71.2	-36.8	172.8	-78.8	174.2	173.5	169.4	0	112.2	L641 S642 D643 L648 K649 V674 E678	L641-K645 HydrophobicContact CD1-CD 4.09Å; L641-K645 HydrophobicContact CD1-CG 4.29Å; L641-K645 HydrophobicContact CG-CD 4.12Å; L641-K645 VanDerWaalsContact O-CB 3.32Å; L641-K645 WeakPolarHBondContact O-CB 3.35Å; L641-K645 VanDerWaalsContact O-CG 3.3Å; L641-K645 WeakPolarHBondContact O-CG 3.39Å; L641-K645 PolarHBondContact O-N 2.9Å; S642-K645 PolarHBondContact O-N 3.45Å; D643-K645 PolarHBondContact O-N 3.46Å; K645-L648 PolarHBondContact O-N 3.4Å; K645-K649 WeakPolarHBondContact O-CB 3.31Å; K645-K649 PolarHBondContact O-N 2.93Å; K645-V674 HydrophobicContact CG-CG1 3.98Å; K645-V674 HydrophobicContact CG-CG2 4.15Å; K645-E678 WeakPolarHBondContact CE-OE1 3.48Å; K645-E678 IonicContact NZ-OE1 2.7Å; K645-E678 PolarHBondContact NZ-OE1 3.15Å
646	R	94.9	Very high	93.1	Very high	149 Å²	149	73.7 Å²	73.7	56%	0.562	37%	0.374	S	S	*	.	H	α-helix	trans	-63.4	-46.5	171.8	-173.4	172.2	68.4	-103.5	-2	111.3	S642 D643 L648 K649 S650	S642-R646 PolarHBondContact O-N 3.36Å; D643-R646 WeakPolarHBondContact O-CA 3.27Å; D643-R646 WeakPolarHBondContact O-CB 3.35Å; D643-R646 PolarHBondContact O-N 2.91Å; D643-R646 IonicContact OD1-CZ 3.13Å; D643-R646 IonicContact OD1-NH1 2.69Å; D643-R646 PolarHBondContact OD1-NH1 2.68Å; D643-R646 IonicContact OD1-NH2 2.71Å; D643-R646 PolarHBondContact OD1-NH2 2.91Å; R646-L648 PolarHBondContact O-N 3.01Å; R646-K649 WeakPolarHBondContact O-CB 3.23Å; R646-K649 PolarHBondContact O-N 3.37Å; R646-S650 PolarHBondContact O-N 2.78Å
647	E	92.9	Very high	92.6	Very high	86 Å²	86	77.3 Å²	77.3	40%	0.402	39%	0.392	S	S	.	.	H	α-helix	trans	-59.4	-44.3	174	-67.1	-169.3	120	0	0	112.3	D643 K649 S650 A651 K670	D643-E647 WeakPolarHBondContact O-CG 3.28Å; D643-E647 PolarHBondContact O-N 2.87Å; E647-K649 VanDerWaalsContact C-N 3.31Å; E647-K649 PolarHBondContact O-N 3.48Å; E647-S650 PolarHBondContact O-N 2.95Å; E647-A651 WeakPolarHBondContact O-CB 3.23Å; E647-A651 PolarHBondContact O-N 3.16Å; E647-K670 HydrophobicContact CB-CD 4.1Å; E647-K670 IonicContact OE1-NZ 2.79Å; E647-K670 PolarHBondContact OE1-NZ 3.22Å; E647-K670 WeakPolarHBondContact OE2-CE 3.26Å; E647-K670 IonicContact OE2-NZ 3.28Å; E647-K670 PolarHBondContact OE2-NZ 3.14Å
648	L	93.4	Very high	92	Very high	18 Å²	18	83.5 Å²	83.5	9%	0.094	41%	0.414	C	S	.	.	H	α-helix	trans	-65.2	-33.5	176.8	179.4	58.6	0	0	0	112.3	A644 K645 R646 K652 V667 K670 R671 V674	A644-L648 WeakPolarHBondContact O-CB 3.33Å; A644-L648 PolarHBondContact O-N 3.17Å; K645-L648 PolarHBondContact O-N 3.4Å; R646-L648 PolarHBondContact O-N 3.01Å; L648-K652 HydrophobicContact CD1-CD 4.45Å; L648-K652 HydrophobicContact CD1-CG 4.35Å; L648-K652 HydrophobicContact CG-CD 4.39Å; L648-K652 WeakPolarHBondContact O-CB 3.32Å; L648-K652 VanDerWaalsContact O-CG 3.23Å; L648-K652 WeakPolarHBondContact O-CG 3.48Å; L648-K652 PolarHBondContact O-N 3.21Å; L648-K652 VanDerWaalsContact O-N 3.09Å; L648-V667 HydrophobicContact CD1-CG1 4.16Å; L648-K670 HydrophobicContact CB-CB 4.25Å; L648-K670 HydrophobicContact CD1-CB 3.99Å; L648-R671 HydrophobicContact CD1-CB 4.16Å; L648-R671 HydrophobicContact CD2-CB 4.4Å; L648-V674 HydrophobicContact CB-CG2 4.18Å; L648-V674 HydrophobicContact CD2-CB 4.36Å; L648-V674 HydrophobicContact CD2-CG2 3.92Å
649	K	93.8	Very high	91.2	Very high	170 Å²	170	88.4 Å²	88.4	74%	0.739	43%	0.43	S	S	*	.	H	α-helix	trans	-66.6	-45	174	-171.7	-178.6	178.8	-175.9	0	111.2	K645 R646 E647 K652 A653	K645-K649 WeakPolarHBondContact O-CB 3.31Å; K645-K649 PolarHBondContact O-N 2.93Å; R646-K649 WeakPolarHBondContact O-CB 3.23Å; R646-K649 PolarHBondContact O-N 3.37Å; E647-K649 VanDerWaalsContact C-N 3.31Å; E647-K649 PolarHBondContact O-N 3.48Å; K649-K652 PolarHBondContact O-N 2.76Å; K649-A653 PolarHBondContact O-N 2.76Å; K649-A653 VanDerWaalsContact O-N 3.15Å
650	S	91.8	Very high	90.7	Very high	66 Å²	66	86.7 Å²	86.7	46%	0.462	42%	0.421	S	S	.	.	H	α-helix	trans	-61	-52.4	174.3	155.3	0	0	0	0	111.7	R646 E647 K652 A653 D654	R646-S650 PolarHBondContact O-N 2.78Å; E647-S650 PolarHBondContact O-N 2.95Å; S650-K652 PolarHBondContact O-N 2.68Å; S650-A653 WeakPolarHBondContact O-CA 3.31Å; S650-A653 WeakPolarHBondContact O-CB 3.2Å; S650-A653 PolarHBondContact O-N 2.83Å; S650-D654 PolarHBondContact O-N 3.44Å
651	A	90	Very high	90.1	Very high	13 Å²	13	88.5 Å²	88.5	11%	0.107	43%	0.429	C	S	.	.	H	α-helix	trans	-58.4	-35.5	179	0	0	0	0	0	112.7	E647 A655 V667 K670	E647-A651 WeakPolarHBondContact O-CB 3.23Å; E647-A651 PolarHBondContact O-N 3.16Å; A651-A655 VanDerWaalsContact O-CB 3.31Å; A651-A655 WeakPolarHBondContact O-CB 3.31Å; A651-A655 PolarHBondContact O-N 2.73Å; A651-V667 HydrophobicContact CB-CG2 3.88Å; A651-V667 WeakPolarHBondContact O-CG2 3.24Å; A651-K670 HydrophobicContact CB-CG 4.45Å
652	K	91.1	Very high	89.6	Confident	114 Å²	114	96 Å²	96	50%	0.496	46%	0.461	S	S	.	.	H	α-helix	trans	-68	-30.7	174	-79.6	175.3	177.2	-177.2	0	113.3	L648 K649 S650 K656 V667	L648-K652 HydrophobicContact CD1-CD 4.45Å; L648-K652 HydrophobicContact CD1-CG 4.35Å; L648-K652 HydrophobicContact CG-CD 4.39Å; L648-K652 WeakPolarHBondContact O-CB 3.32Å; L648-K652 VanDerWaalsContact O-CG 3.23Å; L648-K652 WeakPolarHBondContact O-CG 3.48Å; L648-K652 PolarHBondContact O-N 3.21Å; L648-K652 VanDerWaalsContact O-N 3.09Å; K649-K652 PolarHBondContact O-N 2.76Å; S650-K652 PolarHBondContact O-N 2.68Å; K652-K656 WeakPolarHBondContact O-CG 3.34Å; K652-K656 PolarHBondContact O-N 2.79Å; K652-V667 HydrophobicContact CG-CG1 3.91Å; K652-V667 HydrophobicContact CG-CG2 4.2Å
653	A	90.8	Very high	89	Confident	52 Å²	52	93.2 Å²	93.2	43%	0.43	44%	0.442	S	S	.	.	H	α-helix	trans	-72	-49.8	173.2	0	0	0	0	0	110.5	K649 S650 A655 K656 V657	K649-A653 PolarHBondContact O-N 2.76Å; K649-A653 VanDerWaalsContact O-N 3.15Å; S650-A653 WeakPolarHBondContact O-CA 3.31Å; S650-A653 WeakPolarHBondContact O-CB 3.2Å; S650-A653 PolarHBondContact O-N 2.83Å; A653-A655 VanDerWaalsContact C-N 3.27Å; A653-A655 PolarHBondContact O-N 3.08Å; A653-K656 WeakPolarHBondContact O-CB 3.39Å; A653-K656 PolarHBondContact O-N 3.18Å; A653-V657 PolarHBondContact O-N 2.87Å; A653-V657 VanDerWaalsContact O-N 3.17Å
654	D	87.1	Confident	88.5	Confident	75 Å²	75	95.7 Å²	95.7	40%	0.401	45%	0.449	S	S	.	.	H	α-helix	trans	-56.5	-41.3	177.7	-67.7	-15.6	0	0	0	112.1	S650 K656 V657 R658	S650-D654 PolarHBondContact O-N 3.44Å; D654-K656 VanDerWaalsContact C-N 3.34Å; D654-K656 PolarHBondContact O-N 3.19Å; D654-V657 PolarHBondContact O-N 2.88Å; D654-R658 WeakPolarHBondContact O-CB 3.34Å; D654-R658 PolarHBondContact O-N 3.46Å
655	A	87.7	Confident	88.3	Confident	18 Å²	18	100.3 Å²	100.3	15%	0.149	47%	0.468	C	S	.	.	H	α-helix	trans	-67.9	-27.9	177.2	0	0	0	0	0	113.9	A651 A653 R659 V667	A651-A655 VanDerWaalsContact O-CB 3.31Å; A651-A655 WeakPolarHBondContact O-CB 3.31Å; A651-A655 PolarHBondContact O-N 2.73Å; A653-A655 VanDerWaalsContact C-N 3.27Å; A653-A655 PolarHBondContact O-N 3.08Å; A655-R659 WeakPolarHBondContact O-CA 3.1Å; A655-R659 PolarHBondContact O-N 3.41Å; A655-R659 VanDerWaalsContact O-N 3.15Å; A655-V667 HydrophobicContact CB-CG2 3.79Å
656	K	87.6	Confident	88	Confident	167 Å²	167	98 Å²	98	73%	0.726	47%	0.466	S	S	*	.	H	α-helix	trans	-71	-37	172.2	-79.7	-176.8	173	-167.3	0	112	K652 A653 D654 R659	K652-K656 WeakPolarHBondContact O-CG 3.34Å; K652-K656 PolarHBondContact O-N 2.79Å; A653-K656 WeakPolarHBondContact O-CB 3.39Å; A653-K656 PolarHBondContact O-N 3.18Å; D654-K656 VanDerWaalsContact C-N 3.34Å; D654-K656 PolarHBondContact O-N 3.19Å; K656-R659 WeakPolarHBondContact O-CG 3.15Å; K656-R659 PolarHBondContact O-NE 3.11Å
657	V	86.9	Confident	87.8	Confident	120 Å²	120	92.2 Å²	92.2	73%	0.727	45%	0.447	S	S	*	.	H	α-helix	trans	-76.3	-55.6	-179.9	178.2	0	0	0	0	110.9	A653 D654	A653-V657 PolarHBondContact O-N 2.87Å; A653-V657 VanDerWaalsContact O-N 3.17Å; D654-V657 PolarHBondContact O-N 2.88Å
658	R	82.8	Confident	87.7	Confident	171 Å²	171	92.7 Å²	92.7	65%	0.645	45%	0.449	S	S	*	.	H	α-helix	trans	-80.3	-29.2	-172.4	-59.4	-176.3	-172.5	-142.8	1.3	114.2	D654 D660	D654-R658 WeakPolarHBondContact O-CB 3.34Å; D654-R658 PolarHBondContact O-N 3.46Å; R658-D660 PolarHBondContact O-N 3.4Å
659	R	79.8	Confident	87.7	Confident	189 Å²	189	96 Å²	96	71%	0.713	47%	0.471	S	S	*	.			trans	56.5	-4.8	179.1	-57.7	-175.2	177.2	-169.5	0.3	117.6	A655 K656 K664	A655-R659 WeakPolarHBondContact O-CA 3.1Å; A655-R659 PolarHBondContact O-N 3.41Å; A655-R659 VanDerWaalsContact O-N 3.15Å; K656-R659 WeakPolarHBondContact O-CG 3.15Å; K656-R659 PolarHBondContact O-NE 3.11Å; R659-K664 VanDerWaalsContact O-CE 3.25Å; R659-K664 WeakPolarHBondContact O-CE 3.23Å; R659-K664 PolarHBondContact O-NZ 3.4Å
660	D	84.8	Confident	87.7	Confident	64 Å²	64	91 Å²	91	34%	0.342	45%	0.449	S	S	.	.	S	Bend	trans	-62.3	169.2	178.8	67.3	34.8	0	0	0	114.1	R658 K662 S663 K664	R658-D660 PolarHBondContact O-N 3.4Å; D660-K662 VanDerWaalsContact C-N 3.33Å; D660-K662 PolarHBondContact OD1-N 2.74Å; D660-S663 PolarHBondContact O-OG 3.28Å; D660-S663 WeakPolarHBondContact OD1-CB 3.35Å; D660-S663 PolarHBondContact OD1-N 2.72Å; D660-S663 PolarHBondContact OD1-OG 3.09Å; D660-K664 WeakPolarHBondContact O-CD 3.3Å; D660-K664 WeakPolarHBondContact O-CG 3.41Å
