A0A024QYR6_HUMAN Loading...

Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN

AlphaFold DB , UniProt , Accession A0A024QYR6, Species HUMAN (Homo sapiens, Human), Gene PTEN, Length 576 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.4	Very low	34.4	Very low	229 Å²	229	137.3 Å²	137.3	100%	1.128	87%	0.871	S	S	*	*				0	160.4	0	-75.5	123.2	165.8	0	0	108.6
2	E	37.8	Very low	34.2	Very low	177 Å²	177	134.4 Å²	134.4	83%	0.827	87%	0.87	S	S	*	*			trans	19.6	109.3	155.2	-69.7	157.5	162	0	0	116.6
3	R	37.3	Very low	34	Very low	249 Å²	249	132.7 Å²	132.7	94%	0.94	87%	0.874	S	S	*	*				44.6	133.5	55.5	-59.9	-166.1	-175.6	-156.3	4.1	112.8
4	G	34.4	Very low	33.9	Very low	81 Å²	81	130.7 Å²	130.7	84%	0.835	87%	0.873	S	S	*	*			cis	167.7	150.9	1.7	0	0	0	0	0	108.5
5	G	37.2	Very low	34	Very low	77 Å²	77	129.1 Å²	129.1	79%	0.794	87%	0.874	S	S	*	*			trans	-101.1	179.9	-164.4	0	0	0	0	0	117.5
6	E	37.1	Very low	33.8	Very low	195 Å²	195	127.5 Å²	127.5	91%	0.911	87%	0.873	S	S	*	*			trans	74.2	114.3	158.3	-62.4	-163.7	115.3	0	0	122
7	A	34.4	Very low	33.9	Very low	95 Å²	95	125.6 Å²	125.6	79%	0.785	87%	0.868	S	S	*	*				92.6	134	123.7	0	0	0	0	0	122.5
8	A	31	Very low	34.8	Very low	102 Å²	102	126.1 Å²	126.1	84%	0.843	87%	0.868	S	S	*	*			trans	60.1	124.9	153.7	0	0	0	0	0	120.7
9	A	29.9	Very low	34.6	Very low	95 Å²	95	123.5 Å²	123.5	79%	0.785	86%	0.864	S	S	*	*				174.1	159.3	99.2	0	0	0	0	0	114.2
10	A	31.4	Very low	34.6	Very low	101 Å²	101	130.5 Å²	130.5	84%	0.835	87%	0.871	S	S	*	*			trans	47.1	121.6	148.4	0	0	0	0	0	121.5
11	A	30.6	Very low	34.5	Very low	109 Å²	109	127.8 Å²	127.8	90%	0.901	87%	0.866	S	S	*	*			trans	-107.3	125.2	149.1	0	0	0	0	0	109.1
12	A	31.8	Very low	34.2	Very low	103 Å²	103	122.1 Å²	122.1	85%	0.851	85%	0.849	S	S	*	*			trans	-137.5	133	174.4	0	0	0	0	0	109.3
13	A	31.9	Very low	34	Very low	112 Å²	112	121.9 Å²	121.9	93%	0.926	85%	0.848	S	S	*	*			trans	-105.5	127	178.7	0	0	0	0	0	110.1
14	A	31.9	Very low	33.7	Very low	105 Å²	105	115.5 Å²	115.5	87%	0.868	84%	0.841	S	S	*	*			trans	-116.3	159.1	177.5	0	0	0	0	0	110.8
15	A	35.4	Very low	34.9	Very low	106 Å²	106	117.4 Å²	117.4	88%	0.876	84%	0.838	S	S	*	*			trans	-83.6	160.4	-174	0	0	0	0	0	113.9
16	A	31.3	Very low	34.6	Very low	104 Å²	104	120.7 Å²	120.7	86%	0.86	84%	0.843	S	S	*	*			trans	-139.6	155.2	166	0	0	0	0	0	110.8
17	A	35.3	Very low	34.3	Very low	96 Å²	96	116.5 Å²	116.5	79%	0.793	83%	0.831	S	S	*	*			trans	-86.9	-171.3	-175.8	0	0	0	0	0	111.5
18	P	49.8	Very low	34.1	Very low	133 Å²	133	119.4 Å²	119.4	86%	0.864	83%	0.831	S	S	*	*			cis	-144.6	177.3	43.2	41.6	-21.1	0	0	0	117.5
19	G	31.5	Very low	33.9	Very low	78 Å²	78	120.2 Å²	120.2	80%	0.804	83%	0.831	S	S	*	*			trans	168.2	117	165	0	0	0	0	0	113
20	R	35.3	Very low	34.3	Very low	263 Å²	263	127.8 Å²	127.8	99%	0.992	84%	0.839	S	S	*	*			trans	-145.7	143.2	178.3	-118.1	-168.1	-177.3	-156.8	2.9	110.9
21	G	31.3	Very low	34.3	Very low	74 Å²	74	128 Å²	128	76%	0.763	84%	0.841	S	S	*	*			trans	119	141.9	177.5	0	0	0	0	0	112.1
22	S	31.8	Very low	34.2	Very low	110 Å²	110	125.9 Å²	125.9	77%	0.769	83%	0.83	S	S	*	*			cis	-159.1	154.6	-3.8	48.5	0	0	0	0	112
23	E	32.3	Very low	34.1	Very low	172 Å²	172	128.7 Å²	128.7	80%	0.804	83%	0.831	S	S	*	*			trans	57	105.5	154.4	-66.6	-174.8	148	0	0	122
24	S	32.7	Very low	34.1	Very low	115 Å²	115	128.1 Å²	128.1	80%	0.804	83%	0.826	S	S	*	*				76.6	155.2	114.6	-57.1	0	0	0	0	121.5
25	P	60	Low	33.9	Very low	120 Å²	120	126.6 Å²	126.6	78%	0.779	82%	0.82	S	S	*	*			trans	-121	171	-158.7	42.5	-30.2	0	0	0	115.3
26	V	29.5	Very low	33.6	Very low	146 Å²	146	130.8 Å²	130.8	89%	0.885	82%	0.822	S	S	*	*			trans	-156.9	159.4	139.5	123.4	0	0	0	0	113
27	T	30.2	Very low	33.8	Very low	108 Å²	108	133.8 Å²	133.8	66%	0.663	82%	0.823	S	S	*	*			trans	-80.6	152.6	-159.7	39.1	0	0	0	0	119.6
28	I	31	Very low	33.6	Very low	155 Å²	155	136 Å²	136	80%	0.795	83%	0.825	S	S	*	*			trans	69.2	123.7	137.2	-65.8	162.6	0	0	0	119.8
29	S	27.3	Very low	32.8	Very low	120 Å²	120	134.2 Å²	134.2	84%	0.839	82%	0.817	S	S	*	*				-168.7	165.7	120.1	42.2	0	0	0	0	111.8
30	R	38.3	Very low	33.2	Very low	254 Å²	254	136.9 Å²	136.9	96%	0.958	82%	0.819	S	S	*	*			trans	-144.2	117.7	-168.8	173.3	-173.5	174.4	-167.2	-0.8	111.1
31	A	30.7	Very low	33	Very low	104 Å²	104	132.1 Å²	132.1	86%	0.86	81%	0.813	S	S	*	*			trans	-157.6	159.9	168.7	0	0	0	0	0	108.8
32	G	29.6	Very low	33.1	Very low	65 Å²	65	136.5 Å²	136.5	67%	0.67	82%	0.818	S	S	*	*			cis	143.6	130.1	-3.1	0	0	0	0	0	111.2
33	N	29	Very low	33.2	Very low	163 Å²	163	139.1 Å²	139.1	87%	0.872	82%	0.822	S	S	*	*			trans	67.3	144.4	-172.9	-56.2	-11.8	0	0	0	114.8
34	A	30.9	Very low	33.3	Very low	100 Å²	100	136 Å²	136	83%	0.826	82%	0.818	S	S	*	*			cis	94.3	133.7	12.6	0	0	0	0	0	116.7
35	G	28.1	Very low	33.5	Very low	73 Å²	73	136.6 Å²	136.6	75%	0.753	82%	0.818	S	S	*	*			trans	88.1	146.6	-172.3	0	0	0	0	0	113.1
36	E	29.9	Very low	32.3	Very low	194 Å²	194	137.6 Å²	137.6	91%	0.907	82%	0.822	S	S	*	*			cis	-154.4	173.9	-6.1	-109.7	-173.8	125.4	0	0	110.5
37	L	34.7	Very low	32.4	Very low	167 Å²	167	142.2 Å²	142.2	87%	0.874	82%	0.824	S	S	*	*			trans	-79.9	137	176.3	-73.6	79.2	0	0	0	111.9
38	V	31	Very low	32.6	Very low	141 Å²	141	148.9 Å²	148.9	86%	0.855	84%	0.837	S	S	*	*			trans	-141.3	126	156.8	-173.2	0	0	0	0	110.4
39	S	32.9	Very low	32.7	Very low	97 Å²	97	153.1 Å²	153.1	68%	0.678	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-86.5	143.3	173.2	-55.8	0	0	0	0	111.7	L41	S39-L41 PolarHBondContact O-N 3.48Å
40	P	39.8	Very low	33	Very low	133 Å²	133	158.8 Å²	158.8	86%	0.864	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-65.2	130.9	164.3	-18.7	32.5	0	0	0	111.1
41	L	31.9	Very low	32.7	Very low	163 Å²	163	158.7 Å²	158.7	85%	0.853	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-80.1	160.2	-178.6	-82.8	138	0	0	0	113.3	S39	S39-L41 PolarHBondContact O-N 3.48Å
42	L	32.6	Very low	32.8	Very low	166 Å²	166	165.2 Å²	165.2	87%	0.869	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-60.2	140.3	169.2	-74	71.3	0	0	0	110.9
43	L	34.5	Very low	32.8	Very low	165 Å²	165	171.2 Å²	171.2	86%	0.864	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-91.4	134.4	162.4	-72.6	170	0	0	0	109.9
44	P	35.5	Very low	33.2	Very low	108 Å²	108	171.1 Å²	171.1	70%	0.701	86%	0.856	S	S	*	*	P	Polyproline II helix	trans	-78	153.4	-178.9	31.6	-35.3	0	0	0	112.7
45	P	36.9	Very low	33.2	Very low	126 Å²	126	175.4 Å²	175.4	82%	0.818	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-70.7	139.6	-176.5	28.4	-35.3	0	0	0	113.1
46	T	33.7	Very low	33.3	Very low	141 Å²	141	175.3 Å²	175.3	87%	0.865	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-76.8	135.3	179.8	47.4	0	0	0	0	112.2	R48	T46-R48 PolarHBondContact O-N 3.44Å
47	R	31.8	Very low	34	Very low	244 Å²	244	172.8 Å²	172.8	92%	0.921	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-69.1	120.4	-176.3	-77.3	176.8	164.9	173	-5.4	112.3	R49	R47-R49 PolarHBondContact O-N 3.16Å; R47-R49 VanDerWaalsContact O-N 3.16Å
48	R	34.2	Very low	33.9	Very low	248 Å²	248	168 Å²	168	94%	0.936	85%	0.85	S	S	*	*			trans	-53.6	115.2	163	-79.1	-179.6	168.2	174.9	-4.2	110.5	T46 R50	T46-R48 PolarHBondContact O-N 3.44Å; R48-R50 PolarHBondContact O-N 3.34Å
49	R	32.8	Very low	34.4	Very low	243 Å²	243	167.3 Å²	167.3	92%	0.917	85%	0.848	S	S	*	*			trans	-81.7	108	170.7	-99.7	-174.4	168.2	-173	-2.9	110.5	R47 R51	R47-R49 PolarHBondContact O-N 3.16Å; R47-R49 VanDerWaalsContact O-N 3.16Å; R49-R51 PolarHBondContact O-N 2.78Å
50	R	33.3	Very low	34.5	Very low	240 Å²	240	168.6 Å²	168.6	91%	0.906	85%	0.851	S	S	*	*			trans	-64	127.1	161.2	-72.9	178.8	168.8	176.3	-5.4	109.2	R48	R48-R50 PolarHBondContact O-N 3.34Å
51	R	32.1	Very low	34.2	Very low	251 Å²	251	170 Å²	170	95%	0.947	85%	0.851	S	S	*	*			trans	-84.7	140.3	156.1	-82	-174.8	167.9	-178.7	-3.4	108.6	R49	R49-R51 PolarHBondContact O-N 2.78Å
52	R	32.8	Very low	34.1	Very low	241 Å²	241	168.9 Å²	168.9	91%	0.909	85%	0.846	S	S	*	*			trans	-104.2	151.2	170.2	-81	-178.3	167.6	173.6	-4.7	109.1
53	H	31.2	Very low	34.2	Very low	191 Å²	191	168.5 Å²	168.5	88%	0.884	84%	0.844	S	S	*	*			trans	-67.6	153.5	167.8	-85	-80.6	0	0	0	112.2
54	I	36.3	Very low	34.7	Very low	162 Å²	162	166.7 Å²	166.7	83%	0.831	84%	0.842	S	S	*	*			trans	-134.2	142.3	155.9	-65	-177.8	0	0	0	106.5
55	Q	31.7	Very low	34.6	Very low	190 Å²	190	167 Å²	167	89%	0.888	85%	0.846	S	S	*	*			trans	-96.1	161.5	176.1	-62.7	160.2	-30.9	0	0	109
56	G	29.6	Very low	34.4	Very low	71 Å²	71	165.3 Å²	165.3	73%	0.732	84%	0.843	S	S	*	*			cis	-170.6	-141.6	1.9	0	0	0	0	0	105.9
57	P	44.7	Very low	34.4	Very low	140 Å²	140	163.4 Å²	163.4	91%	0.909	84%	0.842	S	S	*	*			cis	-110.6	-167.9	-15.6	41.3	-29.1	0	0	0	111.3
58	G	32.4	Very low	34.3	Very low	68 Å²	68	156.6 Å²	156.6	70%	0.701	84%	0.838	S	S	*	*			trans	-146.5	-172.4	170.1	0	0	0	0	0	111.9
59	P	42.7	Very low	34.3	Very low	126 Å²	126	149.1 Å²	149.1	82%	0.818	83%	0.829	S	S	*	*			trans	-112.4	115.9	173	34.6	-23.4	0	0	0	114
60	V	34.4	Very low	34.9	Very low	123 Å²	123	143.2 Å²	143.2	75%	0.745	82%	0.822	S	S	*	*			trans	21.4	124.3	135.2	-174.5	0	0	0	0	119.3
61	L	33.2	Very low	35.9	Very low	164 Å²	164	137.5 Å²	137.5	86%	0.859	82%	0.816	S	S	*	*				-159.8	167.3	119.9	-106.2	169.7	0	0	0	112.2
62	N	30.6	Very low	36.1	Very low	139 Å²	139	132.4 Å²	132.4	74%	0.743	81%	0.813	S	S	*	*			trans	-95	150.6	-150.4	-67.3	-26	0	0	0	116.8
63	L	33.7	Very low	36.2	Very low	158 Å²	158	125.2 Å²	125.2	83%	0.827	81%	0.805	S	S	*	*			trans	-76.2	163.8	154.1	-83.8	156.6	0	0	0	111.3
64	P	46	Very low	36.2	Very low	126 Å²	126	127.7 Å²	127.7	82%	0.818	81%	0.806	S	S	*	*				-123.9	179.4	117.3	36.9	-33.6	0	0	0	112.5
65	S	32.2	Very low	36.1	Very low	114 Å²	114	123.9 Å²	123.9	80%	0.797	80%	0.799	S	S	*	*			trans	-144.6	160.8	-166.7	-172.6	0	0	0	0	113.6
66	A	33.9	Very low	37	Very low	91 Å²	91	120.2 Å²	120.2	75%	0.752	79%	0.791	S	S	*	*			trans	83.4	134.2	153.2	0	0	0	0	0	121.8
67	A	31.7	Very low	37.1	Very low	101 Å²	101	125.8 Å²	125.8	84%	0.835	80%	0.799	S	S	*	*			trans	111.7	145.4	130.2	0	0	0	0	0	120.6
68	A	31.1	Very low	36.5	Very low	102 Å²	102	124 Å²	124	84%	0.843	80%	0.796	S	S	*	*			trans	79.6	122.6	158	0	0	0	0	0	121.5
69	A	33.7	Very low	36.5	Very low	90 Å²	90	125.7 Å²	125.7	74%	0.744	80%	0.803	S	S	*	*			trans	-93.3	-173.1	145.1	0	0	0	0	0	108
70	P	46.5	Very low	35.9	Very low	120 Å²	120	123.2 Å²	123.2	78%	0.779	80%	0.8	S	S	*	*			cis	-132.8	-139.6	12.7	37.8	-12	0	0	0	110.2
71	P	52.8	Low	35.7	Very low	120 Å²	120	121.5 Å²	121.5	78%	0.779	81%	0.807	S	S	*	*			cis	-134.8	-161.4	-12	40.7	-19.1	0	0	0	115.9
72	V	35.9	Very low	35.5	Very low	144 Å²	144	117 Å²	117	87%	0.873	80%	0.8	S	S	*	*			trans	-113.3	142.2	-172.8	173.8	0	0	0	0	112.8
73	A	35.5	Very low	35.5	Very low	90 Å²	90	115.9 Å²	115.9	74%	0.744	80%	0.803	S	S	*	*			trans	-175.8	160.4	152.5	0	0	0	0	0	109.2
74	R	30.7	Very low	35.3	Very low	243 Å²	243	119.7 Å²	119.7	92%	0.917	81%	0.807	S	S	*	*			cis	-158.4	159.1	4.7	-142.7	175.9	-173	153.4	-0.5	110
75	A	35	Very low	34.5	Very low	82 Å²	82	117.3 Å²	117.3	68%	0.678	79%	0.793	S	S	*	*			trans	-94.9	175.2	159.9	0	0	0	0	0	110.7
76	P	50.8	Low	34.4	Very low	112 Å²	112	119.7 Å²	119.7	73%	0.727	79%	0.792	S	S	*	*				-148.7	164.1	86	40.5	-23.8	0	0	0	117
77	E	32.6	Very low	34.3	Very low	189 Å²	189	122 Å²	122	88%	0.883	79%	0.792	S	S	*	*			trans	39.4	143.3	138.8	-60.4	-178.8	141.8	0	0	121.3
78	A	31.8	Very low	34.2	Very low	102 Å²	102	127.8 Å²	127.8	84%	0.843	79%	0.793	S	S	*	*			cis	-153.6	-173	45.2	0	0	0	0	0	116.1
79	A	32.3	Very low	34.1	Very low	104 Å²	104	127.3 Å²	127.3	86%	0.86	78%	0.784	S	S	*	*			trans	-62.1	165.6	-175.5	0	0	0	0	0	115.7
80	G	30.1	Very low	33.9	Very low	73 Å²	73	128.4 Å²	128.4	75%	0.753	79%	0.786	S	S	*	*			cis	143.4	146.5	-5	0	0	0	0	0	113.4
81	G	29.8	Very low	33.5	Very low	87 Å²	87	128.1 Å²	128.1	90%	0.897	79%	0.787	S	S	*	*			trans	77.2	153.7	-175.7	0	0	0	0	0	114.1
82	G	28.7	Very low	33.4	Very low	69 Å²	69	127.1 Å²	127.1	71%	0.711	78%	0.78	S	S	*	*			cis	164.4	137.9	-10.8	0	0	0	0	0	113.5
83	S	30.2	Very low	33.3	Very low	116 Å²	116	129 Å²	129	81%	0.811	78%	0.779	S	S	*	*			trans	63.3	122.6	156.5	-55.3	0	0	0	0	120.8
84	R	30.5	Very low	33.2	Very low	239 Å²	239	129.7 Å²	129.7	90%	0.902	78%	0.778	S	S	*	*			trans	66.4	161.9	143.8	-77.1	-175.2	162.4	162.6	-7.7	118.5
85	S	29.4	Very low	33.3	Very low	76 Å²	76	122.5 Å²	122.5	53%	0.531	77%	0.771	S	S	.	*			cis	-166.7	170.6	-30.2	49.1	0	0	0	0	109.1
86	E	30.6	Very low	33.2	Very low	164 Å²	164	123.2 Å²	123.2	77%	0.766	78%	0.777	S	S	*	*			trans	67.9	116.9	160.2	-72.6	147.7	-132.3	0	0	118.5
87	D	30.9	Very low	32.3	Very low	140 Å²	140	122.5 Å²	122.5	75%	0.749	78%	0.78	S	S	*	*				25.2	131.4	123.1	-50.8	-18.2	0	0	0	119.1
88	Y	29.2	Very low	32.2	Very low	222 Å²	222	118.1 Å²	118.1	87%	0.871	78%	0.776	S	S	*	*				-160.2	169.4	98.8	-124.7	-102	0	0	0	112.9
89	S	29.8	Very low	32.2	Very low	92 Å²	92	117.6 Å²	117.6	64%	0.643	77%	0.772	S	S	*	*			trans	-80.8	157.5	-178	58.3	0	0	0	0	113.6
90	S	29.8	Very low	32.2	Very low	112 Å²	112	124.1 Å²	124.1	78%	0.783	78%	0.775	S	S	*	*				166.7	132.4	109.2	48.5	0	0	0	0	114.1
91	S	37.8	Very low	33.2	Very low	114 Å²	114	125.3 Å²	125.3	80%	0.797	77%	0.769	S	S	*	*			trans	-83	159.5	147.3	-40.8	0	0	0	0	108.1
92	P	50.5	Low	33.3	Very low	100 Å²	100	129.2 Å²	129.2	65%	0.649	77%	0.769	S	S	*	*				-161.2	164	84.3	42.3	-22.7	0	0	0	119.1
93	H	33.9	Very low	33.4	Very low	184 Å²	184	130.6 Å²	130.6	85%	0.852	77%	0.773	S	S	*	*			trans	62	165.3	154.2	-61.3	-46.8	0	0	0	118.2
94	S	33.3	Very low	33.5	Very low	103 Å²	103	130 Å²	130	72%	0.72	78%	0.776	S	S	*	*			cis	-156.2	156.3	10.6	-154.7	0	0	0	0	113.8
95	A	32.9	Very low	33.6	Very low	93 Å²	93	126 Å²	126	77%	0.769	77%	0.767	S	S	*	*			trans	60.1	167.8	145.7	0	0	0	0	0	119.8
96	A	32.3	Very low	33.7	Very low	97 Å²	97	130.8 Å²	130.8	80%	0.802	78%	0.781	S	S	*	*			cis	-176.3	161.3	-28.5	0	0	0	0	0	107.7
97	A	32.9	Very low	33.7	Very low	96 Å²	96	131.7 Å²	131.7	79%	0.793	78%	0.782	S	S	*	*			cis	-168.8	-148.8	-22.4	0	0	0	0	0	107.8
98	A	30.4	Very low	33.7	Very low	97 Å²	97	133.5 Å²	133.5	80%	0.802	79%	0.787	S	S	*	*			trans	70	119.8	179.3	0	0	0	0	0	115.8
99	A	30.5	Very low	33.7	Very low	92 Å²	92	127.1 Å²	127.1	76%	0.76	78%	0.779	S	S	*	*			cis	104.3	116.8	34.6	0	0	0	0	0	111.2
100	R	32	Very low	33.7	Very low	240 Å²	240	131.3 Å²	131.3	91%	0.906	79%	0.789	S	S	*	*				75	157.5	66	-95.4	-169	174.2	-161.3	-0.6	113.6
101	P	51.9	Low	33.7	Very low	99 Å²	99	131.3 Å²	131.3	64%	0.643	79%	0.789	S	S	*	*			cis	-140	-165.7	0.8	26.8	-0.3	0	0	0	116
102	L	31.4	Very low	33.4	Very low	169 Å²	169	133.3 Å²	133.3	89%	0.885	79%	0.79	S	S	*	*			trans	90.3	148.1	156.9	-53.4	179	0	0	0	117.7
103	A	31.7	Very low	32.5	Very low	97 Å²	97	137.1 Å²	137.1	80%	0.802	80%	0.799	S	S	*	*			cis	-132.7	178.8	5.4	0	0	0	0	0	113
104	A	32.3	Very low	32.9	Very low	105 Å²	105	133.5 Å²	133.5	87%	0.868	79%	0.792	S	S	*	*			trans	-141.2	161.4	174.7	0	0	0	0	0	110.4
105	E	32.1	Very low	32.6	Very low	153 Å²	153	133.8 Å²	133.8	72%	0.715	79%	0.794	S	S	*	*			trans	-142.3	120.8	168.4	-157.5	-176.8	151.9	0	0	110.9	K107	E105-K107 VanDerWaalsContact OE1-CE 3.29Å; E105-K107 WeakPolarHBondContact OE1-CE 3.37Å; E105-K107 IonicContact OE1-NZ 2.75Å; E105-K107 PolarHBondContact OE1-NZ 3.16Å
106	E	31.3	Very low	32.5	Very low	177 Å²	177	134.6 Å²	134.6	83%	0.827	79%	0.794	S	S	*	*			trans	-98.4	150.6	166.1	-70.7	-178.7	94.7	0	0	109.8
107	K	30.4	Very low	32.4	Very low	183 Å²	183	135.8 Å²	135.8	80%	0.796	80%	0.796	S	S	*	*			trans	-135.9	135.7	158.1	-76.6	-173.6	167.9	125.9	0	110.7	E105	E105-K107 VanDerWaalsContact OE1-CE 3.29Å; E105-K107 WeakPolarHBondContact OE1-CE 3.37Å; E105-K107 IonicContact OE1-NZ 2.75Å; E105-K107 PolarHBondContact OE1-NZ 3.16Å
108	Q	30.4	Very low	32.4	Very low	179 Å²	179	143 Å²	143	84%	0.836	80%	0.803	S	S	*	*			trans	-142.8	152	-172.6	-164.9	-172.4	75.1	0	0	110.4
109	A	30.8	Very low	32.3	Very low	87 Å²	87	149.9 Å²	149.9	72%	0.719	81%	0.808	S	S	*	*			trans	68.8	158.1	174.7	0	0	0	0	0	114.6
110	Q	29	Very low	32.3	Very low	180 Å²	180	150.6 Å²	150.6	84%	0.841	81%	0.808	S	S	*	*			cis	-138.8	167.3	23.9	-68.4	175.4	-15.3	0	0	114.2
111	S	30	Very low	32.4	Very low	113 Å²	113	143.5 Å²	143.5	79%	0.79	80%	0.795	S	S	*	*			trans	-88.8	143.2	164.8	169.4	0	0	0	0	110.5
112	L	31.4	Very low	31.4	Very low	156 Å²	156	147 Å²	147	82%	0.817	80%	0.802	S	S	*	*			trans	-160.9	132.8	158.9	-110.3	168.7	0	0	0	112.8
113	Q	31.8	Very low	31.3	Very low	180 Å²	180	148.9 Å²	148.9	84%	0.841	80%	0.799	S	S	*	*			trans	-141.3	148.5	161.5	-106.6	-159.4	18.7	0	0	106.2
114	P	41.2	Very low	32.3	Very low	107 Å²	107	150 Å²	150	70%	0.695	80%	0.798	S	S	*	*				-157.6	-171.1	81.6	42	-21.6	0	0	0	117
115	S	28.2	Very low	32.3	Very low	109 Å²	109	148.9 Å²	148.9	76%	0.762	79%	0.789	S	S	*	*			trans	85.9	153.7	156.5	82.7	0	0	0	0	119.6
116	S	29.9	Very low	32.5	Very low	111 Å²	111	146 Å²	146	78%	0.776	79%	0.791	S	S	*	*			cis	-172.1	129	-40.1	55.2	0	0	0	0	112.8
117	S	31.6	Very low	32.4	Very low	121 Å²	121	144.1 Å²	144.1	85%	0.846	79%	0.791	S	S	*	*			trans	-175	158.9	156.9	54.7	0	0	0	0	111.6
118	R	31.3	Very low	32.6	Very low	248 Å²	248	144.1 Å²	144.1	94%	0.936	79%	0.794	S	S	*	*			cis	-179	103.4	-47.3	-123.9	-166.4	179.4	-156.6	2.7	108.2
119	R	29.8	Very low	32.6	Very low	242 Å²	242	140.1 Å²	140.1	91%	0.913	79%	0.786	S	S	*	*			trans	-177.3	122.5	153	-103.4	176.8	-178.6	-153	-1	106.3
120	S	31	Very low	32.6	Very low	107 Å²	107	144.9 Å²	144.9	75%	0.748	79%	0.793	S	S	*	*			cis	69.3	117.6	49.8	-150.6	0	0	0	0	111.3
121	S	32.4	Very low	32.7	Very low	90 Å²	90	140.6 Å²	140.6	63%	0.629	79%	0.789	S	S	*	*			cis	-140.4	-166.2	9.9	-51.1	0	0	0	0	110.4
122	H	31.9	Very low	32.7	Very low	172 Å²	172	139.8 Å²	139.8	80%	0.796	79%	0.789	S	S	*	*			cis	-152.6	-157.7	11.3	-120.4	-45.5	0	0	0	111.6
123	Y	28.6	Very low	32.7	Very low	210 Å²	210	136.9 Å²	136.9	82%	0.824	79%	0.787	S	S	*	*			trans	-150.1	-179.8	-177.5	-96.4	-68	0	0	0	109.3	A125	Y123-A125 HydrophobicContact CD1-CB 4.22Å
124	P	52.3	Low	32.6	Very low	119 Å²	119	137.8 Å²	137.8	77%	0.773	79%	0.791	S	S	*	*			cis	-117.6	172.8	12.6	32.4	-11	0	0	0	114.1
125	A	33.7	Very low	32.3	Very low	82 Å²	82	144.9 Å²	144.9	68%	0.678	80%	0.804	S	S	*	*			cis	80.6	144.1	28.8	0	0	0	0	0	115.5	Y123	Y123-A125 HydrophobicContact CD1-CB 4.22Å
126	A	35	Very low	32.2	Very low	92 Å²	92	143.4 Å²	143.4	76%	0.76	81%	0.807	S	S	*	*			cis	-123.9	-136.5	-2.1	0	0	0	0	0	111.4
127	V	30.8	Very low	32.3	Very low	138 Å²	138	143.2 Å²	143.2	84%	0.836	81%	0.812	S	S	*	*			cis	-142.6	-139.8	12.3	-150.5	0	0	0	0	111.3
128	Q	32.9	Very low	32.3	Very low	184 Å²	184	143.5 Å²	143.5	86%	0.86	81%	0.814	S	S	*	*			trans	-140.7	-175.3	-176.3	-58.1	163	-43.9	0	0	108.6
129	S	31.1	Very low	32.4	Very low	95 Å²	95	135.6 Å²	135.6	66%	0.664	80%	0.801	S	S	*	*			cis	-164.1	166.1	16	54.6	0	0	0	0	113.2
130	Q	30.3	Very low	32.4	Very low	187 Å²	187	130.9 Å²	130.9	87%	0.874	80%	0.799	S	S	*	*			trans	33.3	155.8	137.7	-69.3	170.5	-25.5	0	0	123.3
131	A	31.8	Very low	32.5	Very low	90 Å²	90	129.8 Å²	129.8	74%	0.744	80%	0.797	S	S	*	*			cis	-174.9	-178.1	-13.5	0	0	0	0	0	111.3
132	A	29.6	Very low	32.4	Very low	96 Å²	96	135.5 Å²	135.5	79%	0.793	81%	0.81	S	S	*	*			trans	68.5	146.2	171.6	0	0	0	0	0	117.2
133	A	32.2	Very low	32.2	Very low	94 Å²	94	132.3 Å²	132.3	78%	0.777	81%	0.808	S	S	*	*			cis	80.7	140.3	32.9	0	0	0	0	0	113.5
134	E	29.9	Very low	32.4	Very low	199 Å²	199	133.8 Å²	133.8	93%	0.93	81%	0.812	S	S	*	*			cis	-137.6	-149.3	20.8	-62.8	-168.9	95.5	0	0	115.5
135	R	33.4	Very low	31.4	Very low	256 Å²	256	131.9 Å²	131.9	97%	0.966	81%	0.806	S	S	*	*			trans	-102.1	162.6	-173.1	-56.6	169.2	176.9	155.3	-3.1	113
136	G	27	Very low	31.3	Very low	79 Å²	79	135.5 Å²	135.5	81%	0.814	81%	0.812	S	S	*	*			trans	-171.4	151.2	163.9	0	0	0	0	0	112.9
137	A	32.4	Very low	31	Very low	107 Å²	107	136.8 Å²	136.8	88%	0.884	82%	0.816	S	S	*	*			trans	-155.1	156	-175.5	0	0	0	0	0	113.3
138	S	30.4	Very low	31.1	Very low	127 Å²	127	137.7 Å²	137.7	89%	0.888	81%	0.814	S	S	*	*			trans	-169.9	174.4	147.5	-154.6	0	0	0	0	113.9
139	A	34.7	Very low	31	Very low	81 Å²	81	136.8 Å²	136.8	67%	0.669	82%	0.815	S	S	*	*			trans	-81.2	-170.1	-175	0	0	0	0	0	113.2
140	T	30	Very low	31	Very low	143 Å²	143	140.2 Å²	140.2	88%	0.877	82%	0.82	S	S	*	*			cis	-161.7	-177.1	36.6	-29.4	0	0	0	0	112.3
141	A	31.6	Very low	30.9	Very low	85 Å²	85	141.2 Å²	141.2	70%	0.702	82%	0.822	S	S	*	*			trans	-130	-175.6	-163.7	0	0	0	0	0	115.8
142	K	31.1	Very low	30.7	Very low	209 Å²	209	146.5 Å²	146.5	91%	0.909	83%	0.828	S	S	*	*			trans	120.2	158.3	169.2	-69.8	160.8	-175.3	175.3	0	113
143	S	28.3	Very low	31.2	Very low	105 Å²	105	147.2 Å²	147.2	73%	0.734	82%	0.824	S	S	*	*			cis	-178.5	169.9	-32.3	-167.3	0	0	0	0	109.9
144	R	32.8	Very low	31.2	Very low	241 Å²	241	154 Å²	154	91%	0.909	83%	0.83	S	S	*	*			trans	70.9	160.9	169.2	-65.6	-179.6	169.4	-176.9	-4.4	118.5
145	A	31.4	Very low	31.2	Very low	79 Å²	79	152.2 Å²	152.2	65%	0.653	82%	0.821	S	S	*	*			cis	-171.5	145.4	-31.9	0	0	0	0	0	113
146	I	30.3	Very low	31	Very low	159 Å²	159	148.5 Å²	148.5	82%	0.815	82%	0.815	S	S	*	*			trans	38	123.7	139.9	-53.7	167.6	0	0	0	120.6
147	S	29.3	Very low	31.1	Very low	119 Å²	119	152.2 Å²	152.2	83%	0.832	81%	0.811	S	S	*	*				-177.7	172.5	120.8	46.2	0	0	0	0	113.3
148	I	33.1	Very low	31	Very low	157 Å²	157	155.1 Å²	155.1	81%	0.805	81%	0.811	S	S	*	*			trans	-136.8	143.4	-166.2	-61.3	162.3	0	0	0	109.3
149	L	30.6	Very low	30.9	Very low	165 Å²	165	156.7 Å²	156.7	86%	0.864	81%	0.808	S	S	*	*			trans	-167.4	166.9	144.2	-109.7	162.2	0	0	0	113.9
150	Q	31.9	Very low	31	Very low	166 Å²	166	158.1 Å²	158.1	78%	0.776	81%	0.811	S	S	*	*			trans	-110.2	155.4	-167.3	-53.7	159.2	-42.7	0	0	112.6
151	K	28.2	Very low	31.2	Very low	209 Å²	209	156.7 Å²	156.7	91%	0.909	81%	0.807	S	S	*	*				-176.4	149.3	126.4	-98.8	156.3	-172.7	178.8	0	114
152	K	27.2	Very low	31.1	Very low	200 Å²	200	161 Å²	161	87%	0.87	82%	0.817	S	S	*	*			trans	-117.6	176.1	166.5	-98.8	-176.1	178.2	179.1	0	107.8
153	P	40.1	Very low	31.1	Very low	111 Å²	111	156 Å²	156	72%	0.721	81%	0.808	S	S	*	*			cis	-118.5	-140.6	8.8	29.5	-4.3	0	0	0	110.6
154	R	30.9	Very low	31.5	Very low	237 Å²	237	156 Å²	156	89%	0.894	81%	0.808	S	S	*	*			cis	-166.1	153.4	2.1	-148.6	170.2	-168	-176.5	3.7	108.2
155	H	30.7	Very low	31.7	Very low	161 Å²	161	153.4 Å²	153.4	75%	0.745	80%	0.804	S	S	*	*			cis	-170.2	110.9	-35.9	173.2	-78.8	0	0	0	110.2
156	Q	28.7	Very low	31.7	Very low	179 Å²	179	159.7 Å²	159.7	84%	0.836	82%	0.817	S	S	*	*			trans	-137.6	110.6	166	-98.1	173.6	-25.7	0	0	108
157	Q	30.3	Very low	31.7	Very low	156 Å²	156	160.4 Å²	160.4	73%	0.729	81%	0.814	S	S	*	*				77.2	89.8	89.1	-81.5	-168.7	-22.1	0	0	114.7
158	L	29.9	Very low	31.8	Very low	169 Å²	169	160.3 Å²	160.3	89%	0.885	81%	0.814	S	S	*	*				-175.9	151.2	112.7	-95.2	159.4	0	0	0	110.9
159	L	28.8	Very low	31.8	Very low	160 Å²	160	160.3 Å²	160.3	84%	0.838	81%	0.81	S	S	*	*			trans	-159	164.4	-174.4	-80.4	179.6	0	0	0	108.9
160	P	35	Very low	32.1	Very low	111 Å²	111	163.3 Å²	163.3	72%	0.721	81%	0.81	S	S	*	*			cis	-126.1	-175.9	-16.9	34.5	-16.2	0	0	0	112.7
161	S	35.8	Very low	32.3	Very low	113 Å²	113	163 Å²	163	79%	0.79	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-70.5	140.8	171	53.5	0	0	0	0	113.6
162	L	29.4	Very low	32.9	Very low	176 Å²	176	157.4 Å²	157.4	92%	0.921	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-89.3	131.6	160.7	-74.3	172.3	0	0	0	110.7
163	S	31.2	Very low	34.2	Very low	104 Å²	104	152.2 Å²	152.2	73%	0.727	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-91.9	164.8	163.5	54.2	0	0	0	0	110.5
164	S	35	Very low	34.4	Very low	105 Å²	105	153.4 Å²	153.4	73%	0.734	78%	0.777	S	S	*	*			trans	56.1	99.3	177.7	61.3	0	0	0	0	117
165	F	37	Very low	35.4	Very low	185 Å²	185	144.3 Å²	144.3	81%	0.811	75%	0.748	S	S	*	*				-179.5	90.7	110.9	-119.9	-93.4	0	0	0	111.5
166	F	32	Very low	36.5	Very low	212 Å²	212	138.5 Å²	138.5	93%	0.93	73%	0.728	S	S	*	*			trans	-143.9	151.8	161.4	-83.1	-67.1	0	0	0	111
167	F	31.5	Very low	37.8	Very low	173 Å²	173	133.2 Å²	133.2	76%	0.759	70%	0.704	S	S	*	*			trans	-68.5	145.6	-158.7	-89.5	-115.2	0	0	0	114.6	H169	F167-H169 PolarHBondContact O-N 3.28Å
168	S	31.3	Very low	39	Very low	117 Å²	117	129 Å²	129	82%	0.818	69%	0.687	S	S	*	*			trans	-74.2	73.9	164.3	-167.7	0	0	0	0	110.4	R170	S168-R170 PolarHBondContact O-N 3.41Å; S168-R170 VanDerWaalsContact O-N 3.1Å
169	H	31.9	Very low	40.2	Very low	157 Å²	157	122.4 Å²	122.4	73%	0.727	65%	0.651	S	S	*	*			trans	-73.2	96.6	162.9	-75.1	-76	0	0	0	108.4	F167 L171	F167-H169 PolarHBondContact O-N 3.28Å; H169-L171 PolarHBondContact O-N 3.37Å; H169-L171 VanDerWaalsContact O-N 3.09Å
170	R	36.7	Very low	41.4	Very low	228 Å²	228	119.4 Å²	119.4	86%	0.86	63%	0.632	S	S	*	*			trans	-56.1	115.2	159.2	-73.8	-176.7	177.2	177.2	-1.2	107.3	S168	S168-R170 PolarHBondContact O-N 3.41Å; S168-R170 VanDerWaalsContact O-N 3.1Å
171	L	35.9	Very low	42.2	Very low	159 Å²	159	119.4 Å²	119.4	83%	0.832	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-55.8	131.2	158.3	-69.5	169.1	0	0	0	106.9	H169 D173	H169-L171 PolarHBondContact O-N 3.37Å; H169-L171 VanDerWaalsContact O-N 3.09Å; L171-D173 PolarHBondContact O-N 3.19Å
172	P	42.4	Very low	43.2	Very low	93 Å²	93	116.9 Å²	116.9	60%	0.604	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-61.9	132.9	174.9	27.6	-34.1	0	0	0	108.3	M174 I177	P172-M174 PolarHBondContact O-N 2.73Å; P172-M174 VanDerWaalsContact O-N 3.12Å; P172-I177 HydrophobicContact CB-CD1 4.05Å; P172-I177 HydrophobicContact CG-CD1 4.03Å
173	D	53.2	Low	44.4	Very low	91 Å²	91	108.7 Å²	108.7	49%	0.487	56%	0.562	S	S	.	*	P	Polyproline II helix	trans	-62.1	117.9	-178.4	172.4	21.2	0	0	0	109.7	L171 T175 A176 I177	L171-D173 PolarHBondContact O-N 3.19Å; D173-T175 PolarHBondContact O-N 3.36Å; D173-T175 VanDerWaalsContact O-N 3.14Å; D173-T175 WeakPolarHBondContact OD1-CB 3.32Å; D173-T175 PolarHBondContact OD1-N 2.97Å; D173-T175 PolarHBondContact OD1-OG1 2.76Å; D173-T175 VanDerWaalsContact OD2-CB 3.29Å; D173-T175 WeakPolarHBondContact OD2-CB 3.24Å; D173-T175 PolarHBondContact OD2-OG1 3.07Å; D173-A176 HydrophobicContact CB-CB 4.05Å; D173-A176 WeakPolarHBondContact O-CA 3.41Å; D173-A176 WeakPolarHBondContact O-CB 3.5Å; D173-A176 PolarHBondContact O-N 3.02Å; D173-A176 PolarHBondContact OD2-N 3.17Å; D173-I177 PolarHBondContact O-N 2.89Å
174	M	43.9	Very low	46	Very low	136 Å²	136	111.6 Å²	111.6	67%	0.67	56%	0.557	S	S	*	*	H	α-helix	trans	-55.3	-31.6	177.3	-64.7	-67.4	-72	0	0	111.3	P172 I177 I178	P172-M174 PolarHBondContact O-N 2.73Å; P172-M174 VanDerWaalsContact O-N 3.12Å; M174-I177 PolarHBondContact O-N 2.86Å; M174-I177 HydrophobicContact SD-CD1 4.33Å; M174-I178 WeakPolarHBondContact O-CB 3.44Å; M174-I178 WeakPolarHBondContact O-CD1 3.39Å; M174-I178 WeakPolarHBondContact O-CG1 3.3Å; M174-I178 PolarHBondContact O-N 2.77Å
175	T	52	Low	47.5	Very low	45 Å²	45	110.4 Å²	110.4	28%	0.276	54%	0.543	S	S	.	.	H	α-helix	trans	-65.7	-43.3	175.4	-32.3	0	0	0	0	111.4	D173 K179 V218	D173-T175 PolarHBondContact O-N 3.36Å; D173-T175 VanDerWaalsContact O-N 3.14Å; D173-T175 WeakPolarHBondContact OD1-CB 3.32Å; D173-T175 PolarHBondContact OD1-N 2.97Å; D173-T175 PolarHBondContact OD1-OG1 2.76Å; D173-T175 VanDerWaalsContact OD2-CB 3.29Å; D173-T175 WeakPolarHBondContact OD2-CB 3.24Å; D173-T175 PolarHBondContact OD2-OG1 3.07Å; T175-K179 HydrophobicContact CG2-CD 4.42Å; T175-K179 WeakPolarHBondContact O-CB 3.11Å; T175-K179 VanDerWaalsContact O-CG 3.25Å; T175-K179 WeakPolarHBondContact O-CG 3.4Å; T175-K179 PolarHBondContact O-N 2.66Å; T175-V218 HydrophobicContact CG2-CG1 4.09Å; T175-V218 VanDerWaalsContact CG2-O 3.3Å; T175-V218 WeakPolarHBondContact CG2-O 3.12Å
176	A	55.2	Low	49.4	Very low	40 Å²	40	102.2 Å²	102.2	33%	0.331	51%	0.507	S	S	.	.	H	α-helix	trans	-65.7	-42.3	175.5	0	0	0	0	0	112	D173 I178 K179 E180	D173-A176 HydrophobicContact CB-CB 4.05Å; D173-A176 WeakPolarHBondContact O-CA 3.41Å; D173-A176 WeakPolarHBondContact O-CB 3.5Å; D173-A176 PolarHBondContact O-N 3.02Å; D173-A176 PolarHBondContact OD2-N 3.17Å; A176-I178 PolarHBondContact O-N 2.77Å; A176-K179 PolarHBondContact O-N 3.2Å; A176-E180 PolarHBondContact O-N 3.34Å
177	I	55.1	Low	51.6	Low	67 Å²	67	97.8 Å²	97.8	34%	0.344	48%	0.484	S	S	.	.	H	α-helix	trans	-59.2	-48.8	175.7	-63.1	171.5	0	0	0	110.6	P172 D173 M174 K179 E180 I181	P172-I177 HydrophobicContact CB-CD1 4.05Å; P172-I177 HydrophobicContact CG-CD1 4.03Å; D173-I177 PolarHBondContact O-N 2.89Å; M174-I177 PolarHBondContact O-N 2.86Å; M174-I177 HydrophobicContact SD-CD1 4.33Å; I177-K179 PolarHBondContact O-N 2.67Å; I177-E180 PolarHBondContact O-N 3.23Å; I177-I181 HydrophobicContact CG2-CD1 3.88Å; I177-I181 VanDerWaalsContact O-CG1 3.31Å; I177-I181 WeakPolarHBondContact O-CG1 3.46Å; I177-I181 PolarHBondContact O-N 3.09Å
178	I	56.3	Low	54.2	Low	69 Å²	69	91 Å²	91	35%	0.354	45%	0.453	S	S	.	.	H	α-helix	trans	-62.7	-42.4	178.7	-69.7	165.2	0	0	0	110.9	M174 A176 I181 V182 Y219	M174-I178 WeakPolarHBondContact O-CB 3.44Å; M174-I178 WeakPolarHBondContact O-CD1 3.39Å; M174-I178 WeakPolarHBondContact O-CG1 3.3Å; M174-I178 PolarHBondContact O-N 2.77Å; A176-I178 PolarHBondContact O-N 2.77Å; I178-I181 PolarHBondContact O-N 3.09Å; I178-V182 WeakPolarHBondContact O-CG2 3.31Å; I178-V182 PolarHBondContact O-N 3.22Å; I178-Y219 VanDerWaalsContact CG2-CB 3.45Å
179	K	55	Low	56.7	Low	30 Å²	30	86.3 Å²	86.3	13%	0.13	42%	0.418	C	S	.	.	H	α-helix	trans	-63.6	-38.8	175.5	-77.4	173.2	179.2	-179.3	0	112.5	T175 A176 I177 V182 S183 R188 G217 V218 R220	T175-K179 HydrophobicContact CG2-CD 4.42Å; T175-K179 WeakPolarHBondContact O-CB 3.11Å; T175-K179 VanDerWaalsContact O-CG 3.25Å; T175-K179 WeakPolarHBondContact O-CG 3.4Å; T175-K179 PolarHBondContact O-N 2.66Å; A176-K179 PolarHBondContact O-N 3.2Å; I177-K179 PolarHBondContact O-N 2.67Å; K179-V182 PolarHBondContact O-N 3.37Å; K179-S183 PolarHBondContact O-N 3.28Å; K179-S183 PolarHBondContact O-OG 2.9Å; K179-R188 PolarHBondContact O-NH1 3.45Å; K179-G217 WeakPolarHBondContact CE-O 3.44Å; K179-G217 PolarHBondContact NZ-O 2.84Å; K179-V218 VanDerWaalsContact CE-O 3.32Å; K179-V218 WeakPolarHBondContact CE-O 3.4Å; K179-V218 WeakPolarHBondContact CG-O 3.3Å; K179-R220 VanDerWaalsContact CE-O 3.32Å; K179-R220 WeakPolarHBondContact CE-O 3.28Å
180	E	54.5	Low	59.1	Low	97 Å²	97	84.3 Å²	84.3	45%	0.453	41%	0.408	S	S	.	.	H	α-helix	trans	-63.7	-48.4	175.8	-176	160.5	-147.2	0	0	111	A176 I177 V182 S183 R184 R334	A176-E180 PolarHBondContact O-N 3.34Å; I177-E180 PolarHBondContact O-N 3.23Å; E180-V182 VanDerWaalsContact C-N 3.26Å; E180-V182 PolarHBondContact O-N 2.94Å; E180-S183 WeakPolarHBondContact CA-OG 3.27Å; E180-S183 CarbonylContact O-C 3.59Å; E180-S183 PolarHBondContact O-N 2.85Å; E180-S183 PolarHBondContact O-OG 3.47Å; E180-R184 PolarHBondContact O-N 2.9Å; E180-R334 IonicContact OE1-NH1 2.78Å
181	I	50.5	Low	61.2	Low	111 Å²	111	78.8 Å²	78.8	57%	0.569	39%	0.392	S	S	*	.	H	α-helix	trans	-55.9	-38.7	175.9	-68.6	165.7	0	0	0	111.7	I177 I178 R184	I177-I181 HydrophobicContact CG2-CD1 3.88Å; I177-I181 VanDerWaalsContact O-CG1 3.31Å; I177-I181 WeakPolarHBondContact O-CG1 3.46Å; I177-I181 PolarHBondContact O-N 3.09Å; I178-I181 PolarHBondContact O-N 3.09Å; I181-R184 WeakPolarHBondContact O-CG 3.25Å; I181-R184 PolarHBondContact O-N 2.81Å
182	V	57.2	Low	63.3	Low	60 Å²	60	76.7 Å²	76.7	36%	0.364	38%	0.382	S	S	.	.	H	α-helix	trans	-79	-26.9	178.3	174.1	0	0	0	0	112.8	I178 K179 E180 Y219	I178-V182 WeakPolarHBondContact O-CG2 3.31Å; I178-V182 PolarHBondContact O-N 3.22Å; K179-V182 PolarHBondContact O-N 3.37Å; E180-V182 VanDerWaalsContact C-N 3.26Å; E180-V182 PolarHBondContact O-N 2.94Å; V182-Y219 WeakPolarHBondContact CB-O 3.14Å; V182-Y219 HydrophobicContact CG1-CD2 4.24Å; V182-Y219 WeakPolarHBondContact CG1-O 3.48Å; V182-Y219 HydrophobicContact CG2-CD2 4.02Å
183	S	54.7	Low	65.2	Low	4 Å²	4	75.6 Å²	75.6	3%	0.028	39%	0.387	C	S	.	.	H	α-helix	trans	-73.7	-26.8	166.8	42.8	0	0	0	0	113.6	K179 E180 N185 K186 R188	K179-S183 PolarHBondContact O-N 3.28Å; K179-S183 PolarHBondContact O-OG 2.9Å; E180-S183 WeakPolarHBondContact CA-OG 3.27Å; E180-S183 CarbonylContact O-C 3.59Å; E180-S183 PolarHBondContact O-N 2.85Å; E180-S183 PolarHBondContact O-OG 3.47Å; S183-N185 PolarHBondContact O-N 2.84Å; S183-K186 WeakPolarHBondContact O-CB 3.43Å; S183-K186 WeakPolarHBondContact O-CE 3.41Å; S183-K186 WeakPolarHBondContact O-CG 3.41Å; S183-K186 PolarHBondContact O-N 3.02Å; S183-K186 VanDerWaalsContact O-N 3.12Å; S183-R188 VanDerWaalsContact CB-NH1 3.35Å; S183-R188 WeakPolarHBondContact OG-CD 3.45Å; S183-R188 PolarHBondContact OG-NH1 3.47Å
184	R	64.5	Low	66.8	Low	165 Å²	165	72.1 Å²	72.1	62%	0.623	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.8	-129.1	-171.4	-59.2	-173.2	174.1	-170.6	-4.6	109.8	E180 I181 K186	E180-R184 PolarHBondContact O-N 2.9Å; I181-R184 WeakPolarHBondContact O-CG 3.25Å; I181-R184 PolarHBondContact O-N 2.81Å; R184-K186 PolarHBondContact O-N 3.04Å; R184-K186 VanDerWaalsContact O-N 3.14Å
185	N	66.5	Low	69	Low	80 Å²	80	67.9 Å²	67.9	43%	0.428	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	14.6	-176.5	-58.1	-18.9	0	0	0	114.9	S183 T333 R334 D335	S183-N185 PolarHBondContact O-N 2.84Å; N185-T333 CarbonylContact O-C 3.54Å; N185-T333 VanDerWaalsContact O-CA 3.32Å; N185-T333 WeakPolarHBondContact O-CA 3.4Å; N185-T333 WeakPolarHBondContact O-CB 3.38Å; N185-R334 PolarHBondContact O-N 3.38Å; N185-D335 HydrophobicContact CB-CB 4.08Å; N185-D335 PolarHBondContact ND2-OD2 3.27Å
186	K	76.8	Confident	70.8	Confident	13 Å²	13	66 Å²	66	6%	0.057	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-75.9	150.7	175.5	-71.4	175.2	-70.6	174.3	0	111.3	S183 R184 D197 A299 T333	S183-K186 WeakPolarHBondContact O-CB 3.43Å; S183-K186 WeakPolarHBondContact O-CE 3.41Å; S183-K186 WeakPolarHBondContact O-CG 3.41Å; S183-K186 PolarHBondContact O-N 3.02Å; S183-K186 VanDerWaalsContact O-N 3.12Å; R184-K186 PolarHBondContact O-N 3.04Å; R184-K186 VanDerWaalsContact O-N 3.14Å; K186-D197 IonicContact NZ-OD1 3.33Å; K186-D197 IonicContact NZ-OD2 3.48Å; K186-D197 PolarHBondContact NZ-OD2 3.45Å; K186-A299 WeakPolarHBondContact CD-O 3.49Å; K186-A299 PolarHBondContact NZ-O 3.17Å; K186-T333 HydrophobicContact CG-CG2 4.47Å
187	R	78.1	Confident	72.6	Confident	119 Å²	119	64.6 Å²	64.6	45%	0.449	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-76.2	123.7	169.2	-56	-161.2	-166.9	-163.5	3.4	108.8	T199 E330 V331 R332 T333 R334	R187-T199 HydrophobicContact CB-CG2 4.26Å; R187-T199 PolarHBondContact O-OG1 2.99Å; R187-E330 VanDerWaalsContact CZ-O 3.26Å; R187-E330 PolarHBondContact NE-O 2.68Å; R187-E330 PolarHBondContact NH2-O 3.04Å; R187-V331 WeakPolarHBondContact CD-O 3.13Å; R187-V331 PolarHBondContact NE-O 3.11Å; R187-R332 PolarHBondContact N-O 2.83Å; R187-R332 PolarHBondContact O-NH1 3.17Å; R187-R332 VanDerWaalsContact O-NH1 3.16Å; R187-T333 PolarHBondContact NE-O 3.26Å; R187-R334 HydrophobicContact CG-CG 4.46Å
188	R	86.4	Confident	74.4	Confident	31 Å²	31	61.5 Å²	61.5	12%	0.117	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-92.5	152.9	173.8	-59.6	-178.9	72.6	79.8	5.5	109.7	K179 S183 Q190 D195 L196	K179-R188 PolarHBondContact O-NH1 3.45Å; S183-R188 VanDerWaalsContact CB-NH1 3.35Å; S183-R188 WeakPolarHBondContact OG-CD 3.45Å; S183-R188 PolarHBondContact OG-NH1 3.47Å; R188-Q190 HydrophobicContact CB-CG 4Å; R188-D195 IonicContact CZ-OD1 3.67Å; R188-D195 IonicContact CZ-OD2 2.61Å; R188-D195 IonicContact NE-OD1 3.17Å; R188-D195 PolarHBondContact NE-OD1 3.26Å; R188-D195 IonicContact NE-OD2 2.66Å; R188-D195 PolarHBondContact NE-OD2 3.43Å; R188-D195 VanDerWaalsContact NH2-CG 3.27Å; R188-D195 PolarHBondContact NH2-O 2.98Å; R188-D195 IonicContact NH2-OD1 3.7Å; R188-D195 PolarHBondContact NH2-OD1 2.68Å; R188-D195 IonicContact NH2-OD2 3.86Å; R188-D195 PolarHBondContact NH2-OD2 3.07Å; R188-L196 CarbonylContact C-O 3.57Å; R188-L196 VanDerWaalsContact CA-O 3.28Å; R188-L196 WeakPolarHBondContact CA-O 3.25Å; R188-L196 WeakPolarHBondContact CB-O 3.23Å
189	Y	83.6	Confident	76.4	Confident	18 Å²	18	59 Å²	59	7%	0.071	30%	0.295	C	S	.	.	B	Isolated β-bridge	trans	-88.3	119.3	166.2	-172.1	-97.2	0	0	0	108.6	E191 F194 D195 L196 L198 Y200 F229 K233	Y189-E191 HydrophobicContact CE1-CB 3.83Å; Y189-E191 HydrophobicContact CE2-CB 4.21Å; Y189-E191 HydrophobicContact CE2-CG 4.14Å; Y189-E191 WeakPolarHBondContact CE2-OE2 3.32Å; Y189-E191 WeakPolarHBondContact OH-CB 3.5Å; Y189-E191 PolarHBondContact OH-OE2 2.87Å; Y189-F194 HydrophobicContact CD1-CB 4.1Å; Y189-F194 HydrophobicContact CE1-CB 4.31Å; Y189-D195 WeakPolarHBondContact O-CA 3.33Å; Y189-L196 PolarHBondContact N-O 3.32Å; Y189-L196 PolarHBondContact O-N 3.31Å; Y189-L198 HydrophobicContact CG-CD2 4.41Å; Y189-L198 PolarHBondContact N-O 3.02Å; Y189-Y200 HydrophobicContact CD2-CE2 4.39Å; Y189-Y200 HydrophobicContact CE2-CE2 4.24Å; Y189-F229 HydrophobicContact CD1-CD2 4.29Å; Y189-F229 AromaticContact CD1-CE2 3.66Å; Y189-F229 HydrophobicContact CD1-CE2 3.66Å; Y189-F229 HydrophobicContact CD1-CZ 4.23Å; Y189-F229 HydrophobicContact CE1-CD2 4.06Å; Y189-F229 AromaticContact CE1-CE2 3.33Å; Y189-F229 HydrophobicContact CE1-CE2 3.33Å; Y189-F229 HydrophobicContact CE1-CZ 4.15Å; Y189-F229 HydrophobicContact CE2-CE2 4.46Å; Y189-F229 HydrophobicContact CG-CE2 4.34Å; Y189-F229 HydrophobicContact CG-CZ 4.49Å; Y189-F229 AromaticContact CZ-CE2 3.78Å; Y189-K233 PolarHBondContact OH-NZ 2.93Å
190	Q	83.6	Confident	78.4	Confident	114 Å²	114	60.4 Å²	60.4	53%	0.533	30%	0.3	S	S	.	.			trans	-135.6	54.6	-170.5	-70.8	-173.5	-33.3	0	0	111.4	R188 F194 D195	R188-Q190 HydrophobicContact CB-CG 4Å; Q190-F194 WeakPolarHBondContact CA-O 3.49Å; Q190-D195 WeakPolarHBondContact CG-OD1 3.44Å; Q190-D195 PolarHBondContact NE2-OD1 3.12Å
191	E	79.9	Confident	80.5	Confident	112 Å²	112	56.2 Å²	56.2	52%	0.523	28%	0.281	S	S	.	.			trans	-132.7	161.1	-177.1	-58.4	168.7	-172.7	0	0	109.8	Y189 G193 F194	Y189-E191 HydrophobicContact CE1-CB 3.83Å; Y189-E191 HydrophobicContact CE2-CB 4.21Å; Y189-E191 HydrophobicContact CE2-CG 4.14Å; Y189-E191 WeakPolarHBondContact CE2-OE2 3.32Å; Y189-E191 WeakPolarHBondContact OH-CB 3.5Å; Y189-E191 PolarHBondContact OH-OE2 2.87Å; E191-G193 PolarHBondContact O-N 3.48Å; E191-F194 PolarHBondContact O-N 2.93Å
192	D	79.8	Confident	82.8	Confident	116 Å²	116	54 Å²	54	62%	0.62	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	28.1	173.2	-60.2	-22.3	0	0	0	116.5	F194 K233	D192-F194 HydrophobicContact CB-CD2 4.21Å; D192-F194 HydrophobicContact CB-CE2 4.42Å; D192-K233 IonicContact OD2-NZ 2.67Å; D192-K233 PolarHBondContact OD2-NZ 3.17Å
193	G	83.1	Confident	84.8	Confident	69 Å²	69	56.2 Å²	56.2	71%	0.711	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	21.8	-178.4	0	0	0	0	0	114.5	E191	E191-G193 PolarHBondContact O-N 3.48Å
