A0A3Q0KUL5_SCHMA Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A3Q0KUL5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 589 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	27.6	Very low	28.3	Very low	239 Å²	239	167.2 Å²	167.2	100%	1.177	90%	0.901	S	S	*	*				0	132.3	0	-82.1	180	-176.2	0	0	108.1
2	V	28.5	Very low	28.6	Very low	139 Å²	139	159.3 Å²	159.3	84%	0.842	89%	0.888	S	S	*	*			trans	76.6	114	170.8	-164.4	0	0	0	0	118.2
3	F	31.1	Very low	28.4	Very low	207 Å²	207	162.2 Å²	162.2	91%	0.908	89%	0.891	S	S	*	*			trans	-41.4	163.4	162.7	-66.5	-101	0	0	0	114.5
4	G	29.6	Very low	28.8	Very low	68 Å²	68	159.8 Å²	159.8	70%	0.701	89%	0.891	S	S	*	*			cis	139.6	112.1	15.8	0	0	0	0	0	109.9
5	R	26.6	Very low	28.9	Very low	240 Å²	240	153.7 Å²	153.7	91%	0.906	88%	0.879	S	S	*	*			trans	47.3	130.5	157.2	-71.6	-174.5	174	-162.2	-1.9	122.1
6	H	31.1	Very low	28.7	Very low	197 Å²	197	159.3 Å²	159.3	91%	0.912	88%	0.884	S	S	*	*				-165.9	130.6	120.2	-102.9	63.9	0	0	0	112.8
7	G	27.2	Very low	28.9	Very low	73 Å²	73	160.9 Å²	160.9	75%	0.753	88%	0.883	S	S	*	*			trans	61.6	118.5	136.5	0	0	0	0	0	123.4
8	C	25	Very low	28.8	Very low	140 Å²	140	161.8 Å²	161.8	95%	0.946	89%	0.886	S	S	*	*			trans	-143.8	125.3	141	-96.3	0	0	0	0	110.4
9	E	27.7	Very low	29	Very low	199 Å²	199	166.1 Å²	166.1	93%	0.93	89%	0.887	S	S	*	*			trans	-90.6	168.3	171	-86.1	-178	142.8	0	0	112
10	M	26.2	Very low	29	Very low	180 Å²	180	165.7 Å²	165.7	89%	0.887	89%	0.885	S	S	*	*			trans	-71	154.8	-170.5	-60.2	-88.8	-75.8	0	0	116.4
11	V	31.1	Very low	29	Very low	157 Å²	157	166.1 Å²	166.1	95%	0.952	89%	0.886	S	S	*	*			trans	-150.4	137.6	152.7	-174.5	0	0	0	0	107.3
12	G	31.4	Very low	29.3	Very low	72 Å²	72	159.9 Å²	159.9	74%	0.742	86%	0.864	S	S	*	*			cis	179.2	165.2	4.7	0	0	0	0	0	111.8
13	E	25.9	Very low	29.3	Very low	198 Å²	198	160.5 Å²	160.5	93%	0.925	86%	0.862	S	S	*	*			trans	-77.8	156.2	177.7	-61.5	172.8	134.6	0	0	113.6
14	S	34.3	Very low	29.3	Very low	128 Å²	128	158.7 Å²	158.7	90%	0.895	86%	0.862	S	S	*	*			trans	-164.6	145.3	139.8	68.1	0	0	0	0	107.2
15	G	30	Very low	29.3	Very low	69 Å²	69	167.1 Å²	167.1	71%	0.711	87%	0.873	S	S	*	*			cis	160.3	111	5	0	0	0	0	0	105.3
16	Y	26	Very low	29.7	Very low	242 Å²	242	160.9 Å²	160.9	95%	0.949	87%	0.866	S	S	*	*			trans	-82.6	120.4	179.2	-86.8	-88.5	0	0	0	110.6
17	Q	31.6	Very low	29.6	Very low	188 Å²	188	160.8 Å²	160.8	88%	0.879	86%	0.863	S	S	*	*			trans	-116.8	124.9	164.2	-74.6	-168.6	0.8	0	0	110
18	L	28.2	Very low	30.1	Very low	177 Å²	177	168.1 Å²	168.1	93%	0.927	87%	0.868	S	S	*	*			trans	-100	118.1	165.9	-93.8	154.5	0	0	0	108.7
19	R	32.2	Very low	30.3	Very low	243 Å²	243	168.9 Å²	168.9	92%	0.917	86%	0.863	S	S	*	*			trans	-140.5	135.1	158.6	-100.7	-171.6	-180	-169.6	1.2	110.5
20	N	28	Very low	30.8	Very low	158 Å²	158	167.1 Å²	167.1	85%	0.845	86%	0.858	S	S	*	*			trans	-55.3	144.5	179.8	-63.2	-44.8	0	0	0	114.9
21	L	29.8	Very low	31	Very low	174 Å²	174	166.3 Å²	166.3	91%	0.911	85%	0.852	S	S	*	*			trans	-147.6	130.8	145.9	-85.7	171.1	0	0	0	108.9
22	P	32.8	Very low	31.1	Very low	108 Å²	108	165.3 Å²	165.3	70%	0.701	84%	0.84	S	S	*	*			trans	-104.3	161.9	167.2	36.2	-27.2	0	0	0	112.6
23	N	29.3	Very low	31.1	Very low	152 Å²	152	171.1 Å²	171.1	81%	0.813	85%	0.848	S	S	*	*			trans	76.6	109.5	166.6	-69.6	-19.3	0	0	0	118.7
24	N	32	Very low	31.4	Very low	170 Å²	170	166.5 Å²	166.5	91%	0.909	84%	0.836	S	S	*	*			trans	-134	122.6	133.8	-108.1	-22.1	0	0	0	111.1
25	R	29.2	Very low	31.4	Very low	244 Å²	244	168.5 Å²	168.5	92%	0.921	84%	0.837	S	S	*	*			trans	-68.9	136.5	168.2	-73.6	170.9	167.3	173.3	-4.6	108.7
26	S	34.4	Very low	31.6	Very low	109 Å²	109	169.5 Å²	169.5	76%	0.762	83%	0.833	S	S	*	*			trans	-132.5	114.3	153.7	-173.9	0	0	0	0	109
27	K	30.4	Very low	32	Very low	196 Å²	196	165.2 Å²	165.2	85%	0.852	83%	0.826	S	S	*	*			trans	-74.2	132.3	164.8	-71.9	175.1	171.5	-179.4	0	107.6
28	R	36.2	Very low	32.3	Very low	226 Å²	226	162 Å²	162	85%	0.853	82%	0.82	S	S	*	*			trans	-132.7	111.8	149.5	-80.2	-171	-176.6	168.4	1.3	108.6
29	N	29.6	Very low	32.5	Very low	157 Å²	157	159.9 Å²	159.9	84%	0.84	82%	0.818	S	S	*	*			trans	-75.3	129.4	155.5	-72	-16	0	0	0	107
30	I	37.9	Very low	32.5	Very low	161 Å²	161	151.2 Å²	151.2	83%	0.826	81%	0.805	S	S	*	*			trans	-135	123.5	148	-65.3	-176.8	0	0	0	106.1
31	E	31.5	Very low	33.1	Very low	163 Å²	163	152.4 Å²	152.4	76%	0.762	81%	0.805	S	S	*	*			trans	-87.1	145.1	176.7	-102.9	175.4	179.4	0	0	110.4
32	I	32.4	Very low	33.3	Very low	136 Å²	136	152.8 Å²	152.8	70%	0.697	80%	0.802	S	S	*	*			trans	71.3	108.8	144.1	-54	159.1	0	0	0	117.7
33	E	31.8	Very low	33.3	Very low	194 Å²	194	151.8 Å²	151.8	91%	0.907	80%	0.803	S	S	*	*				-144.7	125.1	114.2	-131.7	170.8	-164.4	0	0	109.7
34	C	31.5	Very low	33.8	Very low	102 Å²	102	154.2 Å²	154.2	69%	0.689	81%	0.806	S	S	*	*			trans	-84.9	139	173.3	-67.6	0	0	0	0	108.6
35	D	35	Very low	33.7	Very low	170 Å²	170	157.8 Å²	157.8	91%	0.909	81%	0.807	S	S	*	*			trans	-144.8	139.2	140.9	-106	-24.7	0	0	0	110.4
36	S	33.9	Very low	34.4	Very low	90 Å²	90	151.4 Å²	151.4	63%	0.629	80%	0.797	S	S	*	*			trans	-122.8	156.9	-168.9	14.3	0	0	0	0	109.9
37	N	35.1	Very low	34.4	Very low	151 Å²	151	157.4 Å²	157.4	81%	0.807	80%	0.803	S	S	*	*			trans	93.8	128.5	172.7	-53	-27.9	0	0	0	113.4
38	T	36.7	Very low	34.4	Very low	122 Å²	122	159.2 Å²	159.2	75%	0.748	80%	0.804	S	S	*	*			cis	-164.1	143.6	36.9	-40.4	0	0	0	0	111.3
39	C	33.6	Very low	34.3	Very low	131 Å²	131	153.5 Å²	153.5	89%	0.885	80%	0.799	S	S	*	*			trans	33.6	142.3	150.9	-66.2	0	0	0	0	121.3
40	G	31.5	Very low	34.5	Very low	61 Å²	61	152.5 Å²	152.5	63%	0.629	79%	0.794	S	S	*	*			cis	161.2	173.4	16.4	0	0	0	0	0	109.6
41	H	40.5	Very low	34.2	Very low	183 Å²	183	150.6 Å²	150.6	85%	0.847	80%	0.795	S	S	*	*			trans	87.1	90.3	-177.6	-56.3	-65.8	0	0	0	115.9
42	Q	35.1	Very low	34.3	Very low	182 Å²	182	148.6 Å²	148.6	85%	0.85	79%	0.794	S	S	*	*				74.4	110.3	79.6	-76.5	-165.2	9.3	0	0	115.9
43	A	32.6	Very low	34.3	Very low	87 Å²	87	147.2 Å²	147.2	72%	0.719	80%	0.796	S	S	*	*			trans	60.9	111	135.5	0	0	0	0	0	120
44	K	39.5	Very low	34.3	Very low	204 Å²	204	143.9 Å²	143.9	89%	0.887	80%	0.795	S	S	*	*				-178.9	115	104.3	-94.1	165.5	-175.6	179.1	0	111.3
45	R	30.2	Very low	34.3	Very low	244 Å²	244	147.3 Å²	147.3	92%	0.921	80%	0.8	S	S	*	*			trans	-69.4	147.9	151.1	-99.6	177.8	171.5	172.9	-0.6	107.8
46	P	42.4	Very low	34.1	Very low	110 Å²	110	148.1 Å²	148.1	71%	0.714	80%	0.795	S	S	*	*				-141.6	141.1	107.7	30.9	-13.9	0	0	0	114.9
47	R	34.5	Very low	34.1	Very low	235 Å²	235	151.1 Å²	151.1	89%	0.887	80%	0.799	S	S	*	*			trans	61.1	106.7	137.1	-63.5	-175.8	177.1	-171.9	-1.1	119.5
48	R	30.7	Very low	34.1	Very low	234 Å²	234	152.1 Å²	152.1	88%	0.883	81%	0.805	S	S	*	*			trans	-33.4	133.8	144.8	-70.5	173.8	168.8	179.1	-4.8	113.3
49	S	35.5	Very low	33.9	Very low	106 Å²	106	153.3 Å²	153.3	74%	0.741	81%	0.807	S	S	*	*			trans	-143.2	78.9	146.7	54	0	0	0	0	108
50	D	32.5	Very low	33.8	Very low	136 Å²	136	150.9 Å²	150.9	73%	0.727	80%	0.804	S	S	*	*			trans	-78.2	111.6	160.7	-69.4	-42.4	0	0	0	107.2
51	S	31.4	Very low	33.8	Very low	121 Å²	121	155.1 Å²	155.1	85%	0.846	81%	0.811	S	S	*	*			trans	-106.1	84	166	-54.6	0	0	0	0	107.5
52	T	33.7	Very low	33.5	Very low	121 Å²	121	152.7 Å²	152.7	74%	0.742	81%	0.813	S	S	*	*			trans	-106	135.6	169	42.4	0	0	0	0	110.2
53	S	32.3	Very low	33.6	Very low	107 Å²	107	150.2 Å²	150.2	75%	0.748	81%	0.81	S	S	*	*			trans	76.5	107.1	144.7	168.1	0	0	0	0	119
54	S	31.6	Very low	33.6	Very low	125 Å²	125	150.2 Å²	150.2	87%	0.874	81%	0.81	S	S	*	*			trans	-117.3	92.6	137.6	62.2	0	0	0	0	109.5
55	H	32	Very low	33.6	Very low	174 Å²	174	146.6 Å²	146.6	81%	0.806	81%	0.808	S	S	*	*			trans	-117.6	149.5	155.9	-100.8	-54.8	0	0	0	107.5
56	K	31.8	Very low	33.6	Very low	186 Å²	186	144.2 Å²	144.2	81%	0.809	80%	0.804	S	S	*	*			trans	89.1	131.4	-176.9	-60.7	178.4	176.8	-179.7	0	112.1
57	E	33.5	Very low	33.2	Very low	153 Å²	153	147 Å²	147	72%	0.715	81%	0.813	S	S	*	*			cis	-159.5	135.4	35.3	-115.3	140.2	-145.8	0	0	108.8
58	N	33.6	Very low	33	Very low	173 Å²	173	143.4 Å²	143.4	93%	0.925	81%	0.808	S	S	*	*			trans	-140.6	75.9	152.3	-111.1	-6.5	0	0	0	106.9
59	N	33.4	Very low	33.1	Very low	146 Å²	146	141.9 Å²	141.9	78%	0.781	81%	0.808	S	S	*	*			trans	-92.5	97.1	166.1	-87.6	-15.4	0	0	0	107.9
60	G	31.9	Very low	32.9	Very low	81 Å²	81	142.7 Å²	142.7	84%	0.835	81%	0.811	S	S	*	*			trans	-81.9	106.6	161.1	0	0	0	0	0	109.2	C62	G60-C62 PolarHBondContact O-N 3.47Å
61	I	31.4	Very low	33	Very low	150 Å²	150	141.9 Å²	141.9	77%	0.769	82%	0.816	S	S	*	*			trans	-71.3	116.7	170.4	-66.4	166	0	0	0	108
62	C	33.1	Very low	32.8	Very low	132 Å²	132	147.8 Å²	147.8	89%	0.892	82%	0.82	S	S	*	*			trans	-134	109.9	157.5	-98.4	0	0	0	0	108.7	G60	G60-C62 PolarHBondContact O-N 3.47Å
63	T	37.8	Very low	32.7	Very low	129 Å²	129	147.4 Å²	147.4	79%	0.791	82%	0.822	S	S	*	*			trans	-70.2	140.5	173.2	40.4	0	0	0	0	111.3
64	A	32.5	Very low	32.7	Very low	87 Å²	87	153.9 Å²	153.9	72%	0.719	83%	0.83	S	S	*	*			trans	-58.9	173.1	-178.3	0	0	0	0	0	115
65	P	39.1	Very low	32.5	Very low	129 Å²	129	155.5 Å²	155.5	84%	0.838	83%	0.827	S	S	*	*				-133.7	156.9	102	35.5	-23.9	0	0	0	115.4
66	K	31.3	Very low	32.7	Very low	194 Å²	194	152.2 Å²	152.2	84%	0.843	82%	0.821	S	S	*	*			trans	-59.7	140.8	-179	-61.4	165.4	175.4	173.7	0	112.3
67	N	34.6	Very low	32.8	Very low	167 Å²	167	149.1 Å²	149.1	89%	0.893	82%	0.82	S	S	*	*			trans	-154.8	150.8	139.2	-100.3	-20.2	0	0	0	111.3
68	M	30.1	Very low	32.5	Very low	160 Å²	160	150.3 Å²	150.3	79%	0.788	83%	0.83	S	S	*	*			trans	-76	150	-163.4	-61.6	169.6	59.6	0	0	113.1
69	F	31.3	Very low	32.4	Very low	203 Å²	203	153.2 Å²	153.2	89%	0.89	83%	0.829	S	S	*	*				-176.9	133.1	125	-96.1	-69.1	0	0	0	109.3
70	P	31.6	Very low	32	Very low	123 Å²	123	151.3 Å²	151.3	80%	0.799	83%	0.827	S	S	*	*			trans	-97.9	117.6	176.3	33.8	-24.4	0	0	0	110.4
71	S	34.4	Very low	31.9	Very low	119 Å²	119	155 Å²	155	83%	0.832	83%	0.826	S	S	*	*			trans	-115.2	107.5	164.2	59.5	0	0	0	0	110.3
72	R	27.1	Very low	31.7	Very low	244 Å²	244	155.3 Å²	155.3	92%	0.921	82%	0.823	S	S	*	*			trans	-56.1	127.7	163.5	-72.7	169.4	167	175.6	-3.8	109.9
73	S	32.3	Very low	31.4	Very low	113 Å²	113	154.8 Å²	154.8	79%	0.79	82%	0.819	S	S	*	*			trans	-137.7	123.3	143.1	66	0	0	0	0	108.9
74	R	31.8	Very low	30.9	Very low	243 Å²	243	157.1 Å²	157.1	92%	0.917	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-77	124	-178.2	-76.9	174.1	169.2	176	-4.6	108.8
75	I	28.5	Very low	30.6	Very low	159 Å²	159	158.8 Å²	158.8	82%	0.815	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-81.6	123.4	161.7	-59.9	168.6	0	0	0	107
76	P	35.9	Very low	29.8	Very low	105 Å²	105	158.3 Å²	158.3	68%	0.682	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-85.3	146.4	162	32.2	-26.4	0	0	0	109.9
77	P	33.1	Very low	29.6	Very low	122 Å²	122	155.8 Å²	155.8	79%	0.792	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-73.9	140.3	179.4	30.8	-31.6	0	0	0	110.9	R79	P77-R79 PolarHBondContact O-N 2.9Å
78	L	28.6	Very low	29.3	Very low	177 Å²	177	154.4 Å²	154.4	93%	0.927	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-54	127.4	176.5	-73.4	156	0	0	0	111.7
79	R	30.4	Very low	29	Very low	235 Å²	235	155.5 Å²	155.5	89%	0.887	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-74.4	133.8	163.2	-83.4	-177.1	173.6	177.7	-2.4	109.5	P77 I81	P77-R79 PolarHBondContact O-N 2.9Å; R79-I81 PolarHBondContact O-N 2.92Å
80	S	25.1	Very low	28.8	Very low	106 Å²	106	151 Å²	151	74%	0.741	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-58.5	126.5	167.1	58	0	0	0	0	110.5
81	I	29.2	Very low	28.5	Very low	159 Å²	159	150.6 Å²	150.6	82%	0.815	79%	0.793	S	S	*	*			trans	-114.9	118.5	165.1	-62.4	178.7	0	0	0	106.9	R79	R79-I81 PolarHBondContact O-N 2.92Å
82	H	28.6	Very low	28.2	Very low	155 Å²	155	152.7 Å²	152.7	72%	0.718	80%	0.795	S	S	*	*			trans	-59.1	157.3	172.1	-79.5	-85	0	0	0	111.9	M84	H82-M84 PolarHBondContact O-N 3.22Å; H82-M84 VanDerWaalsContact O-N 3.16Å
83	P	26.2	Very low	28.1	Very low	122 Å²	122	146.7 Å²	146.7	79%	0.792	79%	0.785	S	S	*	*			trans	-70.7	111.9	176.5	29.3	-30.8	0	0	0	109.5	N85	P83-N85 PolarHBondContact O-N 3.47Å
84	M	27.9	Very low	27.9	Very low	177 Å²	177	146.3 Å²	146.3	87%	0.872	78%	0.783	S	S	*	*			trans	-83.8	107.4	172.5	-78.2	-78.7	-84.7	0	0	109.3	H82	H82-M84 PolarHBondContact O-N 3.22Å; H82-M84 VanDerWaalsContact O-N 3.16Å
85	N	24.4	Very low	27.8	Very low	123 Å²	123	140.5 Å²	140.5	66%	0.658	77%	0.774	S	S	*	*			trans	-66.2	156.4	153.8	-78.1	-34.9	0	0	0	109.6	P83	P83-N85 PolarHBondContact O-N 3.47Å
86	T	24.1	Very low	27.7	Very low	118 Å²	118	140.5 Å²	140.5	72%	0.724	78%	0.775	S	S	*	*			trans	79.8	102.1	163.3	-2.2	0	0	0	0	116.7
87	I	27.4	Very low	27.5	Very low	142 Å²	142	141.6 Å²	141.6	73%	0.728	78%	0.78	S	S	*	*			trans	-136.8	121.9	140.2	-61.9	-174.3	0	0	0	108.6
88	N	27.5	Very low	27.2	Very low	137 Å²	137	146.9 Å²	146.9	73%	0.733	78%	0.784	S	S	*	*			trans	-68.5	159.1	179.3	-73.5	-22.5	0	0	0	113.5	S90	N88-S90 PolarHBondContact O-N 3.4Å
89	E	24.3	Very low	27.3	Very low	183 Å²	183	149.9 Å²	149.9	86%	0.855	78%	0.783	S	S	*	*			trans	-35.9	125.2	161.1	-64.5	173.5	146.3	0	0	113.2
90	S	26.1	Very low	27.3	Very low	108 Å²	108	146.8 Å²	146.8	76%	0.755	78%	0.783	S	S	*	*			trans	-100.7	88	159.6	57.7	0	0	0	0	108.8	N88 N92	N88-S90 PolarHBondContact O-N 3.4Å; S90-N92 PolarHBondContact O-N 3.18Å
91	T	26.1	Very low	27.5	Very low	115 Å²	115	151.5 Å²	151.5	71%	0.706	79%	0.79	S	S	*	*			trans	-63	114	154	35.2	0	0	0	0	108.5	V93	T91-V93 PolarHBondContact O-N 3.34Å
92	N	26.6	Very low	27.8	Very low	164 Å²	164	150.4 Å²	150.4	88%	0.877	79%	0.791	S	S	*	*			trans	-66	94.7	169.1	-85.5	-34.8	0	0	0	109.6	S90 S94	S90-N92 PolarHBondContact O-N 3.18Å; N92-S94 PolarHBondContact O-N 2.77Å
93	V	26.5	Very low	28	Very low	117 Å²	117	149.1 Å²	149.1	71%	0.709	80%	0.796	S	S	*	*			trans	-83.2	107.3	160.8	-179.8	0	0	0	0	107.2	T91 T95	T91-V93 PolarHBondContact O-N 3.34Å; V93-T95 PolarHBondContact O-N 3.47Å
94	S	28.3	Very low	28.4	Very low	105 Å²	105	146.9 Å²	146.9	73%	0.734	80%	0.795	S	S	*	*			trans	-58.2	102	168	163.8	0	0	0	0	109.8	N92 L96	N92-S94 PolarHBondContact O-N 2.77Å; S94-L96 PolarHBondContact O-N 3.28Å
95	T	29.6	Very low	28.6	Very low	121 Å²	121	145.5 Å²	145.5	74%	0.742	79%	0.791	S	S	*	*			trans	-72.5	110.3	165	23.4	0	0	0	0	109.5	V93 V97	V93-T95 PolarHBondContact O-N 3.47Å; T95-V97 PolarHBondContact O-N 2.94Å
96	L	25.7	Very low	28.9	Very low	159 Å²	159	147.1 Å²	147.1	83%	0.832	80%	0.799	S	S	*	*			trans	-55.7	104	164.6	-109.1	107.1	0	0	0	109.7	S94 R98	S94-L96 PolarHBondContact O-N 3.28Å; L96-R98 PolarHBondContact O-N 3.17Å
97	V	31.8	Very low	29.4	Very low	128 Å²	128	147 Å²	147	78%	0.776	80%	0.804	S	S	*	*			trans	-84.1	101.5	158.7	178.3	0	0	0	0	107.5	T95 R99	T95-V97 PolarHBondContact O-N 2.94Å; V97-R99 PolarHBondContact O-N 3.25Å
98	R	26.7	Very low	29.5	Very low	234 Å²	234	149 Å²	149	88%	0.883	81%	0.81	S	S	*	*			trans	-51.1	114.3	162.7	-83.8	175.4	168	169.4	-3.9	109.2	L96	L96-R98 PolarHBondContact O-N 3.17Å
99	R	30.2	Very low	29.7	Very low	239 Å²	239	148.8 Å²	148.8	90%	0.902	81%	0.814	S	S	*	*			trans	-105	133.7	155.3	-110.6	-175.2	-173.8	-164.4	2.7	109.7	V97	V97-R99 PolarHBondContact O-N 3.25Å
100	L	31	Very low	29.8	Very low	171 Å²	171	146.4 Å²	146.4	90%	0.895	81%	0.811	S	S	*	*			trans	-57.5	139.6	-172.5	-73.9	125.7	0	0	0	113.2
101	K	29.7	Very low	30.1	Very low	204 Å²	204	147.7 Å²	147.7	89%	0.887	82%	0.815	S	S	*	*			trans	-72.3	132.1	161	-78.3	176.8	170.7	-178.8	0	109.8
102	V	35.1	Very low	30	Very low	137 Å²	137	152.5 Å²	152.5	83%	0.83	82%	0.82	S	S	*	*			trans	-146.5	139.2	139.6	-178.3	0	0	0	0	108
103	P	33.7	Very low	30.2	Very low	128 Å²	128	153.4 Å²	153.4	83%	0.831	82%	0.824	S	S	*	*			trans	-100.7	162.5	-169	37.8	-29	0	0	0	114
104	G	33.8	Very low	30.3	Very low	75 Å²	75	153 Å²	153	77%	0.773	82%	0.822	S	S	*	*			trans	173.7	97.1	168.1	0	0	0	0	0	115.1
105	D	31.5	Very low	30.3	Very low	147 Å²	147	159.7 Å²	159.7	79%	0.786	83%	0.831	S	S	*	*			trans	42.4	120.3	143.7	-67.5	-18.2	0	0	0	125.1
106	L	30.9	Very low	30.4	Very low	158 Å²	158	159.7 Å²	159.7	83%	0.827	84%	0.836	S	S	*	*				46	109.7	124.3	-65.4	157.6	0	0	0	119.8
107	S	34.2	Very low	30.5	Very low	116 Å²	116	158.2 Å²	158.2	81%	0.811	84%	0.837	S	S	*	*				-169.5	137.5	110.3	58.3	0	0	0	0	111.4
108	E	29.6	Very low	30.6	Very low	183 Å²	183	158 Å²	158	86%	0.855	84%	0.842	S	S	*	*			trans	-72.2	136.7	175	-62.1	171.3	137.8	0	0	110.9
109	T	32.2	Very low	30.6	Very low	133 Å²	133	153.2 Å²	153.2	82%	0.816	84%	0.838	S	S	*	*			trans	-153.5	113.9	140.1	-36.5	0	0	0	0	110.7
110	T	25.5	Very low	30.7	Very low	132 Å²	132	150.9 Å²	150.9	81%	0.81	84%	0.835	S	S	*	*			trans	-77.8	128	173	-40.7	0	0	0	0	109.3
111	T	32.4	Very low	30.8	Very low	136 Å²	136	148.8 Å²	148.8	83%	0.834	83%	0.829	S	S	*	*			trans	-136.3	113.9	160.8	-0.2	0	0	0	0	111.2
112	R	25.6	Very low	30.9	Very low	215 Å²	215	144.6 Å²	144.6	81%	0.811	83%	0.825	S	S	*	*			trans	-63.8	144	168.4	-86.2	175.2	161.9	-168.1	-3.4	110.9
113	L	29.6	Very low	31.1	Very low	183 Å²	183	143.6 Å²	143.6	96%	0.958	82%	0.822	S	S	*	*			trans	-121.5	111.1	150.3	-90.3	162.8	0	0	0	108.8
114	T	30.3	Very low	31.1	Very low	108 Å²	108	144.7 Å²	144.7	66%	0.663	83%	0.826	S	S	*	*			trans	-106	138.5	173.5	43.1	0	0	0	0	110.3
115	R	26.5	Very low	30.9	Very low	247 Å²	247	146.5 Å²	146.5	93%	0.932	82%	0.822	S	S	*	*			trans	-52.3	150.4	171.1	-81.1	174	155.6	-176.3	-7.6	113.4
116	S	32.5	Very low	31	Very low	120 Å²	120	147 Å²	147	84%	0.839	82%	0.824	S	S	*	*			trans	-151.2	139.6	140.7	59	0	0	0	0	111.2
117	C	27.1	Very low	31.2	Very low	128 Å²	128	146.5 Å²	146.5	87%	0.865	82%	0.818	S	S	*	*			trans	-104.3	143.8	167.5	-67.8	0	0	0	0	108
118	S	33.8	Very low	31	Very low	125 Å²	125	149.8 Å²	149.8	87%	0.874	82%	0.817	S	S	*	*			trans	-160.6	137.6	145.8	-144.3	0	0	0	0	112.5
119	V	27.6	Very low	31.1	Very low	132 Å²	132	153.1 Å²	153.1	80%	0.8	82%	0.822	S	S	*	*			trans	-82.9	144.4	175	169.7	0	0	0	0	109.2
120	K	32.6	Very low	30.9	Very low	191 Å²	191	153.2 Å²	153.2	83%	0.83	82%	0.822	S	S	*	*			trans	-164.7	111.3	148.3	-106.5	166.6	-167.1	-173.4	0	112.7
121	T	33.2	Very low	31.3	Very low	127 Å²	127	155.6 Å²	155.6	78%	0.779	83%	0.829	S	S	*	*			trans	48.1	118.3	133.2	52.7	0	0	0	0	121.6
122	S	32.1	Very low	31.1	Very low	115 Å²	115	160.9 Å²	160.9	80%	0.804	83%	0.834	S	S	*	*			trans	-70.9	170.4	160.8	-45.9	0	0	0	0	112.8
123	P	37.8	Very low	31.5	Very low	117 Å²	117	155.9 Å²	155.9	76%	0.76	83%	0.832	S	S	*	*				-155	147	90.1	37.3	-18.3	0	0	0	116.6
124	V	33.9	Very low	31.7	Very low	151 Å²	151	152 Å²	152	92%	0.915	82%	0.82	S	S	*	*			trans	-145.3	134.1	143.7	179.7	0	0	0	0	109.8
125	V	30.3	Very low	31.6	Very low	113 Å²	113	156.1 Å²	156.1	69%	0.685	83%	0.831	S	S	*	*			trans	-79.3	138.3	-176.6	166.5	0	0	0	0	111.7
126	N	34.1	Very low	31.8	Very low	157 Å²	157	156.1 Å²	156.1	84%	0.84	83%	0.831	S	S	*	*			trans	-156.5	120.5	134.9	-105.9	-22.2	0	0	0	114.8
127	Q	33.5	Very low	31.6	Very low	147 Å²	147	162.5 Å²	162.5	69%	0.687	84%	0.837	S	S	*	*			trans	-5.5	134.3	166	-63.7	-177.7	3.9	0	0	124.3
128	K	30.1	Very low	31.8	Very low	185 Å²	185	161.9 Å²	161.9	80%	0.804	83%	0.834	S	S	*	*				64.1	112.5	129.5	-68.6	179	177.2	175.9	0	120.5
129	R	32.2	Very low	31.7	Very low	254 Å²	254	163.3 Å²	163.3	96%	0.958	83%	0.83	S	S	*	*				-166.6	127	105.3	-118.8	173.6	168.9	163.3	-3.8	112
130	T	28.2	Very low	31.7	Very low	134 Å²	134	166 Å²	166	82%	0.822	83%	0.834	S	S	*	*			trans	-90.7	133.5	172	22.8	0	0	0	0	110.5
131	L	33.8	Very low	31.7	Very low	182 Å²	182	163.1 Å²	163.1	95%	0.953	83%	0.832	S	S	*	*			trans	-142.9	131	147.4	-81.9	178.7	0	0	0	109.7
132	R	28.7	Very low	31.7	Very low	248 Å²	248	164.7 Å²	164.7	94%	0.936	83%	0.834	S	S	*	*			trans	-84.3	144.6	177.7	-71.8	172	164.2	-179.1	-5.2	110
133	S	33.9	Very low	31.7	Very low	110 Å²	110	164.6 Å²	164.6	77%	0.769	83%	0.831	S	S	*	*			trans	-167.5	122.2	131.7	72.1	0	0	0	0	113.2
134	S	33.7	Very low	31.4	Very low	100 Å²	100	165.8 Å²	165.8	70%	0.699	83%	0.831	S	S	*	*			trans	53.5	104.9	139	38.6	0	0	0	0	122.6
135	H	27.5	Very low	31.1	Very low	196 Å²	196	163.5 Å²	163.5	91%	0.907	83%	0.828	S	S	*	*				37.6	101.5	117.9	-72	67	0	0	0	118.8
136	R	31.4	Very low	31.1	Very low	246 Å²	246	165.1 Å²	165.1	93%	0.928	83%	0.831	S	S	*	*			trans	-147.2	128.3	140.9	-136.1	177.7	-172.4	-161.8	1.4	109.5	S138	R136-S138 PolarHBondContact O-N 3.4Å
137	R	28.1	Very low	30.7	Very low	255 Å²	255	163.4 Å²	163.4	96%	0.962	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-57.5	117.9	177.6	-69.2	175.2	179	175.7	-1.5	109.1
138	S	30.4	Very low	30.4	Very low	114 Å²	114	164.6 Å²	164.6	80%	0.797	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-102.4	130.6	167.2	80.5	0	0	0	0	109.8	R136	R136-S138 PolarHBondContact O-N 3.4Å
139	I	31.7	Very low	30.2	Very low	156 Å²	156	161 Å²	161	80%	0.8	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-60.1	137.8	168.2	-68.1	161.2	0	0	0	107.9	T141	I139-T141 PolarHBondContact O-N 3.23Å; I139-T141 VanDerWaalsContact O-N 3.08Å
140	Q	28.5	Very low	29.9	Very low	189 Å²	189	159 Å²	159	88%	0.883	81%	0.813	S	S	*	*			trans	-62	106.7	176.2	-75.1	173	-21.4	0	0	109.8
141	T	32	Very low	29.9	Very low	129 Å²	129	160 Å²	160	79%	0.791	81%	0.813	S	S	*	*			trans	-92	115.9	161.7	43.9	0	0	0	0	108.3	I139	I139-T141 PolarHBondContact O-N 3.23Å; I139-T141 VanDerWaalsContact O-N 3.08Å
142	I	33.9	Very low	29.5	Very low	160 Å²	160	158 Å²	158	82%	0.821	80%	0.798	S	S	*	*			trans	-64.3	129.2	171.6	-60.5	169.7	0	0	0	107.8
143	P	32.8	Very low	29.4	Very low	113 Å²	113	157.8 Å²	157.8	73%	0.734	80%	0.797	S	S	*	*			trans	-80.9	126.2	-178	30.7	-31.2	0	0	0	111.6
144	N	30.7	Very low	29.1	Very low	143 Å²	143	160.5 Å²	160.5	77%	0.765	80%	0.796	S	S	*	*			trans	26.2	97.4	149.5	-62.2	-10.2	0	0	0	117	I146	N144-I146 PolarHBondContact O-N 2.62Å; N144-I146 VanDerWaalsContact O-N 3.16Å
145	A	28	Very low	28.7	Very low	102 Å²	102	161.3 Å²	161.3	84%	0.843	80%	0.799	S	S	*	*			trans	-70.4	102.3	155.8	0	0	0	0	0	108.5	L147	A145-L147 PolarHBondContact O-N 3.42Å; A145-L147 VanDerWaalsContact O-N 3.15Å
146	I	29.7	Very low	28.8	Very low	148 Å²	148	159.9 Å²	159.9	76%	0.759	80%	0.796	S	S	*	*			trans	-68.9	105.6	168.3	-64.6	171.3	0	0	0	106.9	N144 Q148	N144-I146 PolarHBondContact O-N 2.62Å; N144-I146 VanDerWaalsContact O-N 3.16Å; I146-Q148 PolarHBondContact O-N 3.36Å
147	L	25.8	Very low	28.8	Very low	120 Å²	120	155.9 Å²	155.9	63%	0.628	79%	0.788	S	S	*	*			trans	-70.6	92.4	172.4	-113	154.8	0	0	0	108.7	A145 V149	A145-L147 PolarHBondContact O-N 3.42Å; A145-L147 VanDerWaalsContact O-N 3.15Å; L147-V149 PolarHBondContact O-N 2.81Å
148	Q	26.7	Very low	28.8	Very low	172 Å²	172	148.9 Å²	148.9	80%	0.804	78%	0.778	S	S	*	*			trans	-86.3	89	175.4	-157.1	174.4	25.7	0	0	108.9	I146 R150	I146-Q148 PolarHBondContact O-N 3.36Å; Q148-R150 PolarHBondContact O-N 3.06Å
149	V	25.9	Very low	28.8	Very low	111 Å²	111	152.7 Å²	152.7	67%	0.673	78%	0.78	S	S	*	*			trans	-69.3	104.1	173.3	-179.3	0	0	0	0	108.7	L147	L147-V149 PolarHBondContact O-N 2.81Å
150	R	26.9	Very low	28.6	Very low	210 Å²	210	150.4 Å²	150.4	79%	0.792	78%	0.778	S	S	*	*			trans	-98.5	105.9	174.1	-160.1	175.5	-171.4	162.9	-0.5	108.4	Q148 E152	Q148-R150 PolarHBondContact O-N 3.06Å; R150-E152 PolarHBondContact O-N 2.84Å
151	L	27.4	Very low	28.7	Very low	157 Å²	157	144.9 Å²	144.9	82%	0.822	77%	0.772	S	S	*	*			trans	-66.2	98	170.3	-80.3	159.3	0	0	0	109.3	R153	L151-R153 PolarHBondContact O-N 3.21Å
152	E	25.8	Very low	28.6	Very low	139 Å²	139	148.2 Å²	148.2	65%	0.65	78%	0.776	S	S	*	*			trans	-78.4	112	164	-71	-157.1	160.8	0	0	109.2	R150 F154	R150-E152 PolarHBondContact O-N 2.84Å; E152-F154 PolarHBondContact O-N 3.3Å
153	R	27.1	Very low	28.3	Very low	243 Å²	243	150.3 Å²	150.3	92%	0.917	78%	0.779	S	S	*	*			trans	-76.4	110.5	169.6	-73.9	-177.9	178.2	173.1	-0.5	108.7	L151	L151-R153 PolarHBondContact O-N 3.21Å
154	F	26.2	Very low	28.3	Very low	168 Å²	168	150.5 Å²	150.5	74%	0.737	78%	0.783	S	S	*	*			trans	-75.9	133.9	167.3	-69	-79.8	0	0	0	110.4	E152 I156	E152-F154 PolarHBondContact O-N 3.3Å; F154-I156 PolarHBondContact O-N 2.8Å
155	P	26.6	Very low	28.2	Very low	117 Å²	117	150.9 Å²	150.9	76%	0.76	79%	0.785	S	S	*	*			trans	-70	124.8	170.7	4.8	5.8	0	0	0	109.8	Q157	P155-Q157 PolarHBondContact O-N 3.28Å
156	I	30.1	Very low	28.5	Very low	166 Å²	166	151.9 Å²	151.9	85%	0.851	79%	0.785	S	S	*	*			trans	-63.8	102.5	169.2	-60.5	171.2	0	0	0	107.6	F154 S158	F154-I156 PolarHBondContact O-N 2.8Å; I156-S158 PolarHBondContact O-N 3.49Å
157	Q	30.2	Very low	28.7	Very low	161 Å²	161	149.5 Å²	149.5	75%	0.752	79%	0.788	S	S	*	*			trans	-71.7	113.6	164	-77.1	-174.5	1.5	0	0	108.2	P155 F159	P155-Q157 PolarHBondContact O-N 3.28Å; Q157-F159 PolarHBondContact O-N 3.12Å
158	S	28.6	Very low	28.8	Very low	109 Å²	109	151 Å²	151	76%	0.762	80%	0.802	S	S	*	*			trans	-62	103	168	52.3	0	0	0	0	109.8	I156 S160	I156-S158 PolarHBondContact O-N 3.49Å; S158-S160 PolarHBondContact O-N 3.38Å; S158-S160 VanDerWaalsContact O-N 3.1Å
159	F	29.3	Very low	28.9	Very low	193 Å²	193	146.2 Å²	146.2	85%	0.846	80%	0.799	S	S	*	*			trans	-71.8	97.4	165	-95.3	-90.1	0	0	0	109.3	Q157 G161	Q157-F159 PolarHBondContact O-N 3.12Å; F159-G161 PolarHBondContact O-N 3.13Å
160	S	27.9	Very low	29.1	Very low	108 Å²	108	146.3 Å²	146.3	76%	0.755	80%	0.804	S	S	*	*			trans	-82.3	88	160.3	63.9	0	0	0	0	108.8	S158 K162	S158-S160 PolarHBondContact O-N 3.38Å; S158-S160 VanDerWaalsContact O-N 3.1Å; S160-K162 PolarHBondContact O-N 2.75Å
161	G	30.5	Very low	29.2	Very low	73 Å²	73	142 Å²	142	75%	0.753	81%	0.805	S	S	*	*			trans	-78	111.4	171.6	0	0	0	0	0	110.7	F159	F159-G161 PolarHBondContact O-N 3.13Å
162	K	30.9	Very low	29.2	Very low	200 Å²	200	141.9 Å²	141.9	87%	0.87	81%	0.806	S	S	*	*			trans	-67.4	139.2	175	-72.3	175.6	175.9	175.5	0	110.8	S160	S160-K162 PolarHBondContact O-N 2.75Å
163	K	26.5	Very low	29.3	Very low	204 Å²	204	140.6 Å²	140.6	89%	0.887	81%	0.812	S	S	*	*			trans	-60.7	136.5	160.5	-72.3	179.2	172.4	-175.5	0	110.1
164	S	34.2	Very low	29.5	Very low	116 Å²	116	134.7 Å²	134.7	81%	0.811	81%	0.808	S	S	*	*			trans	-148.3	120.3	152.3	53.1	0	0	0	0	109.5
165	D	27.8	Very low	29.6	Very low	152 Å²	152	134.8 Å²	134.8	81%	0.813	82%	0.815	S	S	*	*			trans	-72.9	165.8	171.7	-68	-51	0	0	0	112.4
166	S	34.1	Very low	29.8	Very low	122 Å²	122	134 Å²	134	85%	0.853	82%	0.819	S	S	*	*			trans	114.8	133.7	167	74	0	0	0	0	112.7
167	A	33.1	Very low	29.7	Very low	99 Å²	99	133.7 Å²	133.7	82%	0.818	82%	0.819	S	S	*	*			cis	-157.8	164.6	0.2	0	0	0	0	0	109.8
168	V	29	Very low	29.7	Very low	150 Å²	150	135.1 Å²	135.1	91%	0.909	83%	0.825	S	S	*	*			trans	-64.8	142.9	-179.5	175.1	0	0	0	0	113
169	G	29.5	Very low	29.8	Very low	73 Å²	73	134.6 Å²	134.6	75%	0.753	82%	0.822	S	S	*	*			trans	-167.9	97.3	165.6	0	0	0	0	0	112.7
170	S	28.8	Very low	29.8	Very low	112 Å²	112	134.8 Å²	134.8	78%	0.783	83%	0.825	S	S	*	*			trans	-58.1	157.2	160.1	-147.2	0	0	0	0	109.2
171	C	29.5	Very low	29.9	Very low	119 Å²	119	135.1 Å²	135.1	80%	0.804	82%	0.823	S	S	*	*			cis	-176.1	175.3	46.3	30.8	0	0	0	0	111.6
172	N	26.6	Very low	29.9	Very low	156 Å²	156	138.9 Å²	138.9	83%	0.834	82%	0.821	S	S	*	*			trans	-61.3	161.4	-165.9	-69.6	-30	0	0	0	121.3
173	S	28.7	Very low	30	Very low	112 Å²	112	133.6 Å²	133.6	78%	0.783	81%	0.805	S	S	*	*			trans	96.4	118.2	137.6	74.5	0	0	0	0	119.9
174	S	31.8	Very low	30.6	Very low	118 Å²	118	132.8 Å²	132.8	83%	0.825	80%	0.802	S	S	*	*				174.9	154.9	100.2	43.5	0	0	0	0	112.2
175	L	28.3	Very low	30.5	Very low	171 Å²	171	129.9 Å²	129.9	90%	0.895	79%	0.785	S	S	*	*			trans	-66.8	151.8	-174.6	-64.4	105.4	0	0	0	114.2
176	A	31.1	Very low	30.9	Very low	101 Å²	101	125 Å²	125	84%	0.835	76%	0.763	S	S	*	*				-168.6	138.9	127.4	0	0	0	0	0	112.5
177	N	26.5	Very low	31.2	Very low	159 Å²	159	126 Å²	126	85%	0.85	75%	0.752	S	S	*	*			trans	-46.5	129.4	174	-65.6	-36.4	0	0	0	115
178	E	31.2	Very low	31.5	Very low	191 Å²	191	127.9 Å²	127.9	89%	0.893	74%	0.743	S	S	*	*			trans	-138.5	119	148	-79.5	-168	157.3	0	0	112.1
179	S	31.5	Very low	31.8	Very low	98 Å²	98	125.5 Å²	125.5	69%	0.685	73%	0.725	S	S	*	*			trans	7	118.9	159.2	45.6	0	0	0	0	120.6	T181	S179-T181 PolarHBondContact O-N 2.75Å; S179-T181 VanDerWaalsContact O-N 3.12Å
180	Q	28.4	Very low	32.1	Very low	197 Å²	197	127.7 Å²	127.7	92%	0.921	72%	0.719	S	S	*	*			trans	-60	101.1	151.7	-68.3	178.5	-3.7	0	0	110.7
181	T	30.4	Very low	32.9	Very low	115 Å²	115	126.6 Å²	126.6	71%	0.706	71%	0.711	S	S	*	*			trans	-138.5	70.1	153.7	37.2	0	0	0	0	107.9	S179 T183	S179-T181 PolarHBondContact O-N 2.75Å; S179-T181 VanDerWaalsContact O-N 3.12Å; T181-T183 PolarHBondContact O-N 3.37Å
182	E	30.4	Very low	33.4	Very low	151 Å²	151	126 Å²	126	71%	0.706	70%	0.7	S	S	*	*			trans	-67.9	100.7	163.5	-80.6	-173.2	167	0	0	108
183	T	33.6	Very low	34	Very low	89 Å²	89	125.2 Å²	125.2	55%	0.546	69%	0.689	S	S	.	*			trans	-60.1	139.1	171.6	40.4	0	0	0	0	109.9	T181 A185 S186	T181-T183 PolarHBondContact O-N 3.37Å; T183-A185 PolarHBondContact O-N 2.99Å; T183-S186 WeakPolarHBondContact O-CB 3.5Å; T183-S186 PolarHBondContact O-N 3.06Å; T183-S186 PolarHBondContact O-OG 3.15Å; T183-S186 PolarHBondContact OG1-OG 3.41Å
184	K	37.3	Very low	34.7	Very low	188 Å²	188	121.6 Å²	121.6	82%	0.817	66%	0.664	S	S	*	*	H	α-helix	trans	-48.4	-28.3	178.4	-128.9	176.7	178.7	-174.8	0	113.5	S186 K187 E188	K184-S186 VanDerWaalsContact C-N 3.33Å; K184-S186 PolarHBondContact O-N 2.79Å; K184-K187 PolarHBondContact O-N 2.97Å; K184-E188 PolarHBondContact O-N 3.31Å
185	A	33.2	Very low	35.4	Very low	55 Å²	55	122 Å²	122	46%	0.455	66%	0.664	S	S	.	*	H	α-helix	trans	-63.3	-31.8	176	0	0	0	0	0	114	T183 E188 L189	T183-A185 PolarHBondContact O-N 2.99Å; A185-E188 PolarHBondContact O-N 2.75Å; A185-L189 PolarHBondContact O-N 3.36Å; A185-L189 VanDerWaalsContact O-N 3.1Å
186	S	36.3	Very low	36.5	Very low	49 Å²	49	119.1 Å²	119.1	34%	0.343	64%	0.641	S	S	.	*	H	α-helix	trans	-72.2	-31.5	179.8	-48.7	0	0	0	0	112.1	T183 K184 L190	T183-S186 WeakPolarHBondContact O-CB 3.5Å; T183-S186 PolarHBondContact O-N 3.06Å; T183-S186 PolarHBondContact O-OG 3.15Å; T183-S186 PolarHBondContact OG1-OG 3.41Å; K184-S186 VanDerWaalsContact C-N 3.33Å; K184-S186 PolarHBondContact O-N 2.79Å; S186-L190 WeakPolarHBondContact O-CB 3.49Å; S186-L190 WeakPolarHBondContact O-CD1 3.05Å; S186-L190 WeakPolarHBondContact O-CG 3.33Å; S186-L190 PolarHBondContact O-N 3.06Å
187	K	39.4	Very low	37.7	Very low	143 Å²	143	125.2 Å²	125.2	62%	0.622	64%	0.642	S	S	*	*	H	α-helix	trans	-75.6	-32.4	175.5	-81.5	-175.2	178.1	178.7	0	112.9	K184 S191	K184-K187 PolarHBondContact O-N 2.97Å; K187-S191 PolarHBondContact O-N 2.94Å
188	E	39.6	Very low	39.4	Very low	139 Å²	139	119.5 Å²	119.5	65%	0.65	61%	0.61	S	S	*	*	H	α-helix	trans	-69.6	-42.1	172.6	-81	178.4	167.2	0	0	111.6	K184 A185 S191 L192	K184-E188 PolarHBondContact O-N 3.31Å; A185-E188 PolarHBondContact O-N 2.75Å; E188-S191 PolarHBondContact O-N 3.41Å; E188-S191 PolarHBondContact O-OG 2.94Å; E188-L192 PolarHBondContact O-N 3.36Å
189	L	35	Very low	40.8	Very low	99 Å²	99	115 Å²	115	52%	0.518	60%	0.6	S	S	.	*	H	α-helix	trans	-65.5	-39	175.2	-81.5	163.8	0	0	0	112.9	A185 S191 L192 F193	A185-L189 PolarHBondContact O-N 3.36Å; A185-L189 VanDerWaalsContact O-N 3.1Å; L189-S191 PolarHBondContact O-N 3.31Å; L189-L192 PolarHBondContact O-N 2.94Å; L189-L192 VanDerWaalsContact O-N 3.14Å; L189-F193 HydrophobicContact CD2-CE2 4.45Å; L189-F193 WeakPolarHBondContact O-CD2 3.41Å; L189-F193 PolarHBondContact O-N 3.14Å
190	L	37.4	Very low	42.6	Very low	119 Å²	119	112.9 Å²	112.9	62%	0.623	59%	0.585	S	S	*	*	H	α-helix	trans	-65.6	-25.2	175.6	-75.2	167.7	0	0	0	113.1	S186 L192 F193	S186-L190 WeakPolarHBondContact O-CB 3.49Å; S186-L190 WeakPolarHBondContact O-CD1 3.05Å; S186-L190 WeakPolarHBondContact O-CG 3.33Å; S186-L190 PolarHBondContact O-N 3.06Å; L190-L192 VanDerWaalsContact C-N 3.31Å; L190-F193 CarbonylContact O-C 3.56Å; L190-F193 PolarHBondContact O-N 2.84Å
191	S	44.2	Very low	44.6	Very low	90 Å²	90	106.6 Å²	106.6	63%	0.629	57%	0.567	S	S	*	*	H	α-helix	trans	-74	-21.9	174.6	74.5	0	0	0	0	113.6	K187 E188 L189	K187-S191 PolarHBondContact O-N 2.94Å; E188-S191 PolarHBondContact O-N 3.41Å; E188-S191 PolarHBondContact O-OG 2.94Å; L189-S191 PolarHBondContact O-N 3.31Å
192	L	41.3	Very low	46.5	Very low	106 Å²	106	102.9 Å²	102.9	56%	0.555	55%	0.551	S	S	*	*	H	α-helix	trans	-80.2	-23.4	172.1	-74.6	160.1	0	0	0	112.2	E188 L189 L190	E188-L192 PolarHBondContact O-N 3.36Å; L189-L192 PolarHBondContact O-N 2.94Å; L189-L192 VanDerWaalsContact O-N 3.14Å; L190-L192 VanDerWaalsContact C-N 3.31Å
193	F	39.6	Very low	48.4	Very low	140 Å²	140	100 Å²	100	61%	0.614	54%	0.536	S	S	*	.			trans	-106.3	81.5	179.7	-64.7	-69.5	0	0	0	111.2	L189 L190 P195	L189-F193 HydrophobicContact CD2-CE2 4.45Å; L189-F193 WeakPolarHBondContact O-CD2 3.41Å; L189-F193 PolarHBondContact O-N 3.14Å; L190-F193 CarbonylContact O-C 3.56Å; L190-F193 PolarHBondContact O-N 2.84Å; F193-P195 WeakPolarHBondContact O-CD 3.4Å
194	S	41.5	Very low	50.3	Low	36 Å²	36	97.4 Å²	97.4	25%	0.252	52%	0.519	S	S	.	.			trans	-62.9	124.2	159.2	-168.2	0	0	0	0	108.2	R196 E311	S194-R196 PolarHBondContact O-N 3.45Å; S194-R196 VanDerWaalsContact O-N 3.12Å; S194-E311 PolarHBondContact OG-OE1 3.2Å
195	P	47.7	Very low	52.3	Low	127 Å²	127	88.7 Å²	88.7	83%	0.825	48%	0.481	S	S	*	.			trans	-71.1	-4.4	-179.3	27.5	-32.4	0	0	0	112.9	F193 R197	F193-P195 WeakPolarHBondContact O-CD 3.4Å; P195-R197 PolarHBondContact O-N 3.41Å; P195-R197 VanDerWaalsContact O-N 3.09Å
196	R	50.9	Low	54.4	Low	109 Å²	109	87.1 Å²	87.1	41%	0.411	47%	0.468	S	S	.	.			trans	-79.2	94.3	-179.4	-77.2	-169.5	-121.5	-145.4	-1.4	111.1	S194	S194-R196 PolarHBondContact O-N 3.45Å; S194-R196 VanDerWaalsContact O-N 3.12Å
197	R	56.7	Low	56.2	Low	229 Å²	229	84.9 Å²	84.9	86%	0.864	45%	0.453	S	S	*	.			trans	-70.3	123.2	159.4	-70.1	-173.6	-179.1	-170.4	-0.7	109	P195	P195-R197 PolarHBondContact O-N 3.41Å; P195-R197 VanDerWaalsContact O-N 3.09Å
198	F	61.2	Low	58.2	Low	39 Å²	39	80.2 Å²	80.2	17%	0.171	43%	0.432	C	S	.	.			trans	-72.9	158.2	172.1	-67.5	-90.6	0	0	0	110.9	S200 K203 D204 A207 D375	F198-S200 PolarHBondContact O-N 2.97Å; F198-S200 VanDerWaalsContact O-N 3.08Å; F198-K203 HydrophobicContact CB-CB 3.65Å; F198-K203 HydrophobicContact CD1-CB 4.47Å; F198-K203 HydrophobicContact CG-CB 4.13Å; F198-D204 HydrophobicContact CB-CB 4.45Å; F198-A207 HydrophobicContact CD2-CB 3.7Å; F198-A207 HydrophobicContact CE2-CB 3.12Å; F198-A207 HydrophobicContact CZ-CB 3.73Å; F198-D375 HydrophobicContact CD1-CB 3.94Å; F198-D375 HydrophobicContact CE1-CB 3.93Å
199	S	60.6	Low	60.2	Low	97 Å²	97	73.7 Å²	73.7	68%	0.678	40%	0.402	S	S	*	.	S	Bend	trans	-60.8	-18.1	-177.4	48.5	0	0	0	0	114.9
200	S	70.6	Confident	62.1	Low	54 Å²	54	71.1 Å²	71.1	38%	0.378	39%	0.386	S	S	.	.	S	Bend	trans	-134.7	146.7	176.2	68.5	0	0	0	0	111.9	F198 G202 K203 D204	F198-S200 PolarHBondContact O-N 2.97Å; F198-S200 VanDerWaalsContact O-N 3.08Å; S200-G202 PolarHBondContact O-N 3.21Å; S200-K203 PolarHBondContact O-N 2.97Å; S200-K203 VanDerWaalsContact O-N 3.12Å; S200-K203 WeakPolarHBondContact OG-CB 3.04Å; S200-K203 WeakPolarHBondContact OG-CG 3.43Å; S200-K203 PolarHBondContact OG-N 3.25Å; S200-D204 PolarHBondContact O-N 2.98Å
201	A	70	Confident	63.8	Low	65 Å²	65	67.8 Å²	67.8	54%	0.537	37%	0.366	S	S	.	.	H	α-helix	trans	-58.4	-34.3	178	0	0	0	0	0	112.8	D204 Q205	A201-D204 PolarHBondContact O-N 3.49Å; A201-Q205 WeakPolarHBondContact O-CB 3.39Å; A201-Q205 PolarHBondContact O-N 3.22Å
202	G	70.4	Confident	65.1	Low	36 Å²	36	64.2 Å²	64.2	37%	0.371	34%	0.339	S	S	.	.	H	α-helix	trans	-66.1	-43.1	175.1	0	0	0	0	0	112.9	S200 D204 Q205 A206	S200-G202 PolarHBondContact O-N 3.21Å; G202-D204 VanDerWaalsContact C-N 3.34Å; G202-Q205 PolarHBondContact O-N 3.39Å; G202-A206 WeakPolarHBondContact O-CB 3.41Å; G202-A206 PolarHBondContact O-N 3.27Å
203	K	69.3	Low	65.9	Low	91 Å²	91	62.7 Å²	62.7	40%	0.396	33%	0.332	S	S	.	.	H	α-helix	trans	-64.1	-40.3	173.2	-79.9	-176.1	166.3	-169.3	0	111.7	F198 S200 A206 A207 D375	F198-K203 HydrophobicContact CB-CB 3.65Å; F198-K203 HydrophobicContact CD1-CB 4.47Å; F198-K203 HydrophobicContact CG-CB 4.13Å; S200-K203 PolarHBondContact O-N 2.97Å; S200-K203 VanDerWaalsContact O-N 3.12Å; S200-K203 WeakPolarHBondContact OG-CB 3.04Å; S200-K203 WeakPolarHBondContact OG-CG 3.43Å; S200-K203 PolarHBondContact OG-N 3.25Å; K203-A206 PolarHBondContact O-N 3.31Å; K203-A207 VanDerWaalsContact O-CB 3.3Å; K203-A207 WeakPolarHBondContact O-CB 3.44Å; K203-A207 PolarHBondContact O-N 3.5Å; K203-D375 IonicContact NZ-OD2 3.75Å; K203-D375 PolarHBondContact NZ-OD2 3.31Å
204	D	74.6	Confident	67	Low	35 Å²	35	59.4 Å²	59.4	19%	0.187	32%	0.315	C	S	.	.	H	α-helix	trans	-61.5	-45.5	177.5	-164.6	64.8	0	0	0	111.3	F198 S200 A201 G202 A207 K208	F198-D204 HydrophobicContact CB-CB 4.45Å; S200-D204 PolarHBondContact O-N 2.98Å; A201-D204 PolarHBondContact O-N 3.49Å; G202-D204 VanDerWaalsContact C-N 3.34Å; D204-A207 PolarHBondContact O-N 3.14Å; D204-K208 WeakPolarHBondContact O-CG 3.41Å; D204-K208 PolarHBondContact O-N 3.06Å; D204-K208 WeakPolarHBondContact OD2-CE 3.4Å; D204-K208 IonicContact OD2-NZ 3.62Å
205	Q	79.9	Confident	68.6	Low	4 Å²	4	59.4 Å²	59.4	2%	0.019	31%	0.31	C	S	.	.	H	α-helix	trans	-62	-49	174.7	-174.4	68.9	3.9	0	0	112.4	A201 G202 A207 K208 L209 I496 C499 F505 Y508	A201-Q205 WeakPolarHBondContact O-CB 3.39Å; A201-Q205 PolarHBondContact O-N 3.22Å; G202-Q205 PolarHBondContact O-N 3.39Å; Q205-A207 PolarHBondContact O-N 3.01Å; Q205-K208 WeakPolarHBondContact O-CB 3.32Å; Q205-K208 PolarHBondContact O-N 3.23Å; Q205-K208 VanDerWaalsContact O-N 3.16Å; Q205-L209 HydrophobicContact CG-CD1 4.09Å; Q205-L209 WeakPolarHBondContact O-CG 3.26Å; Q205-L209 PolarHBondContact O-N 3.23Å; Q205-I496 PolarHBondContact NE2-O 3.14Å; Q205-C499 PolarHBondContact OE1-SG 3.06Å; Q205-F505 HydrophobicContact CB-CE1 4.05Å; Q205-F505 HydrophobicContact CG-CD1 4.45Å; Q205-F505 HydrophobicContact CG-CE1 3.97Å; Q205-Y508 HydrophobicContact CG-CE2 4.26Å
206	A	75.3	Confident	70	Confident	23 Å²	23	57.6 Å²	57.6	19%	0.19	29%	0.287	C	S	.	.	H	α-helix	trans	-58.7	-35.1	177.2	0	0	0	0	0	111.2	G202 K203 K210	G202-A206 WeakPolarHBondContact O-CB 3.41Å; G202-A206 PolarHBondContact O-N 3.27Å; K203-A206 PolarHBondContact O-N 3.31Å; A206-K210 VanDerWaalsContact O-CB 3.3Å; A206-K210 WeakPolarHBondContact O-CB 3.4Å; A206-K210 VanDerWaalsContact O-CG 3.24Å; A206-K210 WeakPolarHBondContact O-CG 3.05Å; A206-K210 PolarHBondContact O-N 3.36Å
207	A	75.5	Confident	71.4	Confident	2 Å²	2	53.7 Å²	53.7	2%	0.017	27%	0.273	C	S	.	.	H	α-helix	trans	-71.9	-41.3	176.7	0	0	0	0	0	112.9	F198 K203 D204 Q205 K210 R211 V284	F198-A207 HydrophobicContact CD2-CB 3.7Å; F198-A207 HydrophobicContact CE2-CB 3.12Å; F198-A207 HydrophobicContact CZ-CB 3.73Å; K203-A207 VanDerWaalsContact O-CB 3.3Å; K203-A207 WeakPolarHBondContact O-CB 3.44Å; K203-A207 PolarHBondContact O-N 3.5Å; D204-A207 PolarHBondContact O-N 3.14Å; Q205-A207 PolarHBondContact O-N 3.01Å; A207-K210 PolarHBondContact O-N 2.8Å; A207-R211 VanDerWaalsContact CB-NH1 3.31Å; A207-R211 WeakPolarHBondContact O-CB 3.17Å; A207-R211 WeakPolarHBondContact O-CG 3.45Å; A207-R211 PolarHBondContact O-N 3.19Å; A207-V284 HydrophobicContact CB-CG2 3.76Å