661	E	82.5	Confident	87.8	Confident	128 Å²	128	95.1 Å²	95.1	60%	0.598	45%	0.454	S	S	*	.	H	α-helix	trans	-67.3	-31.2	173.7	-83	-145.2	116.2	0	0	113.6	K664 K665	E661-K664 PolarHBondContact O-N 3.28Å; E661-K665 WeakPolarHBondContact O-CB 3.16Å; E661-K665 VanDerWaalsContact O-CG 3.31Å; E661-K665 WeakPolarHBondContact O-CG 3.49Å; E661-K665 PolarHBondContact O-N 2.92Å; E661-K665 WeakPolarHBondContact OE1-CE 3.46Å; E661-K665 IonicContact OE1-NZ 2.64Å; E661-K665 PolarHBondContact OE1-NZ 3.26Å; E661-K665 IonicContact OE2-NZ 3.44Å; E661-K665 PolarHBondContact OE2-NZ 3.25Å
662	K	85.9	Confident	88	Confident	173 Å²	173	99.7 Å²	99.7	75%	0.752	47%	0.472	S	S	*	.	H	α-helix	trans	-68.4	-43.7	-170	-171.4	175.7	-179.5	178	0	110.9	D660 K665 A666	D660-K662 VanDerWaalsContact C-N 3.33Å; D660-K662 PolarHBondContact OD1-N 2.74Å; K662-K665 PolarHBondContact O-N 3.45Å; K662-A666 WeakPolarHBondContact O-CB 3.32Å; K662-A666 PolarHBondContact O-N 3.45Å
663	S	81.3	Confident	88.1	Confident	12 Å²	12	95.2 Å²	95.2	8%	0.084	46%	0.456	C	S	.	.	H	α-helix	trans	-67.9	-40.3	173.5	59.9	0	0	0	0	112.2	D660 K665 A666 V667	D660-S663 PolarHBondContact O-OG 3.28Å; D660-S663 WeakPolarHBondContact OD1-CB 3.35Å; D660-S663 PolarHBondContact OD1-N 2.72Å; D660-S663 PolarHBondContact OD1-OG 3.09Å; S663-K665 PolarHBondContact O-N 3.05Å; S663-A666 WeakPolarHBondContact O-CB 3.41Å; S663-A666 PolarHBondContact O-N 2.96Å; S663-V667 WeakPolarHBondContact O-CG2 3.13Å; S663-V667 PolarHBondContact O-N 3.01Å
664	K	85.9	Confident	88.2	Confident	125 Å²	125	93 Å²	93	54%	0.543	44%	0.437	S	S	.	.	H	α-helix	trans	-58.4	-47.4	171.2	-70.7	167.8	-178.5	158.6	0	111.7	R659 D660 E661 A666 V667 E668	R659-K664 VanDerWaalsContact O-CE 3.25Å; R659-K664 WeakPolarHBondContact O-CE 3.23Å; R659-K664 PolarHBondContact O-NZ 3.4Å; D660-K664 WeakPolarHBondContact O-CD 3.3Å; D660-K664 WeakPolarHBondContact O-CG 3.41Å; E661-K664 PolarHBondContact O-N 3.28Å; K664-A666 VanDerWaalsContact C-N 3.32Å; K664-A666 PolarHBondContact O-N 2.77Å; K664-V667 PolarHBondContact O-N 3.18Å; K664-E668 PolarHBondContact O-N 3.49Å
665	K	89.6	Confident	88.5	Confident	104 Å²	104	93.3 Å²	93.3	45%	0.452	44%	0.436	S	S	.	.	H	α-helix	trans	-65	-33.3	176.2	-72.4	165.2	-177.1	169.9	0	112.2	E661 K662 S663 T669	E661-K665 WeakPolarHBondContact O-CB 3.16Å; E661-K665 VanDerWaalsContact O-CG 3.31Å; E661-K665 WeakPolarHBondContact O-CG 3.49Å; E661-K665 PolarHBondContact O-N 2.92Å; E661-K665 WeakPolarHBondContact OE1-CE 3.46Å; E661-K665 IonicContact OE1-NZ 2.64Å; E661-K665 PolarHBondContact OE1-NZ 3.26Å; E661-K665 IonicContact OE2-NZ 3.44Å; E661-K665 PolarHBondContact OE2-NZ 3.25Å; K662-K665 PolarHBondContact O-N 3.45Å; S663-K665 PolarHBondContact O-N 3.05Å; K665-T669 WeakPolarHBondContact O-CB 3.47Å; K665-T669 PolarHBondContact O-N 2.96Å; K665-T669 PolarHBondContact O-OG1 2.96Å
666	A	87.9	Confident	88.7	Confident	43 Å²	43	99.2 Å²	99.2	36%	0.355	46%	0.455	S	S	.	.	H	α-helix	trans	-66.9	-44.3	172	0	0	0	0	0	112.6	K662 S663 K664 E668 T669 K670	K662-A666 WeakPolarHBondContact O-CB 3.32Å; K662-A666 PolarHBondContact O-N 3.45Å; S663-A666 WeakPolarHBondContact O-CB 3.41Å; S663-A666 PolarHBondContact O-N 2.96Å; K664-A666 VanDerWaalsContact C-N 3.32Å; K664-A666 PolarHBondContact O-N 2.77Å; A666-E668 PolarHBondContact O-N 2.69Å; A666-T669 PolarHBondContact O-N 2.74Å; A666-K670 PolarHBondContact O-N 3.35Å
667	V	90.5	Very high	89	Confident	28 Å²	28	92.5 Å²	92.5	17%	0.17	43%	0.426	C	S	.	.	H	α-helix	trans	-59.5	-44.7	174.7	170	0	0	0	0	111.4	L648 A651 K652 A655 S663 K664 T669 K670 R671	L648-V667 HydrophobicContact CD1-CG1 4.16Å; A651-V667 HydrophobicContact CB-CG2 3.88Å; A651-V667 WeakPolarHBondContact O-CG2 3.24Å; K652-V667 HydrophobicContact CG-CG1 3.91Å; K652-V667 HydrophobicContact CG-CG2 4.2Å; A655-V667 HydrophobicContact CB-CG2 3.79Å; S663-V667 WeakPolarHBondContact O-CG2 3.13Å; S663-V667 PolarHBondContact O-N 3.01Å; K664-V667 PolarHBondContact O-N 3.18Å; V667-T669 VanDerWaalsContact C-N 3.34Å; V667-T669 PolarHBondContact O-N 2.71Å; V667-K670 PolarHBondContact O-N 2.82Å; V667-R671 VanDerWaalsContact O-CB 3.31Å; V667-R671 WeakPolarHBondContact O-CB 3.25Å; V667-R671 PolarHBondContact O-N 3.46Å
668	E	91.5	Very high	89.3	Confident	96 Å²	96	90.2 Å²	90.2	45%	0.449	41%	0.408	S	S	.	.	H	α-helix	trans	-61.1	-44	176.2	-164.3	-157.6	144.6	0	0	111.5	K664 A666 R671 K672	K664-E668 PolarHBondContact O-N 3.49Å; A666-E668 PolarHBondContact O-N 2.69Å; E668-R671 PolarHBondContact O-N 2.86Å; E668-K672 HydrophobicContact CG-CD 4.47Å; E668-K672 PolarHBondContact O-N 3.38Å; E668-K672 VanDerWaalsContact OE1-CE 3.3Å; E668-K672 WeakPolarHBondContact OE1-CE 3.37Å; E668-K672 IonicContact OE1-NZ 3.5Å; E668-K672 PolarHBondContact OE1-NZ 3.36Å
669	T	93.1	Very high	89.6	Confident	88 Å²	88	88 Å²	88	54%	0.54	41%	0.405	S	S	.	.	H	α-helix	trans	-63.4	-44.9	179	-58.6	0	0	0	0	111.9	K665 A666 V667 K672 A673	K665-T669 WeakPolarHBondContact O-CB 3.47Å; K665-T669 PolarHBondContact O-N 2.96Å; K665-T669 PolarHBondContact O-OG1 2.96Å; A666-T669 PolarHBondContact O-N 2.74Å; V667-T669 VanDerWaalsContact C-N 3.34Å; V667-T669 PolarHBondContact O-N 2.71Å; T669-K672 PolarHBondContact O-N 2.77Å; T669-A673 PolarHBondContact O-N 3.28Å
670	K	93	Very high	90.3	Very high	65 Å²	65	83.2 Å²	83.2	28%	0.283	39%	0.39	S	S	.	.	H	α-helix	trans	-68.8	-35.1	175.4	-67.1	-62.4	-167.8	179.8	0	112	E647 L648 A651 A666 V667 A673 V674	E647-K670 HydrophobicContact CB-CD 4.1Å; E647-K670 IonicContact OE1-NZ 2.79Å; E647-K670 PolarHBondContact OE1-NZ 3.22Å; E647-K670 WeakPolarHBondContact OE2-CE 3.26Å; E647-K670 IonicContact OE2-NZ 3.28Å; E647-K670 PolarHBondContact OE2-NZ 3.14Å; L648-K670 HydrophobicContact CB-CB 4.25Å; L648-K670 HydrophobicContact CD1-CB 3.99Å; A651-K670 HydrophobicContact CB-CG 4.45Å; A666-K670 PolarHBondContact O-N 3.35Å; V667-K670 PolarHBondContact O-N 2.82Å; K670-A673 WeakPolarHBondContact O-CA 3.33Å; K670-A673 WeakPolarHBondContact O-CB 3.41Å; K670-A673 PolarHBondContact O-N 3.32Å; K670-A673 VanDerWaalsContact O-N 3.08Å; K670-V674 PolarHBondContact O-N 2.99Å
671	R	93.7	Very high	90.7	Very high	152 Å²	152	80.8 Å²	80.8	57%	0.574	38%	0.377	S	S	*	.	H	α-helix	trans	-60.7	-47.6	172.6	-175.5	-178.7	-178.5	177.3	1.2	111.1	L648 V667 E668 A673 V674 Q675	L648-R671 HydrophobicContact CD1-CB 4.16Å; L648-R671 HydrophobicContact CD2-CB 4.4Å; V667-R671 VanDerWaalsContact O-CB 3.31Å; V667-R671 WeakPolarHBondContact O-CB 3.25Å; V667-R671 PolarHBondContact O-N 3.46Å; E668-R671 PolarHBondContact O-N 2.86Å; R671-A673 PolarHBondContact O-N 2.96Å; R671-V674 PolarHBondContact O-N 3.09Å; R671-Q675 WeakPolarHBondContact O-CG 3.36Å; R671-Q675 PolarHBondContact O-N 3Å; R671-Q675 PolarHBondContact O-OE1 3.2Å
672	K	93.9	Very high	91.1	Very high	109 Å²	109	78 Å²	78	47%	0.474	37%	0.366	S	S	.	.	H	α-helix	trans	-66.5	-18.7	173.6	-73.5	175.2	171.4	174	0	113.3	E668 T669 R676	E668-K672 HydrophobicContact CG-CD 4.47Å; E668-K672 PolarHBondContact O-N 3.38Å; E668-K672 VanDerWaalsContact OE1-CE 3.3Å; E668-K672 WeakPolarHBondContact OE1-CE 3.37Å; E668-K672 IonicContact OE1-NZ 3.5Å; E668-K672 PolarHBondContact OE1-NZ 3.36Å; T669-K672 PolarHBondContact O-N 2.77Å; K672-R676 WeakPolarHBondContact O-CG 3.49Å; K672-R676 PolarHBondContact O-NE 2.88Å
673	A	92.9	Very high	91.4	Very high	20 Å²	20	75 Å²	75	17%	0.165	35%	0.352	C	S	.	.	H	α-helix	trans	-77.1	-49.4	170.4	0	0	0	0	0	111.2	T669 K670 R671 Q675 R676 I677	T669-A673 PolarHBondContact O-N 3.28Å; K670-A673 WeakPolarHBondContact O-CA 3.33Å; K670-A673 WeakPolarHBondContact O-CB 3.41Å; K670-A673 PolarHBondContact O-N 3.32Å; K670-A673 VanDerWaalsContact O-N 3.08Å; R671-A673 PolarHBondContact O-N 2.96Å; A673-Q675 PolarHBondContact O-N 3.17Å; A673-R676 PolarHBondContact O-N 3.26Å; A673-I677 WeakPolarHBondContact O-CG1 3.23Å; A673-I677 PolarHBondContact O-N 2.98Å
674	V	94.4	Very high	92	Very high	7 Å²	7	76 Å²	76	4%	0.042	36%	0.357	C	S	.	.	H	α-helix	trans	-54.7	-52.5	175.7	170.5	0	0	0	0	111.1	L641 A644 K645 L648 K670 R671 R676 I677 E678	L641-V674 HydrophobicContact CD1-CG1 3.96Å; A644-V674 HydrophobicContact CB-CG2 3.75Å; A644-V674 VanDerWaalsContact O-CG2 3.31Å; A644-V674 WeakPolarHBondContact O-CG2 3.22Å; K645-V674 HydrophobicContact CG-CG1 3.98Å; K645-V674 HydrophobicContact CG-CG2 4.15Å; L648-V674 HydrophobicContact CB-CG2 4.18Å; L648-V674 HydrophobicContact CD2-CB 4.36Å; L648-V674 HydrophobicContact CD2-CG2 3.92Å; K670-V674 PolarHBondContact O-N 2.99Å; R671-V674 PolarHBondContact O-N 3.09Å; V674-R676 VanDerWaalsContact C-N 3.35Å; V674-R676 PolarHBondContact O-N 3.42Å; V674-I677 WeakPolarHBondContact O-CA 3.2Å; V674-I677 PolarHBondContact O-N 3.49Å; V674-E678 HydrophobicContact CG1-CG 4.26Å; V674-E678 WeakPolarHBondContact O-CG 3.16Å; V674-E678 PolarHBondContact O-N 3.04Å