194	F	86.9	Confident	86.8	Confident	19 Å²	19	58.5 Å²	58.5	8%	0.083	29%	0.293	C	S	.	.			trans	-106.7	144.3	167.5	-62	-86.4	0	0	0	110.5	Y189 Q190 E191 D192 L196 R228 F229	Y189-F194 HydrophobicContact CD1-CB 4.1Å; Y189-F194 HydrophobicContact CE1-CB 4.31Å; Q190-F194 WeakPolarHBondContact CA-O 3.49Å; E191-F194 PolarHBondContact O-N 2.93Å; D192-F194 HydrophobicContact CB-CD2 4.21Å; D192-F194 HydrophobicContact CB-CE2 4.42Å; F194-L196 HydrophobicContact CB-CD1 4.47Å; F194-L196 HydrophobicContact CB-CG 4.49Å; F194-L196 HydrophobicContact CD1-CD1 4.28Å; F194-R228 HydrophobicContact CE1-CB 4.21Å; F194-R228 HydrophobicContact CE1-CG 3.93Å; F194-R228 VanDerWaalsContact CE1-CZ 3.4Å; F194-R228 HydrophobicContact CZ-CG 4.06Å; F194-F229 HydrophobicContact CD1-CB 3.85Å; F194-F229 HydrophobicContact CD1-CD2 4.2Å; F194-F229 HydrophobicContact CD1-CG 4.48Å; F194-F229 HydrophobicContact CD2-CD2 4.06Å; F194-F229 VanDerWaalsContact CE1-CA 3.5Å; F194-F229 HydrophobicContact CE1-CB 3.59Å; F194-F229 HydrophobicContact CE1-CD2 4.34Å; F194-F229 HydrophobicContact CE1-CG 4.49Å; F194-F229 HydrophobicContact CE2-CD2 4.21Å; F194-F229 HydrophobicContact CG-CD2 4.05Å; F194-F229 HydrophobicContact CZ-CB 4.1Å; F194-F229 HydrophobicContact CZ-CD2 4.34Å
195	D	88.3	Confident	88.5	Confident	47 Å²	47	50.9 Å²	50.9	25%	0.251	27%	0.265	S	S	.	.			trans	-132.1	96.7	164.8	171.3	56.6	0	0	0	108.4	R188 Y189 Q190	R188-D195 IonicContact CZ-OD1 3.67Å; R188-D195 IonicContact CZ-OD2 2.61Å; R188-D195 IonicContact NE-OD1 3.17Å; R188-D195 PolarHBondContact NE-OD1 3.26Å; R188-D195 IonicContact NE-OD2 2.66Å; R188-D195 PolarHBondContact NE-OD2 3.43Å; R188-D195 VanDerWaalsContact NH2-CG 3.27Å; R188-D195 PolarHBondContact NH2-O 2.98Å; R188-D195 IonicContact NH2-OD1 3.7Å; R188-D195 PolarHBondContact NH2-OD1 2.68Å; R188-D195 IonicContact NH2-OD2 3.86Å; R188-D195 PolarHBondContact NH2-OD2 3.07Å; Y189-D195 WeakPolarHBondContact O-CA 3.33Å; Q190-D195 WeakPolarHBondContact CG-OD1 3.44Å; Q190-D195 PolarHBondContact NE2-OD1 3.12Å
196	L	90.8	Very high	90	Very high	4 Å²	4	47.1 Å²	47.1	2%	0.021	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-126.9	140.5	-173	-65.4	174.6	0	0	0	111.4	R188 Y189 F194 L198 N221 D225 V226 F229	R188-L196 CarbonylContact C-O 3.57Å; R188-L196 VanDerWaalsContact CA-O 3.28Å; R188-L196 WeakPolarHBondContact CA-O 3.25Å; R188-L196 WeakPolarHBondContact CB-O 3.23Å; Y189-L196 PolarHBondContact N-O 3.32Å; Y189-L196 PolarHBondContact O-N 3.31Å; F194-L196 HydrophobicContact CB-CD1 4.47Å; F194-L196 HydrophobicContact CB-CG 4.49Å; F194-L196 HydrophobicContact CD1-CD1 4.28Å; L196-L198 HydrophobicContact CB-CB 3.81Å; L196-L198 HydrophobicContact CD1-CD1 4.28Å; L196-L198 PolarHBondContact O-N 2.99Å; L196-N221 HydrophobicContact CD2-CB 4.18Å; L196-D225 HydrophobicContact CD2-CB 4.13Å; L196-V226 HydrophobicContact CD1-CG2 4.44Å; L196-V226 HydrophobicContact CD2-CG2 4.04Å; L196-F229 HydrophobicContact CD1-CB 3.83Å; L196-F229 HydrophobicContact CD1-CD1 4.32Å; L196-F229 HydrophobicContact CD1-CD2 4.41Å; L196-F229 HydrophobicContact CD1-CG 3.94Å
197	D	92.4	Very high	91	Very high	12 Å²	12	46.5 Å²	46.5	6%	0.064	24%	0.242	C	C	.	.	S	Bend	trans	-71.3	78.3	161.7	176.2	28.3	0	0	0	109	K186 M208 G209 N221 R332	K186-D197 IonicContact NZ-OD1 3.33Å; K186-D197 IonicContact NZ-OD2 3.48Å; K186-D197 PolarHBondContact NZ-OD2 3.45Å; D197-M208 CarbonylContact O-C 3.57Å; D197-M208 WeakPolarHBondContact O-CA 2.96Å; D197-M208 WeakPolarHBondContact O-CB 3.21Å; D197-G209 PolarHBondContact O-N 3.07Å; D197-G209 WeakPolarHBondContact OD2-CA 3.24Å; D197-N221 WeakPolarHBondContact CB-OD1 3.44Å; D197-N221 PolarHBondContact N-OD1 3.04Å; D197-N221 PolarHBondContact O-ND2 3.16Å; D197-R332 IonicContact OD1-CZ 2.76Å; D197-R332 VanDerWaalsContact OD1-CZ 3.28Å; D197-R332 IonicContact OD1-NH1 3.8Å; D197-R332 PolarHBondContact OD1-NH1 3.14Å; D197-R332 IonicContact OD1-NH2 2.67Å; D197-R332 PolarHBondContact OD1-NH2 2.96Å; D197-R332 IonicContact OD2-NH2 2.63Å
198	L	94.4	Very high	91.9	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	140.7	-171	-173.5	147.7	0	0	0	108.7	Y189 L196 Y200 I206 M208 F229	Y189-L198 HydrophobicContact CG-CD2 4.41Å; Y189-L198 PolarHBondContact N-O 3.02Å; L196-L198 HydrophobicContact CB-CB 3.81Å; L196-L198 HydrophobicContact CD1-CD1 4.28Å; L196-L198 PolarHBondContact O-N 2.99Å; L198-Y200 HydrophobicContact CD2-CE2 4.25Å; L198-I206 HydrophobicContact CD1-CG2 3.93Å; L198-I206 HydrophobicContact CD2-CG2 3.85Å; L198-I206 HydrophobicContact CG-CG2 3.57Å; L198-M208 HydrophobicContact CB-CB 4.16Å; L198-M208 HydrophobicContact CD1-CB 4.25Å; L198-M208 HydrophobicContact CD1-SD 4.3Å; L198-M208 HydrophobicContact CG-CB 4.1Å; L198-F229 HydrophobicContact CD1-CD1 3.7Å; L198-F229 HydrophobicContact CD1-CE1 3.48Å; L198-F229 VanDerWaalsContact CD1-CE1 3.48Å; L198-F229 HydrophobicContact CD1-CZ 4.31Å; L198-F229 HydrophobicContact CD2-CE1 3.7Å; L198-F229 HydrophobicContact CD2-CZ 3.82Å; L198-F229 HydrophobicContact CG-CE1 4.27Å
199	T	96.8	Very high	92.3	Very high	16 Å²	16	39.4 Å²	39.4	10%	0.098	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	131.8	177.5	-42.4	0	0	0	0	110.4	R187 I201 I206 A207 V331 R332	R187-T199 HydrophobicContact CB-CG2 4.26Å; R187-T199 PolarHBondContact O-OG1 2.99Å; T199-I201 PolarHBondContact O-N 3.09Å; T199-I206 WeakPolarHBondContact O-CA 3.39Å; T199-A207 PolarHBondContact N-O 3.34Å; T199-A207 PolarHBondContact O-N 3.08Å; T199-V331 HydrophobicContact CG2-CG1 4.19Å; T199-R332 VanDerWaalsContact OG1-CD 3.31Å; T199-R332 WeakPolarHBondContact OG1-CD 3.5Å; T199-R332 PolarHBondContact OG1-NH1 2.77Å
200	Y	98	Very high	92.8	Very high	61 Å²	61	39 Å²	39	24%	0.239	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	115.9	164.3	-67.1	-89.6	0	0	0	108.8	Y189 L198 P203 I206 F229 H234 V331	Y189-Y200 HydrophobicContact CD2-CE2 4.39Å; Y189-Y200 HydrophobicContact CE2-CE2 4.24Å; L198-Y200 HydrophobicContact CD2-CE2 4.25Å; Y200-P203 WeakPolarHBondContact CD1-O 3.24Å; Y200-P203 WeakPolarHBondContact CE1-O 3.43Å; Y200-I206 HydrophobicContact CD1-CD1 4.2Å; Y200-I206 HydrophobicContact CD1-CG1 3.57Å; Y200-I206 HydrophobicContact CE1-CD1 3.59Å; Y200-I206 HydrophobicContact CE1-CG1 3.51Å; Y200-I206 HydrophobicContact CG-CG1 4.24Å; Y200-F229 HydrophobicContact CE2-CZ 4.02Å; Y200-F229 VanDerWaalsContact OH-CZ 3.31Å; Y200-F229 WeakPolarHBondContact OH-CZ 3.29Å; Y200-H234 AromaticContact CE1-NE2 3.65Å; Y200-H234 AromaticContact CZ-NE2 3.69Å; Y200-H234 PolarHBondContact OH-NE2 2.98Å; Y200-V331 WeakPolarHBondContact O-CG1 3.39Å
201	I	98.4	Very high	93.3	Very high	8 Å²	8	33.6 Å²	33.6	4%	0.041	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-38.5	170	-53.3	-55.4	0	0	0	109.5	T199 I205 A207 I308 L312 F327 Y328 V331 R332	T199-I201 PolarHBondContact O-N 3.09Å; I201-I205 HydrophobicContact CB-CG2 4.4Å; I201-I205 PolarHBondContact N-O 3.36Å; I201-A207 HydrophobicContact CD1-CB 3.9Å; I201-A207 HydrophobicContact CG1-CB 3.69Å; I201-I308 HydrophobicContact CG1-CD1 4.18Å; I201-I308 HydrophobicContact CG2-CG2 4.05Å; I201-L312 HydrophobicContact CG2-CD1 4.33Å; I201-F327 HydrophobicContact CG2-CD1 4.44Å; I201-F327 HydrophobicContact CG2-CE1 3.72Å; I201-F327 WeakPolarHBondContact O-CZ 3.48Å; I201-Y328 HydrophobicContact CD1-CD2 3.85Å; I201-Y328 HydrophobicContact CD1-CE2 3.8Å; I201-Y328 HydrophobicContact CG1-CD2 4.13Å; I201-Y328 HydrophobicContact CG1-CE2 4.07Å; I201-Y328 HydrophobicContact CG2-CD2 4.34Å; I201-V331 HydrophobicContact CD1-CB 4.39Å; I201-V331 HydrophobicContact CD1-CG1 4.03Å; I201-R332 HydrophobicContact CD1-CB 4.01Å
202	Y	98.4	Very high	93.8	Very high	65 Å²	65	28.2 Å²	28.2	26%	0.255	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	165.9	161.1	-82.7	-90.8	0	0	0	108	N204 I205 L312 F327	Y202-N204 PolarHBondContact O-N 2.85Å; Y202-I205 HydrophobicContact CD2-CD1 4.12Å; Y202-I205 HydrophobicContact CG-CD1 4.41Å; Y202-I205 PolarHBondContact N-O 3.38Å; Y202-I205 CarbonylContact O-C 3.57Å; Y202-I205 PolarHBondContact O-N 2.94Å; Y202-I205 VanDerWaalsContact O-O 3.11Å; Y202-L312 HydrophobicContact CD2-CD1 4.43Å; Y202-L312 HydrophobicContact CD2-CD2 3.66Å; Y202-L312 HydrophobicContact CE2-CD1 3.99Å; Y202-L312 HydrophobicContact CE2-CD2 3.37Å; Y202-L312 HydrophobicContact CE2-CG 4.34Å; Y202-F327 HydrophobicContact CD2-CE1 4.12Å; Y202-F327 HydrophobicContact CD2-CZ 4.34Å; Y202-F327 HydrophobicContact CE2-CD1 4.49Å; Y202-F327 AromaticContact CE2-CE1 3.46Å; Y202-F327 HydrophobicContact CE2-CE1 3.46Å; Y202-F327 VanDerWaalsContact CE2-CE1 3.46Å; Y202-F327 AromaticContact CE2-CZ 3.72Å; Y202-F327 HydrophobicContact CE2-CZ 3.72Å; Y202-F327 AromaticContact CZ-CZ 3.93Å
203	P	98.2	Very high	94	Very high	107 Å²	107	25.8 Å²	25.8	70%	0.695	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-32.8	179.8	-29.6	36.9	0	0	0	114.4	Y200	Y200-P203 WeakPolarHBondContact CD1-O 3.24Å; Y200-P203 WeakPolarHBondContact CE1-O 3.43Å
204	N	98.5	Very high	93.4	Very high	51 Å²	51	32.7 Å²	32.7	27%	0.273	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	6.7	177.4	62.2	-18	0	0	0	115.3	Y202 L285 H291 V292 A293	Y202-N204 PolarHBondContact O-N 2.85Å; N204-L285 HydrophobicContact CB-CD2 4.16Å; N204-H291 VanDerWaalsContact CB-O 3.23Å; N204-H291 WeakPolarHBondContact CB-O 3.47Å; N204-V292 HydrophobicContact CB-CG2 4.41Å; N204-V292 WeakPolarHBondContact O-CA 3.34Å; N204-A293 PolarHBondContact O-N 3.07Å
205	I	98.8	Very high	92.1	Very high	6 Å²	6	39 Å²	39	3%	0.031	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	104.7	-178.3	-52.7	175.1	0	0	0	109.4	I201 Y202 L285 I295 I308 Y311 L312	I201-I205 HydrophobicContact CB-CG2 4.4Å; I201-I205 PolarHBondContact N-O 3.36Å; Y202-I205 HydrophobicContact CD2-CD1 4.12Å; Y202-I205 HydrophobicContact CG-CD1 4.41Å; Y202-I205 PolarHBondContact N-O 3.38Å; Y202-I205 CarbonylContact O-C 3.57Å; Y202-I205 PolarHBondContact O-N 2.94Å; Y202-I205 VanDerWaalsContact O-O 3.11Å; I205-L285 HydrophobicContact CG1-CD1 4.09Å; I205-I295 HydrophobicContact CG2-CD1 3.82Å; I205-I308 HydrophobicContact CG2-CD1 4.14Å; I205-I308 HydrophobicContact CG2-CG1 4.28Å; I205-I308 HydrophobicContact CG2-CG2 4.29Å; I205-Y311 HydrophobicContact CD1-CD1 3.94Å; I205-Y311 HydrophobicContact CD1-CE1 3.67Å; I205-Y311 HydrophobicContact CG1-CE1 4.47Å; I205-L312 HydrophobicContact CD1-CD2 3.92Å
206	I	98.8	Very high	90.9	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	131.1	178	-65.2	169.7	0	0	0	110.1	L198 T199 Y200 M208 F229 L230 V292 A293 A294 I295	L198-I206 HydrophobicContact CD1-CG2 3.93Å; L198-I206 HydrophobicContact CD2-CG2 3.85Å; L198-I206 HydrophobicContact CG-CG2 3.57Å; T199-I206 WeakPolarHBondContact O-CA 3.39Å; Y200-I206 HydrophobicContact CD1-CD1 4.2Å; Y200-I206 HydrophobicContact CD1-CG1 3.57Å; Y200-I206 HydrophobicContact CE1-CD1 3.59Å; Y200-I206 HydrophobicContact CE1-CG1 3.51Å; Y200-I206 HydrophobicContact CG-CG1 4.24Å; I206-M208 HydrophobicContact CG2-CB 4.3Å; I206-F229 HydrophobicContact CD1-CE1 4.33Å; I206-L230 HydrophobicContact CD1-CD2 4.02Å; I206-V292 HydrophobicContact CD1-CG1 3.69Å; I206-V292 HydrophobicContact CG1-CG1 4.03Å; I206-A293 PolarHBondContact N-O 3.16Å; I206-A294 HydrophobicContact CB-CB 4.28Å; I206-A294 HydrophobicContact CG2-CB 4.41Å; I206-I295 WeakPolarHBondContact O-CD1 3.26Å; I206-I295 PolarHBondContact O-N 3.13Å
207	A	98.4	Very high	89.4	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	124.3	163.9	0	0	0	0	0	109.6	T199 I201 I295 T304 I308 Y328	T199-A207 PolarHBondContact N-O 3.34Å; T199-A207 PolarHBondContact O-N 3.08Å; I201-A207 HydrophobicContact CD1-CB 3.9Å; I201-A207 HydrophobicContact CG1-CB 3.69Å; A207-I295 WeakPolarHBondContact CA-O 3.37Å; A207-T304 HydrophobicContact CB-CG2 3.81Å; A207-I308 HydrophobicContact CB-CD1 3.77Å; A207-Y328 HydrophobicContact CB-CE2 4.09Å
208	M	97.1	Very high	87.8	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	159.1	-178.5	68.2	-178.5	-177.9	0	0	113.9	D197 L198 I206 V226 I240 A294 I295 H296 G300	D197-M208 CarbonylContact O-C 3.57Å; D197-M208 WeakPolarHBondContact O-CA 2.96Å; D197-M208 WeakPolarHBondContact O-CB 3.21Å; L198-M208 HydrophobicContact CB-CB 4.16Å; L198-M208 HydrophobicContact CD1-CB 4.25Å; L198-M208 HydrophobicContact CD1-SD 4.3Å; L198-M208 HydrophobicContact CG-CB 4.1Å; I206-M208 HydrophobicContact CG2-CB 4.3Å; M208-V226 HydrophobicContact CE-CG1 4.26Å; M208-V226 HydrophobicContact SD-CG1 3.84Å; M208-I240 HydrophobicContact CE-CG2 4.06Å; M208-A294 HydrophobicContact CE-CB 3.9Å; M208-A294 HydrophobicContact SD-CB 4.21Å; M208-I295 PolarHBondContact N-O 2.73Å; M208-I295 VanDerWaalsContact N-O 3.09Å; M208-H296 HydrophobicContact CE-CB 4Å; M208-H296 HydrophobicContact CG-CB 3.6Å; M208-H296 WeakPolarHBondContact O-CA 3.39Å; M208-H296 VanDerWaalsContact O-CB 3.23Å; M208-H296 WeakPolarHBondContact O-CB 3.27Å; M208-G300 WeakPolarHBondContact O-CA 3.43Å
209	G	93.6	Very high	86.3	Confident	2 Å²	2	45.2 Å²	45.2	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	159.5	165.9	0	0	0	0	0	112.1	D197 N221	D197-G209 PolarHBondContact O-N 3.07Å; D197-G209 WeakPolarHBondContact OD2-CA 3.24Å; G209-N221 PolarHBondContact O-ND2 3.44Å; G209-N221 VanDerWaalsContact O-ND2 3.08Å
210	F	94.8	Very high	85.5	Confident	9 Å²	9	46 Å²	46	4%	0.039	22%	0.219	C	C	.	.			trans	-54.7	126	-175.1	-176.8	-99	0	0	0	112.5	A212 R247 Y249 H296 C297	F210-A212 HydrophobicContact CD1-CB 4.04Å; F210-A212 HydrophobicContact CE1-CB 4.36Å; F210-A212 PolarHBondContact O-N 3.28Å; F210-R247 HydrophobicContact CD2-CB 4.35Å; F210-R247 HydrophobicContact CE2-CB 3.64Å; F210-R247 HydrophobicContact CE2-CG 4.47Å; F210-R247 HydrophobicContact CZ-CB 3.78Å; F210-R247 HydrophobicContact CZ-CG 4.25Å; F210-Y249 AromaticContact CE2-CD1 3.71Å; F210-Y249 HydrophobicContact CE2-CD1 3.71Å; F210-Y249 AromaticContact CE2-CE1 3.93Å; F210-Y249 HydrophobicContact CE2-CE1 3.93Å; F210-Y249 AromaticContact CZ-CD1 3.71Å; F210-Y249 HydrophobicContact CZ-CD1 3.71Å; F210-Y249 HydrophobicContact CZ-CE1 4.39Å; F210-H296 AromaticContact CD2-CE1 2.96Å; F210-H296 WeakPolarHBondContact CD2-CE1 3.13Å; F210-H296 AromaticContact CD2-ND1 3.75Å; F210-H296 AromaticContact CE2-CE1 3.15Å; F210-H296 WeakPolarHBondContact CE2-CE1 3.22Å; F210-C297 PolarHBondContact N-O 3.05Å
211	P	94.2	Very high	85	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	105.7	173.7	30.3	-32	0	0	0	108.8	I223 V226 Y249 F254	P211-I223 HydrophobicContact CB-CB 4.11Å; P211-I223 HydrophobicContact CB-CD1 4.36Å; P211-I223 HydrophobicContact CB-CG1 4.05Å; P211-V226 HydrophobicContact CB-CB 4.4Å; P211-V226 HydrophobicContact CB-CG2 4.24Å; P211-Y249 HydrophobicContact CG-CD1 3.96Å; P211-Y249 HydrophobicContact CG-CE1 3.57Å; P211-F254 HydrophobicContact CB-CE2 4.47Å; P211-F254 HydrophobicContact CB-CZ 4.04Å; P211-F254 HydrophobicContact CG-CE2 4.2Å; P211-F254 HydrophobicContact CG-CZ 4.12Å
212	A	89.4	Confident	84.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140.8	-169.5	0	0	0	0	0	112.3	F210 E216 R220 N221 I223	F210-A212 HydrophobicContact CD1-CB 4.04Å; F210-A212 HydrophobicContact CE1-CB 4.36Å; F210-A212 PolarHBondContact O-N 3.28Å; A212-E216 HydrophobicContact CB-CB 3.67Å; A212-R220 HydrophobicContact CB-CB 3.87Å; A212-N221 WeakPolarHBondContact CB-O 3.37Å; A212-N221 PolarHBondContact N-O 3.28Å; A212-I223 PolarHBondContact O-N 3.02Å
213	E	84	Confident	84.5	Confident	65 Å²	65	41.7 Å²	41.7	30%	0.304	21%	0.205	S	C	.	.			trans	-84.3	150.6	172.5	-74.1	-175.3	-146.5	0	0	112.2	E216 I223 D250	E213-E216 PolarHBondContact O-N 3.43Å; E213-I223 HydrophobicContact CG-CG2 3.97Å; E213-D250 PolarHBondContact OE1-N 3.27Å
214	R	70.4	Confident	84.2	Confident	214 Å²	214	40.5 Å²	40.5	81%	0.808	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	54.1	-135.6	167.4	-53.1	173.7	-162.4	-156	1.5	112.1	E216 G217	R214-E216 PolarHBondContact O-N 2.85Å; R214-E216 VanDerWaalsContact O-N 3.12Å; R214-G217 PolarHBondContact O-N 2.69Å
215	L	60.3	Low	84	Confident	151 Å²	151	40 Å²	40	79%	0.791	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-61.5	-19.4	-172.6	-67.9	171.4	0	0	0	114.4	G217 V218	L215-G217 VanDerWaalsContact C-N 3.34Å; L215-V218 WeakPolarHBondContact O-CB 3.35Å; L215-V218 VanDerWaalsContact O-CG2 3.31Å; L215-V218 WeakPolarHBondContact O-CG2 3.37Å; L215-V218 PolarHBondContact O-N 3.48Å
216	E	63.4	Low	83.9	Confident	50 Å²	50	39.8 Å²	39.8	23%	0.234	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-73.8	-24.9	172.4	-72.9	-148.5	152.9	0	0	113.3	A212 E213 R214 V218 Y219 R220 R247	A212-E216 HydrophobicContact CB-CB 3.67Å; E213-E216 PolarHBondContact O-N 3.43Å; R214-E216 PolarHBondContact O-N 2.85Å; R214-E216 VanDerWaalsContact O-N 3.12Å; E216-V218 PolarHBondContact O-N 2.88Å; E216-V218 VanDerWaalsContact O-N 3.15Å; E216-Y219 HydrophobicContact CB-CE1 4.02Å; E216-Y219 HydrophobicContact CG-CE1 3.84Å; E216-Y219 PolarHBondContact O-N 3.31Å; E216-Y219 PolarHBondContact OE1-OH 3Å; E216-R220 PolarHBondContact O-N 2.99Å; E216-R220 IonicContact OE1-NH1 3.31Å; E216-R220 PolarHBondContact OE1-NH1 3.08Å; E216-R220 IonicContact OE2-CZ 2.67Å; E216-R220 IonicContact OE2-NH1 2.65Å; E216-R220 PolarHBondContact OE2-NH1 3.31Å; E216-R247 IonicContact OE1-CZ 2.73Å; E216-R247 IonicContact OE1-NH1 3.01Å; E216-R247 IonicContact OE1-NH2 2.71Å; E216-R247 PolarHBondContact OE1-NH2 2.97Å; E216-R247 IonicContact OE2-CZ 3.4Å; E216-R247 IonicContact OE2-NH1 3.32Å; E216-R247 PolarHBondContact OE2-NH1 2.91Å; E216-R247 IonicContact OE2-NH2 3.22Å; E216-R247 PolarHBondContact OE2-NH2 3.18Å
217	G	58.9	Low	83.8	Confident	7 Å²	7	40.9 Å²	40.9	7%	0.072	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-66.5	-8.1	173.3	0	0	0	0	0	114.2	K179 R214 L215 Y219	K179-G217 WeakPolarHBondContact CE-O 3.44Å; K179-G217 PolarHBondContact NZ-O 2.84Å; R214-G217 PolarHBondContact O-N 2.69Å; L215-G217 VanDerWaalsContact C-N 3.34Å; G217-Y219 VanDerWaalsContact C-N 3.33Å
218	V	57.9	Low	83.7	Confident	63 Å²	63	46.4 Å²	46.4	38%	0.382	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-68.6	-33.5	168.9	-179.7	0	0	0	0	110.7	T175 K179 L215 E216	T175-V218 HydrophobicContact CG2-CG1 4.09Å; T175-V218 VanDerWaalsContact CG2-O 3.3Å; T175-V218 WeakPolarHBondContact CG2-O 3.12Å; K179-V218 VanDerWaalsContact CE-O 3.32Å; K179-V218 WeakPolarHBondContact CE-O 3.4Å; K179-V218 WeakPolarHBondContact CG-O 3.3Å; L215-V218 WeakPolarHBondContact O-CB 3.35Å; L215-V218 VanDerWaalsContact O-CG2 3.31Å; L215-V218 WeakPolarHBondContact O-CG2 3.37Å; L215-V218 PolarHBondContact O-N 3.48Å; E216-V218 PolarHBondContact O-N 2.88Å; E216-V218 VanDerWaalsContact O-N 3.15Å
219	Y	63.7	Low	83.7	Confident	74 Å²	74	46.4 Å²	46.4	29%	0.29	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-12.3	-174	76	-97.2	0	0	0	114.9	I178 V182 E216 G217	I178-Y219 VanDerWaalsContact CG2-CB 3.45Å; V182-Y219 WeakPolarHBondContact CB-O 3.14Å; V182-Y219 HydrophobicContact CG1-CD2 4.24Å; V182-Y219 WeakPolarHBondContact CG1-O 3.48Å; V182-Y219 HydrophobicContact CG2-CD2 4.02Å; E216-Y219 HydrophobicContact CB-CE1 4.02Å; E216-Y219 HydrophobicContact CG-CE1 3.84Å; E216-Y219 PolarHBondContact O-N 3.31Å; E216-Y219 PolarHBondContact OE1-OH 3Å; G217-Y219 VanDerWaalsContact C-N 3.33Å
220	R	80.7	Confident	83.9	Confident	34 Å²	34	46.3 Å²	46.3	13%	0.128	22%	0.215	C	C	.	.	S	Bend	trans	-109.7	-170.6	166.9	-68.5	-162.8	175.4	79.5	20.2	111.1	K179 A212 E216 N222 K298	K179-R220 VanDerWaalsContact CE-O 3.32Å; K179-R220 WeakPolarHBondContact CE-O 3.28Å; A212-R220 HydrophobicContact CB-CB 3.87Å; E216-R220 PolarHBondContact O-N 2.99Å; E216-R220 IonicContact OE1-NH1 3.31Å; E216-R220 PolarHBondContact OE1-NH1 3.08Å; E216-R220 IonicContact OE2-CZ 2.67Å; E216-R220 IonicContact OE2-NH1 2.65Å; E216-R220 PolarHBondContact OE2-NH1 3.31Å; R220-N222 PolarHBondContact O-N 3.45Å; R220-K298 PolarHBondContact NE-O 2.71Å
221	N	86.9	Confident	84	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	127	162.7	-66.7	-18.9	0	0	0	108.8	L196 D197 G209 A212 V226	L196-N221 HydrophobicContact CD2-CB 4.18Å; D197-N221 WeakPolarHBondContact CB-OD1 3.44Å; D197-N221 PolarHBondContact N-OD1 3.04Å; D197-N221 PolarHBondContact O-ND2 3.16Å; G209-N221 PolarHBondContact O-ND2 3.44Å; G209-N221 VanDerWaalsContact O-ND2 3.08Å; A212-N221 WeakPolarHBondContact CB-O 3.37Å; A212-N221 PolarHBondContact N-O 3.28Å; N221-V226 HydrophobicContact CB-CG2 3.73Å
222	N	91.3	Very high	84.1	Confident	40 Å²	40	52.2 Å²	52.2	21%	0.214	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	127.9	165.7	173.1	21.2	0	0	0	108.3	R220 D224 D225 V226	R220-N222 PolarHBondContact O-N 3.45Å; N222-D224 PolarHBondContact O-N 3.44Å; N222-D224 PolarHBondContact OD1-N 2.83Å; N222-D225 HydrophobicContact CB-CB 4.29Å; N222-D225 WeakPolarHBondContact CB-OD2 3.3Å; N222-D225 PolarHBondContact ND2-OD2 3.45Å; N222-D225 PolarHBondContact O-N 2.98Å; N222-D225 VanDerWaalsContact O-N 3.13Å; N222-V226 PolarHBondContact O-N 3.31Å; N222-V226 VanDerWaalsContact O-N 3.16Å
223	I	94.4	Very high	84.4	Confident	0 Å²	0	56 Å²	56	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-54.5	-38.9	-179.7	-173.9	156.4	0	0	0	112.2	P211 A212 E213 D225 V226 V227 Y249 K253 F254	P211-I223 HydrophobicContact CB-CB 4.11Å; P211-I223 HydrophobicContact CB-CD1 4.36Å; P211-I223 HydrophobicContact CB-CG1 4.05Å; A212-I223 PolarHBondContact O-N 3.02Å; E213-I223 HydrophobicContact CG-CG2 3.97Å; I223-D225 VanDerWaalsContact C-N 3.32Å; I223-D225 PolarHBondContact O-N 3.02Å; I223-V226 PolarHBondContact O-N 2.91Å; I223-V226 VanDerWaalsContact O-N 3.12Å; I223-V227 HydrophobicContact CG1-CG2 4.46Å; I223-V227 WeakPolarHBondContact O-CG2 3.5Å; I223-V227 PolarHBondContact O-N 3.41Å; I223-Y249 HydrophobicContact CD1-CD2 3.99Å; I223-Y249 HydrophobicContact CD1-CG 3.93Å; I223-K253 HydrophobicContact CD1-CB 4.49Å; I223-K253 HydrophobicContact CD1-CD 3.85Å; I223-K253 HydrophobicContact CG1-CD 3.96Å; I223-K253 HydrophobicContact CG2-CD 4.16Å; I223-F254 HydrophobicContact CD1-CE2 3.72Å; I223-F254 HydrophobicContact CD1-CZ 4.19Å; I223-F254 HydrophobicContact CG1-CE2 3.92Å; I223-F254 HydrophobicContact CG1-CZ 3.86Å
224	D	93.3	Very high	85.1	Confident	82 Å²	82	54.4 Å²	54.4	44%	0.439	26%	0.262	S	S	.	.	H	α-helix	trans	-71.5	-28.1	-176.5	-58.2	-41.6	0	0	0	112.2	N222 R228 K253	N222-D224 PolarHBondContact O-N 3.44Å; N222-D224 PolarHBondContact OD1-N 2.83Å; D224-R228 VanDerWaalsContact O-CB 3.23Å; D224-R228 WeakPolarHBondContact O-CB 3.5Å; D224-R228 PolarHBondContact O-N 3.05Å; D224-K253 IonicContact OD1-NZ 2.93Å; D224-K253 PolarHBondContact OD1-NZ 2.81Å; D224-K253 IonicContact OD2-NZ 2.68Å
225	D	93.7	Very high	86.3	Confident	41 Å²	41	51 Å²	51	22%	0.219	25%	0.253	C	S	.	.	H	α-helix	trans	-74.6	-32	170.7	-73.8	-62.6	0	0	0	112.5	L196 N222 I223 R228 F229	L196-D225 HydrophobicContact CD2-CB 4.13Å; N222-D225 HydrophobicContact CB-CB 4.29Å; N222-D225 WeakPolarHBondContact CB-OD2 3.3Å; N222-D225 PolarHBondContact ND2-OD2 3.45Å; N222-D225 PolarHBondContact O-N 2.98Å; N222-D225 VanDerWaalsContact O-N 3.13Å; I223-D225 VanDerWaalsContact C-N 3.32Å; I223-D225 PolarHBondContact O-N 3.02Å; D225-R228 IonicContact OD1-CZ 3.26Å; D225-R228 IonicContact OD1-NE 2.8Å; D225-R228 PolarHBondContact OD1-NE 3.44Å; D225-R228 IonicContact OD1-NH2 3.45Å; D225-R228 PolarHBondContact OD1-NH2 3.08Å; D225-F229 VanDerWaalsContact O-CB 3.26Å; D225-F229 WeakPolarHBondContact O-CB 3.5Å; D225-F229 PolarHBondContact O-N 2.97Å
226	V	96.3	Very high	88	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-70.7	-41.3	174.1	-179.3	0	0	0	0	110.8	L196 M208 P211 N221 N222 I223 F229 L230 F254	L196-V226 HydrophobicContact CD1-CG2 4.44Å; L196-V226 HydrophobicContact CD2-CG2 4.04Å; M208-V226 HydrophobicContact CE-CG1 4.26Å; M208-V226 HydrophobicContact SD-CG1 3.84Å; P211-V226 HydrophobicContact CB-CB 4.4Å; P211-V226 HydrophobicContact CB-CG2 4.24Å; N221-V226 HydrophobicContact CB-CG2 3.73Å; N222-V226 PolarHBondContact O-N 3.31Å; N222-V226 VanDerWaalsContact O-N 3.16Å; I223-V226 PolarHBondContact O-N 2.91Å; I223-V226 VanDerWaalsContact O-N 3.12Å; V226-F229 PolarHBondContact O-N 2.95Å; V226-L230 HydrophobicContact CG1-CD1 3.96Å; V226-L230 HydrophobicContact CG1-CG 4.38Å; V226-L230 WeakPolarHBondContact O-CB 3.44Å; V226-L230 WeakPolarHBondContact O-CG 3.47Å; V226-L230 PolarHBondContact O-N 3.37Å; V226-F254 HydrophobicContact CG1-CE1 4.02Å; V226-F254 HydrophobicContact CG1-CZ 4.19Å
227	V	96.3	Very high	89.7	Confident	23 Å²	23	49.5 Å²	49.5	14%	0.139	25%	0.245	C	C	.	.	H	α-helix	trans	-60.5	-51.7	171.7	175.3	0	0	0	0	110.1	I223 F229 L230 D231 K253 F254	I223-V227 HydrophobicContact CG1-CG2 4.46Å; I223-V227 WeakPolarHBondContact O-CG2 3.5Å; I223-V227 PolarHBondContact O-N 3.41Å; V227-F229 PolarHBondContact O-N 3.09Å; V227-L230 PolarHBondContact O-N 2.89Å; V227-D231 WeakPolarHBondContact CG1-OD2 3.4Å; V227-D231 WeakPolarHBondContact O-CB 3.36Å; V227-D231 PolarHBondContact O-N 3.46Å; V227-K253 HydrophobicContact CG2-CB 4.19Å; V227-K253 VanDerWaalsContact CG2-O 3.23Å; V227-K253 WeakPolarHBondContact CG2-O 3.4Å; V227-F254 HydrophobicContact CG2-CD1 3.83Å; V227-F254 HydrophobicContact CG2-CE1 3.52Å; V227-F254 HydrophobicContact CG2-CZ 3.99Å
228	R	96.1	Very high	91.6	Very high	117 Å²	117	49.1 Å²	49.1	44%	0.442	24%	0.242	S	C	.	.	H	α-helix	trans	-55.1	-37.6	176.2	-177.9	174.1	66.9	95.2	-7.3	112.7	F194 D224 D225 S232	F194-R228 HydrophobicContact CE1-CB 4.21Å; F194-R228 HydrophobicContact CE1-CG 3.93Å; F194-R228 VanDerWaalsContact CE1-CZ 3.4Å; F194-R228 HydrophobicContact CZ-CG 4.06Å; D224-R228 VanDerWaalsContact O-CB 3.23Å; D224-R228 WeakPolarHBondContact O-CB 3.5Å; D224-R228 PolarHBondContact O-N 3.05Å; D225-R228 IonicContact OD1-CZ 3.26Å; D225-R228 IonicContact OD1-NE 2.8Å; D225-R228 PolarHBondContact OD1-NE 3.44Å; D225-R228 IonicContact OD1-NH2 3.45Å; D225-R228 PolarHBondContact OD1-NH2 3.08Å; R228-S232 VanDerWaalsContact O-CB 3.26Å; R228-S232 WeakPolarHBondContact O-CB 3.37Å; R228-S232 PolarHBondContact O-N 2.84Å; R228-S232 PolarHBondContact O-OG 3.29Å
229	F	97.5	Very high	93.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-68.8	-51.8	176.5	174.4	-104.6	0	0	0	111.8	Y189 F194 L196 L198 Y200 I206 D225 V226 V227 S232 K233	Y189-F229 HydrophobicContact CD1-CD2 4.29Å; Y189-F229 AromaticContact CD1-CE2 3.66Å; Y189-F229 HydrophobicContact CD1-CE2 3.66Å; Y189-F229 HydrophobicContact CD1-CZ 4.23Å; Y189-F229 HydrophobicContact CE1-CD2 4.06Å; Y189-F229 AromaticContact CE1-CE2 3.33Å; Y189-F229 HydrophobicContact CE1-CE2 3.33Å; Y189-F229 HydrophobicContact CE1-CZ 4.15Å; Y189-F229 HydrophobicContact CE2-CE2 4.46Å; Y189-F229 HydrophobicContact CG-CE2 4.34Å; Y189-F229 HydrophobicContact CG-CZ 4.49Å; Y189-F229 AromaticContact CZ-CE2 3.78Å; F194-F229 HydrophobicContact CD1-CB 3.85Å; F194-F229 HydrophobicContact CD1-CD2 4.2Å; F194-F229 HydrophobicContact CD1-CG 4.48Å; F194-F229 HydrophobicContact CD2-CD2 4.06Å; F194-F229 VanDerWaalsContact CE1-CA 3.5Å; F194-F229 HydrophobicContact CE1-CB 3.59Å; F194-F229 HydrophobicContact CE1-CD2 4.34Å; F194-F229 HydrophobicContact CE1-CG 4.49Å; F194-F229 HydrophobicContact CE2-CD2 4.21Å; F194-F229 HydrophobicContact CG-CD2 4.05Å; F194-F229 HydrophobicContact CZ-CB 4.1Å; F194-F229 HydrophobicContact CZ-CD2 4.34Å; L196-F229 HydrophobicContact CD1-CB 3.83Å; L196-F229 HydrophobicContact CD1-CD1 4.32Å; L196-F229 HydrophobicContact CD1-CD2 4.41Å; L196-F229 HydrophobicContact CD1-CG 3.94Å; L198-F229 HydrophobicContact CD1-CD1 3.7Å; L198-F229 HydrophobicContact CD1-CE1 3.48Å; L198-F229 VanDerWaalsContact CD1-CE1 3.48Å; L198-F229 HydrophobicContact CD1-CZ 4.31Å; L198-F229 HydrophobicContact CD2-CE1 3.7Å; L198-F229 HydrophobicContact CD2-CZ 3.82Å; L198-F229 HydrophobicContact CG-CE1 4.27Å; Y200-F229 HydrophobicContact CE2-CZ 4.02Å; Y200-F229 VanDerWaalsContact OH-CZ 3.31Å; Y200-F229 WeakPolarHBondContact OH-CZ 3.29Å; I206-F229 HydrophobicContact CD1-CE1 4.33Å; D225-F229 VanDerWaalsContact O-CB 3.26Å; D225-F229 WeakPolarHBondContact O-CB 3.5Å; D225-F229 PolarHBondContact O-N 2.97Å; V226-F229 PolarHBondContact O-N 2.95Å; V227-F229 PolarHBondContact O-N 3.09Å; F229-S232 PolarHBondContact O-N 3.5Å; F229-S232 PolarHBondContact O-OG 3.46Å; F229-S232 VanDerWaalsContact O-OG 3.09Å; F229-K233 HydrophobicContact CD2-CG 4.08Å; F229-K233 HydrophobicContact CE2-CG 3.82Å; F229-K233 HydrophobicContact CZ-CG 4.28Å; F229-K233 WeakPolarHBondContact O-CB 3.36Å; F229-K233 WeakPolarHBondContact O-CG 3.29Å; F229-K233 PolarHBondContact O-N 2.92Å
230	L	97.8	Very high	95.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-69.5	-37	-176.3	-67.3	177.2	0	0	0	112.5	I206 V226 V227 S232 H234 K235 Y238 I240 F254 A294	I206-L230 HydrophobicContact CD1-CD2 4.02Å; V226-L230 HydrophobicContact CG1-CD1 3.96Å; V226-L230 HydrophobicContact CG1-CG 4.38Å; V226-L230 WeakPolarHBondContact O-CB 3.44Å; V226-L230 WeakPolarHBondContact O-CG 3.47Å; V226-L230 PolarHBondContact O-N 3.37Å; V227-L230 PolarHBondContact O-N 2.89Å; L230-S232 VanDerWaalsContact C-N 3.35Å; L230-H234 CarbonylContact O-C 3.54Å; L230-H234 VanDerWaalsContact O-CA 3.3Å; L230-H234 WeakPolarHBondContact O-CA 3.23Å; L230-H234 PolarHBondContact O-N 3.42Å; L230-K235 PolarHBondContact O-N 3.23Å; L230-Y238 HydrophobicContact CB-CD1 3.59Å; L230-Y238 HydrophobicContact CB-CD2 4.24Å; L230-Y238 HydrophobicContact CB-CE1 3.58Å; L230-Y238 HydrophobicContact CB-CE2 4.23Å; L230-Y238 HydrophobicContact CB-CG 3.92Å; L230-Y238 HydrophobicContact CD1-CD2 3.94Å; L230-Y238 HydrophobicContact CD1-CE2 4.15Å; L230-Y238 HydrophobicContact CD1-CG 4.22Å; L230-Y238 HydrophobicContact CG-CG 4.47Å; L230-I240 HydrophobicContact CD1-CD1 3.48Å; L230-I240 VanDerWaalsContact CD1-CD1 3.48Å; L230-F254 HydrophobicContact CD1-CD1 4.41Å; L230-F254 HydrophobicContact CD1-CE1 4.17Å; L230-A294 HydrophobicContact CD1-CB 4.4Å
231	D	96.6	Very high	96.1	Very high	54 Å²	54	42.2 Å²	42.2	29%	0.289	21%	0.209	S	C	.	.	H	α-helix	trans	-73.4	-21.9	175.3	-74.5	-18.9	0	0	0	113.5	V227 K235 Y238	V227-D231 WeakPolarHBondContact CG1-OD2 3.4Å; V227-D231 WeakPolarHBondContact O-CB 3.36Å; V227-D231 PolarHBondContact O-N 3.46Å; D231-K235 VanDerWaalsContact O-CB 3.3Å; D231-K235 WeakPolarHBondContact O-CB 3.11Å; D231-Y238 WeakPolarHBondContact OD1-CE1 3.23Å; D231-Y238 PolarHBondContact OD1-OH 2.91Å
232	S	96.6	Very high	96.6	Very high	78 Å²	78	42.3 Å²	42.3	55%	0.545	21%	0.209	S	C	.	.	H	α-helix	trans	-90.6	-29.4	176	59.5	0	0	0	0	113.8	R228 F229 L230	R228-S232 VanDerWaalsContact O-CB 3.26Å; R228-S232 WeakPolarHBondContact O-CB 3.37Å; R228-S232 PolarHBondContact O-N 2.84Å; R228-S232 PolarHBondContact O-OG 3.29Å; F229-S232 PolarHBondContact O-N 3.5Å; F229-S232 PolarHBondContact O-OG 3.46Å; F229-S232 VanDerWaalsContact O-OG 3.09Å; L230-S232 VanDerWaalsContact C-N 3.35Å
233	K	96.8	Very high	97	Very high	81 Å²	81	40.4 Å²	40.4	35%	0.352	20%	0.199	S	C	.	.	H	α-helix	trans	-94.3	-40.7	177.9	-64	-70.7	-175.7	169.6	0	113.5	Y189 D192 F229	Y189-K233 PolarHBondContact OH-NZ 2.93Å; D192-K233 IonicContact OD2-NZ 2.67Å; D192-K233 PolarHBondContact OD2-NZ 3.17Å; F229-K233 HydrophobicContact CD2-CG 4.08Å; F229-K233 HydrophobicContact CE2-CG 3.82Å; F229-K233 HydrophobicContact CZ-CG 4.28Å; F229-K233 WeakPolarHBondContact O-CB 3.36Å; F229-K233 WeakPolarHBondContact O-CG 3.29Å; F229-K233 PolarHBondContact O-N 2.92Å
234	H	97.4	Very high	97.1	Very high	31 Å²	31	40.4 Å²	40.4	14%	0.144	20%	0.199	C	C	.	.	S	Bend	trans	-131.4	37.5	-166.9	-56.8	-52.9	0	0	0	112.1	Y200 L230 N236 H237 Y238 V292	Y200-H234 AromaticContact CE1-NE2 3.65Å; Y200-H234 AromaticContact CZ-NE2 3.69Å; Y200-H234 PolarHBondContact OH-NE2 2.98Å; L230-H234 CarbonylContact O-C 3.54Å; L230-H234 VanDerWaalsContact O-CA 3.3Å; L230-H234 WeakPolarHBondContact O-CA 3.23Å; L230-H234 PolarHBondContact O-N 3.42Å; H234-N236 PolarHBondContact O-N 2.87Å; H234-H237 WeakPolarHBondContact O-CA 3.38Å; H234-H237 PolarHBondContact O-N 3.42Å; H234-Y238 HydrophobicContact CB-CD1 4.28Å; H234-Y238 WeakPolarHBondContact O-CD1 3.46Å; H234-Y238 PolarHBondContact O-N 3.31Å; H234-V292 HydrophobicContact CB-CG2 4.45Å
235	K	97.1	Very high	97.1	Very high	143 Å²	143	38 Å²	38	62%	0.622	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47	123.9	-173.5	-167.4	177	179.8	178.7	0	111.7	L230 D231 H237	L230-K235 PolarHBondContact O-N 3.23Å; D231-K235 VanDerWaalsContact O-CB 3.3Å; D231-K235 WeakPolarHBondContact O-CB 3.11Å; K235-H237 PolarHBondContact O-CD2 3.18Å; K235-H237 PolarHBondContact O-N 3.17Å
236	N	96.3	Very high	97.1	Very high	106 Å²	106	39.5 Å²	39.5	57%	0.567	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.9	-8.8	-175.7	-57.8	-7.9	0	0	0	116.7	H234 R257	H234-N236 PolarHBondContact O-N 2.87Å; N236-R257 PolarHBondContact O-NH1 3.08Å
237	H	98	Very high	96.8	Very high	62 Å²	62	42.1 Å²	42.1	29%	0.287	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	8.6	-175.9	-62.3	-77	0	0	0	115	H234 K235 W284 D288 N290 H291 V292	H234-H237 WeakPolarHBondContact O-CA 3.38Å; H234-H237 PolarHBondContact O-N 3.42Å; K235-H237 PolarHBondContact O-CD2 3.18Å; K235-H237 PolarHBondContact O-N 3.17Å; H237-W284 WeakPolarHBondContact O-CZ2 2.96Å; H237-D288 IonicContact CE1-OD2 3.51Å; H237-D288 PolarHBondContact CE1-OD2 3.31Å; H237-D288 IonicContact ND1-OD2 2.66Å; H237-D288 PolarHBondContact ND1-OD2 3.18Å; H237-N290 HydrophobicContact CB-CB 4.39Å; H237-N290 WeakPolarHBondContact CB-O 3.41Å; H237-H291 AromaticContact ND1-CD2 3.65Å; H237-H291 AromaticContact ND1-NE2 3.98Å; H237-H291 CarbonylContact O-C 3.56Å; H237-H291 WeakPolarHBondContact O-CA 3.41Å; H237-V292 PolarHBondContact O-N 3.49Å
238	Y	98.6	Very high	96.6	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	149.7	172.8	67.2	-94.2	0	0	0	115.1	L230 D231 H234 I240 F254 R257 W284 V292	L230-Y238 HydrophobicContact CB-CD1 3.59Å; L230-Y238 HydrophobicContact CB-CD2 4.24Å; L230-Y238 HydrophobicContact CB-CE1 3.58Å; L230-Y238 HydrophobicContact CB-CE2 4.23Å; L230-Y238 HydrophobicContact CB-CG 3.92Å; L230-Y238 HydrophobicContact CD1-CD2 3.94Å; L230-Y238 HydrophobicContact CD1-CE2 4.15Å; L230-Y238 HydrophobicContact CD1-CG 4.22Å; L230-Y238 HydrophobicContact CG-CG 4.47Å; D231-Y238 WeakPolarHBondContact OD1-CE1 3.23Å; D231-Y238 PolarHBondContact OD1-OH 2.91Å; H234-Y238 HydrophobicContact CB-CD1 4.28Å; H234-Y238 WeakPolarHBondContact O-CD1 3.46Å; H234-Y238 PolarHBondContact O-N 3.31Å; Y238-I240 HydrophobicContact CD2-CD1 3.72Å; Y238-I240 HydrophobicContact CD2-CG1 4.38Å; Y238-I240 HydrophobicContact CE2-CD1 4.09Å; Y238-F254 HydrophobicContact CE2-CB 4.21Å; Y238-F254 AromaticContact CE2-CD1 3.96Å; Y238-F254 HydrophobicContact CE2-CD1 3.96Å; Y238-R257 PolarHBondContact O-NH1 3.46Å; Y238-R257 PolarHBondContact OH-NH2 3.09Å; Y238-W284 VanDerWaalsContact C-CZ2 3.45Å; Y238-V292 CarbonylContact C-O 3.56Å; Y238-V292 VanDerWaalsContact CA-O 3.28Å; Y238-V292 WeakPolarHBondContact CA-O 3.23Å
239	K	98.8	Very high	96.5	Very high	26 Å²	26	42 Å²	42	11%	0.113	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.8	165.8	179.4	177.5	167.9	-165.2	0	110.3	Y241 D280 W284 V292 A293 A294	K239-Y241 HydrophobicContact CB-CE2 4.19Å; K239-Y241 HydrophobicContact CD-CE2 4.03Å; K239-Y241 WeakPolarHBondContact CD-OH 3.4Å; K239-Y241 VanDerWaalsContact CE-OH 3.24Å; K239-Y241 WeakPolarHBondContact CE-OH 3.26Å; K239-Y241 HydrophobicContact CG-CE2 3.84Å; K239-Y241 PolarHBondContact NZ-OH 3.23Å; K239-D280 WeakPolarHBondContact CE-OD2 3.5Å; K239-D280 IonicContact NZ-OD1 3.28Å; K239-D280 PolarHBondContact NZ-OD1 3.15Å; K239-D280 IonicContact NZ-OD2 3.19Å; K239-D280 PolarHBondContact NZ-OD2 3.47Å; K239-W284 HydrophobicContact CB-CD2 3.7Å; K239-W284 HydrophobicContact CB-CE3 4.37Å; K239-W284 HydrophobicContact CB-CG 4Å; K239-W284 HydrophobicContact CB-CH2 4.43Å; K239-W284 HydrophobicContact CB-CZ2 3.76Å; K239-W284 HydrophobicContact CD-CB 4.05Å; K239-W284 HydrophobicContact CD-CD2 3.72Å; K239-W284 HydrophobicContact CD-CE3 4.02Å; K239-W284 HydrophobicContact CD-CG 3.72Å; K239-W284 HydrophobicContact CG-CD2 4.39Å; K239-V292 PolarHBondContact N-O 2.92Å; K239-A293 WeakPolarHBondContact O-CA 3.41Å; K239-A294 PolarHBondContact O-N 1.94Å
240	I	98.7	Very high	96.3	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	141.6	-178.6	-43.3	-58.1	0	0	0	110.1	M208 L230 Y238 Y249 F254 R257 V258 A259 A294	M208-I240 HydrophobicContact CE-CG2 4.06Å; L230-I240 HydrophobicContact CD1-CD1 3.48Å; L230-I240 VanDerWaalsContact CD1-CD1 3.48Å; Y238-I240 HydrophobicContact CD2-CD1 3.72Å; Y238-I240 HydrophobicContact CD2-CG1 4.38Å; Y238-I240 HydrophobicContact CE2-CD1 4.09Å; I240-Y249 WeakPolarHBondContact CG2-OH 3.39Å; I240-F254 HydrophobicContact CD1-CD1 3.86Å; I240-F254 HydrophobicContact CD1-CE1 4.17Å; I240-F254 HydrophobicContact CD1-CG 4.26Å; I240-F254 HydrophobicContact CG1-CB 3.9Å; I240-F254 HydrophobicContact CG1-CD1 3.86Å; I240-F254 HydrophobicContact CG1-CD2 4.2Å; I240-F254 HydrophobicContact CG1-CE1 4.43Å; I240-F254 HydrophobicContact CG1-CG 3.72Å; I240-R257 PolarHBondContact N-O 3.4Å; I240-V258 HydrophobicContact CB-CB 4.43Å; I240-V258 HydrophobicContact CB-CG1 4.23Å; I240-V258 HydrophobicContact CB-CG2 4.11Å; I240-V258 HydrophobicContact CG1-CG2 4.18Å; I240-V258 HydrophobicContact CG2-CG1 4.45Å; I240-V258 CarbonylContact O-C 3.52Å; I240-V258 WeakPolarHBondContact O-CA 3.39Å; I240-A259 PolarHBondContact O-N 3.3Å; I240-A294 WeakPolarHBondContact CA-O 3.46Å; I240-A294 HydrophobicContact CD1-CB 3.87Å
241	Y	98.8	Very high	96.2	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	108.9	173.8	-64.8	-103.7	0	0	0	109.5	K239 A259 Y261 F277 D280 L281 A293 A294 I295 H296	K239-Y241 HydrophobicContact CB-CE2 4.19Å; K239-Y241 HydrophobicContact CD-CE2 4.03Å; K239-Y241 WeakPolarHBondContact CD-OH 3.4Å; K239-Y241 VanDerWaalsContact CE-OH 3.24Å; K239-Y241 WeakPolarHBondContact CE-OH 3.26Å; K239-Y241 HydrophobicContact CG-CE2 3.84Å; K239-Y241 PolarHBondContact NZ-OH 3.23Å; Y241-A259 HydrophobicContact CD1-CB 3.95Å; Y241-A259 HydrophobicContact CE1-CB 4.09Å; Y241-Y261 HydrophobicContact CD1-CD2 4.2Å; Y241-Y261 HydrophobicContact CD1-CE2 4.11Å; Y241-Y261 HydrophobicContact CE1-CE2 4.34Å; Y241-F277 HydrophobicContact CD1-CD2 4.11Å; Y241-F277 AromaticContact CD1-CE2 3.69Å; Y241-F277 HydrophobicContact CD1-CE2 3.69Å; Y241-F277 HydrophobicContact CE1-CE2 4.46Å; Y241-F277 HydrophobicContact CG-CE2 4.12Å; Y241-D280 WeakPolarHBondContact CE1-OD2 3.46Å; Y241-D280 PolarHBondContact OH-O 3.37Å; Y241-D280 VanDerWaalsContact OH-O 3.09Å; Y241-L281 HydrophobicContact CD2-CD1 4.49Å; Y241-L281 HydrophobicContact CE1-CB 4.38Å; Y241-L281 HydrophobicContact CE1-CD1 4.49Å; Y241-L281 HydrophobicContact CE2-CD1 3.82Å; Y241-L281 WeakPolarHBondContact OH-CA 3.25Å; Y241-A293 HydrophobicContact CD2-CB 4.11Å; Y241-A293 HydrophobicContact CE2-CB 3.74Å; Y241-A294 PolarHBondContact N-O 2.59Å; Y241-I295 HydrophobicContact CD2-CG1 4.26Å; Y241-I295 HydrophobicContact CG-CG1 4.35Å; Y241-H296 PolarHBondContact O-CD2 3.45Å; Y241-H296 PolarHBondContact O-N 3.36Å