208	K	81.8	Confident	72.6	Confident	44 Å²	44	45.7 Å²	45.7	19%	0.191	25%	0.246	C	C	.	.	H	α-helix	trans	-57.1	-48.3	170.9	-70.6	172.3	-178.5	178.1	0	111.5	D204 Q205 K210 R211 L212 E495 I496	D204-K208 WeakPolarHBondContact O-CG 3.41Å; D204-K208 PolarHBondContact O-N 3.06Å; D204-K208 WeakPolarHBondContact OD2-CE 3.4Å; D204-K208 IonicContact OD2-NZ 3.62Å; Q205-K208 WeakPolarHBondContact O-CB 3.32Å; Q205-K208 PolarHBondContact O-N 3.23Å; Q205-K208 VanDerWaalsContact O-N 3.16Å; K208-K210 VanDerWaalsContact C-N 3.32Å; K208-K210 PolarHBondContact O-N 2.84Å; K208-R211 PolarHBondContact O-N 3.39Å; K208-L212 PolarHBondContact O-N 3.18Å; K208-E495 HydrophobicContact CD-CG 4.3Å; K208-E495 PolarHBondContact NZ-O 3.11Å; K208-I496 HydrophobicContact CB-CG1 4.48Å
209	L	81.2	Confident	73.4	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-62.8	-38.9	178.2	-69.1	165.6	0	0	0	112.2	Q205 L212 V476 M490 I496 Y508	Q205-L209 HydrophobicContact CG-CD1 4.09Å; Q205-L209 WeakPolarHBondContact O-CG 3.26Å; Q205-L209 PolarHBondContact O-N 3.23Å; L209-L212 HydrophobicContact CD2-CD1 4.2Å; L209-L212 VanDerWaalsContact O-CB 3.25Å; L209-L212 WeakPolarHBondContact O-CB 3.19Å; L209-L212 WeakPolarHBondContact O-CD1 3.39Å; L209-L212 WeakPolarHBondContact O-CG 3.42Å; L209-L212 PolarHBondContact O-N 3.39Å; L209-V476 HydrophobicContact CB-CG1 4.15Å; L209-V476 HydrophobicContact CD2-CG1 3.9Å; L209-M490 HydrophobicContact CD2-SD 3.89Å; L209-I496 HydrophobicContact CD2-CD1 4.12Å; L209-I496 HydrophobicContact CD2-CG1 4.32Å; L209-I496 HydrophobicContact CD2-CG2 3.75Å; L209-Y508 HydrophobicContact CD1-CE1 4.31Å; L209-Y508 WeakPolarHBondContact CD1-OH 3.33Å; L209-Y508 HydrophobicContact CD2-CE1 4.38Å
210	K	73.9	Confident	74.3	Confident	44 Å²	44	44.3 Å²	44.3	19%	0.191	23%	0.229	C	C	.	.	H	α-helix	trans	-68.6	-39.4	178.2	-79.2	170.7	-177.3	173	0	111.8	A206 A207 K208 L212 V284 Y285 D473 T475	A206-K210 VanDerWaalsContact O-CB 3.3Å; A206-K210 WeakPolarHBondContact O-CB 3.4Å; A206-K210 VanDerWaalsContact O-CG 3.24Å; A206-K210 WeakPolarHBondContact O-CG 3.05Å; A206-K210 PolarHBondContact O-N 3.36Å; A207-K210 PolarHBondContact O-N 2.8Å; K208-K210 VanDerWaalsContact C-N 3.32Å; K208-K210 PolarHBondContact O-N 2.84Å; K210-L212 PolarHBondContact O-N 3.5Å; K210-L212 VanDerWaalsContact O-N 3.15Å; K210-V284 HydrophobicContact CB-CB 4.08Å; K210-V284 HydrophobicContact CB-CG2 3.71Å; K210-V284 HydrophobicContact CD-CB 4.33Å; K210-V284 HydrophobicContact CD-CG2 3.82Å; K210-V284 HydrophobicContact CG-CG2 4.33Å; K210-Y285 HydrophobicContact CB-CE2 3.99Å; K210-Y285 WeakPolarHBondContact O-CE2 3.3Å; K210-Y285 PolarHBondContact O-OH 2.99Å; K210-D473 VanDerWaalsContact CE-OD2 3.28Å; K210-D473 WeakPolarHBondContact CE-OD2 3.29Å; K210-D473 IonicContact NZ-OD2 2.69Å; K210-D473 PolarHBondContact NZ-OD2 3.45Å; K210-T475 HydrophobicContact CG-CG2 3.93Å
211	R	72.9	Confident	74.4	Confident	50 Å²	50	45.8 Å²	45.8	19%	0.189	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-10	175.3	-74	171.2	-175.6	122	-0.3	114.7	A207 K208 N213 Y285 E311	A207-R211 VanDerWaalsContact CB-NH1 3.31Å; A207-R211 WeakPolarHBondContact O-CB 3.17Å; A207-R211 WeakPolarHBondContact O-CG 3.45Å; A207-R211 PolarHBondContact O-N 3.19Å; K208-R211 PolarHBondContact O-N 3.39Å; R211-N213 PolarHBondContact O-N 3.21Å; R211-Y285 WeakPolarHBondContact CA-OH 3.46Å; R211-E311 IonicContact CZ-OE1 2.84Å; R211-E311 IonicContact NE-OE1 2.73Å; R211-E311 PolarHBondContact NE-OE1 2.83Å; R211-E311 IonicContact NE-OE2 3.67Å; R211-E311 IonicContact NH2-OE1 2.74Å; R211-E311 PolarHBondContact NH2-OE1 3.19Å; R211-E311 VanDerWaalsContact NH2-OE1 3.16Å
212	L	71.8	Confident	74.6	Confident	14 Å²	14	49.3 Å²	49.3	7%	0.073	24%	0.241	C	C	.	.			trans	-65.3	85.7	168	-63.9	171.4	0	0	0	109.1	K208 L209 K210 R214 V476 V488 M490 S493 I496	K208-L212 PolarHBondContact O-N 3.18Å; L209-L212 HydrophobicContact CD2-CD1 4.2Å; L209-L212 VanDerWaalsContact O-CB 3.25Å; L209-L212 WeakPolarHBondContact O-CB 3.19Å; L209-L212 WeakPolarHBondContact O-CD1 3.39Å; L209-L212 WeakPolarHBondContact O-CG 3.42Å; L209-L212 PolarHBondContact O-N 3.39Å; K210-L212 PolarHBondContact O-N 3.5Å; K210-L212 VanDerWaalsContact O-N 3.15Å; L212-R214 PolarHBondContact O-N 2.85Å; L212-V476 HydrophobicContact CD1-CG1 4.25Å; L212-V488 HydrophobicContact CB-CG1 3.95Å; L212-V488 HydrophobicContact CD1-CG1 3.7Å; L212-V488 HydrophobicContact CG-CG1 4.47Å; L212-M490 HydrophobicContact CD1-CG 3.75Å; L212-M490 HydrophobicContact CD1-SD 3.99Å; L212-S493 WeakPolarHBondContact CD2-OG 3.32Å; L212-I496 HydrophobicContact CD1-CD1 3.51Å; L212-I496 HydrophobicContact CD2-CD1 3.77Å; L212-I496 HydrophobicContact CG-CD1 3.93Å
213	N	57.8	Low	74.9	Confident	75 Å²	75	49.2 Å²	49.2	40%	0.401	23%	0.23	S	C	.	.			trans	-70.9	49.9	170	-78.1	8.9	0	0	0	110.5	R211 Y285 E318	R211-N213 PolarHBondContact O-N 3.21Å; N213-Y285 PolarHBondContact OD1-OH 3.33Å; N213-E318 WeakPolarHBondContact CB-OE1 3.4Å
214	R	63.5	Low	75	Confident	71 Å²	71	46 Å²	46	27%	0.268	22%	0.218	S	C	.	.			trans	-137.2	24.9	-171.2	-64.5	-173.8	179.3	-126.6	0.9	112.4	L212 R216 D489 E492	L212-R214 PolarHBondContact O-N 2.85Å; R214-R216 PolarHBondContact O-N 2.81Å; R214-D489 WeakPolarHBondContact CD-O 3.47Å; R214-D489 PolarHBondContact O-N 3.23Å; R214-E492 IonicContact CZ-OE1 3.17Å; R214-E492 IonicContact CZ-OE2 3.04Å; R214-E492 VanDerWaalsContact CZ-OE2 3.25Å; R214-E492 IonicContact NH1-OE1 2.6Å; R214-E492 PolarHBondContact NH1-OE1 3.07Å; R214-E492 IonicContact NH1-OE2 3.29Å; R214-E492 PolarHBondContact NH1-OE2 3.35Å; R214-E492 IonicContact NH2-OE1 3.18Å; R214-E492 IonicContact NH2-OE2 3Å; R214-E492 PolarHBondContact NH2-OE2 3.2Å
215	R	74.5	Confident	74.5	Confident	35 Å²	35	49.5 Å²	49.5	13%	0.132	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	104.9	165.1	-91.5	-170.6	170.1	169.2	-16.2	108.3	P321 E322 F474 T475 Y487 V488	R215-P321 HydrophobicContact CB-CB 4.1Å; R215-P321 HydrophobicContact CB-CG 4.31Å; R215-E322 VanDerWaalsContact NH1-CG 3.35Å; R215-E322 IonicContact NH1-OE2 3.32Å; R215-F474 PolarHBondContact NH2-O 3.14Å; R215-T475 VanDerWaalsContact CZ-O 3.22Å; R215-T475 PolarHBondContact NE-O 3.29Å; R215-T475 PolarHBondContact NH2-O 3.39Å; R215-Y487 CarbonylContact C-O 3.49Å; R215-Y487 WeakPolarHBondContact CA-O 3.23Å; R215-V488 HydrophobicContact CB-CG2 4.32Å; R215-V488 HydrophobicContact CG-CG2 3.28Å
216	R	76.9	Confident	73.8	Confident	90 Å²	90	55.8 Å²	55.8	34%	0.34	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	141.4	174.2	-65.8	-171.4	-176.4	151.7	10.7	108.9	R214 V486 Y487 D489	R214-R216 PolarHBondContact O-N 2.81Å; R216-V486 WeakPolarHBondContact O-CA 3.04Å; R216-Y487 HydrophobicContact CB-CD1 4.17Å; R216-Y487 HydrophobicContact CB-CE1 3.75Å; R216-Y487 PolarHBondContact N-O 3.3Å; R216-Y487 PolarHBondContact NH1-OH 3.05Å; R216-Y487 PolarHBondContact O-N 3.49Å; R216-D489 IonicContact CZ-OD2 3.44Å; R216-D489 IonicContact NH1-OD2 3.43Å; R216-D489 PolarHBondContact NH1-OD2 2.84Å; R216-D489 IonicContact NH2-OD2 3.53Å; R216-D489 PolarHBondContact NH2-OD2 2.91Å
217	M	81	Confident	73.1	Confident	27 Å²	27	57.8 Å²	57.8	13%	0.133	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	120.3	166.9	-178.6	167	-175.6	0	0	108.3	V245 Y320 P321 F324 N484 I485 V486	M217-V245 HydrophobicContact CB-CG2 3.79Å; M217-V245 HydrophobicContact CE-CG2 4.45Å; M217-V245 HydrophobicContact CG-CG2 3.49Å; M217-V245 VanDerWaalsContact CG-CG2 3.49Å; M217-V245 HydrophobicContact SD-CG2 3.73Å; M217-Y320 HydrophobicContact CE-CE1 3.84Å; M217-Y320 HydrophobicContact SD-CD1 3.71Å; M217-Y320 HydrophobicContact SD-CE1 3.45Å; M217-Y320 WeakPolarHBondContact SD-CE1 3.5Å; M217-P321 HydrophobicContact CB-CG 4.21Å; M217-F324 HydrophobicContact CE-CD1 3.9Å; M217-F324 HydrophobicContact CE-CD2 3.88Å; M217-F324 HydrophobicContact CE-CE1 3.75Å; M217-F324 HydrophobicContact CE-CE2 3.74Å; M217-F324 HydrophobicContact CE-CG 3.95Å; M217-F324 HydrophobicContact CE-CZ 3.66Å; M217-F324 HydrophobicContact SD-CD1 4.44Å; M217-F324 HydrophobicContact SD-CG 4.41Å; M217-N484 HydrophobicContact CE-CB 3.6Å; M217-I485 CarbonylContact C-O 3.58Å; M217-I485 VanDerWaalsContact CA-O 3.3Å; M217-I485 WeakPolarHBondContact CA-O 3.37Å; M217-V486 HydrophobicContact CB-CG2 4.1Å; M217-V486 HydrophobicContact CE-CG2 4.07Å; M217-V486 HydrophobicContact CG-CG2 3.68Å; M217-V486 HydrophobicContact SD-CG2 3.69Å
218	E	82.5	Confident	72.1	Confident	61 Å²	61	60.5 Å²	60.5	29%	0.285	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	148.5	-173.9	-63.5	177.1	-168.5	0	0	109.8	N484 I485 Y487 R520	E218-N484 CarbonylContact O-C 3.52Å; E218-N484 WeakPolarHBondContact O-CA 3.35Å; E218-I485 PolarHBondContact N-O 2.87Å; E218-I485 PolarHBondContact O-N 2.88Å; E218-Y487 PolarHBondContact OE1-OH 2.87Å; E218-R520 IonicContact OE2-CZ 2.74Å; E218-R520 IonicContact OE2-NE 3.58Å; E218-R520 PolarHBondContact OE2-NE 3.32Å; E218-R520 IonicContact OE2-NH2 3.85Å; E218-R520 PolarHBondContact OE2-NH2 3.42Å
219	F	78.5	Confident	70.3	Confident	82 Å²	82	61.7 Å²	61.7	36%	0.36	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.6	172	-171.8	-98.9	0	0	0	110.1	V221 L224 L240 E482 N484	F219-V221 HydrophobicContact CD1-CG2 4.25Å; F219-V221 HydrophobicContact CE1-CG2 3.98Å; F219-L224 HydrophobicContact CE2-CD1 4.39Å; F219-L224 HydrophobicContact CZ-CD1 4.12Å; F219-L224 HydrophobicContact CZ-CD2 4.08Å; F219-L240 HydrophobicContact CE2-CD2 4.24Å; F219-L240 HydrophobicContact CZ-CD2 4.38Å; F219-E482 WeakPolarHBondContact CE2-O 3.39Å; F219-N484 WeakPolarHBondContact CD2-OD1 3.34Å
220	D	78	Confident	68.1	Low	25 Å²	25	67.3 Å²	67.3	13%	0.134	35%	0.353	C	S	.	.			trans	-116.5	110.4	-178.5	-167.7	-38.4	0	0	0	110.7	Q222 E223 L224 G483 I485 R520	D220-Q222 VanDerWaalsContact C-N 3.25Å; D220-Q222 PolarHBondContact O-N 3.4Å; D220-Q222 WeakPolarHBondContact OD1-CA 3.44Å; D220-Q222 WeakPolarHBondContact OD1-CB 3.43Å; D220-Q222 PolarHBondContact OD1-N 2.8Å; D220-E223 HydrophobicContact CB-CB 4.05Å; D220-E223 HydrophobicContact CB-CG 4.16Å; D220-E223 PolarHBondContact O-N 2.86Å; D220-E223 PolarHBondContact OD1-N 2.76Å; D220-L224 PolarHBondContact O-N 2.92Å; D220-G483 PolarHBondContact N-O 3Å; D220-I485 HydrophobicContact CB-CD1 3.76Å; D220-I485 HydrophobicContact CB-CG1 4.31Å; D220-R520 IonicContact OD2-CZ 2.67Å; D220-R520 IonicContact OD2-NH1 3.64Å; D220-R520 PolarHBondContact OD2-NH1 3.23Å; D220-R520 IonicContact OD2-NH2 3.75Å; D220-R520 PolarHBondContact OD2-NH2 3.28Å
221	V	73	Confident	66.2	Low	84 Å²	84	72.7 Å²	72.7	51%	0.509	38%	0.384	S	S	.	.	H	α-helix	trans	-64.7	-29.3	-180	178.3	0	0	0	0	111.8	F219 L224 N225	F219-V221 HydrophobicContact CD1-CG2 4.25Å; F219-V221 HydrophobicContact CE1-CG2 3.98Å; V221-L224 WeakPolarHBondContact O-CB 3.44Å; V221-N225 VanDerWaalsContact O-CG 3.31Å; V221-N225 PolarHBondContact O-N 3.33Å; V221-N225 VanDerWaalsContact O-N 3.14Å; V221-N225 PolarHBondContact O-ND2 2.86Å; V221-N225 VanDerWaalsContact O-ND2 3.11Å
222	Q	73.6	Confident	64.8	Low	140 Å²	140	75 Å²	75	65%	0.654	40%	0.399	S	S	*	.	H	α-helix	trans	-74.4	-41.6	179.9	-59.9	-177.8	2.7	0	0	110.8	D220 L224 N225 Q226	D220-Q222 VanDerWaalsContact C-N 3.25Å; D220-Q222 PolarHBondContact O-N 3.4Å; D220-Q222 WeakPolarHBondContact OD1-CA 3.44Å; D220-Q222 WeakPolarHBondContact OD1-CB 3.43Å; D220-Q222 PolarHBondContact OD1-N 2.8Å; Q222-L224 VanDerWaalsContact C-N 3.32Å; Q222-N225 PolarHBondContact O-N 3.38Å; Q222-Q226 WeakPolarHBondContact O-CG 3.43Å; Q222-Q226 PolarHBondContact O-N 3.2Å; Q222-Q226 VanDerWaalsContact O-N 3.14Å
223	E	77	Confident	63.4	Low	33 Å²	33	77.8 Å²	77.8	15%	0.154	42%	0.42	C	S	.	.	H	α-helix	trans	-64.9	-36.7	172.9	-76	-74.5	178.3	0	0	112	D220 N225 Q226 S227 Q430 I485	D220-E223 HydrophobicContact CB-CB 4.05Å; D220-E223 HydrophobicContact CB-CG 4.16Å; D220-E223 PolarHBondContact O-N 2.86Å; D220-E223 PolarHBondContact OD1-N 2.76Å; E223-N225 PolarHBondContact O-N 2.93Å; E223-Q226 PolarHBondContact O-N 2.9Å; E223-S227 PolarHBondContact O-N 3.24Å; E223-S227 PolarHBondContact O-OG 2.82Å; E223-Q430 PolarHBondContact OE2-NE2 3.36Å; E223-I485 HydrophobicContact CG-CD1 4.09Å
224	L	72.1	Confident	62.6	Low	24 Å²	24	80.1 Å²	80.1	13%	0.126	44%	0.439	C	S	.	.	H	α-helix	trans	-54.7	-53.5	171.1	-173.6	81.3	0	0	0	110.7	F219 D220 V221 Q222 Q226 S227 F228 L240 E482	F219-L224 HydrophobicContact CE2-CD1 4.39Å; F219-L224 HydrophobicContact CZ-CD1 4.12Å; F219-L224 HydrophobicContact CZ-CD2 4.08Å; D220-L224 PolarHBondContact O-N 2.92Å; V221-L224 WeakPolarHBondContact O-CB 3.44Å; Q222-L224 VanDerWaalsContact C-N 3.32Å; L224-Q226 PolarHBondContact O-N 3.23Å; L224-S227 WeakPolarHBondContact CA-OG 3.29Å; L224-S227 PolarHBondContact O-N 3Å; L224-S227 VanDerWaalsContact O-N 3.13Å; L224-S227 PolarHBondContact O-OG 3.18Å; L224-S227 VanDerWaalsContact O-OG 3.04Å; L224-F228 HydrophobicContact CD1-CD2 3.81Å; L224-F228 HydrophobicContact CD1-CE2 3.46Å; L224-F228 VanDerWaalsContact CD1-CE2 3.46Å; L224-F228 HydrophobicContact CG-CD2 3.95Å; L224-F228 HydrophobicContact CG-CE2 4.13Å; L224-F228 VanDerWaalsContact O-CD2 3.25Å; L224-F228 WeakPolarHBondContact O-CD2 3.44Å; L224-F228 PolarHBondContact O-N 3.14Å; L224-L240 HydrophobicContact CD1-CD1 4.33Å; L224-L240 HydrophobicContact CD1-CD2 3.28Å; L224-L240 HydrophobicContact CD1-CG 4.45Å; L224-E482 VanDerWaalsContact CD1-O 3.28Å; L224-E482 WeakPolarHBondContact CD1-O 3.17Å
225	N	64.7	Low	61.4	Low	109 Å²	109	81.2 Å²	81.2	58%	0.583	46%	0.457	S	S	*	.	H	α-helix	trans	-62.9	-30.2	-178.4	-69.8	-32.8	0	0	0	113	V221 Q222 E223	V221-N225 VanDerWaalsContact O-CG 3.31Å; V221-N225 PolarHBondContact O-N 3.33Å; V221-N225 VanDerWaalsContact O-N 3.14Å; V221-N225 PolarHBondContact O-ND2 2.86Å; V221-N225 VanDerWaalsContact O-ND2 3.11Å; Q222-N225 PolarHBondContact O-N 3.38Å; E223-N225 PolarHBondContact O-N 2.93Å
226	Q	64.8	Low	60	Low	135 Å²	135	80.8 Å²	80.8	63%	0.631	46%	0.46	S	S	*	.	H	α-helix	trans	-75.7	-33.4	176.2	-69.9	175.7	47.8	0	0	112.9	Q222 E223 L224	Q222-Q226 WeakPolarHBondContact O-CG 3.43Å; Q222-Q226 PolarHBondContact O-N 3.2Å; Q222-Q226 VanDerWaalsContact O-N 3.14Å; E223-Q226 PolarHBondContact O-N 2.9Å; L224-Q226 PolarHBondContact O-N 3.23Å
227	S	59.4	Low	58.4	Low	66 Å²	66	79.9 Å²	79.9	46%	0.462	47%	0.467	S	S	.	.	H	α-helix	trans	-76.7	-28	178	37	0	0	0	0	112.8	E223 L224 G229	E223-S227 PolarHBondContact O-N 3.24Å; E223-S227 PolarHBondContact O-OG 2.82Å; L224-S227 WeakPolarHBondContact CA-OG 3.29Å; L224-S227 PolarHBondContact O-N 3Å; L224-S227 VanDerWaalsContact O-N 3.13Å; L224-S227 PolarHBondContact O-OG 3.18Å; L224-S227 VanDerWaalsContact O-OG 3.04Å; S227-G229 PolarHBondContact O-N 2.7Å
228	F	54.8	Low	56.6	Low	59 Å²	59	84.9 Å²	84.9	26%	0.259	50%	0.495	S	S	.	.			trans	-99.2	69.6	175.2	-66.9	-78.4	0	0	0	112.5	L224 C230 L232 L240 E482	L224-F228 HydrophobicContact CD1-CD2 3.81Å; L224-F228 HydrophobicContact CD1-CE2 3.46Å; L224-F228 VanDerWaalsContact CD1-CE2 3.46Å; L224-F228 HydrophobicContact CG-CD2 3.95Å; L224-F228 HydrophobicContact CG-CE2 4.13Å; L224-F228 VanDerWaalsContact O-CD2 3.25Å; L224-F228 WeakPolarHBondContact O-CD2 3.44Å; L224-F228 PolarHBondContact O-N 3.14Å; F228-C230 PolarHBondContact O-N 3.04Å; F228-L232 HydrophobicContact CD1-CD2 3.73Å; F228-L232 HydrophobicContact CD1-CG 4.26Å; F228-L232 HydrophobicContact CE1-CD2 3.81Å; F228-L232 HydrophobicContact CG-CD2 4.26Å; F228-L232 HydrophobicContact CG-CG 4.48Å; F228-L232 HydrophobicContact CZ-CD2 4.43Å; F228-L240 HydrophobicContact CE2-CD1 4.27Å; F228-L240 HydrophobicContact CE2-CD2 4.5Å; F228-L240 HydrophobicContact CZ-CD1 4.24Å; F228-E482 HydrophobicContact CE2-CB 4.29Å; F228-E482 HydrophobicContact CE2-CG 4.35Å; F228-E482 HydrophobicContact CZ-CB 4.36Å; F228-E482 HydrophobicContact CZ-CG 3.98Å
229	G	44	Very low	55	Low	69 Å²	69	84.5 Å²	84.5	71%	0.711	50%	0.499	S	S	*	.			trans	-67.6	94.2	165.9	0	0	0	0	0	111.5	S227	S227-G229 PolarHBondContact O-N 2.7Å
230	C	35.8	Very low	53.6	Low	120 Å²	120	81.2 Å²	81.2	81%	0.811	49%	0.485	S	S	*	.	S	Bend	trans	52.1	81.6	171.9	-68.9	0	0	0	0	116.2	F228	F228-C230 PolarHBondContact O-N 3.04Å
231	D	34.4	Very low	52.2	Low	158 Å²	158	87 Å²	87	85%	0.845	51%	0.511	S	S	*	.			trans	166.2	103.3	137	-89.6	-21.5	0	0	0	109.4
232	L	43.5	Very low	51.2	Low	99 Å²	99	85.9 Å²	85.9	52%	0.518	50%	0.502	S	S	.	.			trans	-111.9	114.1	163.9	-75.3	168.2	0	0	0	108.6	F228 S236	F228-L232 HydrophobicContact CD1-CD2 3.73Å; F228-L232 HydrophobicContact CD1-CG 4.26Å; F228-L232 HydrophobicContact CE1-CD2 3.81Å; F228-L232 HydrophobicContact CG-CD2 4.26Å; F228-L232 HydrophobicContact CG-CG 4.48Å; F228-L232 HydrophobicContact CZ-CD2 4.43Å; L232-S236 WeakPolarHBondContact CD2-OG 3.29Å
233	S	41.9	Very low	50.4	Low	72 Å²	72	80.8 Å²	80.8	50%	0.503	48%	0.478	S	S	.	.			trans	-72.2	145.9	156.9	54.8	0	0	0	0	109.2	S235 S236	S233-S235 PolarHBondContact O-N 3.29Å; S233-S235 PolarHBondContact OG-OG 2.89Å; S233-S236 PolarHBondContact O-N 2.96Å; S233-S236 PolarHBondContact O-OG 3.13Å
234	P	40	Very low	49.5	Very low	123 Å²	123	80 Å²	80	80%	0.799	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-21.2	-174.7	-25.2	32.2	0	0	0	116	S236	P234-S236 VanDerWaalsContact C-N 3.33Å; P234-S236 PolarHBondContact O-N 2.91Å
235	S	38.7	Very low	48.8	Very low	94 Å²	94	81.5 Å²	81.5	66%	0.657	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.8	-15.1	-178	61.9	0	0	0	0	115.5	S233	S233-S235 PolarHBondContact O-N 3.29Å; S233-S235 PolarHBondContact OG-OG 2.89Å
236	S	46	Very low	48.9	Very low	27 Å²	27	82 Å²	82	19%	0.189	49%	0.493	C	S	.	.	H	α-helix	trans	-85	-15.5	178.4	45.7	0	0	0	0	113.5	L232 S233 P234 D238 S239 L240	L232-S236 WeakPolarHBondContact CD2-OG 3.29Å; S233-S236 PolarHBondContact O-N 2.96Å; S233-S236 PolarHBondContact O-OG 3.13Å; P234-S236 VanDerWaalsContact C-N 3.33Å; P234-S236 PolarHBondContact O-N 2.91Å; S236-D238 PolarHBondContact O-N 3.36Å; S236-S239 PolarHBondContact O-OG 2.85Å; S236-L240 WeakPolarHBondContact O-CB 3.37Å; S236-L240 WeakPolarHBondContact O-CD1 3.14Å; S236-L240 PolarHBondContact O-N 3.24Å
237	S	43.3	Very low	49.5	Very low	70 Å²	70	78 Å²	78	49%	0.49	49%	0.488	S	S	.	.	H	α-helix	trans	-65.4	-36.3	179.5	-176.3	0	0	0	0	112.7	L240 H241	S237-L240 WeakPolarHBondContact O-CB 3.25Å; S237-L240 PolarHBondContact O-N 3.24Å; S237-H241 PolarHBondContact O-N 3.11Å
238	D	42.1	Very low	50.9	Low	132 Å²	132	79 Å²	79	71%	0.706	49%	0.488	S	S	*	.	H	α-helix	trans	-72.9	-38.3	-179.3	-75.5	-20	0	0	0	112	S236 L240 H241 D242	S236-D238 PolarHBondContact O-N 3.36Å; D238-L240 PolarHBondContact O-N 2.91Å; D238-H241 PolarHBondContact O-N 3.22Å; D238-D242 WeakPolarHBondContact O-CB 3.28Å; D238-D242 PolarHBondContact O-N 2.75Å
239	S	50.3	Low	52.6	Low	53 Å²	53	78.1 Å²	78.1	37%	0.371	49%	0.488	S	S	.	.	H	α-helix	trans	-69.6	-22.3	175	72.9	0	0	0	0	113.2	S236 Q243	S236-S239 PolarHBondContact O-OG 2.85Å; S239-Q243 PolarHBondContact O-NE2 2.74Å
240	L	48.9	Very low	55	Low	14 Å²	14	76.6 Å²	76.6	7%	0.073	46%	0.464	C	S	.	.	H	α-helix	trans	-74.3	-42.6	178.1	-100.1	157.9	0	0	0	112	F219 L224 F228 S236 S237 D238 D242 E482	F219-L240 HydrophobicContact CE2-CD2 4.24Å; F219-L240 HydrophobicContact CZ-CD2 4.38Å; L224-L240 HydrophobicContact CD1-CD1 4.33Å; L224-L240 HydrophobicContact CD1-CD2 3.28Å; L224-L240 HydrophobicContact CD1-CG 4.45Å; F228-L240 HydrophobicContact CE2-CD1 4.27Å; F228-L240 HydrophobicContact CE2-CD2 4.5Å; F228-L240 HydrophobicContact CZ-CD1 4.24Å; S236-L240 WeakPolarHBondContact O-CB 3.37Å; S236-L240 WeakPolarHBondContact O-CD1 3.14Å; S236-L240 PolarHBondContact O-N 3.24Å; S237-L240 WeakPolarHBondContact O-CB 3.25Å; S237-L240 PolarHBondContact O-N 3.24Å; D238-L240 PolarHBondContact O-N 2.91Å; L240-D242 VanDerWaalsContact C-N 3.28Å; L240-E482 HydrophobicContact CD2-CB 3.91Å
241	H	47.9	Very low	57.8	Low	146 Å²	146	75.8 Å²	75.8	68%	0.676	45%	0.448	S	S	*	.	H	α-helix	trans	-69.3	-28.7	171.9	-105.7	64.5	0	0	0	112.4	S237 D238 Q243 S244 K252	S237-H241 PolarHBondContact O-N 3.11Å; D238-H241 PolarHBondContact O-N 3.22Å; H241-Q243 VanDerWaalsContact C-N 3.32Å; H241-Q243 PolarHBondContact O-N 2.86Å; H241-S244 WeakPolarHBondContact O-CB 3.39Å; H241-S244 PolarHBondContact O-N 3.35Å; H241-K252 PolarHBondContact O-NZ 3.32Å
242	D	52.3	Low	60.5	Low	61 Å²	61	69.3 Å²	69.3	33%	0.326	41%	0.412	S	S	.	.	H	α-helix	trans	-68.8	-32.3	-175.9	-156.1	9.9	0	0	0	113.2	D238 L240 K252 R255	D238-D242 WeakPolarHBondContact O-CB 3.28Å; D238-D242 PolarHBondContact O-N 2.75Å; L240-D242 VanDerWaalsContact C-N 3.28Å; D242-K252 PolarHBondContact O-NZ 2.76Å; D242-R255 WeakPolarHBondContact OD1-CD 3.1Å; D242-R255 IonicContact OD1-CZ 2.87Å; D242-R255 IonicContact OD1-NE 3.87Å; D242-R255 IonicContact OD1-NH1 3.64Å; D242-R255 PolarHBondContact OD1-NH1 2.92Å; D242-R255 WeakPolarHBondContact OD2-CD 3.46Å
243	Q	55.9	Low	62.9	Low	32 Å²	32	64.6 Å²	64.6	15%	0.15	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-8.4	-179.8	-68.3	176.2	75.6	0	0	114.4	S239 H241 Y320 E482	S239-Q243 PolarHBondContact O-NE2 2.74Å; H241-Q243 VanDerWaalsContact C-N 3.32Å; H241-Q243 PolarHBondContact O-N 2.86Å; Q243-Y320 PolarHBondContact O-OH 2.86Å; Q243-E482 PolarHBondContact NE2-OE2 2.83Å
244	S	59.1	Low	65.5	Low	16 Å²	16	61.8 Å²	61.8	11%	0.112	37%	0.367	C	S	.	.	S	Bend	trans	-65.1	139.5	172.3	166.4	0	0	0	0	110.7	H241 V246 K252	H241-S244 WeakPolarHBondContact O-CB 3.39Å; H241-S244 PolarHBondContact O-N 3.35Å; S244-V246 PolarHBondContact O-N 2.78Å; S244-V246 VanDerWaalsContact O-N 3.12Å; S244-V246 WeakPolarHBondContact OG-CG2 3.38Å; S244-V246 PolarHBondContact OG-N 3.44Å; S244-K252 VanDerWaalsContact O-CE 3.26Å; S244-K252 WeakPolarHBondContact O-CE 3.49Å; S244-K252 PolarHBondContact O-NZ 3.19Å
245	V	57.8	Low	68.1	Low	56 Å²	56	61.3 Å²	61.3	34%	0.339	35%	0.349	S	S	.	.	S	Bend	trans	-67	-7	178	-166.3	0	0	0	0	112.2	M217 G247	M217-V245 HydrophobicContact CB-CG2 3.79Å; M217-V245 HydrophobicContact CE-CG2 4.45Å; M217-V245 HydrophobicContact CG-CG2 3.49Å; M217-V245 VanDerWaalsContact CG-CG2 3.49Å; M217-V245 HydrophobicContact SD-CG2 3.73Å; V245-G247 PolarHBondContact O-N 3.43Å; V245-G247 VanDerWaalsContact O-N 3.13Å
246	V	66.1	Low	70.8	Confident	120 Å²	120	58.1 Å²	58.1	73%	0.727	33%	0.325	S	S	*	.			trans	-68.6	111.3	179.2	-179.3	0	0	0	0	110.3	S244 K252	S244-V246 PolarHBondContact O-N 2.78Å; S244-V246 VanDerWaalsContact O-N 3.12Å; S244-V246 WeakPolarHBondContact OG-CG2 3.38Å; S244-V246 PolarHBondContact OG-N 3.44Å; V246-K252 WeakPolarHBondContact O-CE 3.08Å
247	G	78.3	Confident	73.1	Confident	51 Å²	51	57.9 Å²	57.9	53%	0.526	32%	0.323	S	S	.	.	S	Bend	trans	147.8	-171.2	178.6	0	0	0	0	0	112.1	V245 P249	V245-G247 PolarHBondContact O-N 3.43Å; V245-G247 VanDerWaalsContact O-N 3.13Å; G247-P249 WeakPolarHBondContact O-CD 3.41Å
248	D	89.1	Confident	75.6	Confident	86 Å²	86	58 Å²	58	46%	0.46	34%	0.335	S	S	.	.			trans	-66.8	124.2	169.9	176.7	71.5	0	0	0	110.1	L250 E251 K252	D248-L250 VanDerWaalsContact C-N 3.3Å; D248-L250 PolarHBondContact O-N 3.29Å; D248-L250 WeakPolarHBondContact OD2-CB 3.35Å; D248-L250 PolarHBondContact OD2-N 2.76Å; D248-E251 HydrophobicContact CB-CB 4Å; D248-E251 PolarHBondContact O-N 2.97Å; D248-E251 PolarHBondContact OD2-N 3.37Å; D248-K252 WeakPolarHBondContact O-CG 3.46Å; D248-K252 PolarHBondContact O-N 2.55Å
249	P	89.8	Confident	78.2	Confident	41 Å²	41	52.3 Å²	52.3	27%	0.266	30%	0.304	S	S	.	.	H	α-helix	trans	-60.3	-36	-176.2	-27.7	36	0	0	0	114.1	G247 L253 F316 E317	G247-P249 WeakPolarHBondContact O-CD 3.41Å; P249-L253 WeakPolarHBondContact O-CB 3.49Å; P249-L253 PolarHBondContact O-N 3.4Å; P249-F316 HydrophobicContact CB-CB 3.94Å; P249-E317 HydrophobicContact CB-CB 4.02Å; P249-E317 HydrophobicContact CG-CB 4.16Å
250	L	93.8	Very high	80.3	Confident	38 Å²	38	56.4 Å²	56.4	20%	0.199	33%	0.327	C	S	.	.	H	α-helix	trans	-69.6	-46.7	178.6	171.3	62.5	0	0	0	110.6	D248 K252 L253 L254 I262 F316 V352	D248-L250 VanDerWaalsContact C-N 3.3Å; D248-L250 PolarHBondContact O-N 3.29Å; D248-L250 WeakPolarHBondContact OD2-CB 3.35Å; D248-L250 PolarHBondContact OD2-N 2.76Å; L250-K252 VanDerWaalsContact C-N 3.28Å; L250-K252 PolarHBondContact O-N 2.84Å; L250-L253 PolarHBondContact O-N 3.04Å; L250-L254 HydrophobicContact CD1-CD1 3.95Å; L250-L254 HydrophobicContact CD1-CD2 4.37Å; L250-L254 HydrophobicContact CD1-CG 3.86Å; L250-L254 HydrophobicContact CG-CD1 3.97Å; L250-L254 HydrophobicContact CG-CG 4.31Å; L250-L254 WeakPolarHBondContact O-CB 3.33Å; L250-L254 VanDerWaalsContact O-CG 3.29Å; L250-L254 WeakPolarHBondContact O-CG 3.35Å; L250-L254 PolarHBondContact O-N 3.28Å; L250-I262 HydrophobicContact CD1-CD1 4.01Å; L250-I262 HydrophobicContact CD1-CG1 4.15Å; L250-I262 HydrophobicContact CD2-CD1 3.85Å; L250-F316 HydrophobicContact CB-CD2 3.93Å; L250-F316 HydrophobicContact CB-CE2 4.24Å; L250-F316 HydrophobicContact CB-CG 4.28Å; L250-F316 HydrophobicContact CD1-CD1 4.2Å; L250-F316 HydrophobicContact CD1-CD2 4.3Å; L250-F316 HydrophobicContact CD1-CE1 3.92Å; L250-F316 HydrophobicContact CD1-CE2 4.02Å; L250-F316 HydrophobicContact CD1-CG 4.38Å; L250-F316 HydrophobicContact CD1-CZ 3.81Å; L250-F316 HydrophobicContact CD2-CE2 4.41Å; L250-F316 HydrophobicContact CG-CE2 4.45Å; L250-V352 HydrophobicContact CD1-CG1 4.45Å
251	E	94	Very high	82.5	Confident	102 Å²	102	62 Å²	62	48%	0.477	35%	0.353	S	S	.	.	H	α-helix	trans	-56.6	-44.2	176.5	-169.1	-170.8	158.6	0	0	111.2	D248 L254 R255	D248-E251 HydrophobicContact CB-CB 4Å; D248-E251 PolarHBondContact O-N 2.97Å; D248-E251 PolarHBondContact OD2-N 3.37Å; E251-L254 PolarHBondContact O-N 3Å; E251-R255 WeakPolarHBondContact O-CB 3.4Å; E251-R255 PolarHBondContact O-N 3.4Å; E251-R255 IonicContact OE1-CZ 3.86Å; E251-R255 IonicContact OE1-NH2 2.77Å; E251-R255 PolarHBondContact OE1-NH2 2.86Å
252	K	91.9	Very high	84.9	Confident	22 Å²	22	56.9 Å²	56.9	10%	0.096	33%	0.33	C	S	.	.	H	α-helix	trans	-62.8	-46.5	176.9	-72.8	-75.7	176.9	164.4	0	111.9	H241 D242 S244 V246 D248 L250 R255 L256 Y320	H241-K252 PolarHBondContact O-NZ 3.32Å; D242-K252 PolarHBondContact O-NZ 2.76Å; S244-K252 VanDerWaalsContact O-CE 3.26Å; S244-K252 WeakPolarHBondContact O-CE 3.49Å; S244-K252 PolarHBondContact O-NZ 3.19Å; V246-K252 WeakPolarHBondContact O-CE 3.08Å; D248-K252 WeakPolarHBondContact O-CG 3.46Å; D248-K252 PolarHBondContact O-N 2.55Å; L250-K252 VanDerWaalsContact C-N 3.28Å; L250-K252 PolarHBondContact O-N 2.84Å; K252-R255 PolarHBondContact O-N 3.13Å; K252-L256 WeakPolarHBondContact O-CB 3.2Å; K252-L256 PolarHBondContact O-N 2.92Å; K252-Y320 HydrophobicContact CB-CD2 4.12Å; K252-Y320 HydrophobicContact CB-CE2 3.91Å
253	L	94.6	Very high	87	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-63.9	-42.7	178.1	-177.7	63.1	0	0	0	112	P249 L250 L256 C257 F316 V319 Y320 V323 V352 M389	P249-L253 WeakPolarHBondContact O-CB 3.49Å; P249-L253 PolarHBondContact O-N 3.4Å; L250-L253 PolarHBondContact O-N 3.04Å; L253-L256 PolarHBondContact O-N 3.48Å; L253-C257 WeakPolarHBondContact O-CB 3.33Å; L253-C257 PolarHBondContact O-N 3.11Å; L253-C257 PolarHBondContact O-SG 3.18Å; L253-F316 HydrophobicContact CD2-CB 4.44Å; L253-F316 HydrophobicContact CD2-CD1 3.55Å; L253-F316 HydrophobicContact CD2-CE1 4.27Å; L253-F316 HydrophobicContact CD2-CG 4.43Å; L253-V319 HydrophobicContact CD1-CG1 4.3Å; L253-V319 HydrophobicContact CD2-CB 4.28Å; L253-V319 HydrophobicContact CD2-CG1 4.06Å; L253-Y320 HydrophobicContact CB-CD2 4.38Å; L253-Y320 HydrophobicContact CD1-CD2 4.44Å; L253-V323 HydrophobicContact CD1-CB 4.32Å; L253-V323 HydrophobicContact CD1-CG2 3.84Å; L253-V352 HydrophobicContact CD2-CG2 3.65Å; L253-V352 HydrophobicContact CG-CG2 3.88Å; L253-M389 HydrophobicContact CD2-SD 4.45Å
254	L	96.2	Very high	89	Confident	14 Å²	14	58.2 Å²	58.2	7%	0.073	34%	0.337	C	S	.	.	H	α-helix	trans	-60.4	-46.9	175.8	-71.9	174	0	0	0	110.6	L250 E251 L256 C257 G258 Q259 I262 V352	L250-L254 HydrophobicContact CD1-CD1 3.95Å; L250-L254 HydrophobicContact CD1-CD2 4.37Å; L250-L254 HydrophobicContact CD1-CG 3.86Å; L250-L254 HydrophobicContact CG-CD1 3.97Å; L250-L254 HydrophobicContact CG-CG 4.31Å; L250-L254 WeakPolarHBondContact O-CB 3.33Å; L250-L254 VanDerWaalsContact O-CG 3.29Å; L250-L254 WeakPolarHBondContact O-CG 3.35Å; L250-L254 PolarHBondContact O-N 3.28Å; E251-L254 PolarHBondContact O-N 3Å; L254-L256 VanDerWaalsContact C-N 3.34Å; L254-L256 PolarHBondContact O-N 3.15Å; L254-C257 CarbonylContact O-C 3.6Å; L254-C257 WeakPolarHBondContact O-CA 3.49Å; L254-C257 WeakPolarHBondContact O-CB 3.49Å; L254-C257 PolarHBondContact O-N 3.12Å; L254-G258 PolarHBondContact O-N 3.12Å; L254-Q259 CarbonylContact C-O 3.26Å; L254-Q259 VanDerWaalsContact C-O 3.26Å; L254-Q259 HydrophobicContact CB-CB 4.08Å; L254-Q259 HydrophobicContact CD2-CB 3.76Å; L254-Q259 HydrophobicContact CD2-CG 4.45Å; L254-Q259 WeakPolarHBondContact O-CA 3.35Å; L254-Q259 PolarHBondContact O-N 2.93Å; L254-I262 HydrophobicContact CD1-CG1 4.35Å; L254-I262 HydrophobicContact CD2-CG1 4.05Å; L254-V352 HydrophobicContact CD2-CB 3.9Å; L254-V352 HydrophobicContact CD2-CG2 4.07Å
255	R	94.8	Very high	90.7	Very high	112 Å²	112	58 Å²	58	42%	0.423	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-44.4	176.8	-171.7	174.3	-62.6	164.1	5.7	111.9	D242 E251 K252 C257 G258	D242-R255 WeakPolarHBondContact OD1-CD 3.1Å; D242-R255 IonicContact OD1-CZ 2.87Å; D242-R255 IonicContact OD1-NE 3.87Å; D242-R255 IonicContact OD1-NH1 3.64Å; D242-R255 PolarHBondContact OD1-NH1 2.92Å; D242-R255 WeakPolarHBondContact OD2-CD 3.46Å; E251-R255 WeakPolarHBondContact O-CB 3.4Å; E251-R255 PolarHBondContact O-N 3.4Å; E251-R255 IonicContact OE1-CZ 3.86Å; E251-R255 IonicContact OE1-NH2 2.77Å; E251-R255 PolarHBondContact OE1-NH2 2.86Å; K252-R255 PolarHBondContact O-N 3.13Å; R255-C257 VanDerWaalsContact C-N 3.25Å; R255-C257 PolarHBondContact O-N 3.11Å; R255-G258 PolarHBondContact O-N 3.46Å
256	L	93.8	Very high	92.3	Very high	28 Å²	28	61.7 Å²	61.7	15%	0.147	35%	0.352	C	S	.	.	H	α-helix	trans	-60.3	-36.7	175.3	-174.3	65.7	0	0	0	112	K252 L253 L254 G258 Y320 V323 F324	K252-L256 WeakPolarHBondContact O-CB 3.2Å; K252-L256 PolarHBondContact O-N 2.92Å; L253-L256 PolarHBondContact O-N 3.48Å; L254-L256 VanDerWaalsContact C-N 3.34Å; L254-L256 PolarHBondContact O-N 3.15Å; L256-G258 VanDerWaalsContact C-N 3.25Å; L256-G258 PolarHBondContact O-N 3.42Å; L256-Y320 HydrophobicContact CB-CD2 4.38Å; L256-Y320 HydrophobicContact CB-CE2 3.88Å; L256-Y320 HydrophobicContact CD2-CD2 3.79Å; L256-Y320 HydrophobicContact CD2-CE1 4.43Å; L256-Y320 HydrophobicContact CD2-CE2 3.64Å; L256-Y320 HydrophobicContact CD2-CG 4.25Å; L256-Y320 HydrophobicContact CG-CE2 4.28Å; L256-V323 HydrophobicContact CD2-CB 3.72Å; L256-V323 HydrophobicContact CD2-CG1 3.71Å; L256-V323 HydrophobicContact CG-CG1 3.98Å; L256-F324 HydrophobicContact CD1-CD2 4.29Å; L256-F324 HydrophobicContact CD2-CB 4.02Å
257	C	95.8	Very high	93.6	Very high	22 Å²	22	62.2 Å²	62.2	15%	0.149	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-3.8	175.1	-64.8	0	0	0	0	114	L253 L254 R255 Q259 A350	L253-C257 WeakPolarHBondContact O-CB 3.33Å; L253-C257 PolarHBondContact O-N 3.11Å; L253-C257 PolarHBondContact O-SG 3.18Å; L254-C257 CarbonylContact O-C 3.6Å; L254-C257 WeakPolarHBondContact O-CA 3.49Å; L254-C257 WeakPolarHBondContact O-CB 3.49Å; L254-C257 PolarHBondContact O-N 3.12Å; R255-C257 VanDerWaalsContact C-N 3.25Å; R255-C257 PolarHBondContact O-N 3.11Å; C257-Q259 VanDerWaalsContact C-N 3.31Å; C257-Q259 HydrophobicContact CB-CG 4.23Å; C257-A350 WeakPolarHBondContact CB-O 3.48Å
258	G	95.5	Very high	94.3	Very high	71 Å²	71	60.2 Å²	60.2	73%	0.732	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	30	-172.6	0	0	0	0	0	113.4	L254 R255 L256	L254-G258 PolarHBondContact O-N 3.12Å; R255-G258 PolarHBondContact O-N 3.46Å; L256-G258 VanDerWaalsContact C-N 3.25Å; L256-G258 PolarHBondContact O-N 3.42Å
259	Q	95.7	Very high	94.3	Very high	13 Å²	13	56.6 Å²	56.6	6%	0.061	30%	0.303	C	S	.	.			trans	-109.1	145.7	176.5	-69.4	178.6	-100	0	0	111.4	L254 C257 E261 V352	L254-Q259 CarbonylContact C-O 3.26Å; L254-Q259 VanDerWaalsContact C-O 3.26Å; L254-Q259 HydrophobicContact CB-CB 4.08Å; L254-Q259 HydrophobicContact CD2-CB 3.76Å; L254-Q259 HydrophobicContact CD2-CG 4.45Å; L254-Q259 WeakPolarHBondContact O-CA 3.35Å; L254-Q259 PolarHBondContact O-N 2.93Å; C257-Q259 VanDerWaalsContact C-N 3.31Å; C257-Q259 HydrophobicContact CB-CG 4.23Å; Q259-E261 PolarHBondContact NE2-O 3.15Å; Q259-V352 PolarHBondContact NE2-O 3.43Å
260	T	94.7	Very high	94.2	Very high	140 Å²	140	59 Å²	59	86%	0.859	31%	0.314	S	S	*	.	S	Bend	trans	-95.3	-23.8	166.5	49.5	0	0	0	0	112.1
261	E	96.3	Very high	93.9	Very high	131 Å²	131	62.7 Å²	62.7	61%	0.612	33%	0.33	S	S	*	.	S	Bend	trans	-148.7	161.5	-178.6	66.2	-168.2	146.7	0	0	111.4	Q259	Q259-E261 PolarHBondContact NE2-O 3.15Å
262	I	97.3	Very high	93.8	Very high	38 Å²	38	62 Å²	62	20%	0.195	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-70.4	131.1	173.4	-62.8	163.9	0	0	0	108.7	L250 L254 V352 R354 Q387	L250-I262 HydrophobicContact CD1-CD1 4.01Å; L250-I262 HydrophobicContact CD1-CG1 4.15Å; L250-I262 HydrophobicContact CD2-CD1 3.85Å; L254-I262 HydrophobicContact CD1-CG1 4.35Å; L254-I262 HydrophobicContact CD2-CG1 4.05Å; I262-V352 HydrophobicContact CD1-CG1 4.49Å; I262-V352 HydrophobicContact CG1-CG1 3.99Å; I262-V352 HydrophobicContact CG2-CG1 4.29Å; I262-R354 HydrophobicContact CG2-CB 3.65Å; I262-Q387 HydrophobicContact CD1-CG 4.31Å
263	K	97	Very high	93.7	Very high	83 Å²	83	62.7 Å²	62.7	36%	0.361	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	157.4	178.8	-66.7	-178.7	178.9	-177.7	0	111.4	E267 T351 V352 V353 R354	K263-E267 HydrophobicContact CB-CB 4.26Å; K263-T351 HydrophobicContact CD-CG2 4.31Å; K263-V352 PolarHBondContact N-O 3.46Å; K263-V353 HydrophobicContact CB-CG1 4.45Å; K263-V353 CarbonylContact O-C 3.43Å; K263-V353 WeakPolarHBondContact O-CA 3.34Å; K263-V353 WeakPolarHBondContact O-CB 3.36Å; K263-R354 PolarHBondContact O-N 3.39Å
264	S	96.8	Very high	93.6	Very high	39 Å²	39	63.3 Å²	63.3	27%	0.273	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	163.2	162.9	62.8	0	0	0	0	111.6	D266 E267 Y268 R354	S264-D266 PolarHBondContact O-N 2.78Å; S264-E267 WeakPolarHBondContact CB-OE2 3.46Å; S264-E267 PolarHBondContact N-OE2 3.13Å; S264-E267 PolarHBondContact O-N 2.93Å; S264-E267 WeakPolarHBondContact OG-CB 3.47Å; S264-E267 VanDerWaalsContact OG-CD 3.32Å; S264-E267 WeakPolarHBondContact OG-CG 3.29Å; S264-E267 PolarHBondContact OG-N 3.38Å; S264-E267 VanDerWaalsContact OG-N 3.15Å; S264-E267 PolarHBondContact OG-OE2 2.73Å; S264-Y268 WeakPolarHBondContact O-CB 3.35Å; S264-Y268 PolarHBondContact O-N 3.17Å; S264-Y268 VanDerWaalsContact O-N 3.14Å; S264-R354 WeakPolarHBondContact CA-O 3.28Å
265	F	94.9	Very high	93.5	Very high	10 Å²	10	68.2 Å²	68.2	4%	0.044	36%	0.364	C	S	.	.	H	α-helix	trans	-57.5	-38.7	170.1	-85.7	-73	0	0	0	112.3	Y268 F269 V353 P358 W388	F265-Y268 PolarHBondContact O-N 2.82Å; F265-F269 HydrophobicContact CD1-CD2 4.03Å; F265-F269 HydrophobicContact CD1-CE2 4.14Å; F265-F269 HydrophobicContact CE1-CE2 4.36Å; F265-F269 PolarHBondContact O-N 2.87Å; F265-V353 HydrophobicContact CD1-CG2 4.04Å; F265-V353 HydrophobicContact CD2-CG2 4.39Å; F265-V353 HydrophobicContact CE1-CG2 3.71Å; F265-V353 HydrophobicContact CE2-CG2 4.09Å; F265-V353 HydrophobicContact CG-CG2 4.37Å; F265-V353 HydrophobicContact CZ-CG2 3.74Å; F265-P358 HydrophobicContact CB-CG 4.1Å; F265-P358 HydrophobicContact CD1-CG 3.91Å; F265-P358 HydrophobicContact CD2-CG 4.26Å; F265-P358 HydrophobicContact CE1-CG 4.38Å; F265-P358 HydrophobicContact CG-CG 3.84Å; F265-W388 AromaticContact CE2-CD1 3.5Å; F265-W388 VanDerWaalsContact CE2-CD1 3.5Å; F265-W388 HydrophobicContact CE2-CD2 4.4Å; F265-W388 HydrophobicContact CE2-CG 4.05Å; F265-W388 AromaticContact CE2-NE1 3.53Å; F265-W388 HydrophobicContact CZ-CB 4.26Å; F265-W388 AromaticContact CZ-CD1 3.67Å; F265-W388 HydrophobicContact CZ-CD2 4.02Å; F265-W388 AromaticContact CZ-CG 3.74Å; F265-W388 HydrophobicContact CZ-CG 3.74Å; F265-W388 AromaticContact CZ-NE1 3.92Å
266	D	92.5	Very high	93.5	Very high	134 Å²	134	66.3 Å²	66.3	72%	0.717	37%	0.367	S	S	*	.	H	α-helix	trans	-71.4	-31	-178.1	-62.7	-36.8	0	0	0	112.6	S264 Y268	S264-D266 PolarHBondContact O-N 2.78Å; D266-Y268 VanDerWaalsContact C-N 3.35Å
267	E	93.3	Very high	93.6	Very high	131 Å²	131	65.3 Å²	65.3	61%	0.612	36%	0.362	S	S	*	.	H	α-helix	trans	-74.2	-28.2	172.1	-73.5	167.4	127.3	0	0	112.5	K263 S264	K263-E267 HydrophobicContact CB-CB 4.26Å; S264-E267 WeakPolarHBondContact CB-OE2 3.46Å; S264-E267 PolarHBondContact N-OE2 3.13Å; S264-E267 PolarHBondContact O-N 2.93Å; S264-E267 WeakPolarHBondContact OG-CB 3.47Å; S264-E267 VanDerWaalsContact OG-CD 3.32Å; S264-E267 WeakPolarHBondContact OG-CG 3.29Å; S264-E267 PolarHBondContact OG-N 3.38Å; S264-E267 VanDerWaalsContact OG-N 3.15Å; S264-E267 PolarHBondContact OG-OE2 2.73Å
268	Y	91.5	Very high	93.5	Very high	10 Å²	10	68 Å²	68	4%	0.039	38%	0.377	C	S	.	.	H	α-helix	trans	-87.1	-43.1	-176.7	179.4	-109.7	0	0	0	113.4	S264 F265 D266 R349 T351 V353 V390	S264-Y268 WeakPolarHBondContact O-CB 3.35Å; S264-Y268 PolarHBondContact O-N 3.17Å; S264-Y268 VanDerWaalsContact O-N 3.14Å; F265-Y268 PolarHBondContact O-N 2.82Å; D266-Y268 VanDerWaalsContact C-N 3.35Å; Y268-R349 HydrophobicContact CE2-CG 4.17Å; Y268-R349 VanDerWaalsContact CE2-NE 3.26Å; Y268-R349 VanDerWaalsContact CE2-NH2 3.25Å; Y268-R349 PolarHBondContact O-NH1 2.91Å; Y268-R349 PolarHBondContact OH-NE 2.83Å; Y268-R349 PolarHBondContact OH-NH2 3.4Å; Y268-T351 HydrophobicContact CD2-CG2 3.51Å; Y268-T351 HydrophobicContact CE2-CG2 3.75Å; Y268-T351 WeakPolarHBondContact CE2-OG1 3.33Å; Y268-T351 HydrophobicContact CG-CG2 4.22Å; Y268-V353 HydrophobicContact CD1-CG1 4.24Å; Y268-V353 HydrophobicContact CD2-CG1 4.48Å; Y268-V353 HydrophobicContact CG-CG1 3.9Å; Y268-V390 HydrophobicContact CD1-CG1 4.49Å; Y268-V390 HydrophobicContact CE1-CB 3.93Å; Y268-V390 HydrophobicContact CE1-CG1 3.51Å; Y268-V390 HydrophobicContact CE1-CG2 4.29Å
269	F	89.1	Confident	93.5	Very high	9 Å²	9	64.9 Å²	64.9	4%	0.039	34%	0.344	C	S	.	.	S	Bend	trans	-113.3	134.1	180	-69.8	-58.8	0	0	0	111.7	F265 H271 I273 V274 M277 V297 I299 V390	F265-F269 HydrophobicContact CD1-CD2 4.03Å; F265-F269 HydrophobicContact CD1-CE2 4.14Å; F265-F269 HydrophobicContact CE1-CE2 4.36Å; F265-F269 PolarHBondContact O-N 2.87Å; F269-H271 PolarHBondContact O-N 2.81Å; F269-I273 HydrophobicContact CD1-CG2 4.46Å; F269-V274 HydrophobicContact CB-CG2 3.29Å; F269-V274 HydrophobicContact CD1-CG2 4.22Å; F269-V274 HydrophobicContact CD2-CG2 3.52Å; F269-V274 HydrophobicContact CE2-CG2 4.34Å; F269-V274 HydrophobicContact CG-CG2 3.44Å; F269-V274 VanDerWaalsContact CG-CG2 3.44Å; F269-M277 HydrophobicContact CD1-CE 3.72Å; F269-M277 HydrophobicContact CE1-CE 3.19Å; F269-M277 HydrophobicContact CE1-SD 4.5Å; F269-M277 HydrophobicContact CE2-CE 4.45Å; F269-M277 HydrophobicContact CZ-CE 3.6Å; F269-M277 HydrophobicContact CZ-SD 4.39Å; F269-V297 HydrophobicContact CE1-CG1 4.43Å; F269-V297 HydrophobicContact CZ-CG1 3.88Å; F269-I299 HydrophobicContact CE2-CD1 4.37Å; F269-I299 HydrophobicContact CZ-CD1 4.45Å; F269-V390 HydrophobicContact CZ-CG1 3.96Å
270	D	89.1	Confident	93.3	Very high	91 Å²	91	67 Å²	67	49%	0.487	36%	0.355	S	S	.	.			trans	-63.7	135.4	160.6	-173.6	-75.5	0	0	0	109.8	T272 I273 V274	D270-T272 PolarHBondContact O-N 3.15Å; D270-T272 VanDerWaalsContact OD1-CB 3.28Å; D270-T272 WeakPolarHBondContact OD1-CB 3.34Å; D270-T272 WeakPolarHBondContact OD1-CG2 3.45Å; D270-T272 PolarHBondContact OD1-N 2.99Å; D270-T272 PolarHBondContact OD1-OG1 3.39Å; D270-I273 HydrophobicContact CB-CB 4.42Å; D270-I273 HydrophobicContact CB-CD1 3.98Å; D270-I273 HydrophobicContact CB-CG1 4.07Å; D270-I273 WeakPolarHBondContact O-CB 3.19Å; D270-I273 PolarHBondContact O-N 2.98Å; D270-V274 PolarHBondContact O-N 2.9Å