675	Q	92.3	Very high	92.3	Very high	81 Å²	81	73.1 Å²	73.1	38%	0.379	35%	0.345	S	S	.	.	H	α-helix	trans	-55.8	-45	-179.4	-69.8	174.3	-68.7	0	0	112.9	R671 A673 I677 E678 E679	R671-Q675 WeakPolarHBondContact O-CG 3.36Å; R671-Q675 PolarHBondContact O-N 3Å; R671-Q675 PolarHBondContact O-OE1 3.2Å; A673-Q675 PolarHBondContact O-N 3.17Å; Q675-I677 VanDerWaalsContact C-N 3.26Å; Q675-I677 PolarHBondContact O-N 3.46Å; Q675-E678 PolarHBondContact O-N 2.9Å; Q675-E679 WeakPolarHBondContact O-CG 3.29Å; Q675-E679 PolarHBondContact O-N 2.94Å
676	R	93.2	Very high	92.5	Very high	141 Å²	141	69.2 Å²	69.2	53%	0.532	33%	0.33	S	S	.	.	H	α-helix	trans	-66.5	-23.7	177.1	-74.8	-179.3	-65.4	145.8	2.4	113.8	K672 A673 V674 Q680	K672-R676 WeakPolarHBondContact O-CG 3.49Å; K672-R676 PolarHBondContact O-NE 2.88Å; A673-R676 PolarHBondContact O-N 3.26Å; V674-R676 VanDerWaalsContact C-N 3.35Å; V674-R676 PolarHBondContact O-N 3.42Å; R676-Q680 WeakPolarHBondContact O-CG 3.46Å; R676-Q680 PolarHBondContact O-N 2.93Å; R676-Q680 PolarHBondContact O-NE2 2.95Å
677	I	93.8	Very high	92.6	Very high	26 Å²	26	71.2 Å²	71.2	13%	0.133	33%	0.332	C	S	.	.	H	α-helix	trans	-82.9	-38	174.5	-62.8	165.7	0	0	0	109.8	Q640 L641 A644 A673 V674 Q675 Q680 L681	Q640-I677 HydrophobicContact CB-CG2 4.46Å; L641-I677 HydrophobicContact CB-CG2 3.79Å; L641-I677 HydrophobicContact CD1-CB 4.31Å; L641-I677 HydrophobicContact CD1-CG2 4.14Å; L641-I677 HydrophobicContact CG-CG2 4.5Å; A644-I677 HydrophobicContact CB-CD1 3.69Å; A673-I677 WeakPolarHBondContact O-CG1 3.23Å; A673-I677 PolarHBondContact O-N 2.98Å; V674-I677 WeakPolarHBondContact O-CA 3.2Å; V674-I677 PolarHBondContact O-N 3.49Å; Q675-I677 VanDerWaalsContact C-N 3.26Å; Q675-I677 PolarHBondContact O-N 3.46Å; I677-Q680 PolarHBondContact O-N 2.86Å; I677-L681 WeakPolarHBondContact O-CB 3.44Å; I677-L681 PolarHBondContact O-N 3.28Å
678	E	92.3	Very high	92.8	Very high	73 Å²	73	70.5 Å²	70.5	34%	0.341	33%	0.329	S	S	.	.	H	α-helix	trans	-60.8	-46.2	173.3	-67	176.7	139.5	0	0	111.4	L641 K645 V674 Q675 Q680 L681 M682	L641-E678 HydrophobicContact CD1-CG 3.44Å; L641-E678 VanDerWaalsContact CD1-CG 3.44Å; L641-E678 HydrophobicContact CD2-CG 3.83Å; L641-E678 HydrophobicContact CG-CG 4.3Å; K645-E678 WeakPolarHBondContact CE-OE1 3.48Å; K645-E678 IonicContact NZ-OE1 2.7Å; K645-E678 PolarHBondContact NZ-OE1 3.15Å; V674-E678 HydrophobicContact CG1-CG 4.26Å; V674-E678 WeakPolarHBondContact O-CG 3.16Å; V674-E678 PolarHBondContact O-N 3.04Å; Q675-E678 PolarHBondContact O-N 2.9Å; E678-Q680 VanDerWaalsContact C-N 3.32Å; E678-Q680 PolarHBondContact O-N 3.08Å; E678-L681 PolarHBondContact O-N 2.94Å; E678-M682 VanDerWaalsContact O-CB 3.31Å; E678-M682 WeakPolarHBondContact O-CB 3.37Å; E678-M682 PolarHBondContact O-N 3.26Å
679	E	90.1	Very high	92.9	Very high	123 Å²	123	68.4 Å²	68.4	58%	0.575	32%	0.323	S	S	*	.	H	α-helix	trans	-58.1	-40	172.3	-71.9	166	-167	0	0	113	Q675 K683	Q675-E679 WeakPolarHBondContact O-CG 3.29Å; Q675-E679 PolarHBondContact O-N 2.94Å; E679-K683 VanDerWaalsContact O-CB 3.24Å; E679-K683 WeakPolarHBondContact O-CB 3.25Å; E679-K683 PolarHBondContact O-N 3.19Å
680	Q	92.9	Very high	92.8	Very high	89 Å²	89	66.2 Å²	66.2	42%	0.416	31%	0.308	S	S	.	.	H	α-helix	trans	-71	-40.8	178.1	-78.2	171.6	33.9	0	0	112.3	R676 I677 E678 L684	R676-Q680 WeakPolarHBondContact O-CG 3.46Å; R676-Q680 PolarHBondContact O-N 2.93Å; R676-Q680 PolarHBondContact O-NE2 2.95Å; I677-Q680 PolarHBondContact O-N 2.86Å; E678-Q680 VanDerWaalsContact C-N 3.32Å; E678-Q680 PolarHBondContact O-N 3.08Å; Q680-L684 WeakPolarHBondContact O-CG 3.45Å; Q680-L684 PolarHBondContact O-N 2.75Å
681	L	93.8	Very high	92.7	Very high	13 Å²	13	68.2 Å²	68.2	7%	0.068	31%	0.313	C	S	.	.	H	α-helix	trans	-66.2	-53.5	178.7	175.5	59.8	0	0	0	110.4	I634 K637 K638 L641 I677 E678 K683 L684 E685	I634-L681 HydrophobicContact CG2-CD1 3.91Å; K637-L681 HydrophobicContact CB-CB 4.49Å; K637-L681 HydrophobicContact CB-CD1 3.97Å; K638-L681 HydrophobicContact CG-CD1 3.86Å; K638-L681 HydrophobicContact CG-CD2 3.75Å; K638-L681 HydrophobicContact CG-CG 4.48Å; L641-L681 HydrophobicContact CD2-CD2 3.62Å; I677-L681 WeakPolarHBondContact O-CB 3.44Å; I677-L681 PolarHBondContact O-N 3.28Å; E678-L681 PolarHBondContact O-N 2.94Å; L681-K683 PolarHBondContact O-N 3.05Å; L681-L684 WeakPolarHBondContact O-CA 3.31Å; L681-L684 WeakPolarHBondContact O-CB 3.34Å; L681-L684 PolarHBondContact O-N 3.28Å; L681-E685 HydrophobicContact CD1-CG 4.08Å; L681-E685 HydrophobicContact CG-CG 4.47Å; L681-E685 PolarHBondContact O-N 2.82Å
682	M	91.2	Very high	92.6	Very high	71 Å²	71	64.8 Å²	64.8	35%	0.35	30%	0.304	S	S	.	.	H	α-helix	trans	-54.3	-40.5	177.4	-175.9	-174.1	-178.7	0	0	111.5	N594 A597 E678 L684 E685 V686	N594-M682 PolarHBondContact ND2-SD 2.95Å; A597-M682 HydrophobicContact CB-CE 4.02Å; E678-M682 VanDerWaalsContact O-CB 3.31Å; E678-M682 WeakPolarHBondContact O-CB 3.37Å; E678-M682 PolarHBondContact O-N 3.26Å; M682-L684 VanDerWaalsContact C-N 3.35Å; M682-L684 PolarHBondContact O-N 2.9Å; M682-E685 PolarHBondContact O-N 2.82Å; M682-V686 HydrophobicContact CG-CG2 4.45Å; M682-V686 VanDerWaalsContact O-CB 3.29Å; M682-V686 WeakPolarHBondContact O-CB 3.08Å; M682-V686 VanDerWaalsContact O-CG2 3.25Å; M682-V686 WeakPolarHBondContact O-CG2 3.35Å; M682-V686 PolarHBondContact O-N 3.38Å
683	K	91.6	Very high	92.5	Very high	108 Å²	108	61.3 Å²	61.3	47%	0.47	29%	0.289	S	S	.	.	H	α-helix	trans	-65.1	-33	175.9	-179.8	178.8	177.1	-178.6	0	113.6	E679 L681 Q687	E679-K683 VanDerWaalsContact O-CB 3.24Å; E679-K683 WeakPolarHBondContact O-CB 3.25Å; E679-K683 PolarHBondContact O-N 3.19Å; L681-K683 PolarHBondContact O-N 3.05Å; K683-Q687 WeakPolarHBondContact O-CB 3.18Å; K683-Q687 VanDerWaalsContact O-CG 3.23Å; K683-Q687 WeakPolarHBondContact O-CG 3.34Å; K683-Q687 PolarHBondContact O-N 2.9Å
684	L	94.1	Very high	92.4	Very high	34 Å²	34	60.8 Å²	60.8	18%	0.178	28%	0.284	C	S	.	.	H	α-helix	trans	-76.3	-40.9	175.3	-71	168.6	0	0	0	111.5	L630 I634 K637 Q680 L681 M682 Q687 A688	L630-L684 HydrophobicContact CD1-CD2 3.9Å; I634-L684 HydrophobicContact CD1-CB 4.45Å; I634-L684 HydrophobicContact CG1-CB 3.7Å; K637-L684 HydrophobicContact CB-CD1 4.46Å; K637-L684 HydrophobicContact CG-CD1 3.87Å; Q680-L684 WeakPolarHBondContact O-CG 3.45Å; Q680-L684 PolarHBondContact O-N 2.75Å; L681-L684 WeakPolarHBondContact O-CA 3.31Å; L681-L684 WeakPolarHBondContact O-CB 3.34Å; L681-L684 PolarHBondContact O-N 3.28Å; M682-L684 VanDerWaalsContact C-N 3.35Å; M682-L684 PolarHBondContact O-N 2.9Å; L684-Q687 CarbonylContact O-C 3.57Å; L684-Q687 WeakPolarHBondContact O-CB 3.24Å; L684-Q687 PolarHBondContact O-N 2.93Å; L684-Q687 VanDerWaalsContact O-N 3.15Å; L684-A688 PolarHBondContact O-N 3.39Å
685	E	93.3	Very high	92.3	Very high	64 Å²	64	63.2 Å²	63.2	30%	0.299	29%	0.294	S	S	.	.	H	α-helix	trans	-63.8	-46.9	177	-68.1	-179.8	131.6	0	0	111	I634 K638 L681 M682 Q687 A688 T689	I634-E685 HydrophobicContact CD1-CG 4.13Å; I634-E685 HydrophobicContact CG1-CG 4.16Å; I634-E685 HydrophobicContact CG2-CG 3.77Å; K638-E685 WeakPolarHBondContact CE-OE1 3.47Å; K638-E685 IonicContact NZ-OE1 2.99Å; K638-E685 PolarHBondContact NZ-OE1 2.71Å; L681-E685 HydrophobicContact CD1-CG 4.08Å; L681-E685 HydrophobicContact CG-CG 4.47Å; L681-E685 PolarHBondContact O-N 2.82Å; M682-E685 PolarHBondContact O-N 2.82Å; E685-Q687 PolarHBondContact O-N 3.39Å; E685-A688 WeakPolarHBondContact O-CB 3.31Å; E685-A688 PolarHBondContact O-N 3.19Å; E685-T689 PolarHBondContact O-N 3.18Å; E685-T689 PolarHBondContact O-OG1 3.42Å
686	V	92.1	Very high	92.3	Very high	23 Å²	23	64.6 Å²	64.6	14%	0.139	30%	0.3	C	S	.	.	H	α-helix	trans	-54.4	-39.9	170.2	163.5	0	0	0	0	112	L600 M682 D690	L600-V686 HydrophobicContact CB-CG1 3.97Å; L600-V686 HydrophobicContact CD2-CG1 4.32Å; L600-V686 HydrophobicContact CD2-CG2 4.33Å; M682-V686 HydrophobicContact CG-CG2 4.45Å; M682-V686 VanDerWaalsContact O-CB 3.29Å; M682-V686 WeakPolarHBondContact O-CB 3.08Å; M682-V686 VanDerWaalsContact O-CG2 3.25Å; M682-V686 WeakPolarHBondContact O-CG2 3.35Å; M682-V686 PolarHBondContact O-N 3.38Å; V686-D690 VanDerWaalsContact O-CB 3.3Å; V686-D690 WeakPolarHBondContact O-CB 3.42Å; V686-D690 PolarHBondContact O-N 3.31Å
687	Q	91.1	Very high	92.3	Very high	85 Å²	85	59 Å²	59	40%	0.397	28%	0.281	S	S	.	.	H	α-helix	trans	-71.5	-26.2	176.5	-78.2	178.9	8.8	0	0	113.7	K683 L684 E685 R691	K683-Q687 WeakPolarHBondContact O-CB 3.18Å; K683-Q687 VanDerWaalsContact O-CG 3.23Å; K683-Q687 WeakPolarHBondContact O-CG 3.34Å; K683-Q687 PolarHBondContact O-N 2.9Å; L684-Q687 CarbonylContact O-C 3.57Å; L684-Q687 WeakPolarHBondContact O-CB 3.24Å; L684-Q687 PolarHBondContact O-N 2.93Å; L684-Q687 VanDerWaalsContact O-N 3.15Å; E685-Q687 PolarHBondContact O-N 3.39Å; Q687-R691 WeakPolarHBondContact O-CB 3.47Å; Q687-R691 VanDerWaalsContact O-CD 3.23Å; Q687-R691 WeakPolarHBondContact O-CD 3.25Å; Q687-R691 WeakPolarHBondContact O-CG 3.42Å; Q687-R691 PolarHBondContact O-N 3.2Å
