A0A2K5KXF2_CERAT Loading...

Heparan-sulfate 6-O-sulfotransferase

6-O-sulfation enzyme which catalyzes the transfer of sulfate from 3'-phosphoadenosine 5'-phosphosulfate (PAPS) to position 6 of the N-sulfoglucosamine residue (GlcNS) of heparan sulfate.

AlphaFold DB , UniProt , Accession A0A2K5KXF2, Species CERAT (Cercocebus atys, Sooty mangabey), Gene HS6ST2, Length 645 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	36.7	Very low	245 Å²	245	147.2 Å²	147.2	100%	1.207	86%	0.863	S	S	*	*				0	151.8	0	-74	171.1	165.9	0	0	108.6
2	A	34.8	Very low	36.3	Very low	102 Å²	102	150.4 Å²	150.4	84%	0.843	86%	0.863	S	S	*	*			trans	49	119.6	162.3	0	0	0	0	0	121.2
3	L	37.9	Very low	36.6	Very low	164 Å²	164	146.9 Å²	146.9	86%	0.859	85%	0.849	S	S	*	*			trans	-86.3	158.4	140.9	-67.7	165.9	0	0	0	108
4	P	54.4	Low	37.1	Very low	120 Å²	120	145.8 Å²	145.8	78%	0.779	85%	0.849	S	S	*	*				-132.6	169.6	77.3	16.3	7.4	0	0	0	112.6
5	A	39.1	Very low	36.7	Very low	86 Å²	86	152.3 Å²	152.3	71%	0.711	85%	0.854	S	S	*	*			cis	95.4	132.8	17	0	0	0	0	0	116.9
6	C	33	Very low	36.6	Very low	135 Å²	135	153.7 Å²	153.7	91%	0.912	85%	0.852	S	S	*	*			trans	68.4	156.7	179.6	-64.2	0	0	0	0	116.4
7	A	35.3	Very low	36.9	Very low	99 Å²	99	152.2 Å²	152.2	82%	0.818	85%	0.851	S	S	*	*			cis	-138.8	174.3	11.6	0	0	0	0	0	114.3
8	V	35	Very low	36.6	Very low	139 Å²	139	151.3 Å²	151.3	84%	0.842	84%	0.839	S	S	*	*			trans	-98.8	145.8	-176.3	173.4	0	0	0	0	112.1
9	R	32.7	Very low	36.6	Very low	238 Å²	238	154.7 Å²	154.7	90%	0.898	84%	0.838	S	S	*	*			trans	-152.9	137.8	147.8	-117.5	172.2	-173.7	168.1	2.6	112
10	A	33.6	Very low	36.2	Very low	89 Å²	89	151.1 Å²	151.1	74%	0.736	84%	0.838	S	S	*	*			trans	-104.6	157.2	174.3	0	0	0	0	0	110.6
11	F	33.2	Very low	36	Very low	202 Å²	202	148.6 Å²	148.6	89%	0.886	84%	0.837	S	S	*	*			trans	-142.8	136.8	167	-101.1	-85	0	0	0	110
12	E	32.3	Very low	36.4	Very low	186 Å²	186	142.9 Å²	142.9	87%	0.869	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-89	164.1	177.8	-96.6	-162	131.7	0	0	112.7
13	P	40.1	Very low	36.1	Very low	105 Å²	105	142.8 Å²	142.8	68%	0.682	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-81	155.5	-171.4	32.8	-36.8	0	0	0	114.4
14	P	43.1	Very low	35.7	Very low	131 Å²	131	146 Å²	146	85%	0.851	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-69.2	145.5	174.4	29.4	-34.9	0	0	0	112.6
15	R	32.2	Very low	34.5	Very low	243 Å²	243	146.4 Å²	146.4	92%	0.917	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-90.3	165.4	-179.8	-69.5	-175.7	176.2	-171.3	-0.4	113.2
16	Q	34.9	Very low	34	Very low	175 Å²	175	148.5 Å²	148.5	82%	0.818	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-68.1	156.8	172.5	-58.1	173.5	-7.1	0	0	113.1
17	P	40.8	Very low	33.7	Very low	129 Å²	129	147.5 Å²	147.5	84%	0.838	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-88.2	146.2	147.9	35.1	-29.6	0	0	0	111.5
18	E	32.9	Very low	33.9	Very low	135 Å²	135	149 Å²	149	63%	0.631	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-100	151.6	178.6	-112.5	-150.9	144.4	0	0	113.6
19	R	35.1	Very low	33.7	Very low	217 Å²	217	151.4 Å²	151.4	82%	0.819	81%	0.811	S	S	*	*			trans	53.5	123.6	152.5	-61.5	179.4	-162.8	-166.4	11.7	120.5
20	G	28.7	Very low	33.5	Very low	82 Å²	82	152 Å²	152	85%	0.845	81%	0.813	S	S	*	*			trans	-155.1	114.2	158.5	0	0	0	0	0	112.6
21	A	31.8	Very low	33.3	Very low	98 Å²	98	156.1 Å²	156.1	81%	0.81	82%	0.817	S	S	*	*			trans	-156.7	149.4	169	0	0	0	0	0	106.7
22	P	42.5	Very low	33.3	Very low	126 Å²	126	151.4 Å²	151.4	82%	0.818	81%	0.809	S	S	*	*			cis	-138	-173.2	34.3	42.7	-25.8	0	0	0	114.6
23	A	28.6	Very low	33.2	Very low	100 Å²	100	152.8 Å²	152.8	83%	0.826	81%	0.806	S	S	*	*			trans	167	156.1	132.9	0	0	0	0	0	113.1
24	R	31.2	Very low	32.8	Very low	232 Å²	232	152.2 Å²	152.2	88%	0.875	80%	0.801	S	S	*	*			trans	-94.3	178.4	177	-83.7	173.4	156.7	176.4	-6.4	112
25	T	27.9	Very low	32.2	Very low	128 Å²	128	153.7 Å²	153.7	79%	0.785	80%	0.796	S	S	*	*			trans	80.8	146.1	162.4	75.2	0	0	0	0	115.3
26	T	29.8	Very low	32.1	Very low	129 Å²	129	146.2 Å²	146.2	79%	0.791	79%	0.786	S	S	*	*			cis	-148.1	156.9	1.7	-18.3	0	0	0	0	111.4
27	C	27.1	Very low	31.9	Very low	114 Å²	114	145.6 Å²	145.6	77%	0.77	78%	0.783	S	S	*	*			trans	-84.7	161.6	161.1	-59	0	0	0	0	111.1
28	P	37.6	Very low	31.3	Very low	130 Å²	130	147 Å²	147	84%	0.844	78%	0.783	S	S	*	*			trans	-123.9	153.6	131	35.6	-30.6	0	0	0	113.2
29	R	32.1	Very low	31	Very low	191 Å²	191	145.1 Å²	145.1	72%	0.721	79%	0.791	S	S	*	*			trans	-115.2	149.7	173.1	-76.4	-179	173.6	174.2	-4.1	111.1	H31	R29-H31 PolarHBondContact NH1-NE2 3.5Å
30	R	27.5	Very low	30.7	Very low	249 Å²	249	139.7 Å²	139.7	94%	0.94	79%	0.792	S	S	*	*			trans	-137.4	129.5	134.8	-72.9	-170.7	172.3	-172.9	-3.3	105.9
31	H	30.7	Very low	30.7	Very low	176 Å²	176	141.2 Å²	141.2	82%	0.815	79%	0.79	S	S	*	*			cis	64.5	130	41.4	-69	-68.9	0	0	0	113.2	R29	R29-H31 PolarHBondContact NH1-NE2 3.5Å
32	S	31.6	Very low	30.7	Very low	104 Å²	104	148.1 Å²	148.1	73%	0.727	80%	0.795	S	S	*	*			cis	-142.2	-169.5	-3.1	59.8	0	0	0	0	108.4
33	R	30.7	Very low	30.4	Very low	214 Å²	214	148.2 Å²	148.2	81%	0.808	80%	0.795	S	S	*	*			cis	-154.3	142.3	17.2	-156.9	172.5	174.6	127.2	4.8	106.6
34	V	31.3	Very low	30.5	Very low	93 Å²	93	147.1 Å²	147.1	56%	0.564	79%	0.794	S	S	*	*				71.3	133.2	55.2	154.5	0	0	0	0	113.3
35	E	31.7	Very low	30.4	Very low	163 Å²	163	141.9 Å²	141.9	76%	0.762	79%	0.793	S	S	*	*			cis	-110.7	-134.8	0.7	-146	69.9	-89	0	0	111
36	A	29.6	Very low	30.5	Very low	85 Å²	85	142.4 Å²	142.4	70%	0.702	80%	0.796	S	S	*	*			cis	-153.7	140	3.6	0	0	0	0	0	113.4
37	E	30.2	Very low	30.5	Very low	162 Å²	162	141.1 Å²	141.1	76%	0.757	80%	0.798	S	S	*	*			trans	34.1	145.6	130.1	-62.8	-149.2	117.3	0	0	124.4
38	L	28.4	Very low	30.7	Very low	160 Å²	160	140.5 Å²	140.5	84%	0.838	80%	0.801	S	S	*	*			cis	-159.1	171.8	-17	-155.1	73.5	0	0	0	109.4
39	A	27.2	Very low	30.2	Very low	95 Å²	95	140.3 Å²	140.3	79%	0.785	80%	0.803	S	S	*	*			trans	-125.9	131.1	-176.2	0	0	0	0	0	115.1
40	A	27.8	Very low	30.1	Very low	103 Å²	103	137.2 Å²	137.2	85%	0.851	81%	0.805	S	S	*	*			trans	-165.7	149.7	163.5	0	0	0	0	0	108.1
41	S	29.1	Very low	30.2	Very low	113 Å²	113	136.8 Å²	136.8	79%	0.79	80%	0.803	S	S	*	*			cis	-154.1	166.4	2.5	51.7	0	0	0	0	111.3
42	R	32.6	Very low	30.2	Very low	243 Å²	243	133.6 Å²	133.6	92%	0.917	81%	0.807	S	S	*	*			trans	-138.3	129.7	161.7	-83.2	-174.3	175.6	-179.8	0.2	109.1
43	P	36.3	Very low	30.2	Very low	128 Å²	128	132 Å²	132	83%	0.831	81%	0.807	S	S	*	*			trans	-80.9	144	164.2	32.2	-31.4	0	0	0	111
44	G	30.8	Very low	31	Very low	78 Å²	78	127.7 Å²	127.7	80%	0.804	81%	0.807	S	S	*	*			trans	-95.3	-178.9	173.5	0	0	0	0	0	113.2
45	S	28.9	Very low	31.7	Very low	121 Å²	121	128.9 Å²	128.9	85%	0.846	82%	0.817	S	S	*	*			trans	-125.7	132.1	-178.8	-46.1	0	0	0	0	110.8
46	V	30.1	Very low	31.7	Very low	140 Å²	140	133.1 Å²	133.1	85%	0.848	83%	0.826	S	S	*	*			trans	-142.2	135.1	175.6	179.3	0	0	0	0	111.7
47	A	28.8	Very low	31.7	Very low	101 Å²	101	132.3 Å²	132.3	84%	0.835	83%	0.826	S	S	*	*			trans	61.3	150.1	162.9	0	0	0	0	0	120.2
48	A	31.3	Very low	31.8	Very low	102 Å²	102	131.4 Å²	131.4	84%	0.843	83%	0.831	S	S	*	*			trans	-131.7	155.5	168.5	0	0	0	0	0	108.9
49	S	28.3	Very low	31.9	Very low	125 Å²	125	128 Å²	128	87%	0.874	82%	0.82	S	S	*	*			trans	-148.4	171.9	163.9	-162.6	0	0	0	0	110.6
50	V	30.3	Very low	32	Very low	126 Å²	126	132.3 Å²	132.3	76%	0.764	82%	0.824	S	S	*	*			trans	-127.2	129.7	-154.9	175.8	0	0	0	0	112
51	R	29.3	Very low	32	Very low	241 Å²	241	130.5 Å²	130.5	91%	0.909	82%	0.815	S	S	*	*				178.6	168.7	127.9	-108.6	177.4	-178.2	-164.8	-0	115.6
52	A	30.9	Very low	31.9	Very low	109 Å²	109	134 Å²	134	90%	0.901	82%	0.816	S	S	*	*			trans	75.9	158	160.3	0	0	0	0	0	118.2
53	G	30.4	Very low	31.7	Very low	70 Å²	70	130 Å²	130	72%	0.722	81%	0.808	S	S	*	*			trans	-127.3	-160.5	-163.7	0	0	0	0	0	114.7
54	P	48	Very low	31.4	Very low	124 Å²	124	129.5 Å²	129.5	81%	0.805	81%	0.807	S	S	*	*			trans	-98.3	177.6	-151.6	40.6	-40	0	0	0	114.7
55	P	46.8	Very low	31.3	Very low	118 Å²	118	137.4 Å²	137.4	77%	0.766	81%	0.813	S	S	*	*				-145.4	146	100.4	37.9	-23.2	0	0	0	118
56	R	31.1	Very low	32.2	Very low	251 Å²	251	136.8 Å²	136.8	95%	0.947	81%	0.806	S	S	*	*			trans	29.9	130.8	136.3	-56.3	177.9	177.5	179.7	-1.4	122.5
57	G	30.4	Very low	32.2	Very low	69 Å²	69	137.1 Å²	137.1	71%	0.711	80%	0.803	S	S	*	*			trans	162.8	123.1	156.8	0	0	0	0	0	109.6
58	V	30.7	Very low	32.2	Very low	142 Å²	142	139.3 Å²	139.3	86%	0.861	80%	0.799	S	S	*	*			cis	70.3	124.8	40.7	-175.5	0	0	0	0	112.3
59	S	30.6	Very low	32.1	Very low	88 Å²	88	140.8 Å²	140.8	62%	0.615	79%	0.793	S	S	*	*			cis	-169	162.7	-18.7	-93.9	0	0	0	0	109.2
60	H	29.8	Very low	32.3	Very low	187 Å²	187	143.9 Å²	143.9	87%	0.866	79%	0.791	S	S	*	*			trans	62.7	168.1	173.6	-55	-77.6	0	0	0	115.6
61	G	26.9	Very low	32.9	Very low	64 Å²	64	143.5 Å²	143.5	66%	0.66	79%	0.791	S	S	*	*			cis	160.9	155.9	-16.7	0	0	0	0	0	114.5
62	F	28.7	Very low	32.8	Very low	186 Å²	186	143.4 Å²	143.4	82%	0.816	79%	0.79	S	S	*	*			trans	79.9	166.8	163.4	-80.6	-88.4	0	0	0	122.1
63	H	27.7	Very low	32.7	Very low	161 Å²	161	147.6 Å²	147.6	75%	0.745	79%	0.788	S	S	*	*			trans	-60.1	159.9	-162.5	-58	-46.5	0	0	0	115.6
64	S	29.4	Very low	32.6	Very low	117 Å²	117	149.2 Å²	149.2	82%	0.818	80%	0.795	S	S	*	*				-167.8	173.6	60.8	-70.7	0	0	0	0	116.5
65	R	29	Very low	31.7	Very low	243 Å²	243	148.7 Å²	148.7	92%	0.917	80%	0.795	S	S	*	*			trans	-126.3	177	165.3	-98.7	-174	174.3	-166	-1.7	107.3
66	P	48.4	Very low	30.9	Very low	109 Å²	109	148.3 Å²	148.3	71%	0.708	80%	0.795	S	S	*	*			cis	-143.4	-173.7	18.6	44.1	-24.9	0	0	0	116.6
67	L	29.2	Very low	30.7	Very low	147 Å²	147	141.2 Å²	141.2	77%	0.77	78%	0.783	S	S	*	*			trans	170.1	129.2	132.2	-86.8	161.5	0	0	0	108
68	L	29.7	Very low	30.5	Very low	146 Å²	146	145.9 Å²	145.9	76%	0.764	79%	0.791	S	S	*	*				54.2	137.7	97.9	-91.6	68.2	0	0	0	114.9
69	D	28.3	Very low	30.4	Very low	133 Å²	133	144 Å²	144	71%	0.711	79%	0.79	S	S	*	*			cis	-144.8	-138.9	29.4	-147.9	-22.6	0	0	0	116.7
70	K	32.2	Very low	30.2	Very low	191 Å²	191	143.9 Å²	143.9	83%	0.83	80%	0.803	S	S	*	*			trans	-112.9	176.6	-148.4	-95.7	-178.7	177.8	171.7	0	118.3
71	P	43.3	Very low	30.2	Very low	118 Å²	118	140.1 Å²	140.1	77%	0.766	80%	0.804	S	S	*	*			trans	-119.4	-176.5	-151.8	45.6	-38.3	0	0	0	116.9
72	R	27.8	Very low	30.4	Very low	238 Å²	238	142.1 Å²	142.1	90%	0.898	82%	0.815	S	S	*	*			trans	-147	126.2	161.3	-101.2	174.7	-172	-160.8	1.8	116.5
73	K	28.6	Very low	30.5	Very low	197 Å²	197	139.7 Å²	139.7	86%	0.857	82%	0.819	S	S	*	*			trans	38.7	100.2	143.6	-60.8	-172.5	176.7	-174.2	0	123.4
74	A	27.9	Very low	30.7	Very low	105 Å²	105	136.4 Å²	136.4	87%	0.868	82%	0.82	S	S	*	*				8.8	145.8	129.2	0	0	0	0	0	124.6
75	S	29.4	Very low	31.2	Very low	113 Å²	113	136.8 Å²	136.8	79%	0.79	82%	0.82	S	S	*	*			trans	-152.3	143.4	143.1	56.3	0	0	0	0	114.5
76	S	29.2	Very low	31.4	Very low	110 Å²	110	131.9 Å²	131.9	77%	0.769	81%	0.811	S	S	*	*			trans	30.1	120.6	153	56.1	0	0	0	0	125.3
77	S	27.2	Very low	31.3	Very low	101 Å²	101	136.9 Å²	136.9	71%	0.706	82%	0.822	S	S	*	*				83	100.5	117.8	-163.7	0	0	0	0	124
78	L	27.2	Very low	32	Very low	168 Å²	168	133.9 Å²	133.9	88%	0.88	82%	0.818	S	S	*	*			trans	47.8	113.9	131.3	-72.5	132.3	0	0	0	122.1
79	A	28.3	Very low	32.5	Very low	102 Å²	102	133.7 Å²	133.7	84%	0.843	82%	0.817	S	S	*	*				-166.3	154.8	115.3	0	0	0	0	0	111.8
80	G	26.3	Very low	33	Very low	86 Å²	86	135 Å²	135	89%	0.887	82%	0.824	S	S	*	*			trans	-71	153.4	-160.9	0	0	0	0	0	119.3
81	A	29.6	Very low	33.3	Very low	107 Å²	107	130.6 Å²	130.6	88%	0.884	82%	0.816	S	S	*	*			trans	-144.5	152.7	162.7	0	0	0	0	0	109.7
82	A	30.6	Very low	33.6	Very low	107 Å²	107	135.4 Å²	135.4	88%	0.884	82%	0.82	S	S	*	*			trans	-95.4	172.2	-164.8	0	0	0	0	0	115.7
83	C	31.6	Very low	34.5	Very low	134 Å²	134	127.9 Å²	127.9	91%	0.905	82%	0.816	S	S	*	*			trans	-65.9	136.8	-167	-53	0	0	0	0	117
84	A	31.8	Very low	35.5	Very low	92 Å²	92	128.9 Å²	128.9	76%	0.76	81%	0.814	S	S	*	*			trans	-156.3	154	138.4	0	0	0	0	0	109.9
85	P	40.6	Very low	36.7	Very low	125 Å²	125	132.3 Å²	132.3	81%	0.812	81%	0.805	S	S	*	*			trans	-91.9	129.6	-152.5	32.9	-35.5	0	0	0	116.6	F87	P85-F87 PolarHBondContact O-N 3.48Å
86	L	32.7	Very low	37.5	Very low	141 Å²	141	138.6 Å²	138.6	74%	0.738	81%	0.811	S	S	*	*			trans	-92.5	76.3	175.2	-102.3	167.5	0	0	0	112.9	A88 L89	L86-A88 VanDerWaalsContact C-N 3.28Å; L86-L89 HydrophobicContact CD2-CD1 4.07Å; L86-L89 HydrophobicContact CD2-CG 4.22Å
87	F	46.8	Very low	38.1	Very low	213 Å²	213	144.8 Å²	144.8	93%	0.934	82%	0.817	S	S	*	*			trans	-90.3	15.7	169.9	-125.1	-76.7	0	0	0	113.5	P85	P85-F87 PolarHBondContact O-N 3.48Å
88	A	44	Very low	38.7	Very low	84 Å²	84	146.7 Å²	146.7	69%	0.694	82%	0.817	S	S	*	*			trans	-119.2	11.2	-160.7	0	0	0	0	0	116	L86	L86-A88 VanDerWaalsContact C-N 3.28Å
89	L	39.6	Very low	39.4	Very low	143 Å²	143	146.6 Å²	146.6	75%	0.749	81%	0.812	S	S	*	*			trans	-131.7	89.2	178.2	-70.9	177	0	0	0	112.5	L86	L86-L89 HydrophobicContact CD2-CD1 4.07Å; L86-L89 HydrophobicContact CD2-CG 4.22Å
90	L	37.8	Very low	40.2	Very low	161 Å²	161	148.2 Å²	148.2	84%	0.843	81%	0.81	S	S	*	*			trans	-170.9	146.9	148.1	-106.9	169.5	0	0	0	111.9
91	S	38.4	Very low	40.7	Very low	97 Å²	97	151.7 Å²	151.7	68%	0.678	81%	0.808	S	S	*	*			trans	-91.3	168.6	-160.7	61.4	0	0	0	0	115.5	G93	S91-G93 VanDerWaalsContact C-N 3.32Å; S91-G93 PolarHBondContact O-N 3.27Å; S91-G93 VanDerWaalsContact O-N 3.16Å
92	R	49.5	Very low	41.1	Very low	220 Å²	220	157 Å²	157	83%	0.83	81%	0.805	S	S	*	*	G	3₁₀ helix	trans	-67.9	-13.9	-162.6	-87.9	177.1	164.3	154.5	-5.4	116.6	R94 R95	R92-R94 PolarHBondContact O-N 3.1Å; R92-R95 PolarHBondContact O-N 3.17Å
93	G	48	Very low	41.7	Very low	79 Å²	79	163.4 Å²	163.4	81%	0.814	81%	0.806	S	S	*	*	G	3₁₀ helix	trans	-63.1	-30	-174.2	0	0	0	0	0	116	S91	S91-G93 VanDerWaalsContact C-N 3.32Å; S91-G93 PolarHBondContact O-N 3.27Å; S91-G93 VanDerWaalsContact O-N 3.16Å
94	R	49.4	Very low	42.3	Very low	219 Å²	219	168 Å²	168	83%	0.826	81%	0.805	S	S	*	*	G	3₁₀ helix	trans	-90	4.1	-177	-82	-174.7	173.5	-179.3	-1.6	115.5	R92 R96	R92-R94 PolarHBondContact O-N 3.1Å; R94-R96 PolarHBondContact O-N 3.16Å
95	R	53.3	Low	42.5	Very low	177 Å²	177	174.6 Å²	174.6	67%	0.668	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.4	-2.6	-171.1	-63.8	-165.6	-174.4	-159.3	2.3	116.8	R92	R92-R95 PolarHBondContact O-N 3.17Å
96	R	44.8	Very low	42.5	Very low	245 Å²	245	174.6 Å²	174.6	93%	0.925	80%	0.803	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	-4.2	176.2	-79.4	-169.5	175	-170.9	-1.5	116.5	R94	R94-R96 PolarHBondContact O-N 3.16Å
97	R	43.5	Very low	43.2	Very low	240 Å²	240	174.5 Å²	174.5	91%	0.906	80%	0.803	S	S	*	*	S	Bend	trans	-101.3	12.5	171.7	-104.7	-173.9	-171.3	-174.2	4.8	114.7
98	M	39.8	Very low	43.4	Very low	140 Å²	140	165.8 Å²	165.8	69%	0.69	77%	0.773	S	S	*	*	S	Bend	trans	-119.8	17.2	-177.9	-155.6	173.1	-79	0	0	114
99	H	42.1	Very low	43.8	Very low	167 Å²	167	165.1 Å²	165.1	77%	0.773	76%	0.763	S	S	*	*	S	Bend	trans	-104.6	-9.4	174	-97	-85.8	0	0	0	114.7
100	V	43.8	Very low	44.3	Very low	135 Å²	135	163.8 Å²	163.8	82%	0.818	76%	0.756	S	S	*	*	S	Bend	trans	-102	-21.4	177.1	-177.6	0	0	0	0	112.1
101	L	36.6	Very low	44.7	Very low	159 Å²	159	159.9 Å²	159.9	83%	0.832	74%	0.741	S	S	*	*	S	Bend	trans	-98.6	34.8	177.2	-76.6	166.5	0	0	0	113.4
102	R	38.9	Very low	45.3	Very low	220 Å²	220	164 Å²	164	83%	0.83	74%	0.742	S	S	*	*			trans	-128.5	38.8	173.5	-153.9	178.4	-179	-175.1	-0.5	113
103	R	43.9	Very low	45.4	Very low	240 Å²	240	157.1 Å²	157.1	91%	0.906	72%	0.724	S	S	*	*	S	Bend	trans	-139.5	50.3	168.6	-77.6	-160.5	-178.6	-166.4	4.4	112.4
104	R	42.7	Very low	45.6	Very low	231 Å²	231	159.7 Å²	159.7	87%	0.872	72%	0.719	S	S	*	*	S	Bend	trans	-168.2	169.8	160.1	-110.7	165.7	177.3	170.7	-1.8	108.2
105	W	36.6	Very low	45.6	Very low	230 Å²	230	154.4 Å²	154.4	87%	0.871	71%	0.706	S	S	*	*			trans	70.8	76.2	-171	-55.2	96.5	0	0	0	114.3
106	D	41.1	Very low	45.6	Very low	125 Å²	125	150.5 Å²	150.5	67%	0.668	70%	0.702	S	S	*	*			trans	-85.3	116.6	164.2	175.9	15.2	0	0	0	110	G108	D106-G108 PolarHBondContact O-N 3.26Å; D106-G108 WeakPolarHBondContact OD1-CA 3.44Å; D106-G108 PolarHBondContact OD1-N 3.4Å
107	L	47.8	Very low	45.8	Very low	140 Å²	140	148.5 Å²	148.5	73%	0.733	70%	0.695	S	S	*	*	H	α-helix	trans	-69.8	-14.7	176.9	-93	69.2	0	0	0	112.9	S109	L107-S109 PolarHBondContact O-N 3.19Å
108	G	49	Very low	46	Very low	29 Å²	29	139 Å²	139	30%	0.299	67%	0.672	S	S	.	*	H	α-helix	trans	-66.7	-8.6	176.6	0	0	0	0	0	115.1	D106 R112	D106-G108 PolarHBondContact O-N 3.26Å; D106-G108 WeakPolarHBondContact OD1-CA 3.44Å; D106-G108 PolarHBondContact OD1-N 3.4Å; G108-R112 WeakPolarHBondContact O-CD 3.3Å; G108-R112 WeakPolarHBondContact O-CG 3.36Å; G108-R112 PolarHBondContact O-NE 3.39Å
109	S	52.7	Low	46.4	Very low	70 Å²	70	138 Å²	138	49%	0.49	67%	0.668	S	S	.	*	H	α-helix	trans	-89.1	-54	176.7	-176.6	0	0	0	0	112.9	L107 C111 R112 V113	L107-S109 PolarHBondContact O-N 3.19Å; S109-C111 VanDerWaalsContact C-N 3.3Å; S109-C111 PolarHBondContact O-N 3.46Å; S109-R112 WeakPolarHBondContact O-CB 3.47Å; S109-R112 PolarHBondContact O-N 3.01Å; S109-V113 PolarHBondContact O-N 3.37Å
110	L	50.8	Low	46.7	Very low	116 Å²	116	133.1 Å²	133.1	61%	0.607	66%	0.657	S	S	*	*	H	α-helix	trans	-61.4	-35.2	-175.5	-82.2	163.2	0	0	0	113.3	R112 V113 L114	L110-R112 VanDerWaalsContact C-N 3.32Å; L110-R112 PolarHBondContact O-N 3Å; L110-V113 PolarHBondContact O-N 2.99Å; L110-L114 PolarHBondContact O-N 3.11Å
111	C	46	Very low	47	Very low	78 Å²	78	130.3 Å²	130.3	53%	0.527	65%	0.648	S	S	.	*	H	α-helix	trans	-65.4	-34.3	176.5	-167.3	0	0	0	0	112.4	S109 L115	S109-C111 VanDerWaalsContact C-N 3.3Å; S109-C111 PolarHBondContact O-N 3.46Å; C111-L115 PolarHBondContact O-N 3.45Å; C111-L115 VanDerWaalsContact O-N 3.17Å
112	R	51.9	Low	47.5	Very low	184 Å²	184	128.6 Å²	128.6	69%	0.694	64%	0.639	S	S	*	*	H	α-helix	trans	-69.3	-40.8	176.5	-63.9	177.8	-159.1	-113.5	2.7	111.9	G108 S109 L110 L114 L115 T116	G108-R112 WeakPolarHBondContact O-CD 3.3Å; G108-R112 WeakPolarHBondContact O-CG 3.36Å; G108-R112 PolarHBondContact O-NE 3.39Å; S109-R112 WeakPolarHBondContact O-CB 3.47Å; S109-R112 PolarHBondContact O-N 3.01Å; L110-R112 VanDerWaalsContact C-N 3.32Å; L110-R112 PolarHBondContact O-N 3Å; R112-L114 VanDerWaalsContact C-N 3.32Å; R112-L114 PolarHBondContact O-N 3.48Å; R112-L115 PolarHBondContact O-N 3.15Å; R112-T116 WeakPolarHBondContact O-CG2 3.4Å; R112-T116 PolarHBondContact O-N 3.02Å; R112-T116 PolarHBondContact O-OG1 3.46Å; R112-T116 VanDerWaalsContact O-OG1 3.06Å
113	V	50.9	Low	47.9	Very low	75 Å²	75	119.7 Å²	119.7	46%	0.455	62%	0.615	S	S	.	*	H	α-helix	trans	-65.3	-34.1	-179.6	177.8	0	0	0	0	112.2	S109 L110 T116 R117	S109-V113 PolarHBondContact O-N 3.37Å; L110-V113 PolarHBondContact O-N 2.99Å; V113-T116 PolarHBondContact O-OG1 2.96Å; V113-R117 PolarHBondContact O-N 3.34Å
114	L	51.3	Low	48.1	Very low	134 Å²	134	114.4 Å²	114.4	70%	0.702	60%	0.601	S	S	*	*	H	α-helix	trans	-74.5	-41.6	175.3	-69.5	170	0	0	0	112.2	L110 R112 G118	L110-L114 PolarHBondContact O-N 3.11Å; R112-L114 VanDerWaalsContact C-N 3.32Å; R112-L114 PolarHBondContact O-N 3.48Å; L114-G118 PolarHBondContact O-N 3.36Å; L114-G118 VanDerWaalsContact O-N 3.11Å
115	L	51.1	Low	48.6	Very low	107 Å²	107	107.3 Å²	107.3	56%	0.56	59%	0.586	S	S	*	*	H	α-helix	trans	-65.7	-40.7	177.2	-81	165.2	0	0	0	113	C111 R112 L119	C111-L115 PolarHBondContact O-N 3.45Å; C111-L115 VanDerWaalsContact O-N 3.17Å; R112-L115 PolarHBondContact O-N 3.15Å; L115-L119 WeakPolarHBondContact O-CG 3.49Å; L115-L119 PolarHBondContact O-N 3.07Å
116	T	52.2	Low	49.2	Very low	95 Å²	95	101.2 Å²	101.2	58%	0.583	57%	0.57	S	S	*	*	H	α-helix	trans	-69.5	-35.5	180	53	0	0	0	0	113	R112 V113 A120	R112-T116 WeakPolarHBondContact O-CG2 3.4Å; R112-T116 PolarHBondContact O-N 3.02Å; R112-T116 PolarHBondContact O-OG1 3.46Å; R112-T116 VanDerWaalsContact O-OG1 3.06Å; V113-T116 PolarHBondContact O-OG1 2.96Å; T116-A120 PolarHBondContact O-N 2.81Å
117	R	48.5	Very low	49.7	Very low	204 Å²	204	102.5 Å²	102.5	77%	0.77	57%	0.57	S	S	*	*	H	α-helix	trans	-75.1	-34.4	176.3	-81	-174.2	149.5	170.6	-6.9	113.5	V113	V113-R117 PolarHBondContact O-N 3.34Å
118	G	49	Very low	49.9	Very low	41 Å²	41	102.5 Å²	102.5	42%	0.423	57%	0.566	S	S	.	*	H	α-helix	trans	-65.7	-42.7	175.3	0	0	0	0	0	113.5	L114 A120	L114-G118 PolarHBondContact O-N 3.36Å; L114-G118 VanDerWaalsContact O-N 3.11Å; G118-A120 PolarHBondContact O-N 3.12Å
119	L	47.9	Very low	50.3	Low	119 Å²	119	104.8 Å²	104.8	62%	0.623	57%	0.574	S	S	*	*	H	α-helix	trans	-71.2	-27.9	-177.9	-73.1	168.5	0	0	0	113.7	L115 G123	L115-L119 WeakPolarHBondContact O-CG 3.49Å; L115-L119 PolarHBondContact O-N 3.07Å; L119-G123 PolarHBondContact O-N 3.4Å
120	A	48.9	Very low	50.4	Low	64 Å²	64	106.2 Å²	106.2	53%	0.529	58%	0.576	S	S	.	*	H	α-helix	trans	-64.3	-40.5	178.2	0	0	0	0	0	112.9	T116 G118 G123	T116-A120 PolarHBondContact O-N 2.81Å; G118-A120 PolarHBondContact O-N 3.12Å; A120-G123 PolarHBondContact O-N 3.2Å
121	A	49.1	Very low	50.5	Low	76 Å²	76	102.4 Å²	102.4	63%	0.628	56%	0.564	S	S	*	*	H	α-helix	trans	-67.8	-43	179.8	0	0	0	0	0	112.4
122	L	46.6	Very low	50.9	Low	123 Å²	123	101.5 Å²	101.5	64%	0.644	56%	0.562	S	S	*	*	H	α-helix	trans	-66.2	-36.9	175.6	-74.7	165	0	0	0	112.1	H124 S125 L126	L122-H124 VanDerWaalsContact C-N 3.32Å; L122-H124 PolarHBondContact O-N 2.86Å; L122-S125 PolarHBondContact O-N 3.31Å; L122-L126 WeakPolarHBondContact O-CB 3.42Å; L122-L126 PolarHBondContact O-N 3.33Å
123	G	48.4	Very low	51.2	Low	33 Å²	33	96.7 Å²	96.7	34%	0.34	55%	0.549	S	S	.	.	H	α-helix	trans	-62.5	-30.7	-178.4	0	0	0	0	0	115	L119 A120 K127	L119-G123 PolarHBondContact O-N 3.4Å; A120-G123 PolarHBondContact O-N 3.2Å; G123-K127 WeakPolarHBondContact O-CG 3.46Å; G123-K127 PolarHBondContact O-N 3.41Å
124	H	48.6	Very low	51.5	Low	129 Å²	129	98.1 Å²	98.1	60%	0.597	55%	0.55	S	S	*	.	H	α-helix	trans	-76.1	-47.9	176.5	-103.5	-97.1	0	0	0	112.6	L122 L126 K127 H128	L122-H124 VanDerWaalsContact C-N 3.32Å; L122-H124 PolarHBondContact O-N 2.86Å; H124-L126 PolarHBondContact O-N 3.14Å; H124-K127 PolarHBondContact O-N 3.19Å; H124-H128 PolarHBondContact O-CD2 3.12Å
125	S	51.5	Low	51.6	Low	81 Å²	81	96 Å²	96	57%	0.566	55%	0.546	S	S	*	.	H	α-helix	trans	-63	-43.9	179.4	-172.4	0	0	0	0	111.6	L122 K127 H128 V129	L122-S125 PolarHBondContact O-N 3.31Å; S125-K127 VanDerWaalsContact C-N 3.32Å; S125-K127 PolarHBondContact O-N 3.22Å; S125-H128 PolarHBondContact O-N 3.14Å; S125-V129 PolarHBondContact O-N 3.22Å
126	L	49.3	Very low	52	Low	103 Å²	103	99.6 Å²	99.6	54%	0.539	56%	0.557	S	S	.	*	H	α-helix	trans	-65.6	-31.9	-178.9	-161.3	71.6	0	0	0	113	L122 H124 V129 L130	L122-L126 WeakPolarHBondContact O-CB 3.42Å; L122-L126 PolarHBondContact O-N 3.33Å; H124-L126 PolarHBondContact O-N 3.14Å; L126-V129 PolarHBondContact O-N 3.21Å; L126-L130 HydrophobicContact CD2-CD1 4.14Å; L126-L130 HydrophobicContact CG-CD1 3.85Å; L126-L130 HydrophobicContact CG-CG 4.22Å; L126-L130 VanDerWaalsContact O-CB 3.32Å; L126-L130 WeakPolarHBondContact O-CB 3.41Å; L126-L130 WeakPolarHBondContact O-CG 3.37Å; L126-L130 PolarHBondContact O-N 3.26Å
127	K	51.8	Low	52.1	Low	152 Å²	152	100 Å²	100	66%	0.661	56%	0.555	S	S	*	*	H	α-helix	trans	-61.4	-44.5	174.6	-88.4	179.5	175.8	-176.7	0	112.7	G123 H124 S125 G131	G123-K127 WeakPolarHBondContact O-CG 3.46Å; G123-K127 PolarHBondContact O-N 3.41Å; H124-K127 PolarHBondContact O-N 3.19Å; S125-K127 VanDerWaalsContact C-N 3.32Å; S125-K127 PolarHBondContact O-N 3.22Å; K127-G131 PolarHBondContact O-N 3.2Å
128	H	51.5	Low	52.3	Low	140 Å²	140	95.2 Å²	95.2	65%	0.648	54%	0.539	S	S	*	.	H	α-helix	trans	-69.5	-40.1	179.5	-74	-79.5	0	0	0	111.9	H124 S125 A132	H124-H128 PolarHBondContact O-CD2 3.12Å; S125-H128 PolarHBondContact O-N 3.14Å; H128-A132 WeakPolarHBondContact O-CB 3.41Å; H128-A132 PolarHBondContact O-N 3.18Å
129	V	57.3	Low	52.4	Low	77 Å²	77	95.6 Å²	95.6	47%	0.467	54%	0.543	S	S	.	.	H	α-helix	trans	-64.7	-48.6	176.3	175.9	0	0	0	0	111.3	S125 L126 G131 A132 I133	S125-V129 PolarHBondContact O-N 3.22Å; L126-V129 PolarHBondContact O-N 3.21Å; V129-G131 PolarHBondContact O-N 3.05Å; V129-A132 PolarHBondContact O-N 3.47Å; V129-I133 HydrophobicContact CG1-CD1 3.85Å; V129-I133 VanDerWaalsContact O-CG1 3.3Å; V129-I133 WeakPolarHBondContact O-CG1 3.36Å; V129-I133 PolarHBondContact O-N 3.37Å
130	L	55.8	Low	52.5	Low	100 Å²	100	95 Å²	95	52%	0.524	55%	0.547	S	S	.	.	H	α-helix	trans	-65.3	-38.5	177.9	-71.8	173.2	0	0	0	112.2	L126 I133 F134	L126-L130 HydrophobicContact CD2-CD1 4.14Å; L126-L130 HydrophobicContact CG-CD1 3.85Å; L126-L130 HydrophobicContact CG-CG 4.22Å; L126-L130 VanDerWaalsContact O-CB 3.32Å; L126-L130 WeakPolarHBondContact O-CB 3.41Å; L126-L130 WeakPolarHBondContact O-CG 3.37Å; L126-L130 PolarHBondContact O-N 3.26Å; L130-I133 PolarHBondContact O-N 3.17Å; L130-F134 WeakPolarHBondContact O-CB 3.27Å; L130-F134 PolarHBondContact O-N 3.43Å
131	G	52.2	Low	52.5	Low	36 Å²	36	98.2 Å²	98.2	37%	0.371	55%	0.554	S	S	.	*	H	α-helix	trans	-61.8	-45.2	175.1	0	0	0	0	0	112.8	K127 V129 I133 F134 S135	K127-G131 PolarHBondContact O-N 3.2Å; V129-G131 PolarHBondContact O-N 3.05Å; G131-I133 VanDerWaalsContact C-N 3.32Å; G131-I133 PolarHBondContact O-N 3.35Å; G131-F134 PolarHBondContact O-N 3.14Å; G131-S135 PolarHBondContact O-N 3.3Å; G131-S135 PolarHBondContact O-OG 2.98Å
132	A	55.6	Low	52.3	Low	58 Å²	58	99.2 Å²	99.2	48%	0.479	56%	0.563	S	S	.	*	H	α-helix	trans	-64.3	-35.1	176.6	0	0	0	0	0	112.8	H128 V129 K136	H128-A132 WeakPolarHBondContact O-CB 3.41Å; H128-A132 PolarHBondContact O-N 3.18Å; V129-A132 PolarHBondContact O-N 3.47Å; A132-K136 WeakPolarHBondContact O-CG 3.41Å; A132-K136 PolarHBondContact O-N 3.43Å
133	I	58.8	Low	52.5	Low	83 Å²	83	98.6 Å²	98.6	43%	0.426	57%	0.568	S	S	.	*	H	α-helix	trans	-69.7	-44	173.7	-69.4	167.2	0	0	0	110.8	V129 L130 G131 K136 I137	V129-I133 HydrophobicContact CG1-CD1 3.85Å; V129-I133 VanDerWaalsContact O-CG1 3.3Å; V129-I133 WeakPolarHBondContact O-CG1 3.36Å; V129-I133 PolarHBondContact O-N 3.37Å; L130-I133 PolarHBondContact O-N 3.17Å; G131-I133 VanDerWaalsContact C-N 3.32Å; G131-I133 PolarHBondContact O-N 3.35Å; I133-K136 PolarHBondContact O-N 3.11Å; I133-I137 HydrophobicContact CG2-CD1 3.6Å; I133-I137 HydrophobicContact CG2-CG1 4.35Å; I133-I137 WeakPolarHBondContact O-CG1 3.43Å; I133-I137 PolarHBondContact O-N 3.01Å
134	F	56.3	Low	52.3	Low	106 Å²	106	103.7 Å²	103.7	47%	0.465	59%	0.593	S	S	.	*	H	α-helix	trans	-62.5	-46.7	-178.4	-155.3	-89	0	0	0	111.6	L130 G131 K136 I137 F138	L130-F134 WeakPolarHBondContact O-CB 3.27Å; L130-F134 PolarHBondContact O-N 3.43Å; G131-F134 PolarHBondContact O-N 3.14Å; F134-K136 VanDerWaalsContact C-N 3.29Å; F134-K136 PolarHBondContact O-N 3.32Å; F134-I137 PolarHBondContact O-N 3.27Å; F134-F138 AromaticContact CD1-CD2 3.82Å; F134-F138 HydrophobicContact CD1-CD2 3.82Å; F134-F138 HydrophobicContact CD1-CG 4.47Å; F134-F138 AromaticContact CD2-CD2 3.82Å; F134-F138 HydrophobicContact CD2-CD2 3.82Å; F134-F138 AromaticContact CD2-CE2 3.8Å; F134-F138 HydrophobicContact CD2-CE2 3.8Å; F134-F138 HydrophobicContact CE1-CB 4.37Å; F134-F138 AromaticContact CE1-CD2 3.72Å; F134-F138 HydrophobicContact CE1-CD2 3.72Å; F134-F138 HydrophobicContact CE1-CE2 4.32Å; F134-F138 HydrophobicContact CE1-CG 4.16Å; F134-F138 AromaticContact CE2-CD2 3.73Å; F134-F138 HydrophobicContact CE2-CD2 3.73Å; F134-F138 AromaticContact CE2-CE2 3.51Å; F134-F138 HydrophobicContact CE2-CE2 3.51Å; F134-F138 HydrophobicContact CE2-CZ 4.38Å; F134-F138 AromaticContact CG-CD2 3.87Å; F134-F138 HydrophobicContact CG-CD2 3.87Å; F134-F138 HydrophobicContact CG-CE2 4.32Å; F134-F138 AromaticContact CZ-CD2 3.68Å; F134-F138 HydrophobicContact CZ-CD2 3.68Å; F134-F138 AromaticContact CZ-CE2 3.8Å; F134-F138 HydrophobicContact CZ-CE2 3.8Å; F134-F138 HydrophobicContact CZ-CG 4.3Å; F134-F138 PolarHBondContact O-N 3.45Å
135	S	54.2	Low	52	Low	89 Å²	89	100.5 Å²	100.5	62%	0.622	60%	0.595	S	S	*	*	H	α-helix	trans	-64	-31.3	176.2	-61.4	0	0	0	0	113.3	G131 G139	G131-S135 PolarHBondContact O-N 3.3Å; G131-S135 PolarHBondContact O-OG 2.98Å; S135-G139 WeakPolarHBondContact O-CA 3.42Å; S135-G139 PolarHBondContact O-N 3.29Å
136	K	58	Low	51.9	Low	182 Å²	182	105 Å²	105	79%	0.791	61%	0.612	S	S	*	*	H	α-helix	trans	-76.5	-32.3	175.9	-79.8	-171.2	173.9	-172.2	0	113.9	A132 I133 F134	A132-K136 WeakPolarHBondContact O-CG 3.41Å; A132-K136 PolarHBondContact O-N 3.43Å; I133-K136 PolarHBondContact O-N 3.11Å; F134-K136 VanDerWaalsContact C-N 3.29Å; F134-K136 PolarHBondContact O-N 3.32Å
137	I	55.5	Low	51.9	Low	104 Å²	104	107.1 Å²	107.1	53%	0.533	62%	0.622	S	S	.	*	H	α-helix	trans	-85.5	-41.3	-178.3	-68	177.1	0	0	0	111.8	I133 F134	I133-I137 HydrophobicContact CG2-CD1 3.6Å; I133-I137 HydrophobicContact CG2-CG1 4.35Å; I133-I137 WeakPolarHBondContact O-CG1 3.43Å; I133-I137 PolarHBondContact O-N 3.01Å; F134-I137 PolarHBondContact O-N 3.27Å
138	F	51.6	Low	52.5	Low	103 Å²	103	104.1 Å²	104.1	45%	0.452	61%	0.613	S	S	.	*	H	α-helix	trans	-97.6	-14.5	-174.3	-67.7	-78.7	0	0	0	114.6	F134 P140 L141	F134-F138 AromaticContact CD1-CD2 3.82Å; F134-F138 HydrophobicContact CD1-CD2 3.82Å; F134-F138 HydrophobicContact CD1-CG 4.47Å; F134-F138 AromaticContact CD2-CD2 3.82Å; F134-F138 HydrophobicContact CD2-CD2 3.82Å; F134-F138 AromaticContact CD2-CE2 3.8Å; F134-F138 HydrophobicContact CD2-CE2 3.8Å; F134-F138 HydrophobicContact CE1-CB 4.37Å; F134-F138 AromaticContact CE1-CD2 3.72Å; F134-F138 HydrophobicContact CE1-CD2 3.72Å; F134-F138 HydrophobicContact CE1-CE2 4.32Å; F134-F138 HydrophobicContact CE1-CG 4.16Å; F134-F138 AromaticContact CE2-CD2 3.73Å; F134-F138 HydrophobicContact CE2-CD2 3.73Å; F134-F138 AromaticContact CE2-CE2 3.51Å; F134-F138 HydrophobicContact CE2-CE2 3.51Å; F134-F138 HydrophobicContact CE2-CZ 4.38Å; F134-F138 AromaticContact CG-CD2 3.87Å; F134-F138 HydrophobicContact CG-CD2 3.87Å; F134-F138 HydrophobicContact CG-CE2 4.32Å; F134-F138 AromaticContact CZ-CD2 3.68Å; F134-F138 HydrophobicContact CZ-CD2 3.68Å; F134-F138 AromaticContact CZ-CE2 3.8Å; F134-F138 HydrophobicContact CZ-CE2 3.8Å; F134-F138 HydrophobicContact CZ-CG 4.3Å; F134-F138 PolarHBondContact O-N 3.45Å; F138-P140 VanDerWaalsContact C-CD 3.49Å; F138-L141 PolarHBondContact O-N 3.22Å; F138-L141 VanDerWaalsContact O-N 3.14Å
139	G	51.3	Low	52.9	Low	49 Å²	49	103.7 Å²	103.7	51%	0.505	61%	0.611	S	S	.	*	G	3₁₀ helix	trans	-49.3	-42.9	178.9	0	0	0	0	0	115.5	S135 L141	S135-G139 WeakPolarHBondContact O-CA 3.42Å; S135-G139 PolarHBondContact O-N 3.29Å; G139-L141 VanDerWaalsContact C-N 3.31Å; G139-L141 PolarHBondContact O-N 3.43Å
140	P	50.5	Low	53	Low	106 Å²	106	107.6 Å²	107.6	69%	0.688	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-73.7	-11.2	-178.3	-20.9	34.4	0	0	0	116.1	F138	F138-P140 VanDerWaalsContact C-CD 3.49Å
141	L	49	Very low	53.2	Low	133 Å²	133	106.1 Å²	106.1	70%	0.696	62%	0.62	S	S	*	*	G	3₁₀ helix	trans	-94.4	0.2	-174	-83.7	122.9	0	0	0	114.5	F138 G139 S143	F138-L141 PolarHBondContact O-N 3.22Å; F138-L141 VanDerWaalsContact O-N 3.14Å; G139-L141 VanDerWaalsContact C-N 3.31Å; G139-L141 PolarHBondContact O-N 3.43Å; L141-S143 PolarHBondContact O-N 3.17Å
142	A	45.5	Very low	53.8	Low	97 Å²	97	108.7 Å²	108.7	80%	0.802	63%	0.625	S	S	*	*			trans	-78	39.5	179.1	0	0	0	0	0	114
143	S	50.6	Low	54.4	Low	109 Å²	109	111.9 Å²	111.9	76%	0.762	63%	0.628	S	S	*	*			trans	-145.4	45.6	-177.9	-157.7	0	0	0	0	114	L141	L141-S143 PolarHBondContact O-N 3.17Å
144	V	43.1	Very low	55.2	Low	140 Å²	140	113.1 Å²	113.1	85%	0.848	64%	0.635	S	S	*	*	S	Bend	trans	-142.9	128.1	164	-178.6	0	0	0	0	109.8
145	G	42.3	Very low	56.1	Low	63 Å²	63	113 Å²	113	65%	0.649	64%	0.638	S	S	*	*			trans	68.1	106.3	152.4	0	0	0	0	0	118	M147	G145-M147 PolarHBondContact O-N 2.95Å; G145-M147 VanDerWaalsContact O-N 3.08Å
146	N	50.4	Low	57.2	Low	174 Å²	174	112.8 Å²	112.8	93%	0.93	63%	0.63	S	S	*	*			trans	-65.2	104.5	168.4	-179.9	18.6	0	0	0	111.6
147	M	49.4	Very low	58.1	Low	149 Å²	149	106.9 Å²	106.9	73%	0.734	62%	0.615	S	S	*	*			trans	-141.2	149.7	168.1	-69.4	-163.3	77.5	0	0	111.2	G145 E149 N152	G145-M147 PolarHBondContact O-N 2.95Å; G145-M147 VanDerWaalsContact O-N 3.08Å; M147-E149 PolarHBondContact O-N 3.24Å; M147-N152 PolarHBondContact O-ND2 2.93Å
148	D	62.8	Low	59.4	Low	89 Å²	89	106.7 Å²	106.7	48%	0.476	62%	0.615	S	S	.	*			trans	-43.6	128	-165.5	-169.4	-22.4	0	0	0	114.6	K150 S151 N152	D148-K150 PolarHBondContact O-N 2.95Å; D148-K150 VanDerWaalsContact O-N 3.16Å; D148-K150 WeakPolarHBondContact OD1-CB 3.44Å; D148-K150 PolarHBondContact OD1-N 3.5Å; D148-S151 WeakPolarHBondContact O-CB 3.29Å; D148-S151 PolarHBondContact O-N 3.38Å; D148-N152 PolarHBondContact O-N 3.44Å
149	E	60	Low	61	Low	131 Å²	131	105 Å²	105	61%	0.612	61%	0.613	S	S	*	*	H	α-helix	trans	-56	-30.5	178.7	-156.9	-163.9	164.2	0	0	112.7	M147 K153	M147-E149 PolarHBondContact O-N 3.24Å; E149-K153 WeakPolarHBondContact O-CG 3.5Å; E149-K153 PolarHBondContact O-N 3.32Å; E149-K153 VanDerWaalsContact O-N 3.09Å; E149-K153 WeakPolarHBondContact OE1-CE 3.43Å; E149-K153 IonicContact OE1-NZ 2.68Å; E149-K153 PolarHBondContact OE1-NZ 3.01Å; E149-K153 IonicContact OE2-NZ 2.76Å
150	K	60.8	Low	62.3	Low	159 Å²	159	108.2 Å²	108.2	69%	0.691	62%	0.616	S	S	*	*	H	α-helix	trans	-65.6	-41.3	173.8	-67.6	170.5	-177.2	165.6	0	111.8	D148 K153 L154	D148-K150 PolarHBondContact O-N 2.95Å; D148-K150 VanDerWaalsContact O-N 3.16Å; D148-K150 WeakPolarHBondContact OD1-CB 3.44Å; D148-K150 PolarHBondContact OD1-N 3.5Å; K150-K153 PolarHBondContact O-N 2.94Å; K150-L154 WeakPolarHBondContact O-CB 3.19Å; K150-L154 PolarHBondContact O-N 3.35Å
151	S	59.5	Low	64.1	Low	68 Å²	68	108.6 Å²	108.6	48%	0.476	61%	0.611	S	S	.	*	H	α-helix	trans	-66.2	-41.1	179.3	-61	0	0	0	0	111.2	D148 L154 L155	D148-S151 WeakPolarHBondContact O-CB 3.29Å; D148-S151 PolarHBondContact O-N 3.38Å; S151-L154 PolarHBondContact O-N 3.43Å; S151-L155 VanDerWaalsContact O-CB 3.3Å; S151-L155 WeakPolarHBondContact O-CB 3.39Å; S151-L155 PolarHBondContact O-N 3.41Å
152	N	63.8	Low	65.7	Low	90 Å²	90	108.8 Å²	108.8	48%	0.481	61%	0.607	S	S	.	*	H	α-helix	trans	-65.2	-41.1	175	-77	-47.2	0	0	0	112.5	M147 D148 L155 L156	M147-N152 PolarHBondContact O-ND2 2.93Å; D148-N152 PolarHBondContact O-N 3.44Å; N152-L155 PolarHBondContact O-N 2.98Å; N152-L156 WeakPolarHBondContact O-CB 2.96Å; N152-L156 PolarHBondContact O-N 3.32Å
153	K	69.4	Low	67.4	Low	125 Å²	125	108.2 Å²	108.2	54%	0.543	59%	0.59	S	S	.	*	H	α-helix	trans	-65.8	-39.1	174.3	-72	170.5	-175.1	170.3	0	112.6	E149 K150 A157	E149-K153 WeakPolarHBondContact O-CG 3.5Å; E149-K153 PolarHBondContact O-N 3.32Å; E149-K153 VanDerWaalsContact O-N 3.09Å; E149-K153 WeakPolarHBondContact OE1-CE 3.43Å; E149-K153 IonicContact OE1-NZ 2.68Å; E149-K153 PolarHBondContact OE1-NZ 3.01Å; E149-K153 IonicContact OE2-NZ 2.76Å; K150-K153 PolarHBondContact O-N 2.94Å; K153-A157 WeakPolarHBondContact O-CB 3.39Å; K153-A157 PolarHBondContact O-N 3.01Å
154	L	74.9	Confident	68.8	Low	109 Å²	109	109.7 Å²	109.7	57%	0.571	58%	0.583	S	S	*	*	H	α-helix	trans	-66.5	-44.6	174.9	-179.4	61.7	0	0	0	111.9	K150 S151 A157 L158	K150-L154 WeakPolarHBondContact O-CB 3.19Å; K150-L154 PolarHBondContact O-N 3.35Å; S151-L154 PolarHBondContact O-N 3.43Å; L154-A157 PolarHBondContact O-N 2.94Å; L154-L158 HydrophobicContact CD1-CD1 4.42Å; L154-L158 HydrophobicContact CD1-CG 4.48Å; L154-L158 HydrophobicContact CG-CD1 4.18Å; L154-L158 WeakPolarHBondContact O-CG 3.3Å; L154-L158 PolarHBondContact O-N 3.13Å
155	L	75.3	Confident	70.4	Confident	103 Å²	103	105.1 Å²	105.1	54%	0.539	56%	0.56	S	S	.	*	H	α-helix	trans	-61.2	-45.3	176.9	-177.8	62.8	0	0	0	111.2	S151 N152 A157 L158 V159	S151-L155 VanDerWaalsContact O-CB 3.3Å; S151-L155 WeakPolarHBondContact O-CB 3.39Å; S151-L155 PolarHBondContact O-N 3.41Å; N152-L155 PolarHBondContact O-N 2.98Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 3.46Å; L155-L158 PolarHBondContact O-N 2.93Å; L155-V159 WeakPolarHBondContact O-CG2 3.27Å; L155-V159 PolarHBondContact O-N 3.3Å
156	L	76.4	Confident	72	Confident	86 Å²	86	105.2 Å²	105.2	45%	0.45	55%	0.548	S	S	.	.	H	α-helix	trans	-62.5	-40.2	176.4	-166.7	71.4	0	0	0	111.7	N152 V159 M160	N152-L156 WeakPolarHBondContact O-CB 2.96Å; N152-L156 PolarHBondContact O-N 3.32Å; L156-V159 PolarHBondContact O-N 2.88Å; L156-M160 WeakPolarHBondContact O-CB 3.17Å; L156-M160 VanDerWaalsContact O-CG 3.26Å; L156-M160 WeakPolarHBondContact O-CG 3.17Å; L156-M160 PolarHBondContact O-N 3.49Å
157	A	78.5	Confident	73.2	Confident	58 Å²	58	102.2 Å²	102.2	48%	0.479	53%	0.53	S	S	.	.	H	α-helix	trans	-63.9	-40.9	174.9	0	0	0	0	0	112.6	K153 L154 L155 M160 L161	K153-A157 WeakPolarHBondContact O-CB 3.39Å; K153-A157 PolarHBondContact O-N 3.01Å; L154-A157 PolarHBondContact O-N 2.94Å; L155-A157 VanDerWaalsContact C-N 3.34Å; L155-A157 PolarHBondContact O-N 3.46Å; A157-M160 PolarHBondContact O-N 3.27Å; A157-L161 WeakPolarHBondContact O-CB 3.43Å; A157-L161 PolarHBondContact O-N 3.32Å
158	L	83	Confident	74.4	Confident	99 Å²	99	98 Å²	98	52%	0.518	51%	0.513	S	S	.	.	H	α-helix	trans	-66.5	-40.8	175.7	-71.2	169.2	0	0	0	112.2	L154 L155 L161 F162	L154-L158 HydrophobicContact CD1-CD1 4.42Å; L154-L158 HydrophobicContact CD1-CG 4.48Å; L154-L158 HydrophobicContact CG-CD1 4.18Å; L154-L158 WeakPolarHBondContact O-CG 3.3Å; L154-L158 PolarHBondContact O-N 3.13Å; L155-L158 PolarHBondContact O-N 2.93Å; L158-L161 PolarHBondContact O-N 3.03Å; L158-F162 WeakPolarHBondContact O-CB 3.48Å; L158-F162 PolarHBondContact O-N 3.25Å
159	V	83.3	Confident	74.4	Confident	68 Å²	68	97.4 Å²	97.4	41%	0.412	51%	0.51	S	S	.	.	H	α-helix	trans	-63.5	-44.3	174.1	169.8	0	0	0	0	111	L155 L156 L161 F162 L163	L155-V159 WeakPolarHBondContact O-CG2 3.27Å; L155-V159 PolarHBondContact O-N 3.3Å; L156-V159 PolarHBondContact O-N 2.88Å; V159-L161 PolarHBondContact O-N 3.32Å; V159-F162 PolarHBondContact O-N 3.12Å; V159-L163 HydrophobicContact CG1-CD1 3.95Å; V159-L163 HydrophobicContact CG1-CG 4.43Å; V159-L163 WeakPolarHBondContact O-CB 3.25Å; V159-L163 WeakPolarHBondContact O-CG 3.45Å; V159-L163 PolarHBondContact O-N 3.01Å
160	M	80.7	Confident	74.8	Confident	116 Å²	116	98 Å²	98	57%	0.571	51%	0.513	S	S	*	.	H	α-helix	trans	-64.6	-38.3	176.3	-72.1	-66.2	-70.5	0	0	112.4	L156 A157 F164	L156-M160 WeakPolarHBondContact O-CB 3.17Å; L156-M160 VanDerWaalsContact O-CG 3.26Å; L156-M160 WeakPolarHBondContact O-CG 3.17Å; L156-M160 PolarHBondContact O-N 3.49Å; A157-M160 PolarHBondContact O-N 3.27Å; M160-F164 WeakPolarHBondContact O-CB 3.23Å; M160-F164 PolarHBondContact O-N 2.66Å
161	L	86.9	Confident	75	Confident	114 Å²	114	100.3 Å²	100.3	60%	0.597	52%	0.518	S	S	*	.	H	α-helix	trans	-65.2	-41.5	174.4	-172.7	69.9	0	0	0	111.7	A157 L158 V159 F164 A165	A157-L161 WeakPolarHBondContact O-CB 3.43Å; A157-L161 PolarHBondContact O-N 3.32Å; L158-L161 PolarHBondContact O-N 3.03Å; V159-L161 PolarHBondContact O-N 3.32Å; L161-F164 PolarHBondContact O-N 3.02Å; L161-A165 WeakPolarHBondContact O-CB 3.42Å; L161-A165 PolarHBondContact O-N 2.9Å
162	F	83.5	Confident	75.3	Confident	138 Å²	138	102.4 Å²	102.4	61%	0.605	53%	0.528	S	S	*	.	H	α-helix	trans	-64.4	-47	175.6	-179.9	-96.9	0	0	0	111.8	L158 V159 F164 A165 V166	L158-F162 WeakPolarHBondContact O-CB 3.48Å; L158-F162 PolarHBondContact O-N 3.25Å; V159-F162 PolarHBondContact O-N 3.12Å; F162-F164 VanDerWaalsContact C-N 3.34Å; F162-F164 PolarHBondContact O-N 3.13Å; F162-A165 PolarHBondContact O-N 3.4Å; F162-V166 HydrophobicContact CD1-CG2 4.2Å; F162-V166 HydrophobicContact CE1-CG2 3.81Å; F162-V166 HydrophobicContact CE2-CG2 4.41Å; F162-V166 HydrophobicContact CZ-CG2 3.93Å; F162-V166 WeakPolarHBondContact O-CG2 3.28Å; F162-V166 PolarHBondContact O-N 3.16Å
163	L	80	Confident	74.8	Confident	85 Å²	85	99.7 Å²	99.7	45%	0.445	52%	0.515	S	S	.	.	H	α-helix	trans	-61.4	-41.2	176.2	-71.2	171.2	0	0	0	111.8	V159 V166 I167	V159-L163 HydrophobicContact CG1-CD1 3.95Å; V159-L163 HydrophobicContact CG1-CG 4.43Å; V159-L163 WeakPolarHBondContact O-CB 3.25Å; V159-L163 WeakPolarHBondContact O-CG 3.45Å; V159-L163 PolarHBondContact O-N 3.01Å; L163-V166 PolarHBondContact O-N 2.94Å; L163-I167 VanDerWaalsContact O-CG1 3.27Å; L163-I167 WeakPolarHBondContact O-CG1 3.29Å; L163-I167 PolarHBondContact O-N 3.49Å
