A0A096MMZ8_PAPAN 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 (A0A2K5KXF2), UniProt , Accession A0A096MMZ8, Species PAPAN (Papio anubis, Olive baboon), Gene HS6ST2, Length 645 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	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 237 ms (Link to these results)

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