271	H	87.9	Confident	92.9	Very high	116 Å²	116	61 Å²	61	54%	0.537	32%	0.322	S	S	.	.	H	α-helix	trans	-53.5	-39.7	-178.4	-166.6	-81.6	0	0	0	112.3	F269 I273 V274 E275	F269-H271 PolarHBondContact O-N 2.81Å; H271-I273 VanDerWaalsContact C-N 3.29Å; H271-I273 PolarHBondContact O-N 3.3Å; H271-V274 PolarHBondContact O-N 3.38Å; H271-E275 IonicContact CE1-OE1 2.73Å; H271-E275 PolarHBondContact CE1-OE1 3.29Å; H271-E275 IonicContact CE1-OE2 2.99Å; H271-E275 IonicContact ND1-OE1 2.78Å; H271-E275 PolarHBondContact ND1-OE1 3.26Å; H271-E275 IonicContact ND1-OE2 3.92Å; H271-E275 PolarHBondContact ND1-OE2 2.77Å; H271-E275 WeakPolarHBondContact O-CG 3.41Å; H271-E275 PolarHBondContact O-N 3.31Å
272	T	90.1	Very high	92.4	Very high	87 Å²	87	56.9 Å²	56.9	53%	0.534	30%	0.302	S	S	.	.	H	α-helix	trans	-66.3	-31.9	179.8	67.2	0	0	0	0	112.5	D270 S276	D270-T272 PolarHBondContact O-N 3.15Å; D270-T272 VanDerWaalsContact OD1-CB 3.28Å; D270-T272 WeakPolarHBondContact OD1-CB 3.34Å; D270-T272 WeakPolarHBondContact OD1-CG2 3.45Å; D270-T272 PolarHBondContact OD1-N 2.99Å; D270-T272 PolarHBondContact OD1-OG1 3.39Å; T272-S276 WeakPolarHBondContact O-CB 3.48Å; T272-S276 PolarHBondContact O-N 3.03Å; T272-S276 PolarHBondContact O-OG 3.43Å; T272-S276 VanDerWaalsContact O-OG 3.1Å
273	I	91.6	Very high	91.3	Very high	37 Å²	37	56.1 Å²	56.1	19%	0.19	30%	0.303	C	S	.	.	H	α-helix	trans	-69.2	-47.6	176.2	-67.3	177.8	0	0	0	109.5	F269 D270 H271 S276 M277	F269-I273 HydrophobicContact CD1-CG2 4.46Å; D270-I273 HydrophobicContact CB-CB 4.42Å; D270-I273 HydrophobicContact CB-CD1 3.98Å; D270-I273 HydrophobicContact CB-CG1 4.07Å; D270-I273 WeakPolarHBondContact O-CB 3.19Å; D270-I273 PolarHBondContact O-N 2.98Å; H271-I273 VanDerWaalsContact C-N 3.29Å; H271-I273 PolarHBondContact O-N 3.3Å; I273-S276 PolarHBondContact O-N 2.94Å; I273-M277 HydrophobicContact CG2-CE 3.75Å; I273-M277 VanDerWaalsContact O-CG 3.31Å; I273-M277 WeakPolarHBondContact O-CG 3.31Å; I273-M277 PolarHBondContact O-N 3.14Å
274	V	91.9	Very high	90.2	Very high	13 Å²	13	52.8 Å²	52.8	8%	0.079	29%	0.29	C	S	.	.	H	α-helix	trans	-63.4	-42.3	-179.3	160.9	0	0	0	0	112	F269 D270 H271 S276 M277 P358 A360 L361	F269-V274 HydrophobicContact CB-CG2 3.29Å; F269-V274 HydrophobicContact CD1-CG2 4.22Å; F269-V274 HydrophobicContact CD2-CG2 3.52Å; F269-V274 HydrophobicContact CE2-CG2 4.34Å; F269-V274 HydrophobicContact CG-CG2 3.44Å; F269-V274 VanDerWaalsContact CG-CG2 3.44Å; D270-V274 PolarHBondContact O-N 2.9Å; H271-V274 PolarHBondContact O-N 3.38Å; V274-S276 PolarHBondContact O-N 3.34Å; V274-M277 PolarHBondContact O-N 3.11Å; V274-P358 HydrophobicContact CG1-CB 3.77Å; V274-P358 HydrophobicContact CG1-CG 4.41Å; V274-A360 HydrophobicContact CG1-CB 3.89Å; V274-L361 HydrophobicContact CG1-CD2 4.5Å; V274-L361 HydrophobicContact CG1-CG 4.3Å
275	E	93.2	Very high	89.1	Confident	118 Å²	118	52 Å²	52	55%	0.551	28%	0.281	S	S	*	.	H	α-helix	trans	-60.6	-27.7	176.7	-76.1	-178.2	139.6	0	0	113.6	H271 A360	H271-E275 IonicContact CE1-OE1 2.73Å; H271-E275 PolarHBondContact CE1-OE1 3.29Å; H271-E275 IonicContact CE1-OE2 2.99Å; H271-E275 IonicContact ND1-OE1 2.78Å; H271-E275 PolarHBondContact ND1-OE1 3.26Å; H271-E275 IonicContact ND1-OE2 3.92Å; H271-E275 PolarHBondContact ND1-OE2 2.77Å; H271-E275 WeakPolarHBondContact O-CG 3.41Å; H271-E275 PolarHBondContact O-N 3.31Å; E275-A360 HydrophobicContact CG-CB 4.41Å
276	S	94.9	Very high	88.6	Confident	71 Å²	71	51.7 Å²	51.7	50%	0.497	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	4.8	-176	-58.9	0	0	0	0	113	T272 I273 V274	T272-S276 WeakPolarHBondContact O-CB 3.48Å; T272-S276 PolarHBondContact O-N 3.03Å; T272-S276 PolarHBondContact O-OG 3.43Å; T272-S276 VanDerWaalsContact O-OG 3.1Å; I273-S276 PolarHBondContact O-N 2.94Å; V274-S276 PolarHBondContact O-N 3.34Å
277	M	95.5	Very high	88.7	Confident	8 Å²	8	45.6 Å²	45.6	4%	0.039	25%	0.248	C	C	.	.			trans	-71.6	141.9	174.7	-73.2	-158.9	177.2	0	0	111.7	F269 I273 V274 F289 Q290 V297 L361	F269-M277 HydrophobicContact CD1-CE 3.72Å; F269-M277 HydrophobicContact CE1-CE 3.19Å; F269-M277 HydrophobicContact CE1-SD 4.5Å; F269-M277 HydrophobicContact CE2-CE 4.45Å; F269-M277 HydrophobicContact CZ-CE 3.6Å; F269-M277 HydrophobicContact CZ-SD 4.39Å; I273-M277 HydrophobicContact CG2-CE 3.75Å; I273-M277 VanDerWaalsContact O-CG 3.31Å; I273-M277 WeakPolarHBondContact O-CG 3.31Å; I273-M277 PolarHBondContact O-N 3.14Å; V274-M277 PolarHBondContact O-N 3.11Å; M277-F289 HydrophobicContact CB-CB 4.37Å; M277-F289 HydrophobicContact SD-CB 4.14Å; M277-Q290 WeakPolarHBondContact CA-O 3.29Å; M277-V297 HydrophobicContact CE-CG1 4.46Å; M277-V297 HydrophobicContact CE-CG2 4.01Å; M277-L361 HydrophobicContact CB-CD2 3.78Å; M277-L361 HydrophobicContact CG-CD2 4.26Å; M277-L361 HydrophobicContact SD-CD2 3.83Å
278	V	95.4	Very high	88.6	Confident	77 Å²	77	40.8 Å²	40.8	47%	0.467	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125.3	178.7	-178.8	0	0	0	0	109.6	I280 F289 Q290 S364	V278-I280 PolarHBondContact O-N 2.85Å; V278-F289 CarbonylContact O-C 3.59Å; V278-F289 VanDerWaalsContact O-CA 3.26Å; V278-F289 WeakPolarHBondContact O-CA 3.28Å; V278-Q290 PolarHBondContact N-O 3.11Å; V278-Q290 PolarHBondContact O-N 2.92Å; V278-S364 WeakPolarHBondContact CA-OG 3.33Å
279	K	94.9	Very high	88.8	Confident	7 Å²	7	40.4 Å²	40.4	3%	0.03	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	126	170.4	179.9	172.5	166.3	174.9	0	108.8	G281 E282 E287 V288 F289 S364 W365 Y368	K279-G281 WeakPolarHBondContact CE-O 3.43Å; K279-E282 IonicContact NZ-OE2 2.62Å; K279-E282 PolarHBondContact NZ-OE2 3.38Å; K279-E287 WeakPolarHBondContact CE-OE2 3.41Å; K279-E287 IonicContact NZ-OE2 3.84Å; K279-E287 PolarHBondContact NZ-OE2 3.38Å; K279-V288 WeakPolarHBondContact CA-O 3.06Å; K279-F289 HydrophobicContact CB-CD1 3.89Å; K279-F289 HydrophobicContact CB-CE1 3.83Å; K279-S364 PolarHBondContact N-OG 2.91Å; K279-W365 HydrophobicContact CD-CB 4.27Å; K279-W365 HydrophobicContact CD-CG 4.05Å; K279-W365 VanDerWaalsContact NZ-CD1 3.28Å; K279-Y368 HydrophobicContact CB-CD2 4.26Å; K279-Y368 HydrophobicContact CB-CG 4.29Å; K279-Y368 HydrophobicContact CD-CD1 3.96Å; K279-Y368 HydrophobicContact CD-CD2 4.31Å; K279-Y368 HydrophobicContact CD-CG 3.78Å; K279-Y368 VanDerWaalsContact CE-CD1 3.49Å; K279-Y368 HydrophobicContact CG-CD1 4.4Å; K279-Y368 HydrophobicContact CG-CD2 3.84Å; K279-Y368 HydrophobicContact CG-CE2 4.44Å; K279-Y368 HydrophobicContact CG-CG 3.82Å; K279-Y368 WeakPolarHBondContact O-CD2 3.49Å
280	I	90.7	Very high	89.1	Confident	56 Å²	56	42.8 Å²	42.8	29%	0.287	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	-15.8	-179.5	59.6	164.9	0	0	0	113	V278 V288 Q290 V296	V278-I280 PolarHBondContact O-N 2.85Å; I280-V288 HydrophobicContact CD1-CG1 4.07Å; I280-V288 HydrophobicContact CG1-CB 4.42Å; I280-V288 HydrophobicContact CG1-CG1 3.88Å; I280-V288 WeakPolarHBondContact CG1-O 2.95Å; I280-V288 PolarHBondContact N-O 3.11Å; I280-Q290 HydrophobicContact CD1-CB 4.22Å; I280-Q290 HydrophobicContact CG2-CB 3.72Å; I280-V296 HydrophobicContact CD1-CG1 4.3Å; I280-V296 HydrophobicContact CD1-CG2 4.08Å
281	G	86.5	Confident	89.4	Confident	16 Å²	16	38.8 Å²	38.8	17%	0.165	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173	-177.8	179.1	0	0	0	0	0	112.3	K279 V288	K279-G281 WeakPolarHBondContact CE-O 3.43Å; G281-V288 PolarHBondContact N-O 3.09Å; G281-V288 PolarHBondContact O-N 2.95Å
282	E	85.9	Confident	89.6	Confident	44 Å²	44	36.9 Å²	36.9	21%	0.206	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	153.6	-176.8	58.9	-161.7	-152.4	0	0	110.1	K279 S374 D375	K279-E282 IonicContact NZ-OE2 2.62Å; K279-E282 PolarHBondContact NZ-OE2 3.38Å; E282-S374 PolarHBondContact OE2-OG 3.21Å; E282-D375 PolarHBondContact OE1-N 3.34Å
283	G	75.2	Confident	89.6	Confident	21 Å²	21	40.5 Å²	40.5	22%	0.216	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	174.1	169.9	0	0	0	0	0	110.1	Y285 G286 N376	G283-Y285 VanDerWaalsContact C-N 3.28Å; G283-Y285 PolarHBondContact O-N 3.35Å; G283-G286 PolarHBondContact N-O 2.98Å; G283-G286 PolarHBondContact O-N 2.8Å; G283-N376 PolarHBondContact O-ND2 3.41Å
284	V	72.5	Confident	89.6	Confident	13 Å²	13	40 Å²	40	8%	0.079	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-47.6	-176.3	177.8	0	0	0	0	112.5	A207 K210 N309 E311	A207-V284 HydrophobicContact CB-CG2 3.76Å; K210-V284 HydrophobicContact CB-CB 4.08Å; K210-V284 HydrophobicContact CB-CG2 3.71Å; K210-V284 HydrophobicContact CD-CB 4.33Å; K210-V284 HydrophobicContact CD-CG2 3.82Å; K210-V284 HydrophobicContact CG-CG2 4.33Å; V284-N309 PolarHBondContact O-ND2 3.36Å; V284-E311 HydrophobicContact CG1-CG 4.13Å
285	Y	73.9	Confident	89.6	Confident	24 Å²	24	40.2 Å²	40.2	9%	0.094	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-7.9	-174.7	-58.4	-71.3	0	0	0	114.2	K210 R211 N213 G283 F300 P301 M314	K210-Y285 HydrophobicContact CB-CE2 3.99Å; K210-Y285 WeakPolarHBondContact O-CE2 3.3Å; K210-Y285 PolarHBondContact O-OH 2.99Å; R211-Y285 WeakPolarHBondContact CA-OH 3.46Å; N213-Y285 PolarHBondContact OD1-OH 3.33Å; G283-Y285 VanDerWaalsContact C-N 3.28Å; G283-Y285 PolarHBondContact O-N 3.35Å; Y285-F300 VanDerWaalsContact O-CB 3.23Å; Y285-F300 WeakPolarHBondContact O-CB 3.36Å; Y285-P301 VanDerWaalsContact O-CD 3.29Å; Y285-P301 WeakPolarHBondContact O-CD 3.45Å; Y285-M314 HydrophobicContact CD1-CG 4.12Å; Y285-M314 HydrophobicContact CD2-SD 4.02Å; Y285-M314 HydrophobicContact CE1-CG 4.11Å; Y285-M314 HydrophobicContact CE2-SD 4.23Å; Y285-M314 HydrophobicContact CG-CG 4.34Å; Y285-M314 HydrophobicContact CG-SD 4.19Å
286	G	85.6	Confident	89.7	Confident	2 Å²	2	36 Å²	36	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.8	-156.6	-175.3	0	0	0	0	0	116	G283 I299 N376	G283-G286 PolarHBondContact N-O 2.98Å; G283-G286 PolarHBondContact O-N 2.8Å; G286-I299 WeakPolarHBondContact CA-O 3.43Å; G286-N376 PolarHBondContact O-ND2 3.27Å
287	E	93	Very high	89.7	Confident	7 Å²	7	32.6 Å²	32.6	3%	0.033	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	142.4	-156.7	-56.9	-55.5	144.7	0	0	111.1	K279 F289 K298 I299 W365 N376 L379	K279-E287 WeakPolarHBondContact CE-OE2 3.41Å; K279-E287 IonicContact NZ-OE2 3.84Å; K279-E287 PolarHBondContact NZ-OE2 3.38Å; E287-F289 HydrophobicContact CB-CD2 4.34Å; E287-F289 HydrophobicContact CB-CE2 3.47Å; E287-F289 VanDerWaalsContact CB-CE2 3.47Å; E287-F289 HydrophobicContact CB-CZ 3.85Å; E287-K298 CarbonylContact O-C 3.43Å; E287-K298 WeakPolarHBondContact O-CA 3.27Å; E287-I299 PolarHBondContact N-O 3.1Å; E287-I299 PolarHBondContact O-N 3.45Å; E287-W365 VanDerWaalsContact CD-CD1 3.5Å; E287-W365 PolarHBondContact OE1-NE1 3.41Å; E287-W365 VanDerWaalsContact OE2-CD1 3.23Å; E287-W365 PolarHBondContact OE2-NE1 3.03Å; E287-N376 PolarHBondContact OE1-ND2 3.04Å; E287-L379 HydrophobicContact CG-CD1 4.18Å
288	V	93	Very high	89.7	Confident	29 Å²	29	34.9 Å²	34.9	18%	0.176	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.5	-179.3	-172.5	0	0	0	0	109.8	K279 I280 G281 V296 V297 K298	K279-V288 WeakPolarHBondContact CA-O 3.06Å; I280-V288 HydrophobicContact CD1-CG1 4.07Å; I280-V288 HydrophobicContact CG1-CB 4.42Å; I280-V288 HydrophobicContact CG1-CG1 3.88Å; I280-V288 WeakPolarHBondContact CG1-O 2.95Å; I280-V288 PolarHBondContact N-O 3.11Å; G281-V288 PolarHBondContact N-O 3.09Å; G281-V288 PolarHBondContact O-N 2.95Å; V288-V296 HydrophobicContact CG1-CG1 3.42Å; V288-V296 VanDerWaalsContact CG1-CG1 3.42Å; V288-V297 WeakPolarHBondContact CA-O 3.5Å; V288-K298 HydrophobicContact CG2-CB 4.44Å; V288-K298 HydrophobicContact CG2-CG 4.33Å
289	F	95.4	Very high	89.7	Confident	3 Å²	3	31.3 Å²	31.3	1%	0.013	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	159.4	179.1	-57.3	-91.9	0	0	0	111.3	M277 V278 K279 E287 V296 V297 I299 L361	M277-F289 HydrophobicContact CB-CB 4.37Å; M277-F289 HydrophobicContact SD-CB 4.14Å; V278-F289 CarbonylContact O-C 3.59Å; V278-F289 VanDerWaalsContact O-CA 3.26Å; V278-F289 WeakPolarHBondContact O-CA 3.28Å; K279-F289 HydrophobicContact CB-CD1 3.89Å; K279-F289 HydrophobicContact CB-CE1 3.83Å; E287-F289 HydrophobicContact CB-CD2 4.34Å; E287-F289 HydrophobicContact CB-CE2 3.47Å; E287-F289 VanDerWaalsContact CB-CE2 3.47Å; E287-F289 HydrophobicContact CB-CZ 3.85Å; F289-V296 CarbonylContact O-C 3.56Å; F289-V296 WeakPolarHBondContact O-CA 3.49Å; F289-V297 HydrophobicContact CB-CB 4.42Å; F289-V297 PolarHBondContact N-O 2.84Å; F289-V297 PolarHBondContact O-N 3.05Å; F289-I299 HydrophobicContact CD2-CD1 3.87Å; F289-I299 HydrophobicContact CD2-CG1 4.24Å; F289-I299 HydrophobicContact CE2-CB 4.45Å; F289-I299 HydrophobicContact CE2-CD1 3.96Å; F289-I299 HydrophobicContact CE2-CG1 4.4Å; F289-L361 HydrophobicContact CD1-CD2 3.97Å; F289-L361 HydrophobicContact CE1-CB 4.12Å; F289-L361 HydrophobicContact CE1-CD2 3.96Å; F289-L361 HydrophobicContact CG-CD2 4.29Å; F289-L361 HydrophobicContact CZ-CB 4Å; F289-L361 HydrophobicContact CZ-CD2 4.27Å
290	Q	95.1	Very high	89.7	Confident	58 Å²	58	31 Å²	31	27%	0.271	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127	165.5	-170.4	169	43.2	0	0	109	M277 V278 I280 G294 N295	M277-Q290 WeakPolarHBondContact CA-O 3.29Å; V278-Q290 PolarHBondContact N-O 3.11Å; V278-Q290 PolarHBondContact O-N 2.92Å; I280-Q290 HydrophobicContact CD1-CB 4.22Å; I280-Q290 HydrophobicContact CG2-CB 3.72Å; Q290-G294 PolarHBondContact NE2-O 2.98Å; Q290-N295 CarbonylContact C-O 3.49Å; Q290-N295 WeakPolarHBondContact CA-O 3.33Å
291	S	94.6	Very high	89.9	Confident	7 Å²	7	28.5 Å²	28.5	5%	0.049	16%	0.159	C	C	.	.			trans	-75	161.2	173	69.7	0	0	0	0	111.5	K293 G294 N295	S291-K293 PolarHBondContact O-N 3.33Å; S291-K293 VanDerWaalsContact O-N 3.13Å; S291-G294 WeakPolarHBondContact O-CA 3.43Å; S291-G294 PolarHBondContact O-N 2.82Å; S291-N295 PolarHBondContact N-O 2.78Å; S291-N295 WeakPolarHBondContact OG-CB 3.38Å; S291-N295 PolarHBondContact OG-N 2.98Å; S291-N295 PolarHBondContact OG-O 2.94Å
292	P	92	Very high	90.3	Very high	77 Å²	77	27.8 Å²	27.8	50%	0.5	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-24.5	175.4	-24.8	36.3	0	0	0	113.8	G294	P292-G294 PolarHBondContact O-N 2.86Å
293	K	90.3	Very high	90.7	Very high	163 Å²	163	28.5 Å²	28.5	71%	0.709	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-2.1	175.2	-63.5	-179.4	-178.1	173.3	0	112.6	S291	S291-K293 PolarHBondContact O-N 3.33Å; S291-K293 VanDerWaalsContact O-N 3.13Å
294	G	91.4	Very high	91.6	Very high	25 Å²	25	28.4 Å²	28.4	26%	0.258	16%	0.155	S	C	.	.	S	Bend	trans	88.1	-6.3	-179.4	0	0	0	0	0	114.7	Q290 S291 P292 F395	Q290-G294 PolarHBondContact NE2-O 2.98Å; S291-G294 WeakPolarHBondContact O-CA 3.43Å; S291-G294 PolarHBondContact O-N 2.82Å; P292-G294 PolarHBondContact O-N 2.86Å; G294-F395 WeakPolarHBondContact O-CB 3.48Å
295	N	93.6	Very high	92.6	Very high	18 Å²	18	35.7 Å²	35.7	10%	0.096	19%	0.189	C	C	.	.			trans	-67.6	146.8	177.6	-60.8	-27.2	0	0	0	111.3	Q290 S291 K348 E392 S393	Q290-N295 CarbonylContact C-O 3.49Å; Q290-N295 WeakPolarHBondContact CA-O 3.33Å; S291-N295 PolarHBondContact N-O 2.78Å; S291-N295 WeakPolarHBondContact OG-CB 3.38Å; S291-N295 PolarHBondContact OG-N 2.98Å; S291-N295 PolarHBondContact OG-O 2.94Å; N295-K348 PolarHBondContact OD1-NZ 3.15Å; N295-E392 HydrophobicContact CB-CG 3.92Å; N295-E392 PolarHBondContact ND2-OE1 3.35Å; N295-S393 CarbonylContact C-O 3.57Å; N295-S393 WeakPolarHBondContact CA-O 3.34Å; N295-S393 WeakPolarHBondContact CB-O 3.28Å
296	V	94.3	Very high	93.5	Very high	29 Å²	29	38.1 Å²	38.1	18%	0.176	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.8	172.7	176.7	0	0	0	0	108.8	I280 V288 F289 E392 S393 F395	I280-V296 HydrophobicContact CD1-CG1 4.3Å; I280-V296 HydrophobicContact CD1-CG2 4.08Å; V288-V296 HydrophobicContact CG1-CG1 3.42Å; V288-V296 VanDerWaalsContact CG1-CG1 3.42Å; F289-V296 CarbonylContact O-C 3.56Å; F289-V296 WeakPolarHBondContact O-CA 3.49Å; V296-E392 CarbonylContact O-C 3.21Å; V296-E392 WeakPolarHBondContact O-CA 3.11Å; V296-S393 PolarHBondContact N-O 2.87Å; V296-S393 PolarHBondContact O-N 3.33Å; V296-F395 HydrophobicContact CG2-CB 4.1Å; V296-F395 HydrophobicContact CG2-CD2 3.93Å
297	V	95.4	Very high	93.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	106.4	-174.7	-176.4	0	0	0	0	108.4	F269 M277 V288 F289 I299 V390 L391 E392	F269-V297 HydrophobicContact CE1-CG1 4.43Å; F269-V297 HydrophobicContact CZ-CG1 3.88Å; M277-V297 HydrophobicContact CE-CG1 4.46Å; M277-V297 HydrophobicContact CE-CG2 4.01Å; V288-V297 WeakPolarHBondContact CA-O 3.5Å; F289-V297 HydrophobicContact CB-CB 4.42Å; F289-V297 PolarHBondContact N-O 2.84Å; F289-V297 PolarHBondContact O-N 3.05Å; V297-I299 HydrophobicContact CG1-CD1 4.06Å; V297-I299 HydrophobicContact CG1-CG1 3.86Å; V297-V390 HydrophobicContact CG1-CG1 3.58Å; V297-L391 CarbonylContact C-O 3.45Å; V297-L391 WeakPolarHBondContact CA-O 3.49Å; V297-E392 HydrophobicContact CG2-CG 4.27Å
298	K	94.4	Very high	93.6	Very high	56 Å²	56	42.6 Å²	42.6	24%	0.243	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	125.6	173.4	-179	-175.8	171.3	-167.2	0	108.7	E287 V288 F300 E322 V390 L391	E287-K298 CarbonylContact O-C 3.43Å; E287-K298 WeakPolarHBondContact O-CA 3.27Å; V288-K298 HydrophobicContact CG2-CB 4.44Å; V288-K298 HydrophobicContact CG2-CG 4.33Å; K298-F300 HydrophobicContact CD-CD1 4.33Å; K298-F300 HydrophobicContact CD-CE1 4.31Å; K298-F300 HydrophobicContact CG-CD1 4.09Å; K298-F300 HydrophobicContact CG-CE1 4.42Å; K298-E322 IonicContact NZ-OE1 3.54Å; K298-E322 PolarHBondContact NZ-OE1 3.2Å; K298-E322 IonicContact NZ-OE2 2.89Å; K298-V390 WeakPolarHBondContact O-CA 3.5Å; K298-L391 HydrophobicContact CB-CB 4.32Å; K298-L391 HydrophobicContact CD-CD1 4.43Å; K298-L391 PolarHBondContact N-O 3.36Å; K298-L391 PolarHBondContact O-N 3.02Å
299	I	95.7	Very high	93.3	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	126.2	-178.7	-54.9	178.6	0	0	0	108.3	F269 G286 E287 F289 V297 L361 W388 M389 V390	F269-I299 HydrophobicContact CE2-CD1 4.37Å; F269-I299 HydrophobicContact CZ-CD1 4.45Å; G286-I299 WeakPolarHBondContact CA-O 3.43Å; E287-I299 PolarHBondContact N-O 3.1Å; E287-I299 PolarHBondContact O-N 3.45Å; F289-I299 HydrophobicContact CD2-CD1 3.87Å; F289-I299 HydrophobicContact CD2-CG1 4.24Å; F289-I299 HydrophobicContact CE2-CB 4.45Å; F289-I299 HydrophobicContact CE2-CD1 3.96Å; F289-I299 HydrophobicContact CE2-CG1 4.4Å; V297-I299 HydrophobicContact CG1-CD1 4.06Å; V297-I299 HydrophobicContact CG1-CG1 3.86Å; I299-L361 HydrophobicContact CD1-CD1 3.67Å; I299-W388 HydrophobicContact CG2-CD2 4.48Å; I299-W388 HydrophobicContact CG2-CE3 3.8Å; I299-W388 HydrophobicContact CG2-CZ3 4.41Å; I299-M389 WeakPolarHBondContact CA-O 3.45Å; I299-V390 HydrophobicContact CG1-CG1 4.1Å; I299-V390 HydrophobicContact CG1-CG2 4.29Å; I299-V390 HydrophobicContact CG2-CG2 4.43Å
300	F	94.8	Very high	92.8	Very high	1 Å²	1	43 Å²	43	0%	0.004	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	143.7	176.1	54.9	-83.4	0	0	0	111	Y285 K298 V302 M314 V319 W388 M389 L391	Y285-F300 VanDerWaalsContact O-CB 3.23Å; Y285-F300 WeakPolarHBondContact O-CB 3.36Å; K298-F300 HydrophobicContact CD-CD1 4.33Å; K298-F300 HydrophobicContact CD-CE1 4.31Å; K298-F300 HydrophobicContact CG-CD1 4.09Å; K298-F300 HydrophobicContact CG-CE1 4.42Å; F300-V302 HydrophobicContact CD2-CG2 3.79Å; F300-V302 HydrophobicContact CE2-CG2 3.84Å; F300-M314 HydrophobicContact CE2-SD 4.2Å; F300-V319 HydrophobicContact CE2-CG1 4.12Å; F300-V319 HydrophobicContact CE2-CG2 3.86Å; F300-V319 HydrophobicContact CZ-CG1 4.1Å; F300-W388 CarbonylContact O-C 3.55Å; F300-W388 WeakPolarHBondContact O-CA 3.37Å; F300-M389 HydrophobicContact CD1-CB 4.2Å; F300-M389 HydrophobicContact CD2-CB 4Å; F300-M389 HydrophobicContact CE1-CB 3.75Å; F300-M389 HydrophobicContact CE1-CG 3.82Å; F300-M389 HydrophobicContact CE2-CB 3.52Å; F300-M389 HydrophobicContact CE2-CG 4.08Å; F300-M389 HydrophobicContact CG-CB 4.34Å; F300-M389 HydrophobicContact CZ-CB 3.4Å; F300-M389 VanDerWaalsContact CZ-CB 3.4Å; F300-M389 HydrophobicContact CZ-CG 3.48Å; F300-M389 VanDerWaalsContact CZ-CG 3.48Å; F300-M389 PolarHBondContact N-O 2.63Å; F300-M389 VanDerWaalsContact N-O 3.11Å; F300-M389 PolarHBondContact O-N 2.73Å; F300-L391 HydrophobicContact CE1-CD1 3.95Å; F300-L391 HydrophobicContact CE1-CG 4.25Å; F300-L391 HydrophobicContact CZ-CD1 4.44Å
301	P	96.4	Very high	92.2	Very high	4 Å²	4	41.5 Å²	41.5	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	146.9	178.8	33	-32.7	0	0	0	110.3	Y285 V308 Q313 L379 L382 Q386 Q387 W388	Y285-P301 VanDerWaalsContact O-CD 3.29Å; Y285-P301 WeakPolarHBondContact O-CD 3.45Å; P301-V308 HydrophobicContact CG-CB 4.19Å; P301-V308 HydrophobicContact CG-CG1 3.92Å; P301-V308 HydrophobicContact CG-CG2 3.67Å; P301-Q313 HydrophobicContact CB-CG 4.41Å; P301-Q313 HydrophobicContact CG-CG 4.25Å; P301-L379 HydrophobicContact CG-CD1 4.34Å; P301-L382 HydrophobicContact CB-CD1 3.73Å; P301-L382 HydrophobicContact CG-CD1 3.92Å; P301-Q386 HydrophobicContact CB-CG 4.18Å; P301-Q387 WeakPolarHBondContact CA-O 3.43Å; P301-W388 HydrophobicContact CB-CD2 4.31Å; P301-W388 HydrophobicContact CB-CE3 3.82Å; P301-W388 HydrophobicContact CB-CH2 4.42Å; P301-W388 HydrophobicContact CB-CZ3 3.89Å; P301-W388 HydrophobicContact CG-CE3 4.45Å; P301-W388 HydrophobicContact CG-CZ3 4.19Å
302	V	95	Very high	91.9	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.3	-173.7	-174.1	0	0	0	0	109	F300 G304 M314 F316 V319 Q386 Q387 M389	F300-V302 HydrophobicContact CD2-CG2 3.79Å; F300-V302 HydrophobicContact CE2-CG2 3.84Å; V302-G304 PolarHBondContact O-N 2.8Å; V302-G304 VanDerWaalsContact O-N 3.14Å; V302-M314 CarbonylContact C-O 3.58Å; V302-M314 WeakPolarHBondContact CA-O 3.44Å; V302-M314 WeakPolarHBondContact CG1-O 3.45Å; V302-F316 HydrophobicContact CB-CE1 4.16Å; V302-F316 HydrophobicContact CG1-CD1 3.5Å; V302-F316 VanDerWaalsContact CG1-CD1 3.5Å; V302-F316 HydrophobicContact CG1-CE1 3.54Å; V302-F316 HydrophobicContact CG1-CG 4.22Å; V302-F316 HydrophobicContact CG1-CZ 4.27Å; V302-V319 HydrophobicContact CG1-CG2 3.72Å; V302-V319 HydrophobicContact CG2-CG2 3.93Å; V302-Q386 PolarHBondContact O-NE2 3.41Å; V302-Q387 PolarHBondContact N-O 3.07Å; V302-M389 HydrophobicContact CG2-CB 3.73Å
303	D	93.5	Very high	91.9	Very high	59 Å²	59	45.3 Å²	45.3	32%	0.316	24%	0.236	S	C	.	.	S	Bend	trans	58.1	22	173	-151.6	22.4	0	0	0	115.9	M314 K315 F316	D303-M314 PolarHBondContact N-O 3.45Å; D303-K315 WeakPolarHBondContact OD1-CD 3.26Å; D303-K315 WeakPolarHBondContact OD1-CE 3.39Å; D303-K315 IonicContact OD1-NZ 2.86Å; D303-K315 PolarHBondContact OD1-NZ 3.21Å; D303-F316 HydrophobicContact CB-CD2 3.87Å; D303-F316 HydrophobicContact CB-CE2 3.49Å; D303-F316 VanDerWaalsContact CB-CE2 3.49Å; D303-F316 HydrophobicContact CB-CZ 3.89Å; D303-F316 VanDerWaalsContact OD2-CD2 3.29Å; D303-F316 WeakPolarHBondContact OD2-CD2 3.37Å; D303-F316 WeakPolarHBondContact OD2-CE2 3.38Å
304	G	94.1	Very high	91.8	Very high	18 Å²	18	38.2 Å²	38.2	19%	0.186	21%	0.205	C	C	.	.			trans	-91.4	157.9	169.7	0	0	0	0	0	113.2	V302	V302-G304 PolarHBondContact O-N 2.8Å; V302-G304 VanDerWaalsContact O-N 3.14Å
305	E	92.6	Very high	91.8	Very high	166 Å²	166	40.4 Å²	40.4	78%	0.776	21%	0.208	S	C	*	.	S	Bend	trans	-86.8	-22.9	179.7	-63.9	-61.9	141	0	0	113	K315	E305-K315 IonicContact OE1-NZ 2.8Å
306	D	93	Very high	91.8	Very high	76 Å²	76	40.1 Å²	40.1	41%	0.406	21%	0.206	S	C	.	.	S	Bend	trans	-69.6	137.1	179	-65.4	-56.7	0	0	0	111.2	Q313 F381 L382	D306-Q313 WeakPolarHBondContact O-CG 3.33Å; D306-Q313 PolarHBondContact O-NE2 3.24Å; D306-Q313 VanDerWaalsContact O-NE2 3.09Å; D306-F381 HydrophobicContact CB-CE2 4.33Å; D306-L382 HydrophobicContact CB-CD2 3.73Å
307	L	91.5	Very high	91.5	Very high	99 Å²	99	44.3 Å²	44.3	52%	0.518	22%	0.223	S	C	.	.			trans	-68	139.5	172	-64	177	0	0	0	110.3	E311 K312	L307-E311 CarbonylContact C-O 3.59Å; L307-E311 WeakPolarHBondContact CA-O 3.24Å; L307-K312 HydrophobicContact CD2-CG 3.93Å
308	V	89.5	Confident	91.1	Very high	4 Å²	4	46 Å²	46	2%	0.024	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-126.6	120.6	179.5	168	0	0	0	0	108.4	P301 G310 E311 Q313 L379 F381 L382	P301-V308 HydrophobicContact CG-CB 4.19Å; P301-V308 HydrophobicContact CG-CG1 3.92Å; P301-V308 HydrophobicContact CG-CG2 3.67Å; V308-G310 PolarHBondContact O-N 2.72Å; V308-G310 VanDerWaalsContact O-N 3.15Å; V308-E311 PolarHBondContact N-O 3.13Å; V308-E311 PolarHBondContact O-N 2.85Å; V308-Q313 HydrophobicContact CB-CG 4.37Å; V308-Q313 HydrophobicContact CG2-CG 3.89Å; V308-L379 HydrophobicContact CG1-CD1 4.23Å; V308-L379 HydrophobicContact CG1-CD2 3.6Å; V308-F381 HydrophobicContact CG2-CZ 4.32Å; V308-L382 HydrophobicContact CG2-CD1 4.05Å; V308-L382 HydrophobicContact CG2-CD2 4.27Å
309	N	87.3	Confident	90.9	Very high	10 Å²	10	43.3 Å²	43.3	5%	0.053	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	25.9	-173	-54.8	-43.7	0	0	0	113	V284 E311 N376 E377	V284-N309 PolarHBondContact O-ND2 3.36Å; N309-E311 VanDerWaalsContact C-N 3.33Å; N309-N376 VanDerWaalsContact CG-CG 3.48Å; N309-N376 VanDerWaalsContact ND2-CG 3.31Å; N309-N376 PolarHBondContact ND2-ND2 2.89Å; N309-N376 VanDerWaalsContact OD1-CA 3.3Å; N309-N376 WeakPolarHBondContact OD1-CA 3.2Å; N309-N376 VanDerWaalsContact OD1-CB 3.23Å; N309-N376 WeakPolarHBondContact OD1-CB 3.44Å; N309-E377 PolarHBondContact N-OE1 3.06Å; N309-E377 PolarHBondContact OD1-N 2.76Å
310	G	84.1	Confident	90.7	Very high	29 Å²	29	43.7 Å²	43.7	30%	0.299	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	4.4	-174.8	0	0	0	0	0	115.1	V308	V308-G310 PolarHBondContact O-N 2.72Å; V308-G310 VanDerWaalsContact O-N 3.15Å
311	E	83.3	Confident	90.5	Very high	28 Å²	28	43.8 Å²	43.8	13%	0.131	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-113.8	156	-178.8	-55.4	-60.9	156.4	0	0	110.9	S194 R211 V284 L307 V308 N309	S194-E311 PolarHBondContact OG-OE1 3.2Å; R211-E311 IonicContact CZ-OE1 2.84Å; R211-E311 IonicContact NE-OE1 2.73Å; R211-E311 PolarHBondContact NE-OE1 2.83Å; R211-E311 IonicContact NE-OE2 3.67Å; R211-E311 IonicContact NH2-OE1 2.74Å; R211-E311 PolarHBondContact NH2-OE1 3.19Å; R211-E311 VanDerWaalsContact NH2-OE1 3.16Å; V284-E311 HydrophobicContact CG1-CG 4.13Å; L307-E311 CarbonylContact C-O 3.59Å; L307-E311 WeakPolarHBondContact CA-O 3.24Å; V308-E311 PolarHBondContact N-O 3.13Å; V308-E311 PolarHBondContact O-N 2.85Å; N309-E311 VanDerWaalsContact C-N 3.33Å
312	K	88.8	Confident	90.1	Very high	157 Å²	157	44.5 Å²	44.5	68%	0.683	22%	0.224	S	C	*	.	P	Polyproline II helix	trans	-69	143.4	169.5	-69.6	-178.8	179.1	178.6	0	109.8	L307	L307-K312 HydrophobicContact CD2-CG 3.93Å
313	Q	90.7	Very high	90.1	Very high	7 Å²	7	44.4 Å²	44.4	3%	0.033	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-65.3	145.3	172.1	-55.7	-176.8	22.6	0	0	110.1	P301 D306 V308 Q386	P301-Q313 HydrophobicContact CB-CG 4.41Å; P301-Q313 HydrophobicContact CG-CG 4.25Å; D306-Q313 WeakPolarHBondContact O-CG 3.33Å; D306-Q313 PolarHBondContact O-NE2 3.24Å; D306-Q313 VanDerWaalsContact O-NE2 3.09Å; V308-Q313 HydrophobicContact CB-CG 4.37Å; V308-Q313 HydrophobicContact CG2-CG 3.89Å; Q313-Q386 VanDerWaalsContact NE2-OE1 3.08Å
314	M	89.3	Confident	90.1	Very high	13 Å²	13	41.6 Å²	41.6	6%	0.064	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-64	142.9	176	-65.2	177.8	70.7	0	0	110.3	Y285 F300 V302 D303 E318 V319	Y285-M314 HydrophobicContact CD1-CG 4.12Å; Y285-M314 HydrophobicContact CD2-SD 4.02Å; Y285-M314 HydrophobicContact CE1-CG 4.11Å; Y285-M314 HydrophobicContact CE2-SD 4.23Å; Y285-M314 HydrophobicContact CG-CG 4.34Å; Y285-M314 HydrophobicContact CG-SD 4.19Å; F300-M314 HydrophobicContact CE2-SD 4.2Å; V302-M314 CarbonylContact C-O 3.58Å; V302-M314 WeakPolarHBondContact CA-O 3.44Å; V302-M314 WeakPolarHBondContact CG1-O 3.45Å; D303-M314 PolarHBondContact N-O 3.45Å; M314-E318 WeakPolarHBondContact CA-OE2 3.41Å; M314-E318 HydrophobicContact CB-CB 4.37Å; M314-E318 HydrophobicContact CE-CB 3.87Å; M314-E318 WeakPolarHBondContact CE-O 3.25Å; M314-V319 HydrophobicContact CB-CG2 3.75Å; M314-V319 HydrophobicContact CE-CG2 4.07Å; M314-V319 HydrophobicContact SD-CG2 4.34Å
315	K	91.4	Very high	90.1	Very high	72 Å²	72	40.9 Å²	40.9	31%	0.313	20%	0.201	S	C	.	.	P	Polyproline II helix	trans	-80.3	157.4	168.6	-61.3	-64.8	176.6	177.7	0	110.4	D303 E305 E317 E318 V319	D303-K315 WeakPolarHBondContact OD1-CD 3.26Å; D303-K315 WeakPolarHBondContact OD1-CE 3.39Å; D303-K315 IonicContact OD1-NZ 2.86Å; D303-K315 PolarHBondContact OD1-NZ 3.21Å; E305-K315 IonicContact OE1-NZ 2.8Å; K315-E317 HydrophobicContact CB-CG 3.99Å; K315-E317 PolarHBondContact O-N 3.46Å; K315-E318 HydrophobicContact CB-CG 4.31Å; K315-E318 PolarHBondContact N-OE2 3.22Å; K315-E318 WeakPolarHBondContact O-CA 3.31Å; K315-E318 WeakPolarHBondContact O-CB 3.29Å; K315-E318 PolarHBondContact O-N 2.71Å; K315-V319 WeakPolarHBondContact O-CG2 3.31Å; K315-V319 PolarHBondContact O-N 3.05Å; K315-V319 VanDerWaalsContact O-N 3.11Å
316	F	92.7	Very high	90.2	Very high	11 Å²	11	33.9 Å²	33.9	5%	0.048	17%	0.17	C	C	.	.	H	α-helix	trans	-57	-37	-178.9	-70.1	-57.9	0	0	0	113.6	P249 L250 L253 V302 D303 E318 V319 Y320 V352 Q387	P249-F316 HydrophobicContact CB-CB 3.94Å; L250-F316 HydrophobicContact CB-CD2 3.93Å; L250-F316 HydrophobicContact CB-CE2 4.24Å; L250-F316 HydrophobicContact CB-CG 4.28Å; L250-F316 HydrophobicContact CD1-CD1 4.2Å; L250-F316 HydrophobicContact CD1-CD2 4.3Å; L250-F316 HydrophobicContact CD1-CE1 3.92Å; L250-F316 HydrophobicContact CD1-CE2 4.02Å; L250-F316 HydrophobicContact CD1-CG 4.38Å; L250-F316 HydrophobicContact CD1-CZ 3.81Å; L250-F316 HydrophobicContact CD2-CE2 4.41Å; L250-F316 HydrophobicContact CG-CE2 4.45Å; L253-F316 HydrophobicContact CD2-CB 4.44Å; L253-F316 HydrophobicContact CD2-CD1 3.55Å; L253-F316 HydrophobicContact CD2-CE1 4.27Å; L253-F316 HydrophobicContact CD2-CG 4.43Å; V302-F316 HydrophobicContact CB-CE1 4.16Å; V302-F316 HydrophobicContact CG1-CD1 3.5Å; V302-F316 VanDerWaalsContact CG1-CD1 3.5Å; V302-F316 HydrophobicContact CG1-CE1 3.54Å; V302-F316 HydrophobicContact CG1-CG 4.22Å; V302-F316 HydrophobicContact CG1-CZ 4.27Å; D303-F316 HydrophobicContact CB-CD2 3.87Å; D303-F316 HydrophobicContact CB-CE2 3.49Å; D303-F316 VanDerWaalsContact CB-CE2 3.49Å; D303-F316 HydrophobicContact CB-CZ 3.89Å; D303-F316 VanDerWaalsContact OD2-CD2 3.29Å; D303-F316 WeakPolarHBondContact OD2-CD2 3.37Å; D303-F316 WeakPolarHBondContact OD2-CE2 3.38Å; F316-E318 PolarHBondContact O-N 3.09Å; F316-V319 PolarHBondContact O-N 2.84Å; F316-Y320 PolarHBondContact O-N 2.79Å; F316-V352 HydrophobicContact CE1-CG1 3.98Å; F316-V352 HydrophobicContact CZ-CG1 4.49Å; F316-Q387 HydrophobicContact CZ-CB 4.16Å; F316-Q387 HydrophobicContact CZ-CG 4.43Å
317	E	88.2	Confident	90.4	Very high	117 Å²	117	33 Å²	33	55%	0.547	16%	0.164	S	C	.	.	H	α-helix	trans	-62.7	-28.5	174.3	59.3	-173.7	-146.5	0	0	113.4	P249 K315 P321	P249-E317 HydrophobicContact CB-CB 4.02Å; P249-E317 HydrophobicContact CG-CB 4.16Å; K315-E317 HydrophobicContact CB-CG 3.99Å; K315-E317 PolarHBondContact O-N 3.46Å; E317-P321 WeakPolarHBondContact O-CD 3.43Å
318	E	86.6	Confident	90.6	Very high	36 Å²	36	28.5 Å²	28.5	17%	0.168	14%	0.14	C	C	.	.	H	α-helix	trans	-83.9	-28.7	177.1	-58.4	175.6	124.8	0	0	111.8	N213 M314 K315 F316	N213-E318 WeakPolarHBondContact CB-OE1 3.4Å; M314-E318 WeakPolarHBondContact CA-OE2 3.41Å; M314-E318 HydrophobicContact CB-CB 4.37Å; M314-E318 HydrophobicContact CE-CB 3.87Å; M314-E318 WeakPolarHBondContact CE-O 3.25Å; K315-E318 HydrophobicContact CB-CG 4.31Å; K315-E318 PolarHBondContact N-OE2 3.22Å; K315-E318 WeakPolarHBondContact O-CA 3.31Å; K315-E318 WeakPolarHBondContact O-CB 3.29Å; K315-E318 PolarHBondContact O-N 2.71Å; F316-E318 PolarHBondContact O-N 3.09Å
319	V	90.6	Very high	91	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-76.6	-35.8	177	179	0	0	0	0	111.7	L253 F300 V302 M314 K315 F316 E322 V323 M389	L253-V319 HydrophobicContact CD1-CG1 4.3Å; L253-V319 HydrophobicContact CD2-CB 4.28Å; L253-V319 HydrophobicContact CD2-CG1 4.06Å; F300-V319 HydrophobicContact CE2-CG1 4.12Å; F300-V319 HydrophobicContact CE2-CG2 3.86Å; F300-V319 HydrophobicContact CZ-CG1 4.1Å; V302-V319 HydrophobicContact CG1-CG2 3.72Å; V302-V319 HydrophobicContact CG2-CG2 3.93Å; M314-V319 HydrophobicContact CB-CG2 3.75Å; M314-V319 HydrophobicContact CE-CG2 4.07Å; M314-V319 HydrophobicContact SD-CG2 4.34Å; K315-V319 WeakPolarHBondContact O-CG2 3.31Å; K315-V319 PolarHBondContact O-N 3.05Å; K315-V319 VanDerWaalsContact O-N 3.11Å; F316-V319 PolarHBondContact O-N 2.84Å; V319-E322 VanDerWaalsContact O-CB 3.31Å; V319-E322 WeakPolarHBondContact O-CB 3.23Å; V319-E322 PolarHBondContact O-N 3.28Å; V319-V323 HydrophobicContact CG1-CG2 4.12Å; V319-V323 PolarHBondContact O-N 3.1Å; V319-M389 HydrophobicContact CG1-CB 4.26Å; V319-M389 HydrophobicContact CG1-CG 3.85Å; V319-M389 HydrophobicContact CG1-SD 4.09Å
320	Y	92	Very high	91.5	Very high	9 Å²	9	28 Å²	28	4%	0.035	14%	0.138	C	C	.	.	H	α-helix	trans	-52.1	-49.6	-177.5	-179.5	-80.8	0	0	0	113.4	M217 Q243 K252 L253 L256 F316 E322 V323 F324	M217-Y320 HydrophobicContact CE-CE1 3.84Å; M217-Y320 HydrophobicContact SD-CD1 3.71Å; M217-Y320 HydrophobicContact SD-CE1 3.45Å; M217-Y320 WeakPolarHBondContact SD-CE1 3.5Å; Q243-Y320 PolarHBondContact O-OH 2.86Å; K252-Y320 HydrophobicContact CB-CD2 4.12Å; K252-Y320 HydrophobicContact CB-CE2 3.91Å; L253-Y320 HydrophobicContact CB-CD2 4.38Å; L253-Y320 HydrophobicContact CD1-CD2 4.44Å; L256-Y320 HydrophobicContact CB-CD2 4.38Å; L256-Y320 HydrophobicContact CB-CE2 3.88Å; L256-Y320 HydrophobicContact CD2-CD2 3.79Å; L256-Y320 HydrophobicContact CD2-CE1 4.43Å; L256-Y320 HydrophobicContact CD2-CE2 3.64Å; L256-Y320 HydrophobicContact CD2-CG 4.25Å; L256-Y320 HydrophobicContact CG-CE2 4.28Å; F316-Y320 PolarHBondContact O-N 2.79Å; Y320-E322 VanDerWaalsContact C-N 3.27Å; Y320-E322 PolarHBondContact O-N 2.75Å; Y320-V323 PolarHBondContact O-N 2.97Å; Y320-F324 HydrophobicContact CD1-CB 4.46Å; Y320-F324 HydrophobicContact CE1-CB 4.28Å; Y320-F324 HydrophobicContact CE1-CD2 4.23Å; Y320-F324 HydrophobicContact CE1-CG 4.47Å; Y320-F324 WeakPolarHBondContact O-CB 3.39Å; Y320-F324 PolarHBondContact O-N 2.77Å
321	P	90.4	Very high	92.1	Very high	3 Å²	3	27.1 Å²	27.1	2%	0.019	13%	0.126	C	C	.	.	H	α-helix	trans	-54.3	-36.4	173.6	-30.9	37.8	0	0	0	114.8	R215 M217 E317 V325 V486	R215-P321 HydrophobicContact CB-CB 4.1Å; R215-P321 HydrophobicContact CB-CG 4.31Å; M217-P321 HydrophobicContact CB-CG 4.21Å; E317-P321 WeakPolarHBondContact O-CD 3.43Å; P321-V325 WeakPolarHBondContact O-CB 3.39Å; P321-V325 VanDerWaalsContact O-CG2 3.25Å; P321-V325 WeakPolarHBondContact O-CG2 3.38Å; P321-V325 PolarHBondContact O-N 2.92Å; P321-V486 HydrophobicContact CB-CG1 3.86Å
322	E	88.7	Confident	92.8	Very high	19 Å²	19	25.9 Å²	25.9	9%	0.089	12%	0.12	C	C	.	.	H	α-helix	trans	-64.1	-47	179.1	-170.8	165.4	153	0	0	112	R215 K298 V319 Y320 S326 L391	R215-E322 VanDerWaalsContact NH1-CG 3.35Å; R215-E322 IonicContact NH1-OE2 3.32Å; K298-E322 IonicContact NZ-OE1 3.54Å; K298-E322 PolarHBondContact NZ-OE1 3.2Å; K298-E322 IonicContact NZ-OE2 2.89Å; V319-E322 VanDerWaalsContact O-CB 3.31Å; V319-E322 WeakPolarHBondContact O-CB 3.23Å; V319-E322 PolarHBondContact O-N 3.28Å; Y320-E322 VanDerWaalsContact C-N 3.27Å; Y320-E322 PolarHBondContact O-N 2.75Å; E322-S326 WeakPolarHBondContact O-CB 3.38Å; E322-S326 PolarHBondContact O-N 2.98Å; E322-S326 VanDerWaalsContact O-N 3.14Å; E322-S326 PolarHBondContact O-OG 3.16Å; E322-L391 HydrophobicContact CG-CD1 4.45Å
323	V	93.7	Very high	93.2	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-67.5	-44.1	179.4	-174.4	0	0	0	0	109.8	L253 L256 V319 Y320 S326 Q327 L347 A350 M389 L391	L253-V323 HydrophobicContact CD1-CB 4.32Å; L253-V323 HydrophobicContact CD1-CG2 3.84Å; L256-V323 HydrophobicContact CD2-CB 3.72Å; L256-V323 HydrophobicContact CD2-CG1 3.71Å; L256-V323 HydrophobicContact CG-CG1 3.98Å; V319-V323 HydrophobicContact CG1-CG2 4.12Å; V319-V323 PolarHBondContact O-N 3.1Å; Y320-V323 PolarHBondContact O-N 2.97Å; V323-S326 PolarHBondContact O-N 3.04Å; V323-Q327 WeakPolarHBondContact O-CB 3.33Å; V323-Q327 PolarHBondContact O-N 2.98Å; V323-L347 HydrophobicContact CG1-CD2 4.46Å; V323-A350 HydrophobicContact CG1-CB 3.72Å; V323-M389 HydrophobicContact CG2-CE 3.53Å; V323-M389 HydrophobicContact CG2-SD 4.43Å; V323-L391 HydrophobicContact CG2-CD2 4.17Å
324	F	94.1	Very high	93.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-59.2	-52.8	-179	-177.6	-93.2	0	0	0	111	M217 L256 Y320 S326 Q327 K328 L479 H481 N484 V486	M217-F324 HydrophobicContact CE-CD1 3.9Å; M217-F324 HydrophobicContact CE-CD2 3.88Å; M217-F324 HydrophobicContact CE-CE1 3.75Å; M217-F324 HydrophobicContact CE-CE2 3.74Å; M217-F324 HydrophobicContact CE-CG 3.95Å; M217-F324 HydrophobicContact CE-CZ 3.66Å; M217-F324 HydrophobicContact SD-CD1 4.44Å; M217-F324 HydrophobicContact SD-CG 4.41Å; L256-F324 HydrophobicContact CD1-CD2 4.29Å; L256-F324 HydrophobicContact CD2-CB 4.02Å; Y320-F324 HydrophobicContact CD1-CB 4.46Å; Y320-F324 HydrophobicContact CE1-CB 4.28Å; Y320-F324 HydrophobicContact CE1-CD2 4.23Å; Y320-F324 HydrophobicContact CE1-CG 4.47Å; Y320-F324 WeakPolarHBondContact O-CB 3.39Å; Y320-F324 PolarHBondContact O-N 2.77Å; F324-S326 PolarHBondContact O-N 2.92Å; F324-Q327 PolarHBondContact O-N 2.85Å; F324-K328 HydrophobicContact CD1-CG 4.16Å; F324-K328 HydrophobicContact CE1-CG 3.89Å; F324-K328 HydrophobicContact CE2-CG 4.39Å; F324-K328 HydrophobicContact CZ-CD 4.37Å; F324-K328 VanDerWaalsContact CZ-CE 3.49Å; F324-K328 HydrophobicContact CZ-CG 4.02Å; F324-K328 WeakPolarHBondContact O-CG 3.33Å; F324-K328 PolarHBondContact O-N 2.83Å; F324-L479 HydrophobicContact CD1-CD1 4.48Å; F324-L479 HydrophobicContact CE1-CD1 4Å; F324-H481 HydrophobicContact CE1-CB 4.26Å; F324-H481 HydrophobicContact CZ-CB 4.07Å; F324-N484 HydrophobicContact CZ-CB 4.26Å; F324-V486 HydrophobicContact CD1-CG2 3.75Å; F324-V486 HydrophobicContact CE1-CG2 3.98Å
325	V	94.4	Very high	93.7	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.012	14%	0.142	C	C	.	.	H	α-helix	trans	-59.5	-47.1	179	169.7	0	0	0	0	111.2	P321 Q327 K328 L329 F474 L479 V486	P321-V325 WeakPolarHBondContact O-CB 3.39Å; P321-V325 VanDerWaalsContact O-CG2 3.25Å; P321-V325 WeakPolarHBondContact O-CG2 3.38Å; P321-V325 PolarHBondContact O-N 2.92Å; V325-Q327 VanDerWaalsContact C-N 3.31Å; V325-Q327 PolarHBondContact O-N 2.8Å; V325-K328 PolarHBondContact O-N 2.62Å; V325-L329 HydrophobicContact CG1-CD1 3.76Å; V325-L329 HydrophobicContact CG1-CG 4.4Å; V325-L329 WeakPolarHBondContact O-CB 3.35Å; V325-L329 WeakPolarHBondContact O-CG 3.23Å; V325-L329 PolarHBondContact O-N 3.22Å; V325-F474 HydrophobicContact CG1-CB 3.61Å; V325-F474 HydrophobicContact CG1-CD2 4.12Å; V325-F474 HydrophobicContact CG1-CG 4.01Å; V325-L479 HydrophobicContact CB-CD2 4.18Å; V325-L479 HydrophobicContact CG1-CD2 3.85Å; V325-L479 HydrophobicContact CG2-CD2 3.89Å; V325-L479 HydrophobicContact CG2-CG 4.18Å; V325-V486 HydrophobicContact CG2-CB 4.06Å; V325-V486 HydrophobicContact CG2-CG1 3.68Å; V325-V486 HydrophobicContact CG2-CG2 4.44Å
326	S	94.8	Very high	93.9	Very high	19 Å²	19	29.5 Å²	29.5	13%	0.133	13%	0.134	C	C	.	.	H	α-helix	trans	-61	-40.5	-179.5	-59.7	0	0	0	0	112.1	E322 V323 F324 S330	E322-S326 WeakPolarHBondContact O-CB 3.38Å; E322-S326 PolarHBondContact O-N 2.98Å; E322-S326 VanDerWaalsContact O-N 3.14Å; E322-S326 PolarHBondContact O-OG 3.16Å; V323-S326 PolarHBondContact O-N 3.04Å; F324-S326 PolarHBondContact O-N 2.92Å; S326-S330 WeakPolarHBondContact O-CB 3.45Å; S326-S330 PolarHBondContact O-N 2.92Å; S326-S330 PolarHBondContact O-OG 2.84Å