164	F	81	Confident	73.8	Confident	139 Å²	139	99.4 Å²	99.4	61%	0.61	53%	0.526	S	S	*	.	H	α-helix	trans	-61.8	-44.9	173.3	-179.1	-101.5	0	0	0	111.9	M160 L161 F162 V166 I167 V168	M160-F164 WeakPolarHBondContact O-CB 3.23Å; M160-F164 PolarHBondContact O-N 2.66Å; L161-F164 PolarHBondContact O-N 3.02Å; F162-F164 VanDerWaalsContact C-N 3.34Å; F162-F164 PolarHBondContact O-N 3.13Å; F164-V166 PolarHBondContact O-N 2.95Å; F164-I167 PolarHBondContact O-N 2.92Å; F164-V168 HydrophobicContact CD1-CG2 4.25Å; F164-V168 HydrophobicContact CE1-CG2 3.86Å; F164-V168 HydrophobicContact CE2-CG2 4.16Å; F164-V168 HydrophobicContact CZ-CG2 3.8Å; F164-V168 WeakPolarHBondContact O-CB 3.44Å; F164-V168 WeakPolarHBondContact O-CG2 3.38Å; F164-V168 PolarHBondContact O-N 3.29Å
165	A	76.6	Confident	72.5	Confident	44 Å²	44	96.7 Å²	96.7	36%	0.364	53%	0.525	S	S	.	.	H	α-helix	trans	-62	-40.7	176.3	0	0	0	0	0	112.4	L161 F162 V168 L169	L161-A165 WeakPolarHBondContact O-CB 3.42Å; L161-A165 PolarHBondContact O-N 2.9Å; F162-A165 PolarHBondContact O-N 3.4Å; A165-V168 PolarHBondContact O-N 2.91Å; A165-L169 VanDerWaalsContact O-CD1 3.27Å; A165-L169 WeakPolarHBondContact O-CD1 3.42Å; A165-L169 PolarHBondContact O-N 2.91Å
166	V	75.8	Confident	71.6	Confident	65 Å²	65	98.8 Å²	98.8	39%	0.394	54%	0.542	S	S	.	.	H	α-helix	trans	-63.7	-45.5	174.7	170.2	0	0	0	0	111.3	F162 L163 F164 V168 L169 Q170	F162-V166 HydrophobicContact CD1-CG2 4.2Å; F162-V166 HydrophobicContact CE1-CG2 3.81Å; F162-V166 HydrophobicContact CE2-CG2 4.41Å; F162-V166 HydrophobicContact CZ-CG2 3.93Å; F162-V166 WeakPolarHBondContact O-CG2 3.28Å; F162-V166 PolarHBondContact O-N 3.16Å; L163-V166 PolarHBondContact O-N 2.94Å; F164-V166 PolarHBondContact O-N 2.95Å; V166-V168 VanDerWaalsContact C-N 3.35Å; V166-V168 PolarHBondContact O-N 2.94Å; V166-L169 PolarHBondContact O-N 3.25Å; V166-Q170 WeakPolarHBondContact O-CB 3.32Å; V166-Q170 PolarHBondContact O-N 3.12Å
167	I	74.7	Confident	70.2	Confident	111 Å²	111	101.8 Å²	101.8	57%	0.569	55%	0.554	S	S	*	*	H	α-helix	trans	-62.3	-42.4	177.2	-69.3	164.5	0	0	0	110.9	L163 F164 Q170 Y171	L163-I167 VanDerWaalsContact O-CG1 3.27Å; L163-I167 WeakPolarHBondContact O-CG1 3.29Å; L163-I167 PolarHBondContact O-N 3.49Å; F164-I167 PolarHBondContact O-N 2.92Å; I167-Q170 PolarHBondContact O-N 2.92Å; I167-Y171 WeakPolarHBondContact O-CB 3.36Å; I167-Y171 PolarHBondContact O-N 2.77Å
168	V	74.5	Confident	69	Low	62 Å²	62	102.5 Å²	102.5	38%	0.376	55%	0.554	S	S	.	*	H	α-helix	trans	-64.3	-43.1	175.5	170.9	0	0	0	0	111.3	F164 A165 V166 Q170 Y171 V172	F164-V168 HydrophobicContact CD1-CG2 4.25Å; F164-V168 HydrophobicContact CE1-CG2 3.86Å; F164-V168 HydrophobicContact CE2-CG2 4.16Å; F164-V168 HydrophobicContact CZ-CG2 3.8Å; F164-V168 WeakPolarHBondContact O-CB 3.44Å; F164-V168 WeakPolarHBondContact O-CG2 3.38Å; F164-V168 PolarHBondContact O-N 3.29Å; A165-V168 PolarHBondContact O-N 2.91Å; V166-V168 VanDerWaalsContact C-N 3.35Å; V166-V168 PolarHBondContact O-N 2.94Å; V168-Q170 VanDerWaalsContact C-N 3.35Å; V168-Q170 PolarHBondContact O-N 3.02Å; V168-Y171 PolarHBondContact O-N 2.69Å; V168-V172 HydrophobicContact CG1-CG2 4.21Å; V168-V172 WeakPolarHBondContact O-CB 3.4Å; V168-V172 VanDerWaalsContact O-CG2 3.28Å; V168-V172 WeakPolarHBondContact O-CG2 3.3Å; V168-V172 PolarHBondContact O-N 2.73Å
169	L	64.3	Low	67.5	Low	76 Å²	76	103.5 Å²	103.5	40%	0.398	56%	0.556	S	S	.	*	H	α-helix	trans	-59.7	-44.9	172.7	-101.4	85.2	0	0	0	111.5	A165 V166 Y171 V172 C173 L180	A165-L169 VanDerWaalsContact O-CD1 3.27Å; A165-L169 WeakPolarHBondContact O-CD1 3.42Å; A165-L169 PolarHBondContact O-N 2.91Å; V166-L169 PolarHBondContact O-N 3.25Å; L169-Y171 VanDerWaalsContact C-N 3.26Å; L169-Y171 PolarHBondContact O-N 3.17Å; L169-V172 PolarHBondContact O-N 3.14Å; L169-C173 WeakPolarHBondContact O-CA 3.4Å; L169-C173 VanDerWaalsContact O-CB 3.22Å; L169-C173 WeakPolarHBondContact O-CB 3.2Å; L169-C173 PolarHBondContact O-N 3.08Å; L169-L180 HydrophobicContact CD2-CD2 4.14Å
170	Q	67.4	Low	65.7	Low	144 Å²	144	107 Å²	107	67%	0.673	57%	0.572	S	S	*	*	H	α-helix	trans	-63.5	-32.6	-179.2	-155.8	72	17	0	0	112.3	V166 I167 V168	V166-Q170 WeakPolarHBondContact O-CB 3.32Å; V166-Q170 PolarHBondContact O-N 3.12Å; I167-Q170 PolarHBondContact O-N 2.92Å; V168-Q170 VanDerWaalsContact C-N 3.35Å; V168-Q170 PolarHBondContact O-N 3.02Å
171	Y	65.3	Low	63.9	Low	206 Å²	206	109.5 Å²	109.5	81%	0.808	59%	0.587	S	S	*	*	H	α-helix	trans	-84.4	-29.1	179.5	-146.4	-89.7	0	0	0	113.3	I167 V168 L169	I167-Y171 WeakPolarHBondContact O-CB 3.36Å; I167-Y171 PolarHBondContact O-N 2.77Å; V168-Y171 PolarHBondContact O-N 2.69Å; L169-Y171 VanDerWaalsContact C-N 3.26Å; L169-Y171 PolarHBondContact O-N 3.17Å
172	V	66.1	Low	61.8	Low	112 Å²	112	111.4 Å²	111.4	68%	0.679	59%	0.586	S	S	*	*	H	α-helix	trans	-88	-25.9	177.4	175.1	0	0	0	0	112.2	V168 L169 P174	V168-V172 HydrophobicContact CG1-CG2 4.21Å; V168-V172 WeakPolarHBondContact O-CB 3.4Å; V168-V172 VanDerWaalsContact O-CG2 3.28Å; V168-V172 WeakPolarHBondContact O-CG2 3.3Å; V168-V172 PolarHBondContact O-N 2.73Å; L169-V172 PolarHBondContact O-N 3.14Å; V172-P174 WeakPolarHBondContact O-CD 3.46Å
173	C	53.1	Low	59.7	Low	33 Å²	33	112.9 Å²	112.9	22%	0.223	60%	0.599	C	S	.	*			trans	-113	67.4	174.8	-63.2	0	0	0	0	112.3	L169 G175 C178	L169-C173 WeakPolarHBondContact O-CA 3.4Å; L169-C173 VanDerWaalsContact O-CB 3.22Å; L169-C173 WeakPolarHBondContact O-CB 3.2Å; L169-C173 PolarHBondContact O-N 3.08Å; C173-G175 PolarHBondContact O-N 3.07Å; C173-C178 HydrophobicContact CB-CB 3.74Å; C173-C178 WeakPolarHBondContact CB-SG 3.39Å; C173-C178 WeakPolarHBondContact SG-CB 3.43Å; C173-C178 CovalentContact SG-SG 2.03Å; C173-C178 PolarHBondContact SG-SG 2.99Å
174	P	48.5	Very low	57.7	Low	119 Å²	119	117.5 Å²	117.5	77%	0.773	62%	0.619	S	S	*	*			trans	-75.5	62.8	174.1	34.1	-36.8	0	0	0	111.3	V172	V172-P174 WeakPolarHBondContact O-CD 3.46Å
175	G	48.5	Very low	55.5	Low	52 Å²	52	112.3 Å²	112.3	54%	0.536	60%	0.601	S	S	.	*	S	Bend	trans	169.6	154.3	-178.5	0	0	0	0	0	113	C173 E177	C173-G175 PolarHBondContact O-N 3.07Å; G175-E177 PolarHBondContact O-N 2.86Å
176	T	54.9	Low	53.6	Low	147 Å²	147	120.2 Å²	120.2	90%	0.902	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	28.9	-169.9	52.5	0	0	0	0	115.5
177	E	48.3	Very low	51.7	Low	150 Å²	150	122.1 Å²	122.1	70%	0.701	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.2	12.2	-169.6	-75	-65.1	162.6	0	0	114.8	G175 Q179	G175-E177 PolarHBondContact O-N 2.86Å; E177-Q179 PolarHBondContact O-N 3.33Å
178	C	52.3	Low	49.8	Very low	72 Å²	72	120.7 Å²	120.7	49%	0.486	64%	0.644	S	S	.	*			trans	-89.5	92.5	174.4	-79.2	0	0	0	0	112.3	C173 L180	C173-C178 HydrophobicContact CB-CB 3.74Å; C173-C178 WeakPolarHBondContact CB-SG 3.39Å; C173-C178 WeakPolarHBondContact SG-CB 3.43Å; C173-C178 CovalentContact SG-SG 2.03Å; C173-C178 PolarHBondContact SG-SG 2.99Å; C178-L180 PolarHBondContact O-N 2.87Å
179	Q	52.1	Low	48.7	Very low	120 Å²	120	122 Å²	122	56%	0.561	65%	0.654	S	S	*	*			trans	-71.7	38.3	-178.7	-58.4	-174.9	11.9	0	0	114.8	E177 L181 R182	E177-Q179 PolarHBondContact O-N 3.33Å; Q179-L181 VanDerWaalsContact C-N 3.31Å; Q179-L181 PolarHBondContact O-N 2.87Å; Q179-R182 VanDerWaalsContact O-CB 3.26Å; Q179-R182 WeakPolarHBondContact O-CB 3.39Å
180	L	45.2	Very low	48.1	Very low	141 Å²	141	125.2 Å²	125.2	74%	0.738	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.5	20.7	-171.8	-150	71.1	0	0	0	115.3	L169 C178	L169-L180 HydrophobicContact CD2-CD2 4.14Å; C178-L180 PolarHBondContact O-N 2.87Å
181	L	43.3	Very low	47.9	Very low	170 Å²	170	129.5 Å²	129.5	89%	0.89	69%	0.686	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	17.2	167.7	-106.5	164.7	0	0	0	112.5	Q179 L183	Q179-L181 VanDerWaalsContact C-N 3.31Å; Q179-L181 PolarHBondContact O-N 2.87Å; L181-L183 VanDerWaalsContact C-N 3.27Å; L181-L183 PolarHBondContact O-N 3.39Å
182	R	42.5	Very low	48.4	Very low	153 Å²	153	122.3 Å²	122.3	58%	0.577	66%	0.662	S	S	*	*			trans	-86.6	34.8	-165	-158.7	176.6	168.4	169	-7	115	Q179 Q184 A185	Q179-R182 VanDerWaalsContact O-CB 3.26Å; Q179-R182 WeakPolarHBondContact O-CB 3.39Å; R182-Q184 PolarHBondContact O-N 3.4Å; R182-A185 HydrophobicContact CG-CB 3.48Å; R182-A185 VanDerWaalsContact CG-CB 3.48Å; R182-A185 VanDerWaalsContact NE-CB 3.27Å; R182-A185 PolarHBondContact O-N 3Å
183	L	39.5	Very low	49	Very low	169 Å²	169	120.8 Å²	120.8	89%	0.885	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-12.4	174	-89.6	162.6	0	0	0	113.9	L181	L181-L183 VanDerWaalsContact C-N 3.27Å; L181-L183 PolarHBondContact O-N 3.39Å
184	Q	37.1	Very low	50.2	Low	183 Å²	183	120 Å²	120	86%	0.855	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	2.5	176.4	-101.6	-178.8	-11.8	0	0	115.6	R182	R182-Q184 PolarHBondContact O-N 3.4Å
185	A	36.4	Very low	51.6	Low	29 Å²	29	122.6 Å²	122.6	24%	0.24	64%	0.641	C	S	.	*			trans	-104.5	18.4	-164	0	0	0	0	0	118.1	R182 S187	R182-A185 HydrophobicContact CG-CB 3.48Å; R182-A185 VanDerWaalsContact CG-CB 3.48Å; R182-A185 VanDerWaalsContact NE-CB 3.27Å; R182-A185 PolarHBondContact O-N 3Å; A185-S187 PolarHBondContact O-N 3.48Å
186	F	34.9	Very low	52.7	Low	210 Å²	210	124 Å²	124	92%	0.921	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	2.2	170.8	-86.4	-78.5	0	0	0	114.6
187	S	37.3	Very low	53.8	Low	106 Å²	106	118.7 Å²	118.7	74%	0.741	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.2	5.7	-176.8	57.9	0	0	0	0	115.2	A185 P189	A185-S187 PolarHBondContact O-N 3.48Å; S187-P189 WeakPolarHBondContact O-CD 3.27Å
188	S	34.5	Very low	55.1	Low	81 Å²	81	113.5 Å²	113.5	57%	0.566	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-81.1	117.4	172.5	-76.7	0	0	0	0	110.8
189	P	51.3	Low	55.8	Low	90 Å²	90	116.7 Å²	116.7	58%	0.584	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-63.5	150	171	29.1	-34.4	0	0	0	110	S187 R191	S187-P189 WeakPolarHBondContact O-CD 3.27Å; P189-R191 PolarHBondContact O-N 2.93Å; P189-R191 VanDerWaalsContact O-N 3.15Å
190	V	50.8	Low	56.4	Low	142 Å²	142	114.5 Å²	114.5	86%	0.861	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-48.4	122.8	176.1	-179	0	0	0	0	109.4	D192	V190-D192 PolarHBondContact O-N 3.28Å
191	R	63.9	Low	57.3	Low	235 Å²	235	108.1 Å²	108.1	89%	0.887	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-61.8	122.4	176.8	-83.1	-173.5	173.4	-178.3	-1.7	108.4	P189 P193	P189-R191 PolarHBondContact O-N 2.93Å; P189-R191 VanDerWaalsContact O-N 3.15Å; R191-P193 WeakPolarHBondContact O-CD 3.48Å
192	D	76.1	Confident	58.1	Low	54 Å²	54	104.1 Å²	104.1	29%	0.289	55%	0.549	S	S	.	.			trans	-62.1	114.5	179.8	-172.6	-33.1	0	0	0	110.2	V190 Y194 R195 R543 H547	V190-D192 PolarHBondContact O-N 3.28Å; D192-Y194 PolarHBondContact O-N 3.44Å; D192-Y194 VanDerWaalsContact O-N 3.14Å; D192-Y194 PolarHBondContact OD1-N 3.13Å; D192-R195 HydrophobicContact CB-CB 4.45Å; D192-R195 PolarHBondContact O-N 3.49Å; D192-R543 VanDerWaalsContact CG-NH2 3.29Å; D192-R543 IonicContact OD1-CZ 3.23Å; D192-R543 IonicContact OD1-NH1 3.49Å; D192-R543 IonicContact OD1-NH2 2.91Å; D192-R543 PolarHBondContact OD1-NH2 3.07Å; D192-R543 IonicContact OD2-CZ 3.72Å; D192-R543 VanDerWaalsContact OD2-CZ 3.24Å; D192-R543 IonicContact OD2-NH1 3.83Å; D192-R543 PolarHBondContact OD2-NH1 2.95Å; D192-R543 IonicContact OD2-NH2 3.88Å; D192-R543 PolarHBondContact OD2-NH2 3.2Å; D192-H547 IonicContact OD2-CE1 2.65Å
193	P	77.8	Confident	59.5	Low	81 Å²	81	107.9 Å²	107.9	53%	0.526	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.8	-1.3	-173	33.3	-37	0	0	0	113.1	R191 R478	R191-P193 WeakPolarHBondContact O-CD 3.48Å; P193-R478 PolarHBondContact O-NH2 3.08Å
194	Y	80	Confident	61.6	Low	15 Å²	15	101.9 Å²	101.9	6%	0.059	53%	0.53	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	1.2	176.8	-63	-72.3	0	0	0	113.2	D192 S196 E197 R478 Q481 Y482 E485	D192-Y194 PolarHBondContact O-N 3.44Å; D192-Y194 VanDerWaalsContact O-N 3.14Å; D192-Y194 PolarHBondContact OD1-N 3.13Å; Y194-S196 VanDerWaalsContact C-N 3.26Å; Y194-S196 PolarHBondContact O-N 3.34Å; Y194-S196 VanDerWaalsContact O-N 3.14Å; Y194-E197 HydrophobicContact CD1-CG 4.43Å; Y194-E197 WeakPolarHBondContact O-CA 3.31Å; Y194-E197 VanDerWaalsContact O-CB 3.26Å; Y194-E197 WeakPolarHBondContact O-CB 3.4Å; Y194-E197 PolarHBondContact O-N 2.89Å; Y194-R478 HydrophobicContact CE1-CB 4.41Å; Y194-R478 VanDerWaalsContact CE1-NH1 3.35Å; Y194-R478 VanDerWaalsContact CE1-NH2 3.33Å; Y194-R478 VanDerWaalsContact CE1-O 3.28Å; Y194-R478 WeakPolarHBondContact CE1-O 3.44Å; Y194-Q481 WeakPolarHBondContact OH-CG 3.39Å; Y194-Q481 PolarHBondContact OH-NE2 2.75Å; Y194-Y482 AromaticContact CD2-CD2 3.52Å; Y194-Y482 HydrophobicContact CD2-CD2 3.52Å; Y194-Y482 HydrophobicContact CD2-CE2 4.29Å; Y194-Y482 HydrophobicContact CD2-CG 4.35Å; Y194-Y482 AromaticContact CE2-CD2 3.65Å; Y194-Y482 HydrophobicContact CE2-CD2 3.65Å; Y194-Y482 HydrophobicContact CE2-CG 4.36Å; Y194-Y482 AromaticContact CG-CD2 4Å; Y194-Y482 HydrophobicContact CG-CD2 4Å; Y194-Y482 HydrophobicContact CG-CG 4.48Å; Y194-E485 PolarHBondContact OH-OE2 2.89Å
195	R	76.1	Confident	63.9	Low	175 Å²	175	99 Å²	99	66%	0.66	52%	0.524	S	S	*	.	H	α-helix	trans	-55.2	-35	-177.9	-177	172.9	173.4	148.9	0.3	114.6	D192 E197 D198	D192-R195 HydrophobicContact CB-CB 4.45Å; D192-R195 PolarHBondContact O-N 3.49Å; R195-E197 VanDerWaalsContact C-N 3.27Å; R195-E197 PolarHBondContact O-N 3.32Å; R195-D198 PolarHBondContact O-N 2.95Å
196	S	72.8	Confident	66.5	Low	81 Å²	81	101 Å²	101	57%	0.566	54%	0.535	S	S	*	.	H	α-helix	trans	-68.5	-25	175.9	55.2	0	0	0	0	113.4	Y194 D198	Y194-S196 VanDerWaalsContact C-N 3.26Å; Y194-S196 PolarHBondContact O-N 3.34Å; Y194-S196 VanDerWaalsContact O-N 3.14Å; S196-D198 VanDerWaalsContact C-N 3.34Å
197	E	78.6	Confident	69.3	Low	36 Å²	36	99.8 Å²	99.8	17%	0.168	53%	0.525	C	S	.	.	H	α-helix	trans	-75.5	-26.2	177	-59.9	-65.4	140.1	0	0	111.6	Y194 R195 S200 S201 R478 K479 Y539	Y194-E197 HydrophobicContact CD1-CG 4.43Å; Y194-E197 WeakPolarHBondContact O-CA 3.31Å; Y194-E197 VanDerWaalsContact O-CB 3.26Å; Y194-E197 WeakPolarHBondContact O-CB 3.4Å; Y194-E197 PolarHBondContact O-N 2.89Å; R195-E197 VanDerWaalsContact C-N 3.27Å; R195-E197 PolarHBondContact O-N 3.32Å; E197-S200 PolarHBondContact O-OG 2.95Å; E197-S201 PolarHBondContact O-N 3.18Å; E197-S201 PolarHBondContact O-OG 2.75Å; E197-R478 HydrophobicContact CG-CB 3.85Å; E197-R478 WeakPolarHBondContact OE1-CB 3.44Å; E197-K479 HydrophobicContact CB-CG 4.21Å; E197-K479 HydrophobicContact CG-CG 4.39Å; E197-K479 WeakPolarHBondContact O-CE 3.06Å; E197-K479 PolarHBondContact O-NZ 3.35Å; E197-K479 WeakPolarHBondContact OE2-CG 3.45Å; E197-K479 IonicContact OE2-NZ 2.78Å; E197-K479 PolarHBondContact OE2-NZ 2.65Å; E197-Y539 WeakPolarHBondContact CB-OH 3.25Å
198	D	73.8	Confident	72.1	Confident	40 Å²	40	97.8 Å²	97.8	21%	0.214	50%	0.501	C	S	.	.	H	α-helix	trans	-70	-41.5	-179	-56.6	-36.3	0	0	0	111.7	R195 S196 S200 S201 A202 Y539 R543	R195-D198 PolarHBondContact O-N 2.95Å; S196-D198 VanDerWaalsContact C-N 3.34Å; D198-S200 VanDerWaalsContact C-N 3.34Å; D198-S200 PolarHBondContact O-N 3Å; D198-S201 CarbonylContact O-C 3.2Å; D198-S201 WeakPolarHBondContact O-CA 3.44Å; D198-S201 VanDerWaalsContact O-CB 3.31Å; D198-S201 WeakPolarHBondContact O-CB 3.4Å; D198-S201 PolarHBondContact O-N 2.96Å; D198-A202 PolarHBondContact O-N 2.98Å; D198-A202 VanDerWaalsContact O-N 3.11Å; D198-Y539 PolarHBondContact OD1-OH 3.01Å; D198-R543 IonicContact OD1-CZ 3.5Å; D198-R543 IonicContact OD1-NE 3.01Å; D198-R543 PolarHBondContact OD1-NE 3.31Å; D198-R543 IonicContact OD1-NH2 3.78Å; D198-R543 IonicContact OD2-CZ 3.85Å; D198-R543 IonicContact OD2-NE 3.24Å; D198-R543 PolarHBondContact OD2-NE 3.35Å; D198-R543 IonicContact OD2-NH2 3.66Å; D198-R543 PolarHBondContact OD2-NH2 3.19Å
199	E	67.8	Low	75	Confident	139 Å²	139	102 Å²	102	65%	0.65	52%	0.517	S	S	*	.	H	α-helix	trans	-61.1	-41.4	176.7	-68.9	177.9	176.4	0	0	111.8	S201 A202	E199-S201 PolarHBondContact O-N 3.32Å; E199-A202 PolarHBondContact O-N 3.01Å
200	S	64.6	Low	77.2	Confident	75 Å²	75	98.5 Å²	98.5	52%	0.524	49%	0.493	S	S	.	.	H	α-helix	trans	-64.1	-19.5	172.5	73.9	0	0	0	0	113.6	E197 D198 K479	E197-S200 PolarHBondContact O-OG 2.95Å; D198-S200 VanDerWaalsContact C-N 3.34Å; D198-S200 PolarHBondContact O-N 3Å; S200-K479 PolarHBondContact OG-NZ 3.39Å
201	S	63.8	Low	79.4	Confident	7 Å²	7	95.6 Å²	95.6	5%	0.049	48%	0.476	C	S	.	.	H	α-helix	trans	-94.9	-11	-179.3	-50.5	0	0	0	0	113.1	E197 D198 E199 R203 F204 K479 Q540	E197-S201 PolarHBondContact O-N 3.18Å; E197-S201 PolarHBondContact O-OG 2.75Å; D198-S201 CarbonylContact O-C 3.2Å; D198-S201 WeakPolarHBondContact O-CA 3.44Å; D198-S201 VanDerWaalsContact O-CB 3.31Å; D198-S201 WeakPolarHBondContact O-CB 3.4Å; D198-S201 PolarHBondContact O-N 2.96Å; E199-S201 PolarHBondContact O-N 3.32Å; S201-R203 VanDerWaalsContact C-N 3.26Å; S201-R203 PolarHBondContact O-N 3.22Å; S201-F204 PolarHBondContact O-N 2.89Å; S201-K479 WeakPolarHBondContact OG-CE 3.22Å; S201-Q540 PolarHBondContact O-NE2 2.79Å
202	A	61	Low	80.9	Confident	86 Å²	86	92.8 Å²	92.8	71%	0.711	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.6	-175.8	0	0	0	0	0	114	D198 E199	D198-A202 PolarHBondContact O-N 2.98Å; D198-A202 VanDerWaalsContact O-N 3.11Å; E199-A202 PolarHBondContact O-N 3.01Å
203	R	71.3	Confident	81.7	Confident	231 Å²	231	92.6 Å²	92.6	87%	0.872	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	3.1	177.5	-50.9	-175.8	-159.4	158.7	5.3	113.8	S201	S201-R203 VanDerWaalsContact C-N 3.26Å; S201-R203 PolarHBondContact O-N 3.22Å
204	F	83.1	Confident	82.6	Confident	44 Å²	44	89.4 Å²	89.4	19%	0.193	46%	0.455	C	S	.	.	P	Polyproline II helix	trans	-82.7	121.4	-178.3	164.9	-100.4	0	0	0	110.4	S201 P206 D533 L536 Q537	S201-F204 PolarHBondContact O-N 2.89Å; F204-P206 HydrophobicContact CE1-CG 4.24Å; F204-D533 HydrophobicContact CZ-CB 4.48Å; F204-D533 WeakPolarHBondContact CZ-OD1 3.32Å; F204-L536 HydrophobicContact CD1-CB 3.94Å; F204-L536 HydrophobicContact CD2-CB 3.99Å; F204-L536 HydrophobicContact CD2-CD1 3.48Å; F204-L536 VanDerWaalsContact CD2-CD1 3.48Å; F204-L536 HydrophobicContact CD2-CG 4.38Å; F204-L536 HydrophobicContact CE1-CB 3.7Å; F204-L536 HydrophobicContact CE2-CB 3.76Å; F204-L536 HydrophobicContact CE2-CD1 3.69Å; F204-L536 HydrophobicContact CE2-CG 4.35Å; F204-L536 HydrophobicContact CG-CB 4.06Å; F204-L536 HydrophobicContact CG-CD1 4.06Å; F204-L536 HydrophobicContact CZ-CB 3.59Å; F204-L536 HydrophobicContact CZ-CD1 4.4Å; F204-Q537 HydrophobicContact CE1-CG 3.69Å; F204-Q537 HydrophobicContact CZ-CG 3.96Å
205	V	86.3	Confident	83.4	Confident	121 Å²	121	89.5 Å²	89.5	73%	0.733	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-101.1	120.5	175.8	-178.1	0	0	0	0	108.8
206	P	91.1	Very high	84.3	Confident	72 Å²	72	83.6 Å²	83.6	47%	0.468	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-53.4	136.6	173	-32	39.3	0	0	0	113.5	F204 D533 Q537	F204-P206 HydrophobicContact CE1-CG 4.24Å; P206-D533 WeakPolarHBondContact CA-OD1 3.36Å; P206-Q537 HydrophobicContact CB-CG 4.42Å; P206-Q537 HydrophobicContact CG-CG 4.3Å
207	R	93.4	Very high	85.2	Confident	185 Å²	185	81.7 Å²	81.7	70%	0.698	42%	0.417	S	S	*	.			trans	-103	-37.4	174.2	-171.8	175.4	-175.7	-178.7	3.6	113.3	D533	R207-D533 PolarHBondContact N-OD1 3.37Å; R207-D533 PolarHBondContact N-OD2 3.38Å
208	Y	95.2	Very high	86	Confident	64 Å²	64	85.9 Å²	85.9	25%	0.251	44%	0.435	S	S	.	.	S	Bend	trans	-112.3	141.3	178.3	-59.2	-85.7	0	0	0	110.1	F210 Y530 D533 Q537	Y208-F210 HydrophobicContact CD2-CZ 4.49Å; Y208-F210 HydrophobicContact CG-CZ 4.34Å; Y208-F210 PolarHBondContact O-N 3.31Å; Y208-Y530 HydrophobicContact CD1-CD2 4.36Å; Y208-Y530 AromaticContact CD2-CD2 3.99Å; Y208-Y530 HydrophobicContact CD2-CD2 3.99Å; Y208-Y530 HydrophobicContact CE1-CD2 4.33Å; Y208-Y530 AromaticContact CE2-CD2 3.97Å; Y208-Y530 HydrophobicContact CE2-CD2 3.97Å; Y208-Y530 HydrophobicContact CE2-CG 4.46Å; Y208-Y530 HydrophobicContact CG-CD2 4.2Å; Y208-D533 WeakPolarHBondContact CA-OD2 3.32Å; Y208-D533 WeakPolarHBondContact CB-OD2 3.34Å; Y208-D533 HydrophobicContact CD2-CB 4.16Å; Y208-D533 VanDerWaalsContact CD2-OD2 3.29Å; Y208-D533 WeakPolarHBondContact CD2-OD2 3.24Å; Y208-D533 PolarHBondContact N-OD2 3.13Å; Y208-Q537 PolarHBondContact O-NE2 2.83Å
209	N	95.8	Very high	87	Confident	168 Å²	168	84.9 Å²	84.9	90%	0.898	43%	0.43	S	S	*	.			trans	-85.7	99.6	176.6	-172.3	1.4	0	0	0	109.9
210	F	97.6	Very high	88.2	Confident	18 Å²	18	84.4 Å²	84.4	8%	0.079	43%	0.432	C	S	.	.			trans	-91.6	139.2	179.6	-71.1	-63.4	0	0	0	112.2	Y208 D214 L215 Y530 D533 L534	Y208-F210 HydrophobicContact CD2-CZ 4.49Å; Y208-F210 HydrophobicContact CG-CZ 4.34Å; Y208-F210 PolarHBondContact O-N 3.31Å; F210-D214 HydrophobicContact CB-CB 4.08Å; F210-D214 HydrophobicContact CD1-CB 4.23Å; F210-L215 HydrophobicContact CB-CD2 3.72Å; F210-L215 HydrophobicContact CB-CG 3.98Å; F210-L215 HydrophobicContact CD2-CD2 4.42Å; F210-L215 HydrophobicContact CG-CD2 4.34Å; F210-Y530 HydrophobicContact CE1-CD2 4.43Å; F210-Y530 AromaticContact CE1-CE2 3.6Å; F210-Y530 HydrophobicContact CE1-CE2 3.6Å; F210-Y530 AromaticContact CE1-CZ 3.71Å; F210-Y530 AromaticContact CZ-CD2 3.95Å; F210-Y530 HydrophobicContact CZ-CD2 3.95Å; F210-Y530 AromaticContact CZ-CE2 3.58Å; F210-Y530 HydrophobicContact CZ-CE2 3.58Å; F210-Y530 AromaticContact CZ-CZ 3.91Å; F210-D533 HydrophobicContact CE2-CB 4.5Å; F210-D533 WeakPolarHBondContact CE2-OD2 3.47Å; F210-L534 HydrophobicContact CB-CD1 4.49Å; F210-L534 HydrophobicContact CD1-CD1 3.88Å; F210-L534 HydrophobicContact CD2-CB 4.26Å; F210-L534 HydrophobicContact CD2-CD1 3.84Å; F210-L534 HydrophobicContact CE1-CB 4.36Å; F210-L534 HydrophobicContact CE1-CD1 4.02Å; F210-L534 HydrophobicContact CE1-CD2 4.46Å; F210-L534 VanDerWaalsContact CE2-CA 3.48Å; F210-L534 HydrophobicContact CE2-CB 3.6Å; F210-L534 HydrophobicContact CE2-CD1 3.99Å; F210-L534 HydrophobicContact CE2-CG 4.35Å; F210-L534 HydrophobicContact CG-CD1 3.8Å; F210-L534 HydrophobicContact CZ-CB 3.66Å; F210-L534 HydrophobicContact CZ-CD1 4.08Å; F210-L534 HydrophobicContact CZ-CD2 4.49Å; F210-L534 HydrophobicContact CZ-CG 4.28Å
211	T	97.3	Very high	89.7	Confident	81 Å²	81	82 Å²	82	50%	0.497	41%	0.413	S	S	.	.			trans	-69	159.1	177.7	73.4	0	0	0	0	111.1	G213 D214 L215	T211-G213 PolarHBondContact O-N 3.26Å; T211-G213 VanDerWaalsContact O-N 3.12Å; T211-G213 PolarHBondContact OG1-N 2.83Å; T211-D214 WeakPolarHBondContact CB-OD2 3.26Å; T211-D214 PolarHBondContact N-OD2 3.16Å; T211-D214 VanDerWaalsContact N-OD2 3.08Å; T211-D214 WeakPolarHBondContact O-CA 3.41Å; T211-D214 WeakPolarHBondContact O-CB 3.19Å; T211-D214 PolarHBondContact O-N 3.31Å; T211-D214 VanDerWaalsContact OG1-CG 3.23Å; T211-D214 PolarHBondContact OG1-N 3.37Å; T211-D214 VanDerWaalsContact OG1-N 3.13Å; T211-D214 PolarHBondContact OG1-OD2 3.41Å; T211-L215 PolarHBondContact O-N 3.15Å; T211-L215 VanDerWaalsContact O-N 3.07Å
212	R	95	Very high	91.3	Very high	176 Å²	176	85.3 Å²	85.3	66%	0.664	43%	0.43	S	S	*	.	H	α-helix	trans	-54.2	-30.7	168.4	-178.2	172.5	174.6	134.9	-7	112.4	D214 L216 F541	R212-D214 VanDerWaalsContact C-N 3.33Å; R212-L216 VanDerWaalsContact O-CB 3.29Å; R212-L216 WeakPolarHBondContact O-CB 3.38Å; R212-L216 PolarHBondContact O-N 3.4Å; R212-F541 HydrophobicContact CG-CE2 4.45Å; R212-F541 HydrophobicContact CG-CZ 3.92Å
213	G	93.7	Very high	92.9	Very high	50 Å²	50	82.7 Å²	82.7	52%	0.515	40%	0.403	S	S	.	.	H	α-helix	trans	-73.3	-18.2	174.3	0	0	0	0	0	114.5	T211 R217	T211-G213 PolarHBondContact O-N 3.26Å; T211-G213 VanDerWaalsContact O-N 3.12Å; T211-G213 PolarHBondContact OG1-N 2.83Å; G213-R217 PolarHBondContact O-NH1 2.78Å
214	D	95.9	Very high	94	Very high	14 Å²	14	76.1 Å²	76.1	8%	0.075	38%	0.381	C	S	.	.	H	α-helix	trans	-89.5	-34.6	173.2	-61.5	-53.6	0	0	0	112.2	F210 T211 R212 K466 R538	F210-D214 HydrophobicContact CB-CB 4.08Å; F210-D214 HydrophobicContact CD1-CB 4.23Å; T211-D214 WeakPolarHBondContact CB-OD2 3.26Å; T211-D214 PolarHBondContact N-OD2 3.16Å; T211-D214 VanDerWaalsContact N-OD2 3.08Å; T211-D214 WeakPolarHBondContact O-CA 3.41Å; T211-D214 WeakPolarHBondContact O-CB 3.19Å; T211-D214 PolarHBondContact O-N 3.31Å; T211-D214 VanDerWaalsContact OG1-CG 3.23Å; T211-D214 PolarHBondContact OG1-N 3.37Å; T211-D214 VanDerWaalsContact OG1-N 3.13Å; T211-D214 PolarHBondContact OG1-OD2 3.41Å; R212-D214 VanDerWaalsContact C-N 3.33Å; D214-K466 HydrophobicContact CB-CD 4.43Å; D214-K466 HydrophobicContact CB-CG 4.48Å; D214-K466 WeakPolarHBondContact OD1-CD 3.27Å; D214-K466 WeakPolarHBondContact OD1-CE 3.27Å; D214-K466 IonicContact OD1-NZ 3.9Å; D214-K466 PolarHBondContact OD1-NZ 2.72Å; D214-K466 IonicContact OD2-NZ 2.77Å; D214-R538 VanDerWaalsContact O-CZ 3.28Å; D214-R538 PolarHBondContact O-NE 2.95Å; D214-R538 PolarHBondContact O-NH2 3.44Å
215	L	97	Very high	94.4	Very high	17 Å²	17	74.7 Å²	74.7	9%	0.089	38%	0.379	C	S	.	.	H	α-helix	trans	-81.4	-37.6	-179.1	-60.3	-175.9	0	0	0	113.1	F210 T211 R217 L534 Q537 R538 F541	F210-L215 HydrophobicContact CB-CD2 3.72Å; F210-L215 HydrophobicContact CB-CG 3.98Å; F210-L215 HydrophobicContact CD2-CD2 4.42Å; F210-L215 HydrophobicContact CG-CD2 4.34Å; T211-L215 PolarHBondContact O-N 3.15Å; T211-L215 VanDerWaalsContact O-N 3.07Å; L215-R217 PolarHBondContact O-N 3Å; L215-R217 VanDerWaalsContact O-N 3.14Å; L215-L534 HydrophobicContact CD2-CD1 4.08Å; L215-Q537 HydrophobicContact CD1-CB 4.41Å; L215-Q537 HydrophobicContact CD2-CB 3.58Å; L215-R538 HydrophobicContact CD2-CG 4.1Å; L215-F541 HydrophobicContact CB-CB 4.24Å; L215-F541 HydrophobicContact CB-CD1 4.1Å; L215-F541 HydrophobicContact CB-CD2 4.49Å; L215-F541 HydrophobicContact CB-CG 4.02Å; L215-F541 HydrophobicContact CD1-CB 4.21Å; L215-F541 HydrophobicContact CD1-CD2 4.17Å; L215-F541 HydrophobicContact CD1-CG 4.26Å
216	L	94.2	Very high	94.7	Very high	51 Å²	51	71.8 Å²	71.8	27%	0.267	36%	0.359	S	S	.	.			trans	-83.4	92.7	179.3	-174.2	55.3	0	0	0	111.1	R212 F541 M542	R212-L216 VanDerWaalsContact O-CB 3.29Å; R212-L216 WeakPolarHBondContact O-CB 3.38Å; R212-L216 PolarHBondContact O-N 3.4Å; L216-F541 HydrophobicContact CB-CE1 4.03Å; L216-F541 HydrophobicContact CD1-CE1 4.34Å; L216-M542 HydrophobicContact CD1-CE 4.25Å
217	R	93.8	Very high	94.9	Very high	40 Å²	40	69 Å²	69	15%	0.151	34%	0.34	C	S	.	.			trans	-97.8	104.1	163.2	-69.2	-72.9	166	-81.4	-1.6	109.4	G213 L215 K466 M468 A469 T487	G213-R217 PolarHBondContact O-NH1 2.78Å; L215-R217 PolarHBondContact O-N 3Å; L215-R217 VanDerWaalsContact O-N 3.14Å; R217-K466 PolarHBondContact NE-O 3.11Å; R217-K466 PolarHBondContact NH2-O 2.81Å; R217-M468 PolarHBondContact NE-O 2.87Å; R217-A469 WeakPolarHBondContact CB-O 3.41Å; R217-A469 WeakPolarHBondContact CD-O 3.3Å; R217-A469 WeakPolarHBondContact CG-O 3.4Å; R217-T487 HydrophobicContact CB-CG2 4.22Å
218	K	93.9	Very high	95.1	Very high	124 Å²	124	60.2 Å²	60.2	54%	0.539	31%	0.307	S	S	.	.			trans	-123.9	130.9	161.6	-173.8	-161.9	170.7	-149.2	0	107	D220	K218-D220 IonicContact NZ-OD1 3.27Å; K218-D220 PolarHBondContact NZ-OD1 2.82Å
219	V	95	Very high	95.2	Very high	19 Å²	19	57.1 Å²	57.1	12%	0.115	30%	0.295	C	S	.	.			trans	-113.6	129.4	170	-178.5	0	0	0	0	107	F221 H359 A469 T487 F488	V219-F221 VanDerWaalsContact C-N 3.27Å; V219-F221 HydrophobicContact CG1-CB 4.01Å; V219-F221 PolarHBondContact O-N 3.43Å; V219-F221 VanDerWaalsContact O-N 3.16Å; V219-H359 VanDerWaalsContact CG1-CE1 3.43Å; V219-H359 WeakPolarHBondContact CG1-CE1 3.27Å; V219-A469 HydrophobicContact CG2-CB 4.06Å; V219-T487 HydrophobicContact CG2-CG2 3.97Å; V219-T487 PolarHBondContact N-O 2.88Å; V219-F488 HydrophobicContact CB-CD1 4.09Å; V219-F488 HydrophobicContact CB-CE1 4.24Å; V219-F488 HydrophobicContact CG1-CD1 4.3Å; V219-F488 HydrophobicContact CG1-CE1 4.35Å; V219-F488 HydrophobicContact CG2-CD1 4.44Å; V219-F488 HydrophobicContact CG2-CE1 4.15Å
220	D	93.9	Very high	95.4	Very high	129 Å²	129	49.1 Å²	49.1	69%	0.69	25%	0.252	S	S	*	.			trans	-87.6	73.7	172.9	-141.6	51.7	0	0	0	108.1	K218 D222	K218-D220 IonicContact NZ-OD1 3.27Å; K218-D220 PolarHBondContact NZ-OD1 2.82Å; D220-D222 PolarHBondContact O-N 2.87Å
221	F	96.5	Very high	95.4	Very high	25 Å²	25	48.8 Å²	48.8	11%	0.11	25%	0.251	C	S	.	.			trans	-77.9	109.9	-164.1	-178.5	-94.8	0	0	0	112.6	V219 I223 D227 I229 W276 H359 F488 M490	V219-F221 VanDerWaalsContact C-N 3.27Å; V219-F221 HydrophobicContact CG1-CB 4.01Å; V219-F221 PolarHBondContact O-N 3.43Å; V219-F221 VanDerWaalsContact O-N 3.16Å; F221-I223 HydrophobicContact CD1-CB 4.26Å; F221-I223 HydrophobicContact CE1-CB 3.81Å; F221-I223 HydrophobicContact CE1-CG1 4.11Å; F221-I223 PolarHBondContact O-N 3.4Å; F221-D227 WeakPolarHBondContact CA-OD2 3.49Å; F221-D227 HydrophobicContact CD2-CB 3.55Å; F221-D227 HydrophobicContact CE2-CB 3.41Å; F221-D227 VanDerWaalsContact CE2-CB 3.41Å; F221-D227 HydrophobicContact CG-CB 4.37Å; F221-D227 HydrophobicContact CZ-CB 4.14Å; F221-I229 HydrophobicContact CD2-CG1 4.26Å; F221-I229 HydrophobicContact CE2-CD1 4.17Å; F221-I229 HydrophobicContact CE2-CG1 3.63Å; F221-I229 HydrophobicContact CZ-CD1 4.14Å; F221-I229 HydrophobicContact CZ-CG1 3.92Å; F221-W276 HydrophobicContact CZ-CB 4.34Å; F221-W276 HydrophobicContact CZ-CE3 4.39Å; F221-H359 AromaticContact CD2-CD2 3.77Å; F221-H359 AromaticContact CE2-CD2 3.89Å; F221-F488 HydrophobicContact CB-CD1 4.11Å; F221-F488 HydrophobicContact CD2-CD1 4.19Å; F221-F488 HydrophobicContact CD2-CE1 4.49Å; F221-F488 HydrophobicContact CG-CD1 4.23Å; F221-M490 HydrophobicContact CD1-CE 3.22Å; F221-M490 HydrophobicContact CE1-CE 3.43Å; F221-M490 VanDerWaalsContact CE1-CE 3.43Å; F221-M490 HydrophobicContact CG-CE 4.11Å; F221-M490 HydrophobicContact CZ-CE 4.45Å
222	D	95.5	Very high	95.5	Very high	77 Å²	77	45 Å²	45	41%	0.412	23%	0.227	S	C	.	.			trans	-88.7	98.7	174.3	-172.9	4.2	0	0	0	111.9	D220 K224 G225 D227	D220-D222 PolarHBondContact O-N 2.87Å; D222-K224 PolarHBondContact O-N 3.46Å; D222-K224 WeakPolarHBondContact OD1-CA 3.33Å; D222-K224 WeakPolarHBondContact OD1-CB 3.49Å; D222-K224 PolarHBondContact OD1-N 2.68Å; D222-G225 PolarHBondContact OD1-N 2.95Å; D222-G225 WeakPolarHBondContact OD2-CA 3.39Å; D222-G225 PolarHBondContact OD2-N 3.2Å; D222-D227 PolarHBondContact N-OD2 2.65Å
223	I	95.4	Very high	95.7	Very high	30 Å²	30	37 Å²	37	15%	0.154	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24.6	173.8	-162.4	169.5	0	0	0	113.1	F221 L252 R269 W276	F221-I223 HydrophobicContact CD1-CB 4.26Å; F221-I223 HydrophobicContact CE1-CB 3.81Å; F221-I223 HydrophobicContact CE1-CG1 4.11Å; F221-I223 PolarHBondContact O-N 3.4Å; I223-L252 HydrophobicContact CD1-CD2 3.71Å; I223-R269 VanDerWaalsContact O-CB 3.3Å; I223-R269 WeakPolarHBondContact O-CB 3.37Å; I223-R269 VanDerWaalsContact O-CD 3.28Å; I223-R269 WeakPolarHBondContact O-CD 3.32Å; I223-R269 WeakPolarHBondContact O-CG 3.29Å; I223-R269 PolarHBondContact O-NH1 2.71Å; I223-W276 HydrophobicContact CD1-CD2 3.93Å; I223-W276 HydrophobicContact CD1-CG 3.92Å; I223-W276 HydrophobicContact CG1-CB 3.89Å; I223-W276 HydrophobicContact CG1-CD2 4.17Å; I223-W276 HydrophobicContact CG1-CG 3.69Å
224	K	93.9	Very high	95.9	Very high	93 Å²	93	34.6 Å²	34.6	40%	0.404	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-33.5	-178.5	-59.5	-169.5	-179.1	-169	0	112.3	D222 E253 P270 K272	D222-K224 PolarHBondContact O-N 3.46Å; D222-K224 WeakPolarHBondContact OD1-CA 3.33Å; D222-K224 WeakPolarHBondContact OD1-CB 3.49Å; D222-K224 PolarHBondContact OD1-N 2.68Å; K224-E253 WeakPolarHBondContact CE-OE1 3.07Å; K224-E253 WeakPolarHBondContact CE-OE2 3.49Å; K224-E253 IonicContact NZ-OE1 3.91Å; K224-E253 PolarHBondContact NZ-OE1 3.27Å; K224-E253 IonicContact NZ-OE2 3.62Å; K224-E253 PolarHBondContact NZ-OE2 3.37Å; K224-P270 HydrophobicContact CD-CB 4.49Å; K224-P270 HydrophobicContact CG-CB 4.32Å; K224-P270 HydrophobicContact CG-CG 4.12Å; K224-K272 WeakPolarHBondContact O-CE 3.4Å; K224-K272 PolarHBondContact O-NZ 3.5Å
225	G	92.4	Very high	96	Very high	14 Å²	14	34 Å²	34	14%	0.144	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-127.4	171.9	0	0	0	0	0	113.1	D222 R269 K272	D222-G225 PolarHBondContact OD1-N 2.95Å; D222-G225 WeakPolarHBondContact OD2-CA 3.39Å; D222-G225 PolarHBondContact OD2-N 3.2Å; G225-R269 VanDerWaalsContact O-CD 3.3Å; G225-R269 WeakPolarHBondContact O-CD 3.19Å; G225-R269 PolarHBondContact O-NE 2.82Å; G225-R269 PolarHBondContact O-NH1 2.76Å; G225-K272 PolarHBondContact O-NZ 3.45Å
226	D	91.7	Very high	96.1	Very high	60 Å²	60	35.2 Å²	35.2	32%	0.321	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.9	0.2	-164.6	-87.6	-69.6	0	0	0	115	R269 G355 K356	D226-R269 PolarHBondContact O-NH2 2.99Å; D226-R269 VanDerWaalsContact O-NH2 3.1Å; D226-G355 WeakPolarHBondContact CB-O 3.27Å; D226-K356 HydrophobicContact CB-CG 3.99Å; D226-K356 WeakPolarHBondContact OD1-CE 3.49Å; D226-K356 WeakPolarHBondContact OD1-CG 3.31Å
227	D	96	Very high	96.3	Very high	13 Å²	13	32.8 Å²	32.8	7%	0.07	16%	0.162	C	C	.	.			trans	-71.1	139.5	-178.5	-62.9	-6.6	0	0	0	112.7	F221 D222 R269 N357 H359	F221-D227 WeakPolarHBondContact CA-OD2 3.49Å; F221-D227 HydrophobicContact CD2-CB 3.55Å; F221-D227 HydrophobicContact CE2-CB 3.41Å; F221-D227 VanDerWaalsContact CE2-CB 3.41Å; F221-D227 HydrophobicContact CG-CB 4.37Å; F221-D227 HydrophobicContact CZ-CB 4.14Å; D222-D227 PolarHBondContact N-OD2 2.65Å; D227-R269 VanDerWaalsContact O-CZ 3.26Å; D227-R269 PolarHBondContact O-NH1 3.05Å; D227-R269 PolarHBondContact O-NH2 2.88Å; D227-N357 WeakPolarHBondContact OD1-CB 3.46Å; D227-N357 PolarHBondContact OD1-ND2 2.88Å; D227-H359 IonicContact OD1-NE2 3.74Å; D227-H359 IonicContact OD2-NE2 2.69Å
228	L	96.8	Very high	96.4	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	119.1	-176.3	-171.4	79.7	0	0	0	111.1	V230 T275 W276 F278 V300 V304 N357 F358 H359	L228-V230 HydrophobicContact CD2-CG2 4.08Å; L228-V230 HydrophobicContact CG-CG2 4.37Å; L228-T275 HydrophobicContact CD1-CG2 4.16Å; L228-T275 WeakPolarHBondContact CD1-O 3.45Å; L228-W276 VanDerWaalsContact CD1-C 3.49Å; L228-F278 HydrophobicContact CD2-CB 4.03Å; L228-F278 HydrophobicContact CG-CB 4.38Å; L228-V300 HydrophobicContact CD2-CG1 4.03Å; L228-V304 HydrophobicContact CD2-CG1 4.32Å; L228-V304 HydrophobicContact CD2-CG2 3.63Å; L228-N357 PolarHBondContact N-O 3.37Å; L228-F358 HydrophobicContact CB-CD1 4.26Å; L228-F358 HydrophobicContact CD2-CD1 3.77Å; L228-F358 HydrophobicContact CD2-CE1 3.71Å; L228-H359 PolarHBondContact O-N 3.18Å
229	I	98.6	Very high	96.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	128.7	169.3	-67.3	175.2	0	0	0	109	F221 W276 L277 F278 H359 I361 F484 F488 M490	F221-I229 HydrophobicContact CD2-CG1 4.26Å; F221-I229 HydrophobicContact CE2-CD1 4.17Å; F221-I229 HydrophobicContact CE2-CG1 3.63Å; F221-I229 HydrophobicContact CZ-CD1 4.14Å; F221-I229 HydrophobicContact CZ-CG1 3.92Å; I229-W276 HydrophobicContact CD1-CZ3 4.41Å; I229-W276 PolarHBondContact N-O 3.01Å; I229-L277 HydrophobicContact CB-CD1 3.89Å; I229-L277 HydrophobicContact CG2-CD1 3.68Å; I229-F278 PolarHBondContact O-N 3.28Å; I229-H359 WeakPolarHBondContact CA-O 3.37Å; I229-H359 HydrophobicContact CG1-CB 4.45Å; I229-I361 HydrophobicContact CG2-CD1 3.46Å; I229-I361 VanDerWaalsContact CG2-CD1 3.46Å; I229-I361 HydrophobicContact CG2-CG1 3.9Å; I229-F484 HydrophobicContact CD1-CZ 4.22Å; I229-F488 HydrophobicContact CD1-CD1 4Å; I229-F488 HydrophobicContact CD1-CE1 3.99Å; I229-F488 HydrophobicContact CD1-CE2 4.49Å; I229-F488 HydrophobicContact CD1-CG 4.28Å; I229-F488 HydrophobicContact CD1-CZ 4.24Å; I229-F488 HydrophobicContact CG1-CD1 4.38Å; I229-F488 HydrophobicContact CG1-CE1 3.95Å; I229-F488 HydrophobicContact CG1-CZ 4.26Å; I229-M490 HydrophobicContact CD1-CE 4.35Å
230	V	98.7	Very high	96.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	107	179.2	-173.1	0	0	0	0	109.7	L228 L232 F278 L296 V300 F358 H359 Y360 I361	L228-V230 HydrophobicContact CD2-CG2 4.08Å; L228-V230 HydrophobicContact CG-CG2 4.37Å; V230-L232 PolarHBondContact O-N 3.43Å; V230-F278 HydrophobicContact CG1-CB 4.35Å; V230-F278 HydrophobicContact CG1-CD1 4.25Å; V230-F278 HydrophobicContact CG2-CB 4.26Å; V230-L296 HydrophobicContact CG1-CD1 4.4Å; V230-V300 HydrophobicContact CG1-CG2 4.14Å; V230-V300 HydrophobicContact CG2-CG1 4.08Å; V230-F358 HydrophobicContact CG2-CB 4.39Å; V230-F358 HydrophobicContact CG2-CD1 4.15Å; V230-H359 PolarHBondContact N-O 2.78Å; V230-Y360 HydrophobicContact CB-CD1 3.87Å; V230-Y360 HydrophobicContact CB-CE1 3.95Å; V230-Y360 HydrophobicContact CB-CG 4.33Å; V230-Y360 HydrophobicContact CG1-CD1 3.83Å; V230-Y360 HydrophobicContact CG1-CE1 3.62Å; V230-Y360 HydrophobicContact CG2-CE1 4.37Å; V230-Y360 WeakPolarHBondContact O-CA 3.21Å; V230-I361 PolarHBondContact O-N 2.94Å
231	F	98.8	Very high	96.6	Very high	11 Å²	11	24 Å²	24	5%	0.048	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	101.9	-177.8	176.9	-144	0	0	0	112.4	H233 G239 F242 L246 F278 I361 I363	F231-H233 HydrophobicContact CD1-CB 4.43Å; F231-H233 HydrophobicContact CE1-CB 3.97Å; F231-H233 HydrophobicContact CE2-CB 4.32Å; F231-H233 HydrophobicContact CZ-CB 3.9Å; F231-H233 PolarHBondContact O-N 3.03Å; F231-G239 WeakPolarHBondContact CE1-O 3.29Å; F231-F242 HydrophobicContact CD2-CD1 4.35Å; F231-F242 HydrophobicContact CD2-CE1 4.41Å; F231-F242 HydrophobicContact CE1-CD1 4.19Å; F231-F242 AromaticContact CE2-CD1 3.9Å; F231-F242 HydrophobicContact CE2-CD1 3.9Å; F231-F242 HydrophobicContact CE2-CE1 4.34Å; F231-F242 AromaticContact CZ-CD1 3.81Å; F231-F242 HydrophobicContact CZ-CD1 3.81Å; F231-L246 HydrophobicContact CB-CD1 4.09Å; F231-L246 HydrophobicContact CD1-CD1 3.95Å; F231-L246 HydrophobicContact CG-CD1 4.06Å; F231-F278 PolarHBondContact N-O 3.15Å; F231-I361 HydrophobicContact CB-CD1 4.39Å; F231-I361 HydrophobicContact CB-CG1 4.05Å; F231-I361 HydrophobicContact CD2-CG1 4.14Å; F231-I361 HydrophobicContact CG-CG1 4.47Å; F231-I363 HydrophobicContact CE2-CG1 4.13Å; F231-I363 HydrophobicContact CZ-CG1 4.4Å
232	L	98.8	Very high	96.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	107.3	169.7	-167.6	169.6	0	0	0	109.1	V230 I234 W293 L296 I361 T362 L434 M468	V230-L232 PolarHBondContact O-N 3.43Å; L232-I234 HydrophobicContact CD2-CD1 4.2Å; L232-I234 HydrophobicContact CD2-CG1 3.46Å; L232-I234 VanDerWaalsContact CD2-CG1 3.46Å; L232-W293 HydrophobicContact CD1-CB 3.9Å; L232-L296 HydrophobicContact CB-CD1 3.76Å; L232-L296 HydrophobicContact CD1-CD1 4.23Å; L232-L296 HydrophobicContact CG-CD1 3.75Å; L232-I361 PolarHBondContact N-O 3.43Å; L232-T362 PolarHBondContact O-OG1 2.98Å; L232-L434 HydrophobicContact CD1-CD2 4.11Å; L232-M468 HydrophobicContact CD1-CE 4Å
233	H	98.8	Very high	96.8	Very high	8 Å²	8	19.2 Å²	19.2	4%	0.037	11%	0.109	C	C	.	.			trans	-102	91	-174.5	174.9	-155.1	0	0	0	110.9	F231 T240 W285 H290	F231-H233 HydrophobicContact CD1-CB 4.43Å; F231-H233 HydrophobicContact CE1-CB 3.97Å; F231-H233 HydrophobicContact CE2-CB 4.32Å; F231-H233 HydrophobicContact CZ-CB 3.9Å; F231-H233 PolarHBondContact O-N 3.03Å; H233-T240 PolarHBondContact NE2-N 2.95Å; H233-W285 HydrophobicContact CB-CH2 4.32Å; H233-W285 AromaticContact ND1-CH2 3.63Å; H233-H290 AromaticContact CE1-CE1 3.44Å; H233-H290 PolarHBondContact CE1-CE1 3.13Å; H233-H290 VanDerWaalsContact CE1-CE1 3.44Å; H233-H290 AromaticContact CG-CE1 3.99Å; H233-H290 AromaticContact ND1-CE1 3.57Å; H233-H290 AromaticContact ND1-ND1 3.98Å; H233-H290 AromaticContact NE2-CE1 3.81Å; H233-H290 PolarHBondContact O-ND1 3.45Å
234	I	98.8	Very high	96.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.124	C	C	.	.			trans	-64.3	144.8	172.4	-52.9	177.6	0	0	0	109.8	L232 K236 T237 L364 R429 Q430 M433 L434	L232-I234 HydrophobicContact CD2-CD1 4.2Å; L232-I234 HydrophobicContact CD2-CG1 3.46Å; L232-I234 VanDerWaalsContact CD2-CG1 3.46Å; I234-K236 PolarHBondContact O-N 2.92Å; I234-T237 HydrophobicContact CB-CG2 4.06Å; I234-T237 HydrophobicContact CG2-CG2 4.09Å; I234-T237 PolarHBondContact O-OG1 3.32Å; I234-L364 HydrophobicContact CD1-CD2 3.68Å; I234-R429 HydrophobicContact CG2-CG 4Å; I234-Q430 HydrophobicContact CD1-CB 4.29Å; I234-Q430 HydrophobicContact CD1-CG 4.2Å; I234-Q430 HydrophobicContact CG2-CG 4.12Å; I234-M433 HydrophobicContact CG1-CB 4.31Å; I234-M433 HydrophobicContact CG2-SD 3.95Å; I234-L434 HydrophobicContact CD1-CD1 4.2Å; I234-L434 HydrophobicContact CD1-CD2 4.37Å; I234-L434 HydrophobicContact CD1-CG 4.04Å