688	A	93.7	Very high	92.2	Very high	12 Å²	12	58.8 Å²	58.8	10%	0.099	28%	0.282	C	S	.	.	H	α-helix	trans	-74.5	-47.3	172.3	0	0	0	0	0	110.6	M627 L630 I634 L684 E685 D690 R691 E692	M627-A688 HydrophobicContact CE-CB 4.08Å; L630-A688 HydrophobicContact CD2-CB 3.82Å; L630-A688 HydrophobicContact CG-CB 4.28Å; I634-A688 HydrophobicContact CD1-CB 3.77Å; L684-A688 PolarHBondContact O-N 3.39Å; E685-A688 WeakPolarHBondContact O-CB 3.31Å; E685-A688 PolarHBondContact O-N 3.19Å; A688-D690 PolarHBondContact O-N 2.89Å; A688-R691 PolarHBondContact O-N 2.92Å; A688-R691 VanDerWaalsContact O-N 3.14Å; A688-E692 PolarHBondContact O-N 2.89Å
689	T	93.6	Very high	92.3	Very high	52 Å²	52	56.7 Å²	56.7	32%	0.319	27%	0.273	S	S	.	.	H	α-helix	trans	-56.2	-50	174.8	-55.2	0	0	0	0	111.8	L600 E685 R691 E692 E693	L600-T689 HydrophobicContact CD1-CG2 4.3Å; L600-T689 HydrophobicContact CD2-CG2 4.26Å; E685-T689 PolarHBondContact O-N 3.18Å; E685-T689 PolarHBondContact O-OG1 3.42Å; T689-R691 PolarHBondContact O-N 2.83Å; T689-E692 PolarHBondContact O-N 2.95Å; T689-E693 HydrophobicContact CG2-CG 4.3Å; T689-E693 VanDerWaalsContact CG2-OE1 3.24Å; T689-E693 WeakPolarHBondContact CG2-OE1 3.47Å; T689-E693 WeakPolarHBondContact O-CB 3.45Å; T689-E693 WeakPolarHBondContact O-CG 3.4Å; T689-E693 PolarHBondContact O-N 3.28Å
690	D	91.1	Very high	92.4	Very high	43 Å²	43	52.6 Å²	52.6	23%	0.23	26%	0.264	C	S	.	.	H	α-helix	trans	-59.8	-30.6	178.2	-175.8	53.1	0	0	0	113.2	L600 N603 V686 A688 N694	L600-D690 HydrophobicContact CD1-CB 3.92Å; N603-D690 WeakPolarHBondContact CB-OD1 3.35Å; N603-D690 VanDerWaalsContact ND2-CG 3.29Å; N603-D690 PolarHBondContact ND2-OD1 3.31Å; N603-D690 PolarHBondContact ND2-OD2 3.07Å; V686-D690 VanDerWaalsContact O-CB 3.3Å; V686-D690 WeakPolarHBondContact O-CB 3.42Å; V686-D690 PolarHBondContact O-N 3.31Å; A688-D690 PolarHBondContact O-N 2.89Å; D690-N694 WeakPolarHBondContact O-CB 3.41Å; D690-N694 PolarHBondContact O-N 3.19Å; D690-N694 PolarHBondContact O-ND2 3.49Å; D690-N694 PolarHBondContact OD1-ND2 3.19Å; D690-N694 VanDerWaalsContact OD1-ND2 3.16Å
691	R	91.3	Very high	92.3	Very high	106 Å²	106	51.2 Å²	51.2	40%	0.4	26%	0.262	S	S	.	.	H	α-helix	trans	-77.9	-45.2	177.5	-78	169.9	168.3	-130.2	-7.9	113	S626 M627 Q687 A688 T689 N694 K695	S626-R691 PolarHBondContact OG-NH1 3.04Å; M627-R691 HydrophobicContact CE-CB 4.33Å; M627-R691 HydrophobicContact SD-CB 3.6Å; M627-R691 HydrophobicContact SD-CG 4.42Å; Q687-R691 WeakPolarHBondContact O-CB 3.47Å; Q687-R691 VanDerWaalsContact O-CD 3.23Å; Q687-R691 WeakPolarHBondContact O-CD 3.25Å; Q687-R691 WeakPolarHBondContact O-CG 3.42Å; Q687-R691 PolarHBondContact O-N 3.2Å; A688-R691 PolarHBondContact O-N 2.92Å; A688-R691 VanDerWaalsContact O-N 3.14Å; T689-R691 PolarHBondContact O-N 2.83Å; R691-N694 CarbonylContact O-C 3.58Å; R691-N694 PolarHBondContact O-N 2.69Å; R691-K695 PolarHBondContact O-N 2.85Å; R691-K695 VanDerWaalsContact O-N 3.09Å
692	E	92.3	Very high	92.2	Very high	80 Å²	80	50.6 Å²	50.6	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-69	-46	-179.7	-160.1	64.1	-140.6	0	0	110.9	F623 M627 A688 T689 N694 K695	F623-E692 WeakPolarHBondContact CE1-OE2 3.1Å; F623-E692 WeakPolarHBondContact CZ-OE2 3.49Å; M627-E692 HydrophobicContact CE-CB 4.25Å; A688-E692 PolarHBondContact O-N 2.89Å; T689-E692 PolarHBondContact O-N 2.95Å; E692-N694 PolarHBondContact O-N 2.62Å; E692-K695 VanDerWaalsContact O-CB 3.25Å; E692-K695 WeakPolarHBondContact O-CB 3.31Å; E692-K695 PolarHBondContact O-N 2.79Å; E692-K695 VanDerWaalsContact O-N 3.11Å; E692-K695 WeakPolarHBondContact OE1-CD 3.39Å; E692-K695 IonicContact OE1-NZ 2.71Å; E692-K695 PolarHBondContact OE1-NZ 3.06Å
693	E	92.3	Very high	92.4	Very high	37 Å²	37	48.2 Å²	48.2	17%	0.173	25%	0.247	C	C	.	.	H	α-helix	trans	-55.8	-37.6	175.8	-77.8	-163.7	-135.8	0	0	112.5	R604 R607 T689	R604-E693 WeakPolarHBondContact CG-OE2 3.3Å; R604-E693 IonicContact CZ-OE1 3.69Å; R604-E693 IonicContact NE-OE1 2.62Å; R604-E693 PolarHBondContact NE-OE1 3.05Å; R604-E693 IonicContact NE-OE2 2.77Å; R604-E693 IonicContact NH2-OE1 2.69Å; R604-E693 PolarHBondContact NH2-OE1 3.04Å; R607-E693 IonicContact CZ-OE2 3.19Å; R607-E693 PolarHBondContact NE-O 3.22Å; R607-E693 IonicContact NE-OE2 3.92Å; R607-E693 IonicContact NH1-OE2 2.71Å; R607-E693 PolarHBondContact NH1-OE2 3.19Å; R607-E693 PolarHBondContact NH2-O 2.77Å; R607-E693 VanDerWaalsContact NH2-O 3.08Å; T689-E693 HydrophobicContact CG2-CG 4.3Å; T689-E693 VanDerWaalsContact CG2-OE1 3.24Å; T689-E693 WeakPolarHBondContact CG2-OE1 3.47Å; T689-E693 WeakPolarHBondContact O-CB 3.45Å; T689-E693 WeakPolarHBondContact O-CG 3.4Å; T689-E693 PolarHBondContact O-N 3.28Å
694	N	90.8	Very high	92.4	Very high	8 Å²	8	46 Å²	46	4%	0.043	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	10.7	-178.4	-65.7	-65.2	0	0	0	114.5	R617 D690 R691 E692 Q696 I697 L699	R617-N694 PolarHBondContact NE-O 3.4Å; R617-N694 PolarHBondContact NH2-O 2.85Å; D690-N694 WeakPolarHBondContact O-CB 3.41Å; D690-N694 PolarHBondContact O-N 3.19Å; D690-N694 PolarHBondContact O-ND2 3.49Å; D690-N694 PolarHBondContact OD1-ND2 3.19Å; D690-N694 VanDerWaalsContact OD1-ND2 3.16Å; R691-N694 CarbonylContact O-C 3.58Å; R691-N694 PolarHBondContact O-N 2.69Å; E692-N694 PolarHBondContact O-N 2.62Å; N694-Q696 VanDerWaalsContact C-N 3.31Å; N694-Q696 PolarHBondContact O-N 3.29Å; N694-I697 PolarHBondContact O-N 3.22Å; N694-I697 VanDerWaalsContact O-N 3.07Å; N694-L699 WeakPolarHBondContact OD1-CD1 3.19Å; N694-L699 WeakPolarHBondContact OD1-CG 3.34Å
695	K	91.8	Very high	92.3	Very high	59 Å²	59	47.9 Å²	47.9	26%	0.257	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.3	-53.8	-179.2	-175.3	-177.6	-157.3	157.4	0	112.8	R617 P619 F623 R691 E692	R617-K695 PolarHBondContact NE-O 3.46Å; R617-K695 VanDerWaalsContact NE-O 3.14Å; P619-K695 HydrophobicContact CB-CG 4.4Å; F623-K695 HydrophobicContact CD1-CD 4.26Å; F623-K695 HydrophobicContact CD1-CG 4.09Å; F623-K695 HydrophobicContact CD2-CG 4.31Å; F623-K695 HydrophobicContact CE1-CB 4.45Å; F623-K695 HydrophobicContact CE1-CD 3.82Å; F623-K695 HydrophobicContact CE1-CG 3.83Å; F623-K695 HydrophobicContact CE2-CB 4.14Å; F623-K695 HydrophobicContact CE2-CG 4.05Å; F623-K695 HydrophobicContact CG-CG 4.34Å; F623-K695 HydrophobicContact CZ-CB 3.97Å; F623-K695 HydrophobicContact CZ-CD 4.17Å; F623-K695 HydrophobicContact CZ-CG 3.82Å; R691-K695 PolarHBondContact O-N 2.85Å; R691-K695 VanDerWaalsContact O-N 3.09Å; E692-K695 VanDerWaalsContact O-CB 3.25Å; E692-K695 WeakPolarHBondContact O-CB 3.31Å; E692-K695 PolarHBondContact O-N 2.79Å; E692-K695 VanDerWaalsContact O-N 3.11Å; E692-K695 WeakPolarHBondContact OE1-CD 3.39Å; E692-K695 IonicContact OE1-NZ 2.71Å; E692-K695 PolarHBondContact OE1-NZ 3.06Å
696	Q	91.9	Very high	92.4	Very high	110 Å²	110	47.1 Å²	47.1	51%	0.514	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	8	-179.4	-72.1	163.1	-47.8	0	0	114.6	Q616 R617 P619 N694	Q616-Q696 CarbonylContact C-O 3.59Å; Q616-Q696 WeakPolarHBondContact CA-O 3.49Å; R617-Q696 PolarHBondContact N-O 3.33Å; R617-Q696 WeakPolarHBondContact O-CA 3.44Å; P619-Q696 HydrophobicContact CG-CG 3.81Å; N694-Q696 VanDerWaalsContact C-N 3.31Å; N694-Q696 PolarHBondContact O-N 3.29Å
697	I	92.6	Very high	92.7	Very high	24 Å²	24	46 Å²	46	12%	0.123	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-110.9	135	-172	-52.9	-60.2	0	0	0	112.2	R607 A610 I611 R617 N694 L699	R607-I697 HydrophobicContact CG-CG1 4.43Å; R607-I697 HydrophobicContact CG-CG2 4.37Å; A610-I697 HydrophobicContact CB-CG2 3.44Å; A610-I697 VanDerWaalsContact CB-CG2 3.44Å; I611-I697 HydrophobicContact CG1-CD1 4.06Å; R617-I697 PolarHBondContact NE-O 3.3Å; N694-I697 PolarHBondContact O-N 3.22Å; N694-I697 VanDerWaalsContact O-N 3.07Å; I697-L699 HydrophobicContact CG2-CD2 3.93Å
698	A	92.9	Very high	93.1	Very high	20 Å²	20	42 Å²	42	17%	0.165	22%	0.219	C	C	.	.			trans	-103	67.6	-175.1	0	0	0	0	0	113.1	H615 R617 G700 T701	H615-A698 HydrophobicContact CB-CB 4.4Å; H615-A698 WeakPolarHBondContact O-CB 3.38Å; H615-A698 PolarHBondContact O-N 3.47Å; R617-A698 HydrophobicContact CB-CB 4.43Å; A698-G700 PolarHBondContact O-N 3.17Å; A698-T701 PolarHBondContact O-N 3.02Å
699	L	93.1	Very high	93.3	Very high	29 Å²	29	41.4 Å²	41.4	15%	0.152	21%	0.214	C	C	.	.	H	α-helix	trans	-52.8	-21	-177.5	-68.2	-168.4	0	0	0	116.7	N603 N606 R607 A610 N694 I697 S702 K703	N603-L699 HydrophobicContact CB-CD1 4.32Å; N606-L699 HydrophobicContact CB-CD2 4.27Å; N606-L699 PolarHBondContact ND2-O 2.91Å; R607-L699 HydrophobicContact CB-CD2 4.08Å; A610-L699 HydrophobicContact CB-CD2 4.03Å; N694-L699 WeakPolarHBondContact OD1-CD1 3.19Å; N694-L699 WeakPolarHBondContact OD1-CG 3.34Å; I697-L699 HydrophobicContact CG2-CD2 3.93Å; L699-S702 PolarHBondContact O-OG 2.96Å; L699-S702 VanDerWaalsContact O-OG 3.13Å; L699-K703 VanDerWaalsContact O-CB 3.26Å; L699-K703 WeakPolarHBondContact O-CB 3.41Å
700	G	93.1	Very high	93.5	Very high	37 Å²	37	39.3 Å²	39.3	38%	0.381	20%	0.2	S	C	.	.	H	α-helix	trans	-71.4	-33.8	-179.1	0	0	0	0	0	113.5	A698 K703 L704	A698-G700 PolarHBondContact O-N 3.17Å; G700-K703 PolarHBondContact O-N 3.35Å; G700-L704 WeakPolarHBondContact O-CB 3.33Å; G700-L704 WeakPolarHBondContact O-CG 3.42Å; G700-L704 PolarHBondContact O-N 3.47Å