327	Q	95.8	Very high	94	Very high	57 Å²	57	39.3 Å²	39.3	27%	0.266	17%	0.17	S	C	.	.	H	α-helix	trans	-67.1	-48.6	176.4	-175.6	174.3	-7.4	0	0	111.6	V323 F324 V325 L329 S330 E331 L347	V323-Q327 WeakPolarHBondContact O-CB 3.33Å; V323-Q327 PolarHBondContact O-N 2.98Å; F324-Q327 PolarHBondContact O-N 2.85Å; V325-Q327 VanDerWaalsContact C-N 3.31Å; V325-Q327 PolarHBondContact O-N 2.8Å; Q327-L329 VanDerWaalsContact C-N 3.33Å; Q327-L329 PolarHBondContact O-N 2.91Å; Q327-S330 WeakPolarHBondContact O-CB 3.37Å; Q327-S330 PolarHBondContact O-N 2.8Å; Q327-S330 VanDerWaalsContact O-N 3.15Å; Q327-E331 WeakPolarHBondContact O-CG 3.41Å; Q327-E331 PolarHBondContact O-N 3.48Å; Q327-L347 HydrophobicContact CB-CD2 4.46Å
328	K	96.2	Very high	94.4	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.026	17%	0.174	C	C	.	.	H	α-helix	trans	-63	-38	-179.2	-63.8	-53.9	176.1	174.8	0	112.8	F324 V325 E331 L429 H481	F324-K328 HydrophobicContact CD1-CG 4.16Å; F324-K328 HydrophobicContact CE1-CG 3.89Å; F324-K328 HydrophobicContact CE2-CG 4.39Å; F324-K328 HydrophobicContact CZ-CD 4.37Å; F324-K328 VanDerWaalsContact CZ-CE 3.49Å; F324-K328 HydrophobicContact CZ-CG 4.02Å; F324-K328 WeakPolarHBondContact O-CG 3.33Å; F324-K328 PolarHBondContact O-N 2.83Å; V325-K328 PolarHBondContact O-N 2.62Å; K328-E331 WeakPolarHBondContact CD-OE2 3.45Å; K328-E331 WeakPolarHBondContact O-CB 3.48Å; K328-E331 PolarHBondContact O-N 3.42Å; K328-L429 HydrophobicContact CB-CD1 4.17Å; K328-H481 WeakPolarHBondContact CE-CD2 3.31Å; K328-H481 PolarHBondContact NZ-CD2 2.93Å; K328-H481 PolarHBondContact NZ-NE2 3.16Å
329	L	97.7	Very high	94.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-70.5	-36.4	174.5	-68.5	174	0	0	0	112.1	V325 Q327 E331 L332 F344 A425 L429 F431 F474 L479	V325-L329 HydrophobicContact CG1-CD1 3.76Å; V325-L329 HydrophobicContact CG1-CG 4.4Å; V325-L329 WeakPolarHBondContact O-CB 3.35Å; V325-L329 WeakPolarHBondContact O-CG 3.23Å; V325-L329 PolarHBondContact O-N 3.22Å; Q327-L329 VanDerWaalsContact C-N 3.33Å; Q327-L329 PolarHBondContact O-N 2.91Å; L329-E331 VanDerWaalsContact C-N 3.31Å; L329-E331 PolarHBondContact O-N 3.48Å; L329-L332 HydrophobicContact CD2-CD1 3.96Å; L329-L332 WeakPolarHBondContact O-CB 3.31Å; L329-L332 PolarHBondContact O-N 2.98Å; L329-F344 HydrophobicContact CB-CB 4.09Å; L329-F344 HydrophobicContact CB-CD1 4.31Å; L329-F344 HydrophobicContact CB-CG 4.12Å; L329-F344 HydrophobicContact CD1-CD1 4.17Å; L329-F344 HydrophobicContact CD2-CD1 4.15Å; L329-F344 HydrophobicContact CD2-CE1 4.07Å; L329-F344 HydrophobicContact CD2-CE2 4.48Å; L329-F344 HydrophobicContact CD2-CG 4.38Å; L329-F344 HydrophobicContact CD2-CZ 4.25Å; L329-F344 HydrophobicContact CG-CD1 4.46Å; L329-A425 HydrophobicContact CD2-CB 4.37Å; L329-L429 HydrophobicContact CD2-CD1 4.1Å; L329-F431 HydrophobicContact CD1-CD2 4.37Å; L329-F431 HydrophobicContact CD1-CE2 3.71Å; L329-F431 HydrophobicContact CD1-CZ 4.1Å; L329-F431 HydrophobicContact CD2-CD2 3.87Å; L329-F431 HydrophobicContact CD2-CE2 3.97Å; L329-F431 HydrophobicContact CD2-CG 4.22Å; L329-F431 HydrophobicContact CD2-CZ 4.41Å; L329-F431 HydrophobicContact CG-CE2 4.41Å; L329-F474 HydrophobicContact CB-CE2 4.49Å; L329-F474 HydrophobicContact CD1-CB 4.47Å; L329-F474 HydrophobicContact CD1-CD1 3.55Å; L329-F474 HydrophobicContact CD1-CD2 3.65Å; L329-F474 HydrophobicContact CD1-CE1 3.55Å; L329-F474 HydrophobicContact CD1-CE2 3.65Å; L329-F474 HydrophobicContact CD1-CG 3.6Å; L329-F474 HydrophobicContact CD1-CZ 3.6Å; L329-L479 HydrophobicContact CG-CD2 4.5Å
330	S	97.2	Very high	95.3	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.028	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-39.9	172.7	-61.2	0	0	0	0	111.7	S326 Q327 L332 A333 A345 Q346 L347	S326-S330 WeakPolarHBondContact O-CB 3.45Å; S326-S330 PolarHBondContact O-N 2.92Å; S326-S330 PolarHBondContact O-OG 2.84Å; Q327-S330 WeakPolarHBondContact O-CB 3.37Å; Q327-S330 PolarHBondContact O-N 2.8Å; Q327-S330 VanDerWaalsContact O-N 3.15Å; S330-L332 PolarHBondContact O-N 2.82Å; S330-L332 VanDerWaalsContact O-N 3.15Å; S330-A333 WeakPolarHBondContact O-CB 3.48Å; S330-A333 PolarHBondContact O-N 3.4Å; S330-A333 VanDerWaalsContact O-N 3.11Å; S330-A345 PolarHBondContact OG-O 3.02Å; S330-A345 VanDerWaalsContact OG-O 3.13Å; S330-Q346 PolarHBondContact O-OE1 3.07Å; S330-L347 PolarHBondContact OG-N 2.73Å
331	E	97.3	Very high	95.6	Very high	10 Å²	10	43.8 Å²	43.8	5%	0.047	18%	0.181	C	C	.	.	H	α-helix	trans	-61.3	-21	178.4	-74.8	177.9	165.7	0	0	113.6	Q327 K328 L329 A333 Y334 K335 Y336	Q327-E331 WeakPolarHBondContact O-CG 3.41Å; Q327-E331 PolarHBondContact O-N 3.48Å; K328-E331 WeakPolarHBondContact CD-OE2 3.45Å; K328-E331 WeakPolarHBondContact O-CB 3.48Å; K328-E331 PolarHBondContact O-N 3.42Å; L329-E331 VanDerWaalsContact C-N 3.31Å; L329-E331 PolarHBondContact O-N 3.48Å; E331-A333 PolarHBondContact O-N 3.15Å; E331-A333 VanDerWaalsContact O-N 3.11Å; E331-Y334 HydrophobicContact CG-CE2 4.37Å; E331-Y334 PolarHBondContact O-N 2.77Å; E331-Y334 VanDerWaalsContact O-N 3.15Å; E331-K335 HydrophobicContact CB-CB 3.92Å; E331-K335 HydrophobicContact CB-CD 3.93Å; E331-K335 HydrophobicContact CG-CB 4.41Å; E331-K335 HydrophobicContact CG-CD 3.79Å; E331-K335 WeakPolarHBondContact O-CB 3.41Å; E331-K335 PolarHBondContact O-N 3.43Å; E331-K335 IonicContact OE1-NZ 3.18Å; E331-K335 PolarHBondContact OE1-NZ 3.13Å; E331-K335 WeakPolarHBondContact OE2-CD 3.39Å; E331-K335 IonicContact OE2-NZ 2.99Å; E331-K335 PolarHBondContact OE2-NZ 3.25Å; E331-Y336 HydrophobicContact CB-CE2 3.81Å
332	L	97.5	Very high	95.9	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22	172.7	-73.1	169.8	0	0	0	113.2	L329 S330 Y334 Y336 N339 R340 S341 F344 A425 A428 L429	L329-L332 HydrophobicContact CD2-CD1 3.96Å; L329-L332 WeakPolarHBondContact O-CB 3.31Å; L329-L332 PolarHBondContact O-N 2.98Å; S330-L332 PolarHBondContact O-N 2.82Å; S330-L332 VanDerWaalsContact O-N 3.15Å; L332-Y334 VanDerWaalsContact C-N 3.33Å; L332-Y334 PolarHBondContact O-N 3.45Å; L332-Y336 HydrophobicContact CD2-CD2 3.77Å; L332-Y336 HydrophobicContact CD2-CE2 4.07Å; L332-Y336 HydrophobicContact CD2-CG 4.25Å; L332-Y336 HydrophobicContact CG-CD2 4.31Å; L332-Y336 HydrophobicContact CG-CE2 4.32Å; L332-N339 HydrophobicContact CD2-CB 4.4Å; L332-R340 VanDerWaalsContact O-CA 3.27Å; L332-R340 WeakPolarHBondContact O-CA 3.39Å; L332-R340 WeakPolarHBondContact O-CG 3.41Å; L332-S341 CarbonylContact C-O 3.57Å; L332-S341 PolarHBondContact O-N 3.5Å; L332-S341 VanDerWaalsContact O-N 3.12Å; L332-F344 HydrophobicContact CD1-CD2 3.79Å; L332-F344 HydrophobicContact CD1-CE2 3.59Å; L332-F344 HydrophobicContact CD1-CZ 4.44Å; L332-A425 HydrophobicContact CD1-CB 3.71Å; L332-A428 HydrophobicContact CD2-CB 3.64Å; L332-L429 HydrophobicContact CD1-CD1 4.23Å; L332-L429 HydrophobicContact CG-CD1 4.32Å
333	A	97.4	Very high	96.4	Very high	14 Å²	14	43.9 Å²	43.9	12%	0.116	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-25.9	179.3	0	0	0	0	0	113.5	S330 E331 R340 S341 V342	S330-A333 WeakPolarHBondContact O-CB 3.48Å; S330-A333 PolarHBondContact O-N 3.4Å; S330-A333 VanDerWaalsContact O-N 3.11Å; E331-A333 PolarHBondContact O-N 3.15Å; E331-A333 VanDerWaalsContact O-N 3.11Å; A333-R340 PolarHBondContact O-NE 2.79Å; A333-R340 VanDerWaalsContact O-NE 3.09Å; A333-R340 PolarHBondContact O-NH2 2.91Å; A333-S341 WeakPolarHBondContact CA-O 3.44Å; A333-S341 PolarHBondContact N-O 3.46Å; A333-S341 VanDerWaalsContact N-O 3.12Å; A333-V342 HydrophobicContact CB-CG1 4.12Å
334	Y	96	Very high	96.6	Very high	164 Å²	164	43.9 Å²	43.9	64%	0.643	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-144.6	-27.7	-168	60.1	-92.3	0	0	0	116.6	E331 L332	E331-Y334 HydrophobicContact CG-CE2 4.37Å; E331-Y334 PolarHBondContact O-N 2.77Å; E331-Y334 VanDerWaalsContact O-N 3.15Å; L332-Y334 VanDerWaalsContact C-N 3.33Å; L332-Y334 PolarHBondContact O-N 3.45Å
335	K	95.2	Very high	96.7	Very high	110 Å²	110	44.9 Å²	44.9	48%	0.478	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-39.3	-168.7	-166.7	177.4	-178.7	179.6	0	113.7	E331	E331-K335 HydrophobicContact CB-CB 3.92Å; E331-K335 HydrophobicContact CB-CD 3.93Å; E331-K335 HydrophobicContact CG-CB 4.41Å; E331-K335 HydrophobicContact CG-CD 3.79Å; E331-K335 WeakPolarHBondContact O-CB 3.41Å; E331-K335 PolarHBondContact O-N 3.43Å; E331-K335 IonicContact OE1-NZ 3.18Å; E331-K335 PolarHBondContact OE1-NZ 3.13Å; E331-K335 WeakPolarHBondContact OE2-CD 3.39Å; E331-K335 IonicContact OE2-NZ 2.99Å; E331-K335 PolarHBondContact OE2-NZ 3.25Å
336	Y	94.5	Very high	96.8	Very high	38 Å²	38	46.4 Å²	46.4	15%	0.149	20%	0.199	C	C	.	.			trans	-82.4	123.2	-171.4	-62.4	-93.2	0	0	0	112.1	E331 L332 N339 A428 L429 R454 H481	E331-Y336 HydrophobicContact CB-CE2 3.81Å; L332-Y336 HydrophobicContact CD2-CD2 3.77Å; L332-Y336 HydrophobicContact CD2-CE2 4.07Å; L332-Y336 HydrophobicContact CD2-CG 4.25Å; L332-Y336 HydrophobicContact CG-CD2 4.31Å; L332-Y336 HydrophobicContact CG-CE2 4.32Å; Y336-N339 CarbonylContact C-O 3.37Å; Y336-N339 WeakPolarHBondContact CB-O 3.49Å; Y336-A428 HydrophobicContact CD1-CB 4.16Å; Y336-A428 HydrophobicContact CE1-CB 4.38Å; Y336-A428 HydrophobicContact CG-CB 4.49Å; Y336-L429 HydrophobicContact CE1-CD2 4.41Å; Y336-L429 WeakPolarHBondContact OH-CD2 3.42Å; Y336-R454 PolarHBondContact O-NH2 2.67Å; Y336-H481 PolarHBondContact OH-CE1 2.67Å; Y336-H481 VanDerWaalsContact OH-CE1 3.23Å; Y336-H481 PolarHBondContact OH-ND1 3.26Å
337	R	94.9	Very high	96.9	Very high	216 Å²	216	46.9 Å²	46.9	82%	0.815	20%	0.2	S	C	*	.	S	Bend	trans	-74.1	-27.7	179.5	-177.6	-176.8	161.2	117.9	1	113.4	R454	R337-R454 VanDerWaalsContact C-CZ 3.43Å; R337-R454 WeakPolarHBondContact O-CD 3.44Å; R337-R454 PolarHBondContact O-NE 2.93Å; R337-R454 PolarHBondContact O-NH1 2.87Å; R337-R454 PolarHBondContact O-NH2 2.73Å; R337-R454 VanDerWaalsContact O-NH2 3.13Å
338	R	97	Very high	96.9	Very high	166 Å²	166	49.2 Å²	49.2	63%	0.626	21%	0.209	S	C	*	.	S	Bend	trans	-103.6	-13.4	-179.5	-65.9	-173.4	69.8	155.5	-0.3	113.5	R454 G456 G457	R338-R454 VanDerWaalsContact O-CG 3.31Å; R338-R454 WeakPolarHBondContact O-CG 3.32Å; R338-G456 PolarHBondContact NE-O 3.41Å; R338-G456 PolarHBondContact NH2-O 2.89Å; R338-G456 PolarHBondContact O-N 3.23Å; R338-G457 PolarHBondContact O-N 3.38Å
339	N	98.4	Very high	96.8	Very high	11 Å²	11	53.3 Å²	53.3	6%	0.059	22%	0.224	C	C	.	.			trans	-131.7	138.6	-176.3	-67.3	-50.6	0	0	0	109.4	L332 Y336 S427 A428 R454 G456	L332-N339 HydrophobicContact CD2-CB 4.4Å; Y336-N339 CarbonylContact C-O 3.37Å; Y336-N339 WeakPolarHBondContact CB-O 3.49Å; N339-S427 PolarHBondContact ND2-O 3.29Å; N339-S427 PolarHBondContact ND2-OG 2.65Å; N339-S427 VanDerWaalsContact OD1-CB 3.29Å; N339-S427 WeakPolarHBondContact OD1-CB 3.37Å; N339-S427 PolarHBondContact OD1-OG 3.19Å; N339-S427 VanDerWaalsContact OD1-OG 3.07Å; N339-A428 HydrophobicContact CB-CB 3.68Å; N339-A428 WeakPolarHBondContact ND2-CA 3.32Å; N339-A428 PolarHBondContact ND2-N 3.24Å; N339-R454 CarbonylContact C-O 3.58Å; N339-R454 VanDerWaalsContact CA-O 3.24Å; N339-R454 WeakPolarHBondContact CA-O 3.4Å; N339-G456 PolarHBondContact OD1-N 2.9Å
340	R	98.2	Very high	96.8	Very high	79 Å²	79	53.8 Å²	53.8	30%	0.298	23%	0.228	S	C	.	.	B	Isolated β-bridge	trans	-152.5	128.9	178.2	-171.6	-176.5	-175.6	-93.2	-2.3	111.3	L332 A333 V342 R452 Y453 R454	L332-R340 VanDerWaalsContact O-CA 3.27Å; L332-R340 WeakPolarHBondContact O-CA 3.39Å; L332-R340 WeakPolarHBondContact O-CG 3.41Å; A333-R340 PolarHBondContact O-NE 2.79Å; A333-R340 VanDerWaalsContact O-NE 3.09Å; A333-R340 PolarHBondContact O-NH2 2.91Å; R340-V342 VanDerWaalsContact NH2-CG1 3.26Å; R340-R452 PolarHBondContact NH1-O 2.82Å; R340-Y453 WeakPolarHBondContact O-CA 3.44Å; R340-R454 HydrophobicContact CB-CB 3.87Å; R340-R454 PolarHBondContact N-O 2.79Å; R340-R454 PolarHBondContact O-N 2.81Å
341	S	98.4	Very high	96.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	23%	0.228	C	C	.	.			trans	-144.7	147.3	165	173.8	0	0	0	0	110.4	L332 A333 N343 S421	L332-S341 CarbonylContact C-O 3.57Å; L332-S341 PolarHBondContact O-N 3.5Å; L332-S341 VanDerWaalsContact O-N 3.12Å; A333-S341 WeakPolarHBondContact CA-O 3.44Å; A333-S341 PolarHBondContact N-O 3.46Å; A333-S341 VanDerWaalsContact N-O 3.12Å; S341-N343 PolarHBondContact OG-N 3.26Å; S341-S421 VanDerWaalsContact OG-CB 3.23Å; S341-S421 WeakPolarHBondContact OG-CB 3.33Å; S341-S421 PolarHBondContact OG-OG 3.22Å
342	V	97.5	Very high	96.8	Very high	24 Å²	24	53.4 Å²	53.4	15%	0.145	23%	0.226	C	C	.	.	S	Bend	trans	-113.1	10.2	177.2	-62.5	0	0	0	0	112.6	A333 R340 L451	A333-V342 HydrophobicContact CB-CG1 4.12Å; R340-V342 VanDerWaalsContact NH2-CG1 3.26Å; V342-L451 HydrophobicContact CG2-CD1 4.36Å; V342-L451 HydrophobicContact CG2-CD2 4.08Å
343	N	98.5	Very high	96.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	23%	0.226	C	C	.	.			trans	-107.9	18.4	-171.8	-57.4	83.6	0	0	0	112.4	S341 Q417 S421 Y453 V469 T470 I471	S341-N343 PolarHBondContact OG-N 3.26Å; N343-Q417 PolarHBondContact ND2-OE1 2.84Å; N343-S421 WeakPolarHBondContact CB-OG 3.31Å; N343-Y453 WeakPolarHBondContact OD1-CE1 3.45Å; N343-Y453 VanDerWaalsContact OD1-CZ 3.23Å; N343-Y453 PolarHBondContact OD1-OH 2.76Å; N343-V469 WeakPolarHBondContact CB-O 3.33Å; N343-V469 PolarHBondContact ND2-O 2.96Å; N343-T470 CarbonylContact O-C 3.55Å; N343-T470 WeakPolarHBondContact O-CA 3.21Å; N343-I471 PolarHBondContact O-N 2.99Å
344	F	98.2	Very high	96.9	Very high	1 Å²	1	58.6 Å²	58.6	0%	0.004	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-97	148.1	163.2	-67.3	-79.7	0	0	0	109.4	L329 L332 Q346 S421 A425 F431 I471 F474	L329-F344 HydrophobicContact CB-CB 4.09Å; L329-F344 HydrophobicContact CB-CD1 4.31Å; L329-F344 HydrophobicContact CB-CG 4.12Å; L329-F344 HydrophobicContact CD1-CD1 4.17Å; L329-F344 HydrophobicContact CD2-CD1 4.15Å; L329-F344 HydrophobicContact CD2-CE1 4.07Å; L329-F344 HydrophobicContact CD2-CE2 4.48Å; L329-F344 HydrophobicContact CD2-CG 4.38Å; L329-F344 HydrophobicContact CD2-CZ 4.25Å; L329-F344 HydrophobicContact CG-CD1 4.46Å; L332-F344 HydrophobicContact CD1-CD2 3.79Å; L332-F344 HydrophobicContact CD1-CE2 3.59Å; L332-F344 HydrophobicContact CD1-CZ 4.44Å; F344-Q346 PolarHBondContact O-N 3.11Å; F344-Q346 VanDerWaalsContact O-N 3.16Å; F344-Q346 PolarHBondContact O-NE2 3.15Å; F344-S421 WeakPolarHBondContact CE2-O 3.44Å; F344-A425 HydrophobicContact CE2-CB 3.86Å; F344-A425 HydrophobicContact CZ-CB 3.58Å; F344-F431 HydrophobicContact CE1-CD1 4.48Å; F344-F431 AromaticContact CE1-CE1 3.88Å; F344-F431 HydrophobicContact CE1-CE1 3.88Å; F344-F431 HydrophobicContact CE1-CZ 4.2Å; F344-F431 HydrophobicContact CZ-CD1 4.45Å; F344-F431 HydrophobicContact CZ-CE1 4.25Å; F344-I471 HydrophobicContact CD1-CB 4Å; F344-I471 HydrophobicContact CD1-CD1 4.49Å; F344-I471 HydrophobicContact CD1-CG2 4.2Å; F344-I471 HydrophobicContact CE1-CB 4.2Å; F344-I471 HydrophobicContact CE1-CD1 3.99Å; F344-I471 HydrophobicContact CE1-CG2 4.16Å; F344-I471 HydrophobicContact CZ-CD1 4.28Å; F344-F474 HydrophobicContact CB-CZ 4.35Å; F344-F474 AromaticContact CD1-CE1 3.87Å; F344-F474 HydrophobicContact CD1-CE1 3.87Å; F344-F474 AromaticContact CD1-CZ 3.99Å; F344-F474 HydrophobicContact CD1-CZ 3.99Å; F344-F474 HydrophobicContact CE1-CE1 4.49Å
345	A	96	Very high	96.9	Very high	21 Å²	21	51.5 Å²	51.5	17%	0.174	22%	0.219	C	C	.	.			trans	-47.8	122.7	173.8	0	0	0	0	0	110.7	S330 L347 T470 I471 I472 F474	S330-A345 PolarHBondContact OG-O 3.02Å; S330-A345 VanDerWaalsContact OG-O 3.13Å; A345-L347 PolarHBondContact O-N 2.99Å; A345-T470 HydrophobicContact CB-CG2 4.34Å; A345-I471 PolarHBondContact N-O 2.74Å; A345-I472 HydrophobicContact CB-CG2 4.12Å; A345-F474 HydrophobicContact CB-CE2 4.39Å; A345-F474 HydrophobicContact CB-CZ 4.31Å
346	Q	96.8	Very high	97	Very high	34 Å²	34	52.2 Å²	52.2	16%	0.159	22%	0.222	C	C	.	.			trans	-87.3	105.1	-178.9	-64.1	-61.1	-65	0	0	109.6	S330 F344 K348 S393 E394	S330-Q346 PolarHBondContact O-OE1 3.07Å; F344-Q346 PolarHBondContact O-N 3.11Å; F344-Q346 VanDerWaalsContact O-N 3.16Å; F344-Q346 PolarHBondContact O-NE2 3.15Å; Q346-K348 PolarHBondContact O-N 2.83Å; Q346-S393 WeakPolarHBondContact O-CA 3.21Å; Q346-S393 WeakPolarHBondContact O-CB 3.35Å; Q346-E394 HydrophobicContact CB-CB 4.31Å; Q346-E394 HydrophobicContact CB-CG 4.05Å; Q346-E394 PolarHBondContact O-N 3.46Å
347	L	96.5	Very high	97.1	Very high	29 Å²	29	51.2 Å²	51.2	15%	0.152	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	112.9	170.1	-179.3	67.3	0	0	0	108.6	V323 Q327 S330 A345 R349 A350 L391	V323-L347 HydrophobicContact CG1-CD2 4.46Å; Q327-L347 HydrophobicContact CB-CD2 4.46Å; S330-L347 PolarHBondContact OG-N 2.73Å; A345-L347 PolarHBondContact O-N 2.99Å; L347-R349 WeakPolarHBondContact CD1-O 3.4Å; L347-A350 HydrophobicContact CD2-CB 4.2Å; L347-L391 HydrophobicContact CD1-CB 4.14Å; L347-L391 HydrophobicContact CD1-CD2 4.04Å
348	K	95	Very high	97.2	Very high	106 Å²	106	42 Å²	42	46%	0.461	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	-42.1	177.7	-64.8	-167.7	179.3	179.9	0	112	N295 Q346 E392 E394	N295-K348 PolarHBondContact OD1-NZ 3.15Å; Q346-K348 PolarHBondContact O-N 2.83Å; K348-E392 WeakPolarHBondContact CA-O 3.4Å; K348-E392 WeakPolarHBondContact CB-O 3.49Å; K348-E392 PolarHBondContact N-O 2.93Å; K348-E394 HydrophobicContact CD-CG 4.36Å; K348-E394 WeakPolarHBondContact CE-OE1 3.44Å; K348-E394 HydrophobicContact CG-CG 4.41Å; K348-E394 IonicContact NZ-OE1 2.76Å
349	R	95	Very high	97.1	Very high	92 Å²	92	42.9 Å²	42.9	35%	0.347	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	138.2	-174.9	-169.6	164.2	59.4	144.6	5.7	109.8	Y268 L347 E392	Y268-R349 HydrophobicContact CE2-CG 4.17Å; Y268-R349 VanDerWaalsContact CE2-NE 3.26Å; Y268-R349 VanDerWaalsContact CE2-NH2 3.25Å; Y268-R349 PolarHBondContact O-NH1 2.91Å; Y268-R349 PolarHBondContact OH-NE 2.83Å; Y268-R349 PolarHBondContact OH-NH2 3.4Å; L347-R349 WeakPolarHBondContact CD1-O 3.4Å; R349-E392 HydrophobicContact CB-CB 4.2Å; R349-E392 IonicContact CZ-OE2 2.62Å; R349-E392 PolarHBondContact N-O 2.97Å; R349-E392 IonicContact NE-OE2 3.52Å; R349-E392 PolarHBondContact NE-OE2 3.36Å; R349-E392 IonicContact NH2-OE2 3.49Å; R349-E392 PolarHBondContact NH2-OE2 2.87Å; R349-E392 PolarHBondContact O-N 2.71Å
350	A	96.8	Very high	97	Very high	9 Å²	9	43.6 Å²	43.6	7%	0.074	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.3	170.9	0	0	0	0	0	106.7	C257 V323 L347 M389 V390 L391	C257-A350 WeakPolarHBondContact CB-O 3.48Å; V323-A350 HydrophobicContact CG1-CB 3.72Å; L347-A350 HydrophobicContact CD2-CB 4.2Å; A350-M389 HydrophobicContact CB-CE 3.57Å; A350-V390 CarbonylContact C-O 3.56Å; A350-V390 WeakPolarHBondContact CA-O 3.23Å; A350-L391 HydrophobicContact CB-CD2 3.87Å
351	T	97.6	Very high	97	Very high	5 Å²	5	39.8 Å²	39.8	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	133.6	-178.7	-60.3	0	0	0	0	111.5	K263 Y268 V353 V390	K263-T351 HydrophobicContact CD-CG2 4.31Å; Y268-T351 HydrophobicContact CD2-CG2 3.51Å; Y268-T351 HydrophobicContact CE2-CG2 3.75Å; Y268-T351 WeakPolarHBondContact CE2-OG1 3.33Å; Y268-T351 HydrophobicContact CG-CG2 4.22Å; T351-V353 HydrophobicContact CG2-CG1 3.71Å; T351-V390 PolarHBondContact N-O 3.47Å; T351-V390 PolarHBondContact O-N 2.73Å
352	V	98.2	Very high	96.9	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122.7	166	-171.4	0	0	0	0	108.5	L250 L253 L254 Q259 I262 K263 F316 W388 M389	L250-V352 HydrophobicContact CD1-CG1 4.45Å; L253-V352 HydrophobicContact CD2-CG2 3.65Å; L253-V352 HydrophobicContact CG-CG2 3.88Å; L254-V352 HydrophobicContact CD2-CB 3.9Å; L254-V352 HydrophobicContact CD2-CG2 4.07Å; Q259-V352 PolarHBondContact NE2-O 3.43Å; I262-V352 HydrophobicContact CD1-CG1 4.49Å; I262-V352 HydrophobicContact CG1-CG1 3.99Å; I262-V352 HydrophobicContact CG2-CG1 4.29Å; K263-V352 PolarHBondContact N-O 3.46Å; F316-V352 HydrophobicContact CE1-CG1 3.98Å; F316-V352 HydrophobicContact CZ-CG1 4.49Å; V352-W388 CarbonylContact C-O 3.58Å; V352-W388 WeakPolarHBondContact CA-O 3.5Å; V352-M389 HydrophobicContact CG2-SD 4.02Å
353	V	97.7	Very high	96.9	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	158.3	177.3	-56.2	0	0	0	0	111.8	K263 F265 Y268 T351 Q387 W388 V390	K263-V353 HydrophobicContact CB-CG1 4.45Å; K263-V353 CarbonylContact O-C 3.43Å; K263-V353 WeakPolarHBondContact O-CA 3.34Å; K263-V353 WeakPolarHBondContact O-CB 3.36Å; F265-V353 HydrophobicContact CD1-CG2 4.04Å; F265-V353 HydrophobicContact CD2-CG2 4.39Å; F265-V353 HydrophobicContact CE1-CG2 3.71Å; F265-V353 HydrophobicContact CE2-CG2 4.09Å; F265-V353 HydrophobicContact CG-CG2 4.37Å; F265-V353 HydrophobicContact CZ-CG2 3.74Å; Y268-V353 HydrophobicContact CD1-CG1 4.24Å; Y268-V353 HydrophobicContact CD2-CG1 4.48Å; Y268-V353 HydrophobicContact CG-CG1 3.9Å; T351-V353 HydrophobicContact CG2-CG1 3.71Å; V353-Q387 CarbonylContact O-C 3.58Å; V353-Q387 VanDerWaalsContact O-CA 3.28Å; V353-Q387 WeakPolarHBondContact O-CA 3.38Å; V353-W388 HydrophobicContact CG2-CB 3.71Å; V353-W388 HydrophobicContact CG2-CG 4.29Å; V353-W388 PolarHBondContact N-O 2.75Å; V353-W388 PolarHBondContact O-N 3.21Å; V353-V390 HydrophobicContact CG1-CG2 4.39Å; V353-V390 HydrophobicContact CG2-CG2 3.83Å
354	R	97.8	Very high	96.8	Very high	124 Å²	124	42.6 Å²	42.6	47%	0.468	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	141.7	173.2	177.5	-179.3	-75.4	173	-0.9	109.8	I262 K263 S264 Q386 Q387	I262-R354 HydrophobicContact CG2-CB 3.65Å; K263-R354 PolarHBondContact O-N 3.39Å; S264-R354 WeakPolarHBondContact CA-O 3.28Å; R354-Q386 WeakPolarHBondContact CA-O 3.29Å; R354-Q387 HydrophobicContact CB-CG 4.42Å
355	G	97.3	Very high	96.8	Very high	15 Å²	15	43 Å²	43	16%	0.155	21%	0.212	C	C	.	.	S	Bend	trans	150	171.3	174.6	0	0	0	0	0	112.8	A384 Q386 W388	G355-A384 CarbonylContact C-O 3.33Å; G355-A384 WeakPolarHBondContact CA-O 3.47Å; G355-A384 PolarHBondContact N-O 2.75Å; G355-Q386 PolarHBondContact N-O 3.38Å; G355-W388 PolarHBondContact O-NE1 3.1Å
356	K	96.8	Very high	96.8	Very high	125 Å²	125	47.4 Å²	47.4	54%	0.543	22%	0.224	S	C	.	.	S	Bend	trans	-70.1	144.7	168.5	-171.7	159.4	-171.9	154.1	0	110.1	P358 D380 A384	K356-P358 WeakPolarHBondContact O-CD 3.36Å; K356-D380 WeakPolarHBondContact CE-O 3.33Å; K356-A384 HydrophobicContact CB-CB 4.47Å
357	L	96.2	Very high	96.8	Very high	17 Å²	17	51.7 Å²	51.7	9%	0.089	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-55.4	123.4	176.4	-172.6	71.7	0	0	0	110.3	K359 L361 A362 L379 D380 W388	L357-K359 PolarHBondContact O-N 3.12Å; L357-L361 HydrophobicContact CD1-CB 4.32Å; L357-L361 HydrophobicContact CD1-CD1 4.16Å; L357-L361 HydrophobicContact CG-CB 4.43Å; L357-A362 HydrophobicContact CD2-CB 4.2Å; L357-L379 HydrophobicContact CD2-CB 4.27Å; L357-D380 HydrophobicContact CD2-CB 4.23Å; L357-W388 HydrophobicContact CB-CH2 4.17Å; L357-W388 HydrophobicContact CB-CZ2 4.11Å; L357-W388 HydrophobicContact CD1-CH2 3.97Å; L357-W388 HydrophobicContact CD1-CZ2 4.39Å; L357-W388 HydrophobicContact CD1-CZ3 4.26Å
358	P	96.7	Very high	96.8	Very high	24 Å²	24	51.9 Å²	51.9	16%	0.156	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-55.6	134.7	178.5	-28.5	34.4	0	0	0	112.7	F265 V274 K356 A360 L361 A362	F265-P358 HydrophobicContact CB-CG 4.1Å; F265-P358 HydrophobicContact CD1-CG 3.91Å; F265-P358 HydrophobicContact CD2-CG 4.26Å; F265-P358 HydrophobicContact CE1-CG 4.38Å; F265-P358 HydrophobicContact CG-CG 3.84Å; V274-P358 HydrophobicContact CG1-CB 3.77Å; V274-P358 HydrophobicContact CG1-CG 4.41Å; K356-P358 WeakPolarHBondContact O-CD 3.36Å; P358-A360 PolarHBondContact O-N 2.61Å; P358-A360 VanDerWaalsContact O-N 3.1Å; P358-L361 HydrophobicContact CB-CD1 4.43Å; P358-L361 HydrophobicContact CB-CG 4.26Å; P358-L361 HydrophobicContact CG-CD1 4.22Å; P358-L361 PolarHBondContact O-N 3.3Å; P358-A362 PolarHBondContact O-N 2.87Å
359	K	96.5	Very high	96.8	Very high	183 Å²	183	51 Å²	51	80%	0.796	24%	0.238	S	C	*	.	H	α-helix	trans	-56.7	-31	-176.9	-68.4	-179	-179.7	175.5	0	113.4	L357 S363	L357-K359 PolarHBondContact O-N 3.12Å; K359-S363 WeakPolarHBondContact O-CB 3.48Å; K359-S363 PolarHBondContact O-N 3.47Å; K359-S363 PolarHBondContact O-OG 3.03Å
360	A	96.2	Very high	96.8	Very high	26 Å²	26	51.3 Å²	51.3	22%	0.215	25%	0.254	C	S	.	.	H	α-helix	trans	-66.6	-41.8	176.3	0	0	0	0	0	112.2	V274 E275 P358 S363 S364	V274-A360 HydrophobicContact CG1-CB 3.89Å; E275-A360 HydrophobicContact CG-CB 4.41Å; P358-A360 PolarHBondContact O-N 2.61Å; P358-A360 VanDerWaalsContact O-N 3.1Å; A360-S363 WeakPolarHBondContact O-CB 3.23Å; A360-S363 PolarHBondContact O-N 3.49Å; A360-S364 PolarHBondContact O-N 2.68Å
361	L	96.7	Very high	96.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-65.7	-43.3	176.7	-61.7	-175.6	0	0	0	111	V274 M277 F289 I299 L357 P358 S363 S364 W365	V274-L361 HydrophobicContact CG1-CD2 4.5Å; V274-L361 HydrophobicContact CG1-CG 4.3Å; M277-L361 HydrophobicContact CB-CD2 3.78Å; M277-L361 HydrophobicContact CG-CD2 4.26Å; M277-L361 HydrophobicContact SD-CD2 3.83Å; F289-L361 HydrophobicContact CD1-CD2 3.97Å; F289-L361 HydrophobicContact CE1-CB 4.12Å; F289-L361 HydrophobicContact CE1-CD2 3.96Å; F289-L361 HydrophobicContact CG-CD2 4.29Å; F289-L361 HydrophobicContact CZ-CB 4Å; F289-L361 HydrophobicContact CZ-CD2 4.27Å; I299-L361 HydrophobicContact CD1-CD1 3.67Å; L357-L361 HydrophobicContact CD1-CB 4.32Å; L357-L361 HydrophobicContact CD1-CD1 4.16Å; L357-L361 HydrophobicContact CG-CB 4.43Å; P358-L361 HydrophobicContact CB-CD1 4.43Å; P358-L361 HydrophobicContact CB-CG 4.26Å; P358-L361 HydrophobicContact CG-CD1 4.22Å; P358-L361 PolarHBondContact O-N 3.3Å; L361-S363 VanDerWaalsContact C-N 3.33Å; L361-S363 PolarHBondContact O-N 3.03Å; L361-S364 PolarHBondContact O-N 3.49Å; L361-W365 WeakPolarHBondContact O-CB 3.46Å; L361-W365 PolarHBondContact O-N 2.95Å
362	A	97	Very high	96.3	Very high	2 Å²	2	64.7 Å²	64.7	2%	0.017	31%	0.308	C	S	.	.	H	α-helix	trans	-60.9	-41.4	174.1	0	0	0	0	0	112	L357 P358 W365 R366 D380	L357-A362 HydrophobicContact CD2-CB 4.2Å; P358-A362 PolarHBondContact O-N 2.87Å; A362-W365 WeakPolarHBondContact O-CB 3.24Å; A362-W365 PolarHBondContact O-N 3.44Å; A362-R366 WeakPolarHBondContact O-CG 3.36Å; A362-R366 PolarHBondContact O-N 2.66Å; A362-D380 HydrophobicContact CB-CB 3.97Å
363	S	97.3	Very high	95.9	Very high	67 Å²	67	66.4 Å²	66.4	47%	0.469	33%	0.326	S	S	.	.	H	α-helix	trans	-63.1	-42.6	174.5	-60	0	0	0	0	112	K359 A360 L361 W365 R366 K367	K359-S363 WeakPolarHBondContact O-CB 3.48Å; K359-S363 PolarHBondContact O-N 3.47Å; K359-S363 PolarHBondContact O-OG 3.03Å; A360-S363 WeakPolarHBondContact O-CB 3.23Å; A360-S363 PolarHBondContact O-N 3.49Å; L361-S363 VanDerWaalsContact C-N 3.33Å; L361-S363 PolarHBondContact O-N 3.03Å; S363-W365 VanDerWaalsContact C-N 3.29Å; S363-W365 PolarHBondContact O-N 2.89Å; S363-R366 PolarHBondContact O-N 3.01Å; S363-K367 PolarHBondContact O-N 3.1Å
364	S	96.8	Very high	95.4	Very high	13 Å²	13	67.7 Å²	67.7	9%	0.091	34%	0.335	C	S	.	.	H	α-helix	trans	-64.6	-35.4	174.9	-177.1	0	0	0	0	112.3	V278 K279 A360 L361 K367 Y368	V278-S364 WeakPolarHBondContact CA-OG 3.33Å; K279-S364 PolarHBondContact N-OG 2.91Å; A360-S364 PolarHBondContact O-N 2.68Å; L361-S364 PolarHBondContact O-N 3.49Å; S364-K367 PolarHBondContact O-N 3.4Å; S364-Y368 PolarHBondContact O-N 3.38Å; S364-Y368 VanDerWaalsContact O-N 3.09Å
365	W	97	Very high	94.8	Very high	11 Å²	11	64.4 Å²	64.4	4%	0.042	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-48.2	176.4	-175.3	105.9	0	0	0	111	K279 E287 L361 A362 S363 K367 Y368 E369 S374 N376 C378	K279-W365 HydrophobicContact CD-CB 4.27Å; K279-W365 HydrophobicContact CD-CG 4.05Å; K279-W365 VanDerWaalsContact NZ-CD1 3.28Å; E287-W365 VanDerWaalsContact CD-CD1 3.5Å; E287-W365 PolarHBondContact OE1-NE1 3.41Å; E287-W365 VanDerWaalsContact OE2-CD1 3.23Å; E287-W365 PolarHBondContact OE2-NE1 3.03Å; L361-W365 WeakPolarHBondContact O-CB 3.46Å; L361-W365 PolarHBondContact O-N 2.95Å; A362-W365 WeakPolarHBondContact O-CB 3.24Å; A362-W365 PolarHBondContact O-N 3.44Å; S363-W365 VanDerWaalsContact C-N 3.29Å; S363-W365 PolarHBondContact O-N 2.89Å; W365-K367 VanDerWaalsContact C-N 3.27Å; W365-K367 PolarHBondContact O-N 3.37Å; W365-Y368 WeakPolarHBondContact O-CB 3.25Å; W365-Y368 PolarHBondContact O-N 2.75Å; W365-E369 HydrophobicContact CE3-CB 4.27Å; W365-E369 HydrophobicContact CH2-CB 4.15Å; W365-E369 VanDerWaalsContact CH2-CD 3.48Å; W365-E369 HydrophobicContact CH2-CG 4.15Å; W365-E369 WeakPolarHBondContact CH2-OE1 3.31Å; W365-E369 HydrophobicContact CZ3-CB 3.88Å; W365-E369 HydrophobicContact CZ3-CG 4.15Å; W365-E369 WeakPolarHBondContact CZ3-OE2 3.42Å; W365-E369 PolarHBondContact O-N 3.35Å; W365-S374 VanDerWaalsContact CZ2-OG 3.22Å; W365-S374 WeakPolarHBondContact CZ2-OG 3.28Å; W365-N376 VanDerWaalsContact CZ2-O 3.23Å; W365-N376 WeakPolarHBondContact CZ2-O 3.21Å; W365-C378 HydrophobicContact CD2-CB 3.86Å; W365-C378 HydrophobicContact CE3-CB 3.49Å; W365-C378 VanDerWaalsContact CE3-CB 3.49Å; W365-C378 HydrophobicContact CH2-CB 4.04Å; W365-C378 HydrophobicContact CZ2-CB 4.3Å; W365-C378 HydrophobicContact CZ3-CB 3.6Å
366	R	97.2	Very high	94.4	Very high	113 Å²	113	64.4 Å²	64.4	43%	0.426	32%	0.323	S	S	.	.	H	α-helix	trans	-60.7	-37.4	177.3	-68.6	177.7	-174.1	102.3	2.4	112.3	A362 S363 E369 S370 D380	A362-R366 WeakPolarHBondContact O-CG 3.36Å; A362-R366 PolarHBondContact O-N 2.66Å; S363-R366 PolarHBondContact O-N 3.01Å; R366-E369 PolarHBondContact O-N 3.27Å; R366-S370 WeakPolarHBondContact O-CB 3.3Å; R366-S370 PolarHBondContact O-N 3.12Å; R366-S370 PolarHBondContact O-OG 3.39Å; R366-D380 IonicContact CZ-OD2 3.68Å; R366-D380 IonicContact NH1-OD2 3.05Å; R366-D380 IonicContact NH2-OD1 3.62Å; R366-D380 IonicContact NH2-OD2 3.59Å; R366-D380 PolarHBondContact NH2-OD2 3.2Å
367	K	96.8	Very high	94.2	Very high	123 Å²	123	61.6 Å²	61.6	54%	0.535	31%	0.312	S	S	.	.	H	α-helix	trans	-61.9	-45.5	174.2	-175.8	178.3	178.1	-179	0	111.1	S363 S364 W365 S370 Q371	S363-K367 PolarHBondContact O-N 3.1Å; S364-K367 PolarHBondContact O-N 3.4Å; W365-K367 VanDerWaalsContact C-N 3.27Å; W365-K367 PolarHBondContact O-N 3.37Å; K367-S370 PolarHBondContact O-N 3.04Å; K367-S370 PolarHBondContact O-OG 2.95Å; K367-Q371 VanDerWaalsContact O-CG 3.28Å; K367-Q371 WeakPolarHBondContact O-CG 3.12Å; K367-Q371 PolarHBondContact O-N 3.35Å
368	Y	95.3	Very high	94.1	Very high	33 Å²	33	61.7 Å²	61.7	13%	0.129	31%	0.314	C	S	.	.	H	α-helix	trans	-61.3	-49.2	176.8	-178.8	-82.4	0	0	0	111.6	K279 S364 W365 S370 Q371 R372 G373	K279-Y368 HydrophobicContact CB-CD2 4.26Å; K279-Y368 HydrophobicContact CB-CG 4.29Å; K279-Y368 HydrophobicContact CD-CD1 3.96Å; K279-Y368 HydrophobicContact CD-CD2 4.31Å; K279-Y368 HydrophobicContact CD-CG 3.78Å; K279-Y368 VanDerWaalsContact CE-CD1 3.49Å; K279-Y368 HydrophobicContact CG-CD1 4.4Å; K279-Y368 HydrophobicContact CG-CD2 3.84Å; K279-Y368 HydrophobicContact CG-CE2 4.44Å; K279-Y368 HydrophobicContact CG-CG 3.82Å; K279-Y368 WeakPolarHBondContact O-CD2 3.49Å; S364-Y368 PolarHBondContact O-N 3.38Å; S364-Y368 VanDerWaalsContact O-N 3.09Å; W365-Y368 WeakPolarHBondContact O-CB 3.25Å; W365-Y368 PolarHBondContact O-N 2.75Å; Y368-S370 VanDerWaalsContact C-N 3.34Å; Y368-S370 PolarHBondContact O-N 2.84Å; Y368-Q371 PolarHBondContact O-N 2.85Å; Y368-R372 HydrophobicContact CE1-CB 4.17Å; Y368-R372 PolarHBondContact O-N 3.27Å; Y368-G373 WeakPolarHBondContact CE1-O 3.23Å
369	E	95.2	Very high	94	Very high	89 Å²	89	60.7 Å²	60.7	42%	0.416	31%	0.307	S	S	.	.	H	α-helix	trans	-55.3	-48.4	177.4	-179.5	-171.4	-142.6	0	0	111.4	W365 R366 Q371 R372 G373	W365-E369 HydrophobicContact CE3-CB 4.27Å; W365-E369 HydrophobicContact CH2-CB 4.15Å; W365-E369 VanDerWaalsContact CH2-CD 3.48Å; W365-E369 HydrophobicContact CH2-CG 4.15Å; W365-E369 WeakPolarHBondContact CH2-OE1 3.31Å; W365-E369 HydrophobicContact CZ3-CB 3.88Å; W365-E369 HydrophobicContact CZ3-CG 4.15Å; W365-E369 WeakPolarHBondContact CZ3-OE2 3.42Å; W365-E369 PolarHBondContact O-N 3.35Å; R366-E369 PolarHBondContact O-N 3.27Å; E369-Q371 PolarHBondContact O-N 3.45Å; E369-Q371 VanDerWaalsContact O-N 3.12Å; E369-R372 PolarHBondContact O-N 3.09Å; E369-G373 VanDerWaalsContact O-CA 3.25Å; E369-G373 WeakPolarHBondContact O-CA 3.31Å; E369-G373 PolarHBondContact O-N 3.46Å
370	S	95.7	Very high	94	Very high	97 Å²	97	54.4 Å²	54.4	68%	0.678	28%	0.282	S	S	*	.	H	α-helix	trans	-61.3	-24.3	179.3	72.9	0	0	0	0	114.2	R366 K367 Y368	R366-S370 WeakPolarHBondContact O-CB 3.3Å; R366-S370 PolarHBondContact O-N 3.12Å; R366-S370 PolarHBondContact O-OG 3.39Å; K367-S370 PolarHBondContact O-N 3.04Å; K367-S370 PolarHBondContact O-OG 2.95Å; Y368-S370 VanDerWaalsContact C-N 3.34Å; Y368-S370 PolarHBondContact O-N 2.84Å
371	Q	94.3	Very high	93.9	Very high	131 Å²	131	57.5 Å²	57.5	61%	0.612	29%	0.291	S	S	*	.	H	α-helix	trans	-99.3	-32.1	-174.9	-70.5	179.1	-5.3	0	0	113.4	K367 Y368 E369	K367-Q371 VanDerWaalsContact O-CG 3.28Å; K367-Q371 WeakPolarHBondContact O-CG 3.12Å; K367-Q371 PolarHBondContact O-N 3.35Å; Y368-Q371 PolarHBondContact O-N 2.85Å; E369-Q371 PolarHBondContact O-N 3.45Å; E369-Q371 VanDerWaalsContact O-N 3.12Å
372	R	89.9	Confident	93.9	Very high	164 Å²	164	57.5 Å²	57.5	62%	0.619	29%	0.291	S	S	*	.	H	α-helix	trans	-130.3	-8.3	-169.8	-64.1	-173.6	176.5	-163.2	-0.2	114.1	Y368 E369	Y368-R372 HydrophobicContact CE1-CB 4.17Å; Y368-R372 PolarHBondContact O-N 3.27Å; E369-R372 PolarHBondContact O-N 3.09Å
373	G	89.7	Confident	93.9	Very high	38 Å²	38	59.7 Å²	59.7	39%	0.392	31%	0.305	S	S	.	.			trans	72.5	168.6	-161.4	0	0	0	0	0	111.9	Y368 E369	Y368-G373 WeakPolarHBondContact CE1-O 3.23Å; E369-G373 VanDerWaalsContact O-CA 3.25Å; E369-G373 WeakPolarHBondContact O-CA 3.31Å; E369-G373 PolarHBondContact O-N 3.46Å
374	S	87.5	Confident	93.9	Very high	27 Å²	27	59 Å²	59	19%	0.189	30%	0.304	C	S	.	.			trans	-145.7	134.8	174.4	173.2	0	0	0	0	107.7	E282 W365 N376	E282-S374 PolarHBondContact OE2-OG 3.21Å; W365-S374 VanDerWaalsContact CZ2-OG 3.22Å; W365-S374 WeakPolarHBondContact CZ2-OG 3.28Å; S374-N376 VanDerWaalsContact C-N 3.29Å; S374-N376 PolarHBondContact OG-N 3.44Å; S374-N376 VanDerWaalsContact OG-N 3.1Å; S374-N376 PolarHBondContact OG-O 3.07Å
375	D	84.9	Confident	93.9	Very high	55 Å²	55	64.8 Å²	64.8	29%	0.294	33%	0.329	S	S	.	.	S	Bend	trans	-81.7	-17.5	169.1	-64.7	-44.3	0	0	0	111	F198 K203 E282	F198-D375 HydrophobicContact CD1-CB 3.94Å; F198-D375 HydrophobicContact CE1-CB 3.93Å; K203-D375 IonicContact NZ-OD2 3.75Å; K203-D375 PolarHBondContact NZ-OD2 3.31Å; E282-D375 PolarHBondContact OE1-N 3.34Å
376	N	89.6	Confident	93.9	Very high	14 Å²	14	64.6 Å²	64.6	8%	0.075	33%	0.329	C	S	.	.	S	Bend	trans	-89.8	167.7	178.6	-74.8	8.4	0	0	0	112.3	G283 G286 E287 N309 W365 S374	G283-N376 PolarHBondContact O-ND2 3.41Å; G286-N376 PolarHBondContact O-ND2 3.27Å; E287-N376 PolarHBondContact OE1-ND2 3.04Å; N309-N376 VanDerWaalsContact CG-CG 3.48Å; N309-N376 VanDerWaalsContact ND2-CG 3.31Å; N309-N376 PolarHBondContact ND2-ND2 2.89Å; N309-N376 VanDerWaalsContact OD1-CA 3.3Å; N309-N376 WeakPolarHBondContact OD1-CA 3.2Å; N309-N376 VanDerWaalsContact OD1-CB 3.23Å; N309-N376 WeakPolarHBondContact OD1-CB 3.44Å; W365-N376 VanDerWaalsContact CZ2-O 3.23Å; W365-N376 WeakPolarHBondContact CZ2-O 3.21Å; S374-N376 VanDerWaalsContact C-N 3.29Å; S374-N376 PolarHBondContact OG-N 3.44Å; S374-N376 VanDerWaalsContact OG-N 3.1Å; S374-N376 PolarHBondContact OG-O 3.07Å
377	E	92	Very high	93.9	Very high	67 Å²	67	60.3 Å²	60.3	31%	0.313	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-98.2	159.6	168	69.2	-164.8	142.9	0	0	112.1	N309 L379 F381	N309-E377 PolarHBondContact N-OE1 3.06Å; N309-E377 PolarHBondContact OD1-N 2.76Å; E377-L379 HydrophobicContact CG-CD2 4.08Å; E377-L379 PolarHBondContact O-N 2.85Å; E377-F381 HydrophobicContact CG-CE1 3.9Å
378	C	94.3	Very high	94	Very high	19 Å²	19	54.5 Å²	54.5	13%	0.128	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-74.9	120.9	175.1	-176.1	0	0	0	0	110	W365 D380 F381	W365-C378 HydrophobicContact CD2-CB 3.86Å; W365-C378 HydrophobicContact CE3-CB 3.49Å; W365-C378 VanDerWaalsContact CE3-CB 3.49Å; W365-C378 HydrophobicContact CH2-CB 4.04Å; W365-C378 HydrophobicContact CZ2-CB 4.3Å; W365-C378 HydrophobicContact CZ3-CB 3.6Å; C378-D380 PolarHBondContact O-N 2.9Å; C378-D380 VanDerWaalsContact SG-CG 3.59Å; C378-D380 PolarHBondContact SG-OD1 2.72Å; C378-F381 VanDerWaalsContact O-CD1 3.24Å; C378-F381 WeakPolarHBondContact O-CD1 3.2Å
379	L	95	Very high	94	Very high	2 Å²	2	53 Å²	53	1%	0.01	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-79.5	20.6	-172.7	-49.8	-176.3	0	0	0	114.8	E287 P301 V308 L357 E377 F381 L382 W388	E287-L379 HydrophobicContact CG-CD1 4.18Å; P301-L379 HydrophobicContact CG-CD1 4.34Å; V308-L379 HydrophobicContact CG1-CD1 4.23Å; V308-L379 HydrophobicContact CG1-CD2 3.6Å; L357-L379 HydrophobicContact CD2-CB 4.27Å; E377-L379 HydrophobicContact CG-CD2 4.08Å; E377-L379 PolarHBondContact O-N 2.85Å; L379-F381 VanDerWaalsContact C-N 3.29Å; L379-F381 HydrophobicContact CD2-CE1 4.11Å; L379-F381 PolarHBondContact O-N 2.62Å; L379-L382 HydrophobicContact CB-CD1 4.22Å; L379-W388 HydrophobicContact CB-CH2 3.89Å; L379-W388 HydrophobicContact CB-CZ3 4.25Å; L379-W388 HydrophobicContact CD1-CH2 4.39Å; L379-W388 HydrophobicContact CD1-CZ3 3.91Å
380	D	95.1	Very high	94.1	Very high	51 Å²	51	48.8 Å²	48.8	27%	0.273	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-83.5	-2.9	-178.5	71.6	-31.5	0	0	0	114.4	K356 L357 A362 R366 C378 L382	K356-D380 WeakPolarHBondContact CE-O 3.33Å; L357-D380 HydrophobicContact CD2-CB 4.23Å; A362-D380 HydrophobicContact CB-CB 3.97Å; R366-D380 IonicContact CZ-OD2 3.68Å; R366-D380 IonicContact NH1-OD2 3.05Å; R366-D380 IonicContact NH2-OD1 3.62Å; R366-D380 IonicContact NH2-OD2 3.59Å; R366-D380 PolarHBondContact NH2-OD2 3.2Å; C378-D380 PolarHBondContact O-N 2.9Å; C378-D380 VanDerWaalsContact SG-CG 3.59Å; C378-D380 PolarHBondContact SG-OD1 2.72Å; D380-L382 VanDerWaalsContact C-N 3.32Å
381	F	95.4	Very high	94.1	Very high	91 Å²	91	44.7 Å²	44.7	40%	0.399	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-73.2	-23	168.5	68.4	-90.6	0	0	0	113.1	D306 V308 E377 C378 L379	D306-F381 HydrophobicContact CB-CE2 4.33Å; V308-F381 HydrophobicContact CG2-CZ 4.32Å; E377-F381 HydrophobicContact CG-CE1 3.9Å; C378-F381 VanDerWaalsContact O-CD1 3.24Å; C378-F381 WeakPolarHBondContact O-CD1 3.2Å; L379-F381 VanDerWaalsContact C-N 3.29Å; L379-F381 HydrophobicContact CD2-CE1 4.11Å; L379-F381 PolarHBondContact O-N 2.62Å
382	L	96.6	Very high	94.2	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.209	C	C	.	.	S	Bend	trans	-64.2	145.6	-177.7	-67.9	175.1	0	0	0	111.9	P301 D306 V308 L379 D380 Q386 W388	P301-L382 HydrophobicContact CB-CD1 3.73Å; P301-L382 HydrophobicContact CG-CD1 3.92Å; D306-L382 HydrophobicContact CB-CD2 3.73Å; V308-L382 HydrophobicContact CG2-CD1 4.05Å; V308-L382 HydrophobicContact CG2-CD2 4.27Å; L379-L382 HydrophobicContact CB-CD1 4.22Å; D380-L382 VanDerWaalsContact C-N 3.32Å; L382-Q386 HydrophobicContact CB-CB 4.26Å; L382-Q386 HydrophobicContact CB-CG 4.1Å; L382-Q386 HydrophobicContact CD1-CG 4.04Å; L382-W388 HydrophobicContact CB-CH2 4.47Å; L382-W388 HydrophobicContact CB-CZ2 4.19Å; L382-W388 HydrophobicContact CD1-CH2 3.55Å; L382-W388 HydrophobicContact CD1-CZ2 3.92Å; L382-W388 HydrophobicContact CD1-CZ3 4.2Å
383	P	96.4	Very high	94.4	Very high	49 Å²	49	33 Å²	33	32%	0.318	19%	0.188	S	C	.	.			trans	-73.9	173.4	-171.3	32	-37.6	0	0	0	112.9	E385 Q386	P383-E385 PolarHBondContact O-N 3.21Å; P383-Q386 HydrophobicContact CG-CB 4.43Å; P383-Q386 VanDerWaalsContact O-CB 3.29Å; P383-Q386 WeakPolarHBondContact O-CB 3.45Å; P383-Q386 PolarHBondContact O-N 3.18Å