235	Q	98.6	Very high	97.1	Very high	3 Å²	3	20.8 Å²	20.8	1%	0.014	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	136.4	175.6	-69.4	78.8	-13.5	0	0	110.5	T237 H290 W384 R429 M433	Q235-T237 VanDerWaalsContact C-N 3.27Å; Q235-T237 PolarHBondContact O-N 2.96Å; Q235-T237 VanDerWaalsContact O-N 3.16Å; Q235-H290 VanDerWaalsContact NE2-CB 3.25Å; Q235-W384 HydrophobicContact CB-CH2 4.26Å; Q235-W384 HydrophobicContact CB-CZ2 3.97Å; Q235-W384 HydrophobicContact CG-CD2 3.86Å; Q235-W384 VanDerWaalsContact CG-CE2 3.41Å; Q235-W384 HydrophobicContact CG-CE3 4.34Å; Q235-W384 HydrophobicContact CG-CG 4.35Å; Q235-W384 HydrophobicContact CG-CH2 4.04Å; Q235-W384 HydrophobicContact CG-CZ2 3.51Å; Q235-W384 HydrophobicContact CG-CZ3 4.42Å; Q235-R429 VanDerWaalsContact CD-NH1 3.29Å; Q235-R429 VanDerWaalsContact OE1-NH1 3.09Å; Q235-M433 PolarHBondContact OE1-SD 3.32Å
236	K	97.8	Very high	97.4	Very high	41 Å²	41	20.2 Å²	20.2	18%	0.178	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	-1.9	169.7	-45.9	-49.8	-43.7	-143.5	0	118.5	I234 G238 R365 R370 S373 E374 H377 W384	I234-K236 PolarHBondContact O-N 2.92Å; K236-G238 PolarHBondContact O-N 2.97Å; K236-R365 PolarHBondContact O-NH1 3.31Å; K236-R370 HydrophobicContact CB-CG 4.05Å; K236-S373 WeakPolarHBondContact CE-O 3.26Å; K236-S373 PolarHBondContact NZ-O 2.89Å; K236-E374 HydrophobicContact CG-CB 3.72Å; K236-E374 HydrophobicContact CG-CG 4.01Å; K236-H377 HydrophobicContact CD-CB 4.3Å; K236-W384 HydrophobicContact CD-CH2 4.06Å; K236-W384 HydrophobicContact CD-CZ2 4.21Å
237	T	97.8	Very high	97.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	-81.2	39.5	176.5	61.6	0	0	0	0	113.5	I234 Q235 G239 I363 R365 R370 Q430 T474	I234-T237 HydrophobicContact CB-CG2 4.06Å; I234-T237 HydrophobicContact CG2-CG2 4.09Å; I234-T237 PolarHBondContact O-OG1 3.32Å; Q235-T237 VanDerWaalsContact C-N 3.27Å; Q235-T237 PolarHBondContact O-N 2.96Å; Q235-T237 VanDerWaalsContact O-N 3.16Å; T237-G239 PolarHBondContact O-N 3.42Å; T237-I363 WeakPolarHBondContact CB-O 3.47Å; T237-I363 WeakPolarHBondContact O-CG2 3.23Å; T237-I363 PolarHBondContact OG1-O 2.88Å; T237-R365 HydrophobicContact CG2-CB 4.1Å; T237-R370 HydrophobicContact CG2-CG 4.24Å; T237-Q430 HydrophobicContact CG2-CG 4.34Å; T237-T474 VanDerWaalsContact C-OG1 3.25Å; T237-T474 PolarHBondContact O-OG1 2.78Å
238	G	96.3	Very high	97.7	Very high	26 Å²	26	24.4 Å²	24.4	27%	0.268	12%	0.116	S	C	.	.	S	Bend	trans	64.6	-4.1	-179.7	0	0	0	0	0	116.3	K236 T240 T241 F242	K236-G238 PolarHBondContact O-N 2.97Å; G238-T240 PolarHBondContact O-N 3.33Å; G238-T241 WeakPolarHBondContact O-CB 3.26Å; G238-T241 PolarHBondContact O-N 3.39Å; G238-F242 PolarHBondContact O-N 2.99Å
239	G	95.2	Very high	97.8	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-59.7	-14.7	-170.1	0	0	0	0	0	117.1	F231 T237 T241 G243	F231-G239 WeakPolarHBondContact CE1-O 3.29Å; T237-G239 PolarHBondContact O-N 3.42Å; G239-T241 VanDerWaalsContact C-N 3.34Å; G239-G243 PolarHBondContact O-N 2.9Å
240	T	95.5	Very high	97.8	Very high	47 Å²	47	25.4 Å²	25.4	29%	0.288	12%	0.121	S	C	.	.	H	α-helix	trans	-71.2	-26.4	168.6	-68.5	0	0	0	0	113	H233 G238 R244 R280 F281	H233-T240 PolarHBondContact NE2-N 2.95Å; G238-T240 PolarHBondContact O-N 3.33Å; T240-R244 WeakPolarHBondContact O-CG 3.46Å; T240-R280 PolarHBondContact OG1-NH1 3.06Å; T240-F281 HydrophobicContact CG2-CZ 4.31Å
241	T	96.9	Very high	97.7	Very high	53 Å²	53	31.4 Å²	31.4	33%	0.325	15%	0.149	S	C	.	.	H	α-helix	trans	-81.9	-53.5	171.1	-60.6	0	0	0	0	110	G238 G239 G243 R244 H245	G238-T241 WeakPolarHBondContact O-CB 3.26Å; G238-T241 PolarHBondContact O-N 3.39Å; G239-T241 VanDerWaalsContact C-N 3.34Å; T241-G243 VanDerWaalsContact C-N 3.34Å; T241-G243 PolarHBondContact O-N 2.94Å; T241-R244 WeakPolarHBondContact O-CB 3.43Å; T241-R244 PolarHBondContact O-N 2.93Å; T241-H245 PolarHBondContact O-CD2 3.39Å; T241-H245 VanDerWaalsContact O-CD2 3.24Å; T241-H245 PolarHBondContact O-N 2.71Å
242	F	98.3	Very high	97.6	Very high	3 Å²	3	32.5 Å²	32.5	1%	0.013	16%	0.155	C	C	.	.	H	α-helix	trans	-54.7	-47.1	178.4	-176.5	-107.2	0	0	0	112.8	F231 G238 R244 H245 L246 I361 I363 F470 T480 F484 F496	F231-F242 HydrophobicContact CD2-CD1 4.35Å; F231-F242 HydrophobicContact CD2-CE1 4.41Å; F231-F242 HydrophobicContact CE1-CD1 4.19Å; F231-F242 AromaticContact CE2-CD1 3.9Å; F231-F242 HydrophobicContact CE2-CD1 3.9Å; F231-F242 HydrophobicContact CE2-CE1 4.34Å; F231-F242 AromaticContact CZ-CD1 3.81Å; F231-F242 HydrophobicContact CZ-CD1 3.81Å; G238-F242 PolarHBondContact O-N 2.99Å; F242-R244 PolarHBondContact O-N 3.32Å; F242-H245 WeakPolarHBondContact O-CA 3.35Å; F242-H245 WeakPolarHBondContact O-CB 3.15Å; F242-H245 PolarHBondContact O-N 2.6Å; F242-L246 HydrophobicContact CD1-CD1 4.13Å; F242-L246 HydrophobicContact CD1-CG 4.3Å; F242-L246 HydrophobicContact CE1-CD1 3.8Å; F242-L246 HydrophobicContact CE1-CD2 3.95Å; F242-L246 HydrophobicContact CE1-CG 4Å; F242-L246 HydrophobicContact CZ-CD2 3.85Å; F242-L246 HydrophobicContact CZ-CG 4.34Å; F242-L246 PolarHBondContact O-N 3.23Å; F242-L246 VanDerWaalsContact O-N 3.11Å; F242-I361 HydrophobicContact CE1-CD1 3.85Å; F242-I361 HydrophobicContact CZ-CD1 4.22Å; F242-I363 HydrophobicContact CB-CD1 4.17Å; F242-I363 HydrophobicContact CB-CG1 3.81Å; F242-I363 HydrophobicContact CD1-CD1 3.64Å; F242-I363 HydrophobicContact CD1-CG1 3.5Å; F242-I363 VanDerWaalsContact CD1-CG1 3.5Å; F242-I363 HydrophobicContact CD2-CD1 3.69Å; F242-I363 HydrophobicContact CD2-CG1 4.26Å; F242-I363 HydrophobicContact CE1-CD1 3.85Å; F242-I363 HydrophobicContact CE1-CG1 4.09Å; F242-I363 HydrophobicContact CE2-CD1 3.92Å; F242-I363 HydrophobicContact CG-CD1 3.54Å; F242-I363 HydrophobicContact CG-CG1 3.58Å; F242-I363 HydrophobicContact CZ-CD1 4Å; F242-F470 HydrophobicContact CE2-CE1 4.19Å; F242-F470 HydrophobicContact CZ-CD1 4.43Å; F242-F470 AromaticContact CZ-CE1 3.76Å; F242-F470 HydrophobicContact CZ-CE1 3.76Å; F242-T480 HydrophobicContact CD2-CG2 4.34Å; F242-T480 HydrophobicContact CE2-CG2 4.26Å; F242-F484 HydrophobicContact CE2-CD2 4.48Å; F242-F484 AromaticContact CZ-CD2 3.89Å; F242-F484 HydrophobicContact CZ-CD2 3.89Å; F242-F484 HydrophobicContact CZ-CE2 4.22Å; F242-F496 AromaticContact CD2-CE2 3.83Å; F242-F496 HydrophobicContact CD2-CE2 3.83Å; F242-F496 HydrophobicContact CD2-CZ 4.14Å; F242-F496 HydrophobicContact CE2-CE2 4.08Å; F242-F496 HydrophobicContact CE2-CZ 4.2Å
243	G	97.9	Very high	97.3	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-26	176.5	0	0	0	0	0	114.4	G239 T241	G239-G243 PolarHBondContact O-N 2.9Å; T241-G243 VanDerWaalsContact C-N 3.34Å; T241-G243 PolarHBondContact O-N 2.94Å
244	R	97.3	Very high	97.2	Very high	126 Å²	126	42 Å²	42	48%	0.475	20%	0.2	S	C	.	.	H	α-helix	trans	-73.1	-38.7	171	-71.4	174.6	-166.1	136.8	-6.7	111.4	T240 T241 F242 L246 V247 R248 F281	T240-R244 WeakPolarHBondContact O-CG 3.46Å; T241-R244 WeakPolarHBondContact O-CB 3.43Å; T241-R244 PolarHBondContact O-N 2.93Å; F242-R244 PolarHBondContact O-N 3.32Å; R244-L246 VanDerWaalsContact C-N 3.28Å; R244-L246 PolarHBondContact O-N 3.41Å; R244-V247 PolarHBondContact O-N 2.74Å; R244-R248 WeakPolarHBondContact O-CB 3.43Å; R244-R248 PolarHBondContact O-N 3.46Å; R244-F281 HydrophobicContact CG-CE2 4.05Å
245	H	98.3	Very high	97.1	Very high	30 Å²	30	46.3 Å²	46.3	14%	0.139	23%	0.228	C	C	.	.	H	α-helix	trans	-60.7	-40.9	175.8	-66.2	-77.1	0	0	0	110.7	T241 F242 V247 R248 N249 I250 F492 F496	T241-H245 PolarHBondContact O-CD2 3.39Å; T241-H245 VanDerWaalsContact O-CD2 3.24Å; T241-H245 PolarHBondContact O-N 2.71Å; F242-H245 WeakPolarHBondContact O-CA 3.35Å; F242-H245 WeakPolarHBondContact O-CB 3.15Å; F242-H245 PolarHBondContact O-N 2.6Å; H245-V247 VanDerWaalsContact C-N 3.31Å; H245-V247 PolarHBondContact O-N 2.78Å; H245-R248 PolarHBondContact O-N 3.4Å; H245-N249 HydrophobicContact CB-CB 3.94Å; H245-N249 PolarHBondContact ND1-ND2 3.15Å; H245-N249 WeakPolarHBondContact O-CA 3.48Å; H245-N249 VanDerWaalsContact O-CB 3.31Å; H245-N249 WeakPolarHBondContact O-CB 3.47Å; H245-N249 PolarHBondContact O-N 2.91Å; H245-I250 PolarHBondContact O-N 2.69Å; H245-F492 HydrophobicContact CB-CD1 4.25Å; H245-F492 HydrophobicContact CB-CE1 3.86Å; H245-F496 HydrophobicContact CB-CE1 3.67Å; H245-F496 HydrophobicContact CB-CZ 3.74Å; H245-F496 AromaticContact CD2-CE1 3.96Å; H245-F496 AromaticContact CE1-CD1 3.79Å; H245-F496 AromaticContact CG-CD1 3.96Å; H245-F496 AromaticContact CG-CE1 3.48Å; H245-F496 VanDerWaalsContact CG-CE1 3.48Å; H245-F496 AromaticContact CG-CZ 3.8Å; H245-F496 AromaticContact ND1-CD1 3.7Å; H245-F496 AromaticContact ND1-CE1 3.59Å
246	L	98.4	Very high	97	Very high	1 Å²	1	47 Å²	47	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-57.4	-38.2	175.2	-60.6	-179.6	0	0	0	113.8	F231 F242 R244 I250 L277 I361 F484	F231-L246 HydrophobicContact CB-CD1 4.09Å; F231-L246 HydrophobicContact CD1-CD1 3.95Å; F231-L246 HydrophobicContact CG-CD1 4.06Å; F242-L246 HydrophobicContact CD1-CD1 4.13Å; F242-L246 HydrophobicContact CD1-CG 4.3Å; F242-L246 HydrophobicContact CE1-CD1 3.8Å; F242-L246 HydrophobicContact CE1-CD2 3.95Å; F242-L246 HydrophobicContact CE1-CG 4Å; F242-L246 HydrophobicContact CZ-CD2 3.85Å; F242-L246 HydrophobicContact CZ-CG 4.34Å; F242-L246 PolarHBondContact O-N 3.23Å; F242-L246 VanDerWaalsContact O-N 3.11Å; R244-L246 VanDerWaalsContact C-N 3.28Å; R244-L246 PolarHBondContact O-N 3.41Å; L246-I250 HydrophobicContact CD2-CD1 4.11Å; L246-L277 HydrophobicContact CB-CD2 3.98Å; L246-L277 HydrophobicContact CD1-CD1 4.2Å; L246-I361 HydrophobicContact CD1-CD1 4.11Å; L246-I361 HydrophobicContact CD2-CD1 4.42Å; L246-F484 HydrophobicContact CD2-CE2 3.68Å; L246-F484 HydrophobicContact CD2-CZ 3.68Å
247	V	98	Very high	97	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.036	25%	0.246	C	C	.	.	H	α-helix	trans	-100.2	-4.8	-175.2	-56.7	0	0	0	0	115.3	R244 H245 C256 C258 C265 L277 F281	R244-V247 PolarHBondContact O-N 2.74Å; H245-V247 VanDerWaalsContact C-N 3.31Å; H245-V247 PolarHBondContact O-N 2.78Å; V247-C256 WeakPolarHBondContact O-CB 3.34Å; V247-C258 PolarHBondContact O-SG 2.77Å; V247-C265 HydrophobicContact CB-CB 4.44Å; V247-L277 HydrophobicContact CG1-CD2 3.66Å; V247-F281 HydrophobicContact CG1-CB 3.92Å; V247-F281 HydrophobicContact CG2-CB 4Å
248	R	97.3	Very high	96.9	Very high	156 Å²	156	51.5 Å²	51.5	59%	0.589	26%	0.258	S	S	*	.	H	α-helix	trans	-140.3	-13.3	-176.2	-72.3	173.8	-171.6	-161.3	-1.7	115.8	R244 H245 C258	R244-R248 WeakPolarHBondContact O-CB 3.43Å; R244-R248 PolarHBondContact O-N 3.46Å; H245-R248 PolarHBondContact O-N 3.4Å; R248-C258 HydrophobicContact CG-CB 4.45Å; R248-C258 VanDerWaalsContact CG-SG 3.59Å; R248-C258 PolarHBondContact NE-SG 2.76Å
249	N	97.9	Very high	96.7	Very high	15 Å²	15	57.2 Å²	57.2	8%	0.08	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.9	-6.2	-169.2	-163.5	45.3	0	0	0	113.6	H245 F492 I493 S494	H245-N249 HydrophobicContact CB-CB 3.94Å; H245-N249 PolarHBondContact ND1-ND2 3.15Å; H245-N249 WeakPolarHBondContact O-CA 3.48Å; H245-N249 VanDerWaalsContact O-CB 3.31Å; H245-N249 WeakPolarHBondContact O-CB 3.47Å; H245-N249 PolarHBondContact O-N 2.91Å; N249-F492 HydrophobicContact CB-CD1 4.01Å; N249-F492 CarbonylContact O-C 3.54Å; N249-F492 WeakPolarHBondContact O-CA 3.24Å; N249-F492 WeakPolarHBondContact O-CD1 3.31Å; N249-I493 PolarHBondContact O-N 3.21Å; N249-S494 PolarHBondContact ND2-O 3.33Å; N249-S494 WeakPolarHBondContact OD1-CB 3.03Å; N249-S494 PolarHBondContact OD1-N 3.32Å
250	I	97.8	Very high	96.5	Very high	7 Å²	7	64.4 Å²	64.4	4%	0.036	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-78.5	134.8	172.6	-58.1	178	0	0	0	108.8	H245 L246 L252 W276 F484 M490 F492	H245-I250 PolarHBondContact O-N 2.69Å; L246-I250 HydrophobicContact CD2-CD1 4.11Å; I250-L252 HydrophobicContact CB-CD1 4.42Å; I250-L252 HydrophobicContact CB-CD2 4.43Å; I250-L252 HydrophobicContact CB-CG 4.15Å; I250-L252 HydrophobicContact CG2-CD1 4.47Å; I250-L252 HydrophobicContact CG2-CD2 3.62Å; I250-L252 HydrophobicContact CG2-CG 3.81Å; I250-L252 PolarHBondContact O-N 3.34Å; I250-W276 HydrophobicContact CD1-CH2 4.2Å; I250-W276 HydrophobicContact CD1-CZ3 4.49Å; I250-F484 HydrophobicContact CD1-CE1 3.89Å; I250-F484 HydrophobicContact CD1-CZ 3.96Å; I250-M490 HydrophobicContact CD1-SD 4.13Å; I250-M490 HydrophobicContact CG2-CB 4.11Å; I250-M490 HydrophobicContact CG2-CG 4.39Å; I250-M490 HydrophobicContact CG2-SD 3.85Å; I250-F492 HydrophobicContact CD1-CE1 4.17Å; I250-F492 HydrophobicContact CG1-CD1 3.78Å; I250-F492 HydrophobicContact CG1-CE1 3.4Å; I250-F492 VanDerWaalsContact CG1-CE1 3.4Å; I250-F492 HydrophobicContact CG1-CZ 4.16Å
251	Q	97.1	Very high	96.1	Very high	125 Å²	125	66 Å²	66	58%	0.584	34%	0.34	S	S	*	.			trans	-74	112	171.5	-172.3	179.8	24.3	0	0	109.2	N491 I493	Q251-N491 PolarHBondContact N-O 3.31Å; Q251-I493 HydrophobicContact CB-CG1 4.01Å
252	L	96.1	Very high	95.8	Very high	34 Å²	34	68.4 Å²	68.4	18%	0.178	35%	0.348	C	S	.	.			trans	-132.3	147.3	-174.2	-63.6	175.3	0	0	0	111.1	I223 I250 Q254 W276	I223-L252 HydrophobicContact CD1-CD2 3.71Å; I250-L252 HydrophobicContact CB-CD1 4.42Å; I250-L252 HydrophobicContact CB-CD2 4.43Å; I250-L252 HydrophobicContact CB-CG 4.15Å; I250-L252 HydrophobicContact CG2-CD1 4.47Å; I250-L252 HydrophobicContact CG2-CD2 3.62Å; I250-L252 HydrophobicContact CG2-CG 3.81Å; I250-L252 PolarHBondContact O-N 3.34Å; L252-Q254 VanDerWaalsContact C-N 3.26Å; L252-Q254 PolarHBondContact O-N 2.66Å; L252-W276 HydrophobicContact CD1-CH2 4.02Å; L252-W276 HydrophobicContact CD1-CZ2 3.43Å; L252-W276 VanDerWaalsContact CD1-CZ2 3.43Å
253	E	94.3	Very high	95.4	Very high	141 Å²	141	77.2 Å²	77.2	66%	0.659	39%	0.386	S	S	*	.	S	Bend	trans	-58.2	-39	169	-178.5	-177.5	145.9	0	0	111.8	K224	K224-E253 WeakPolarHBondContact CE-OE1 3.07Å; K224-E253 WeakPolarHBondContact CE-OE2 3.49Å; K224-E253 IonicContact NZ-OE1 3.91Å; K224-E253 PolarHBondContact NZ-OE1 3.27Å; K224-E253 IonicContact NZ-OE2 3.62Å; K224-E253 PolarHBondContact NZ-OE2 3.37Å
254	Q	95.5	Very high	95.2	Very high	67 Å²	67	81.9 Å²	81.9	31%	0.313	41%	0.406	S	S	.	.	S	Bend	trans	-126.6	97.6	173.2	-169.3	-175.7	-90.3	0	0	109.1	L252 H268 R269 P270	L252-Q254 VanDerWaalsContact C-N 3.26Å; L252-Q254 PolarHBondContact O-N 2.66Å; Q254-H268 PolarHBondContact NE2-O 2.62Å; Q254-R269 PolarHBondContact NE2-O 2.82Å; Q254-P270 HydrophobicContact CB-CB 4.41Å; Q254-P270 HydrophobicContact CB-CG 4.12Å
255	P	96.8	Very high	95.2	Very high	91 Å²	91	76 Å²	76	59%	0.591	39%	0.385	S	S	*	.			trans	-63.1	159.6	176.4	-23.7	35	0	0	0	113.3
256	C	97.3	Very high	95.1	Very high	18 Å²	18	76.4 Å²	76.4	12%	0.122	39%	0.389	C	S	.	.			trans	-71.9	135.3	174.8	-54.1	0	0	0	0	112.3	V247 C258 C265 T266 C267	V247-C256 WeakPolarHBondContact O-CB 3.34Å; C256-C258 PolarHBondContact O-N 3.42Å; C256-C258 VanDerWaalsContact O-N 3.1Å; C256-C265 HydrophobicContact CB-CB 4.22Å; C256-T266 CarbonylContact C-O 3.6Å; C256-T266 VanDerWaalsContact CA-O 3.25Å; C256-T266 WeakPolarHBondContact CA-O 3.49Å; C256-C267 HydrophobicContact CB-CB 4.04Å; C256-C267 WeakPolarHBondContact CB-SG 3.41Å; C256-C267 WeakPolarHBondContact SG-CA 3.32Å; C256-C267 WeakPolarHBondContact SG-CB 3.48Å; C256-C267 CovalentContact SG-SG 2.04Å; C256-C267 PolarHBondContact SG-SG 3.38Å
257	E	96.8	Very high	95.1	Very high	99 Å²	99	76.5 Å²	76.5	46%	0.463	39%	0.39	S	S	.	.	B	Isolated β-bridge	trans	-72.9	102.7	171.4	-63.5	177.8	-144.2	0	0	111	R259 C265 T266	E257-R259 IonicContact OE2-CZ 3.21Å; E257-R259 IonicContact OE2-NE 2.78Å; E257-R259 IonicContact OE2-NH2 2.7Å; E257-R259 PolarHBondContact OE2-NH2 2.64Å; E257-C265 CarbonylContact O-C 3.51Å; E257-C265 WeakPolarHBondContact O-CA 3.28Å; E257-C265 WeakPolarHBondContact O-CB 3.12Å; E257-T266 PolarHBondContact N-O 2.78Å; E257-T266 PolarHBondContact O-N 3.02Å
258	C	96.1	Very high	95	Very high	36 Å²	36	78.9 Å²	78.9	24%	0.243	40%	0.401	C	S	.	.			trans	-101.6	90	173.9	-74.6	0	0	0	0	112	V247 R248 C256 C265	V247-C258 PolarHBondContact O-SG 2.77Å; R248-C258 HydrophobicContact CG-CB 4.45Å; R248-C258 VanDerWaalsContact CG-SG 3.59Å; R248-C258 PolarHBondContact NE-SG 2.76Å; C256-C258 PolarHBondContact O-N 3.42Å; C256-C258 VanDerWaalsContact O-N 3.1Å; C258-C265 WeakPolarHBondContact CA-SG 3.43Å; C258-C265 HydrophobicContact CB-CB 3.99Å; C258-C265 WeakPolarHBondContact CB-SG 3.4Å; C258-C265 WeakPolarHBondContact SG-CB 3.3Å; C258-C265 CovalentContact SG-SG 2.03Å; C258-C265 PolarHBondContact SG-SG 2.96Å
259	R	93	Very high	94.9	Very high	145 Å²	145	71.6 Å²	71.6	55%	0.547	37%	0.373	S	S	.	.			trans	-69.3	140.8	178.7	-60.4	-176.9	-173.2	-157.6	-0.8	111.9	E257 Q262	E257-R259 IonicContact OE2-CZ 3.21Å; E257-R259 IonicContact OE2-NE 2.78Å; E257-R259 IonicContact OE2-NH2 2.7Å; E257-R259 PolarHBondContact OE2-NH2 2.64Å; R259-Q262 HydrophobicContact CB-CB 4.31Å; R259-Q262 HydrophobicContact CB-CG 4.08Å; R259-Q262 PolarHBondContact O-N 2.88Å
260	V	89.4	Confident	94.8	Very high	153 Å²	153	71.8 Å²	71.8	93%	0.927	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	143.5	177.2	-177.1	0	0	0	0	110.1	Q262	V260-Q262 PolarHBondContact O-N 3.1Å
261	G	87.7	Confident	94.4	Very high	79 Å²	79	75.3 Å²	75.3	81%	0.814	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.1	-25.1	-174	0	0	0	0	0	115
262	Q	89.8	Confident	94.2	Very high	105 Å²	105	73.2 Å²	73.2	49%	0.491	40%	0.402	S	S	.	.			trans	-79.6	130.6	178	-61.4	-167.6	-9.1	0	0	111.5	R259 V260 K264	R259-Q262 HydrophobicContact CB-CB 4.31Å; R259-Q262 HydrophobicContact CB-CG 4.08Å; R259-Q262 PolarHBondContact O-N 2.88Å; V260-Q262 PolarHBondContact O-N 3.1Å; Q262-K264 PolarHBondContact O-N 3.47Å
263	K	90.1	Very high	93.9	Very high	188 Å²	188	82.5 Å²	82.5	82%	0.817	44%	0.435	S	S	*	.	S	Bend	trans	-80	-3.7	175.7	-69.4	175.2	-178.9	170.1	0	113.2	F281	K263-F281 WeakPolarHBondContact O-CD1 3.3Å
264	K	95.4	Very high	93.7	Very high	97 Å²	97	79.2 Å²	79.2	42%	0.422	42%	0.419	S	S	.	.			trans	-129	137.6	-178	-159.1	-168.1	81.6	134.8	0	108.7	Q262 S282	Q262-K264 PolarHBondContact O-N 3.47Å; K264-S282 WeakPolarHBondContact CD-O 3.3Å; K264-S282 VanDerWaalsContact CE-O 3.3Å; K264-S282 WeakPolarHBondContact CE-O 3.18Å; K264-S282 VanDerWaalsContact CG-O 3.3Å; K264-S282 WeakPolarHBondContact CG-O 3.46Å; K264-S282 PolarHBondContact NZ-O 2.92Å; K264-S282 VanDerWaalsContact NZ-O 3.08Å
265	C	96.8	Very high	93.7	Very high	4 Å²	4	77.6 Å²	77.6	3%	0.027	41%	0.414	C	S	.	.			trans	-106.3	161.5	174.4	-50.6	0	0	0	0	110.4	V247 C256 E257 C258 F281 S282	V247-C265 HydrophobicContact CB-CB 4.44Å; C256-C265 HydrophobicContact CB-CB 4.22Å; E257-C265 CarbonylContact O-C 3.51Å; E257-C265 WeakPolarHBondContact O-CA 3.28Å; E257-C265 WeakPolarHBondContact O-CB 3.12Å; C258-C265 WeakPolarHBondContact CA-SG 3.43Å; C258-C265 HydrophobicContact CB-CB 3.99Å; C258-C265 WeakPolarHBondContact CB-SG 3.4Å; C258-C265 WeakPolarHBondContact SG-CB 3.3Å; C258-C265 CovalentContact SG-SG 2.03Å; C258-C265 PolarHBondContact SG-SG 2.96Å; C265-F281 PolarHBondContact N-O 3.4Å; C265-S282 WeakPolarHBondContact O-CA 3.37Å
266	T	96.6	Very high	93.7	Very high	38 Å²	38	73.3 Å²	73.3	23%	0.233	39%	0.386	C	S	.	.	B	Isolated β-bridge	trans	-99.6	101.1	176.5	-51.6	0	0	0	0	109.4	C256 E257 H268	C256-T266 CarbonylContact C-O 3.6Å; C256-T266 VanDerWaalsContact CA-O 3.25Å; C256-T266 WeakPolarHBondContact CA-O 3.49Å; E257-T266 PolarHBondContact N-O 2.78Å; E257-T266 PolarHBondContact O-N 3.02Å; T266-H268 WeakPolarHBondContact CG2-CE1 3.47Å; T266-H268 WeakPolarHBondContact CG2-ND1 3.03Å; T266-H268 VanDerWaalsContact CG2-NE2 3.29Å; T266-H268 WeakPolarHBondContact CG2-NE2 3.45Å; T266-H268 PolarHBondContact O-N 3.5Å
267	C	97	Very high	93.7	Very high	2 Å²	2	72.4 Å²	72.4	1%	0.014	38%	0.38	C	S	.	.			trans	-100.1	68.9	-179.2	-67.5	0	0	0	0	111.5	C256 T275 W276 L277	C256-C267 HydrophobicContact CB-CB 4.04Å; C256-C267 WeakPolarHBondContact CB-SG 3.41Å; C256-C267 WeakPolarHBondContact SG-CA 3.32Å; C256-C267 WeakPolarHBondContact SG-CB 3.48Å; C256-C267 CovalentContact SG-SG 2.04Å; C256-C267 PolarHBondContact SG-SG 3.38Å; C267-T275 VanDerWaalsContact O-CA 3.31Å; C267-T275 WeakPolarHBondContact O-CA 3.42Å; C267-T275 PolarHBondContact O-OG1 3.48Å; C267-T275 VanDerWaalsContact O-OG1 3.12Å; C267-W276 HydrophobicContact CB-CZ2 4.12Å; C267-W276 VanDerWaalsContact O-CD1 3.3Å; C267-W276 PolarHBondContact O-N 3.05Å; C267-W276 PolarHBondContact O-NE1 3.33Å; C267-L277 HydrophobicContact CB-CB 4.32Å
268	H	96.1	Very high	93.8	Very high	57 Å²	57	68 Å²	68	26%	0.264	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-79.9	153.4	179.3	-67.5	159.6	0	0	0	113.2	Q254 T266 R273 E274 W276	Q254-H268 PolarHBondContact NE2-O 2.62Å; T266-H268 WeakPolarHBondContact CG2-CE1 3.47Å; T266-H268 WeakPolarHBondContact CG2-ND1 3.03Å; T266-H268 VanDerWaalsContact CG2-NE2 3.29Å; T266-H268 WeakPolarHBondContact CG2-NE2 3.45Å; T266-H268 PolarHBondContact O-N 3.5Å; H268-R273 PolarHBondContact CD2-O 2.85Å; H268-R273 PolarHBondContact NE2-O 3.49Å; H268-E274 CarbonylContact C-O 3.58Å; H268-E274 WeakPolarHBondContact CA-O 3.3Å; H268-W276 PolarHBondContact O-NE1 2.91Å
269	R	95.6	Very high	93.9	Very high	2 Å²	2	66.5 Å²	66.5	1%	0.008	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-64.5	149.2	167.5	-53.8	-175.2	-178.5	-75.7	2.4	110.3	I223 G225 D226 D227 Q254 G271 K272 E274 W276	I223-R269 VanDerWaalsContact O-CB 3.3Å; I223-R269 WeakPolarHBondContact O-CB 3.37Å; I223-R269 VanDerWaalsContact O-CD 3.28Å; I223-R269 WeakPolarHBondContact O-CD 3.32Å; I223-R269 WeakPolarHBondContact O-CG 3.29Å; I223-R269 PolarHBondContact O-NH1 2.71Å; G225-R269 VanDerWaalsContact O-CD 3.3Å; G225-R269 WeakPolarHBondContact O-CD 3.19Å; G225-R269 PolarHBondContact O-NE 2.82Å; G225-R269 PolarHBondContact O-NH1 2.76Å; D226-R269 PolarHBondContact O-NH2 2.99Å; D226-R269 VanDerWaalsContact O-NH2 3.1Å; D227-R269 VanDerWaalsContact O-CZ 3.26Å; D227-R269 PolarHBondContact O-NH1 3.05Å; D227-R269 PolarHBondContact O-NH2 2.88Å; Q254-R269 PolarHBondContact NE2-O 2.82Å; R269-G271 PolarHBondContact O-N 3.3Å; R269-K272 HydrophobicContact CB-CB 4.22Å; R269-K272 HydrophobicContact CB-CD 4.42Å; R269-K272 PolarHBondContact O-N 2.91Å; R269-E274 PolarHBondContact N-O 2.84Å; R269-W276 HydrophobicContact CG-CB 4.18Å
270	P	95.1	Very high	94.1	Very high	20 Å²	20	63.4 Å²	63.4	13%	0.13	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	122.4	173.1	-27.8	36	0	0	0	111.9	K224 Q254 K272	K224-P270 HydrophobicContact CD-CB 4.49Å; K224-P270 HydrophobicContact CG-CB 4.32Å; K224-P270 HydrophobicContact CG-CG 4.12Å; Q254-P270 HydrophobicContact CB-CB 4.41Å; Q254-P270 HydrophobicContact CB-CG 4.12Å; P270-K272 PolarHBondContact O-N 3.3Å; P270-K272 VanDerWaalsContact O-N 3.16Å
271	G	90.9	Very high	94.5	Very high	80 Å²	80	57.3 Å²	57.3	83%	0.825	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	-1.4	176.5	0	0	0	0	0	117.4	R269	R269-G271 PolarHBondContact O-N 3.3Å
272	K	91.4	Very high	94.9	Very high	81 Å²	81	53.8 Å²	53.8	35%	0.352	26%	0.262	S	S	.	.	S	Bend	trans	-115.4	165.1	176	-60.6	174.2	172	177.2	0	111.1	K224 G225 R269 P270	K224-K272 WeakPolarHBondContact O-CE 3.4Å; K224-K272 PolarHBondContact O-NZ 3.5Å; G225-K272 PolarHBondContact O-NZ 3.45Å; R269-K272 HydrophobicContact CB-CB 4.22Å; R269-K272 HydrophobicContact CB-CD 4.42Å; R269-K272 PolarHBondContact O-N 2.91Å; P270-K272 PolarHBondContact O-N 3.3Å; P270-K272 VanDerWaalsContact O-N 3.16Å
273	R	89.6	Confident	95.2	Very high	229 Å²	229	50.1 Å²	50.1	86%	0.864	25%	0.246	S	C	*	.	S	Bend	trans	-97.3	12.7	172.3	-58.5	-174.5	73.9	171.9	4.8	113.5	H268	H268-R273 PolarHBondContact CD2-O 2.85Å; H268-R273 PolarHBondContact NE2-O 3.49Å
274	E	91.8	Very high	95.5	Very high	73 Å²	73	41.9 Å²	41.9	34%	0.341	21%	0.214	S	C	.	.	S	Bend	trans	-93.3	151.7	177.4	-66.8	-174.7	-106.5	0	0	111.4	H268 R269 K356	H268-E274 CarbonylContact C-O 3.58Å; H268-E274 WeakPolarHBondContact CA-O 3.3Å; R269-E274 PolarHBondContact N-O 2.84Å; E274-K356 IonicContact OE2-NZ 3.41Å; E274-K356 PolarHBondContact OE2-NZ 2.87Å
275	T	94.8	Very high	95.5	Very high	33 Å²	33	41.3 Å²	41.3	20%	0.202	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-90.3	141.8	177.4	-172.2	0	0	0	0	112	L228 C267 L277 T283	L228-T275 HydrophobicContact CD1-CG2 4.16Å; L228-T275 WeakPolarHBondContact CD1-O 3.45Å; C267-T275 VanDerWaalsContact O-CA 3.31Å; C267-T275 WeakPolarHBondContact O-CA 3.42Å; C267-T275 PolarHBondContact O-OG1 3.48Å; C267-T275 VanDerWaalsContact O-OG1 3.12Å; T275-L277 PolarHBondContact OG1-N 3.34Å; T275-L277 PolarHBondContact OG1-O 2.96Å; T275-T283 HydrophobicContact CG2-CG2 3.92Å
276	W	96.4	Very high	95.4	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	S	Bend	trans	-95.8	-6	168.9	58.8	-93.8	0	0	0	112.9	F221 I223 L228 I229 I250 L252 C267 H268 R269	F221-W276 HydrophobicContact CZ-CB 4.34Å; F221-W276 HydrophobicContact CZ-CE3 4.39Å; I223-W276 HydrophobicContact CD1-CD2 3.93Å; I223-W276 HydrophobicContact CD1-CG 3.92Å; I223-W276 HydrophobicContact CG1-CB 3.89Å; I223-W276 HydrophobicContact CG1-CD2 4.17Å; I223-W276 HydrophobicContact CG1-CG 3.69Å; L228-W276 VanDerWaalsContact CD1-C 3.49Å; I229-W276 HydrophobicContact CD1-CZ3 4.41Å; I229-W276 PolarHBondContact N-O 3.01Å; I250-W276 HydrophobicContact CD1-CH2 4.2Å; I250-W276 HydrophobicContact CD1-CZ3 4.49Å; L252-W276 HydrophobicContact CD1-CH2 4.02Å; L252-W276 HydrophobicContact CD1-CZ2 3.43Å; L252-W276 VanDerWaalsContact CD1-CZ2 3.43Å; C267-W276 HydrophobicContact CB-CZ2 4.12Å; C267-W276 VanDerWaalsContact O-CD1 3.3Å; C267-W276 PolarHBondContact O-N 3.05Å; C267-W276 PolarHBondContact O-NE1 3.33Å; H268-W276 PolarHBondContact O-NE1 2.91Å; R269-W276 HydrophobicContact CG-CB 4.18Å
277	L	97.9	Very high	95.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	121.5	-178.2	-178.7	64.7	0	0	0	111.5	I229 L246 V247 C267 T275 S282	I229-L277 HydrophobicContact CB-CD1 3.89Å; I229-L277 HydrophobicContact CG2-CD1 3.68Å; L246-L277 HydrophobicContact CB-CD2 3.98Å; L246-L277 HydrophobicContact CD1-CD1 4.2Å; V247-L277 HydrophobicContact CG1-CD2 3.66Å; C267-L277 HydrophobicContact CB-CB 4.32Å; T275-L277 PolarHBondContact OG1-N 3.34Å; T275-L277 PolarHBondContact OG1-O 2.96Å; L277-S282 WeakPolarHBondContact O-CB 3.45Å; L277-S282 PolarHBondContact O-OG 2.96Å
278	F	98.1	Very high	95.3	Very high	7 Å²	7	42.2 Å²	42.2	3%	0.031	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	113.3	166.6	-164.3	-76.6	0	0	0	109.6	L228 I229 V230 F231 T283 C287 L296 V300 V303 V304	L228-F278 HydrophobicContact CD2-CB 4.03Å; L228-F278 HydrophobicContact CG-CB 4.38Å; I229-F278 PolarHBondContact O-N 3.28Å; V230-F278 HydrophobicContact CG1-CB 4.35Å; V230-F278 HydrophobicContact CG1-CD1 4.25Å; V230-F278 HydrophobicContact CG2-CB 4.26Å; F231-F278 PolarHBondContact N-O 3.15Å; F278-T283 HydrophobicContact CB-CG2 4.47Å; F278-T283 HydrophobicContact CD2-CG2 3.7Å; F278-T283 HydrophobicContact CE2-CG2 4.14Å; F278-T283 HydrophobicContact CG-CG2 4.16Å; F278-T283 WeakPolarHBondContact CG-OG1 3.34Å; F278-C287 HydrophobicContact CZ-CB 4.36Å; F278-L296 HydrophobicContact CD1-CD2 4.4Å; F278-L296 HydrophobicContact CE1-CD2 3.92Å; F278-V300 HydrophobicContact CD1-CG2 4.01Å; F278-V300 HydrophobicContact CD2-CG1 4.03Å; F278-V300 HydrophobicContact CD2-CG2 4.31Å; F278-V300 HydrophobicContact CE1-CG2 3.83Å; F278-V300 HydrophobicContact CE2-CG1 4.39Å; F278-V300 HydrophobicContact CE2-CG2 4.14Å; F278-V300 HydrophobicContact CG-CG1 4.25Å; F278-V300 HydrophobicContact CG-CG2 4.26Å; F278-V300 HydrophobicContact CZ-CG2 3.9Å; F278-V303 HydrophobicContact CE2-CG1 4.11Å; F278-V304 HydrophobicContact CD2-CG2 4.15Å
279	S	98.3	Very high	95.4	Very high	3 Å²	3	41.3 Å²	41.3	2%	0.021	22%	0.215	C	C	.	.	S	Bend	trans	-164.8	163.1	-177.9	79.3	0	0	0	0	111.9	F281 S282 T283 G284	S279-F281 PolarHBondContact O-N 3.49Å; S279-F281 PolarHBondContact OG-N 3.46Å; S279-S282 PolarHBondContact N-OG 3.48Å; S279-S282 VanDerWaalsContact N-OG 3.12Å; S279-S282 PolarHBondContact O-N 3.08Å; S279-S282 PolarHBondContact O-OG 2.92Å; S279-S282 PolarHBondContact OG-N 3.33Å; S279-S282 PolarHBondContact OG-OG 2.9Å; S279-T283 PolarHBondContact N-OG1 2.85Å; S279-T283 PolarHBondContact O-N 3.39Å; S279-T283 PolarHBondContact O-OG1 3.34Å; S279-G284 PolarHBondContact O-N 2.94Å
280	R	97.5	Very high	95.5	Very high	80 Å²	80	41.9 Å²	41.9	30%	0.302	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-43.4	-36.5	168.2	179.1	-171.1	-177.5	-163.2	7.9	113.9	T240 G284 W285	T240-R280 PolarHBondContact OG1-NH1 3.06Å; R280-G284 WeakPolarHBondContact O-CA 3.17Å; R280-W285 HydrophobicContact CB-CD2 4.42Å; R280-W285 HydrophobicContact CB-CE3 4.39Å; R280-W285 HydrophobicContact CB-CH2 3.98Å; R280-W285 HydrophobicContact CB-CZ2 3.99Å; R280-W285 HydrophobicContact CB-CZ3 4.16Å; R280-W285 HydrophobicContact CG-CD2 4.32Å; R280-W285 HydrophobicContact CG-CH2 4.17Å; R280-W285 HydrophobicContact CG-CZ2 3.65Å
281	F	97.6	Very high	95.6	Very high	26 Å²	26	41.2 Å²	41.2	11%	0.114	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	0.9	-173	-63.5	-45.6	0	0	0	114.2	T240 R244 V247 K263 C265 S279	T240-F281 HydrophobicContact CG2-CZ 4.31Å; R244-F281 HydrophobicContact CG-CE2 4.05Å; V247-F281 HydrophobicContact CG1-CB 3.92Å; V247-F281 HydrophobicContact CG2-CB 4Å; K263-F281 WeakPolarHBondContact O-CD1 3.3Å; C265-F281 PolarHBondContact N-O 3.4Å; S279-F281 PolarHBondContact O-N 3.49Å; S279-F281 PolarHBondContact OG-N 3.46Å
282	S	96.7	Very high	96	Very high	5 Å²	5	37.5 Å²	37.5	4%	0.035	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-57.7	177.6	55.6	0	0	0	0	112.8	K264 C265 L277 S279	K264-S282 WeakPolarHBondContact CD-O 3.3Å; K264-S282 VanDerWaalsContact CE-O 3.3Å; K264-S282 WeakPolarHBondContact CE-O 3.18Å; K264-S282 VanDerWaalsContact CG-O 3.3Å; K264-S282 WeakPolarHBondContact CG-O 3.46Å; K264-S282 PolarHBondContact NZ-O 2.92Å; K264-S282 VanDerWaalsContact NZ-O 3.08Å; C265-S282 WeakPolarHBondContact O-CA 3.37Å; L277-S282 WeakPolarHBondContact O-CB 3.45Å; L277-S282 PolarHBondContact O-OG 2.96Å; S279-S282 PolarHBondContact N-OG 3.48Å; S279-S282 VanDerWaalsContact N-OG 3.12Å; S279-S282 PolarHBondContact O-N 3.08Å; S279-S282 PolarHBondContact O-OG 2.92Å; S279-S282 PolarHBondContact OG-N 3.33Å; S279-S282 PolarHBondContact OG-OG 2.9Å
283	T	95.7	Very high	96.4	Very high	28 Å²	28	35.7 Å²	35.7	17%	0.172	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-35	174.3	47	0	0	0	0	111.5	T275 F278 S279 S286	T275-T283 HydrophobicContact CG2-CG2 3.92Å; F278-T283 HydrophobicContact CB-CG2 4.47Å; F278-T283 HydrophobicContact CD2-CG2 3.7Å; F278-T283 HydrophobicContact CE2-CG2 4.14Å; F278-T283 HydrophobicContact CG-CG2 4.16Å; F278-T283 WeakPolarHBondContact CG-OG1 3.34Å; S279-T283 PolarHBondContact N-OG1 2.85Å; S279-T283 PolarHBondContact O-N 3.39Å; S279-T283 PolarHBondContact O-OG1 3.34Å; T283-S286 PolarHBondContact O-OG 3.49Å
284	G	95.8	Very high	96.8	Very high	14 Å²	14	25.1 Å²	25.1	14%	0.144	13%	0.127	C	C	.	.			trans	101.2	-153.5	-173.2	0	0	0	0	0	111.2	S279 R280 S286	S279-G284 PolarHBondContact O-N 2.94Å; R280-G284 WeakPolarHBondContact O-CA 3.17Å; G284-S286 VanDerWaalsContact C-N 3.3Å; G284-S286 PolarHBondContact O-N 2.99Å
285	W	95.9	Very high	97.1	Very high	86 Å²	86	21.8 Å²	21.8	33%	0.326	11%	0.112	S	C	.	.	S	Bend	trans	-94.6	49.1	175.4	-65.9	133.7	0	0	0	111.4	H233 R280 C287 G288 L289 H290	H233-W285 HydrophobicContact CB-CH2 4.32Å; H233-W285 AromaticContact ND1-CH2 3.63Å; R280-W285 HydrophobicContact CB-CD2 4.42Å; R280-W285 HydrophobicContact CB-CE3 4.39Å; R280-W285 HydrophobicContact CB-CH2 3.98Å; R280-W285 HydrophobicContact CB-CZ2 3.99Å; R280-W285 HydrophobicContact CB-CZ3 4.16Å; R280-W285 HydrophobicContact CG-CD2 4.32Å; R280-W285 HydrophobicContact CG-CH2 4.17Å; R280-W285 HydrophobicContact CG-CZ2 3.65Å; W285-C287 PolarHBondContact O-N 3.24Å; W285-G288 WeakPolarHBondContact CB-O 3.46Å; W285-G288 PolarHBondContact O-N 3.43Å; W285-G288 VanDerWaalsContact O-N 3.16Å; W285-L289 HydrophobicContact CD2-CD1 4.16Å; W285-L289 HydrophobicContact CG-CD1 4.22Å; W285-L289 HydrophobicContact CZ2-CD1 3.93Å; W285-H290 VanDerWaalsContact CE3-N 3.34Å; W285-H290 HydrophobicContact CH2-CB 4.18Å; W285-H290 AromaticContact CH2-CD2 3.75Å; W285-H290 AromaticContact CH2-CE1 3.96Å; W285-H290 AromaticContact CH2-CG 3.61Å; W285-H290 AromaticContact CH2-ND1 3.75Å; W285-H290 AromaticContact CH2-NE2 3.97Å; W285-H290 AromaticContact CZ2-CD2 3.56Å; W285-H290 AromaticContact CZ2-CG 3.94Å; W285-H290 AromaticContact CZ2-NE2 3.69Å; W285-H290 VanDerWaalsContact CZ3-CA 3.46Å
286	S	94.9	Very high	97.2	Very high	49 Å²	49	20.5 Å²	20.5	34%	0.343	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.3	-172	-51.3	0	0	0	0	114.6	T283 G284	T283-S286 PolarHBondContact O-OG 3.49Å; G284-S286 VanDerWaalsContact C-N 3.3Å; G284-S286 PolarHBondContact O-N 2.99Å
287	C	95.9	Very high	97.2	Very high	8 Å²	8	22.6 Å²	22.6	5%	0.054	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	17.6	175.8	-69.1	0	0	0	0	112.8	F278 W285 A291 L296 C299	F278-C287 HydrophobicContact CZ-CB 4.36Å; W285-C287 PolarHBondContact O-N 3.24Å; C287-A291 HydrophobicContact CB-CB 4.27Å; C287-A291 WeakPolarHBondContact O-CB 3.11Å; C287-L296 HydrophobicContact CB-CD2 4.18Å; C287-C299 WeakPolarHBondContact CA-SG 3.45Å; C287-C299 HydrophobicContact CB-CB 3.58Å; C287-C299 WeakPolarHBondContact CB-SG 3.49Å; C287-C299 WeakPolarHBondContact SG-CB 3.49Å; C287-C299 CovalentContact SG-SG 2.03Å; C287-C299 PolarHBondContact SG-SG 2.89Å
288	G	95.2	Very high	97	Very high	6 Å²	6	25.6 Å²	25.6	6%	0.062	14%	0.138	C	C	.	.			trans	115.4	155.1	-175.1	0	0	0	0	0	113.6	W285 H290	W285-G288 WeakPolarHBondContact CB-O 3.46Å; W285-G288 PolarHBondContact O-N 3.43Å; W285-G288 VanDerWaalsContact O-N 3.16Å; G288-H290 PolarHBondContact O-N 3.19Å
289	L	97.6	Very high	96.9	Very high	38 Å²	38	25.6 Å²	25.6	20%	0.199	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	119.4	174.6	169.9	62.1	0	0	0	109.4	W285 A291 W384 A386 S387	W285-L289 HydrophobicContact CD2-CD1 4.16Å; W285-L289 HydrophobicContact CG-CD1 4.22Å; W285-L289 HydrophobicContact CZ2-CD1 3.93Å; L289-A291 PolarHBondContact O-N 2.68Å; L289-W384 HydrophobicContact CD2-CB 4.12Å; L289-A386 WeakPolarHBondContact CB-O 3.15Å; L289-A386 HydrophobicContact CD2-CB 4.1Å; L289-S387 WeakPolarHBondContact O-CB 3.44Å; L289-S387 PolarHBondContact O-OG 2.68Å
290	H	98.1	Very high	96.7	Very high	14 Å²	14	25.4 Å²	25.4	7%	0.065	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	41.9	-174	-75.7	-91.4	0	0	0	112.9	H233 Q235 W285 G288 D292 W384 M433	H233-H290 AromaticContact CE1-CE1 3.44Å; H233-H290 PolarHBondContact CE1-CE1 3.13Å; H233-H290 VanDerWaalsContact CE1-CE1 3.44Å; H233-H290 AromaticContact CG-CE1 3.99Å; H233-H290 AromaticContact ND1-CE1 3.57Å; H233-H290 AromaticContact ND1-ND1 3.98Å; H233-H290 AromaticContact NE2-CE1 3.81Å; H233-H290 PolarHBondContact O-ND1 3.45Å; Q235-H290 VanDerWaalsContact NE2-CB 3.25Å; W285-H290 VanDerWaalsContact CE3-N 3.34Å; W285-H290 HydrophobicContact CH2-CB 4.18Å; W285-H290 AromaticContact CH2-CD2 3.75Å; W285-H290 AromaticContact CH2-CE1 3.96Å; W285-H290 AromaticContact CH2-CG 3.61Å; W285-H290 AromaticContact CH2-ND1 3.75Å; W285-H290 AromaticContact CH2-NE2 3.97Å; W285-H290 AromaticContact CZ2-CD2 3.56Å; W285-H290 AromaticContact CZ2-CG 3.94Å; W285-H290 AromaticContact CZ2-NE2 3.69Å; W285-H290 VanDerWaalsContact CZ3-CA 3.46Å; G288-H290 PolarHBondContact O-N 3.19Å; H290-D292 PolarHBondContact O-N 2.94Å; H290-W384 AromaticContact CD2-CD1 3.39Å; H290-W384 AromaticContact CD2-NE1 3.42Å; H290-W384 PolarHBondContact CD2-NE1 2.8Å; H290-W384 AromaticContact NE2-CD1 3.8Å; H290-W384 AromaticContact NE2-NE1 3.31Å; H290-W384 PolarHBondContact NE2-NE1 2.98Å; H290-M433 HydrophobicContact CB-CE 4.43Å; H290-M433 WeakPolarHBondContact O-CE 3.31Å
291	A	98.4	Very high	96.5	Very high	5 Å²	5	22.9 Å²	22.9	4%	0.041	13%	0.131	C	C	.	.			trans	-49.1	130	177.5	0	0	0	0	0	112.3	C287 L289 E295 L296	C287-A291 HydrophobicContact CB-CB 4.27Å; C287-A291 WeakPolarHBondContact O-CB 3.11Å; L289-A291 PolarHBondContact O-N 2.68Å; A291-E295 VanDerWaalsContact CA-OE2 3.3Å; A291-E295 WeakPolarHBondContact CA-OE2 3.22Å; A291-E295 HydrophobicContact CB-CB 3.96Å; A291-L296 HydrophobicContact CB-CD2 3.84Å; A291-L296 HydrophobicContact CB-CG 3.9Å; A291-L296 WeakPolarHBondContact O-CD1 3.44Å
292	D	98.6	Very high	96.1	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.016	14%	0.14	C	C	.	.			trans	-88.2	-172.3	-177.9	69.2	36.4	0	0	0	113.8	H290 T294 E295 L296 M433	H290-D292 PolarHBondContact O-N 2.94Å; D292-T294 VanDerWaalsContact C-N 3.32Å; D292-T294 PolarHBondContact O-N 2.63Å; D292-T294 WeakPolarHBondContact OD1-CA 3.45Å; D292-T294 WeakPolarHBondContact OD1-CB 3.45Å; D292-T294 PolarHBondContact OD1-N 3.27Å; D292-E295 PolarHBondContact N-OE2 3.32Å; D292-E295 PolarHBondContact O-N 3Å; D292-E295 PolarHBondContact OD1-N 3.42Å; D292-L296 VanDerWaalsContact O-CB 3.23Å; D292-L296 WeakPolarHBondContact O-CB 3.43Å; D292-L296 WeakPolarHBondContact O-CG 3.42Å; D292-L296 PolarHBondContact O-N 3.45Å; D292-M433 HydrophobicContact CB-CB 3.83Å; D292-M433 HydrophobicContact CB-CE 4.08Å; D292-M433 HydrophobicContact CB-CG 3.94Å
293	W	98.8	Very high	95.7	Very high	42 Å²	42	24.9 Å²	24.9	16%	0.159	15%	0.147	C	C	.	.	H	α-helix	trans	-60.4	-40.1	-179.7	-175.9	100	0	0	0	112.4	L232 T297 M433 D436 N464	L232-W293 HydrophobicContact CD1-CB 3.9Å; W293-T297 HydrophobicContact CD2-CG2 3.94Å; W293-T297 HydrophobicContact CE3-CG2 4.32Å; W293-T297 HydrophobicContact CG-CG2 4.43Å; W293-T297 HydrophobicContact CH2-CG2 4.25Å; W293-T297 HydrophobicContact CZ2-CG2 3.89Å; W293-T297 HydrophobicContact CZ3-CG2 4.43Å; W293-T297 WeakPolarHBondContact O-CB 3.14Å; W293-T297 VanDerWaalsContact O-CG2 3.32Å; W293-T297 WeakPolarHBondContact O-CG2 3.44Å; W293-T297 PolarHBondContact O-N 2.98Å; W293-T297 PolarHBondContact O-OG1 3.41Å; W293-M433 PolarHBondContact N-O 2.92Å; W293-D436 HydrophobicContact CE3-CB 3.92Å; W293-D436 HydrophobicContact CH2-CB 3.92Å; W293-D436 HydrophobicContact CZ3-CB 3.37Å; W293-D436 VanDerWaalsContact CZ3-CG 3.44Å; W293-D436 WeakPolarHBondContact CZ3-OD2 3.36Å; W293-N464 VanDerWaalsContact CE2-CG 3.47Å; W293-N464 PolarHBondContact NE1-ND2 2.97Å
294	T	98.3	Very high	95.3	Very high	8 Å²	8	25 Å²	25	5%	0.049	15%	0.148	C	C	.	.	H	α-helix	trans	-72.8	-41.7	-178.2	-55.8	0	0	0	0	110.4	D292 S298 C391 S435 L437 T438	D292-T294 VanDerWaalsContact C-N 3.32Å; D292-T294 PolarHBondContact O-N 2.63Å; D292-T294 WeakPolarHBondContact OD1-CA 3.45Å; D292-T294 WeakPolarHBondContact OD1-CB 3.45Å; D292-T294 PolarHBondContact OD1-N 3.27Å; T294-S298 WeakPolarHBondContact O-CB 3Å; T294-S298 PolarHBondContact O-OG 3.5Å; T294-C391 HydrophobicContact CG2-CB 4.27Å; T294-S435 PolarHBondContact OG1-O 2.94Å; T294-L437 HydrophobicContact CG2-CB 4.46Å; T294-L437 PolarHBondContact OG1-N 3.03Å; T294-T438 HydrophobicContact CG2-CG2 4.12Å
295	E	97.8	Very high	94.6	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.014	15%	0.153	C	C	.	.	H	α-helix	trans	-66.4	-40.3	174.6	-68.4	-175.4	110.6	0	0	112.4	A291 D292 S298 C299 L388 H389 V390	A291-E295 VanDerWaalsContact CA-OE2 3.3Å; A291-E295 WeakPolarHBondContact CA-OE2 3.22Å; A291-E295 HydrophobicContact CB-CB 3.96Å; D292-E295 PolarHBondContact N-OE2 3.32Å; D292-E295 PolarHBondContact O-N 3Å; D292-E295 PolarHBondContact OD1-N 3.42Å; E295-S298 PolarHBondContact O-OG 2.86Å; E295-C299 WeakPolarHBondContact O-CB 3.46Å; E295-C299 PolarHBondContact O-N 3.38Å; E295-L388 WeakPolarHBondContact OE1-CB 3.39Å; E295-H389 WeakPolarHBondContact OE1-CA 3.32Å; E295-H389 PolarHBondContact OE1-N 3.31Å; E295-V390 HydrophobicContact CG-CB 4.29Å; E295-V390 WeakPolarHBondContact CG-O 3.3Å; E295-V390 PolarHBondContact OE1-N 3.18Å