701	T	91.6	Very high	93.9	Very high	60 Å²	60	37.6 Å²	37.6	37%	0.368	19%	0.191	S	C	.	.	H	α-helix	trans	-70	-42.2	-171.9	-57.2	0	0	0	0	112.2	A698 N705 Y706	A698-T701 PolarHBondContact O-N 3.02Å; T701-N705 PolarHBondContact O-ND2 2.88Å; T701-Y706 HydrophobicContact CG2-CE2 4.2Å; T701-Y706 WeakPolarHBondContact O-CD2 3.27Å
702	S	91.6	Very high	94.2	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-62.5	-56.6	170.9	43.1	0	0	0	0	110.8	N606 L699 L704 N705 Y706 L707	N606-S702 WeakPolarHBondContact OD1-CB 3.3Å; N606-S702 PolarHBondContact OD1-OG 3.04Å; L699-S702 PolarHBondContact O-OG 2.96Å; L699-S702 VanDerWaalsContact O-OG 3.13Å; S702-L704 PolarHBondContact O-N 2.96Å; S702-L704 VanDerWaalsContact O-N 3.15Å; S702-N705 PolarHBondContact O-N 2.71Å; S702-N705 VanDerWaalsContact O-N 3.12Å; S702-Y706 PolarHBondContact O-N 2.86Å; S702-L707 PolarHBondContact O-N 3.43Å
703	K	93.6	Very high	94.5	Very high	22 Å²	22	28.8 Å²	28.8	10%	0.096	16%	0.155	C	C	.	.	H	α-helix	trans	-59.2	-25.2	-173.7	-173	165.4	-179.8	170.8	0	115.4	Y602 L699 G700 L707 I726 Y727	Y602-K703 HydrophobicContact CE1-CD 4.32Å; L699-K703 VanDerWaalsContact O-CB 3.26Å; L699-K703 WeakPolarHBondContact O-CB 3.41Å; G700-K703 PolarHBondContact O-N 3.35Å; K703-L707 HydrophobicContact CB-CD1 4.26Å; K703-I726 WeakPolarHBondContact CE-O 3.48Å; K703-I726 PolarHBondContact NZ-O 3.47Å; K703-Y727 HydrophobicContact CD-CE1 4.5Å; K703-Y727 HydrophobicContact CG-CE1 3.93Å
704	L	92.6	Very high	94.8	Very high	60 Å²	60	27.3 Å²	27.3	31%	0.314	15%	0.149	S	C	.	.	H	α-helix	trans	-91.5	-25.5	177.3	-77.8	171.1	0	0	0	114.6	G700 S702 Q731 K734	G700-L704 WeakPolarHBondContact O-CB 3.33Å; G700-L704 WeakPolarHBondContact O-CG 3.42Å; G700-L704 PolarHBondContact O-N 3.47Å; S702-L704 PolarHBondContact O-N 2.96Å; S702-L704 VanDerWaalsContact O-N 3.15Å; L704-Q731 HydrophobicContact CD2-CG 3.75Å; L704-K734 PolarHBondContact O-NZ 2.94Å
705	N	92.4	Very high	95.2	Very high	75 Å²	75	27.6 Å²	27.6	40%	0.401	15%	0.149	S	C	.	.	H	α-helix	trans	-135.1	-26.6	-160.6	-53.9	-71.4	0	0	0	115.9	K426 T701 S702	K426-N705 PolarHBondContact NZ-O 3.42Å; T701-N705 PolarHBondContact O-ND2 2.88Å; S702-N705 PolarHBondContact O-N 2.71Å; S702-N705 VanDerWaalsContact O-N 3.12Å
706	Y	95.9	Very high	95.5	Very high	48 Å²	48	25 Å²	25	19%	0.188	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.6	-22.6	-171.4	-61.3	-91.9	0	0	0	113.5	R573 S578 H615 T701 S702	R573-Y706 HydrophobicContact CB-CD1 4.17Å; R573-Y706 HydrophobicContact CB-CE1 4.18Å; S578-Y706 PolarHBondContact OG-O 3.21Å; H615-Y706 AromaticContact CE1-CD2 3.76Å; H615-Y706 AromaticContact CE1-CE2 3.66Å; H615-Y706 AromaticContact NE2-CE2 3.8Å; T701-Y706 HydrophobicContact CG2-CE2 4.2Å; T701-Y706 WeakPolarHBondContact O-CD2 3.27Å; S702-Y706 PolarHBondContact O-N 2.86Å
707	L	97.9	Very high	95.8	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.	S	Bend	trans	-89	127.8	175.9	-62.7	-178.7	0	0	0	110.8	Y427 A577 L581 N606 V609 S702 K703 P709	Y427-L707 VanDerWaalsContact CE1-O 3.3Å; Y427-L707 WeakPolarHBondContact CE1-O 3.44Å; Y427-L707 PolarHBondContact OH-O 2.78Å; A577-L707 HydrophobicContact CB-CD2 4.23Å; A577-L707 WeakPolarHBondContact O-CD2 3.5Å; L581-L707 HydrophobicContact CB-CD2 3.63Å; L581-L707 HydrophobicContact CD1-CD1 4.23Å; L581-L707 HydrophobicContact CD2-CB 4.16Å; L581-L707 HydrophobicContact CD2-CD1 3.78Å; L581-L707 HydrophobicContact CD2-CD2 3.83Å; L581-L707 HydrophobicContact CD2-CG 4.12Å; L581-L707 HydrophobicContact CG-CD1 4.45Å; L581-L707 HydrophobicContact CG-CD2 4.2Å; N606-L707 VanDerWaalsContact OD1-CD1 3.32Å; N606-L707 WeakPolarHBondContact OD1-CD1 2.89Å; V609-L707 HydrophobicContact CB-CD2 4.44Å; V609-L707 HydrophobicContact CG1-CD2 3.86Å; V609-L707 HydrophobicContact CG2-CD2 4.25Å; S702-L707 PolarHBondContact O-N 3.43Å; K703-L707 HydrophobicContact CB-CD1 4.26Å; L707-P709 WeakPolarHBondContact O-CD 3.35Å
708	D	98.5	Very high	96.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.147	C	C	.	.			trans	-62.8	118.2	169.5	-172.1	-29.6	0	0	0	109.4	Y427 S578 R710 I711 Y746 F748	Y427-D708 HydrophobicContact CD1-CB 3.64Å; Y427-D708 HydrophobicContact CE1-CB 4.05Å; Y427-D708 HydrophobicContact CG-CB 3.93Å; S578-D708 PolarHBondContact OG-N 2.93Å; D708-R710 PolarHBondContact O-N 3.3Å; D708-R710 VanDerWaalsContact O-N 3.16Å; D708-R710 WeakPolarHBondContact OD1-CB 3.49Å; D708-R710 WeakPolarHBondContact OD1-CG 3.31Å; D708-R710 IonicContact OD1-CZ 2.7Å; D708-R710 PolarHBondContact OD1-N 3.44Å; D708-R710 IonicContact OD1-NE 3.25Å; D708-R710 PolarHBondContact OD1-NE 3.28Å; D708-R710 IonicContact OD1-NH2 3.92Å; D708-R710 IonicContact OD2-CZ 3.64Å; D708-R710 IonicContact OD2-NE 2.75Å; D708-R710 PolarHBondContact OD2-NE 3.31Å; D708-R710 IonicContact OD2-NH2 2.78Å; D708-R710 PolarHBondContact OD2-NH2 3.08Å; D708-I711 HydrophobicContact CB-CD1 3.9Å; D708-I711 HydrophobicContact CB-CG1 4.15Å; D708-I711 PolarHBondContact O-N 2.67Å; D708-Y746 PolarHBondContact OD2-OH 3.39Å; D708-F748 HydrophobicContact CB-CD2 3.76Å; D708-F748 HydrophobicContact CB-CE2 4.14Å; D708-F748 WeakPolarHBondContact OD2-CD2 3.29Å
709	P	98.4	Very high	96.3	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-23.7	-176.5	26.9	-37.4	0	0	0	113.3	Y427 L707 I711 S712 V713 Y727 F735 W737 A738	Y427-P709 VanDerWaalsContact CE2-CD 3.47Å; Y427-P709 HydrophobicContact CE2-CG 4.44Å; L707-P709 WeakPolarHBondContact O-CD 3.35Å; P709-I711 VanDerWaalsContact C-N 3.31Å; P709-I711 PolarHBondContact O-N 2.86Å; P709-S712 WeakPolarHBondContact O-CB 3.3Å; P709-S712 PolarHBondContact O-N 3.03Å; P709-S712 VanDerWaalsContact O-N 3.12Å; P709-V713 WeakPolarHBondContact O-CG2 3.45Å; P709-V713 PolarHBondContact O-N 2.92Å; P709-Y727 WeakPolarHBondContact CA-OH 3.31Å; P709-F735 HydrophobicContact CB-CB 3.97Å; P709-F735 HydrophobicContact CB-CD1 3.62Å; P709-F735 HydrophobicContact CB-CD2 3.98Å; P709-F735 HydrophobicContact CB-CE1 3.98Å; P709-F735 HydrophobicContact CB-CE2 4.32Å; P709-F735 HydrophobicContact CB-CG 3.61Å; P709-F735 HydrophobicContact CB-CZ 4.31Å; P709-F735 HydrophobicContact CG-CB 4.42Å; P709-F735 HydrophobicContact CG-CD1 3.55Å; P709-F735 HydrophobicContact CG-CE1 3.87Å; P709-F735 HydrophobicContact CG-CG 4.05Å; P709-W737 HydrophobicContact CG-CH2 3.76Å; P709-W737 HydrophobicContact CG-CZ2 3.55Å; P709-A738 HydrophobicContact CB-CB 3.82Å; P709-A738 HydrophobicContact CG-CB 3.53Å
710	R	98.7	Very high	96.5	Very high	7 Å²	7	32 Å²	32	3%	0.026	18%	0.175	C	C	.	.	H	α-helix	trans	-66.7	-31.8	-179.4	-64.1	174.4	-72.5	-176.3	1	112.5	E428 D708 S712 V713 A714 W737 A738 A742 Y746	E428-R710 IonicContact OE1-CZ 2.66Å; E428-R710 IonicContact OE1-NH1 2.7Å; E428-R710 PolarHBondContact OE1-NH1 2.86Å; E428-R710 IonicContact OE1-NH2 3.79Å; E428-R710 PolarHBondContact OE1-NH2 2.95Å; D708-R710 PolarHBondContact O-N 3.3Å; D708-R710 VanDerWaalsContact O-N 3.16Å; D708-R710 WeakPolarHBondContact OD1-CB 3.49Å; D708-R710 WeakPolarHBondContact OD1-CG 3.31Å; D708-R710 IonicContact OD1-CZ 2.7Å; D708-R710 PolarHBondContact OD1-N 3.44Å; D708-R710 IonicContact OD1-NE 3.25Å; D708-R710 PolarHBondContact OD1-NE 3.28Å; D708-R710 IonicContact OD1-NH2 3.92Å; D708-R710 IonicContact OD2-CZ 3.64Å; D708-R710 IonicContact OD2-NE 2.75Å; D708-R710 PolarHBondContact OD2-NE 3.31Å; D708-R710 IonicContact OD2-NH2 2.78Å; D708-R710 PolarHBondContact OD2-NH2 3.08Å; R710-S712 VanDerWaalsContact C-N 3.29Å; R710-S712 PolarHBondContact O-N 3.03Å; R710-V713 PolarHBondContact O-N 2.97Å; R710-A714 WeakPolarHBondContact O-CB 3.36Å; R710-A714 PolarHBondContact O-N 2.99Å; R710-W737 HydrophobicContact CG-CZ3 4.14Å; R710-A738 HydrophobicContact CG-CB 3.59Å; R710-A742 HydrophobicContact CB-CB 3.81Å; R710-A742 HydrophobicContact CG-CB 3.79Å; R710-Y746 HydrophobicContact CB-CD1 3.59Å; R710-Y746 HydrophobicContact CB-CD2 4.29Å; R710-Y746 HydrophobicContact CB-CE1 3.4Å; R710-Y746 VanDerWaalsContact CB-CE1 3.4Å; R710-Y746 HydrophobicContact CB-CE2 4.12Å; R710-Y746 HydrophobicContact CB-CG 4.05Å; R710-Y746 PolarHBondContact NE-OH 2.97Å; R710-Y746 PolarHBondContact NH2-OH 2.99Å
711	I	98.7	Very high	96.7	Very high	7 Å²	7	30.4 Å²	30.4	4%	0.036	16%	0.158	C	C	.	.	H	α-helix	trans	-57.8	-45.7	171.4	-57.8	167.5	0	0	0	110	S578 L581 Q582 L585 D708 P709 W715 Y746 F748	S578-I711 WeakPolarHBondContact O-CD1 3Å; L581-I711 HydrophobicContact CD2-CB 4.34Å; L581-I711 HydrophobicContact CD2-CG2 3.99Å; L581-I711 HydrophobicContact CG-CG2 4.34Å; Q582-I711 HydrophobicContact CB-CD1 4.33Å; Q582-I711 HydrophobicContact CB-CG2 3.95Å; Q582-I711 HydrophobicContact CG-CG2 4.13Å; L585-I711 HydrophobicContact CD1-CG2 4.01Å; D708-I711 HydrophobicContact CB-CD1 3.9Å; D708-I711 HydrophobicContact CB-CG1 4.15Å; D708-I711 PolarHBondContact O-N 2.67Å; P709-I711 VanDerWaalsContact C-N 3.31Å; P709-I711 PolarHBondContact O-N 2.86Å; I711-W715 WeakPolarHBondContact O-CB 3.28Å; I711-W715 PolarHBondContact O-N 2.9Å; I711-W715 VanDerWaalsContact O-N 3.07Å; I711-Y746 HydrophobicContact CG1-CE1 4.11Å; I711-F748 HydrophobicContact CD1-CB 3.77Å; I711-F748 HydrophobicContact CD1-CD2 4.36Å; I711-F748 HydrophobicContact CD1-CG 4.02Å; I711-F748 HydrophobicContact CG1-CB 3.85Å