384	A	96.6	Very high	94.6	Very high	53 Å²	53	35 Å²	35	44%	0.438	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-21.4	-179	0	0	0	0	0	112.8	G355 K356 Q386	G355-A384 CarbonylContact C-O 3.33Å; G355-A384 WeakPolarHBondContact CA-O 3.47Å; G355-A384 PolarHBondContact N-O 2.75Å; K356-A384 HydrophobicContact CB-CB 4.47Å; A384-Q386 VanDerWaalsContact C-N 3.31Å
385	E	96.7	Very high	94.9	Very high	134 Å²	134	38.2 Å²	38.2	63%	0.626	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.5	-11	179.4	-61.7	70.7	-156.2	0	0	112.5	P383 Q387	P383-E385 PolarHBondContact O-N 3.21Å; E385-Q387 PolarHBondContact O-N 2.96Å
386	Q	97.6	Very high	95.3	Very high	7 Å²	7	36 Å²	36	3%	0.033	19%	0.188	C	C	.	.			trans	-55.1	132.9	-178.2	-179.4	63.6	65.9	0	0	111.1	P301 V302 Q313 R354 G355 L382 P383 A384 W388	P301-Q386 HydrophobicContact CB-CG 4.18Å; V302-Q386 PolarHBondContact O-NE2 3.41Å; Q313-Q386 VanDerWaalsContact NE2-OE1 3.08Å; R354-Q386 WeakPolarHBondContact CA-O 3.29Å; G355-Q386 PolarHBondContact N-O 3.38Å; L382-Q386 HydrophobicContact CB-CB 4.26Å; L382-Q386 HydrophobicContact CB-CG 4.1Å; L382-Q386 HydrophobicContact CD1-CG 4.04Å; P383-Q386 HydrophobicContact CG-CB 4.43Å; P383-Q386 VanDerWaalsContact O-CB 3.29Å; P383-Q386 WeakPolarHBondContact O-CB 3.45Å; P383-Q386 PolarHBondContact O-N 3.18Å; A384-Q386 VanDerWaalsContact C-N 3.31Å; Q386-W388 HydrophobicContact CB-CZ2 4.38Å; Q386-W388 HydrophobicContact CG-CD2 4.17Å; Q386-W388 VanDerWaalsContact CG-CE2 3.48Å; Q386-W388 HydrophobicContact CG-CZ2 3.73Å; Q386-W388 VanDerWaalsContact O-CD1 3.29Å; Q386-W388 PolarHBondContact O-NE1 3.01Å
387	Q	97.7	Very high	95.4	Very high	23 Å²	23	36 Å²	36	11%	0.107	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	146.8	172.4	-70.5	161.9	-26.7	0	0	110.4	I262 P301 V302 F316 V353 R354 E385	I262-Q387 HydrophobicContact CD1-CG 4.31Å; P301-Q387 WeakPolarHBondContact CA-O 3.43Å; V302-Q387 PolarHBondContact N-O 3.07Å; F316-Q387 HydrophobicContact CZ-CB 4.16Å; F316-Q387 HydrophobicContact CZ-CG 4.43Å; V353-Q387 CarbonylContact O-C 3.58Å; V353-Q387 VanDerWaalsContact O-CA 3.28Å; V353-Q387 WeakPolarHBondContact O-CA 3.38Å; R354-Q387 HydrophobicContact CB-CG 4.42Å; E385-Q387 PolarHBondContact O-N 2.96Å
388	W	97.5	Very high	95.4	Very high	1 Å²	1	37.6 Å²	37.6	0%	0.004	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.4	-174.9	-51.8	78.2	0	0	0	109.9	F265 I299 F300 P301 V352 V353 G355 L357 L379 L382 Q386	F265-W388 AromaticContact CE2-CD1 3.5Å; F265-W388 VanDerWaalsContact CE2-CD1 3.5Å; F265-W388 HydrophobicContact CE2-CD2 4.4Å; F265-W388 HydrophobicContact CE2-CG 4.05Å; F265-W388 AromaticContact CE2-NE1 3.53Å; F265-W388 HydrophobicContact CZ-CB 4.26Å; F265-W388 AromaticContact CZ-CD1 3.67Å; F265-W388 HydrophobicContact CZ-CD2 4.02Å; F265-W388 AromaticContact CZ-CG 3.74Å; F265-W388 HydrophobicContact CZ-CG 3.74Å; F265-W388 AromaticContact CZ-NE1 3.92Å; I299-W388 HydrophobicContact CG2-CD2 4.48Å; I299-W388 HydrophobicContact CG2-CE3 3.8Å; I299-W388 HydrophobicContact CG2-CZ3 4.41Å; F300-W388 CarbonylContact O-C 3.55Å; F300-W388 WeakPolarHBondContact O-CA 3.37Å; P301-W388 HydrophobicContact CB-CD2 4.31Å; P301-W388 HydrophobicContact CB-CE3 3.82Å; P301-W388 HydrophobicContact CB-CH2 4.42Å; P301-W388 HydrophobicContact CB-CZ3 3.89Å; P301-W388 HydrophobicContact CG-CE3 4.45Å; P301-W388 HydrophobicContact CG-CZ3 4.19Å; V352-W388 CarbonylContact C-O 3.58Å; V352-W388 WeakPolarHBondContact CA-O 3.5Å; V353-W388 HydrophobicContact CG2-CB 3.71Å; V353-W388 HydrophobicContact CG2-CG 4.29Å; V353-W388 PolarHBondContact N-O 2.75Å; V353-W388 PolarHBondContact O-N 3.21Å; G355-W388 PolarHBondContact O-NE1 3.1Å; L357-W388 HydrophobicContact CB-CH2 4.17Å; L357-W388 HydrophobicContact CB-CZ2 4.11Å; L357-W388 HydrophobicContact CD1-CH2 3.97Å; L357-W388 HydrophobicContact CD1-CZ2 4.39Å; L357-W388 HydrophobicContact CD1-CZ3 4.26Å; L379-W388 HydrophobicContact CB-CH2 3.89Å; L379-W388 HydrophobicContact CB-CZ3 4.25Å; L379-W388 HydrophobicContact CD1-CH2 4.39Å; L379-W388 HydrophobicContact CD1-CZ3 3.91Å; L382-W388 HydrophobicContact CB-CH2 4.47Å; L382-W388 HydrophobicContact CB-CZ2 4.19Å; L382-W388 HydrophobicContact CD1-CH2 3.55Å; L382-W388 HydrophobicContact CD1-CZ2 3.92Å; L382-W388 HydrophobicContact CD1-CZ3 4.2Å; Q386-W388 HydrophobicContact CB-CZ2 4.38Å; Q386-W388 HydrophobicContact CG-CD2 4.17Å; Q386-W388 VanDerWaalsContact CG-CE2 3.48Å; Q386-W388 HydrophobicContact CG-CZ2 3.73Å; Q386-W388 VanDerWaalsContact O-CD1 3.29Å; Q386-W388 PolarHBondContact O-NE1 3.01Å
389	M	96.9	Very high	95.4	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.01	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.4	164	-170.2	63.9	-163.7	0	0	109.7	L253 I299 F300 V302 V319 V323 A350 V352 L391	L253-M389 HydrophobicContact CD2-SD 4.45Å; I299-M389 WeakPolarHBondContact CA-O 3.45Å; F300-M389 HydrophobicContact CD1-CB 4.2Å; F300-M389 HydrophobicContact CD2-CB 4Å; F300-M389 HydrophobicContact CE1-CB 3.75Å; F300-M389 HydrophobicContact CE1-CG 3.82Å; F300-M389 HydrophobicContact CE2-CB 3.52Å; F300-M389 HydrophobicContact CE2-CG 4.08Å; F300-M389 HydrophobicContact CG-CB 4.34Å; F300-M389 HydrophobicContact CZ-CB 3.4Å; F300-M389 VanDerWaalsContact CZ-CB 3.4Å; F300-M389 HydrophobicContact CZ-CG 3.48Å; F300-M389 VanDerWaalsContact CZ-CG 3.48Å; F300-M389 PolarHBondContact N-O 2.63Å; F300-M389 VanDerWaalsContact N-O 3.11Å; F300-M389 PolarHBondContact O-N 2.73Å; V302-M389 HydrophobicContact CG2-CB 3.73Å; V319-M389 HydrophobicContact CG1-CB 4.26Å; V319-M389 HydrophobicContact CG1-CG 3.85Å; V319-M389 HydrophobicContact CG1-SD 4.09Å; V323-M389 HydrophobicContact CG2-CE 3.53Å; V323-M389 HydrophobicContact CG2-SD 4.43Å; A350-M389 HydrophobicContact CB-CE 3.57Å; V352-M389 HydrophobicContact CG2-SD 4.02Å; M389-L391 HydrophobicContact CE-CD2 3.38Å; M389-L391 HydrophobicContact CE-CG 4.34Å; M389-L391 HydrophobicContact CG-CD2 4.2Å; M389-L391 HydrophobicContact CG-CG 4.24Å
390	V	96.8	Very high	95.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	118.5	173.3	-171.3	0	0	0	0	109.7	Y268 F269 V297 K298 I299 A350 T351 V353	Y268-V390 HydrophobicContact CD1-CG1 4.49Å; Y268-V390 HydrophobicContact CE1-CB 3.93Å; Y268-V390 HydrophobicContact CE1-CG1 3.51Å; Y268-V390 HydrophobicContact CE1-CG2 4.29Å; F269-V390 HydrophobicContact CZ-CG1 3.96Å; V297-V390 HydrophobicContact CG1-CG1 3.58Å; K298-V390 WeakPolarHBondContact O-CA 3.5Å; I299-V390 HydrophobicContact CG1-CG1 4.1Å; I299-V390 HydrophobicContact CG1-CG2 4.29Å; I299-V390 HydrophobicContact CG2-CG2 4.43Å; A350-V390 CarbonylContact C-O 3.56Å; A350-V390 WeakPolarHBondContact CA-O 3.23Å; T351-V390 PolarHBondContact N-O 3.47Å; T351-V390 PolarHBondContact O-N 2.73Å; V353-V390 HydrophobicContact CG1-CG2 4.39Å; V353-V390 HydrophobicContact CG2-CG2 3.83Å
391	L	95.5	Very high	95.4	Very high	10 Å²	10	37.6 Å²	37.6	5%	0.052	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	114	176	-58.9	178.2	0	0	0	109.2	V297 K298 F300 E322 V323 L347 A350 M389	V297-L391 CarbonylContact C-O 3.45Å; V297-L391 WeakPolarHBondContact CA-O 3.49Å; K298-L391 HydrophobicContact CB-CB 4.32Å; K298-L391 HydrophobicContact CD-CD1 4.43Å; K298-L391 PolarHBondContact N-O 3.36Å; K298-L391 PolarHBondContact O-N 3.02Å; F300-L391 HydrophobicContact CE1-CD1 3.95Å; F300-L391 HydrophobicContact CE1-CG 4.25Å; F300-L391 HydrophobicContact CZ-CD1 4.44Å; E322-L391 HydrophobicContact CG-CD1 4.45Å; V323-L391 HydrophobicContact CG2-CD2 4.17Å; L347-L391 HydrophobicContact CD1-CB 4.14Å; L347-L391 HydrophobicContact CD1-CD2 4.04Å; A350-L391 HydrophobicContact CB-CD2 3.87Å; M389-L391 HydrophobicContact CE-CD2 3.38Å; M389-L391 HydrophobicContact CE-CG 4.34Å; M389-L391 HydrophobicContact CG-CD2 4.2Å; M389-L391 HydrophobicContact CG-CG 4.24Å
392	E	95.8	Very high	95.2	Very high	22 Å²	22	37.8 Å²	37.8	10%	0.103	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	118.4	177.4	-176.7	175.5	-177.2	0	0	110.1	N295 V296 V297 K348 R349	N295-E392 HydrophobicContact CB-CG 3.92Å; N295-E392 PolarHBondContact ND2-OE1 3.35Å; V296-E392 CarbonylContact O-C 3.21Å; V296-E392 WeakPolarHBondContact O-CA 3.11Å; V297-E392 HydrophobicContact CG2-CG 4.27Å; K348-E392 WeakPolarHBondContact CA-O 3.4Å; K348-E392 WeakPolarHBondContact CB-O 3.49Å; K348-E392 PolarHBondContact N-O 2.93Å; R349-E392 HydrophobicContact CB-CB 4.2Å; R349-E392 IonicContact CZ-OE2 2.62Å; R349-E392 PolarHBondContact N-O 2.97Å; R349-E392 IonicContact NE-OE2 3.52Å; R349-E392 PolarHBondContact NE-OE2 3.36Å; R349-E392 IonicContact NH2-OE2 3.49Å; R349-E392 PolarHBondContact NH2-OE2 2.87Å; R349-E392 PolarHBondContact O-N 2.71Å
393	S	95.4	Very high	95.1	Very high	27 Å²	27	38.9 Å²	38.9	19%	0.189	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	162.1	-175.6	-62.3	0	0	0	0	112.3	N295 V296 Q346	N295-S393 CarbonylContact C-O 3.57Å; N295-S393 WeakPolarHBondContact CA-O 3.34Å; N295-S393 WeakPolarHBondContact CB-O 3.28Å; V296-S393 PolarHBondContact N-O 2.87Å; V296-S393 PolarHBondContact O-N 3.33Å; Q346-S393 WeakPolarHBondContact O-CA 3.21Å; Q346-S393 WeakPolarHBondContact O-CB 3.35Å
394	E	94.2	Very high	94.9	Very high	82 Å²	82	45.8 Å²	45.8	38%	0.383	23%	0.233	S	C	.	.			trans	-63.3	142.5	170.2	-73.1	-169.7	170.2	0	0	112.4	Q346 K348 A396	Q346-E394 HydrophobicContact CB-CB 4.31Å; Q346-E394 HydrophobicContact CB-CG 4.05Å; Q346-E394 PolarHBondContact O-N 3.46Å; K348-E394 HydrophobicContact CD-CG 4.36Å; K348-E394 WeakPolarHBondContact CE-OE1 3.44Å; K348-E394 HydrophobicContact CG-CG 4.41Å; K348-E394 IonicContact NZ-OE1 2.76Å; E394-A396 PolarHBondContact O-N 2.92Å
395	F	92.3	Very high	94.7	Very high	93 Å²	93	43.8 Å²	43.8	41%	0.408	22%	0.215	S	C	.	.			trans	-69.1	124	166.8	177.1	-95.9	0	0	0	110.5	G294 V296	G294-F395 WeakPolarHBondContact O-CB 3.48Å; V296-F395 HydrophobicContact CG2-CB 4.1Å; V296-F395 HydrophobicContact CG2-CD2 3.93Å
396	A	93.3	Very high	94.5	Very high	9 Å²	9	43 Å²	43	7%	0.074	22%	0.215	C	C	.	.			trans	-109.9	2.7	-168.3	0	0	0	0	0	113.7	E394 L442 T470	E394-A396 PolarHBondContact O-N 2.92Å; A396-L442 HydrophobicContact CB-CB 4.02Å; A396-L442 HydrophobicContact CB-CD1 3.54Å; A396-L442 HydrophobicContact CB-CG 4.38Å; A396-L442 WeakPolarHBondContact O-CB 3.32Å; A396-T470 HydrophobicContact CB-CG2 3.75Å
397	G	93	Very high	94.2	Very high	14 Å²	14	43.9 Å²	43.9	14%	0.144	22%	0.221	C	C	.	.			trans	101.3	-147.9	177.8	0	0	0	0	0	113.2	V443	G397-V443 WeakPolarHBondContact CA-O 3.3Å
398	E	91.9	Very high	94	Very high	101 Å²	101	43 Å²	43	47%	0.472	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	156.4	-179.3	68.6	-174.8	139.4	0	0	111.7	V403 L442 V443	E398-V403 HydrophobicContact CG-CG2 4.16Å; E398-L442 CarbonylContact O-C 3.51Å; E398-L442 VanDerWaalsContact O-CA 3.28Å; E398-L442 WeakPolarHBondContact O-CA 3.41Å; E398-V443 PolarHBondContact N-O 3.22Å; E398-V443 VanDerWaalsContact N-O 3.08Å; E398-V443 PolarHBondContact O-N 3.48Å
399	P	94	Very high	93.9	Very high	36 Å²	36	46.3 Å²	46.3	23%	0.234	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	141.6	176.4	-27.6	36.9	0	0	0	113.1	S401 N402 V441 L442	P399-S401 PolarHBondContact O-N 2.93Å; P399-S401 VanDerWaalsContact O-N 3.12Å; P399-N402 WeakPolarHBondContact O-CB 3.43Å; P399-N402 PolarHBondContact O-N 3.3Å; P399-V441 CarbonylContact C-O 3.53Å; P399-L442 HydrophobicContact CB-CD2 4.33Å; P399-L442 HydrophobicContact CG-CD2 3.99Å
400	L	96.3	Very high	93.9	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.026	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-54.8	-34.2	179.5	179.3	66.2	0	0	0	111.6	N402 V403 F405 V414 W438 V441 V443 L534 L538	L400-N402 PolarHBondContact O-N 3.45Å; L400-N402 VanDerWaalsContact O-N 3.12Å; L400-V403 PolarHBondContact O-N 3Å; L400-V403 VanDerWaalsContact O-N 3.16Å; L400-F405 HydrophobicContact CD1-CE2 4.19Å; L400-F405 HydrophobicContact CD1-CZ 3.67Å; L400-V414 HydrophobicContact CD1-CG1 4.26Å; L400-V414 HydrophobicContact CD1-CG2 4.32Å; L400-V414 HydrophobicContact CD2-CG1 4.23Å; L400-W438 HydrophobicContact CB-CB 4.32Å; L400-W438 WeakPolarHBondContact CB-O 3.28Å; L400-W438 HydrophobicContact CD2-CB 4.17Å; L400-W438 HydrophobicContact CG-CB 4.49Å; L400-W438 PolarHBondContact N-O 3.02Å; L400-V441 HydrophobicContact CB-CB 3.95Å; L400-V441 HydrophobicContact CB-CG1 4.02Å; L400-V441 WeakPolarHBondContact CB-O 3.43Å; L400-V441 HydrophobicContact CD2-CB 4.2Å; L400-V441 HydrophobicContact CD2-CG1 4.01Å; L400-V441 HydrophobicContact CG-CG1 4.49Å; L400-V441 PolarHBondContact N-O 3.42Å; L400-V443 HydrophobicContact CB-CG2 4.39Å; L400-V443 HydrophobicContact CD1-CG2 3.79Å; L400-L534 HydrophobicContact CD2-CD2 4.19Å; L400-L538 HydrophobicContact CD1-CD2 4.3Å; L400-L538 HydrophobicContact CD2-CD2 4.35Å
401	S	93	Very high	93.8	Very high	31 Å²	31	46.9 Å²	46.9	22%	0.217	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-56.1	-23.9	174.2	63.3	0	0	0	0	114.4	P399 H439	P399-S401 PolarHBondContact O-N 2.93Å; P399-S401 VanDerWaalsContact O-N 3.12Å; S401-H439 VanDerWaalsContact CB-CE1 3.42Å; S401-H439 WeakPolarHBondContact CB-CE1 3.42Å; S401-H439 PolarHBondContact OG-CE1 2.82Å; S401-H439 PolarHBondContact OG-ND1 3.08Å
402	N	92.7	Very high	93.9	Very high	94 Å²	94	48.9 Å²	48.9	50%	0.503	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-101.7	-10.4	-175.6	-61.9	3.2	0	0	0	112.4	P399 L400 R404	P399-N402 WeakPolarHBondContact O-CB 3.43Å; P399-N402 PolarHBondContact O-N 3.3Å; L400-N402 PolarHBondContact O-N 3.45Å; L400-N402 VanDerWaalsContact O-N 3.12Å; N402-R404 PolarHBondContact O-N 2.98Å
403	V	93.2	Very high	94	Very high	24 Å²	24	47.9 Å²	47.9	15%	0.145	24%	0.235	C	C	.	.			trans	-71.2	130.7	-173.4	177.4	0	0	0	0	110.5	E398 L400 F405 V443	E398-V403 HydrophobicContact CG-CG2 4.16Å; L400-V403 PolarHBondContact O-N 3Å; L400-V403 VanDerWaalsContact O-N 3.16Å; V403-F405 HydrophobicContact CB-CE2 4.37Å; V403-F405 HydrophobicContact CG1-CD1 4.2Å; V403-F405 HydrophobicContact CG1-CD2 4.25Å; V403-F405 HydrophobicContact CG1-CE1 4.07Å; V403-F405 HydrophobicContact CG1-CE2 4.09Å; V403-F405 HydrophobicContact CG1-CG 4.34Å; V403-F405 HydrophobicContact CG1-CZ 4.02Å; V403-V443 HydrophobicContact CG2-CB 3.65Å; V403-V443 HydrophobicContact CG2-CG1 4.29Å; V403-V443 HydrophobicContact CG2-CG2 3.82Å
404	R	92.5	Very high	94.1	Very high	194 Å²	194	46.6 Å²	46.6	73%	0.732	23%	0.226	S	C	*	.			trans	-99	109	166.7	-68	-175.1	179.8	-178.8	1.2	109.4	N402	N402-R404 PolarHBondContact O-N 2.98Å
405	F	93.2	Very high	94.3	Very high	11 Å²	11	42.8 Å²	42.8	5%	0.048	21%	0.208	C	C	.	.			trans	-72	136.9	178.9	-69.5	-78.1	0	0	0	112	L400 V403 E410 V414 I467 L538 T542 Y544 P545	L400-F405 HydrophobicContact CD1-CE2 4.19Å; L400-F405 HydrophobicContact CD1-CZ 3.67Å; V403-F405 HydrophobicContact CB-CE2 4.37Å; V403-F405 HydrophobicContact CG1-CD1 4.2Å; V403-F405 HydrophobicContact CG1-CD2 4.25Å; V403-F405 HydrophobicContact CG1-CE1 4.07Å; V403-F405 HydrophobicContact CG1-CE2 4.09Å; V403-F405 HydrophobicContact CG1-CG 4.34Å; V403-F405 HydrophobicContact CG1-CZ 4.02Å; F405-E410 WeakPolarHBondContact CA-OE2 3.1Å; F405-E410 HydrophobicContact CD1-CB 3.42Å; F405-E410 VanDerWaalsContact CD1-CB 3.42Å; F405-E410 HydrophobicContact CD1-CG 4.4Å; F405-E410 WeakPolarHBondContact CD1-OE2 3.43Å; F405-E410 HydrophobicContact CE1-CB 3.85Å; F405-V414 HydrophobicContact CE1-CG2 3.97Å; F405-V414 HydrophobicContact CZ-CG2 4.06Å; F405-I467 HydrophobicContact CE1-CD1 4.08Å; F405-L538 HydrophobicContact CE2-CD2 3.8Å; F405-L538 HydrophobicContact CZ-CD2 3.92Å; F405-T542 HydrophobicContact CD2-CG2 3.39Å; F405-T542 HydrophobicContact CE2-CG2 3.65Å; F405-Y544 HydrophobicContact CB-CD1 3.79Å; F405-Y544 HydrophobicContact CB-CE1 3.91Å; F405-Y544 AromaticContact CD2-CE1 3.92Å; F405-Y544 HydrophobicContact CD2-CE1 3.92Å; F405-Y544 HydrophobicContact CG-CD1 4.33Å; F405-Y544 AromaticContact CG-CE1 3.93Å; F405-Y544 HydrophobicContact CG-CE1 3.93Å; F405-P545 WeakPolarHBondContact O-CD 3.3Å
406	N	91.6	Very high	94.6	Very high	117 Å²	117	38.9 Å²	38.9	63%	0.626	19%	0.191	S	C	*	.	S	Bend	trans	-86.6	-23.5	172.4	-55.4	-68.4	0	0	0	111.9	E410 P545	N406-E410 PolarHBondContact N-OE2 3.17Å; N406-E410 PolarHBondContact ND2-OE1 2.77Å; N406-E410 VanDerWaalsContact ND2-OE1 3.1Å; N406-P545 WeakPolarHBondContact O-CG 3.17Å
407	T	92.2	Very high	94.9	Very high	26 Å²	26	38.4 Å²	38.4	16%	0.16	19%	0.187	C	C	.	.			trans	-149	156.2	178.4	72.3	0	0	0	0	111.4	R409 E410 D548	T407-R409 PolarHBondContact O-N 3.3Å; T407-R409 PolarHBondContact OG1-N 2.77Å; T407-E410 PolarHBondContact N-OE2 3.01Å; T407-E410 VanDerWaalsContact N-OE2 3.14Å; T407-E410 PolarHBondContact O-N 3.24Å; T407-E410 PolarHBondContact OG1-N 2.9Å; T407-D548 WeakPolarHBondContact CA-OD2 3.38Å; T407-D548 VanDerWaalsContact CB-OD2 3.26Å; T407-D548 WeakPolarHBondContact CB-OD2 3.27Å
408	C	92.4	Very high	95.2	Very high	4 Å²	4	37.8 Å²	37.8	3%	0.027	18%	0.181	C	C	.	.	H	α-helix	trans	-66.8	-26.2	170.8	-66.4	0	0	0	0	111.8	E410 A411 R412 Y544 D548 V554	C408-E410 PolarHBondContact O-N 3.45Å; C408-A411 WeakPolarHBondContact O-CB 3.19Å; C408-A411 PolarHBondContact O-N 3.3Å; C408-R412 PolarHBondContact O-N 3.17Å; C408-Y544 VanDerWaalsContact SG-CB 3.52Å; C408-Y544 VanDerWaalsContact SG-CG 3.5Å; C408-D548 PolarHBondContact N-OD2 3.47Å; C408-V554 HydrophobicContact CB-CB 4.02Å; C408-V554 HydrophobicContact CB-CG1 4.04Å; C408-V554 HydrophobicContact CB-CG2 4.46Å; C408-V554 WeakPolarHBondContact O-CG1 3.32Å
409	R	95.5	Very high	95.5	Very high	71 Å²	71	33 Å²	33	27%	0.268	16%	0.158	S	C	.	.	H	α-helix	trans	-62.4	-32.3	177	-63.1	-168.9	-59.1	-79.3	-10.3	112.3	T407 A411 R412 S413 E465 D550 V554	T407-R409 PolarHBondContact O-N 3.3Å; T407-R409 PolarHBondContact OG1-N 2.77Å; R409-A411 VanDerWaalsContact C-N 3.28Å; R409-A411 PolarHBondContact O-N 2.93Å; R409-R412 WeakPolarHBondContact O-CB 3.49Å; R409-R412 PolarHBondContact O-N 3.14Å; R409-S413 PolarHBondContact O-N 2.77Å; R409-E465 HydrophobicContact CB-CG 3.75Å; R409-E465 IonicContact CZ-OE2 3.53Å; R409-E465 IonicContact NE-OE1 2.65Å; R409-E465 IonicContact NE-OE2 3.71Å; R409-E465 PolarHBondContact NE-OE2 3.35Å; R409-E465 IonicContact NH2-OE2 3.25Å; R409-D550 WeakPolarHBondContact CD-OD2 3.47Å; R409-D550 HydrophobicContact CG-CB 4.22Å; R409-D550 IonicContact CZ-OD2 3.58Å; R409-D550 IonicContact NE-OD2 3.86Å; R409-D550 IonicContact NH1-OD2 2.61Å; R409-D550 PolarHBondContact NH1-OD2 2.98Å; R409-V554 HydrophobicContact CG-CG2 4.1Å
410	E	96.3	Very high	95.7	Very high	11 Å²	11	31.2 Å²	31.2	5%	0.051	15%	0.147	C	C	.	.	H	α-helix	trans	-60.3	-37.9	172.7	-72.4	170.4	153.7	0	0	111.3	F405 N406 T407 C408 S413 V414 E465 I467	F405-E410 WeakPolarHBondContact CA-OE2 3.1Å; F405-E410 HydrophobicContact CD1-CB 3.42Å; F405-E410 VanDerWaalsContact CD1-CB 3.42Å; F405-E410 HydrophobicContact CD1-CG 4.4Å; F405-E410 WeakPolarHBondContact CD1-OE2 3.43Å; F405-E410 HydrophobicContact CE1-CB 3.85Å; N406-E410 PolarHBondContact N-OE2 3.17Å; N406-E410 PolarHBondContact ND2-OE1 2.77Å; N406-E410 VanDerWaalsContact ND2-OE1 3.1Å; T407-E410 PolarHBondContact N-OE2 3.01Å; T407-E410 VanDerWaalsContact N-OE2 3.14Å; T407-E410 PolarHBondContact O-N 3.24Å; T407-E410 PolarHBondContact OG1-N 2.9Å; C408-E410 PolarHBondContact O-N 3.45Å; E410-S413 WeakPolarHBondContact O-CB 3.26Å; E410-S413 PolarHBondContact O-N 3.01Å; E410-V414 WeakPolarHBondContact O-CG2 3.44Å; E410-V414 PolarHBondContact O-N 3.37Å; E410-E465 HydrophobicContact CB-CB 4.43Å; E410-E465 HydrophobicContact CG-CB 3.75Å; E410-I467 HydrophobicContact CB-CD1 3.78Å; E410-I467 HydrophobicContact CB-CG1 4.4Å; E410-I467 HydrophobicContact CG-CD1 4.18Å; E410-I467 HydrophobicContact CG-CG1 4.31Å
411	A	95.6	Very high	95.9	Very high	2 Å²	2	31 Å²	31	2%	0.017	15%	0.146	C	C	.	.	H	α-helix	trans	-66.7	-39.7	175.8	0	0	0	0	0	112.9	C408 R409 V414 I415 L538 Y544	C408-A411 WeakPolarHBondContact O-CB 3.19Å; C408-A411 PolarHBondContact O-N 3.3Å; R409-A411 VanDerWaalsContact C-N 3.28Å; R409-A411 PolarHBondContact O-N 2.93Å; A411-V414 WeakPolarHBondContact O-CB 3.5Å; A411-V414 PolarHBondContact O-N 3.04Å; A411-I415 PolarHBondContact O-N 2.97Å; A411-L538 HydrophobicContact CB-CD1 4.28Å; A411-Y544 HydrophobicContact CB-CE1 3.71Å; A411-Y544 VanDerWaalsContact CB-OH 3.29Å; A411-Y544 WeakPolarHBondContact CB-OH 3.42Å
412	R	96.8	Very high	96.1	Very high	52 Å²	52	29.5 Å²	29.5	20%	0.196	14%	0.135	C	C	.	.	H	α-helix	trans	-57.3	-50.3	169.7	176.6	-172.6	-70.1	152.8	-1.1	110.4	C408 R409 V414 I415 E416 V554 E557 Y582	C408-R412 PolarHBondContact O-N 3.17Å; R409-R412 WeakPolarHBondContact O-CB 3.49Å; R409-R412 PolarHBondContact O-N 3.14Å; R412-V414 VanDerWaalsContact C-N 3.28Å; R412-V414 PolarHBondContact O-N 3.3Å; R412-I415 PolarHBondContact O-N 3.41Å; R412-I415 VanDerWaalsContact O-N 3.12Å; R412-E416 WeakPolarHBondContact CD-OE1 3.48Å; R412-E416 HydrophobicContact CG-CG 4.2Å; R412-E416 WeakPolarHBondContact CG-OE1 3.43Å; R412-E416 WeakPolarHBondContact O-CG 3.48Å; R412-E416 PolarHBondContact O-N 2.53Å; R412-V554 HydrophobicContact CB-CG1 3.96Å; R412-E557 IonicContact CZ-OE2 3.96Å; R412-E557 IonicContact NE-OE2 3.01Å; R412-E557 PolarHBondContact NE-OE2 2.83Å; R412-E557 IonicContact NH2-OE1 2.66Å; R412-E557 PolarHBondContact NH2-OE1 3.22Å; R412-E557 IonicContact NH2-OE2 2.87Å; R412-E557 PolarHBondContact NH2-OE2 2.88Å; R412-Y582 WeakPolarHBondContact CG-OH 3.46Å
413	S	98	Very high	96.4	Very high	2 Å²	2	25 Å²	25	1%	0.014	11%	0.111	C	C	.	.	H	α-helix	trans	-56.1	-40.4	177.4	170.1	0	0	0	0	111.9	R409 E410 I415 E416 Q417 F463 T464	R409-S413 PolarHBondContact O-N 2.77Å; E410-S413 WeakPolarHBondContact O-CB 3.26Å; E410-S413 PolarHBondContact O-N 3.01Å; S413-I415 PolarHBondContact O-N 3.25Å; S413-E416 PolarHBondContact O-N 2.75Å; S413-Q417 WeakPolarHBondContact O-CB 3.42Å; S413-Q417 WeakPolarHBondContact O-CG 3.12Å; S413-Q417 PolarHBondContact O-N 3.09Å; S413-Q417 PolarHBondContact OG-NE2 2.95Å; S413-F463 WeakPolarHBondContact CB-O 3.48Å; S413-F463 PolarHBondContact OG-O 2.93Å; S413-F463 VanDerWaalsContact OG-O 3.08Å; S413-T464 PolarHBondContact OG-O 2.93Å
414	V	98.4	Very high	96.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-57.9	-50.9	175.1	168.8	0	0	0	0	111.3	L400 F405 E410 A411 R412 Q417 I418 I467 V469 L538	L400-V414 HydrophobicContact CD1-CG1 4.26Å; L400-V414 HydrophobicContact CD1-CG2 4.32Å; L400-V414 HydrophobicContact CD2-CG1 4.23Å; F405-V414 HydrophobicContact CE1-CG2 3.97Å; F405-V414 HydrophobicContact CZ-CG2 4.06Å; E410-V414 WeakPolarHBondContact O-CG2 3.44Å; E410-V414 PolarHBondContact O-N 3.37Å; A411-V414 WeakPolarHBondContact O-CB 3.5Å; A411-V414 PolarHBondContact O-N 3.04Å; R412-V414 VanDerWaalsContact C-N 3.28Å; R412-V414 PolarHBondContact O-N 3.3Å; V414-Q417 PolarHBondContact O-N 3.17Å; V414-I418 HydrophobicContact CG1-CD1 3.68Å; V414-I418 VanDerWaalsContact O-CG1 3.23Å; V414-I418 WeakPolarHBondContact O-CG1 3.43Å; V414-I418 PolarHBondContact O-N 2.93Å; V414-I467 HydrophobicContact CG2-CD1 3.68Å; V414-V469 HydrophobicContact CB-CG2 4.19Å; V414-V469 HydrophobicContact CG1-CG2 4.19Å; V414-V469 HydrophobicContact CG2-CG2 3.84Å; V414-L538 HydrophobicContact CB-CD1 4.28Å; V414-L538 HydrophobicContact CG1-CD1 4.01Å
415	I	98.5	Very high	97	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-66.5	-41.7	-178.5	-64.9	-58.8	0	0	0	111.6	A411 R412 S413 I418 A419 L534 M535 L538 L558 L561 Y582	A411-I415 PolarHBondContact O-N 2.97Å; R412-I415 PolarHBondContact O-N 3.41Å; R412-I415 VanDerWaalsContact O-N 3.12Å; S413-I415 PolarHBondContact O-N 3.25Å; I415-I418 PolarHBondContact O-N 2.82Å; I415-A419 VanDerWaalsContact O-CB 3.28Å; I415-A419 WeakPolarHBondContact O-CB 3.48Å; I415-A419 PolarHBondContact O-N 3.07Å; I415-L534 HydrophobicContact CD1-CB 4.26Å; I415-M535 HydrophobicContact CD1-CB 4.5Å; I415-M535 HydrophobicContact CD1-CG 3.51Å; I415-M535 HydrophobicContact CG1-CG 3.9Å; I415-M535 HydrophobicContact CG2-CG 4.26Å; I415-M535 HydrophobicContact CG2-SD 4.24Å; I415-L538 HydrophobicContact CD1-CD1 3.7Å; I415-L538 HydrophobicContact CG1-CD1 3.72Å; I415-L558 HydrophobicContact CB-CD1 4.44Å; I415-L558 HydrophobicContact CG1-CD1 3.86Å; I415-L558 HydrophobicContact CG2-CD1 4.47Å; I415-L561 HydrophobicContact CG2-CD2 4.02Å; I415-Y582 HydrophobicContact CG2-CE1 4.25Å
416	E	98.7	Very high	97.2	Very high	11 Å²	11	14.5 Å²	14.5	5%	0.051	7%	0.069	C	C	.	.	H	α-helix	trans	-59.7	-47.6	176	-71.9	175.8	171.8	0	0	111.8	R412 S413 L420 V462 Y582 F583	R412-E416 WeakPolarHBondContact CD-OE1 3.48Å; R412-E416 HydrophobicContact CG-CG 4.2Å; R412-E416 WeakPolarHBondContact CG-OE1 3.43Å; R412-E416 WeakPolarHBondContact O-CG 3.48Å; R412-E416 PolarHBondContact O-N 2.53Å; S413-E416 PolarHBondContact O-N 2.75Å; E416-L420 WeakPolarHBondContact O-CB 3.37Å; E416-L420 PolarHBondContact O-N 2.95Å; E416-L420 VanDerWaalsContact O-N 3.14Å; E416-V462 HydrophobicContact CB-CB 4.46Å; E416-V462 HydrophobicContact CB-CG1 3.77Å; E416-V462 HydrophobicContact CB-CG2 3.82Å; E416-V462 WeakPolarHBondContact OE2-CG1 3.44Å; E416-Y582 HydrophobicContact CG-CE1 3.89Å; E416-F583 HydrophobicContact CG-CE1 4.45Å
417	Q	98.9	Very high	97.6	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-62.8	-42.5	178.4	-70.3	-176.7	55.6	0	0	112	N343 S413 V414 S421 L451 Y453 V462 I467 V469	N343-Q417 PolarHBondContact ND2-OE1 2.84Å; S413-Q417 WeakPolarHBondContact O-CB 3.42Å; S413-Q417 WeakPolarHBondContact O-CG 3.12Å; S413-Q417 PolarHBondContact O-N 3.09Å; S413-Q417 PolarHBondContact OG-NE2 2.95Å; V414-Q417 PolarHBondContact O-N 3.17Å; Q417-S421 VanDerWaalsContact O-CB 3.27Å; Q417-S421 WeakPolarHBondContact O-CB 3.32Å; Q417-S421 PolarHBondContact O-N 3.4Å; Q417-S421 PolarHBondContact O-OG 3.01Å; Q417-L451 HydrophobicContact CG-CD1 4.4Å; Q417-L451 VanDerWaalsContact OE1-CD1 3.31Å; Q417-Y453 WeakPolarHBondContact CG-OH 3.21Å; Q417-V462 HydrophobicContact CG-CB 4.41Å; Q417-V462 HydrophobicContact CG-CG1 3.83Å; Q417-I467 PolarHBondContact NE2-O 3.36Å; Q417-I467 VanDerWaalsContact NE2-O 3.08Å; Q417-V469 HydrophobicContact CB-CB 4.22Å; Q417-V469 HydrophobicContact CB-CG2 4.29Å
418	I	98.9	Very high	97.8	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-69.9	-51.2	-179	-65.8	170.9	0	0	0	110.7	V414 I415 L420 S421 L422 L436 V441 V469 I471 L531 L534	V414-I418 HydrophobicContact CG1-CD1 3.68Å; V414-I418 VanDerWaalsContact O-CG1 3.23Å; V414-I418 WeakPolarHBondContact O-CG1 3.43Å; V414-I418 PolarHBondContact O-N 2.93Å; I415-I418 PolarHBondContact O-N 2.82Å; I418-L420 PolarHBondContact O-N 3.43Å; I418-S421 WeakPolarHBondContact O-CB 3.4Å; I418-S421 PolarHBondContact O-N 3.16Å; I418-S421 VanDerWaalsContact O-N 3.07Å; I418-L422 HydrophobicContact CG2-CD1 3.85Å; I418-L422 HydrophobicContact CG2-CG 4.29Å; I418-L422 WeakPolarHBondContact O-CG 3.06Å; I418-L422 PolarHBondContact O-N 3.3Å; I418-L436 HydrophobicContact CG2-CD2 3.9Å; I418-V441 HydrophobicContact CD1-CG1 3.79Å; I418-V441 HydrophobicContact CD1-CG2 4.07Å; I418-V469 HydrophobicContact CD1-CG1 4.1Å; I418-V469 HydrophobicContact CG1-CG1 3.74Å; I418-I471 HydrophobicContact CG2-CD1 4.25Å; I418-L531 HydrophobicContact CB-CD2 4.32Å; I418-L531 HydrophobicContact CG2-CD2 3.74Å; I418-L534 HydrophobicContact CD1-CD1 3.75Å; I418-L534 HydrophobicContact CG2-CD1 4.11Å
419	A	98.9	Very high	98.1	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-61.8	-43.6	-176	0	0	0	0	0	112.2	I415 S421 L422 A423 L531 V577 F583	I415-A419 VanDerWaalsContact O-CB 3.28Å; I415-A419 WeakPolarHBondContact O-CB 3.48Å; I415-A419 PolarHBondContact O-N 3.07Å; A419-S421 VanDerWaalsContact C-N 3.28Å; A419-S421 PolarHBondContact O-N 2.73Å; A419-L422 PolarHBondContact O-N 3.31Å; A419-A423 VanDerWaalsContact O-CB 3.27Å; A419-A423 WeakPolarHBondContact O-CB 3.23Å; A419-A423 PolarHBondContact O-N 2.69Å; A419-L531 HydrophobicContact CB-CD1 3.97Å; A419-L531 HydrophobicContact CB-CD2 4.02Å; A419-V577 HydrophobicContact CB-CG1 3.96Å; A419-F583 HydrophobicContact CB-CE1 3.67Å; A419-F583 HydrophobicContact CB-CZ 3.54Å
420	L	98.8	Very high	98.2	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-67	-29.6	175.9	-75.9	166.2	0	0	0	112.7	E416 I418 A424 Y453 V455 Y460 V462 V577 C586	E416-L420 WeakPolarHBondContact O-CB 3.37Å; E416-L420 PolarHBondContact O-N 2.95Å; E416-L420 VanDerWaalsContact O-N 3.14Å; I418-L420 PolarHBondContact O-N 3.43Å; L420-A424 WeakPolarHBondContact O-CB 3.44Å; L420-A424 PolarHBondContact O-N 3.35Å; L420-Y453 HydrophobicContact CB-CD1 3.95Å; L420-Y453 HydrophobicContact CB-CD2 4.36Å; L420-Y453 HydrophobicContact CB-CE1 4.39Å; L420-Y453 HydrophobicContact CB-CG 3.95Å; L420-Y453 HydrophobicContact CD1-CD2 4Å; L420-Y453 HydrophobicContact CD1-CE2 4.47Å; L420-Y453 HydrophobicContact CD1-CG 4.32Å; L420-V455 HydrophobicContact CD2-CG2 4.25Å; L420-Y460 HydrophobicContact CD1-CD1 4.49Å; L420-Y460 HydrophobicContact CD1-CG 4.4Å; L420-Y460 HydrophobicContact CD2-CD1 3.66Å; L420-Y460 HydrophobicContact CD2-CD2 3.83Å; L420-Y460 HydrophobicContact CD2-CE1 4Å; L420-Y460 HydrophobicContact CD2-CE2 4.19Å; L420-Y460 HydrophobicContact CD2-CG 3.55Å; L420-V462 HydrophobicContact CD1-CG2 3.39Å; L420-V577 HydrophobicContact CD2-CB 3.88Å; L420-V577 HydrophobicContact CD2-CG1 3.99Å; L420-V577 HydrophobicContact CD2-CG2 4.1Å; L420-V577 HydrophobicContact CG-CG1 4.22Å; L420-C586 HydrophobicContact CD1-CB 4.25Å
421	S	98.9	Very high	98.3	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-72.4	-45	176.1	-61.8	0	0	0	0	112.3	S341 N343 F344 Q417 I418 A419 A424 A425	S341-S421 VanDerWaalsContact OG-CB 3.23Å; S341-S421 WeakPolarHBondContact OG-CB 3.33Å; S341-S421 PolarHBondContact OG-OG 3.22Å; N343-S421 WeakPolarHBondContact CB-OG 3.31Å; F344-S421 WeakPolarHBondContact CE2-O 3.44Å; Q417-S421 VanDerWaalsContact O-CB 3.27Å; Q417-S421 WeakPolarHBondContact O-CB 3.32Å; Q417-S421 PolarHBondContact O-N 3.4Å; Q417-S421 PolarHBondContact O-OG 3.01Å; I418-S421 WeakPolarHBondContact O-CB 3.4Å; I418-S421 PolarHBondContact O-N 3.16Å; I418-S421 VanDerWaalsContact O-N 3.07Å; A419-S421 VanDerWaalsContact C-N 3.28Å; A419-S421 PolarHBondContact O-N 2.73Å; S421-A424 PolarHBondContact O-N 3.28Å; S421-A425 WeakPolarHBondContact O-CB 3.11Å; S421-A425 PolarHBondContact O-N 3.42Å
422	L	98.9	Very high	98.4	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-61.5	-45.6	173.5	-66	173.9	0	0	0	110.5	I418 A419 A424 A425 E426 F431 L436 I471 N527 L531 A573	I418-L422 HydrophobicContact CG2-CD1 3.85Å; I418-L422 HydrophobicContact CG2-CG 4.29Å; I418-L422 WeakPolarHBondContact O-CG 3.06Å; I418-L422 PolarHBondContact O-N 3.3Å; A419-L422 PolarHBondContact O-N 3.31Å; L422-A424 PolarHBondContact O-N 2.98Å; L422-A425 CarbonylContact O-C 3.4Å; L422-A425 PolarHBondContact O-N 3.1Å; L422-A425 VanDerWaalsContact O-N 3.13Å; L422-E426 WeakPolarHBondContact O-CB 3.38Å; L422-E426 WeakPolarHBondContact O-CG 3.47Å; L422-E426 PolarHBondContact O-N 3.46Å; L422-F431 HydrophobicContact CD2-CD1 4.25Å; L422-F431 HydrophobicContact CD2-CE1 3.91Å; L422-L436 HydrophobicContact CD1-CD2 3.84Å; L422-L436 HydrophobicContact CD2-CD2 4.27Å; L422-I471 HydrophobicContact CD2-CD1 4.21Å; L422-I471 HydrophobicContact CG-CD1 4.39Å; L422-N527 HydrophobicContact CD1-CB 4.14Å; L422-L531 HydrophobicContact CD1-CD1 4.26Å; L422-L531 HydrophobicContact CD1-CD2 4.25Å; L422-L531 HydrophobicContact CD1-CG 4.01Å; L422-A573 HydrophobicContact CB-CB 3.89Å
423	A	98.8	Very high	98.5	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-58.7	-43.5	176.1	0	0	0	0	0	113	A419 A425 S427 V455 A573 T574 V577	A419-A423 VanDerWaalsContact O-CB 3.27Å; A419-A423 WeakPolarHBondContact O-CB 3.23Å; A419-A423 PolarHBondContact O-N 2.69Å; A423-A425 VanDerWaalsContact C-N 3.32Å; A423-A425 PolarHBondContact O-N 3Å; A423-S427 WeakPolarHBondContact O-CB 3.32Å; A423-S427 PolarHBondContact O-N 3.41Å; A423-V455 HydrophobicContact CB-CG1 3.89Å; A423-V455 HydrophobicContact CB-CG2 3.93Å; A423-A573 HydrophobicContact CB-CB 4.27Å; A423-T574 PolarHBondContact O-OG1 3.05Å; A423-V577 HydrophobicContact CB-CG1 4.16Å; A423-V577 HydrophobicContact CB-CG2 3.53Å
424	A	98.7	Very high	98.4	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-63.7	-38.7	176	0	0	0	0	0	112	L420 S421 L422 A428 R454 V455	L420-A424 WeakPolarHBondContact O-CB 3.44Å; L420-A424 PolarHBondContact O-N 3.35Å; S421-A424 PolarHBondContact O-N 3.28Å; L422-A424 PolarHBondContact O-N 2.98Å; A424-A428 VanDerWaalsContact O-CB 3.26Å; A424-A428 WeakPolarHBondContact O-CB 3.4Å; A424-A428 PolarHBondContact O-N 3.16Å; A424-A428 VanDerWaalsContact O-N 3.11Å; A424-R454 WeakPolarHBondContact CB-O 3.42Å; A424-V455 HydrophobicContact CB-CG2 4.23Å
425	A	98.8	Very high	98.3	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-73.6	-40.8	178.6	0	0	0	0	0	112.5	L329 L332 F344 S421 L422 A423 S427 A428 L429 Q430 F431	L329-A425 HydrophobicContact CD2-CB 4.37Å; L332-A425 HydrophobicContact CD1-CB 3.71Å; F344-A425 HydrophobicContact CE2-CB 3.86Å; F344-A425 HydrophobicContact CZ-CB 3.58Å; S421-A425 WeakPolarHBondContact O-CB 3.11Å; S421-A425 PolarHBondContact O-N 3.42Å; L422-A425 CarbonylContact O-C 3.4Å; L422-A425 PolarHBondContact O-N 3.1Å; L422-A425 VanDerWaalsContact O-N 3.13Å; A423-A425 VanDerWaalsContact C-N 3.32Å; A423-A425 PolarHBondContact O-N 3Å; A425-S427 PolarHBondContact O-N 3.06Å; A425-A428 PolarHBondContact O-N 3.35Å; A425-L429 CarbonylContact O-C 3.56Å; A425-L429 WeakPolarHBondContact O-CA 3.23Å; A425-L429 WeakPolarHBondContact O-CB 3.22Å; A425-L429 PolarHBondContact O-N 3.14Å; A425-Q430 PolarHBondContact O-N 2.98Å; A425-F431 HydrophobicContact CB-CB 3.6Å; A425-F431 HydrophobicContact CB-CD1 3.68Å; A425-F431 HydrophobicContact CB-CG 3.84Å; A425-F431 PolarHBondContact O-N 2.89Å
426	E	98.6	Very high	98.2	Very high	7 Å²	7	7 Å²	7	3%	0.033	4%	0.043	C	C	.	.	H	α-helix	trans	-55.5	-51.2	170.3	-77	176.2	176.2	0	0	110.7	L422 A428 Q430 F431 F522 P524 N527 S572 A573 T574	L422-E426 WeakPolarHBondContact O-CB 3.38Å; L422-E426 WeakPolarHBondContact O-CG 3.47Å; L422-E426 PolarHBondContact O-N 3.46Å; E426-A428 VanDerWaalsContact C-N 3.29Å; E426-A428 PolarHBondContact O-N 3.39Å; E426-Q430 VanDerWaalsContact O-CA 3.23Å; E426-Q430 WeakPolarHBondContact O-CA 3.43Å; E426-Q430 PolarHBondContact O-N 3.22Å; E426-F431 WeakPolarHBondContact CG-O 3.41Å; E426-F522 HydrophobicContact CB-CZ 4.18Å; E426-F522 HydrophobicContact CG-CE2 4.48Å; E426-F522 HydrophobicContact CG-CZ 4.1Å; E426-P524 HydrophobicContact CG-CB 4.33Å; E426-N527 WeakPolarHBondContact CG-ND2 3.27Å; E426-N527 PolarHBondContact OE1-ND2 2.96Å; E426-S572 WeakPolarHBondContact OE2-CB 3.15Å; E426-A573 WeakPolarHBondContact OE1-CB 3.35Å; E426-A573 PolarHBondContact OE1-N 3.47Å; E426-A573 PolarHBondContact OE2-N 3.04Å; E426-T574 WeakPolarHBondContact CB-OG1 3.41Å; E426-T574 WeakPolarHBondContact OE2-CB 3.34Å; E426-T574 PolarHBondContact OE2-N 2.95Å; E426-T574 PolarHBondContact OE2-OG1 3.07Å
427	S	98	Very high	98	Very high	50 Å²	50	7.3 Å²	7.3	35%	0.35	4%	0.044	S	C	.	.	H	α-helix	trans	-67.6	-27.4	-177.4	179.6	0	0	0	0	113.6	N339 A423 A425 G456	N339-S427 PolarHBondContact ND2-O 3.29Å; N339-S427 PolarHBondContact ND2-OG 2.65Å; N339-S427 VanDerWaalsContact OD1-CB 3.29Å; N339-S427 WeakPolarHBondContact OD1-CB 3.37Å; N339-S427 PolarHBondContact OD1-OG 3.19Å; N339-S427 VanDerWaalsContact OD1-OG 3.07Å; A423-S427 WeakPolarHBondContact O-CB 3.32Å; A423-S427 PolarHBondContact O-N 3.41Å; A425-S427 PolarHBondContact O-N 3.06Å; S427-G456 PolarHBondContact OG-N 3.14Å
428	A	97.5	Very high	97.9	Very high	25 Å²	25	9.1 Å²	9.1	21%	0.207	5%	0.051	C	C	.	.	H	α-helix	trans	-93.9	-36.2	-178.3	0	0	0	0	0	114	L332 Y336 N339 A424 A425 E426	L332-A428 HydrophobicContact CD2-CB 3.64Å; Y336-A428 HydrophobicContact CD1-CB 4.16Å; Y336-A428 HydrophobicContact CE1-CB 4.38Å; Y336-A428 HydrophobicContact CG-CB 4.49Å; N339-A428 HydrophobicContact CB-CB 3.68Å; N339-A428 WeakPolarHBondContact ND2-CA 3.32Å; N339-A428 PolarHBondContact ND2-N 3.24Å; A424-A428 VanDerWaalsContact O-CB 3.26Å; A424-A428 WeakPolarHBondContact O-CB 3.4Å; A424-A428 PolarHBondContact O-N 3.16Å; A424-A428 VanDerWaalsContact O-N 3.11Å; A425-A428 PolarHBondContact O-N 3.35Å; E426-A428 VanDerWaalsContact C-N 3.29Å; E426-A428 PolarHBondContact O-N 3.39Å
429	L	97.6	Very high	97.6	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-135.7	7.4	-161.7	-66	173.8	0	0	0	112.3	K328 L329 L332 Y336 A425 F431 L479 C480 H481	K328-L429 HydrophobicContact CB-CD1 4.17Å; L329-L429 HydrophobicContact CD2-CD1 4.1Å; L332-L429 HydrophobicContact CD1-CD1 4.23Å; L332-L429 HydrophobicContact CG-CD1 4.32Å; Y336-L429 HydrophobicContact CE1-CD2 4.41Å; Y336-L429 WeakPolarHBondContact OH-CD2 3.42Å; A425-L429 CarbonylContact O-C 3.56Å; A425-L429 WeakPolarHBondContact O-CA 3.23Å; A425-L429 WeakPolarHBondContact O-CB 3.22Å; A425-L429 PolarHBondContact O-N 3.14Å; L429-F431 HydrophobicContact CB-CB 4.39Å; L429-F431 PolarHBondContact O-N 3.5Å; L429-F431 VanDerWaalsContact O-N 3.11Å; L429-L479 HydrophobicContact CB-CB 4.3Å; L429-L479 CarbonylContact O-C 3.47Å; L429-L479 WeakPolarHBondContact O-CA 3.39Å; L429-L479 WeakPolarHBondContact O-CB 3.4Å; L429-C480 CarbonylContact C-O 3.59Å; L429-C480 VanDerWaalsContact CA-O 3.31Å; L429-C480 WeakPolarHBondContact CA-O 3.23Å; L429-C480 PolarHBondContact O-N 3.31Å; L429-C480 VanDerWaalsContact O-O 3.1Å; L429-H481 HydrophobicContact CD2-CB 3.9Å; L429-H481 WeakPolarHBondContact CD2-ND1 3.43Å
430	Q	97.9	Very high	97.4	Very high	46 Å²	46	13.6 Å²	13.6	22%	0.215	7%	0.072	C	C	.	.			trans	46.2	45	-172.4	-62.9	176.9	-9.1	0	0	111.2	E223 A425 E426 R478 C480 F522	E223-Q430 PolarHBondContact OE2-NE2 3.36Å; A425-Q430 PolarHBondContact O-N 2.98Å; E426-Q430 VanDerWaalsContact O-CA 3.23Å; E426-Q430 WeakPolarHBondContact O-CA 3.43Å; E426-Q430 PolarHBondContact O-N 3.22Å; Q430-R478 PolarHBondContact O-NH1 3.28Å; Q430-C480 HydrophobicContact CB-CB 4.29Å; Q430-F522 HydrophobicContact CB-CB 4.39Å; Q430-F522 HydrophobicContact CB-CD1 3.78Å; Q430-F522 HydrophobicContact CB-CD2 3.91Å; Q430-F522 HydrophobicContact CB-CE1 3.93Å; Q430-F522 HydrophobicContact CB-CE2 4.07Å; Q430-F522 HydrophobicContact CB-CG 3.77Å; Q430-F522 HydrophobicContact CB-CZ 4.05Å; Q430-F522 HydrophobicContact CG-CD1 3.91Å; Q430-F522 HydrophobicContact CG-CE1 4.1Å; Q430-F522 HydrophobicContact CG-CG 4.32Å; Q430-F522 WeakPolarHBondContact O-CD2 3.41Å; Q430-F522 WeakPolarHBondContact O-CE2 3.37Å
431	F	98.5	Very high	97.4	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.072	C	C	.	.			trans	-78.8	137.9	-170	176.5	-103.6	0	0	0	112.8	L329 F344 L422 A425 E426 L429 H433 F474 R478 L479 N527	L329-F431 HydrophobicContact CD1-CD2 4.37Å; L329-F431 HydrophobicContact CD1-CE2 3.71Å; L329-F431 HydrophobicContact CD1-CZ 4.1Å; L329-F431 HydrophobicContact CD2-CD2 3.87Å; L329-F431 HydrophobicContact CD2-CE2 3.97Å; L329-F431 HydrophobicContact CD2-CG 4.22Å; L329-F431 HydrophobicContact CD2-CZ 4.41Å; L329-F431 HydrophobicContact CG-CE2 4.41Å; F344-F431 HydrophobicContact CE1-CD1 4.48Å; F344-F431 AromaticContact CE1-CE1 3.88Å; F344-F431 HydrophobicContact CE1-CE1 3.88Å; F344-F431 HydrophobicContact CE1-CZ 4.2Å; F344-F431 HydrophobicContact CZ-CD1 4.45Å; F344-F431 HydrophobicContact CZ-CE1 4.25Å; L422-F431 HydrophobicContact CD2-CD1 4.25Å; L422-F431 HydrophobicContact CD2-CE1 3.91Å; A425-F431 HydrophobicContact CB-CB 3.6Å; A425-F431 HydrophobicContact CB-CD1 3.68Å; A425-F431 HydrophobicContact CB-CG 3.84Å; A425-F431 PolarHBondContact O-N 2.89Å; E426-F431 WeakPolarHBondContact CG-O 3.41Å; L429-F431 HydrophobicContact CB-CB 4.39Å; L429-F431 PolarHBondContact O-N 3.5Å; L429-F431 VanDerWaalsContact O-N 3.11Å; F431-H433 HydrophobicContact CE1-CB 3.87Å; F431-H433 HydrophobicContact CZ-CB 3.96Å; F431-H433 AromaticContact CZ-CD2 3.76Å; F431-F474 HydrophobicContact CZ-CD1 4.32Å; F431-R478 CarbonylContact C-O 3.48Å; F431-R478 VanDerWaalsContact CA-O 3.3Å; F431-R478 WeakPolarHBondContact CA-O 3.43Å; F431-L479 HydrophobicContact CD2-CB 4.19Å; F431-L479 HydrophobicContact CD2-CD2 4.29Å; F431-N527 PolarHBondContact O-ND2 3.27Å