296	L	97.7	Very high	93.4	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.031	17%	0.165	C	C	.	.	H	α-helix	trans	-76.1	-44.7	-176.2	-72	171.3	0	0	0	113.3	V230 L232 F278 C287 A291 D292 S298 C299 V300 Y360	V230-L296 HydrophobicContact CG1-CD1 4.4Å; L232-L296 HydrophobicContact CB-CD1 3.76Å; L232-L296 HydrophobicContact CD1-CD1 4.23Å; L232-L296 HydrophobicContact CG-CD1 3.75Å; F278-L296 HydrophobicContact CD1-CD2 4.4Å; F278-L296 HydrophobicContact CE1-CD2 3.92Å; C287-L296 HydrophobicContact CB-CD2 4.18Å; A291-L296 HydrophobicContact CB-CD2 3.84Å; A291-L296 HydrophobicContact CB-CG 3.9Å; A291-L296 WeakPolarHBondContact O-CD1 3.44Å; D292-L296 VanDerWaalsContact O-CB 3.23Å; D292-L296 WeakPolarHBondContact O-CB 3.43Å; D292-L296 WeakPolarHBondContact O-CG 3.42Å; D292-L296 PolarHBondContact O-N 3.45Å; L296-S298 VanDerWaalsContact C-N 3.33Å; L296-S298 PolarHBondContact O-N 3.14Å; L296-C299 PolarHBondContact O-N 3.06Å; L296-V300 HydrophobicContact CB-CG2 4.16Å; L296-V300 HydrophobicContact CD2-CG2 3.68Å; L296-V300 WeakPolarHBondContact O-CB 3.26Å; L296-V300 VanDerWaalsContact O-CG2 3.27Å; L296-V300 WeakPolarHBondContact O-CG2 3.36Å; L296-V300 PolarHBondContact O-N 2.72Å; L296-Y360 HydrophobicContact CB-CE1 4.1Å
297	T	96.4	Very high	91.6	Very high	43 Å²	43	29.4 Å²	29.4	26%	0.264	18%	0.177	S	C	.	.	H	α-helix	trans	-63.7	-39.3	-178.1	53.7	0	0	0	0	112	W293 P301 Y360	W293-T297 HydrophobicContact CD2-CG2 3.94Å; W293-T297 HydrophobicContact CE3-CG2 4.32Å; W293-T297 HydrophobicContact CG-CG2 4.43Å; W293-T297 HydrophobicContact CH2-CG2 4.25Å; W293-T297 HydrophobicContact CZ2-CG2 3.89Å; W293-T297 HydrophobicContact CZ3-CG2 4.43Å; W293-T297 WeakPolarHBondContact O-CB 3.14Å; W293-T297 VanDerWaalsContact O-CG2 3.32Å; W293-T297 WeakPolarHBondContact O-CG2 3.44Å; W293-T297 PolarHBondContact O-N 2.98Å; W293-T297 PolarHBondContact O-OG1 3.41Å; T297-P301 WeakPolarHBondContact O-CD 3.33Å; T297-Y360 HydrophobicContact CG2-CE1 4.28Å
298	S	94.1	Very high	89.5	Confident	64 Å²	64	34.5 Å²	34.5	45%	0.448	20%	0.195	S	C	.	.	H	α-helix	trans	-73.5	-29.5	176.1	63.3	0	0	0	0	113.9	T294 E295 L296	T294-S298 WeakPolarHBondContact O-CB 3Å; T294-S298 PolarHBondContact O-OG 3.5Å; E295-S298 PolarHBondContact O-OG 2.86Å; L296-S298 VanDerWaalsContact C-N 3.33Å; L296-S298 PolarHBondContact O-N 3.14Å
299	C	95.4	Very high	87.1	Confident	6 Å²	6	37.9 Å²	37.9	4%	0.041	21%	0.212	C	C	.	.	H	α-helix	trans	-98.8	-42.9	-172.5	177.6	0	0	0	0	115.2	C287 E295 L296 S302 V303	C287-C299 WeakPolarHBondContact CA-SG 3.45Å; C287-C299 HydrophobicContact CB-CB 3.58Å; C287-C299 WeakPolarHBondContact CB-SG 3.49Å; C287-C299 WeakPolarHBondContact SG-CB 3.49Å; C287-C299 CovalentContact SG-SG 2.03Å; C287-C299 PolarHBondContact SG-SG 2.89Å; E295-C299 WeakPolarHBondContact O-CB 3.46Å; E295-C299 PolarHBondContact O-N 3.38Å; L296-C299 PolarHBondContact O-N 3.06Å; C299-S302 WeakPolarHBondContact O-CB 3.31Å; C299-S302 PolarHBondContact O-N 3.26Å; C299-S302 VanDerWaalsContact O-N 3.17Å; C299-V303 PolarHBondContact O-N 2.97Å; C299-V303 VanDerWaalsContact O-N 3.1Å; C299-V303 VanDerWaalsContact SG-CG2 3.58Å
300	V	95.2	Very high	84.6	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-46.2	-166.8	171.4	0	0	0	0	113	L228 V230 F278 L296 S302 V303 V304 F358	L228-V300 HydrophobicContact CD2-CG1 4.03Å; V230-V300 HydrophobicContact CG1-CG2 4.14Å; V230-V300 HydrophobicContact CG2-CG1 4.08Å; F278-V300 HydrophobicContact CD1-CG2 4.01Å; F278-V300 HydrophobicContact CD2-CG1 4.03Å; F278-V300 HydrophobicContact CD2-CG2 4.31Å; F278-V300 HydrophobicContact CE1-CG2 3.83Å; F278-V300 HydrophobicContact CE2-CG1 4.39Å; F278-V300 HydrophobicContact CE2-CG2 4.14Å; F278-V300 HydrophobicContact CG-CG1 4.25Å; F278-V300 HydrophobicContact CG-CG2 4.26Å; F278-V300 HydrophobicContact CZ-CG2 3.9Å; L296-V300 HydrophobicContact CB-CG2 4.16Å; L296-V300 HydrophobicContact CD2-CG2 3.68Å; L296-V300 WeakPolarHBondContact O-CB 3.26Å; L296-V300 VanDerWaalsContact O-CG2 3.27Å; L296-V300 WeakPolarHBondContact O-CG2 3.36Å; L296-V300 PolarHBondContact O-N 2.72Å; V300-S302 VanDerWaalsContact C-N 3.32Å; V300-S302 PolarHBondContact O-N 2.87Å; V300-V303 PolarHBondContact O-N 3.14Å; V300-V304 HydrophobicContact CG1-CG2 3.96Å; V300-V304 WeakPolarHBondContact O-CB 3.36Å; V300-V304 VanDerWaalsContact O-CG2 3.27Å; V300-V304 WeakPolarHBondContact O-CG2 3.48Å; V300-V304 PolarHBondContact O-N 3.11Å; V300-F358 HydrophobicContact CG1-CD1 3.95Å; V300-F358 HydrophobicContact CG1-CE1 3.85Å
301	P	92.2	Very high	82	Confident	27 Å²	27	48 Å²	48	18%	0.175	26%	0.261	C	S	.	.	H	α-helix	trans	-58	-44	177.4	-24.2	34.5	0	0	0	112.3	T297 V303 V304 D305 F358	T297-P301 WeakPolarHBondContact O-CD 3.33Å; P301-V303 VanDerWaalsContact C-N 3.33Å; P301-V303 PolarHBondContact O-N 3.25Å; P301-V304 PolarHBondContact O-N 3.2Å; P301-D305 WeakPolarHBondContact O-CB 3.26Å; P301-D305 PolarHBondContact O-N 2.9Å; P301-F358 HydrophobicContact CB-CE2 4.11Å; P301-F358 HydrophobicContact CB-CZ 3.95Å; P301-F358 HydrophobicContact CG-CD2 4.45Å; P301-F358 HydrophobicContact CG-CE2 3.89Å; P301-F358 HydrophobicContact CG-CZ 3.97Å
302	S	88.6	Confident	79.3	Confident	42 Å²	42	54.7 Å²	54.7	29%	0.294	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-35.2	179.3	-62.4	0	0	0	0	113.3	C299 V300 K307 R308	C299-S302 WeakPolarHBondContact O-CB 3.31Å; C299-S302 PolarHBondContact O-N 3.26Å; C299-S302 VanDerWaalsContact O-N 3.17Å; V300-S302 VanDerWaalsContact C-N 3.32Å; V300-S302 PolarHBondContact O-N 2.87Å; S302-K307 CarbonylContact O-C 3.5Å; S302-K307 PolarHBondContact O-N 3.33Å; S302-K307 VanDerWaalsContact O-N 3.08Å; S302-R308 PolarHBondContact O-N 3.14Å
303	V	89.6	Confident	76.4	Confident	30 Å²	30	63.9 Å²	63.9	18%	0.182	33%	0.33	C	S	.	.	H	α-helix	trans	-77.7	-36.9	178.1	172.4	0	0	0	0	111.7	F278 C299 V300 P301 G306 R308	F278-V303 HydrophobicContact CE2-CG1 4.11Å; C299-V303 PolarHBondContact O-N 2.97Å; C299-V303 VanDerWaalsContact O-N 3.1Å; C299-V303 VanDerWaalsContact SG-CG2 3.58Å; V300-V303 PolarHBondContact O-N 3.14Å; P301-V303 VanDerWaalsContact C-N 3.33Å; P301-V303 PolarHBondContact O-N 3.25Å; V303-G306 PolarHBondContact O-N 3.29Å; V303-R308 HydrophobicContact CG2-CB 3.96Å
304	V	86.8	Confident	73.5	Confident	32 Å²	32	66.6 Å²	66.6	19%	0.194	35%	0.353	C	S	.	.	H	α-helix	trans	-77.1	-28.8	-177.9	174.2	0	0	0	0	112.2	L228 F278 V300 P301 G306 K356	L228-V304 HydrophobicContact CD2-CG1 4.32Å; L228-V304 HydrophobicContact CD2-CG2 3.63Å; F278-V304 HydrophobicContact CD2-CG2 4.15Å; V300-V304 HydrophobicContact CG1-CG2 3.96Å; V300-V304 WeakPolarHBondContact O-CB 3.36Å; V300-V304 VanDerWaalsContact O-CG2 3.27Å; V300-V304 WeakPolarHBondContact O-CG2 3.48Å; V300-V304 PolarHBondContact O-N 3.11Å; P301-V304 PolarHBondContact O-N 3.2Å; V304-G306 PolarHBondContact O-N 3.42Å; V304-K356 HydrophobicContact CG1-CD 3.69Å
305	D	81	Confident	70.5	Confident	47 Å²	47	70.6 Å²	70.6	25%	0.251	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-2.1	171	-75.8	-4.2	0	0	0	113.7	P301 K307 S354	P301-D305 WeakPolarHBondContact O-CB 3.26Å; P301-D305 PolarHBondContact O-N 2.9Å; D305-K307 HydrophobicContact CB-CB 4.48Å; D305-K307 HydrophobicContact CB-CD 3.67Å; D305-K307 HydrophobicContact CB-CG 3.92Å; D305-K307 PolarHBondContact O-N 2.67Å; D305-K307 VanDerWaalsContact O-N 3.16Å; D305-K307 WeakPolarHBondContact OD2-CE 3.34Å; D305-K307 IonicContact OD2-NZ 2.69Å; D305-K307 PolarHBondContact OD2-NZ 3.43Å; D305-S354 VanDerWaalsContact OD1-CB 3.24Å; D305-S354 WeakPolarHBondContact OD1-CB 3.46Å; D305-S354 WeakPolarHBondContact OD2-CB 3.34Å
306	G	71	Confident	67.8	Low	56 Å²	56	81.8 Å²	81.8	58%	0.577	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	1.8	-174.3	0	0	0	0	0	115.1	V303 V304 R308	V303-G306 PolarHBondContact O-N 3.29Å; V304-G306 PolarHBondContact O-N 3.42Å; G306-R308 VanDerWaalsContact C-N 3.33Å; G306-R308 PolarHBondContact O-N 3.06Å
307	K	56.3	Low	64.7	Low	137 Å²	137	92.4 Å²	92.4	60%	0.596	46%	0.463	S	S	*	.	S	Bend	trans	-71.5	-25.4	-178.6	-66.1	165	-172.4	159.4	0	112.7	S302 D305 K353	S302-K307 CarbonylContact O-C 3.5Å; S302-K307 PolarHBondContact O-N 3.33Å; S302-K307 VanDerWaalsContact O-N 3.08Å; D305-K307 HydrophobicContact CB-CB 4.48Å; D305-K307 HydrophobicContact CB-CD 3.67Å; D305-K307 HydrophobicContact CB-CG 3.92Å; D305-K307 PolarHBondContact O-N 2.67Å; D305-K307 VanDerWaalsContact O-N 3.16Å; D305-K307 WeakPolarHBondContact OD2-CE 3.34Å; D305-K307 IonicContact OD2-NZ 2.69Å; D305-K307 PolarHBondContact OD2-NZ 3.43Å; K307-K353 PolarHBondContact NZ-O 3.25Å
308	R	51.9	Low	61.8	Low	115 Å²	115	100.1 Å²	100.1	43%	0.434	49%	0.487	S	S	.	.	S	Bend	trans	-102.1	108.6	160.5	-86	-175.5	177.4	170.5	1.2	109.4	S302 V303 G306 A310	S302-R308 PolarHBondContact O-N 3.14Å; V303-R308 HydrophobicContact CG2-CB 3.96Å; G306-R308 VanDerWaalsContact C-N 3.33Å; G306-R308 PolarHBondContact O-N 3.06Å; R308-A310 PolarHBondContact O-N 3.2Å
309	D	44.7	Very low	59.2	Low	78 Å²	78	104.2 Å²	104.2	42%	0.417	50%	0.503	S	S	.	.			trans	-62.8	126.8	169.7	-175.2	31.4	0	0	0	110.1	R311 L312	D309-R311 VanDerWaalsContact CG-NH2 3.29Å; D309-R311 PolarHBondContact O-N 3.08Å; D309-R311 IonicContact OD1-CZ 2.7Å; D309-R311 IonicContact OD1-NE 3.47Å; D309-R311 PolarHBondContact OD1-NE 3.32Å; D309-R311 IonicContact OD1-NH2 3.56Å; D309-R311 PolarHBondContact OD1-NH2 3.43Å; D309-R311 IonicContact OD2-CZ 2.68Å; D309-R311 VanDerWaalsContact OD2-CZ 3.31Å; D309-R311 IonicContact OD2-NE 2.63Å; D309-R311 PolarHBondContact OD2-NE 3.16Å; D309-R311 IonicContact OD2-NH2 3.55Å; D309-R311 PolarHBondContact OD2-NH2 2.85Å; D309-R311 VanDerWaalsContact OD2-NH2 3.11Å; D309-L312 PolarHBondContact O-N 3.1Å
310	A	46.3	Very low	56.2	Low	68 Å²	68	111.9 Å²	111.9	56%	0.562	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	3.2	-172.8	0	0	0	0	0	114.4	R308	R308-A310 PolarHBondContact O-N 3.2Å
311	R	42.5	Very low	53.4	Low	195 Å²	195	119.1 Å²	119.1	74%	0.736	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.2	-13.5	170	-72.8	170.4	-76.5	-140.2	-11.2	113.5	D309 R313	D309-R311 VanDerWaalsContact CG-NH2 3.29Å; D309-R311 PolarHBondContact O-N 3.08Å; D309-R311 IonicContact OD1-CZ 2.7Å; D309-R311 IonicContact OD1-NE 3.47Å; D309-R311 PolarHBondContact OD1-NE 3.32Å; D309-R311 IonicContact OD1-NH2 3.56Å; D309-R311 PolarHBondContact OD1-NH2 3.43Å; D309-R311 IonicContact OD2-CZ 2.68Å; D309-R311 VanDerWaalsContact OD2-CZ 3.31Å; D309-R311 IonicContact OD2-NE 2.63Å; D309-R311 PolarHBondContact OD2-NE 3.16Å; D309-R311 IonicContact OD2-NH2 3.55Å; D309-R311 PolarHBondContact OD2-NH2 2.85Å; D309-R311 VanDerWaalsContact OD2-NH2 3.11Å; R311-R313 PolarHBondContact O-N 3.08Å
312	L	41.2	Very low	50.8	Low	147 Å²	147	124.7 Å²	124.7	77%	0.77	60%	0.596	S	S	*	*			trans	-73.5	49.2	167.3	-70.7	178.5	0	0	0	112.6	D309	D309-L312 PolarHBondContact O-N 3.1Å
313	R	39.1	Very low	48.3	Very low	196 Å²	196	129.8 Å²	129.8	74%	0.74	62%	0.62	S	S	*	*	S	Bend	trans	-75.1	153	151.6	-61.9	178.3	178.3	-173.1	-1.8	107.5	R311 S315	R311-R313 PolarHBondContact O-N 3.08Å; R313-S315 PolarHBondContact O-N 3.36Å
314	P	36.8	Very low	45.6	Very low	98 Å²	98	135.6 Å²	135.6	64%	0.636	65%	0.649	S	S	*	*			trans	-54.7	110.3	150.5	-19.6	32.6	0	0	0	107.7	L388	P314-L388 HydrophobicContact CG-CD2 4.26Å
315	S	35.3	Very low	43.1	Very low	92 Å²	92	138.8 Å²	138.8	64%	0.643	68%	0.679	S	S	*	*			trans	-55.4	149.2	171.3	-75	0	0	0	0	109.3	R313 W317 R318	R313-S315 PolarHBondContact O-N 3.36Å; S315-W317 PolarHBondContact O-N 3.2Å; S315-R318 PolarHBondContact O-N 3.17Å
316	R	41.4	Very low	41	Very low	238 Å²	238	141.2 Å²	141.2	90%	0.898	71%	0.706	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	21.3	-170.7	-164.3	174.8	167.7	-171.5	-5.1	115
317	W	33.3	Very low	39.6	Very low	230 Å²	230	143 Å²	143	87%	0.871	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-143.2	28.5	-168.8	-80	109.9	0	0	0	113.6	S315	S315-W317 PolarHBondContact O-N 3.2Å
318	R	36	Very low	38.4	Very low	204 Å²	204	146.3 Å²	146.3	77%	0.77	72%	0.724	S	S	*	*			trans	-127.7	42.8	164.2	-67.6	-157.4	-168.4	-156.1	7.9	113.1	S315	S315-R318 PolarHBondContact O-N 3.17Å
319	I	39.5	Very low	37.7	Very low	150 Å²	150	147.6 Å²	147.6	77%	0.769	74%	0.74	S	S	*	*	S	Bend	trans	-104.8	-6.7	168.9	-72.3	169.2	0	0	0	111.1
320	F	32.5	Very low	37.2	Very low	168 Å²	168	151.7 Å²	151.7	74%	0.737	75%	0.754	S	S	*	*	S	Bend	trans	-116.2	48.1	-179.5	-98.5	-82.3	0	0	0	112.8
321	Q	35.6	Very low	36.5	Very low	151 Å²	151	160.2 Å²	160.2	71%	0.706	77%	0.771	S	S	*	*	S	Bend	trans	-140.4	32.4	169.4	-75.5	-164.5	-30.6	0	0	112.8
322	I	37.1	Very low	35.8	Very low	145 Å²	145	155 Å²	155	74%	0.744	78%	0.779	S	S	*	*	S	Bend	trans	-111.3	-8	172.4	-64.8	177.7	0	0	0	111.5
323	L	35.8	Very low	35.3	Very low	149 Å²	149	153.3 Å²	153.3	78%	0.78	78%	0.779	S	S	*	*	S	Bend	trans	-98.2	-2.8	-178.3	-72.1	171.5	0	0	0	115.3
324	D	34.6	Very low	35.6	Very low	151 Å²	151	149.4 Å²	149.4	81%	0.807	78%	0.779	S	S	*	*	S	Bend	trans	-107	-2.6	-179	-99.2	-34.1	0	0	0	114.3	A326	D324-A326 PolarHBondContact O-N 3.35Å
325	A	33	Very low	35.2	Very low	99 Å²	99	151.3 Å²	151.3	82%	0.818	78%	0.784	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75	0	178.3	0	0	0	0	0	113.8
326	A	37.8	Very low	35	Very low	99 Å²	99	152.9 Å²	152.9	82%	0.818	79%	0.79	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.8	21.8	-174.2	0	0	0	0	0	114.1	D324	D324-A326 PolarHBondContact O-N 3.35Å
327	S	40.6	Very low	34.6	Very low	94 Å²	94	149.2 Å²	149.2	66%	0.657	79%	0.788	S	S	*	*	S	Bend	trans	-152.5	81.4	174	-166.4	0	0	0	0	114.4
328	K	30.5	Very low	34.4	Very low	205 Å²	205	143.4 Å²	143.4	89%	0.891	79%	0.789	S	S	*	*				179.4	113.8	129.8	-97.3	154.8	-170.8	173.3	0	111.7
329	D	37.8	Very low	34	Very low	142 Å²	142	137.4 Å²	137.4	76%	0.759	79%	0.791	S	S	*	*			trans	-92.8	165.6	165.8	178.4	33.2	0	0	0	110.5
330	K	34.3	Very low	33.6	Very low	165 Å²	165	135 Å²	135	72%	0.717	79%	0.793	S	S	*	*			trans	91.7	125.4	165.6	-56.1	-173.8	175.9	176.7	0	120.1
331	R	31.1	Very low	33.6	Very low	246 Å²	246	135 Å²	135	93%	0.928	80%	0.801	S	S	*	*			trans	81.8	122	154.9	-72.9	-178	-81.4	-157.1	-4.6	118.7
332	G	28.4	Very low	33.3	Very low	87 Å²	87	133.1 Å²	133.1	90%	0.897	80%	0.804	S	S	*	*			trans	153.8	72.5	162.2	0	0	0	0	0	116.2
333	S	31.4	Very low	33.1	Very low	111 Å²	111	132.5 Å²	132.5	78%	0.776	81%	0.81	S	S	*	*			trans	-133.8	145.5	158.5	-143.7	0	0	0	0	107
334	P	44.1	Very low	32.8	Very low	114 Å²	114	130.5 Å²	130.5	74%	0.74	81%	0.809	S	S	*	*				-141.2	165.8	66	39.2	-22.3	0	0	0	117.1
335	N	29.6	Very low	32.7	Very low	138 Å²	138	128.1 Å²	128.1	74%	0.738	80%	0.803	S	S	*	*			trans	21	134.2	146.3	-59.5	-7.5	0	0	0	121
336	T	31.6	Very low	32.5	Very low	124 Å²	124	130.1 Å²	130.1	76%	0.761	81%	0.806	S	S	*	*				-166.9	143.2	94.6	18.4	0	0	0	0	115.3
337	N	31.6	Very low	32.1	Very low	161 Å²	161	134.4 Å²	134.4	86%	0.861	81%	0.806	S	S	*	*			trans	63.8	140.4	149.8	-60.1	-8.1	0	0	0	121.2
338	A	29.9	Very low	31.6	Very low	108 Å²	108	136.2 Å²	136.2	89%	0.893	81%	0.813	S	S	*	*			trans	-101.5	150.2	177.8	0	0	0	0	0	111.5
339	G	28.1	Very low	31.7	Very low	78 Å²	78	137.4 Å²	137.4	80%	0.804	81%	0.812	S	S	*	*			trans	-128.8	112	164.2	0	0	0	0	0	108.8
340	A	30.3	Very low	31.6	Very low	100 Å²	100	137.5 Å²	137.5	83%	0.826	81%	0.812	S	S	*	*			trans	-76.9	138.8	-176.7	0	0	0	0	0	111.7
341	N	32.2	Very low	32	Very low	168 Å²	168	136 Å²	136	90%	0.898	82%	0.817	S	S	*	*			trans	-152.2	129.4	158.1	-98.1	-53.2	0	0	0	109.4
342	S	29.3	Very low	32.6	Very low	111 Å²	111	128.9 Å²	128.9	78%	0.776	81%	0.805	S	S	*	*			trans	-73.6	153.7	-172	-57.2	0	0	0	0	113.1	S344	S342-S344 PolarHBondContact O-N 2.97Å
343	P	34	Very low	33.4	Very low	133 Å²	133	133.8 Å²	133.8	86%	0.864	80%	0.802	S	S	*	*			trans	-71.9	95.4	-177.5	29.3	-35.4	0	0	0	111.9
344	S	28.2	Very low	34.6	Very low	107 Å²	107	129.6 Å²	129.6	75%	0.748	77%	0.773	S	S	*	*			trans	-63.7	132.7	169	-176.5	0	0	0	0	110.7	S342 T346	S342-S344 PolarHBondContact O-N 2.97Å; S344-T346 PolarHBondContact O-N 3.32Å
345	S	32.4	Very low	35.9	Very low	100 Å²	100	127.6 Å²	127.6	70%	0.699	77%	0.772	S	S	*	*			trans	-57.5	103.5	-168.4	58.6	0	0	0	0	113.8	K347	S345-K347 VanDerWaalsContact C-N 3.31Å; S345-K347 PolarHBondContact O-N 2.95Å
346	T	29.4	Very low	38.4	Very low	142 Å²	142	122.5 Å²	122.5	87%	0.871	74%	0.744	S	S	*	*			trans	-72.9	84	168.9	33	0	0	0	0	110.5	S344 T348	S344-T346 PolarHBondContact O-N 3.32Å; T346-T348 PolarHBondContact O-N 3.18Å
347	K	29.1	Very low	41.4	Very low	188 Å²	188	120.9 Å²	120.9	82%	0.817	73%	0.731	S	S	*	*			trans	-44.4	130.5	168.8	-78.9	179.5	173.9	174.7	0	110.4	S345 R349	S345-K347 VanDerWaalsContact C-N 3.31Å; S345-K347 PolarHBondContact O-N 2.95Å; K347-R349 PolarHBondContact O-N 3.36Å
348	T	29.6	Very low	44.5	Very low	132 Å²	132	115.4 Å²	115.4	81%	0.81	70%	0.699	S	S	*	*			trans	-54.5	109.3	175.3	32.9	0	0	0	0	110.2	T346 N350	T346-T348 PolarHBondContact O-N 3.18Å; T348-N350 PolarHBondContact O-N 3.16Å
349	R	33.8	Very low	47.7	Very low	231 Å²	231	111.8 Å²	111.8	87%	0.872	66%	0.664	S	S	*	*			trans	-82.4	85.3	-169	-169.1	-178.2	-167.6	179.8	6.1	110.2	K347 T351	K347-R349 PolarHBondContact O-N 3.36Å; R349-T351 WeakPolarHBondContact O-CG2 3.49Å; R349-T351 PolarHBondContact O-N 3.21Å
350	N	34.5	Very low	51.1	Low	143 Å²	143	109.7 Å²	109.7	77%	0.765	63%	0.632	S	S	*	*			trans	-41	105.7	-179.1	-82.5	-9.2	0	0	0	113.3	T348 S352	T348-N350 PolarHBondContact O-N 3.16Å; N350-S352 VanDerWaalsContact C-N 3.33Å; N350-S352 PolarHBondContact O-N 3.26Å
351	T	43.7	Very low	54.4	Low	133 Å²	133	104.9 Å²	104.9	82%	0.816	59%	0.592	S	S	*	*			trans	-90.1	58	-177.9	49.4	0	0	0	0	112.6	R349	R349-T351 WeakPolarHBondContact O-CG2 3.49Å; R349-T351 PolarHBondContact O-N 3.21Å
352	S	43.7	Very low	57.5	Low	97 Å²	97	96.9 Å²	96.9	68%	0.678	55%	0.549	S	S	*	.			trans	-115.6	46.6	169.8	56.4	0	0	0	0	112	N350 S354	N350-S352 VanDerWaalsContact C-N 3.33Å; N350-S352 PolarHBondContact O-N 3.26Å; S352-S354 PolarHBondContact O-N 2.77Å
353	K	44.8	Very low	60.9	Low	191 Å²	191	91.7 Å²	91.7	83%	0.83	51%	0.513	S	S	*	.			trans	-85.4	34.9	172.5	-94.4	-162	172.9	-165.9	0	113.4	K307	K307-K353 PolarHBondContact NZ-O 3.25Å
354	S	56.3	Low	63.9	Low	23 Å²	23	85.4 Å²	85.4	16%	0.161	47%	0.472	C	S	.	.			trans	-130.2	119.9	174.3	58	0	0	0	0	108	D305 S352 K356	D305-S354 VanDerWaalsContact OD1-CB 3.24Å; D305-S354 WeakPolarHBondContact OD1-CB 3.46Å; D305-S354 WeakPolarHBondContact OD2-CB 3.34Å; S352-S354 PolarHBondContact O-N 2.77Å; S354-K356 PolarHBondContact O-N 3.43Å
355	G	71.1	Confident	67.3	Low	71 Å²	71	81.1 Å²	81.1	73%	0.732	44%	0.44	S	S	*	.			trans	-73.9	31	177.1	0	0	0	0	0	114.1	D226	D226-G355 WeakPolarHBondContact CB-O 3.27Å
356	K	83.4	Confident	70.4	Confident	32 Å²	32	78.1 Å²	78.1	14%	0.139	42%	0.416	C	S	.	.			trans	-118.7	130.2	-165.2	-66.8	-176.1	170.2	179.7	0	111	D226 E274 V304 S354 F358	D226-K356 HydrophobicContact CB-CG 3.99Å; D226-K356 WeakPolarHBondContact OD1-CE 3.49Å; D226-K356 WeakPolarHBondContact OD1-CG 3.31Å; E274-K356 IonicContact OE2-NZ 3.41Å; E274-K356 PolarHBondContact OE2-NZ 2.87Å; V304-K356 HydrophobicContact CG1-CD 3.69Å; S354-K356 PolarHBondContact O-N 3.43Å; K356-F358 HydrophobicContact CB-CE2 4.36Å; K356-F358 HydrophobicContact CB-CZ 4.06Å; K356-F358 WeakPolarHBondContact O-CD2 3.17Å; K356-F358 VanDerWaalsContact O-CE2 3.3Å; K356-F358 WeakPolarHBondContact O-CE2 3.39Å
357	N	93.6	Very high	73.7	Confident	90 Å²	90	71.4 Å²	71.4	48%	0.481	37%	0.374	S	S	.	.			trans	-89.9	127.5	179.9	-58.4	-50.6	0	0	0	110.2	D227 L228 H359	D227-N357 WeakPolarHBondContact OD1-CB 3.46Å; D227-N357 PolarHBondContact OD1-ND2 2.88Å; L228-N357 PolarHBondContact N-O 3.37Å; N357-H359 WeakPolarHBondContact CB-NE2 3.33Å
358	F	96.9	Very high	77	Confident	45 Å²	45	63 Å²	63	20%	0.197	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	103	-175.5	-61.8	-76.3	0	0	0	111.3	L228 V230 V300 P301 K356 Y360	L228-F358 HydrophobicContact CB-CD1 4.26Å; L228-F358 HydrophobicContact CD2-CD1 3.77Å; L228-F358 HydrophobicContact CD2-CE1 3.71Å; V230-F358 HydrophobicContact CG2-CB 4.39Å; V230-F358 HydrophobicContact CG2-CD1 4.15Å; V300-F358 HydrophobicContact CG1-CD1 3.95Å; V300-F358 HydrophobicContact CG1-CE1 3.85Å; P301-F358 HydrophobicContact CB-CE2 4.11Å; P301-F358 HydrophobicContact CB-CZ 3.95Å; P301-F358 HydrophobicContact CG-CD2 4.45Å; P301-F358 HydrophobicContact CG-CE2 3.89Å; P301-F358 HydrophobicContact CG-CZ 3.97Å; K356-F358 HydrophobicContact CB-CE2 4.36Å; K356-F358 HydrophobicContact CB-CZ 4.06Å; K356-F358 WeakPolarHBondContact O-CD2 3.17Å; K356-F358 VanDerWaalsContact O-CE2 3.3Å; K356-F358 WeakPolarHBondContact O-CE2 3.39Å; F358-Y360 HydrophobicContact CB-CD2 4.2Å; F358-Y360 HydrophobicContact CB-CE2 3.58Å; F358-Y360 WeakPolarHBondContact O-CD2 3.17Å; F358-Y360 PolarHBondContact O-N 2.85Å
359	H	98.3	Very high	80.2	Confident	32 Å²	32	58.5 Å²	58.5	15%	0.148	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	86.5	-178.9	-54.3	-73.1	0	0	0	110.4	V219 F221 D227 L228 I229 V230 N357 A469 F488	V219-H359 VanDerWaalsContact CG1-CE1 3.43Å; V219-H359 WeakPolarHBondContact CG1-CE1 3.27Å; F221-H359 AromaticContact CD2-CD2 3.77Å; F221-H359 AromaticContact CE2-CD2 3.89Å; D227-H359 IonicContact OD1-NE2 3.74Å; D227-H359 IonicContact OD2-NE2 2.69Å; L228-H359 PolarHBondContact O-N 3.18Å; I229-H359 WeakPolarHBondContact CA-O 3.37Å; I229-H359 HydrophobicContact CG1-CB 4.45Å; V230-H359 PolarHBondContact N-O 2.78Å; N357-H359 WeakPolarHBondContact CB-NE2 3.33Å; H359-A469 HydrophobicContact CB-CB 3.94Å; H359-F488 HydrophobicContact CB-CE1 3.88Å; H359-F488 HydrophobicContact CB-CZ 4.28Å
360	Y	98.7	Very high	83.3	Confident	34 Å²	34	47.5 Å²	47.5	13%	0.133	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	132.4	177.1	-70.4	-90.3	0	0	0	111.6	V230 L296 T297 F358 M468 A469	V230-Y360 HydrophobicContact CB-CD1 3.87Å; V230-Y360 HydrophobicContact CB-CE1 3.95Å; V230-Y360 HydrophobicContact CB-CG 4.33Å; V230-Y360 HydrophobicContact CG1-CD1 3.83Å; V230-Y360 HydrophobicContact CG1-CE1 3.62Å; V230-Y360 HydrophobicContact CG2-CE1 4.37Å; V230-Y360 WeakPolarHBondContact O-CA 3.21Å; L296-Y360 HydrophobicContact CB-CE1 4.1Å; T297-Y360 HydrophobicContact CG2-CE1 4.28Å; F358-Y360 HydrophobicContact CB-CD2 4.2Å; F358-Y360 HydrophobicContact CB-CE2 3.58Å; F358-Y360 WeakPolarHBondContact O-CD2 3.17Å; F358-Y360 PolarHBondContact O-N 2.85Å; Y360-M468 WeakPolarHBondContact O-CB 3.31Å; Y360-A469 PolarHBondContact O-N 2.85Å
361	I	98.9	Very high	86.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	152.5	175.3	68.8	174	0	0	0	112.1	I229 V230 F231 L232 F242 L246 A469 F470 F484 F488	I229-I361 HydrophobicContact CG2-CD1 3.46Å; I229-I361 VanDerWaalsContact CG2-CD1 3.46Å; I229-I361 HydrophobicContact CG2-CG1 3.9Å; V230-I361 PolarHBondContact O-N 2.94Å; F231-I361 HydrophobicContact CB-CD1 4.39Å; F231-I361 HydrophobicContact CB-CG1 4.05Å; F231-I361 HydrophobicContact CD2-CG1 4.14Å; F231-I361 HydrophobicContact CG-CG1 4.47Å; L232-I361 PolarHBondContact N-O 3.43Å; F242-I361 HydrophobicContact CE1-CD1 3.85Å; F242-I361 HydrophobicContact CZ-CD1 4.22Å; L246-I361 HydrophobicContact CD1-CD1 4.11Å; L246-I361 HydrophobicContact CD2-CD1 4.42Å; I361-A469 HydrophobicContact CG2-CB 4.42Å; I361-F470 WeakPolarHBondContact CA-O 3.28Å; I361-F470 HydrophobicContact CB-CD1 4.21Å; I361-F470 WeakPolarHBondContact CB-O 3.38Å; I361-F470 HydrophobicContact CG2-CB 3.83Å; I361-F470 HydrophobicContact CG2-CD1 4.22Å; I361-F484 HydrophobicContact CD1-CE2 3.97Å; I361-F488 HydrophobicContact CG2-CE2 3.97Å; I361-F488 HydrophobicContact CG2-CZ 3.7Å
362	T	98.9	Very high	88.9	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	172.8	175.8	-162	0	0	0	0	112.5	L232 L364 L434 L465 M468 F470 F471 G472	L232-T362 PolarHBondContact O-OG1 2.98Å; T362-L364 HydrophobicContact CG2-CD2 4.05Å; T362-L364 HydrophobicContact CG2-CG 4.39Å; T362-L434 HydrophobicContact CG2-CD2 4.19Å; T362-L465 HydrophobicContact CG2-CD1 3.67Å; T362-M468 HydrophobicContact CG2-CE 4.45Å; T362-M468 HydrophobicContact CG2-SD 3.7Å; T362-F470 PolarHBondContact N-O 2.72Å; T362-F471 HydrophobicContact CG2-CB 3.8Å; T362-F471 VanDerWaalsContact O-CA 3.26Å; T362-F471 WeakPolarHBondContact O-CA 3.3Å; T362-G472 PolarHBondContact O-N 3.2Å
363	I	98.8	Very high	91.4	Very high	2 Å²	2	30.6 Å²	30.6	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135.8	168.7	-53.5	-68.4	0	0	0	108.1	F231 T237 F242 F470 G472 T480	F231-I363 HydrophobicContact CE2-CG1 4.13Å; F231-I363 HydrophobicContact CZ-CG1 4.4Å; T237-I363 WeakPolarHBondContact CB-O 3.47Å; T237-I363 WeakPolarHBondContact O-CG2 3.23Å; T237-I363 PolarHBondContact OG1-O 2.88Å; F242-I363 HydrophobicContact CB-CD1 4.17Å; F242-I363 HydrophobicContact CB-CG1 3.81Å; F242-I363 HydrophobicContact CD1-CD1 3.64Å; F242-I363 HydrophobicContact CD1-CG1 3.5Å; F242-I363 VanDerWaalsContact CD1-CG1 3.5Å; F242-I363 HydrophobicContact CD2-CD1 3.69Å; F242-I363 HydrophobicContact CD2-CG1 4.26Å; F242-I363 HydrophobicContact CE1-CD1 3.85Å; F242-I363 HydrophobicContact CE1-CG1 4.09Å; F242-I363 HydrophobicContact CE2-CD1 3.92Å; F242-I363 HydrophobicContact CG-CD1 3.54Å; F242-I363 HydrophobicContact CG-CG1 3.58Å; F242-I363 HydrophobicContact CZ-CD1 4Å; I363-F470 HydrophobicContact CD1-CE1 4.36Å; I363-G472 CarbonylContact C-O 3.49Å; I363-G472 WeakPolarHBondContact CA-O 3.42Å; I363-T480 HydrophobicContact CD1-CG2 4.1Å
364	L	98.8	Very high	94	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	173.1	177.6	-51.8	-176.2	0	0	0	112.2	I234 T362 Q430 L434 L465 G472 L473 T474 A531	I234-L364 HydrophobicContact CD1-CD2 3.68Å; T362-L364 HydrophobicContact CG2-CD2 4.05Å; T362-L364 HydrophobicContact CG2-CG 4.39Å; L364-Q430 HydrophobicContact CD2-CG 4.45Å; L364-L434 HydrophobicContact CD2-CD1 3.89Å; L364-L465 HydrophobicContact CD1-CD1 3.92Å; L364-L465 HydrophobicContact CD1-CD2 3.58Å; L364-L465 HydrophobicContact CD1-CG 4.41Å; L364-L465 HydrophobicContact CG-CD1 4.49Å; L364-G472 PolarHBondContact N-O 3.5Å; L364-L473 HydrophobicContact CB-CD2 3.86Å; L364-T474 PolarHBondContact O-N 2.97Å; L364-T474 PolarHBondContact O-OG1 3.16Å; L364-A531 HydrophobicContact CD1-CB 3.71Å
365	R	98.2	Very high	96	Very high	17 Å²	17	21.2 Å²	21.2	6%	0.064	13%	0.125	C	C	.	.			trans	-154.6	151.4	177.9	-171.7	174.2	-175.5	-170.5	-1.6	110.4	K236 T237 S369 R370 Q430 T474 T502 Y528	K236-R365 PolarHBondContact O-NH1 3.31Å; T237-R365 HydrophobicContact CG2-CB 4.1Å; R365-S369 PolarHBondContact NH1-O 3.44Å; R365-R370 HydrophobicContact CB-CB 4.26Å; R365-R370 HydrophobicContact CG-CB 4.41Å; R365-Q430 PolarHBondContact O-NE2 2.94Å; R365-Q430 PolarHBondContact O-OE1 2.96Å; R365-T474 HydrophobicContact CG-CG2 4.41Å; R365-T502 PolarHBondContact NH2-OG1 3.19Å; R365-Y528 VanDerWaalsContact C-CD2 3.41Å; R365-Y528 WeakPolarHBondContact O-CD2 3.5Å
366	D	97.8	Very high	97.2	Very high	37 Å²	37	21.4 Å²	21.4	20%	0.198	10%	0.103	C	C	.	.			trans	-38.8	123.1	163.5	162.9	-119.7	0	0	0	110.8	V368 S369 R370 E475 Y528	D366-V368 VanDerWaalsContact C-N 3.35Å; D366-V368 PolarHBondContact O-N 3.18Å; D366-S369 PolarHBondContact O-N 3.04Å; D366-S369 WeakPolarHBondContact OD1-CA 3.32Å; D366-S369 WeakPolarHBondContact OD1-CB 3.46Å; D366-S369 PolarHBondContact OD1-N 2.86Å; D366-S369 PolarHBondContact OD1-OG 2.79Å; D366-R370 VanDerWaalsContact O-CB 3.31Å; D366-R370 WeakPolarHBondContact O-CB 3.25Å; D366-R370 PolarHBondContact O-N 2.95Å; D366-E475 VanDerWaalsContact CB-OE1 3.23Å; D366-E475 WeakPolarHBondContact CB-OE1 3.5Å; D366-E475 PolarHBondContact N-OE1 2.99Å; D366-Y528 HydrophobicContact CB-CE1 4.32Å
367	P	98.6	Very high	97.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-59.9	-38.6	-173.9	-29.3	37.9	0	0	0	114.4	R370 Y371 N521 D524 M525	P367-R370 PolarHBondContact O-N 3.44Å; P367-Y371 WeakPolarHBondContact O-CB 3.31Å; P367-Y371 PolarHBondContact O-N 2.89Å; P367-N521 HydrophobicContact CB-CB 4.04Å; P367-D524 HydrophobicContact CB-CB 3.9Å; P367-D524 VanDerWaalsContact CG-C 3.44Å; P367-D524 HydrophobicContact CG-CB 3.8Å; P367-D524 VanDerWaalsContact CG-O 3.3Å; P367-D524 WeakPolarHBondContact CG-O 3.18Å; P367-M525 HydrophobicContact CB-CG 4.39Å; P367-M525 HydrophobicContact CB-SD 3.72Å; P367-M525 HydrophobicContact CG-CG 4.26Å; P367-M525 HydrophobicContact CG-SD 3.61Å
368	V	98	Very high	98	Very high	12 Å²	12	19.2 Å²	19.2	7%	0.073	9%	0.091	C	C	.	.	H	α-helix	trans	-64.2	-51.6	179.2	-177.6	0	0	0	0	109.6	D366 R370 Y371 L372 I509 Q514 I517 E518 M525	D366-V368 VanDerWaalsContact C-N 3.35Å; D366-V368 PolarHBondContact O-N 3.18Å; V368-R370 VanDerWaalsContact C-N 3.28Å; V368-R370 PolarHBondContact O-N 2.95Å; V368-Y371 PolarHBondContact O-N 3.13Å; V368-L372 HydrophobicContact CG1-CD1 4.03Å; V368-L372 HydrophobicContact CG1-CG 4.47Å; V368-L372 WeakPolarHBondContact O-CB 3.48Å; V368-L372 WeakPolarHBondContact O-CG 3.42Å; V368-L372 PolarHBondContact O-N 2.9Å; V368-I509 HydrophobicContact CG1-CD1 4.2Å; V368-Q514 HydrophobicContact CG1-CG 4.38Å; V368-Q514 HydrophobicContact CG2-CG 4.46Å; V368-I517 HydrophobicContact CB-CG2 4.33Å; V368-I517 HydrophobicContact CG1-CG2 4.16Å; V368-I517 HydrophobicContact CG2-CG2 4.19Å; V368-E518 HydrophobicContact CG2-CG 3.61Å; V368-M525 HydrophobicContact CG2-SD 4.41Å
369	S	97.3	Very high	97.9	Very high	37 Å²	37	19 Å²	19	26%	0.259	9%	0.091	S	C	.	.	H	α-helix	trans	-59.8	-34.7	174.8	-64.9	0	0	0	0	113.5	R365 D366 S373 A504	R365-S369 PolarHBondContact NH1-O 3.44Å; D366-S369 PolarHBondContact O-N 3.04Å; D366-S369 WeakPolarHBondContact OD1-CA 3.32Å; D366-S369 WeakPolarHBondContact OD1-CB 3.46Å; D366-S369 PolarHBondContact OD1-N 2.86Å; D366-S369 PolarHBondContact OD1-OG 2.79Å; S369-S373 VanDerWaalsContact O-CB 3.27Å; S369-S373 WeakPolarHBondContact O-CB 3.39Å; S369-S373 PolarHBondContact O-N 2.92Å; S369-A504 VanDerWaalsContact O-CB 3.31Å; S369-A504 WeakPolarHBondContact O-CB 3.21Å
370	R	98.3	Very high	97.8	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-68.8	-49.9	175.5	-174.1	-160.6	61.4	63.2	4.7	110.5	K236 T237 R365 D366 P367 V368 S373 E374 A426 N521 D524	K236-R370 HydrophobicContact CB-CG 4.05Å; T237-R370 HydrophobicContact CG2-CG 4.24Å; R365-R370 HydrophobicContact CB-CB 4.26Å; R365-R370 HydrophobicContact CG-CB 4.41Å; D366-R370 VanDerWaalsContact O-CB 3.31Å; D366-R370 WeakPolarHBondContact O-CB 3.25Å; D366-R370 PolarHBondContact O-N 2.95Å; P367-R370 PolarHBondContact O-N 3.44Å; V368-R370 VanDerWaalsContact C-N 3.28Å; V368-R370 PolarHBondContact O-N 2.95Å; R370-S373 CarbonylContact O-C 3.4Å; R370-S373 WeakPolarHBondContact O-CB 3.44Å; R370-S373 PolarHBondContact O-N 2.68Å; R370-E374 IonicContact NH1-OE2 2.66Å; R370-E374 PolarHBondContact NH1-OE2 3.25Å; R370-E374 PolarHBondContact O-N 3.45Å; R370-A426 PolarHBondContact NH1-O 3.03Å; R370-A426 PolarHBondContact NH2-O 3.08Å; R370-N521 PolarHBondContact NH2-OD1 3.27Å; R370-D524 IonicContact CZ-OD2 2.89Å; R370-D524 IonicContact NE-OD2 2.89Å; R370-D524 PolarHBondContact NE-OD2 2.94Å; R370-D524 VanDerWaalsContact NE-OD2 3.11Å; R370-D524 IonicContact NH2-OD2 3.19Å; R370-D524 PolarHBondContact NH2-OD2 3.23Å
371	Y	98.6	Very high	97.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.4	-49.2	-176.8	-170.2	-91.5	0	0	0	111.7	P367 V368 S373 E374 W375 F418 M419 A426 N427 I517 N521	P367-Y371 WeakPolarHBondContact O-CB 3.31Å; P367-Y371 PolarHBondContact O-N 2.89Å; V368-Y371 PolarHBondContact O-N 3.13Å; Y371-S373 VanDerWaalsContact C-N 3.27Å; Y371-S373 PolarHBondContact O-N 3.09Å; Y371-E374 CarbonylContact O-C 3.57Å; Y371-E374 WeakPolarHBondContact O-CA 3.45Å; Y371-E374 VanDerWaalsContact O-CB 3.31Å; Y371-E374 WeakPolarHBondContact O-CB 3.39Å; Y371-E374 PolarHBondContact O-N 3.35Å; Y371-W375 PolarHBondContact O-N 3.17Å; Y371-F418 HydrophobicContact CD1-CD1 4.49Å; Y371-F418 HydrophobicContact CD1-CE1 4.24Å; Y371-F418 HydrophobicContact CD2-CE1 4.47Å; Y371-F418 AromaticContact CE1-CD1 3.66Å; Y371-F418 HydrophobicContact CE1-CD1 3.66Å; Y371-F418 AromaticContact CE1-CE1 3.71Å; Y371-F418 HydrophobicContact CE1-CE1 3.71Å; Y371-F418 AromaticContact CE2-CE1 3.97Å; Y371-F418 HydrophobicContact CE2-CE1 3.97Å; Y371-F418 AromaticContact CZ-CD1 3.69Å; Y371-F418 AromaticContact CZ-CE1 3.57Å; Y371-F418 PolarHBondContact OH-O 3.03Å; Y371-M419 HydrophobicContact CE1-CG 3.78Å; Y371-A426 HydrophobicContact CD2-CB 3.86Å; Y371-A426 HydrophobicContact CE2-CB 3.61Å; Y371-N427 VanDerWaalsContact CE2-OD1 3.27Å; Y371-N427 WeakPolarHBondContact CE2-OD1 3.45Å; Y371-N427 PolarHBondContact OH-OD1 2.86Å; Y371-I517 HydrophobicContact CD1-CD1 4.27Å; Y371-I517 HydrophobicContact CD1-CG1 4.07Å; Y371-I517 HydrophobicContact CD1-CG2 3.71Å; Y371-I517 HydrophobicContact CE1-CG1 4.18Å; Y371-I517 HydrophobicContact CE1-CG2 4.4Å; Y371-I517 HydrophobicContact CG-CG2 3.92Å; Y371-N521 WeakPolarHBondContact CD2-ND2 3.37Å
372	L	98	Very high	97.5	Very high	8 Å²	8	24 Å²	24	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-59.1	-38	173.8	-69.2	174	0	0	0	112.2	V368 E374 W375 R376 L415 A504 V507 I509 I517	V368-L372 HydrophobicContact CG1-CD1 4.03Å; V368-L372 HydrophobicContact CG1-CG 4.47Å; V368-L372 WeakPolarHBondContact O-CB 3.48Å; V368-L372 WeakPolarHBondContact O-CG 3.42Å; V368-L372 PolarHBondContact O-N 2.9Å; L372-E374 VanDerWaalsContact C-N 3.25Å; L372-E374 PolarHBondContact O-N 2.88Å; L372-W375 HydrophobicContact CD2-CE3 4.29Å; L372-R376 WeakPolarHBondContact O-CB 3.45Å; L372-R376 WeakPolarHBondContact O-CG 3.27Å; L372-R376 PolarHBondContact O-N 3.21Å; L372-L415 HydrophobicContact CD2-CD1 4.23Å; L372-L415 HydrophobicContact CD2-CD2 4.02Å; L372-A504 HydrophobicContact CB-CB 4.36Å; L372-V507 HydrophobicContact CD2-CG1 4.33Å; L372-I509 HydrophobicContact CD1-CD1 4.17Å; L372-I509 HydrophobicContact CD2-CG2 4.24Å; L372-I517 HydrophobicContact CD2-CD1 3.62Å; L372-I517 HydrophobicContact CG-CD1 4.12Å
373	S	97.2	Very high	97.2	Very high	11 Å²	11	25.9 Å²	25.9	8%	0.077	13%	0.131	C	C	.	.	H	α-helix	trans	-71.7	-21.3	175.2	-150.6	0	0	0	0	113.1	K236 S369 R370 Y371 H377 R503	K236-S373 WeakPolarHBondContact CE-O 3.26Å; K236-S373 PolarHBondContact NZ-O 2.89Å; S369-S373 VanDerWaalsContact O-CB 3.27Å; S369-S373 WeakPolarHBondContact O-CB 3.39Å; S369-S373 PolarHBondContact O-N 2.92Å; R370-S373 CarbonylContact O-C 3.4Å; R370-S373 WeakPolarHBondContact O-CB 3.44Å; R370-S373 PolarHBondContact O-N 2.68Å; Y371-S373 VanDerWaalsContact C-N 3.27Å; Y371-S373 PolarHBondContact O-N 3.09Å; S373-H377 WeakPolarHBondContact O-CB 3.49Å; S373-R503 WeakPolarHBondContact CA-O 3.34Å; S373-R503 PolarHBondContact OG-O 2.88Å
374	E	98.4	Very high	97.1	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.009	14%	0.138	C	C	.	.	H	α-helix	trans	-78.7	-54.5	173.6	-160.3	164.5	147.3	0	0	110.6	K236 R370 Y371 L372 R376 H377 V378 W384 F418 A426 R429	K236-E374 HydrophobicContact CG-CB 3.72Å; K236-E374 HydrophobicContact CG-CG 4.01Å; R370-E374 IonicContact NH1-OE2 2.66Å; R370-E374 PolarHBondContact NH1-OE2 3.25Å; R370-E374 PolarHBondContact O-N 3.45Å; Y371-E374 CarbonylContact O-C 3.57Å; Y371-E374 WeakPolarHBondContact O-CA 3.45Å; Y371-E374 VanDerWaalsContact O-CB 3.31Å; Y371-E374 WeakPolarHBondContact O-CB 3.39Å; Y371-E374 PolarHBondContact O-N 3.35Å; L372-E374 VanDerWaalsContact C-N 3.25Å; L372-E374 PolarHBondContact O-N 2.88Å; E374-R376 VanDerWaalsContact C-N 3.34Å; E374-R376 PolarHBondContact O-N 2.73Å; E374-H377 CarbonylContact O-C 3.59Å; E374-H377 WeakPolarHBondContact O-CA 3.42Å; E374-H377 WeakPolarHBondContact O-CB 3.28Å; E374-H377 PolarHBondContact O-N 3.05Å; E374-V378 HydrophobicContact CG-CG2 4.39Å; E374-V378 WeakPolarHBondContact O-CG2 3.49Å; E374-V378 PolarHBondContact O-N 3.38Å; E374-W384 HydrophobicContact CG-CH2 3.91Å; E374-W384 HydrophobicContact CG-CZ3 3.91Å; E374-F418 HydrophobicContact CG-CZ 4.48Å; E374-A426 HydrophobicContact CG-CB 4.26Å; E374-A426 WeakPolarHBondContact OE1-CA 3.28Å; E374-A426 WeakPolarHBondContact OE1-CB 3.31Å; E374-R429 VanDerWaalsContact CD-NE 3.27Å; E374-R429 IonicContact OE1-CZ 3.44Å; E374-R429 IonicContact OE1-NE 3.11Å; E374-R429 PolarHBondContact OE1-NE 2.84Å; E374-R429 IonicContact OE1-NH2 2.6Å; E374-R429 PolarHBondContact OE1-NH2 3.46Å; E374-R429 WeakPolarHBondContact OE2-CD 3.33Å; E374-R429 IonicContact OE2-CZ 2.71Å; E374-R429 IonicContact OE2-NE 3.68Å; E374-R429 PolarHBondContact OE2-NE 2.66Å
375	W	97.9	Very high	96.8	Very high	15 Å²	15	33.2 Å²	33.2	6%	0.057	16%	0.162	C	C	.	.	H	α-helix	trans	-47.1	-55.6	171.6	166.3	51.9	0	0	0	111.6	Y371 L372 H377 V378 Q379 C413 L415 F418 V507	Y371-W375 PolarHBondContact O-N 3.17Å; L372-W375 HydrophobicContact CD2-CE3 4.29Å; W375-H377 PolarHBondContact O-N 2.88Å; W375-V378 PolarHBondContact O-N 2.8Å; W375-V378 VanDerWaalsContact O-N 3.09Å; W375-Q379 WeakPolarHBondContact O-CB 3.34Å; W375-Q379 PolarHBondContact O-N 2.99Å; W375-C413 PolarHBondContact NE1-O 3.48Å; W375-L415 HydrophobicContact CB-CD1 4.3Å; W375-L415 HydrophobicContact CD2-CB 3.95Å; W375-L415 HydrophobicContact CD2-CD1 3.75Å; W375-L415 HydrophobicContact CD2-CG 4.36Å; W375-L415 HydrophobicContact CE3-CB 4.1Å; W375-L415 HydrophobicContact CE3-CD1 3.79Å; W375-L415 HydrophobicContact CE3-CD2 4.26Å; W375-L415 HydrophobicContact CE3-CG 4.26Å; W375-L415 HydrophobicContact CG-CD1 3.93Å; W375-L415 HydrophobicContact CH2-CB 3.8Å; W375-L415 HydrophobicContact CZ2-CB 3.67Å; W375-L415 HydrophobicContact CZ3-CB 4Å; W375-L415 HydrophobicContact CZ3-CD1 4.39Å; W375-L415 HydrophobicContact CZ3-CD2 4.08Å; W375-L415 HydrophobicContact CZ3-CG 4.39Å; W375-F418 HydrophobicContact CB-CD1 3.61Å; W375-F418 HydrophobicContact CB-CD2 4.48Å; W375-F418 HydrophobicContact CB-CE1 3.67Å; W375-F418 HydrophobicContact CB-CG 4.02Å; W375-F418 HydrophobicContact CB-CZ 4.15Å; W375-F418 AromaticContact CD1-CG 3.7Å; W375-F418 HydrophobicContact CG-CB 4.37Å; W375-F418 HydrophobicContact CG-CD1 4.13Å; W375-F418 HydrophobicContact CG-CG 4.15Å; W375-V507 HydrophobicContact CZ3-CG1 3.85Å; W375-V507 HydrophobicContact CZ3-CG2 4.45Å
376	R	96.7	Very high	96.5	Very high	74 Å²	74	35.6 Å²	35.6	28%	0.279	19%	0.185	S	C	.	.	H	α-helix	trans	-62.2	-15	178.9	-70.9	-59.8	-158.7	178.4	0.4	113.5	L372 E374 Q379 R380 V507	L372-R376 WeakPolarHBondContact O-CB 3.45Å; L372-R376 WeakPolarHBondContact O-CG 3.27Å; L372-R376 PolarHBondContact O-N 3.21Å; E374-R376 VanDerWaalsContact C-N 3.34Å; E374-R376 PolarHBondContact O-N 2.73Å; R376-Q379 VanDerWaalsContact CD-OE1 3.31Å; R376-R380 PolarHBondContact O-NH1 2.82Å; R376-R380 PolarHBondContact O-NH2 3.18Å; R376-V507 HydrophobicContact CG-CG2 3.98Å
377	H	96.4	Very high	96.4	Very high	67 Å²	67	34.7 Å²	34.7	31%	0.31	18%	0.182	S	C	.	.	H	α-helix	trans	-88.5	-43.9	173.3	-157.7	-140.2	0	0	0	111.4	K236 S373 E374 W375 R380 A382 W384	K236-H377 HydrophobicContact CD-CB 4.3Å; S373-H377 WeakPolarHBondContact O-CB 3.49Å; E374-H377 CarbonylContact O-C 3.59Å; E374-H377 WeakPolarHBondContact O-CA 3.42Å; E374-H377 WeakPolarHBondContact O-CB 3.28Å; E374-H377 PolarHBondContact O-N 3.05Å; W375-H377 PolarHBondContact O-N 2.88Å; H377-R380 CarbonylContact O-C 3.47Å; H377-R380 WeakPolarHBondContact O-CA 3.21Å; H377-R380 PolarHBondContact O-N 2.9Å; H377-A382 HydrophobicContact CB-CB 4.09Å; H377-A382 VanDerWaalsContact CG-CB 3.48Å; H377-A382 WeakPolarHBondContact ND1-CB 3.5Å; H377-A382 VanDerWaalsContact O-CB 3.25Å; H377-A382 WeakPolarHBondContact O-CB 3.38Å; H377-A382 PolarHBondContact O-N 3.41Å; H377-W384 HydrophobicContact CB-CH2 4.33Å; H377-W384 AromaticContact CE1-CZ2 3.71Å; H377-W384 AromaticContact ND1-CH2 3.24Å; H377-W384 WeakPolarHBondContact ND1-CH2 3.37Å; H377-W384 AromaticContact ND1-CZ2 3.18Å; H377-W384 WeakPolarHBondContact ND1-CZ2 3.2Å
378	V	96.8	Very high	96.3	Very high	9 Å²	9	37.6 Å²	37.6	6%	0.055	20%	0.197	C	C	.	.	H	α-helix	trans	-60.1	-46	176.9	173.1	0	0	0	0	110.4	E374 W375 R380 G381 A382 W384 W410 F418	E374-V378 HydrophobicContact CG-CG2 4.39Å; E374-V378 WeakPolarHBondContact O-CG2 3.49Å; E374-V378 PolarHBondContact O-N 3.38Å; W375-V378 PolarHBondContact O-N 2.8Å; W375-V378 VanDerWaalsContact O-N 3.09Å; V378-R380 PolarHBondContact O-N 3.38Å; V378-G381 PolarHBondContact O-N 2.9Å; V378-A382 WeakPolarHBondContact CA-O 3.3Å; V378-A382 WeakPolarHBondContact CG2-O 3.16Å; V378-W384 HydrophobicContact CG2-CZ3 3.96Å; V378-W410 HydrophobicContact CG1-CB 3.68Å; V378-W410 HydrophobicContact CG1-CD2 4.03Å; V378-W410 HydrophobicContact CG1-CE3 3.6Å; V378-W410 HydrophobicContact CG1-CG 4.11Å; V378-W410 HydrophobicContact CG1-CZ3 4.49Å; V378-F418 HydrophobicContact CB-CE2 3.94Å; V378-F418 HydrophobicContact CG1-CD2 4.23Å; V378-F418 HydrophobicContact CG1-CE2 3.9Å; V378-F418 HydrophobicContact CG2-CE2 3.82Å; V378-F418 HydrophobicContact CG2-CZ 4.28Å