712	S	98.4	Very high	97	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-70.5	-35	179.6	-49.2	0	0	0	0	112.4	Y602 P709 R710 C716 Y727	Y602-S712 PolarHBondContact OH-OG 3.23Å; Y602-S712 VanDerWaalsContact OH-OG 3.12Å; P709-S712 WeakPolarHBondContact O-CB 3.3Å; P709-S712 PolarHBondContact O-N 3.03Å; P709-S712 VanDerWaalsContact O-N 3.12Å; R710-S712 VanDerWaalsContact C-N 3.29Å; R710-S712 PolarHBondContact O-N 3.03Å; S712-C716 WeakPolarHBondContact O-CB 3.49Å; S712-C716 PolarHBondContact O-N 3.23Å; S712-C716 PolarHBondContact O-SG 3.49Å; S712-Y727 WeakPolarHBondContact CB-OH 3.32Å; S712-Y727 PolarHBondContact OG-OH 3.19Å; S712-Y727 VanDerWaalsContact OG-OH 3.13Å
713	V	98.5	Very high	97.2	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.012	16%	0.163	C	C	.	.	H	α-helix	trans	-67.1	-48.1	175.5	171	0	0	0	0	110.7	P709 R710 W715 C716 K717 I723 I739 A742	P709-V713 WeakPolarHBondContact O-CG2 3.45Å; P709-V713 PolarHBondContact O-N 2.92Å; R710-V713 PolarHBondContact O-N 2.97Å; V713-W715 PolarHBondContact O-N 3.49Å; V713-C716 WeakPolarHBondContact O-CB 3.31Å; V713-C716 PolarHBondContact O-N 3.04Å; V713-C716 VanDerWaalsContact O-N 3.09Å; V713-K717 HydrophobicContact CG1-CD 4.23Å; V713-K717 PolarHBondContact O-N 3.47Å; V713-I723 HydrophobicContact CG2-CD1 4.16Å; V713-I739 HydrophobicContact CG2-CB 4.39Å; V713-I739 HydrophobicContact CG2-CG1 3.75Å; V713-A742 HydrophobicContact CG1-CB 4.3Å
714	A	98.6	Very high	97.4	Very high	6 Å²	6	34 Å²	34	5%	0.05	18%	0.175	C	C	.	.	H	α-helix	trans	-61.4	-46.6	179.5	0	0	0	0	0	111.8	R710 C716 K717 K718 D743	R710-A714 WeakPolarHBondContact O-CB 3.36Å; R710-A714 PolarHBondContact O-N 2.99Å; A714-C716 VanDerWaalsContact C-N 3.29Å; A714-C716 PolarHBondContact O-N 2.61Å; A714-K717 PolarHBondContact O-N 3.48Å; A714-K718 VanDerWaalsContact O-CB 3.29Å; A714-K718 WeakPolarHBondContact O-CB 3.4Å; A714-K718 PolarHBondContact O-N 2.9Å; A714-D743 VanDerWaalsContact CA-O 3.23Å; A714-D743 WeakPolarHBondContact CA-O 3.42Å; A714-D743 VanDerWaalsContact CB-O 3.28Å; A714-D743 WeakPolarHBondContact CB-O 3.46Å
715	W	98.6	Very high	97.5	Very high	13 Å²	13	36.2 Å²	36.2	5%	0.049	18%	0.183	C	C	.	.	H	α-helix	trans	-59.4	-37.2	172.7	179.7	94.3	0	0	0	112.6	L585 T589 K598 Y602 I711 V713 W719 V721 I726	L585-W715 HydrophobicContact CD1-CB 4.15Å; L585-W715 HydrophobicContact CD1-CG 4.04Å; L585-W715 HydrophobicContact CD2-CD2 4.31Å; L585-W715 HydrophobicContact CD2-CG 4.28Å; T589-W715 HydrophobicContact CG2-CZ2 4.16Å; T589-W715 PolarHBondContact OG1-NE1 2.84Å; K598-W715 HydrophobicContact CB-CH2 4.01Å; K598-W715 HydrophobicContact CB-CZ2 3.97Å; K598-W715 WeakPolarHBondContact O-CH2 3.35Å; K598-W715 VanDerWaalsContact O-CZ2 3.28Å; K598-W715 WeakPolarHBondContact O-CZ2 3.41Å; Y602-W715 HydrophobicContact CD2-CD2 4.23Å; Y602-W715 AromaticContact CD2-CE3 3.84Å; Y602-W715 HydrophobicContact CD2-CE3 3.84Å; Y602-W715 HydrophobicContact CD2-CH2 4.28Å; Y602-W715 AromaticContact CD2-CZ3 3.87Å; Y602-W715 HydrophobicContact CD2-CZ3 3.87Å; Y602-W715 HydrophobicContact CG-CH2 4.43Å; Y602-W715 HydrophobicContact CG-CZ3 4.37Å; I711-W715 WeakPolarHBondContact O-CB 3.28Å; I711-W715 PolarHBondContact O-N 2.9Å; I711-W715 VanDerWaalsContact O-N 3.07Å; V713-W715 PolarHBondContact O-N 3.49Å; W715-W719 AromaticContact CD1-CD1 3.46Å; W715-W719 VanDerWaalsContact CD1-CD1 3.46Å; W715-W719 AromaticContact CD1-NE1 3.62Å; W715-W719 AromaticContact CE2-CD1 3.81Å; W715-W719 AromaticContact CG-CD1 3.87Å; W715-W719 AromaticContact NE1-CD1 3.41Å; W715-W719 AromaticContact NE1-NE1 3.65Å; W715-W719 VanDerWaalsContact O-CD1 3.3Å; W715-W719 PolarHBondContact O-N 2.9Å; W715-V721 HydrophobicContact CH2-CB 4.34Å; W715-V721 HydrophobicContact CH2-CG1 4.26Å; W715-V721 HydrophobicContact CH2-CG2 3.9Å; W715-V721 HydrophobicContact CZ3-CB 3.91Å; W715-V721 HydrophobicContact CZ3-CG1 3.84Å; W715-V721 HydrophobicContact CZ3-CG2 3.95Å; W715-I726 HydrophobicContact CZ3-CD1 4.01Å; W715-I726 HydrophobicContact CZ3-CG1 4.09Å
716	C	98.4	Very high	97.7	Very high	6 Å²	6	33 Å²	33	4%	0.041	17%	0.165	C	C	.	.	H	α-helix	trans	-66.6	-43.6	175.1	-74.4	0	0	0	0	112.5	S712 V713 A714 G720 V721 I723 I726	S712-C716 WeakPolarHBondContact O-CB 3.49Å; S712-C716 PolarHBondContact O-N 3.23Å; S712-C716 PolarHBondContact O-SG 3.49Å; V713-C716 WeakPolarHBondContact O-CB 3.31Å; V713-C716 PolarHBondContact O-N 3.04Å; V713-C716 VanDerWaalsContact O-N 3.09Å; A714-C716 VanDerWaalsContact C-N 3.29Å; A714-C716 PolarHBondContact O-N 2.61Å; C716-G720 PolarHBondContact O-N 3.45Å; C716-V721 VanDerWaalsContact CB-O 3.3Å; C716-V721 WeakPolarHBondContact CB-O 3.4Å; C716-V721 PolarHBondContact O-N 3.22Å; C716-I723 HydrophobicContact CB-CD1 4Å; C716-I723 VanDerWaalsContact SG-CD1 3.59Å; C716-I726 VanDerWaalsContact SG-CG1 3.57Å
717	K	98.1	Very high	97.8	Very high	93 Å²	93	30.8 Å²	30.8	40%	0.404	16%	0.157	S	C	.	.	H	α-helix	trans	-63.9	-56.1	177.3	-69.6	-177.8	177.9	-177.7	0	110.3	V713 A714 W719 G720 I739 A742 E744	V713-K717 HydrophobicContact CG1-CD 4.23Å; V713-K717 PolarHBondContact O-N 3.47Å; A714-K717 PolarHBondContact O-N 3.48Å; K717-W719 PolarHBondContact O-N 3.03Å; K717-G720 PolarHBondContact O-N 3.27Å; K717-I739 PolarHBondContact NZ-O 3Å; K717-A742 WeakPolarHBondContact CE-O 3.21Å; K717-A742 PolarHBondContact NZ-O 3.27Å; K717-E744 HydrophobicContact CB-CB 3.71Å
718	K	97.8	Very high	97.7	Very high	95 Å²	95	34.5 Å²	34.5	41%	0.413	18%	0.176	S	C	.	.	H	α-helix	trans	-53.8	-32.6	-177.2	-160.5	172.9	-142	68.1	0	114.8	A714 E744 D745	A714-K718 VanDerWaalsContact O-CB 3.29Å; A714-K718 WeakPolarHBondContact O-CB 3.4Å; A714-K718 PolarHBondContact O-N 2.9Å; K718-E744 WeakPolarHBondContact CA-OE2 3.47Å; K718-E744 HydrophobicContact CB-CB 4.03Å; K718-E744 PolarHBondContact N-OE2 2.99Å; K718-E744 PolarHBondContact NZ-O 3.45Å; K718-D745 IonicContact NZ-OD1 3.59Å; K718-D745 PolarHBondContact NZ-OD1 3.45Å
719	W	97.5	Very high	97.6	Very high	85 Å²	85	40.4 Å²	40.4	32%	0.322	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.3	9.5	-177.6	-62.3	121.6	0	0	0	114.5	T589 A591 K598 W715 K717 V721	T589-W719 HydrophobicContact CG2-CD2 4.22Å; T589-W719 HydrophobicContact CG2-CG 4.23Å; T589-W719 HydrophobicContact CG2-CZ2 4.34Å; A591-W719 HydrophobicContact CB-CH2 4.02Å; A591-W719 HydrophobicContact CB-CZ3 3.76Å; K598-W719 HydrophobicContact CD-CB 3.72Å; K598-W719 HydrophobicContact CD-CG 4.09Å; W715-W719 AromaticContact CD1-CD1 3.46Å; W715-W719 VanDerWaalsContact CD1-CD1 3.46Å; W715-W719 AromaticContact CD1-NE1 3.62Å; W715-W719 AromaticContact CE2-CD1 3.81Å; W715-W719 AromaticContact CG-CD1 3.87Å; W715-W719 AromaticContact NE1-CD1 3.41Å; W715-W719 AromaticContact NE1-NE1 3.65Å; W715-W719 VanDerWaalsContact O-CD1 3.3Å; W715-W719 PolarHBondContact O-N 2.9Å; K717-W719 PolarHBondContact O-N 3.03Å; W719-V721 HydrophobicContact CB-CG2 4.12Å; W719-V721 PolarHBondContact O-N 2.76Å
720	G	96.8	Very high	97.3	Very high	55 Å²	55	44.1 Å²	44.1	57%	0.567	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.8	23.7	-179.4	0	0	0	0	0	114.4	C716 K717 P722	C716-G720 PolarHBondContact O-N 3.45Å; K717-G720 PolarHBondContact O-N 3.27Å; G720-P722 WeakPolarHBondContact O-CD 3.4Å
721	V	97.6	Very high	97.2	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.024	23%	0.23	C	C	.	.			trans	-84.5	118.2	-179.3	177.9	0	0	0	0	109	I595 K598 I599 W715 C716 W719 I723 I726	I595-V721 HydrophobicContact CG2-CG1 4.37Å; K598-V721 HydrophobicContact CB-CG2 4.16Å; K598-V721 HydrophobicContact CD-CG2 4.09Å; I599-V721 HydrophobicContact CG1-CG1 4.36Å; W715-V721 HydrophobicContact CH2-CB 4.34Å; W715-V721 HydrophobicContact CH2-CG1 4.26Å; W715-V721 HydrophobicContact CH2-CG2 3.9Å; W715-V721 HydrophobicContact CZ3-CB 3.91Å; W715-V721 HydrophobicContact CZ3-CG1 3.84Å; W715-V721 HydrophobicContact CZ3-CG2 3.95Å; C716-V721 VanDerWaalsContact CB-O 3.3Å; C716-V721 WeakPolarHBondContact CB-O 3.4Å; C716-V721 PolarHBondContact O-N 3.22Å; W719-V721 HydrophobicContact CB-CG2 4.12Å; W719-V721 PolarHBondContact O-N 2.76Å; V721-I723 PolarHBondContact O-N 2.7Å; V721-I726 HydrophobicContact CG1-CG1 4.42Å
722	P	97.6	Very high	97.1	Very high	45 Å²	45	48.5 Å²	48.5	29%	0.292	24%	0.242	S	C	.	.			trans	-62	127.2	-177	-24.2	34.9	0	0	0	111.8	G720 E724 K725	G720-P722 WeakPolarHBondContact O-CD 3.4Å; P722-E724 VanDerWaalsContact CB-OE1 3.27Å; P722-E724 WeakPolarHBondContact CB-OE1 3.34Å; P722-E724 WeakPolarHBondContact CB-OE2 3.48Å; P722-E724 PolarHBondContact O-N 2.97Å; P722-K725 HydrophobicContact CB-CG 4.22Å; P722-K725 WeakPolarHBondContact O-CB 3.45Å; P722-K725 WeakPolarHBondContact O-CG 3.4Å; P722-K725 PolarHBondContact O-N 3.45Å
723	I	97.3	Very high	97	Very high	38 Å²	38	50.8 Å²	50.8	20%	0.195	25%	0.253	C	S	.	.	H	α-helix	trans	-59.6	-23.6	-171.3	-168.2	62.3	0	0	0	113	V713 C716 V721 K725 I726 Y727 I739	V713-I723 HydrophobicContact CG2-CD1 4.16Å; C716-I723 HydrophobicContact CB-CD1 4Å; C716-I723 VanDerWaalsContact SG-CD1 3.59Å; V721-I723 PolarHBondContact O-N 2.7Å; I723-K725 VanDerWaalsContact C-N 3.26Å; I723-K725 PolarHBondContact O-N 2.64Å; I723-I726 PolarHBondContact O-N 2.95Å; I723-Y727 HydrophobicContact CD1-CD2 3.71Å; I723-Y727 HydrophobicContact CD1-CE2 4.17Å; I723-Y727 HydrophobicContact CG1-CD2 4.15Å; I723-Y727 PolarHBondContact O-N 3.43Å; I723-I739 HydrophobicContact CG1-CD1 4.26Å; I723-I739 HydrophobicContact CG1-CG1 4.26Å