432	E	98.6	Very high	97.3	Very high	2 Å²	2	14.7 Å²	14.7	1%	0.009	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-126.5	129.6	164.5	-61.2	175.4	-117.2	0	0	109	R434 S477 R478 F522 H523 S526 N527	E432-R434 HydrophobicContact CB-CG 3.82Å; E432-R434 IonicContact OE1-CZ 3.97Å; E432-R434 IonicContact OE1-NE 3.67Å; E432-R434 IonicContact OE1-NH2 3.87Å; E432-R434 PolarHBondContact OE1-NH2 2.92Å; E432-R434 IonicContact OE2-CZ 3.82Å; E432-R434 IonicContact OE2-NE 3.73Å; E432-R434 PolarHBondContact OE2-NE 3.08Å; E432-R434 IonicContact OE2-NH2 3.4Å; E432-R434 PolarHBondContact OE2-NH2 3.42Å; E432-S477 CarbonylContact O-C 3.55Å; E432-S477 VanDerWaalsContact O-CA 3.23Å; E432-S477 WeakPolarHBondContact O-CA 3.27Å; E432-S477 VanDerWaalsContact O-CB 3.25Å; E432-S477 WeakPolarHBondContact O-CB 3.35Å; E432-R478 HydrophobicContact CB-CB 4.34Å; E432-R478 PolarHBondContact N-O 3.23Å; E432-R478 PolarHBondContact O-N 3.24Å; E432-F522 HydrophobicContact CG-CD2 3.86Å; E432-F522 HydrophobicContact CG-CE2 3.91Å; E432-F522 WeakPolarHBondContact OE1-CA 3.25Å; E432-H523 VanDerWaalsContact CD-O 3.28Å; E432-H523 PolarHBondContact OE1-N 2.93Å; E432-S526 WeakPolarHBondContact CB-OG 3.34Å; E432-S526 VanDerWaalsContact CG-OG 3.32Å; E432-S526 WeakPolarHBondContact CG-OG 3.39Å; E432-S526 WeakPolarHBondContact OE2-CB 3.42Å; E432-S526 PolarHBondContact OE2-OG 3.24Å; E432-N527 WeakPolarHBondContact CA-OD1 3.31Å
433	H	98	Very high	97.2	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.			trans	-72.5	-42.9	178.4	-164	-79.8	0	0	0	112.5	F431 D435 L436 I471 I472 D473 F474 S477 N527	F431-H433 HydrophobicContact CE1-CB 3.87Å; F431-H433 HydrophobicContact CZ-CB 3.96Å; F431-H433 AromaticContact CZ-CD2 3.76Å; H433-D435 PolarHBondContact CE1-O 3.05Å; H433-D435 PolarHBondContact ND1-N 3.2Å; H433-D435 PolarHBondContact ND1-O 3.32Å; H433-D435 VanDerWaalsContact ND1-O 3.14Å; H433-D435 PolarHBondContact O-N 2.59Å; H433-L436 HydrophobicContact CB-CB 4.01Å; H433-L436 PolarHBondContact ND1-N 3.29Å; H433-I471 WeakPolarHBondContact CD2-CG2 3.42Å; H433-I471 VanDerWaalsContact NE2-CG2 3.32Å; H433-I471 WeakPolarHBondContact NE2-CG2 3.45Å; H433-I472 PolarHBondContact CE1-O 2.97Å; H433-I472 VanDerWaalsContact CE1-O 3.3Å; H433-I472 PolarHBondContact NE2-O 3.35Å; H433-D473 PolarHBondContact CE1-O 3.11Å; H433-F474 AromaticContact NE2-CD1 3.71Å; H433-F474 AromaticContact NE2-CE1 3.96Å; H433-S477 VanDerWaalsContact O-CA 3.31Å; H433-S477 WeakPolarHBondContact O-CA 3.38Å; H433-S477 PolarHBondContact O-OG 3.44Å; H433-N527 PolarHBondContact N-OD1 2.96Å; H433-N527 VanDerWaalsContact N-OD1 3.07Å
434	R	96.8	Very high	97.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	S	Bend	trans	62.3	-12.3	-179.2	-58.7	-176.1	173.5	174.5	1.8	117.3	E432 V476 M511 W519 P521 W530	E432-R434 HydrophobicContact CB-CG 3.82Å; E432-R434 IonicContact OE1-CZ 3.97Å; E432-R434 IonicContact OE1-NE 3.67Å; E432-R434 IonicContact OE1-NH2 3.87Å; E432-R434 PolarHBondContact OE1-NH2 2.92Å; E432-R434 IonicContact OE2-CZ 3.82Å; E432-R434 IonicContact OE2-NE 3.73Å; E432-R434 PolarHBondContact OE2-NE 3.08Å; E432-R434 IonicContact OE2-NH2 3.4Å; E432-R434 PolarHBondContact OE2-NH2 3.42Å; R434-V476 HydrophobicContact CB-CG2 4.09Å; R434-V476 WeakPolarHBondContact CB-O 3.34Å; R434-V476 WeakPolarHBondContact CD-O 3.39Å; R434-M511 HydrophobicContact CB-CE 4.5Å; R434-M511 HydrophobicContact CB-SD 4.21Å; R434-M511 HydrophobicContact CG-SD 4.28Å; R434-M511 VanDerWaalsContact O-CE 3.23Å; R434-M511 WeakPolarHBondContact O-CE 3.45Å; R434-W519 VanDerWaalsContact CZ-O 3.24Å; R434-W519 PolarHBondContact NH1-O 3.39Å; R434-W519 PolarHBondContact NH2-O 3.02Å; R434-P521 PolarHBondContact NH2-O 3.37Å; R434-W530 WeakPolarHBondContact O-CZ2 3.4Å; R434-W530 PolarHBondContact O-NE1 3.15Å; R434-W530 VanDerWaalsContact O-NE1 3.12Å
435	D	95.2	Very high	97	Very high	5 Å²	5	23.6 Å²	23.6	3%	0.027	13%	0.127	C	C	.	.			trans	-141.8	59.5	169.5	-176.4	21.2	0	0	0	112.6	H433 H437 N440 V476 Y508 W530	H433-D435 PolarHBondContact CE1-O 3.05Å; H433-D435 PolarHBondContact ND1-N 3.2Å; H433-D435 PolarHBondContact ND1-O 3.32Å; H433-D435 VanDerWaalsContact ND1-O 3.14Å; H433-D435 PolarHBondContact O-N 2.59Å; D435-H437 VanDerWaalsContact C-N 3.29Å; D435-H437 PolarHBondContact O-N 3.23Å; D435-H437 IonicContact OD1-CD2 3.76Å; D435-H437 PolarHBondContact OD1-CD2 2.82Å; D435-H437 IonicContact OD1-CG 2.91Å; D435-H437 IonicContact OD1-NE2 3.6Å; D435-H437 IonicContact OD2-CD2 3.84Å; D435-H437 IonicContact OD2-NE2 2.67Å; D435-N440 PolarHBondContact O-ND2 2.77Å; D435-V476 HydrophobicContact CB-CG2 3.48Å; D435-V476 VanDerWaalsContact CB-CG2 3.48Å; D435-Y508 PolarHBondContact OD1-OH 3.2Å; D435-W530 VanDerWaalsContact CA-CZ2 3.48Å
436	L	97.4	Very high	96.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.134	C	C	.	.			trans	-95.4	50.1	-175.8	-168.9	64.4	0	0	0	111.8	I418 L422 H433 V441 I471 W530 L534	I418-L436 HydrophobicContact CG2-CD2 3.9Å; L422-L436 HydrophobicContact CD1-CD2 3.84Å; L422-L436 HydrophobicContact CD2-CD2 4.27Å; H433-L436 HydrophobicContact CB-CB 4.01Å; H433-L436 PolarHBondContact ND1-N 3.29Å; L436-V441 HydrophobicContact CD1-CG2 3.9Å; L436-V441 HydrophobicContact CG-CG2 4.31Å; L436-I471 HydrophobicContact CD1-CB 4.44Å; L436-I471 HydrophobicContact CD1-CG1 4.32Å; L436-I471 HydrophobicContact CD1-CG2 3.51Å; L436-W530 HydrophobicContact CB-CB 3.84Å; L436-W530 HydrophobicContact CB-CD2 3.98Å; L436-W530 HydrophobicContact CB-CE3 4.27Å; L436-W530 HydrophobicContact CB-CG 3.78Å; L436-W530 HydrophobicContact CD2-CB 4.43Å; L436-W530 VanDerWaalsContact N-CD2 3.29Å; L436-W530 VanDerWaalsContact N-CE2 3.33Å; L436-W530 VanDerWaalsContact O-CE3 3.27Å; L436-L534 HydrophobicContact CD2-CD1 3.96Å; L436-L534 HydrophobicContact CG-CD1 4.05Å
437	H	95.3	Very high	96.8	Very high	17 Å²	17	36.6 Å²	36.6	8%	0.079	18%	0.178	C	C	.	.			trans	-68	161.1	171.1	62	42.2	0	0	0	110.8	D435 H439 N440 Q504 W530 Y533	D435-H437 VanDerWaalsContact C-N 3.29Å; D435-H437 PolarHBondContact O-N 3.23Å; D435-H437 IonicContact OD1-CD2 3.76Å; D435-H437 PolarHBondContact OD1-CD2 2.82Å; D435-H437 IonicContact OD1-CG 2.91Å; D435-H437 IonicContact OD1-NE2 3.6Å; D435-H437 IonicContact OD2-CD2 3.84Å; D435-H437 IonicContact OD2-NE2 2.67Å; H437-H439 PolarHBondContact ND1-N 3.08Å; H437-H439 PolarHBondContact O-N 2.83Å; H437-N440 PolarHBondContact CE1-ND2 3.46Å; H437-N440 PolarHBondContact CE1-OD1 3.31Å; H437-N440 VanDerWaalsContact CE1-OD1 3.23Å; H437-N440 PolarHBondContact ND1-N 3.29Å; H437-N440 WeakPolarHBondContact O-CA 3.3Å; H437-N440 WeakPolarHBondContact O-CB 3.36Å; H437-N440 PolarHBondContact O-N 3.05Å; H437-Q504 PolarHBondContact CD2-OE1 2.94Å; H437-W530 HydrophobicContact CB-CH2 4.24Å; H437-W530 HydrophobicContact CB-CZ3 3.79Å; H437-W530 VanDerWaalsContact N-CZ3 3.31Å; H437-Y533 HydrophobicContact CB-CE1 4.08Å
438	W	96	Very high	96.8	Very high	39 Å²	39	39.3 Å²	39.3	15%	0.148	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-62.9	-15.2	-172.6	63	-8.3	0	0	0	115	L400 N440 Y533 L534 K537 E541	L400-W438 HydrophobicContact CB-CB 4.32Å; L400-W438 WeakPolarHBondContact CB-O 3.28Å; L400-W438 HydrophobicContact CD2-CB 4.17Å; L400-W438 HydrophobicContact CG-CB 4.49Å; L400-W438 PolarHBondContact N-O 3.02Å; W438-N440 VanDerWaalsContact C-N 3.32Å; W438-Y533 HydrophobicContact CB-CE1 4.47Å; W438-L534 HydrophobicContact CB-CD2 4.07Å; W438-K537 HydrophobicContact CD2-CB 4.34Å; W438-K537 HydrophobicContact CD2-CD 4Å; W438-K537 HydrophobicContact CD2-CG 3.93Å; W438-K537 HydrophobicContact CE3-CB 3.65Å; W438-K537 HydrophobicContact CE3-CD 3.8Å; W438-K537 HydrophobicContact CE3-CG 3.71Å; W438-K537 HydrophobicContact CG-CG 4.33Å; W438-K537 HydrophobicContact CH2-CD 3.94Å; W438-K537 HydrophobicContact CZ2-CD 4.17Å; W438-K537 HydrophobicContact CZ3-CB 4.02Å; W438-K537 HydrophobicContact CZ3-CD 3.77Å; W438-K537 HydrophobicContact CZ3-CG 4.15Å; W438-E541 HydrophobicContact CH2-CB 4.21Å; W438-E541 WeakPolarHBondContact CH2-OE2 3.24Å; W438-E541 HydrophobicContact CZ3-CB 4.16Å
439	H	92.1	Very high	96.8	Very high	85 Å²	85	42.4 Å²	42.4	39%	0.394	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-77.1	-17.9	171.1	-61.6	-67.9	0	0	0	113.6	S401 H437 V441	S401-H439 VanDerWaalsContact CB-CE1 3.42Å; S401-H439 WeakPolarHBondContact CB-CE1 3.42Å; S401-H439 PolarHBondContact OG-CE1 2.82Å; S401-H439 PolarHBondContact OG-ND1 3.08Å; H437-H439 PolarHBondContact ND1-N 3.08Å; H437-H439 PolarHBondContact O-N 2.83Å; H439-V441 VanDerWaalsContact C-N 3.29Å
440	N	95	Very high	96.8	Very high	8 Å²	8	46.9 Å²	46.9	4%	0.043	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-93.8	10.4	176.1	-72.4	-13.3	0	0	0	112.1	D435 H437 W438 I472 D473	D435-N440 PolarHBondContact O-ND2 2.77Å; H437-N440 PolarHBondContact CE1-ND2 3.46Å; H437-N440 PolarHBondContact CE1-OD1 3.31Å; H437-N440 VanDerWaalsContact CE1-OD1 3.23Å; H437-N440 PolarHBondContact ND1-N 3.29Å; H437-N440 WeakPolarHBondContact O-CA 3.3Å; H437-N440 WeakPolarHBondContact O-CB 3.36Å; H437-N440 PolarHBondContact O-N 3.05Å; W438-N440 VanDerWaalsContact C-N 3.32Å; N440-I472 HydrophobicContact CB-CG1 4.19Å; N440-I472 WeakPolarHBondContact O-CG1 3.17Å; N440-I472 PolarHBondContact O-N 3.12Å; N440-D473 WeakPolarHBondContact OD1-CB 3.38Å
441	V	98	Very high	96.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	110.4	172.2	-179.7	0	0	0	0	106.9	P399 L400 I418 L436 H439 V469 L534	P399-V441 CarbonylContact C-O 3.53Å; L400-V441 HydrophobicContact CB-CB 3.95Å; L400-V441 HydrophobicContact CB-CG1 4.02Å; L400-V441 WeakPolarHBondContact CB-O 3.43Å; L400-V441 HydrophobicContact CD2-CB 4.2Å; L400-V441 HydrophobicContact CD2-CG1 4.01Å; L400-V441 HydrophobicContact CG-CG1 4.49Å; L400-V441 PolarHBondContact N-O 3.42Å; I418-V441 HydrophobicContact CD1-CG1 3.79Å; I418-V441 HydrophobicContact CD1-CG2 4.07Å; L436-V441 HydrophobicContact CD1-CG2 3.9Å; L436-V441 HydrophobicContact CG-CG2 4.31Å; H439-V441 VanDerWaalsContact C-N 3.29Å; V441-V469 HydrophobicContact CG1-CG1 3.44Å; V441-V469 VanDerWaalsContact CG1-CG1 3.44Å; V441-L534 HydrophobicContact CG2-CD1 4.21Å; V441-L534 HydrophobicContact CG2-CD2 4.02Å
442	L	96.7	Very high	96.8	Very high	23 Å²	23	52.3 Å²	52.3	12%	0.12	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	146.8	175.1	-55.9	-173.6	0	0	0	110.6	A396 E398 P399 V469 T470 I472	A396-L442 HydrophobicContact CB-CB 4.02Å; A396-L442 HydrophobicContact CB-CD1 3.54Å; A396-L442 HydrophobicContact CB-CG 4.38Å; A396-L442 WeakPolarHBondContact O-CB 3.32Å; E398-L442 CarbonylContact O-C 3.51Å; E398-L442 VanDerWaalsContact O-CA 3.28Å; E398-L442 WeakPolarHBondContact O-CA 3.41Å; P399-L442 HydrophobicContact CB-CD2 4.33Å; P399-L442 HydrophobicContact CG-CD2 3.99Å; L442-V469 CarbonylContact O-C 3.44Å; L442-V469 VanDerWaalsContact O-CA 3.31Å; L442-V469 WeakPolarHBondContact O-CA 3.44Å; L442-T470 PolarHBondContact N-O 2.97Å; L442-T470 PolarHBondContact O-N 3.49Å; L442-I472 HydrophobicContact CD1-CD1 3.93Å; L442-I472 HydrophobicContact CD1-CG2 3.79Å; L442-I472 HydrophobicContact CD2-CD1 3.97Å; L442-I472 HydrophobicContact CG-CD1 3.86Å; L442-I472 HydrophobicContact CG-CG1 4.24Å; L442-I472 HydrophobicContact CG-CG2 3.91Å
443	V	97.5	Very high	96.8	Very high	8 Å²	8	52.4 Å²	52.4	5%	0.048	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132.8	178.6	-173.9	0	0	0	0	109.7	G397 E398 L400 V403 I467 V469	G397-V443 WeakPolarHBondContact CA-O 3.3Å; E398-V443 PolarHBondContact N-O 3.22Å; E398-V443 VanDerWaalsContact N-O 3.08Å; E398-V443 PolarHBondContact O-N 3.48Å; L400-V443 HydrophobicContact CB-CG2 4.39Å; L400-V443 HydrophobicContact CD1-CG2 3.79Å; V403-V443 HydrophobicContact CG2-CB 3.65Å; V403-V443 HydrophobicContact CG2-CG1 4.29Å; V403-V443 HydrophobicContact CG2-CG2 3.82Å; V443-I467 HydrophobicContact CG1-CB 3.86Å; V443-I467 HydrophobicContact CG1-CD1 4.1Å; V443-I467 HydrophobicContact CG1-CG2 4.12Å; V443-V469 HydrophobicContact CG2-CG2 4.49Å
444	R	96	Very high	96.8	Very high	64 Å²	64	55.9 Å²	55.9	24%	0.242	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	152.6	172.8	63.4	-177.9	179.8	94.7	-7.5	112.1	I467 Q468	R444-I467 WeakPolarHBondContact O-CA 3.35Å; R444-Q468 HydrophobicContact CG-CB 4.33Å; R444-Q468 PolarHBondContact N-O 3.23Å; R444-Q468 VanDerWaalsContact NH2-OE1 3.1Å; R444-Q468 PolarHBondContact O-N 3.31Å
445	P	96.7	Very high	96.9	Very high	115 Å²	115	56.3 Å²	56.3	75%	0.747	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.7	144.7	168.8	-22.4	33.3	0	0	0	112.1	G466	P445-G466 CarbonylContact C-O 3.53Å; P445-G466 WeakPolarHBondContact CA-O 3.48Å
446	T	97.2	Very high	97	Very high	23 Å²	23	57.3 Å²	57.3	14%	0.141	27%	0.272	C	S	.	.			trans	-138.1	147.4	174	-172.6	0	0	0	0	111.7	Q448 T464 G466 Q468	T446-Q448 PolarHBondContact OG1-N 3.21Å; T446-T464 HydrophobicContact CG2-CG2 3.93Å; T446-G466 PolarHBondContact N-O 3.14Å; T446-Q468 HydrophobicContact CG2-CB 4.01Å
447	R	97	Very high	96.9	Very high	257 Å²	257	59.2 Å²	59.2	97%	0.97	29%	0.291	S	S	*	.	S	Bend	trans	-89.2	-11.6	172.7	-64.4	-177	179.9	172.6	0.8	112.7	S449	R447-S449 PolarHBondContact O-N 3.43Å
448	Q	97.3	Very high	97	Very high	107 Å²	107	61.6 Å²	61.6	50%	0.5	31%	0.306	S	S	.	.			trans	-72.2	124.5	177.1	-67.8	-179.8	-34.3	0	0	108.5	T446 K450 L451 T464	T446-Q448 PolarHBondContact OG1-N 3.21Å; Q448-K450 VanDerWaalsContact C-N 3.35Å; Q448-L451 HydrophobicContact CB-CD2 4.5Å; Q448-T464 WeakPolarHBondContact O-CB 3.48Å; Q448-T464 WeakPolarHBondContact O-CG2 3.44Å; Q448-T464 PolarHBondContact O-OG1 2.99Å
449	S	97.6	Very high	97.1	Very high	90 Å²	90	61.7 Å²	61.7	63%	0.629	31%	0.313	S	S	*	.	S	Bend	trans	-74.3	-27.8	179.1	55.4	0	0	0	0	112.9	R447 F463 T464	R447-S449 PolarHBondContact O-N 3.43Å; S449-F463 WeakPolarHBondContact O-CA 3.43Å; S449-T464 PolarHBondContact O-N 3.06Å; S449-T464 PolarHBondContact O-OG1 2.91Å
450	K	97.9	Very high	97.5	Very high	95 Å²	95	57.8 Å²	57.8	41%	0.413	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	145.6	177.1	-66.8	-172.5	174.4	-165.4	0	111.9	Q448 A461 V462 F463	Q448-K450 VanDerWaalsContact C-N 3.35Å; K450-A461 HydrophobicContact CD-CB 4.23Å; K450-V462 CarbonylContact C-O 3.54Å; K450-V462 WeakPolarHBondContact CA-O 3.36Å; K450-F463 HydrophobicContact CD-CD1 4.34Å; K450-F463 HydrophobicContact CD-CE1 4.22Å; K450-F463 HydrophobicContact CD-CZ 4.45Å; K450-F463 VanDerWaalsContact CE-CE2 3.46Å; K450-F463 HydrophobicContact CG-CD1 3.85Å; K450-F463 HydrophobicContact CG-CE1 4.16Å; K450-F463 HydrophobicContact CG-CG 4.27Å; K450-F463 VanDerWaalsContact NZ-CZ 3.28Å
451	L	98.3	Very high	97.6	Very high	5 Å²	5	58 Å²	58	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	142.6	165.9	-63.9	175.3	0	0	0	109.6	V342 Q417 Q448 Y453 A461 V462 T464 Q468	V342-L451 HydrophobicContact CG2-CD1 4.36Å; V342-L451 HydrophobicContact CG2-CD2 4.08Å; Q417-L451 HydrophobicContact CG-CD1 4.4Å; Q417-L451 VanDerWaalsContact OE1-CD1 3.31Å; Q448-L451 HydrophobicContact CB-CD2 4.5Å; L451-Y453 HydrophobicContact CB-CE2 3.73Å; L451-Y453 WeakPolarHBondContact CB-OH 3.24Å; L451-Y453 WeakPolarHBondContact CD1-OH 3.41Å; L451-Y453 WeakPolarHBondContact O-CE2 3.3Å; L451-A461 CarbonylContact O-C 3.58Å; L451-A461 WeakPolarHBondContact O-CA 3.21Å; L451-V462 PolarHBondContact N-O 3.1Å; L451-V462 PolarHBondContact O-N 3.42Å; L451-T464 HydrophobicContact CD1-CG2 4.11Å; L451-T464 HydrophobicContact CD2-CG2 4.43Å; L451-T464 HydrophobicContact CG-CG2 3.67Å; L451-Q468 HydrophobicContact CD1-CB 4.48Å; L451-Q468 HydrophobicContact CD1-CG 3.97Å
452	R	98	Very high	97.6	Very high	155 Å²	155	58 Å²	58	59%	0.585	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.8	136.3	-177.7	-62.7	-176.7	74.7	166.6	4	111.2	R340 Y460	R340-R452 PolarHBondContact NH1-O 2.82Å; R452-Y460 WeakPolarHBondContact CA-O 3.25Å
453	Y	98.6	Very high	97.7	Very high	5 Å²	5	62.1 Å²	62.1	2%	0.02	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	163.8	-179.6	-54.9	-95.5	0	0	0	110.5	R340 N343 Q417 L420 L451 Y460 V462	R340-Y453 WeakPolarHBondContact O-CA 3.44Å; N343-Y453 WeakPolarHBondContact OD1-CE1 3.45Å; N343-Y453 VanDerWaalsContact OD1-CZ 3.23Å; N343-Y453 PolarHBondContact OD1-OH 2.76Å; Q417-Y453 WeakPolarHBondContact CG-OH 3.21Å; L420-Y453 HydrophobicContact CB-CD1 3.95Å; L420-Y453 HydrophobicContact CB-CD2 4.36Å; L420-Y453 HydrophobicContact CB-CE1 4.39Å; L420-Y453 HydrophobicContact CB-CG 3.95Å; L420-Y453 HydrophobicContact CD1-CD2 4Å; L420-Y453 HydrophobicContact CD1-CE2 4.47Å; L420-Y453 HydrophobicContact CD1-CG 4.32Å; L451-Y453 HydrophobicContact CB-CE2 3.73Å; L451-Y453 WeakPolarHBondContact CB-OH 3.24Å; L451-Y453 WeakPolarHBondContact CD1-OH 3.41Å; L451-Y453 WeakPolarHBondContact O-CE2 3.3Å; Y453-Y460 PolarHBondContact N-O 3.32Å; Y453-Y460 PolarHBondContact O-N 2.85Å; Y453-V462 HydrophobicContact CD2-CG2 4.06Å; Y453-V462 HydrophobicContact CE2-CB 3.91Å; Y453-V462 HydrophobicContact CE2-CG2 3.62Å
454	R	98.4	Very high	97.7	Very high	73 Å²	73	61.9 Å²	61.9	28%	0.275	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	133.7	169.1	-161.3	172.3	28.9	-162.7	-3.9	109	Y336 R337 R338 N339 R340 A424 V458	Y336-R454 PolarHBondContact O-NH2 2.67Å; R337-R454 VanDerWaalsContact C-CZ 3.43Å; R337-R454 WeakPolarHBondContact O-CD 3.44Å; R337-R454 PolarHBondContact O-NE 2.93Å; R337-R454 PolarHBondContact O-NH1 2.87Å; R337-R454 PolarHBondContact O-NH2 2.73Å; R337-R454 VanDerWaalsContact O-NH2 3.13Å; R338-R454 VanDerWaalsContact O-CG 3.31Å; R338-R454 WeakPolarHBondContact O-CG 3.32Å; N339-R454 CarbonylContact C-O 3.58Å; N339-R454 VanDerWaalsContact CA-O 3.24Å; N339-R454 WeakPolarHBondContact CA-O 3.4Å; R340-R454 HydrophobicContact CB-CB 3.87Å; R340-R454 PolarHBondContact N-O 2.79Å; R340-R454 PolarHBondContact O-N 2.81Å; A424-R454 WeakPolarHBondContact CB-O 3.42Å; R454-V458 CarbonylContact C-O 3.37Å; R454-V458 VanDerWaalsContact CA-O 3.23Å; R454-V458 WeakPolarHBondContact CA-O 3.07Å; R454-V458 WeakPolarHBondContact CG-O 3.48Å
455	V	98.3	Very high	97.8	Very high	8 Å²	8	61.9 Å²	61.9	5%	0.048	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	116.5	180	-176.9	0	0	0	0	107.5	L420 A423 A424 G457 V458 Y460 T574 V577	L420-V455 HydrophobicContact CD2-CG2 4.25Å; A423-V455 HydrophobicContact CB-CG1 3.89Å; A423-V455 HydrophobicContact CB-CG2 3.93Å; A424-V455 HydrophobicContact CB-CG2 4.23Å; V455-G457 PolarHBondContact O-N 2.91Å; V455-V458 PolarHBondContact N-O 2.83Å; V455-V458 PolarHBondContact O-N 3.02Å; V455-Y460 HydrophobicContact CB-CE2 4.03Å; V455-Y460 HydrophobicContact CG2-CD2 4.32Å; V455-Y460 HydrophobicContact CG2-CE2 4.14Å; V455-T574 HydrophobicContact CG1-CG2 3.89Å; V455-V577 HydrophobicContact CG1-CG2 4.47Å
456	G	96.6	Very high	97.8	Very high	27 Å²	27	58 Å²	58	28%	0.278	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	13.7	-179.3	0	0	0	0	0	115.3	R338 N339 S427	R338-G456 PolarHBondContact NE-O 3.41Å; R338-G456 PolarHBondContact NH2-O 2.89Å; R338-G456 PolarHBondContact O-N 3.23Å; N339-G456 PolarHBondContact OD1-N 2.9Å; S427-G456 PolarHBondContact OG-N 3.14Å
457	G	96.7	Very high	97.9	Very high	39 Å²	39	57.5 Å²	57.5	40%	0.402	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	-15.2	-172.8	0	0	0	0	0	114.7	R338 V455	R338-G457 PolarHBondContact O-N 3.38Å; V455-G457 PolarHBondContact O-N 2.91Å
458	V	97.7	Very high	97.9	Very high	67 Å²	67	45.9 Å²	45.9	41%	0.406	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	133.1	175.9	-177.2	0	0	0	0	109.4	R454 V455 Y460 R587	R454-V458 CarbonylContact C-O 3.37Å; R454-V458 VanDerWaalsContact CA-O 3.23Å; R454-V458 WeakPolarHBondContact CA-O 3.07Å; R454-V458 WeakPolarHBondContact CG-O 3.48Å; V455-V458 PolarHBondContact N-O 2.83Å; V455-V458 PolarHBondContact O-N 3.02Å; V458-Y460 HydrophobicContact CB-CE2 3.84Å; V458-Y460 HydrophobicContact CG1-CD2 4.31Å; V458-Y460 HydrophobicContact CG1-CE2 3.61Å; V458-Y460 WeakPolarHBondContact O-CD2 3.38Å; V458-R587 HydrophobicContact CG1-CG 4.25Å
459	S	98.2	Very high	98	Very high	41 Å²	41	40.8 Å²	40.8	29%	0.287	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	140.4	-177.4	-64.5	0	0	0	0	111.6	I588	S459-I588 PolarHBondContact O-N 3.18Å
460	Y	98.6	Very high	98	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.016	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	156.5	176.2	-58.6	-105	0	0	0	110.6	L420 R452 Y453 V455 V458 V577 C586 R587	L420-Y460 HydrophobicContact CD1-CD1 4.49Å; L420-Y460 HydrophobicContact CD1-CG 4.4Å; L420-Y460 HydrophobicContact CD2-CD1 3.66Å; L420-Y460 HydrophobicContact CD2-CD2 3.83Å; L420-Y460 HydrophobicContact CD2-CE1 4Å; L420-Y460 HydrophobicContact CD2-CE2 4.19Å; L420-Y460 HydrophobicContact CD2-CG 3.55Å; R452-Y460 WeakPolarHBondContact CA-O 3.25Å; Y453-Y460 PolarHBondContact N-O 3.32Å; Y453-Y460 PolarHBondContact O-N 2.85Å; V455-Y460 HydrophobicContact CB-CE2 4.03Å; V455-Y460 HydrophobicContact CG2-CD2 4.32Å; V455-Y460 HydrophobicContact CG2-CE2 4.14Å; V458-Y460 HydrophobicContact CB-CE2 3.84Å; V458-Y460 HydrophobicContact CG1-CD2 4.31Å; V458-Y460 HydrophobicContact CG1-CE2 3.61Å; V458-Y460 WeakPolarHBondContact O-CD2 3.38Å; Y460-V577 PolarHBondContact OH-O 2.94Å; Y460-C586 CarbonylContact C-O 3.54Å; Y460-C586 WeakPolarHBondContact CA-O 3.25Å; Y460-C586 WeakPolarHBondContact CB-O 3.48Å; Y460-C586 HydrophobicContact CD1-CB 4.09Å; Y460-R587 HydrophobicContact CD1-CB 4.26Å; Y460-R587 HydrophobicContact CE1-CB 4.28Å; Y460-R587 HydrophobicContact CE1-CG 4.43Å
461	A	98.5	Very high	98	Very high	12 Å²	12	32.4 Å²	32.4	10%	0.099	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	131.3	166.9	0	0	0	0	0	111.5	K450 L451 C586 I588	K450-A461 HydrophobicContact CD-CB 4.23Å; L451-A461 CarbonylContact O-C 3.58Å; L451-A461 WeakPolarHBondContact O-CA 3.21Å; A461-C586 PolarHBondContact N-O 3.18Å; A461-C586 WeakPolarHBondContact O-CA 3.28Å; A461-I588 HydrophobicContact CB-CD1 3.72Å; A461-I588 HydrophobicContact CB-CG1 4.06Å
462	V	98.5	Very high	97.8	Very high	1 Å²	1	34 Å²	34	1%	0.006	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	135	177.6	174.5	0	0	0	0	108.9	E416 Q417 L420 K450 L451 Y453	E416-V462 HydrophobicContact CB-CB 4.46Å; E416-V462 HydrophobicContact CB-CG1 3.77Å; E416-V462 HydrophobicContact CB-CG2 3.82Å; E416-V462 WeakPolarHBondContact OE2-CG1 3.44Å; Q417-V462 HydrophobicContact CG-CB 4.41Å; Q417-V462 HydrophobicContact CG-CG1 3.83Å; L420-V462 HydrophobicContact CD1-CG2 3.39Å; K450-V462 CarbonylContact C-O 3.54Å; K450-V462 WeakPolarHBondContact CA-O 3.36Å; L451-V462 PolarHBondContact N-O 3.1Å; L451-V462 PolarHBondContact O-N 3.42Å; Y453-V462 HydrophobicContact CD2-CG2 4.06Å; Y453-V462 HydrophobicContact CE2-CB 3.91Å; Y453-V462 HydrophobicContact CE2-CG2 3.62Å
463	F	98	Very high	97.5	Very high	109 Å²	109	28.6 Å²	28.6	48%	0.478	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	127.4	167.4	-75.4	-85.9	0	0	0	109.1	S413 S449 K450 E465	S413-F463 WeakPolarHBondContact CB-O 3.48Å; S413-F463 PolarHBondContact OG-O 2.93Å; S413-F463 VanDerWaalsContact OG-O 3.08Å; S449-F463 WeakPolarHBondContact O-CA 3.43Å; K450-F463 HydrophobicContact CD-CD1 4.34Å; K450-F463 HydrophobicContact CD-CE1 4.22Å; K450-F463 HydrophobicContact CD-CZ 4.45Å; K450-F463 VanDerWaalsContact CE-CE2 3.46Å; K450-F463 HydrophobicContact CG-CD1 3.85Å; K450-F463 HydrophobicContact CG-CE1 4.16Å; K450-F463 HydrophobicContact CG-CG 4.27Å; K450-F463 VanDerWaalsContact NZ-CZ 3.28Å; F463-E465 VanDerWaalsContact C-N 3.28Å; F463-E465 PolarHBondContact O-N 3.28Å
464	T	98.2	Very high	97.1	Very high	3 Å²	3	28.9 Å²	28.9	2%	0.018	17%	0.172	C	C	.	.			trans	-73.3	-23	-173.1	57	0	0	0	0	113.2	S413 T446 Q448 S449 L451 G466 I467	S413-T464 PolarHBondContact OG-O 2.93Å; T446-T464 HydrophobicContact CG2-CG2 3.93Å; Q448-T464 WeakPolarHBondContact O-CB 3.48Å; Q448-T464 WeakPolarHBondContact O-CG2 3.44Å; Q448-T464 PolarHBondContact O-OG1 2.99Å; S449-T464 PolarHBondContact O-N 3.06Å; S449-T464 PolarHBondContact O-OG1 2.91Å; L451-T464 HydrophobicContact CD1-CG2 4.11Å; L451-T464 HydrophobicContact CD2-CG2 4.43Å; L451-T464 HydrophobicContact CG-CG2 3.67Å; T464-G466 PolarHBondContact O-N 2.78Å; T464-G466 VanDerWaalsContact O-N 3.14Å; T464-G466 PolarHBondContact OG1-N 3.36Å; T464-I467 VanDerWaalsContact CB-O 3.29Å; T464-I467 WeakPolarHBondContact CB-O 3.36Å; T464-I467 WeakPolarHBondContact O-CG1 3.17Å; T464-I467 PolarHBondContact O-N 3.16Å; T464-I467 VanDerWaalsContact O-O 3.1Å
465	E	97.1	Very high	96.5	Very high	63 Å²	63	26.4 Å²	26.4	29%	0.294	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	28.3	-166.3	-59.1	-63.9	132.8	0	0	112.3	R409 E410 F463 I467	R409-E465 HydrophobicContact CB-CG 3.75Å; R409-E465 IonicContact CZ-OE2 3.53Å; R409-E465 IonicContact NE-OE1 2.65Å; R409-E465 IonicContact NE-OE2 3.71Å; R409-E465 PolarHBondContact NE-OE2 3.35Å; R409-E465 IonicContact NH2-OE2 3.25Å; E410-E465 HydrophobicContact CB-CB 4.43Å; E410-E465 HydrophobicContact CG-CB 3.75Å; F463-E465 VanDerWaalsContact C-N 3.28Å; F463-E465 PolarHBondContact O-N 3.28Å; E465-I467 VanDerWaalsContact C-N 3.34Å
466	G	97.4	Very high	96.2	Very high	33 Å²	33	26 Å²	26	34%	0.34	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	3.3	-178.9	0	0	0	0	0	115	P445 T446 T464	P445-G466 CarbonylContact C-O 3.53Å; P445-G466 WeakPolarHBondContact CA-O 3.48Å; T446-G466 PolarHBondContact N-O 3.14Å; T464-G466 PolarHBondContact O-N 2.78Å; T464-G466 VanDerWaalsContact O-N 3.14Å; T464-G466 PolarHBondContact OG1-N 3.36Å
467	I	97.9	Very high	96.1	Very high	14 Å²	14	24.9 Å²	24.9	7%	0.072	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	147.1	178.6	61.3	164	0	0	0	113.2	F405 E410 V414 Q417 V443 R444 T464 E465	F405-I467 HydrophobicContact CE1-CD1 4.08Å; E410-I467 HydrophobicContact CB-CD1 3.78Å; E410-I467 HydrophobicContact CB-CG1 4.4Å; E410-I467 HydrophobicContact CG-CD1 4.18Å; E410-I467 HydrophobicContact CG-CG1 4.31Å; V414-I467 HydrophobicContact CG2-CD1 3.68Å; Q417-I467 PolarHBondContact NE2-O 3.36Å; Q417-I467 VanDerWaalsContact NE2-O 3.08Å; V443-I467 HydrophobicContact CG1-CB 3.86Å; V443-I467 HydrophobicContact CG1-CD1 4.1Å; V443-I467 HydrophobicContact CG1-CG2 4.12Å; R444-I467 WeakPolarHBondContact O-CA 3.35Å; T464-I467 VanDerWaalsContact CB-O 3.29Å; T464-I467 WeakPolarHBondContact CB-O 3.36Å; T464-I467 WeakPolarHBondContact O-CG1 3.17Å; T464-I467 PolarHBondContact O-N 3.16Å; T464-I467 VanDerWaalsContact O-O 3.1Å; E465-I467 VanDerWaalsContact C-N 3.34Å
468	Q	98.3	Very high	96.1	Very high	13 Å²	13	23.1 Å²	23.1	6%	0.061	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	128.7	171.6	178	170.8	-4	0	0	109.6	R444 T446 L451	R444-Q468 HydrophobicContact CG-CB 4.33Å; R444-Q468 PolarHBondContact N-O 3.23Å; R444-Q468 VanDerWaalsContact NH2-OE1 3.1Å; R444-Q468 PolarHBondContact O-N 3.31Å; T446-Q468 HydrophobicContact CG2-CB 4.01Å; L451-Q468 HydrophobicContact CD1-CB 4.48Å; L451-Q468 HydrophobicContact CD1-CG 3.97Å
469	V	98.6	Very high	96.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	147.7	175.9	178.6	0	0	0	0	110.8	N343 V414 Q417 I418 V441 L442 V443	N343-V469 WeakPolarHBondContact CB-O 3.33Å; N343-V469 PolarHBondContact ND2-O 2.96Å; V414-V469 HydrophobicContact CB-CG2 4.19Å; V414-V469 HydrophobicContact CG1-CG2 4.19Å; V414-V469 HydrophobicContact CG2-CG2 3.84Å; Q417-V469 HydrophobicContact CB-CB 4.22Å; Q417-V469 HydrophobicContact CB-CG2 4.29Å; I418-V469 HydrophobicContact CD1-CG1 4.1Å; I418-V469 HydrophobicContact CG1-CG1 3.74Å; V441-V469 HydrophobicContact CG1-CG1 3.44Å; V441-V469 VanDerWaalsContact CG1-CG1 3.44Å; L442-V469 CarbonylContact O-C 3.44Å; L442-V469 VanDerWaalsContact O-CA 3.31Å; L442-V469 WeakPolarHBondContact O-CA 3.44Å; V443-V469 HydrophobicContact CG2-CG2 4.49Å
470	T	98.6	Very high	95.9	Very high	8 Å²	8	18.4 Å²	18.4	5%	0.049	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	124.4	169.4	-50.6	0	0	0	0	110.2	N343 A345 A396 L442 I472	N343-T470 CarbonylContact O-C 3.55Å; N343-T470 WeakPolarHBondContact O-CA 3.21Å; A345-T470 HydrophobicContact CB-CG2 4.34Å; A396-T470 HydrophobicContact CB-CG2 3.75Å; L442-T470 PolarHBondContact N-O 2.97Å; L442-T470 PolarHBondContact O-N 3.49Å; T470-I472 HydrophobicContact CG2-CG2 4.14Å
471	I	98.6	Very high	95.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	130.4	173.1	-58.7	172.3	0	0	0	108.5	N343 F344 A345 I418 L422 H433 L436 F474	N343-I471 PolarHBondContact O-N 2.99Å; F344-I471 HydrophobicContact CD1-CB 4Å; F344-I471 HydrophobicContact CD1-CD1 4.49Å; F344-I471 HydrophobicContact CD1-CG2 4.2Å; F344-I471 HydrophobicContact CE1-CB 4.2Å; F344-I471 HydrophobicContact CE1-CD1 3.99Å; F344-I471 HydrophobicContact CE1-CG2 4.16Å; F344-I471 HydrophobicContact CZ-CD1 4.28Å; A345-I471 PolarHBondContact N-O 2.74Å; I418-I471 HydrophobicContact CG2-CD1 4.25Å; L422-I471 HydrophobicContact CD2-CD1 4.21Å; L422-I471 HydrophobicContact CG-CD1 4.39Å; H433-I471 WeakPolarHBondContact CD2-CG2 3.42Å; H433-I471 VanDerWaalsContact NE2-CG2 3.32Å; H433-I471 WeakPolarHBondContact NE2-CG2 3.45Å; L436-I471 HydrophobicContact CD1-CB 4.44Å; L436-I471 HydrophobicContact CD1-CG1 4.32Å; L436-I471 HydrophobicContact CD1-CG2 3.51Å; I471-F474 HydrophobicContact CG2-CE1 4.1Å
472	I	94.1	Very high	95.1	Very high	40 Å²	40	20.7 Å²	20.7	21%	0.205	11%	0.11	C	C	.	.			trans	-133	175.4	-176.1	70.3	160.2	0	0	0	111.7	A345 H433 N440 L442 T470	A345-I472 HydrophobicContact CB-CG2 4.12Å; H433-I472 PolarHBondContact CE1-O 2.97Å; H433-I472 VanDerWaalsContact CE1-O 3.3Å; H433-I472 PolarHBondContact NE2-O 3.35Å; N440-I472 HydrophobicContact CB-CG1 4.19Å; N440-I472 WeakPolarHBondContact O-CG1 3.17Å; N440-I472 PolarHBondContact O-N 3.12Å; L442-I472 HydrophobicContact CD1-CD1 3.93Å; L442-I472 HydrophobicContact CD1-CG2 3.79Å; L442-I472 HydrophobicContact CD2-CD1 3.97Å; L442-I472 HydrophobicContact CG-CD1 3.86Å; L442-I472 HydrophobicContact CG-CG1 4.24Å; L442-I472 HydrophobicContact CG-CG2 3.91Å; T470-I472 HydrophobicContact CG2-CG2 4.14Å
473	D	89.7	Confident	94.6	Very high	40 Å²	40	20.6 Å²	20.6	21%	0.214	11%	0.109	C	C	.	.			trans	57.5	79.9	175	-157	-21.1	0	0	0	113.8	K210 H433 N440 T475	K210-D473 VanDerWaalsContact CE-OD2 3.28Å; K210-D473 WeakPolarHBondContact CE-OD2 3.29Å; K210-D473 IonicContact NZ-OD2 2.69Å; K210-D473 PolarHBondContact NZ-OD2 3.45Å; H433-D473 PolarHBondContact CE1-O 3.11Å; N440-D473 WeakPolarHBondContact OD1-CB 3.38Å; D473-T475 PolarHBondContact O-N 2.95Å; D473-T475 VanDerWaalsContact OD1-CB 3.24Å; D473-T475 WeakPolarHBondContact OD1-CB 3.14Å; D473-T475 PolarHBondContact OD1-N 3.48Å; D473-T475 PolarHBondContact OD1-OG1 3.21Å
474	F	91.8	Very high	94.2	Very high	12 Å²	12	15.5 Å²	15.5	5%	0.053	9%	0.087	C	C	.	.			trans	-85.6	15.2	-178.7	-46.8	-52.9	0	0	0	113	R215 V325 L329 F344 A345 F431 H433 I471 V476 S477	R215-F474 PolarHBondContact NH2-O 3.14Å; V325-F474 HydrophobicContact CG1-CB 3.61Å; V325-F474 HydrophobicContact CG1-CD2 4.12Å; V325-F474 HydrophobicContact CG1-CG 4.01Å; L329-F474 HydrophobicContact CB-CE2 4.49Å; L329-F474 HydrophobicContact CD1-CB 4.47Å; L329-F474 HydrophobicContact CD1-CD1 3.55Å; L329-F474 HydrophobicContact CD1-CD2 3.65Å; L329-F474 HydrophobicContact CD1-CE1 3.55Å; L329-F474 HydrophobicContact CD1-CE2 3.65Å; L329-F474 HydrophobicContact CD1-CG 3.6Å; L329-F474 HydrophobicContact CD1-CZ 3.6Å; F344-F474 HydrophobicContact CB-CZ 4.35Å; F344-F474 AromaticContact CD1-CE1 3.87Å; F344-F474 HydrophobicContact CD1-CE1 3.87Å; F344-F474 AromaticContact CD1-CZ 3.99Å; F344-F474 HydrophobicContact CD1-CZ 3.99Å; F344-F474 HydrophobicContact CE1-CE1 4.49Å; A345-F474 HydrophobicContact CB-CE2 4.39Å; A345-F474 HydrophobicContact CB-CZ 4.31Å; F431-F474 HydrophobicContact CZ-CD1 4.32Å; H433-F474 AromaticContact NE2-CD1 3.71Å; H433-F474 AromaticContact NE2-CE1 3.96Å; I471-F474 HydrophobicContact CG2-CE1 4.1Å; F474-V476 VanDerWaalsContact C-N 3.26Å; F474-V476 PolarHBondContact O-N 2.97Å; F474-V476 VanDerWaalsContact O-N 3.11Å; F474-S477 VanDerWaalsContact CA-OG 3.28Å; F474-S477 WeakPolarHBondContact CA-OG 3.48Å; F474-S477 VanDerWaalsContact O-CB 3.31Å; F474-S477 WeakPolarHBondContact O-CB 3.28Å; F474-S477 PolarHBondContact O-N 3.12Å; F474-S477 PolarHBondContact O-OG 2.64Å
475	T	85.6	Confident	94	Very high	20 Å²	20	15.4 Å²	15.4	12%	0.123	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.9	-48.1	-167.7	-65.6	0	0	0	0	112.4	K210 R215 D473 V488	K210-T475 HydrophobicContact CG-CG2 3.93Å; R215-T475 VanDerWaalsContact CZ-O 3.22Å; R215-T475 PolarHBondContact NE-O 3.29Å; R215-T475 PolarHBondContact NH2-O 3.39Å; D473-T475 PolarHBondContact O-N 2.95Å; D473-T475 VanDerWaalsContact OD1-CB 3.24Å; D473-T475 WeakPolarHBondContact OD1-CB 3.14Å; D473-T475 PolarHBondContact OD1-N 3.48Å; D473-T475 PolarHBondContact OD1-OG1 3.21Å; T475-V488 WeakPolarHBondContact O-CG2 3.45Å
476	V	91.4	Very high	93.8	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.006	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	13.2	-178.3	-62.1	0	0	0	0	114.4	L209 L212 R434 D435 F474 V488 M490	L209-V476 HydrophobicContact CB-CG1 4.15Å; L209-V476 HydrophobicContact CD2-CG1 3.9Å; L212-V476 HydrophobicContact CD1-CG1 4.25Å; R434-V476 HydrophobicContact CB-CG2 4.09Å; R434-V476 WeakPolarHBondContact CB-O 3.34Å; R434-V476 WeakPolarHBondContact CD-O 3.39Å; D435-V476 HydrophobicContact CB-CG2 3.48Å; D435-V476 VanDerWaalsContact CB-CG2 3.48Å; F474-V476 VanDerWaalsContact C-N 3.26Å; F474-V476 PolarHBondContact O-N 2.97Å; F474-V476 VanDerWaalsContact O-N 3.11Å; V476-V488 HydrophobicContact CB-CB 4.36Å; V476-V488 HydrophobicContact CB-CG2 4.42Å; V476-V488 HydrophobicContact CG1-CB 4.32Å; V476-V488 HydrophobicContact CG1-CG1 4.31Å; V476-V488 HydrophobicContact CG1-CG2 4.3Å; V476-M490 HydrophobicContact CB-CE 4.47Å; V476-M490 HydrophobicContact CB-SD 4.32Å; V476-M490 HydrophobicContact CG1-SD 4.17Å
477	S	95.1	Very high	93.7	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.021	6%	0.058	C	C	.	.			trans	-66.1	158.5	-179.9	-58.7	0	0	0	0	112.8	E432 H433 F474	E432-S477 CarbonylContact O-C 3.55Å; E432-S477 VanDerWaalsContact O-CA 3.23Å; E432-S477 WeakPolarHBondContact O-CA 3.27Å; E432-S477 VanDerWaalsContact O-CB 3.25Å; E432-S477 WeakPolarHBondContact O-CB 3.35Å; H433-S477 VanDerWaalsContact O-CA 3.31Å; H433-S477 WeakPolarHBondContact O-CA 3.38Å; H433-S477 PolarHBondContact O-OG 3.44Å; F474-S477 VanDerWaalsContact CA-OG 3.28Å; F474-S477 WeakPolarHBondContact CA-OG 3.48Å; F474-S477 VanDerWaalsContact O-CB 3.31Å; F474-S477 WeakPolarHBondContact O-CB 3.28Å; F474-S477 PolarHBondContact O-N 3.12Å; F474-S477 PolarHBondContact O-OG 2.64Å
478	R	96.5	Very high	93.3	Very high	1 Å²	1	10.6 Å²	10.6	0%	0.004	6%	0.055	C	C	.	.	B	Isolated β-bridge	trans	-121.6	138.4	172.3	178.5	-91.4	-175.8	-140	-1.4	110.3	Q430 F431 E432 V486 R520	Q430-R478 PolarHBondContact O-NH1 3.28Å; F431-R478 CarbonylContact C-O 3.48Å; F431-R478 VanDerWaalsContact CA-O 3.3Å; F431-R478 WeakPolarHBondContact CA-O 3.43Å; E432-R478 HydrophobicContact CB-CB 4.34Å; E432-R478 PolarHBondContact N-O 3.23Å; E432-R478 PolarHBondContact O-N 3.24Å; R478-V486 CarbonylContact C-O 3.6Å; R478-V486 VanDerWaalsContact CA-O 3.23Å; R478-V486 WeakPolarHBondContact CA-O 3.28Å; R478-R520 PolarHBondContact NE-O 2.88Å
479	L	96.9	Very high	92.9	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	163.5	168.7	62.2	80.6	0	0	0	111.8	F324 V325 L329 L429 F431 H481 I485 V486	F324-L479 HydrophobicContact CD1-CD1 4.48Å; F324-L479 HydrophobicContact CE1-CD1 4Å; V325-L479 HydrophobicContact CB-CD2 4.18Å; V325-L479 HydrophobicContact CG1-CD2 3.85Å; V325-L479 HydrophobicContact CG2-CD2 3.89Å; V325-L479 HydrophobicContact CG2-CG 4.18Å; L329-L479 HydrophobicContact CG-CD2 4.5Å; L429-L479 HydrophobicContact CB-CB 4.3Å; L429-L479 CarbonylContact O-C 3.47Å; L429-L479 WeakPolarHBondContact O-CA 3.39Å; L429-L479 WeakPolarHBondContact O-CB 3.4Å; F431-L479 HydrophobicContact CD2-CB 4.19Å; F431-L479 HydrophobicContact CD2-CD2 4.29Å; L479-H481 HydrophobicContact CD1-CB 4.42Å; L479-I485 CarbonylContact O-C 3.56Å; L479-I485 WeakPolarHBondContact O-CA 3.44Å; L479-V486 HydrophobicContact CD1-CB 4.43Å; L479-V486 HydrophobicContact CD1-CG2 4.43Å; L479-V486 PolarHBondContact N-O 3.29Å; L479-V486 PolarHBondContact O-N 3.12Å
480	C	95.6	Very high	92.5	Very high	9 Å²	9	10.7 Å²	10.7	6%	0.061	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	127.1	170.4	-178.1	0	0	0	0	109.2	L429 Q430 N484 I485	L429-C480 CarbonylContact C-O 3.59Å; L429-C480 VanDerWaalsContact CA-O 3.31Å; L429-C480 WeakPolarHBondContact CA-O 3.23Å; L429-C480 PolarHBondContact O-N 3.31Å; L429-C480 VanDerWaalsContact O-O 3.1Å; Q430-C480 HydrophobicContact CB-CB 4.29Å; C480-N484 CarbonylContact C-O 3.59Å; C480-N484 VanDerWaalsContact CA-O 3.29Å; C480-N484 WeakPolarHBondContact CA-O 3.28Å; C480-I485 HydrophobicContact CB-CG1 4.32Å
481	H	91.9	Very high	92.1	Very high	13 Å²	13	12.3 Å²	12.3	6%	0.06	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	115.9	173.4	-177	75.3	0	0	0	110.1	F324 K328 Y336 L429 L479 G483 N484	F324-H481 HydrophobicContact CE1-CB 4.26Å; F324-H481 HydrophobicContact CZ-CB 4.07Å; K328-H481 WeakPolarHBondContact CE-CD2 3.31Å; K328-H481 PolarHBondContact NZ-CD2 2.93Å; K328-H481 PolarHBondContact NZ-NE2 3.16Å; Y336-H481 PolarHBondContact OH-CE1 2.67Å; Y336-H481 VanDerWaalsContact OH-CE1 3.23Å; Y336-H481 PolarHBondContact OH-ND1 3.26Å; L429-H481 HydrophobicContact CD2-CB 3.9Å; L429-H481 WeakPolarHBondContact CD2-ND1 3.43Å; L479-H481 HydrophobicContact CD1-CB 4.42Å; H481-G483 VanDerWaalsContact C-N 3.27Å; H481-G483 PolarHBondContact O-N 2.91Å; H481-N484 PolarHBondContact N-O 3.4Å; H481-N484 VanDerWaalsContact O-CB 3.31Å; H481-N484 WeakPolarHBondContact O-CB 3.31Å; H481-N484 PolarHBondContact O-N 3.09Å; H481-N484 PolarHBondContact O-ND2 3.33Å
482	E	88.2	Confident	91.5	Very high	51 Å²	51	17.8 Å²	17.8	24%	0.238	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.5	47.3	176.9	-59.6	-177.6	157.3	0	0	111.6	F219 L224 F228 L240 Q243 N484	F219-E482 WeakPolarHBondContact CE2-O 3.39Å; L224-E482 VanDerWaalsContact CD1-O 3.28Å; L224-E482 WeakPolarHBondContact CD1-O 3.17Å; F228-E482 HydrophobicContact CE2-CB 4.29Å; F228-E482 HydrophobicContact CE2-CG 4.35Å; F228-E482 HydrophobicContact CZ-CB 4.36Å; F228-E482 HydrophobicContact CZ-CG 3.98Å; L240-E482 HydrophobicContact CD2-CB 3.91Å; Q243-E482 PolarHBondContact NE2-OE2 2.83Å; E482-N484 PolarHBondContact O-N 2.91Å; E482-N484 PolarHBondContact O-ND2 2.89Å
483	G	86.4	Confident	91.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	-13.1	-176.7	0	0	0	0	0	115.3	D220 H481 I485	D220-G483 PolarHBondContact N-O 3Å; H481-G483 VanDerWaalsContact C-N 3.27Å; H481-G483 PolarHBondContact O-N 2.91Å; G483-I485 PolarHBondContact O-N 3.43Å