242	N	98.5	Very high	96.1	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	120	177.9	-174.8	13.9	0	0	0	110.9	C244 R247 A259 Y261 H296	N242-C244 VanDerWaalsContact OD1-CB 3.26Å; N242-C244 WeakPolarHBondContact OD1-CB 3.26Å; N242-C244 PolarHBondContact OD1-N 3.1Å; N242-R247 PolarHBondContact ND2-O 3.34Å; N242-R247 VanDerWaalsContact ND2-O 3.07Å; N242-A259 PolarHBondContact N-O 3.05Å; N242-Y261 PolarHBondContact O-N 3.47Å; N242-H296 WeakPolarHBondContact CA-NE2 3.44Å; N242-H296 WeakPolarHBondContact CB-NE2 3.44Å; N242-H296 PolarHBondContact OD1-CE1 3.23Å
243	L	98.6	Very high	96	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	3.9	176.5	-51.5	179.2	0	0	0	113.5	A245 Y261 F263 F277 I295 H296 C297 R303 M307	L243-A245 PolarHBondContact O-N 3.44Å; L243-Y261 WeakPolarHBondContact CA-O 3.43Å; L243-Y261 WeakPolarHBondContact CD2-O 3.46Å; L243-F263 HydrophobicContact CB-CD1 4.47Å; L243-F263 HydrophobicContact CB-CE1 4.13Å; L243-F263 HydrophobicContact CD1-CE1 4.23Å; L243-F263 HydrophobicContact CD2-CE1 4.33Å; L243-F263 HydrophobicContact CG-CE1 4.46Å; L243-F263 PolarHBondContact O-N 2.89Å; L243-F277 HydrophobicContact CD2-CD2 4.47Å; L243-F277 HydrophobicContact CD2-CE2 4.23Å; L243-I295 HydrophobicContact CD1-CG2 3.8Å; L243-I295 HydrophobicContact CD2-CG2 4.5Å; L243-I295 HydrophobicContact CG-CG2 4.14Å; L243-H296 WeakPolarHBondContact CB-O 3.43Å; L243-H296 WeakPolarHBondContact CG-O 3.31Å; L243-H296 PolarHBondContact N-O 3.22Å; L243-C297 HydrophobicContact CB-CB 4.24Å; L243-R303 HydrophobicContact CD1-CB 4.36Å; L243-R303 PolarHBondContact O-NH1 2.93Å; L243-M307 HydrophobicContact CD1-CB 4.16Å; L243-M307 HydrophobicContact CD1-CG 3.6Å; L243-M307 HydrophobicContact CD2-CG 3.95Å; L243-M307 HydrophobicContact CG-CG 4.43Å
244	C	96.8	Very high	95.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	111	-179.5	-67.2	0	0	0	0	112.5	N242 E246 R247 C297 K298	N242-C244 VanDerWaalsContact OD1-CB 3.26Å; N242-C244 WeakPolarHBondContact OD1-CB 3.26Å; N242-C244 PolarHBondContact OD1-N 3.1Å; C244-E246 WeakPolarHBondContact CA-OE2 3.33Å; C244-E246 WeakPolarHBondContact CB-OE2 3.23Å; C244-R247 HydrophobicContact CB-CB 3.81Å; C244-R247 VanDerWaalsContact CB-O 3.27Å; C244-R247 WeakPolarHBondContact CB-O 3.35Å; C244-C297 VanDerWaalsContact SG-CA 3.59Å; C244-K298 PolarHBondContact SG-N 3.33Å
245	A	94.7	Very high	95.7	Very high	33 Å²	33	46.2 Å²	46.2	27%	0.273	24%	0.236	S	C	.	.	S	Bend	trans	-67.3	-26.9	163.3	0	0	0	0	0	112.6	L243 P262	L243-A245 PolarHBondContact O-N 3.44Å; A245-P262 HydrophobicContact CB-CB 3.96Å
246	E	93.3	Very high	95.5	Very high	71 Å²	71	43.7 Å²	43.7	33%	0.332	24%	0.235	S	C	.	.	S	Bend	trans	-97.1	-6.2	-171.1	80.5	-75.9	-164.9	0	0	114.6	C244 R303	C244-E246 WeakPolarHBondContact CA-OE2 3.33Å; C244-E246 WeakPolarHBondContact CB-OE2 3.23Å; E246-R303 IonicContact OE1-CZ 2.71Å; E246-R303 IonicContact OE1-NH1 3.48Å; E246-R303 IonicContact OE1-NH2 3.44Å; E246-R303 PolarHBondContact OE1-NH2 3Å; E246-R303 IonicContact OE2-CZ 2.7Å; E246-R303 IonicContact OE2-NH1 2.84Å; E246-R303 PolarHBondContact OE2-NH1 2.92Å; E246-R303 IonicContact OE2-NH2 3.64Å; E246-R303 PolarHBondContact OE2-NH2 3.21Å
247	R	89.5	Confident	95.4	Very high	55 Å²	55	41.2 Å²	41.2	21%	0.208	22%	0.218	C	C	.	.			trans	-153	127.9	-163.7	-91.7	157.8	178.3	-91.5	-7.4	113.6	F210 E216 N242 C244	F210-R247 HydrophobicContact CD2-CB 4.35Å; F210-R247 HydrophobicContact CE2-CB 3.64Å; F210-R247 HydrophobicContact CE2-CG 4.47Å; F210-R247 HydrophobicContact CZ-CB 3.78Å; F210-R247 HydrophobicContact CZ-CG 4.25Å; E216-R247 IonicContact OE1-CZ 2.73Å; E216-R247 IonicContact OE1-NH1 3.01Å; E216-R247 IonicContact OE1-NH2 2.71Å; E216-R247 PolarHBondContact OE1-NH2 2.97Å; E216-R247 IonicContact OE2-CZ 3.4Å; E216-R247 IonicContact OE2-NH1 3.32Å; E216-R247 PolarHBondContact OE2-NH1 2.91Å; E216-R247 IonicContact OE2-NH2 3.22Å; E216-R247 PolarHBondContact OE2-NH2 3.18Å; N242-R247 PolarHBondContact ND2-O 3.34Å; N242-R247 VanDerWaalsContact ND2-O 3.07Å; C244-R247 HydrophobicContact CB-CB 3.81Å; C244-R247 VanDerWaalsContact CB-O 3.27Å; C244-R247 WeakPolarHBondContact CB-O 3.35Å
248	H	92.4	Very high	95.4	Very high	117 Å²	117	39.4 Å²	39.4	54%	0.542	21%	0.211	S	C	.	.			trans	-131	173.4	175.2	-47.8	-34.8	0	0	0	110.2
249	Y	93.1	Very high	95.4	Very high	22 Å²	22	40.3 Å²	40.3	9%	0.086	22%	0.218	C	C	.	.			trans	-152.3	168.4	177.8	46.4	-103.3	0	0	0	108.4	F210 P211 I223 I240 T251 F254 V258 H296	F210-Y249 AromaticContact CE2-CD1 3.71Å; F210-Y249 HydrophobicContact CE2-CD1 3.71Å; F210-Y249 AromaticContact CE2-CE1 3.93Å; F210-Y249 HydrophobicContact CE2-CE1 3.93Å; F210-Y249 AromaticContact CZ-CD1 3.71Å; F210-Y249 HydrophobicContact CZ-CD1 3.71Å; F210-Y249 HydrophobicContact CZ-CE1 4.39Å; P211-Y249 HydrophobicContact CG-CD1 3.96Å; P211-Y249 HydrophobicContact CG-CE1 3.57Å; I223-Y249 HydrophobicContact CD1-CD2 3.99Å; I223-Y249 HydrophobicContact CD1-CG 3.93Å; I240-Y249 WeakPolarHBondContact CG2-OH 3.39Å; Y249-T251 PolarHBondContact O-N 2.94Å; Y249-F254 HydrophobicContact CD2-CD2 4.19Å; Y249-F254 AromaticContact CD2-CE2 3.96Å; Y249-F254 HydrophobicContact CD2-CE2 3.96Å; Y249-F254 AromaticContact CE2-CD2 3.67Å; Y249-F254 HydrophobicContact CE2-CD2 3.67Å; Y249-F254 AromaticContact CE2-CE2 3.57Å; Y249-F254 HydrophobicContact CE2-CE2 3.57Å; Y249-V258 HydrophobicContact CE2-CG1 4.24Å; Y249-V258 HydrophobicContact CE2-CG2 4.35Å; Y249-H296 AromaticContact CE1-CE1 3.27Å; Y249-H296 WeakPolarHBondContact CE1-CE1 3.27Å; Y249-H296 AromaticContact CE1-NE2 2.97Å; Y249-H296 WeakPolarHBondContact CE1-NE2 3.32Å; Y249-H296 AromaticContact CZ-NE2 2.82Å; Y249-H296 PolarHBondContact OH-NE2 2.68Å
250	D	93.8	Very high	95.4	Very high	82 Å²	82	43.6 Å²	43.6	44%	0.439	23%	0.234	S	C	.	.			trans	-61.7	116.7	174	177.9	16.8	0	0	0	111.9	E213 A252 K253	E213-D250 PolarHBondContact OE1-N 3.27Å; D250-A252 VanDerWaalsContact C-N 3.32Å; D250-A252 VanDerWaalsContact OD1-CB 3.24Å; D250-A252 WeakPolarHBondContact OD1-CB 3.37Å; D250-A252 PolarHBondContact OD1-N 3.15Å; D250-K253 HydrophobicContact CB-CG 4.43Å
251	T	95.4	Very high	95.4	Very high	49 Å²	49	45.2 Å²	45.2	30%	0.301	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-76.9	-17.7	-179.5	60.6	0	0	0	0	113	Y249 K253 F254 C256 V258	Y249-T251 PolarHBondContact O-N 2.94Å; T251-K253 PolarHBondContact O-N 2.87Å; T251-F254 PolarHBondContact O-N 3.28Å; T251-F254 VanDerWaalsContact O-N 3.07Å; T251-C256 WeakPolarHBondContact O-CA 3.43Å; T251-C256 PolarHBondContact O-N 3.33Å; T251-C256 VanDerWaalsContact O-N 3.08Å; T251-V258 HydrophobicContact CG2-CB 3.8Å; T251-V258 HydrophobicContact CG2-CG1 4.08Å; T251-V258 HydrophobicContact CG2-CG2 3.9Å
252	A	95.5	Very high	95.3	Very high	53 Å²	53	48.1 Å²	48.1	44%	0.438	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-61.5	-32.1	175.3	0	0	0	0	0	111.4	D250 F254 N255	D250-A252 VanDerWaalsContact C-N 3.32Å; D250-A252 VanDerWaalsContact OD1-CB 3.24Å; D250-A252 WeakPolarHBondContact OD1-CB 3.37Å; D250-A252 PolarHBondContact OD1-N 3.15Å; A252-F254 PolarHBondContact O-N 2.96Å; A252-F254 VanDerWaalsContact O-N 3.09Å; A252-N255 PolarHBondContact O-N 3.15Å
253	K	93.8	Very high	95.3	Very high	63 Å²	63	48.5 Å²	48.5	27%	0.274	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-56.4	-23	173.3	-70.6	-162.2	170.2	-157.8	0	114.7	I223 D224 V227 D250 T251	I223-K253 HydrophobicContact CD1-CB 4.49Å; I223-K253 HydrophobicContact CD1-CD 3.85Å; I223-K253 HydrophobicContact CG1-CD 3.96Å; I223-K253 HydrophobicContact CG2-CD 4.16Å; D224-K253 IonicContact OD1-NZ 2.93Å; D224-K253 PolarHBondContact OD1-NZ 2.81Å; D224-K253 IonicContact OD2-NZ 2.68Å; V227-K253 HydrophobicContact CG2-CB 4.19Å; V227-K253 VanDerWaalsContact CG2-O 3.23Å; V227-K253 WeakPolarHBondContact CG2-O 3.4Å; D250-K253 HydrophobicContact CB-CG 4.43Å; T251-K253 PolarHBondContact O-N 2.87Å
254	F	95.8	Very high	95.2	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-107.9	23.4	178.1	-67.2	-68.9	0	0	0	112.7	P211 I223 V226 V227 L230 Y238 I240 Y249 T251 A252 C256 R257 V258	P211-F254 HydrophobicContact CB-CE2 4.47Å; P211-F254 HydrophobicContact CB-CZ 4.04Å; P211-F254 HydrophobicContact CG-CE2 4.2Å; P211-F254 HydrophobicContact CG-CZ 4.12Å; I223-F254 HydrophobicContact CD1-CE2 3.72Å; I223-F254 HydrophobicContact CD1-CZ 4.19Å; I223-F254 HydrophobicContact CG1-CE2 3.92Å; I223-F254 HydrophobicContact CG1-CZ 3.86Å; V226-F254 HydrophobicContact CG1-CE1 4.02Å; V226-F254 HydrophobicContact CG1-CZ 4.19Å; V227-F254 HydrophobicContact CG2-CD1 3.83Å; V227-F254 HydrophobicContact CG2-CE1 3.52Å; V227-F254 HydrophobicContact CG2-CZ 3.99Å; L230-F254 HydrophobicContact CD1-CD1 4.41Å; L230-F254 HydrophobicContact CD1-CE1 4.17Å; Y238-F254 HydrophobicContact CE2-CB 4.21Å; Y238-F254 AromaticContact CE2-CD1 3.96Å; Y238-F254 HydrophobicContact CE2-CD1 3.96Å; I240-F254 HydrophobicContact CD1-CD1 3.86Å; I240-F254 HydrophobicContact CD1-CE1 4.17Å; I240-F254 HydrophobicContact CD1-CG 4.26Å; I240-F254 HydrophobicContact CG1-CB 3.9Å; I240-F254 HydrophobicContact CG1-CD1 3.86Å; I240-F254 HydrophobicContact CG1-CD2 4.2Å; I240-F254 HydrophobicContact CG1-CE1 4.43Å; I240-F254 HydrophobicContact CG1-CG 3.72Å; Y249-F254 HydrophobicContact CD2-CD2 4.19Å; Y249-F254 AromaticContact CD2-CE2 3.96Å; Y249-F254 HydrophobicContact CD2-CE2 3.96Å; Y249-F254 AromaticContact CE2-CD2 3.67Å; Y249-F254 HydrophobicContact CE2-CD2 3.67Å; Y249-F254 AromaticContact CE2-CE2 3.57Å; Y249-F254 HydrophobicContact CE2-CE2 3.57Å; T251-F254 PolarHBondContact O-N 3.28Å; T251-F254 VanDerWaalsContact O-N 3.07Å; A252-F254 PolarHBondContact O-N 2.96Å; A252-F254 VanDerWaalsContact O-N 3.09Å; F254-C256 VanDerWaalsContact C-N 3.25Å; F254-C256 PolarHBondContact O-N 3.37Å; F254-R257 PolarHBondContact O-N 3.05Å; F254-R257 PolarHBondContact O-NH2 3.09Å; F254-V258 HydrophobicContact CB-CG2 3.82Å; F254-V258 HydrophobicContact CD2-CG2 4.18Å; F254-V258 HydrophobicContact CG-CG2 4.38Å
255	N	92.4	Very high	94.9	Very high	85 Å²	85	54.1 Å²	54.1	46%	0.455	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	41.2	-173.2	-52.5	-45.2	0	0	0	111.7	A252 R257	A252-N255 PolarHBondContact O-N 3.15Å; N255-R257 PolarHBondContact ND2-NH2 2.79Å; N255-R257 PolarHBondContact O-N 2.64Å
256	C	92	Very high	94.8	Very high	90 Å²	90	58.2 Å²	58.2	61%	0.608	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.8	3.9	-178.9	-59.6	0	0	0	0	117	T251 F254 V258	T251-C256 WeakPolarHBondContact O-CA 3.43Å; T251-C256 PolarHBondContact O-N 3.33Å; T251-C256 VanDerWaalsContact O-N 3.08Å; F254-C256 VanDerWaalsContact C-N 3.25Å; F254-C256 PolarHBondContact O-N 3.37Å; C256-V258 PolarHBondContact O-N 3.26Å
257	R	94.8	Very high	95	Very high	53 Å²	53	56.2 Å²	56.2	20%	0.2	29%	0.293	C	S	.	.			trans	-83	62.9	-179.3	-69.1	166.7	-64.3	138.3	20.8	111.5	N236 Y238 I240 F254 N255	N236-R257 PolarHBondContact O-NH1 3.08Å; Y238-R257 PolarHBondContact O-NH1 3.46Å; Y238-R257 PolarHBondContact OH-NH2 3.09Å; I240-R257 PolarHBondContact N-O 3.4Å; F254-R257 PolarHBondContact O-N 3.05Å; F254-R257 PolarHBondContact O-NH2 3.09Å; N255-R257 PolarHBondContact ND2-NH2 2.79Å; N255-R257 PolarHBondContact O-N 2.64Å
258	V	98.1	Very high	95.4	Very high	25 Å²	25	54 Å²	54	15%	0.152	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	108	-178.7	-172	0	0	0	0	110.4	I240 Y249 T251 F254 C256	I240-V258 HydrophobicContact CB-CB 4.43Å; I240-V258 HydrophobicContact CB-CG1 4.23Å; I240-V258 HydrophobicContact CB-CG2 4.11Å; I240-V258 HydrophobicContact CG1-CG2 4.18Å; I240-V258 HydrophobicContact CG2-CG1 4.45Å; I240-V258 CarbonylContact O-C 3.52Å; I240-V258 WeakPolarHBondContact O-CA 3.39Å; Y249-V258 HydrophobicContact CE2-CG1 4.24Å; Y249-V258 HydrophobicContact CE2-CG2 4.35Å; T251-V258 HydrophobicContact CG2-CB 3.8Å; T251-V258 HydrophobicContact CG2-CG1 4.08Å; T251-V258 HydrophobicContact CG2-CG2 3.9Å; F254-V258 HydrophobicContact CB-CG2 3.82Å; F254-V258 HydrophobicContact CD2-CG2 4.18Å; F254-V258 HydrophobicContact CG-CG2 4.38Å; C256-V258 PolarHBondContact O-N 3.26Å
259	A	98.4	Very high	95.6	Very high	18 Å²	18	48.5 Å²	48.5	15%	0.149	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	152.7	168.7	0	0	0	0	0	110.7	I240 Y241 N242 Y261	I240-A259 PolarHBondContact O-N 3.3Å; Y241-A259 HydrophobicContact CD1-CB 3.95Å; Y241-A259 HydrophobicContact CE1-CB 4.09Å; N242-A259 PolarHBondContact N-O 3.05Å; A259-Y261 HydrophobicContact CB-CD2 4.42Å; A259-Y261 HydrophobicContact CB-CE2 3.96Å
260	Q	98.4	Very high	95.9	Very high	95 Å²	95	52.3 Å²	52.3	44%	0.444	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	121.6	-177.3	-56.1	-167.9	37.9	0	0	110.6	P262	Q260-P262 VanDerWaalsContact C-CD 3.45Å
261	Y	98.6	Very high	96.1	Very high	35 Å²	35	48.6 Å²	48.6	14%	0.137	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	67.4	174.7	-68.6	-93.5	0	0	0	108.6	Y241 N242 L243 A259 L273 P276 F277 D280	Y241-Y261 HydrophobicContact CD1-CD2 4.2Å; Y241-Y261 HydrophobicContact CD1-CE2 4.11Å; Y241-Y261 HydrophobicContact CE1-CE2 4.34Å; N242-Y261 PolarHBondContact O-N 3.47Å; L243-Y261 WeakPolarHBondContact CA-O 3.43Å; L243-Y261 WeakPolarHBondContact CD2-O 3.46Å; A259-Y261 HydrophobicContact CB-CD2 4.42Å; A259-Y261 HydrophobicContact CB-CE2 3.96Å; Y261-L273 HydrophobicContact CD1-CD1 3.8Å; Y261-L273 HydrophobicContact CD1-CG 4.21Å; Y261-P276 HydrophobicContact CE1-CB 4.37Å; Y261-P276 PolarHBondContact OH-O 3.16Å; Y261-F277 HydrophobicContact CD1-CB 3.75Å; Y261-F277 HydrophobicContact CD1-CD2 4.32Å; Y261-F277 AromaticContact CD2-CD2 3.72Å; Y261-F277 HydrophobicContact CD2-CD2 3.72Å; Y261-F277 HydrophobicContact CE1-CB 3.86Å; Y261-F277 HydrophobicContact CE2-CD2 4.16Å; Y261-F277 HydrophobicContact CG-CB 4.12Å; Y261-F277 AromaticContact CG-CD2 3.81Å; Y261-F277 HydrophobicContact CG-CD2 3.81Å; Y261-F277 HydrophobicContact CG-CG 4.46Å; Y261-D280 WeakPolarHBondContact OH-CB 3.36Å; Y261-D280 PolarHBondContact OH-OD2 3.31Å
262	P	98	Very high	96.2	Very high	61 Å²	61	51.8 Å²	51.8	40%	0.396	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	132.9	-167.3	28.3	-34.6	0	0	0	112.9	A245 Q260	A245-P262 HydrophobicContact CB-CB 3.96Å; Q260-P262 VanDerWaalsContact C-CD 3.45Å
263	F	97.9	Very high	96.3	Very high	11 Å²	11	51.1 Å²	51.1	5%	0.048	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	159.9	164.9	62.2	-81	0	0	0	112.7	L243 N267 P268 P269 L273 R303 M307	L243-F263 HydrophobicContact CB-CD1 4.47Å; L243-F263 HydrophobicContact CB-CE1 4.13Å; L243-F263 HydrophobicContact CD1-CE1 4.23Å; L243-F263 HydrophobicContact CD2-CE1 4.33Å; L243-F263 HydrophobicContact CG-CE1 4.46Å; L243-F263 PolarHBondContact O-N 2.89Å; F263-N267 WeakPolarHBondContact CE2-O 3.47Å; F263-P268 VanDerWaalsContact CD2-C 3.41Å; F263-P268 WeakPolarHBondContact CD2-O 3.45Å; F263-P269 HydrophobicContact CB-CB 4.41Å; F263-P269 HydrophobicContact CD1-CB 3.87Å; F263-P269 HydrophobicContact CD2-CB 4Å; F263-P269 VanDerWaalsContact CD2-N 3.29Å; F263-P269 HydrophobicContact CE1-CB 3.95Å; F263-P269 HydrophobicContact CE2-CB 4.03Å; F263-P269 HydrophobicContact CE2-CG 4.33Å; F263-P269 VanDerWaalsContact CE2-N 3.33Å; F263-P269 HydrophobicContact CG-CB 3.89Å; F263-P269 HydrophobicContact CZ-CB 4Å; F263-P269 HydrophobicContact CZ-CG 4.27Å; F263-L273 HydrophobicContact CB-CD2 4.44Å; F263-L273 HydrophobicContact CD1-CD2 4.09Å; F263-R303 HydrophobicContact CD2-CG 3.93Å; F263-R303 HydrophobicContact CE1-CB 4.15Å; F263-R303 HydrophobicContact CE2-CB 3.7Å; F263-R303 HydrophobicContact CE2-CG 3.43Å; F263-R303 VanDerWaalsContact CE2-CG 3.43Å; F263-R303 HydrophobicContact CZ-CB 3.49Å; F263-R303 VanDerWaalsContact CZ-CB 3.49Å; F263-R303 HydrophobicContact CZ-CG 3.81Å; F263-R303 WeakPolarHBondContact O-CD 3.48Å; F263-R303 PolarHBondContact O-NH1 3.48Å; F263-M307 HydrophobicContact CE1-CG 3.8Å; F263-M307 HydrophobicContact CE1-SD 3.71Å; F263-M307 HydrophobicContact CZ-CG 4.06Å; F263-M307 HydrophobicContact CZ-SD 3.95Å
264	E	96.2	Very high	96.6	Very high	75 Å²	75	48.1 Å²	48.1	35%	0.35	25%	0.247	S	C	.	.			trans	-65.3	141.8	-168	-59.5	-56.5	156.1	0	0	113.3	N267 K394	E264-N267 HydrophobicContact CB-CB 4.15Å; E264-N267 PolarHBondContact O-N 3.47Å; E264-N267 VanDerWaalsContact O-N 3.17Å; E264-K394 WeakPolarHBondContact OE1-CE 3.48Å; E264-K394 IonicContact OE1-NZ 2.68Å; E264-K394 PolarHBondContact OE1-NZ 3.18Å
265	D	91.3	Very high	96.7	Very high	44 Å²	44	52.4 Å²	52.4	24%	0.235	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	141.6	-178.9	-154.9	30.2	0	0	0	111.3	N267 K298 R303	D265-N267 PolarHBondContact O-N 2.95Å; D265-N267 VanDerWaalsContact O-N 3.11Å; D265-N267 PolarHBondContact O-ND2 2.85Å; D265-K298 IonicContact OD2-NZ 2.68Å; D265-R303 IonicContact OD1-CZ 2.87Å; D265-R303 IonicContact OD1-NE 3.48Å; D265-R303 PolarHBondContact OD1-NE 2.91Å; D265-R303 IonicContact OD1-NH2 2.79Å; D265-R303 PolarHBondContact OD1-NH2 3.19Å; D265-R303 IonicContact OD2-NH2 2.64Å
266	H	92.3	Very high	97	Very high	119 Å²	119	51.2 Å²	51.2	55%	0.551	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	3.1	-174.1	-54.7	81.5	0	0	0	117.1	I341	H266-I341 HydrophobicContact CB-CD1 3.84Å; H266-I341 WeakPolarHBondContact O-CD1 3.1Å
267	N	96.4	Very high	97.3	Very high	28 Å²	28	47 Å²	47	15%	0.15	23%	0.234	C	C	.	.	S	Bend	trans	-102.5	162.9	174.8	-64.5	-88.3	0	0	0	110.8	F263 E264 D265 Q344 W447	F263-N267 WeakPolarHBondContact CE2-O 3.47Å; E264-N267 HydrophobicContact CB-CB 4.15Å; E264-N267 PolarHBondContact O-N 3.47Å; E264-N267 VanDerWaalsContact O-N 3.17Å; D265-N267 PolarHBondContact O-N 2.95Å; D265-N267 VanDerWaalsContact O-N 3.11Å; D265-N267 PolarHBondContact O-ND2 2.85Å; N267-Q344 WeakPolarHBondContact O-CG 3.43Å; N267-Q344 PolarHBondContact O-NE2 3.38Å; N267-W447 HydrophobicContact CB-CZ2 4.42Å; N267-W447 PolarHBondContact OD1-NE1 2.7Å
268	P	98	Very high	97.5	Very high	8 Å²	8	44.4 Å²	44.4	5%	0.052	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-67.4	165.6	162.1	31.6	-35.3	0	0	0	111.4	F263 Y347 W447	F263-P268 VanDerWaalsContact CD2-C 3.41Å; F263-P268 WeakPolarHBondContact CD2-O 3.45Å; P268-Y347 HydrophobicContact CB-CD1 3.74Å; P268-Y347 HydrophobicContact CB-CD2 3.64Å; P268-Y347 HydrophobicContact CB-CE1 4Å; P268-Y347 HydrophobicContact CB-CE2 3.93Å; P268-Y347 HydrophobicContact CB-CG 3.53Å; P268-Y347 HydrophobicContact CG-CD1 4.36Å; P268-Y347 HydrophobicContact CG-CD2 3.96Å; P268-Y347 HydrophobicContact CG-CE1 4.13Å; P268-Y347 HydrophobicContact CG-CE2 3.73Å; P268-Y347 HydrophobicContact CG-CG 4.27Å; P268-W447 HydrophobicContact CG-CB 3.74Å; P268-W447 HydrophobicContact CG-CD2 4.03Å; P268-W447 HydrophobicContact CG-CG 3.62Å
269	P	98.3	Very high	97.6	Very high	3 Å²	3	47 Å²	47	2%	0.019	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-68.3	169.1	163.9	34	-37.2	0	0	0	110.1	F263 L273 I274 V306 M307 Y347	F263-P269 HydrophobicContact CB-CB 4.41Å; F263-P269 HydrophobicContact CD1-CB 3.87Å; F263-P269 HydrophobicContact CD2-CB 4Å; F263-P269 VanDerWaalsContact CD2-N 3.29Å; F263-P269 HydrophobicContact CE1-CB 3.95Å; F263-P269 HydrophobicContact CE2-CB 4.03Å; F263-P269 HydrophobicContact CE2-CG 4.33Å; F263-P269 VanDerWaalsContact CE2-N 3.33Å; F263-P269 HydrophobicContact CG-CB 3.89Å; F263-P269 HydrophobicContact CZ-CB 4Å; F263-P269 HydrophobicContact CZ-CG 4.27Å; P269-L273 HydrophobicContact CB-CB 4.39Å; P269-L273 HydrophobicContact CB-CD2 4.01Å; P269-I274 HydrophobicContact CG-CD1 3.96Å; P269-I274 HydrophobicContact CG-CG1 3.81Å; P269-V306 HydrophobicContact CG-CG1 4.01Å; P269-M307 HydrophobicContact CB-SD 4.12Å; P269-M307 HydrophobicContact CG-SD 3.93Å; P269-Y347 VanDerWaalsContact O-CD1 3.27Å; P269-Y347 WeakPolarHBondContact O-CD1 3.43Å; P269-Y347 WeakPolarHBondContact O-CE1 3.43Å
270	Q	98.2	Very high	97.6	Very high	101 Å²	101	48.2 Å²	48.2	47%	0.472	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-63.2	143.8	157.3	-70.1	172.8	0	0	0	108.7	E272 L273 L393 D425	Q270-E272 VanDerWaalsContact C-N 3.31Å; Q270-E272 PolarHBondContact O-N 3.49Å; Q270-L273 HydrophobicContact CB-CB 4.38Å; Q270-L273 VanDerWaalsContact O-CB 3.26Å; Q270-L273 WeakPolarHBondContact O-CB 3.46Å; Q270-L273 PolarHBondContact O-N 3.28Å; Q270-L273 VanDerWaalsContact O-N 3.1Å; Q270-L393 HydrophobicContact CG-CD2 4.26Å; Q270-D425 WeakPolarHBondContact CA-OD2 3.44Å
271	L	97.9	Very high	97.6	Very high	5 Å²	5	43.7 Å²	43.7	3%	0.026	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-61.1	-41.8	-176	-170.8	81.6	0	0	0	112	L273 I274 Y347 Y350 L354 Y361 D425 F452	L271-L273 PolarHBondContact O-N 2.77Å; L271-I274 HydrophobicContact CD1-CD1 4.21Å; L271-I274 WeakPolarHBondContact O-CB 3.42Å; L271-I274 WeakPolarHBondContact O-CG1 3.35Å; L271-I274 PolarHBondContact O-N 2.96Å; L271-I274 VanDerWaalsContact O-N 3.15Å; L271-Y347 HydrophobicContact CB-CE1 4.38Å; L271-Y347 HydrophobicContact CD1-CD1 4.22Å; L271-Y350 HydrophobicContact CD1-CD2 4.18Å; L271-Y350 HydrophobicContact CD1-CG 4.45Å; L271-L354 HydrophobicContact CD2-CD1 4.26Å; L271-Y361 HydrophobicContact CD2-CD1 4.37Å; L271-Y361 HydrophobicContact CD2-CD2 3.29Å; L271-Y361 HydrophobicContact CD2-CE1 4.46Å; L271-Y361 HydrophobicContact CD2-CE2 3.38Å; L271-Y361 HydrophobicContact CD2-CG 3.81Å; L271-D425 PolarHBondContact N-OD2 3.25Å; L271-F452 HydrophobicContact CD1-CE2 4.24Å; L271-F452 HydrophobicContact CD1-CZ 4.37Å; L271-F452 HydrophobicContact CD2-CE2 3.65Å; L271-F452 HydrophobicContact CD2-CZ 3.95Å
272	E	97.5	Very high	97.6	Very high	116 Å²	116	43.3 Å²	43.3	54%	0.542	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-61.6	-25.1	177.9	-68.7	177.8	-142.5	0	0	113.2	Q270 I274 P276 Y361	Q270-E272 VanDerWaalsContact C-N 3.31Å; Q270-E272 PolarHBondContact O-N 3.49Å; E272-I274 PolarHBondContact O-N 3.06Å; E272-P276 WeakPolarHBondContact O-CD 3.33Å; E272-Y361 HydrophobicContact CG-CD1 3.66Å; E272-Y361 HydrophobicContact CG-CE1 3.72Å; E272-Y361 WeakPolarHBondContact OE1-CE1 3.47Å
273	L	98.6	Very high	97.6	Very high	38 Å²	38	45.4 Å²	45.4	20%	0.199	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-68.1	-20.8	178.3	-167	68.2	0	0	0	112.6	Y261 F263 P269 Q270 L271 F277	Y261-L273 HydrophobicContact CD1-CD1 3.8Å; Y261-L273 HydrophobicContact CD1-CG 4.21Å; F263-L273 HydrophobicContact CB-CD2 4.44Å; F263-L273 HydrophobicContact CD1-CD2 4.09Å; P269-L273 HydrophobicContact CB-CB 4.39Å; P269-L273 HydrophobicContact CB-CD2 4.01Å; Q270-L273 HydrophobicContact CB-CB 4.38Å; Q270-L273 VanDerWaalsContact O-CB 3.26Å; Q270-L273 WeakPolarHBondContact O-CB 3.46Å; Q270-L273 PolarHBondContact O-N 3.28Å; Q270-L273 VanDerWaalsContact O-N 3.1Å; L271-L273 PolarHBondContact O-N 2.77Å; L273-F277 WeakPolarHBondContact O-CB 3.35Å; L273-F277 PolarHBondContact O-N 2.95Å
274	I	98.8	Very high	97.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-74.6	-44.7	-171.5	-54.8	177.1	0	0	0	111.8	P269 L271 E272 F277 C278 A310 Y351	P269-I274 HydrophobicContact CG-CD1 3.96Å; P269-I274 HydrophobicContact CG-CG1 3.81Å; L271-I274 HydrophobicContact CD1-CD1 4.21Å; L271-I274 WeakPolarHBondContact O-CB 3.42Å; L271-I274 WeakPolarHBondContact O-CG1 3.35Å; L271-I274 PolarHBondContact O-N 2.96Å; L271-I274 VanDerWaalsContact O-N 3.15Å; E272-I274 PolarHBondContact O-N 3.06Å; I274-F277 PolarHBondContact O-N 2.63Å; I274-C278 PolarHBondContact O-N 3.48Å; I274-C278 PolarHBondContact O-SG 3.34Å; I274-A310 HydrophobicContact CG2-CB 3.43Å; I274-A310 VanDerWaalsContact CG2-CB 3.43Å; I274-Y351 HydrophobicContact CB-CD2 4.05Å; I274-Y351 HydrophobicContact CB-CE2 4.22Å; I274-Y351 HydrophobicContact CB-CG 4.45Å; I274-Y351 HydrophobicContact CG2-CD1 3.75Å; I274-Y351 HydrophobicContact CG2-CD2 3.62Å; I274-Y351 HydrophobicContact CG2-CE1 3.87Å; I274-Y351 HydrophobicContact CG2-CE2 3.8Å; I274-Y351 HydrophobicContact CG2-CG 3.61Å
275	K	98.6	Very high	97.8	Very high	90 Å²	90	43.5 Å²	43.5	39%	0.391	21%	0.213	S	C	.	.	H	α-helix	trans	-65.4	-50.9	-176.5	173.5	172.5	163.3	66.7	0	112.5	F277 C278 E279 Y351	K275-F277 VanDerWaalsContact C-N 3.29Å; K275-F277 PolarHBondContact O-N 3.24Å; K275-C278 PolarHBondContact O-N 2.75Å; K275-C278 VanDerWaalsContact O-N 3.08Å; K275-E279 WeakPolarHBondContact CE-OE1 3.25Å; K275-E279 VanDerWaalsContact CG-OE1 3.3Å; K275-E279 WeakPolarHBondContact CG-OE1 3.36Å; K275-E279 IonicContact NZ-OE1 3.07Å; K275-E279 PolarHBondContact NZ-OE1 2.86Å; K275-E279 WeakPolarHBondContact O-CG 3.2Å; K275-E279 PolarHBondContact O-N 3.12Å; K275-Y351 HydrophobicContact CB-CE2 4.1Å
276	P	98.8	Very high	98.1	Very high	61 Å²	61	44.6 Å²	44.6	40%	0.396	22%	0.224	S	C	.	.	H	α-helix	trans	-64.3	-29.9	176.7	-22.4	35.1	0	0	0	113.7	Y261 E272 D280	Y261-P276 HydrophobicContact CE1-CB 4.37Å; Y261-P276 PolarHBondContact OH-O 3.16Å; E272-P276 WeakPolarHBondContact O-CD 3.33Å; P276-D280 WeakPolarHBondContact O-CB 3.31Å; P276-D280 PolarHBondContact O-N 2.9Å
277	F	98.9	Very high	98.4	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-65	-45.8	171	169.5	-87.1	0	0	0	111.5	Y241 L243 Y261 L273 I274 K275 E279 L281 I295 M307	Y241-F277 HydrophobicContact CD1-CD2 4.11Å; Y241-F277 AromaticContact CD1-CE2 3.69Å; Y241-F277 HydrophobicContact CD1-CE2 3.69Å; Y241-F277 HydrophobicContact CE1-CE2 4.46Å; Y241-F277 HydrophobicContact CG-CE2 4.12Å; L243-F277 HydrophobicContact CD2-CD2 4.47Å; L243-F277 HydrophobicContact CD2-CE2 4.23Å; Y261-F277 HydrophobicContact CD1-CB 3.75Å; Y261-F277 HydrophobicContact CD1-CD2 4.32Å; Y261-F277 AromaticContact CD2-CD2 3.72Å; Y261-F277 HydrophobicContact CD2-CD2 3.72Å; Y261-F277 HydrophobicContact CE1-CB 3.86Å; Y261-F277 HydrophobicContact CE2-CD2 4.16Å; Y261-F277 HydrophobicContact CG-CB 4.12Å; Y261-F277 AromaticContact CG-CD2 3.81Å; Y261-F277 HydrophobicContact CG-CD2 3.81Å; Y261-F277 HydrophobicContact CG-CG 4.46Å; L273-F277 WeakPolarHBondContact O-CB 3.35Å; L273-F277 PolarHBondContact O-N 2.95Å; I274-F277 PolarHBondContact O-N 2.63Å; K275-F277 VanDerWaalsContact C-N 3.29Å; K275-F277 PolarHBondContact O-N 3.24Å; F277-E279 VanDerWaalsContact C-N 3.29Å; F277-E279 PolarHBondContact O-N 3.28Å; F277-L281 HydrophobicContact CE1-CD2 3.55Å; F277-L281 HydrophobicContact CZ-CD2 3.63Å; F277-L281 WeakPolarHBondContact O-CB 3.43Å; F277-L281 PolarHBondContact O-N 3.05Å; F277-I295 HydrophobicContact CE2-CG2 4.35Å; F277-I295 HydrophobicContact CZ-CG1 4.16Å; F277-I295 HydrophobicContact CZ-CG2 4.2Å; F277-M307 HydrophobicContact CB-CE 3.53Å; F277-M307 HydrophobicContact CD1-CB 3.94Å; F277-M307 HydrophobicContact CD1-CE 3.72Å; F277-M307 HydrophobicContact CD2-CE 4.01Å; F277-M307 HydrophobicContact CE1-CB 3.53Å; F277-M307 HydrophobicContact CE1-CE 4.49Å; F277-M307 WeakPolarHBondContact CE1-O 3.44Å; F277-M307 HydrophobicContact CE2-CB 4.16Å; F277-M307 HydrophobicContact CG-CB 4.44Å; F277-M307 HydrophobicContact CG-CE 3.45Å; F277-M307 VanDerWaalsContact CG-CE 3.45Å; F277-M307 HydrophobicContact CZ-CB 3.64Å
278	C	98.9	Very high	98.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-66.1	-35	-179.5	-65.6	0	0	0	0	111.9	I274 K275 D282 Y311 H314	I274-C278 PolarHBondContact O-N 3.48Å; I274-C278 PolarHBondContact O-SG 3.34Å; K275-C278 PolarHBondContact O-N 2.75Å; K275-C278 VanDerWaalsContact O-N 3.08Å; C278-D282 PolarHBondContact O-N 3.05Å; C278-Y311 HydrophobicContact CB-CD2 4.25Å; C278-H314 HydrophobicContact CB-CB 4.03Å
279	E	98.8	Very high	98.5	Very high	78 Å²	78	53 Å²	53	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-74.1	-44.5	179.6	-70.9	164.4	169.8	0	0	112	K275 F277 L281 D282 Q283	K275-E279 WeakPolarHBondContact CE-OE1 3.25Å; K275-E279 VanDerWaalsContact CG-OE1 3.3Å; K275-E279 WeakPolarHBondContact CG-OE1 3.36Å; K275-E279 IonicContact NZ-OE1 3.07Å; K275-E279 PolarHBondContact NZ-OE1 2.86Å; K275-E279 WeakPolarHBondContact O-CG 3.2Å; K275-E279 PolarHBondContact O-N 3.12Å; F277-E279 VanDerWaalsContact C-N 3.29Å; F277-E279 PolarHBondContact O-N 3.28Å; E279-L281 PolarHBondContact O-N 2.67Å; E279-D282 PolarHBondContact O-N 3.4Å; E279-Q283 VanDerWaalsContact O-CB 3.27Å; E279-Q283 WeakPolarHBondContact O-CB 3.31Å; E279-Q283 PolarHBondContact O-N 3.28Å
280	D	98.9	Very high	98.4	Very high	45 Å²	45	57.8 Å²	57.8	24%	0.241	30%	0.295	C	S	.	.	H	α-helix	trans	-63.7	-31.1	172.7	-176	50	0	0	0	112.5	K239 Y241 Y261 P276 W284	K239-D280 WeakPolarHBondContact CE-OD2 3.5Å; K239-D280 IonicContact NZ-OD1 3.28Å; K239-D280 PolarHBondContact NZ-OD1 3.15Å; K239-D280 IonicContact NZ-OD2 3.19Å; K239-D280 PolarHBondContact NZ-OD2 3.47Å; Y241-D280 WeakPolarHBondContact CE1-OD2 3.46Å; Y241-D280 PolarHBondContact OH-O 3.37Å; Y241-D280 VanDerWaalsContact OH-O 3.09Å; Y261-D280 WeakPolarHBondContact OH-CB 3.36Å; Y261-D280 PolarHBondContact OH-OD2 3.31Å; P276-D280 WeakPolarHBondContact O-CB 3.31Å; P276-D280 PolarHBondContact O-N 2.9Å; D280-W284 WeakPolarHBondContact O-CB 3.49Å; D280-W284 PolarHBondContact O-N 3.12Å
281	L	98.8	Very high	98.5	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-75.8	-39.8	175.6	-176.6	55.7	0	0	0	112.8	Y241 F277 E279 L285 A293 Y311	Y241-L281 HydrophobicContact CD2-CD1 4.49Å; Y241-L281 HydrophobicContact CE1-CB 4.38Å; Y241-L281 HydrophobicContact CE1-CD1 4.49Å; Y241-L281 HydrophobicContact CE2-CD1 3.82Å; Y241-L281 WeakPolarHBondContact OH-CA 3.25Å; F277-L281 HydrophobicContact CE1-CD2 3.55Å; F277-L281 HydrophobicContact CZ-CD2 3.63Å; F277-L281 WeakPolarHBondContact O-CB 3.43Å; F277-L281 PolarHBondContact O-N 3.05Å; E279-L281 PolarHBondContact O-N 2.67Å; L281-L285 HydrophobicContact CD1-CD1 3.6Å; L281-L285 HydrophobicContact CD1-CG 4.04Å; L281-L285 HydrophobicContact CG-CD1 4.04Å; L281-L285 VanDerWaalsContact O-CB 3.31Å; L281-L285 WeakPolarHBondContact O-CB 3.38Å; L281-L285 VanDerWaalsContact O-CG 3.25Å; L281-L285 WeakPolarHBondContact O-CG 3.27Å; L281-L285 PolarHBondContact O-N 3.02Å; L281-L285 VanDerWaalsContact O-N 3.09Å; L281-A293 HydrophobicContact CD1-CB 3.26Å; L281-Y311 HydrophobicContact CB-CD2 4.09Å; L281-Y311 HydrophobicContact CB-CE2 4.14Å; L281-Y311 HydrophobicContact CD2-CD1 3.52Å; L281-Y311 HydrophobicContact CD2-CD2 3.82Å; L281-Y311 HydrophobicContact CD2-CE1 3.99Å; L281-Y311 HydrophobicContact CD2-CE2 4.27Å; L281-Y311 HydrophobicContact CD2-CG 3.42Å; L281-Y311 VanDerWaalsContact CD2-CG 3.42Å; L281-Y311 HydrophobicContact CG-CD1 4.01Å; L281-Y311 HydrophobicContact CG-CD2 3.89Å; L281-Y311 HydrophobicContact CG-CE1 3.97Å; L281-Y311 HydrophobicContact CG-CE2 3.86Å; L281-Y311 HydrophobicContact CG-CG 3.97Å
282	D	98.8	Very high	98.5	Very high	26 Å²	26	53.9 Å²	53.9	14%	0.139	28%	0.277	C	S	.	.	H	α-helix	trans	-69.9	-42	173.9	-164.2	34.3	0	0	0	112.1	C278 E279 W284 L285 S286 Y311 R315	C278-D282 PolarHBondContact O-N 3.05Å; E279-D282 PolarHBondContact O-N 3.4Å; D282-W284 PolarHBondContact O-N 3.41Å; D282-L285 CarbonylContact O-C 3.53Å; D282-L285 PolarHBondContact O-N 3.44Å; D282-S286 VanDerWaalsContact O-CB 3.24Å; D282-S286 WeakPolarHBondContact O-CB 3.43Å; D282-S286 PolarHBondContact O-N 3.1Å; D282-S286 PolarHBondContact O-OG 2.87Å; D282-Y311 HydrophobicContact CB-CE2 3.91Å; D282-Y311 PolarHBondContact OD1-OH 3.41Å; D282-R315 VanDerWaalsContact CG-CD 3.45Å; D282-R315 WeakPolarHBondContact OD1-CD 3.26Å; D282-R315 IonicContact OD1-CZ 3.48Å; D282-R315 IonicContact OD1-NE 3.41Å; D282-R315 PolarHBondContact OD1-NE 3.33Å; D282-R315 IonicContact OD1-NH1 2.73Å; D282-R315 PolarHBondContact OD1-NH1 2.68Å; D282-R315 IonicContact OD1-NH2 3.59Å; D282-R315 PolarHBondContact OD1-NH2 3.37Å; D282-R315 WeakPolarHBondContact OD2-CD 3.46Å; D282-R315 IonicContact OD2-CZ 3.73Å; D282-R315 IonicContact OD2-NE 3.81Å; D282-R315 PolarHBondContact OD2-NE 3.18Å; D282-R315 IonicContact OD2-NH1 2.95Å; D282-R315 PolarHBondContact OD2-NH1 3.43Å; D282-R315 IonicContact OD2-NH2 2.62Å; D282-R315 PolarHBondContact OD2-NH2 3.07Å
283	Q	98.7	Very high	98.6	Very high	106 Å²	106	48.4 Å²	48.4	50%	0.495	25%	0.251	S	S	.	.	H	α-helix	trans	-56	-53.2	177.9	-179.6	55.3	47	0	0	110.1	E279 L285 S286 E287	E279-Q283 VanDerWaalsContact O-CB 3.27Å; E279-Q283 WeakPolarHBondContact O-CB 3.31Å; E279-Q283 PolarHBondContact O-N 3.28Å; Q283-L285 PolarHBondContact O-N 2.96Å; Q283-S286 PolarHBondContact O-N 2.52Å; Q283-S286 PolarHBondContact O-OG 3.32Å; Q283-E287 PolarHBondContact NE2-OE1 2.92Å; Q283-E287 WeakPolarHBondContact O-CG 3.4Å; Q283-E287 PolarHBondContact O-N 3.23Å
284	W	98.7	Very high	98.6	Very high	28 Å²	28	46.6 Å²	46.6	11%	0.106	24%	0.241	C	C	.	.	H	α-helix	trans	-57.3	-47.3	174.8	176.2	-107.5	0	0	0	113.2	H237 Y238 K239 D280 D282 S286 H291 V292	H237-W284 WeakPolarHBondContact O-CZ2 2.96Å; Y238-W284 VanDerWaalsContact C-CZ2 3.45Å; K239-W284 HydrophobicContact CB-CD2 3.7Å; K239-W284 HydrophobicContact CB-CE3 4.37Å; K239-W284 HydrophobicContact CB-CG 4Å; K239-W284 HydrophobicContact CB-CH2 4.43Å; K239-W284 HydrophobicContact CB-CZ2 3.76Å; K239-W284 HydrophobicContact CD-CB 4.05Å; K239-W284 HydrophobicContact CD-CD2 3.72Å; K239-W284 HydrophobicContact CD-CE3 4.02Å; K239-W284 HydrophobicContact CD-CG 3.72Å; K239-W284 HydrophobicContact CG-CD2 4.39Å; D280-W284 WeakPolarHBondContact O-CB 3.49Å; D280-W284 PolarHBondContact O-N 3.12Å; D282-W284 PolarHBondContact O-N 3.41Å; W284-S286 PolarHBondContact O-N 2.91Å; W284-H291 AromaticContact CD2-ND1 3.75Å; W284-H291 AromaticContact CE2-CG 3.78Å; W284-H291 AromaticContact CE2-ND1 3.79Å; W284-H291 AromaticContact CE3-CE1 3.78Å; W284-H291 AromaticContact CE3-ND1 3.74Å; W284-H291 AromaticContact CH2-CD2 3.84Å; W284-H291 AromaticContact CH2-CE1 3.5Å; W284-H291 VanDerWaalsContact CH2-CE1 3.5Å; W284-H291 WeakPolarHBondContact CH2-CE1 3.27Å; W284-H291 AromaticContact CH2-ND1 3.87Å; W284-H291 AromaticContact CH2-NE2 3.46Å; W284-H291 WeakPolarHBondContact CH2-NE2 3.15Å; W284-H291 HydrophobicContact CZ2-CB 4.3Å; W284-H291 AromaticContact CZ2-CD2 3.71Å; W284-H291 AromaticContact CZ2-CE1 3.94Å; W284-H291 AromaticContact CZ2-CG 3.73Å; W284-H291 AromaticContact CZ2-ND1 3.87Å; W284-H291 AromaticContact CZ2-NE2 3.85Å; W284-H291 AromaticContact CZ3-CE1 3.41Å; W284-H291 VanDerWaalsContact CZ3-CE1 3.41Å; W284-H291 WeakPolarHBondContact CZ3-CE1 2.97Å; W284-H291 AromaticContact CZ3-ND1 3.8Å; W284-H291 AromaticContact CZ3-NE2 3.85Å; W284-H291 WeakPolarHBondContact O-CB 3.18Å; W284-H291 PolarHBondContact O-ND1 3.32Å; W284-V292 PolarHBondContact NE1-O 2.9Å
285	L	98.6	Very high	98.6	Very high	17 Å²	17	46.6 Å²	46.6	9%	0.089	24%	0.241	C	C	.	.	H	α-helix	trans	-79.2	2.5	-175.9	-66.6	179	0	0	0	114.5	N204 I205 L281 D282 Q283 H291 A293 Y311	N204-L285 HydrophobicContact CB-CD2 4.16Å; I205-L285 HydrophobicContact CG1-CD1 4.09Å; L281-L285 HydrophobicContact CD1-CD1 3.6Å; L281-L285 HydrophobicContact CD1-CG 4.04Å; L281-L285 HydrophobicContact CG-CD1 4.04Å; L281-L285 VanDerWaalsContact O-CB 3.31Å; L281-L285 WeakPolarHBondContact O-CB 3.38Å; L281-L285 VanDerWaalsContact O-CG 3.25Å; L281-L285 WeakPolarHBondContact O-CG 3.27Å; L281-L285 PolarHBondContact O-N 3.02Å; L281-L285 VanDerWaalsContact O-N 3.09Å; D282-L285 CarbonylContact O-C 3.53Å; D282-L285 PolarHBondContact O-N 3.44Å; Q283-L285 PolarHBondContact O-N 2.96Å; L285-H291 HydrophobicContact CD2-CB 4.39Å; L285-H291 VanDerWaalsContact CD2-O 3.25Å; L285-H291 WeakPolarHBondContact CD2-O 3.35Å; L285-A293 HydrophobicContact CD1-CB 4.23Å; L285-A293 HydrophobicContact CD2-CB 4.12Å; L285-A293 HydrophobicContact CG-CB 4.38Å; L285-Y311 HydrophobicContact CD1-CE1 3.87Å
286	S	98.1	Very high	98.5	Very high	68 Å²	68	42.3 Å²	42.3	48%	0.476	22%	0.223	S	C	.	.	H	α-helix	trans	-115.1	-6	176.3	61.3	0	0	0	0	114.3	D282 Q283 W284	D282-S286 VanDerWaalsContact O-CB 3.24Å; D282-S286 WeakPolarHBondContact O-CB 3.43Å; D282-S286 PolarHBondContact O-N 3.1Å; D282-S286 PolarHBondContact O-OG 2.87Å; Q283-S286 PolarHBondContact O-N 2.52Å; Q283-S286 PolarHBondContact O-OG 3.32Å; W284-S286 PolarHBondContact O-N 2.91Å
287	E	98.3	Very high	98.3	Very high	107 Å²	107	39.5 Å²	39.5	50%	0.5	21%	0.205	S	C	.	.	H	α-helix	trans	-74.4	-31.9	176.3	-79.1	163.1	-172.6	0	0	113.6	Q283 H291	Q283-E287 PolarHBondContact NE2-OE1 2.92Å; Q283-E287 WeakPolarHBondContact O-CG 3.4Å; Q283-E287 PolarHBondContact O-N 3.23Å; E287-H291 IonicContact OE2-CE1 3.82Å
288	D	98.1	Very high	97.9	Very high	52 Å²	52	43 Å²	43	28%	0.278	22%	0.22	S	C	.	.			trans	-150.9	135.8	179.4	-171.1	-28.8	0	0	0	109.3	H237 N290 H291	H237-D288 IonicContact CE1-OD2 3.51Å; H237-D288 PolarHBondContact CE1-OD2 3.31Å; H237-D288 IonicContact ND1-OD2 2.66Å; H237-D288 PolarHBondContact ND1-OD2 3.18Å; D288-N290 PolarHBondContact O-N 2.91Å; D288-N290 VanDerWaalsContact O-N 3.12Å; D288-N290 WeakPolarHBondContact OD1-CB 3.37Å; D288-N290 PolarHBondContact OD1-N 3.15Å; D288-N290 PolarHBondContact OD1-ND2 2.87Å; D288-H291 HydrophobicContact CB-CB 4.4Å; D288-H291 WeakPolarHBondContact O-CB 3.39Å; D288-H291 PolarHBondContact O-N 3.3Å
289	D	97.5	Very high	97.4	Very high	173 Å²	173	45.1 Å²	45.1	93%	0.925	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-19.8	175.4	-74.5	-43.2	0	0	0	112.5
290	N	97.9	Very high	97	Very high	102 Å²	102	41.4 Å²	41.4	55%	0.545	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-8.2	176	-57	-84.9	0	0	0	113.5	H237 D288	H237-N290 HydrophobicContact CB-CB 4.39Å; H237-N290 WeakPolarHBondContact CB-O 3.41Å; D288-N290 PolarHBondContact O-N 2.91Å; D288-N290 VanDerWaalsContact O-N 3.12Å; D288-N290 WeakPolarHBondContact OD1-CB 3.37Å; D288-N290 PolarHBondContact OD1-N 3.15Å; D288-N290 PolarHBondContact OD1-ND2 2.87Å
291	H	98.6	Very high	96.6	Very high	20 Å²	20	42 Å²	42	9%	0.093	22%	0.22	C	C	.	.			trans	-67.5	137	-176.9	-82.8	178.7	0	0	0	112.7	N204 H237 W284 L285 E287 D288	N204-H291 VanDerWaalsContact CB-O 3.23Å; N204-H291 WeakPolarHBondContact CB-O 3.47Å; H237-H291 AromaticContact ND1-CD2 3.65Å; H237-H291 AromaticContact ND1-NE2 3.98Å; H237-H291 CarbonylContact O-C 3.56Å; H237-H291 WeakPolarHBondContact O-CA 3.41Å; W284-H291 AromaticContact CD2-ND1 3.75Å; W284-H291 AromaticContact CE2-CG 3.78Å; W284-H291 AromaticContact CE2-ND1 3.79Å; W284-H291 AromaticContact CE3-CE1 3.78Å; W284-H291 AromaticContact CE3-ND1 3.74Å; W284-H291 AromaticContact CH2-CD2 3.84Å; W284-H291 AromaticContact CH2-CE1 3.5Å; W284-H291 VanDerWaalsContact CH2-CE1 3.5Å; W284-H291 WeakPolarHBondContact CH2-CE1 3.27Å; W284-H291 AromaticContact CH2-ND1 3.87Å; W284-H291 AromaticContact CH2-NE2 3.46Å; W284-H291 WeakPolarHBondContact CH2-NE2 3.15Å; W284-H291 HydrophobicContact CZ2-CB 4.3Å; W284-H291 AromaticContact CZ2-CD2 3.71Å; W284-H291 AromaticContact CZ2-CE1 3.94Å; W284-H291 AromaticContact CZ2-CG 3.73Å; W284-H291 AromaticContact CZ2-ND1 3.87Å; W284-H291 AromaticContact CZ2-NE2 3.85Å; W284-H291 AromaticContact CZ3-CE1 3.41Å; W284-H291 VanDerWaalsContact CZ3-CE1 3.41Å; W284-H291 WeakPolarHBondContact CZ3-CE1 2.97Å; W284-H291 AromaticContact CZ3-ND1 3.8Å; W284-H291 AromaticContact CZ3-NE2 3.85Å; W284-H291 WeakPolarHBondContact O-CB 3.18Å; W284-H291 PolarHBondContact O-ND1 3.32Å; L285-H291 HydrophobicContact CD2-CB 4.39Å; L285-H291 VanDerWaalsContact CD2-O 3.25Å; L285-H291 WeakPolarHBondContact CD2-O 3.35Å; E287-H291 IonicContact OE2-CE1 3.82Å; D288-H291 HydrophobicContact CB-CB 4.4Å; D288-H291 WeakPolarHBondContact O-CB 3.39Å; D288-H291 PolarHBondContact O-N 3.3Å