379	Q	96	Very high	96.3	Very high	42 Å²	42	38.3 Å²	38.3	20%	0.196	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-13.9	170.9	-177.1	171.9	64.6	0	0	114.4	W375 R376 G412 C413	W375-Q379 WeakPolarHBondContact O-CB 3.34Å; W375-Q379 PolarHBondContact O-N 2.99Å; R376-Q379 VanDerWaalsContact CD-OE1 3.31Å; Q379-G412 PolarHBondContact NE2-O 3.46Å; Q379-G412 PolarHBondContact O-N 3.1Å; Q379-C413 PolarHBondContact NE2-O 3.39Å; Q379-C413 VanDerWaalsContact NE2-O 3.08Å
380	R	95.5	Very high	96.2	Very high	129 Å²	129	38 Å²	38	49%	0.487	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.4	36.9	174.9	-59.5	-170.6	-61.5	-87.6	-14.1	112.5	R376 H377 V378	R376-R380 PolarHBondContact O-NH1 2.82Å; R376-R380 PolarHBondContact O-NH2 3.18Å; H377-R380 CarbonylContact O-C 3.47Å; H377-R380 WeakPolarHBondContact O-CA 3.21Å; H377-R380 PolarHBondContact O-N 2.9Å; V378-R380 PolarHBondContact O-N 3.38Å
381	G	95.1	Very high	96.1	Very high	26 Å²	26	38.2 Å²	38.2	27%	0.268	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.9	13.8	172	0	0	0	0	0	116.3	V378 T383 S411	V378-G381 PolarHBondContact O-N 2.9Å; G381-T383 PolarHBondContact O-N 2.93Å; G381-S411 VanDerWaalsContact CA-OG 3.26Å; G381-S411 WeakPolarHBondContact CA-OG 3.41Å; G381-S411 PolarHBondContact N-OG 3.25Å; G381-S411 VanDerWaalsContact N-OG 3.13Å
382	A	95.3	Very high	95.9	Very high	15 Å²	15	43.5 Å²	43.5	12%	0.124	23%	0.226	C	C	.	.			trans	-88.4	100.4	178.5	0	0	0	0	0	112.4	H377 V378 W384	H377-A382 HydrophobicContact CB-CB 4.09Å; H377-A382 VanDerWaalsContact CG-CB 3.48Å; H377-A382 WeakPolarHBondContact ND1-CB 3.5Å; H377-A382 VanDerWaalsContact O-CB 3.25Å; H377-A382 WeakPolarHBondContact O-CB 3.38Å; H377-A382 PolarHBondContact O-N 3.41Å; V378-A382 WeakPolarHBondContact CA-O 3.3Å; V378-A382 WeakPolarHBondContact CG2-O 3.16Å; A382-W384 HydrophobicContact CB-CH2 4.33Å; A382-W384 HydrophobicContact CB-CZ3 4.38Å
383	T	94.4	Very high	95.7	Very high	40 Å²	40	46.5 Å²	46.5	25%	0.245	26%	0.258	C	S	.	.			trans	-95.7	-35.8	179.1	55.4	0	0	0	0	114.6	G381 K385 Y405 D409	G381-T383 PolarHBondContact O-N 2.93Å; T383-K385 PolarHBondContact O-N 3.37Å; T383-K385 WeakPolarHBondContact OG1-CG 3.48Å; T383-K385 PolarHBondContact OG1-N 3.11Å; T383-Y405 WeakPolarHBondContact CB-OH 3.34Å; T383-Y405 HydrophobicContact CG2-CE1 4.05Å; T383-Y405 HydrophobicContact CG2-CE2 4.15Å; T383-Y405 WeakPolarHBondContact CG2-OH 3.45Å; T383-D409 VanDerWaalsContact CG2-CA 3.49Å; T383-D409 HydrophobicContact CG2-CB 3.28Å
384	W	95.2	Very high	95.6	Very high	38 Å²	38	51 Å²	51	14%	0.144	27%	0.274	C	S	.	.			trans	56.7	23.9	-162.7	-56.2	-87.4	0	0	0	115	Q235 K236 L289 H290 E374 H377 V378 A382 A386 S387	Q235-W384 HydrophobicContact CB-CH2 4.26Å; Q235-W384 HydrophobicContact CB-CZ2 3.97Å; Q235-W384 HydrophobicContact CG-CD2 3.86Å; Q235-W384 VanDerWaalsContact CG-CE2 3.41Å; Q235-W384 HydrophobicContact CG-CE3 4.34Å; Q235-W384 HydrophobicContact CG-CG 4.35Å; Q235-W384 HydrophobicContact CG-CH2 4.04Å; Q235-W384 HydrophobicContact CG-CZ2 3.51Å; Q235-W384 HydrophobicContact CG-CZ3 4.42Å; K236-W384 HydrophobicContact CD-CH2 4.06Å; K236-W384 HydrophobicContact CD-CZ2 4.21Å; L289-W384 HydrophobicContact CD2-CB 4.12Å; H290-W384 AromaticContact CD2-CD1 3.39Å; H290-W384 AromaticContact CD2-NE1 3.42Å; H290-W384 PolarHBondContact CD2-NE1 2.8Å; H290-W384 AromaticContact NE2-CD1 3.8Å; H290-W384 AromaticContact NE2-NE1 3.31Å; H290-W384 PolarHBondContact NE2-NE1 2.98Å; E374-W384 HydrophobicContact CG-CH2 3.91Å; E374-W384 HydrophobicContact CG-CZ3 3.91Å; H377-W384 HydrophobicContact CB-CH2 4.33Å; H377-W384 AromaticContact CE1-CZ2 3.71Å; H377-W384 AromaticContact ND1-CH2 3.24Å; H377-W384 WeakPolarHBondContact ND1-CH2 3.37Å; H377-W384 AromaticContact ND1-CZ2 3.18Å; H377-W384 WeakPolarHBondContact ND1-CZ2 3.2Å; V378-W384 HydrophobicContact CG2-CZ3 3.96Å; A382-W384 HydrophobicContact CB-CH2 4.33Å; A382-W384 HydrophobicContact CB-CZ3 4.38Å; W384-A386 PolarHBondContact O-N 3.2Å; W384-S387 PolarHBondContact O-N 2.87Å; W384-S387 PolarHBondContact O-OG 2.58Å
385	K	92.1	Very high	95.5	Very high	119 Å²	119	54.7 Å²	54.7	52%	0.517	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	15	-178.1	75.3	-176.9	-174.6	-179.6	0	117.5	T383 D408	T383-K385 PolarHBondContact O-N 3.37Å; T383-K385 WeakPolarHBondContact OG1-CG 3.48Å; T383-K385 PolarHBondContact OG1-N 3.11Å; K385-D408 WeakPolarHBondContact CE-O 3.28Å; K385-D408 PolarHBondContact NZ-O 2.93Å; K385-D408 IonicContact NZ-OD1 2.81Å; K385-D408 PolarHBondContact NZ-OD1 3.43Å
386	A	93.5	Very high	95.4	Very high	66 Å²	66	55.3 Å²	55.3	55%	0.545	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.7	14	172.3	0	0	0	0	0	112.4	L289 W384	L289-A386 WeakPolarHBondContact CB-O 3.15Å; L289-A386 HydrophobicContact CD2-CB 4.1Å; W384-A386 PolarHBondContact O-N 3.2Å
387	S	96	Very high	95.4	Very high	18 Å²	18	54.9 Å²	54.9	13%	0.126	31%	0.309	C	S	.	.			trans	-63.5	143.7	157.4	-68.5	0	0	0	0	108.9	L289 W384 H389	L289-S387 WeakPolarHBondContact O-CB 3.44Å; L289-S387 PolarHBondContact O-OG 2.68Å; W384-S387 PolarHBondContact O-N 2.87Å; W384-S387 PolarHBondContact O-OG 2.58Å; S387-H389 WeakPolarHBondContact CB-NE2 3.38Å
388	L	95.8	Very high	95.2	Very high	62 Å²	62	56.5 Å²	56.5	33%	0.325	33%	0.329	S	S	.	.			trans	-93.8	-30.6	-174.5	-53.6	175.3	0	0	0	111.5	E295 P314 V390 P395	E295-L388 WeakPolarHBondContact OE1-CB 3.39Å; P314-L388 HydrophobicContact CG-CD2 4.26Å; L388-V390 HydrophobicContact CB-CG2 3.79Å; L388-V390 PolarHBondContact O-N 2.89Å; L388-P395 WeakPolarHBondContact O-CB 3.35Å
389	H	97	Very high	95.1	Very high	26 Å²	26	64.5 Å²	64.5	12%	0.12	37%	0.365	C	S	.	.			trans	55.7	39.4	-179.5	-65.4	-45.6	0	0	0	112.2	E295 S387 C391 P396 Y443	E295-H389 WeakPolarHBondContact OE1-CA 3.32Å; E295-H389 PolarHBondContact OE1-N 3.31Å; S387-H389 WeakPolarHBondContact CB-NE2 3.38Å; H389-C391 PolarHBondContact O-N 3.45Å; H389-P396 HydrophobicContact CB-CG 3.94Å; H389-P396 WeakPolarHBondContact O-CD 3.29Å; H389-Y443 HydrophobicContact CB-CE2 3.83Å; H389-Y443 PolarHBondContact ND1-OH 3.22Å; H389-Y443 WeakPolarHBondContact O-CE2 3.34Å
390	V	96.3	Very high	95.1	Very high	32 Å²	32	64.1 Å²	64.1	19%	0.194	36%	0.363	C	S	.	.			trans	-72.3	118.6	-175.2	174	0	0	0	0	111.4	E295 L388 R394	E295-V390 HydrophobicContact CG-CB 4.29Å; E295-V390 WeakPolarHBondContact CG-O 3.3Å; E295-V390 PolarHBondContact OE1-N 3.18Å; L388-V390 HydrophobicContact CB-CG2 3.79Å; L388-V390 PolarHBondContact O-N 2.89Å; V390-R394 WeakPolarHBondContact CA-O 3.41Å
391	C	96.9	Very high	95.1	Very high	4 Å²	4	59.9 Å²	59.9	3%	0.027	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-139.9	142.8	175	-175.9	0	0	0	0	108.3	T294 H389 G393 R394 C442 Y443	T294-C391 HydrophobicContact CG2-CB 4.27Å; H389-C391 PolarHBondContact O-N 3.45Å; C391-G393 PolarHBondContact O-N 3.32Å; C391-R394 PolarHBondContact N-O 2.75Å; C391-R394 PolarHBondContact O-N 3.33Å; C391-C442 VanDerWaalsContact C-SG 3.56Å; C391-C442 HydrophobicContact CB-CB 3.57Å; C391-C442 WeakPolarHBondContact CB-SG 3.39Å; C391-C442 VanDerWaalsContact SG-CA 3.53Å; C391-C442 WeakPolarHBondContact SG-CB 3.36Å; C391-C442 CovalentContact SG-SG 2.02Å; C391-C442 PolarHBondContact SG-SG 2.87Å; C391-Y443 HydrophobicContact CB-CE2 4.37Å
392	D	94.2	Very high	95.1	Very high	110 Å²	110	60.9 Å²	60.9	59%	0.588	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.8	36.5	-168.2	-63.7	-22.8	0	0	0	114.3	R394 T438 C442	D392-R394 VanDerWaalsContact C-N 3.31Å; D392-R394 PolarHBondContact O-N 3.42Å; D392-T438 WeakPolarHBondContact OD1-CG2 3.33Å; D392-C442 VanDerWaalsContact CG-SG 3.59Å; D392-C442 PolarHBondContact OD2-SG 2.85Å; D392-C442 VanDerWaalsContact OD2-SG 3.36Å
393	G	92.9	Very high	95	Very high	71 Å²	71	63.2 Å²	63.2	73%	0.732	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-3.4	176.9	0	0	0	0	0	116.2	C391	C391-G393 PolarHBondContact O-N 3.32Å
394	R	94.9	Very high	95.1	Very high	106 Å²	106	62.6 Å²	62.6	40%	0.4	37%	0.365	S	S	.	.	B	Isolated β-bridge	trans	-125.7	156.5	-178.8	65.2	173.5	-174.6	88.6	-6.9	112.9	V390 C391 D392 E400	V390-R394 WeakPolarHBondContact CA-O 3.41Å; C391-R394 PolarHBondContact N-O 2.75Å; C391-R394 PolarHBondContact O-N 3.33Å; D392-R394 VanDerWaalsContact C-N 3.31Å; D392-R394 PolarHBondContact O-N 3.42Å; R394-E400 IonicContact CZ-OE1 2.66Å; R394-E400 IonicContact CZ-OE2 3.46Å; R394-E400 IonicContact NH1-OE1 2.85Å; R394-E400 PolarHBondContact NH1-OE1 3.26Å; R394-E400 IonicContact NH1-OE2 2.68Å; R394-E400 PolarHBondContact NH1-OE2 3.38Å; R394-E400 IonicContact NH2-OE1 2.71Å; R394-E400 PolarHBondContact NH2-OE1 2.7Å; R394-E400 IonicContact NH2-OE2 2.64Å; R394-E400 PolarHBondContact NH2-OE2 2.86Å
395	P	96.1	Very high	95.1	Very high	80 Å²	80	63 Å²	63	52%	0.519	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-70.3	163.1	161.6	33.2	-36.2	0	0	0	111.1	L388	L388-P395 WeakPolarHBondContact O-CB 3.35Å
396	P	96.8	Very high	95	Very high	27 Å²	27	63.9 Å²	63.9	18%	0.175	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-70.6	157.3	169.1	30.3	-34.8	0	0	0	111.8	H389 E400 L401 Y443	H389-P396 HydrophobicContact CB-CG 3.94Å; H389-P396 WeakPolarHBondContact O-CD 3.29Å; P396-E400 VanDerWaalsContact CA-OE2 3.25Å; P396-E400 WeakPolarHBondContact CA-OE2 3.18Å; P396-E400 HydrophobicContact CB-CB 3.99Å; P396-L401 HydrophobicContact CB-CB 4.01Å; P396-L401 HydrophobicContact CG-CB 3.96Å; P396-L401 HydrophobicContact CG-CD1 3.84Å; P396-Y443 HydrophobicContact CB-CD2 3.89Å; P396-Y443 HydrophobicContact CB-CG 4.06Å; P396-Y443 HydrophobicContact CG-CD2 4.08Å; P396-Y443 HydrophobicContact CG-CE2 4.41Å; P396-Y443 HydrophobicContact CG-CG 4.43Å
397	T	95.3	Very high	94.9	Very high	65 Å²	65	64.2 Å²	64.2	40%	0.399	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-76.6	166.3	165.8	74.4	0	0	0	0	110.9	E399 E400 L401	T397-E399 PolarHBondContact O-N 3.29Å; T397-E399 PolarHBondContact OG1-N 3.41Å; T397-E400 PolarHBondContact N-OE2 2.91Å; T397-E400 PolarHBondContact O-N 2.92Å; T397-E400 PolarHBondContact OG1-N 2.86Å; T397-E400 VanDerWaalsContact OG1-N 3.14Å; T397-L401 PolarHBondContact O-N 3.47Å
398	S	93.1	Very high	94.7	Very high	102 Å²	102	69.2 Å²	69.2	71%	0.713	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.6	172.2	-52.5	0	0	0	0	113.8	L401 P402	S398-L401 CarbonylContact O-C 3.44Å; S398-P402 WeakPolarHBondContact O-CA 2.98Å
399	E	94.3	Very high	94.6	Very high	177 Å²	177	69.3 Å²	69.3	83%	0.827	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-41.4	174.4	-59.6	169.5	167.1	0	0	110.6	T397 L401	T397-E399 PolarHBondContact O-N 3.29Å; T397-E399 PolarHBondContact OG1-N 3.41Å; E399-L401 VanDerWaalsContact C-N 3.31Å
400	E	95.6	Very high	94.5	Very high	33 Å²	33	69 Å²	69	15%	0.154	42%	0.416	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-27.8	173.2	-67	175	130.1	0	0	112.4	R394 P396 T397	R394-E400 IonicContact CZ-OE1 2.66Å; R394-E400 IonicContact CZ-OE2 3.46Å; R394-E400 IonicContact NH1-OE1 2.85Å; R394-E400 PolarHBondContact NH1-OE1 3.26Å; R394-E400 IonicContact NH1-OE2 2.68Å; R394-E400 PolarHBondContact NH1-OE2 3.38Å; R394-E400 IonicContact NH2-OE1 2.71Å; R394-E400 PolarHBondContact NH2-OE1 2.7Å; R394-E400 IonicContact NH2-OE2 2.64Å; R394-E400 PolarHBondContact NH2-OE2 2.86Å; P396-E400 VanDerWaalsContact CA-OE2 3.25Å; P396-E400 WeakPolarHBondContact CA-OE2 3.18Å; P396-E400 HydrophobicContact CB-CB 3.99Å; T397-E400 PolarHBondContact N-OE2 2.91Å; T397-E400 PolarHBondContact O-N 2.92Å; T397-E400 PolarHBondContact OG1-N 2.86Å; T397-E400 VanDerWaalsContact OG1-N 3.14Å
401	L	95.6	Very high	94.5	Very high	40 Å²	40	70.5 Å²	70.5	21%	0.209	43%	0.428	C	S	.	.	S	Bend	trans	-143.4	84.7	179.5	-160.8	159.1	0	0	0	111.5	P396 T397 S398 E399 L425 Y443	P396-L401 HydrophobicContact CB-CB 4.01Å; P396-L401 HydrophobicContact CG-CB 3.96Å; P396-L401 HydrophobicContact CG-CD1 3.84Å; T397-L401 PolarHBondContact O-N 3.47Å; S398-L401 CarbonylContact O-C 3.44Å; E399-L401 VanDerWaalsContact C-N 3.31Å; L401-L425 HydrophobicContact CD1-CD1 4.25Å; L401-L425 HydrophobicContact CD1-CD2 4.13Å; L401-L425 HydrophobicContact CD2-CD1 4.19Å; L401-L425 HydrophobicContact CG-CD2 4.38Å; L401-Y443 HydrophobicContact CD1-CD1 3.93Å; L401-Y443 HydrophobicContact CD1-CE1 3.93Å; L401-Y443 HydrophobicContact CD1-CG 4.49Å
402	P	95.6	Very high	94.4	Very high	47 Å²	47	72.9 Å²	72.9	31%	0.305	45%	0.452	S	S	.	.			trans	-70.8	162.1	176.1	-19.3	33.3	0	0	0	114	S398 Y423	S398-P402 WeakPolarHBondContact O-CA 2.98Å; P402-Y423 HydrophobicContact CB-CD1 4.12Å; P402-Y423 HydrophobicContact CB-CD2 3.84Å; P402-Y423 HydrophobicContact CB-CE1 4.13Å; P402-Y423 HydrophobicContact CB-CE2 3.83Å; P402-Y423 HydrophobicContact CB-CG 4.01Å; P402-Y423 HydrophobicContact CG-CD1 4.16Å; P402-Y423 HydrophobicContact CG-CD2 4.49Å; P402-Y423 HydrophobicContact CG-CG 4.19Å; P402-Y423 VanDerWaalsContact O-CD2 3.32Å; P402-Y423 WeakPolarHBondContact O-CD2 3.03Å
403	S	94.2	Very high	94.5	Very high	64 Å²	64	67.8 Å²	67.8	45%	0.448	43%	0.426	S	S	.	.			trans	-97.1	129.8	178.4	-179.7	0	0	0	0	112	Y405 Y423	S403-Y405 PolarHBondContact O-N 2.85Å; S403-Y405 VanDerWaalsContact O-N 3.15Å; S403-Y405 PolarHBondContact OG-N 3.22Å; S403-Y405 PolarHBondContact OG-O 2.93Å; S403-Y423 VanDerWaalsContact C-CE2 3.48Å
404	C	96.1	Very high	94.7	Very high	28 Å²	28	67.5 Å²	67.5	19%	0.189	41%	0.411	C	S	.	.	S	Bend	trans	-71.6	-4.2	179.1	-67.7	0	0	0	0	114.2	W410 C421 Y423 N424	C404-W410 HydrophobicContact CB-CD2 4.14Å; C404-W410 HydrophobicContact CB-CE3 3.74Å; C404-W410 HydrophobicContact CB-CH2 3.29Å; C404-W410 HydrophobicContact CB-CZ2 3.67Å; C404-W410 HydrophobicContact CB-CZ3 3.32Å; C404-C421 HydrophobicContact CB-CB 3.84Å; C404-C421 WeakPolarHBondContact CB-SG 3.47Å; C404-C421 WeakPolarHBondContact SG-CB 3.19Å; C404-C421 CovalentContact SG-SG 2.04Å; C404-C421 PolarHBondContact SG-SG 2.85Å; C404-Y423 HydrophobicContact CB-CE2 4.27Å; C404-N424 VanDerWaalsContact SG-CA 3.56Å
405	Y	94.2	Very high	94.7	Very high	47 Å²	47	63.4 Å²	63.4	18%	0.184	40%	0.397	C	S	.	.	S	Bend	trans	-141.5	150	-176	61.7	-88.3	0	0	0	110.2	T383 S403 D409 W410	T383-Y405 WeakPolarHBondContact CB-OH 3.34Å; T383-Y405 HydrophobicContact CG2-CE1 4.05Å; T383-Y405 HydrophobicContact CG2-CE2 4.15Å; T383-Y405 WeakPolarHBondContact CG2-OH 3.45Å; S403-Y405 PolarHBondContact O-N 2.85Å; S403-Y405 VanDerWaalsContact O-N 3.15Å; S403-Y405 PolarHBondContact OG-N 3.22Å; S403-Y405 PolarHBondContact OG-O 2.93Å; Y405-D409 VanDerWaalsContact CD2-C 3.47Å; Y405-D409 WeakPolarHBondContact CD2-O 2.98Å; Y405-W410 HydrophobicContact CD1-CB 3.68Å; Y405-W410 HydrophobicContact CD1-CD2 4.28Å; Y405-W410 HydrophobicContact CD1-CE3 4.33Å; Y405-W410 HydrophobicContact CD1-CG 4.05Å; Y405-W410 HydrophobicContact CG-CB 3.76Å; Y405-W410 HydrophobicContact CG-CG 4.11Å
406	T	90.8	Very high	94.8	Very high	136 Å²	136	66.2 Å²	66.2	83%	0.834	40%	0.401	S	S	*	.	S	Bend	trans	-90.6	152.7	170.3	51.6	0	0	0	0	110.2
407	G	91.8	Very high	94.8	Very high	73 Å²	73	69.1 Å²	69.1	75%	0.753	41%	0.412	S	S	*	.	S	Bend	trans	75.3	-140.9	178.7	0	0	0	0	0	114.3
408	D	91.4	Very high	94.9	Very high	124 Å²	124	66.1 Å²	66.1	66%	0.663	39%	0.393	S	S	*	.	S	Bend	trans	-85.1	-43.2	-164	-112.2	-46.5	0	0	0	114.3	K385	K385-D408 WeakPolarHBondContact CE-O 3.28Å; K385-D408 PolarHBondContact NZ-O 2.93Å; K385-D408 IonicContact NZ-OD1 2.81Å; K385-D408 PolarHBondContact NZ-OD1 3.43Å
409	D	94.3	Very high	95.1	Very high	64 Å²	64	61.5 Å²	61.5	34%	0.342	36%	0.361	S	S	.	.			trans	-154.4	-179.1	178	68.8	52.1	0	0	0	113.1	T383 Y405 S411	T383-D409 VanDerWaalsContact CG2-CA 3.49Å; T383-D409 HydrophobicContact CG2-CB 3.28Å; Y405-D409 VanDerWaalsContact CD2-C 3.47Å; Y405-D409 WeakPolarHBondContact CD2-O 2.98Å; D409-S411 WeakPolarHBondContact OD1-CB 2.97Å; D409-S411 PolarHBondContact OD1-N 3.09Å; D409-S411 PolarHBondContact OD1-OG 3.38Å
410	W	95.1	Very high	95.3	Very high	19 Å²	19	56.3 Å²	56.3	7%	0.072	34%	0.339	C	S	.	.			trans	-109.8	37.3	-176.9	-152.9	10.2	0	0	0	111.6	V378 C404 Y405 C413 E417 F418 C421	V378-W410 HydrophobicContact CG1-CB 3.68Å; V378-W410 HydrophobicContact CG1-CD2 4.03Å; V378-W410 HydrophobicContact CG1-CE3 3.6Å; V378-W410 HydrophobicContact CG1-CG 4.11Å; V378-W410 HydrophobicContact CG1-CZ3 4.49Å; C404-W410 HydrophobicContact CB-CD2 4.14Å; C404-W410 HydrophobicContact CB-CE3 3.74Å; C404-W410 HydrophobicContact CB-CH2 3.29Å; C404-W410 HydrophobicContact CB-CZ2 3.67Å; C404-W410 HydrophobicContact CB-CZ3 3.32Å; Y405-W410 HydrophobicContact CD1-CB 3.68Å; Y405-W410 HydrophobicContact CD1-CD2 4.28Å; Y405-W410 HydrophobicContact CD1-CE3 4.33Å; Y405-W410 HydrophobicContact CD1-CG 4.05Å; Y405-W410 HydrophobicContact CG-CB 3.76Å; Y405-W410 HydrophobicContact CG-CG 4.11Å; W410-C413 HydrophobicContact CD2-CB 4.22Å; W410-C413 HydrophobicContact CG-CB 3.92Å; W410-C413 PolarHBondContact NE1-SG 3.16Å; W410-C413 VanDerWaalsContact NE1-SG 3.37Å; W410-C413 WeakPolarHBondContact O-CB 3.46Å; W410-E417 HydrophobicContact CZ2-CG 4.33Å; W410-E417 PolarHBondContact NE1-OE1 2.88Å; W410-F418 AromaticContact CE3-CD2 3.93Å; W410-F418 HydrophobicContact CE3-CD2 3.93Å; W410-F418 HydrophobicContact CE3-CE2 4.13Å; W410-F418 HydrophobicContact CH2-CB 4.43Å; W410-F418 AromaticContact CH2-CD2 3.69Å; W410-F418 HydrophobicContact CH2-CD2 3.69Å; W410-F418 HydrophobicContact CH2-CE2 4.36Å; W410-F418 HydrophobicContact CH2-CG 4.36Å; W410-F418 HydrophobicContact CZ2-CD2 4.45Å; W410-F418 AromaticContact CZ3-CD2 3.4Å; W410-F418 HydrophobicContact CZ3-CD2 3.4Å; W410-F418 AromaticContact CZ3-CE2 3.66Å; W410-F418 HydrophobicContact CZ3-CE2 3.66Å; W410-F418 HydrophobicContact CZ3-CG 4.44Å; W410-C421 HydrophobicContact CH2-CB 3.77Å; W410-C421 HydrophobicContact CZ2-CB 4.25Å
411	S	95.8	Very high	95.4	Very high	64 Å²	64	55.3 Å²	55.3	45%	0.448	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	149.2	175.9	-69.7	0	0	0	0	112.2	G381 D409 C413	G381-S411 VanDerWaalsContact CA-OG 3.26Å; G381-S411 WeakPolarHBondContact CA-OG 3.41Å; G381-S411 PolarHBondContact N-OG 3.25Å; G381-S411 VanDerWaalsContact N-OG 3.13Å; D409-S411 WeakPolarHBondContact OD1-CB 2.97Å; D409-S411 PolarHBondContact OD1-N 3.09Å; D409-S411 PolarHBondContact OD1-OG 3.38Å; S411-C413 PolarHBondContact O-N 3.24Å
412	G	94.8	Very high	95.4	Very high	53 Å²	53	58.4 Å²	58.4	55%	0.546	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.7	-31.3	-178.9	0	0	0	0	0	115	Q379	Q379-G412 PolarHBondContact NE2-O 3.46Å; Q379-G412 PolarHBondContact O-N 3.1Å
413	C	95.7	Very high	95.4	Very high	4 Å²	4	61.1 Å²	61.1	3%	0.027	36%	0.363	C	S	.	.			trans	-28.4	117.7	-176.9	-177.7	0	0	0	0	114.4	W375 Q379 W410 S411	W375-C413 PolarHBondContact NE1-O 3.48Å; Q379-C413 PolarHBondContact NE2-O 3.39Å; Q379-C413 VanDerWaalsContact NE2-O 3.08Å; W410-C413 HydrophobicContact CD2-CB 4.22Å; W410-C413 HydrophobicContact CG-CB 3.92Å; W410-C413 PolarHBondContact NE1-SG 3.16Å; W410-C413 VanDerWaalsContact NE1-SG 3.37Å; W410-C413 WeakPolarHBondContact O-CB 3.46Å; S411-C413 PolarHBondContact O-N 3.24Å
414	P	96.3	Very high	95.6	Very high	65 Å²	65	58.7 Å²	58.7	42%	0.422	34%	0.344	S	S	.	.			trans	-73.2	157.5	175	31.6	-34.2	0	0	0	111.4	K416 E417 F418	P414-K416 VanDerWaalsContact C-N 3.25Å; P414-K416 PolarHBondContact O-N 3.36Å; P414-E417 VanDerWaalsContact CD-OE2 3.31Å; P414-E417 WeakPolarHBondContact CD-OE2 2.97Å; P414-E417 HydrophobicContact CG-CB 3.77Å; P414-E417 PolarHBondContact O-N 3.06Å; P414-F418 PolarHBondContact O-N 3.05Å; P414-F418 VanDerWaalsContact O-N 3.08Å
415	L	96.7	Very high	95.7	Very high	20 Å²	20	59.2 Å²	59.2	11%	0.105	35%	0.345	C	S	.	.	H	α-helix	trans	-59.6	-35.7	-176.3	179.9	56.3	0	0	0	112.6	L372 W375 F418 M419 I509 I513	L372-L415 HydrophobicContact CD2-CD1 4.23Å; L372-L415 HydrophobicContact CD2-CD2 4.02Å; W375-L415 HydrophobicContact CB-CD1 4.3Å; W375-L415 HydrophobicContact CD2-CB 3.95Å; W375-L415 HydrophobicContact CD2-CD1 3.75Å; W375-L415 HydrophobicContact CD2-CG 4.36Å; W375-L415 HydrophobicContact CE3-CB 4.1Å; W375-L415 HydrophobicContact CE3-CD1 3.79Å; W375-L415 HydrophobicContact CE3-CD2 4.26Å; W375-L415 HydrophobicContact CE3-CG 4.26Å; W375-L415 HydrophobicContact CG-CD1 3.93Å; W375-L415 HydrophobicContact CH2-CB 3.8Å; W375-L415 HydrophobicContact CZ2-CB 3.67Å; W375-L415 HydrophobicContact CZ3-CB 4Å; W375-L415 HydrophobicContact CZ3-CD1 4.39Å; W375-L415 HydrophobicContact CZ3-CD2 4.08Å; W375-L415 HydrophobicContact CZ3-CG 4.39Å; L415-F418 PolarHBondContact O-N 3.35Å; L415-M419 HydrophobicContact CD1-CG 4.03Å; L415-M419 HydrophobicContact CD1-SD 3.66Å; L415-M419 HydrophobicContact CD2-SD 4.35Å; L415-M419 HydrophobicContact CG-CG 4.48Å; L415-M419 HydrophobicContact CG-SD 3.66Å; L415-M419 WeakPolarHBondContact O-CB 3.47Å; L415-M419 VanDerWaalsContact O-CG 3.27Å; L415-M419 WeakPolarHBondContact O-CG 3.41Å; L415-M419 PolarHBondContact O-N 3.47Å; L415-I509 HydrophobicContact CD2-CG2 4.19Å; L415-I513 HydrophobicContact CD2-CG2 3.81Å
416	K	96.6	Very high	95.9	Very high	138 Å²	138	57 Å²	57	60%	0.6	34%	0.336	S	S	*	.	H	α-helix	trans	-60	-54.5	176.9	-176.3	179.2	-176.6	-63.5	0	111.4	P414 F418 M419 D420	P414-K416 VanDerWaalsContact C-N 3.25Å; P414-K416 PolarHBondContact O-N 3.36Å; K416-F418 VanDerWaalsContact C-N 3.29Å; K416-F418 PolarHBondContact O-N 3.49Å; K416-M419 CarbonylContact O-C 3.58Å; K416-M419 WeakPolarHBondContact O-CA 3.49Å; K416-M419 PolarHBondContact O-N 2.71Å; K416-D420 WeakPolarHBondContact CG-OD2 3.49Å; K416-D420 IonicContact NZ-OD2 2.62Å; K416-D420 PolarHBondContact NZ-OD2 3.03Å; K416-D420 WeakPolarHBondContact O-CB 2.99Å; K416-D420 PolarHBondContact O-N 3.28Å; K416-D420 VanDerWaalsContact O-OD1 3.09Å
417	E	97.1	Very high	96.3	Very high	89 Å²	89	51.5 Å²	51.5	42%	0.416	30%	0.302	S	S	.	.	H	α-helix	trans	-59.6	-39.8	178.6	-170.7	-169.4	126.1	0	0	111.9	W410 P414 M419 D420 C421	W410-E417 HydrophobicContact CZ2-CG 4.33Å; W410-E417 PolarHBondContact NE1-OE1 2.88Å; P414-E417 VanDerWaalsContact CD-OE2 3.31Å; P414-E417 WeakPolarHBondContact CD-OE2 2.97Å; P414-E417 HydrophobicContact CG-CB 3.77Å; P414-E417 PolarHBondContact O-N 3.06Å; E417-M419 VanDerWaalsContact C-N 3.27Å; E417-M419 PolarHBondContact O-N 2.02Å; E417-D420 PolarHBondContact O-N 2.03Å; E417-C421 PolarHBondContact O-N 3.15Å
418	F	98.1	Very high	96.6	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	27%	0.273	C	S	.	.	H	α-helix	trans	-59.7	-37	174.4	-168.2	-102.4	0	0	0	113	Y371 E374 W375 V378 W410 P414 L415 K416 N424 A426	Y371-F418 HydrophobicContact CD1-CD1 4.49Å; Y371-F418 HydrophobicContact CD1-CE1 4.24Å; Y371-F418 HydrophobicContact CD2-CE1 4.47Å; Y371-F418 AromaticContact CE1-CD1 3.66Å; Y371-F418 HydrophobicContact CE1-CD1 3.66Å; Y371-F418 AromaticContact CE1-CE1 3.71Å; Y371-F418 HydrophobicContact CE1-CE1 3.71Å; Y371-F418 AromaticContact CE2-CE1 3.97Å; Y371-F418 HydrophobicContact CE2-CE1 3.97Å; Y371-F418 AromaticContact CZ-CD1 3.69Å; Y371-F418 AromaticContact CZ-CE1 3.57Å; Y371-F418 PolarHBondContact OH-O 3.03Å; E374-F418 HydrophobicContact CG-CZ 4.48Å; W375-F418 HydrophobicContact CB-CD1 3.61Å; W375-F418 HydrophobicContact CB-CD2 4.48Å; W375-F418 HydrophobicContact CB-CE1 3.67Å; W375-F418 HydrophobicContact CB-CG 4.02Å; W375-F418 HydrophobicContact CB-CZ 4.15Å; W375-F418 AromaticContact CD1-CG 3.7Å; W375-F418 HydrophobicContact CG-CB 4.37Å; W375-F418 HydrophobicContact CG-CD1 4.13Å; W375-F418 HydrophobicContact CG-CG 4.15Å; V378-F418 HydrophobicContact CB-CE2 3.94Å; V378-F418 HydrophobicContact CG1-CD2 4.23Å; V378-F418 HydrophobicContact CG1-CE2 3.9Å; V378-F418 HydrophobicContact CG2-CE2 3.82Å; V378-F418 HydrophobicContact CG2-CZ 4.28Å; W410-F418 AromaticContact CE3-CD2 3.93Å; W410-F418 HydrophobicContact CE3-CD2 3.93Å; W410-F418 HydrophobicContact CE3-CE2 4.13Å; W410-F418 HydrophobicContact CH2-CB 4.43Å; W410-F418 AromaticContact CH2-CD2 3.69Å; W410-F418 HydrophobicContact CH2-CD2 3.69Å; W410-F418 HydrophobicContact CH2-CE2 4.36Å; W410-F418 HydrophobicContact CH2-CG 4.36Å; W410-F418 HydrophobicContact CZ2-CD2 4.45Å; W410-F418 AromaticContact CZ3-CD2 3.4Å; W410-F418 HydrophobicContact CZ3-CD2 3.4Å; W410-F418 AromaticContact CZ3-CE2 3.66Å; W410-F418 HydrophobicContact CZ3-CE2 3.66Å; W410-F418 HydrophobicContact CZ3-CG 4.44Å; P414-F418 PolarHBondContact O-N 3.05Å; P414-F418 VanDerWaalsContact O-N 3.08Å; L415-F418 PolarHBondContact O-N 3.35Å; K416-F418 VanDerWaalsContact C-N 3.29Å; K416-F418 PolarHBondContact O-N 3.49Å; F418-N424 WeakPolarHBondContact CE1-ND2 3.25Å; F418-N424 VanDerWaalsContact CE2-ND2 3.34Å; F418-N424 WeakPolarHBondContact CE2-ND2 3.47Å; F418-N424 VanDerWaalsContact CZ-ND2 3.34Å; F418-N424 WeakPolarHBondContact CZ-ND2 3.39Å; F418-N424 PolarHBondContact O-ND2 3.44Å; F418-A426 HydrophobicContact CE1-CB 3.72Å; F418-A426 HydrophobicContact CZ-CB 3.48Å; F418-A426 VanDerWaalsContact CZ-CB 3.48Å
419	M	98.1	Very high	96.9	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.03	24%	0.242	C	C	.	.	H	α-helix	trans	-84.4	-18.8	177.7	-70.7	170.6	64.8	0	0	113.9	Y371 L415 K416 E417 I513 R516 I517 L520	Y371-M419 HydrophobicContact CE1-CG 3.78Å; L415-M419 HydrophobicContact CD1-CG 4.03Å; L415-M419 HydrophobicContact CD1-SD 3.66Å; L415-M419 HydrophobicContact CD2-SD 4.35Å; L415-M419 HydrophobicContact CG-CG 4.48Å; L415-M419 HydrophobicContact CG-SD 3.66Å; L415-M419 WeakPolarHBondContact O-CB 3.47Å; L415-M419 VanDerWaalsContact O-CG 3.27Å; L415-M419 WeakPolarHBondContact O-CG 3.41Å; L415-M419 PolarHBondContact O-N 3.47Å; K416-M419 CarbonylContact O-C 3.58Å; K416-M419 WeakPolarHBondContact O-CA 3.49Å; K416-M419 PolarHBondContact O-N 2.71Å; E417-M419 VanDerWaalsContact C-N 3.27Å; E417-M419 PolarHBondContact O-N 2.02Å; M419-I513 HydrophobicContact CE-CG2 4.5Å; M419-I513 HydrophobicContact SD-CG2 4.31Å; M419-R516 HydrophobicContact CE-CB 3.65Å; M419-R516 HydrophobicContact CE-CG 3.47Å; M419-R516 VanDerWaalsContact CE-CG 3.47Å; M419-R516 PolarHBondContact O-NH2 2.97Å; M419-I517 HydrophobicContact CE-CG1 3.55Å; M419-I517 HydrophobicContact CG-CG1 4.49Å; M419-I517 HydrophobicContact SD-CD1 4.15Å; M419-I517 HydrophobicContact SD-CG1 3.66Å; M419-L520 HydrophobicContact CB-CD1 3.69Å; M419-L520 HydrophobicContact CE-CD1 4.04Å; M419-L520 HydrophobicContact CG-CD1 3.83Å
420	D	97.8	Very high	97.2	Very high	68 Å²	68	40.7 Å²	40.7	36%	0.364	23%	0.226	S	C	.	.	H	α-helix	trans	-85.8	-22.3	-179.4	-67.8	-4.3	0	0	0	112.4	K416 E417 P422 R516	K416-D420 WeakPolarHBondContact CG-OD2 3.49Å; K416-D420 IonicContact NZ-OD2 2.62Å; K416-D420 PolarHBondContact NZ-OD2 3.03Å; K416-D420 WeakPolarHBondContact O-CB 2.99Å; K416-D420 PolarHBondContact O-N 3.28Å; K416-D420 VanDerWaalsContact O-OD1 3.09Å; E417-D420 PolarHBondContact O-N 2.03Å; D420-P422 WeakPolarHBondContact O-CD 3.37Å; D420-R516 IonicContact OD1-CZ 3.31Å; D420-R516 IonicContact OD1-NH1 3.11Å; D420-R516 PolarHBondContact OD1-NH1 3.23Å; D420-R516 IonicContact OD1-NH2 3.46Å; D420-R516 PolarHBondContact OD1-NH2 3.4Å
421	C	97.6	Very high	97.3	Very high	12 Å²	12	39.8 Å²	39.8	8%	0.081	22%	0.223	C	C	.	.			trans	-69.9	115.3	174.4	-178.1	0	0	0	0	111.8	C404 W410 E417 Y423 N424	C404-C421 HydrophobicContact CB-CB 3.84Å; C404-C421 WeakPolarHBondContact CB-SG 3.47Å; C404-C421 WeakPolarHBondContact SG-CB 3.19Å; C404-C421 CovalentContact SG-SG 2.04Å; C404-C421 PolarHBondContact SG-SG 2.85Å; W410-C421 HydrophobicContact CH2-CB 3.77Å; W410-C421 HydrophobicContact CZ2-CB 4.25Å; E417-C421 PolarHBondContact O-N 3.15Å; C421-Y423 VanDerWaalsContact SG-CD2 3.54Å; C421-Y423 WeakPolarHBondContact SG-CE2 3.02Å; C421-N424 HydrophobicContact CB-CB 4.14Å; C421-N424 WeakPolarHBondContact O-CB 3.3Å; C421-N424 PolarHBondContact O-N 3.12Å
422	P	96	Very high	97.5	Very high	105 Å²	105	38 Å²	38	68%	0.682	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-37.5	-171.5	26.3	-32.3	0	0	0	113.2	D420 N424 N427	D420-P422 WeakPolarHBondContact O-CD 3.37Å; P422-N424 VanDerWaalsContact C-N 3.27Å; P422-N424 PolarHBondContact O-N 3.22Å; P422-N427 PolarHBondContact O-ND2 3.43Å
423	Y	94.8	Very high	97.7	Very high	104 Å²	104	35.7 Å²	35.7	41%	0.408	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	18.8	178.8	46.1	-98.9	0	0	0	113.2	P402 S403 C404 C421 L425	P402-Y423 HydrophobicContact CB-CD1 4.12Å; P402-Y423 HydrophobicContact CB-CD2 3.84Å; P402-Y423 HydrophobicContact CB-CE1 4.13Å; P402-Y423 HydrophobicContact CB-CE2 3.83Å; P402-Y423 HydrophobicContact CB-CG 4.01Å; P402-Y423 HydrophobicContact CG-CD1 4.16Å; P402-Y423 HydrophobicContact CG-CD2 4.49Å; P402-Y423 HydrophobicContact CG-CG 4.19Å; P402-Y423 VanDerWaalsContact O-CD2 3.32Å; P402-Y423 WeakPolarHBondContact O-CD2 3.03Å; S403-Y423 VanDerWaalsContact C-CE2 3.48Å; C404-Y423 HydrophobicContact CB-CE2 4.27Å; C421-Y423 VanDerWaalsContact SG-CD2 3.54Å; C421-Y423 WeakPolarHBondContact SG-CE2 3.02Å; Y423-L425 PolarHBondContact O-N 3.45Å; Y423-L425 VanDerWaalsContact O-N 3.13Å
424	N	98.1	Very high	97.8	Very high	12 Å²	12	35.5 Å²	35.5	6%	0.064	18%	0.18	C	C	.	.			trans	-62.6	114.2	176.5	-175.1	-8	0	0	0	111.4	C404 F418 C421 P422 A426 N427	C404-N424 VanDerWaalsContact SG-CA 3.56Å; F418-N424 WeakPolarHBondContact CE1-ND2 3.25Å; F418-N424 VanDerWaalsContact CE2-ND2 3.34Å; F418-N424 WeakPolarHBondContact CE2-ND2 3.47Å; F418-N424 VanDerWaalsContact CZ-ND2 3.34Å; F418-N424 WeakPolarHBondContact CZ-ND2 3.39Å; F418-N424 PolarHBondContact O-ND2 3.44Å; C421-N424 HydrophobicContact CB-CB 4.14Å; C421-N424 WeakPolarHBondContact O-CB 3.3Å; C421-N424 PolarHBondContact O-N 3.12Å; P422-N424 VanDerWaalsContact C-N 3.27Å; P422-N424 PolarHBondContact O-N 3.22Å; N424-A426 PolarHBondContact O-N 3.5Å; N424-A426 VanDerWaalsContact OD1-CB 3.25Å; N424-A426 WeakPolarHBondContact OD1-CB 3.28Å; N424-A426 PolarHBondContact OD1-N 3.25Å; N424-N427 VanDerWaalsContact O-CB 3.29Å; N424-N427 WeakPolarHBondContact O-CB 3.48Å; N424-N427 PolarHBondContact O-N 3.19Å
425	L	98.3	Very high	98	Very high	39 Å²	39	32.4 Å²	32.4	20%	0.204	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-9.7	178.3	-66.8	-176.3	0	0	0	114.6	L401 Y423 N427 R429 R432	L401-L425 HydrophobicContact CD1-CD1 4.25Å; L401-L425 HydrophobicContact CD1-CD2 4.13Å; L401-L425 HydrophobicContact CD2-CD1 4.19Å; L401-L425 HydrophobicContact CG-CD2 4.38Å; Y423-L425 PolarHBondContact O-N 3.45Å; Y423-L425 VanDerWaalsContact O-N 3.13Å; L425-N427 VanDerWaalsContact C-N 3.29Å; L425-R429 PolarHBondContact O-NE 3.44Å; L425-R429 PolarHBondContact O-NH2 3.08Å; L425-R432 PolarHBondContact O-NH1 3.34Å; L425-R432 PolarHBondContact O-NH2 2.83Å
426	A	98.6	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-28.6	168.2	0	0	0	0	0	112.8	R370 Y371 E374 F418 N424 N521	R370-A426 PolarHBondContact NH1-O 3.03Å; R370-A426 PolarHBondContact NH2-O 3.08Å; Y371-A426 HydrophobicContact CD2-CB 3.86Å; Y371-A426 HydrophobicContact CE2-CB 3.61Å; E374-A426 HydrophobicContact CG-CB 4.26Å; E374-A426 WeakPolarHBondContact OE1-CA 3.28Å; E374-A426 WeakPolarHBondContact OE1-CB 3.31Å; F418-A426 HydrophobicContact CE1-CB 3.72Å; F418-A426 HydrophobicContact CZ-CB 3.48Å; F418-A426 VanDerWaalsContact CZ-CB 3.48Å; N424-A426 PolarHBondContact O-N 3.5Å; N424-A426 VanDerWaalsContact OD1-CB 3.25Å; N424-A426 WeakPolarHBondContact OD1-CB 3.28Å; N424-A426 PolarHBondContact OD1-N 3.25Å; A426-N521 PolarHBondContact O-OD1 2.88Å
427	N	98.7	Very high	98.1	Very high	21 Å²	21	26.5 Å²	26.5	11%	0.112	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	132.2	177.4	-59.4	-15.3	0	0	0	109.7	Y371 P422 N424 L425 R429 R432	Y371-N427 VanDerWaalsContact CE2-OD1 3.27Å; Y371-N427 WeakPolarHBondContact CE2-OD1 3.45Å; Y371-N427 PolarHBondContact OH-OD1 2.86Å; P422-N427 PolarHBondContact O-ND2 3.43Å; N424-N427 VanDerWaalsContact O-CB 3.29Å; N424-N427 WeakPolarHBondContact O-CB 3.48Å; N424-N427 PolarHBondContact O-N 3.19Å; L425-N427 VanDerWaalsContact C-N 3.29Å; N427-R429 PolarHBondContact O-N 3.12Å; N427-R432 PolarHBondContact O-NH1 2.81Å
428	N	98.8	Very high	98.2	Very high	25 Å²	25	24.8 Å²	24.8	13%	0.134	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	38.1	178.9	-68.1	-47.2	0	0	0	114.6	Q430 R432 N521 F522 L523 D524	N428-Q430 PolarHBondContact O-N 3.21Å; N428-R432 WeakPolarHBondContact O-CB 3.34Å; N428-R432 PolarHBondContact O-N 3.48Å; N428-N521 PolarHBondContact N-OD1 3.01Å; N428-N521 VanDerWaalsContact OD1-CA 3.25Å; N428-N521 WeakPolarHBondContact OD1-CA 3.39Å; N428-N521 PolarHBondContact OD1-O 3.49Å; N428-F522 PolarHBondContact OD1-N 3.29Å; N428-L523 HydrophobicContact CB-CB 4.36Å; N428-L523 HydrophobicContact CB-CD1 4.44Å; N428-L523 WeakPolarHBondContact OD1-CB 3.33Å; N428-L523 PolarHBondContact OD1-N 3.47Å; N428-D524 WeakPolarHBondContact CA-OD1 3.34Å; N428-D524 PolarHBondContact OD1-N 3.37Å; N428-D524 VanDerWaalsContact OD1-N 3.15Å
429	R	98.9	Very high	98.2	Very high	8 Å²	8	29 Å²	29	3%	0.03	15%	0.153	C	C	.	.	H	α-helix	trans	-64.1	-41.5	-172	180	178.9	-75.1	-72.2	-0.3	113.4	I234 Q235 E374 L425 N427 M433 D524	I234-R429 HydrophobicContact CG2-CG 4Å; Q235-R429 VanDerWaalsContact CD-NH1 3.29Å; Q235-R429 VanDerWaalsContact OE1-NH1 3.09Å; E374-R429 VanDerWaalsContact CD-NE 3.27Å; E374-R429 IonicContact OE1-CZ 3.44Å; E374-R429 IonicContact OE1-NE 3.11Å; E374-R429 PolarHBondContact OE1-NE 2.84Å; E374-R429 IonicContact OE1-NH2 2.6Å; E374-R429 PolarHBondContact OE1-NH2 3.46Å; E374-R429 WeakPolarHBondContact OE2-CD 3.33Å; E374-R429 IonicContact OE2-CZ 2.71Å; E374-R429 IonicContact OE2-NE 3.68Å; E374-R429 PolarHBondContact OE2-NE 2.66Å; L425-R429 PolarHBondContact O-NE 3.44Å; L425-R429 PolarHBondContact O-NH2 3.08Å; N427-R429 PolarHBondContact O-N 3.12Å; R429-M433 HydrophobicContact CG-CG 4.17Å; R429-M433 HydrophobicContact CG-SD 3.55Å; R429-M433 VanDerWaalsContact CG-SD 3.55Å; R429-M433 VanDerWaalsContact O-CB 3.28Å; R429-M433 WeakPolarHBondContact O-CB 3.44Å; R429-M433 VanDerWaalsContact O-CG 3.28Å; R429-M433 WeakPolarHBondContact O-CG 3.49Å; R429-M433 PolarHBondContact O-N 2.98Å; R429-D524 PolarHBondContact N-OD1 2.94Å
430	Q	98.9	Very high	98.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-69	-42.6	-177.2	-63.9	173.2	112.5	0	0	110.8	I234 T237 L364 R365 N428 M433 L434 D524 L527	I234-Q430 HydrophobicContact CD1-CB 4.29Å; I234-Q430 HydrophobicContact CD1-CG 4.2Å; I234-Q430 HydrophobicContact CG2-CG 4.12Å; T237-Q430 HydrophobicContact CG2-CG 4.34Å; L364-Q430 HydrophobicContact CD2-CG 4.45Å; R365-Q430 PolarHBondContact O-NE2 2.94Å; R365-Q430 PolarHBondContact O-OE1 2.96Å; N428-Q430 PolarHBondContact O-N 3.21Å; Q430-M433 PolarHBondContact O-N 3.5Å; Q430-L434 WeakPolarHBondContact O-CB 3.39Å; Q430-L434 WeakPolarHBondContact O-CD1 3.32Å; Q430-L434 VanDerWaalsContact O-CG 3.27Å; Q430-L434 WeakPolarHBondContact O-CG 3.19Å; Q430-L434 PolarHBondContact O-N 2.99Å; Q430-L434 VanDerWaalsContact O-N 3.13Å; Q430-D524 WeakPolarHBondContact CA-OD1 3.03Å; Q430-D524 WeakPolarHBondContact CB-OD1 3.34Å; Q430-D524 WeakPolarHBondContact CB-OD2 3.44Å; Q430-D524 WeakPolarHBondContact CG-OD2 3.5Å; Q430-D524 PolarHBondContact N-OD1 3.19Å; Q430-D524 PolarHBondContact N-OD2 2.04Å; Q430-D524 PolarHBondContact NE2-OD2 3.14Å; Q430-L527 HydrophobicContact CB-CD2 4.04Å
431	V	98.9	Very high	98.1	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.006	14%	0.144	C	C	.	.	H	α-helix	trans	-60.6	-54.4	172.8	167.4	0	0	0	0	110.8	M433 L434 S435 L457 L458 A461 L523 D524 L527	V431-M433 VanDerWaalsContact C-N 3.25Å; V431-M433 PolarHBondContact O-N 3.22Å; V431-L434 PolarHBondContact O-N 2.94Å; V431-L434 VanDerWaalsContact O-N 3.09Å; V431-S435 WeakPolarHBondContact O-CB 3.25Å; V431-S435 PolarHBondContact O-N 3.49Å; V431-S435 PolarHBondContact O-OG 3.34Å; V431-L457 HydrophobicContact CG1-CB 3.85Å; V431-L458 HydrophobicContact CG2-CD1 3.93Å; V431-A461 HydrophobicContact CB-CB 4.37Å; V431-A461 HydrophobicContact CG1-CB 4.13Å; V431-A461 HydrophobicContact CG2-CB 4.34Å; V431-L523 HydrophobicContact CB-CB 4.18Å; V431-L523 HydrophobicContact CG1-CB 4.2Å; V431-L523 HydrophobicContact CG1-CD1 4.37Å; V431-L523 VanDerWaalsContact CG2-C 3.5Å; V431-L523 HydrophobicContact CG2-CB 3.82Å; V431-L523 VanDerWaalsContact CG2-O 3.31Å; V431-L523 WeakPolarHBondContact CG2-O 3.29Å; V431-D524 PolarHBondContact N-OD1 3.21Å; V431-L527 HydrophobicContact CB-CD2 4.39Å; V431-L527 HydrophobicContact CG2-CB 3.58Å; V431-L527 HydrophobicContact CG2-CD2 3.53Å; V431-L527 HydrophobicContact CG2-CG 4.1Å
432	R	98.8	Very high	98.1	Very high	26 Å²	26	26.1 Å²	26.1	10%	0.098	14%	0.142	C	C	.	.	H	α-helix	trans	-58	-37.5	-178.4	-170.2	-175.6	65.1	-106.1	-5.3	112.5	L425 N427 N428 L437	L425-R432 PolarHBondContact O-NH1 3.34Å; L425-R432 PolarHBondContact O-NH2 2.83Å; N427-R432 PolarHBondContact O-NH1 2.81Å; N428-R432 WeakPolarHBondContact O-CB 3.34Å; N428-R432 PolarHBondContact O-N 3.48Å; R432-L437 HydrophobicContact CG-CD1 4.39Å; R432-L437 HydrophobicContact CG-CD2 3.93Å
433	M	98.9	Very high	98.2	Very high	5 Å²	5	21.8 Å²	21.8	3%	0.025	11%	0.112	C	C	.	.	H	α-helix	trans	-84.6	-6.1	-178.7	-67.4	-176.4	66.6	0	0	115.1	I234 Q235 H290 D292 W293 R429 Q430 V431	I234-M433 HydrophobicContact CG1-CB 4.31Å; I234-M433 HydrophobicContact CG2-SD 3.95Å; Q235-M433 PolarHBondContact OE1-SD 3.32Å; H290-M433 HydrophobicContact CB-CE 4.43Å; H290-M433 WeakPolarHBondContact O-CE 3.31Å; D292-M433 HydrophobicContact CB-CB 3.83Å; D292-M433 HydrophobicContact CB-CE 4.08Å; D292-M433 HydrophobicContact CB-CG 3.94Å; W293-M433 PolarHBondContact N-O 2.92Å; R429-M433 HydrophobicContact CG-CG 4.17Å; R429-M433 HydrophobicContact CG-SD 3.55Å; R429-M433 VanDerWaalsContact CG-SD 3.55Å; R429-M433 VanDerWaalsContact O-CB 3.28Å; R429-M433 WeakPolarHBondContact O-CB 3.44Å; R429-M433 VanDerWaalsContact O-CG 3.28Å; R429-M433 WeakPolarHBondContact O-CG 3.49Å; R429-M433 PolarHBondContact O-N 2.98Å; Q430-M433 PolarHBondContact O-N 3.5Å; V431-M433 VanDerWaalsContact C-N 3.25Å; V431-M433 PolarHBondContact O-N 3.22Å
434	L	98.9	Very high	98.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-110.3	-15.9	174.4	-70.1	170.8	0	0	0	113.3	L232 I234 T362 L364 Q430 V431 A461 N464 L465 M468 L527	L232-L434 HydrophobicContact CD1-CD2 4.11Å; I234-L434 HydrophobicContact CD1-CD1 4.2Å; I234-L434 HydrophobicContact CD1-CD2 4.37Å; I234-L434 HydrophobicContact CD1-CG 4.04Å; T362-L434 HydrophobicContact CG2-CD2 4.19Å; L364-L434 HydrophobicContact CD2-CD1 3.89Å; Q430-L434 WeakPolarHBondContact O-CB 3.39Å; Q430-L434 WeakPolarHBondContact O-CD1 3.32Å; Q430-L434 VanDerWaalsContact O-CG 3.27Å; Q430-L434 WeakPolarHBondContact O-CG 3.19Å; Q430-L434 PolarHBondContact O-N 2.99Å; Q430-L434 VanDerWaalsContact O-N 3.13Å; V431-L434 PolarHBondContact O-N 2.94Å; V431-L434 VanDerWaalsContact O-N 3.09Å; L434-A461 HydrophobicContact CB-CB 3.9Å; L434-N464 VanDerWaalsContact O-CB 3.3Å; L434-N464 WeakPolarHBondContact O-CB 3.25Å; L434-N464 PolarHBondContact O-ND2 2.6Å; L434-L465 HydrophobicContact CD1-CD1 4.17Å; L434-M468 HydrophobicContact CD2-CE 3.48Å; L434-M468 VanDerWaalsContact CD2-CE 3.48Å; L434-M468 HydrophobicContact CD2-SD 4.44Å; L434-L527 HydrophobicContact CD1-CD2 3.89Å
435	S	98.8	Very high	98.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-70	150.8	173.9	-54.9	0	0	0	0	111.1	T294 V431 L457	T294-S435 PolarHBondContact OG1-O 2.94Å; V431-S435 WeakPolarHBondContact O-CB 3.25Å; V431-S435 PolarHBondContact O-N 3.49Å; V431-S435 PolarHBondContact O-OG 3.34Å; S435-L457 WeakPolarHBondContact OG-CD2 3.35Å; S435-L457 PolarHBondContact OG-O 2.75Å
436	D	98.6	Very high	98	Very high	31 Å²	31	28 Å²	28	17%	0.166	16%	0.161	C	C	.	.			trans	-72.5	115.5	150	-170.9	-24.5	0	0	0	108.3	W293 T438 L439 S460	W293-D436 HydrophobicContact CE3-CB 3.92Å; W293-D436 HydrophobicContact CH2-CB 3.92Å; W293-D436 HydrophobicContact CZ3-CB 3.37Å; W293-D436 VanDerWaalsContact CZ3-CG 3.44Å; W293-D436 WeakPolarHBondContact CZ3-OD2 3.36Å; D436-T438 VanDerWaalsContact OD1-CB 3.31Å; D436-T438 WeakPolarHBondContact OD1-CB 3.18Å; D436-T438 WeakPolarHBondContact OD1-CG2 3.08Å; D436-T438 PolarHBondContact OD1-N 3.26Å; D436-T438 PolarHBondContact OD1-OG1 2.72Å; D436-T438 PolarHBondContact OD2-OG1 3.24Å; D436-L439 HydrophobicContact CB-CD1 3.8Å; D436-L439 HydrophobicContact CB-CG 3.86Å; D436-S460 PolarHBondContact N-OG 3.47Å