724	E	96.6	Very high	96.9	Very high	75 Å²	75	51.8 Å²	51.8	35%	0.35	26%	0.257	S	S	.	.	H	α-helix	trans	-74.6	-8.8	174.4	84.4	-62.6	158.5	0	0	114.9	P722 Y727	P722-E724 VanDerWaalsContact CB-OE1 3.27Å; P722-E724 WeakPolarHBondContact CB-OE1 3.34Å; P722-E724 WeakPolarHBondContact CB-OE2 3.48Å; P722-E724 PolarHBondContact O-N 2.97Å; E724-Y727 WeakPolarHBondContact CA-O 3.49Å
725	K	95.4	Very high	96.8	Very high	107 Å²	107	51.5 Å²	51.5	47%	0.465	26%	0.255	S	S	.	.	H	α-helix	trans	-76.5	-34.3	166.2	-52.4	-49	-175.6	-126.4	0	111.6	I599 P722 I723	I599-K725 HydrophobicContact CD1-CB 3.76Å; I599-K725 HydrophobicContact CD1-CG 4.12Å; I599-K725 HydrophobicContact CG1-CB 4.46Å; P722-K725 HydrophobicContact CB-CG 4.22Å; P722-K725 WeakPolarHBondContact O-CB 3.45Å; P722-K725 WeakPolarHBondContact O-CG 3.4Å; P722-K725 PolarHBondContact O-N 3.45Å; I723-K725 VanDerWaalsContact C-N 3.26Å; I723-K725 PolarHBondContact O-N 2.64Å
726	I	96.8	Very high	96.7	Very high	7 Å²	7	51.5 Å²	51.5	4%	0.036	26%	0.257	C	S	.	.	H	α-helix	trans	-89	-46.9	-179.2	-59.2	-51.7	0	0	0	111.2	I599 Y602 K703 W715 C716 V721 I723	I599-I726 HydrophobicContact CG1-CD1 4.28Å; Y602-I726 HydrophobicContact CD1-CD1 4.01Å; Y602-I726 HydrophobicContact CD2-CD1 4.04Å; Y602-I726 HydrophobicContact CD2-CG1 4.46Å; Y602-I726 HydrophobicContact CD2-CG2 4.43Å; Y602-I726 HydrophobicContact CE1-CG2 4.02Å; Y602-I726 HydrophobicContact CE2-CD1 4.46Å; Y602-I726 HydrophobicContact CE2-CG2 3.77Å; Y602-I726 HydrophobicContact CG-CD1 3.82Å; K703-I726 WeakPolarHBondContact CE-O 3.48Å; K703-I726 PolarHBondContact NZ-O 3.47Å; W715-I726 HydrophobicContact CZ3-CD1 4.01Å; W715-I726 HydrophobicContact CZ3-CG1 4.09Å; C716-I726 VanDerWaalsContact SG-CG1 3.57Å; V721-I726 HydrophobicContact CG1-CG1 4.42Å; I723-I726 PolarHBondContact O-N 2.95Å
727	Y	97.3	Very high	96.6	Very high	1 Å²	1	51.2 Å²	51.2	0%	0.004	26%	0.255	C	S	.	.	S	Bend	trans	-115.2	126.5	-177.4	-69.4	-49.5	0	0	0	112.4	K703 P709 S712 I723 E724 Q731 R732 F735	K703-Y727 HydrophobicContact CD-CE1 4.5Å; K703-Y727 HydrophobicContact CG-CE1 3.93Å; P709-Y727 WeakPolarHBondContact CA-OH 3.31Å; S712-Y727 WeakPolarHBondContact CB-OH 3.32Å; S712-Y727 PolarHBondContact OG-OH 3.19Å; S712-Y727 VanDerWaalsContact OG-OH 3.13Å; I723-Y727 HydrophobicContact CD1-CD2 3.71Å; I723-Y727 HydrophobicContact CD1-CE2 4.17Å; I723-Y727 HydrophobicContact CG1-CD2 4.15Å; I723-Y727 PolarHBondContact O-N 3.43Å; E724-Y727 WeakPolarHBondContact CA-O 3.49Å; Y727-Q731 HydrophobicContact CD1-CB 3.84Å; Y727-Q731 HydrophobicContact CD1-CG 4.39Å; Y727-Q731 HydrophobicContact CG-CB 4.1Å; Y727-R732 PolarHBondContact O-NH1 2.71Å; Y727-F735 HydrophobicContact CD1-CD2 4.13Å; Y727-F735 HydrophobicContact CD1-CE2 4.26Å; Y727-F735 HydrophobicContact CD2-CD2 4.43Å; Y727-F735 AromaticContact CE1-CD2 3.8Å; Y727-F735 HydrophobicContact CE1-CD2 3.8Å; Y727-F735 AromaticContact CE1-CE2 3.69Å; Y727-F735 HydrophobicContact CE1-CE2 3.69Å; Y727-F735 HydrophobicContact CE2-CD2 4.14Å; Y727-F735 HydrophobicContact CG-CD2 4.44Å; Y727-F735 AromaticContact CZ-CD2 3.82Å; Y727-F735 AromaticContact CZ-CE2 3.96Å
728	N	96.1	Very high	96.6	Very high	78 Å²	78	46.8 Å²	46.8	42%	0.417	24%	0.236	S	C	.	.			trans	-67.4	174.6	172.7	76	26	0	0	0	112.1	T730 Q731 R732	N728-T730 PolarHBondContact O-N 3.26Å; N728-T730 PolarHBondContact OD1-N 2.92Å; N728-Q731 PolarHBondContact O-N 3.26Å; N728-Q731 VanDerWaalsContact O-N 3.14Å; N728-Q731 WeakPolarHBondContact OD1-CB 3.4Å; N728-Q731 WeakPolarHBondContact OD1-CG 3.25Å; N728-Q731 PolarHBondContact OD1-N 3.49Å; N728-R732 WeakPolarHBondContact O-CG 3.47Å; N728-R732 PolarHBondContact O-N 2.87Å
729	K	95.7	Very high	96.6	Very high	125 Å²	125	44.3 Å²	44.3	54%	0.543	23%	0.227	S	C	.	.	H	α-helix	trans	-53.3	-52.4	-176.2	176	170.3	169	170	0	112.1	Q731 R732 E733	K729-Q731 VanDerWaalsContact C-N 3.29Å; K729-Q731 PolarHBondContact O-N 3.05Å; K729-R732 PolarHBondContact O-N 3.03Å; K729-R732 VanDerWaalsContact O-N 3.14Å; K729-E733 WeakPolarHBondContact CE-OE1 3.46Å; K729-E733 IonicContact NZ-OE1 3.64Å; K729-E733 WeakPolarHBondContact O-CG 3.43Å; K729-E733 PolarHBondContact O-N 2.69Å
730	T	93.8	Very high	96.5	Very high	77 Å²	77	43.7 Å²	43.7	47%	0.472	23%	0.23	S	C	.	.	H	α-helix	trans	-63.6	-32.9	-179.2	-37	0	0	0	0	112.7	N728 E733 K734	N728-T730 PolarHBondContact O-N 3.26Å; N728-T730 PolarHBondContact OD1-N 2.92Å; T730-E733 WeakPolarHBondContact O-CB 3.31Å; T730-E733 PolarHBondContact O-N 2.9Å; T730-K734 PolarHBondContact O-N 3.16Å
731	Q	96.1	Very high	96.4	Very high	29 Å²	29	44.6 Å²	44.6	14%	0.136	22%	0.22	C	C	.	.	H	α-helix	trans	-69.7	-38.5	174.6	-73.3	165	-14.4	0	0	112	L704 Y727 N728 K729 E733 K734 F735	L704-Q731 HydrophobicContact CD2-CG 3.75Å; Y727-Q731 HydrophobicContact CD1-CB 3.84Å; Y727-Q731 HydrophobicContact CD1-CG 4.39Å; Y727-Q731 HydrophobicContact CG-CB 4.1Å; N728-Q731 PolarHBondContact O-N 3.26Å; N728-Q731 VanDerWaalsContact O-N 3.14Å; N728-Q731 WeakPolarHBondContact OD1-CB 3.4Å; N728-Q731 WeakPolarHBondContact OD1-CG 3.25Å; N728-Q731 PolarHBondContact OD1-N 3.49Å; K729-Q731 VanDerWaalsContact C-N 3.29Å; K729-Q731 PolarHBondContact O-N 3.05Å; Q731-E733 VanDerWaalsContact C-N 3.3Å; Q731-K734 PolarHBondContact O-N 2.72Å; Q731-F735 WeakPolarHBondContact O-CB 3.23Å; Q731-F735 VanDerWaalsContact O-CD2 3.31Å; Q731-F735 WeakPolarHBondContact O-CD2 3.35Å; Q731-F735 PolarHBondContact O-N 3.01Å
732	R	96.8	Very high	96.4	Very high	78 Å²	78	44.6 Å²	44.6	29%	0.294	22%	0.22	S	C	.	.	H	α-helix	trans	-73.5	-21	172.3	-58.7	-166.5	-49.4	-86.1	12.8	113.2	Y727 N728 K729 A736 I739	Y727-R732 PolarHBondContact O-NH1 2.71Å; N728-R732 WeakPolarHBondContact O-CG 3.47Å; N728-R732 PolarHBondContact O-N 2.87Å; K729-R732 PolarHBondContact O-N 3.03Å; K729-R732 VanDerWaalsContact O-N 3.14Å; R732-A736 PolarHBondContact O-N 2.89Å; R732-I739 HydrophobicContact CB-CD1 3.8Å; R732-I739 HydrophobicContact CG-CD1 3.86Å
733	E	95.4	Very high	96.3	Very high	47 Å²	47	46.6 Å²	46.6	22%	0.22	23%	0.229	C	C	.	.	H	α-helix	trans	-71.7	-47.5	167.6	-72.7	169.5	173	0	0	111	S415 K729 T730 Q731	S415-E733 WeakPolarHBondContact CB-O 3Å; K729-E733 WeakPolarHBondContact CE-OE1 3.46Å; K729-E733 IonicContact NZ-OE1 3.64Å; K729-E733 WeakPolarHBondContact O-CG 3.43Å; K729-E733 PolarHBondContact O-N 2.69Å; T730-E733 WeakPolarHBondContact O-CB 3.31Å; T730-E733 PolarHBondContact O-N 2.9Å; Q731-E733 VanDerWaalsContact C-N 3.3Å
734	K	95.9	Very high	96.2	Very high	24 Å²	24	49.2 Å²	49.2	10%	0.104	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-50.1	173.8	-178.2	-175.9	174.3	-170.5	0	112.4	P414 D423 L704 T730 Q731 A736 W737	P414-K734 HydrophobicContact CB-CB 4.23Å; P414-K734 HydrophobicContact CB-CD 3.93Å; P414-K734 HydrophobicContact CB-CG 3.81Å; D423-K734 IonicContact OD1-NZ 3.9Å; D423-K734 WeakPolarHBondContact OD2-CE 3.46Å; D423-K734 IonicContact OD2-NZ 2.73Å; D423-K734 PolarHBondContact OD2-NZ 2.82Å; L704-K734 PolarHBondContact O-NZ 2.94Å; T730-K734 PolarHBondContact O-N 3.16Å; Q731-K734 PolarHBondContact O-N 2.72Å; K734-A736 VanDerWaalsContact C-N 3.29Å; K734-A736 PolarHBondContact O-N 3.38Å; K734-W737 PolarHBondContact O-NE1 3.09Å
735	F	97.4	Very high	96.3	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94	26.8	-171.7	-58.5	-47.3	0	0	0	113.3	P709 Y727 Q731 W737 A738 I739	P709-F735 HydrophobicContact CB-CB 3.97Å; P709-F735 HydrophobicContact CB-CD1 3.62Å; P709-F735 HydrophobicContact CB-CD2 3.98Å; P709-F735 HydrophobicContact CB-CE1 3.98Å; P709-F735 HydrophobicContact CB-CE2 4.32Å; P709-F735 HydrophobicContact CB-CG 3.61Å; P709-F735 HydrophobicContact CB-CZ 4.31Å; P709-F735 HydrophobicContact CG-CB 4.42Å; P709-F735 HydrophobicContact CG-CD1 3.55Å; P709-F735 HydrophobicContact CG-CE1 3.87Å; P709-F735 HydrophobicContact CG-CG 4.05Å; Y727-F735 HydrophobicContact CD1-CD2 4.13Å; Y727-F735 HydrophobicContact CD1-CE2 4.26Å; Y727-F735 HydrophobicContact CD2-CD2 4.43Å; Y727-F735 AromaticContact CE1-CD2 3.8Å; Y727-F735 HydrophobicContact CE1-CD2 3.8Å; Y727-F735 AromaticContact CE1-CE2 3.69Å; Y727-F735 HydrophobicContact CE1-CE2 3.69Å; Y727-F735 HydrophobicContact CE2-CD2 4.14Å; Y727-F735 HydrophobicContact CG-CD2 4.44Å; Y727-F735 AromaticContact CZ-CD2 3.82Å; Y727-F735 AromaticContact CZ-CE2 3.96Å; Q731-F735 WeakPolarHBondContact O-CB 3.23Å; Q731-F735 VanDerWaalsContact O-CD2 3.31Å; Q731-F735 WeakPolarHBondContact O-CD2 3.35Å; Q731-F735 PolarHBondContact O-N 3.01Å; F735-W737 VanDerWaalsContact C-N 3.34Å; F735-W737 PolarHBondContact O-N 3.42Å; F735-A738 HydrophobicContact CB-CB 4.46Å; F735-A738 PolarHBondContact O-N 2.88Å; F735-I739 WeakPolarHBondContact O-CG1 3.36Å; F735-I739 PolarHBondContact O-N 3.33Å