292	V	98.8	Very high	96.5	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.03	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.7	-178.4	-178.5	0	0	0	0	110.3	N204 I206 H234 H237 Y238 K239 W284	N204-V292 HydrophobicContact CB-CG2 4.41Å; N204-V292 WeakPolarHBondContact O-CA 3.34Å; I206-V292 HydrophobicContact CD1-CG1 3.69Å; I206-V292 HydrophobicContact CG1-CG1 4.03Å; H234-V292 HydrophobicContact CB-CG2 4.45Å; H237-V292 PolarHBondContact O-N 3.49Å; Y238-V292 CarbonylContact C-O 3.56Å; Y238-V292 VanDerWaalsContact CA-O 3.28Å; Y238-V292 WeakPolarHBondContact CA-O 3.23Å; K239-V292 PolarHBondContact N-O 2.92Å; W284-V292 PolarHBondContact NE1-O 2.9Å
293	A	98.8	Very high	96.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	133.1	173.7	0	0	0	0	0	110.8	N204 I206 K239 Y241 L281 L285 I295	N204-A293 PolarHBondContact O-N 3.07Å; I206-A293 PolarHBondContact N-O 3.16Å; K239-A293 WeakPolarHBondContact O-CA 3.41Å; Y241-A293 HydrophobicContact CD2-CB 4.11Å; Y241-A293 HydrophobicContact CE2-CB 3.74Å; L281-A293 HydrophobicContact CD1-CB 3.26Å; L285-A293 HydrophobicContact CD1-CB 4.23Å; L285-A293 HydrophobicContact CD2-CB 4.12Å; L285-A293 HydrophobicContact CG-CB 4.38Å; A293-I295 HydrophobicContact CB-CD1 3.83Å
294	A	98.8	Very high	96.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	97.8	174.7	0	0	0	0	0	110.6	I206 M208 L230 K239 I240 Y241	I206-A294 HydrophobicContact CB-CB 4.28Å; I206-A294 HydrophobicContact CG2-CB 4.41Å; M208-A294 HydrophobicContact CE-CB 3.9Å; M208-A294 HydrophobicContact SD-CB 4.21Å; L230-A294 HydrophobicContact CD1-CB 4.4Å; K239-A294 PolarHBondContact O-N 1.94Å; I240-A294 WeakPolarHBondContact CA-O 3.46Å; I240-A294 HydrophobicContact CD1-CB 3.87Å; Y241-A294 PolarHBondContact N-O 2.59Å
295	I	98.8	Very high	96.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	129.1	-176.1	-48.5	84.3	0	0	0	109.2	I205 I206 A207 M208 Y241 L243 F277 A293 T304 I308	I205-I295 HydrophobicContact CG2-CD1 3.82Å; I206-I295 WeakPolarHBondContact O-CD1 3.26Å; I206-I295 PolarHBondContact O-N 3.13Å; A207-I295 WeakPolarHBondContact CA-O 3.37Å; M208-I295 PolarHBondContact N-O 2.73Å; M208-I295 VanDerWaalsContact N-O 3.09Å; Y241-I295 HydrophobicContact CD2-CG1 4.26Å; Y241-I295 HydrophobicContact CG-CG1 4.35Å; L243-I295 HydrophobicContact CD1-CG2 3.8Å; L243-I295 HydrophobicContact CD2-CG2 4.5Å; L243-I295 HydrophobicContact CG-CG2 4.14Å; F277-I295 HydrophobicContact CE2-CG2 4.35Å; F277-I295 HydrophobicContact CZ-CG1 4.16Å; F277-I295 HydrophobicContact CZ-CG2 4.2Å; A293-I295 HydrophobicContact CB-CD1 3.83Å; I295-T304 HydrophobicContact CB-CG2 4.26Å; I295-T304 HydrophobicContact CG2-CG2 4.11Å; I295-T304 WeakPolarHBondContact O-CG2 3.01Å; I295-I308 HydrophobicContact CB-CD1 4.21Å; I295-I308 HydrophobicContact CB-CG1 4.34Å; I295-I308 HydrophobicContact CD1-CD1 4.19Å; I295-I308 HydrophobicContact CD1-CG1 4.21Å; I295-I308 HydrophobicContact CG1-CD1 4.5Å; I295-I308 HydrophobicContact CG1-CG1 4.31Å
296	H	97.9	Very high	96.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	161.6	-176.8	82.3	85.3	0	0	0	114	M208 F210 Y241 N242 L243 Y249	M208-H296 HydrophobicContact CE-CB 4Å; M208-H296 HydrophobicContact CG-CB 3.6Å; M208-H296 WeakPolarHBondContact O-CA 3.39Å; M208-H296 VanDerWaalsContact O-CB 3.23Å; M208-H296 WeakPolarHBondContact O-CB 3.27Å; F210-H296 AromaticContact CD2-CE1 2.96Å; F210-H296 WeakPolarHBondContact CD2-CE1 3.13Å; F210-H296 AromaticContact CD2-ND1 3.75Å; F210-H296 AromaticContact CE2-CE1 3.15Å; F210-H296 WeakPolarHBondContact CE2-CE1 3.22Å; Y241-H296 PolarHBondContact O-CD2 3.45Å; Y241-H296 PolarHBondContact O-N 3.36Å; N242-H296 WeakPolarHBondContact CA-NE2 3.44Å; N242-H296 WeakPolarHBondContact CB-NE2 3.44Å; N242-H296 PolarHBondContact OD1-CE1 3.23Å; L243-H296 WeakPolarHBondContact CB-O 3.43Å; L243-H296 WeakPolarHBondContact CG-O 3.31Å; L243-H296 PolarHBondContact N-O 3.22Å; Y249-H296 AromaticContact CE1-CE1 3.27Å; Y249-H296 WeakPolarHBondContact CE1-CE1 3.27Å; Y249-H296 AromaticContact CE1-NE2 2.97Å; Y249-H296 WeakPolarHBondContact CE1-NE2 3.32Å; Y249-H296 AromaticContact CZ-NE2 2.82Å; Y249-H296 PolarHBondContact OH-NE2 2.68Å
297	C	94.4	Very high	96.5	Very high	3 Å²	3	31.1 Å²	31.1	2%	0.02	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	-173.2	161.5	75.6	0	0	0	0	108.1	F210 L243 C244 A299 G300 R303 T304	F210-C297 PolarHBondContact N-O 3.05Å; L243-C297 HydrophobicContact CB-CB 4.24Å; C244-C297 VanDerWaalsContact SG-CA 3.59Å; C297-A299 PolarHBondContact O-N 3.26Å; C297-G300 PolarHBondContact O-N 3.17Å; C297-G300 PolarHBondContact SG-N 3.35Å; C297-G300 VanDerWaalsContact SG-N 3.39Å; C297-R303 HydrophobicContact CB-CB 4.01Å; C297-T304 PolarHBondContact N-OG1 2.88Å; C297-T304 PolarHBondContact SG-OG1 3.36Å
298	K	90.5	Very high	96.5	Very high	73 Å²	73	26 Å²	26	32%	0.317	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.1	-35.4	178.1	-169.7	177.2	-178.3	178.8	0	115.5	R220 C244 D265	R220-K298 PolarHBondContact NE-O 2.71Å; C244-K298 PolarHBondContact SG-N 3.33Å; D265-K298 IonicContact OD2-NZ 2.68Å
299	A	87.9	Confident	96.6	Very high	44 Å²	44	23.6 Å²	23.6	36%	0.364	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.3	5.7	-178.2	0	0	0	0	0	114.9	K186 C297 K301	K186-A299 WeakPolarHBondContact CD-O 3.49Å; K186-A299 PolarHBondContact NZ-O 3.17Å; C297-A299 PolarHBondContact O-N 3.26Å; A299-K301 PolarHBondContact O-N 3.48Å
300	G	90	Very high	96.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	55.6	41.7	177.7	0	0	0	0	0	115	M208 C297 Y328 R332	M208-G300 WeakPolarHBondContact O-CA 3.43Å; C297-G300 PolarHBondContact O-N 3.17Å; C297-G300 PolarHBondContact SG-N 3.35Å; C297-G300 VanDerWaalsContact SG-N 3.39Å; G300-Y328 PolarHBondContact O-OH 2.99Å; G300-R332 PolarHBondContact O-NE 3.36Å; G300-R332 PolarHBondContact O-NH2 2.76Å
301	K	91.6	Very high	96.7	Very high	57 Å²	57	11.1 Å²	11.1	25%	0.248	6%	0.062	C	C	.	.	S	Bend	trans	-133.9	-89.7	-170.2	-176.9	169.9	173.2	147.2	0	113.2	A299 G305 Y328 K337 G338	A299-K301 PolarHBondContact O-N 3.48Å; K301-G305 WeakPolarHBondContact O-CA 3.33Å; K301-G305 PolarHBondContact O-N 3.16Å; K301-Y328 PolarHBondContact O-OH 2.82Å; K301-K337 WeakPolarHBondContact CE-O 3.42Å; K301-K337 PolarHBondContact NZ-O 3.29Å; K301-G338 VanDerWaalsContact CE-O 3.3Å; K301-G338 WeakPolarHBondContact CE-O 3.38Å
302	G	95.9	Very high	96.7	Very high	16 Å²	16	10.2 Å²	10.2	17%	0.165	6%	0.058	C	C	.	.	H	α-helix	trans	-63.5	-67.5	-172.9	0	0	0	0	0	112.8	T304 G305 V306 Q344	G302-T304 PolarHBondContact O-N 2.82Å; G302-G305 PolarHBondContact O-N 3.39Å; G302-G305 VanDerWaalsContact O-N 3.08Å; G302-V306 PolarHBondContact O-N 3.46Å; G302-Q344 VanDerWaalsContact CA-OE1 3.29Å
303	R	97.9	Very high	96.7	Very high	2 Å²	2	10.5 Å²	10.5	1%	0.008	6%	0.059	C	C	.	.	H	α-helix	trans	-53.5	-49.4	179.1	-63.3	-172.5	-90.6	171.2	0.7	112.4	L243 E246 F263 D265 C297 G305 V306 M307	L243-R303 HydrophobicContact CD1-CB 4.36Å; L243-R303 PolarHBondContact O-NH1 2.93Å; E246-R303 IonicContact OE1-CZ 2.71Å; E246-R303 IonicContact OE1-NH1 3.48Å; E246-R303 IonicContact OE1-NH2 3.44Å; E246-R303 PolarHBondContact OE1-NH2 3Å; E246-R303 IonicContact OE2-CZ 2.7Å; E246-R303 IonicContact OE2-NH1 2.84Å; E246-R303 PolarHBondContact OE2-NH1 2.92Å; E246-R303 IonicContact OE2-NH2 3.64Å; E246-R303 PolarHBondContact OE2-NH2 3.21Å; F263-R303 HydrophobicContact CD2-CG 3.93Å; F263-R303 HydrophobicContact CE1-CB 4.15Å; F263-R303 HydrophobicContact CE2-CB 3.7Å; F263-R303 HydrophobicContact CE2-CG 3.43Å; F263-R303 VanDerWaalsContact CE2-CG 3.43Å; F263-R303 HydrophobicContact CZ-CB 3.49Å; F263-R303 VanDerWaalsContact CZ-CB 3.49Å; F263-R303 HydrophobicContact CZ-CG 3.81Å; F263-R303 WeakPolarHBondContact O-CD 3.48Å; F263-R303 PolarHBondContact O-NH1 3.48Å; D265-R303 IonicContact OD1-CZ 2.87Å; D265-R303 IonicContact OD1-NE 3.48Å; D265-R303 PolarHBondContact OD1-NE 2.91Å; D265-R303 IonicContact OD1-NH2 2.79Å; D265-R303 PolarHBondContact OD1-NH2 3.19Å; D265-R303 IonicContact OD2-NH2 2.64Å; C297-R303 HydrophobicContact CB-CB 4.01Å; R303-G305 VanDerWaalsContact C-N 3.33Å; R303-G305 PolarHBondContact O-N 3.36Å; R303-V306 PolarHBondContact O-N 3.09Å; R303-M307 PolarHBondContact O-N 3.13Å
304	T	98.6	Very high	96.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-57.5	-41.9	175.9	-52.1	0	0	0	0	112.9	A207 I295 C297 G302 I308	A207-T304 HydrophobicContact CB-CG2 3.81Å; I295-T304 HydrophobicContact CB-CG2 4.26Å; I295-T304 HydrophobicContact CG2-CG2 4.11Å; I295-T304 WeakPolarHBondContact O-CG2 3.01Å; C297-T304 PolarHBondContact N-OG1 2.88Å; C297-T304 PolarHBondContact SG-OG1 3.36Å; G302-T304 PolarHBondContact O-N 2.82Å; T304-I308 HydrophobicContact CG2-CD1 3.75Å; T304-I308 HydrophobicContact CG2-CG1 4.49Å; T304-I308 WeakPolarHBondContact O-CB 3.39Å; T304-I308 WeakPolarHBondContact O-CG1 3.48Å; T304-I308 PolarHBondContact O-N 3.45Å
305	G	98.6	Very high	96.7	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.1	-40.5	178.2	0	0	0	0	0	113.3	K301 G302 R303 M307 I308 C309 Y328	K301-G305 WeakPolarHBondContact O-CA 3.33Å; K301-G305 PolarHBondContact O-N 3.16Å; G302-G305 PolarHBondContact O-N 3.39Å; G302-G305 VanDerWaalsContact O-N 3.08Å; R303-G305 VanDerWaalsContact C-N 3.33Å; R303-G305 PolarHBondContact O-N 3.36Å; G305-M307 PolarHBondContact O-N 3.03Å; G305-I308 PolarHBondContact O-N 2.87Å; G305-C309 VanDerWaalsContact O-CB 3.27Å; G305-C309 WeakPolarHBondContact O-CB 3.46Å; G305-C309 PolarHBondContact O-N 2.84Å; G305-C309 PolarHBondContact O-SG 2.94Å; G305-Y328 PolarHBondContact N-OH 3.21Å
306	V	98.8	Very high	96.6	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-56.3	-53.6	176	176.7	0	0	0	0	110.6	P269 G302 R303 C309 A310 V339 Q344 V348	P269-V306 HydrophobicContact CG-CG1 4.01Å; G302-V306 PolarHBondContact O-N 3.46Å; R303-V306 PolarHBondContact O-N 3.09Å; V306-C309 PolarHBondContact O-N 3.38Å; V306-A310 WeakPolarHBondContact O-CB 3.43Å; V306-A310 PolarHBondContact O-N 2.97Å; V306-V339 HydrophobicContact CG2-CG1 4.06Å; V306-Q344 HydrophobicContact CG2-CB 3.6Å; V306-Q344 HydrophobicContact CG2-CG 4.07Å; V306-Q344 WeakPolarHBondContact CG2-O 3.5Å; V306-V348 HydrophobicContact CB-CG2 4.27Å; V306-V348 HydrophobicContact CG1-CG2 3.89Å; V306-V348 HydrophobicContact CG2-CG2 4.43Å
307	M	98.9	Very high	96.6	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68.5	-38.4	-174.9	-51.6	-51.9	-70.1	0	0	112.1	L243 F263 P269 F277 R303 G305 Y311	L243-M307 HydrophobicContact CD1-CB 4.16Å; L243-M307 HydrophobicContact CD1-CG 3.6Å; L243-M307 HydrophobicContact CD2-CG 3.95Å; L243-M307 HydrophobicContact CG-CG 4.43Å; F263-M307 HydrophobicContact CE1-CG 3.8Å; F263-M307 HydrophobicContact CE1-SD 3.71Å; F263-M307 HydrophobicContact CZ-CG 4.06Å; F263-M307 HydrophobicContact CZ-SD 3.95Å; P269-M307 HydrophobicContact CB-SD 4.12Å; P269-M307 HydrophobicContact CG-SD 3.93Å; F277-M307 HydrophobicContact CB-CE 3.53Å; F277-M307 HydrophobicContact CD1-CB 3.94Å; F277-M307 HydrophobicContact CD1-CE 3.72Å; F277-M307 HydrophobicContact CD2-CE 4.01Å; F277-M307 HydrophobicContact CE1-CB 3.53Å; F277-M307 HydrophobicContact CE1-CE 4.49Å; F277-M307 WeakPolarHBondContact CE1-O 3.44Å; F277-M307 HydrophobicContact CE2-CB 4.16Å; F277-M307 HydrophobicContact CG-CB 4.44Å; F277-M307 HydrophobicContact CG-CE 3.45Å; F277-M307 VanDerWaalsContact CG-CE 3.45Å; F277-M307 HydrophobicContact CZ-CB 3.64Å; R303-M307 PolarHBondContact O-N 3.13Å; G305-M307 PolarHBondContact O-N 3.03Å; M307-Y311 WeakPolarHBondContact O-CB 3.48Å; M307-Y311 PolarHBondContact O-N 2.99Å
308	I	98.9	Very high	96.8	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-67.7	-43.8	175	-69.7	176.3	0	0	0	111.5	I201 I205 A207 I295 T304 G305 A310 Y311 L312 Y328	I201-I308 HydrophobicContact CG1-CD1 4.18Å; I201-I308 HydrophobicContact CG2-CG2 4.05Å; I205-I308 HydrophobicContact CG2-CD1 4.14Å; I205-I308 HydrophobicContact CG2-CG1 4.28Å; I205-I308 HydrophobicContact CG2-CG2 4.29Å; A207-I308 HydrophobicContact CB-CD1 3.77Å; I295-I308 HydrophobicContact CB-CD1 4.21Å; I295-I308 HydrophobicContact CB-CG1 4.34Å; I295-I308 HydrophobicContact CD1-CD1 4.19Å; I295-I308 HydrophobicContact CD1-CG1 4.21Å; I295-I308 HydrophobicContact CG1-CD1 4.5Å; I295-I308 HydrophobicContact CG1-CG1 4.31Å; T304-I308 HydrophobicContact CG2-CD1 3.75Å; T304-I308 HydrophobicContact CG2-CG1 4.49Å; T304-I308 WeakPolarHBondContact O-CB 3.39Å; T304-I308 WeakPolarHBondContact O-CG1 3.48Å; T304-I308 PolarHBondContact O-N 3.45Å; G305-I308 PolarHBondContact O-N 2.87Å; I308-A310 VanDerWaalsContact C-N 3.34Å; I308-A310 PolarHBondContact O-N 2.63Å; I308-Y311 PolarHBondContact O-N 3.18Å; I308-L312 HydrophobicContact CG2-CD1 3.79Å; I308-L312 HydrophobicContact CG2-CG 4.28Å; I308-L312 VanDerWaalsContact O-CG 3.25Å; I308-L312 WeakPolarHBondContact O-CG 3.39Å; I308-L312 PolarHBondContact O-N 2.86Å; I308-Y328 HydrophobicContact CB-CD2 4.48Å; I308-Y328 HydrophobicContact CD1-CE2 4.13Å; I308-Y328 HydrophobicContact CG2-CD2 4.16Å
309	C	98.9	Very high	97	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-63.1	-42.7	177.9	-64.8	0	0	0	0	111.1	G305 V306 Y311 L312 L313 A324 V348	G305-C309 VanDerWaalsContact O-CB 3.27Å; G305-C309 WeakPolarHBondContact O-CB 3.46Å; G305-C309 PolarHBondContact O-N 2.84Å; G305-C309 PolarHBondContact O-SG 2.94Å; V306-C309 PolarHBondContact O-N 3.38Å; C309-Y311 PolarHBondContact O-N 3.36Å; C309-L312 PolarHBondContact O-N 2.96Å; C309-L313 VanDerWaalsContact O-CG 3.31Å; C309-L313 WeakPolarHBondContact O-CG 3.46Å; C309-L313 PolarHBondContact O-N 3.39Å; C309-A324 HydrophobicContact CB-CB 4.07Å; C309-A324 PolarHBondContact SG-O 3.24Å; C309-A324 VanDerWaalsContact SG-O 3.39Å; C309-V348 HydrophobicContact CB-CG1 3.73Å; C309-V348 HydrophobicContact CB-CG2 4.12Å
310	A	98.9	Very high	97.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-58.2	-45.5	174.7	0	0	0	0	0	112.5	I274 V306 I308 L313 H314 Y351	I274-A310 HydrophobicContact CG2-CB 3.43Å; I274-A310 VanDerWaalsContact CG2-CB 3.43Å; V306-A310 WeakPolarHBondContact O-CB 3.43Å; V306-A310 PolarHBondContact O-N 2.97Å; I308-A310 VanDerWaalsContact C-N 3.34Å; I308-A310 PolarHBondContact O-N 2.63Å; A310-L313 PolarHBondContact O-N 2.71Å; A310-H314 WeakPolarHBondContact O-CB 3.11Å; A310-H314 PolarHBondContact O-N 3.01Å; A310-Y351 HydrophobicContact CB-CD1 3.64Å; A310-Y351 HydrophobicContact CB-CE1 4.07Å; A310-Y351 HydrophobicContact CB-CG 4.38Å
311	Y	98.9	Very high	97.7	Very high	13 Å²	13	33.8 Å²	33.8	5%	0.051	17%	0.17	C	C	.	.	H	α-helix	trans	-64.9	-38.9	176.5	175.1	-112.4	0	0	0	113.3	I205 C278 L281 D282 L285 M307 I308 C309 L313 H314 R315	I205-Y311 HydrophobicContact CD1-CD1 3.94Å; I205-Y311 HydrophobicContact CD1-CE1 3.67Å; I205-Y311 HydrophobicContact CG1-CE1 4.47Å; C278-Y311 HydrophobicContact CB-CD2 4.25Å; L281-Y311 HydrophobicContact CB-CD2 4.09Å; L281-Y311 HydrophobicContact CB-CE2 4.14Å; L281-Y311 HydrophobicContact CD2-CD1 3.52Å; L281-Y311 HydrophobicContact CD2-CD2 3.82Å; L281-Y311 HydrophobicContact CD2-CE1 3.99Å; L281-Y311 HydrophobicContact CD2-CE2 4.27Å; L281-Y311 HydrophobicContact CD2-CG 3.42Å; L281-Y311 VanDerWaalsContact CD2-CG 3.42Å; L281-Y311 HydrophobicContact CG-CD1 4.01Å; L281-Y311 HydrophobicContact CG-CD2 3.89Å; L281-Y311 HydrophobicContact CG-CE1 3.97Å; L281-Y311 HydrophobicContact CG-CE2 3.86Å; L281-Y311 HydrophobicContact CG-CG 3.97Å; D282-Y311 HydrophobicContact CB-CE2 3.91Å; D282-Y311 PolarHBondContact OD1-OH 3.41Å; L285-Y311 HydrophobicContact CD1-CE1 3.87Å; M307-Y311 WeakPolarHBondContact O-CB 3.48Å; M307-Y311 PolarHBondContact O-N 2.99Å; I308-Y311 PolarHBondContact O-N 3.18Å; C309-Y311 PolarHBondContact O-N 3.36Å; Y311-L313 VanDerWaalsContact C-N 3.29Å; Y311-L313 PolarHBondContact O-N 3.42Å; Y311-H314 WeakPolarHBondContact O-CB 3.46Å; Y311-H314 PolarHBondContact O-N 3.46Å; Y311-R315 HydrophobicContact CD2-CG 4.1Å; Y311-R315 HydrophobicContact CE1-CG 4.39Å; Y311-R315 HydrophobicContact CE2-CG 3.5Å; Y311-R315 VanDerWaalsContact CE2-CG 3.5Å; Y311-R315 PolarHBondContact O-N 3.11Å
312	L	98.9	Very high	98	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-66.6	-31.7	177.3	-68.4	172.1	0	0	0	112.3	I201 Y202 I205 I308 C309 G316 K317 F318 F327	I201-L312 HydrophobicContact CG2-CD1 4.33Å; Y202-L312 HydrophobicContact CD2-CD1 4.43Å; Y202-L312 HydrophobicContact CD2-CD2 3.66Å; Y202-L312 HydrophobicContact CE2-CD1 3.99Å; Y202-L312 HydrophobicContact CE2-CD2 3.37Å; Y202-L312 HydrophobicContact CE2-CG 4.34Å; I205-L312 HydrophobicContact CD1-CD2 3.92Å; I308-L312 HydrophobicContact CG2-CD1 3.79Å; I308-L312 HydrophobicContact CG2-CG 4.28Å; I308-L312 VanDerWaalsContact O-CG 3.25Å; I308-L312 WeakPolarHBondContact O-CG 3.39Å; I308-L312 PolarHBondContact O-N 2.86Å; C309-L312 PolarHBondContact O-N 2.96Å; L312-G316 PolarHBondContact O-N 3.4Å; L312-K317 HydrophobicContact CB-CB 4.3Å; L312-K317 HydrophobicContact CD2-CB 4.14Å; L312-K317 HydrophobicContact CD2-CG 3.94Å; L312-K317 WeakPolarHBondContact O-CB 3.27Å; L312-K317 PolarHBondContact O-N 3.35Å; L312-F318 HydrophobicContact CB-CD2 4.06Å; L312-F318 HydrophobicContact CB-CE2 4.46Å; L312-F318 HydrophobicContact CD1-CE2 4.24Å; L312-F327 HydrophobicContact CD1-CD1 4.32Å; L312-F327 HydrophobicContact CD1-CE1 4.29Å
313	L	98.8	Very high	98.1	Very high	12 Å²	12	37.1 Å²	37.1	6%	0.063	18%	0.182	C	C	.	.	H	α-helix	trans	-71.3	-45.5	169.3	-64.3	161.9	0	0	0	111.5	C309 A310 Y311 R315 G316 F318 A321 A324 V348 L355	C309-L313 VanDerWaalsContact O-CG 3.31Å; C309-L313 WeakPolarHBondContact O-CG 3.46Å; C309-L313 PolarHBondContact O-N 3.39Å; A310-L313 PolarHBondContact O-N 2.71Å; Y311-L313 VanDerWaalsContact C-N 3.29Å; Y311-L313 PolarHBondContact O-N 3.42Å; L313-R315 PolarHBondContact O-N 2.96Å; L313-G316 PolarHBondContact O-N 3.43Å; L313-F318 HydrophobicContact CD2-CB 4.12Å; L313-A321 HydrophobicContact CD1-CB 4.46Å; L313-A324 HydrophobicContact CD2-CB 4.29Å; L313-A324 HydrophobicContact CG-CB 4.2Å; L313-V348 HydrophobicContact CD1-CG1 3.58Å; L313-L355 HydrophobicContact CB-CD1 3.79Å
314	H	98.6	Very high	98.1	Very high	53 Å²	53	37 Å²	37	25%	0.245	18%	0.182	C	C	.	.	H	α-helix	trans	-53.7	-37	176.6	-172.3	104.3	0	0	0	112.2	C278 A310 Y311 Y351 L355	C278-H314 HydrophobicContact CB-CB 4.03Å; A310-H314 WeakPolarHBondContact O-CB 3.11Å; A310-H314 PolarHBondContact O-N 3.01Å; Y311-H314 WeakPolarHBondContact O-CB 3.46Å; Y311-H314 PolarHBondContact O-N 3.46Å; H314-Y351 HydrophobicContact CB-CE1 4.17Å; H314-Y351 AromaticContact ND1-CZ 3.99Å; H314-Y351 PolarHBondContact ND1-OH 2.92Å; H314-L355 HydrophobicContact CB-CD1 4.45Å
315	R	98.1	Very high	98.1	Very high	111 Å²	111	37.1 Å²	37.1	42%	0.419	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	13.2	178.2	-64	-64.9	-74	-179	-22.6	114.7	D282 Y311 L313 K317	D282-R315 VanDerWaalsContact CG-CD 3.45Å; D282-R315 WeakPolarHBondContact OD1-CD 3.26Å; D282-R315 IonicContact OD1-CZ 3.48Å; D282-R315 IonicContact OD1-NE 3.41Å; D282-R315 PolarHBondContact OD1-NE 3.33Å; D282-R315 IonicContact OD1-NH1 2.73Å; D282-R315 PolarHBondContact OD1-NH1 2.68Å; D282-R315 IonicContact OD1-NH2 3.59Å; D282-R315 PolarHBondContact OD1-NH2 3.37Å; D282-R315 WeakPolarHBondContact OD2-CD 3.46Å; D282-R315 IonicContact OD2-CZ 3.73Å; D282-R315 IonicContact OD2-NE 3.81Å; D282-R315 PolarHBondContact OD2-NE 3.18Å; D282-R315 IonicContact OD2-NH1 2.95Å; D282-R315 PolarHBondContact OD2-NH1 3.43Å; D282-R315 IonicContact OD2-NH2 2.62Å; D282-R315 PolarHBondContact OD2-NH2 3.07Å; Y311-R315 HydrophobicContact CD2-CG 4.1Å; Y311-R315 HydrophobicContact CE1-CG 4.39Å; Y311-R315 HydrophobicContact CE2-CG 3.5Å; Y311-R315 VanDerWaalsContact CE2-CG 3.5Å; Y311-R315 PolarHBondContact O-N 3.11Å; L313-R315 PolarHBondContact O-N 2.96Å; R315-K317 HydrophobicContact CB-CG 4.33Å; R315-K317 PolarHBondContact O-N 3.35Å; R315-K317 VanDerWaalsContact O-N 3.14Å
316	G	97.8	Very high	98.1	Very high	51 Å²	51	40.4 Å²	40.4	53%	0.526	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	28	176.6	0	0	0	0	0	114.2	L312 L313 F318	L312-G316 PolarHBondContact O-N 3.4Å; L313-G316 PolarHBondContact O-N 3.43Å; G316-F318 VanDerWaalsContact C-N 3.31Å
317	K	98.3	Very high	98	Very high	123 Å²	123	42.9 Å²	42.9	54%	0.535	21%	0.211	S	C	.	.	S	Bend	trans	-74.7	-27.5	174.5	-58.8	-57.1	-173	-175.9	0	111.6	L312 R315	L312-K317 HydrophobicContact CB-CB 4.3Å; L312-K317 HydrophobicContact CD2-CB 4.14Å; L312-K317 HydrophobicContact CD2-CG 3.94Å; L312-K317 WeakPolarHBondContact O-CB 3.27Å; L312-K317 PolarHBondContact O-N 3.35Å; R315-K317 HydrophobicContact CB-CG 4.33Å; R315-K317 PolarHBondContact O-N 3.35Å; R315-K317 VanDerWaalsContact O-N 3.14Å
318	F	98.1	Very high	98	Very high	38 Å²	38	42.9 Å²	42.9	17%	0.167	21%	0.211	C	C	.	.			trans	-132	155.7	169	-63.6	-75.9	0	0	0	108.6	L312 L313 G316 E323 A324 F327	L312-F318 HydrophobicContact CB-CD2 4.06Å; L312-F318 HydrophobicContact CB-CE2 4.46Å; L312-F318 HydrophobicContact CD1-CE2 4.24Å; L313-F318 HydrophobicContact CD2-CB 4.12Å; G316-F318 VanDerWaalsContact C-N 3.31Å; F318-E323 HydrophobicContact CB-CB 4.16Å; F318-E323 HydrophobicContact CD1-CB 3.61Å; F318-E323 HydrophobicContact CE1-CB 4.41Å; F318-E323 HydrophobicContact CG-CB 4.14Å; F318-A324 HydrophobicContact CB-CB 4.07Å; F318-A324 HydrophobicContact CD2-CB 3.78Å; F318-A324 HydrophobicContact CG-CB 4.02Å; F318-F327 HydrophobicContact CE1-CB 4.1Å; F318-F327 HydrophobicContact CE1-CG 4.3Å; F318-F327 HydrophobicContact CE2-CB 4.15Å; F318-F327 AromaticContact CE2-CD1 3.62Å; F318-F327 HydrophobicContact CE2-CD1 3.62Å; F318-F327 HydrophobicContact CE2-CE1 4.19Å; F318-F327 AromaticContact CE2-CG 3.91Å; F318-F327 HydrophobicContact CE2-CG 3.91Å; F318-F327 HydrophobicContact CZ-CB 3.59Å; F318-F327 AromaticContact CZ-CD1 3.6Å; F318-F327 HydrophobicContact CZ-CD1 3.6Å; F318-F327 AromaticContact CZ-CD2 3.86Å; F318-F327 HydrophobicContact CZ-CD2 3.86Å; F318-F327 HydrophobicContact CZ-CE1 4.22Å; F318-F327 HydrophobicContact CZ-CE2 4.44Å; F318-F327 AromaticContact CZ-CG 3.39Å; F318-F327 HydrophobicContact CZ-CG 3.39Å
319	L	93.8	Very high	97.9	Very high	142 Å²	142	42.9 Å²	42.9	74%	0.743	21%	0.211	S	C	*	.	S	Bend	trans	-102.8	-19.6	177.3	-62.4	-179.9	0	0	0	111.9	E323	L319-E323 PolarHBondContact N-OE2 2.8Å
320	K	95.9	Very high	97.8	Very high	89 Å²	89	46.8 Å²	46.8	39%	0.387	23%	0.229	S	C	.	.	S	Bend	trans	-124.4	142.2	-179.5	-51.6	-173.6	178.5	-145.8	0	112.2	Q322 E323 A324 D470	K320-Q322 VanDerWaalsContact C-N 3.29Å; K320-Q322 PolarHBondContact O-N 2.93Å; K320-E323 HydrophobicContact CB-CG 3.97Å; K320-E323 WeakPolarHBondContact CG-OE1 3.36Å; K320-E323 PolarHBondContact N-OE2 3.49Å; K320-E323 WeakPolarHBondContact O-CB 3.5Å; K320-E323 PolarHBondContact O-N 2.93Å; K320-E323 VanDerWaalsContact O-N 3.15Å; K320-A324 PolarHBondContact O-N 3.32Å; K320-D470 WeakPolarHBondContact CD-OD1 3.4Å; K320-D470 VanDerWaalsContact CE-OD1 3.25Å; K320-D470 WeakPolarHBondContact CE-OD1 3.34Å; K320-D470 IonicContact NZ-OD1 3.18Å; K320-D470 PolarHBondContact NZ-OD1 3.03Å
321	A	97.3	Very high	97.7	Very high	2 Å²	2	48.4 Å²	48.4	2%	0.017	24%	0.239	C	C	.	.	H	α-helix	trans	-53.7	-43	176.5	0	0	0	0	0	113.2	L313 E323 A324 L325 V348 Y349	L313-A321 HydrophobicContact CD1-CB 4.46Å; A321-E323 VanDerWaalsContact C-N 3.35Å; A321-E323 PolarHBondContact O-N 3.33Å; A321-A324 PolarHBondContact O-N 2.67Å; A321-L325 HydrophobicContact CB-CD1 4.43Å; A321-L325 WeakPolarHBondContact O-CB 3.15Å; A321-L325 WeakPolarHBondContact O-CD1 3.4Å; A321-L325 WeakPolarHBondContact O-CG 3.36Å; A321-L325 PolarHBondContact O-N 3.15Å; A321-V348 HydrophobicContact CB-CG1 4.06Å; A321-Y349 HydrophobicContact CB-CD1 3.8Å; A321-Y349 HydrophobicContact CB-CD2 3.77Å; A321-Y349 HydrophobicContact CB-CE1 4.03Å; A321-Y349 HydrophobicContact CB-CE2 3.98Å; A321-Y349 HydrophobicContact CB-CG 3.69Å
322	Q	97.4	Very high	97.6	Very high	63 Å²	63	47.8 Å²	47.8	29%	0.294	24%	0.237	S	C	.	.	H	α-helix	trans	-58.6	-43	178.8	-173.3	63.1	28	0	0	112.5	K320 L325 D326 R345 Y349	K320-Q322 VanDerWaalsContact C-N 3.29Å; K320-Q322 PolarHBondContact O-N 2.93Å; Q322-L325 PolarHBondContact O-N 3.19Å; Q322-D326 PolarHBondContact NE2-OD1 2.93Å; Q322-D326 PolarHBondContact NE2-OD2 2.65Å; Q322-D326 WeakPolarHBondContact O-CB 3.18Å; Q322-D326 PolarHBondContact O-N 2.85Å; Q322-R345 VanDerWaalsContact CD-NH2 3.27Å; Q322-R345 VanDerWaalsContact NE2-NH2 3.17Å; Q322-Y349 PolarHBondContact OE1-OH 2.77Å; Q322-Y349 VanDerWaalsContact OE1-OH 3.07Å
323	E	98	Very high	97.2	Very high	79 Å²	79	47.8 Å²	47.8	37%	0.369	24%	0.237	S	C	.	.	H	α-helix	trans	-61	-47.9	179.4	-60.9	161.9	175.2	0	0	111.2	F318 L319 K320 A321 D326 F327	F318-E323 HydrophobicContact CB-CB 4.16Å; F318-E323 HydrophobicContact CD1-CB 3.61Å; F318-E323 HydrophobicContact CE1-CB 4.41Å; F318-E323 HydrophobicContact CG-CB 4.14Å; L319-E323 PolarHBondContact N-OE2 2.8Å; K320-E323 HydrophobicContact CB-CG 3.97Å; K320-E323 WeakPolarHBondContact CG-OE1 3.36Å; K320-E323 PolarHBondContact N-OE2 3.49Å; K320-E323 WeakPolarHBondContact O-CB 3.5Å; K320-E323 PolarHBondContact O-N 2.93Å; K320-E323 VanDerWaalsContact O-N 3.15Å; A321-E323 VanDerWaalsContact C-N 3.35Å; A321-E323 PolarHBondContact O-N 3.33Å; E323-D326 PolarHBondContact O-N 3.41Å; E323-F327 VanDerWaalsContact O-CB 3.26Å; E323-F327 WeakPolarHBondContact O-CB 3.13Å; E323-F327 PolarHBondContact O-N 2.93Å
324	A	98.6	Very high	96.8	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.1	-41.9	178.3	0	0	0	0	0	112.1	C309 L313 F318 K320 A321 Y328	C309-A324 HydrophobicContact CB-CB 4.07Å; C309-A324 PolarHBondContact SG-O 3.24Å; C309-A324 VanDerWaalsContact SG-O 3.39Å; L313-A324 HydrophobicContact CD2-CB 4.29Å; L313-A324 HydrophobicContact CG-CB 4.2Å; F318-A324 HydrophobicContact CB-CB 4.07Å; F318-A324 HydrophobicContact CD2-CB 3.78Å; F318-A324 HydrophobicContact CG-CB 4.02Å; K320-A324 PolarHBondContact O-N 3.32Å; A321-A324 PolarHBondContact O-N 2.67Å; A324-Y328 WeakPolarHBondContact O-CB 3.26Å; A324-Y328 PolarHBondContact O-N 3.23Å
325	L	98.4	Very high	96.3	Very high	2 Å²	2	54 Å²	54	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-63.3	-41.7	178.6	-74.9	165.3	0	0	0	112.2	A321 Q322 G329 V339 R345 V348 Y349	A321-L325 HydrophobicContact CB-CD1 4.43Å; A321-L325 WeakPolarHBondContact O-CB 3.15Å; A321-L325 WeakPolarHBondContact O-CD1 3.4Å; A321-L325 WeakPolarHBondContact O-CG 3.36Å; A321-L325 PolarHBondContact O-N 3.15Å; Q322-L325 PolarHBondContact O-N 3.19Å; L325-G329 PolarHBondContact O-N 3.31Å; L325-V339 HydrophobicContact CD2-CB 3.76Å; L325-V339 HydrophobicContact CD2-CG1 4.18Å; L325-V339 HydrophobicContact CD2-CG2 4.04Å; L325-R345 HydrophobicContact CD1-CB 4.18Å; L325-R345 HydrophobicContact CD1-CG 4.33Å; L325-R345 HydrophobicContact CD2-CG 4.37Å; L325-V348 HydrophobicContact CD1-CB 4.4Å; L325-V348 HydrophobicContact CD1-CG1 4.42Å; L325-V348 HydrophobicContact CD2-CB 4.29Å; L325-V348 HydrophobicContact CD2-CG1 4.38Å; L325-V348 HydrophobicContact CD2-CG2 4.04Å; L325-V348 HydrophobicContact CG-CB 4.46Å; L325-V348 HydrophobicContact CG-CG1 4.19Å; L325-Y349 HydrophobicContact CD1-CD2 4.18Å; L325-Y349 HydrophobicContact CD1-CE2 3.78Å
326	D	98.1	Very high	96	Very high	69 Å²	69	55.1 Å²	55.1	37%	0.369	27%	0.268	S	S	.	.	H	α-helix	trans	-76.5	-42.6	-179.9	-70.3	-12.2	0	0	0	111.3	Q322 E323 Y328 G329 E330 R345	Q322-D326 PolarHBondContact NE2-OD1 2.93Å; Q322-D326 PolarHBondContact NE2-OD2 2.65Å; Q322-D326 WeakPolarHBondContact O-CB 3.18Å; Q322-D326 PolarHBondContact O-N 2.85Å; E323-D326 PolarHBondContact O-N 3.41Å; D326-Y328 PolarHBondContact O-N 2.74Å; D326-G329 CarbonylContact O-C 3.59Å; D326-G329 WeakPolarHBondContact O-CA 3.4Å; D326-G329 PolarHBondContact O-N 3.17Å; D326-G329 VanDerWaalsContact O-N 3.07Å; D326-E330 WeakPolarHBondContact O-CG 3.37Å; D326-E330 PolarHBondContact O-N 2.84Å; D326-R345 IonicContact OD1-NH2 3.53Å
327	F	98.6	Very high	95.7	Very high	52 Å²	52	58.4 Å²	58.4	23%	0.228	27%	0.268	C	S	.	.	H	α-helix	trans	-55.8	-48.2	171.8	171	-100.4	0	0	0	111.8	I201 Y202 L312 F318 E323 G329 E330 V331	I201-F327 HydrophobicContact CG2-CD1 4.44Å; I201-F327 HydrophobicContact CG2-CE1 3.72Å; I201-F327 WeakPolarHBondContact O-CZ 3.48Å; Y202-F327 HydrophobicContact CD2-CE1 4.12Å; Y202-F327 HydrophobicContact CD2-CZ 4.34Å; Y202-F327 HydrophobicContact CE2-CD1 4.49Å; Y202-F327 AromaticContact CE2-CE1 3.46Å; Y202-F327 HydrophobicContact CE2-CE1 3.46Å; Y202-F327 VanDerWaalsContact CE2-CE1 3.46Å; Y202-F327 AromaticContact CE2-CZ 3.72Å; Y202-F327 HydrophobicContact CE2-CZ 3.72Å; Y202-F327 AromaticContact CZ-CZ 3.93Å; L312-F327 HydrophobicContact CD1-CD1 4.32Å; L312-F327 HydrophobicContact CD1-CE1 4.29Å; F318-F327 HydrophobicContact CE1-CB 4.1Å; F318-F327 HydrophobicContact CE1-CG 4.3Å; F318-F327 HydrophobicContact CE2-CB 4.15Å; F318-F327 AromaticContact CE2-CD1 3.62Å; F318-F327 HydrophobicContact CE2-CD1 3.62Å; F318-F327 HydrophobicContact CE2-CE1 4.19Å; F318-F327 AromaticContact CE2-CG 3.91Å; F318-F327 HydrophobicContact CE2-CG 3.91Å; F318-F327 HydrophobicContact CZ-CB 3.59Å; F318-F327 AromaticContact CZ-CD1 3.6Å; F318-F327 HydrophobicContact CZ-CD1 3.6Å; F318-F327 AromaticContact CZ-CD2 3.86Å; F318-F327 HydrophobicContact CZ-CD2 3.86Å; F318-F327 HydrophobicContact CZ-CE1 4.22Å; F318-F327 HydrophobicContact CZ-CE2 4.44Å; F318-F327 AromaticContact CZ-CG 3.39Å; F318-F327 HydrophobicContact CZ-CG 3.39Å; E323-F327 VanDerWaalsContact O-CB 3.26Å; E323-F327 WeakPolarHBondContact O-CB 3.13Å; E323-F327 PolarHBondContact O-N 2.93Å; F327-G329 VanDerWaalsContact C-N 3.3Å; F327-G329 PolarHBondContact O-N 2.92Å; F327-E330 PolarHBondContact O-N 2.75Å; F327-V331 HydrophobicContact CD2-CG2 4.02Å; F327-V331 HydrophobicContact CE1-CG2 4.35Å; F327-V331 HydrophobicContact CE2-CG2 3.66Å; F327-V331 HydrophobicContact CZ-CG2 3.84Å; F327-V331 WeakPolarHBondContact O-CG2 3.41Å; F327-V331 PolarHBondContact O-N 2.82Å
328	Y	98.4	Very high	95.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61	-40.3	175	177.1	-97.7	0	0	0	111.8	I201 A207 G300 K301 G305 I308 A324 D326 R332 V339	I201-Y328 HydrophobicContact CD1-CD2 3.85Å; I201-Y328 HydrophobicContact CD1-CE2 3.8Å; I201-Y328 HydrophobicContact CG1-CD2 4.13Å; I201-Y328 HydrophobicContact CG1-CE2 4.07Å; I201-Y328 HydrophobicContact CG2-CD2 4.34Å; A207-Y328 HydrophobicContact CB-CE2 4.09Å; G300-Y328 PolarHBondContact O-OH 2.99Å; K301-Y328 PolarHBondContact O-OH 2.82Å; G305-Y328 PolarHBondContact N-OH 3.21Å; I308-Y328 HydrophobicContact CB-CD2 4.48Å; I308-Y328 HydrophobicContact CD1-CE2 4.13Å; I308-Y328 HydrophobicContact CG2-CD2 4.16Å; A324-Y328 WeakPolarHBondContact O-CB 3.26Å; A324-Y328 PolarHBondContact O-N 3.23Å; D326-Y328 PolarHBondContact O-N 2.74Å; Y328-R332 HydrophobicContact CD2-CB 4.46Å; Y328-R332 HydrophobicContact CE1-CB 4.24Å; Y328-R332 HydrophobicContact CE1-CG 4.36Å; Y328-R332 HydrophobicContact CE2-CB 4.08Å; Y328-R332 HydrophobicContact CE2-CG 4.26Å; Y328-R332 WeakPolarHBondContact O-CB 3.11Å; Y328-R332 PolarHBondContact O-N 2.96Å; Y328-V339 HydrophobicContact CD1-CG2 4.18Å; Y328-V339 HydrophobicContact CE1-CG2 4.3Å
329	G	96.5	Very high	95.4	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.2	-50.2	174.6	0	0	0	0	0	112.7	L325 D326 F327 T333 K336	L325-G329 PolarHBondContact O-N 3.31Å; D326-G329 CarbonylContact O-C 3.59Å; D326-G329 WeakPolarHBondContact O-CA 3.4Å; D326-G329 PolarHBondContact O-N 3.17Å; D326-G329 VanDerWaalsContact O-N 3.07Å; F327-G329 VanDerWaalsContact C-N 3.3Å; F327-G329 PolarHBondContact O-N 2.92Å; G329-T333 PolarHBondContact O-N 2.83Å; G329-T333 VanDerWaalsContact O-N 3.11Å; G329-T333 PolarHBondContact O-OG1 2.86Å; G329-K336 WeakPolarHBondContact CA-O 3.4Å
330	E	96.6	Very high	95.5	Very high	82 Å²	82	47.5 Å²	47.5	38%	0.383	22%	0.222	S	C	.	.	H	α-helix	trans	-63.4	-46	179	-71.6	-167.7	167.1	0	0	112.6	R187 D326 F327 K336	R187-E330 VanDerWaalsContact CZ-O 3.26Å; R187-E330 PolarHBondContact NE-O 2.68Å; R187-E330 PolarHBondContact NH2-O 3.04Å; D326-E330 WeakPolarHBondContact O-CG 3.37Å; D326-E330 PolarHBondContact O-N 2.84Å; F327-E330 PolarHBondContact O-N 2.75Å; E330-K336 HydrophobicContact CG-CD 3.76Å; E330-K336 HydrophobicContact CG-CG 3.96Å; E330-K336 WeakPolarHBondContact OE1-CE 3.47Å; E330-K336 IonicContact OE1-NZ 4Å; E330-K336 PolarHBondContact OE1-NZ 2.95Å
331	V	96.8	Very high	95.5	Very high	35 Å²	35	44.8 Å²	44.8	21%	0.212	21%	0.211	C	C	.	.	H	α-helix	trans	-73.7	-43.6	-177.3	180	0	0	0	0	111.5	R187 T199 Y200 I201 F327	R187-V331 WeakPolarHBondContact CD-O 3.13Å; R187-V331 PolarHBondContact NE-O 3.11Å; T199-V331 HydrophobicContact CG2-CG1 4.19Å; Y200-V331 WeakPolarHBondContact O-CG1 3.39Å; I201-V331 HydrophobicContact CD1-CB 4.39Å; I201-V331 HydrophobicContact CD1-CG1 4.03Å; F327-V331 HydrophobicContact CD2-CG2 4.02Å; F327-V331 HydrophobicContact CE1-CG2 4.35Å; F327-V331 HydrophobicContact CE2-CG2 3.66Å; F327-V331 HydrophobicContact CZ-CG2 3.84Å; F327-V331 WeakPolarHBondContact O-CG2 3.41Å; F327-V331 PolarHBondContact O-N 2.82Å
332	R	95.9	Very high	95.6	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-77.4	-22.3	-176.1	-172.4	53.3	173.1	129.2	7.3	114	R187 D197 T199 I201 G300 Y328	R187-R332 PolarHBondContact N-O 2.83Å; R187-R332 PolarHBondContact O-NH1 3.17Å; R187-R332 VanDerWaalsContact O-NH1 3.16Å; D197-R332 IonicContact OD1-CZ 2.76Å; D197-R332 VanDerWaalsContact OD1-CZ 3.28Å; D197-R332 IonicContact OD1-NH1 3.8Å; D197-R332 PolarHBondContact OD1-NH1 3.14Å; D197-R332 IonicContact OD1-NH2 2.67Å; D197-R332 PolarHBondContact OD1-NH2 2.96Å; D197-R332 IonicContact OD2-NH2 2.63Å; T199-R332 VanDerWaalsContact OG1-CD 3.31Å; T199-R332 WeakPolarHBondContact OG1-CD 3.5Å; T199-R332 PolarHBondContact OG1-NH1 2.77Å; I201-R332 HydrophobicContact CD1-CB 4.01Å; G300-R332 PolarHBondContact O-NE 3.36Å; G300-R332 PolarHBondContact O-NH2 2.76Å; Y328-R332 HydrophobicContact CD2-CB 4.46Å; Y328-R332 HydrophobicContact CE1-CB 4.24Å; Y328-R332 HydrophobicContact CE1-CG 4.36Å; Y328-R332 HydrophobicContact CE2-CB 4.08Å; Y328-R332 HydrophobicContact CE2-CG 4.26Å; Y328-R332 WeakPolarHBondContact O-CB 3.11Å; Y328-R332 PolarHBondContact O-N 2.96Å
333	T	92.1	Very high	95.6	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.006	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-129.6	166.6	-173.6	71.9	0	0	0	0	113.9	N185 K186 R187 G329 D335 K336 K337	N185-T333 CarbonylContact O-C 3.54Å; N185-T333 VanDerWaalsContact O-CA 3.32Å; N185-T333 WeakPolarHBondContact O-CA 3.4Å; N185-T333 WeakPolarHBondContact O-CB 3.38Å; K186-T333 HydrophobicContact CG-CG2 4.47Å; R187-T333 PolarHBondContact NE-O 3.26Å; G329-T333 PolarHBondContact O-N 2.83Å; G329-T333 VanDerWaalsContact O-N 3.11Å; G329-T333 PolarHBondContact O-OG1 2.86Å; T333-D335 WeakPolarHBondContact CB-OD1 3.41Å; T333-D335 PolarHBondContact OG1-OD1 3.04Å; T333-K336 VanDerWaalsContact OG1-C 3.31Å; T333-K336 VanDerWaalsContact OG1-CA 3.27Å; T333-K336 WeakPolarHBondContact OG1-CA 3.49Å; T333-K336 PolarHBondContact OG1-N 2.88Å; T333-K336 VanDerWaalsContact OG1-N 3.1Å; T333-K337 PolarHBondContact OG1-N 3.08Å
334	R	89.7	Confident	95.6	Very high	149 Å²	149	38.7 Å²	38.7	56%	0.562	18%	0.184	S	C	*	.	S	Bend	trans	-90.5	-24.2	171.9	-65.2	178.1	173.5	162	-2.2	111.6	E180 N185 R187	E180-R334 IonicContact OE1-NH1 2.78Å; N185-R334 PolarHBondContact O-N 3.38Å; R187-R334 HydrophobicContact CG-CG 4.46Å
335	D	89.2	Confident	95.6	Very high	46 Å²	46	41.3 Å²	41.3	25%	0.246	19%	0.194	C	C	.	.	S	Bend	trans	-105.9	12.3	-175.2	67	-13.8	0	0	0	114	N185 T333 K337	N185-D335 HydrophobicContact CB-CB 4.08Å; N185-D335 PolarHBondContact ND2-OD2 3.27Å; T333-D335 WeakPolarHBondContact CB-OD1 3.41Å; T333-D335 PolarHBondContact OG1-OD1 3.04Å; D335-K337 PolarHBondContact O-N 3.42Å; D335-K337 WeakPolarHBondContact OD1-CB 3.31Å; D335-K337 PolarHBondContact OD1-N 2.95Å; D335-K337 WeakPolarHBondContact OD2-CD 3.41Å
336	K	91.6	Very high	95.6	Very high	134 Å²	134	42.3 Å²	42.3	58%	0.583	20%	0.197	S	C	*	.	S	Bend	trans	57.6	1.4	-172.4	-51.2	-164.9	177.9	-167.5	0	115.5	G329 E330 T333 G338	G329-K336 WeakPolarHBondContact CA-O 3.4Å; E330-K336 HydrophobicContact CG-CD 3.76Å; E330-K336 HydrophobicContact CG-CG 3.96Å; E330-K336 WeakPolarHBondContact OE1-CE 3.47Å; E330-K336 IonicContact OE1-NZ 4Å; E330-K336 PolarHBondContact OE1-NZ 2.95Å; T333-K336 VanDerWaalsContact OG1-C 3.31Å; T333-K336 VanDerWaalsContact OG1-CA 3.27Å; T333-K336 WeakPolarHBondContact OG1-CA 3.49Å; T333-K336 PolarHBondContact OG1-N 2.88Å; T333-K336 VanDerWaalsContact OG1-N 3.1Å; K336-G338 VanDerWaalsContact C-N 3.31Å; K336-G338 PolarHBondContact O-N 3.49Å
337	K	90.3	Very high	95.6	Very high	121 Å²	121	39 Å²	39	53%	0.526	18%	0.18	S	C	.	.			trans	-81.7	74	-175.2	-70.7	177.4	-163.8	164.2	0	110.4	K301 T333 D335 T340	K301-K337 WeakPolarHBondContact CE-O 3.42Å; K301-K337 PolarHBondContact NZ-O 3.29Å; T333-K337 PolarHBondContact OG1-N 3.08Å; D335-K337 PolarHBondContact O-N 3.42Å; D335-K337 WeakPolarHBondContact OD1-CB 3.31Å; D335-K337 PolarHBondContact OD1-N 2.95Å; D335-K337 WeakPolarHBondContact OD2-CD 3.41Å; K337-T340 HydrophobicContact CB-CG2 3.67Å; K337-T340 HydrophobicContact CG-CG2 4.19Å
338	G	93.9	Very high	95.7	Very high	4 Å²	4	36.6 Å²	36.6	4%	0.041	17%	0.169	C	C	.	.	S	Bend	trans	-71.9	-103.4	174.2	0	0	0	0	0	112.9	K301 K336 T340	K301-G338 VanDerWaalsContact CE-O 3.3Å; K301-G338 WeakPolarHBondContact CE-O 3.38Å; K336-G338 VanDerWaalsContact C-N 3.31Å; K336-G338 PolarHBondContact O-N 3.49Å; G338-T340 PolarHBondContact O-N 3.13Å