437	L	98.4	Very high	97.8	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	18%	0.184	C	C	.	.	S	Bend	trans	-82	-17.8	-178.8	-61.9	-179.4	0	0	0	112.6	T294 R432 L439 V440 C442 Y443 L457	T294-L437 HydrophobicContact CG2-CB 4.46Å; T294-L437 PolarHBondContact OG1-N 3.03Å; R432-L437 HydrophobicContact CG-CD1 4.39Å; R432-L437 HydrophobicContact CG-CD2 3.93Å; L437-L439 VanDerWaalsContact C-N 3.25Å; L437-L439 PolarHBondContact O-N 3.31Å; L437-V440 WeakPolarHBondContact O-CG2 3.43Å; L437-V440 PolarHBondContact O-N 2.89Å; L437-C442 VanDerWaalsContact O-CA 3.28Å; L437-C442 WeakPolarHBondContact O-CA 3.39Å; L437-C442 PolarHBondContact O-N 3.44Å; L437-Y443 HydrophobicContact CD1-CE1 4.36Å; L437-Y443 HydrophobicContact CD1-CE2 4.22Å; L437-Y443 WeakPolarHBondContact CD1-OH 3.36Å; L437-L457 HydrophobicContact CD2-CD2 3.61Å
438	T	98.1	Very high	97.8	Very high	54 Å²	54	32.5 Å²	32.5	33%	0.331	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-64	-35.3	178.1	71.5	0	0	0	0	110.8	T294 D392 D436 V440 G441	T294-T438 HydrophobicContact CG2-CG2 4.12Å; D392-T438 WeakPolarHBondContact OD1-CG2 3.33Å; D436-T438 VanDerWaalsContact OD1-CB 3.31Å; D436-T438 WeakPolarHBondContact OD1-CB 3.18Å; D436-T438 WeakPolarHBondContact OD1-CG2 3.08Å; D436-T438 PolarHBondContact OD1-N 3.26Å; D436-T438 PolarHBondContact OD1-OG1 2.72Å; D436-T438 PolarHBondContact OD2-OG1 3.24Å; T438-V440 PolarHBondContact O-N 3.18Å; T438-G441 PolarHBondContact O-N 3.11Å
439	L	98.2	Very high	97.7	Very high	90 Å²	90	35.6 Å²	35.6	47%	0.471	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-58.1	-14.6	176.2	-57.8	-179.2	0	0	0	114.7	D436 L437 V456	D436-L439 HydrophobicContact CB-CD1 3.8Å; D436-L439 HydrophobicContact CB-CG 3.86Å; L437-L439 VanDerWaalsContact C-N 3.25Å; L437-L439 PolarHBondContact O-N 3.31Å; L439-V456 HydrophobicContact CB-CG1 3.75Å; L439-V456 HydrophobicContact CD1-CG1 4.37Å
440	V	97.9	Very high	97.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-128.6	22.1	-177.8	-59.5	0	0	0	0	114	L437 T438 M448 R453 V456 L457	L437-V440 WeakPolarHBondContact O-CG2 3.43Å; L437-V440 PolarHBondContact O-N 2.89Å; T438-V440 PolarHBondContact O-N 3.18Å; V440-M448 HydrophobicContact CB-CE 4.43Å; V440-M448 HydrophobicContact CB-SD 4.24Å; V440-M448 HydrophobicContact CG1-CE 4.45Å; V440-M448 HydrophobicContact CG1-SD 4.03Å; V440-R453 HydrophobicContact CB-CG 3.9Å; V440-R453 HydrophobicContact CG1-CG 4.06Å; V440-R453 HydrophobicContact CG2-CG 4.28Å; V440-V456 HydrophobicContact CG1-CB 3.71Å; V440-V456 HydrophobicContact CG1-CG1 3.51Å; V440-L457 HydrophobicContact CG1-CD2 4.39Å; V440-L457 HydrophobicContact CG1-CG 4.19Å; V440-L457 HydrophobicContact CG2-CD2 3.75Å; V440-L457 HydrophobicContact CG2-CG 4.19Å
441	G	97.1	Very high	97.5	Very high	20 Å²	20	50.4 Å²	50.4	21%	0.206	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	30.8	-178.8	0	0	0	0	0	113.5	T438 Y443 N444	T438-G441 PolarHBondContact O-N 3.11Å; G441-Y443 PolarHBondContact O-N 2.95Å; G441-N444 PolarHBondContact O-N 2.76Å; G441-N444 VanDerWaalsContact O-N 3.08Å
442	C	97.4	Very high	97.5	Very high	5 Å²	5	55.4 Å²	55.4	3%	0.034	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	-115.8	-178.7	-60.5	0	0	0	0	112.6	C391 D392 L437 R453	C391-C442 VanDerWaalsContact C-SG 3.56Å; C391-C442 HydrophobicContact CB-CB 3.57Å; C391-C442 WeakPolarHBondContact CB-SG 3.39Å; C391-C442 VanDerWaalsContact SG-CA 3.53Å; C391-C442 WeakPolarHBondContact SG-CB 3.36Å; C391-C442 CovalentContact SG-SG 2.02Å; C391-C442 PolarHBondContact SG-SG 2.87Å; D392-C442 VanDerWaalsContact CG-SG 3.59Å; D392-C442 PolarHBondContact OD2-SG 2.85Å; D392-C442 VanDerWaalsContact OD2-SG 3.36Å; L437-C442 VanDerWaalsContact O-CA 3.28Å; L437-C442 WeakPolarHBondContact O-CA 3.39Å; L437-C442 PolarHBondContact O-N 3.44Å; C442-R453 PolarHBondContact O-NH2 3.36Å
443	Y	97	Very high	97.5	Very high	13 Å²	13	55.5 Å²	55.5	5%	0.051	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	-5.8	-179.8	-62.7	-83.3	0	0	0	113	H389 C391 P396 L401 L437 G441 L445	H389-Y443 HydrophobicContact CB-CE2 3.83Å; H389-Y443 PolarHBondContact ND1-OH 3.22Å; H389-Y443 WeakPolarHBondContact O-CE2 3.34Å; C391-Y443 HydrophobicContact CB-CE2 4.37Å; P396-Y443 HydrophobicContact CB-CD2 3.89Å; P396-Y443 HydrophobicContact CB-CG 4.06Å; P396-Y443 HydrophobicContact CG-CD2 4.08Å; P396-Y443 HydrophobicContact CG-CE2 4.41Å; P396-Y443 HydrophobicContact CG-CG 4.43Å; L401-Y443 HydrophobicContact CD1-CD1 3.93Å; L401-Y443 HydrophobicContact CD1-CE1 3.93Å; L401-Y443 HydrophobicContact CD1-CG 4.49Å; L437-Y443 HydrophobicContact CD1-CE1 4.36Å; L437-Y443 HydrophobicContact CD1-CE2 4.22Å; L437-Y443 WeakPolarHBondContact CD1-OH 3.36Å; G441-Y443 PolarHBondContact O-N 2.95Å; Y443-L445 PolarHBondContact O-N 3Å
444	N	96.2	Very high	97.5	Very high	60 Å²	60	56.2 Å²	56.2	32%	0.321	30%	0.303	S	S	.	.			trans	-73.9	98.8	174.5	-175.8	-12.8	0	0	0	109.9	G441 S446 V447	G441-N444 PolarHBondContact O-N 2.76Å; G441-N444 VanDerWaalsContact O-N 3.08Å; N444-S446 PolarHBondContact O-N 3.21Å; N444-S446 WeakPolarHBondContact OD1-CB 3.37Å; N444-S446 PolarHBondContact OD1-N 3.33Å; N444-S446 VanDerWaalsContact OD1-N 3.08Å; N444-V447 HydrophobicContact CB-CG2 3.87Å; N444-V447 PolarHBondContact O-N 3.15Å
445	L	94.8	Very high	97.4	Very high	113 Å²	113	63.4 Å²	63.4	59%	0.592	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-67	-18.7	-177.1	-56.2	-177.6	0	0	0	113.3	Y443 V447	Y443-L445 PolarHBondContact O-N 3Å; L445-V447 VanDerWaalsContact C-N 3.3Å; L445-V447 PolarHBondContact O-N 3.44Å
446	S	95.4	Very high	97.4	Very high	113 Å²	113	65.5 Å²	65.5	79%	0.79	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-79.7	-7.3	-177.5	-55.2	0	0	0	0	114.2	N444 M448	N444-S446 PolarHBondContact O-N 3.21Å; N444-S446 WeakPolarHBondContact OD1-CB 3.37Å; N444-S446 PolarHBondContact OD1-N 3.33Å; N444-S446 VanDerWaalsContact OD1-N 3.08Å; S446-M448 VanDerWaalsContact C-N 3.34Å; S446-M448 PolarHBondContact O-N 3.32Å
447	V	96	Very high	97.4	Very high	79 Å²	79	64.4 Å²	64.4	48%	0.479	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-69.3	-28.3	-175.6	174	0	0	0	0	113	N444 L445	N444-V447 HydrophobicContact CB-CG2 3.87Å; N444-V447 PolarHBondContact O-N 3.15Å; L445-V447 VanDerWaalsContact C-N 3.3Å; L445-V447 PolarHBondContact O-N 3.44Å
448	M	97	Very high	97.5	Very high	36 Å²	36	64.8 Å²	64.8	18%	0.177	34%	0.343	C	S	.	.	S	Bend	trans	-158.3	155.7	177.1	62	177.5	64.6	0	0	112	V440 S446 Q452 R453	V440-M448 HydrophobicContact CB-CE 4.43Å; V440-M448 HydrophobicContact CB-SD 4.24Å; V440-M448 HydrophobicContact CG1-CE 4.45Å; V440-M448 HydrophobicContact CG1-SD 4.03Å; S446-M448 VanDerWaalsContact C-N 3.34Å; S446-M448 PolarHBondContact O-N 3.32Å; M448-Q452 HydrophobicContact SD-CG 4.12Å; M448-R453 HydrophobicContact CG-CB 3.93Å; M448-R453 HydrophobicContact SD-CB 4.06Å
449	P	98	Very high	97.5	Very high	90 Å²	90	66.5 Å²	66.5	58%	0.584	35%	0.347	S	S	*	.			trans	-56.2	140.6	178.7	-25.7	35	0	0	0	113	K451 Q452 R453	P449-K451 VanDerWaalsContact C-N 3.29Å; P449-K451 PolarHBondContact O-N 2.88Å; P449-K451 VanDerWaalsContact O-N 3.17Å; P449-Q452 WeakPolarHBondContact O-CA 3.4Å; P449-Q452 WeakPolarHBondContact O-CB 3.23Å; P449-Q452 PolarHBondContact O-N 2.96Å; P449-R453 PolarHBondContact O-N 3.11Å
450	E	96.7	Very high	97.5	Very high	133 Å²	133	62.9 Å²	62.9	62%	0.621	33%	0.329	S	S	*	.	H	α-helix	trans	-54.5	-42.7	-172.9	-158.3	-145.7	134.4	0	0	112.8	Q452 R453 N454	E450-Q452 VanDerWaalsContact C-N 3.26Å; E450-Q452 PolarHBondContact O-N 3.16Å; E450-R453 WeakPolarHBondContact O-CB 3.41Å; E450-R453 PolarHBondContact O-N 2.82Å; E450-N454 VanDerWaalsContact O-CB 3.25Å; E450-N454 WeakPolarHBondContact O-CB 3.32Å; E450-N454 PolarHBondContact O-N 3.2Å; E450-N454 PolarHBondContact O-ND2 2.96Å; E450-N454 PolarHBondContact OE1-ND2 3.01Å
451	K	97.1	Very high	97.6	Very high	187 Å²	187	62.9 Å²	62.9	81%	0.813	33%	0.329	S	S	*	.	H	α-helix	trans	-58.1	-34.3	176.3	-173.6	175	-179.4	177.8	0	113.3	P449 K455	P449-K451 VanDerWaalsContact C-N 3.29Å; P449-K451 PolarHBondContact O-N 2.88Å; P449-K451 VanDerWaalsContact O-N 3.17Å; K451-K455 PolarHBondContact O-N 2.84Å
452	Q	98.2	Very high	97.7	Very high	107 Å²	107	62.6 Å²	62.6	50%	0.5	32%	0.322	S	S	.	.	H	α-helix	trans	-76.6	-47.7	175	-178.6	175.1	-10.2	0	0	110.7	M448 P449 E450 N454 K455 V456	M448-Q452 HydrophobicContact SD-CG 4.12Å; P449-Q452 WeakPolarHBondContact O-CA 3.4Å; P449-Q452 WeakPolarHBondContact O-CB 3.23Å; P449-Q452 PolarHBondContact O-N 2.96Å; E450-Q452 VanDerWaalsContact C-N 3.26Å; E450-Q452 PolarHBondContact O-N 3.16Å; Q452-N454 VanDerWaalsContact C-N 3.3Å; Q452-N454 PolarHBondContact O-N 2.95Å; Q452-K455 PolarHBondContact O-N 2.92Å; Q452-K455 VanDerWaalsContact O-N 3.15Å; Q452-V456 WeakPolarHBondContact O-CG2 3.27Å; Q452-V456 PolarHBondContact O-N 3.23Å
453	R	98.3	Very high	97.7	Very high	28 Å²	28	64.7 Å²	64.7	11%	0.106	34%	0.337	C	S	.	.	H	α-helix	trans	-52.7	-47.5	176	-176.5	157	-169.1	-78.5	0.4	112.1	V440 C442 M448 P449 E450 K455 V456 L457	V440-R453 HydrophobicContact CB-CG 3.9Å; V440-R453 HydrophobicContact CG1-CG 4.06Å; V440-R453 HydrophobicContact CG2-CG 4.28Å; C442-R453 PolarHBondContact O-NH2 3.36Å; M448-R453 HydrophobicContact CG-CB 3.93Å; M448-R453 HydrophobicContact SD-CB 4.06Å; P449-R453 PolarHBondContact O-N 3.11Å; E450-R453 WeakPolarHBondContact O-CB 3.41Å; E450-R453 PolarHBondContact O-N 2.82Å; R453-K455 PolarHBondContact O-N 2.94Å; R453-V456 PolarHBondContact O-N 3.07Å; R453-L457 HydrophobicContact CG-CD1 4.03Å; R453-L457 HydrophobicContact CG-CG 4.45Å; R453-L457 WeakPolarHBondContact O-CB 3.35Å; R453-L457 WeakPolarHBondContact O-CG 3.42Å; R453-L457 PolarHBondContact O-N 2.78Å
454	N	98.5	Very high	97.8	Very high	19 Å²	19	65.3 Å²	65.3	10%	0.102	34%	0.341	C	S	.	.	H	α-helix	trans	-62.1	-40.4	179.9	-71.3	-17.3	0	0	0	112.6	E450 Q452 L458 L523	E450-N454 VanDerWaalsContact O-CB 3.25Å; E450-N454 WeakPolarHBondContact O-CB 3.32Å; E450-N454 PolarHBondContact O-N 3.2Å; E450-N454 PolarHBondContact O-ND2 2.96Å; E450-N454 PolarHBondContact OE1-ND2 3.01Å; Q452-N454 VanDerWaalsContact C-N 3.3Å; Q452-N454 PolarHBondContact O-N 2.95Å; N454-L458 VanDerWaalsContact O-CB 3.31Å; N454-L458 WeakPolarHBondContact O-CB 3.07Å; N454-L458 PolarHBondContact O-N 2.87Å; N454-L458 VanDerWaalsContact O-N 3.08Å; N454-L523 HydrophobicContact CB-CD1 4.02Å; N454-L523 HydrophobicContact CB-CD2 4.05Å
455	K	98.6	Very high	97.9	Very high	151 Å²	151	62.4 Å²	62.4	66%	0.657	33%	0.326	S	S	*	.	H	α-helix	trans	-65.6	-46.3	174.3	-174.3	-178.6	178.8	-176.5	0	111.7	K451 Q452 R453 L458 E459	K451-K455 PolarHBondContact O-N 2.84Å; Q452-K455 PolarHBondContact O-N 2.92Å; Q452-K455 VanDerWaalsContact O-N 3.15Å; R453-K455 PolarHBondContact O-N 2.94Å; K455-L458 PolarHBondContact O-N 3.16Å; K455-E459 PolarHBondContact O-N 3.47Å
456	V	98.7	Very high	98.1	Very high	45 Å²	45	59.1 Å²	59.1	27%	0.273	31%	0.307	S	S	.	.	H	α-helix	trans	-63.4	-46.5	-179.5	175.5	0	0	0	0	111.2	L439 V440 Q452 R453 L458 S460	L439-V456 HydrophobicContact CB-CG1 3.75Å; L439-V456 HydrophobicContact CD1-CG1 4.37Å; V440-V456 HydrophobicContact CG1-CB 3.71Å; V440-V456 HydrophobicContact CG1-CG1 3.51Å; Q452-V456 WeakPolarHBondContact O-CG2 3.27Å; Q452-V456 PolarHBondContact O-N 3.23Å; R453-V456 PolarHBondContact O-N 3.07Å; V456-L458 PolarHBondContact O-N 3.17Å; V456-S460 WeakPolarHBondContact O-CB 3.48Å; V456-S460 PolarHBondContact O-N 2.82Å
457	L	98.8	Very high	98.2	Very high	8 Å²	8	59.2 Å²	59.2	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-57	-49.9	174.9	-74.3	173.3	0	0	0	111.7	V431 S435 L437 V440 R453 S460 A461	V431-L457 HydrophobicContact CG1-CB 3.85Å; S435-L457 WeakPolarHBondContact OG-CD2 3.35Å; S435-L457 PolarHBondContact OG-O 2.75Å; L437-L457 HydrophobicContact CD2-CD2 3.61Å; V440-L457 HydrophobicContact CG1-CD2 4.39Å; V440-L457 HydrophobicContact CG1-CG 4.19Å; V440-L457 HydrophobicContact CG2-CD2 3.75Å; V440-L457 HydrophobicContact CG2-CG 4.19Å; R453-L457 HydrophobicContact CG-CD1 4.03Å; R453-L457 HydrophobicContact CG-CG 4.45Å; R453-L457 WeakPolarHBondContact O-CB 3.35Å; R453-L457 WeakPolarHBondContact O-CG 3.42Å; R453-L457 PolarHBondContact O-N 2.78Å; L457-S460 PolarHBondContact O-N 2.78Å; L457-A461 WeakPolarHBondContact O-CB 3.41Å; L457-A461 PolarHBondContact O-N 3.44Å
458	L	98.9	Very high	98.3	Very high	9 Å²	9	55.8 Å²	55.8	5%	0.047	27%	0.273	C	S	.	.	H	α-helix	trans	-65	-44.7	-175.6	-179.4	57.3	0	0	0	112.8	V431 N454 K455 V456 A461 K462 L523 E526 L527	V431-L458 HydrophobicContact CG2-CD1 3.93Å; N454-L458 VanDerWaalsContact O-CB 3.31Å; N454-L458 WeakPolarHBondContact O-CB 3.07Å; N454-L458 PolarHBondContact O-N 2.87Å; N454-L458 VanDerWaalsContact O-N 3.08Å; K455-L458 PolarHBondContact O-N 3.16Å; V456-L458 PolarHBondContact O-N 3.17Å; L458-A461 PolarHBondContact O-N 3.3Å; L458-K462 HydrophobicContact CD1-CD 4.49Å; L458-K462 HydrophobicContact CD1-CG 4.36Å; L458-K462 HydrophobicContact CG-CD 4.34Å; L458-K462 WeakPolarHBondContact O-CB 3.36Å; L458-K462 VanDerWaalsContact O-CG 3.3Å; L458-K462 WeakPolarHBondContact O-CG 3.39Å; L458-K462 PolarHBondContact O-N 2.91Å; L458-L523 HydrophobicContact CB-CD2 4.35Å; L458-L523 HydrophobicContact CD2-CD2 4.16Å; L458-E526 HydrophobicContact CD2-CB 4.08Å; L458-E526 HydrophobicContact CD2-CG 4.27Å; L458-L527 HydrophobicContact CD1-CB 3.9Å
459	E	98.8	Very high	98.4	Very high	91 Å²	91	54.6 Å²	54.6	43%	0.425	27%	0.269	S	S	.	.	H	α-helix	trans	-68.8	-35.1	176.8	-64.8	-49.8	124.9	0	0	112.3	K455 K462 S463	K455-E459 PolarHBondContact O-N 3.47Å; E459-K462 WeakPolarHBondContact OE1-CD 3.4Å; E459-K462 IonicContact OE1-NZ 2.74Å; E459-K462 PolarHBondContact OE1-NZ 3.49Å; E459-S463 VanDerWaalsContact O-CB 3.27Å; E459-S463 WeakPolarHBondContact O-CB 3.13Å; E459-S463 PolarHBondContact O-N 2.91Å
460	S	98.9	Very high	98.4	Very high	13 Å²	13	50.6 Å²	50.6	9%	0.091	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-49.9	171.2	-172.7	0	0	0	0	111.2	D436 V456 L457 K462 S463 N464	D436-S460 PolarHBondContact N-OG 3.47Å; V456-S460 WeakPolarHBondContact O-CB 3.48Å; V456-S460 PolarHBondContact O-N 2.82Å; L457-S460 PolarHBondContact O-N 2.78Å; S460-K462 PolarHBondContact O-N 2.9Å; S460-S463 PolarHBondContact O-N 3.4Å; S460-N464 VanDerWaalsContact O-CB 3.32Å; S460-N464 WeakPolarHBondContact O-CB 3.32Å; S460-N464 VanDerWaalsContact O-CG 3.27Å; S460-N464 PolarHBondContact O-N 3.33Å; S460-N464 PolarHBondContact O-ND2 2.93Å
461	A	98.9	Very high	98.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-62.3	-43.5	177.9	0	0	0	0	0	113	V431 L434 L457 L458 L465 L527	V431-A461 HydrophobicContact CB-CB 4.37Å; V431-A461 HydrophobicContact CG1-CB 4.13Å; V431-A461 HydrophobicContact CG2-CB 4.34Å; L434-A461 HydrophobicContact CB-CB 3.9Å; L457-A461 WeakPolarHBondContact O-CB 3.41Å; L457-A461 PolarHBondContact O-N 3.44Å; L458-A461 PolarHBondContact O-N 3.3Å; A461-L465 WeakPolarHBondContact O-CB 3.39Å; A461-L465 PolarHBondContact O-N 2.94Å; A461-L527 HydrophobicContact CB-CD1 4.09Å; A461-L527 HydrophobicContact CB-CD2 4.26Å
462	K	98.9	Very high	98.6	Very high	14 Å²	14	35.5 Å²	35.5	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-58.6	-49.7	173.5	-74.8	171.4	-177	168.2	0	111	L458 E459 S460 K466 E526 L527 Y530	L458-K462 HydrophobicContact CD1-CD 4.49Å; L458-K462 HydrophobicContact CD1-CG 4.36Å; L458-K462 HydrophobicContact CG-CD 4.34Å; L458-K462 WeakPolarHBondContact O-CB 3.36Å; L458-K462 VanDerWaalsContact O-CG 3.3Å; L458-K462 WeakPolarHBondContact O-CG 3.39Å; L458-K462 PolarHBondContact O-N 2.91Å; E459-K462 WeakPolarHBondContact OE1-CD 3.4Å; E459-K462 IonicContact OE1-NZ 2.74Å; E459-K462 PolarHBondContact OE1-NZ 3.49Å; S460-K462 PolarHBondContact O-N 2.9Å; K462-K466 VanDerWaalsContact O-CB 3.31Å; K462-K466 WeakPolarHBondContact O-CB 3.35Å; K462-K466 PolarHBondContact O-N 3.34Å; K462-E526 WeakPolarHBondContact CE-OE1 3.38Å; K462-E526 IonicContact NZ-OE1 3.53Å; K462-E526 PolarHBondContact NZ-OE1 3.38Å; K462-L527 HydrophobicContact CG-CD1 4.07Å; K462-Y530 HydrophobicContact CB-CD1 4.18Å; K462-Y530 HydrophobicContact CB-CE1 3.8Å; K462-Y530 HydrophobicContact CD-CD2 4.34Å; K462-Y530 HydrophobicContact CD-CE2 4.47Å; K462-Y530 HydrophobicContact CD-CG 4.39Å; K462-Y530 HydrophobicContact CG-CD1 3.82Å; K462-Y530 HydrophobicContact CG-CD2 4.41Å; K462-Y530 HydrophobicContact CG-CE1 3.96Å; K462-Y530 HydrophobicContact CG-CG 4.05Å
463	S	98.7	Very high	98.6	Very high	50 Å²	50	30.4 Å²	30.4	35%	0.35	15%	0.151	S	C	.	.	H	α-helix	trans	-61.7	-51.3	180	-175.2	0	0	0	0	111.8	E459 S460 L465 K466 H467	E459-S463 VanDerWaalsContact O-CB 3.27Å; E459-S463 WeakPolarHBondContact O-CB 3.13Å; E459-S463 PolarHBondContact O-N 2.91Å; S460-S463 PolarHBondContact O-N 3.4Å; S463-L465 VanDerWaalsContact C-N 3.35Å; S463-L465 PolarHBondContact O-N 2.92Å; S463-K466 WeakPolarHBondContact O-CB 3.47Å; S463-K466 PolarHBondContact O-N 3.44Å; S463-K466 VanDerWaalsContact O-N 3.15Å; S463-H467 PolarHBondContact O-N 2.88Å; S463-H467 PolarHBondContact O-ND1 2.99Å; S463-H467 PolarHBondContact OG-CE1 2.9Å; S463-H467 PolarHBondContact OG-ND1 3.42Å
464	N	98.8	Very high	98.6	Very high	25 Å²	25	30 Å²	30	13%	0.134	15%	0.152	C	C	.	.	H	α-helix	trans	-60	-44.7	-179.4	-73.3	-17.6	0	0	0	111.4	W293 L434 S460 K466 H467 M468	W293-N464 VanDerWaalsContact CE2-CG 3.47Å; W293-N464 PolarHBondContact NE1-ND2 2.97Å; L434-N464 VanDerWaalsContact O-CB 3.3Å; L434-N464 WeakPolarHBondContact O-CB 3.25Å; L434-N464 PolarHBondContact O-ND2 2.6Å; S460-N464 VanDerWaalsContact O-CB 3.32Å; S460-N464 WeakPolarHBondContact O-CB 3.32Å; S460-N464 VanDerWaalsContact O-CG 3.27Å; S460-N464 PolarHBondContact O-N 3.33Å; S460-N464 PolarHBondContact O-ND2 2.93Å; N464-K466 PolarHBondContact O-N 3.25Å; N464-H467 PolarHBondContact O-N 3.45Å; N464-M468 WeakPolarHBondContact O-CG 3.33Å; N464-M468 PolarHBondContact O-N 3.03Å
465	L	98.8	Very high	98.4	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64	-37.7	175.7	-174.4	70.7	0	0	0	113.1	T362 L364 L434 A461 S463 M468 F471 L527 A531	T362-L465 HydrophobicContact CG2-CD1 3.67Å; L364-L465 HydrophobicContact CD1-CD1 3.92Å; L364-L465 HydrophobicContact CD1-CD2 3.58Å; L364-L465 HydrophobicContact CD1-CG 4.41Å; L364-L465 HydrophobicContact CG-CD1 4.49Å; L434-L465 HydrophobicContact CD1-CD1 4.17Å; A461-L465 WeakPolarHBondContact O-CB 3.39Å; A461-L465 PolarHBondContact O-N 2.94Å; S463-L465 VanDerWaalsContact C-N 3.35Å; S463-L465 PolarHBondContact O-N 2.92Å; L465-M468 HydrophobicContact CD1-SD 4.4Å; L465-F471 HydrophobicContact CD1-CB 3.82Å; L465-F471 HydrophobicContact CD1-CD1 3.62Å; L465-F471 HydrophobicContact CD1-CD2 4.14Å; L465-F471 HydrophobicContact CD1-CE1 4.18Å; L465-F471 HydrophobicContact CD1-CG 3.61Å; L465-F471 HydrophobicContact CD2-CE1 4.25Å; L465-F471 HydrophobicContact CD2-CE2 4.43Å; L465-F471 HydrophobicContact CD2-CZ 4.22Å; L465-F471 HydrophobicContact CG-CD1 3.76Å; L465-F471 HydrophobicContact CG-CE1 3.82Å; L465-F471 HydrophobicContact CG-CG 4.18Å; L465-F471 HydrophobicContact CG-CZ 4.29Å; L465-L527 HydrophobicContact CD2-CD1 4.14Å; L465-A531 HydrophobicContact CD2-CB 3.56Å
466	K	98.3	Very high	98.3	Very high	43 Å²	43	26.5 Å²	26.5	19%	0.187	14%	0.137	C	C	.	.	H	α-helix	trans	-65.3	-38.9	176.9	-167.1	-173.4	75.8	135.6	0	111.8	D214 R217 K462 S463 N464 L534 R538	D214-K466 HydrophobicContact CB-CD 4.43Å; D214-K466 HydrophobicContact CB-CG 4.48Å; D214-K466 WeakPolarHBondContact OD1-CD 3.27Å; D214-K466 WeakPolarHBondContact OD1-CE 3.27Å; D214-K466 IonicContact OD1-NZ 3.9Å; D214-K466 PolarHBondContact OD1-NZ 2.72Å; D214-K466 IonicContact OD2-NZ 2.77Å; R217-K466 PolarHBondContact NE-O 3.11Å; R217-K466 PolarHBondContact NH2-O 2.81Å; K462-K466 VanDerWaalsContact O-CB 3.31Å; K462-K466 WeakPolarHBondContact O-CB 3.35Å; K462-K466 PolarHBondContact O-N 3.34Å; S463-K466 WeakPolarHBondContact O-CB 3.47Å; S463-K466 PolarHBondContact O-N 3.44Å; S463-K466 VanDerWaalsContact O-N 3.15Å; N464-K466 PolarHBondContact O-N 3.25Å; K466-L534 HydrophobicContact CB-CD2 4.29Å; K466-L534 HydrophobicContact CG-CD2 4.09Å; K466-R538 PolarHBondContact O-NH2 2.77Å
467	H	97.8	Very high	98.1	Very high	115 Å²	115	25.2 Å²	25.2	53%	0.532	13%	0.128	S	C	.	.	H	α-helix	trans	-87.3	-13.5	-177.9	-61.4	114.4	0	0	0	114.5	S463 N464	S463-H467 PolarHBondContact O-N 2.88Å; S463-H467 PolarHBondContact O-ND1 2.99Å; S463-H467 PolarHBondContact OG-CE1 2.9Å; S463-H467 PolarHBondContact OG-ND1 3.42Å; N464-H467 PolarHBondContact O-N 3.45Å
468	M	98.4	Very high	98	Very high	7 Å²	7	26.7 Å²	26.7	3%	0.034	13%	0.133	C	C	.	.	S	Bend	trans	-52.4	147.3	165.6	-79.8	-173.9	-172	0	0	111.6	R217 L232 Y360 T362 L434 N464 L465 F470	R217-M468 PolarHBondContact NE-O 2.87Å; L232-M468 HydrophobicContact CD1-CE 4Å; Y360-M468 WeakPolarHBondContact O-CB 3.31Å; T362-M468 HydrophobicContact CG2-CE 4.45Å; T362-M468 HydrophobicContact CG2-SD 3.7Å; L434-M468 HydrophobicContact CD2-CE 3.48Å; L434-M468 VanDerWaalsContact CD2-CE 3.48Å; L434-M468 HydrophobicContact CD2-SD 4.44Å; N464-M468 WeakPolarHBondContact O-CG 3.33Å; N464-M468 PolarHBondContact O-N 3.03Å; L465-M468 HydrophobicContact CD1-SD 4.4Å; M468-F470 VanDerWaalsContact C-N 3.31Å; M468-F470 PolarHBondContact O-N 3.27Å
469	A	98.3	Very high	97.9	Very high	12 Å²	12	26.4 Å²	26.4	10%	0.099	13%	0.131	C	C	.	.	S	Bend	trans	-60.6	-43.7	179	0	0	0	0	0	110.9	R217 V219 H359 Y360 I361 T487 F488	R217-A469 WeakPolarHBondContact CB-O 3.41Å; R217-A469 WeakPolarHBondContact CD-O 3.3Å; R217-A469 WeakPolarHBondContact CG-O 3.4Å; V219-A469 HydrophobicContact CG2-CB 4.06Å; H359-A469 HydrophobicContact CB-CB 3.94Å; Y360-A469 PolarHBondContact O-N 2.85Å; I361-A469 HydrophobicContact CG2-CB 4.42Å; A469-T487 WeakPolarHBondContact O-CG2 3.15Å; A469-F488 HydrophobicContact CB-CE1 4.29Å; A469-F488 HydrophobicContact CB-CZ 3.87Å
470	F	98.7	Very high	97.9	Very high	5 Å²	5	22.1 Å²	22.1	2%	0.022	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	147.9	179.7	165	-93.8	0	0	0	110.6	F242 I361 T362 I363 M468 T480 L483 F484 T487 F488	F242-F470 HydrophobicContact CE2-CE1 4.19Å; F242-F470 HydrophobicContact CZ-CD1 4.43Å; F242-F470 AromaticContact CZ-CE1 3.76Å; F242-F470 HydrophobicContact CZ-CE1 3.76Å; I361-F470 WeakPolarHBondContact CA-O 3.28Å; I361-F470 HydrophobicContact CB-CD1 4.21Å; I361-F470 WeakPolarHBondContact CB-O 3.38Å; I361-F470 HydrophobicContact CG2-CB 3.83Å; I361-F470 HydrophobicContact CG2-CD1 4.22Å; T362-F470 PolarHBondContact N-O 2.72Å; I363-F470 HydrophobicContact CD1-CE1 4.36Å; M468-F470 VanDerWaalsContact C-N 3.31Å; M468-F470 PolarHBondContact O-N 3.27Å; F470-T480 HydrophobicContact CZ-CG2 4.02Å; F470-T480 WeakPolarHBondContact CZ-O 3.17Å; F470-L483 HydrophobicContact CD2-CB 4.19Å; F470-L483 HydrophobicContact CE2-CB 3.68Å; F470-F484 HydrophobicContact CD1-CB 4.49Å; F470-F484 AromaticContact CD1-CD2 3.82Å; F470-F484 HydrophobicContact CD1-CD2 3.82Å; F470-F484 HydrophobicContact CD2-CB 4.25Å; F470-F484 HydrophobicContact CE1-CB 4.14Å; F470-F484 AromaticContact CE1-CD2 3.95Å; F470-F484 HydrophobicContact CE1-CD2 3.95Å; F470-F484 HydrophobicContact CE2-CB 3.88Å; F470-F484 VanDerWaalsContact CE2-N 3.27Å; F470-F484 HydrophobicContact CG-CD2 4.26Å; F470-F484 HydrophobicContact CZ-CB 3.81Å; F470-F484 HydrophobicContact CZ-CD2 4.48Å; F470-T487 HydrophobicContact CB-CG2 4.2Å; F470-F488 HydrophobicContact CB-CE2 3.79Å; F470-F488 HydrophobicContact CB-CZ 4.34Å; F470-F488 HydrophobicContact CG-CE2 4.43Å
471	F	98.9	Very high	97.8	Very high	4 Å²	4	22 Å²	22	2%	0.018	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	151.3	159.9	70.4	-94.8	0	0	0	110.8	T362 L465 L473 A531 L534 F535 R538	T362-F471 HydrophobicContact CG2-CB 3.8Å; T362-F471 VanDerWaalsContact O-CA 3.26Å; T362-F471 WeakPolarHBondContact O-CA 3.3Å; L465-F471 HydrophobicContact CD1-CB 3.82Å; L465-F471 HydrophobicContact CD1-CD1 3.62Å; L465-F471 HydrophobicContact CD1-CD2 4.14Å; L465-F471 HydrophobicContact CD1-CE1 4.18Å; L465-F471 HydrophobicContact CD1-CG 3.61Å; L465-F471 HydrophobicContact CD2-CE1 4.25Å; L465-F471 HydrophobicContact CD2-CE2 4.43Å; L465-F471 HydrophobicContact CD2-CZ 4.22Å; L465-F471 HydrophobicContact CG-CD1 3.76Å; L465-F471 HydrophobicContact CG-CE1 3.82Å; L465-F471 HydrophobicContact CG-CG 4.18Å; L465-F471 HydrophobicContact CG-CZ 4.29Å; F471-L473 HydrophobicContact CD2-CD2 4.35Å; F471-L473 HydrophobicContact CE2-CD2 4.22Å; F471-A531 HydrophobicContact CE2-CB 4Å; F471-A531 WeakPolarHBondContact CE2-O 3.44Å; F471-A531 HydrophobicContact CZ-CB 4.24Å; F471-A531 WeakPolarHBondContact CZ-O 3.39Å; F471-L534 HydrophobicContact CE1-CD2 3.83Å; F471-L534 HydrophobicContact CE1-CG 4.2Å; F471-L534 HydrophobicContact CZ-CB 4.28Å; F471-L534 HydrophobicContact CZ-CD2 4.09Å; F471-L534 HydrophobicContact CZ-CG 4.14Å; F471-F535 HydrophobicContact CD2-CD2 4.43Å; F471-F535 HydrophobicContact CE2-CB 3.84Å; F471-F535 HydrophobicContact CE2-CD2 4.24Å; F471-F535 HydrophobicContact CE2-CG 4.47Å; F471-F535 HydrophobicContact CZ-CB 4.14Å; F471-F535 WeakPolarHBondContact O-CD2 3.38Å; F471-R538 VanDerWaalsContact CE1-NH1 3.31Å
472	G	98.6	Very high	97.8	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	167.7	177.7	0	0	0	0	0	113.2	T362 I363 L364	T362-G472 PolarHBondContact O-N 3.2Å; I363-G472 CarbonylContact C-O 3.49Å; I363-G472 WeakPolarHBondContact CA-O 3.42Å; L364-G472 PolarHBondContact N-O 3.5Å
473	L	98.6	Very high	97.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	134.9	177.3	-59.3	-177.9	0	0	0	109.8	L364 F471 E475 F476 T480 Y528 K532 F535	L364-L473 HydrophobicContact CB-CD2 3.86Å; F471-L473 HydrophobicContact CD2-CD2 4.35Å; F471-L473 HydrophobicContact CE2-CD2 4.22Å; L473-E475 PolarHBondContact O-N 3.2Å; L473-E475 VanDerWaalsContact O-N 3.17Å; L473-F476 HydrophobicContact CB-CD2 3.9Å; L473-F476 HydrophobicContact CD1-CD2 3.82Å; L473-F476 HydrophobicContact CD1-CE2 4.14Å; L473-F476 HydrophobicContact CG-CD2 4.5Å; L473-F476 PolarHBondContact O-N 3.37Å; L473-F476 VanDerWaalsContact O-N 3.16Å; L473-T480 PolarHBondContact N-OG1 3.34Å; L473-T480 VanDerWaalsContact N-OG1 3.1Å; L473-T480 PolarHBondContact O-OG1 3Å; L473-Y528 HydrophobicContact CD2-CE2 4.09Å; L473-K532 HydrophobicContact CD1-CB 4.3Å; L473-K532 HydrophobicContact CD1-CG 4.41Å; L473-F535 HydrophobicContact CB-CE1 4.49Å; L473-F535 HydrophobicContact CD1-CB 3.76Å; L473-F535 HydrophobicContact CD1-CD1 3.49Å; L473-F535 VanDerWaalsContact CD1-CD1 3.49Å; L473-F535 HydrophobicContact CD1-CD2 4.35Å; L473-F535 HydrophobicContact CD1-CE1 4.12Å; L473-F535 HydrophobicContact CD1-CG 3.61Å; L473-F535 HydrophobicContact CG-CB 4.24Å; L473-F535 HydrophobicContact CG-CD1 3.98Å; L473-F535 HydrophobicContact CG-CD2 4.07Å; L473-F535 HydrophobicContact CG-CE1 4.32Å; L473-F535 HydrophobicContact CG-CE2 4.4Å; L473-F535 HydrophobicContact CG-CG 3.84Å
474	T	97.3	Very high	97.7	Very high	20 Å²	20	19.4 Å²	19.4	12%	0.123	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.3	-174.4	-56.7	0	0	0	0	112.7	T237 L364 R365 Q477 Q498	T237-T474 VanDerWaalsContact C-OG1 3.25Å; T237-T474 PolarHBondContact O-OG1 2.78Å; L364-T474 PolarHBondContact O-N 2.97Å; L364-T474 PolarHBondContact O-OG1 3.16Å; R365-T474 HydrophobicContact CG-CG2 4.41Å; T474-Q477 PolarHBondContact O-NE2 2.89Å; T474-Q498 PolarHBondContact O-NE2 3.07Å
475	E	94.6	Very high	97.7	Very high	52 Å²	52	19.2 Å²	19.2	24%	0.243	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-8.7	-174.1	-55.2	92.5	122.1	0	0	113.2	D366 L473 Q498 Y528	D366-E475 VanDerWaalsContact CB-OE1 3.23Å; D366-E475 WeakPolarHBondContact CB-OE1 3.5Å; D366-E475 PolarHBondContact N-OE1 2.99Å; L473-E475 PolarHBondContact O-N 3.2Å; L473-E475 VanDerWaalsContact O-N 3.17Å; E475-Q498 PolarHBondContact O-OE1 3.33Å; E475-Y528 VanDerWaalsContact CD-OH 3.27Å; E475-Y528 VanDerWaalsContact OE1-CZ 3.27Å; E475-Y528 PolarHBondContact OE1-OH 2.92Å
476	F	95.9	Very high	97.6	Very high	43 Å²	43	22.8 Å²	22.8	19%	0.189	11%	0.106	C	C	.	.			trans	-131.7	58.8	-176.9	-59.1	-70.2	0	0	0	110.7	L473 R478 K479 T480 K532 F535 L536	L473-F476 HydrophobicContact CB-CD2 3.9Å; L473-F476 HydrophobicContact CD1-CD2 3.82Å; L473-F476 HydrophobicContact CD1-CE2 4.14Å; L473-F476 HydrophobicContact CG-CD2 4.5Å; L473-F476 PolarHBondContact O-N 3.37Å; L473-F476 VanDerWaalsContact O-N 3.16Å; F476-R478 PolarHBondContact O-N 3.01Å; F476-K479 HydrophobicContact CB-CB 4.19Å; F476-K479 HydrophobicContact CB-CD 4.47Å; F476-K479 HydrophobicContact CD1-CD 4.34Å; F476-K479 PolarHBondContact O-N 3.01Å; F476-T480 WeakPolarHBondContact O-CB 3.02Å; F476-T480 PolarHBondContact O-N 3.42Å; F476-T480 PolarHBondContact O-OG1 2.89Å; F476-K532 HydrophobicContact CE2-CG 4.44Å; F476-F535 HydrophobicContact CB-CE1 3.81Å; F476-F535 HydrophobicContact CB-CZ 4.27Å; F476-F535 HydrophobicContact CD2-CD1 4.5Å; F476-F535 HydrophobicContact CD2-CE1 4.21Å; F476-F535 HydrophobicContact CG-CE1 4.24Å; F476-L536 HydrophobicContact CZ-CD1 4.43Å; F476-L536 HydrophobicContact CZ-CD2 4.45Å
477	Q	96.3	Very high	97.6	Very high	19 Å²	19	21 Å²	21	9%	0.089	10%	0.098	C	C	.	.	H	α-helix	trans	-58.1	-41.4	-173.8	-69.7	-61.1	-43.5	0	0	113.2	T474 T480 Q481 F496 Q498	T474-Q477 PolarHBondContact O-NE2 2.89Å; Q477-T480 WeakPolarHBondContact O-CB 3.32Å; Q477-T480 PolarHBondContact O-N 3.06Å; Q477-Q481 PolarHBondContact O-N 2.03Å; Q477-F496 HydrophobicContact CB-CB 4.07Å; Q477-F496 WeakPolarHBondContact O-CD2 3.49Å; Q477-Q498 VanDerWaalsContact CB-OE1 3.28Å
478	R	95.8	Very high	97.6	Very high	39 Å²	39	15.7 Å²	15.7	15%	0.147	7%	0.074	C	C	.	.	H	α-helix	trans	-68.4	-44.4	178.5	-67.6	-69.3	-68.5	139	-0.5	112.5	P193 Y194 E197 F476 T480 Q481 Y482 F496	P193-R478 PolarHBondContact O-NH2 3.08Å; Y194-R478 HydrophobicContact CE1-CB 4.41Å; Y194-R478 VanDerWaalsContact CE1-NH1 3.35Å; Y194-R478 VanDerWaalsContact CE1-NH2 3.33Å; Y194-R478 VanDerWaalsContact CE1-O 3.28Å; Y194-R478 WeakPolarHBondContact CE1-O 3.44Å; E197-R478 HydrophobicContact CG-CB 3.85Å; E197-R478 WeakPolarHBondContact OE1-CB 3.44Å; F476-R478 PolarHBondContact O-N 3.01Å; R478-T480 VanDerWaalsContact C-N 3.3Å; R478-T480 PolarHBondContact O-N 2.78Å; R478-Q481 WeakPolarHBondContact O-CB 3.12Å; R478-Q481 PolarHBondContact O-N 3.1Å; R478-Y482 PolarHBondContact O-N 3.44Å; R478-F496 WeakPolarHBondContact CD-O 3.46Å
479	K	96.6	Very high	97.5	Very high	3 Å²	3	21.7 Å²	21.7	1%	0.013	11%	0.106	C	C	.	.	H	α-helix	trans	-65.4	-34.7	174.4	-56.8	-174.4	175	68.7	0	112.1	E197 S200 S201 F476 Y482 L483 F535 L536 Y539	E197-K479 HydrophobicContact CB-CG 4.21Å; E197-K479 HydrophobicContact CG-CG 4.39Å; E197-K479 WeakPolarHBondContact O-CE 3.06Å; E197-K479 PolarHBondContact O-NZ 3.35Å; E197-K479 WeakPolarHBondContact OE2-CG 3.45Å; E197-K479 IonicContact OE2-NZ 2.78Å; E197-K479 PolarHBondContact OE2-NZ 2.65Å; S200-K479 PolarHBondContact OG-NZ 3.39Å; S201-K479 WeakPolarHBondContact OG-CE 3.22Å; F476-K479 HydrophobicContact CB-CB 4.19Å; F476-K479 HydrophobicContact CB-CD 4.47Å; F476-K479 HydrophobicContact CD1-CD 4.34Å; F476-K479 PolarHBondContact O-N 3.01Å; K479-Y482 PolarHBondContact O-N 2.74Å; K479-L483 WeakPolarHBondContact O-CB 3.35Å; K479-L483 PolarHBondContact O-N 3.48Å; K479-F535 HydrophobicContact CB-CE1 3.84Å; K479-F535 HydrophobicContact CB-CZ 3.88Å; K479-L536 HydrophobicContact CD-CD2 4Å; K479-Y539 HydrophobicContact CB-CD2 3.74Å; K479-Y539 HydrophobicContact CB-CE2 4.06Å; K479-Y539 HydrophobicContact CB-CG 4.29Å; K479-Y539 HydrophobicContact CD-CD1 4.02Å; K479-Y539 HydrophobicContact CD-CD2 4.17Å; K479-Y539 HydrophobicContact CD-CE1 4.25Å; K479-Y539 HydrophobicContact CD-CE2 4.38Å; K479-Y539 HydrophobicContact CD-CG 4.01Å; K479-Y539 HydrophobicContact CG-CD1 4.47Å; K479-Y539 HydrophobicContact CG-CD2 3.84Å; K479-Y539 HydrophobicContact CG-CE1 4.45Å; K479-Y539 HydrophobicContact CG-CE2 3.8Å; K479-Y539 HydrophobicContact CG-CG 4.21Å
480	T	98.2	Very high	97.4	Very high	1 Å²	1	22 Å²	22	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-62.9	-42.8	173.7	-70.9	0	0	0	0	110.9	F242 I363 F470 L473 F476 Q477 R478 F484 F496 F535	F242-T480 HydrophobicContact CD2-CG2 4.34Å; F242-T480 HydrophobicContact CE2-CG2 4.26Å; I363-T480 HydrophobicContact CD1-CG2 4.1Å; F470-T480 HydrophobicContact CZ-CG2 4.02Å; F470-T480 WeakPolarHBondContact CZ-O 3.17Å; L473-T480 PolarHBondContact N-OG1 3.34Å; L473-T480 VanDerWaalsContact N-OG1 3.1Å; L473-T480 PolarHBondContact O-OG1 3Å; F476-T480 WeakPolarHBondContact O-CB 3.02Å; F476-T480 PolarHBondContact O-N 3.42Å; F476-T480 PolarHBondContact O-OG1 2.89Å; Q477-T480 WeakPolarHBondContact O-CB 3.32Å; Q477-T480 PolarHBondContact O-N 3.06Å; R478-T480 VanDerWaalsContact C-N 3.3Å; R478-T480 PolarHBondContact O-N 2.78Å; T480-F484 WeakPolarHBondContact O-CB 3.38Å; T480-F484 PolarHBondContact O-N 2.97Å; T480-F496 HydrophobicContact CG2-CE2 4.16Å; T480-F535 WeakPolarHBondContact OG1-CZ 3.28Å
481	Q	98.1	Very high	97.3	Very high	9 Å²	9	26.2 Å²	26.2	4%	0.042	13%	0.128	C	C	.	.	H	α-helix	trans	-59.4	-57.8	171.5	-170.3	-171.1	-24.7	0	0	110.8	Y194 Q477 R478 L483 F484 E485 F492 F496	Y194-Q481 WeakPolarHBondContact OH-CG 3.39Å; Y194-Q481 PolarHBondContact OH-NE2 2.75Å; Q477-Q481 PolarHBondContact O-N 2.03Å; R478-Q481 WeakPolarHBondContact O-CB 3.12Å; R478-Q481 PolarHBondContact O-N 3.1Å; Q481-L483 PolarHBondContact O-N 3.45Å; Q481-F484 PolarHBondContact O-N 3.03Å; Q481-F484 VanDerWaalsContact O-N 3.13Å; Q481-E485 HydrophobicContact CG-CG 4.31Å; Q481-E485 PolarHBondContact NE2-OE1 3.12Å; Q481-E485 WeakPolarHBondContact O-CG 3.44Å; Q481-E485 PolarHBondContact O-N 3.47Å; Q481-F492 HydrophobicContact CG-CB 4.38Å; Q481-F492 HydrophobicContact CG-CD2 3.45Å; Q481-F492 VanDerWaalsContact CG-CD2 3.45Å; Q481-F492 HydrophobicContact CG-CE2 4.04Å; Q481-F492 HydrophobicContact CG-CG 4.23Å; Q481-F496 HydrophobicContact CB-CB 4.28Å; Q481-F496 HydrophobicContact CB-CD1 4.02Å; Q481-F496 HydrophobicContact CB-CD2 3.92Å; Q481-F496 HydrophobicContact CB-CE1 4.28Å; Q481-F496 HydrophobicContact CB-CE2 4.18Å; Q481-F496 HydrophobicContact CB-CG 3.82Å; Q481-F496 HydrophobicContact CB-CZ 4.36Å; Q481-F496 HydrophobicContact CG-CD1 3.81Å; Q481-F496 HydrophobicContact CG-CE1 3.93Å; Q481-F496 HydrophobicContact CG-CG 4.15Å; Q481-F496 HydrophobicContact CG-CZ 4.37Å
482	Y	97.8	Very high	97.2	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.008	13%	0.131	C	C	.	.	H	α-helix	trans	-53	-49.1	-178.1	175.8	-95.1	0	0	0	112.7	Y194 R478 K479 F484 E485 K486 Y539 M542 R543 E546	Y194-Y482 AromaticContact CD2-CD2 3.52Å; Y194-Y482 HydrophobicContact CD2-CD2 3.52Å; Y194-Y482 HydrophobicContact CD2-CE2 4.29Å; Y194-Y482 HydrophobicContact CD2-CG 4.35Å; Y194-Y482 AromaticContact CE2-CD2 3.65Å; Y194-Y482 HydrophobicContact CE2-CD2 3.65Å; Y194-Y482 HydrophobicContact CE2-CG 4.36Å; Y194-Y482 AromaticContact CG-CD2 4Å; Y194-Y482 HydrophobicContact CG-CD2 4Å; Y194-Y482 HydrophobicContact CG-CG 4.48Å; R478-Y482 PolarHBondContact O-N 3.44Å; K479-Y482 PolarHBondContact O-N 2.74Å; Y482-F484 PolarHBondContact O-N 2.91Å; Y482-E485 PolarHBondContact O-N 2.89Å; Y482-K486 HydrophobicContact CD1-CG 4.26Å; Y482-K486 HydrophobicContact CD2-CG 4.26Å; Y482-K486 HydrophobicContact CE1-CG 3.85Å; Y482-K486 HydrophobicContact CE2-CD 4.24Å; Y482-K486 HydrophobicContact CE2-CG 3.88Å; Y482-K486 HydrophobicContact CG-CG 4.45Å; Y482-K486 WeakPolarHBondContact O-CG 3.27Å; Y482-K486 PolarHBondContact O-N 3.16Å; Y482-Y539 AromaticContact CD1-CD2 3.65Å; Y482-Y539 HydrophobicContact CD1-CD2 3.65Å; Y482-Y539 AromaticContact CD1-CE2 3.61Å; Y482-Y539 HydrophobicContact CD1-CE2 3.61Å; Y482-Y539 HydrophobicContact CE1-CD2 4.23Å; Y482-Y539 HydrophobicContact CE1-CE2 4.19Å; Y482-Y539 HydrophobicContact CG-CD2 4.39Å; Y482-Y539 AromaticContact CG-CE2 3.98Å; Y482-Y539 HydrophobicContact CG-CE2 3.98Å; Y482-M542 HydrophobicContact CE1-CB 4.01Å; Y482-M542 HydrophobicContact CE1-CG 3.83Å; Y482-R543 HydrophobicContact CE1-CG 3.99Å; Y482-R543 WeakPolarHBondContact OH-CD 3.35Å; Y482-E546 VanDerWaalsContact CE2-OE2 3.26Å; Y482-E546 WeakPolarHBondContact CE2-OE2 3.35Å; Y482-E546 PolarHBondContact OH-OE2 3Å
483	L	98.2	Very high	97.1	Very high	9 Å²	9	32 Å²	32	5%	0.047	16%	0.158	C	C	.	.	H	α-helix	trans	-67.4	-33.8	-178.4	-83.3	175.9	0	0	0	112.7	F470 K479 Q481 T487 F535 R538 M542	F470-L483 HydrophobicContact CD2-CB 4.19Å; F470-L483 HydrophobicContact CE2-CB 3.68Å; K479-L483 WeakPolarHBondContact O-CB 3.35Å; K479-L483 PolarHBondContact O-N 3.48Å; Q481-L483 PolarHBondContact O-N 3.45Å; L483-T487 VanDerWaalsContact O-CB 3.22Å; L483-T487 WeakPolarHBondContact O-CB 3.31Å; L483-T487 PolarHBondContact O-N 3.44Å; L483-T487 PolarHBondContact O-OG1 2.83Å; L483-F535 HydrophobicContact CD1-CD2 3.85Å; L483-F535 HydrophobicContact CD1-CE2 3.67Å; L483-F535 HydrophobicContact CD1-CG 4.41Å; L483-F535 HydrophobicContact CD1-CZ 4.11Å; L483-R538 HydrophobicContact CD1-CB 4.11Å; L483-R538 HydrophobicContact CD2-CB 4.24Å; L483-M542 HydrophobicContact CD2-CB 4.34Å
484	F	98.6	Very high	97	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-47.1	172.3	-178	-81.9	0	0	0	110.7	I229 F242 L246 I250 I361 F470 T480 Q481 Y482 K486 T487 F488 M490 F492	I229-F484 HydrophobicContact CD1-CZ 4.22Å; F242-F484 HydrophobicContact CE2-CD2 4.48Å; F242-F484 AromaticContact CZ-CD2 3.89Å; F242-F484 HydrophobicContact CZ-CD2 3.89Å; F242-F484 HydrophobicContact CZ-CE2 4.22Å; L246-F484 HydrophobicContact CD2-CE2 3.68Å; L246-F484 HydrophobicContact CD2-CZ 3.68Å; I250-F484 HydrophobicContact CD1-CE1 3.89Å; I250-F484 HydrophobicContact CD1-CZ 3.96Å; I361-F484 HydrophobicContact CD1-CE2 3.97Å; F470-F484 HydrophobicContact CD1-CB 4.49Å; F470-F484 AromaticContact CD1-CD2 3.82Å; F470-F484 HydrophobicContact CD1-CD2 3.82Å; F470-F484 HydrophobicContact CD2-CB 4.25Å; F470-F484 HydrophobicContact CE1-CB 4.14Å; F470-F484 AromaticContact CE1-CD2 3.95Å; F470-F484 HydrophobicContact CE1-CD2 3.95Å; F470-F484 HydrophobicContact CE2-CB 3.88Å; F470-F484 VanDerWaalsContact CE2-N 3.27Å; F470-F484 HydrophobicContact CG-CD2 4.26Å; F470-F484 HydrophobicContact CZ-CB 3.81Å; F470-F484 HydrophobicContact CZ-CD2 4.48Å; T480-F484 WeakPolarHBondContact O-CB 3.38Å; T480-F484 PolarHBondContact O-N 2.97Å; Q481-F484 PolarHBondContact O-N 3.03Å; Q481-F484 VanDerWaalsContact O-N 3.13Å; Y482-F484 PolarHBondContact O-N 2.91Å; F484-K486 PolarHBondContact O-N 3.32Å; F484-T487 PolarHBondContact O-N 2.93Å; F484-F488 HydrophobicContact CD1-CD2 4.29Å; F484-F488 AromaticContact CD2-CD2 3.73Å; F484-F488 HydrophobicContact CD2-CD2 3.73Å; F484-F488 AromaticContact CD2-CE2 3.8Å; F484-F488 HydrophobicContact CD2-CE2 3.8Å; F484-F488 HydrophobicContact CE1-CD2 4.12Å; F484-F488 AromaticContact CE2-CD2 3.54Å; F484-F488 HydrophobicContact CE2-CD2 3.54Å; F484-F488 AromaticContact CE2-CE2 3.59Å; F484-F488 HydrophobicContact CE2-CE2 3.59Å; F484-F488 HydrophobicContact CG-CD2 4.11Å; F484-F488 AromaticContact CZ-CD2 3.75Å; F484-F488 HydrophobicContact CZ-CD2 3.75Å; F484-F488 HydrophobicContact CZ-CE2 4.21Å; F484-F488 HydrophobicContact CZ-CG 4.43Å; F484-F488 PolarHBondContact O-N 2.95Å; F484-M490 HydrophobicContact CE1-CB 4.45Å; F484-M490 HydrophobicContact CE1-SD 4.12Å; F484-M490 HydrophobicContact CZ-SD 4.43Å; F484-F492 HydrophobicContact CB-CE2 4.09Å; F484-F492 HydrophobicContact CD1-CD2 4.48Å; F484-F492 AromaticContact CD1-CE2 3.35Å; F484-F492 HydrophobicContact CD1-CE2 3.35Å; F484-F492 AromaticContact CD1-CZ 3.41Å; F484-F492 HydrophobicContact CD1-CZ 3.41Å; F484-F492 VanDerWaalsContact CD1-CZ 3.41Å; F484-F492 HydrophobicContact CE1-CE2 4.04Å; F484-F492 AromaticContact CE1-CZ 3.69Å; F484-F492 HydrophobicContact CE1-CZ 3.69Å; F484-F492 AromaticContact CG-CE2 3.93Å; F484-F492 HydrophobicContact CG-CE2 3.93Å; F484-F492 AromaticContact CG-CZ 3.97Å; F484-F492 HydrophobicContact CG-CZ 3.97Å; F484-F492 HydrophobicContact CZ-CZ 4.45Å
485	E	97.6	Very high	97	Very high	21 Å²	21	38 Å²	38	10%	0.098	20%	0.198	C	C	.	.	H	α-helix	trans	-56.9	-47.6	179.1	-69.7	175.6	156.6	0	0	111.3	Y194 Q481 Y482 N489 M490 F492	Y194-E485 PolarHBondContact OH-OE2 2.89Å; Q481-E485 HydrophobicContact CG-CG 4.31Å; Q481-E485 PolarHBondContact NE2-OE1 3.12Å; Q481-E485 WeakPolarHBondContact O-CG 3.44Å; Q481-E485 PolarHBondContact O-N 3.47Å; Y482-E485 PolarHBondContact O-N 2.89Å; E485-N489 VanDerWaalsContact O-CA 3.26Å; E485-N489 WeakPolarHBondContact O-CA 3.46Å; E485-N489 PolarHBondContact O-N 3.24Å; E485-M490 WeakPolarHBondContact CA-O 3.38Å; E485-M490 WeakPolarHBondContact CB-O 3.41Å; E485-M490 WeakPolarHBondContact CG-O 3.16Å; E485-M490 PolarHBondContact O-N 2.8Å; E485-F492 HydrophobicContact CG-CD2 3.66Å; E485-F492 HydrophobicContact CG-CE2 4.1Å; E485-F492 WeakPolarHBondContact OE1-CD2 3.27Å; E485-F492 PolarHBondContact OE1-N 3.24Å