736	A	96.9	Very high	96.4	Very high	12 Å²	12	47.6 Å²	47.6	10%	0.099	24%	0.237	C	C	.	.	H	α-helix	trans	-53	-50.3	179.3	0	0	0	0	0	112.3	W189 R732 K734 A738 I739 D740	W189-A736 HydrophobicContact CH2-CB 3.89Å; W189-A736 HydrophobicContact CZ3-CB 4.11Å; R732-A736 PolarHBondContact O-N 2.89Å; K734-A736 VanDerWaalsContact C-N 3.29Å; K734-A736 PolarHBondContact O-N 3.38Å; A736-A738 VanDerWaalsContact C-N 3.3Å; A736-A738 PolarHBondContact O-N 3.18Å; A736-I739 PolarHBondContact O-N 3.44Å; A736-I739 VanDerWaalsContact O-N 3.16Å; A736-D740 WeakPolarHBondContact O-CB 3.16Å; A736-D740 PolarHBondContact O-N 3.19Å
737	W	96.4	Very high	96.4	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-51.3	-46.2	176.4	62.5	-86.3	0	0	0	112.7	W188 W189 W424 Y427 P709 R710 K734 F735 M741	W188-W737 HydrophobicContact CH2-CB 3.75Å; W188-W737 AromaticContact CH2-CD1 3.86Å; W188-W737 HydrophobicContact CH2-CD2 4.38Å; W188-W737 AromaticContact CH2-CG 3.72Å; W188-W737 HydrophobicContact CH2-CG 3.72Å; W188-W737 HydrophobicContact CZ2-CB 3.73Å; W188-W737 AromaticContact CZ2-CD1 3.61Å; W188-W737 AromaticContact CZ2-CG 3.8Å; W188-W737 HydrophobicContact CZ2-CG 3.8Å; W189-W737 HydrophobicContact CB-CB 4.21Å; W189-W737 HydrophobicContact CD2-CB 3.67Å; W189-W737 HydrophobicContact CE3-CB 3.51Å; W189-W737 HydrophobicContact CG-CB 4.01Å; W189-W737 HydrophobicContact CZ3-CB 4.1Å; W424-W737 HydrophobicContact CB-CD2 4.43Å; W424-W737 HydrophobicContact CB-CE3 4.14Å; W424-W737 HydrophobicContact CB-CH2 3.94Å; W424-W737 HydrophobicContact CB-CZ2 4.2Å; W424-W737 HydrophobicContact CB-CZ3 3.89Å; W424-W737 AromaticContact CD1-CZ3 3.59Å; W424-W737 HydrophobicContact CG-CE3 4.15Å; W424-W737 HydrophobicContact CG-CH2 4.31Å; W424-W737 AromaticContact CG-CZ3 3.85Å; W424-W737 HydrophobicContact CG-CZ3 3.85Å; Y427-W737 AromaticContact CD2-CH2 3.98Å; Y427-W737 HydrophobicContact CD2-CH2 3.98Å; Y427-W737 HydrophobicContact CD2-CZ2 4.23Å; Y427-W737 HydrophobicContact CE2-CZ2 4.36Å; P709-W737 HydrophobicContact CG-CH2 3.76Å; P709-W737 HydrophobicContact CG-CZ2 3.55Å; R710-W737 HydrophobicContact CG-CZ3 4.14Å; K734-W737 PolarHBondContact O-NE1 3.09Å; F735-W737 VanDerWaalsContact C-N 3.34Å; F735-W737 PolarHBondContact O-N 3.42Å; W737-M741 HydrophobicContact CE3-SD 3.68Å; W737-M741 HydrophobicContact CZ3-SD 4.13Å; W737-M741 VanDerWaalsContact O-CB 3.31Å; W737-M741 WeakPolarHBondContact O-CB 3.44Å; W737-M741 WeakPolarHBondContact O-CG 3.47Å; W737-M741 PolarHBondContact O-N 2.64Å
738	A	97.6	Very high	96.4	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-73.4	-31.5	-178.1	0	0	0	0	0	113.6	P709 R710 F735 A736 A742	P709-A738 HydrophobicContact CB-CB 3.82Å; P709-A738 HydrophobicContact CG-CB 3.53Å; R710-A738 HydrophobicContact CG-CB 3.59Å; F735-A738 HydrophobicContact CB-CB 4.46Å; F735-A738 PolarHBondContact O-N 2.88Å; A736-A738 VanDerWaalsContact C-N 3.3Å; A736-A738 PolarHBondContact O-N 3.18Å; A738-A742 WeakPolarHBondContact O-CB 3.36Å; A738-A742 PolarHBondContact O-N 3.15Å
739	I	97.4	Very high	96.4	Very high	44 Å²	44	52 Å²	52	23%	0.226	26%	0.256	C	S	.	.	H	α-helix	trans	-71.9	-37.6	178.2	-68.1	165.1	0	0	0	110.8	V713 K717 I723 R732 F735 A736	V713-I739 HydrophobicContact CG2-CB 4.39Å; V713-I739 HydrophobicContact CG2-CG1 3.75Å; K717-I739 PolarHBondContact NZ-O 3Å; I723-I739 HydrophobicContact CG1-CD1 4.26Å; I723-I739 HydrophobicContact CG1-CG1 4.26Å; R732-I739 HydrophobicContact CB-CD1 3.8Å; R732-I739 HydrophobicContact CG-CD1 3.86Å; F735-I739 WeakPolarHBondContact O-CG1 3.36Å; F735-I739 PolarHBondContact O-N 3.33Å; A736-I739 PolarHBondContact O-N 3.44Å; A736-I739 VanDerWaalsContact O-N 3.16Å
740	D	96	Very high	96.4	Very high	71 Å²	71	48.2 Å²	48.2	38%	0.38	24%	0.24	S	C	.	.	H	α-helix	trans	-74.3	-56.2	178.3	-166.3	71.9	0	0	0	111.1	K187 W189 A736 A742	K187-D740 VanDerWaalsContact CE-OD2 3.31Å; K187-D740 WeakPolarHBondContact CE-OD2 3.29Å; K187-D740 IonicContact NZ-OD1 3.66Å; K187-D740 PolarHBondContact NZ-OD1 2.88Å; K187-D740 IonicContact NZ-OD2 3.93Å; K187-D740 PolarHBondContact NZ-OD2 2.94Å; W189-D740 HydrophobicContact CZ2-CB 3.7Å; W189-D740 PolarHBondContact NE1-OD2 2.81Å; A736-D740 WeakPolarHBondContact O-CB 3.16Å; A736-D740 PolarHBondContact O-N 3.19Å; D740-A742 PolarHBondContact O-N 3.17Å
741	M	94.4	Very high	96.6	Very high	75 Å²	75	46.6 Å²	46.6	37%	0.369	23%	0.227	S	C	.	.	H	α-helix	trans	-80.1	-17.7	-166.8	86.3	-175.8	-55.2	0	0	116.7	W424 W737	W424-M741 HydrophobicContact CZ2-CE 4.03Å; W737-M741 HydrophobicContact CE3-SD 3.68Å; W737-M741 HydrophobicContact CZ3-SD 4.13Å; W737-M741 VanDerWaalsContact O-CB 3.31Å; W737-M741 WeakPolarHBondContact O-CB 3.44Å; W737-M741 WeakPolarHBondContact O-CG 3.47Å; W737-M741 PolarHBondContact O-N 2.64Å
742	A	96.6	Very high	96.6	Very high	3 Å²	3	47.6 Å²	47.6	3%	0.025	23%	0.233	C	C	.	.			trans	-103.5	126.6	-171.8	0	0	0	0	0	112.3	R710 V713 K717 A738 D740	R710-A742 HydrophobicContact CB-CB 3.81Å; R710-A742 HydrophobicContact CG-CB 3.79Å; V713-A742 HydrophobicContact CG1-CB 4.3Å; K717-A742 WeakPolarHBondContact CE-O 3.21Å; K717-A742 PolarHBondContact NZ-O 3.27Å; A738-A742 WeakPolarHBondContact O-CB 3.36Å; A738-A742 PolarHBondContact O-N 3.15Å; D740-A742 PolarHBondContact O-N 3.17Å
743	D	95.8	Very high	96.6	Very high	88 Å²	88	45.7 Å²	45.7	47%	0.471	23%	0.229	S	C	.	.			trans	-73.5	-162.3	171.8	55.4	57.2	0	0	0	112.8	A714 D745 Y746	A714-D743 VanDerWaalsContact CA-O 3.23Å; A714-D743 WeakPolarHBondContact CA-O 3.42Å; A714-D743 VanDerWaalsContact CB-O 3.28Å; A714-D743 WeakPolarHBondContact CB-O 3.46Å; D743-D745 WeakPolarHBondContact OD1-CA 3.41Å; D743-D745 PolarHBondContact OD1-N 3.27Å; D743-Y746 PolarHBondContact OD1-N 2.99Å
744	E	96.8	Very high	96.7	Very high	92 Å²	92	45.6 Å²	45.6	43%	0.43	23%	0.23	S	C	.	.	S	Bend	trans	-98.4	-1	179	68	-179.7	-168.3	0	0	115.3	K717 K718	K717-E744 HydrophobicContact CB-CB 3.71Å; K718-E744 WeakPolarHBondContact CA-OE2 3.47Å; K718-E744 HydrophobicContact CB-CB 4.03Å; K718-E744 PolarHBondContact N-OE2 2.99Å; K718-E744 PolarHBondContact NZ-O 3.45Å
745	D	96.8	Very high	96.7	Very high	119 Å²	119	47.1 Å²	47.1	64%	0.636	24%	0.239	S	C	*	.	S	Bend	trans	-112	-5.2	-179.4	-69.4	-46.6	0	0	0	112.9	K718 D743 E747	K718-D745 IonicContact NZ-OD1 3.59Å; K718-D745 PolarHBondContact NZ-OD1 3.45Å; D743-D745 WeakPolarHBondContact OD1-CA 3.41Å; D743-D745 PolarHBondContact OD1-N 3.27Å; D745-E747 PolarHBondContact O-N 2.84Å; D745-E747 VanDerWaalsContact O-N 3.14Å
746	Y	98	Very high	96.6	Very high	30 Å²	30	50.8 Å²	50.8	12%	0.118	26%	0.257	C	S	.	.			trans	-43.7	116.2	176.3	174.1	-93	0	0	0	113.3	R431 D708 R710 I711 D743 F748	R431-Y746 WeakPolarHBondContact CD-OH 3.43Å; R431-Y746 PolarHBondContact NE-OH 2.83Å; D708-Y746 PolarHBondContact OD2-OH 3.39Å; R710-Y746 HydrophobicContact CB-CD1 3.59Å; R710-Y746 HydrophobicContact CB-CD2 4.29Å; R710-Y746 HydrophobicContact CB-CE1 3.4Å; R710-Y746 VanDerWaalsContact CB-CE1 3.4Å; R710-Y746 HydrophobicContact CB-CE2 4.12Å; R710-Y746 HydrophobicContact CB-CG 4.05Å; R710-Y746 PolarHBondContact NE-OH 2.97Å; R710-Y746 PolarHBondContact NH2-OH 2.99Å; I711-Y746 HydrophobicContact CG1-CE1 4.11Å; D743-Y746 PolarHBondContact OD1-N 2.99Å; Y746-F748 HydrophobicContact CE1-CB 4.09Å
747	E	96.8	Very high	96.6	Very high	120 Å²	120	54 Å²	54	56%	0.561	27%	0.27	S	S	*	.			trans	-101.3	128.7	168.9	-144.1	-168.7	121	0	0	110.6	R431 K434 D745	R431-E747 PolarHBondContact NH2-O 2.9Å; K434-E747 IonicContact NZ-OE1 3.65Å; K434-E747 PolarHBondContact NZ-OE1 3.33Å; D745-E747 PolarHBondContact O-N 2.84Å; D745-E747 VanDerWaalsContact O-N 3.14Å
748	F	96.9	Very high	96.6	Very high	6 Å²	6	58.9 Å²	58.9	3%	0.026	30%	0.295	C	S	.	.			trans	-71.7	0	172.4	167	-94.6	0	0	0	110.2	A430 R431 K434 Y575 S578 I579 D708 I711 Y746	A430-F748 HydrophobicContact CB-CE2 4.16Å; A430-F748 HydrophobicContact CB-CZ 3.75Å; R431-F748 HydrophobicContact CG-CD2 3.41Å; R431-F748 VanDerWaalsContact CG-CD2 3.41Å; R431-F748 HydrophobicContact CG-CE2 3.44Å; R431-F748 VanDerWaalsContact CG-CE2 3.44Å; R431-F748 HydrophobicContact CG-CG 4.05Å; R431-F748 HydrophobicContact CG-CZ 4.09Å; R431-F748 VanDerWaalsContact CG-O 3.29Å; R431-F748 WeakPolarHBondContact CG-O 3.37Å; R431-F748 PolarHBondContact NE-O 2.84Å; K434-F748 WeakPolarHBondContact CD-OXT 3.44Å; K434-F748 WeakPolarHBondContact CE-OXT 3.37Å; K434-F748 PolarHBondContact NZ-OXT 3.15Å; Y575-F748 AromaticContact CD2-CE1 3.91Å; Y575-F748 HydrophobicContact CD2-CE1 3.91Å; Y575-F748 HydrophobicContact CD2-CZ 4.35Å; Y575-F748 HydrophobicContact CE2-CE1 4.41Å; S578-F748 VanDerWaalsContact CB-CZ 3.46Å; I579-F748 HydrophobicContact CB-CD1 4.47Å; I579-F748 HydrophobicContact CB-CE1 4.39Å; I579-F748 HydrophobicContact CD1-CD1 4.39Å; D708-F748 HydrophobicContact CB-CD2 3.76Å; D708-F748 HydrophobicContact CB-CE2 4.14Å; D708-F748 WeakPolarHBondContact OD2-CD2 3.29Å; I711-F748 HydrophobicContact CD1-CB 3.77Å; I711-F748 HydrophobicContact CD1-CD2 4.36Å; I711-F748 HydrophobicContact CD1-CG 4.02Å; I711-F748 HydrophobicContact CG1-CB 3.85Å; Y746-F748 HydrophobicContact CE1-CB 4.09Å

Retrieved 748 of 748 residues in 281.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).