339	V	97	Very high	95.6	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	18%	0.176	C	C	.	.	S	Bend	trans	-85.1	101.7	173.6	-175.5	0	0	0	0	109.1	V306 L325 Y328 Q344 R345	V306-V339 HydrophobicContact CG2-CG1 4.06Å; L325-V339 HydrophobicContact CD2-CB 3.76Å; L325-V339 HydrophobicContact CD2-CG1 4.18Å; L325-V339 HydrophobicContact CD2-CG2 4.04Å; Y328-V339 HydrophobicContact CD1-CG2 4.18Å; Y328-V339 HydrophobicContact CE1-CG2 4.3Å; V339-Q344 HydrophobicContact CG1-CB 3.57Å; V339-R345 HydrophobicContact CG1-CG 3.98Å; V339-R345 WeakPolarHBondContact O-CD 3.43Å; V339-R345 WeakPolarHBondContact O-CG 3.37Å; V339-R345 PolarHBondContact O-NH1 2.75Å
340	T	94.8	Very high	95.7	Very high	69 Å²	69	38.9 Å²	38.9	42%	0.423	18%	0.178	S	C	.	.			trans	-107.9	-3.4	-173.5	59.9	0	0	0	0	114.9	K337 G338 P342	K337-T340 HydrophobicContact CB-CG2 3.67Å; K337-T340 HydrophobicContact CG-CG2 4.19Å; G338-T340 PolarHBondContact O-N 3.13Å; T340-P342 WeakPolarHBondContact O-CD 3.12Å
341	I	97.3	Very high	95.8	Very high	31 Å²	31	35.4 Å²	35.4	16%	0.159	16%	0.162	C	C	.	.			trans	-88.9	118.7	178.8	-60.7	-179.4	0	0	0	107.4	H266 S343 Q344 R345 D499	H266-I341 HydrophobicContact CB-CD1 3.84Å; H266-I341 WeakPolarHBondContact O-CD1 3.1Å; I341-S343 VanDerWaalsContact C-N 3.31Å; I341-S343 PolarHBondContact O-N 2.83Å; I341-Q344 HydrophobicContact CB-CB 4.03Å; I341-Q344 HydrophobicContact CB-CG 4.01Å; I341-Q344 HydrophobicContact CG2-CB 4.45Å; I341-Q344 HydrophobicContact CG2-CG 4.17Å; I341-Q344 WeakPolarHBondContact O-CA 3.37Å; I341-Q344 WeakPolarHBondContact O-CB 3.46Å; I341-Q344 PolarHBondContact O-N 3.33Å; I341-R345 PolarHBondContact O-N 3.39Å; I341-D499 HydrophobicContact CG2-CB 4.42Å; I341-D499 WeakPolarHBondContact CG2-OD1 3.36Å
342	P	98.1	Very high	95.9	Very high	14 Å²	14	34.4 Å²	34.4	9%	0.091	16%	0.156	C	C	.	.	H	α-helix	trans	-50.4	-44.8	-177.6	-32.4	36.4	0	0	0	114.5	T340 Q344 R345 R346 N496 D497 D499 N502	T340-P342 WeakPolarHBondContact O-CD 3.12Å; P342-Q344 VanDerWaalsContact C-N 3.31Å; P342-Q344 PolarHBondContact O-N 2.87Å; P342-R345 PolarHBondContact O-N 2.87Å; P342-R346 WeakPolarHBondContact O-CB 3.44Å; P342-R346 PolarHBondContact O-N 2.87Å; P342-N496 WeakPolarHBondContact CG-O 3.18Å; P342-D497 VanDerWaalsContact CB-C 3.47Å; P342-D497 VanDerWaalsContact CB-O 3.28Å; P342-D497 WeakPolarHBondContact CB-O 3.43Å; P342-D499 WeakPolarHBondContact CD-OD1 3.04Å; P342-N502 VanDerWaalsContact CD-ND2 3.28Å; P342-N502 WeakPolarHBondContact CD-ND2 3.47Å; P342-N502 HydrophobicContact CG-CB 4.03Å; P342-N502 VanDerWaalsContact CG-ND2 3.35Å; P342-N502 WeakPolarHBondContact CG-ND2 3.49Å
343	S	98.3	Very high	95.9	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-33.6	176.1	-63.9	0	0	0	0	113.5	I341 R346 Y347 W447 D499	I341-S343 VanDerWaalsContact C-N 3.31Å; I341-S343 PolarHBondContact O-N 2.83Å; S343-R346 PolarHBondContact OG-NH1 3.06Å; S343-Y347 WeakPolarHBondContact O-CD2 3.4Å; S343-Y347 PolarHBondContact O-N 2.81Å; S343-W447 PolarHBondContact OG-N 3.01Å; S343-D499 WeakPolarHBondContact CB-OD2 3.38Å; S343-D499 PolarHBondContact N-OD1 2.81Å; S343-D499 VanDerWaalsContact OG-CG 3.31Å; S343-D499 PolarHBondContact OG-OD1 3.08Å; S343-D499 PolarHBondContact OG-OD2 3.09Å
344	Q	98.4	Very high	96.1	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.014	17%	0.166	C	C	.	.	H	α-helix	trans	-69.1	-38.7	173.2	-73.1	-175	-19.6	0	0	111.8	N267 G302 V306 V339 I341 P342	N267-Q344 WeakPolarHBondContact O-CG 3.43Å; N267-Q344 PolarHBondContact O-NE2 3.38Å; G302-Q344 VanDerWaalsContact CA-OE1 3.29Å; V306-Q344 HydrophobicContact CG2-CB 3.6Å; V306-Q344 HydrophobicContact CG2-CG 4.07Å; V306-Q344 WeakPolarHBondContact CG2-O 3.5Å; V339-Q344 HydrophobicContact CG1-CB 3.57Å; I341-Q344 HydrophobicContact CB-CB 4.03Å; I341-Q344 HydrophobicContact CB-CG 4.01Å; I341-Q344 HydrophobicContact CG2-CB 4.45Å; I341-Q344 HydrophobicContact CG2-CG 4.17Å; I341-Q344 WeakPolarHBondContact O-CA 3.37Å; I341-Q344 WeakPolarHBondContact O-CB 3.46Å; I341-Q344 PolarHBondContact O-N 3.33Å; P342-Q344 VanDerWaalsContact C-N 3.31Å; P342-Q344 PolarHBondContact O-N 2.87Å
345	R	98.5	Very high	96.4	Very high	55 Å²	55	32.3 Å²	32.3	21%	0.208	15%	0.153	C	C	.	.	H	α-helix	trans	-62.8	-47.8	172.8	-63.3	-177.1	74	87.4	-4.5	110.6	Q322 L325 D326 V339 I341 P342 Y347 V348 Y349	Q322-R345 VanDerWaalsContact CD-NH2 3.27Å; Q322-R345 VanDerWaalsContact NE2-NH2 3.17Å; L325-R345 HydrophobicContact CD1-CB 4.18Å; L325-R345 HydrophobicContact CD1-CG 4.33Å; L325-R345 HydrophobicContact CD2-CG 4.37Å; D326-R345 IonicContact OD1-NH2 3.53Å; V339-R345 HydrophobicContact CG1-CG 3.98Å; V339-R345 WeakPolarHBondContact O-CD 3.43Å; V339-R345 WeakPolarHBondContact O-CG 3.37Å; V339-R345 PolarHBondContact O-NH1 2.75Å; I341-R345 PolarHBondContact O-N 3.39Å; P342-R345 PolarHBondContact O-N 2.87Å; R345-Y347 PolarHBondContact O-N 2.85Å; R345-Y347 VanDerWaalsContact O-N 3.16Å; R345-V348 WeakPolarHBondContact O-CA 3.4Å; R345-V348 WeakPolarHBondContact O-CB 3.45Å; R345-V348 PolarHBondContact O-N 2.66Å; R345-Y349 WeakPolarHBondContact O-CD2 3.28Å; R345-Y349 PolarHBondContact O-N 3.03Å; R345-Y349 VanDerWaalsContact O-N 3.13Å
346	R	98.3	Very high	96.6	Very high	23 Å²	23	34.3 Å²	34.3	9%	0.087	16%	0.16	C	C	.	.	H	α-helix	trans	-52.4	-37.8	-178.8	-173.5	176.8	-61.5	108.2	15.1	113.1	P342 S343 Y349 Y350 W447 D497	P342-R346 WeakPolarHBondContact O-CB 3.44Å; P342-R346 PolarHBondContact O-N 2.87Å; S343-R346 PolarHBondContact OG-NH1 3.06Å; R346-Y349 WeakPolarHBondContact O-CB 3.33Å; R346-Y349 PolarHBondContact O-N 3.35Å; R346-Y350 HydrophobicContact CG-CD1 4.24Å; R346-Y350 HydrophobicContact CG-CD2 4.23Å; R346-Y350 HydrophobicContact CG-CE1 3.85Å; R346-Y350 HydrophobicContact CG-CE2 3.82Å; R346-Y350 HydrophobicContact CG-CG 4.45Å; R346-Y350 WeakPolarHBondContact O-CB 3.16Å; R346-Y350 VanDerWaalsContact O-CG 3.28Å; R346-Y350 PolarHBondContact O-N 2.99Å; R346-W447 PolarHBondContact NH1-O 3.48Å; R346-D497 PolarHBondContact NH2-O 2.84Å; R346-D497 IonicContact NH2-OD1 2.96Å
347	Y	98.6	Very high	96.7	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-74.9	-24.9	179.9	-80.6	-125.1	0	0	0	112.9	P268 P269 L271 S343 R345 Y350 Y351 D425 W447	P268-Y347 HydrophobicContact CB-CD1 3.74Å; P268-Y347 HydrophobicContact CB-CD2 3.64Å; P268-Y347 HydrophobicContact CB-CE1 4Å; P268-Y347 HydrophobicContact CB-CE2 3.93Å; P268-Y347 HydrophobicContact CB-CG 3.53Å; P268-Y347 HydrophobicContact CG-CD1 4.36Å; P268-Y347 HydrophobicContact CG-CD2 3.96Å; P268-Y347 HydrophobicContact CG-CE1 4.13Å; P268-Y347 HydrophobicContact CG-CE2 3.73Å; P268-Y347 HydrophobicContact CG-CG 4.27Å; P269-Y347 VanDerWaalsContact O-CD1 3.27Å; P269-Y347 WeakPolarHBondContact O-CD1 3.43Å; P269-Y347 WeakPolarHBondContact O-CE1 3.43Å; L271-Y347 HydrophobicContact CB-CE1 4.38Å; L271-Y347 HydrophobicContact CD1-CD1 4.22Å; S343-Y347 WeakPolarHBondContact O-CD2 3.4Å; S343-Y347 PolarHBondContact O-N 2.81Å; R345-Y347 PolarHBondContact O-N 2.85Å; R345-Y347 VanDerWaalsContact O-N 3.16Å; Y347-Y350 AromaticContact CD2-CD2 3.88Å; Y347-Y350 HydrophobicContact CD2-CD2 3.88Å; Y347-Y350 HydrophobicContact CD2-CE2 4.05Å; Y347-Y350 HydrophobicContact CE2-CD2 4.11Å; Y347-Y350 AromaticContact CE2-CE2 3.88Å; Y347-Y350 HydrophobicContact CE2-CE2 3.88Å; Y347-Y350 HydrophobicContact CG-CD2 4.14Å; Y347-Y351 WeakPolarHBondContact O-CB 3.37Å; Y347-Y351 PolarHBondContact O-N 2.82Å; Y347-Y351 VanDerWaalsContact O-N 3.08Å; Y347-D425 VanDerWaalsContact CE1-OD1 3.31Å; Y347-D425 WeakPolarHBondContact CE1-OD1 3.25Å; Y347-D425 PolarHBondContact OH-OD1 2.98Å; Y347-W447 HydrophobicContact CE2-CB 3.92Å
348	V	98.8	Very high	96.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-70.4	-38.9	167.3	-176.8	0	0	0	0	110.7	V306 C309 L313 A321 L325 R345 Y351 S352	V306-V348 HydrophobicContact CB-CG2 4.27Å; V306-V348 HydrophobicContact CG1-CG2 3.89Å; V306-V348 HydrophobicContact CG2-CG2 4.43Å; C309-V348 HydrophobicContact CB-CG1 3.73Å; C309-V348 HydrophobicContact CB-CG2 4.12Å; L313-V348 HydrophobicContact CD1-CG1 3.58Å; A321-V348 HydrophobicContact CB-CG1 4.06Å; L325-V348 HydrophobicContact CD1-CB 4.4Å; L325-V348 HydrophobicContact CD1-CG1 4.42Å; L325-V348 HydrophobicContact CD2-CB 4.29Å; L325-V348 HydrophobicContact CD2-CG1 4.38Å; L325-V348 HydrophobicContact CD2-CG2 4.04Å; L325-V348 HydrophobicContact CG-CB 4.46Å; L325-V348 HydrophobicContact CG-CG1 4.19Å; R345-V348 WeakPolarHBondContact O-CA 3.4Å; R345-V348 WeakPolarHBondContact O-CB 3.45Å; R345-V348 PolarHBondContact O-N 2.66Å; V348-Y351 PolarHBondContact O-N 2.98Å; V348-S352 WeakPolarHBondContact O-CB 3.35Å; V348-S352 PolarHBondContact O-N 2.86Å
349	Y	98.3	Very high	96.9	Very high	36 Å²	36	36.7 Å²	36.7	14%	0.141	18%	0.177	C	C	.	.	H	α-helix	trans	-64.1	-47	172.7	-84.7	-93.5	0	0	0	112.8	A321 Q322 L325 R345 R346 Y351 S352 Y353 E472	A321-Y349 HydrophobicContact CB-CD1 3.8Å; A321-Y349 HydrophobicContact CB-CD2 3.77Å; A321-Y349 HydrophobicContact CB-CE1 4.03Å; A321-Y349 HydrophobicContact CB-CE2 3.98Å; A321-Y349 HydrophobicContact CB-CG 3.69Å; Q322-Y349 PolarHBondContact OE1-OH 2.77Å; Q322-Y349 VanDerWaalsContact OE1-OH 3.07Å; L325-Y349 HydrophobicContact CD1-CD2 4.18Å; L325-Y349 HydrophobicContact CD1-CE2 3.78Å; R345-Y349 WeakPolarHBondContact O-CD2 3.28Å; R345-Y349 PolarHBondContact O-N 3.03Å; R345-Y349 VanDerWaalsContact O-N 3.13Å; R346-Y349 WeakPolarHBondContact O-CB 3.33Å; R346-Y349 PolarHBondContact O-N 3.35Å; Y349-Y351 VanDerWaalsContact C-N 3.31Å; Y349-Y351 PolarHBondContact O-N 3.41Å; Y349-S352 CarbonylContact O-C 3.48Å; Y349-S352 WeakPolarHBondContact O-CB 3.04Å; Y349-S352 PolarHBondContact O-N 3.01Å; Y349-S352 VanDerWaalsContact O-N 3.16Å; Y349-Y353 PolarHBondContact O-N 2.87Å; Y349-E472 HydrophobicContact CE1-CB 4.18Å; Y349-E472 WeakPolarHBondContact CE1-OE2 3.31Å; Y349-E472 VanDerWaalsContact CZ-OE2 3.26Å; Y349-E472 PolarHBondContact OH-OE2 2.85Å
350	Y	98.1	Very high	96.8	Very high	12 Å²	12	42.6 Å²	42.6	5%	0.047	21%	0.209	C	C	.	.	H	α-helix	trans	-54.6	-46.3	173.7	-73	-18	0	0	0	111.6	L271 R346 Y347 Y353 L354 V448 N449 F452	L271-Y350 HydrophobicContact CD1-CD2 4.18Å; L271-Y350 HydrophobicContact CD1-CG 4.45Å; R346-Y350 HydrophobicContact CG-CD1 4.24Å; R346-Y350 HydrophobicContact CG-CD2 4.23Å; R346-Y350 HydrophobicContact CG-CE1 3.85Å; R346-Y350 HydrophobicContact CG-CE2 3.82Å; R346-Y350 HydrophobicContact CG-CG 4.45Å; R346-Y350 WeakPolarHBondContact O-CB 3.16Å; R346-Y350 VanDerWaalsContact O-CG 3.28Å; R346-Y350 PolarHBondContact O-N 2.99Å; Y347-Y350 AromaticContact CD2-CD2 3.88Å; Y347-Y350 HydrophobicContact CD2-CD2 3.88Å; Y347-Y350 HydrophobicContact CD2-CE2 4.05Å; Y347-Y350 HydrophobicContact CE2-CD2 4.11Å; Y347-Y350 AromaticContact CE2-CE2 3.88Å; Y347-Y350 HydrophobicContact CE2-CE2 3.88Å; Y347-Y350 HydrophobicContact CG-CD2 4.14Å; Y350-Y353 WeakPolarHBondContact O-CB 3.35Å; Y350-Y353 PolarHBondContact O-N 2.87Å; Y350-L354 WeakPolarHBondContact O-CG 3.36Å; Y350-L354 PolarHBondContact O-N 2.95Å; Y350-L354 VanDerWaalsContact O-N 3.09Å; Y350-V448 WeakPolarHBondContact OH-CA 3.23Å; Y350-N449 HydrophobicContact CD2-CB 4.28Å; Y350-N449 HydrophobicContact CE2-CB 3.79Å; Y350-N449 PolarHBondContact OH-N 2.89Å; Y350-F452 VanDerWaalsContact CB-CZ 3.47Å; Y350-F452 HydrophobicContact CD1-CB 3.92Å; Y350-F452 AromaticContact CD1-CD1 3.64Å; Y350-F452 HydrophobicContact CD1-CD1 3.64Å; Y350-F452 AromaticContact CD1-CD2 3.52Å; Y350-F452 HydrophobicContact CD1-CD2 3.52Å; Y350-F452 AromaticContact CD1-CE1 3.99Å; Y350-F452 HydrophobicContact CD1-CE1 3.99Å; Y350-F452 AromaticContact CD1-CE2 3.89Å; Y350-F452 HydrophobicContact CD1-CE2 3.89Å; Y350-F452 AromaticContact CD1-CG 3.39Å; Y350-F452 HydrophobicContact CD1-CG 3.39Å; Y350-F452 HydrophobicContact CD1-CZ 4.12Å; Y350-F452 AromaticContact CD2-CD2 3.9Å; Y350-F452 HydrophobicContact CD2-CD2 3.9Å; Y350-F452 AromaticContact CD2-CE2 3.85Å; Y350-F452 HydrophobicContact CD2-CE2 3.85Å; Y350-F452 HydrophobicContact CE1-CB 3.46Å; Y350-F452 VanDerWaalsContact CE1-CB 3.46Å; Y350-F452 HydrophobicContact CE1-CD1 4.13Å; Y350-F452 AromaticContact CE1-CD2 3.6Å; Y350-F452 HydrophobicContact CE1-CD2 3.6Å; Y350-F452 HydrophobicContact CE1-CE2 4.38Å; Y350-F452 AromaticContact CE1-CG 3.46Å; Y350-F452 HydrophobicContact CE1-CG 3.46Å; Y350-F452 VanDerWaalsContact CE1-CG 3.46Å; Y350-F452 AromaticContact CE2-CD2 3.99Å; Y350-F452 HydrophobicContact CE2-CD2 3.99Å; Y350-F452 HydrophobicContact CE2-CE2 4.36Å; Y350-F452 HydrophobicContact CG-CD1 4.22Å; Y350-F452 AromaticContact CG-CD2 3.65Å; Y350-F452 HydrophobicContact CG-CD2 3.65Å; Y350-F452 HydrophobicContact CG-CE1 4.14Å; Y350-F452 AromaticContact CG-CE2 3.57Å; Y350-F452 HydrophobicContact CG-CE2 3.57Å; Y350-F452 AromaticContact CG-CG 3.99Å; Y350-F452 HydrophobicContact CG-CG 3.99Å; Y350-F452 AromaticContact CG-CZ 3.84Å; Y350-F452 HydrophobicContact CG-CZ 3.84Å; Y350-F452 AromaticContact CZ-CD2 3.81Å; Y350-F452 WeakPolarHBondContact O-CE1 3.31Å
351	Y	98.4	Very high	96.8	Very high	10 Å²	10	41.6 Å²	41.6	4%	0.039	20%	0.198	C	C	.	.	H	α-helix	trans	-67.5	-38.9	176.9	-163.7	-115.6	0	0	0	112.7	I274 K275 A310 H314 Y347 V348 Y349 Y353 L354 L355	I274-Y351 HydrophobicContact CB-CD2 4.05Å; I274-Y351 HydrophobicContact CB-CE2 4.22Å; I274-Y351 HydrophobicContact CB-CG 4.45Å; I274-Y351 HydrophobicContact CG2-CD1 3.75Å; I274-Y351 HydrophobicContact CG2-CD2 3.62Å; I274-Y351 HydrophobicContact CG2-CE1 3.87Å; I274-Y351 HydrophobicContact CG2-CE2 3.8Å; I274-Y351 HydrophobicContact CG2-CG 3.61Å; K275-Y351 HydrophobicContact CB-CE2 4.1Å; A310-Y351 HydrophobicContact CB-CD1 3.64Å; A310-Y351 HydrophobicContact CB-CE1 4.07Å; A310-Y351 HydrophobicContact CB-CG 4.38Å; H314-Y351 HydrophobicContact CB-CE1 4.17Å; H314-Y351 AromaticContact ND1-CZ 3.99Å; H314-Y351 PolarHBondContact ND1-OH 2.92Å; Y347-Y351 WeakPolarHBondContact O-CB 3.37Å; Y347-Y351 PolarHBondContact O-N 2.82Å; Y347-Y351 VanDerWaalsContact O-N 3.08Å; V348-Y351 PolarHBondContact O-N 2.98Å; Y349-Y351 VanDerWaalsContact C-N 3.31Å; Y349-Y351 PolarHBondContact O-N 3.41Å; Y351-Y353 VanDerWaalsContact C-N 3.27Å; Y351-Y353 PolarHBondContact O-N 3.47Å; Y351-L354 HydrophobicContact CD2-CD1 4.42Å; Y351-L354 PolarHBondContact O-N 3.17Å; Y351-L355 HydrophobicContact CD1-CD1 3.78Å; Y351-L355 HydrophobicContact CD1-CG 4.39Å; Y351-L355 HydrophobicContact CE1-CD1 3.69Å; Y351-L355 HydrophobicContact CE1-CG 4.22Å; Y351-L355 WeakPolarHBondContact O-CG 3.42Å; Y351-L355 PolarHBondContact O-N 2.87Å
352	S	97.8	Very high	96.6	Very high	14 Å²	14	47.9 Å²	47.9	10%	0.098	22%	0.219	C	C	.	.	H	α-helix	trans	-59.7	-36	172.2	-159.4	0	0	0	0	112.5	V348 Y349 K356	V348-S352 WeakPolarHBondContact O-CB 3.35Å; V348-S352 PolarHBondContact O-N 2.86Å; Y349-S352 CarbonylContact O-C 3.48Å; Y349-S352 WeakPolarHBondContact O-CB 3.04Å; Y349-S352 PolarHBondContact O-N 3.01Å; Y349-S352 VanDerWaalsContact O-N 3.16Å; S352-K356 WeakPolarHBondContact O-CB 3.3Å; S352-K356 PolarHBondContact O-N 2.85Å
353	Y	95.8	Very high	96.4	Very high	36 Å²	36	50.9 Å²	50.9	14%	0.141	24%	0.239	C	C	.	.	H	α-helix	trans	-70.3	-43	177.2	-178.7	-85	0	0	0	112.1	Y349 Y350 Y351 L355 K356 N357 L359 F452 I473	Y349-Y353 PolarHBondContact O-N 2.87Å; Y350-Y353 WeakPolarHBondContact O-CB 3.35Å; Y350-Y353 PolarHBondContact O-N 2.87Å; Y351-Y353 VanDerWaalsContact C-N 3.27Å; Y351-Y353 PolarHBondContact O-N 3.47Å; Y353-L355 VanDerWaalsContact C-N 3.35Å; Y353-L355 PolarHBondContact O-N 2.83Å; Y353-K356 PolarHBondContact O-N 2.99Å; Y353-N357 VanDerWaalsContact CD2-ND2 3.29Å; Y353-N357 WeakPolarHBondContact CD2-ND2 3.38Å; Y353-N357 VanDerWaalsContact CE2-ND2 3.29Å; Y353-N357 WeakPolarHBondContact CE2-ND2 3.44Å; Y353-N357 WeakPolarHBondContact O-CB 3.47Å; Y353-N357 PolarHBondContact O-N 3.38Å; Y353-N357 VanDerWaalsContact O-N 3.09Å; Y353-N357 PolarHBondContact O-ND2 3.14Å; Y353-L359 HydrophobicContact CD1-CD1 4.2Å; Y353-L359 HydrophobicContact CE1-CD1 3.61Å; Y353-F452 AromaticContact CD1-CD1 3.88Å; Y353-F452 HydrophobicContact CD1-CD1 3.88Å; Y353-F452 AromaticContact CD1-CE1 3.74Å; Y353-F452 HydrophobicContact CD1-CE1 3.74Å; Y353-F452 HydrophobicContact CE1-CD1 4.36Å; Y353-F452 HydrophobicContact CG-CD1 4.32Å; Y353-F452 HydrophobicContact CG-CE1 4.26Å; Y353-I473 HydrophobicContact CD2-CD1 3.85Å; Y353-I473 HydrophobicContact CD2-CG2 4.37Å; Y353-I473 HydrophobicContact CE2-CG2 4.47Å; Y353-I473 HydrophobicContact CG-CD1 4.21Å
354	L	96.4	Very high	96.3	Very high	15 Å²	15	52.4 Å²	52.4	8%	0.079	25%	0.248	C	C	.	.	H	α-helix	trans	-58.9	-46.9	173.7	-66.8	174.7	0	0	0	111	L271 Y350 Y351 H358 L359 F451 F452	L271-L354 HydrophobicContact CD2-CD1 4.26Å; Y350-L354 WeakPolarHBondContact O-CG 3.36Å; Y350-L354 PolarHBondContact O-N 2.95Å; Y350-L354 VanDerWaalsContact O-N 3.09Å; Y351-L354 HydrophobicContact CD2-CD1 4.42Å; Y351-L354 PolarHBondContact O-N 3.17Å; L354-H358 WeakPolarHBondContact O-CA 3.42Å; L354-H358 PolarHBondContact O-N 2.89Å; L354-L359 HydrophobicContact CD2-CB 3.94Å; L354-L359 PolarHBondContact O-N 3.25Å; L354-F451 HydrophobicContact CD2-CD1 4.27Å; L354-F451 HydrophobicContact CD2-CE1 3.45Å; L354-F451 VanDerWaalsContact CD2-CE1 3.45Å; L354-F451 HydrophobicContact CD2-CZ 3.73Å; L354-F452 HydrophobicContact CD1-CZ 4.25Å; L354-F452 HydrophobicContact CD2-CE1 4.29Å; L354-F452 HydrophobicContact CD2-CZ 4.15Å; L354-F452 HydrophobicContact CG-CE1 4.22Å; L354-F452 HydrophobicContact CG-CZ 4Å
355	L	96.5	Very high	96.1	Very high	54 Å²	54	54.4 Å²	54.4	28%	0.283	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-47.1	177.9	-69.2	170.7	0	0	0	112.7	L313 H314 Y351 Y353 N357 H358	L313-L355 HydrophobicContact CB-CD1 3.79Å; H314-L355 HydrophobicContact CB-CD1 4.45Å; Y351-L355 HydrophobicContact CD1-CD1 3.78Å; Y351-L355 HydrophobicContact CD1-CG 4.39Å; Y351-L355 HydrophobicContact CE1-CD1 3.69Å; Y351-L355 HydrophobicContact CE1-CG 4.22Å; Y351-L355 WeakPolarHBondContact O-CG 3.42Å; Y351-L355 PolarHBondContact O-N 2.87Å; Y353-L355 VanDerWaalsContact C-N 3.35Å; Y353-L355 PolarHBondContact O-N 2.83Å; L355-N357 VanDerWaalsContact C-N 3.35Å; L355-N357 PolarHBondContact O-N 2.97Å; L355-H358 PolarHBondContact O-N 3.16Å; L355-H358 PolarHBondContact O-ND1 2.86Å
356	K	94.6	Very high	96	Very high	89 Å²	89	51.8 Å²	51.8	39%	0.387	26%	0.255	S	S	.	.	H	α-helix	trans	-64.7	-36.3	-176.8	-176.9	178.2	-178.6	-178.1	0	112.8	S352 Y353 L468 D470	S352-K356 WeakPolarHBondContact O-CB 3.3Å; S352-K356 PolarHBondContact O-N 2.85Å; Y353-K356 PolarHBondContact O-N 2.99Å; K356-L468 PolarHBondContact NZ-O 3.18Å; K356-D470 IonicContact NZ-OD2 2.67Å; K356-D470 PolarHBondContact NZ-OD2 2.95Å
357	N	93.4	Very high	96	Very high	71 Å²	71	53 Å²	53	38%	0.38	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	4.8	-176.9	-59.5	-58	0	0	0	113.2	Y353 L355 L359	Y353-N357 VanDerWaalsContact CD2-ND2 3.29Å; Y353-N357 WeakPolarHBondContact CD2-ND2 3.38Å; Y353-N357 VanDerWaalsContact CE2-ND2 3.29Å; Y353-N357 WeakPolarHBondContact CE2-ND2 3.44Å; Y353-N357 WeakPolarHBondContact O-CB 3.47Å; Y353-N357 PolarHBondContact O-N 3.38Å; Y353-N357 VanDerWaalsContact O-N 3.09Å; Y353-N357 PolarHBondContact O-ND2 3.14Å; L355-N357 VanDerWaalsContact C-N 3.35Å; L355-N357 PolarHBondContact O-N 2.97Å; N357-L359 VanDerWaalsContact C-N 3.27Å; N357-L359 HydrophobicContact CB-CD1 3.81Å; N357-L359 HydrophobicContact CB-CG 3.8Å; N357-L359 PolarHBondContact O-N 2.94Å
358	H	94.2	Very high	95.9	Very high	174 Å²	174	53 Å²	53	81%	0.806	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.2	40	-177	-54.8	-49.5	0	0	0	114	L354 L355	L354-H358 WeakPolarHBondContact O-CA 3.42Å; L354-H358 PolarHBondContact O-N 2.89Å; L355-H358 PolarHBondContact O-N 3.16Å; L355-H358 PolarHBondContact O-ND1 2.86Å
359	L	94.1	Very high	95.9	Very high	63 Å²	63	54.3 Å²	54.3	33%	0.33	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-96.7	126.8	-178.1	-61.6	172.8	0	0	0	111.2	Y353 L354 N357 F451	Y353-L359 HydrophobicContact CD1-CD1 4.2Å; Y353-L359 HydrophobicContact CE1-CD1 3.61Å; L354-L359 HydrophobicContact CD2-CB 3.94Å; L354-L359 PolarHBondContact O-N 3.25Å; N357-L359 VanDerWaalsContact C-N 3.27Å; N357-L359 HydrophobicContact CB-CD1 3.81Å; N357-L359 HydrophobicContact CB-CG 3.8Å; N357-L359 PolarHBondContact O-N 2.94Å; L359-F451 HydrophobicContact CB-CZ 4.26Å; L359-F451 HydrophobicContact CD1-CE1 4.33Å; L359-F451 HydrophobicContact CD1-CZ 4.17Å
360	D	93.7	Very high	95.8	Very high	125 Å²	125	54.5 Å²	54.5	67%	0.668	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-76.6	140.7	160.6	-77.6	-53.9	0	0	0	110.3
361	Y	95.7	Very high	95.8	Very high	49 Å²	49	54 Å²	54	19%	0.192	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-75.2	137.4	180	176.3	-104.9	0	0	0	111.7	L271 E272 P363 G424 N449 F451	L271-Y361 HydrophobicContact CD2-CD1 4.37Å; L271-Y361 HydrophobicContact CD2-CD2 3.29Å; L271-Y361 HydrophobicContact CD2-CE1 4.46Å; L271-Y361 HydrophobicContact CD2-CE2 3.38Å; L271-Y361 HydrophobicContact CD2-CG 3.81Å; E272-Y361 HydrophobicContact CG-CD1 3.66Å; E272-Y361 HydrophobicContact CG-CE1 3.72Å; E272-Y361 WeakPolarHBondContact OE1-CE1 3.47Å; Y361-P363 HydrophobicContact CE1-CG 4.14Å; Y361-G424 WeakPolarHBondContact OH-CA 3.44Å; Y361-N449 WeakPolarHBondContact CE2-OD1 3.11Å; Y361-N449 PolarHBondContact OH-ND2 2.94Å; Y361-N449 PolarHBondContact OH-OD1 2.88Å; Y361-F451 HydrophobicContact CD2-CB 3.99Å; Y361-F451 HydrophobicContact CD2-CD1 4.32Å; Y361-F451 AromaticContact CD2-CD2 3.91Å; Y361-F451 HydrophobicContact CD2-CD2 3.91Å; Y361-F451 HydrophobicContact CD2-CE2 4.44Å; Y361-F451 AromaticContact CD2-CG 3.83Å; Y361-F451 HydrophobicContact CD2-CG 3.83Å; Y361-F451 HydrophobicContact CE2-CB 3.49Å; Y361-F451 VanDerWaalsContact CE2-CB 3.49Å; Y361-F451 HydrophobicContact CE2-CD2 4.15Å; Y361-F451 AromaticContact CE2-CG 3.88Å; Y361-F451 HydrophobicContact CE2-CG 3.88Å
362	R	93.8	Very high	95.8	Very high	162 Å²	162	54.1 Å²	54.1	61%	0.611	27%	0.27	S	S	*	.			trans	-133.2	140.2	166.5	57	177.8	177.6	154.9	0.1	110.1	V364 F451	R362-V364 PolarHBondContact O-N 2.89Å; R362-F451 HydrophobicContact CG-CD2 4.31Å; R362-F451 HydrophobicContact CG-CE2 4.17Å; R362-F451 WeakPolarHBondContact O-CD2 3.32Å
363	P	93.4	Very high	95.8	Very high	77 Å²	77	53.5 Å²	53.5	50%	0.5	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-61.1	124.5	172.8	-23.2	33.9	0	0	0	111.3	Y361 C423	Y361-P363 HydrophobicContact CE1-CG 4.14Å; P363-C423 WeakPolarHBondContact CB-SG 3.4Å
364	V	94.6	Very high	95.7	Very high	32 Å²	32	53.6 Å²	53.6	19%	0.194	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-103.6	118.5	178.7	177.3	0	0	0	0	109.5	R362 L366 C423 T450 F451 P454	R362-V364 PolarHBondContact O-N 2.89Å; V364-L366 HydrophobicContact CG1-CD2 3.98Å; V364-L366 HydrophobicContact CG1-CG 4.18Å; V364-C423 VanDerWaalsContact C-SG 3.55Å; V364-C423 PolarHBondContact O-SG 2.88Å; V364-T450 VanDerWaalsContact O-CB 3.23Å; V364-T450 WeakPolarHBondContact O-CB 3.2Å; V364-T450 PolarHBondContact O-OG1 2.96Å; V364-F451 HydrophobicContact CG2-CB 4.13Å; V364-F451 HydrophobicContact CG2-CD2 3.94Å; V364-F451 HydrophobicContact CG2-CG 4.43Å; V364-P454 HydrophobicContact CG1-CG 4.41Å
365	A	96.3	Very high	95.7	Very high	45 Å²	45	54.2 Å²	54.2	37%	0.372	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	127.4	175.8	0	0	0	0	0	110.7	T523	A365-T523 HydrophobicContact CB-CG2 3.96Å; A365-T523 PolarHBondContact O-OG1 3.22Å
366	L	96.1	Very high	95.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.9	177.2	-60.4	177.6	0	0	0	110.4	V364 V422 T450 I453 L489 F520 T521 K522	V364-L366 HydrophobicContact CG1-CD2 3.98Å; V364-L366 HydrophobicContact CG1-CG 4.18Å; L366-V422 HydrophobicContact CB-CG2 4.09Å; L366-V422 PolarHBondContact N-O 3.04Å; L366-V422 WeakPolarHBondContact O-CG2 3.45Å; L366-V422 PolarHBondContact O-N 2.84Å; L366-T450 HydrophobicContact CD1-CG2 4.14Å; L366-T450 HydrophobicContact CG-CG2 4.48Å; L366-I453 HydrophobicContact CD1-CB 3.9Å; L366-I453 HydrophobicContact CD1-CD1 4.17Å; L366-I453 HydrophobicContact CD1-CG1 4.49Å; L366-I453 HydrophobicContact CD1-CG2 4.04Å; L366-L489 HydrophobicContact CD2-CD1 4.24Å; L366-F520 HydrophobicContact CB-CB 4.4Å; L366-F520 HydrophobicContact CB-CD1 4.25Å; L366-F520 HydrophobicContact CD1-CB 4.17Å; L366-F520 HydrophobicContact CD1-CD1 4.25Å; L366-F520 HydrophobicContact CD1-CG 4.25Å; L366-T521 WeakPolarHBondContact CA-O 3.35Å; L366-K522 HydrophobicContact CD2-CG 4.39Å
367	L	97.3	Very high	95.8	Very high	50 Å²	50	48.9 Å²	48.9	26%	0.262	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	123.1	165.9	-61.9	-179.6	0	0	0	108.7	H369 P419 P421 F520 T521 T523	L367-H369 PolarHBondContact O-CD2 3.07Å; L367-H369 PolarHBondContact O-NE2 3.4Å; L367-P419 HydrophobicContact CB-CB 3.9Å; L367-P419 HydrophobicContact CD1-CB 4.42Å; L367-P421 HydrophobicContact CD2-CB 4.34Å; L367-F520 CarbonylContact O-C 3.51Å; L367-F520 WeakPolarHBondContact O-CA 3.46Å; L367-T521 PolarHBondContact N-O 2.62Å; L367-T521 PolarHBondContact O-N 2.93Å; L367-T523 HydrophobicContact CD2-CG2 3.97Å; L367-T523 HydrophobicContact CG-CG2 3.95Å
368	F	97.8	Very high	95.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	113.3	178.6	-170.9	-168.8	0	0	0	109.3	K370 M371 F416 P419 L420 V422 V428 L518 F520	F368-K370 WeakPolarHBondContact CE2-O 3.47Å; F368-M371 HydrophobicContact CE1-SD 4.45Å; F368-M371 HydrophobicContact CE2-CG 3.69Å; F368-M371 HydrophobicContact CZ-CE 4.48Å; F368-M371 HydrophobicContact CZ-CG 3.45Å; F368-M371 VanDerWaalsContact CZ-CG 3.45Å; F368-M371 HydrophobicContact CZ-SD 3.71Å; F368-F416 HydrophobicContact CB-CE2 4.24Å; F368-F416 AromaticContact CD1-CE2 3.66Å; F368-F416 HydrophobicContact CD1-CE2 3.66Å; F368-F416 AromaticContact CD1-CZ 3.7Å; F368-F416 HydrophobicContact CD1-CZ 3.7Å; F368-F416 AromaticContact CD2-CE2 3.91Å; F368-F416 HydrophobicContact CD2-CE2 3.91Å; F368-F416 AromaticContact CE1-CE2 3.97Å; F368-F416 HydrophobicContact CE1-CE2 3.97Å; F368-F416 AromaticContact CE1-CZ 3.83Å; F368-F416 HydrophobicContact CE1-CZ 3.83Å; F368-F416 HydrophobicContact CE2-CE2 4.19Å; F368-F416 AromaticContact CG-CE2 3.64Å; F368-F416 HydrophobicContact CG-CE2 3.64Å; F368-F416 HydrophobicContact CG-CZ 4.17Å; F368-F416 HydrophobicContact CZ-CE2 4.23Å; F368-F416 HydrophobicContact CZ-CZ 4.39Å; F368-F416 WeakPolarHBondContact O-CD2 3.28Å; F368-P419 WeakPolarHBondContact O-CA 3Å; F368-L420 HydrophobicContact CB-CB 4.34Å; F368-L420 WeakPolarHBondContact CB-O 3.47Å; F368-L420 HydrophobicContact CD1-CD2 4.48Å; F368-L420 PolarHBondContact N-O 2.76Å; F368-L420 PolarHBondContact O-N 3.33Å; F368-V422 HydrophobicContact CB-CG1 4.22Å; F368-V422 HydrophobicContact CB-CG2 3.99Å; F368-V422 HydrophobicContact CD1-CG1 4.28Å; F368-V428 HydrophobicContact CE1-CG2 4.2Å; F368-L518 HydrophobicContact CE2-CB 4.09Å; F368-L518 HydrophobicContact CE2-CD2 4.46Å; F368-L518 HydrophobicContact CZ-CB 4.47Å; F368-L518 HydrophobicContact CZ-CD2 4.18Å; F368-F520 HydrophobicContact CB-CD1 3.72Å; F368-F520 HydrophobicContact CB-CE1 3.66Å; F368-F520 AromaticContact CD1-CE1 3.91Å; F368-F520 HydrophobicContact CD1-CE1 3.91Å; F368-F520 HydrophobicContact CD1-CZ 4.43Å; F368-F520 AromaticContact CD2-CD1 3.75Å; F368-F520 HydrophobicContact CD2-CD1 3.75Å; F368-F520 AromaticContact CD2-CE1 3.34Å; F368-F520 HydrophobicContact CD2-CE1 3.34Å; F368-F520 HydrophobicContact CD2-CE2 4.32Å; F368-F520 HydrophobicContact CD2-CG 4.38Å; F368-F520 AromaticContact CD2-CZ 3.67Å; F368-F520 HydrophobicContact CD2-CZ 3.67Å; F368-F520 HydrophobicContact CE1-CE1 4.37Å; F368-F520 HydrophobicContact CE1-CZ 4.45Å; F368-F520 AromaticContact CE2-CE1 3.87Å; F368-F520 HydrophobicContact CE2-CE1 3.87Å; F368-F520 HydrophobicContact CE2-CE2 4.26Å; F368-F520 AromaticContact CE2-CZ 3.69Å; F368-F520 HydrophobicContact CE2-CZ 3.69Å; F368-F520 AromaticContact CG-CD1 3.87Å; F368-F520 HydrophobicContact CG-CD1 3.87Å; F368-F520 AromaticContact CG-CE1 3.37Å; F368-F520 HydrophobicContact CG-CE1 3.37Å; F368-F520 HydrophobicContact CG-CZ 4.07Å; F368-F520 HydrophobicContact CZ-CE1 4.34Å; F368-F520 HydrophobicContact CZ-CZ 4.08Å
369	H	97.1	Very high	95.9	Very high	27 Å²	27	42.9 Å²	42.9	13%	0.125	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-42.8	-168.3	-65.7	-101.7	0	0	0	113.2	L367 F416 P419 Y488 Y519 T521	L367-H369 PolarHBondContact O-CD2 3.07Å; L367-H369 PolarHBondContact O-NE2 3.4Å; H369-F416 WeakPolarHBondContact O-CD2 3.2Å; H369-F416 PolarHBondContact O-N 3.11Å; H369-F416 VanDerWaalsContact O-N 3.12Å; H369-P419 WeakPolarHBondContact ND1-CG 2.9Å; H369-Y488 HydrophobicContact CB-CE1 3.88Å; H369-Y488 AromaticContact CD2-CE1 3.76Å; H369-Y488 AromaticContact CG-CE1 3.64Å; H369-Y519 PolarHBondContact N-O 2.86Å; H369-T521 WeakPolarHBondContact NE2-CG2 3.33Å; H369-T521 PolarHBondContact NE2-OG1 3Å
370	K	97.4	Very high	95.8	Very high	40 Å²	40	42.7 Å²	42.7	17%	0.174	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	165.9	-179.8	61.9	-172.9	179.9	-176.6	0	113.8	F368 F414 E415 Y519	F368-K370 WeakPolarHBondContact CE2-O 3.47Å; K370-F414 CarbonylContact C-O 3.57Å; K370-F414 VanDerWaalsContact CA-O 3.25Å; K370-F414 WeakPolarHBondContact CA-O 3.13Å; K370-E415 HydrophobicContact CB-CB 4.22Å; K370-E415 HydrophobicContact CB-CG 3.51Å; K370-E415 HydrophobicContact CD-CG 3.73Å; K370-E415 HydrophobicContact CG-CG 4.28Å; K370-Y519 HydrophobicContact CG-CD2 3.73Å; K370-Y519 HydrophobicContact CG-CG 3.83Å; K370-Y519 PolarHBondContact O-N 2.93Å
371	M	98.3	Very high	95.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	154.9	163.3	-52.3	178.8	-87.8	0	0	110.6	F368 F388 F414 V428 F430 F446 K517 L518	F368-M371 HydrophobicContact CE1-SD 4.45Å; F368-M371 HydrophobicContact CE2-CG 3.69Å; F368-M371 HydrophobicContact CZ-CE 4.48Å; F368-M371 HydrophobicContact CZ-CG 3.45Å; F368-M371 VanDerWaalsContact CZ-CG 3.45Å; F368-M371 HydrophobicContact CZ-SD 3.71Å; M371-F388 HydrophobicContact CE-CD1 4.04Å; M371-F388 HydrophobicContact CE-CD2 3.44Å; M371-F388 VanDerWaalsContact CE-CD2 3.44Å; M371-F388 HydrophobicContact CE-CE1 3.94Å; M371-F388 HydrophobicContact CE-CE2 3.29Å; M371-F388 HydrophobicContact CE-CG 3.8Å; M371-F388 HydrophobicContact CE-CZ 3.56Å; M371-F414 HydrophobicContact CB-CB 4.17Å; M371-F414 HydrophobicContact CB-CD2 4.44Å; M371-F414 HydrophobicContact CE-CB 4.33Å; M371-F414 PolarHBondContact N-O 3.05Å; M371-F414 PolarHBondContact O-N 2.95Å; M371-V428 HydrophobicContact CE-CG1 3.99Å; M371-V428 HydrophobicContact SD-CG1 3.89Å; M371-F430 HydrophobicContact CE-CE2 3.97Å; M371-F430 HydrophobicContact CE-CZ 3.55Å; M371-F430 HydrophobicContact SD-CE2 3.86Å; M371-F430 HydrophobicContact SD-CZ 3.84Å; M371-F446 HydrophobicContact SD-CZ 4.42Å; M371-K517 CarbonylContact C-O 3.52Å; M371-K517 VanDerWaalsContact CA-O 3.23Å; M371-K517 WeakPolarHBondContact CA-O 3.44Å; M371-L518 HydrophobicContact CB-CD2 4.07Å; M371-L518 HydrophobicContact CG-CD2 3.51Å; M371-L518 HydrophobicContact SD-CD2 3.66Å
372	M	97.8	Very high	95.2	Very high	14 Å²	14	41 Å²	41	7%	0.069	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	133	175.4	-174.4	-164.2	79	0	0	110.8	E374 F411 M412 Y413 V516 K517 Y519	M372-E374 HydrophobicContact CE-CG 3.8Å; M372-F411 HydrophobicContact CE-CD1 3.96Å; M372-F411 HydrophobicContact CE-CE1 4.15Å; M372-F411 HydrophobicContact CG-CD1 4.46Å; M372-F411 HydrophobicContact SD-CD1 3.9Å; M372-F411 HydrophobicContact SD-CE1 4.5Å; M372-M412 CarbonylContact C-O 3.55Å; M372-M412 WeakPolarHBondContact CA-O 3.31Å; M372-Y413 HydrophobicContact CB-CD1 4.09Å; M372-Y413 HydrophobicContact CB-CE1 4.16Å; M372-Y413 HydrophobicContact CG-CD1 3.79Å; M372-Y413 HydrophobicContact CG-CE1 3.51Å; M372-Y413 HydrophobicContact CG-CG 4.48Å; M372-Y413 HydrophobicContact SD-CD1 4.38Å; M372-Y413 HydrophobicContact SD-CE1 3.53Å; M372-Y413 VanDerWaalsContact SD-CE1 3.53Å; M372-V516 CarbonylContact O-C 3.48Å; M372-V516 WeakPolarHBondContact O-CA 3.35Å; M372-K517 HydrophobicContact CB-CB 4.43Å; M372-K517 HydrophobicContact CE-CB 4.47Å; M372-K517 HydrophobicContact CE-CD 3.94Å; M372-K517 HydrophobicContact CE-CG 4.2Å; M372-K517 PolarHBondContact N-O 2.77Å; M372-K517 PolarHBondContact O-N 3.5Å; M372-Y519 HydrophobicContact CB-CE2 4.1Å
373	F	98.1	Very high	95.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.9	166.4	-63.3	-5	0	0	0	110	P377 F411 M412 F414 F430 F444 F514 K515 V516	F373-P377 HydrophobicContact CD2-CG 3.98Å; F373-P377 HydrophobicContact CE2-CG 3.95Å; F373-F411 WeakPolarHBondContact O-CA 2.92Å; F373-M412 HydrophobicContact CB-CB 4.22Å; F373-M412 HydrophobicContact CD2-CB 4.27Å; F373-M412 HydrophobicContact CD2-SD 4.32Å; F373-M412 HydrophobicContact CG-CB 4.46Å; F373-M412 PolarHBondContact N-O 3.05Å; F373-M412 PolarHBondContact O-N 2.99Å; F373-F414 HydrophobicContact CD1-CD2 4.36Å; F373-F414 AromaticContact CD1-CE2 3.76Å; F373-F414 HydrophobicContact CD1-CE2 3.76Å; F373-F414 AromaticContact CD2-CE2 3.78Å; F373-F414 HydrophobicContact CD2-CE2 3.78Å; F373-F414 HydrophobicContact CD2-CZ 4.11Å; F373-F414 HydrophobicContact CE1-CD2 4.23Å; F373-F414 AromaticContact CE1-CE2 3.65Å; F373-F414 HydrophobicContact CE1-CE2 3.65Å; F373-F414 HydrophobicContact CE1-CZ 4.35Å; F373-F414 AromaticContact CE2-CE2 3.7Å; F373-F414 HydrophobicContact CE2-CE2 3.7Å; F373-F414 AromaticContact CE2-CZ 3.73Å; F373-F414 HydrophobicContact CE2-CZ 3.73Å; F373-F414 AromaticContact CG-CE2 3.83Å; F373-F414 HydrophobicContact CG-CE2 3.83Å; F373-F414 AromaticContact CZ-CE2 3.64Å; F373-F414 HydrophobicContact CZ-CE2 3.64Å; F373-F414 AromaticContact CZ-CZ 3.87Å; F373-F414 HydrophobicContact CZ-CZ 3.87Å; F373-F430 HydrophobicContact CE1-CD1 4.39Å; F373-F430 AromaticContact CE1-CE1 3.83Å; F373-F430 HydrophobicContact CE1-CE1 3.83Å; F373-F430 HydrophobicContact CE1-CE2 4.17Å; F373-F430 AromaticContact CE1-CZ 3.7Å; F373-F430 HydrophobicContact CE1-CZ 3.7Å; F373-F430 HydrophobicContact CE2-CE1 4.41Å; F373-F430 AromaticContact CZ-CD1 3.62Å; F373-F430 HydrophobicContact CZ-CD1 3.62Å; F373-F430 HydrophobicContact CZ-CD2 4.46Å; F373-F430 AromaticContact CZ-CE1 3.4Å; F373-F430 HydrophobicContact CZ-CE1 3.4Å; F373-F430 HydrophobicContact CZ-CE2 4.28Å; F373-F430 HydrophobicContact CZ-CG 4.15Å; F373-F430 AromaticContact CZ-CZ 3.76Å; F373-F430 HydrophobicContact CZ-CZ 3.76Å; F373-F444 HydrophobicContact CE1-CE1 4.28Å; F373-F444 AromaticContact CE1-CZ 3.71Å; F373-F444 HydrophobicContact CE1-CZ 3.71Å; F373-F444 HydrophobicContact CE2-CE1 4.38Å; F373-F444 AromaticContact CZ-CE1 3.75Å; F373-F444 HydrophobicContact CZ-CE1 3.75Å; F373-F444 AromaticContact CZ-CZ 3.6Å; F373-F444 HydrophobicContact CZ-CZ 3.6Å; F373-F514 HydrophobicContact CB-CE2 3.88Å; F373-F514 HydrophobicContact CD1-CE2 4.24Å; F373-F514 HydrophobicContact CD1-CZ 4.09Å; F373-F514 AromaticContact CD2-CE2 3.75Å; F373-F514 HydrophobicContact CD2-CE2 3.75Å; F373-F514 HydrophobicContact CD2-CZ 4Å; F373-F514 HydrophobicContact CE1-CZ 4.24Å; F373-F514 HydrophobicContact CE2-CE2 4.31Å; F373-F514 HydrophobicContact CE2-CZ 4.14Å; F373-F514 AromaticContact CG-CE2 3.69Å; F373-F514 HydrophobicContact CG-CE2 3.69Å; F373-F514 AromaticContact CG-CZ 3.96Å; F373-F514 HydrophobicContact CG-CZ 3.96Å; F373-F514 HydrophobicContact CZ-CZ 4.24Å; F373-K515 WeakPolarHBondContact CA-O 3.39Å; F373-V516 HydrophobicContact CD1-CB 4.33Å; F373-V516 HydrophobicContact CD1-CG1 4.03Å; F373-V516 HydrophobicContact CD1-CG2 3.73Å; F373-V516 HydrophobicContact CE1-CB 4.5Å; F373-V516 HydrophobicContact CE1-CG1 3.99Å; F373-V516 HydrophobicContact CE1-CG2 3.76Å
374	E	93.8	Very high	95.2	Very high	39 Å²	39	32.3 Å²	32.3	18%	0.182	21%	0.212	C	C	.	.	S	Bend	trans	-78.7	-22.3	174.9	-72.3	-174.1	-166.8	0	0	114	M372 F411 K515	M372-E374 HydrophobicContact CE-CG 3.8Å; E374-F411 HydrophobicContact CB-CE1 4.37Å; E374-F411 HydrophobicContact CG-CE1 4.34Å; E374-K515 HydrophobicContact CB-CB 4.41Å; E374-K515 HydrophobicContact CG-CB 4.11Å; E374-K515 PolarHBondContact N-O 3.39Å; E374-K515 WeakPolarHBondContact OE1-CD 3.46Å; E374-K515 IonicContact OE1-NZ 2.97Å; E374-K515 PolarHBondContact OE1-NZ 3.23Å; E374-K515 IonicContact OE2-NZ 3.97Å; E374-K515 PolarHBondContact OE2-NZ 2.92Å
375	T	96.3	Very high	95.2	Very high	28 Å²	28	32.5 Å²	32.5	17%	0.172	21%	0.212	C	C	.	.	S	Bend	trans	-143.4	152.8	176.4	68.5	0	0	0	0	111.2	P377 K410 S511 F514	T375-P377 WeakPolarHBondContact O-CD 3.33Å; T375-K410 CarbonylContact C-O 3.51Å; T375-K410 WeakPolarHBondContact CA-O 3.43Å; T375-S511 WeakPolarHBondContact OG1-CB 3.28Å; T375-F514 VanDerWaalsContact O-CD2 3.24Å; T375-F514 WeakPolarHBondContact O-CD2 3.4Å; T375-F514 WeakPolarHBondContact O-CE2 3.15Å
376	I	96.8	Very high	95.2	Very high	31 Å²	31	30.4 Å²	30.4	16%	0.159	20%	0.195	C	C	.	.			trans	-73.6	127.1	-179.2	-58.2	144.8	0	0	0	111.9	K410 M412	I376-K410 PolarHBondContact N-O 3.44Å; I376-M412 HydrophobicContact CG1-CE 4.29Å; I376-M412 HydrophobicContact CG2-CE 3.91Å
377	P	97.1	Very high	95.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	20%	0.2	C	C	.	.			trans	-70	141.7	166.4	-21.2	34	0	0	0	112.9	F373 T375 F379 T383 C384 M443 Y509 F510 F514	F373-P377 HydrophobicContact CD2-CG 3.98Å; F373-P377 HydrophobicContact CE2-CG 3.95Å; T375-P377 WeakPolarHBondContact O-CD 3.33Å; P377-F379 HydrophobicContact CB-CD2 3.85Å; P377-F379 HydrophobicContact CB-CE2 3.92Å; P377-T383 CarbonylContact O-C 3.02Å; P377-C384 HydrophobicContact CB-CB 4.39Å; P377-C384 WeakPolarHBondContact O-CB 3.46Å; P377-C384 PolarHBondContact O-N 2.73Å; P377-C384 VanDerWaalsContact O-N 3.16Å; P377-C384 PolarHBondContact O-SG 3.05Å; P377-M443 HydrophobicContact CB-CE 3.61Å; P377-M443 HydrophobicContact CG-CE 3.7Å; P377-Y509 CarbonylContact C-O 3.52Å; P377-Y509 WeakPolarHBondContact CA-O 3.4Å; P377-F510 HydrophobicContact CB-CD1 3.95Å; P377-F510 HydrophobicContact CB-CE1 3.88Å; P377-F510 HydrophobicContact CG-CD1 4.06Å; P377-F510 HydrophobicContact CG-CE1 4Å; P377-F514 HydrophobicContact CG-CD2 4.42Å; P377-F514 HydrophobicContact CG-CE2 3.69Å; P377-F514 HydrophobicContact CG-CZ 4.02Å
378	M	95.6	Very high	95.3	Very high	79 Å²	79	29.2 Å²	29.2	39%	0.389	19%	0.188	S	C	.	.			trans	-106.9	62.1	-167.7	-58.8	-177	-65.3	0	0	112.3	Y509	M378-Y509 PolarHBondContact N-O 3.1Å