484	N	90	Very high	91	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	109.2	175.8	-61.4	-84.3	0	0	0	110.6	M217 E218 F219 F324 C480 H481 E482	M217-N484 HydrophobicContact CE-CB 3.6Å; E218-N484 CarbonylContact O-C 3.52Å; E218-N484 WeakPolarHBondContact O-CA 3.35Å; F219-N484 WeakPolarHBondContact CD2-OD1 3.34Å; F324-N484 HydrophobicContact CZ-CB 4.26Å; C480-N484 CarbonylContact C-O 3.59Å; C480-N484 VanDerWaalsContact CA-O 3.29Å; C480-N484 WeakPolarHBondContact CA-O 3.28Å; H481-N484 PolarHBondContact N-O 3.4Å; H481-N484 VanDerWaalsContact O-CB 3.31Å; H481-N484 WeakPolarHBondContact O-CB 3.31Å; H481-N484 PolarHBondContact O-N 3.09Å; H481-N484 PolarHBondContact O-ND2 3.33Å; E482-N484 PolarHBondContact O-N 2.91Å; E482-N484 PolarHBondContact O-ND2 2.89Å
485	I	93.8	Very high	90.6	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	119.1	176.5	-51.3	176.1	0	0	0	108.6	M217 E218 D220 E223 L479 C480 G483 Y487	M217-I485 CarbonylContact C-O 3.58Å; M217-I485 VanDerWaalsContact CA-O 3.3Å; M217-I485 WeakPolarHBondContact CA-O 3.37Å; E218-I485 PolarHBondContact N-O 2.87Å; E218-I485 PolarHBondContact O-N 2.88Å; D220-I485 HydrophobicContact CB-CD1 3.76Å; D220-I485 HydrophobicContact CB-CG1 4.31Å; E223-I485 HydrophobicContact CG-CD1 4.09Å; L479-I485 CarbonylContact O-C 3.56Å; L479-I485 WeakPolarHBondContact O-CA 3.44Å; C480-I485 HydrophobicContact CB-CG1 4.32Å; G483-I485 PolarHBondContact O-N 3.43Å; I485-Y487 HydrophobicContact CG2-CD1 4.21Å
486	V	94	Very high	90.6	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	129.7	171.8	-176.8	0	0	0	0	108.5	R216 M217 P321 F324 V325 R478 L479	R216-V486 WeakPolarHBondContact O-CA 3.04Å; M217-V486 HydrophobicContact CB-CG2 4.1Å; M217-V486 HydrophobicContact CE-CG2 4.07Å; M217-V486 HydrophobicContact CG-CG2 3.68Å; M217-V486 HydrophobicContact SD-CG2 3.69Å; P321-V486 HydrophobicContact CB-CG1 3.86Å; F324-V486 HydrophobicContact CD1-CG2 3.75Å; F324-V486 HydrophobicContact CE1-CG2 3.98Å; V325-V486 HydrophobicContact CG2-CB 4.06Å; V325-V486 HydrophobicContact CG2-CG1 3.68Å; V325-V486 HydrophobicContact CG2-CG2 4.44Å; R478-V486 CarbonylContact C-O 3.6Å; R478-V486 VanDerWaalsContact CA-O 3.23Å; R478-V486 WeakPolarHBondContact CA-O 3.28Å; L479-V486 HydrophobicContact CD1-CB 4.43Å; L479-V486 HydrophobicContact CD1-CG2 4.43Å; L479-V486 PolarHBondContact N-O 3.29Å; L479-V486 PolarHBondContact O-N 3.12Å
487	Y	94.2	Very high	90.5	Very high	7 Å²	7	18.7 Å²	18.7	3%	0.027	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	163.6	176.2	74.7	-74.9	0	0	0	111.9	R215 R216 E218 I485 D489 W519 R520	R215-Y487 CarbonylContact C-O 3.49Å; R215-Y487 WeakPolarHBondContact CA-O 3.23Å; R216-Y487 HydrophobicContact CB-CD1 4.17Å; R216-Y487 HydrophobicContact CB-CE1 3.75Å; R216-Y487 PolarHBondContact N-O 3.3Å; R216-Y487 PolarHBondContact NH1-OH 3.05Å; R216-Y487 PolarHBondContact O-N 3.49Å; E218-Y487 PolarHBondContact OE1-OH 2.87Å; I485-Y487 HydrophobicContact CG2-CD1 4.21Å; Y487-D489 HydrophobicContact CE2-CB 3.88Å; Y487-W519 HydrophobicContact CD2-CB 4Å; Y487-W519 WeakPolarHBondContact CD2-O 3.44Å; Y487-W519 HydrophobicContact CE2-CB 4.27Å; Y487-R520 HydrophobicContact CD1-CG 4.39Å; Y487-R520 HydrophobicContact CD2-CB 4.39Å; Y487-R520 HydrophobicContact CE1-CB 4.06Å; Y487-R520 HydrophobicContact CE1-CG 3.86Å; Y487-R520 HydrophobicContact CE2-CB 3.86Å
488	V	90.6	Very high	90.2	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.012	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.1	166.8	177.8	0	0	0	0	109.6	L212 R215 T475 V476 M490 W519	L212-V488 HydrophobicContact CB-CG1 3.95Å; L212-V488 HydrophobicContact CD1-CG1 3.7Å; L212-V488 HydrophobicContact CG-CG1 4.47Å; R215-V488 HydrophobicContact CB-CG2 4.32Å; R215-V488 HydrophobicContact CG-CG2 3.28Å; T475-V488 WeakPolarHBondContact O-CG2 3.45Å; V476-V488 HydrophobicContact CB-CB 4.36Å; V476-V488 HydrophobicContact CB-CG2 4.42Å; V476-V488 HydrophobicContact CG1-CB 4.32Å; V476-V488 HydrophobicContact CG1-CG1 4.31Å; V476-V488 HydrophobicContact CG1-CG2 4.3Å; V488-M490 HydrophobicContact CG1-CG 3.89Å; V488-M490 PolarHBondContact O-N 3.32Å; V488-W519 WeakPolarHBondContact O-CB 3.5Å
489	D	90	Very high	89.7	Confident	15 Å²	15	25.7 Å²	25.7	8%	0.08	13%	0.134	C	C	.	.			trans	-85.6	105.1	171.9	-169.5	-6.1	0	0	0	110.3	R214 R216 Y487 S491	R214-D489 WeakPolarHBondContact CD-O 3.47Å; R214-D489 PolarHBondContact O-N 3.23Å; R216-D489 IonicContact CZ-OD2 3.44Å; R216-D489 IonicContact NH1-OD2 3.43Å; R216-D489 PolarHBondContact NH1-OD2 2.84Å; R216-D489 IonicContact NH2-OD2 3.53Å; R216-D489 PolarHBondContact NH2-OD2 2.91Å; Y487-D489 HydrophobicContact CE2-CB 3.88Å; D489-S491 WeakPolarHBondContact OD1-CB 3.18Å; D489-S491 PolarHBondContact OD1-N 3.47Å; D489-S491 PolarHBondContact OD1-OG 2.89Å; D489-S491 PolarHBondContact OD2-OG 3.37Å
490	M	90.5	Very high	89.3	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.17	C	C	.	.			trans	-95.9	8.3	179	-51.2	-167.7	-90.6	0	0	112.8	L209 L212 V476 V488 E492 S493 I496 F497 W519	L209-M490 HydrophobicContact CD2-SD 3.89Å; L212-M490 HydrophobicContact CD1-CG 3.75Å; L212-M490 HydrophobicContact CD1-SD 3.99Å; V476-M490 HydrophobicContact CB-CE 4.47Å; V476-M490 HydrophobicContact CB-SD 4.32Å; V476-M490 HydrophobicContact CG1-SD 4.17Å; V488-M490 HydrophobicContact CG1-CG 3.89Å; V488-M490 PolarHBondContact O-N 3.32Å; M490-E492 PolarHBondContact O-N 2.92Å; M490-S493 PolarHBondContact O-N 2.93Å; M490-I496 HydrophobicContact CB-CD1 4.35Å; M490-I496 HydrophobicContact SD-CD1 4.33Å; M490-F497 HydrophobicContact CB-CZ 4.12Å; M490-W519 HydrophobicContact CB-CD2 4.18Å; M490-W519 HydrophobicContact CB-CG 4.43Å; M490-W519 HydrophobicContact CB-CZ2 4.13Å; M490-W519 HydrophobicContact CE-CD2 3.8Å; M490-W519 HydrophobicContact CE-CE3 3.32Å; M490-W519 HydrophobicContact CE-CH2 3.41Å; M490-W519 VanDerWaalsContact CE-CH2 3.41Å; M490-W519 HydrophobicContact CE-CZ2 3.87Å; M490-W519 HydrophobicContact CE-CZ3 3.12Å; M490-W519 HydrophobicContact CG-CD2 4.4Å
491	S	90.3	Very high	88.9	Confident	41 Å²	41	37 Å²	37	29%	0.287	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-26	-171.6	60.2	0	0	0	0	114.3	D489 N517	D489-S491 WeakPolarHBondContact OD1-CB 3.18Å; D489-S491 PolarHBondContact OD1-N 3.47Å; D489-S491 PolarHBondContact OD1-OG 2.89Å; D489-S491 PolarHBondContact OD2-OG 3.37Å; S491-N517 WeakPolarHBondContact CA-ND2 3.43Å; S491-N517 WeakPolarHBondContact CA-OD1 3.15Å; S491-N517 PolarHBondContact O-ND2 3.29Å
492	E	85.8	Confident	89	Confident	116 Å²	116	38.1 Å²	38.1	54%	0.542	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	13.4	-177.8	-69.1	177.7	-129.3	0	0	113.9	R214 M490 P494	R214-E492 IonicContact CZ-OE1 3.17Å; R214-E492 IonicContact CZ-OE2 3.04Å; R214-E492 VanDerWaalsContact CZ-OE2 3.25Å; R214-E492 IonicContact NH1-OE1 2.6Å; R214-E492 PolarHBondContact NH1-OE1 3.07Å; R214-E492 IonicContact NH1-OE2 3.29Å; R214-E492 PolarHBondContact NH1-OE2 3.35Å; R214-E492 IonicContact NH2-OE1 3.18Å; R214-E492 IonicContact NH2-OE2 3Å; R214-E492 PolarHBondContact NH2-OE2 3.2Å; M490-E492 PolarHBondContact O-N 2.92Å; E492-P494 WeakPolarHBondContact O-CD 3.49Å
493	S	86.2	Confident	89.3	Confident	5 Å²	5	38.7 Å²	38.7	4%	0.035	22%	0.216	C	C	.	.			trans	-122.8	72.4	-178.5	-76.2	0	0	0	0	111.8	L212 M490 E495 I496 F497	L212-S493 WeakPolarHBondContact CD2-OG 3.32Å; M490-S493 PolarHBondContact O-N 2.93Å; S493-E495 WeakPolarHBondContact CA-OE2 3.41Å; S493-E495 WeakPolarHBondContact CB-OE1 3.27Å; S493-E495 PolarHBondContact O-N 3.14Å; S493-E495 PolarHBondContact OG-OE1 3.01Å; S493-I496 VanDerWaalsContact CB-CD1 3.49Å; S493-I496 PolarHBondContact O-N 3.38Å; S493-F497 WeakPolarHBondContact O-CE2 3.21Å
494	P	85.4	Confident	89.7	Confident	69 Å²	69	39.4 Å²	39.4	45%	0.448	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-57.4	-31	-177.7	24.1	-34.2	0	0	0	113.5	E492 I496 F497	E492-P494 WeakPolarHBondContact O-CD 3.49Å; P494-I496 PolarHBondContact O-N 3.08Å; P494-F497 PolarHBondContact O-N 3.01Å
495	E	84.1	Confident	89.9	Confident	46 Å²	46	39.6 Å²	39.6	22%	0.215	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-60.6	-18.6	-176.8	65.7	-79.8	-179.7	0	0	114.8	K208 S493 F497	K208-E495 HydrophobicContact CD-CG 4.3Å; K208-E495 PolarHBondContact NZ-O 3.11Å; S493-E495 WeakPolarHBondContact CA-OE2 3.41Å; S493-E495 WeakPolarHBondContact CB-OE1 3.27Å; S493-E495 PolarHBondContact O-N 3.14Å; S493-E495 PolarHBondContact OG-OE1 3.01Å; E495-F497 VanDerWaalsContact C-N 3.31Å
496	I	85.2	Confident	90.1	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-71.6	-30.5	175.1	-67	166.6	0	0	0	110.9	Q205 K208 L209 L212 M490 S493 P494	Q205-I496 PolarHBondContact NE2-O 3.14Å; K208-I496 HydrophobicContact CB-CG1 4.48Å; L209-I496 HydrophobicContact CD2-CD1 4.12Å; L209-I496 HydrophobicContact CD2-CG1 4.32Å; L209-I496 HydrophobicContact CD2-CG2 3.75Å; L212-I496 HydrophobicContact CD1-CD1 3.51Å; L212-I496 HydrophobicContact CD2-CD1 3.77Å; L212-I496 HydrophobicContact CG-CD1 3.93Å; M490-I496 HydrophobicContact CB-CD1 4.35Å; M490-I496 HydrophobicContact SD-CD1 4.33Å; S493-I496 VanDerWaalsContact CB-CD1 3.49Å; S493-I496 PolarHBondContact O-N 3.38Å; P494-I496 PolarHBondContact O-N 3.08Å
497	F	90	Very high	90.2	Very high	10 Å²	10	42.3 Å²	42.3	4%	0.044	24%	0.235	C	C	.	.	S	Bend	trans	-96.7	-3.2	-171.9	-51.6	-76.3	0	0	0	113.2	M490 S493 P494 E495 R509 R512 W519	M490-F497 HydrophobicContact CB-CZ 4.12Å; S493-F497 WeakPolarHBondContact O-CE2 3.21Å; P494-F497 PolarHBondContact O-N 3.01Å; E495-F497 VanDerWaalsContact C-N 3.31Å; F497-R509 HydrophobicContact CB-CG 4.33Å; F497-R509 PolarHBondContact O-NH1 3.39Å; F497-R512 VanDerWaalsContact CB-NH1 3.29Å; F497-R512 HydrophobicContact CD1-CB 4.18Å; F497-R512 HydrophobicContact CE1-CB 3.81Å; F497-R512 HydrophobicContact CE1-CG 4.22Å; F497-R512 VanDerWaalsContact CG-NH1 3.26Å; F497-R512 HydrophobicContact CZ-CB 4.33Å; F497-R512 HydrophobicContact CZ-CG 4.29Å; F497-W519 HydrophobicContact CE1-CH2 4.13Å; F497-W519 AromaticContact CE1-CZ2 3.79Å; F497-W519 HydrophobicContact CE1-CZ2 3.79Å; F497-W519 HydrophobicContact CZ-CH2 4.3Å; F497-W519 AromaticContact CZ-CZ2 3.57Å; F497-W519 HydrophobicContact CZ-CZ2 3.57Å
498	E	88	Confident	90.3	Very high	132 Å²	132	42 Å²	42	62%	0.617	23%	0.234	S	C	*	.			trans	-89.5	-14	-176.2	-67.9	172.5	-177.5	0	0	113.5
499	C	86.5	Confident	90.6	Very high	19 Å²	19	44.9 Å²	44.9	13%	0.128	24%	0.244	C	C	.	.			trans	-68.4	148.6	178.9	-69.7	0	0	0	0	111.9	Q205 F505 R509	Q205-C499 PolarHBondContact OE1-SG 3.06Å; C499-F505 HydrophobicContact CB-CB 4.38Å; C499-F505 HydrophobicContact CB-CD1 3.39Å; C499-F505 HydrophobicContact CB-CD2 4.22Å; C499-F505 HydrophobicContact CB-CE1 3.56Å; C499-F505 HydrophobicContact CB-CE2 4.36Å; C499-F505 HydrophobicContact CB-CG 3.75Å; C499-F505 HydrophobicContact CB-CZ 4.05Å; C499-F505 WeakPolarHBondContact O-CB 3.23Å; C499-R509 PolarHBondContact O-NH1 3.22Å
500	E	88.2	Confident	90.9	Very high	159 Å²	159	46.1 Å²	46.1	74%	0.743	25%	0.25	S	S	*	.			trans	-139	170	-178.5	-65.3	-172.8	174.6	0	0	111.2	F505	E500-F505 VanDerWaalsContact C-CD2 3.45Å; E500-F505 WeakPolarHBondContact O-CD2 3.16Å; E500-F505 WeakPolarHBondContact O-CE2 3.42Å
501	G	88.6	Confident	91.2	Very high	87 Å²	87	46.3 Å²	46.3	90%	0.897	25%	0.251	S	S	*	.	S	Bend	trans	102.2	-7	172.5	0	0	0	0	0	115.5
502	D	92.8	Very high	91.5	Very high	37 Å²	37	48.5 Å²	48.5	20%	0.198	25%	0.253	C	S	.	.	S	Bend	trans	-146.1	143.7	175	-170.7	-65	0	0	0	109.8	Q504 F505 Y533 K537	D502-Q504 HydrophobicContact CB-CG 4Å; D502-Q504 PolarHBondContact O-N 3.12Å; D502-Q504 VanDerWaalsContact O-N 3.1Å; D502-Q504 WeakPolarHBondContact OD1-CB 3.48Å; D502-Q504 WeakPolarHBondContact OD1-CG 3.33Å; D502-Q504 PolarHBondContact OD1-N 3.39Å; D502-F505 HydrophobicContact CB-CD2 3.89Å; D502-F505 HydrophobicContact CB-CE2 3.72Å; D502-F505 VanDerWaalsContact O-CD2 3.26Å; D502-F505 WeakPolarHBondContact O-CD2 3.34Å; D502-F505 PolarHBondContact O-N 2.93Å; D502-Y533 VanDerWaalsContact OD1-CE2 3.31Å; D502-Y533 WeakPolarHBondContact OD1-CE2 3.46Å; D502-K537 IonicContact OD1-NZ 3.16Å; D502-K537 IonicContact OD2-NZ 3.39Å; D502-K537 PolarHBondContact OD2-NZ 3.12Å
503	Y	95.6	Very high	92	Very high	63 Å²	63	49.3 Å²	49.3	25%	0.247	26%	0.257	C	S	.	.	H	α-helix	trans	-58.3	-23.7	-179.3	-176.6	-138.1	0	0	0	113	F505 D506 I507 I510 H532 Y533	Y503-F505 PolarHBondContact O-N 3.27Å; Y503-D506 HydrophobicContact CD2-CB 3.73Å; Y503-D506 HydrophobicContact CE2-CB 3.94Å; Y503-D506 WeakPolarHBondContact O-CB 3.48Å; Y503-D506 PolarHBondContact O-N 3.12Å; Y503-D506 VanDerWaalsContact O-N 3.09Å; Y503-I507 HydrophobicContact CD1-CD1 4.36Å; Y503-I507 HydrophobicContact CD2-CD1 4.31Å; Y503-I507 HydrophobicContact CE1-CD1 3.77Å; Y503-I507 HydrophobicContact CE2-CD1 3.7Å; Y503-I507 WeakPolarHBondContact O-CG1 3.38Å; Y503-I507 PolarHBondContact O-N 2.88Å; Y503-I507 VanDerWaalsContact O-N 3.17Å; Y503-I507 WeakPolarHBondContact OH-CD1 3.3Å; Y503-I510 HydrophobicContact CE2-CD1 4.49Å; Y503-H532 AromaticContact CE1-CE1 3.85Å; Y503-H532 AromaticContact CE1-ND1 3.27Å; Y503-H532 VanDerWaalsContact CE1-ND1 3.27Å; Y503-H532 WeakPolarHBondContact CE1-ND1 3.42Å; Y503-H532 AromaticContact CZ-CE1 3.86Å; Y503-H532 AromaticContact CZ-ND1 3.42Å; Y503-H532 PolarHBondContact OH-CE1 3.14Å; Y503-H532 PolarHBondContact OH-ND1 2.89Å; Y503-Y533 AromaticContact CD1-CD2 3.75Å; Y503-Y533 HydrophobicContact CD1-CD2 3.75Å; Y503-Y533 HydrophobicContact CD1-CG 4.38Å; Y503-Y533 HydrophobicContact CG-CD2 4.21Å
504	Q	94.8	Very high	92.5	Very high	15 Å²	15	52.1 Å²	52.1	7%	0.07	27%	0.272	C	S	.	.	H	α-helix	trans	-55.2	-34.1	172.8	73.1	-174.3	-29.8	0	0	112.2	H437 D502 I507 Y508 W530 Y533	H437-Q504 PolarHBondContact CD2-OE1 2.94Å; D502-Q504 HydrophobicContact CB-CG 4Å; D502-Q504 PolarHBondContact O-N 3.12Å; D502-Q504 VanDerWaalsContact O-N 3.1Å; D502-Q504 WeakPolarHBondContact OD1-CB 3.48Å; D502-Q504 WeakPolarHBondContact OD1-CG 3.33Å; D502-Q504 PolarHBondContact OD1-N 3.39Å; Q504-I507 WeakPolarHBondContact O-CB 3.39Å; Q504-I507 PolarHBondContact O-N 3.28Å; Q504-Y508 WeakPolarHBondContact O-CD2 3.42Å; Q504-Y508 PolarHBondContact O-N 3.12Å; Q504-W530 HydrophobicContact CB-CH2 4.14Å; Q504-W530 HydrophobicContact CB-CZ3 4.12Å; Q504-Y533 HydrophobicContact CB-CD2 4.2Å; Q504-Y533 HydrophobicContact CB-CE2 3.61Å
505	F	94.3	Very high	93	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-75.1	-30.2	-178.3	-52.3	-59.3	0	0	0	112.3	Q205 C499 E500 D502 Y503 I507 Y508 R509	Q205-F505 HydrophobicContact CB-CE1 4.05Å; Q205-F505 HydrophobicContact CG-CD1 4.45Å; Q205-F505 HydrophobicContact CG-CE1 3.97Å; C499-F505 HydrophobicContact CB-CB 4.38Å; C499-F505 HydrophobicContact CB-CD1 3.39Å; C499-F505 HydrophobicContact CB-CD2 4.22Å; C499-F505 HydrophobicContact CB-CE1 3.56Å; C499-F505 HydrophobicContact CB-CE2 4.36Å; C499-F505 HydrophobicContact CB-CG 3.75Å; C499-F505 HydrophobicContact CB-CZ 4.05Å; C499-F505 WeakPolarHBondContact O-CB 3.23Å; E500-F505 VanDerWaalsContact C-CD2 3.45Å; E500-F505 WeakPolarHBondContact O-CD2 3.16Å; E500-F505 WeakPolarHBondContact O-CE2 3.42Å; D502-F505 HydrophobicContact CB-CD2 3.89Å; D502-F505 HydrophobicContact CB-CE2 3.72Å; D502-F505 VanDerWaalsContact O-CD2 3.26Å; D502-F505 WeakPolarHBondContact O-CD2 3.34Å; D502-F505 PolarHBondContact O-N 2.93Å; Y503-F505 PolarHBondContact O-N 3.27Å; F505-I507 VanDerWaalsContact C-N 3.31Å; F505-Y508 HydrophobicContact CD1-CD2 4.43Å; F505-Y508 HydrophobicContact CD1-CE2 4.45Å; F505-Y508 PolarHBondContact O-N 2.83Å; F505-R509 PolarHBondContact O-N 2.91Å
506	D	96.6	Very high	93.6	Very high	58 Å²	58	50.3 Å²	50.3	31%	0.31	28%	0.275	S	S	.	.	H	α-helix	trans	-65.2	-37.4	169.6	-62.7	-54.2	0	0	0	111	Y503 Y508 R509 I510	Y503-D506 HydrophobicContact CD2-CB 3.73Å; Y503-D506 HydrophobicContact CE2-CB 3.94Å; Y503-D506 WeakPolarHBondContact O-CB 3.48Å; Y503-D506 PolarHBondContact O-N 3.12Å; Y503-D506 VanDerWaalsContact O-N 3.09Å; D506-Y508 VanDerWaalsContact C-N 3.29Å; D506-Y508 PolarHBondContact O-N 2.88Å; D506-R509 PolarHBondContact O-N 3.3Å; D506-R509 VanDerWaalsContact O-N 3.09Å; D506-R509 IonicContact OD1-CZ 2.73Å; D506-R509 IonicContact OD1-NE 3.4Å; D506-R509 IonicContact OD1-NH2 2.98Å; D506-R509 PolarHBondContact OD1-NH2 3.2Å; D506-I510 HydrophobicContact CB-CD1 4.39Å; D506-I510 VanDerWaalsContact O-CG1 3.24Å; D506-I510 WeakPolarHBondContact O-CG1 3.33Å; D506-I510 PolarHBondContact O-N 3.08Å
507	I	97.1	Very high	94	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.8	-41.2	178.2	-54.8	-45.7	0	0	0	111.3	Y503 Q504 F505 R509 I510 M511 W530	Y503-I507 HydrophobicContact CD1-CD1 4.36Å; Y503-I507 HydrophobicContact CD2-CD1 4.31Å; Y503-I507 HydrophobicContact CE1-CD1 3.77Å; Y503-I507 HydrophobicContact CE2-CD1 3.7Å; Y503-I507 WeakPolarHBondContact O-CG1 3.38Å; Y503-I507 PolarHBondContact O-N 2.88Å; Y503-I507 VanDerWaalsContact O-N 3.17Å; Y503-I507 WeakPolarHBondContact OH-CD1 3.3Å; Q504-I507 WeakPolarHBondContact O-CB 3.39Å; Q504-I507 PolarHBondContact O-N 3.28Å; F505-I507 VanDerWaalsContact C-N 3.31Å; I507-R509 VanDerWaalsContact C-N 3.34Å; I507-R509 PolarHBondContact O-N 3.49Å; I507-I510 HydrophobicContact CD1-CD1 4.25Å; I507-I510 PolarHBondContact O-N 3.45Å; I507-M511 HydrophobicContact CG2-CE 4.28Å; I507-M511 HydrophobicContact CG2-CG 4.28Å; I507-M511 HydrophobicContact CG2-SD 4.39Å; I507-M511 WeakPolarHBondContact O-CB 3.22Å; I507-M511 WeakPolarHBondContact O-CG 3.43Å; I507-M511 PolarHBondContact O-N 2.85Å; I507-W530 HydrophobicContact CB-CH2 4.33Å; I507-W530 HydrophobicContact CB-CZ2 4.17Å; I507-W530 HydrophobicContact CG1-CZ3 4.5Å; I507-W530 HydrophobicContact CG2-CD2 3.89Å; I507-W530 HydrophobicContact CG2-CE3 4.43Å; I507-W530 HydrophobicContact CG2-CG 4.26Å; I507-W530 HydrophobicContact CG2-CH2 4.41Å; I507-W530 HydrophobicContact CG2-CZ2 3.84Å
508	Y	95.5	Very high	94.3	Very high	1 Å²	1	56.2 Å²	56.2	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-59.6	-43.8	174.8	-66.4	-61.7	0	0	0	112.7	Q205 L209 D435 Q504 F505 D506 M511 R512 W530	Q205-Y508 HydrophobicContact CG-CE2 4.26Å; L209-Y508 HydrophobicContact CD1-CE1 4.31Å; L209-Y508 WeakPolarHBondContact CD1-OH 3.33Å; L209-Y508 HydrophobicContact CD2-CE1 4.38Å; D435-Y508 PolarHBondContact OD1-OH 3.2Å; Q504-Y508 WeakPolarHBondContact O-CD2 3.42Å; Q504-Y508 PolarHBondContact O-N 3.12Å; F505-Y508 HydrophobicContact CD1-CD2 4.43Å; F505-Y508 HydrophobicContact CD1-CE2 4.45Å; F505-Y508 PolarHBondContact O-N 2.83Å; D506-Y508 VanDerWaalsContact C-N 3.29Å; D506-Y508 PolarHBondContact O-N 2.88Å; Y508-M511 HydrophobicContact CD1-CE 3.58Å; Y508-M511 HydrophobicContact CE1-CE 4.15Å; Y508-M511 HydrophobicContact CG-CE 4.43Å; Y508-R512 WeakPolarHBondContact O-CB 3.25Å; Y508-R512 PolarHBondContact O-N 2.92Å; Y508-W530 HydrophobicContact CE1-CZ2 4.11Å
509	R	96.5	Very high	94.6	Very high	63 Å²	63	49.9 Å²	49.9	24%	0.238	28%	0.278	C	S	.	.	H	α-helix	trans	-65.6	-43.7	177.5	-70.5	-176	-76	-88.2	4.6	111.8	F497 C499 F505 D506 I507 R512 E513	F497-R509 HydrophobicContact CB-CG 4.33Å; F497-R509 PolarHBondContact O-NH1 3.39Å; C499-R509 PolarHBondContact O-NH1 3.22Å; F505-R509 PolarHBondContact O-N 2.91Å; D506-R509 PolarHBondContact O-N 3.3Å; D506-R509 VanDerWaalsContact O-N 3.09Å; D506-R509 IonicContact OD1-CZ 2.73Å; D506-R509 IonicContact OD1-NE 3.4Å; D506-R509 IonicContact OD1-NH2 2.98Å; D506-R509 PolarHBondContact OD1-NH2 3.2Å; I507-R509 VanDerWaalsContact C-N 3.34Å; I507-R509 PolarHBondContact O-N 3.49Å; R509-R512 PolarHBondContact O-N 2.73Å; R509-E513 WeakPolarHBondContact O-CB 3.49Å; R509-E513 PolarHBondContact O-N 3.5Å
510	I	97.2	Very high	95	Very high	40 Å²	40	52.4 Å²	52.4	21%	0.205	28%	0.284	C	S	.	.	H	α-helix	trans	-61.5	-45.9	177.8	-67.6	163.7	0	0	0	110.4	Y503 D506 I507 R512 E513 N514 Y529	Y503-I510 HydrophobicContact CE2-CD1 4.49Å; D506-I510 HydrophobicContact CB-CD1 4.39Å; D506-I510 VanDerWaalsContact O-CG1 3.24Å; D506-I510 WeakPolarHBondContact O-CG1 3.33Å; D506-I510 PolarHBondContact O-N 3.08Å; I507-I510 HydrophobicContact CD1-CD1 4.25Å; I507-I510 PolarHBondContact O-N 3.45Å; I510-R512 PolarHBondContact O-N 3.06Å; I510-E513 PolarHBondContact O-N 3.21Å; I510-N514 VanDerWaalsContact O-CB 3.25Å; I510-N514 WeakPolarHBondContact O-CB 3.49Å; I510-N514 PolarHBondContact O-N 2.73Å; I510-Y529 HydrophobicContact CG2-CD1 3.98Å; I510-Y529 HydrophobicContact CG2-CD2 3.72Å; I510-Y529 HydrophobicContact CG2-CE1 3.82Å; I510-Y529 HydrophobicContact CG2-CE2 3.58Å; I510-Y529 HydrophobicContact CG2-CG 3.97Å
511	M	97.1	Very high	95.4	Very high	4 Å²	4	47 Å²	47	2%	0.02	26%	0.263	C	S	.	.	H	α-helix	trans	-60.7	-45.8	176.6	-72.9	-172.5	-59.3	0	0	111.7	R434 I507 Y508 E513 N514 N515 W519 Y529 W530	R434-M511 HydrophobicContact CB-CE 4.5Å; R434-M511 HydrophobicContact CB-SD 4.21Å; R434-M511 HydrophobicContact CG-SD 4.28Å; R434-M511 VanDerWaalsContact O-CE 3.23Å; R434-M511 WeakPolarHBondContact O-CE 3.45Å; I507-M511 HydrophobicContact CG2-CE 4.28Å; I507-M511 HydrophobicContact CG2-CG 4.28Å; I507-M511 HydrophobicContact CG2-SD 4.39Å; I507-M511 WeakPolarHBondContact O-CB 3.22Å; I507-M511 WeakPolarHBondContact O-CG 3.43Å; I507-M511 PolarHBondContact O-N 2.85Å; Y508-M511 HydrophobicContact CD1-CE 3.58Å; Y508-M511 HydrophobicContact CE1-CE 4.15Å; Y508-M511 HydrophobicContact CG-CE 4.43Å; M511-E513 VanDerWaalsContact C-N 3.34Å; M511-E513 PolarHBondContact O-N 3.34Å; M511-N514 PolarHBondContact O-N 3.05Å; M511-N515 PolarHBondContact O-N 3.3Å; M511-N515 PolarHBondContact O-ND2 3.49Å; M511-N515 PolarHBondContact O-OD1 3.28Å; M511-N515 VanDerWaalsContact O-OD1 3.1Å; M511-W519 HydrophobicContact CB-CH2 3.98Å; M511-W519 HydrophobicContact CB-CZ3 4.11Å; M511-W519 HydrophobicContact CE-CZ3 4.49Å; M511-Y529 HydrophobicContact CG-CD2 4.06Å; M511-W530 HydrophobicContact CE-CZ2 4.4Å
512	R	96.3	Very high	95.8	Very high	87 Å²	87	45.6 Å²	45.6	33%	0.328	23%	0.233	S	C	.	.	H	α-helix	trans	-60.9	-41.3	178.3	-173.8	-178.6	68.6	-179.4	0.9	112.4	F497 Y508 R509 I510 N515 G516 N517 W519	F497-R512 VanDerWaalsContact CB-NH1 3.29Å; F497-R512 HydrophobicContact CD1-CB 4.18Å; F497-R512 HydrophobicContact CE1-CB 3.81Å; F497-R512 HydrophobicContact CE1-CG 4.22Å; F497-R512 VanDerWaalsContact CG-NH1 3.26Å; F497-R512 HydrophobicContact CZ-CB 4.33Å; F497-R512 HydrophobicContact CZ-CG 4.29Å; Y508-R512 WeakPolarHBondContact O-CB 3.25Å; Y508-R512 PolarHBondContact O-N 2.92Å; R509-R512 PolarHBondContact O-N 2.73Å; I510-R512 PolarHBondContact O-N 3.06Å; R512-N515 WeakPolarHBondContact CA-OD1 3.38Å; R512-N515 PolarHBondContact O-OD1 2.93Å; R512-G516 PolarHBondContact O-N 2.98Å; R512-N517 HydrophobicContact CG-CB 4.05Å; R512-N517 WeakPolarHBondContact CG-OD1 3.37Å; R512-N517 PolarHBondContact O-N 2.81Å; R512-W519 HydrophobicContact CB-CH2 4.36Å; R512-W519 HydrophobicContact CB-CZ2 3.96Å; R512-W519 HydrophobicContact CG-CZ2 4.27Å
513	E	96.6	Very high	96	Very high	133 Å²	133	46.2 Å²	46.2	62%	0.621	23%	0.234	S	C	*	.	H	α-helix	trans	-67.3	-47.8	176.3	-175.4	176.1	-172.8	0	0	110.8	R509 I510 M511 N515 G516	R509-E513 WeakPolarHBondContact O-CB 3.49Å; R509-E513 PolarHBondContact O-N 3.5Å; I510-E513 PolarHBondContact O-N 3.21Å; M511-E513 VanDerWaalsContact C-N 3.34Å; M511-E513 PolarHBondContact O-N 3.34Å; E513-N515 PolarHBondContact O-N 2.92Å; E513-G516 PolarHBondContact O-N 3.29Å
514	N	95.8	Very high	96.2	Very high	65 Å²	65	44.4 Å²	44.4	35%	0.348	23%	0.23	S	C	.	.	H	α-helix	trans	-63.8	-38.1	-176.8	179.2	81.2	0	0	0	113.2	I510 M511 S525 Y529	I510-N514 VanDerWaalsContact O-CB 3.25Å; I510-N514 WeakPolarHBondContact O-CB 3.49Å; I510-N514 PolarHBondContact O-N 2.73Å; M511-N514 PolarHBondContact O-N 3.05Å; N514-S525 PolarHBondContact ND2-OG 3.43Å; N514-S525 VanDerWaalsContact ND2-OG 3.09Å; N514-Y529 HydrophobicContact CB-CE2 4.33Å; N514-Y529 PolarHBondContact OD1-OH 3.03Å
515	N	96	Very high	96.3	Very high	12 Å²	12	44.6 Å²	44.6	6%	0.064	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	4.4	179.1	72.2	8.7	0	0	0	113.7	M511 R512 E513 N517 D518 W519	M511-N515 PolarHBondContact O-N 3.3Å; M511-N515 PolarHBondContact O-ND2 3.49Å; M511-N515 PolarHBondContact O-OD1 3.28Å; M511-N515 VanDerWaalsContact O-OD1 3.1Å; R512-N515 WeakPolarHBondContact CA-OD1 3.38Å; R512-N515 PolarHBondContact O-OD1 2.93Å; E513-N515 PolarHBondContact O-N 2.92Å; N515-N517 PolarHBondContact O-N 3.48Å; N515-N517 VanDerWaalsContact OD1-CA 3.25Å; N515-N517 WeakPolarHBondContact OD1-CA 3.37Å; N515-N517 PolarHBondContact OD1-N 3.49Å; N515-D518 WeakPolarHBondContact CB-O 3.35Å; N515-D518 PolarHBondContact ND2-O 2.86Å; N515-D518 PolarHBondContact O-N 2.84Å; N515-W519 VanDerWaalsContact ND2-CE3 3.27Å; N515-W519 WeakPolarHBondContact ND2-CZ3 3.44Å
516	G	96.2	Very high	96.5	Very high	65 Å²	65	44.4 Å²	44.4	67%	0.67	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	26.8	-177.6	0	0	0	0	0	114	R512 E513 D518	R512-G516 PolarHBondContact O-N 2.98Å; E513-G516 PolarHBondContact O-N 3.29Å; G516-D518 PolarHBondContact O-N 3.37Å
517	N	95	Very high	96.6	Very high	55 Å²	55	41.7 Å²	41.7	29%	0.294	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	16.3	-170.6	-156.8	33.7	0	0	0	114.8	S491 R512 N515 W519	S491-N517 WeakPolarHBondContact CA-ND2 3.43Å; S491-N517 WeakPolarHBondContact CA-OD1 3.15Å; S491-N517 PolarHBondContact O-ND2 3.29Å; R512-N517 HydrophobicContact CG-CB 4.05Å; R512-N517 WeakPolarHBondContact CG-OD1 3.37Å; R512-N517 PolarHBondContact O-N 2.81Å; N515-N517 PolarHBondContact O-N 3.48Å; N515-N517 VanDerWaalsContact OD1-CA 3.25Å; N515-N517 WeakPolarHBondContact OD1-CA 3.37Å; N515-N517 PolarHBondContact OD1-N 3.49Å; N517-W519 PolarHBondContact OD1-NE1 3.27Å
518	D	95.4	Very high	96.7	Very high	79 Å²	79	41.8 Å²	41.8	42%	0.422	22%	0.219	S	C	.	.			trans	-97.2	107.3	169.3	-175.4	5.8	0	0	0	110.3	N515 G516 R520 P521	N515-D518 WeakPolarHBondContact CB-O 3.35Å; N515-D518 PolarHBondContact ND2-O 2.86Å; N515-D518 PolarHBondContact O-N 2.84Å; G516-D518 PolarHBondContact O-N 3.37Å; D518-R520 WeakPolarHBondContact OD1-CB 3.41Å; D518-R520 PolarHBondContact OD1-N 2.92Å; D518-R520 VanDerWaalsContact OD1-N 3.12Å; D518-P521 WeakPolarHBondContact O-CD 3.49Å; D518-P521 VanDerWaalsContact OD1-CD 3.3Å; D518-P521 WeakPolarHBondContact OD1-CD 3.39Å; D518-P521 WeakPolarHBondContact OD2-CD 3.43Å; D518-P521 VanDerWaalsContact OD2-CG 3.28Å; D518-P521 WeakPolarHBondContact OD2-CG 3.37Å
519	W	94.9	Very high	96.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.			trans	-86.6	-5.6	-174.7	-62.4	91.2	0	0	0	113.4	R434 Y487 V488 M490 F497 M511 R512 N515 N517	R434-W519 VanDerWaalsContact CZ-O 3.24Å; R434-W519 PolarHBondContact NH1-O 3.39Å; R434-W519 PolarHBondContact NH2-O 3.02Å; Y487-W519 HydrophobicContact CD2-CB 4Å; Y487-W519 WeakPolarHBondContact CD2-O 3.44Å; Y487-W519 HydrophobicContact CE2-CB 4.27Å; V488-W519 WeakPolarHBondContact O-CB 3.5Å; M490-W519 HydrophobicContact CB-CD2 4.18Å; M490-W519 HydrophobicContact CB-CG 4.43Å; M490-W519 HydrophobicContact CB-CZ2 4.13Å; M490-W519 HydrophobicContact CE-CD2 3.8Å; M490-W519 HydrophobicContact CE-CE3 3.32Å; M490-W519 HydrophobicContact CE-CH2 3.41Å; M490-W519 VanDerWaalsContact CE-CH2 3.41Å; M490-W519 HydrophobicContact CE-CZ2 3.87Å; M490-W519 HydrophobicContact CE-CZ3 3.12Å; M490-W519 HydrophobicContact CG-CD2 4.4Å; F497-W519 HydrophobicContact CE1-CH2 4.13Å; F497-W519 AromaticContact CE1-CZ2 3.79Å; F497-W519 HydrophobicContact CE1-CZ2 3.79Å; F497-W519 HydrophobicContact CZ-CH2 4.3Å; F497-W519 AromaticContact CZ-CZ2 3.57Å; F497-W519 HydrophobicContact CZ-CZ2 3.57Å; M511-W519 HydrophobicContact CB-CH2 3.98Å; M511-W519 HydrophobicContact CB-CZ3 4.11Å; M511-W519 HydrophobicContact CE-CZ3 4.49Å; R512-W519 HydrophobicContact CB-CH2 4.36Å; R512-W519 HydrophobicContact CB-CZ2 3.96Å; R512-W519 HydrophobicContact CG-CZ2 4.27Å; N515-W519 VanDerWaalsContact ND2-CE3 3.27Å; N515-W519 WeakPolarHBondContact ND2-CZ3 3.44Å; N517-W519 PolarHBondContact OD1-NE1 3.27Å
520	R	94.8	Very high	96.9	Very high	71 Å²	71	40.2 Å²	40.2	27%	0.268	21%	0.213	S	C	.	.	S	Bend	trans	-75.9	-48.3	-178.2	-175.1	-175.5	-176.9	-81.6	-0.8	113.4	E218 D220 R478 Y487 D518	E218-R520 IonicContact OE2-CZ 2.74Å; E218-R520 IonicContact OE2-NE 3.58Å; E218-R520 PolarHBondContact OE2-NE 3.32Å; E218-R520 IonicContact OE2-NH2 3.85Å; E218-R520 PolarHBondContact OE2-NH2 3.42Å; D220-R520 IonicContact OD2-CZ 2.67Å; D220-R520 IonicContact OD2-NH1 3.64Å; D220-R520 PolarHBondContact OD2-NH1 3.23Å; D220-R520 IonicContact OD2-NH2 3.75Å; D220-R520 PolarHBondContact OD2-NH2 3.28Å; R478-R520 PolarHBondContact NE-O 2.88Å; Y487-R520 HydrophobicContact CD1-CG 4.39Å; Y487-R520 HydrophobicContact CD2-CB 4.39Å; Y487-R520 HydrophobicContact CE1-CB 4.06Å; Y487-R520 HydrophobicContact CE1-CG 3.86Å; Y487-R520 HydrophobicContact CE2-CB 3.86Å; D518-R520 WeakPolarHBondContact OD1-CB 3.41Å; D518-R520 PolarHBondContact OD1-N 2.92Å; D518-R520 VanDerWaalsContact OD1-N 3.12Å
521	P	96.1	Very high	97	Very high	46 Å²	46	38.4 Å²	38.4	30%	0.299	20%	0.204	S	C	.	.	S	Bend	trans	-69.9	153.9	-174	-14	28.6	0	0	0	112.1	R434 D518 H523	R434-P521 PolarHBondContact NH2-O 3.37Å; D518-P521 WeakPolarHBondContact O-CD 3.49Å; D518-P521 VanDerWaalsContact OD1-CD 3.3Å; D518-P521 WeakPolarHBondContact OD1-CD 3.39Å; D518-P521 WeakPolarHBondContact OD2-CD 3.43Å; D518-P521 VanDerWaalsContact OD2-CG 3.28Å; D518-P521 WeakPolarHBondContact OD2-CG 3.37Å; P521-H523 PolarHBondContact O-N 3.4Å; P521-H523 PolarHBondContact O-ND1 3.12Å; P521-H523 VanDerWaalsContact O-ND1 3.1Å
522	F	97.4	Very high	97.1	Very high	58 Å²	58	39.2 Å²	39.2	25%	0.254	21%	0.207	S	C	.	.			trans	-74.6	114.2	177.4	-179.8	-139.1	0	0	0	111.3	E426 Q430 E432 P524	E426-F522 HydrophobicContact CB-CZ 4.18Å; E426-F522 HydrophobicContact CG-CE2 4.48Å; E426-F522 HydrophobicContact CG-CZ 4.1Å; Q430-F522 HydrophobicContact CB-CB 4.39Å; Q430-F522 HydrophobicContact CB-CD1 3.78Å; Q430-F522 HydrophobicContact CB-CD2 3.91Å; Q430-F522 HydrophobicContact CB-CE1 3.93Å; Q430-F522 HydrophobicContact CB-CE2 4.07Å; Q430-F522 HydrophobicContact CB-CG 3.77Å; Q430-F522 HydrophobicContact CB-CZ 4.05Å; Q430-F522 HydrophobicContact CG-CD1 3.91Å; Q430-F522 HydrophobicContact CG-CE1 4.1Å; Q430-F522 HydrophobicContact CG-CG 4.32Å; Q430-F522 WeakPolarHBondContact O-CD2 3.41Å; Q430-F522 WeakPolarHBondContact O-CE2 3.37Å; E432-F522 HydrophobicContact CG-CD2 3.86Å; E432-F522 HydrophobicContact CG-CE2 3.91Å; E432-F522 WeakPolarHBondContact OE1-CA 3.25Å; F522-P524 HydrophobicContact CD1-CG 4.35Å; F522-P524 HydrophobicContact CE1-CB 4.14Å; F522-P524 HydrophobicContact CE1-CG 3.82Å; F522-P524 HydrophobicContact CE2-CB 3.74Å; F522-P524 HydrophobicContact CE2-CG 4.14Å; F522-P524 HydrophobicContact CZ-CB 3.49Å; F522-P524 VanDerWaalsContact CZ-CB 3.49Å; F522-P524 HydrophobicContact CZ-CG 3.72Å; F522-P524 WeakPolarHBondContact O-CD 3.32Å
523	H	97.8	Very high	97.2	Very high	50 Å²	50	35.1 Å²	35.1	23%	0.231	19%	0.192	C	C	.	.			trans	-122.1	80.2	176.3	-66.2	95.9	0	0	0	110.6	E432 P521 S525 S526	E432-H523 VanDerWaalsContact CD-O 3.28Å; E432-H523 PolarHBondContact OE1-N 2.93Å; P521-H523 PolarHBondContact O-N 3.4Å; P521-H523 PolarHBondContact O-ND1 3.12Å; P521-H523 VanDerWaalsContact O-ND1 3.1Å; H523-S525 PolarHBondContact O-N 3.45Å; H523-S526 WeakPolarHBondContact O-CB 3.33Å; H523-S526 PolarHBondContact O-N 2.96Å; H523-S526 PolarHBondContact O-OG 3.17Å
524	P	98.1	Very high	97.3	Very high	24 Å²	24	28.8 Å²	28.8	16%	0.156	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-13.9	-174.2	21.6	-30.7	0	0	0	114.8	E426 F522 S526 N527 N571	E426-P524 HydrophobicContact CG-CB 4.33Å; F522-P524 HydrophobicContact CD1-CG 4.35Å; F522-P524 HydrophobicContact CE1-CB 4.14Å; F522-P524 HydrophobicContact CE1-CG 3.82Å; F522-P524 HydrophobicContact CE2-CB 3.74Å; F522-P524 HydrophobicContact CE2-CG 4.14Å; F522-P524 HydrophobicContact CZ-CB 3.49Å; F522-P524 VanDerWaalsContact CZ-CB 3.49Å; F522-P524 HydrophobicContact CZ-CG 3.72Å; F522-P524 WeakPolarHBondContact O-CD 3.32Å; P524-S526 PolarHBondContact O-N 3.26Å; P524-N527 WeakPolarHBondContact O-CB 3.42Å; P524-N527 PolarHBondContact O-N 3.08Å; P524-N527 VanDerWaalsContact O-N 3.09Å; P524-N571 CarbonylContact C-O 3.57Å
525	S	97.8	Very high	97.4	Very high	19 Å²	19	25.8 Å²	25.8	13%	0.133	15%	0.146	C	C	.	.	H	α-helix	trans	-57.6	-25.8	171.4	56.6	0	0	0	0	112.5	N514 H523 N527 L528 Y529 N571	N514-S525 PolarHBondContact ND2-OG 3.43Å; N514-S525 VanDerWaalsContact ND2-OG 3.09Å; H523-S525 PolarHBondContact O-N 3.45Å; S525-N527 PolarHBondContact O-N 3.09Å; S525-L528 WeakPolarHBondContact O-CA 3.48Å; S525-L528 WeakPolarHBondContact O-CB 3.35Å; S525-L528 PolarHBondContact O-N 3.11Å; S525-Y529 WeakPolarHBondContact O-CD2 3.38Å; S525-Y529 PolarHBondContact O-N 3.09Å; S525-Y529 VanDerWaalsContact O-N 3.11Å; S525-N571 PolarHBondContact N-O 2.91Å
526	S	98.3	Very high	97.4	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.021	15%	0.146	C	C	.	.	H	α-helix	trans	-57.3	-37.5	174.6	65.7	0	0	0	0	112.7	E432 H523 P524 L528 Y529 W530	E432-S526 WeakPolarHBondContact CB-OG 3.34Å; E432-S526 VanDerWaalsContact CG-OG 3.32Å; E432-S526 WeakPolarHBondContact CG-OG 3.39Å; E432-S526 WeakPolarHBondContact OE2-CB 3.42Å; E432-S526 PolarHBondContact OE2-OG 3.24Å; H523-S526 WeakPolarHBondContact O-CB 3.33Å; H523-S526 PolarHBondContact O-N 2.96Å; H523-S526 PolarHBondContact O-OG 3.17Å; P524-S526 PolarHBondContact O-N 3.26Å; S526-L528 VanDerWaalsContact C-N 3.31Å; S526-L528 PolarHBondContact O-N 3.24Å; S526-Y529 PolarHBondContact O-N 2.84Å; S526-W530 VanDerWaalsContact O-CD1 3.23Å; S526-W530 PolarHBondContact O-N 3.33Å
527	N	98.8	Very high	97.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-66.8	-32.6	175.3	-68.5	-32.2	0	0	0	112.1	L422 E426 F431 E432 H433 P524 S525 W530 L531	L422-N527 HydrophobicContact CD1-CB 4.14Å; E426-N527 WeakPolarHBondContact CG-ND2 3.27Å; E426-N527 PolarHBondContact OE1-ND2 2.96Å; F431-N527 PolarHBondContact O-ND2 3.27Å; E432-N527 WeakPolarHBondContact CA-OD1 3.31Å; H433-N527 PolarHBondContact N-OD1 2.96Å; H433-N527 VanDerWaalsContact N-OD1 3.07Å; P524-N527 WeakPolarHBondContact O-CB 3.42Å; P524-N527 PolarHBondContact O-N 3.08Å; P524-N527 VanDerWaalsContact O-N 3.09Å; S525-N527 PolarHBondContact O-N 3.09Å; N527-W530 PolarHBondContact O-N 3.47Å; N527-L531 WeakPolarHBondContact O-CG 3.46Å; N527-L531 PolarHBondContact O-N 3.17Å
528	L	98.7	Very high	97.5	Very high	3 Å²	3	20 Å²	20	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-69.1	-39.5	175.7	-61.6	-175.2	0	0	0	111.8	S525 S526 W530 L531 H532 V565 L566 Y570 A573 L576	S525-L528 WeakPolarHBondContact O-CA 3.48Å; S525-L528 WeakPolarHBondContact O-CB 3.35Å; S525-L528 PolarHBondContact O-N 3.11Å; S526-L528 VanDerWaalsContact C-N 3.31Å; S526-L528 PolarHBondContact O-N 3.24Å; L528-W530 VanDerWaalsContact C-N 3.3Å; L528-W530 PolarHBondContact O-N 2.86Å; L528-L531 HydrophobicContact CD2-CD1 4.27Å; L528-L531 PolarHBondContact O-N 3.16Å; L528-H532 WeakPolarHBondContact O-CB 3.42Å; L528-H532 PolarHBondContact O-N 3.42Å; L528-V565 HydrophobicContact CB-CG2 4.33Å; L528-V565 HydrophobicContact CD2-CG2 4.03Å; L528-L566 HydrophobicContact CB-CD2 4.09Å; L528-Y570 WeakPolarHBondContact CD1-O 3.06Å; L528-A573 HydrophobicContact CD2-CB 4.49Å; L528-L576 HydrophobicContact CD2-CB 4.11Å; L528-L576 HydrophobicContact CD2-CD2 3.95Å
529	Y	98.5	Very high	97.5	Very high	31 Å²	31	17.1 Å²	17.1	12%	0.122	9%	0.086	C	C	.	.	H	α-helix	trans	-60.7	-41.8	174.8	-55.7	-39.2	0	0	0	111.7	I510 M511 N514 S525 S526 H532 Y533 L566	I510-Y529 HydrophobicContact CG2-CD1 3.98Å; I510-Y529 HydrophobicContact CG2-CD2 3.72Å; I510-Y529 HydrophobicContact CG2-CE1 3.82Å; I510-Y529 HydrophobicContact CG2-CE2 3.58Å; I510-Y529 HydrophobicContact CG2-CG 3.97Å; M511-Y529 HydrophobicContact CG-CD2 4.06Å; N514-Y529 HydrophobicContact CB-CE2 4.33Å; N514-Y529 PolarHBondContact OD1-OH 3.03Å; S525-Y529 WeakPolarHBondContact O-CD2 3.38Å; S525-Y529 PolarHBondContact O-N 3.09Å; S525-Y529 VanDerWaalsContact O-N 3.11Å; S526-Y529 PolarHBondContact O-N 2.84Å; Y529-H532 WeakPolarHBondContact O-CB 3.42Å; Y529-H532 PolarHBondContact O-N 3.1Å; Y529-Y533 PolarHBondContact O-N 3.09Å; Y529-L566 HydrophobicContact CD1-CD1 4.04Å; Y529-L566 HydrophobicContact CD1-CD2 3.56Å; Y529-L566 HydrophobicContact CD1-CG 4.45Å; Y529-L566 HydrophobicContact CE1-CD2 3.97Å
530	W	98.6	Very high	97.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-69.5	-37.4	175.5	-78.3	113.5	0	0	0	113.6	R434 D435 L436 H437 Q504 I507 Y508 M511 S526 N527 L528 H532 Y533 L534	R434-W530 WeakPolarHBondContact O-CZ2 3.4Å; R434-W530 PolarHBondContact O-NE1 3.15Å; R434-W530 VanDerWaalsContact O-NE1 3.12Å; D435-W530 VanDerWaalsContact CA-CZ2 3.48Å; L436-W530 HydrophobicContact CB-CB 3.84Å; L436-W530 HydrophobicContact CB-CD2 3.98Å; L436-W530 HydrophobicContact CB-CE3 4.27Å; L436-W530 HydrophobicContact CB-CG 3.78Å; L436-W530 HydrophobicContact CD2-CB 4.43Å; L436-W530 VanDerWaalsContact N-CD2 3.29Å; L436-W530 VanDerWaalsContact N-CE2 3.33Å; L436-W530 VanDerWaalsContact O-CE3 3.27Å; H437-W530 HydrophobicContact CB-CH2 4.24Å; H437-W530 HydrophobicContact CB-CZ3 3.79Å; H437-W530 VanDerWaalsContact N-CZ3 3.31Å; Q504-W530 HydrophobicContact CB-CH2 4.14Å; Q504-W530 HydrophobicContact CB-CZ3 4.12Å; I507-W530 HydrophobicContact CB-CH2 4.33Å; I507-W530 HydrophobicContact CB-CZ2 4.17Å; I507-W530 HydrophobicContact CG1-CZ3 4.5Å; I507-W530 HydrophobicContact CG2-CD2 3.89Å; I507-W530 HydrophobicContact CG2-CE3 4.43Å; I507-W530 HydrophobicContact CG2-CG 4.26Å; I507-W530 HydrophobicContact CG2-CH2 4.41Å; I507-W530 HydrophobicContact CG2-CZ2 3.84Å; Y508-W530 HydrophobicContact CE1-CZ2 4.11Å; M511-W530 HydrophobicContact CE-CZ2 4.4Å; S526-W530 VanDerWaalsContact O-CD1 3.23Å; S526-W530 PolarHBondContact O-N 3.33Å; N527-W530 PolarHBondContact O-N 3.47Å; L528-W530 VanDerWaalsContact C-N 3.3Å; L528-W530 PolarHBondContact O-N 2.86Å; W530-H532 VanDerWaalsContact C-N 3.33Å; W530-Y533 AromaticContact CE3-CD1 3.84Å; W530-Y533 HydrophobicContact CE3-CD1 3.84Å; W530-Y533 HydrophobicContact CE3-CG 4.06Å; W530-Y533 AromaticContact CZ3-CD1 3.98Å; W530-Y533 HydrophobicContact CZ3-CD1 3.98Å; W530-Y533 HydrophobicContact CZ3-CE1 4.28Å; W530-Y533 HydrophobicContact CZ3-CG 4.16Å; W530-Y533 WeakPolarHBondContact O-CB 3.49Å; W530-Y533 PolarHBondContact O-N 2.68Å; W530-L534 WeakPolarHBondContact O-CG 3.46Å; W530-L534 PolarHBondContact O-N 3.29Å
531	L	98.7	Very high	97.4	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-61.5	-43.2	171.1	-79.2	170.3	0	0	0	111.3	I418 A419 L422 N527 L528 Y533 L534 M535 A573 L576	I418-L531 HydrophobicContact CB-CD2 4.32Å; I418-L531 HydrophobicContact CG2-CD2 3.74Å; A419-L531 HydrophobicContact CB-CD1 3.97Å; A419-L531 HydrophobicContact CB-CD2 4.02Å; L422-L531 HydrophobicContact CD1-CD1 4.26Å; L422-L531 HydrophobicContact CD1-CD2 4.25Å; L422-L531 HydrophobicContact CD1-CG 4.01Å; N527-L531 WeakPolarHBondContact O-CG 3.46Å; N527-L531 PolarHBondContact O-N 3.17Å; L528-L531 HydrophobicContact CD2-CD1 4.27Å; L528-L531 PolarHBondContact O-N 3.16Å; L531-Y533 VanDerWaalsContact C-N 3.34Å; L531-Y533 PolarHBondContact O-N 3.47Å; L531-L534 PolarHBondContact O-N 3.47Å; L531-M535 WeakPolarHBondContact O-CB 3.37Å; L531-M535 VanDerWaalsContact O-CG 3.31Å; L531-M535 WeakPolarHBondContact O-CG 3.36Å; L531-M535 PolarHBondContact O-N 3.16Å; L531-A573 HydrophobicContact CD1-CB 4.31Å; L531-L576 HydrophobicContact CD1-CD2 3.95Å