486	K	96.8	Very high	97	Very high	75 Å²	75	35.7 Å²	35.7	33%	0.326	19%	0.187	S	C	.	.	H	α-helix	trans	-72.6	-28.4	177.4	-60.7	-48.3	-173.4	-177.7	0	114.3	Y482 F484 M542 E546	Y482-K486 HydrophobicContact CD1-CG 4.26Å; Y482-K486 HydrophobicContact CD2-CG 4.26Å; Y482-K486 HydrophobicContact CE1-CG 3.85Å; Y482-K486 HydrophobicContact CE2-CD 4.24Å; Y482-K486 HydrophobicContact CE2-CG 3.88Å; Y482-K486 HydrophobicContact CG-CG 4.45Å; Y482-K486 WeakPolarHBondContact O-CG 3.27Å; Y482-K486 PolarHBondContact O-N 3.16Å; F484-K486 PolarHBondContact O-N 3.32Å; K486-M542 HydrophobicContact CB-CE 4.09Å; K486-M542 HydrophobicContact CB-CG 3.86Å; K486-M542 HydrophobicContact CB-SD 4.09Å; K486-M542 HydrophobicContact CG-CG 3.89Å; K486-E546 VanDerWaalsContact CE-OE1 3.27Å; K486-E546 WeakPolarHBondContact CE-OE1 3.2Å; K486-E546 IonicContact NZ-OE1 3.81Å; K486-E546 PolarHBondContact NZ-OE1 3.42Å; K486-E546 IonicContact NZ-OE2 3.98Å
487	T	98.1	Very high	96.9	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-72.4	-47.8	178.5	-62.6	0	0	0	0	111.4	R217 V219 A469 F470 L483 F484	R217-T487 HydrophobicContact CB-CG2 4.22Å; V219-T487 HydrophobicContact CG2-CG2 3.97Å; V219-T487 PolarHBondContact N-O 2.88Å; A469-T487 WeakPolarHBondContact O-CG2 3.15Å; F470-T487 HydrophobicContact CB-CG2 4.2Å; L483-T487 VanDerWaalsContact O-CB 3.22Å; L483-T487 WeakPolarHBondContact O-CB 3.31Å; L483-T487 PolarHBondContact O-N 3.44Å; L483-T487 PolarHBondContact O-OG1 2.83Å; F484-T487 PolarHBondContact O-N 2.93Å
488	F	98.1	Very high	96.7	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.018	21%	0.21	C	C	.	.	H	α-helix	trans	-99.6	1.6	-174.4	-65.5	-76	0	0	0	114.3	V219 F221 I229 H359 I361 A469 F470 F484 M490	V219-F488 HydrophobicContact CB-CD1 4.09Å; V219-F488 HydrophobicContact CB-CE1 4.24Å; V219-F488 HydrophobicContact CG1-CD1 4.3Å; V219-F488 HydrophobicContact CG1-CE1 4.35Å; V219-F488 HydrophobicContact CG2-CD1 4.44Å; V219-F488 HydrophobicContact CG2-CE1 4.15Å; F221-F488 HydrophobicContact CB-CD1 4.11Å; F221-F488 HydrophobicContact CD2-CD1 4.19Å; F221-F488 HydrophobicContact CD2-CE1 4.49Å; F221-F488 HydrophobicContact CG-CD1 4.23Å; I229-F488 HydrophobicContact CD1-CD1 4Å; I229-F488 HydrophobicContact CD1-CE1 3.99Å; I229-F488 HydrophobicContact CD1-CE2 4.49Å; I229-F488 HydrophobicContact CD1-CG 4.28Å; I229-F488 HydrophobicContact CD1-CZ 4.24Å; I229-F488 HydrophobicContact CG1-CD1 4.38Å; I229-F488 HydrophobicContact CG1-CE1 3.95Å; I229-F488 HydrophobicContact CG1-CZ 4.26Å; H359-F488 HydrophobicContact CB-CE1 3.88Å; H359-F488 HydrophobicContact CB-CZ 4.28Å; I361-F488 HydrophobicContact CG2-CE2 3.97Å; I361-F488 HydrophobicContact CG2-CZ 3.7Å; A469-F488 HydrophobicContact CB-CE1 4.29Å; A469-F488 HydrophobicContact CB-CZ 3.87Å; F470-F488 HydrophobicContact CB-CE2 3.79Å; F470-F488 HydrophobicContact CB-CZ 4.34Å; F470-F488 HydrophobicContact CG-CE2 4.43Å; F484-F488 HydrophobicContact CD1-CD2 4.29Å; F484-F488 AromaticContact CD2-CD2 3.73Å; F484-F488 HydrophobicContact CD2-CD2 3.73Å; F484-F488 AromaticContact CD2-CE2 3.8Å; F484-F488 HydrophobicContact CD2-CE2 3.8Å; F484-F488 HydrophobicContact CE1-CD2 4.12Å; F484-F488 AromaticContact CE2-CD2 3.54Å; F484-F488 HydrophobicContact CE2-CD2 3.54Å; F484-F488 AromaticContact CE2-CE2 3.59Å; F484-F488 HydrophobicContact CE2-CE2 3.59Å; F484-F488 HydrophobicContact CG-CD2 4.11Å; F484-F488 AromaticContact CZ-CD2 3.75Å; F484-F488 HydrophobicContact CZ-CD2 3.75Å; F484-F488 HydrophobicContact CZ-CE2 4.21Å; F484-F488 HydrophobicContact CZ-CG 4.43Å; F484-F488 PolarHBondContact O-N 2.95Å; F488-M490 HydrophobicContact CB-CE 4.34Å; F488-M490 HydrophobicContact CB-CG 4.04Å; F488-M490 HydrophobicContact CB-SD 4.2Å; F488-M490 PolarHBondContact O-N 3.42Å
489	N	96.7	Very high	96.2	Very high	134 Å²	134	44.6 Å²	44.6	72%	0.717	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	39.1	-173.4	-165.2	56.5	0	0	0	113.1	E485	E485-N489 VanDerWaalsContact O-CA 3.26Å; E485-N489 WeakPolarHBondContact O-CA 3.46Å; E485-N489 PolarHBondContact O-N 3.24Å
490	M	95.8	Very high	95.3	Very high	19 Å²	19	50 Å²	50	9%	0.094	26%	0.26	C	S	.	.			trans	-112.3	160.3	177.2	-64.5	-177.2	-177.1	0	0	110	F221 I229 I250 F484 E485 F488	F221-M490 HydrophobicContact CD1-CE 3.22Å; F221-M490 HydrophobicContact CE1-CE 3.43Å; F221-M490 VanDerWaalsContact CE1-CE 3.43Å; F221-M490 HydrophobicContact CG-CE 4.11Å; F221-M490 HydrophobicContact CZ-CE 4.45Å; I229-M490 HydrophobicContact CD1-CE 4.35Å; I250-M490 HydrophobicContact CD1-SD 4.13Å; I250-M490 HydrophobicContact CG2-CB 4.11Å; I250-M490 HydrophobicContact CG2-CG 4.39Å; I250-M490 HydrophobicContact CG2-SD 3.85Å; F484-M490 HydrophobicContact CE1-CB 4.45Å; F484-M490 HydrophobicContact CE1-SD 4.12Å; F484-M490 HydrophobicContact CZ-SD 4.43Å; E485-M490 WeakPolarHBondContact CA-O 3.38Å; E485-M490 WeakPolarHBondContact CB-O 3.41Å; E485-M490 WeakPolarHBondContact CG-O 3.16Å; E485-M490 PolarHBondContact O-N 2.8Å; F488-M490 HydrophobicContact CB-CE 4.34Å; F488-M490 HydrophobicContact CB-CG 4.04Å; F488-M490 HydrophobicContact CB-SD 4.2Å; F488-M490 PolarHBondContact O-N 3.42Å
491	N	96.4	Very high	94.4	Very high	92 Å²	92	56.3 Å²	56.3	49%	0.492	30%	0.299	S	S	.	.			trans	-117.9	148	171.3	-59.5	-53.4	0	0	0	110.4	Q251	Q251-N491 PolarHBondContact N-O 3.31Å
492	F	97.7	Very high	93.6	Very high	16 Å²	16	57.7 Å²	57.7	7%	0.07	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-92.1	141.1	165.1	-68.1	-82.1	0	0	0	111.9	H245 N249 I250 Q481 F484 E485 F496	H245-F492 HydrophobicContact CB-CD1 4.25Å; H245-F492 HydrophobicContact CB-CE1 3.86Å; N249-F492 HydrophobicContact CB-CD1 4.01Å; N249-F492 CarbonylContact O-C 3.54Å; N249-F492 WeakPolarHBondContact O-CA 3.24Å; N249-F492 WeakPolarHBondContact O-CD1 3.31Å; I250-F492 HydrophobicContact CD1-CE1 4.17Å; I250-F492 HydrophobicContact CG1-CD1 3.78Å; I250-F492 HydrophobicContact CG1-CE1 3.4Å; I250-F492 VanDerWaalsContact CG1-CE1 3.4Å; I250-F492 HydrophobicContact CG1-CZ 4.16Å; Q481-F492 HydrophobicContact CG-CB 4.38Å; Q481-F492 HydrophobicContact CG-CD2 3.45Å; Q481-F492 VanDerWaalsContact CG-CD2 3.45Å; Q481-F492 HydrophobicContact CG-CE2 4.04Å; Q481-F492 HydrophobicContact CG-CG 4.23Å; F484-F492 HydrophobicContact CB-CE2 4.09Å; F484-F492 HydrophobicContact CD1-CD2 4.48Å; F484-F492 AromaticContact CD1-CE2 3.35Å; F484-F492 HydrophobicContact CD1-CE2 3.35Å; F484-F492 AromaticContact CD1-CZ 3.41Å; F484-F492 HydrophobicContact CD1-CZ 3.41Å; F484-F492 VanDerWaalsContact CD1-CZ 3.41Å; F484-F492 HydrophobicContact CE1-CE2 4.04Å; F484-F492 AromaticContact CE1-CZ 3.69Å; F484-F492 HydrophobicContact CE1-CZ 3.69Å; F484-F492 AromaticContact CG-CE2 3.93Å; F484-F492 HydrophobicContact CG-CE2 3.93Å; F484-F492 AromaticContact CG-CZ 3.97Å; F484-F492 HydrophobicContact CG-CZ 3.97Å; F484-F492 HydrophobicContact CZ-CZ 4.45Å; E485-F492 HydrophobicContact CG-CD2 3.66Å; E485-F492 HydrophobicContact CG-CE2 4.1Å; E485-F492 WeakPolarHBondContact OE1-CD2 3.27Å; E485-F492 PolarHBondContact OE1-N 3.24Å; F492-F496 HydrophobicContact CB-CE1 4.37Å; F492-F496 AromaticContact CD1-CE1 3.68Å; F492-F496 HydrophobicContact CD1-CE1 3.68Å; F492-F496 HydrophobicContact CD1-CZ 4.23Å; F492-F496 AromaticContact CD2-CE1 3.76Å; F492-F496 HydrophobicContact CD2-CE1 3.76Å; F492-F496 HydrophobicContact CD2-CZ 4.12Å; F492-F496 AromaticContact CE1-CE1 3.76Å; F492-F496 HydrophobicContact CE1-CE1 3.76Å; F492-F496 AromaticContact CE1-CZ 3.83Å; F492-F496 HydrophobicContact CE1-CZ 3.83Å; F492-F496 AromaticContact CE2-CE1 3.82Å; F492-F496 HydrophobicContact CE2-CE1 3.82Å; F492-F496 AromaticContact CE2-CZ 3.69Å; F492-F496 HydrophobicContact CE2-CZ 3.69Å; F492-F496 AromaticContact CG-CE1 3.67Å; F492-F496 HydrophobicContact CG-CE1 3.67Å; F492-F496 HydrophobicContact CG-CZ 4.36Å; F492-F496 AromaticContact CZ-CE1 3.83Å; F492-F496 HydrophobicContact CZ-CE1 3.83Å; F492-F496 AromaticContact CZ-CZ 3.54Å; F492-F496 HydrophobicContact CZ-CZ 3.54Å
493	I	96.9	Very high	92.8	Very high	110 Å²	110	65.7 Å²	65.7	56%	0.564	34%	0.338	S	S	*	.	S	Bend	trans	-68.2	-44.2	-177.4	-59.8	163.3	0	0	0	111	N249 Q251	N249-I493 PolarHBondContact O-N 3.21Å; Q251-I493 HydrophobicContact CB-CG1 4.01Å
494	S	96.1	Very high	91.9	Very high	65 Å²	65	65.3 Å²	65.3	46%	0.455	34%	0.336	S	S	.	.	S	Bend	trans	-117.8	143.1	175.4	-63.3	0	0	0	0	111.2	N249	N249-S494 PolarHBondContact ND2-O 3.33Å; N249-S494 WeakPolarHBondContact OD1-CB 3.03Å; N249-S494 PolarHBondContact OD1-N 3.32Å
495	P	96.3	Very high	90.9	Very high	81 Å²	81	68.9 Å²	68.9	53%	0.526	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-64.7	145.3	177.8	28.3	-35.3	0	0	0	111.6
496	F	96.3	Very high	90.2	Very high	3 Å²	3	71.9 Å²	71.9	1%	0.013	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-70.1	136.7	172.6	-72.3	22.6	0	0	0	110.1	F242 H245 Q477 R478 T480 Q481 F492	F242-F496 AromaticContact CD2-CE2 3.83Å; F242-F496 HydrophobicContact CD2-CE2 3.83Å; F242-F496 HydrophobicContact CD2-CZ 4.14Å; F242-F496 HydrophobicContact CE2-CE2 4.08Å; F242-F496 HydrophobicContact CE2-CZ 4.2Å; H245-F496 HydrophobicContact CB-CE1 3.67Å; H245-F496 HydrophobicContact CB-CZ 3.74Å; H245-F496 AromaticContact CD2-CE1 3.96Å; H245-F496 AromaticContact CE1-CD1 3.79Å; H245-F496 AromaticContact CG-CD1 3.96Å; H245-F496 AromaticContact CG-CE1 3.48Å; H245-F496 VanDerWaalsContact CG-CE1 3.48Å; H245-F496 AromaticContact CG-CZ 3.8Å; H245-F496 AromaticContact ND1-CD1 3.7Å; H245-F496 AromaticContact ND1-CE1 3.59Å; Q477-F496 HydrophobicContact CB-CB 4.07Å; Q477-F496 WeakPolarHBondContact O-CD2 3.49Å; R478-F496 WeakPolarHBondContact CD-O 3.46Å; T480-F496 HydrophobicContact CG2-CE2 4.16Å; Q481-F496 HydrophobicContact CB-CB 4.28Å; Q481-F496 HydrophobicContact CB-CD1 4.02Å; Q481-F496 HydrophobicContact CB-CD2 3.92Å; Q481-F496 HydrophobicContact CB-CE1 4.28Å; Q481-F496 HydrophobicContact CB-CE2 4.18Å; Q481-F496 HydrophobicContact CB-CG 3.82Å; Q481-F496 HydrophobicContact CB-CZ 4.36Å; Q481-F496 HydrophobicContact CG-CD1 3.81Å; Q481-F496 HydrophobicContact CG-CE1 3.93Å; Q481-F496 HydrophobicContact CG-CG 4.15Å; Q481-F496 HydrophobicContact CG-CZ 4.37Å; F492-F496 HydrophobicContact CB-CE1 4.37Å; F492-F496 AromaticContact CD1-CE1 3.68Å; F492-F496 HydrophobicContact CD1-CE1 3.68Å; F492-F496 HydrophobicContact CD1-CZ 4.23Å; F492-F496 AromaticContact CD2-CE1 3.76Å; F492-F496 HydrophobicContact CD2-CE1 3.76Å; F492-F496 HydrophobicContact CD2-CZ 4.12Å; F492-F496 AromaticContact CE1-CE1 3.76Å; F492-F496 HydrophobicContact CE1-CE1 3.76Å; F492-F496 AromaticContact CE1-CZ 3.83Å; F492-F496 HydrophobicContact CE1-CZ 3.83Å; F492-F496 AromaticContact CE2-CE1 3.82Å; F492-F496 HydrophobicContact CE2-CE1 3.82Å; F492-F496 AromaticContact CE2-CZ 3.69Å; F492-F496 HydrophobicContact CE2-CZ 3.69Å; F492-F496 AromaticContact CG-CE1 3.67Å; F492-F496 HydrophobicContact CG-CE1 3.67Å; F492-F496 HydrophobicContact CG-CZ 4.36Å; F492-F496 AromaticContact CZ-CE1 3.83Å; F492-F496 HydrophobicContact CZ-CE1 3.83Å; F492-F496 AromaticContact CZ-CZ 3.54Å; F492-F496 HydrophobicContact CZ-CZ 3.54Å
497	T	92.8	Very high	89.7	Confident	69 Å²	69	69.1 Å²	69.1	42%	0.423	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-103.4	134.6	-179.7	40.5	0	0	0	0	111.6	Y499	T497-Y499 WeakPolarHBondContact O-CD2 3.47Å; T497-Y499 WeakPolarHBondContact OG1-CE2 3.04Å; T497-Y499 VanDerWaalsContact OG1-CZ 3.23Å; T497-Y499 PolarHBondContact OG1-OH 2.86Å
498	Q	91.7	Very high	89.1	Confident	70 Å²	70	78.4 Å²	78.4	33%	0.327	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-86.1	117.4	-179.8	-174	61.2	43.7	0	0	110.2	T474 E475 Q477 N500	T474-Q498 PolarHBondContact O-NE2 3.07Å; E475-Q498 PolarHBondContact O-OE1 3.33Å; Q477-Q498 VanDerWaalsContact CB-OE1 3.28Å; Q498-N500 VanDerWaalsContact CG-OD1 3.32Å; Q498-N500 WeakPolarHBondContact CG-OD1 3.37Å; Q498-N500 PolarHBondContact NE2-OD1 2.75Å
499	Y	85.4	Confident	88.8	Confident	150 Å²	150	80.4 Å²	80.4	59%	0.588	43%	0.428	S	S	*	.			trans	-112.8	91.5	179.2	-63.5	-73.6	0	0	0	110.6	T497 T502	T497-Y499 WeakPolarHBondContact O-CD2 3.47Å; T497-Y499 WeakPolarHBondContact OG1-CE2 3.04Å; T497-Y499 VanDerWaalsContact OG1-CZ 3.23Å; T497-Y499 PolarHBondContact OG1-OH 2.86Å; Y499-T502 VanDerWaalsContact O-CG2 3.32Å; Y499-T502 WeakPolarHBondContact O-CG2 3.46Å
500	N	78.5	Confident	88.7	Confident	115 Å²	115	77.9 Å²	77.9	62%	0.615	41%	0.414	S	S	*	.			trans	-77.9	-29.4	-179	-66.7	-14	0	0	0	112.6	Q498 T502 S505	Q498-N500 VanDerWaalsContact CG-OD1 3.32Å; Q498-N500 WeakPolarHBondContact CG-OD1 3.37Å; Q498-N500 PolarHBondContact NE2-OD1 2.75Å; N500-T502 PolarHBondContact O-N 3.45Å; N500-S505 PolarHBondContact O-OG 2.85Å; N500-S505 VanDerWaalsContact O-OG 3.07Å
501	T	79.4	Confident	88.6	Confident	135 Å²	135	83.3 Å²	83.3	83%	0.828	44%	0.439	S	S	*	.			trans	-72.9	92.1	173.3	39.5	0	0	0	0	110.8
502	T	81.1	Confident	88.7	Confident	38 Å²	38	85.8 Å²	85.8	23%	0.233	45%	0.448	C	S	.	.			trans	-117.5	158.8	-175.8	66.5	0	0	0	0	112.5	R365 Y499 N500 A504 S505 S506	R365-T502 PolarHBondContact NH2-OG1 3.19Å; Y499-T502 VanDerWaalsContact O-CG2 3.32Å; Y499-T502 WeakPolarHBondContact O-CG2 3.46Å; N500-T502 PolarHBondContact O-N 3.45Å; T502-A504 PolarHBondContact O-N 3.29Å; T502-S505 PolarHBondContact N-OG 2.84Å; T502-S505 PolarHBondContact O-N 2.92Å; T502-S505 PolarHBondContact O-OG 2.89Å; T502-S505 PolarHBondContact OG1-N 3.02Å; T502-S505 PolarHBondContact OG1-OG 3.09Å; T502-S506 PolarHBondContact O-N 3.48Å
503	R	79.8	Confident	88.6	Confident	169 Å²	169	87.8 Å²	87.8	64%	0.638	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	66.1	161	-64	-171.3	-177	-171.3	-170.6	109.9	S373	S373-R503 WeakPolarHBondContact CA-O 3.34Å; S373-R503 PolarHBondContact OG-O 2.88Å
504	A	79	Confident	88.6	Confident	2 Å²	2	86.4 Å²	86.4	2%	0.017	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	-165.4	-48.1	168	0	0	0	0	0	108.6	S369 L372 T502 S506 V507	S369-A504 VanDerWaalsContact O-CB 3.31Å; S369-A504 WeakPolarHBondContact O-CB 3.21Å; L372-A504 HydrophobicContact CB-CB 4.36Å; T502-A504 PolarHBondContact O-N 3.29Å; A504-S506 PolarHBondContact O-N 3.01Å; A504-V507 WeakPolarHBondContact O-CB 3.37Å; A504-V507 WeakPolarHBondContact O-CG2 3.22Å; A504-V507 PolarHBondContact O-N 3.46Å
505	S	79.1	Confident	88.7	Confident	74 Å²	74	89 Å²	89	52%	0.517	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-13.8	175.8	67.5	0	0	0	0	113.7	N500 T502 V507	N500-S505 PolarHBondContact O-OG 2.85Å; N500-S505 VanDerWaalsContact O-OG 3.07Å; T502-S505 PolarHBondContact N-OG 2.84Å; T502-S505 PolarHBondContact O-N 2.92Å; T502-S505 PolarHBondContact O-OG 2.89Å; T502-S505 PolarHBondContact OG1-N 3.02Å; T502-S505 PolarHBondContact OG1-OG 3.09Å; S505-V507 PolarHBondContact O-N 3.01Å
506	S	82.7	Confident	88.8	Confident	84 Å²	84	90.1 Å²	90.1	59%	0.587	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	29.9	167.4	76.3	0	0	0	0	112.3	T502 A504	T502-S506 PolarHBondContact O-N 3.48Å; A504-S506 PolarHBondContact O-N 3.01Å
507	V	85.6	Confident	88.9	Confident	18 Å²	18	90 Å²	90	11%	0.109	45%	0.446	C	S	.	.			trans	-127	104.2	174.7	-174.1	0	0	0	0	106.9	L372 W375 R376 A504 S505 I509	L372-V507 HydrophobicContact CD2-CG1 4.33Å; W375-V507 HydrophobicContact CZ3-CG1 3.85Å; W375-V507 HydrophobicContact CZ3-CG2 4.45Å; R376-V507 HydrophobicContact CG-CG2 3.98Å; A504-V507 WeakPolarHBondContact O-CB 3.37Å; A504-V507 WeakPolarHBondContact O-CG2 3.22Å; A504-V507 PolarHBondContact O-N 3.46Å; S505-V507 PolarHBondContact O-N 3.01Å; V507-I509 HydrophobicContact CG1-CG2 3.94Å
508	E	85.6	Confident	89.2	Confident	199 Å²	199	89.3 Å²	89.3	93%	0.93	44%	0.438	S	S	*	.			trans	-68	130.1	166.6	-71.5	152.4	-144.1	0	0	108.7
509	I	91.4	Very high	89.5	Confident	46 Å²	46	88.2 Å²	88.2	24%	0.236	45%	0.446	C	S	.	.			trans	-135	149.6	172.7	59.4	170.3	0	0	0	108.2	V368 L372 L415 V507 I513 Q514 I517	V368-I509 HydrophobicContact CG1-CD1 4.2Å; L372-I509 HydrophobicContact CD1-CD1 4.17Å; L372-I509 HydrophobicContact CD2-CG2 4.24Å; L415-I509 HydrophobicContact CD2-CG2 4.19Å; V507-I509 HydrophobicContact CG1-CG2 3.94Å; I509-I513 HydrophobicContact CB-CB 4.22Å; I509-I513 HydrophobicContact CB-CG2 3.92Å; I509-I513 HydrophobicContact CD1-CG2 4.36Å; I509-I513 HydrophobicContact CG2-CG2 3.85Å; I509-Q514 HydrophobicContact CD1-CB 3.73Å; I509-Q514 HydrophobicContact CD1-CG 4.27Å; I509-I517 HydrophobicContact CD1-CD1 4.35Å
510	N	94.1	Very high	90.2	Very high	80 Å²	80	83 Å²	83	43%	0.428	43%	0.428	S	S	.	.			trans	-79.8	166.6	170.1	70.8	-9	0	0	0	110.5	E512 I513 Q514	N510-E512 PolarHBondContact ND2-OE2 2.8Å; N510-E512 PolarHBondContact O-N 3.25Å; N510-I513 PolarHBondContact O-N 3.32Å; N510-I513 VanDerWaalsContact OD1-CB 3.24Å; N510-I513 WeakPolarHBondContact OD1-CB 3.35Å; N510-I513 WeakPolarHBondContact OD1-CD1 3.46Å; N510-I513 WeakPolarHBondContact OD1-CG1 3Å; N510-I513 PolarHBondContact OD1-N 3.3Å; N510-Q514 PolarHBondContact O-N 2.82Å
511	E	95.6	Very high	91.1	Very high	134 Å²	134	77.6 Å²	77.6	63%	0.626	40%	0.398	S	S	*	.	H	α-helix	trans	-59.4	-31.6	178.8	-67.3	-169.8	-166.8	0	0	113.4	Q514 K515	E511-Q514 PolarHBondContact O-N 3.29Å; E511-K515 HydrophobicContact CB-CD 4.49Å; E511-K515 WeakPolarHBondContact O-CB 3.22Å; E511-K515 WeakPolarHBondContact O-CD 3.5Å; E511-K515 VanDerWaalsContact O-CG 3.22Å; E511-K515 WeakPolarHBondContact O-CG 3.42Å; E511-K515 PolarHBondContact O-N 3.34Å; E511-K515 IonicContact OE2-NZ 3.75Å; E511-K515 PolarHBondContact OE2-NZ 2.92Å
512	E	96.9	Very high	92.1	Very high	144 Å²	144	75.6 Å²	75.6	67%	0.673	38%	0.378	S	S	*	.	H	α-helix	trans	-64.6	-49.9	178.9	-175.5	-166.3	-174.4	0	0	111.2	N510 Q514 K515 R516	N510-E512 PolarHBondContact ND2-OE2 2.8Å; N510-E512 PolarHBondContact O-N 3.25Å; E512-Q514 VanDerWaalsContact C-N 3.28Å; E512-Q514 PolarHBondContact O-N 3.39Å; E512-K515 PolarHBondContact O-N 2.8Å; E512-R516 WeakPolarHBondContact O-CB 3.33Å; E512-R516 PolarHBondContact O-N 3.35Å
513	I	97.1	Very high	92.9	Very high	57 Å²	57	74.2 Å²	74.2	29%	0.292	37%	0.37	S	S	.	.	H	α-helix	trans	-61.9	-39.2	174.1	-71	167.2	0	0	0	110.1	L415 M419 I509 N510 R516 I517	L415-I513 HydrophobicContact CD2-CG2 3.81Å; M419-I513 HydrophobicContact CE-CG2 4.5Å; M419-I513 HydrophobicContact SD-CG2 4.31Å; I509-I513 HydrophobicContact CB-CB 4.22Å; I509-I513 HydrophobicContact CB-CG2 3.92Å; I509-I513 HydrophobicContact CD1-CG2 4.36Å; I509-I513 HydrophobicContact CG2-CG2 3.85Å; N510-I513 PolarHBondContact O-N 3.32Å; N510-I513 VanDerWaalsContact OD1-CB 3.24Å; N510-I513 WeakPolarHBondContact OD1-CB 3.35Å; N510-I513 WeakPolarHBondContact OD1-CD1 3.46Å; N510-I513 WeakPolarHBondContact OD1-CG1 3Å; N510-I513 PolarHBondContact OD1-N 3.3Å; I513-R516 PolarHBondContact O-N 3.18Å; I513-I517 HydrophobicContact CG2-CD1 3.84Å; I513-I517 HydrophobicContact CG2-CG1 4.38Å; I513-I517 VanDerWaalsContact O-CG1 3.28Å; I513-I517 WeakPolarHBondContact O-CG1 3.27Å; I513-I517 PolarHBondContact O-N 2.89Å
514	Q	97.3	Very high	93.8	Very high	82 Å²	82	66.1 Å²	66.1	38%	0.383	34%	0.339	S	S	.	.	H	α-helix	trans	-60.8	-55.6	175.3	-174	178.6	-36.9	0	0	111.3	V368 I509 N510 E511 E512 R516 I517 E518	V368-Q514 HydrophobicContact CG1-CG 4.38Å; V368-Q514 HydrophobicContact CG2-CG 4.46Å; I509-Q514 HydrophobicContact CD1-CB 3.73Å; I509-Q514 HydrophobicContact CD1-CG 4.27Å; N510-Q514 PolarHBondContact O-N 2.82Å; E511-Q514 PolarHBondContact O-N 3.29Å; E512-Q514 VanDerWaalsContact C-N 3.28Å; E512-Q514 PolarHBondContact O-N 3.39Å; Q514-R516 PolarHBondContact O-N 2.96Å; Q514-I517 PolarHBondContact O-N 3.38Å; Q514-E518 HydrophobicContact CG-CG 4.36Å; Q514-E518 WeakPolarHBondContact CG-OE1 3.26Å; Q514-E518 PolarHBondContact NE2-OE1 2.63Å; Q514-E518 WeakPolarHBondContact O-CG 3.42Å; Q514-E518 PolarHBondContact O-N 2.6Å
515	K	98.1	Very high	94.8	Very high	120 Å²	120	68.9 Å²	68.9	52%	0.522	35%	0.352	S	S	.	.	H	α-helix	trans	-56.7	-35.8	178.3	-72.2	159.9	-178.1	162.7	0	111.6	E511 E512 G519	E511-K515 HydrophobicContact CB-CD 4.49Å; E511-K515 WeakPolarHBondContact O-CB 3.22Å; E511-K515 WeakPolarHBondContact O-CD 3.5Å; E511-K515 VanDerWaalsContact O-CG 3.22Å; E511-K515 WeakPolarHBondContact O-CG 3.42Å; E511-K515 PolarHBondContact O-N 3.34Å; E511-K515 IonicContact OE2-NZ 3.75Å; E511-K515 PolarHBondContact OE2-NZ 2.92Å; E512-K515 PolarHBondContact O-N 2.8Å; K515-G519 PolarHBondContact O-N 2.9Å
516	R	98.3	Very high	95.7	Very high	104 Å²	104	69.3 Å²	69.3	39%	0.392	35%	0.346	S	S	.	.	H	α-helix	trans	-70.9	-38.2	174.4	-169.2	178.4	175.7	-139.6	-6.9	113	M419 D420 E512 I513 Q514 G519 L520	M419-R516 HydrophobicContact CE-CB 3.65Å; M419-R516 HydrophobicContact CE-CG 3.47Å; M419-R516 VanDerWaalsContact CE-CG 3.47Å; M419-R516 PolarHBondContact O-NH2 2.97Å; D420-R516 IonicContact OD1-CZ 3.31Å; D420-R516 IonicContact OD1-NH1 3.11Å; D420-R516 PolarHBondContact OD1-NH1 3.23Å; D420-R516 IonicContact OD1-NH2 3.46Å; D420-R516 PolarHBondContact OD1-NH2 3.4Å; E512-R516 WeakPolarHBondContact O-CB 3.33Å; E512-R516 PolarHBondContact O-N 3.35Å; I513-R516 PolarHBondContact O-N 3.18Å; Q514-R516 PolarHBondContact O-N 2.96Å; R516-G519 PolarHBondContact O-N 2.81Å; R516-L520 WeakPolarHBondContact O-CG 3.45Å; R516-L520 PolarHBondContact O-N 2.85Å
517	I	98.6	Very high	96.5	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-66.7	-41.4	172.8	-68.5	168.9	0	0	0	110.7	V368 Y371 L372 M419 I509 I513 Q514 G519 L520 N521	V368-I517 HydrophobicContact CB-CG2 4.33Å; V368-I517 HydrophobicContact CG1-CG2 4.16Å; V368-I517 HydrophobicContact CG2-CG2 4.19Å; Y371-I517 HydrophobicContact CD1-CD1 4.27Å; Y371-I517 HydrophobicContact CD1-CG1 4.07Å; Y371-I517 HydrophobicContact CD1-CG2 3.71Å; Y371-I517 HydrophobicContact CE1-CG1 4.18Å; Y371-I517 HydrophobicContact CE1-CG2 4.4Å; Y371-I517 HydrophobicContact CG-CG2 3.92Å; L372-I517 HydrophobicContact CD2-CD1 3.62Å; L372-I517 HydrophobicContact CG-CD1 4.12Å; M419-I517 HydrophobicContact CE-CG1 3.55Å; M419-I517 HydrophobicContact CG-CG1 4.49Å; M419-I517 HydrophobicContact SD-CD1 4.15Å; M419-I517 HydrophobicContact SD-CG1 3.66Å; I509-I517 HydrophobicContact CD1-CD1 4.35Å; I513-I517 HydrophobicContact CG2-CD1 3.84Å; I513-I517 HydrophobicContact CG2-CG1 4.38Å; I513-I517 VanDerWaalsContact O-CG1 3.28Å; I513-I517 WeakPolarHBondContact O-CG1 3.27Å; I513-I517 PolarHBondContact O-N 2.89Å; Q514-I517 PolarHBondContact O-N 3.38Å; I517-G519 VanDerWaalsContact C-N 3.35Å; I517-L520 PolarHBondContact O-N 3.48Å; I517-N521 WeakPolarHBondContact O-CB 3.35Å; I517-N521 PolarHBondContact O-N 3.29Å; I517-N521 VanDerWaalsContact O-N 3.09Å; I517-N521 PolarHBondContact O-ND2 2.83Å
518	E	98.6	Very high	97.1	Very high	55 Å²	55	65.5 Å²	65.5	26%	0.257	32%	0.317	S	S	.	.	H	α-helix	trans	-60.3	-44.6	174.7	-68.8	172.8	175.7	0	0	110.8	V368 Q514 N521 F522 M525	V368-E518 HydrophobicContact CG2-CG 3.61Å; Q514-E518 HydrophobicContact CG-CG 4.36Å; Q514-E518 WeakPolarHBondContact CG-OE1 3.26Å; Q514-E518 PolarHBondContact NE2-OE1 2.63Å; Q514-E518 WeakPolarHBondContact O-CG 3.42Å; Q514-E518 PolarHBondContact O-N 2.6Å; E518-N521 CarbonylContact O-C 3.56Å; E518-N521 PolarHBondContact O-N 2.03Å; E518-N521 VanDerWaalsContact O-N 3.07Å; E518-F522 WeakPolarHBondContact O-CA 3.37Å; E518-F522 PolarHBondContact O-N 3.47Å; E518-M525 HydrophobicContact CB-CE 4.45Å; E518-M525 HydrophobicContact CB-CG 4.46Å; E518-M525 HydrophobicContact CG-CE 3.83Å; E518-M525 HydrophobicContact CG-SD 4.19Å
519	G	98.6	Very high	97.7	Very high	47 Å²	47	58 Å²	58	49%	0.485	29%	0.287	S	S	.	.	H	α-helix	trans	-59.4	-43.8	173	0	0	0	0	0	113.7	K515 R516 I517 N521 F522	K515-G519 PolarHBondContact O-N 2.9Å; R516-G519 PolarHBondContact O-N 2.81Å; I517-G519 VanDerWaalsContact C-N 3.35Å; G519-N521 PolarHBondContact O-N 3.32Å; G519-F522 WeakPolarHBondContact O-CD1 3.33Å
520	L	98.6	Very high	98.1	Very high	41 Å²	41	57 Å²	57	22%	0.215	28%	0.28	C	S	.	.	H	α-helix	trans	-67.7	-13.8	174.5	-71.8	169.5	0	0	0	114	M419 R516 I517	M419-L520 HydrophobicContact CB-CD1 3.69Å; M419-L520 HydrophobicContact CE-CD1 4.04Å; M419-L520 HydrophobicContact CG-CD1 3.83Å; R516-L520 WeakPolarHBondContact O-CG 3.45Å; R516-L520 PolarHBondContact O-N 2.85Å; I517-L520 PolarHBondContact O-N 3.48Å
521	N	98.8	Very high	98.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.4	25.7	-176.2	-67.2	-90	0	0	0	112.3	P367 R370 Y371 A426 N428 I517 E518 G519 L523 D524 M525	P367-N521 HydrophobicContact CB-CB 4.04Å; R370-N521 PolarHBondContact NH2-OD1 3.27Å; Y371-N521 WeakPolarHBondContact CD2-ND2 3.37Å; A426-N521 PolarHBondContact O-OD1 2.88Å; N428-N521 PolarHBondContact N-OD1 3.01Å; N428-N521 VanDerWaalsContact OD1-CA 3.25Å; N428-N521 WeakPolarHBondContact OD1-CA 3.39Å; N428-N521 PolarHBondContact OD1-O 3.49Å; I517-N521 WeakPolarHBondContact O-CB 3.35Å; I517-N521 PolarHBondContact O-N 3.29Å; I517-N521 VanDerWaalsContact O-N 3.09Å; I517-N521 PolarHBondContact O-ND2 2.83Å; E518-N521 CarbonylContact O-C 3.56Å; E518-N521 PolarHBondContact O-N 2.03Å; E518-N521 VanDerWaalsContact O-N 3.07Å; G519-N521 PolarHBondContact O-N 3.32Å; N521-L523 VanDerWaalsContact C-N 3.31Å; N521-L523 PolarHBondContact O-N 3.37Å; N521-D524 HydrophobicContact CB-CB 4.02Å; N521-D524 CarbonylContact O-C 3.5Å; N521-D524 WeakPolarHBondContact O-CA 3.25Å; N521-D524 WeakPolarHBondContact O-CB 3.39Å; N521-D524 PolarHBondContact O-N 3.31Å; N521-M525 WeakPolarHBondContact O-CG 3.31Å; N521-M525 PolarHBondContact O-N 2.94Å
522	F	98.8	Very high	98.4	Very high	93 Å²	93	50.8 Å²	50.8	41%	0.408	25%	0.247	S	C	.	.	H	α-helix	trans	-59.7	-34.3	-169.5	73	-78.2	0	0	0	114.6	N428 E518 G519 M525 E526	N428-F522 PolarHBondContact OD1-N 3.29Å; E518-F522 WeakPolarHBondContact O-CA 3.37Å; E518-F522 PolarHBondContact O-N 3.47Å; G519-F522 WeakPolarHBondContact O-CD1 3.33Å; F522-M525 WeakPolarHBondContact O-CB 3.32Å; F522-M525 PolarHBondContact O-N 3.44Å; F522-E526 PolarHBondContact O-N 2.91Å; F522-E526 VanDerWaalsContact O-N 3.11Å
523	L	98.9	Very high	98.5	Very high	9 Å²	9	44.1 Å²	44.1	5%	0.047	22%	0.217	C	C	.	.	H	α-helix	trans	-71.4	-40.9	173.9	-52.8	175.2	0	0	0	110.7	N428 V431 N454 L458 N521 M525 E526 L527	N428-L523 HydrophobicContact CB-CB 4.36Å; N428-L523 HydrophobicContact CB-CD1 4.44Å; N428-L523 WeakPolarHBondContact OD1-CB 3.33Å; N428-L523 PolarHBondContact OD1-N 3.47Å; V431-L523 HydrophobicContact CB-CB 4.18Å; V431-L523 HydrophobicContact CG1-CB 4.2Å; V431-L523 HydrophobicContact CG1-CD1 4.37Å; V431-L523 VanDerWaalsContact CG2-C 3.5Å; V431-L523 HydrophobicContact CG2-CB 3.82Å; V431-L523 VanDerWaalsContact CG2-O 3.31Å; V431-L523 WeakPolarHBondContact CG2-O 3.29Å; N454-L523 HydrophobicContact CB-CD1 4.02Å; N454-L523 HydrophobicContact CB-CD2 4.05Å; L458-L523 HydrophobicContact CB-CD2 4.35Å; L458-L523 HydrophobicContact CD2-CD2 4.16Å; N521-L523 VanDerWaalsContact C-N 3.31Å; N521-L523 PolarHBondContact O-N 3.37Å; L523-M525 VanDerWaalsContact C-N 3.26Å; L523-M525 PolarHBondContact O-N 2.88Å; L523-E526 PolarHBondContact O-N 3.19Å; L523-L527 VanDerWaalsContact O-CB 3.28Å; L523-L527 WeakPolarHBondContact O-CB 3.47Å; L523-L527 PolarHBondContact O-N 3.28Å
524	D	98.9	Very high	98.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.3	-36.5	172.2	-111.2	50.2	0	0	0	111.2	P367 R370 N428 R429 Q430 V431 N521 Y528	P367-D524 HydrophobicContact CB-CB 3.9Å; P367-D524 VanDerWaalsContact CG-C 3.44Å; P367-D524 HydrophobicContact CG-CB 3.8Å; P367-D524 VanDerWaalsContact CG-O 3.3Å; P367-D524 WeakPolarHBondContact CG-O 3.18Å; R370-D524 IonicContact CZ-OD2 2.89Å; R370-D524 IonicContact NE-OD2 2.89Å; R370-D524 PolarHBondContact NE-OD2 2.94Å; R370-D524 VanDerWaalsContact NE-OD2 3.11Å; R370-D524 IonicContact NH2-OD2 3.19Å; R370-D524 PolarHBondContact NH2-OD2 3.23Å; N428-D524 WeakPolarHBondContact CA-OD1 3.34Å; N428-D524 PolarHBondContact OD1-N 3.37Å; N428-D524 VanDerWaalsContact OD1-N 3.15Å; R429-D524 PolarHBondContact N-OD1 2.94Å; Q430-D524 WeakPolarHBondContact CA-OD1 3.03Å; Q430-D524 WeakPolarHBondContact CB-OD1 3.34Å; Q430-D524 WeakPolarHBondContact CB-OD2 3.44Å; Q430-D524 WeakPolarHBondContact CG-OD2 3.5Å; Q430-D524 PolarHBondContact N-OD1 3.19Å; Q430-D524 PolarHBondContact N-OD2 2.04Å; Q430-D524 PolarHBondContact NE2-OD2 3.14Å; V431-D524 PolarHBondContact N-OD1 3.21Å; N521-D524 HydrophobicContact CB-CB 4.02Å; N521-D524 CarbonylContact O-C 3.5Å; N521-D524 WeakPolarHBondContact O-CA 3.25Å; N521-D524 WeakPolarHBondContact O-CB 3.39Å; N521-D524 PolarHBondContact O-N 3.31Å; D524-Y528 WeakPolarHBondContact O-CB 3.24Å; D524-Y528 PolarHBondContact O-N 2.93Å
525	M	98.8	Very high	98.6	Very high	59 Å²	59	37.6 Å²	37.6	29%	0.291	19%	0.185	S	C	.	.	H	α-helix	trans	-67.2	-47.1	176.5	-67.1	-64.5	-71.9	0	0	111.9	P367 V368 E518 N521 F522 L523 Y528 S529	P367-M525 HydrophobicContact CB-CG 4.39Å; P367-M525 HydrophobicContact CB-SD 3.72Å; P367-M525 HydrophobicContact CG-CG 4.26Å; P367-M525 HydrophobicContact CG-SD 3.61Å; V368-M525 HydrophobicContact CG2-SD 4.41Å; E518-M525 HydrophobicContact CB-CE 4.45Å; E518-M525 HydrophobicContact CB-CG 4.46Å; E518-M525 HydrophobicContact CG-CE 3.83Å; E518-M525 HydrophobicContact CG-SD 4.19Å; N521-M525 WeakPolarHBondContact O-CG 3.31Å; N521-M525 PolarHBondContact O-N 2.94Å; F522-M525 WeakPolarHBondContact O-CB 3.32Å; F522-M525 PolarHBondContact O-N 3.44Å; L523-M525 VanDerWaalsContact C-N 3.26Å; L523-M525 PolarHBondContact O-N 2.88Å; M525-Y528 PolarHBondContact O-N 2.96Å; M525-S529 WeakPolarHBondContact O-CB 3.27Å; M525-S529 PolarHBondContact O-N 2.82Å
526	E	98.7	Very high	98.5	Very high	84 Å²	84	32.5 Å²	32.5	39%	0.393	16%	0.163	S	C	.	.	H	α-helix	trans	-68.1	-42.8	177.7	-160.5	-172.1	128.8	0	0	111.6	L458 K462 F522 L523 Y528 S529 Y530	L458-E526 HydrophobicContact CD2-CB 4.08Å; L458-E526 HydrophobicContact CD2-CG 4.27Å; K462-E526 WeakPolarHBondContact CE-OE1 3.38Å; K462-E526 IonicContact NZ-OE1 3.53Å; K462-E526 PolarHBondContact NZ-OE1 3.38Å; F522-E526 PolarHBondContact O-N 2.91Å; F522-E526 VanDerWaalsContact O-N 3.11Å; L523-E526 PolarHBondContact O-N 3.19Å; E526-Y528 VanDerWaalsContact C-N 3.35Å; E526-Y528 PolarHBondContact O-N 3.14Å; E526-S529 PolarHBondContact O-N 3.23Å; E526-Y530 WeakPolarHBondContact O-CB 3.38Å; E526-Y530 PolarHBondContact O-N 2.96Å
527	L	98.9	Very high	98.5	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-58.3	-45.9	173.4	177.5	69.8	0	0	0	111.3	Q430 V431 L434 L458 A461 K462 L465 L523 Y530 A531	Q430-L527 HydrophobicContact CB-CD2 4.04Å; V431-L527 HydrophobicContact CB-CD2 4.39Å; V431-L527 HydrophobicContact CG2-CB 3.58Å; V431-L527 HydrophobicContact CG2-CD2 3.53Å; V431-L527 HydrophobicContact CG2-CG 4.1Å; L434-L527 HydrophobicContact CD1-CD2 3.89Å; L458-L527 HydrophobicContact CD1-CB 3.9Å; A461-L527 HydrophobicContact CB-CD1 4.09Å; A461-L527 HydrophobicContact CB-CD2 4.26Å; K462-L527 HydrophobicContact CG-CD1 4.07Å; L465-L527 HydrophobicContact CD2-CD1 4.14Å; L523-L527 VanDerWaalsContact O-CB 3.28Å; L523-L527 WeakPolarHBondContact O-CB 3.47Å; L523-L527 PolarHBondContact O-N 3.28Å; L527-Y530 PolarHBondContact O-N 3.22Å; L527-A531 VanDerWaalsContact O-CB 3.22Å; L527-A531 WeakPolarHBondContact O-CB 3.45Å; L527-A531 PolarHBondContact O-N 3.32Å
528	Y	98.8	Very high	98.4	Very high	20 Å²	20	28.9 Å²	28.9	8%	0.078	15%	0.15	C	C	.	.	H	α-helix	trans	-68.8	-36.2	-179.7	-178.7	-94.1	0	0	0	111.9	R365 D366 L473 E475 D524 M525 E526 A531 K532	R365-Y528 VanDerWaalsContact C-CD2 3.41Å; R365-Y528 WeakPolarHBondContact O-CD2 3.5Å; D366-Y528 HydrophobicContact CB-CE1 4.32Å; L473-Y528 HydrophobicContact CD2-CE2 4.09Å; E475-Y528 VanDerWaalsContact CD-OH 3.27Å; E475-Y528 VanDerWaalsContact OE1-CZ 3.27Å; E475-Y528 PolarHBondContact OE1-OH 2.92Å; D524-Y528 WeakPolarHBondContact O-CB 3.24Å; D524-Y528 PolarHBondContact O-N 2.93Å; M525-Y528 PolarHBondContact O-N 2.96Å; E526-Y528 VanDerWaalsContact C-N 3.35Å; E526-Y528 PolarHBondContact O-N 3.14Å; Y528-A531 PolarHBondContact O-N 2.73Å; Y528-K532 HydrophobicContact CE1-CB 4.33Å; Y528-K532 HydrophobicContact CE1-CD 3.87Å; Y528-K532 WeakPolarHBondContact O-CB 3.07Å; Y528-K532 PolarHBondContact O-N 3.46Å
529	S	98.3	Very high	98.3	Very high	42 Å²	42	26.3 Å²	26.3	29%	0.294	14%	0.138	S	C	.	.	H	α-helix	trans	-58.9	-48.5	171.9	-175.4	0	0	0	0	111.4	M525 E526 D533	M525-S529 WeakPolarHBondContact O-CB 3.27Å; M525-S529 PolarHBondContact O-N 2.82Å; E526-S529 PolarHBondContact O-N 3.23Å; S529-D533 PolarHBondContact O-N 3.31Å; S529-D533 VanDerWaalsContact O-N 3.14Å
530	Y	98.8	Very high	98.1	Very high	24 Å²	24	26.1 Å²	26.1	9%	0.094	13%	0.125	C	C	.	.	H	α-helix	trans	-61.5	-45.6	174.9	174	-91.4	0	0	0	112.8	Y208 F210 K462 E526 L527 K532 D533 L534	Y208-Y530 HydrophobicContact CD1-CD2 4.36Å; Y208-Y530 AromaticContact CD2-CD2 3.99Å; Y208-Y530 HydrophobicContact CD2-CD2 3.99Å; Y208-Y530 HydrophobicContact CE1-CD2 4.33Å; Y208-Y530 AromaticContact CE2-CD2 3.97Å; Y208-Y530 HydrophobicContact CE2-CD2 3.97Å; Y208-Y530 HydrophobicContact CE2-CG 4.46Å; Y208-Y530 HydrophobicContact CG-CD2 4.2Å; F210-Y530 HydrophobicContact CE1-CD2 4.43Å; F210-Y530 AromaticContact CE1-CE2 3.6Å; F210-Y530 HydrophobicContact CE1-CE2 3.6Å; F210-Y530 AromaticContact CE1-CZ 3.71Å; F210-Y530 AromaticContact CZ-CD2 3.95Å; F210-Y530 HydrophobicContact CZ-CD2 3.95Å; F210-Y530 AromaticContact CZ-CE2 3.58Å; F210-Y530 HydrophobicContact CZ-CE2 3.58Å; F210-Y530 AromaticContact CZ-CZ 3.91Å; K462-Y530 HydrophobicContact CB-CD1 4.18Å; K462-Y530 HydrophobicContact CB-CE1 3.8Å; K462-Y530 HydrophobicContact CD-CD2 4.34Å; K462-Y530 HydrophobicContact CD-CE2 4.47Å; K462-Y530 HydrophobicContact CD-CG 4.39Å; K462-Y530 HydrophobicContact CG-CD1 3.82Å; K462-Y530 HydrophobicContact CG-CD2 4.41Å; K462-Y530 HydrophobicContact CG-CE1 3.96Å; K462-Y530 HydrophobicContact CG-CG 4.05Å; E526-Y530 WeakPolarHBondContact O-CB 3.38Å; E526-Y530 PolarHBondContact O-N 2.96Å; L527-Y530 PolarHBondContact O-N 3.22Å; Y530-K532 PolarHBondContact O-N 3.2Å; Y530-D533 PolarHBondContact O-N 3.42Å; Y530-L534 HydrophobicContact CE1-CD2 4.3Å; Y530-L534 WeakPolarHBondContact O-CB 3.33Å; Y530-L534 PolarHBondContact O-N 2.68Å
531	A	98.8	Very high	97.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.5	-39.5	-179.8	0	0	0	0	0	112.5	L364 L465 F471 L527 Y528 F535	L364-A531 HydrophobicContact CD1-CB 3.71Å; L465-A531 HydrophobicContact CD2-CB 3.56Å; F471-A531 HydrophobicContact CE2-CB 4Å; F471-A531 WeakPolarHBondContact CE2-O 3.44Å; F471-A531 HydrophobicContact CZ-CB 4.24Å; F471-A531 WeakPolarHBondContact CZ-O 3.39Å; L527-A531 VanDerWaalsContact O-CB 3.22Å; L527-A531 WeakPolarHBondContact O-CB 3.45Å; L527-A531 PolarHBondContact O-N 3.32Å; Y528-A531 PolarHBondContact O-N 2.73Å; A531-F535 WeakPolarHBondContact O-CB 3.21Å; A531-F535 PolarHBondContact O-N 2.85Å
532	K	98.3	Very high	97.7	Very high	84 Å²	84	27 Å²	27	37%	0.365	13%	0.127	S	C	.	.	H	α-helix	trans	-65.7	-42.4	177.2	-177.4	173.1	176	179	0	111.7	L473 F476 Y528 Y530 L536	L473-K532 HydrophobicContact CD1-CB 4.3Å; L473-K532 HydrophobicContact CD1-CG 4.41Å; F476-K532 HydrophobicContact CE2-CG 4.44Å; Y528-K532 HydrophobicContact CE1-CB 4.33Å; Y528-K532 HydrophobicContact CE1-CD 3.87Å; Y528-K532 WeakPolarHBondContact O-CB 3.07Å; Y528-K532 PolarHBondContact O-N 3.46Å; Y530-K532 PolarHBondContact O-N 3.2Å; K532-L536 HydrophobicContact CG-CD1 4.02Å; K532-L536 WeakPolarHBondContact O-CB 3.28Å; K532-L536 WeakPolarHBondContact O-CG 3.49Å; K532-L536 PolarHBondContact O-N 3.2Å
533	D	98	Very high	97.4	Very high	5 Å²	5	22.9 Å²	22.9	3%	0.027	11%	0.109	C	C	.	.	H	α-helix	trans	-62.5	-53.1	174.7	-175	51.9	0	0	0	111.4	F204 P206 R207 Y208 F210 S529 Y530 F535 L536 Q537	F204-D533 HydrophobicContact CZ-CB 4.48Å; F204-D533 WeakPolarHBondContact CZ-OD1 3.32Å; P206-D533 WeakPolarHBondContact CA-OD1 3.36Å; R207-D533 PolarHBondContact N-OD1 3.37Å; R207-D533 PolarHBondContact N-OD2 3.38Å; Y208-D533 WeakPolarHBondContact CA-OD2 3.32Å; Y208-D533 WeakPolarHBondContact CB-OD2 3.34Å; Y208-D533 HydrophobicContact CD2-CB 4.16Å; Y208-D533 VanDerWaalsContact CD2-OD2 3.29Å; Y208-D533 WeakPolarHBondContact CD2-OD2 3.24Å; Y208-D533 PolarHBondContact N-OD2 3.13Å; F210-D533 HydrophobicContact CE2-CB 4.5Å; F210-D533 WeakPolarHBondContact CE2-OD2 3.47Å; S529-D533 PolarHBondContact O-N 3.31Å; S529-D533 VanDerWaalsContact O-N 3.14Å; Y530-D533 PolarHBondContact O-N 3.42Å; D533-F535 VanDerWaalsContact C-N 3.32Å; D533-F535 PolarHBondContact O-N 2.91Å; D533-L536 PolarHBondContact O-N 3.48Å; D533-Q537 WeakPolarHBondContact O-CB 3.35Å; D533-Q537 WeakPolarHBondContact O-CG 3.47Å; D533-Q537 PolarHBondContact O-N 2.78Å; D533-Q537 PolarHBondContact OD1-NE2 2.87Å; D533-Q537 PolarHBondContact OD2-NE2 2.98Å
534	L	98.6	Very high	97.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57.6	-41.7	177	179.1	55.8	0	0	0	112.8	F210 L215 K466 F471 Y530 R538	F210-L534 HydrophobicContact CB-CD1 4.49Å; F210-L534 HydrophobicContact CD1-CD1 3.88Å; F210-L534 HydrophobicContact CD2-CB 4.26Å; F210-L534 HydrophobicContact CD2-CD1 3.84Å; F210-L534 HydrophobicContact CE1-CB 4.36Å; F210-L534 HydrophobicContact CE1-CD1 4.02Å; F210-L534 HydrophobicContact CE1-CD2 4.46Å; F210-L534 VanDerWaalsContact CE2-CA 3.48Å; F210-L534 HydrophobicContact CE2-CB 3.6Å; F210-L534 HydrophobicContact CE2-CD1 3.99Å; F210-L534 HydrophobicContact CE2-CG 4.35Å; F210-L534 HydrophobicContact CG-CD1 3.8Å; F210-L534 HydrophobicContact CZ-CB 3.66Å; F210-L534 HydrophobicContact CZ-CD1 4.08Å; F210-L534 HydrophobicContact CZ-CD2 4.49Å; F210-L534 HydrophobicContact CZ-CG 4.28Å; L215-L534 HydrophobicContact CD2-CD1 4.08Å; K466-L534 HydrophobicContact CB-CD2 4.29Å; K466-L534 HydrophobicContact CG-CD2 4.09Å; F471-L534 HydrophobicContact CE1-CD2 3.83Å; F471-L534 HydrophobicContact CE1-CG 4.2Å; F471-L534 HydrophobicContact CZ-CB 4.28Å; F471-L534 HydrophobicContact CZ-CD2 4.09Å; F471-L534 HydrophobicContact CZ-CG 4.14Å; Y530-L534 HydrophobicContact CE1-CD2 4.3Å; Y530-L534 WeakPolarHBondContact O-CB 3.33Å; Y530-L534 PolarHBondContact O-N 2.68Å; L534-R538 HydrophobicContact CD1-CG 4.22Å; L534-R538 VanDerWaalsContact O-CB 3.27Å; L534-R538 WeakPolarHBondContact O-CB 3.35Å; L534-R538 WeakPolarHBondContact O-CG 3.48Å; L534-R538 PolarHBondContact O-N 2.93Å
535	F	98.3	Very high	96.8	Very high	1 Å²	1	30.6 Å²	30.6	0%	0.004	14%	0.144	C	C	.	.	H	α-helix	trans	-67	-44.4	179.9	177.9	-93.4	0	0	0	112.7	F471 L473 F476 K479 T480 L483 A531 D533 R538 Y539	F471-F535 HydrophobicContact CD2-CD2 4.43Å; F471-F535 HydrophobicContact CE2-CB 3.84Å; F471-F535 HydrophobicContact CE2-CD2 4.24Å; F471-F535 HydrophobicContact CE2-CG 4.47Å; F471-F535 HydrophobicContact CZ-CB 4.14Å; F471-F535 WeakPolarHBondContact O-CD2 3.38Å; L473-F535 HydrophobicContact CB-CE1 4.49Å; L473-F535 HydrophobicContact CD1-CB 3.76Å; L473-F535 HydrophobicContact CD1-CD1 3.49Å; L473-F535 VanDerWaalsContact CD1-CD1 3.49Å; L473-F535 HydrophobicContact CD1-CD2 4.35Å; L473-F535 HydrophobicContact CD1-CE1 4.12Å; L473-F535 HydrophobicContact CD1-CG 3.61Å; L473-F535 HydrophobicContact CG-CB 4.24Å; L473-F535 HydrophobicContact CG-CD1 3.98Å; L473-F535 HydrophobicContact CG-CD2 4.07Å; L473-F535 HydrophobicContact CG-CE1 4.32Å; L473-F535 HydrophobicContact CG-CE2 4.4Å; L473-F535 HydrophobicContact CG-CG 3.84Å; F476-F535 HydrophobicContact CB-CE1 3.81Å; F476-F535 HydrophobicContact CB-CZ 4.27Å; F476-F535 HydrophobicContact CD2-CD1 4.5Å; F476-F535 HydrophobicContact CD2-CE1 4.21Å; F476-F535 HydrophobicContact CG-CE1 4.24Å; K479-F535 HydrophobicContact CB-CE1 3.84Å; K479-F535 HydrophobicContact CB-CZ 3.88Å; T480-F535 WeakPolarHBondContact OG1-CZ 3.28Å; L483-F535 HydrophobicContact CD1-CD2 3.85Å; L483-F535 HydrophobicContact CD1-CE2 3.67Å; L483-F535 HydrophobicContact CD1-CG 4.41Å; L483-F535 HydrophobicContact CD1-CZ 4.11Å; A531-F535 WeakPolarHBondContact O-CB 3.21Å; A531-F535 PolarHBondContact O-N 2.85Å; D533-F535 VanDerWaalsContact C-N 3.32Å; D533-F535 PolarHBondContact O-N 2.91Å; F535-R538 PolarHBondContact O-N 2.93Å; F535-Y539 PolarHBondContact O-N 3.31Å