379	F	94.1	Very high	95.3	Very high	40 Å²	40	30.2 Å²	30.2	18%	0.175	19%	0.194	C	C	.	.	S	Bend	trans	-86.7	-24.8	-177	-80.1	-103.8	0	0	0	114	P377 T383 C384 H432 M443 Y509 F510	P377-F379 HydrophobicContact CB-CD2 3.85Å; P377-F379 HydrophobicContact CB-CE2 3.92Å; F379-T383 PolarHBondContact N-O 2.6Å; F379-C384 HydrophobicContact CB-CB 4.12Å; F379-C384 HydrophobicContact CD2-CB 4.34Å; F379-H432 HydrophobicContact CB-CB 4.09Å; F379-H432 HydrophobicContact CD1-CB 4.06Å; F379-H432 HydrophobicContact CG-CB 4.14Å; F379-M443 HydrophobicContact CD1-CG 4.23Å; F379-M443 HydrophobicContact CD2-CE 3.99Å; F379-M443 HydrophobicContact CD2-CG 4.21Å; F379-M443 HydrophobicContact CE1-CB 4.27Å; F379-M443 HydrophobicContact CE1-CG 3.86Å; F379-M443 HydrophobicContact CE2-CB 4.09Å; F379-M443 HydrophobicContact CE2-CE 3.9Å; F379-M443 HydrophobicContact CE2-CG 3.85Å; F379-M443 HydrophobicContact CG-CG 4.41Å; F379-M443 HydrophobicContact CZ-CB 3.74Å; F379-M443 HydrophobicContact CZ-CG 3.67Å; F379-Y509 HydrophobicContact CD1-CD1 4.08Å; F379-Y509 HydrophobicContact CD1-CE1 4.39Å; F379-Y509 HydrophobicContact CD2-CD1 4.32Å; F379-Y509 HydrophobicContact CE1-CD1 4.01Å; F379-Y509 HydrophobicContact CE1-CE1 4.46Å; F379-Y509 HydrophobicContact CE1-CG 4.45Å; F379-Y509 HydrophobicContact CE2-CD1 4.25Å; F379-Y509 HydrophobicContact CE2-CG 4.39Å; F379-Y509 HydrophobicContact CG-CD1 4.22Å; F379-Y509 HydrophobicContact CZ-CD1 4.09Å; F379-Y509 HydrophobicContact CZ-CG 4.16Å; F379-F510 AromaticContact CE2-CE1 3.97Å; F379-F510 HydrophobicContact CE2-CE1 3.97Å; F379-F510 AromaticContact CE2-CE2 3.99Å; F379-F510 HydrophobicContact CE2-CE2 3.99Å; F379-F510 AromaticContact CE2-CZ 3.55Å; F379-F510 HydrophobicContact CE2-CZ 3.55Å; F379-F510 AromaticContact CZ-CE2 3.91Å; F379-F510 HydrophobicContact CZ-CE2 3.91Å; F379-F510 AromaticContact CZ-CZ 3.66Å; F379-F510 HydrophobicContact CZ-CZ 3.66Å
380	S	91.5	Very high	95.4	Very high	58 Å²	58	29 Å²	29	41%	0.406	19%	0.188	S	C	.	.	B	Isolated β-bridge	trans	-153.4	121.5	176.7	-162	0	0	0	0	110.3	G382 T383	S380-G382 VanDerWaalsContact C-N 3.3Å; S380-G382 PolarHBondContact O-N 3.24Å; S380-T383 PolarHBondContact N-O 3.07Å; S380-T383 CarbonylContact O-C 3.51Å; S380-T383 WeakPolarHBondContact O-CG2 3.17Å; S380-T383 PolarHBondContact O-N 3.03Å
381	G	86.9	Confident	95.4	Very high	88 Å²	88	28.1 Å²	28.1	91%	0.907	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	35.5	177	0	0	0	0	0	114.9	T383	G381-T383 VanDerWaalsContact C-N 3.27Å; G381-T383 PolarHBondContact O-N 2.67Å
382	G	89.3	Confident	95.3	Very high	50 Å²	50	30.8 Å²	30.8	52%	0.515	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	8.5	-176.8	0	0	0	0	0	115.2	S380	S380-G382 VanDerWaalsContact C-N 3.3Å; S380-G382 PolarHBondContact O-N 3.24Å
383	T	92.6	Very high	94.9	Very high	46 Å²	46	34.1 Å²	34.1	28%	0.282	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-137.5	-178.7	177.3	-170.6	0	0	0	0	110.7	P377 F379 S380 G381 R407	P377-T383 CarbonylContact O-C 3.02Å; F379-T383 PolarHBondContact N-O 2.6Å; S380-T383 PolarHBondContact N-O 3.07Å; S380-T383 CarbonylContact O-C 3.51Å; S380-T383 WeakPolarHBondContact O-CG2 3.17Å; S380-T383 PolarHBondContact O-N 3.03Å; G381-T383 VanDerWaalsContact C-N 3.27Å; G381-T383 PolarHBondContact O-N 2.67Å; T383-R407 PolarHBondContact OG1-NH1 2.87Å
384	C	94.6	Very high	94.5	Very high	11 Å²	11	41.9 Å²	41.9	7%	0.074	25%	0.251	C	S	.	.			trans	-134.8	159.3	168	60.5	0	0	0	0	110.9	P377 F379 P386 M443	P377-C384 HydrophobicContact CB-CB 4.39Å; P377-C384 WeakPolarHBondContact O-CB 3.46Å; P377-C384 PolarHBondContact O-N 2.73Å; P377-C384 VanDerWaalsContact O-N 3.16Å; P377-C384 PolarHBondContact O-SG 3.05Å; F379-C384 HydrophobicContact CB-CB 4.12Å; F379-C384 HydrophobicContact CD2-CB 4.34Å; C384-P386 WeakPolarHBondContact O-CD 3.33Å; C384-M443 HydrophobicContact CB-CE 4.15Å
385	N	94.8	Very high	94.6	Very high	37 Å²	37	44.6 Å²	44.6	20%	0.198	27%	0.27	C	S	.	.			trans	-109.6	90.8	163	178.5	2.9	0	0	0	107	S402 G403 H432 K433 N435	N385-S402 VanDerWaalsContact CG-OG 3.31Å; N385-S402 PolarHBondContact ND2-OG 2.99Å; N385-S402 PolarHBondContact OD1-OG 2.97Å; N385-G403 PolarHBondContact OD1-N 3.29Å; N385-H432 PolarHBondContact N-CE1 2.7Å; N385-H432 PolarHBondContact N-ND1 2.81Å; N385-H432 VanDerWaalsContact N-ND1 3.15Å; N385-H432 WeakPolarHBondContact O-CA 3.42Å; N385-H432 PolarHBondContact O-ND1 2.62Å; N385-K433 WeakPolarHBondContact CB-O 3.41Å; N385-K433 PolarHBondContact ND2-O 3.25Å; N385-K433 PolarHBondContact O-N 3.32Å; N385-N435 PolarHBondContact ND2-OD1 2.74Å
386	P	96.5	Very high	94.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	146.4	-173.2	30.9	-35.2	0	0	0	112.5	C384 G403 M412 F414 F430 F431 M443	C384-P386 WeakPolarHBondContact O-CD 3.33Å; P386-G403 PolarHBondContact O-N 3.15Å; P386-M412 HydrophobicContact CG-SD 4.43Å; P386-F414 HydrophobicContact CB-CE1 3.94Å; P386-F414 HydrophobicContact CB-CZ 4Å; P386-F414 HydrophobicContact CG-CE1 3.59Å; P386-F414 HydrophobicContact CG-CZ 3.64Å; P386-F430 HydrophobicContact CB-CD1 4.48Å; P386-F431 CarbonylContact C-O 3.6Å; P386-F431 WeakPolarHBondContact CA-O 3.24Å; P386-M443 HydrophobicContact CB-SD 4.26Å
387	Q	96.9	Very high	94.7	Very high	22 Å²	22	51 Å²	51	10%	0.103	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	144.5	163.6	-175.7	-179.2	34	0	0	107.5	S400 F430 F431 K440	Q387-S400 WeakPolarHBondContact CG-O 3.48Å; Q387-S400 WeakPolarHBondContact CG-OG 3.25Å; Q387-S400 PolarHBondContact NE2-O 3.12Å; Q387-F430 CarbonylContact O-C 3.43Å; Q387-F430 WeakPolarHBondContact O-CA 3.25Å; Q387-F431 PolarHBondContact N-O 2.96Å; Q387-F431 PolarHBondContact O-N 3Å; Q387-K440 VanDerWaalsContact OE1-CE 3.3Å
388	F	98.3	Very high	94.8	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.018	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	159.5	176.7	72.6	-88.1	0	0	0	113.8	M371 V390 Y398 S400 F414 F416 V428 E429 F430	M371-F388 HydrophobicContact CE-CD1 4.04Å; M371-F388 HydrophobicContact CE-CD2 3.44Å; M371-F388 VanDerWaalsContact CE-CD2 3.44Å; M371-F388 HydrophobicContact CE-CE1 3.94Å; M371-F388 HydrophobicContact CE-CE2 3.29Å; M371-F388 HydrophobicContact CE-CG 3.8Å; M371-F388 HydrophobicContact CE-CZ 3.56Å; F388-V390 HydrophobicContact CD2-CG2 3.89Å; F388-V390 HydrophobicContact CE2-CG2 3.79Å; F388-Y398 HydrophobicContact CD2-CD1 4.28Å; F388-Y398 HydrophobicContact CD2-CE1 4.49Å; F388-Y398 HydrophobicContact CE1-CE1 4.29Å; F388-Y398 AromaticContact CE2-CD1 3.56Å; F388-Y398 HydrophobicContact CE2-CD1 3.56Å; F388-Y398 AromaticContact CE2-CE1 3.6Å; F388-Y398 HydrophobicContact CE2-CE1 3.6Å; F388-Y398 AromaticContact CZ-CD1 3.97Å; F388-Y398 HydrophobicContact CZ-CD1 3.97Å; F388-Y398 AromaticContact CZ-CE1 3.49Å; F388-Y398 HydrophobicContact CZ-CE1 3.49Å; F388-Y398 VanDerWaalsContact CZ-CE1 3.49Å; F388-S400 VanDerWaalsContact CD1-CB 3.46Å; F388-S400 WeakPolarHBondContact CD1-OG 3.36Å; F388-S400 VanDerWaalsContact CE1-CB 3.41Å; F388-S400 PolarHBondContact N-OG 2.98Å; F388-S400 PolarHBondContact O-N 2.96Å; F388-S400 PolarHBondContact O-OG 3.14Å; F388-F414 HydrophobicContact CD1-CB 4.42Å; F388-F414 AromaticContact CD1-CD1 3.9Å; F388-F414 HydrophobicContact CD1-CD1 3.9Å; F388-F414 HydrophobicContact CD1-CG 4.42Å; F388-F414 HydrophobicContact CE1-CB 3.76Å; F388-F414 AromaticContact CE1-CD1 3.88Å; F388-F414 HydrophobicContact CE1-CD1 3.88Å; F388-F414 HydrophobicContact CE1-CG 4.19Å; F388-F414 HydrophobicContact CZ-CB 4.32Å; F388-F416 AromaticContact CE2-CE1 3.63Å; F388-F416 HydrophobicContact CE2-CE1 3.63Å; F388-F416 AromaticContact CE2-CZ 3.81Å; F388-F416 HydrophobicContact CE2-CZ 3.81Å; F388-F416 HydrophobicContact CZ-CD1 4.46Å; F388-F416 AromaticContact CZ-CE1 3.88Å; F388-F416 HydrophobicContact CZ-CE1 3.88Å; F388-F416 HydrophobicContact CZ-CZ 4.12Å; F388-V428 HydrophobicContact CD2-CG1 4.32Å; F388-E429 CarbonylContact C-O 3.55Å; F388-E429 VanDerWaalsContact CA-O 3.25Å; F388-E429 WeakPolarHBondContact CA-O 3.36Å; F388-F430 HydrophobicContact CB-CD1 3.65Å; F388-F430 HydrophobicContact CB-CD2 4.13Å; F388-F430 HydrophobicContact CB-CE1 3.62Å; F388-F430 HydrophobicContact CB-CE2 4.1Å; F388-F430 HydrophobicContact CB-CG 3.92Å; F388-F430 HydrophobicContact CB-CZ 3.86Å; F388-F430 AromaticContact CD1-CE1 3.97Å; F388-F430 HydrophobicContact CD1-CE1 3.97Å; F388-F430 HydrophobicContact CD1-CZ 4.25Å; F388-F430 HydrophobicContact CG-CE1 4.05Å; F388-F430 HydrophobicContact CG-CZ 4.1Å
389	V	98.4	Very high	94.9	Very high	21 Å²	21	52.6 Å²	52.6	13%	0.127	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.7	175.5	-179.1	0	0	0	0	107.8	K396 Y398 V428 E429 F431	V389-K396 HydrophobicContact CG1-CD 3.84Å; V389-K396 HydrophobicContact CG1-CG 3.61Å; V389-Y398 WeakPolarHBondContact CA-O 3.29Å; V389-V428 WeakPolarHBondContact O-CA 3.44Å; V389-E429 PolarHBondContact N-O 2.86Å; V389-E429 PolarHBondContact O-N 2.98Å; V389-F431 HydrophobicContact CB-CE2 4.47Å; V389-F431 HydrophobicContact CG2-CE2 3.95Å
390	V	98.6	Very high	95	Very high	0 Å²	0	51 Å²	51	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	128.6	171.1	-170.7	0	0	0	0	108.3	F388 I397 Y398 F416 L420 K427 V428	F388-V390 HydrophobicContact CD2-CG2 3.89Å; F388-V390 HydrophobicContact CE2-CG2 3.79Å; V390-I397 HydrophobicContact CB-CG1 4.14Å; V390-I397 HydrophobicContact CG1-CD1 3.95Å; V390-I397 HydrophobicContact CG1-CG1 3.94Å; V390-I397 WeakPolarHBondContact O-CG1 3.25Å; V390-I397 PolarHBondContact O-N 3.15Å; V390-Y398 HydrophobicContact CG2-CD1 4.43Å; V390-Y398 PolarHBondContact N-O 3.43Å; V390-Y398 PolarHBondContact O-N 3.12Å; V390-Y398 VanDerWaalsContact O-N 3.14Å; V390-F416 HydrophobicContact CG2-CE1 4.1Å; V390-F416 HydrophobicContact CG2-CZ 4.04Å; V390-L420 HydrophobicContact CB-CD2 4.07Å; V390-L420 HydrophobicContact CG1-CD2 4.02Å; V390-L420 HydrophobicContact CG2-CD2 4.11Å; V390-K427 WeakPolarHBondContact CA-O 3.32Å; V390-V428 HydrophobicContact CG1-CG2 4.35Å; V390-V428 HydrophobicContact CG2-CG1 4.46Å; V390-V428 HydrophobicContact CG2-CG2 4.35Å
391	C	98.4	Very high	95.2	Very high	23 Å²	23	55.1 Å²	55.1	16%	0.155	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	144.3	171	-57.4	0	0	0	0	110.2	V395 I426 K427	C391-V395 CarbonylContact C-O 3.6Å; C391-V395 WeakPolarHBondContact CA-O 3.3Å; C391-V395 WeakPolarHBondContact CB-O 3.12Å; C391-I426 WeakPolarHBondContact O-CA 3.32Å; C391-K427 HydrophobicContact CB-CB 4.35Å; C391-K427 PolarHBondContact N-O 2.88Å; C391-K427 PolarHBondContact O-N 3.12Å
392	Q	95.8	Very high	95.4	Very high	55 Å²	55	53.2 Å²	53.2	26%	0.257	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.5	165.2	-176.3	173.2	-49.1	0	0	106.8	K394 V395 I397 C423 I426	Q392-K394 PolarHBondContact O-N 3.41Å; Q392-V395 PolarHBondContact N-O 2.87Å; Q392-V395 PolarHBondContact O-N 2.86Å; Q392-I397 HydrophobicContact CB-CD1 4.11Å; Q392-I397 HydrophobicContact CB-CG2 4.22Å; Q392-C423 WeakPolarHBondContact CG-O 3.32Å; Q392-C423 PolarHBondContact NE2-O 2.73Å; Q392-C423 PolarHBondContact OE1-O 2.67Å; Q392-I426 HydrophobicContact CB-CG2 4.19Å; Q392-I426 HydrophobicContact CG-CG2 4.15Å
393	L	89.8	Confident	95.6	Very high	84 Å²	84	51.8 Å²	51.8	44%	0.44	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	-120.6	-165.3	-50.7	176.9	0	0	0	110.9	Q270 D425	Q270-L393 HydrophobicContact CG-CD2 4.26Å; L393-D425 PolarHBondContact N-O 2.77Å
394	K	87.9	Confident	95.7	Very high	164 Å²	164	51.5 Å²	51.5	71%	0.713	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-2.7	175	-66.1	-172.7	172.6	-171.2	0	114	E264 Q392	E264-K394 WeakPolarHBondContact OE1-CE 3.48Å; E264-K394 IonicContact OE1-NZ 2.68Å; E264-K394 PolarHBondContact OE1-NZ 3.18Å; Q392-K394 PolarHBondContact O-N 3.41Å
395	V	96.3	Very high	95.7	Very high	96 Å²	96	54.9 Å²	54.9	58%	0.582	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.5	127.2	-174.3	-177.4	0	0	0	0	110.7	C391 Q392 I397	C391-V395 CarbonylContact C-O 3.6Å; C391-V395 WeakPolarHBondContact CA-O 3.3Å; C391-V395 WeakPolarHBondContact CB-O 3.12Å; Q392-V395 PolarHBondContact N-O 2.87Å; Q392-V395 PolarHBondContact O-N 2.86Å; V395-I397 HydrophobicContact CG1-CG2 4.22Å; V395-I397 PolarHBondContact O-N 3.04Å
396	K	97.8	Very high	95.6	Very high	135 Å²	135	58.3 Å²	58.3	59%	0.587	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	100.1	172.7	-178	-171.8	70.1	-179.1	0	110.3	V389	V389-K396 HydrophobicContact CG1-CD 3.84Å; V389-K396 HydrophobicContact CG1-CG 3.61Å
397	I	98.1	Very high	95.5	Very high	59 Å²	59	64 Å²	64	30%	0.303	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	-23.1	-178.7	60.8	168.4	0	0	0	113.5	V390 Q392 V395 L420 V422	V390-I397 HydrophobicContact CB-CG1 4.14Å; V390-I397 HydrophobicContact CG1-CD1 3.95Å; V390-I397 HydrophobicContact CG1-CG1 3.94Å; V390-I397 WeakPolarHBondContact O-CG1 3.25Å; V390-I397 PolarHBondContact O-N 3.15Å; Q392-I397 HydrophobicContact CB-CD1 4.11Å; Q392-I397 HydrophobicContact CB-CG2 4.22Å; V395-I397 HydrophobicContact CG1-CG2 4.22Å; V395-I397 PolarHBondContact O-N 3.04Å; I397-L420 HydrophobicContact CD1-CD1 4.28Å; I397-L420 HydrophobicContact CD1-CD2 3.89Å; I397-L420 HydrophobicContact CD1-CG 4.14Å; I397-L420 HydrophobicContact CG1-CD1 4.49Å; I397-L420 HydrophobicContact CG1-CD2 4.22Å; I397-V422 HydrophobicContact CD1-CG1 3.9Å
398	Y	98.5	Very high	95.2	Very high	55 Å²	55	66.6 Å²	66.6	22%	0.216	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	151.6	174.8	-172.9	-99.2	0	0	0	113	F388 V389 V390 F416	F388-Y398 HydrophobicContact CD2-CD1 4.28Å; F388-Y398 HydrophobicContact CD2-CE1 4.49Å; F388-Y398 HydrophobicContact CE1-CE1 4.29Å; F388-Y398 AromaticContact CE2-CD1 3.56Å; F388-Y398 HydrophobicContact CE2-CD1 3.56Å; F388-Y398 AromaticContact CE2-CE1 3.6Å; F388-Y398 HydrophobicContact CE2-CE1 3.6Å; F388-Y398 AromaticContact CZ-CD1 3.97Å; F388-Y398 HydrophobicContact CZ-CD1 3.97Å; F388-Y398 AromaticContact CZ-CE1 3.49Å; F388-Y398 HydrophobicContact CZ-CE1 3.49Å; F388-Y398 VanDerWaalsContact CZ-CE1 3.49Å; V389-Y398 WeakPolarHBondContact CA-O 3.29Å; V390-Y398 HydrophobicContact CG2-CD1 4.43Å; V390-Y398 PolarHBondContact N-O 3.43Å; V390-Y398 PolarHBondContact O-N 3.12Å; V390-Y398 VanDerWaalsContact O-N 3.14Å; Y398-F416 AromaticContact CD1-CD1 3.83Å; Y398-F416 HydrophobicContact CD1-CD1 3.83Å; Y398-F416 AromaticContact CD1-CE1 3.48Å; Y398-F416 HydrophobicContact CD1-CE1 3.48Å; Y398-F416 VanDerWaalsContact CD1-CE1 3.48Å; Y398-F416 AromaticContact CD2-CD1 3.97Å; Y398-F416 HydrophobicContact CD2-CD1 3.97Å; Y398-F416 HydrophobicContact CD2-CE1 4.27Å; Y398-F416 AromaticContact CE1-CD1 3.7Å; Y398-F416 HydrophobicContact CE1-CD1 3.7Å; Y398-F416 AromaticContact CE1-CE1 3.7Å; Y398-F416 HydrophobicContact CE1-CE1 3.7Å; Y398-F416 AromaticContact CE2-CD1 3.88Å; Y398-F416 HydrophobicContact CE2-CD1 3.88Å; Y398-F416 HydrophobicContact CE2-CE1 4.49Å; Y398-F416 AromaticContact CG-CD1 3.94Å; Y398-F416 HydrophobicContact CG-CD1 3.94Å; Y398-F416 AromaticContact CG-CE1 3.76Å; Y398-F416 HydrophobicContact CG-CE1 3.76Å; Y398-F416 AromaticContact CZ-CD1 3.71Å
399	S	97.9	Very high	94.8	Very high	56 Å²	56	71.7 Å²	71.7	39%	0.392	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	117.8	173.2	176	0	0	0	0	108.7
400	S	97.4	Very high	94.6	Very high	7 Å²	7	76.1 Å²	76.1	5%	0.049	39%	0.385	C	S	.	.			trans	-73.4	163.8	-176.3	81.4	0	0	0	0	112.9	Q387 F388	Q387-S400 WeakPolarHBondContact CG-O 3.48Å; Q387-S400 WeakPolarHBondContact CG-OG 3.25Å; Q387-S400 PolarHBondContact NE2-O 3.12Å; F388-S400 VanDerWaalsContact CD1-CB 3.46Å; F388-S400 WeakPolarHBondContact CD1-OG 3.36Å; F388-S400 VanDerWaalsContact CE1-CB 3.41Å; F388-S400 PolarHBondContact N-OG 2.98Å; F388-S400 PolarHBondContact O-N 2.96Å; F388-S400 PolarHBondContact O-OG 3.14Å
401	N	93.9	Very high	94.4	Very high	145 Å²	145	79.9 Å²	79.9	78%	0.775	40%	0.401	S	S	*	.			trans	-68.9	175	156.3	-76.1	-38.8	0	0	0	111
402	S	92.9	Very high	94.4	Very high	47 Å²	47	78.9 Å²	78.9	33%	0.329	39%	0.394	S	S	.	.	S	Bend	trans	-85.6	133.7	177.1	-151	0	0	0	0	110.5	N385	N385-S402 VanDerWaalsContact CG-OG 3.31Å; N385-S402 PolarHBondContact ND2-OG 2.99Å; N385-S402 PolarHBondContact OD1-OG 2.97Å
403	G	92.8	Very high	94.5	Very high	21 Å²	21	77.5 Å²	77.5	22%	0.216	39%	0.387	C	S	.	.	S	Bend	trans	100.7	159.7	-175.1	0	0	0	0	0	113	N385 P386	N385-G403 PolarHBondContact OD1-N 3.29Å; P386-G403 PolarHBondContact O-N 3.15Å
404	P	94.8	Very high	94.9	Very high	39 Å²	39	73.6 Å²	73.6	25%	0.253	37%	0.367	S	S	.	.			trans	-70	160.1	165.7	33.4	-35.4	0	0	0	111	R407 M412 Y413 F414	P404-R407 HydrophobicContact CG-CB 4.32Å; P404-M412 HydrophobicContact CB-CB 4.05Å; P404-M412 HydrophobicContact CB-CG 4.38Å; P404-M412 HydrophobicContact CG-CB 4.47Å; P404-M412 HydrophobicContact CG-CG 4.27Å; P404-Y413 CarbonylContact C-O 3.5Å; P404-Y413 VanDerWaalsContact CA-O 3.31Å; P404-Y413 WeakPolarHBondContact CA-O 3.31Å; P404-Y413 WeakPolarHBondContact CB-O 3.28Å; P404-F414 HydrophobicContact CB-CD1 4.42Å; P404-F414 HydrophobicContact CB-CE1 4Å; P404-F414 HydrophobicContact CB-CZ 4.14Å
405	T	94.2	Very high	95.3	Very high	82 Å²	82	68.7 Å²	68.7	50%	0.503	35%	0.346	S	S	.	.	S	Bend	trans	-69.9	-37.6	171.6	52.5	0	0	0	0	111.5	Y413 E415	T405-Y413 PolarHBondContact N-O 2.7Å; T405-Y413 PolarHBondContact OG1-O 2.84Å; T405-E415 HydrophobicContact CG2-CB 4.14Å; T405-E415 WeakPolarHBondContact CG2-O 3.45Å; T405-E415 PolarHBondContact OG1-N 3.39Å; T405-E415 VanDerWaalsContact OG1-N 3.13Å; T405-E415 PolarHBondContact OG1-OE2 3Å
406	R	93.6	Very high	95.4	Very high	109 Å²	109	64.9 Å²	64.9	41%	0.411	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	148.1	179.2	-170	177	77.1	165.5	16.3	110	E408 Y413	R406-E408 VanDerWaalsContact CD-OE1 3.31Å; R406-E408 WeakPolarHBondContact CD-OE1 3.29Å; R406-E408 HydrophobicContact CG-CG 4.23Å; R406-E408 IonicContact CZ-OE1 3.27Å; R406-E408 IonicContact CZ-OE2 3.62Å; R406-E408 VanDerWaalsContact CZ-OE2 3.22Å; R406-E408 VanDerWaalsContact NE-CD 3.28Å; R406-E408 IonicContact NE-OE1 2.72Å; R406-E408 PolarHBondContact NE-OE1 2.93Å; R406-E408 IonicContact NE-OE2 3.03Å; R406-E408 PolarHBondContact NE-OE2 2.78Å; R406-E408 IonicContact NH1-OE1 3.01Å; R406-E408 PolarHBondContact NH1-OE1 2.53Å; R406-E408 VanDerWaalsContact NH2-CD 3.34Å; R406-E408 IonicContact NH2-OE1 3.22Å; R406-E408 PolarHBondContact NH2-OE1 2.92Å; R406-E408 IonicContact NH2-OE2 3.32Å; R406-E408 PolarHBondContact NH2-OE2 3.31Å; R406-Y413 HydrophobicContact CB-CD2 4.03Å; R406-Y413 HydrophobicContact CB-CG 4.39Å; R406-Y413 HydrophobicContact CG-CD2 4.3Å; R406-Y413 PolarHBondContact O-N 2.96Å
407	R	92.9	Very high	95.3	Very high	120 Å²	120	63.9 Å²	63.9	45%	0.453	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	129.8	174.6	177.6	179.7	173.1	166.7	-5.3	109.8	T383 P404 F411 M412	T383-R407 PolarHBondContact OG1-NH1 2.87Å; P404-R407 HydrophobicContact CG-CB 4.32Å; R407-F411 WeakPolarHBondContact CA-O 3.48Å; R407-F411 WeakPolarHBondContact CG-O 3.34Å; R407-M412 HydrophobicContact CG-CG 4.33Å
408	E	92.1	Very high	95.2	Very high	76 Å²	76	68.9 Å²	68.9	36%	0.355	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	103.1	-174.3	-68.4	171.4	158.1	0	0	108.1	R406 K410 F411 Y413	R406-E408 VanDerWaalsContact CD-OE1 3.31Å; R406-E408 WeakPolarHBondContact CD-OE1 3.29Å; R406-E408 HydrophobicContact CG-CG 4.23Å; R406-E408 IonicContact CZ-OE1 3.27Å; R406-E408 IonicContact CZ-OE2 3.62Å; R406-E408 VanDerWaalsContact CZ-OE2 3.22Å; R406-E408 VanDerWaalsContact NE-CD 3.28Å; R406-E408 IonicContact NE-OE1 2.72Å; R406-E408 PolarHBondContact NE-OE1 2.93Å; R406-E408 IonicContact NE-OE2 3.03Å; R406-E408 PolarHBondContact NE-OE2 2.78Å; R406-E408 IonicContact NH1-OE1 3.01Å; R406-E408 PolarHBondContact NH1-OE1 2.53Å; R406-E408 VanDerWaalsContact NH2-CD 3.34Å; R406-E408 IonicContact NH2-OE1 3.22Å; R406-E408 PolarHBondContact NH2-OE1 2.92Å; R406-E408 IonicContact NH2-OE2 3.32Å; R406-E408 PolarHBondContact NH2-OE2 3.31Å; E408-K410 PolarHBondContact O-N 3.49Å; E408-F411 PolarHBondContact N-O 3.26Å; E408-F411 WeakPolarHBondContact O-CB 3.16Å; E408-F411 WeakPolarHBondContact O-CD2 3.14Å; E408-F411 PolarHBondContact O-N 3.39Å; E408-Y413 HydrophobicContact CB-CE2 4.31Å; E408-Y413 HydrophobicContact CG-CE2 4.3Å; E408-Y413 WeakPolarHBondContact OE2-CE2 3.17Å; E408-Y413 PolarHBondContact OE2-OH 2.92Å
409	D	89.6	Confident	95.1	Very high	112 Å²	112	68.9 Å²	68.9	60%	0.599	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.5	-101	-168.3	179.7	38.3	0	0	0	112.5
410	K	92.8	Very high	95.1	Very high	113 Å²	113	67.1 Å²	67.1	49%	0.491	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-15	-178	-67.7	157.2	-166	115.2	0	113.7	T375 I376 E408	T375-K410 CarbonylContact C-O 3.51Å; T375-K410 WeakPolarHBondContact CA-O 3.43Å; I376-K410 PolarHBondContact N-O 3.44Å; E408-K410 PolarHBondContact O-N 3.49Å
411	F	95.6	Very high	95.1	Very high	79 Å²	79	71 Å²	71	35%	0.346	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.7	-177.7	-58.9	-80.3	0	0	0	111.8	M372 F373 E374 R407 E408 Y413	M372-F411 HydrophobicContact CE-CD1 3.96Å; M372-F411 HydrophobicContact CE-CE1 4.15Å; M372-F411 HydrophobicContact CG-CD1 4.46Å; M372-F411 HydrophobicContact SD-CD1 3.9Å; M372-F411 HydrophobicContact SD-CE1 4.5Å; F373-F411 WeakPolarHBondContact O-CA 2.92Å; E374-F411 HydrophobicContact CB-CE1 4.37Å; E374-F411 HydrophobicContact CG-CE1 4.34Å; R407-F411 WeakPolarHBondContact CA-O 3.48Å; R407-F411 WeakPolarHBondContact CG-O 3.34Å; E408-F411 PolarHBondContact N-O 3.26Å; E408-F411 WeakPolarHBondContact O-CB 3.16Å; E408-F411 WeakPolarHBondContact O-CD2 3.14Å; E408-F411 PolarHBondContact O-N 3.39Å; F411-Y413 HydrophobicContact CB-CE2 3.77Å
412	M	97.4	Very high	95.3	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.01	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	126.4	170.9	-71.8	-178.4	164	0	0	109.6	M372 F373 I376 P386 P404 R407 F414	M372-M412 CarbonylContact C-O 3.55Å; M372-M412 WeakPolarHBondContact CA-O 3.31Å; F373-M412 HydrophobicContact CB-CB 4.22Å; F373-M412 HydrophobicContact CD2-CB 4.27Å; F373-M412 HydrophobicContact CD2-SD 4.32Å; F373-M412 HydrophobicContact CG-CB 4.46Å; F373-M412 PolarHBondContact N-O 3.05Å; F373-M412 PolarHBondContact O-N 2.99Å; I376-M412 HydrophobicContact CG1-CE 4.29Å; I376-M412 HydrophobicContact CG2-CE 3.91Å; P386-M412 HydrophobicContact CG-SD 4.43Å; P404-M412 HydrophobicContact CB-CB 4.05Å; P404-M412 HydrophobicContact CB-CG 4.38Å; P404-M412 HydrophobicContact CG-CB 4.47Å; P404-M412 HydrophobicContact CG-CG 4.27Å; R407-M412 HydrophobicContact CG-CG 4.33Å; M412-F414 HydrophobicContact CB-CE2 3.91Å; M412-F414 HydrophobicContact CB-CZ 4.15Å
413	Y	97.6	Very high	95.5	Very high	27 Å²	27	63.7 Å²	63.7	11%	0.106	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	147.8	-179.9	-59.3	-92	0	0	0	111.1	M372 P404 T405 R406 E408 F411	M372-Y413 HydrophobicContact CB-CD1 4.09Å; M372-Y413 HydrophobicContact CB-CE1 4.16Å; M372-Y413 HydrophobicContact CG-CD1 3.79Å; M372-Y413 HydrophobicContact CG-CE1 3.51Å; M372-Y413 HydrophobicContact CG-CG 4.48Å; M372-Y413 HydrophobicContact SD-CD1 4.38Å; M372-Y413 HydrophobicContact SD-CE1 3.53Å; M372-Y413 VanDerWaalsContact SD-CE1 3.53Å; P404-Y413 CarbonylContact C-O 3.5Å; P404-Y413 VanDerWaalsContact CA-O 3.31Å; P404-Y413 WeakPolarHBondContact CA-O 3.31Å; P404-Y413 WeakPolarHBondContact CB-O 3.28Å; T405-Y413 PolarHBondContact N-O 2.7Å; T405-Y413 PolarHBondContact OG1-O 2.84Å; R406-Y413 HydrophobicContact CB-CD2 4.03Å; R406-Y413 HydrophobicContact CB-CG 4.39Å; R406-Y413 HydrophobicContact CG-CD2 4.3Å; R406-Y413 PolarHBondContact O-N 2.96Å; E408-Y413 HydrophobicContact CB-CE2 4.31Å; E408-Y413 HydrophobicContact CG-CE2 4.3Å; E408-Y413 WeakPolarHBondContact OE2-CE2 3.17Å; E408-Y413 PolarHBondContact OE2-OH 2.92Å; F411-Y413 HydrophobicContact CB-CE2 3.77Å
414	F	98.1	Very high	95.7	Very high	2 Å²	2	63 Å²	63	1%	0.009	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	78.6	-178.5	-59.9	-85.3	0	0	0	108.3	K370 M371 F373 P386 F388 P404 M412 F430	K370-F414 CarbonylContact C-O 3.57Å; K370-F414 VanDerWaalsContact CA-O 3.25Å; K370-F414 WeakPolarHBondContact CA-O 3.13Å; M371-F414 HydrophobicContact CB-CB 4.17Å; M371-F414 HydrophobicContact CB-CD2 4.44Å; M371-F414 HydrophobicContact CE-CB 4.33Å; M371-F414 PolarHBondContact N-O 3.05Å; M371-F414 PolarHBondContact O-N 2.95Å; F373-F414 HydrophobicContact CD1-CD2 4.36Å; F373-F414 AromaticContact CD1-CE2 3.76Å; F373-F414 HydrophobicContact CD1-CE2 3.76Å; F373-F414 AromaticContact CD2-CE2 3.78Å; F373-F414 HydrophobicContact CD2-CE2 3.78Å; F373-F414 HydrophobicContact CD2-CZ 4.11Å; F373-F414 HydrophobicContact CE1-CD2 4.23Å; F373-F414 AromaticContact CE1-CE2 3.65Å; F373-F414 HydrophobicContact CE1-CE2 3.65Å; F373-F414 HydrophobicContact CE1-CZ 4.35Å; F373-F414 AromaticContact CE2-CE2 3.7Å; F373-F414 HydrophobicContact CE2-CE2 3.7Å; F373-F414 AromaticContact CE2-CZ 3.73Å; F373-F414 HydrophobicContact CE2-CZ 3.73Å; F373-F414 AromaticContact CG-CE2 3.83Å; F373-F414 HydrophobicContact CG-CE2 3.83Å; F373-F414 AromaticContact CZ-CE2 3.64Å; F373-F414 HydrophobicContact CZ-CE2 3.64Å; F373-F414 AromaticContact CZ-CZ 3.87Å; F373-F414 HydrophobicContact CZ-CZ 3.87Å; P386-F414 HydrophobicContact CB-CE1 3.94Å; P386-F414 HydrophobicContact CB-CZ 4Å; P386-F414 HydrophobicContact CG-CE1 3.59Å; P386-F414 HydrophobicContact CG-CZ 3.64Å; F388-F414 HydrophobicContact CD1-CB 4.42Å; F388-F414 AromaticContact CD1-CD1 3.9Å; F388-F414 HydrophobicContact CD1-CD1 3.9Å; F388-F414 HydrophobicContact CD1-CG 4.42Å; F388-F414 HydrophobicContact CE1-CB 3.76Å; F388-F414 AromaticContact CE1-CD1 3.88Å; F388-F414 HydrophobicContact CE1-CD1 3.88Å; F388-F414 HydrophobicContact CE1-CG 4.19Å; F388-F414 HydrophobicContact CZ-CB 4.32Å; P404-F414 HydrophobicContact CB-CD1 4.42Å; P404-F414 HydrophobicContact CB-CE1 4Å; P404-F414 HydrophobicContact CB-CZ 4.14Å; M412-F414 HydrophobicContact CB-CE2 3.91Å; M412-F414 HydrophobicContact CB-CZ 4.15Å; F414-F430 HydrophobicContact CD1-CE1 4.11Å; F414-F430 HydrophobicContact CD2-CE1 4.28Å; F414-F430 HydrophobicContact CD2-CZ 4.41Å; F414-F430 AromaticContact CE1-CE1 3.92Å; F414-F430 HydrophobicContact CE1-CE1 3.92Å; F414-F430 HydrophobicContact CE2-CE1 4.1Å; F414-F430 HydrophobicContact CG-CE1 4.28Å; F414-F430 HydrophobicContact CG-CZ 4.5Å; F414-F430 AromaticContact CZ-CE1 3.91Å; F414-F430 HydrophobicContact CZ-CE1 3.91Å
415	E	97.5	Very high	95.9	Very high	60 Å²	60	61.6 Å²	61.6	28%	0.28	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	140.4	-179.9	-71	144.6	148.4	0	0	111.1	K370 T405	K370-E415 HydrophobicContact CB-CB 4.22Å; K370-E415 HydrophobicContact CB-CG 3.51Å; K370-E415 HydrophobicContact CD-CG 3.73Å; K370-E415 HydrophobicContact CG-CG 4.28Å; T405-E415 HydrophobicContact CG2-CB 4.14Å; T405-E415 WeakPolarHBondContact CG2-O 3.45Å; T405-E415 PolarHBondContact OG1-N 3.39Å; T405-E415 VanDerWaalsContact OG1-N 3.13Å; T405-E415 PolarHBondContact OG1-OE2 3Å
416	F	97.3	Very high	96.1	Very high	16 Å²	16	57.7 Å²	57.7	7%	0.07	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	139.8	171.1	-60.5	-86.3	0	0	0	109.3	F368 H369 F388 V390 Y398 Q418 L420	F368-F416 HydrophobicContact CB-CE2 4.24Å; F368-F416 AromaticContact CD1-CE2 3.66Å; F368-F416 HydrophobicContact CD1-CE2 3.66Å; F368-F416 AromaticContact CD1-CZ 3.7Å; F368-F416 HydrophobicContact CD1-CZ 3.7Å; F368-F416 AromaticContact CD2-CE2 3.91Å; F368-F416 HydrophobicContact CD2-CE2 3.91Å; F368-F416 AromaticContact CE1-CE2 3.97Å; F368-F416 HydrophobicContact CE1-CE2 3.97Å; F368-F416 AromaticContact CE1-CZ 3.83Å; F368-F416 HydrophobicContact CE1-CZ 3.83Å; F368-F416 HydrophobicContact CE2-CE2 4.19Å; F368-F416 AromaticContact CG-CE2 3.64Å; F368-F416 HydrophobicContact CG-CE2 3.64Å; F368-F416 HydrophobicContact CG-CZ 4.17Å; F368-F416 HydrophobicContact CZ-CE2 4.23Å; F368-F416 HydrophobicContact CZ-CZ 4.39Å; F368-F416 WeakPolarHBondContact O-CD2 3.28Å; H369-F416 WeakPolarHBondContact O-CD2 3.2Å; H369-F416 PolarHBondContact O-N 3.11Å; H369-F416 VanDerWaalsContact O-N 3.12Å; F388-F416 AromaticContact CE2-CE1 3.63Å; F388-F416 HydrophobicContact CE2-CE1 3.63Å; F388-F416 AromaticContact CE2-CZ 3.81Å; F388-F416 HydrophobicContact CE2-CZ 3.81Å; F388-F416 HydrophobicContact CZ-CD1 4.46Å; F388-F416 AromaticContact CZ-CE1 3.88Å; F388-F416 HydrophobicContact CZ-CE1 3.88Å; F388-F416 HydrophobicContact CZ-CZ 4.12Å; V390-F416 HydrophobicContact CG2-CE1 4.1Å; V390-F416 HydrophobicContact CG2-CZ 4.04Å; Y398-F416 AromaticContact CD1-CD1 3.83Å; Y398-F416 HydrophobicContact CD1-CD1 3.83Å; Y398-F416 AromaticContact CD1-CE1 3.48Å; Y398-F416 HydrophobicContact CD1-CE1 3.48Å; Y398-F416 VanDerWaalsContact CD1-CE1 3.48Å; Y398-F416 AromaticContact CD2-CD1 3.97Å; Y398-F416 HydrophobicContact CD2-CD1 3.97Å; Y398-F416 HydrophobicContact CD2-CE1 4.27Å; Y398-F416 AromaticContact CE1-CD1 3.7Å; Y398-F416 HydrophobicContact CE1-CD1 3.7Å; Y398-F416 AromaticContact CE1-CE1 3.7Å; Y398-F416 HydrophobicContact CE1-CE1 3.7Å; Y398-F416 AromaticContact CE2-CD1 3.88Å; Y398-F416 HydrophobicContact CE2-CD1 3.88Å; Y398-F416 HydrophobicContact CE2-CE1 4.49Å; Y398-F416 AromaticContact CG-CD1 3.94Å; Y398-F416 HydrophobicContact CG-CD1 3.94Å; Y398-F416 AromaticContact CG-CE1 3.76Å; Y398-F416 HydrophobicContact CG-CE1 3.76Å; Y398-F416 AromaticContact CZ-CD1 3.71Å; F416-Q418 WeakPolarHBondContact CB-O 3.35Å; F416-Q418 PolarHBondContact O-N 2.71Å; F416-Q418 VanDerWaalsContact O-N 3.15Å; F416-L420 HydrophobicContact CD1-CB 4.01Å; F416-L420 HydrophobicContact CD1-CD2 4.21Å; F416-L420 HydrophobicContact CD2-CB 4.31Å; F416-L420 HydrophobicContact CE1-CB 4.14Å; F416-L420 HydrophobicContact CE1-CD2 3.59Å; F416-L420 HydrophobicContact CE1-CG 4.47Å; F416-L420 HydrophobicContact CE2-CB 4.46Å; F416-L420 HydrophobicContact CG-CB 4.11Å; F416-L420 HydrophobicContact CZ-CB 4.37Å; F416-L420 HydrophobicContact CZ-CD2 3.87Å
417	P	95.9	Very high	96.3	Very high	115 Å²	115	54 Å²	54	75%	0.747	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.6	-26.1	179.1	-25.9	35	0	0	0	114.3
418	Q	95.5	Very high	96.6	Very high	164 Å²	164	48.3 Å²	48.3	77%	0.766	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.6	149.4	164.4	-63.1	-179.2	5.3	0	0	107	F416 L420	F416-Q418 WeakPolarHBondContact CB-O 3.35Å; F416-Q418 PolarHBondContact O-N 2.71Å; F416-Q418 VanDerWaalsContact O-N 3.15Å; Q418-L420 PolarHBondContact O-N 3.48Å
419	P	97.2	Very high	96.9	Very high	54 Å²	54	46 Å²	46	35%	0.351	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	125.8	-179	-23.5	34.7	0	0	0	111.5	L367 F368 H369 P421	L367-P419 HydrophobicContact CB-CB 3.9Å; L367-P419 HydrophobicContact CD1-CB 4.42Å; F368-P419 WeakPolarHBondContact O-CA 3Å; H369-P419 WeakPolarHBondContact ND1-CG 2.9Å; P419-P421 WeakPolarHBondContact O-CD 3.3Å
420	L	98.2	Very high	97.3	Very high	20 Å²	20	40.7 Å²	40.7	11%	0.105	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	117.3	-174.8	178.7	70.4	0	0	0	109.6	F368 V390 I397 F416 Q418 V422	F368-L420 HydrophobicContact CB-CB 4.34Å; F368-L420 WeakPolarHBondContact CB-O 3.47Å; F368-L420 HydrophobicContact CD1-CD2 4.48Å; F368-L420 PolarHBondContact N-O 2.76Å; F368-L420 PolarHBondContact O-N 3.33Å; V390-L420 HydrophobicContact CB-CD2 4.07Å; V390-L420 HydrophobicContact CG1-CD2 4.02Å; V390-L420 HydrophobicContact CG2-CD2 4.11Å; I397-L420 HydrophobicContact CD1-CD1 4.28Å; I397-L420 HydrophobicContact CD1-CD2 3.89Å; I397-L420 HydrophobicContact CD1-CG 4.14Å; I397-L420 HydrophobicContact CG1-CD1 4.49Å; I397-L420 HydrophobicContact CG1-CD2 4.22Å; F416-L420 HydrophobicContact CD1-CB 4.01Å; F416-L420 HydrophobicContact CD1-CD2 4.21Å; F416-L420 HydrophobicContact CD2-CB 4.31Å; F416-L420 HydrophobicContact CE1-CB 4.14Å; F416-L420 HydrophobicContact CE1-CD2 3.59Å; F416-L420 HydrophobicContact CE1-CG 4.47Å; F416-L420 HydrophobicContact CE2-CB 4.46Å; F416-L420 HydrophobicContact CG-CB 4.11Å; F416-L420 HydrophobicContact CZ-CB 4.37Å; F416-L420 HydrophobicContact CZ-CD2 3.87Å; Q418-L420 PolarHBondContact O-N 3.48Å; L420-V422 HydrophobicContact CD2-CG1 4.28Å; L420-V422 HydrophobicContact CG-CG1 4.25Å; L420-V422 PolarHBondContact O-N 2.73Å
421	P	97.9	Very high	97.5	Very high	88 Å²	88	37.2 Å²	37.2	57%	0.571	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	132.4	173.7	27.2	-34.3	0	0	0	110.4	L367 P419	L367-P421 HydrophobicContact CD2-CB 4.34Å; P419-P421 WeakPolarHBondContact O-CD 3.3Å
422	V	98.1	Very high	97.5	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.024	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	145.5	-179.7	-69.6	0	0	0	0	111	L366 F368 I397 L420 I426 T450 F520	L366-V422 HydrophobicContact CB-CG2 4.09Å; L366-V422 PolarHBondContact N-O 3.04Å; L366-V422 WeakPolarHBondContact O-CG2 3.45Å; L366-V422 PolarHBondContact O-N 2.84Å; F368-V422 HydrophobicContact CB-CG1 4.22Å; F368-V422 HydrophobicContact CB-CG2 3.99Å; F368-V422 HydrophobicContact CD1-CG1 4.28Å; I397-V422 HydrophobicContact CD1-CG1 3.9Å; L420-V422 HydrophobicContact CD2-CG1 4.28Å; L420-V422 HydrophobicContact CG-CG1 4.25Å; L420-V422 PolarHBondContact O-N 2.73Å; V422-I426 HydrophobicContact CB-CD1 4.37Å; V422-I426 HydrophobicContact CB-CG2 4.05Å; V422-I426 HydrophobicContact CG1-CD1 4.36Å; V422-I426 HydrophobicContact CG1-CG2 4.21Å; V422-I426 HydrophobicContact CG2-CD1 4.46Å; V422-T450 HydrophobicContact CB-CG2 4.36Å; V422-T450 HydrophobicContact CG2-CG2 3.99Å; V422-F520 HydrophobicContact CG2-CD1 4.19Å; V422-F520 HydrophobicContact CG2-CE1 4.05Å
423	C	97.1	Very high	97.2	Very high	35 Å²	35	38 Å²	38	24%	0.236	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	137.3	177.3	-165.1	0	0	0	0	111.7	P363 V364 Q392	P363-C423 WeakPolarHBondContact CB-SG 3.4Å; V364-C423 VanDerWaalsContact C-SG 3.55Å; V364-C423 PolarHBondContact O-SG 2.88Å; Q392-C423 WeakPolarHBondContact CG-O 3.32Å; Q392-C423 PolarHBondContact NE2-O 2.73Å; Q392-C423 PolarHBondContact OE1-O 2.67Å
424	G	97	Very high	96.5	Very high	7 Å²	7	40.3 Å²	40.3	7%	0.072	21%	0.214	C	C	.	.	S	Bend	trans	69.4	-140.6	178.4	0	0	0	0	0	113.4	Y361 I426 N449 T450	Y361-G424 WeakPolarHBondContact OH-CA 3.44Å; G424-I426 PolarHBondContact O-N 2.89Å; G424-N449 WeakPolarHBondContact O-CA 3.45Å; G424-T450 PolarHBondContact N-OG1 2.88Å; G424-T450 PolarHBondContact O-N 2.81Å; G424-T450 VanDerWaalsContact O-N 3.15Å
425	D	98.2	Very high	95.2	Very high	9 Å²	9	46.9 Å²	46.9	5%	0.048	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	109.1	-175.5	-63.5	-38.8	0	0	0	111.9	Q270 L271 Y347 L393 W447 N449	Q270-D425 WeakPolarHBondContact CA-OD2 3.44Å; L271-D425 PolarHBondContact N-OD2 3.25Å; Y347-D425 VanDerWaalsContact CE1-OD1 3.31Å; Y347-D425 WeakPolarHBondContact CE1-OD1 3.25Å; Y347-D425 PolarHBondContact OH-OD1 2.98Å; L393-D425 PolarHBondContact N-O 2.77Å; D425-W447 HydrophobicContact CB-CE3 4.41Å; D425-W447 HydrophobicContact CB-CZ3 4.36Å; D425-N449 WeakPolarHBondContact OD1-CB 3.4Å; D425-N449 PolarHBondContact OD1-ND2 3.12Å
426	I	98.1	Very high	93.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	140.3	176	62.5	172.5	0	0	0	112.3	C391 Q392 V422 G424 W447 V448 F520	C391-I426 WeakPolarHBondContact O-CA 3.32Å; Q392-I426 HydrophobicContact CB-CG2 4.19Å; Q392-I426 HydrophobicContact CG-CG2 4.15Å; V422-I426 HydrophobicContact CB-CD1 4.37Å; V422-I426 HydrophobicContact CB-CG2 4.05Å; V422-I426 HydrophobicContact CG1-CD1 4.36Å; V422-I426 HydrophobicContact CG1-CG2 4.21Å; V422-I426 HydrophobicContact CG2-CD1 4.46Å; G424-I426 PolarHBondContact O-N 2.89Å; I426-W447 VanDerWaalsContact O-CA 3.31Å; I426-W447 WeakPolarHBondContact O-CA 3.49Å; I426-V448 HydrophobicContact CD1-CG2 3.95Å; I426-V448 HydrophobicContact CG1-CG2 3.63Å; I426-V448 PolarHBondContact N-O 3.41Å; I426-V448 PolarHBondContact O-N 2.68Å; I426-F520 HydrophobicContact CD1-CE1 4.33Å; I426-F520 HydrophobicContact CD1-CZ 4.45Å
427	K	98.6	Very high	92.5	Very high	32 Å²	32	58.3 Å²	58.3	14%	0.139	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	132.1	172.5	-172.6	-164.2	-179.4	-160.2	0	109.5	V390 C391 E429 F446 W447	V390-K427 WeakPolarHBondContact CA-O 3.32Å; C391-K427 HydrophobicContact CB-CB 4.35Å; C391-K427 PolarHBondContact N-O 2.88Å; C391-K427 PolarHBondContact O-N 3.12Å; K427-E429 WeakPolarHBondContact CE-OE1 3.27Å; K427-E429 IonicContact NZ-OE1 2.74Å; K427-E429 PolarHBondContact NZ-OE1 3.14Å; K427-E429 IonicContact NZ-OE2 2.75Å; K427-E429 PolarHBondContact NZ-OE2 3.32Å; K427-F446 WeakPolarHBondContact CA-O 3.41Å; K427-W447 HydrophobicContact CB-CD2 3.73Å; K427-W447 HydrophobicContact CB-CE3 3.84Å; K427-W447 HydrophobicContact CB-CG 4.39Å; K427-W447 HydrophobicContact CB-CH2 3.93Å; K427-W447 HydrophobicContact CB-CZ2 3.83Å; K427-W447 HydrophobicContact CB-CZ3 3.93Å; K427-W447 HydrophobicContact CD-CZ2 3.86Å; K427-W447 HydrophobicContact CG-CD2 4.07Å; K427-W447 HydrophobicContact CG-CG 4.41Å; K427-W447 HydrophobicContact CG-CZ2 4.02Å
428	V	98.7	Very high	91.4	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	134.8	165.1	-171.1	0	0	0	0	109.4	F368 M371 F388 V389 V390 F430 H445 F446	F368-V428 HydrophobicContact CE1-CG2 4.2Å; M371-V428 HydrophobicContact CE-CG1 3.99Å; M371-V428 HydrophobicContact SD-CG1 3.89Å; F388-V428 HydrophobicContact CD2-CG1 4.32Å; V389-V428 WeakPolarHBondContact O-CA 3.44Å; V390-V428 HydrophobicContact CG1-CG2 4.35Å; V390-V428 HydrophobicContact CG2-CG1 4.46Å; V390-V428 HydrophobicContact CG2-CG2 4.35Å; V428-F430 HydrophobicContact CG1-CD2 4.07Å; V428-F430 HydrophobicContact CG1-CE2 3.67Å; V428-H445 CarbonylContact O-C 3.21Å; V428-H445 WeakPolarHBondContact O-CA 3.32Å; V428-H445 VanDerWaalsContact O-CB 3.28Å; V428-H445 WeakPolarHBondContact O-CB 3.41Å; V428-F446 HydrophobicContact CB-CD1 4.41Å; V428-F446 HydrophobicContact CB-CD2 4.4Å; V428-F446 HydrophobicContact CB-CE1 3.8Å; V428-F446 HydrophobicContact CB-CE2 3.77Å; V428-F446 HydrophobicContact CB-CZ 3.45Å; V428-F446 VanDerWaalsContact CB-CZ 3.45Å; V428-F446 HydrophobicContact CG1-CE1 4.25Å; V428-F446 HydrophobicContact CG1-CZ 4.08Å; V428-F446 HydrophobicContact CG2-CE1 4.44Å; V428-F446 HydrophobicContact CG2-CE2 3.62Å; V428-F446 HydrophobicContact CG2-CZ 3.59Å; V428-F446 PolarHBondContact N-O 2.78Å; V428-F446 PolarHBondContact O-N 2.61Å
429	E	98.5	Very high	90.6	Very high	28 Å²	28	59.2 Å²	59.2	13%	0.131	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	123	-176	-174.4	160.2	-112.9	0	0	110.9	F388 V389 K427 F431 K442 H445	F388-E429 CarbonylContact C-O 3.55Å; F388-E429 VanDerWaalsContact CA-O 3.25Å; F388-E429 WeakPolarHBondContact CA-O 3.36Å; V389-E429 PolarHBondContact N-O 2.86Å; V389-E429 PolarHBondContact O-N 2.98Å; K427-E429 WeakPolarHBondContact CE-OE1 3.27Å; K427-E429 IonicContact NZ-OE1 2.74Å; K427-E429 PolarHBondContact NZ-OE1 3.14Å; K427-E429 IonicContact NZ-OE2 2.75Å; K427-E429 PolarHBondContact NZ-OE2 3.32Å; E429-F431 HydrophobicContact CB-CE2 4.24Å; E429-F431 HydrophobicContact CG-CE1 4.33Å; E429-F431 HydrophobicContact CG-CE2 3.71Å; E429-F431 HydrophobicContact CG-CZ 3.59Å; E429-K442 WeakPolarHBondContact OE1-CE 3.44Å; E429-K442 IonicContact OE1-NZ 2.62Å; E429-K442 PolarHBondContact OE1-NZ 2.6Å; E429-H445 HydrophobicContact CB-CB 3.96Å; E429-H445 HydrophobicContact CG-CB 3.94Å; E429-H445 IonicContact OE1-CD2 3.48Å; E429-H445 IonicContact OE1-CG 3.7Å