532	H	98.6	Very high	97.2	Very high	21 Å²	21	22.5 Å²	22.5	10%	0.097	12%	0.115	C	C	.	.	H	α-helix	trans	-59.4	-45.8	175	-177.6	-98.1	0	0	0	111.4	Y503 L528 Y529 W530 L534 M535 G536 Y562 V565 L566	Y503-H532 AromaticContact CE1-CE1 3.85Å; Y503-H532 AromaticContact CE1-ND1 3.27Å; Y503-H532 VanDerWaalsContact CE1-ND1 3.27Å; Y503-H532 WeakPolarHBondContact CE1-ND1 3.42Å; Y503-H532 AromaticContact CZ-CE1 3.86Å; Y503-H532 AromaticContact CZ-ND1 3.42Å; Y503-H532 PolarHBondContact OH-CE1 3.14Å; Y503-H532 PolarHBondContact OH-ND1 2.89Å; L528-H532 WeakPolarHBondContact O-CB 3.42Å; L528-H532 PolarHBondContact O-N 3.42Å; Y529-H532 WeakPolarHBondContact O-CB 3.42Å; Y529-H532 PolarHBondContact O-N 3.1Å; W530-H532 VanDerWaalsContact C-N 3.33Å; H532-L534 PolarHBondContact O-N 3.36Å; H532-M535 PolarHBondContact O-N 3.33Å; H532-G536 PolarHBondContact O-N 3.29Å; H532-Y562 AromaticContact CD2-CD2 3.66Å; H532-Y562 AromaticContact CD2-CE2 3.59Å; H532-Y562 PolarHBondContact CD2-O 3.41Å; H532-Y562 VanDerWaalsContact CD2-O 3.3Å; H532-Y562 AromaticContact CE1-CE2 3.48Å; H532-Y562 VanDerWaalsContact CE1-CE2 3.48Å; H532-Y562 WeakPolarHBondContact CE1-CE2 3.31Å; H532-Y562 AromaticContact CE1-CZ 3.44Å; H532-Y562 VanDerWaalsContact CE1-CZ 3.44Å; H532-Y562 PolarHBondContact CE1-OH 3.45Å; H532-Y562 VanDerWaalsContact CE1-OH 3.32Å; H532-Y562 AromaticContact ND1-CE2 3.94Å; H532-Y562 AromaticContact NE2-CD2 3.73Å; H532-Y562 AromaticContact NE2-CE1 3.65Å; H532-Y562 AromaticContact NE2-CE2 3.26Å; H532-Y562 VanDerWaalsContact NE2-CE2 3.26Å; H532-Y562 WeakPolarHBondContact NE2-CE2 3.29Å; H532-Y562 AromaticContact NE2-CZ 3.2Å; H532-Y562 WeakPolarHBondContact O-CE2 3.27Å; H532-V565 HydrophobicContact CB-CG1 3.75Å; H532-L566 HydrophobicContact CB-CD1 3.88Å; H532-L566 HydrophobicContact CB-CD2 4.23Å; H532-L566 HydrophobicContact CB-CG 3.94Å
533	Y	98.5	Very high	96.8	Very high	1 Å²	1	24.8 Å²	24.8	0%	0.004	14%	0.138	C	C	.	.	H	α-helix	trans	-55.3	-51.1	173.1	167	-89.2	0	0	0	112.6	H437 W438 D502 Y503 Q504 Y529 W530 L531 M535 G536 K537	H437-Y533 HydrophobicContact CB-CE1 4.08Å; W438-Y533 HydrophobicContact CB-CE1 4.47Å; D502-Y533 VanDerWaalsContact OD1-CE2 3.31Å; D502-Y533 WeakPolarHBondContact OD1-CE2 3.46Å; Y503-Y533 AromaticContact CD1-CD2 3.75Å; Y503-Y533 HydrophobicContact CD1-CD2 3.75Å; Y503-Y533 HydrophobicContact CD1-CG 4.38Å; Y503-Y533 HydrophobicContact CG-CD2 4.21Å; Q504-Y533 HydrophobicContact CB-CD2 4.2Å; Q504-Y533 HydrophobicContact CB-CE2 3.61Å; Y529-Y533 PolarHBondContact O-N 3.09Å; W530-Y533 AromaticContact CE3-CD1 3.84Å; W530-Y533 HydrophobicContact CE3-CD1 3.84Å; W530-Y533 HydrophobicContact CE3-CG 4.06Å; W530-Y533 AromaticContact CZ3-CD1 3.98Å; W530-Y533 HydrophobicContact CZ3-CD1 3.98Å; W530-Y533 HydrophobicContact CZ3-CE1 4.28Å; W530-Y533 HydrophobicContact CZ3-CG 4.16Å; W530-Y533 WeakPolarHBondContact O-CB 3.49Å; W530-Y533 PolarHBondContact O-N 2.68Å; L531-Y533 VanDerWaalsContact C-N 3.34Å; L531-Y533 PolarHBondContact O-N 3.47Å; Y533-M535 PolarHBondContact O-N 3.42Å; Y533-G536 WeakPolarHBondContact O-CA 3.24Å; Y533-G536 PolarHBondContact O-N 3.26Å; Y533-G536 VanDerWaalsContact O-N 3.13Å; Y533-K537 HydrophobicContact CD1-CG 4.49Å; Y533-K537 HydrophobicContact CE1-CG 3.88Å; Y533-K537 HydrophobicContact CE2-CD 4.42Å; Y533-K537 HydrophobicContact CE2-CG 4.22Å; Y533-K537 VanDerWaalsContact CZ-CE 3.44Å; Y533-K537 PolarHBondContact O-N 3.03Å; Y533-K537 WeakPolarHBondContact OH-CE 3.48Å
534	L	98.5	Very high	96.4	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.2	-41.6	-178.3	-71.4	171.3	0	0	0	112.1	L400 I415 I418 L436 W438 V441 W530 L531 H532 G536 K537 L538	L400-L534 HydrophobicContact CD2-CD2 4.19Å; I415-L534 HydrophobicContact CD1-CB 4.26Å; I418-L534 HydrophobicContact CD1-CD1 3.75Å; I418-L534 HydrophobicContact CG2-CD1 4.11Å; L436-L534 HydrophobicContact CD2-CD1 3.96Å; L436-L534 HydrophobicContact CG-CD1 4.05Å; W438-L534 HydrophobicContact CB-CD2 4.07Å; V441-L534 HydrophobicContact CG2-CD1 4.21Å; V441-L534 HydrophobicContact CG2-CD2 4.02Å; W530-L534 WeakPolarHBondContact O-CG 3.46Å; W530-L534 PolarHBondContact O-N 3.29Å; L531-L534 PolarHBondContact O-N 3.47Å; H532-L534 PolarHBondContact O-N 3.36Å; L534-G536 VanDerWaalsContact C-N 3.3Å; L534-G536 PolarHBondContact O-N 3.32Å; L534-K537 PolarHBondContact O-N 3.16Å; L534-L538 WeakPolarHBondContact O-CG 3.39Å; L534-L538 PolarHBondContact O-N 2.95Å
535	M	98.2	Very high	95.9	Very high	1 Å²	1	26.5 Å²	26.5	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-40.5	173.4	-70.7	-168.3	-72.1	0	0	111.3	I415 L531 H532 Y533 K537 L538 L539 L558 L561 Y562 V565	I415-M535 HydrophobicContact CD1-CB 4.5Å; I415-M535 HydrophobicContact CD1-CG 3.51Å; I415-M535 HydrophobicContact CG1-CG 3.9Å; I415-M535 HydrophobicContact CG2-CG 4.26Å; I415-M535 HydrophobicContact CG2-SD 4.24Å; L531-M535 WeakPolarHBondContact O-CB 3.37Å; L531-M535 VanDerWaalsContact O-CG 3.31Å; L531-M535 WeakPolarHBondContact O-CG 3.36Å; L531-M535 PolarHBondContact O-N 3.16Å; H532-M535 PolarHBondContact O-N 3.33Å; Y533-M535 PolarHBondContact O-N 3.42Å; M535-K537 PolarHBondContact O-N 3.48Å; M535-L538 PolarHBondContact O-N 2.6Å; M535-L539 VanDerWaalsContact O-CB 3.27Å; M535-L539 WeakPolarHBondContact O-CB 3.44Å; M535-L539 VanDerWaalsContact O-CG 3.27Å; M535-L539 WeakPolarHBondContact O-CG 3.18Å; M535-L539 PolarHBondContact O-N 3Å; M535-L558 HydrophobicContact CB-CD1 4.33Å; M535-L558 HydrophobicContact CG-CD1 3.76Å; M535-L558 HydrophobicContact SD-CD1 3.74Å; M535-L561 HydrophobicContact CE-CD2 4.41Å; M535-L561 HydrophobicContact CE-CG 4.09Å; M535-L561 HydrophobicContact SD-CB 4.06Å; M535-L561 HydrophobicContact SD-CD2 3.59Å; M535-L561 VanDerWaalsContact SD-CD2 3.59Å; M535-L561 HydrophobicContact SD-CG 3.67Å; M535-Y562 HydrophobicContact CB-CD2 3.83Å; M535-V565 HydrophobicContact CE-CB 3.95Å; M535-V565 HydrophobicContact CE-CG1 3.55Å; M535-V565 HydrophobicContact CE-CG2 4.35Å
536	G	97.4	Very high	95	Very high	6 Å²	6	37.6 Å²	37.6	6%	0.062	19%	0.186	C	C	.	.	H	α-helix	trans	-58.6	-44.4	173.7	0	0	0	0	0	112.8	H532 Y533 L534 L539 N540	H532-G536 PolarHBondContact O-N 3.29Å; Y533-G536 WeakPolarHBondContact O-CA 3.24Å; Y533-G536 PolarHBondContact O-N 3.26Å; Y533-G536 VanDerWaalsContact O-N 3.13Å; L534-G536 VanDerWaalsContact C-N 3.3Å; L534-G536 PolarHBondContact O-N 3.32Å; G536-L539 PolarHBondContact O-N 3.47Å; G536-N540 VanDerWaalsContact O-CB 3.3Å; G536-N540 WeakPolarHBondContact O-CB 3.29Å; G536-N540 PolarHBondContact O-N 3.37Å; G536-N540 PolarHBondContact O-ND2 3.41Å
537	K	96.9	Very high	94.3	Very high	3 Å²	3	49 Å²	49	1%	0.013	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-44.8	174.6	-70.2	-55.5	-167.1	-177.4	0	112.3	W438 D502 Y533 L534 M535 E541 T542	W438-K537 HydrophobicContact CD2-CB 4.34Å; W438-K537 HydrophobicContact CD2-CD 4Å; W438-K537 HydrophobicContact CD2-CG 3.93Å; W438-K537 HydrophobicContact CE3-CB 3.65Å; W438-K537 HydrophobicContact CE3-CD 3.8Å; W438-K537 HydrophobicContact CE3-CG 3.71Å; W438-K537 HydrophobicContact CG-CG 4.33Å; W438-K537 HydrophobicContact CH2-CD 3.94Å; W438-K537 HydrophobicContact CZ2-CD 4.17Å; W438-K537 HydrophobicContact CZ3-CB 4.02Å; W438-K537 HydrophobicContact CZ3-CD 3.77Å; W438-K537 HydrophobicContact CZ3-CG 4.15Å; D502-K537 IonicContact OD1-NZ 3.16Å; D502-K537 IonicContact OD2-NZ 3.39Å; D502-K537 PolarHBondContact OD2-NZ 3.12Å; Y533-K537 HydrophobicContact CD1-CG 4.49Å; Y533-K537 HydrophobicContact CE1-CG 3.88Å; Y533-K537 HydrophobicContact CE2-CD 4.42Å; Y533-K537 HydrophobicContact CE2-CG 4.22Å; Y533-K537 VanDerWaalsContact CZ-CE 3.44Å; Y533-K537 PolarHBondContact O-N 3.03Å; Y533-K537 WeakPolarHBondContact OH-CE 3.48Å; L534-K537 PolarHBondContact O-N 3.16Å; M535-K537 PolarHBondContact O-N 3.48Å; K537-E541 HydrophobicContact CD-CB 4.33Å; K537-E541 VanDerWaalsContact CD-CD 3.42Å; K537-E541 HydrophobicContact CD-CG 4.31Å; K537-E541 WeakPolarHBondContact CD-OE1 3.33Å; K537-E541 WeakPolarHBondContact CD-OE2 3.47Å; K537-E541 WeakPolarHBondContact CE-OE1 3.46Å; K537-E541 IonicContact NZ-OE1 2.83Å; K537-E541 PolarHBondContact NZ-OE1 3.46Å; K537-E541 IonicContact NZ-OE2 3.98Å; K537-E541 PolarHBondContact NZ-OE2 2.94Å; K537-E541 CarbonylContact O-C 3.48Å; K537-E541 WeakPolarHBondContact O-CA 3.34Å; K537-E541 WeakPolarHBondContact O-CB 3.44Å; K537-E541 PolarHBondContact O-N 2.88Å; K537-T542 PolarHBondContact O-N 3.26Å; K537-T542 VanDerWaalsContact O-N 3.15Å; K537-T542 PolarHBondContact O-OG1 2.93Å
538	L	96.3	Very high	93.6	Very high	1 Å²	1	49.9 Å²	49.9	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-68.2	-35.7	179.1	-68.8	178.2	0	0	0	112.8	L400 F405 A411 V414 I415 L534 M535 T542 Y544 L558	L400-L538 HydrophobicContact CD1-CD2 4.3Å; L400-L538 HydrophobicContact CD2-CD2 4.35Å; F405-L538 HydrophobicContact CE2-CD2 3.8Å; F405-L538 HydrophobicContact CZ-CD2 3.92Å; A411-L538 HydrophobicContact CB-CD1 4.28Å; V414-L538 HydrophobicContact CB-CD1 4.28Å; V414-L538 HydrophobicContact CG1-CD1 4.01Å; I415-L538 HydrophobicContact CD1-CD1 3.7Å; I415-L538 HydrophobicContact CG1-CD1 3.72Å; L534-L538 WeakPolarHBondContact O-CG 3.39Å; L534-L538 PolarHBondContact O-N 2.95Å; M535-L538 PolarHBondContact O-N 2.6Å; L538-T542 WeakPolarHBondContact O-CB 3.49Å; L538-Y544 VanDerWaalsContact O-CE2 3.25Å; L538-Y544 WeakPolarHBondContact O-CE2 3.46Å; L538-Y544 PolarHBondContact O-OH 3.46Å; L538-L558 HydrophobicContact CB-CD2 4.33Å
539	L	95.2	Very high	93	Very high	19 Å²	19	55 Å²	55	10%	0.099	27%	0.267	C	S	.	.	H	α-helix	trans	-80.2	-35	-178.4	-76.2	170.4	0	0	0	113.4	M535 G536 E555 L558 R559 Y562	M535-L539 VanDerWaalsContact O-CB 3.27Å; M535-L539 WeakPolarHBondContact O-CB 3.44Å; M535-L539 VanDerWaalsContact O-CG 3.27Å; M535-L539 WeakPolarHBondContact O-CG 3.18Å; M535-L539 PolarHBondContact O-N 3Å; G536-L539 PolarHBondContact O-N 3.47Å; L539-E555 HydrophobicContact CD2-CG 3.99Å; L539-L558 HydrophobicContact CD1-CG 4.16Å; L539-L558 HydrophobicContact CD2-CB 4.06Å; L539-L558 HydrophobicContact CD2-CD2 3.74Å; L539-L558 HydrophobicContact CD2-CG 3.82Å; L539-L558 HydrophobicContact CG-CD2 3.84Å; L539-L558 HydrophobicContact CG-CG 3.92Å; L539-R559 HydrophobicContact CD1-CB 4.25Å; L539-R559 HydrophobicContact CD2-CB 4.33Å; L539-Y562 HydrophobicContact CD1-CD2 4.24Å; L539-Y562 HydrophobicContact CD1-CG 3.92Å
540	N	94	Very high	92.5	Very high	97 Å²	97	56.4 Å²	56.4	52%	0.519	28%	0.276	S	S	.	.	H	α-helix	trans	-118	-21.6	-165.2	-52.8	-44.1	0	0	0	113.9	G536 R559	G536-N540 VanDerWaalsContact O-CB 3.3Å; G536-N540 WeakPolarHBondContact O-CB 3.29Å; G536-N540 PolarHBondContact O-N 3.37Å; G536-N540 PolarHBondContact O-ND2 3.41Å; N540-R559 PolarHBondContact OD1-NH2 3.34Å
541	E	93.7	Very high	92	Very high	108 Å²	108	57.6 Å²	57.6	51%	0.505	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-0.6	-174.4	-64.4	-177.7	-131.9	0	0	113.4	W438 K537	W438-E541 HydrophobicContact CH2-CB 4.21Å; W438-E541 WeakPolarHBondContact CH2-OE2 3.24Å; W438-E541 HydrophobicContact CZ3-CB 4.16Å; K537-E541 HydrophobicContact CD-CB 4.33Å; K537-E541 VanDerWaalsContact CD-CD 3.42Å; K537-E541 HydrophobicContact CD-CG 4.31Å; K537-E541 WeakPolarHBondContact CD-OE1 3.33Å; K537-E541 WeakPolarHBondContact CD-OE2 3.47Å; K537-E541 WeakPolarHBondContact CE-OE1 3.46Å; K537-E541 IonicContact NZ-OE1 2.83Å; K537-E541 PolarHBondContact NZ-OE1 3.46Å; K537-E541 IonicContact NZ-OE2 3.98Å; K537-E541 PolarHBondContact NZ-OE2 2.94Å; K537-E541 CarbonylContact O-C 3.48Å; K537-E541 WeakPolarHBondContact O-CA 3.34Å; K537-E541 WeakPolarHBondContact O-CB 3.44Å; K537-E541 PolarHBondContact O-N 2.88Å
542	T	91.9	Very high	91.6	Very high	25 Å²	25	63.6 Å²	63.6	15%	0.153	31%	0.312	C	S	.	.			trans	-109.8	137.7	179.5	-56	0	0	0	0	110.6	F405 K537 L538 Y544	F405-T542 HydrophobicContact CD2-CG2 3.39Å; F405-T542 HydrophobicContact CE2-CG2 3.65Å; K537-T542 PolarHBondContact O-N 3.26Å; K537-T542 VanDerWaalsContact O-N 3.15Å; K537-T542 PolarHBondContact O-OG1 2.93Å; L538-T542 WeakPolarHBondContact O-CB 3.49Å; T542-Y544 HydrophobicContact CG2-CE1 4.03Å; T542-Y544 HydrophobicContact CG2-CE2 4.25Å
543	S	87.6	Confident	91.3	Very high	107 Å²	107	65.7 Å²	65.7	75%	0.748	33%	0.328	S	S	*	.			trans	-99.5	132.9	177.1	-66.6	0	0	0	0	111.5
544	Y	89.8	Confident	91.1	Very high	54 Å²	54	65.8 Å²	65.8	21%	0.212	33%	0.328	C	S	.	.			trans	-113	158.5	176.1	-55.5	-79.8	0	0	0	111.7	F405 C408 A411 L538 T542 R546	F405-Y544 HydrophobicContact CB-CD1 3.79Å; F405-Y544 HydrophobicContact CB-CE1 3.91Å; F405-Y544 AromaticContact CD2-CE1 3.92Å; F405-Y544 HydrophobicContact CD2-CE1 3.92Å; F405-Y544 HydrophobicContact CG-CD1 4.33Å; F405-Y544 AromaticContact CG-CE1 3.93Å; F405-Y544 HydrophobicContact CG-CE1 3.93Å; C408-Y544 VanDerWaalsContact SG-CB 3.52Å; C408-Y544 VanDerWaalsContact SG-CG 3.5Å; A411-Y544 HydrophobicContact CB-CE1 3.71Å; A411-Y544 VanDerWaalsContact CB-OH 3.29Å; A411-Y544 WeakPolarHBondContact CB-OH 3.42Å; L538-Y544 VanDerWaalsContact O-CE2 3.25Å; L538-Y544 WeakPolarHBondContact O-CE2 3.46Å; L538-Y544 PolarHBondContact O-OH 3.46Å; T542-Y544 HydrophobicContact CG2-CE1 4.03Å; T542-Y544 HydrophobicContact CG2-CE2 4.25Å; Y544-R546 PolarHBondContact O-N 2.84Å
545	P	87.4	Confident	90.8	Very high	55 Å²	55	68.9 Å²	68.9	36%	0.357	34%	0.343	S	S	.	.			trans	-61.4	128.2	177.4	-28.6	41	0	0	0	112.6	F405 N406 R547 D548	F405-P545 WeakPolarHBondContact O-CD 3.3Å; N406-P545 WeakPolarHBondContact O-CG 3.17Å; P545-R547 PolarHBondContact O-N 3.13Å; P545-D548 PolarHBondContact O-N 3.27Å
546	R	80.6	Confident	90.7	Very high	253 Å²	253	72.3 Å²	72.3	96%	0.955	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-17.2	-172.4	-65.9	-169.9	-173.5	-158.6	2.1	116.1	Y544	Y544-R546 PolarHBondContact O-N 2.84Å
547	R	82.3	Confident	90.6	Very high	241 Å²	241	76 Å²	76	91%	0.909	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.2	22.8	-174.4	-63.6	-175.5	-178.7	171.4	0.6	112.4	P545 P549	P545-R547 PolarHBondContact O-N 3.13Å; R547-P549 WeakPolarHBondContact O-CD 3.27Å
548	D	84.1	Confident	90.6	Very high	19 Å²	19	76.1 Å²	76.1	10%	0.102	38%	0.383	C	S	.	.			trans	-71.4	115	171.6	-172.3	-11.9	0	0	0	109.5	T407 C408 P545 D550 S551	T407-D548 WeakPolarHBondContact CA-OD2 3.38Å; T407-D548 VanDerWaalsContact CB-OD2 3.26Å; T407-D548 WeakPolarHBondContact CB-OD2 3.27Å; C408-D548 PolarHBondContact N-OD2 3.47Å; P545-D548 PolarHBondContact O-N 3.27Å; D548-D550 PolarHBondContact O-N 2.96Å; D548-D550 PolarHBondContact OD1-N 3.42Å; D548-S551 VanDerWaalsContact O-CB 3.28Å; D548-S551 WeakPolarHBondContact O-CB 3.4Å; D548-S551 PolarHBondContact O-N 3.47Å; D548-S551 VanDerWaalsContact O-N 3.15Å
549	P	85.4	Confident	90.6	Very high	111 Å²	111	79.8 Å²	79.8	72%	0.721	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.6	-179.2	26.5	-35.8	0	0	0	113.2	R547	R547-P549 WeakPolarHBondContact O-CD 3.27Å
550	D	89	Confident	90.6	Very high	61 Å²	61	81.5 Å²	81.5	33%	0.326	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.4	2.3	-178.3	-65.6	-22.8	0	0	0	112.8	R409 D548 Q552 P553 V554	R409-D550 WeakPolarHBondContact CD-OD2 3.47Å; R409-D550 HydrophobicContact CG-CB 4.22Å; R409-D550 IonicContact CZ-OD2 3.58Å; R409-D550 IonicContact NE-OD2 3.86Å; R409-D550 IonicContact NH1-OD2 2.61Å; R409-D550 PolarHBondContact NH1-OD2 2.98Å; D548-D550 PolarHBondContact O-N 2.96Å; D548-D550 PolarHBondContact OD1-N 3.42Å; D550-Q552 PolarHBondContact O-N 3.24Å; D550-P553 WeakPolarHBondContact O-CD 3.48Å; D550-V554 HydrophobicContact CB-CG2 4.15Å; D550-V554 WeakPolarHBondContact O-CB 3.48Å; D550-V554 WeakPolarHBondContact O-CG2 3.22Å; D550-V554 PolarHBondContact O-N 3.11Å; D550-V554 VanDerWaalsContact O-N 3.1Å
551	S	88	Confident	90.8	Very high	24 Å²	24	77.1 Å²	77.1	17%	0.168	39%	0.391	C	S	.	.	H	α-helix	trans	-55.6	-51.9	-177.6	161.7	0	0	0	0	112.4	D548 E555	D548-S551 VanDerWaalsContact O-CB 3.28Å; D548-S551 WeakPolarHBondContact O-CB 3.4Å; D548-S551 PolarHBondContact O-N 3.47Å; D548-S551 VanDerWaalsContact O-N 3.15Å; S551-E555 WeakPolarHBondContact O-CB 3.48Å; S551-E555 PolarHBondContact O-N 2.69Å
552	Q	90.3	Very high	91	Very high	128 Å²	128	74.5 Å²	74.5	60%	0.598	38%	0.376	S	S	*	.	H	α-helix	trans	-66.7	-48.3	-174.5	-70.5	-65.5	-62.8	0	0	113.3	D550 S556	D550-Q552 PolarHBondContact O-N 3.24Å; Q552-S556 WeakPolarHBondContact O-CB 3.26Å; Q552-S556 PolarHBondContact O-N 3.47Å; Q552-S556 PolarHBondContact O-OG 2.81Å
553	P	92.9	Very high	91.2	Very high	65 Å²	65	77.9 Å²	77.9	42%	0.422	39%	0.394	S	S	.	.	H	α-helix	trans	-60.2	-47.3	175.4	-24.6	33.7	0	0	0	113	D550 E555 S556 E557	D550-P553 WeakPolarHBondContact O-CD 3.48Å; P553-E555 PolarHBondContact O-N 2.74Å; P553-S556 PolarHBondContact O-N 2.73Å; P553-E557 WeakPolarHBondContact O-CG 3.33Å; P553-E557 PolarHBondContact O-N 2.88Å
554	V	93.2	Very high	91.6	Very high	3 Å²	3	77.5 Å²	77.5	2%	0.018	38%	0.381	C	S	.	.	H	α-helix	trans	-64.7	-44.5	-177.3	176.8	0	0	0	0	111.1	C408 R409 R412 D550 S556 E557 L558	C408-V554 HydrophobicContact CB-CB 4.02Å; C408-V554 HydrophobicContact CB-CG1 4.04Å; C408-V554 HydrophobicContact CB-CG2 4.46Å; C408-V554 WeakPolarHBondContact O-CG1 3.32Å; R409-V554 HydrophobicContact CG-CG2 4.1Å; R412-V554 HydrophobicContact CB-CG1 3.96Å; D550-V554 HydrophobicContact CB-CG2 4.15Å; D550-V554 WeakPolarHBondContact O-CB 3.48Å; D550-V554 WeakPolarHBondContact O-CG2 3.22Å; D550-V554 PolarHBondContact O-N 3.11Å; D550-V554 VanDerWaalsContact O-N 3.1Å; V554-S556 VanDerWaalsContact C-N 3.31Å; V554-S556 PolarHBondContact O-N 2.9Å; V554-E557 PolarHBondContact O-N 3.1Å; V554-L558 VanDerWaalsContact O-CB 3.3Å; V554-L558 WeakPolarHBondContact O-CB 3.44Å; V554-L558 PolarHBondContact O-N 3.28Å
555	E	93.2	Very high	91.9	Very high	65 Å²	65	74.9 Å²	74.9	30%	0.304	37%	0.371	S	S	.	.	H	α-helix	trans	-62.6	-39.9	177	-174.3	-179.8	169.1	0	0	111.5	L539 S551 P553 L558 R559	L539-E555 HydrophobicContact CD2-CG 3.99Å; S551-E555 WeakPolarHBondContact O-CB 3.48Å; S551-E555 PolarHBondContact O-N 2.69Å; P553-E555 PolarHBondContact O-N 2.74Å; E555-L558 PolarHBondContact O-N 2.65Å; E555-R559 WeakPolarHBondContact O-CB 3.45Å; E555-R559 PolarHBondContact O-N 3.38Å; E555-R559 IonicContact OE1-CZ 3.82Å; E555-R559 IonicContact OE1-NH1 2.72Å; E555-R559 PolarHBondContact OE1-NH1 3.23Å
556	S	95.3	Very high	92.3	Very high	73 Å²	73	75.5 Å²	75.5	51%	0.51	37%	0.371	S	S	.	.	H	α-helix	trans	-64.7	-44.9	178.4	-60.6	0	0	0	0	111.9	Q552 P553 V554 R559 A560	Q552-S556 WeakPolarHBondContact O-CB 3.26Å; Q552-S556 PolarHBondContact O-N 3.47Å; Q552-S556 PolarHBondContact O-OG 2.81Å; P553-S556 PolarHBondContact O-N 2.73Å; V554-S556 VanDerWaalsContact C-N 3.31Å; V554-S556 PolarHBondContact O-N 2.9Å; S556-R559 PolarHBondContact O-N 3.3Å; S556-A560 WeakPolarHBondContact O-CB 3.43Å; S556-A560 PolarHBondContact O-N 3.01Å
557	E	95.9	Very high	92.8	Very high	85 Å²	85	67.3 Å²	67.3	40%	0.397	36%	0.358	S	S	.	.	H	α-helix	trans	-65.3	-43.4	176.4	-72.1	173.5	-148.6	0	0	112.1	R412 P553 V554 R559 A560 L561 Y582	R412-E557 IonicContact CZ-OE2 3.96Å; R412-E557 IonicContact NE-OE2 3.01Å; R412-E557 PolarHBondContact NE-OE2 2.83Å; R412-E557 IonicContact NH2-OE1 2.66Å; R412-E557 PolarHBondContact NH2-OE1 3.22Å; R412-E557 IonicContact NH2-OE2 2.87Å; R412-E557 PolarHBondContact NH2-OE2 2.88Å; P553-E557 WeakPolarHBondContact O-CG 3.33Å; P553-E557 PolarHBondContact O-N 2.88Å; V554-E557 PolarHBondContact O-N 3.1Å; E557-R559 VanDerWaalsContact C-N 3.34Å; E557-A560 PolarHBondContact O-N 3.34Å; E557-L561 PolarHBondContact O-N 2.61Å; E557-Y582 HydrophobicContact CB-CD2 4.37Å; E557-Y582 HydrophobicContact CB-CE2 4.17Å
558	L	96.1	Very high	92.9	Very high	4 Å²	4	56.7 Å²	56.7	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-65.5	-39.3	178.5	-177	60.5	0	0	0	111.3	I415 M535 L538 L539 V554 E555 L561 Y562	I415-L558 HydrophobicContact CB-CD1 4.44Å; I415-L558 HydrophobicContact CG1-CD1 3.86Å; I415-L558 HydrophobicContact CG2-CD1 4.47Å; M535-L558 HydrophobicContact CB-CD1 4.33Å; M535-L558 HydrophobicContact CG-CD1 3.76Å; M535-L558 HydrophobicContact SD-CD1 3.74Å; L538-L558 HydrophobicContact CB-CD2 4.33Å; L539-L558 HydrophobicContact CD1-CG 4.16Å; L539-L558 HydrophobicContact CD2-CB 4.06Å; L539-L558 HydrophobicContact CD2-CD2 3.74Å; L539-L558 HydrophobicContact CD2-CG 3.82Å; L539-L558 HydrophobicContact CG-CD2 3.84Å; L539-L558 HydrophobicContact CG-CG 3.92Å; V554-L558 VanDerWaalsContact O-CB 3.3Å; V554-L558 WeakPolarHBondContact O-CB 3.44Å; V554-L558 PolarHBondContact O-N 3.28Å; E555-L558 PolarHBondContact O-N 2.65Å; L558-L561 PolarHBondContact O-N 2.77Å; L558-Y562 WeakPolarHBondContact O-CB 3.26Å; L558-Y562 PolarHBondContact O-N 3.4Å
559	R	96.4	Very high	93.1	Very high	79 Å²	79	62.6 Å²	62.6	30%	0.298	35%	0.354	S	S	.	.	H	α-helix	trans	-68.1	-38.9	175.3	-173.4	156.5	-84.9	114.6	-8.3	112	L539 N540 E555 S556 E557 L561 Y562 D563	L539-R559 HydrophobicContact CD1-CB 4.25Å; L539-R559 HydrophobicContact CD2-CB 4.33Å; N540-R559 PolarHBondContact OD1-NH2 3.34Å; E555-R559 WeakPolarHBondContact O-CB 3.45Å; E555-R559 PolarHBondContact O-N 3.38Å; E555-R559 IonicContact OE1-CZ 3.82Å; E555-R559 IonicContact OE1-NH1 2.72Å; E555-R559 PolarHBondContact OE1-NH1 3.23Å; S556-R559 PolarHBondContact O-N 3.3Å; E557-R559 VanDerWaalsContact C-N 3.34Å; R559-L561 VanDerWaalsContact C-N 3.34Å; R559-L561 PolarHBondContact O-N 3.05Å; R559-Y562 WeakPolarHBondContact O-CB 3.48Å; R559-Y562 PolarHBondContact O-N 3.1Å; R559-D563 VanDerWaalsContact O-CG 3.29Å; R559-D563 PolarHBondContact O-N 2.98Å
560	A	96.5	Very high	93.7	Very high	55 Å²	55	59.4 Å²	59.4	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-62	-41	172.6	0	0	0	0	0	112.2	S556 E557 M564	S556-A560 WeakPolarHBondContact O-CB 3.43Å; S556-A560 PolarHBondContact O-N 3.01Å; E557-A560 PolarHBondContact O-N 3.34Å; A560-M564 WeakPolarHBondContact O-CB 3.42Å; A560-M564 VanDerWaalsContact O-CG 3.26Å; A560-M564 WeakPolarHBondContact O-CG 3.22Å; A560-M564 PolarHBondContact O-N 3.26Å; A560-M564 VanDerWaalsContact O-N 3.11Å
561	L	97.4	Very high	94	Very high	5 Å²	5	61.7 Å²	61.7	3%	0.026	34%	0.34	C	S	.	.	H	α-helix	trans	-65.2	-43.5	174	-176.5	64.6	0	0	0	111.6	I415 M535 E557 L558 R559 D563 M564 V565 L576 Y582 F583	I415-L561 HydrophobicContact CG2-CD2 4.02Å; M535-L561 HydrophobicContact CE-CD2 4.41Å; M535-L561 HydrophobicContact CE-CG 4.09Å; M535-L561 HydrophobicContact SD-CB 4.06Å; M535-L561 HydrophobicContact SD-CD2 3.59Å; M535-L561 VanDerWaalsContact SD-CD2 3.59Å; M535-L561 HydrophobicContact SD-CG 3.67Å; E557-L561 PolarHBondContact O-N 2.61Å; L558-L561 PolarHBondContact O-N 2.77Å; R559-L561 VanDerWaalsContact C-N 3.34Å; R559-L561 PolarHBondContact O-N 3.05Å; L561-D563 PolarHBondContact O-N 3.43Å; L561-M564 PolarHBondContact O-N 3.5Å; L561-V565 WeakPolarHBondContact O-CB 3.4Å; L561-V565 PolarHBondContact O-N 2.96Å; L561-L576 HydrophobicContact CD1-CD1 4.01Å; L561-Y582 HydrophobicContact CB-CD2 3.94Å; L561-Y582 HydrophobicContact CB-CE2 4.23Å; L561-Y582 HydrophobicContact CB-CG 4.4Å; L561-Y582 HydrophobicContact CD1-CG 4.41Å; L561-Y582 HydrophobicContact CD2-CD1 3.68Å; L561-Y582 HydrophobicContact CD2-CD2 3.9Å; L561-Y582 HydrophobicContact CD2-CE1 3.79Å; L561-Y582 HydrophobicContact CD2-CE2 4.01Å; L561-Y582 HydrophobicContact CD2-CG 3.73Å; L561-Y582 HydrophobicContact CG-CD2 4.41Å; L561-Y582 HydrophobicContact CG-CG 4.41Å; L561-F583 HydrophobicContact CD1-CE2 4.48Å; L561-F583 HydrophobicContact CD2-CE2 4.32Å; L561-F583 HydrophobicContact CD2-CZ 4.36Å
562	Y	97.6	Very high	94.5	Very high	52 Å²	52	61.5 Å²	61.5	20%	0.204	34%	0.339	C	S	.	.	H	α-helix	trans	-56.2	-48	175.6	174.2	-90.3	0	0	0	111.7	H532 M535 L539 L558 R559 M564	H532-Y562 AromaticContact CD2-CD2 3.66Å; H532-Y562 AromaticContact CD2-CE2 3.59Å; H532-Y562 PolarHBondContact CD2-O 3.41Å; H532-Y562 VanDerWaalsContact CD2-O 3.3Å; H532-Y562 AromaticContact CE1-CE2 3.48Å; H532-Y562 VanDerWaalsContact CE1-CE2 3.48Å; H532-Y562 WeakPolarHBondContact CE1-CE2 3.31Å; H532-Y562 AromaticContact CE1-CZ 3.44Å; H532-Y562 VanDerWaalsContact CE1-CZ 3.44Å; H532-Y562 PolarHBondContact CE1-OH 3.45Å; H532-Y562 VanDerWaalsContact CE1-OH 3.32Å; H532-Y562 AromaticContact ND1-CE2 3.94Å; H532-Y562 AromaticContact NE2-CD2 3.73Å; H532-Y562 AromaticContact NE2-CE1 3.65Å; H532-Y562 AromaticContact NE2-CE2 3.26Å; H532-Y562 VanDerWaalsContact NE2-CE2 3.26Å; H532-Y562 WeakPolarHBondContact NE2-CE2 3.29Å; H532-Y562 AromaticContact NE2-CZ 3.2Å; H532-Y562 WeakPolarHBondContact O-CE2 3.27Å; M535-Y562 HydrophobicContact CB-CD2 3.83Å; L539-Y562 HydrophobicContact CD1-CD2 4.24Å; L539-Y562 HydrophobicContact CD1-CG 3.92Å; L558-Y562 WeakPolarHBondContact O-CB 3.26Å; L558-Y562 PolarHBondContact O-N 3.4Å; R559-Y562 WeakPolarHBondContact O-CB 3.48Å; R559-Y562 PolarHBondContact O-N 3.1Å; Y562-M564 VanDerWaalsContact C-N 3.3Å; Y562-M564 PolarHBondContact O-N 3.46Å
563	D	96	Very high	94.9	Very high	96 Å²	96	55.4 Å²	55.4	51%	0.513	31%	0.31	S	S	.	.	H	α-helix	trans	-66.1	-33.1	179.6	-66.8	-25.3	0	0	0	112.1	R559 L561 A567	R559-D563 VanDerWaalsContact O-CG 3.29Å; R559-D563 PolarHBondContact O-N 2.98Å; L561-D563 PolarHBondContact O-N 3.43Å; D563-A567 VanDerWaalsContact O-CB 3.29Å; D563-A567 WeakPolarHBondContact O-CB 3.26Å
564	M	95.8	Very high	95.1	Very high	99 Å²	99	54.1 Å²	54.1	49%	0.488	30%	0.301	S	S	.	.	H	α-helix	trans	-92.2	-21.7	-174.5	-70.5	-62.1	-57.9	0	0	115	A560 L561 Y562 L566 A567 G568	A560-M564 WeakPolarHBondContact O-CB 3.42Å; A560-M564 VanDerWaalsContact O-CG 3.26Å; A560-M564 WeakPolarHBondContact O-CG 3.22Å; A560-M564 PolarHBondContact O-N 3.26Å; A560-M564 VanDerWaalsContact O-N 3.11Å; L561-M564 PolarHBondContact O-N 3.5Å; Y562-M564 VanDerWaalsContact C-N 3.3Å; Y562-M564 PolarHBondContact O-N 3.46Å; M564-L566 VanDerWaalsContact C-N 3.29Å; M564-L566 PolarHBondContact O-N 3Å; M564-A567 PolarHBondContact O-N 2.84Å; M564-G568 WeakPolarHBondContact O-CA 3.26Å; M564-G568 PolarHBondContact O-N 2.68Å
565	V	96.8	Very high	95.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-64.5	-33.4	-170.6	70.7	0	0	0	0	112.7	L528 H532 M535 L561 L576	L528-V565 HydrophobicContact CB-CG2 4.33Å; L528-V565 HydrophobicContact CD2-CG2 4.03Å; H532-V565 HydrophobicContact CB-CG1 3.75Å; M535-V565 HydrophobicContact CE-CB 3.95Å; M535-V565 HydrophobicContact CE-CG1 3.55Å; M535-V565 HydrophobicContact CE-CG2 4.35Å; L561-V565 WeakPolarHBondContact O-CB 3.4Å; L561-V565 PolarHBondContact O-N 2.96Å; V565-L576 HydrophobicContact CG2-CD1 4.1Å; V565-L576 HydrophobicContact CG2-CD2 3.88Å
566	L	95.4	Very high	95.6	Very high	67 Å²	67	53.8 Å²	53.8	35%	0.351	30%	0.3	S	S	.	.	H	α-helix	trans	-103.8	-21.8	176.7	-56.7	-170	0	0	0	113.6	L528 Y529 H532 M564	L528-L566 HydrophobicContact CB-CD2 4.09Å; Y529-L566 HydrophobicContact CD1-CD1 4.04Å; Y529-L566 HydrophobicContact CD1-CD2 3.56Å; Y529-L566 HydrophobicContact CD1-CG 4.45Å; Y529-L566 HydrophobicContact CE1-CD2 3.97Å; H532-L566 HydrophobicContact CB-CD1 3.88Å; H532-L566 HydrophobicContact CB-CD2 4.23Å; H532-L566 HydrophobicContact CB-CG 3.94Å; M564-L566 VanDerWaalsContact C-N 3.29Å; M564-L566 PolarHBondContact O-N 3Å
567	A	91	Very high	95.7	Very high	82 Å²	82	50.3 Å²	50.3	68%	0.678	28%	0.276	S	S	*	.	H	α-helix	trans	-89	-20.3	178.6	0	0	0	0	0	113.3	D563 M564	D563-A567 VanDerWaalsContact O-CB 3.29Å; D563-A567 WeakPolarHBondContact O-CB 3.26Å; M564-A567 PolarHBondContact O-N 2.84Å
568	G	84.7	Confident	95.7	Very high	17 Å²	17	48.7 Å²	48.7	18%	0.175	27%	0.273	C	S	.	.	S	Bend	trans	-83.5	169.8	176.1	0	0	0	0	0	112.8	M564 Y570	M564-G568 WeakPolarHBondContact O-CA 3.26Å; M564-G568 PolarHBondContact O-N 2.68Å; G568-Y570 PolarHBondContact O-N 3.15Å
569	D	88.8	Confident	95.7	Very high	143 Å²	143	51.7 Å²	51.7	77%	0.765	30%	0.295	S	S	*	.	S	Bend	trans	-78.2	39	-179.8	-65.1	-34.8	0	0	0	113.1	Q575	D569-Q575 PolarHBondContact O-NE2 3.2Å; D569-Q575 PolarHBondContact O-OE1 3.34Å
570	Y	96.3	Very high	95.7	Very high	45 Å²	45	48.4 Å²	48.4	18%	0.176	28%	0.284	C	S	.	.			trans	-92.9	125.9	176.1	-54.6	-68.4	0	0	0	110.7	L528 G568 Q575 L576 S580	L528-Y570 WeakPolarHBondContact CD1-O 3.06Å; G568-Y570 PolarHBondContact O-N 3.15Å; Y570-Q575 HydrophobicContact CD1-CG 4.34Å; Y570-L576 HydrophobicContact CD1-CB 4.34Å; Y570-L576 HydrophobicContact CD1-CD1 3.98Å; Y570-L576 HydrophobicContact CD2-CD1 3.69Å; Y570-L576 HydrophobicContact CE1-CD1 4.03Å; Y570-L576 HydrophobicContact CE2-CD1 3.75Å; Y570-L576 HydrophobicContact CG-CD1 3.82Å; Y570-S580 WeakPolarHBondContact OH-CB 3.3Å
571	N	95.9	Very high	95.6	Very high	108 Å²	108	54.1 Å²	54.1	58%	0.578	30%	0.299	S	S	*	.			trans	-106.9	-8.3	179.1	-59.7	-65.1	0	0	0	113.3	P524 S525 Q575	P524-N571 CarbonylContact C-O 3.57Å; S525-N571 PolarHBondContact N-O 2.91Å; N571-Q575 PolarHBondContact ND2-OE1 2.96Å
572	S	98.3	Very high	95.5	Very high	20 Å²	20	54.9 Å²	54.9	14%	0.14	30%	0.302	C	S	.	.	S	Bend	trans	-158.8	159.6	-176.3	60.8	0	0	0	0	112	E426 T574 Q575 L576	E426-S572 WeakPolarHBondContact OE2-CB 3.15Å; S572-T574 PolarHBondContact O-N 3.2Å; S572-Q575 PolarHBondContact O-N 3.2Å; S572-Q575 WeakPolarHBondContact OG-CB 3.33Å; S572-Q575 PolarHBondContact OG-N 3.15Å; S572-L576 PolarHBondContact O-N 2.93Å
573	A	98.6	Very high	95.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-33.7	171.3	0	0	0	0	0	111.3	L422 A423 E426 L528 L531 L576 V577	L422-A573 HydrophobicContact CB-CB 3.89Å; A423-A573 HydrophobicContact CB-CB 4.27Å; E426-A573 WeakPolarHBondContact OE1-CB 3.35Å; E426-A573 PolarHBondContact OE1-N 3.47Å; E426-A573 PolarHBondContact OE2-N 3.04Å; L528-A573 HydrophobicContact CD2-CB 4.49Å; L531-A573 HydrophobicContact CD1-CB 4.31Å; A573-L576 WeakPolarHBondContact O-CB 3.4Å; A573-L576 PolarHBondContact O-N 3.44Å; A573-V577 WeakPolarHBondContact O-CG1 3.13Å; A573-V577 WeakPolarHBondContact O-CG2 3.25Å; A573-V577 PolarHBondContact O-N 3Å
574	T	98.3	Very high	95.5	Very high	38 Å²	38	51.4 Å²	51.4	23%	0.233	29%	0.286	C	S	.	.	H	α-helix	trans	-59.7	-45.7	174.5	-56.7	0	0	0	0	112	A423 E426 V455 S572 S578	A423-T574 PolarHBondContact O-OG1 3.05Å; E426-T574 WeakPolarHBondContact CB-OG1 3.41Å; E426-T574 WeakPolarHBondContact OE2-CB 3.34Å; E426-T574 PolarHBondContact OE2-N 2.95Å; E426-T574 PolarHBondContact OE2-OG1 3.07Å; V455-T574 HydrophobicContact CG1-CG2 3.89Å; S572-T574 PolarHBondContact O-N 3.2Å; T574-S578 WeakPolarHBondContact O-CB 3.49Å; T574-S578 PolarHBondContact O-N 3.32Å; T574-S578 PolarHBondContact O-OG 2.95Å
575	Q	97.6	Very high	95.4	Very high	60 Å²	60	51.2 Å²	51.2	28%	0.28	30%	0.295	S	S	.	.	H	α-helix	trans	-68.1	-40.1	175.3	-168.6	-175	-0.2	0	0	111.2	D569 Y570 N571 S572 S578 S579	D569-Q575 PolarHBondContact O-NE2 3.2Å; D569-Q575 PolarHBondContact O-OE1 3.34Å; Y570-Q575 HydrophobicContact CD1-CG 4.34Å; N571-Q575 PolarHBondContact ND2-OE1 2.96Å; S572-Q575 PolarHBondContact O-N 3.2Å; S572-Q575 WeakPolarHBondContact OG-CB 3.33Å; S572-Q575 PolarHBondContact OG-N 3.15Å; Q575-S578 WeakPolarHBondContact CA-OG 3.38Å; Q575-S578 PolarHBondContact O-N 2.74Å; Q575-S578 PolarHBondContact O-OG 3.3Å; Q575-S579 VanDerWaalsContact O-CB 3.27Å; Q575-S579 WeakPolarHBondContact O-CB 3.44Å; Q575-S579 PolarHBondContact O-N 3.45Å; Q575-S579 PolarHBondContact O-OG 3.03Å; Q575-S579 VanDerWaalsContact O-OG 3.12Å
576	L	98.1	Very high	95.4	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-57.4	-54.2	177.8	-176.8	69.7	0	0	0	111.7	L528 L531 L561 V565 Y570 S572 A573 S578 S579 S580 F583	L528-L576 HydrophobicContact CD2-CB 4.11Å; L528-L576 HydrophobicContact CD2-CD2 3.95Å; L531-L576 HydrophobicContact CD1-CD2 3.95Å; L561-L576 HydrophobicContact CD1-CD1 4.01Å; V565-L576 HydrophobicContact CG2-CD1 4.1Å; V565-L576 HydrophobicContact CG2-CD2 3.88Å; Y570-L576 HydrophobicContact CD1-CB 4.34Å; Y570-L576 HydrophobicContact CD1-CD1 3.98Å; Y570-L576 HydrophobicContact CD2-CD1 3.69Å; Y570-L576 HydrophobicContact CE1-CD1 4.03Å; Y570-L576 HydrophobicContact CE2-CD1 3.75Å; Y570-L576 HydrophobicContact CG-CD1 3.82Å; S572-L576 PolarHBondContact O-N 2.93Å; A573-L576 WeakPolarHBondContact O-CB 3.4Å; A573-L576 PolarHBondContact O-N 3.44Å; L576-S578 PolarHBondContact O-N 2.72Å; L576-S579 PolarHBondContact O-N 3.36Å; L576-S580 WeakPolarHBondContact O-CB 3.21Å; L576-S580 PolarHBondContact O-N 3Å; L576-F583 HydrophobicContact CD2-CE2 4.14Å; L576-F583 HydrophobicContact CD2-CZ 4.4Å; L576-F583 HydrophobicContact CG-CE2 3.9Å
577	V	98	Very high	95.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-71.3	-17.4	-176.7	-57.4	0	0	0	0	113.9	A419 L420 A423 V455 Y460 A573 F583	A419-V577 HydrophobicContact CB-CG1 3.96Å; L420-V577 HydrophobicContact CD2-CB 3.88Å; L420-V577 HydrophobicContact CD2-CG1 3.99Å; L420-V577 HydrophobicContact CD2-CG2 4.1Å; L420-V577 HydrophobicContact CG-CG1 4.22Å; A423-V577 HydrophobicContact CB-CG1 4.16Å; A423-V577 HydrophobicContact CB-CG2 3.53Å; V455-V577 HydrophobicContact CG1-CG2 4.47Å; Y460-V577 PolarHBondContact OH-O 2.94Å; A573-V577 WeakPolarHBondContact O-CG1 3.13Å; A573-V577 WeakPolarHBondContact O-CG2 3.25Å; A573-V577 PolarHBondContact O-N 3Å; V577-F583 HydrophobicContact CB-CD1 4.36Å; V577-F583 HydrophobicContact CB-CD2 4.43Å; V577-F583 HydrophobicContact CB-CG 4.21Å; V577-F583 HydrophobicContact CG1-CD1 4.02Å; V577-F583 HydrophobicContact CG1-CD2 4.34Å; V577-F583 HydrophobicContact CG1-CE1 3.91Å; V577-F583 HydrophobicContact CG1-CE2 4.27Å; V577-F583 HydrophobicContact CG1-CG 4.23Å; V577-F583 HydrophobicContact CG1-CZ 4.05Å
578	S	96.5	Very high	95.5	Very high	50 Å²	50	52.2 Å²	52.2	35%	0.35	28%	0.281	S	S	.	.	H	α-helix	trans	-91.7	-25.8	177.5	55.9	0	0	0	0	113.1	T574 Q575 L576 R587	T574-S578 WeakPolarHBondContact O-CB 3.49Å; T574-S578 PolarHBondContact O-N 3.32Å; T574-S578 PolarHBondContact O-OG 2.95Å; Q575-S578 WeakPolarHBondContact CA-OG 3.38Å; Q575-S578 PolarHBondContact O-N 2.74Å; Q575-S578 PolarHBondContact O-OG 3.3Å; L576-S578 PolarHBondContact O-N 2.72Å; S578-R587 PolarHBondContact O-NH2 3.37Å
579	S	95.3	Very high	95.1	Very high	68 Å²	68	58.2 Å²	58.2	48%	0.476	34%	0.343	S	S	.	.	H	α-helix	trans	-116.1	-23.1	-170.2	-52.1	0	0	0	0	114.2	Q575 L576	Q575-S579 VanDerWaalsContact O-CB 3.27Å; Q575-S579 WeakPolarHBondContact O-CB 3.44Å; Q575-S579 PolarHBondContact O-N 3.45Å; Q575-S579 PolarHBondContact O-OG 3.03Å; Q575-S579 VanDerWaalsContact O-OG 3.12Å; L576-S579 PolarHBondContact O-N 3.36Å
580	S	95.6	Very high	95.4	Very high	10 Å²	10	54 Å²	54	7%	0.07	32%	0.322	C	S	.	.			trans	-81.6	130.2	179.6	176.5	0	0	0	0	111.9	Y570 L576 Y582 F583	Y570-S580 WeakPolarHBondContact OH-CB 3.3Å; L576-S580 WeakPolarHBondContact O-CB 3.21Å; L576-S580 PolarHBondContact O-N 3Å; S580-Y582 PolarHBondContact O-N 3.4Å; S580-Y582 WeakPolarHBondContact OG-CB 3.49Å; S580-Y582 PolarHBondContact OG-N 2.99Å; S580-F583 PolarHBondContact O-N 3.3Å; S580-F583 VanDerWaalsContact O-N 3.08Å
581	F	94.3	Very high	95.4	Very high	174 Å²	174	54.5 Å²	54.5	76%	0.763	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-55.9	-23.2	173.7	-64.2	-72.6	0	0	0	113.2	F583 D584	F581-F583 PolarHBondContact O-N 3.49Å; F581-D584 WeakPolarHBondContact CD1-OD2 3.33Å; F581-D584 PolarHBondContact O-N 3.06Å
582	Y	96.2	Very high	95.4	Very high	22 Å²	22	51.5 Å²	51.5	9%	0.086	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-56.3	-33.2	176.2	-171.4	-88.8	0	0	0	112.4	R412 I415 E416 E557 L561 S580	R412-Y582 WeakPolarHBondContact CG-OH 3.46Å; I415-Y582 HydrophobicContact CG2-CE1 4.25Å; E416-Y582 HydrophobicContact CG-CE1 3.89Å; E557-Y582 HydrophobicContact CB-CD2 4.37Å; E557-Y582 HydrophobicContact CB-CE2 4.17Å; L561-Y582 HydrophobicContact CB-CD2 3.94Å; L561-Y582 HydrophobicContact CB-CE2 4.23Å; L561-Y582 HydrophobicContact CB-CG 4.4Å; L561-Y582 HydrophobicContact CD1-CG 4.41Å; L561-Y582 HydrophobicContact CD2-CD1 3.68Å; L561-Y582 HydrophobicContact CD2-CD2 3.9Å; L561-Y582 HydrophobicContact CD2-CE1 3.79Å; L561-Y582 HydrophobicContact CD2-CE2 4.01Å; L561-Y582 HydrophobicContact CD2-CG 3.73Å; L561-Y582 HydrophobicContact CG-CD2 4.41Å; L561-Y582 HydrophobicContact CG-CG 4.41Å; S580-Y582 PolarHBondContact O-N 3.4Å; S580-Y582 WeakPolarHBondContact OG-CB 3.49Å; S580-Y582 PolarHBondContact OG-N 2.99Å
583	F	97.3	Very high	95.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	33%	0.327	C	S	.	.	G	3₁₀ helix	trans	-99.1	4.4	-175.7	-61.6	-86.7	0	0	0	113.8	E416 A419 L561 L576 V577 S580 F581 S585 C586 R587	E416-F583 HydrophobicContact CG-CE1 4.45Å; A419-F583 HydrophobicContact CB-CE1 3.67Å; A419-F583 HydrophobicContact CB-CZ 3.54Å; L561-F583 HydrophobicContact CD1-CE2 4.48Å; L561-F583 HydrophobicContact CD2-CE2 4.32Å; L561-F583 HydrophobicContact CD2-CZ 4.36Å; L576-F583 HydrophobicContact CD2-CE2 4.14Å; L576-F583 HydrophobicContact CD2-CZ 4.4Å; L576-F583 HydrophobicContact CG-CE2 3.9Å; V577-F583 HydrophobicContact CB-CD1 4.36Å; V577-F583 HydrophobicContact CB-CD2 4.43Å; V577-F583 HydrophobicContact CB-CG 4.21Å; V577-F583 HydrophobicContact CG1-CD1 4.02Å; V577-F583 HydrophobicContact CG1-CD2 4.34Å; V577-F583 HydrophobicContact CG1-CE1 3.91Å; V577-F583 HydrophobicContact CG1-CE2 4.27Å; V577-F583 HydrophobicContact CG1-CG 4.23Å; V577-F583 HydrophobicContact CG1-CZ 4.05Å; S580-F583 PolarHBondContact O-N 3.3Å; S580-F583 VanDerWaalsContact O-N 3.08Å; F581-F583 PolarHBondContact O-N 3.49Å; F583-S585 VanDerWaalsContact C-N 3.3Å; F583-S585 PolarHBondContact O-N 3.03Å; F583-C586 VanDerWaalsContact O-CB 3.31Å; F583-C586 WeakPolarHBondContact O-CB 3.15Å; F583-C586 PolarHBondContact O-N 3.29Å; F583-R587 PolarHBondContact O-N 3.1Å
584	D	95.5	Very high	95	Very high	74 Å²	74	56.7 Å²	56.7	40%	0.396	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-63.2	-38.6	-178.3	-79.5	-13.1	0	0	0	112	F581 C586 R587	F581-D584 WeakPolarHBondContact CD1-OD2 3.33Å; F581-D584 PolarHBondContact O-N 3.06Å; D584-C586 PolarHBondContact O-N 3.31Å; D584-R587 PolarHBondContact O-N 3.44Å; D584-R587 VanDerWaalsContact O-N 3.14Å
585	S	94.2	Very high	94.7	Very high	95 Å²	95	57.9 Å²	57.9	66%	0.664	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-62.5	-23.7	175.7	66.6	0	0	0	0	113.1	F583	F583-S585 VanDerWaalsContact C-N 3.3Å; F583-S585 PolarHBondContact O-N 3.03Å
586	C	97.4	Very high	94.5	Very high	4 Å²	4	57.8 Å²	57.8	3%	0.027	36%	0.36	C	S	.	.	G	3₁₀ helix	trans	-83.4	-21.5	179	-65.4	0	0	0	0	112.4	L420 Y460 A461 F583 D584	L420-C586 HydrophobicContact CD1-CB 4.25Å; Y460-C586 CarbonylContact C-O 3.54Å; Y460-C586 WeakPolarHBondContact CA-O 3.25Å; Y460-C586 WeakPolarHBondContact CB-O 3.48Å; Y460-C586 HydrophobicContact CD1-CB 4.09Å; A461-C586 PolarHBondContact N-O 3.18Å; A461-C586 WeakPolarHBondContact O-CA 3.28Å; F583-C586 VanDerWaalsContact O-CB 3.31Å; F583-C586 WeakPolarHBondContact O-CB 3.15Å; F583-C586 PolarHBondContact O-N 3.29Å; D584-C586 PolarHBondContact O-N 3.31Å
587	R	96.3	Very high	94.3	Very high	103 Å²	103	62.1 Å²	62.1	39%	0.389	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	132.1	-172.5	-167.5	174.2	-63.6	174.9	4.1	111.1	V458 Y460 S578 F583 D584	V458-R587 HydrophobicContact CG1-CG 4.25Å; Y460-R587 HydrophobicContact CD1-CB 4.26Å; Y460-R587 HydrophobicContact CE1-CB 4.28Å; Y460-R587 HydrophobicContact CE1-CG 4.43Å; S578-R587 PolarHBondContact O-NH2 3.37Å; F583-R587 PolarHBondContact O-N 3.1Å; D584-R587 PolarHBondContact O-N 3.44Å; D584-R587 VanDerWaalsContact O-N 3.14Å
588	I	92.2	Very high	94	Very high	63 Å²	63	67.3 Å²	67.3	32%	0.323	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	114	172.8	-51	174	0	0	0	107.2	S459 A461	S459-I588 PolarHBondContact O-N 3.18Å; A461-I588 HydrophobicContact CB-CD1 3.72Å; A461-I588 HydrophobicContact CB-CG1 4.06Å
589	G	76.6	Confident	93.7	Very high	144 Å²	144	68.8 Å²	68.8	100%	1.485	43%	0.425	S	S	*	.			trans	-67.9	0	175.2	0	0	0	0	0	114

Retrieved 589 of 589 residues in 164 ms (Link to these results)

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