536	L	97.1	Very high	96.5	Very high	13 Å²	13	30.6 Å²	30.6	7%	0.068	14%	0.143	C	C	.	.	H	α-helix	trans	-72.5	-37.1	-179.4	-68.6	173.2	0	0	0	111.5	F204 F476 K479 K532 D533 Y539 Q540	F204-L536 HydrophobicContact CD1-CB 3.94Å; F204-L536 HydrophobicContact CD2-CB 3.99Å; F204-L536 HydrophobicContact CD2-CD1 3.48Å; F204-L536 VanDerWaalsContact CD2-CD1 3.48Å; F204-L536 HydrophobicContact CD2-CG 4.38Å; F204-L536 HydrophobicContact CE1-CB 3.7Å; F204-L536 HydrophobicContact CE2-CB 3.76Å; F204-L536 HydrophobicContact CE2-CD1 3.69Å; F204-L536 HydrophobicContact CE2-CG 4.35Å; F204-L536 HydrophobicContact CG-CB 4.06Å; F204-L536 HydrophobicContact CG-CD1 4.06Å; F204-L536 HydrophobicContact CZ-CB 3.59Å; F204-L536 HydrophobicContact CZ-CD1 4.4Å; F476-L536 HydrophobicContact CZ-CD1 4.43Å; F476-L536 HydrophobicContact CZ-CD2 4.45Å; K479-L536 HydrophobicContact CD-CD2 4Å; K532-L536 HydrophobicContact CG-CD1 4.02Å; K532-L536 WeakPolarHBondContact O-CB 3.28Å; K532-L536 WeakPolarHBondContact O-CG 3.49Å; K532-L536 PolarHBondContact O-N 3.2Å; D533-L536 PolarHBondContact O-N 3.48Å; L536-Y539 PolarHBondContact O-N 3.24Å; L536-Q540 WeakPolarHBondContact O-CG 3.33Å; L536-Q540 PolarHBondContact O-N 2.7Å
537	Q	97.1	Very high	96.1	Very high	18 Å²	18	30.2 Å²	30.2	8%	0.084	14%	0.141	C	C	.	.	H	α-helix	trans	-63.4	-42.8	169.6	-68.8	-174.3	44.9	0	0	112.1	F204 P206 Y208 L215 D533 Y539 Q540 F541	F204-Q537 HydrophobicContact CE1-CG 3.69Å; F204-Q537 HydrophobicContact CZ-CG 3.96Å; P206-Q537 HydrophobicContact CB-CG 4.42Å; P206-Q537 HydrophobicContact CG-CG 4.3Å; Y208-Q537 PolarHBondContact O-NE2 2.83Å; L215-Q537 HydrophobicContact CD1-CB 4.41Å; L215-Q537 HydrophobicContact CD2-CB 3.58Å; D533-Q537 WeakPolarHBondContact O-CB 3.35Å; D533-Q537 WeakPolarHBondContact O-CG 3.47Å; D533-Q537 PolarHBondContact O-N 2.78Å; D533-Q537 PolarHBondContact OD1-NE2 2.87Å; D533-Q537 PolarHBondContact OD2-NE2 2.98Å; Q537-Y539 VanDerWaalsContact C-N 3.32Å; Q537-Y539 PolarHBondContact O-N 2.87Å; Q537-Q540 PolarHBondContact O-N 3.45Å; Q537-F541 VanDerWaalsContact O-CB 3.23Å; Q537-F541 WeakPolarHBondContact O-CB 3.4Å; Q537-F541 PolarHBondContact O-N 3.41Å
538	R	97.7	Very high	95.8	Very high	11 Å²	11	36.3 Å²	36.3	4%	0.042	17%	0.17	C	C	.	.	H	α-helix	trans	-56.7	-45	173.1	-82.5	174.9	172.6	177.3	2.5	111.6	D214 L215 K466 F471 L483 L534 F535 M542	D214-R538 VanDerWaalsContact O-CZ 3.28Å; D214-R538 PolarHBondContact O-NE 2.95Å; D214-R538 PolarHBondContact O-NH2 3.44Å; L215-R538 HydrophobicContact CD2-CG 4.1Å; K466-R538 PolarHBondContact O-NH2 2.77Å; F471-R538 VanDerWaalsContact CE1-NH1 3.31Å; L483-R538 HydrophobicContact CD1-CB 4.11Å; L483-R538 HydrophobicContact CD2-CB 4.24Å; L534-R538 HydrophobicContact CD1-CG 4.22Å; L534-R538 VanDerWaalsContact O-CB 3.27Å; L534-R538 WeakPolarHBondContact O-CB 3.35Å; L534-R538 WeakPolarHBondContact O-CG 3.48Å; L534-R538 PolarHBondContact O-N 2.93Å; F535-R538 PolarHBondContact O-N 2.93Å; R538-M542 WeakPolarHBondContact O-CB 3.43Å; R538-M542 PolarHBondContact O-N 3.43Å; R538-M542 VanDerWaalsContact O-N 3.13Å
539	Y	96.3	Very high	95.5	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	18%	0.182	C	C	.	.	H	α-helix	trans	-60.9	-56.1	176.6	177.9	-95.5	0	0	0	111.2	E197 D198 K479 Y482 F535 L536 Q537 F541 M542 R543	E197-Y539 WeakPolarHBondContact CB-OH 3.25Å; D198-Y539 PolarHBondContact OD1-OH 3.01Å; K479-Y539 HydrophobicContact CB-CD2 3.74Å; K479-Y539 HydrophobicContact CB-CE2 4.06Å; K479-Y539 HydrophobicContact CB-CG 4.29Å; K479-Y539 HydrophobicContact CD-CD1 4.02Å; K479-Y539 HydrophobicContact CD-CD2 4.17Å; K479-Y539 HydrophobicContact CD-CE1 4.25Å; K479-Y539 HydrophobicContact CD-CE2 4.38Å; K479-Y539 HydrophobicContact CD-CG 4.01Å; K479-Y539 HydrophobicContact CG-CD1 4.47Å; K479-Y539 HydrophobicContact CG-CD2 3.84Å; K479-Y539 HydrophobicContact CG-CE1 4.45Å; K479-Y539 HydrophobicContact CG-CE2 3.8Å; K479-Y539 HydrophobicContact CG-CG 4.21Å; Y482-Y539 AromaticContact CD1-CD2 3.65Å; Y482-Y539 HydrophobicContact CD1-CD2 3.65Å; Y482-Y539 AromaticContact CD1-CE2 3.61Å; Y482-Y539 HydrophobicContact CD1-CE2 3.61Å; Y482-Y539 HydrophobicContact CE1-CD2 4.23Å; Y482-Y539 HydrophobicContact CE1-CE2 4.19Å; Y482-Y539 HydrophobicContact CG-CD2 4.39Å; Y482-Y539 AromaticContact CG-CE2 3.98Å; Y482-Y539 HydrophobicContact CG-CE2 3.98Å; F535-Y539 PolarHBondContact O-N 3.31Å; L536-Y539 PolarHBondContact O-N 3.24Å; Q537-Y539 VanDerWaalsContact C-N 3.32Å; Q537-Y539 PolarHBondContact O-N 2.87Å; Y539-F541 PolarHBondContact O-N 3.26Å; Y539-M542 PolarHBondContact O-N 3.36Å; Y539-R543 HydrophobicContact CD1-CG 4.16Å; Y539-R543 HydrophobicContact CD2-CG 4.38Å; Y539-R543 HydrophobicContact CE1-CG 3.69Å; Y539-R543 HydrophobicContact CE2-CG 3.94Å; Y539-R543 HydrophobicContact CG-CG 4.45Å; Y539-R543 VanDerWaalsContact O-CG 3.29Å; Y539-R543 WeakPolarHBondContact O-CG 3.47Å; Y539-R543 PolarHBondContact O-N 3.31Å; Y539-R543 WeakPolarHBondContact OH-CD 3.12Å; Y539-R543 PolarHBondContact OH-NE 3.2Å
540	Q	94.1	Very high	95.1	Very high	43 Å²	43	38.6 Å²	38.6	20%	0.201	18%	0.183	C	C	.	.	H	α-helix	trans	-57.5	-46.7	-179.6	-74.1	179	-23.1	0	0	112.3	S201 L536 Q537 M542 R543 Q544	S201-Q540 PolarHBondContact O-NE2 2.79Å; L536-Q540 WeakPolarHBondContact O-CG 3.33Å; L536-Q540 PolarHBondContact O-N 2.7Å; Q537-Q540 PolarHBondContact O-N 3.45Å; Q540-M542 PolarHBondContact O-N 3.03Å; Q540-R543 PolarHBondContact O-N 3.17Å; Q540-Q544 WeakPolarHBondContact O-CB 3.34Å; Q540-Q544 VanDerWaalsContact O-CG 3.28Å; Q540-Q544 WeakPolarHBondContact O-CG 3.49Å; Q540-Q544 PolarHBondContact O-N 3.04Å
541	F	95.1	Very high	94.8	Very high	40 Å²	40	46 Å²	46	18%	0.175	21%	0.211	C	C	.	.	H	α-helix	trans	-60.2	-44.2	179.6	-178.1	-93.6	0	0	0	112	R212 L215 L216 Q537 Y539 K545	R212-F541 HydrophobicContact CG-CE2 4.45Å; R212-F541 HydrophobicContact CG-CZ 3.92Å; L215-F541 HydrophobicContact CB-CB 4.24Å; L215-F541 HydrophobicContact CB-CD1 4.1Å; L215-F541 HydrophobicContact CB-CD2 4.49Å; L215-F541 HydrophobicContact CB-CG 4.02Å; L215-F541 HydrophobicContact CD1-CB 4.21Å; L215-F541 HydrophobicContact CD1-CD2 4.17Å; L215-F541 HydrophobicContact CD1-CG 4.26Å; L216-F541 HydrophobicContact CB-CE1 4.03Å; L216-F541 HydrophobicContact CD1-CE1 4.34Å; Q537-F541 VanDerWaalsContact O-CB 3.23Å; Q537-F541 WeakPolarHBondContact O-CB 3.4Å; Q537-F541 PolarHBondContact O-N 3.41Å; Y539-F541 PolarHBondContact O-N 3.26Å; F541-K545 WeakPolarHBondContact O-CB 3.25Å; F541-K545 PolarHBondContact O-N 3.39Å
542	M	94.3	Very high	94.6	Very high	18 Å²	18	52.9 Å²	52.9	9%	0.089	24%	0.237	C	C	.	.	H	α-helix	trans	-67.1	-41.8	178.6	-168.2	70.3	76.7	0	0	111.8	L216 Y482 L483 K486 R538 Y539 Q540 K545 E546	L216-M542 HydrophobicContact CD1-CE 4.25Å; Y482-M542 HydrophobicContact CE1-CB 4.01Å; Y482-M542 HydrophobicContact CE1-CG 3.83Å; L483-M542 HydrophobicContact CD2-CB 4.34Å; K486-M542 HydrophobicContact CB-CE 4.09Å; K486-M542 HydrophobicContact CB-CG 3.86Å; K486-M542 HydrophobicContact CB-SD 4.09Å; K486-M542 HydrophobicContact CG-CG 3.89Å; R538-M542 WeakPolarHBondContact O-CB 3.43Å; R538-M542 PolarHBondContact O-N 3.43Å; R538-M542 VanDerWaalsContact O-N 3.13Å; Y539-M542 PolarHBondContact O-N 3.36Å; Q540-M542 PolarHBondContact O-N 3.03Å; M542-K545 PolarHBondContact O-N 3.23Å; M542-E546 WeakPolarHBondContact O-CB 3.05Å; M542-E546 PolarHBondContact O-N 2.89Å
543	R	92.4	Very high	94.3	Very high	8 Å²	8	54.3 Å²	54.3	3%	0.03	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-46.3	174.8	-67.2	-68.7	-69	150.8	-5.6	112.2	D192 D198 Y482 Y539 Q540 K545 E546 H547	D192-R543 VanDerWaalsContact CG-NH2 3.29Å; D192-R543 IonicContact OD1-CZ 3.23Å; D192-R543 IonicContact OD1-NH1 3.49Å; D192-R543 IonicContact OD1-NH2 2.91Å; D192-R543 PolarHBondContact OD1-NH2 3.07Å; D192-R543 IonicContact OD2-CZ 3.72Å; D192-R543 VanDerWaalsContact OD2-CZ 3.24Å; D192-R543 IonicContact OD2-NH1 3.83Å; D192-R543 PolarHBondContact OD2-NH1 2.95Å; D192-R543 IonicContact OD2-NH2 3.88Å; D192-R543 PolarHBondContact OD2-NH2 3.2Å; D198-R543 IonicContact OD1-CZ 3.5Å; D198-R543 IonicContact OD1-NE 3.01Å; D198-R543 PolarHBondContact OD1-NE 3.31Å; D198-R543 IonicContact OD1-NH2 3.78Å; D198-R543 IonicContact OD2-CZ 3.85Å; D198-R543 IonicContact OD2-NE 3.24Å; D198-R543 PolarHBondContact OD2-NE 3.35Å; D198-R543 IonicContact OD2-NH2 3.66Å; D198-R543 PolarHBondContact OD2-NH2 3.19Å; Y482-R543 HydrophobicContact CE1-CG 3.99Å; Y482-R543 WeakPolarHBondContact OH-CD 3.35Å; Y539-R543 HydrophobicContact CD1-CG 4.16Å; Y539-R543 HydrophobicContact CD2-CG 4.38Å; Y539-R543 HydrophobicContact CE1-CG 3.69Å; Y539-R543 HydrophobicContact CE2-CG 3.94Å; Y539-R543 HydrophobicContact CG-CG 4.45Å; Y539-R543 VanDerWaalsContact O-CG 3.29Å; Y539-R543 WeakPolarHBondContact O-CG 3.47Å; Y539-R543 PolarHBondContact O-N 3.31Å; Y539-R543 WeakPolarHBondContact OH-CD 3.12Å; Y539-R543 PolarHBondContact OH-NE 3.2Å; Q540-R543 PolarHBondContact O-N 3.17Å; R543-K545 PolarHBondContact O-N 2.79Å; R543-E546 IonicContact NH1-OE2 2.72Å; R543-E546 PolarHBondContact NH1-OE2 3.27Å; R543-E546 PolarHBondContact O-N 3.32Å; R543-H547 PolarHBondContact O-CD2 3.21Å; R543-H547 VanDerWaalsContact O-CG 3.29Å; R543-H547 PolarHBondContact O-N 2.84Å
544	Q	92.2	Very high	94	Very high	109 Å²	109	60.8 Å²	60.8	51%	0.509	27%	0.267	S	S	.	.	H	α-helix	trans	-60	-45.6	176.5	-73.3	175.2	11.7	0	0	111.6	Q540 H547 Q548	Q540-Q544 WeakPolarHBondContact O-CB 3.34Å; Q540-Q544 VanDerWaalsContact O-CG 3.28Å; Q540-Q544 WeakPolarHBondContact O-CG 3.49Å; Q540-Q544 PolarHBondContact O-N 3.04Å; Q544-H547 PolarHBondContact O-N 2.97Å; Q544-Q548 VanDerWaalsContact O-CG 3.3Å; Q544-Q548 WeakPolarHBondContact O-CG 3.35Å; Q544-Q548 PolarHBondContact O-N 3.36Å
545	K	92.8	Very high	93.7	Very high	62 Å²	62	66.5 Å²	66.5	27%	0.27	29%	0.293	S	S	.	.	H	α-helix	trans	-60.5	-47.4	176.2	-178.2	-177.8	168.7	-172.7	0	111.8	F541 M542 R543 H547 Q548 E549	F541-K545 WeakPolarHBondContact O-CB 3.25Å; F541-K545 PolarHBondContact O-N 3.39Å; M542-K545 PolarHBondContact O-N 3.23Å; R543-K545 PolarHBondContact O-N 2.79Å; K545-H547 VanDerWaalsContact C-N 3.32Å; K545-H547 PolarHBondContact O-N 2.93Å; K545-Q548 PolarHBondContact O-N 3.34Å; K545-Q548 VanDerWaalsContact O-N 3.16Å; K545-E549 WeakPolarHBondContact CE-OE1 3.21Å; K545-E549 IonicContact NZ-OE1 3.01Å; K545-E549 PolarHBondContact O-N 3.34Å
546	E	91.5	Very high	93.4	Very high	59 Å²	59	70.8 Å²	70.8	28%	0.276	31%	0.314	S	S	.	.	H	α-helix	trans	-58.9	-41.8	176.6	177.4	166.9	-134	0	0	112	Y482 K486 M542 R543 A550	Y482-E546 VanDerWaalsContact CE2-OE2 3.26Å; Y482-E546 WeakPolarHBondContact CE2-OE2 3.35Å; Y482-E546 PolarHBondContact OH-OE2 3Å; K486-E546 VanDerWaalsContact CE-OE1 3.27Å; K486-E546 WeakPolarHBondContact CE-OE1 3.2Å; K486-E546 IonicContact NZ-OE1 3.81Å; K486-E546 PolarHBondContact NZ-OE1 3.42Å; K486-E546 IonicContact NZ-OE2 3.98Å; M542-E546 WeakPolarHBondContact O-CB 3.05Å; M542-E546 PolarHBondContact O-N 2.89Å; R543-E546 IonicContact NH1-OE2 2.72Å; R543-E546 PolarHBondContact NH1-OE2 3.27Å; R543-E546 PolarHBondContact O-N 3.32Å; E546-A550 VanDerWaalsContact O-CB 3.32Å; E546-A550 WeakPolarHBondContact O-CB 3.17Å; E546-A550 PolarHBondContact O-N 2.7Å
547	H	90.8	Very high	93.1	Very high	75 Å²	75	75.9 Å²	75.9	35%	0.347	34%	0.337	S	S	.	.	H	α-helix	trans	-67.5	-36.9	174.6	-67.6	-18.1	0	0	0	113.3	D192 R543 Q544 K545 R551	D192-H547 IonicContact OD2-CE1 2.65Å; R543-H547 PolarHBondContact O-CD2 3.21Å; R543-H547 VanDerWaalsContact O-CG 3.29Å; R543-H547 PolarHBondContact O-N 2.84Å; Q544-H547 PolarHBondContact O-N 2.97Å; K545-H547 VanDerWaalsContact C-N 3.32Å; K545-H547 PolarHBondContact O-N 2.93Å; H547-R551 WeakPolarHBondContact O-CB 3.45Å; H547-R551 VanDerWaalsContact O-CG 3.25Å; H547-R551 WeakPolarHBondContact O-CG 3.42Å; H547-R551 PolarHBondContact O-N 3.3Å
548	Q	92.4	Very high	92.8	Very high	129 Å²	129	84.6 Å²	84.6	60%	0.603	37%	0.369	S	S	*	.	H	α-helix	trans	-65	-46	174.2	-72.8	170.4	7.2	0	0	111.4	Q544 K545 A550 R551 R552	Q544-Q548 VanDerWaalsContact O-CG 3.3Å; Q544-Q548 WeakPolarHBondContact O-CG 3.35Å; Q544-Q548 PolarHBondContact O-N 3.36Å; K545-Q548 PolarHBondContact O-N 3.34Å; K545-Q548 VanDerWaalsContact O-N 3.16Å; Q548-A550 PolarHBondContact O-N 3.26Å; Q548-R551 PolarHBondContact O-N 3.03Å; Q548-R552 PolarHBondContact O-N 3.15Å
549	E	92.5	Very high	92.5	Very high	73 Å²	73	91.8 Å²	91.8	34%	0.341	40%	0.401	S	S	.	.	H	α-helix	trans	-62.5	-41.6	175.7	-72	-179.1	-161.1	0	0	112.2	K545 R552 K553	K545-E549 WeakPolarHBondContact CE-OE1 3.21Å; K545-E549 IonicContact NZ-OE1 3.01Å; K545-E549 PolarHBondContact O-N 3.34Å; E549-R552 PolarHBondContact O-N 3.48Å; E549-K553 WeakPolarHBondContact O-CG 3.32Å; E549-K553 PolarHBondContact O-N 2.9Å
550	A	90.9	Very high	92.2	Very high	38 Å²	38	98.5 Å²	98.5	31%	0.314	43%	0.43	S	S	.	.	H	α-helix	trans	-64.7	-37.7	175.2	0	0	0	0	0	112.5	E546 Q548 R554	E546-A550 VanDerWaalsContact O-CB 3.32Å; E546-A550 WeakPolarHBondContact O-CB 3.17Å; E546-A550 PolarHBondContact O-N 2.7Å; Q548-A550 PolarHBondContact O-N 3.26Å; A550-R554 VanDerWaalsContact O-CG 3.27Å; A550-R554 WeakPolarHBondContact O-CG 3.4Å; A550-R554 PolarHBondContact O-N 3.35Å; A550-R554 VanDerWaalsContact O-N 3.17Å
551	R	92.2	Very high	91.9	Very high	180 Å²	180	102 Å²	102	68%	0.679	45%	0.449	S	S	*	.	H	α-helix	trans	-63.6	-45.3	171.9	-75.2	171.7	-177.4	-157.4	1.9	111	H547 Q548 R554 Q555	H547-R551 WeakPolarHBondContact O-CB 3.45Å; H547-R551 VanDerWaalsContact O-CG 3.25Å; H547-R551 WeakPolarHBondContact O-CG 3.42Å; H547-R551 PolarHBondContact O-N 3.3Å; Q548-R551 PolarHBondContact O-N 3.03Å; R551-R554 PolarHBondContact O-N 2.79Å; R551-Q555 WeakPolarHBondContact O-CG 3.48Å; R551-Q555 PolarHBondContact O-N 3.45Å
552	R	93.6	Very high	91.5	Very high	144 Å²	144	106.8 Å²	106.8	54%	0.543	47%	0.471	S	S	.	.	H	α-helix	trans	-61.3	-49.7	179	-157.3	-178	76.9	-156.8	-0.2	111.7	Q548 E549 R554 Q555 E556	Q548-R552 PolarHBondContact O-N 3.15Å; E549-R552 PolarHBondContact O-N 3.48Å; R552-R554 VanDerWaalsContact C-N 3.3Å; R552-R554 PolarHBondContact O-N 3.38Å; R552-Q555 WeakPolarHBondContact O-CA 3.42Å; R552-Q555 WeakPolarHBondContact O-CB 3.16Å; R552-Q555 PolarHBondContact O-N 2.04Å; R552-E556 WeakPolarHBondContact CG-OE1 3.21Å; R552-E556 IonicContact CZ-OE1 3.99Å; R552-E556 IonicContact NE-OE1 2.72Å; R552-E556 PolarHBondContact NE-OE1 3.04Å; R552-E556 WeakPolarHBondContact O-CG 3.47Å; R552-E556 PolarHBondContact O-N 3.09Å
553	K	93	Very high	90.9	Very high	113 Å²	113	107.8 Å²	107.8	49%	0.491	49%	0.485	S	S	.	.	H	α-helix	trans	-56.7	-40.5	176.2	-72.5	171.1	-179.6	170.3	0	112.6	E549 E556 Q557	E549-K553 WeakPolarHBondContact O-CG 3.32Å; E549-K553 PolarHBondContact O-N 2.9Å; K553-E556 WeakPolarHBondContact CA-OE2 3.1Å; K553-E556 PolarHBondContact O-N 3.27Å; K553-Q557 WeakPolarHBondContact O-CB 3.33Å; K553-Q557 VanDerWaalsContact O-CG 3.27Å; K553-Q557 WeakPolarHBondContact O-CG 3.32Å; K553-Q557 PolarHBondContact O-N 3Å
554	R	91.6	Very high	90.3	Very high	142 Å²	142	115.1 Å²	115.1	54%	0.536	51%	0.513	S	S	.	.	H	α-helix	trans	-67.3	-35	174.7	-71.7	172.6	-174.8	-172.8	3.6	113.1	A550 R551 R552 R558	A550-R554 VanDerWaalsContact O-CG 3.27Å; A550-R554 WeakPolarHBondContact O-CG 3.4Å; A550-R554 PolarHBondContact O-N 3.35Å; A550-R554 VanDerWaalsContact O-N 3.17Å; R551-R554 PolarHBondContact O-N 2.79Å; R552-R554 VanDerWaalsContact C-N 3.3Å; R552-R554 PolarHBondContact O-N 3.38Å; R554-R558 WeakPolarHBondContact O-CB 3.3Å; R554-R558 VanDerWaalsContact O-CG 3.29Å; R554-R558 WeakPolarHBondContact O-CG 3.45Å; R554-R558 PolarHBondContact O-N 3.22Å
555	Q	92.6	Very high	89.5	Confident	119 Å²	119	115.8 Å²	115.8	56%	0.556	52%	0.519	S	S	*	.	H	α-helix	trans	-70.3	-41.9	174.3	-71.2	174.9	-9.1	0	0	111.8	R551 R552 R558 K559	R551-Q555 WeakPolarHBondContact O-CG 3.48Å; R551-Q555 PolarHBondContact O-N 3.45Å; R552-Q555 WeakPolarHBondContact O-CA 3.42Å; R552-Q555 WeakPolarHBondContact O-CB 3.16Å; R552-Q555 PolarHBondContact O-N 2.04Å; Q555-R558 PolarHBondContact O-N 2.86Å; Q555-K559 WeakPolarHBondContact O-CG 3.31Å; Q555-K559 PolarHBondContact O-N 3.35Å
556	E	92.3	Very high	88.6	Confident	91 Å²	91	117.3 Å²	117.3	43%	0.425	53%	0.53	S	S	.	.	H	α-helix	trans	-59.9	-47.7	174.6	-69.5	159.3	175.9	0	0	110.7	R552 K553 R558 K559 F560	R552-E556 WeakPolarHBondContact CG-OE1 3.21Å; R552-E556 IonicContact CZ-OE1 3.99Å; R552-E556 IonicContact NE-OE1 2.72Å; R552-E556 PolarHBondContact NE-OE1 3.04Å; R552-E556 WeakPolarHBondContact O-CG 3.47Å; R552-E556 PolarHBondContact O-N 3.09Å; K553-E556 WeakPolarHBondContact CA-OE2 3.1Å; K553-E556 PolarHBondContact O-N 3.27Å; E556-R558 PolarHBondContact O-N 3.19Å; E556-K559 PolarHBondContact O-N 3.34Å; E556-F560 PolarHBondContact O-N 2.84Å
557	Q	90.1	Very high	87.5	Confident	121 Å²	121	120.6 Å²	120.6	57%	0.565	55%	0.545	S	S	*	.	H	α-helix	trans	-59.1	-45.5	173.2	-74.7	171.3	-20.7	0	0	112.7	K553 K559 F560 L561	K553-Q557 WeakPolarHBondContact O-CB 3.33Å; K553-Q557 VanDerWaalsContact O-CG 3.27Å; K553-Q557 WeakPolarHBondContact O-CG 3.32Å; K553-Q557 PolarHBondContact O-N 3Å; Q557-K559 VanDerWaalsContact C-N 3.34Å; Q557-K559 PolarHBondContact O-N 3.41Å; Q557-F560 PolarHBondContact O-N 2.88Å; Q557-L561 WeakPolarHBondContact O-CD1 3.26Å; Q557-L561 PolarHBondContact O-N 3.03Å
558	R	90	Very high	86.3	Confident	201 Å²	201	120.3 Å²	120.3	76%	0.758	55%	0.549	S	S	*	.	H	α-helix	trans	-61.4	-39.7	176.3	-78.9	174.7	173	-164.1	-3.9	112.5	R554 Q555 E556 K562	R554-R558 WeakPolarHBondContact O-CB 3.3Å; R554-R558 VanDerWaalsContact O-CG 3.29Å; R554-R558 WeakPolarHBondContact O-CG 3.45Å; R554-R558 PolarHBondContact O-N 3.22Å; Q555-R558 PolarHBondContact O-N 2.86Å; E556-R558 PolarHBondContact O-N 3.19Å; R558-K562 WeakPolarHBondContact O-CB 3.33Å; R558-K562 PolarHBondContact O-N 3.08Å
559	K	91.2	Very high	84.8	Confident	161 Å²	161	119.2 Å²	119.2	70%	0.7	54%	0.543	S	S	*	.	H	α-helix	trans	-63.2	-45.2	173.9	-75.4	175.6	175.7	-176.7	0	111.3	Q555 E556 Q557 K562 G563	Q555-K559 WeakPolarHBondContact O-CG 3.31Å; Q555-K559 PolarHBondContact O-N 3.35Å; E556-K559 PolarHBondContact O-N 3.34Å; Q557-K559 VanDerWaalsContact C-N 3.34Å; Q557-K559 PolarHBondContact O-N 3.41Å; K559-K562 PolarHBondContact O-N 3.01Å; K559-G563 PolarHBondContact O-N 2.83Å
560	F	90.3	Very high	83.2	Confident	142 Å²	142	123.2 Å²	123.2	62%	0.623	56%	0.56	S	S	*	*	H	α-helix	trans	-61.6	-46.8	177	-178.5	-103	0	0	0	112.5	E556 Q557 K562 G563 R564	E556-F560 PolarHBondContact O-N 2.84Å; Q557-F560 PolarHBondContact O-N 2.88Å; F560-K562 PolarHBondContact O-N 3.33Å; F560-G563 PolarHBondContact O-N 3Å; F560-R564 PolarHBondContact O-N 2.87Å
561	L	87.4	Confident	81.6	Confident	116 Å²	116	127.8 Å²	127.8	61%	0.607	58%	0.575	S	S	*	*	H	α-helix	trans	-62.6	-42.5	176.4	-90.3	78.2	0	0	0	112.1	Q557 R564 L565	Q557-L561 WeakPolarHBondContact O-CD1 3.26Å; Q557-L561 PolarHBondContact O-N 3.03Å; L561-R564 PolarHBondContact O-N 3.39Å; L561-L565 WeakPolarHBondContact O-CB 3.34Å; L561-L565 PolarHBondContact O-N 2.78Å
562	K	86.5	Confident	79.8	Confident	142 Å²	142	122.6 Å²	122.6	62%	0.617	57%	0.566	S	S	*	*	H	α-helix	trans	-63.3	-41.5	176.5	-174	174.1	-179.7	179.5	0	111.7	R558 K559 F560 L565 L566	R558-K562 WeakPolarHBondContact O-CB 3.33Å; R558-K562 PolarHBondContact O-N 3.08Å; K559-K562 PolarHBondContact O-N 3.01Å; F560-K562 PolarHBondContact O-N 3.33Å; K562-L565 PolarHBondContact O-N 2.66Å; K562-L566 HydrophobicContact CG-CD1 4.19Å; K562-L566 WeakPolarHBondContact O-CG 3.48Å; K562-L566 PolarHBondContact O-N 3.43Å
563	G	82.1	Confident	77.9	Confident	38 Å²	38	121.9 Å²	121.9	39%	0.392	57%	0.569	S	S	.	*	H	α-helix	trans	-60	-47.3	174.4	0	0	0	0	0	112.3	K559 F560 L565 L566 Q567	K559-G563 PolarHBondContact O-N 2.83Å; F560-G563 PolarHBondContact O-N 3Å; G563-L565 PolarHBondContact O-N 3.26Å; G563-L566 PolarHBondContact O-N 3.23Å; G563-Q567 PolarHBondContact O-N 3.45Å
564	R	79.5	Confident	75.7	Confident	163 Å²	163	119.8 Å²	119.8	62%	0.615	58%	0.579	S	S	*	*	H	α-helix	trans	-65.6	-37.1	178.9	-154.8	176.3	87.1	165.4	7.3	112.7	F560 L561 Q567 T568	F560-R564 PolarHBondContact O-N 2.87Å; L561-R564 PolarHBondContact O-N 3.39Å; R564-Q567 PolarHBondContact O-N 3.04Å; R564-T568 PolarHBondContact O-N 3.49Å; R564-T568 PolarHBondContact O-OG1 3.2Å; R564-T568 VanDerWaalsContact O-OG1 3.13Å
565	L	76.9	Confident	73.6	Confident	122 Å²	122	121.5 Å²	121.5	64%	0.639	59%	0.593	S	S	*	*	H	α-helix	trans	-64.4	-44	176.5	-170.7	72.2	0	0	0	111.9	L561 K562 G563 Q567 T568 H569	L561-L565 WeakPolarHBondContact O-CB 3.34Å; L561-L565 PolarHBondContact O-N 2.78Å; K562-L565 PolarHBondContact O-N 2.66Å; G563-L565 PolarHBondContact O-N 3.26Å; L565-Q567 VanDerWaalsContact C-N 3.35Å; L565-T568 WeakPolarHBondContact CA-OG1 3.39Å; L565-T568 PolarHBondContact O-N 2.92Å; L565-T568 PolarHBondContact O-OG1 3.02Å; L565-H569 WeakPolarHBondContact O-CB 3.41Å; L565-H569 PolarHBondContact O-N 2.75Å
566	L	73	Confident	71.1	Confident	94 Å²	94	118.8 Å²	118.8	49%	0.492	60%	0.597	S	S	.	*	H	α-helix	trans	-61.5	-43.5	174.3	-72.4	165.9	0	0	0	111.2	K562 G563 T568 H569 F570	K562-L566 HydrophobicContact CG-CD1 4.19Å; K562-L566 WeakPolarHBondContact O-CG 3.48Å; K562-L566 PolarHBondContact O-N 3.43Å; G563-L566 PolarHBondContact O-N 3.23Å; L566-T568 PolarHBondContact O-N 3.34Å; L566-H569 PolarHBondContact O-N 2.62Å; L566-H569 VanDerWaalsContact O-N 3.15Å; L566-F570 PolarHBondContact O-N 3.37Å
567	Q	67.7	Low	68.8	Low	128 Å²	128	123.6 Å²	123.6	60%	0.598	62%	0.62	S	S	*	*	H	α-helix	trans	-61.8	-42.2	177.7	-168	173.6	18	0	0	112.4	G563 R564 L565 H569 F570 Q571	G563-Q567 PolarHBondContact O-N 3.45Å; R564-Q567 PolarHBondContact O-N 3.04Å; L565-Q567 VanDerWaalsContact C-N 3.35Å; Q567-H569 VanDerWaalsContact C-N 3.33Å; Q567-H569 PolarHBondContact O-N 2.71Å; Q567-F570 PolarHBondContact O-N 2.86Å; Q567-Q571 PolarHBondContact O-N 3.37Å; Q567-Q571 VanDerWaalsContact O-N 3.11Å
568	T	67.3	Low	66.3	Low	70 Å²	70	123.3 Å²	123.3	43%	0.429	63%	0.631	S	S	.	*	H	α-helix	trans	-66.1	-33.1	174.1	45.6	0	0	0	0	113	R564 L565 L566 Q571 S572	R564-T568 PolarHBondContact O-N 3.49Å; R564-T568 PolarHBondContact O-OG1 3.2Å; R564-T568 VanDerWaalsContact O-OG1 3.13Å; L565-T568 WeakPolarHBondContact CA-OG1 3.39Å; L565-T568 PolarHBondContact O-N 2.92Å; L565-T568 PolarHBondContact O-OG1 3.02Å; L566-T568 PolarHBondContact O-N 3.34Å; T568-Q571 PolarHBondContact O-N 3.13Å; T568-S572 PolarHBondContact O-N 2.88Å; T568-S572 PolarHBondContact O-OG 3.06Å
569	H	60.7	Low	63.7	Low	105 Å²	105	123.3 Å²	123.3	49%	0.486	64%	0.64	S	S	.	*	H	α-helix	trans	-72.9	-32.3	178.8	-161.1	-53.6	0	0	0	112.7	L565 L566 Q567 S572 Q573	L565-H569 WeakPolarHBondContact O-CB 3.41Å; L565-H569 PolarHBondContact O-N 2.75Å; L566-H569 PolarHBondContact O-N 2.62Å; L566-H569 VanDerWaalsContact O-N 3.15Å; Q567-H569 VanDerWaalsContact C-N 3.33Å; Q567-H569 PolarHBondContact O-N 2.71Å; H569-S572 PolarHBondContact O-OG 3.08Å; H569-S572 VanDerWaalsContact O-OG 3.12Å; H569-Q573 PolarHBondContact O-N 2.81Å
570	F	58.2	Low	60.8	Low	157 Å²	157	123.1 Å²	123.1	69%	0.689	65%	0.646	S	S	*	*	H	α-helix	trans	-68.2	-39.8	169	-94	-89.4	0	0	0	111.6	L566 Q567 Q573 G574	L566-F570 PolarHBondContact O-N 3.37Å; Q567-F570 PolarHBondContact O-N 2.86Å; F570-Q573 PolarHBondContact O-N 2.58Å; F570-G574 PolarHBondContact O-N 2.91Å; F570-G574 VanDerWaalsContact O-N 3.1Å
571	Q	57.3	Low	58.5	Low	134 Å²	134	121.7 Å²	121.7	63%	0.626	65%	0.651	S	S	*	*	H	α-helix	trans	-66.8	-38	176.4	-75.3	-175.1	-47	0	0	113.2	Q567 T568 G574	Q567-Q571 PolarHBondContact O-N 3.37Å; Q567-Q571 VanDerWaalsContact O-N 3.11Å; T568-Q571 PolarHBondContact O-N 3.13Å; Q571-G574 PolarHBondContact O-N 2.98Å
572	S	54.8	Low	55.9	Low	72 Å²	72	123.7 Å²	123.7	50%	0.503	66%	0.663	S	S	.	*	H	α-helix	trans	-70	-32.7	177.1	61.3	0	0	0	0	113.1	T568 H569 G574	T568-S572 PolarHBondContact O-N 2.88Å; T568-S572 PolarHBondContact O-OG 3.06Å; H569-S572 PolarHBondContact O-OG 3.08Å; H569-S572 VanDerWaalsContact O-OG 3.12Å; S572-G574 VanDerWaalsContact C-N 3.34Å
573	Q	53.3	Low	53.2	Low	129 Å²	129	125.6 Å²	125.6	60%	0.603	67%	0.674	S	S	*	*	H	α-helix	trans	-71	-29.5	172	-74.1	179.3	-42.6	0	0	112.3	H569 F570 Q575 G576	H569-Q573 PolarHBondContact O-N 2.81Å; F570-Q573 PolarHBondContact O-N 2.58Å; Q573-Q575 PolarHBondContact O-N 3.41Å; Q573-G576 PolarHBondContact O-N 3.26Å; Q573-G576 VanDerWaalsContact O-N 3.16Å
574	G	47.6	Very low	50.8	Low	68 Å²	68	131 Å²	131	70%	0.701	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-8.2	175.7	0	0	0	0	0	116.1	F570 Q571 S572	F570-G574 PolarHBondContact O-N 2.91Å; F570-G574 VanDerWaalsContact O-N 3.1Å; Q571-G574 PolarHBondContact O-N 2.98Å; S572-G574 VanDerWaalsContact C-N 3.34Å
575	Q	45.8	Very low	48.4	Very low	179 Å²	179	131.8 Å²	131.8	84%	0.836	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.6	6.2	174	-67.3	-171.7	-48	0	0	113.4	Q573	Q573-Q575 PolarHBondContact O-N 3.41Å
576	G	41.7	Very low	46.3	Very low	62 Å²	62	130.2 Å²	130.2	64%	0.639	70%	0.703	S	S	*	*	S	Bend	trans	-85	-4.9	-174.4	0	0	0	0	0	116.6	Q573	Q573-G576 PolarHBondContact O-N 3.26Å; Q573-G576 VanDerWaalsContact O-N 3.16Å
577	Q	42.8	Very low	44.3	Very low	191 Å²	191	134.5 Å²	134.5	89%	0.893	72%	0.721	S	S	*	*	S	Bend	trans	-139.7	83.8	-175.5	-74.6	-172.5	-27.2	0	0	113
578	S	39	Very low	42.8	Very low	115 Å²	115	136.2 Å²	136.2	80%	0.804	73%	0.734	S	S	*	*			trans	-170.6	100.8	138.8	-171.6	0	0	0	0	110.4
579	Q	34.8	Very low	41.5	Very low	202 Å²	202	138.8 Å²	138.8	94%	0.944	75%	0.752	S	S	*	*			trans	-137.6	105.2	155.9	-76.9	-165.3	-4.3	0	0	108.3
580	N	30.7	Very low	40.1	Very low	156 Å²	156	141 Å²	141	83%	0.834	77%	0.768	S	S	*	*			trans	-142.2	119.3	162.8	-145.6	4.1	0	0	0	106.3	N582	N580-N582 PolarHBondContact O-N 3.43Å
581	P	42.5	Very low	39.2	Very low	112 Å²	112	139.2 Å²	139.2	73%	0.727	77%	0.771	S	S	*	*			trans	-89.6	114.8	-162.8	32	-33.3	0	0	0	112.5
582	N	31.1	Very low	38.3	Very low	158 Å²	158	140 Å²	140	85%	0.845	78%	0.78	S	S	*	*			trans	-169.2	159.9	140.9	-112.8	-44.6	0	0	0	115.4	N580	N580-N582 PolarHBondContact O-N 3.43Å
583	Q	31.3	Very low	37.3	Very low	183 Å²	183	141 Å²	141	86%	0.855	79%	0.793	S	S	*	*			trans	69.9	124.9	165.7	-67.5	179.2	1.5	0	0	120
584	N	30.8	Very low	36.7	Very low	151 Å²	151	141.6 Å²	141.6	81%	0.807	80%	0.8	S	S	*	*			trans	-46	161.5	161.2	-55.5	-43.3	0	0	0	112
585	Q	29.1	Very low	36.3	Very low	180 Å²	180	145.7 Å²	145.7	84%	0.841	80%	0.801	S	S	*	*			cis	-174.7	159.7	45.8	-152.1	171.2	47.3	0	0	112
586	S	32.5	Very low	35.8	Very low	88 Å²	88	142.8 Å²	142.8	62%	0.615	79%	0.791	S	S	*	*			trans	75.5	128.4	147.3	-152	0	0	0	0	122.8
587	Q	32.1	Very low	35.7	Very low	185 Å²	185	146.4 Å²	146.4	86%	0.864	80%	0.795	S	S	*	*			trans	80.1	151.2	148.4	-75.4	168.6	41.1	0	0	122.9
588	N	35.3	Very low	35.7	Very low	164 Å²	164	142.1 Å²	142.1	88%	0.877	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-93.9	147.8	-167.2	-71.6	-34.5	0	0	0	114.1
589	P	39.5	Very low	35.8	Very low	123 Å²	123	143.6 Å²	143.6	80%	0.799	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-96.8	151.2	158.6	35.7	-30.5	0	0	0	113.2
590	N	33.1	Very low	35.8	Very low	153 Å²	153	138.5 Å²	138.5	82%	0.818	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-99.6	129.2	-176.1	-169.7	6.9	0	0	0	111.5	N592	N590-N592 PolarHBondContact O-N 3.45Å
591	P	38.7	Very low	36.3	Very low	118 Å²	118	136.6 Å²	136.6	77%	0.766	75%	0.745	S	S	*	*			trans	-88.5	85.7	-168.9	34.1	-36.8	0	0	0	114.1
592	N	37.8	Very low	36.3	Very low	150 Å²	150	137.4 Å²	137.4	80%	0.802	74%	0.741	S	S	*	*			trans	-152.9	81.8	169.9	-122.3	-20.8	0	0	0	114.7	N590	N590-N592 PolarHBondContact O-N 3.45Å
593	A	34.6	Very low	36.7	Very low	94 Å²	94	136.2 Å²	136.2	78%	0.777	73%	0.73	S	S	*	*			trans	-146.1	-13.4	175.8	0	0	0	0	0	115.9
594	N	39.8	Very low	36.7	Very low	142 Å²	142	132.4 Å²	132.4	76%	0.759	72%	0.715	S	S	*	*	S	Bend	trans	-106	13.1	-157.1	-128.4	-5.1	0	0	0	116.2
595	Q	39.9	Very low	37.1	Very low	153 Å²	153	130.3 Å²	130.3	72%	0.715	70%	0.704	S	S	*	*	S	Bend	trans	-100.1	-30.2	178.3	-67.7	-171.3	-5	0	0	114	L597	Q595-L597 PolarHBondContact O-N 3.05Å
596	N	35.8	Very low	37.7	Very low	119 Å²	119	126 Å²	126	64%	0.636	69%	0.69	S	S	*	*	H	α-helix	trans	-77.5	-18.9	-170.9	-69.4	-2.8	0	0	0	114.6	N600	N596-N600 PolarHBondContact O-ND2 3.33Å
597	L	38.8	Very low	37.9	Very low	137 Å²	137	128 Å²	128	72%	0.717	69%	0.689	S	S	*	*	H	α-helix	trans	-74.7	-35.4	-178.7	-157.7	71.2	0	0	0	112.2	Q595	Q595-L597 PolarHBondContact O-N 3.05Å
598	T	42.5	Very low	37.9	Very low	101 Å²	101	122.7 Å²	122.7	62%	0.62	67%	0.673	S	S	*	*	H	α-helix	trans	-74.9	-33.9	-171.6	-33.9	0	0	0	0	113
599	Q	41.3	Very low	38	Very low	146 Å²	146	118.2 Å²	118.2	68%	0.682	65%	0.654	S	S	*	*	H	α-helix	trans	-72.9	-42.9	178.3	-72.2	-174.9	-18.9	0	0	112.3	L601 M602 Q603	Q599-L601 VanDerWaalsContact C-N 3.27Å; Q599-L601 PolarHBondContact O-N 3.34Å; Q599-M602 PolarHBondContact O-N 3.37Å; Q599-Q603 PolarHBondContact O-N 3.49Å
600	N	35.1	Very low	37.8	Very low	95 Å²	95	121.5 Å²	121.5	51%	0.508	65%	0.651	S	S	.	*	H	α-helix	trans	-60.3	-34.2	178.9	-81.6	-69.9	0	0	0	113.1	N596 N604	N596-N600 PolarHBondContact O-ND2 3.33Å; N600-N604 PolarHBondContact O-N 3.23Å; N600-N604 PolarHBondContact O-ND2 3.38Å
601	L	42.1	Very low	37.8	Very low	116 Å²	116	121.4 Å²	121.4	61%	0.607	65%	0.645	S	S	*	*	H	α-helix	trans	-70.6	-33.3	179.9	-154.4	73.3	0	0	0	112.8	Q599 L605	Q599-L601 VanDerWaalsContact C-N 3.27Å; Q599-L601 PolarHBondContact O-N 3.34Å; L601-L605 WeakPolarHBondContact O-CG 3.41Å; L601-L605 PolarHBondContact O-N 3.04Å; L601-L605 VanDerWaalsContact O-N 3.14Å
602	M	40.7	Very low	37.7	Very low	130 Å²	130	122.6 Å²	122.6	64%	0.64	64%	0.638	S	S	*	*	H	α-helix	trans	-70.3	-34.7	178	-90.3	-71.6	167.5	0	0	113.2	Q599 T606	Q599-M602 PolarHBondContact O-N 3.37Å; M602-T606 PolarHBondContact O-N 2.83Å; M602-T606 PolarHBondContact O-OG1 2.96Å
603	Q	41.1	Very low	37.8	Very low	133 Å²	133	121.8 Å²	121.8	62%	0.621	63%	0.63	S	S	*	*	H	α-helix	trans	-70.6	-42.6	175.5	-70.5	-176.6	-18.9	0	0	111.8	Q599 L605 T606 Q607	Q599-Q603 PolarHBondContact O-N 3.49Å; Q603-L605 PolarHBondContact O-N 3.32Å; Q603-T606 PolarHBondContact O-N 2.9Å; Q603-T606 PolarHBondContact O-OG1 3.47Å; Q603-Q607 PolarHBondContact O-N 3.17Å; Q603-Q607 VanDerWaalsContact O-N 3.11Å
604	N	30.8	Very low	37.7	Very low	103 Å²	103	122.5 Å²	122.5	55%	0.551	62%	0.621	S	S	*	*	H	α-helix	trans	-62.1	-40	175.5	-89.1	-54.9	0	0	0	113	N600 T606 Q607 S608	N600-N604 PolarHBondContact O-N 3.23Å; N600-N604 PolarHBondContact O-ND2 3.38Å; N604-T606 VanDerWaalsContact C-N 3.34Å; N604-T606 PolarHBondContact O-N 3.27Å; N604-Q607 PolarHBondContact O-N 3.17Å; N604-S608 VanDerWaalsContact O-CB 3.3Å; N604-S608 WeakPolarHBondContact O-CB 3.39Å; N604-S608 PolarHBondContact O-N 3.43Å
605	L	38.6	Very low	37.2	Very low	107 Å²	107	124.9 Å²	124.9	56%	0.56	62%	0.619	S	S	*	*	H	α-helix	trans	-63.7	-36	176.9	-82.5	163.7	0	0	0	113.1	L601 Q603 S609	L601-L605 WeakPolarHBondContact O-CG 3.41Å; L601-L605 PolarHBondContact O-N 3.04Å; L601-L605 VanDerWaalsContact O-N 3.14Å; Q603-L605 PolarHBondContact O-N 3.32Å; L605-S609 PolarHBondContact O-N 2.97Å
606	T	41.4	Very low	37.3	Very low	89 Å²	89	124.2 Å²	124.2	55%	0.546	62%	0.616	S	S	.	*	H	α-helix	trans	-77.7	-32.3	179.2	40.6	0	0	0	0	113.3	M602 Q603 N604	M602-T606 PolarHBondContact O-N 2.83Å; M602-T606 PolarHBondContact O-OG1 2.96Å; Q603-T606 PolarHBondContact O-N 2.9Å; Q603-T606 PolarHBondContact O-OG1 3.47Å; N604-T606 VanDerWaalsContact C-N 3.34Å; N604-T606 PolarHBondContact O-N 3.27Å
607	Q	37.2	Very low	37.1	Very low	129 Å²	129	121.5 Å²	121.5	60%	0.603	61%	0.606	S	S	*	*	H	α-helix	trans	-69	-44	169.5	-76.6	-174.1	-20.7	0	0	112.4	Q603 N604 S609 R610 Q611	Q603-Q607 PolarHBondContact O-N 3.17Å; Q603-Q607 VanDerWaalsContact O-N 3.11Å; N604-Q607 PolarHBondContact O-N 3.17Å; Q607-S609 VanDerWaalsContact C-N 3.33Å; Q607-S609 PolarHBondContact O-N 3.36Å; Q607-R610 PolarHBondContact O-N 3.39Å; Q607-Q611 PolarHBondContact O-N 3.06Å
608	S	32.5	Very low	36.8	Very low	74 Å²	74	121.6 Å²	121.6	52%	0.517	61%	0.607	S	S	.	*	H	α-helix	trans	-58.1	-41.8	-179.6	-174.9	0	0	0	0	112.6	N604 K612	N604-S608 VanDerWaalsContact O-CB 3.3Å; N604-S608 WeakPolarHBondContact O-CB 3.39Å; N604-S608 PolarHBondContact O-N 3.43Å; S608-K612 PolarHBondContact O-N 3.44Å
609	S	36.5	Very low	36.3	Very low	70 Å²	70	124.8 Å²	124.8	49%	0.49	61%	0.612	S	S	.	*	H	α-helix	trans	-62.9	-43.9	176.8	-163.9	0	0	0	0	112.5	L605 Q607 K612 E613	L605-S609 PolarHBondContact O-N 2.97Å; Q607-S609 VanDerWaalsContact C-N 3.33Å; Q607-S609 PolarHBondContact O-N 3.36Å; S609-K612 PolarHBondContact O-N 3.43Å; S609-E613 PolarHBondContact O-N 3.24Å
610	R	36.1	Very low	36.3	Very low	193 Å²	193	125.9 Å²	125.9	73%	0.728	62%	0.617	S	S	*	*	H	α-helix	trans	-66.7	-39.5	180	-74	-178.7	170.4	-174.3	-2.7	112.8	Q607 K612 N614	Q607-R610 PolarHBondContact O-N 3.39Å; R610-K612 PolarHBondContact O-N 3.49Å; R610-N614 PolarHBondContact O-N 3.47Å
611	Q	32	Very low	36.3	Very low	150 Å²	150	128.5 Å²	128.5	70%	0.701	63%	0.631	S	S	*	*	H	α-helix	trans	-64.2	-29.4	173.9	-76.1	-172.3	-16.1	0	0	112.4	Q607 R615	Q607-Q611 PolarHBondContact O-N 3.06Å; Q611-R615 WeakPolarHBondContact O-CB 3.48Å; Q611-R615 PolarHBondContact O-N 3.02Å
612	K	37.8	Very low	35.5	Very low	143 Å²	143	128 Å²	128	62%	0.622	64%	0.637	S	S	*	*	H	α-helix	trans	-75.7	-42	-179.4	-155.7	170.5	-174.3	176.9	0	112.9	S608 S609 R610 R615 E616	S608-K612 PolarHBondContact O-N 3.44Å; S609-K612 PolarHBondContact O-N 3.43Å; R610-K612 PolarHBondContact O-N 3.49Å; K612-R615 PolarHBondContact O-N 3.26Å; K612-R615 VanDerWaalsContact O-N 3.14Å; K612-E616 PolarHBondContact O-N 3.04Å
613	E	39.9	Very low	34.8	Very low	133 Å²	133	125.4 Å²	125.4	62%	0.621	64%	0.644	S	S	*	*	H	α-helix	trans	-60.8	-44.3	172.7	-72.8	-179	116.6	0	0	111.6	S609 R615 E616 S617	S609-E613 PolarHBondContact O-N 3.24Å; E613-R615 PolarHBondContact O-N 3.29Å; E613-E616 PolarHBondContact O-N 3.35Å; E613-S617 PolarHBondContact O-N 3.28Å; E613-S617 VanDerWaalsContact O-N 3.14Å
614	N	31.5	Very low	34.2	Very low	110 Å²	110	129.1 Å²	129.1	59%	0.588	66%	0.658	S	S	*	*	H	α-helix	trans	-64.4	-21.4	175.6	-78	-4.8	0	0	0	114	R610 S617 L618	R610-N614 PolarHBondContact O-N 3.47Å; N614-S617 PolarHBondContact O-OG 3.11Å; N614-S617 VanDerWaalsContact O-OG 3.12Å; N614-L618 WeakPolarHBondContact O-CD1 3.49Å; N614-L618 PolarHBondContact O-N 3.36Å
615	R	30.7	Very low	34.2	Very low	192 Å²	192	133.3 Å²	133.3	73%	0.725	67%	0.674	S	S	*	*	H	α-helix	trans	-89.2	-17.9	177.5	-156.9	171.7	-170.8	-178	1.9	113.2	Q611 K612 E613	Q611-R615 WeakPolarHBondContact O-CB 3.48Å; Q611-R615 PolarHBondContact O-N 3.02Å; K612-R615 PolarHBondContact O-N 3.26Å; K612-R615 VanDerWaalsContact O-N 3.14Å; E613-R615 PolarHBondContact O-N 3.29Å
616	E	40	Very low	33.7	Very low	139 Å²	139	137.5 Å²	137.5	65%	0.65	69%	0.691	S	S	*	*	H	α-helix	trans	-82.6	-34.1	169.1	-71.2	-176	-176.9	0	0	111.5	K612 E613	K612-E616 PolarHBondContact O-N 3.04Å; E613-E616 PolarHBondContact O-N 3.35Å
617	S	33.6	Very low	33.1	Very low	62 Å²	62	141.6 Å²	141.6	43%	0.434	71%	0.71	S	S	.	*	H	α-helix	trans	-69.6	-44.7	175.6	61.7	0	0	0	0	113.6	E613 N614 K619 Q620	E613-S617 PolarHBondContact O-N 3.28Å; E613-S617 VanDerWaalsContact O-N 3.14Å; N614-S617 PolarHBondContact O-OG 3.11Å; N614-S617 VanDerWaalsContact O-OG 3.12Å; S617-K619 PolarHBondContact O-N 3.45Å; S617-Q620 PolarHBondContact O-N 3.16Å
618	L	30.6	Very low	32.5	Very low	138 Å²	138	139 Å²	139	72%	0.723	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-62.9	-23.9	177.4	-99.7	78.2	0	0	0	113.5	N614 Q620	N614-L618 WeakPolarHBondContact O-CD1 3.49Å; N614-L618 PolarHBondContact O-N 3.36Å; L618-Q620 VanDerWaalsContact C-N 3.25Å; L618-Q620 PolarHBondContact O-N 3.3Å
619	K	33.3	Very low	32.2	Very low	169 Å²	169	143.6 Å²	143.6	74%	0.735	74%	0.736	S	S	*	*	G	3₁₀ helix	trans	-77.4	0.3	-179	-88.2	-163	170.1	-161.5	0	115.3	S617	S617-K619 PolarHBondContact O-N 3.45Å
620	Q	40.1	Very low	31.7	Very low	168 Å²	168	147.1 Å²	147.1	79%	0.785	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-96.7	-4	176.8	-61.1	-158.8	-76.3	0	0	114.6	S617 L618	S617-Q620 PolarHBondContact O-N 3.16Å; L618-Q620 VanDerWaalsContact C-N 3.25Å; L618-Q620 PolarHBondContact O-N 3.3Å
621	N	35.7	Very low	31.3	Very low	151 Å²	151	143 Å²	143	81%	0.807	76%	0.756	S	S	*	*	S	Bend	trans	-117.1	64.3	-178.2	-78.7	-7	0	0	0	113.1
622	S	25.5	Very low	31.1	Very low	104 Å²	104	144.1 Å²	144.1	73%	0.727	77%	0.766	S	S	*	*			trans	-155.4	87.8	171	63.4	0	0	0	0	114.9
623	G	26.7	Very low	30.6	Very low	77 Å²	77	140.7 Å²	140.7	79%	0.794	77%	0.772	S	S	*	*			trans	66.7	174.7	165.6	0	0	0	0	0	116.6
624	K	27.8	Very low	30	Very low	211 Å²	211	141 Å²	141	92%	0.917	78%	0.783	S	S	*	*			cis	-163.7	155.6	-25	-133.6	-176.4	-179	-173.7	0	106.4
625	E	31.4	Very low	30.1	Very low	190 Å²	190	143.4 Å²	143.4	89%	0.888	80%	0.796	S	S	*	*			trans	-71.1	140.8	178.3	-62.6	164.9	115.8	0	0	112.1
626	Q	26.9	Very low	30.1	Very low	195 Å²	195	141.6 Å²	141.6	91%	0.911	80%	0.8	S	S	*	*			trans	-162.6	145.4	145.2	-113.2	168.1	13	0	0	111.2
627	N	28.4	Very low	29.6	Very low	176 Å²	176	145.3 Å²	145.3	94%	0.941	81%	0.81	S	S	*	*			trans	-84.2	150	178.9	-76.3	-35.2	0	0	0	111.6
628	G	24.9	Very low	29.7	Very low	73 Å²	73	151 Å²	151	75%	0.753	83%	0.834	S	S	*	*			trans	-169	103.9	170.9	0	0	0	0	0	112.1
629	N	26.4	Very low	29.8	Very low	171 Å²	171	147.7 Å²	147.7	91%	0.914	83%	0.833	S	S	*	*			trans	-79.9	122.7	170.5	-88.1	-13.7	0	0	0	110.1
630	T	26.4	Very low	29.8	Very low	144 Å²	144	144.7 Å²	144.7	88%	0.883	83%	0.833	S	S	*	*			trans	-150.8	126.5	147.9	-6.2	0	0	0	0	110.9
631	S	27.5	Very low	29.7	Very low	107 Å²	107	142.4 Å²	142.4	75%	0.748	83%	0.831	S	S	*	*			trans	-85.8	130	170.6	52.3	0	0	0	0	110.5
632	N	27.1	Very low	29.5	Very low	173 Å²	173	143.1 Å²	143.1	93%	0.925	83%	0.829	S	S	*	*			trans	-155.6	143.4	140.3	-103	-26.2	0	0	0	109.7
633	G	27.2	Very low	29.8	Very low	72 Å²	72	147.3 Å²	147.3	74%	0.742	83%	0.834	S	S	*	*			trans	-98.2	150.6	-167.1	0	0	0	0	0	114
634	T	29	Very low	30.2	Very low	140 Å²	140	156 Å²	156	86%	0.859	84%	0.843	S	S	*	*			trans	-130.6	90.4	158.2	54.7	0	0	0	0	108.8	D636	T634-D636 PolarHBondContact O-N 3.43Å
635	N	33.2	Very low	30.4	Very low	160 Å²	160	160.4 Å²	160.4	86%	0.856	85%	0.854	S	S	*	*			trans	-66	118.8	151.5	-87.9	-18.1	0	0	0	106.9
636	D	30.7	Very low	30.4	Very low	153 Å²	153	158.9 Å²	158.9	82%	0.818	85%	0.852	S	S	*	*			trans	169.7	106.4	145.2	-92.7	-18.1	0	0	0	110	T634	T634-D636 PolarHBondContact O-N 3.43Å
637	Y	29.8	Very low	30.5	Very low	217 Å²	217	157 Å²	157	85%	0.851	85%	0.849	S	S	*	*			trans	-172.4	36.6	138	-122.1	-81.6	0	0	0	114.3
638	I	35.3	Very low	30.7	Very low	183 Å²	183	155.9 Å²	155.9	94%	0.938	84%	0.844	S	S	*	*			trans	-113.5	82	170.8	-57.3	179.7	0	0	0	108
639	G	33.5	Very low	31	Very low	68 Å²	68	160.8 Å²	160.8	70%	0.701	85%	0.849	S	S	*	*			trans	178.1	51.2	-173.4	0	0	0	0	0	115.6
640	S	32.8	Very low	31.3	Very low	106 Å²	106	160.2 Å²	160.2	74%	0.741	85%	0.845	S	S	*	*			trans	-163.8	65	171.2	-82.6	0	0	0	0	112.8
641	V	37	Very low	31.6	Very low	120 Å²	120	161.3 Å²	161.3	73%	0.727	84%	0.843	S	S	*	*	S	Bend	trans	-124	-35.4	170.7	-178	0	0	0	0	111.6	K643	V641-K643 VanDerWaalsContact C-N 3.29Å; V641-K643 PolarHBondContact O-N 3.33Å; V641-K643 VanDerWaalsContact O-N 3.12Å
642	E	32.8	Very low	31.9	Very low	166 Å²	166	165.1 Å²	165.1	78%	0.776	85%	0.85	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	2.5	-176.8	-89.6	53.4	-132.2	0	0	117.5
643	K	32	Very low	32.3	Very low	192 Å²	192	164.5 Å²	164.5	84%	0.835	84%	0.844	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.5	27.5	-174.2	-148.5	173.8	-177.5	173.9	0	115.9	V641	V641-K643 VanDerWaalsContact C-N 3.29Å; V641-K643 PolarHBondContact O-N 3.33Å; V641-K643 VanDerWaalsContact O-N 3.12Å
644	W	34.8	Very low	32.7	Very low	259 Å²	259	172.3 Å²	172.3	98%	0.981	85%	0.852	S	S	*	*			trans	-143.8	63.3	168.5	-84.1	93.3	0	0	0	110.5
645	R	31.4	Very low	33	Very low	303 Å²	303	175.2 Å²	175.2	100%	1.143	85%	0.852	S	S	*	*			trans	-144.1	0	176.5	-157.2	178.2	-159.9	167.6	3.6	110.2

Retrieved 645 of 645 residues in 156.1 ms (Link to these results)

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