430	F	98.5	Very high	90	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	139.9	-177.6	-80.9	-95.8	0	0	0	111.4	M371 F373 P386 Q387 F388 F414 V428 M443 F444	M371-F430 HydrophobicContact CE-CE2 3.97Å; M371-F430 HydrophobicContact CE-CZ 3.55Å; M371-F430 HydrophobicContact SD-CE2 3.86Å; M371-F430 HydrophobicContact SD-CZ 3.84Å; F373-F430 HydrophobicContact CE1-CD1 4.39Å; F373-F430 AromaticContact CE1-CE1 3.83Å; F373-F430 HydrophobicContact CE1-CE1 3.83Å; F373-F430 HydrophobicContact CE1-CE2 4.17Å; F373-F430 AromaticContact CE1-CZ 3.7Å; F373-F430 HydrophobicContact CE1-CZ 3.7Å; F373-F430 HydrophobicContact CE2-CE1 4.41Å; F373-F430 AromaticContact CZ-CD1 3.62Å; F373-F430 HydrophobicContact CZ-CD1 3.62Å; F373-F430 HydrophobicContact CZ-CD2 4.46Å; F373-F430 AromaticContact CZ-CE1 3.4Å; F373-F430 HydrophobicContact CZ-CE1 3.4Å; F373-F430 HydrophobicContact CZ-CE2 4.28Å; F373-F430 HydrophobicContact CZ-CG 4.15Å; F373-F430 AromaticContact CZ-CZ 3.76Å; F373-F430 HydrophobicContact CZ-CZ 3.76Å; P386-F430 HydrophobicContact CB-CD1 4.48Å; Q387-F430 CarbonylContact O-C 3.43Å; Q387-F430 WeakPolarHBondContact O-CA 3.25Å; F388-F430 HydrophobicContact CB-CD1 3.65Å; F388-F430 HydrophobicContact CB-CD2 4.13Å; F388-F430 HydrophobicContact CB-CE1 3.62Å; F388-F430 HydrophobicContact CB-CE2 4.1Å; F388-F430 HydrophobicContact CB-CG 3.92Å; F388-F430 HydrophobicContact CB-CZ 3.86Å; F388-F430 AromaticContact CD1-CE1 3.97Å; F388-F430 HydrophobicContact CD1-CE1 3.97Å; F388-F430 HydrophobicContact CD1-CZ 4.25Å; F388-F430 HydrophobicContact CG-CE1 4.05Å; F388-F430 HydrophobicContact CG-CZ 4.1Å; F414-F430 HydrophobicContact CD1-CE1 4.11Å; F414-F430 HydrophobicContact CD2-CE1 4.28Å; F414-F430 HydrophobicContact CD2-CZ 4.41Å; F414-F430 AromaticContact CE1-CE1 3.92Å; F414-F430 HydrophobicContact CE1-CE1 3.92Å; F414-F430 HydrophobicContact CE2-CE1 4.1Å; F414-F430 HydrophobicContact CG-CE1 4.28Å; F414-F430 HydrophobicContact CG-CZ 4.5Å; F414-F430 AromaticContact CZ-CE1 3.91Å; F414-F430 HydrophobicContact CZ-CE1 3.91Å; V428-F430 HydrophobicContact CG1-CD2 4.07Å; V428-F430 HydrophobicContact CG1-CE2 3.67Å; F430-M443 HydrophobicContact CB-CB 4.26Å; F430-M443 HydrophobicContact CB-SD 4.37Å; F430-M443 WeakPolarHBondContact O-CB 3.46Å; F430-M443 PolarHBondContact O-N 2.91Å; F430-F444 HydrophobicContact CB-CD1 4.18Å; F430-F444 HydrophobicContact CB-CE1 3.91Å; F430-F444 HydrophobicContact CB-CE2 4.44Å; F430-F444 HydrophobicContact CB-CZ 4.05Å; F430-F444 HydrophobicContact CD1-CZ 4.47Å; F430-F444 HydrophobicContact CD2-CD2 4.38Å; F430-F444 HydrophobicContact CD2-CE1 4.17Å; F430-F444 AromaticContact CD2-CE2 3.55Å; F430-F444 HydrophobicContact CD2-CE2 3.55Å; F430-F444 AromaticContact CD2-CZ 3.42Å; F430-F444 HydrophobicContact CD2-CZ 3.42Å; F430-F444 VanDerWaalsContact CD2-CZ 3.42Å; F430-F444 HydrophobicContact CE2-CE2 4.1Å; F430-F444 AromaticContact CE2-CZ 3.91Å; F430-F444 HydrophobicContact CE2-CZ 3.91Å; F430-F444 HydrophobicContact CG-CE1 4.03Å; F430-F444 HydrophobicContact CG-CE2 4.23Å; F430-F444 AromaticContact CG-CZ 3.74Å; F430-F444 HydrophobicContact CG-CZ 3.74Å; F430-F444 PolarHBondContact N-O 2.89Å; F430-F444 PolarHBondContact O-N 3.25Å
431	F	97.3	Very high	89.8	Confident	39 Å²	39	62.6 Å²	62.6	17%	0.171	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	144.6	179.5	-52.6	-97.7	0	0	0	110.5	P386 Q387 V389 E429 K440 D441 K442	P386-F431 CarbonylContact C-O 3.6Å; P386-F431 WeakPolarHBondContact CA-O 3.24Å; Q387-F431 PolarHBondContact N-O 2.96Å; Q387-F431 PolarHBondContact O-N 3Å; V389-F431 HydrophobicContact CB-CE2 4.47Å; V389-F431 HydrophobicContact CG2-CE2 3.95Å; E429-F431 HydrophobicContact CB-CE2 4.24Å; E429-F431 HydrophobicContact CG-CE1 4.33Å; E429-F431 HydrophobicContact CG-CE2 3.71Å; E429-F431 HydrophobicContact CG-CZ 3.59Å; F431-K440 HydrophobicContact CB-CB 3.89Å; F431-K440 HydrophobicContact CB-CD 4.39Å; F431-K440 HydrophobicContact CD1-CB 4.27Å; F431-K440 HydrophobicContact CG-CB 4.37Å; F431-D441 CarbonylContact C-O 3.52Å; F431-D441 VanDerWaalsContact CA-O 3.31Å; F431-D441 WeakPolarHBondContact CA-O 3.19Å; F431-K442 HydrophobicContact CD1-CB 4.12Å; F431-K442 HydrophobicContact CE1-CB 4.27Å
432	H	95.7	Very high	89.7	Confident	7 Å²	7	61.3 Å²	61.3	3%	0.032	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	123.6	164.8	176.4	34.1	0	0	0	108.8	F379 N385 K440 D441 M443	F379-H432 HydrophobicContact CB-CB 4.09Å; F379-H432 HydrophobicContact CD1-CB 4.06Å; F379-H432 HydrophobicContact CG-CB 4.14Å; N385-H432 PolarHBondContact N-CE1 2.7Å; N385-H432 PolarHBondContact N-ND1 2.81Å; N385-H432 VanDerWaalsContact N-ND1 3.15Å; N385-H432 WeakPolarHBondContact O-CA 3.42Å; N385-H432 PolarHBondContact O-ND1 2.62Å; H432-K440 CarbonylContact O-C 3.54Å; H432-K440 VanDerWaalsContact O-CA 3.29Å; H432-K440 WeakPolarHBondContact O-CA 3.34Å; H432-D441 HydrophobicContact CB-CB 4.42Å; H432-D441 PolarHBondContact N-O 3.46Å; H432-D441 PolarHBondContact O-N 3.31Å; H432-M443 HydrophobicContact CB-CG 4.04Å; H432-M443 HydrophobicContact CB-SD 4.14Å; H432-M443 PolarHBondContact N-SD 3.18Å
433	K	90.9	Very high	89.7	Confident	92 Å²	92	61.1 Å²	61.1	40%	0.4	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	111.6	169.3	-170.1	-177.4	-178.5	-174.7	0	109.5	N385	N385-K433 WeakPolarHBondContact CB-O 3.41Å; N385-K433 PolarHBondContact ND2-O 3.25Å; N385-K433 PolarHBondContact O-N 3.32Å
434	Q	83.1	Confident	89.7	Confident	75 Å²	75	59.5 Å²	59.5	35%	0.35	28%	0.283	S	S	.	.			trans	-81	132.8	178.4	-156.3	-178.4	32.2	0	0	110.7	K436 M437	Q434-K436 PolarHBondContact O-N 3.1Å; Q434-M437 PolarHBondContact O-N 3.45Å; Q434-M437 PolarHBondContact OE1-SD 2.89Å
435	N	70.6	Confident	89.8	Confident	139 Å²	139	60.1 Å²	60.1	74%	0.743	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	0.8	-168	-65.6	-0.9	0	0	0	116	N385	N385-N435 PolarHBondContact ND2-OD1 2.74Å
436	K	68.4	Low	89.8	Confident	200 Å²	200	59.7 Å²	59.7	87%	0.87	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-132.2	3.4	-178.5	-66.1	-172.7	177.9	-178	0	114.5	Q434	Q434-K436 PolarHBondContact O-N 3.1Å
437	M	69.6	Low	89.8	Confident	116 Å²	116	61.2 Å²	61.2	57%	0.571	29%	0.288	S	S	*	.			trans	-134	151.2	-177.4	-64.1	-171.1	75.8	0	0	111.6	Q434	Q434-M437 PolarHBondContact O-N 3.45Å; Q434-M437 PolarHBondContact OE1-SD 2.89Å
438	L	72.8	Confident	89.8	Confident	176 Å²	176	59.7 Å²	59.7	92%	0.921	28%	0.281	S	S	*	.	S	Bend	trans	-79.8	-23.1	174.9	-66.5	173.8	0	0	0	112.6
439	K	78.5	Confident	89.8	Confident	123 Å²	123	59.7 Å²	59.7	54%	0.535	28%	0.281	S	S	.	.			trans	-66.2	141.5	172.5	-169.8	162.3	-177.6	160.2	0	109.5	D557	K439-D557 IonicContact NZ-OD2 3.42Å
440	K	85.2	Confident	89.7	Confident	84 Å²	84	58.4 Å²	58.4	37%	0.365	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.8	172.5	-45.5	176.8	-166.6	177.3	0	108	Q387 F431 H432 K442	Q387-K440 VanDerWaalsContact OE1-CE 3.3Å; F431-K440 HydrophobicContact CB-CB 3.89Å; F431-K440 HydrophobicContact CB-CD 4.39Å; F431-K440 HydrophobicContact CD1-CB 4.27Å; F431-K440 HydrophobicContact CG-CB 4.37Å; H432-K440 CarbonylContact O-C 3.54Å; H432-K440 VanDerWaalsContact O-CA 3.29Å; H432-K440 WeakPolarHBondContact O-CA 3.34Å; K440-K442 PolarHBondContact O-N 2.88Å
441	D	92.3	Very high	89.5	Confident	60 Å²	60	59.8 Å²	59.8	32%	0.321	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	115.5	-177.1	-56.6	-48.2	0	0	0	109.6	F431 H432 M443	F431-D441 CarbonylContact C-O 3.52Å; F431-D441 VanDerWaalsContact CA-O 3.31Å; F431-D441 WeakPolarHBondContact CA-O 3.19Å; H432-D441 HydrophobicContact CB-CB 4.42Å; H432-D441 PolarHBondContact N-O 3.46Å; H432-D441 PolarHBondContact O-N 3.31Å; D441-M443 PolarHBondContact O-N 2.66Å
442	K	95.9	Very high	89.4	Confident	61 Å²	61	58.4 Å²	58.4	27%	0.265	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	114.7	177.2	176.7	167.3	171	168.1	0	109.8	E429 F431 K440 H445 K500	E429-K442 WeakPolarHBondContact OE1-CE 3.44Å; E429-K442 IonicContact OE1-NZ 2.62Å; E429-K442 PolarHBondContact OE1-NZ 2.6Å; F431-K442 HydrophobicContact CD1-CB 4.12Å; F431-K442 HydrophobicContact CE1-CB 4.27Å; K440-K442 PolarHBondContact O-N 2.88Å; K442-H445 WeakPolarHBondContact CE-CE1 3.4Å; K442-H445 WeakPolarHBondContact CE-ND1 3.34Å; K442-H445 PolarHBondContact NZ-CD2 3.5Å; K442-H445 VanDerWaalsContact NZ-CD2 3.29Å; K442-H445 PolarHBondContact NZ-CE1 2.93Å; K442-H445 PolarHBondContact NZ-ND1 2.89Å; K442-H445 PolarHBondContact NZ-NE2 2.94Å; K442-K500 HydrophobicContact CG-CD 4.47Å; K442-K500 WeakPolarHBondContact O-CD 3.38Å; K442-K500 WeakPolarHBondContact O-CE 3.22Å; K442-K500 PolarHBondContact O-NZ 3.13Å
443	M	97.8	Very high	89.2	Confident	1 Å²	1	58.1 Å²	58.1	1%	0.005	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	-63.8	-179.1	-62.7	169.5	67.2	0	0	109.4	P377 F379 C384 P386 F430 H432 D441 F510	P377-M443 HydrophobicContact CB-CE 3.61Å; P377-M443 HydrophobicContact CG-CE 3.7Å; F379-M443 HydrophobicContact CD1-CG 4.23Å; F379-M443 HydrophobicContact CD2-CE 3.99Å; F379-M443 HydrophobicContact CD2-CG 4.21Å; F379-M443 HydrophobicContact CE1-CB 4.27Å; F379-M443 HydrophobicContact CE1-CG 3.86Å; F379-M443 HydrophobicContact CE2-CB 4.09Å; F379-M443 HydrophobicContact CE2-CE 3.9Å; F379-M443 HydrophobicContact CE2-CG 3.85Å; F379-M443 HydrophobicContact CG-CG 4.41Å; F379-M443 HydrophobicContact CZ-CB 3.74Å; F379-M443 HydrophobicContact CZ-CG 3.67Å; C384-M443 HydrophobicContact CB-CE 4.15Å; P386-M443 HydrophobicContact CB-SD 4.26Å; F430-M443 HydrophobicContact CB-CB 4.26Å; F430-M443 HydrophobicContact CB-SD 4.37Å; F430-M443 WeakPolarHBondContact O-CB 3.46Å; F430-M443 PolarHBondContact O-N 2.91Å; H432-M443 HydrophobicContact CB-CG 4.04Å; H432-M443 HydrophobicContact CB-SD 4.14Å; H432-M443 PolarHBondContact N-SD 3.18Å; D441-M443 PolarHBondContact O-N 2.66Å; M443-F510 HydrophobicContact CB-CZ 4.17Å
444	F	98.5	Very high	88.6	Confident	0 Å²	0	55 Å²	55	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.8	173.8	178.4	67.3	-90.2	0	0	0	110.6	F373 F430 F446 L498 D499 A501 F510 F514 V516	F373-F444 HydrophobicContact CE1-CE1 4.28Å; F373-F444 AromaticContact CE1-CZ 3.71Å; F373-F444 HydrophobicContact CE1-CZ 3.71Å; F373-F444 HydrophobicContact CE2-CE1 4.38Å; F373-F444 AromaticContact CZ-CE1 3.75Å; F373-F444 HydrophobicContact CZ-CE1 3.75Å; F373-F444 AromaticContact CZ-CZ 3.6Å; F373-F444 HydrophobicContact CZ-CZ 3.6Å; F430-F444 HydrophobicContact CB-CD1 4.18Å; F430-F444 HydrophobicContact CB-CE1 3.91Å; F430-F444 HydrophobicContact CB-CE2 4.44Å; F430-F444 HydrophobicContact CB-CZ 4.05Å; F430-F444 HydrophobicContact CD1-CZ 4.47Å; F430-F444 HydrophobicContact CD2-CD2 4.38Å; F430-F444 HydrophobicContact CD2-CE1 4.17Å; F430-F444 AromaticContact CD2-CE2 3.55Å; F430-F444 HydrophobicContact CD2-CE2 3.55Å; F430-F444 AromaticContact CD2-CZ 3.42Å; F430-F444 HydrophobicContact CD2-CZ 3.42Å; F430-F444 VanDerWaalsContact CD2-CZ 3.42Å; F430-F444 HydrophobicContact CE2-CE2 4.1Å; F430-F444 AromaticContact CE2-CZ 3.91Å; F430-F444 HydrophobicContact CE2-CZ 3.91Å; F430-F444 HydrophobicContact CG-CE1 4.03Å; F430-F444 HydrophobicContact CG-CE2 4.23Å; F430-F444 AromaticContact CG-CZ 3.74Å; F430-F444 HydrophobicContact CG-CZ 3.74Å; F430-F444 PolarHBondContact N-O 2.89Å; F430-F444 PolarHBondContact O-N 3.25Å; F444-F446 HydrophobicContact CD2-CD1 4.35Å; F444-F446 HydrophobicContact CE2-CD1 4.1Å; F444-F446 HydrophobicContact CE2-CE1 4.12Å; F444-L498 HydrophobicContact CB-CB 4.41Å; F444-L498 HydrophobicContact CD2-CB 4.1Å; F444-L498 HydrophobicContact CD2-CD1 4Å; F444-L498 HydrophobicContact CD2-CD2 3.83Å; F444-L498 HydrophobicContact CD2-CG 4.19Å; F444-L498 HydrophobicContact CE2-CD1 4.03Å; F444-L498 HydrophobicContact CE2-CD2 3.88Å; F444-L498 HydrophobicContact CE2-CG 4.47Å; F444-L498 HydrophobicContact CG-CB 4.46Å; F444-L498 HydrophobicContact CG-CD1 4.43Å; F444-L498 HydrophobicContact CZ-CD1 4.5Å; F444-D499 CarbonylContact C-O 3.58Å; F444-D499 VanDerWaalsContact CA-O 3.26Å; F444-D499 WeakPolarHBondContact CA-O 3.48Å; F444-D499 WeakPolarHBondContact CB-O 3.42Å; F444-A501 HydrophobicContact CB-CB 3.75Å; F444-A501 HydrophobicContact CG-CB 4.38Å; F444-F510 HydrophobicContact CB-CZ 4.41Å; F444-F510 AromaticContact CD1-CE1 3.64Å; F444-F510 HydrophobicContact CD1-CE1 3.64Å; F444-F510 AromaticContact CD1-CZ 3.79Å; F444-F510 HydrophobicContact CD1-CZ 3.79Å; F444-F510 HydrophobicContact CE1-CE1 4.1Å; F444-F514 HydrophobicContact CD1-CE1 4.32Å; F444-F514 AromaticContact CE1-CE1 3.9Å; F444-F514 HydrophobicContact CE1-CE1 3.9Å; F444-F514 AromaticContact CE1-CZ 3.76Å; F444-F514 HydrophobicContact CE1-CZ 3.76Å; F444-F514 HydrophobicContact CZ-CE1 4.21Å; F444-F514 HydrophobicContact CZ-CZ 4.07Å; F444-V516 HydrophobicContact CE2-CG2 4Å; F444-V516 HydrophobicContact CZ-CG2 3.74Å
445	H	98.7	Very high	87.5	Confident	21 Å²	21	52.4 Å²	52.4	10%	0.097	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	169.4	172	54.4	-38.3	0	0	0	110.3	V428 E429 K442 D499	V428-H445 CarbonylContact O-C 3.21Å; V428-H445 WeakPolarHBondContact O-CA 3.32Å; V428-H445 VanDerWaalsContact O-CB 3.28Å; V428-H445 WeakPolarHBondContact O-CB 3.41Å; E429-H445 HydrophobicContact CB-CB 3.96Å; E429-H445 HydrophobicContact CG-CB 3.94Å; E429-H445 IonicContact OE1-CD2 3.48Å; E429-H445 IonicContact OE1-CG 3.7Å; K442-H445 WeakPolarHBondContact CE-CE1 3.4Å; K442-H445 WeakPolarHBondContact CE-ND1 3.34Å; K442-H445 PolarHBondContact NZ-CD2 3.5Å; K442-H445 VanDerWaalsContact NZ-CD2 3.29Å; K442-H445 PolarHBondContact NZ-CE1 2.93Å; K442-H445 PolarHBondContact NZ-ND1 2.89Å; K442-H445 PolarHBondContact NZ-NE2 2.94Å; H445-D499 WeakPolarHBondContact CE1-CB 3.14Å; H445-D499 PolarHBondContact N-O 2.87Å; H445-D499 VanDerWaalsContact ND1-CB 3.31Å; H445-D499 WeakPolarHBondContact ND1-CB 3.31Å; H445-D499 PolarHBondContact ND1-O 3.17Å; H445-D499 VanDerWaalsContact ND1-O 3.11Å; H445-D499 WeakPolarHBondContact O-CA 3.2Å; H445-D499 WeakPolarHBondContact O-CB 3.47Å; H445-D499 PolarHBondContact O-N 3.19Å
446	F	98.6	Very high	86.4	Confident	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	156.3	170	56.1	-92.1	0	0	0	110.3	M371 K427 V428 F444 V448 L493 L498 L518	M371-F446 HydrophobicContact SD-CZ 4.42Å; K427-F446 WeakPolarHBondContact CA-O 3.41Å; V428-F446 HydrophobicContact CB-CD1 4.41Å; V428-F446 HydrophobicContact CB-CD2 4.4Å; V428-F446 HydrophobicContact CB-CE1 3.8Å; V428-F446 HydrophobicContact CB-CE2 3.77Å; V428-F446 HydrophobicContact CB-CZ 3.45Å; V428-F446 VanDerWaalsContact CB-CZ 3.45Å; V428-F446 HydrophobicContact CG1-CE1 4.25Å; V428-F446 HydrophobicContact CG1-CZ 4.08Å; V428-F446 HydrophobicContact CG2-CE1 4.44Å; V428-F446 HydrophobicContact CG2-CE2 3.62Å; V428-F446 HydrophobicContact CG2-CZ 3.59Å; V428-F446 PolarHBondContact N-O 2.78Å; V428-F446 PolarHBondContact O-N 2.61Å; F444-F446 HydrophobicContact CD2-CD1 4.35Å; F444-F446 HydrophobicContact CE2-CD1 4.1Å; F444-F446 HydrophobicContact CE2-CE1 4.12Å; F446-V448 HydrophobicContact CD2-CG1 4.03Å; F446-V448 HydrophobicContact CD2-CG2 4.44Å; F446-V448 HydrophobicContact CE2-CG2 4.37Å; F446-L493 HydrophobicContact CB-CD1 3.93Å; F446-L493 HydrophobicContact CD1-CD1 3.9Å; F446-L493 HydrophobicContact CD2-CD1 3.52Å; F446-L493 HydrophobicContact CE1-CD1 4.24Å; F446-L493 HydrophobicContact CE2-CD1 3.91Å; F446-L493 HydrophobicContact CG-CD1 3.5Å; F446-L493 HydrophobicContact CZ-CD1 4.24Å; F446-L498 HydrophobicContact CB-CD2 4.1Å; F446-L498 HydrophobicContact CD1-CD2 3.48Å; F446-L498 VanDerWaalsContact CD1-CD2 3.48Å; F446-L498 HydrophobicContact CE1-CD2 4.23Å; F446-L498 HydrophobicContact CG-CD2 4.09Å; F446-L518 HydrophobicContact CD2-CD1 4.46Å; F446-L518 HydrophobicContact CE1-CD2 4.38Å; F446-L518 HydrophobicContact CE2-CD1 3.54Å; F446-L518 HydrophobicContact CE2-CD2 4.28Å; F446-L518 HydrophobicContact CZ-CD1 3.68Å; F446-L518 HydrophobicContact CZ-CD2 3.58Å; F446-L518 HydrophobicContact CZ-CG 4.29Å
447	W	98.5	Very high	85.5	Confident	32 Å²	32	46.9 Å²	46.9	12%	0.121	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.6	164	-68.7	82.9	0	0	0	110.2	N267 P268 S343 R346 Y347 D425 I426 K427	N267-W447 HydrophobicContact CB-CZ2 4.42Å; N267-W447 PolarHBondContact OD1-NE1 2.7Å; P268-W447 HydrophobicContact CG-CB 3.74Å; P268-W447 HydrophobicContact CG-CD2 4.03Å; P268-W447 HydrophobicContact CG-CG 3.62Å; S343-W447 PolarHBondContact OG-N 3.01Å; R346-W447 PolarHBondContact NH1-O 3.48Å; Y347-W447 HydrophobicContact CE2-CB 3.92Å; D425-W447 HydrophobicContact CB-CE3 4.41Å; D425-W447 HydrophobicContact CB-CZ3 4.36Å; I426-W447 VanDerWaalsContact O-CA 3.31Å; I426-W447 WeakPolarHBondContact O-CA 3.49Å; K427-W447 HydrophobicContact CB-CD2 3.73Å; K427-W447 HydrophobicContact CB-CE3 3.84Å; K427-W447 HydrophobicContact CB-CG 4.39Å; K427-W447 HydrophobicContact CB-CH2 3.93Å; K427-W447 HydrophobicContact CB-CZ2 3.83Å; K427-W447 HydrophobicContact CB-CZ3 3.93Å; K427-W447 HydrophobicContact CD-CZ2 3.86Å; K427-W447 HydrophobicContact CG-CD2 4.07Å; K427-W447 HydrophobicContact CG-CG 4.41Å; K427-W447 HydrophobicContact CG-CZ2 4.02Å
448	V	98.1	Very high	84.4	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	158.5	171.9	-64.7	0	0	0	0	108.8	Y350 I426 F446 L491 L493	Y350-V448 WeakPolarHBondContact OH-CA 3.23Å; I426-V448 HydrophobicContact CD1-CG2 3.95Å; I426-V448 HydrophobicContact CG1-CG2 3.63Å; I426-V448 PolarHBondContact N-O 3.41Å; I426-V448 PolarHBondContact O-N 2.68Å; F446-V448 HydrophobicContact CD2-CG1 4.03Å; F446-V448 HydrophobicContact CD2-CG2 4.44Å; F446-V448 HydrophobicContact CE2-CG2 4.37Å; V448-L491 HydrophobicContact CB-CD2 4.07Å; V448-L491 HydrophobicContact CG1-CD2 3.65Å; V448-L491 HydrophobicContact CG2-CD2 4.35Å; V448-L493 HydrophobicContact CG1-CD1 4.24Å
449	N	97.7	Very high	83	Confident	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.9	174.1	-176.5	-58.8	0	0	0	109.3	Y350 Y361 G424 D425 F451 F452	Y350-N449 HydrophobicContact CD2-CB 4.28Å; Y350-N449 HydrophobicContact CE2-CB 3.79Å; Y350-N449 PolarHBondContact OH-N 2.89Å; Y361-N449 WeakPolarHBondContact CE2-OD1 3.11Å; Y361-N449 PolarHBondContact OH-ND2 2.94Å; Y361-N449 PolarHBondContact OH-OD1 2.88Å; G424-N449 WeakPolarHBondContact O-CA 3.45Å; D425-N449 WeakPolarHBondContact OD1-CB 3.4Å; D425-N449 PolarHBondContact OD1-ND2 3.12Å; N449-F451 PolarHBondContact O-N 2.83Å; N449-F451 VanDerWaalsContact O-N 3.17Å; N449-F451 WeakPolarHBondContact OD1-CB 3.08Å; N449-F451 PolarHBondContact OD1-N 3.11Å; N449-F452 HydrophobicContact CB-CD2 3.99Å; N449-F452 HydrophobicContact CB-CE2 4.15Å; N449-F452 PolarHBondContact O-N 3.14Å
450	T	96.9	Very high	81	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-62.2	-22	-172.7	56	0	0	0	0	114.9	V364 L366 V422 G424 F452 I453 P454	V364-T450 VanDerWaalsContact O-CB 3.23Å; V364-T450 WeakPolarHBondContact O-CB 3.2Å; V364-T450 PolarHBondContact O-OG1 2.96Å; L366-T450 HydrophobicContact CD1-CG2 4.14Å; L366-T450 HydrophobicContact CG-CG2 4.48Å; V422-T450 HydrophobicContact CB-CG2 4.36Å; V422-T450 HydrophobicContact CG2-CG2 3.99Å; G424-T450 PolarHBondContact N-OG1 2.88Å; G424-T450 PolarHBondContact O-N 2.81Å; G424-T450 VanDerWaalsContact O-N 3.15Å; T450-F452 VanDerWaalsContact C-N 3.26Å; T450-F452 PolarHBondContact O-N 2.75Å; T450-I453 PolarHBondContact O-N 2.96Å; T450-P454 VanDerWaalsContact O-CD 3.27Å; T450-P454 WeakPolarHBondContact O-CD 3.26Å
451	F	95.4	Very high	78.6	Confident	29 Å²	29	44.6 Å²	44.6	13%	0.127	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-63	-29.3	177.9	176.5	-85.3	0	0	0	113.5	L354 L359 Y361 R362 V364 N449	L354-F451 HydrophobicContact CD2-CD1 4.27Å; L354-F451 HydrophobicContact CD2-CE1 3.45Å; L354-F451 VanDerWaalsContact CD2-CE1 3.45Å; L354-F451 HydrophobicContact CD2-CZ 3.73Å; L359-F451 HydrophobicContact CB-CZ 4.26Å; L359-F451 HydrophobicContact CD1-CE1 4.33Å; L359-F451 HydrophobicContact CD1-CZ 4.17Å; Y361-F451 HydrophobicContact CD2-CB 3.99Å; Y361-F451 HydrophobicContact CD2-CD1 4.32Å; Y361-F451 AromaticContact CD2-CD2 3.91Å; Y361-F451 HydrophobicContact CD2-CD2 3.91Å; Y361-F451 HydrophobicContact CD2-CE2 4.44Å; Y361-F451 AromaticContact CD2-CG 3.83Å; Y361-F451 HydrophobicContact CD2-CG 3.83Å; Y361-F451 HydrophobicContact CE2-CB 3.49Å; Y361-F451 VanDerWaalsContact CE2-CB 3.49Å; Y361-F451 HydrophobicContact CE2-CD2 4.15Å; Y361-F451 AromaticContact CE2-CG 3.88Å; Y361-F451 HydrophobicContact CE2-CG 3.88Å; R362-F451 HydrophobicContact CG-CD2 4.31Å; R362-F451 HydrophobicContact CG-CE2 4.17Å; R362-F451 WeakPolarHBondContact O-CD2 3.32Å; V364-F451 HydrophobicContact CG2-CB 4.13Å; V364-F451 HydrophobicContact CG2-CD2 3.94Å; V364-F451 HydrophobicContact CG2-CG 4.43Å; N449-F451 PolarHBondContact O-N 2.83Å; N449-F451 VanDerWaalsContact O-N 3.17Å; N449-F451 WeakPolarHBondContact OD1-CB 3.08Å; N449-F451 PolarHBondContact OD1-N 3.11Å
452	F	94.4	Very high	75.8	Confident	10 Å²	10	51.7 Å²	51.7	4%	0.044	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-97.7	17.9	-176.9	-51.5	-92.8	0	0	0	113	L271 Y350 Y353 L354 N449 T450 C477	L271-F452 HydrophobicContact CD1-CE2 4.24Å; L271-F452 HydrophobicContact CD1-CZ 4.37Å; L271-F452 HydrophobicContact CD2-CE2 3.65Å; L271-F452 HydrophobicContact CD2-CZ 3.95Å; Y350-F452 VanDerWaalsContact CB-CZ 3.47Å; Y350-F452 HydrophobicContact CD1-CB 3.92Å; Y350-F452 AromaticContact CD1-CD1 3.64Å; Y350-F452 HydrophobicContact CD1-CD1 3.64Å; Y350-F452 AromaticContact CD1-CD2 3.52Å; Y350-F452 HydrophobicContact CD1-CD2 3.52Å; Y350-F452 AromaticContact CD1-CE1 3.99Å; Y350-F452 HydrophobicContact CD1-CE1 3.99Å; Y350-F452 AromaticContact CD1-CE2 3.89Å; Y350-F452 HydrophobicContact CD1-CE2 3.89Å; Y350-F452 AromaticContact CD1-CG 3.39Å; Y350-F452 HydrophobicContact CD1-CG 3.39Å; Y350-F452 HydrophobicContact CD1-CZ 4.12Å; Y350-F452 AromaticContact CD2-CD2 3.9Å; Y350-F452 HydrophobicContact CD2-CD2 3.9Å; Y350-F452 AromaticContact CD2-CE2 3.85Å; Y350-F452 HydrophobicContact CD2-CE2 3.85Å; Y350-F452 HydrophobicContact CE1-CB 3.46Å; Y350-F452 VanDerWaalsContact CE1-CB 3.46Å; Y350-F452 HydrophobicContact CE1-CD1 4.13Å; Y350-F452 AromaticContact CE1-CD2 3.6Å; Y350-F452 HydrophobicContact CE1-CD2 3.6Å; Y350-F452 HydrophobicContact CE1-CE2 4.38Å; Y350-F452 AromaticContact CE1-CG 3.46Å; Y350-F452 HydrophobicContact CE1-CG 3.46Å; Y350-F452 VanDerWaalsContact CE1-CG 3.46Å; Y350-F452 AromaticContact CE2-CD2 3.99Å; Y350-F452 HydrophobicContact CE2-CD2 3.99Å; Y350-F452 HydrophobicContact CE2-CE2 4.36Å; Y350-F452 HydrophobicContact CG-CD1 4.22Å; Y350-F452 AromaticContact CG-CD2 3.65Å; Y350-F452 HydrophobicContact CG-CD2 3.65Å; Y350-F452 HydrophobicContact CG-CE1 4.14Å; Y350-F452 AromaticContact CG-CE2 3.57Å; Y350-F452 HydrophobicContact CG-CE2 3.57Å; Y350-F452 AromaticContact CG-CG 3.99Å; Y350-F452 HydrophobicContact CG-CG 3.99Å; Y350-F452 AromaticContact CG-CZ 3.84Å; Y350-F452 HydrophobicContact CG-CZ 3.84Å; Y350-F452 AromaticContact CZ-CD2 3.81Å; Y350-F452 WeakPolarHBondContact O-CE1 3.31Å; Y353-F452 AromaticContact CD1-CD1 3.88Å; Y353-F452 HydrophobicContact CD1-CD1 3.88Å; Y353-F452 AromaticContact CD1-CE1 3.74Å; Y353-F452 HydrophobicContact CD1-CE1 3.74Å; Y353-F452 HydrophobicContact CE1-CD1 4.36Å; Y353-F452 HydrophobicContact CG-CD1 4.32Å; Y353-F452 HydrophobicContact CG-CE1 4.26Å; L354-F452 HydrophobicContact CD1-CZ 4.25Å; L354-F452 HydrophobicContact CD2-CE1 4.29Å; L354-F452 HydrophobicContact CD2-CZ 4.15Å; L354-F452 HydrophobicContact CG-CE1 4.22Å; L354-F452 HydrophobicContact CG-CZ 4Å; N449-F452 HydrophobicContact CB-CD2 3.99Å; N449-F452 HydrophobicContact CB-CE2 4.15Å; N449-F452 PolarHBondContact O-N 3.14Å; T450-F452 VanDerWaalsContact C-N 3.26Å; T450-F452 PolarHBondContact O-N 2.75Å; F452-C477 PolarHBondContact O-SG 3.01Å
453	I	91	Very high	72.7	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.01	29%	0.289	C	S	.	.	S	Bend	trans	-98.9	-40.6	-179.5	-56.4	-173.5	0	0	0	111.7	L366 T450 G455 L489 L491 F520	L366-I453 HydrophobicContact CD1-CB 3.9Å; L366-I453 HydrophobicContact CD1-CD1 4.17Å; L366-I453 HydrophobicContact CD1-CG1 4.49Å; L366-I453 HydrophobicContact CD1-CG2 4.04Å; T450-I453 PolarHBondContact O-N 2.96Å; I453-G455 PolarHBondContact O-N 3.33Å; I453-L489 HydrophobicContact CG2-CB 4.09Å; I453-L491 HydrophobicContact CD1-CD2 4.26Å; I453-L491 HydrophobicContact CG1-CD2 4.25Å; I453-F520 HydrophobicContact CD1-CD2 4.09Å; I453-F520 HydrophobicContact CD1-CE1 4.24Å; I453-F520 HydrophobicContact CD1-CE2 3.67Å; I453-F520 HydrophobicContact CD1-CZ 3.76Å; I453-F520 HydrophobicContact CG2-CB 4.41Å; I453-F520 HydrophobicContact CG2-CD2 3.65Å; I453-F520 HydrophobicContact CG2-CE2 4.14Å; I453-F520 HydrophobicContact CG2-CG 4.18Å
454	P	77.8	Confident	69.7	Low	26 Å²	26	63.9 Å²	63.9	17%	0.169	33%	0.329	C	S	.	.	S	Bend	trans	-60.2	131.9	159.9	-19.9	32.9	0	0	0	110.2	V364 T450 L489	V364-P454 HydrophobicContact CG1-CG 4.41Å; T450-P454 VanDerWaalsContact O-CD 3.27Å; T450-P454 WeakPolarHBondContact O-CD 3.26Å; P454-L489 HydrophobicContact CB-CD1 4.3Å; P454-L489 HydrophobicContact CG-CD1 4.01Å
455	G	60.8	Low	66.5	Low	20 Å²	20	71.1 Å²	71.1	21%	0.206	37%	0.368	C	S	.	.			trans	-79.9	158.9	178.5	0	0	0	0	0	112.6	I453 E457 E458	I453-G455 PolarHBondContact O-N 3.33Å; G455-E457 PolarHBondContact O-N 3.26Å; G455-E457 VanDerWaalsContact O-N 3.12Å; G455-E458 PolarHBondContact O-N 3.4Å
456	P	47.8	Very low	63.6	Low	48 Å²	48	74.4 Å²	74.4	31%	0.312	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-63.3	-17.8	-177.4	24.1	-33.8	0	0	0	114.7	E458 T459 S460	P456-E458 VanDerWaalsContact C-N 3.26Å; P456-E458 PolarHBondContact O-N 3.42Å; P456-T459 PolarHBondContact O-N 3.02Å; P456-T459 VanDerWaalsContact O-N 3.08Å; P456-S460 PolarHBondContact O-N 2.83Å; P456-S460 PolarHBondContact O-OG 3.05Å
457	E	50	Low	60.3	Low	176 Å²	176	79.9 Å²	79.9	82%	0.822	45%	0.446	S	S	*	.	G	3₁₀ helix	trans	-63.5	-28.7	176.3	-63.1	-154.5	153.7	0	0	113.3	G455	G455-E457 PolarHBondContact O-N 3.26Å; G455-E457 VanDerWaalsContact O-N 3.12Å
458	E	46.2	Very low	57	Low	94 Å²	94	86.2 Å²	86.2	44%	0.439	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-82.1	-13.9	174.2	-63	-166.5	110	0	0	113.5	G455 P456 K522	G455-E458 PolarHBondContact O-N 3.4Å; P456-E458 VanDerWaalsContact C-N 3.26Å; P456-E458 PolarHBondContact O-N 3.42Å; E458-K522 IonicContact OE1-NZ 2.66Å; E458-K522 PolarHBondContact OE1-NZ 3.25Å; E458-K522 WeakPolarHBondContact OE2-CE 3.47Å; E458-K522 IonicContact OE2-NZ 2.76Å; E458-K522 PolarHBondContact OE2-NZ 3.03Å
459	T	43.5	Very low	53.8	Low	96 Å²	96	89.5 Å²	89.5	59%	0.589	50%	0.503	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-0.6	-177	-11	0	0	0	0	113.2	P456 E461	P456-T459 PolarHBondContact O-N 3.02Å; P456-T459 VanDerWaalsContact O-N 3.08Å; T459-E461 PolarHBondContact O-N 2.87Å
460	S	36.1	Very low	51.1	Low	78 Å²	78	91.7 Å²	91.7	55%	0.545	52%	0.515	S	S	.	.			trans	-94.5	95.5	-170.5	-66	0	0	0	0	112.4	P456 K462	P456-S460 PolarHBondContact O-N 2.83Å; P456-S460 PolarHBondContact O-OG 3.05Å; S460-K462 PolarHBondContact O-N 2.84Å
461	E	34.9	Very low	48.5	Very low	183 Å²	183	98.6 Å²	98.6	86%	0.855	55%	0.548	S	S	*	.			trans	-55.5	133.8	142.9	-71.8	-166.2	156.2	0	0	107.8	T459 V463	T459-E461 PolarHBondContact O-N 2.87Å; E461-V463 PolarHBondContact O-N 3.26Å
462	K	33.1	Very low	46.3	Very low	209 Å²	209	102.2 Å²	102.2	91%	0.909	57%	0.565	S	S	*	*			trans	-64.4	107.7	-167.6	-69.9	-178.7	178.1	179.4	0	112.1	S460	S460-K462 PolarHBondContact O-N 2.84Å
463	V	31.4	Very low	44.3	Very low	136 Å²	136	103.4 Å²	103.4	82%	0.824	57%	0.571	S	S	*	*			trans	-103.4	98.9	166.1	-169.3	0	0	0	0	109.5	E461 N465	E461-V463 PolarHBondContact O-N 3.26Å; V463-N465 PolarHBondContact O-N 3.47Å
464	E	34.4	Very low	42.1	Very low	181 Å²	181	105.9 Å²	105.9	85%	0.846	59%	0.585	S	S	*	*			trans	-68.8	97.8	167.2	-72.5	-170.9	136.3	0	0	110
465	N	31.6	Very low	40.8	Very low	153 Å²	153	109.4 Å²	109.4	82%	0.818	61%	0.61	S	S	*	*			trans	-172.7	131.6	132.2	-102.5	-68.9	0	0	0	110.6	V463 S467	V463-N465 PolarHBondContact O-N 3.47Å; N465-S467 PolarHBondContact O-N 3.29Å; N465-S467 VanDerWaalsContact O-N 3.17Å
466	G	36.8	Very low	40.8	Very low	90 Å²	90	110.3 Å²	110.3	93%	0.928	61%	0.61	S	S	*	*			trans	-68.3	111.9	-177.6	0	0	0	0	0	112.6
467	S	29.2	Very low	41.6	Very low	114 Å²	114	109.3 Å²	109.3	80%	0.797	60%	0.603	S	S	*	*			trans	-120.6	134.7	165.9	-170.1	0	0	0	0	108.8	N465 C469	N465-S467 PolarHBondContact O-N 3.29Å; N465-S467 VanDerWaalsContact O-N 3.17Å; S467-C469 PolarHBondContact O-N 3.49Å; S467-C469 VanDerWaalsContact O-N 3.1Å
468	L	29.6	Very low	42.8	Very low	165 Å²	165	103.3 Å²	103.3	86%	0.864	58%	0.581	S	S	*	*			trans	-64.1	113.4	-168.2	-68.8	163.2	0	0	0	111.2	K356	K356-L468 PolarHBondContact NZ-O 3.18Å
469	C	31.8	Very low	44.1	Very low	69 Å²	69	102.8 Å²	102.8	47%	0.466	58%	0.58	S	S	.	*			trans	-67.2	155.2	169.9	66	0	0	0	0	110.8	S467 Q471 D474	S467-C469 PolarHBondContact O-N 3.49Å; S467-C469 VanDerWaalsContact O-N 3.1Å; C469-Q471 PolarHBondContact O-N 3.36Å; C469-D474 WeakPolarHBondContact CB-OD2 3.49Å; C469-D474 PolarHBondContact SG-OD2 3.39Å
470	D	40.6	Very low	45.5	Very low	47 Å²	47	100.7 Å²	100.7	25%	0.251	56%	0.564	S	S	.	*			trans	-88.8	99.2	174.2	-72.4	-70.8	0	0	0	107.1	K320 K356 E472 I473	K320-D470 WeakPolarHBondContact CD-OD1 3.4Å; K320-D470 VanDerWaalsContact CE-OD1 3.25Å; K320-D470 WeakPolarHBondContact CE-OD1 3.34Å; K320-D470 IonicContact NZ-OD1 3.18Å; K320-D470 PolarHBondContact NZ-OD1 3.03Å; K356-D470 IonicContact NZ-OD2 2.67Å; K356-D470 PolarHBondContact NZ-OD2 2.95Å; D470-E472 PolarHBondContact O-N 2.84Å; D470-I473 PolarHBondContact O-N 2.81Å
471	Q	42.2	Very low	46.7	Very low	145 Å²	145	106.5 Å²	106.5	68%	0.678	57%	0.574	S	S	*	*	H	α-helix	trans	-52.6	-14.7	-168.8	-64.5	174.2	-24	0	0	115	C469 I473 S475	C469-Q471 PolarHBondContact O-N 3.36Å; Q471-I473 VanDerWaalsContact C-N 3.32Å; Q471-I473 PolarHBondContact O-N 3.07Å; Q471-S475 WeakPolarHBondContact O-CB 3.33Å; Q471-S475 PolarHBondContact O-N 2.81Å; Q471-S475 PolarHBondContact O-OG 3.1Å
472	E	49.6	Very low	48	Very low	104 Å²	104	99.2 Å²	99.2	49%	0.486	55%	0.545	S	S	.	.	H	α-helix	trans	-71.6	-14.4	-176.7	-58.5	-171.1	126	0	0	114.9	Y349 D470 I476	Y349-E472 HydrophobicContact CE1-CB 4.18Å; Y349-E472 WeakPolarHBondContact CE1-OE2 3.31Å; Y349-E472 VanDerWaalsContact CZ-OE2 3.26Å; Y349-E472 PolarHBondContact OH-OE2 2.85Å; D470-E472 PolarHBondContact O-N 2.84Å; E472-I476 WeakPolarHBondContact O-CD1 3.36Å; E472-I476 WeakPolarHBondContact O-CG1 3.34Å
473	I	52	Low	48.9	Very low	35 Å²	35	97.4 Å²	97.4	18%	0.179	55%	0.545	C	S	.	.	H	α-helix	trans	-100.2	-50.1	169.3	-65.4	176	0	0	0	109.8	Y353 D470 Q471 S475 I476	Y353-I473 HydrophobicContact CD2-CD1 3.85Å; Y353-I473 HydrophobicContact CD2-CG2 4.37Å; Y353-I473 HydrophobicContact CE2-CG2 4.47Å; Y353-I473 HydrophobicContact CG-CD1 4.21Å; D470-I473 PolarHBondContact O-N 2.81Å; Q471-I473 VanDerWaalsContact C-N 3.32Å; Q471-I473 PolarHBondContact O-N 3.07Å; I473-S475 PolarHBondContact O-N 3Å; I473-I476 PolarHBondContact O-N 3.19Å
474	D	44.3	Very low	50.2	Low	55 Å²	55	97.4 Å²	97.4	29%	0.294	54%	0.54	S	S	.	.	H	α-helix	trans	-63.3	-25.3	-175	-50.6	-27.1	0	0	0	113.2	C469 I476	C469-D474 WeakPolarHBondContact CB-OD2 3.49Å; C469-D474 PolarHBondContact SG-OD2 3.39Å; D474-I476 VanDerWaalsContact C-N 3.3Å; D474-I476 PolarHBondContact O-N 3.26Å
475	S	50.8	Low	51.3	Low	99 Å²	99	96.7 Å²	96.7	69%	0.692	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.7	-7.1	175.4	-53.1	0	0	0	0	114.6	Q471 I473	Q471-S475 WeakPolarHBondContact O-CB 3.33Å; Q471-S475 PolarHBondContact O-N 2.81Å; Q471-S475 PolarHBondContact O-OG 3.1Å; I473-S475 PolarHBondContact O-N 3Å
476	I	59.8	Low	53.1	Low	40 Å²	40	95.4 Å²	95.4	21%	0.205	53%	0.529	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-30	-173.4	-49.2	-171.9	0	0	0	111.6	E472 I473 D474 L491 T492 L493	E472-I476 WeakPolarHBondContact O-CD1 3.36Å; E472-I476 WeakPolarHBondContact O-CG1 3.34Å; I473-I476 PolarHBondContact O-N 3.19Å; D474-I476 VanDerWaalsContact C-N 3.3Å; D474-I476 PolarHBondContact O-N 3.26Å; I476-L491 HydrophobicContact CB-CD1 4.27Å; I476-L491 HydrophobicContact CG2-CD1 3.51Å; I476-L491 HydrophobicContact CG2-CG 4.38Å; I476-T492 VanDerWaalsContact CG2-O 3.3Å; I476-T492 WeakPolarHBondContact CG2-O 3.4Å; I476-T492 PolarHBondContact O-N 3.28Å; I476-L493 HydrophobicContact CG2-CD2 4.33Å
477	C	66.6	Low	55.3	Low	27 Å²	27	95.6 Å²	95.6	18%	0.182	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	126	176.7	-64.9	0	0	0	0	110.8	F452 V490 L491	F452-C477 PolarHBondContact O-SG 3.01Å; C477-V490 WeakPolarHBondContact CA-O 3.12Å; C477-L491 WeakPolarHBondContact SG-CD1 3.45Å
478	S	73.9	Confident	58.2	Low	49 Å²	49	91.6 Å²	91.6	34%	0.343	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	149.4	179.7	58.6	0	0	0	0	111.2	V490	S478-V490 PolarHBondContact N-O 2.9Å; S478-V490 WeakPolarHBondContact O-CA 3.3Å; S478-V490 WeakPolarHBondContact O-CB 3.27Å; S478-V490 PolarHBondContact O-N 2.94Å
479	I	72.8	Confident	61.3	Low	83 Å²	83	84.4 Å²	84.4	43%	0.426	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	122.6	172.5	-61.5	179.7	0	0	0	109	E487 Y488 L489	I479-E487 HydrophobicContact CG2-CG 3.23Å; I479-Y488 WeakPolarHBondContact CA-O 3.46Å; I479-L489 HydrophobicContact CG1-CD2 4.37Å
480	E	73.9	Confident	64.2	Low	53 Å²	53	81.1 Å²	81.1	25%	0.248	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.3	174.2	-64.1	-172.3	169.7	0	0	110.5	Y488 V490 K517 Y519	E480-Y488 PolarHBondContact N-O 3.07Å; E480-Y488 PolarHBondContact O-N 2.79Å; E480-V490 HydrophobicContact CB-CG2 3.73Å; E480-V490 HydrophobicContact CG-CB 4.24Å; E480-V490 HydrophobicContact CG-CG2 3.72Å; E480-K517 IonicContact OE1-NZ 3.9Å; E480-K517 PolarHBondContact OE1-NZ 3.49Å; E480-K517 IonicContact OE2-NZ 3.95Å; E480-Y519 WeakPolarHBondContact OE2-CE1 3.42Å; E480-Y519 PolarHBondContact OE2-OH 3.02Å
481	R	62.4	Low	66.8	Low	200 Å²	200	79.3 Å²	79.3	76%	0.755	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	131.8	169.8	-66.7	-179.2	-179	167.6	2.5	110.1	E487	R481-E487 HydrophobicContact CG-CG 4.26Å; R481-E487 WeakPolarHBondContact CG-OE1 3.44Å; R481-E487 IonicContact CZ-OE1 3.95Å; R481-E487 IonicContact NE-OE1 3.55Å; R481-E487 PolarHBondContact NE-OE1 3.2Å; R481-E487 IonicContact NH2-OE1 2.77Å; R481-E487 PolarHBondContact NH2-OE1 2.76Å
482	A	60.4	Low	69.3	Low	30 Å²	30	73.4 Å²	73.4	25%	0.248	38%	0.378	C	S	.	.			trans	-91.6	161.9	170.8	0	0	0	0	0	111.8	N484 D485 K486 Y488	A482-N484 PolarHBondContact O-N 2.62Å; A482-D485 PolarHBondContact O-N 2.81Å; A482-K486 PolarHBondContact N-O 3.06Å; A482-Y488 HydrophobicContact CB-CD2 4.13Å; A482-Y488 HydrophobicContact CB-CE2 3.74Å
483	D	53.4	Low	71.6	Confident	171 Å²	171	68.5 Å²	68.5	91%	0.914	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-3.7	-176.9	-46.9	-63.6	0	0	0	115.6
484	N	57.2	Low	73.7	Confident	136 Å²	136	69.1 Å²	69.1	73%	0.727	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.6	35.2	-179	-62.2	-35.9	0	0	0	111.5	A482 K486	A482-N484 PolarHBondContact O-N 2.62Å; N484-K486 PolarHBondContact O-N 2.78Å
485	D	59.5	Low	76.3	Confident	165 Å²	165	66.9 Å²	66.9	88%	0.882	35%	0.348	S	S	*	.	S	Bend	trans	55.2	6.3	-178.1	-63.9	-42.6	0	0	0	116.9	A482 E487	A482-D485 PolarHBondContact O-N 2.81Å; D485-E487 PolarHBondContact O-N 3.22Å
486	K	68	Low	78.5	Confident	126 Å²	126	66.8 Å²	66.8	55%	0.548	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-80	120.7	176.1	-68.6	-166.3	176.6	-170.1	0	111	A482 N484	A482-K486 PolarHBondContact N-O 3.06Å; N484-K486 PolarHBondContact O-N 2.78Å
487	E	83.6	Confident	80.2	Confident	95 Å²	95	66.5 Å²	66.5	44%	0.444	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	119.7	176.5	-163.2	153.7	-110	0	0	109.7	I479 R481 D485	I479-E487 HydrophobicContact CG2-CG 3.23Å; R481-E487 HydrophobicContact CG-CG 4.26Å; R481-E487 WeakPolarHBondContact CG-OE1 3.44Å; R481-E487 IonicContact CZ-OE1 3.95Å; R481-E487 IonicContact NE-OE1 3.55Å; R481-E487 PolarHBondContact NE-OE1 3.2Å; R481-E487 IonicContact NH2-OE1 2.77Å; R481-E487 PolarHBondContact NH2-OE1 2.76Å; D485-E487 PolarHBondContact O-N 3.22Å
488	Y	90.5	Very high	81.7	Confident	30 Å²	30	65.2 Å²	65.2	12%	0.118	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	137	179.2	-70.5	-70.2	0	0	0	111.3	H369 I479 E480 A482 Y519 F520 T521	H369-Y488 HydrophobicContact CB-CE1 3.88Å; H369-Y488 AromaticContact CD2-CE1 3.76Å; H369-Y488 AromaticContact CG-CE1 3.64Å; I479-Y488 WeakPolarHBondContact CA-O 3.46Å; E480-Y488 PolarHBondContact N-O 3.07Å; E480-Y488 PolarHBondContact O-N 2.79Å; A482-Y488 HydrophobicContact CB-CD2 4.13Å; A482-Y488 HydrophobicContact CB-CE2 3.74Å; Y488-Y519 AromaticContact CD2-CD1 4Å; Y488-Y519 HydrophobicContact CD2-CD1 4Å; Y488-Y519 AromaticContact CG-CD1 3.91Å; Y488-Y519 HydrophobicContact CG-CD1 3.91Å; Y488-F520 WeakPolarHBondContact CA-O 3.34Å; Y488-T521 HydrophobicContact CD1-CG2 3.83Å; Y488-T521 HydrophobicContact CE1-CG2 4.07Å
489	L	93.2	Very high	82.8	Confident	13 Å²	13	63.1 Å²	63.1	7%	0.068	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	116.9	159.2	-56.4	176.5	0	0	0	107.7	L366 I453 P454 I479 F520 K522	L366-L489 HydrophobicContact CD2-CD1 4.24Å; I453-L489 HydrophobicContact CG2-CB 4.09Å; P454-L489 HydrophobicContact CB-CD1 4.3Å; P454-L489 HydrophobicContact CG-CD1 4.01Å; I479-L489 HydrophobicContact CG1-CD2 4.37Å; L489-F520 HydrophobicContact CB-CB 4.37Å; L489-F520 PolarHBondContact N-O 2.83Å; L489-F520 PolarHBondContact O-N 3.4Å; L489-K522 HydrophobicContact CD1-CG 4.4Å
490	V	93.5	Very high	83.9	Confident	1 Å²	1	63.1 Å²	63.1	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.5	-173.9	-173.4	0	0	0	0	111.2	C477 S478 E480 K517 L518 Y519	C477-V490 WeakPolarHBondContact CA-O 3.12Å; S478-V490 PolarHBondContact N-O 2.9Å; S478-V490 WeakPolarHBondContact O-CA 3.3Å; S478-V490 WeakPolarHBondContact O-CB 3.27Å; S478-V490 PolarHBondContact O-N 2.94Å; E480-V490 HydrophobicContact CB-CG2 3.73Å; E480-V490 HydrophobicContact CG-CB 4.24Å; E480-V490 HydrophobicContact CG-CG2 3.72Å; V490-K517 HydrophobicContact CG1-CB 4.08Å; V490-K517 HydrophobicContact CG1-CD 4.1Å; V490-K517 HydrophobicContact CG1-CG 4.35Å; V490-L518 WeakPolarHBondContact CA-O 3.47Å; V490-Y519 HydrophobicContact CB-CE1 4.48Å; V490-Y519 HydrophobicContact CG1-CD1 4.41Å; V490-Y519 HydrophobicContact CG1-CE1 4.08Å; V490-Y519 HydrophobicContact CG1-CE2 4.44Å; V490-Y519 HydrophobicContact CG2-CD1 3.52Å; V490-Y519 HydrophobicContact CG2-CE1 3.51Å; V490-Y519 HydrophobicContact CG2-CG 4.33Å
491	L	94.7	Very high	85.1	Confident	8 Å²	8	60.6 Å²	60.6	4%	0.042	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	121.9	173.9	-178.8	69.5	0	0	0	109.7	V448 I453 I476 C477 L493 L518 F520	V448-L491 HydrophobicContact CB-CD2 4.07Å; V448-L491 HydrophobicContact CG1-CD2 3.65Å; V448-L491 HydrophobicContact CG2-CD2 4.35Å; I453-L491 HydrophobicContact CD1-CD2 4.26Å; I453-L491 HydrophobicContact CG1-CD2 4.25Å; I476-L491 HydrophobicContact CB-CD1 4.27Å; I476-L491 HydrophobicContact CG2-CD1 3.51Å; I476-L491 HydrophobicContact CG2-CG 4.38Å; C477-L491 WeakPolarHBondContact SG-CD1 3.45Å; L491-L493 HydrophobicContact CD2-CD2 4.4Å; L491-L493 HydrophobicContact CG-CD2 4.25Å; L491-L518 HydrophobicContact CB-CB 4.32Å; L491-L518 HydrophobicContact CB-CD1 4.43Å; L491-L518 HydrophobicContact CD2-CD1 4.07Å; L491-L518 HydrophobicContact CG-CD1 4.39Å; L491-L518 PolarHBondContact N-O 2.78Å; L491-L518 PolarHBondContact O-N 2.9Å; L491-F520 HydrophobicContact CB-CE2 4.47Å
492	T	96	Very high	86.6	Confident	22 Å²	22	52.2 Å²	52.2	14%	0.135	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	96.2	-172.5	-59.5	0	0	0	0	112.5	I476 K515 K517	I476-T492 VanDerWaalsContact CG2-O 3.3Å; I476-T492 WeakPolarHBondContact CG2-O 3.4Å; I476-T492 PolarHBondContact O-N 3.28Å; T492-K515 HydrophobicContact CG2-CB 4.31Å; T492-K515 HydrophobicContact CG2-CD 3.53Å; T492-K517 HydrophobicContact CG2-CG 4Å
493	L	96.6	Very high	88.3	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	125.1	179.2	-57.4	-177.2	0	0	0	111.5	F446 V448 I476 L491 D497 L498 K515 V516 L518	F446-L493 HydrophobicContact CB-CD1 3.93Å; F446-L493 HydrophobicContact CD1-CD1 3.9Å; F446-L493 HydrophobicContact CD2-CD1 3.52Å; F446-L493 HydrophobicContact CE1-CD1 4.24Å; F446-L493 HydrophobicContact CE2-CD1 3.91Å; F446-L493 HydrophobicContact CG-CD1 3.5Å; F446-L493 HydrophobicContact CZ-CD1 4.24Å; V448-L493 HydrophobicContact CG1-CD1 4.24Å; I476-L493 HydrophobicContact CG2-CD2 4.33Å; L491-L493 HydrophobicContact CD2-CD2 4.4Å; L491-L493 HydrophobicContact CG-CD2 4.25Å; L493-D497 HydrophobicContact CB-CB 3.97Å; L493-D497 HydrophobicContact CD2-CB 4.19Å; L493-L498 HydrophobicContact CB-CD2 3.92Å; L493-L498 HydrophobicContact CB-CG 4.45Å; L493-L498 HydrophobicContact CD1-CD2 3.96Å; L493-K515 CarbonylContact O-C 3.51Å; L493-K515 VanDerWaalsContact O-CA 3.27Å; L493-K515 WeakPolarHBondContact O-CA 3.41Å; L493-V516 PolarHBondContact N-O 2.9Å; L493-V516 PolarHBondContact O-N 3.15Å; L493-L518 HydrophobicContact CD1-CD1 3.96Å; L493-L518 HydrophobicContact CG-CD1 4.23Å
494	T	97.6	Very high	90.3	Very high	49 Å²	49	50 Å²	50	30%	0.301	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	169.3	174.5	78.9	0	0	0	0	112	N496 D497 L498 F514 K515	T494-N496 PolarHBondContact O-N 3.24Å; T494-N496 PolarHBondContact OG1-N 2.84Å; T494-D497 WeakPolarHBondContact CA-OD2 3.49Å; T494-D497 VanDerWaalsContact CB-OD2 3.25Å; T494-D497 WeakPolarHBondContact CB-OD2 3.15Å; T494-D497 WeakPolarHBondContact CG2-OD2 3.31Å; T494-D497 PolarHBondContact N-OD2 3.06Å; T494-D497 WeakPolarHBondContact O-CB 3.4Å; T494-D497 PolarHBondContact O-N 3.45Å; T494-D497 PolarHBondContact OG1-OD2 2.79Å; T494-L498 WeakPolarHBondContact O-CG 3.31Å; T494-F514 CarbonylContact C-O 3.57Å; T494-K515 HydrophobicContact CG2-CD 4.41Å
495	K	97.7	Very high	92.1	Very high	8 Å²	8	50.3 Å²	50.3	4%	0.035	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-48.7	-34.6	171.2	-179.6	172.6	174.2	175.3	0	113.9	D497 A501 N502 D504 N507 F510 S511 F514	K495-D497 VanDerWaalsContact C-N 3.33Å; K495-A501 VanDerWaalsContact CE-O 3.3Å; K495-A501 WeakPolarHBondContact CE-O 3.49Å; K495-N502 VanDerWaalsContact O-CA 3.3Å; K495-N502 WeakPolarHBondContact O-CA 3.34Å; K495-N502 PolarHBondContact O-N 3.33Å; K495-D504 VanDerWaalsContact CE-O 3.3Å; K495-D504 WeakPolarHBondContact CE-O 3.44Å; K495-D504 PolarHBondContact NZ-O 2.79Å; K495-D504 IonicContact NZ-OD2 2.64Å; K495-D504 PolarHBondContact NZ-OD2 2.98Å; K495-N507 PolarHBondContact NZ-OD1 2.76Å; K495-F510 HydrophobicContact CD-CB 3.83Å; K495-F510 HydrophobicContact CG-CB 4.45Å; K495-F510 PolarHBondContact NZ-O 2.78Å; K495-S511 VanDerWaalsContact CD-O 3.3Å; K495-S511 WeakPolarHBondContact CD-O 3.3Å; K495-F514 HydrophobicContact CB-CB 4.32Å; K495-F514 PolarHBondContact N-O 2.9Å
496	N	96.6	Very high	93.9	Very high	96 Å²	96	45.7 Å²	45.7	51%	0.513	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-76.4	-21.2	179.5	-70	-51.7	0	0	0	112.9	P342 T494 L498 N502 K505	P342-N496 WeakPolarHBondContact CG-O 3.18Å; T494-N496 PolarHBondContact O-N 3.24Å; T494-N496 PolarHBondContact OG1-N 2.84Å; N496-L498 VanDerWaalsContact C-N 3.32Å; N496-N502 WeakPolarHBondContact O-CB 3.38Å; N496-K505 PolarHBondContact OD1-NZ 2.8Å
497	D	96.8	Very high	95.3	Very high	35 Å²	35	42.6 Å²	42.6	19%	0.187	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-82	-9	179.2	-64.9	-67	0	0	0	114.1	P342 R346 L493 T494 K495	P342-D497 VanDerWaalsContact CB-C 3.47Å; P342-D497 VanDerWaalsContact CB-O 3.28Å; P342-D497 WeakPolarHBondContact CB-O 3.43Å; R346-D497 PolarHBondContact NH2-O 2.84Å; R346-D497 IonicContact NH2-OD1 2.96Å; L493-D497 HydrophobicContact CB-CB 3.97Å; L493-D497 HydrophobicContact CD2-CB 4.19Å; T494-D497 WeakPolarHBondContact CA-OD2 3.49Å; T494-D497 VanDerWaalsContact CB-OD2 3.25Å; T494-D497 WeakPolarHBondContact CB-OD2 3.15Å; T494-D497 WeakPolarHBondContact CG2-OD2 3.31Å; T494-D497 PolarHBondContact N-OD2 3.06Å; T494-D497 WeakPolarHBondContact O-CB 3.4Å; T494-D497 PolarHBondContact O-N 3.45Å; T494-D497 PolarHBondContact OG1-OD2 2.79Å; K495-D497 VanDerWaalsContact C-N 3.33Å
498	L	97.7	Very high	95.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-105	125.5	-170.2	-62	172.5	0	0	0	110.8	F444 F446 L493 T494 N496 A501 N502 F514 V516	F444-L498 HydrophobicContact CB-CB 4.41Å; F444-L498 HydrophobicContact CD2-CB 4.1Å; F444-L498 HydrophobicContact CD2-CD1 4Å; F444-L498 HydrophobicContact CD2-CD2 3.83Å; F444-L498 HydrophobicContact CD2-CG 4.19Å; F444-L498 HydrophobicContact CE2-CD1 4.03Å; F444-L498 HydrophobicContact CE2-CD2 3.88Å; F444-L498 HydrophobicContact CE2-CG 4.47Å; F444-L498 HydrophobicContact CG-CB 4.46Å; F444-L498 HydrophobicContact CG-CD1 4.43Å; F444-L498 HydrophobicContact CZ-CD1 4.5Å; F446-L498 HydrophobicContact CB-CD2 4.1Å; F446-L498 HydrophobicContact CD1-CD2 3.48Å; F446-L498 VanDerWaalsContact CD1-CD2 3.48Å; F446-L498 HydrophobicContact CE1-CD2 4.23Å; F446-L498 HydrophobicContact CG-CD2 4.09Å; L493-L498 HydrophobicContact CB-CD2 3.92Å; L493-L498 HydrophobicContact CB-CG 4.45Å; L493-L498 HydrophobicContact CD1-CD2 3.96Å; T494-L498 WeakPolarHBondContact O-CG 3.31Å; N496-L498 VanDerWaalsContact C-N 3.32Å; L498-A501 HydrophobicContact CB-CB 3.9Å; L498-A501 PolarHBondContact O-N 3.42Å; L498-N502 WeakPolarHBondContact O-CB 3.42Å; L498-N502 PolarHBondContact O-N 2.72Å; L498-N502 PolarHBondContact O-ND2 3.39Å; L498-F514 HydrophobicContact CD1-CD1 3.92Å; L498-F514 HydrophobicContact CD1-CE1 3.55Å; L498-V516 HydrophobicContact CD1-CG2 3.76Å; L498-V516 HydrophobicContact CD2-CG2 4.45Å
499	D	96.8	Very high	96.2	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-69.1	132.6	179.9	-55.5	-40.1	0	0	0	110.4	I341 P342 S343 F444 H445 A501	I341-D499 HydrophobicContact CG2-CB 4.42Å; I341-D499 WeakPolarHBondContact CG2-OD1 3.36Å; P342-D499 WeakPolarHBondContact CD-OD1 3.04Å; S343-D499 WeakPolarHBondContact CB-OD2 3.38Å; S343-D499 PolarHBondContact N-OD1 2.81Å; S343-D499 VanDerWaalsContact OG-CG 3.31Å; S343-D499 PolarHBondContact OG-OD1 3.08Å; S343-D499 PolarHBondContact OG-OD2 3.09Å; F444-D499 CarbonylContact C-O 3.58Å; F444-D499 VanDerWaalsContact CA-O 3.26Å; F444-D499 WeakPolarHBondContact CA-O 3.48Å; F444-D499 WeakPolarHBondContact CB-O 3.42Å; H445-D499 WeakPolarHBondContact CE1-CB 3.14Å; H445-D499 PolarHBondContact N-O 2.87Å; H445-D499 VanDerWaalsContact ND1-CB 3.31Å; H445-D499 WeakPolarHBondContact ND1-CB 3.31Å; H445-D499 PolarHBondContact ND1-O 3.17Å; H445-D499 VanDerWaalsContact ND1-O 3.11Å; H445-D499 WeakPolarHBondContact O-CA 3.2Å; H445-D499 WeakPolarHBondContact O-CB 3.47Å; H445-D499 PolarHBondContact O-N 3.19Å; D499-A501 VanDerWaalsContact C-N 3.32Å; D499-A501 PolarHBondContact O-N 2.87Å
500	K	96.9	Very high	96.4	Very high	83 Å²	83	51 Å²	51	36%	0.361	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	-51.6	-163.6	-164.2	177.5	179.6	-179.8	0	114.6	K442 N502 K503	K442-K500 HydrophobicContact CG-CD 4.47Å; K442-K500 WeakPolarHBondContact O-CD 3.38Å; K442-K500 WeakPolarHBondContact O-CE 3.22Å; K442-K500 PolarHBondContact O-NZ 3.13Å; K500-N502 VanDerWaalsContact C-N 3.27Å; K500-N502 PolarHBondContact O-N 3.32Å; K500-K503 VanDerWaalsContact O-CB 3.3Å; K500-K503 WeakPolarHBondContact O-CB 3.24Å; K500-K503 PolarHBondContact O-N 3.27Å
501	A	97.1	Very high	96.6	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-61.2	-33.5	-179	0	0	0	0	0	113.5	F444 K495 L498 D499 K503 D504 F510	F444-A501 HydrophobicContact CB-CB 3.75Å; F444-A501 HydrophobicContact CG-CB 4.38Å; K495-A501 VanDerWaalsContact CE-O 3.3Å; K495-A501 WeakPolarHBondContact CE-O 3.49Å; L498-A501 HydrophobicContact CB-CB 3.9Å; L498-A501 PolarHBondContact O-N 3.42Å; D499-A501 VanDerWaalsContact C-N 3.32Å; D499-A501 PolarHBondContact O-N 2.87Å; A501-K503 PolarHBondContact O-N 3.27Å; A501-K503 VanDerWaalsContact O-N 3.14Å; A501-D504 PolarHBondContact O-N 3.01Å; A501-D504 VanDerWaalsContact O-N 3.13Å; A501-F510 HydrophobicContact CB-CD1 4.48Å; A501-F510 HydrophobicContact CB-CD2 3.83Å; A501-F510 HydrophobicContact CB-CE1 4.32Å; A501-F510 HydrophobicContact CB-CE2 3.65Å; A501-F510 HydrophobicContact CB-CG 4.25Å; A501-F510 HydrophobicContact CB-CZ 3.91Å
502	N	95.1	Very high	96.6	Very high	24 Å²	24	56 Å²	56	13%	0.128	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-59.6	-22.7	174.1	75.1	82.4	0	0	0	114	P342 K495 N496 L498 K500 K505	P342-N502 VanDerWaalsContact CD-ND2 3.28Å; P342-N502 WeakPolarHBondContact CD-ND2 3.47Å; P342-N502 HydrophobicContact CG-CB 4.03Å; P342-N502 VanDerWaalsContact CG-ND2 3.35Å; P342-N502 WeakPolarHBondContact CG-ND2 3.49Å; K495-N502 VanDerWaalsContact O-CA 3.3Å; K495-N502 WeakPolarHBondContact O-CA 3.34Å; K495-N502 PolarHBondContact O-N 3.33Å; N496-N502 WeakPolarHBondContact O-CB 3.38Å; L498-N502 WeakPolarHBondContact O-CB 3.42Å; L498-N502 PolarHBondContact O-N 2.72Å; L498-N502 PolarHBondContact O-ND2 3.39Å; K500-N502 VanDerWaalsContact C-N 3.27Å; K500-N502 PolarHBondContact O-N 3.32Å; N502-K505 WeakPolarHBondContact O-CD 3.34Å; N502-K505 WeakPolarHBondContact O-CE 3.3Å; N502-K505 PolarHBondContact O-NZ 3.18Å
503	K	95.1	Very high	96.6	Very high	137 Å²	137	60.6 Å²	60.6	60%	0.596	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-76.2	-21.4	178.8	-61.8	-175	176.3	-174.7	0	113.1	K500 A501 K505 E561	K500-K503 VanDerWaalsContact O-CB 3.3Å; K500-K503 WeakPolarHBondContact O-CB 3.24Å; K500-K503 PolarHBondContact O-N 3.27Å; A501-K503 PolarHBondContact O-N 3.27Å; A501-K503 VanDerWaalsContact O-N 3.14Å; K503-K505 PolarHBondContact O-N 3Å; K503-E561 IonicContact NZ-OE2 2.76Å
504	D	96.4	Very high	96.7	Very high	18 Å²	18	60.6 Å²	60.6	10%	0.096	30%	0.302	C	S	.	.			trans	-74.3	64.9	-177.3	175.8	34.5	0	0	0	111.6	K495 A501 A506 N507 R508 Y509 F510	K495-D504 VanDerWaalsContact CE-O 3.3Å; K495-D504 WeakPolarHBondContact CE-O 3.44Å; K495-D504 PolarHBondContact NZ-O 2.79Å; K495-D504 IonicContact NZ-OD2 2.64Å; K495-D504 PolarHBondContact NZ-OD2 2.98Å; A501-D504 PolarHBondContact O-N 3.01Å; A501-D504 VanDerWaalsContact O-N 3.13Å; D504-A506 PolarHBondContact O-N 3.13Å; D504-N507 PolarHBondContact O-N 3.14Å; D504-N507 VanDerWaalsContact O-N 3.1Å; D504-N507 PolarHBondContact OD1-N 2.75Å; D504-N507 VanDerWaalsContact OD1-N 3.16Å; D504-N507 WeakPolarHBondContact OD2-CA 3.3Å; D504-R508 PolarHBondContact OD1-N 2.73Å; D504-R508 PolarHBondContact OD2-N 2.9Å; D504-Y509 PolarHBondContact OD2-N 3.33Å; D504-F510 HydrophobicContact CB-CD2 4.28Å; D504-F510 PolarHBondContact OD2-N 3.31Å
505	K	95.1	Very high	96.6	Very high	143 Å²	143	61.5 Å²	61.5	62%	0.622	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-21.8	-178.4	-60.2	-47.5	-168.7	-164.8	0	113.1	N496 N502 K503 N507	N496-K505 PolarHBondContact OD1-NZ 2.8Å; N502-K505 WeakPolarHBondContact O-CD 3.34Å; N502-K505 WeakPolarHBondContact O-CE 3.3Å; N502-K505 PolarHBondContact O-NZ 3.18Å; K503-K505 PolarHBondContact O-N 3Å; K505-N507 VanDerWaalsContact C-N 3.29Å
506	A	97	Very high	96.6	Very high	68 Å²	68	61.1 Å²	61.1	56%	0.562	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-3.9	173.1	0	0	0	0	0	113.8	D504 R508	D504-A506 PolarHBondContact O-N 3.13Å; A506-R508 HydrophobicContact CB-CG 3.92Å; A506-R508 PolarHBondContact O-N 2.79Å
507	N	96.4	Very high	96.6	Very high	60 Å²	60	58.2 Å²	58.2	32%	0.321	28%	0.283	S	S	.	.			trans	55.7	31.5	-178.1	-52.2	-64.3	0	0	0	114.4	K495 D504 K505 F510	K495-N507 PolarHBondContact NZ-OD1 2.76Å; D504-N507 PolarHBondContact O-N 3.14Å; D504-N507 VanDerWaalsContact O-N 3.1Å; D504-N507 PolarHBondContact OD1-N 2.75Å; D504-N507 VanDerWaalsContact OD1-N 3.16Å; D504-N507 WeakPolarHBondContact OD2-CA 3.3Å; K505-N507 VanDerWaalsContact C-N 3.29Å; N507-F510 WeakPolarHBondContact CA-O 3.21Å; N507-F510 WeakPolarHBondContact CB-O 3.3Å
508	R	96.4	Very high	96.7	Very high	194 Å²	194	56.5 Å²	56.5	73%	0.732	27%	0.274	S	S	*	.	S	Bend	trans	-70.9	-32.6	-178.8	-70	179.4	179.4	179.4	1	112.3	D504 A506	D504-R508 PolarHBondContact OD1-N 2.73Å; D504-R508 PolarHBondContact OD2-N 2.9Å; A506-R508 HydrophobicContact CB-CG 3.92Å; A506-R508 PolarHBondContact O-N 2.79Å
509	Y	97.1	Very high	96.6	Very high	116 Å²	116	57.4 Å²	57.4	46%	0.455	28%	0.277	S	S	.	.	S	Bend	trans	-113.6	-28.7	-174.9	-64.8	-70.6	0	0	0	113.3	P377 M378 F379 D504	P377-Y509 CarbonylContact C-O 3.52Å; P377-Y509 WeakPolarHBondContact CA-O 3.4Å; M378-Y509 PolarHBondContact N-O 3.1Å; F379-Y509 HydrophobicContact CD1-CD1 4.08Å; F379-Y509 HydrophobicContact CD1-CE1 4.39Å; F379-Y509 HydrophobicContact CD2-CD1 4.32Å; F379-Y509 HydrophobicContact CE1-CD1 4.01Å; F379-Y509 HydrophobicContact CE1-CE1 4.46Å; F379-Y509 HydrophobicContact CE1-CG 4.45Å; F379-Y509 HydrophobicContact CE2-CD1 4.25Å; F379-Y509 HydrophobicContact CE2-CG 4.39Å; F379-Y509 HydrophobicContact CG-CD1 4.22Å; F379-Y509 HydrophobicContact CZ-CD1 4.09Å; F379-Y509 HydrophobicContact CZ-CG 4.16Å; D504-Y509 PolarHBondContact OD2-N 3.33Å
510	F	97.9	Very high	96.6	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.018	28%	0.276	C	S	.	.	S	Bend	trans	-133.3	134.9	-178.5	-54.6	-88.3	0	0	0	110.5	P377 F379 M443 F444 K495 A501 D504 N507 F514	P377-F510 HydrophobicContact CB-CD1 3.95Å; P377-F510 HydrophobicContact CB-CE1 3.88Å; P377-F510 HydrophobicContact CG-CD1 4.06Å; P377-F510 HydrophobicContact CG-CE1 4Å; F379-F510 AromaticContact CE2-CE1 3.97Å; F379-F510 HydrophobicContact CE2-CE1 3.97Å; F379-F510 AromaticContact CE2-CE2 3.99Å; F379-F510 HydrophobicContact CE2-CE2 3.99Å; F379-F510 AromaticContact CE2-CZ 3.55Å; F379-F510 HydrophobicContact CE2-CZ 3.55Å; F379-F510 AromaticContact CZ-CE2 3.91Å; F379-F510 HydrophobicContact CZ-CE2 3.91Å; F379-F510 AromaticContact CZ-CZ 3.66Å; F379-F510 HydrophobicContact CZ-CZ 3.66Å; M443-F510 HydrophobicContact CB-CZ 4.17Å; F444-F510 HydrophobicContact CB-CZ 4.41Å; F444-F510 AromaticContact CD1-CE1 3.64Å; F444-F510 HydrophobicContact CD1-CE1 3.64Å; F444-F510 AromaticContact CD1-CZ 3.79Å; F444-F510 HydrophobicContact CD1-CZ 3.79Å; F444-F510 HydrophobicContact CE1-CE1 4.1Å; K495-F510 HydrophobicContact CD-CB 3.83Å; K495-F510 HydrophobicContact CG-CB 4.45Å; K495-F510 PolarHBondContact NZ-O 2.78Å; A501-F510 HydrophobicContact CB-CD1 4.48Å; A501-F510 HydrophobicContact CB-CD2 3.83Å; A501-F510 HydrophobicContact CB-CE1 4.32Å; A501-F510 HydrophobicContact CB-CE2 3.65Å; A501-F510 HydrophobicContact CB-CG 4.25Å; A501-F510 HydrophobicContact CB-CZ 3.91Å; D504-F510 HydrophobicContact CB-CD2 4.28Å; D504-F510 PolarHBondContact OD2-N 3.31Å; N507-F510 WeakPolarHBondContact CA-O 3.21Å; N507-F510 WeakPolarHBondContact CB-O 3.3Å; F510-F514 HydrophobicContact CB-CB 4.16Å; F510-F514 HydrophobicContact CB-CD1 4.31Å; F510-F514 HydrophobicContact CB-CG 4.29Å; F510-F514 AromaticContact CD1-CD1 3.63Å; F510-F514 HydrophobicContact CD1-CD1 3.63Å; F510-F514 HydrophobicContact CD1-CD2 4.36Å; F510-F514 AromaticContact CD1-CE1 3.63Å; F510-F514 HydrophobicContact CD1-CE1 3.63Å; F510-F514 HydrophobicContact CD1-CE2 4.36Å; F510-F514 HydrophobicContact CD1-CG 4.02Å; F510-F514 HydrophobicContact CD1-CZ 4.02Å; F510-F514 HydrophobicContact CE1-CD1 4.36Å; F510-F514 AromaticContact CE1-CE1 3.91Å; F510-F514 HydrophobicContact CE1-CE1 3.91Å; F510-F514 HydrophobicContact CE1-CZ 4.17Å; F510-F514 HydrophobicContact CG-CD1 4.28Å
511	S	96.9	Very high	96.4	Very high	33 Å²	33	54.6 Å²	54.6	23%	0.231	27%	0.268	C	S	.	.			trans	-51.2	145.2	166.9	177.6	0	0	0	0	111	T375 K495 N513 F514	T375-S511 WeakPolarHBondContact OG1-CB 3.28Å; K495-S511 VanDerWaalsContact CD-O 3.3Å; K495-S511 WeakPolarHBondContact CD-O 3.3Å; S511-N513 PolarHBondContact O-N 2.72Å; S511-N513 PolarHBondContact OG-N 3.48Å; S511-F514 WeakPolarHBondContact O-CB 3.29Å; S511-F514 PolarHBondContact O-N 3.21Å
512	P	96.2	Very high	96.2	Very high	82 Å²	82	58.6 Å²	58.6	53%	0.532	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-29.2	170.6	25.2	-34.7	0	0	0	112.1	F514	P512-F514 VanDerWaalsContact C-N 3.33Å
513	N	95.4	Very high	95.7	Very high	119 Å²	119	60.8 Å²	60.8	64%	0.636	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	12.7	178.3	-61.1	-4.6	0	0	0	113.1	S511 K515	S511-N513 PolarHBondContact O-N 2.72Å; S511-N513 PolarHBondContact OG-N 3.48Å; N513-K515 PolarHBondContact O-N 2.98Å
514	F	97.8	Very high	94.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.297	C	S	.	.			trans	-63.8	123.7	176.6	178.5	-110	0	0	0	110.2	F373 T375 P377 F444 T494 K495 L498 F510 S511 P512 V516	F373-F514 HydrophobicContact CB-CE2 3.88Å; F373-F514 HydrophobicContact CD1-CE2 4.24Å; F373-F514 HydrophobicContact CD1-CZ 4.09Å; F373-F514 AromaticContact CD2-CE2 3.75Å; F373-F514 HydrophobicContact CD2-CE2 3.75Å; F373-F514 HydrophobicContact CD2-CZ 4Å; F373-F514 HydrophobicContact CE1-CZ 4.24Å; F373-F514 HydrophobicContact CE2-CE2 4.31Å; F373-F514 HydrophobicContact CE2-CZ 4.14Å; F373-F514 AromaticContact CG-CE2 3.69Å; F373-F514 HydrophobicContact CG-CE2 3.69Å; F373-F514 AromaticContact CG-CZ 3.96Å; F373-F514 HydrophobicContact CG-CZ 3.96Å; F373-F514 HydrophobicContact CZ-CZ 4.24Å; T375-F514 VanDerWaalsContact O-CD2 3.24Å; T375-F514 WeakPolarHBondContact O-CD2 3.4Å; T375-F514 WeakPolarHBondContact O-CE2 3.15Å; P377-F514 HydrophobicContact CG-CD2 4.42Å; P377-F514 HydrophobicContact CG-CE2 3.69Å; P377-F514 HydrophobicContact CG-CZ 4.02Å; F444-F514 HydrophobicContact CD1-CE1 4.32Å; F444-F514 AromaticContact CE1-CE1 3.9Å; F444-F514 HydrophobicContact CE1-CE1 3.9Å; F444-F514 AromaticContact CE1-CZ 3.76Å; F444-F514 HydrophobicContact CE1-CZ 3.76Å; F444-F514 HydrophobicContact CZ-CE1 4.21Å; F444-F514 HydrophobicContact CZ-CZ 4.07Å; T494-F514 CarbonylContact C-O 3.57Å; K495-F514 HydrophobicContact CB-CB 4.32Å; K495-F514 PolarHBondContact N-O 2.9Å; L498-F514 HydrophobicContact CD1-CD1 3.92Å; L498-F514 HydrophobicContact CD1-CE1 3.55Å; F510-F514 HydrophobicContact CB-CB 4.16Å; F510-F514 HydrophobicContact CB-CD1 4.31Å; F510-F514 HydrophobicContact CB-CG 4.29Å; F510-F514 AromaticContact CD1-CD1 3.63Å; F510-F514 HydrophobicContact CD1-CD1 3.63Å; F510-F514 HydrophobicContact CD1-CD2 4.36Å; F510-F514 AromaticContact CD1-CE1 3.63Å; F510-F514 HydrophobicContact CD1-CE1 3.63Å; F510-F514 HydrophobicContact CD1-CE2 4.36Å; F510-F514 HydrophobicContact CD1-CG 4.02Å; F510-F514 HydrophobicContact CD1-CZ 4.02Å; F510-F514 HydrophobicContact CE1-CD1 4.36Å; F510-F514 AromaticContact CE1-CE1 3.91Å; F510-F514 HydrophobicContact CE1-CE1 3.91Å; F510-F514 HydrophobicContact CE1-CZ 4.17Å; F510-F514 HydrophobicContact CG-CD1 4.28Å; S511-F514 WeakPolarHBondContact O-CB 3.29Å; S511-F514 PolarHBondContact O-N 3.21Å; P512-F514 VanDerWaalsContact C-N 3.33Å; F514-V516 HydrophobicContact CE1-CG2 3.78Å; F514-V516 HydrophobicContact CZ-CG2 3.72Å
515	K	96.9	Very high	92.5	Very high	67 Å²	67	66.7 Å²	66.7	29%	0.291	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	156.8	169	-47	-159	-153.7	83.9	0	111.2	F373 E374 T492 L493 T494 N513	F373-K515 WeakPolarHBondContact CA-O 3.39Å; E374-K515 HydrophobicContact CB-CB 4.41Å; E374-K515 HydrophobicContact CG-CB 4.11Å; E374-K515 PolarHBondContact N-O 3.39Å; E374-K515 WeakPolarHBondContact OE1-CD 3.46Å; E374-K515 IonicContact OE1-NZ 2.97Å; E374-K515 PolarHBondContact OE1-NZ 3.23Å; E374-K515 IonicContact OE2-NZ 3.97Å; E374-K515 PolarHBondContact OE2-NZ 2.92Å; T492-K515 HydrophobicContact CG2-CB 4.31Å; T492-K515 HydrophobicContact CG2-CD 3.53Å; L493-K515 CarbonylContact O-C 3.51Å; L493-K515 VanDerWaalsContact O-CA 3.27Å; L493-K515 WeakPolarHBondContact O-CA 3.41Å; T494-K515 HydrophobicContact CG2-CD 4.41Å; N513-K515 PolarHBondContact O-N 2.98Å
516	V	97.8	Very high	90.2	Very high	0 Å²	0	67 Å²	67	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	111.3	170.6	-174.4	0	0	0	0	108.2	M372 F373 F444 L493 L498 F514 L518	M372-V516 CarbonylContact O-C 3.48Å; M372-V516 WeakPolarHBondContact O-CA 3.35Å; F373-V516 HydrophobicContact CD1-CB 4.33Å; F373-V516 HydrophobicContact CD1-CG1 4.03Å; F373-V516 HydrophobicContact CD1-CG2 3.73Å; F373-V516 HydrophobicContact CE1-CB 4.5Å; F373-V516 HydrophobicContact CE1-CG1 3.99Å; F373-V516 HydrophobicContact CE1-CG2 3.76Å; F444-V516 HydrophobicContact CE2-CG2 4Å; F444-V516 HydrophobicContact CZ-CG2 3.74Å; L493-V516 PolarHBondContact N-O 2.9Å; L493-V516 PolarHBondContact O-N 3.15Å; L498-V516 HydrophobicContact CD1-CG2 3.76Å; L498-V516 HydrophobicContact CD2-CG2 4.45Å; F514-V516 HydrophobicContact CE1-CG2 3.78Å; F514-V516 HydrophobicContact CZ-CG2 3.72Å; V516-L518 HydrophobicContact CG1-CD2 3.67Å
517	K	97	Very high	87.3	Confident	35 Å²	35	69.4 Å²	69.4	15%	0.152	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	140.6	169.8	-67.4	-164.9	171.9	-172.7	0	110.4	M371 M372 E480 V490 T492 Y519	M371-K517 CarbonylContact C-O 3.52Å; M371-K517 VanDerWaalsContact CA-O 3.23Å; M371-K517 WeakPolarHBondContact CA-O 3.44Å; M372-K517 HydrophobicContact CB-CB 4.43Å; M372-K517 HydrophobicContact CE-CB 4.47Å; M372-K517 HydrophobicContact CE-CD 3.94Å; M372-K517 HydrophobicContact CE-CG 4.2Å; M372-K517 PolarHBondContact N-O 2.77Å; M372-K517 PolarHBondContact O-N 3.5Å; E480-K517 IonicContact OE1-NZ 3.9Å; E480-K517 PolarHBondContact OE1-NZ 3.49Å; E480-K517 IonicContact OE2-NZ 3.95Å; V490-K517 HydrophobicContact CG1-CB 4.08Å; V490-K517 HydrophobicContact CG1-CD 4.1Å; V490-K517 HydrophobicContact CG1-CG 4.35Å; T492-K517 HydrophobicContact CG2-CG 4Å; K517-Y519 HydrophobicContact CB-CD2 4.4Å; K517-Y519 HydrophobicContact CB-CE2 3.59Å; K517-Y519 WeakPolarHBondContact CD-OH 3.45Å
518	L	97.5	Very high	84.4	Confident	0 Å²	0	72.7 Å²	72.7	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	121.4	-175.7	-49.4	174.1	0	0	0	108.3	F368 M371 F446 V490 L491 L493 V516 F520	F368-L518 HydrophobicContact CE2-CB 4.09Å; F368-L518 HydrophobicContact CE2-CD2 4.46Å; F368-L518 HydrophobicContact CZ-CB 4.47Å; F368-L518 HydrophobicContact CZ-CD2 4.18Å; M371-L518 HydrophobicContact CB-CD2 4.07Å; M371-L518 HydrophobicContact CG-CD2 3.51Å; M371-L518 HydrophobicContact SD-CD2 3.66Å; F446-L518 HydrophobicContact CD2-CD1 4.46Å; F446-L518 HydrophobicContact CE1-CD2 4.38Å; F446-L518 HydrophobicContact CE2-CD1 3.54Å; F446-L518 HydrophobicContact CE2-CD2 4.28Å; F446-L518 HydrophobicContact CZ-CD1 3.68Å; F446-L518 HydrophobicContact CZ-CD2 3.58Å; F446-L518 HydrophobicContact CZ-CG 4.29Å; V490-L518 WeakPolarHBondContact CA-O 3.47Å; L491-L518 HydrophobicContact CB-CB 4.32Å; L491-L518 HydrophobicContact CB-CD1 4.43Å; L491-L518 HydrophobicContact CD2-CD1 4.07Å; L491-L518 HydrophobicContact CG-CD1 4.39Å; L491-L518 PolarHBondContact N-O 2.78Å; L491-L518 PolarHBondContact O-N 2.9Å; L493-L518 HydrophobicContact CD1-CD1 3.96Å; L493-L518 HydrophobicContact CG-CD1 4.23Å; V516-L518 HydrophobicContact CG1-CD2 3.67Å; L518-F520 HydrophobicContact CB-CD2 4.44Å; L518-F520 HydrophobicContact CB-CE2 3.51Å; L518-F520 HydrophobicContact CB-CZ 4.03Å
519	Y	96.2	Very high	81.3	Confident	18 Å²	18	69.1 Å²	69.1	7%	0.071	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	118.7	-168.1	-70	-97.3	0	0	0	112	H369 K370 M372 E480 Y488 V490 K517	H369-Y519 PolarHBondContact N-O 2.86Å; K370-Y519 HydrophobicContact CG-CD2 3.73Å; K370-Y519 HydrophobicContact CG-CG 3.83Å; K370-Y519 PolarHBondContact O-N 2.93Å; M372-Y519 HydrophobicContact CB-CE2 4.1Å; E480-Y519 WeakPolarHBondContact OE2-CE1 3.42Å; E480-Y519 PolarHBondContact OE2-OH 3.02Å; Y488-Y519 AromaticContact CD2-CD1 4Å; Y488-Y519 HydrophobicContact CD2-CD1 4Å; Y488-Y519 AromaticContact CG-CD1 3.91Å; Y488-Y519 HydrophobicContact CG-CD1 3.91Å; V490-Y519 HydrophobicContact CB-CE1 4.48Å; V490-Y519 HydrophobicContact CG1-CD1 4.41Å; V490-Y519 HydrophobicContact CG1-CE1 4.08Å; V490-Y519 HydrophobicContact CG1-CE2 4.44Å; V490-Y519 HydrophobicContact CG2-CD1 3.52Å; V490-Y519 HydrophobicContact CG2-CE1 3.51Å; V490-Y519 HydrophobicContact CG2-CG 4.33Å; K517-Y519 HydrophobicContact CB-CD2 4.4Å; K517-Y519 HydrophobicContact CB-CE2 3.59Å; K517-Y519 WeakPolarHBondContact CD-OH 3.45Å
520	F	95.8	Very high	78.7	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	158.9	-177.1	-54.1	-94.1	0	0	0	112.5	L366 L367 F368 V422 I426 I453 Y488 L489 L491 L518	L366-F520 HydrophobicContact CB-CB 4.4Å; L366-F520 HydrophobicContact CB-CD1 4.25Å; L366-F520 HydrophobicContact CD1-CB 4.17Å; L366-F520 HydrophobicContact CD1-CD1 4.25Å; L366-F520 HydrophobicContact CD1-CG 4.25Å; L367-F520 CarbonylContact O-C 3.51Å; L367-F520 WeakPolarHBondContact O-CA 3.46Å; F368-F520 HydrophobicContact CB-CD1 3.72Å; F368-F520 HydrophobicContact CB-CE1 3.66Å; F368-F520 AromaticContact CD1-CE1 3.91Å; F368-F520 HydrophobicContact CD1-CE1 3.91Å; F368-F520 HydrophobicContact CD1-CZ 4.43Å; F368-F520 AromaticContact CD2-CD1 3.75Å; F368-F520 HydrophobicContact CD2-CD1 3.75Å; F368-F520 AromaticContact CD2-CE1 3.34Å; F368-F520 HydrophobicContact CD2-CE1 3.34Å; F368-F520 HydrophobicContact CD2-CE2 4.32Å; F368-F520 HydrophobicContact CD2-CG 4.38Å; F368-F520 AromaticContact CD2-CZ 3.67Å; F368-F520 HydrophobicContact CD2-CZ 3.67Å; F368-F520 HydrophobicContact CE1-CE1 4.37Å; F368-F520 HydrophobicContact CE1-CZ 4.45Å; F368-F520 AromaticContact CE2-CE1 3.87Å; F368-F520 HydrophobicContact CE2-CE1 3.87Å; F368-F520 HydrophobicContact CE2-CE2 4.26Å; F368-F520 AromaticContact CE2-CZ 3.69Å; F368-F520 HydrophobicContact CE2-CZ 3.69Å; F368-F520 AromaticContact CG-CD1 3.87Å; F368-F520 HydrophobicContact CG-CD1 3.87Å; F368-F520 AromaticContact CG-CE1 3.37Å; F368-F520 HydrophobicContact CG-CE1 3.37Å; F368-F520 HydrophobicContact CG-CZ 4.07Å; F368-F520 HydrophobicContact CZ-CE1 4.34Å; F368-F520 HydrophobicContact CZ-CZ 4.08Å; V422-F520 HydrophobicContact CG2-CD1 4.19Å; V422-F520 HydrophobicContact CG2-CE1 4.05Å; I426-F520 HydrophobicContact CD1-CE1 4.33Å; I426-F520 HydrophobicContact CD1-CZ 4.45Å; I453-F520 HydrophobicContact CD1-CD2 4.09Å; I453-F520 HydrophobicContact CD1-CE1 4.24Å; I453-F520 HydrophobicContact CD1-CE2 3.67Å; I453-F520 HydrophobicContact CD1-CZ 3.76Å; I453-F520 HydrophobicContact CG2-CB 4.41Å; I453-F520 HydrophobicContact CG2-CD2 3.65Å; I453-F520 HydrophobicContact CG2-CE2 4.14Å; I453-F520 HydrophobicContact CG2-CG 4.18Å; Y488-F520 WeakPolarHBondContact CA-O 3.34Å; L489-F520 HydrophobicContact CB-CB 4.37Å; L489-F520 PolarHBondContact N-O 2.83Å; L489-F520 PolarHBondContact O-N 3.4Å; L491-F520 HydrophobicContact CB-CE2 4.47Å; L518-F520 HydrophobicContact CB-CD2 4.44Å; L518-F520 HydrophobicContact CB-CE2 3.51Å; L518-F520 HydrophobicContact CB-CZ 4.03Å
521	T	94.1	Very high	75.8	Confident	29 Å²	29	77.3 Å²	77.3	18%	0.178	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	161.9	159.5	65.3	0	0	0	0	109.6	L366 L367 H369 Y488	L366-T521 WeakPolarHBondContact CA-O 3.35Å; L367-T521 PolarHBondContact N-O 2.62Å; L367-T521 PolarHBondContact O-N 2.93Å; H369-T521 WeakPolarHBondContact NE2-CG2 3.33Å; H369-T521 PolarHBondContact NE2-OG1 3Å; Y488-T521 HydrophobicContact CD1-CG2 3.83Å; Y488-T521 HydrophobicContact CE1-CG2 4.07Å
522	K	91.3	Very high	72.8	Confident	84 Å²	84	80.3 Å²	80.3	37%	0.365	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	155.5	166.7	-66.3	174.1	174.8	171.3	0	110.5	L366 E458 L489 V524	L366-K522 HydrophobicContact CD2-CG 4.39Å; E458-K522 IonicContact OE1-NZ 2.66Å; E458-K522 PolarHBondContact OE1-NZ 3.25Å; E458-K522 WeakPolarHBondContact OE2-CE 3.47Å; E458-K522 IonicContact OE2-NZ 2.76Å; E458-K522 PolarHBondContact OE2-NZ 3.03Å; L489-K522 HydrophobicContact CD1-CG 4.4Å; K522-V524 WeakPolarHBondContact CB-O 3.44Å
523	T	85.6	Confident	69.8	Low	69 Å²	69	82 Å²	82	42%	0.423	47%	0.465	S	S	.	.	S	Bend	trans	-84.7	-12.6	169	51.4	0	0	0	0	113.1	A365 L367	A365-T523 HydrophobicContact CB-CG2 3.96Å; A365-T523 PolarHBondContact O-OG1 3.22Å; L367-T523 HydrophobicContact CD2-CG2 3.97Å; L367-T523 HydrophobicContact CG-CG2 3.95Å
524	V	70.3	Confident	67.1	Low	92 Å²	92	81.9 Å²	81.9	56%	0.558	47%	0.474	S	S	*	.	S	Bend	trans	-135.7	130.7	-179.8	-166.9	0	0	0	0	108.1	K522 E526	K522-V524 WeakPolarHBondContact CB-O 3.44Å; V524-E526 PolarHBondContact O-N 3.25Å
525	E	54.7	Low	64	Low	188 Å²	188	86.9 Å²	86.9	88%	0.879	51%	0.509	S	S	*	.			trans	-79.6	105.7	158.6	-69.8	172.6	-169.6	0	0	106.5	P527	E525-P527 WeakPolarHBondContact O-CD 3.29Å
526	E	45.7	Very low	60.9	Low	150 Å²	150	89.5 Å²	89.5	70%	0.701	53%	0.531	S	S	*	.			trans	-69.1	119.5	171.7	-74.6	-172.5	171.7	0	0	108.2	V524 S528	V524-E526 PolarHBondContact O-N 3.25Å; E526-S528 PolarHBondContact O-N 2.84Å
527	P	37.2	Very low	57.7	Low	117 Å²	117	95.2 Å²	95.2	76%	0.76	57%	0.57	S	S	*	*			trans	-67.9	129.2	-178.7	27.7	-33.8	0	0	0	109.8	E525 N529	E525-P527 WeakPolarHBondContact O-CD 3.29Å; P527-N529 PolarHBondContact O-N 3.16Å
528	S	35.4	Very low	54.5	Low	129 Å²	129	99.8 Å²	99.8	90%	0.902	60%	0.601	S	S	*	*	S	Bend	trans	-77.1	56.3	-173.2	45.9	0	0	0	0	113.8	E526	E526-S528 PolarHBondContact O-N 2.84Å
529	N	30.3	Very low	51.5	Low	119 Å²	119	105.6 Å²	105.6	64%	0.636	64%	0.637	S	S	*	*			trans	-149.7	113.2	172	-165.5	42.9	0	0	0	112.9	P527 E531	P527-N529 PolarHBondContact O-N 3.16Å; N529-E531 PolarHBondContact O-N 2.64Å; N529-E531 VanDerWaalsContact O-N 3.17Å
530	P	42.1	Very low	48.5	Very low	131 Å²	131	110.2 Å²	110.2	85%	0.851	67%	0.669	S	S	*	*			trans	-90	53.9	-174.5	37.5	-37	0	0	0	113.7
531	E	36.8	Very low	45.2	Very low	161 Å²	161	117.8 Å²	117.8	75%	0.752	71%	0.709	S	S	*	*			trans	-132.5	131	170.1	-73.3	-158.6	146.5	0	0	112.5	N529	N529-E531 PolarHBondContact O-N 2.64Å; N529-E531 VanDerWaalsContact O-N 3.17Å
532	A	34.3	Very low	42.4	Very low	96 Å²	96	122.3 Å²	122.3	79%	0.793	74%	0.737	S	S	*	*			trans	50.8	116	172.6	0	0	0	0	0	116.5
533	S	33.9	Very low	39.6	Very low	117 Å²	117	122.8 Å²	122.8	82%	0.818	75%	0.751	S	S	*	*				-168.9	154.3	60.2	-63.5	0	0	0	0	112.7
534	S	37.8	Very low	37.2	Very low	117 Å²	117	127.2 Å²	127.2	82%	0.818	77%	0.772	S	S	*	*			trans	-90.5	127.6	169.4	57.3	0	0	0	0	112.3
535	S	33.9	Very low	35.4	Very low	106 Å²	106	130 Å²	130	74%	0.741	78%	0.784	S	S	*	*			trans	-171.1	142.9	146.4	49	0	0	0	0	114.6
536	T	30.3	Very low	34.7	Very low	121 Å²	121	130.1 Å²	130.1	74%	0.742	78%	0.784	S	S	*	*			trans	47.1	99.4	150.6	52.4	0	0	0	0	119.5
537	S	31.7	Very low	34.2	Very low	120 Å²	120	128.8 Å²	128.8	84%	0.839	79%	0.788	S	S	*	*			trans	-63.2	129	151.5	52.2	0	0	0	0	111.2
538	V	30.5	Very low	33.9	Very low	131 Å²	131	130.2 Å²	130.2	79%	0.794	79%	0.79	S	S	*	*			trans	-120.7	109.7	168.5	-178.9	0	0	0	0	108.4
539	T	33.9	Very low	33.8	Very low	123 Å²	123	133.2 Å²	133.2	76%	0.755	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-82.2	126.7	173.8	46.5	0	0	0	0	110	D541	T539-D541 PolarHBondContact O-N 2.97Å
540	P	33.4	Very low	33.7	Very low	115 Å²	115	137.9 Å²	137.9	75%	0.747	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-70.2	121.2	165.4	29.5	-31.1	0	0	0	108.9
541	D	27	Very low	33.3	Very low	158 Å²	158	143.4 Å²	143.4	85%	0.845	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-70	136	173.7	-166.2	2.6	0	0	0	109.9	T539	T539-D541 PolarHBondContact O-N 2.97Å
542	V	35.1	Very low	32.8	Very low	125 Å²	125	146 Å²	146	76%	0.758	81%	0.808	S	S	*	*			trans	-129.9	94.3	-178	-176.9	0	0	0	0	108.1
543	S	32.2	Very low	32.6	Very low	94 Å²	94	145.1 Å²	145.1	66%	0.657	80%	0.795	S	S	*	*			trans	-56.9	141.2	-179.8	57.3	0	0	0	0	113.2
544	D	34.8	Very low	32.3	Very low	161 Å²	161	146.2 Å²	146.2	86%	0.861	79%	0.792	S	S	*	*			trans	-50.7	140.8	175.1	-66.4	-66.1	0	0	0	113.8
545	N	32.2	Very low	31.9	Very low	151 Å²	151	146.7 Å²	146.7	81%	0.807	79%	0.791	S	S	*	*			trans	-149	122.3	160.6	-102.9	-53.5	0	0	0	108.2
546	E	39.8	Very low	31.9	Very low	191 Å²	191	146.5 Å²	146.5	89%	0.893	79%	0.785	S	S	*	*			trans	-69.1	138	177.3	-71	-162.6	120.6	0	0	111.8	D548	E546-D548 PolarHBondContact O-N 3.27Å
547	P	36	Very low	31.7	Very low	121 Å²	121	146.7 Å²	146.7	79%	0.786	78%	0.781	S	S	*	*			trans	-85.1	105.4	171.8	32.3	-31.5	0	0	0	111.3
548	D	30	Very low	31.7	Very low	147 Å²	147	145.5 Å²	145.5	79%	0.786	77%	0.773	S	S	*	*			trans	-52.9	145.2	179.7	-126.7	-36.3	0	0	0	114.3	E546 Y550	E546-D548 PolarHBondContact O-N 3.27Å; D548-Y550 PolarHBondContact O-N 2.87Å
549	H	33.7	Very low	31.6	Very low	192 Å²	192	145 Å²	145	89%	0.889	77%	0.766	S	S	*	*			trans	-74.6	74.7	-171.1	-89.6	-25.2	0	0	0	114.6	R551	H549-R551 PolarHBondContact O-N 3.49Å; H549-R551 VanDerWaalsContact O-N 3.15Å
550	Y	29.3	Very low	31.7	Very low	217 Å²	217	144.7 Å²	144.7	85%	0.851	77%	0.766	S	S	*	*			trans	-80.7	91.8	168.3	-92	-84	0	0	0	113.2	D548 Y552	D548-Y550 PolarHBondContact O-N 2.87Å; Y550-Y552 PolarHBondContact O-N 3.32Å
551	R	33.2	Very low	31.6	Very low	247 Å²	247	145.3 Å²	145.3	93%	0.932	76%	0.759	S	S	*	*			trans	-58.3	121.6	158.3	-92.8	-176.6	165.9	126.4	-4.7	109.7	H549	H549-R551 PolarHBondContact O-N 3.49Å; H549-R551 VanDerWaalsContact O-N 3.15Å
552	Y	27	Very low	31.8	Very low	216 Å²	216	143.8 Å²	143.8	85%	0.847	75%	0.751	S	S	*	*			trans	-114.2	148.6	155	-159.9	-94.9	0	0	0	110	Y550	Y550-Y552 PolarHBondContact O-N 3.32Å
553	S	29.3	Very low	31.8	Very low	77 Å²	77	146.3 Å²	146.3	54%	0.538	75%	0.754	S	S	.	*			trans	-74.5	142.8	-165.8	52.6	0	0	0	0	114.2	T555	S553-T555 PolarHBondContact O-N 2.98Å
554	D	28.2	Very low	31.8	Very low	140 Å²	140	147.3 Å²	147.3	75%	0.749	76%	0.759	S	S	*	*			trans	-51.5	130.6	165.9	-96.2	-51.3	0	0	0	112.5
555	T	29	Very low	31.6	Very low	128 Å²	128	148.8 Å²	148.8	79%	0.785	76%	0.758	S	S	*	*			trans	-133.5	72.5	153.6	61.2	0	0	0	0	108.5	S553 D557	S553-T555 PolarHBondContact O-N 2.98Å; T555-D557 PolarHBondContact O-N 3.16Å
556	T	32.9	Very low	31.6	Very low	101 Å²	101	148.9 Å²	148.9	62%	0.62	76%	0.758	S	S	*	*			trans	-69.4	77.8	171.1	53.8	0	0	0	0	110.4	S558	T556-S558 PolarHBondContact O-N 2.83Å; T556-S558 VanDerWaalsContact O-N 3.07Å; T556-S558 PolarHBondContact O-OG 2.94Å
557	D	27	Very low	31.2	Very low	125 Å²	125	148.6 Å²	148.6	67%	0.668	76%	0.757	S	S	*	*			trans	-60.3	114.2	170.7	-161	4.6	0	0	0	107.7	K439 T555 D559	K439-D557 IonicContact NZ-OD2 3.42Å; T555-D557 PolarHBondContact O-N 3.16Å; D557-D559 PolarHBondContact O-N 3.25Å
558	S	31.5	Very low	31	Very low	95 Å²	95	149.9 Å²	149.9	66%	0.664	76%	0.757	S	S	*	*			trans	-98.5	67.3	-162.8	-67.2	0	0	0	0	110.1	T556 P560	T556-S558 PolarHBondContact O-N 2.83Å; T556-S558 VanDerWaalsContact O-N 3.07Å; T556-S558 PolarHBondContact O-OG 2.94Å; S558-P560 WeakPolarHBondContact O-CD 3.33Å; S558-P560 VanDerWaalsContact O-N 3.09Å
559	D	29	Very low	31.1	Very low	122 Å²	122	151.2 Å²	151.2	65%	0.652	76%	0.758	S	S	*	*			trans	-46.5	110.2	-177.2	-94.3	-30.5	0	0	0	112.1	D557 E561	D557-D559 PolarHBondContact O-N 3.25Å; D559-E561 PolarHBondContact O-N 3.39Å
560	P	35.3	Very low	31.1	Very low	115 Å²	115	150.7 Å²	150.7	75%	0.747	76%	0.756	S	S	*	*			trans	-99.2	64	178	37	-26.6	0	0	0	109.6	S558 N562	S558-P560 WeakPolarHBondContact O-CD 3.33Å; S558-P560 VanDerWaalsContact O-N 3.09Å; P560-N562 PolarHBondContact O-N 3.02Å
561	E	32.2	Very low	31.3	Very low	129 Å²	129	147.2 Å²	147.2	60%	0.603	76%	0.758	S	S	*	*			trans	-68.5	74.1	170.3	-72.9	-170.4	155.3	0	0	110.3	K503 D559	K503-E561 IonicContact NZ-OE2 2.76Å; D559-E561 PolarHBondContact O-N 3.39Å
562	N	31.3	Very low	31.4	Very low	125 Å²	125	144.3 Å²	144.3	67%	0.668	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-80.3	130	151.5	-87.5	-9.4	0	0	0	108	P560	P560-N562 PolarHBondContact O-N 3.02Å
563	E	35.2	Very low	31.7	Very low	179 Å²	179	142.3 Å²	142.3	84%	0.836	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-63.1	131.3	167.5	-55	-73.7	173.1	0	0	108.9
564	P	32.1	Very low	32.2	Very low	115 Å²	115	144.8 Å²	144.8	75%	0.747	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-69.6	139.3	161.5	30.9	-32	0	0	0	109
565	F	29.7	Very low	32.4	Very low	192 Å²	192	147.3 Å²	147.3	84%	0.842	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-96.1	134.3	175.1	-168	-91.1	0	0	0	109.1	E567	F565-E567 PolarHBondContact O-N 3.21Å
566	D	32.1	Very low	32.5	Very low	152 Å²	152	151.7 Å²	151.7	81%	0.813	80%	0.8	S	S	*	*			trans	-74.1	104.7	-179.6	-65.1	-56.2	0	0	0	110.9
567	E	31.7	Very low	32.5	Very low	185 Å²	185	154.3 Å²	154.3	86%	0.864	81%	0.809	S	S	*	*			trans	-98	86.8	164.4	-79.7	-161.9	128.9	0	0	110.3	F565	F565-E567 PolarHBondContact O-N 3.21Å
568	D	31.7	Very low	32.8	Very low	148 Å²	148	155.8 Å²	155.8	79%	0.791	82%	0.816	S	S	*	*			trans	-146.5	54.9	174.7	-135	-16.5	0	0	0	113.5
569	Q	32.9	Very low	32.8	Very low	175 Å²	175	159.2 Å²	159.2	82%	0.818	82%	0.824	S	S	*	*			trans	-168.3	101.6	159.9	-114	151.7	97.5	0	0	113.4
570	H	32.7	Very low	33.1	Very low	181 Å²	181	161.4 Å²	161.4	84%	0.838	83%	0.834	S	S	*	*				163.8	88.7	129.6	-87.4	-55.1	0	0	0	112.6
571	T	33.1	Very low	32.9	Very low	145 Å²	145	164.3 Å²	164.3	89%	0.89	84%	0.84	S	S	*	*			trans	-135.7	59	171.6	43.5	0	0	0	0	112.4
572	Q	34.9	Very low	33	Very low	185 Å²	185	166.6 Å²	166.6	86%	0.864	86%	0.856	S	S	*	*			trans	-137.3	88.7	165.3	-73.7	-164	4.7	0	0	112.4
573	I	34.2	Very low	33.1	Very low	175 Å²	175	169.6 Å²	169.6	90%	0.897	87%	0.869	S	S	*	*			trans	-133.1	104.9	146.1	-61.4	-176.2	0	0	0	106.6
574	T	39.6	Very low	32.9	Very low	129 Å²	129	168.8 Å²	168.8	79%	0.791	87%	0.872	S	S	*	*			trans	-77	155.3	174.9	-45.6	0	0	0	0	109.8
575	K	32.1	Very low	33	Very low	192 Å²	192	173.3 Å²	173.3	84%	0.835	88%	0.882	S	S	*	*			trans	-73.3	160.2	169.6	-72.3	-179.4	176	177.8	0	111.7
576	V	31.6	Very low	33.3	Very low	221 Å²	221	171.6 Å²	171.6	100%	1.339	89%	0.886	S	S	*	*			trans	88.1	0	-179.1	-171.5	0	0	0	0	112.5

Retrieved 576 of 576 residues in 2271.4 ms (Link to these results)

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