A0A093IA88_STRCA Loading...

Extracellular matrix protein 2

AlphaFold DB , UniProt , Accession A0A093IA88, Species STRCA (Struthio camelus australis), Gene n/a, Length 713 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	37.3	Very low	39.4	Very low	233 Å²	233	158 Å²	158	100%	1.148	81%	0.814	S	S	*	*				0	90	0	-58.1	166.7	-178.7	0	0	107.9
2	Q	38.8	Very low	39.2	Very low	196 Å²	196	157.6 Å²	157.6	92%	0.916	81%	0.813	S	S	*	*			cis	58	67.3	7.9	-72.7	179.5	-30	0	0	115.3
3	A	41	Very low	39.2	Very low	80 Å²	80	153.8 Å²	153.8	66%	0.661	80%	0.801	S	S	*	*			trans	-165.3	175.3	144.2	0	0	0	0	0	108	S5	A3-S5 PolarHBondContact O-N 3.01Å
4	T	41.9	Very low	38.8	Very low	139 Å²	139	150.4 Å²	150.4	85%	0.853	80%	0.797	S	S	*	*	S	Bend	trans	56.9	39.9	161.5	69.9	0	0	0	0	119.1
5	S	41	Very low	38.4	Very low	117 Å²	117	151.9 Å²	151.9	82%	0.818	80%	0.804	S	S	*	*	S	Bend	trans	-138.7	33.8	167.3	-150.4	0	0	0	0	113.7	A3	A3-S5 PolarHBondContact O-N 3.01Å
6	S	40.1	Very low	38.2	Very low	98 Å²	98	149.4 Å²	149.4	69%	0.685	80%	0.801	S	S	*	*	S	Bend	trans	-142.5	9.4	-174	-46.6	0	0	0	0	115.1
7	I	43.5	Very low	37.7	Very low	133 Å²	133	148.1 Å²	148.1	68%	0.682	80%	0.8	S	S	*	*	S	Bend	trans	-100.5	-27.5	-177.2	-65.7	175	0	0	0	111.9
8	Y	39.2	Very low	37	Very low	211 Å²	211	147.4 Å²	147.4	83%	0.827	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84	-6.3	-177.2	-107.1	-87.8	0	0	0	115.6
9	Y	38.3	Very low	36.4	Very low	200 Å²	200	149.4 Å²	149.4	78%	0.784	80%	0.796	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.4	-4.3	-178.3	-135.8	-92.7	0	0	0	114.3
10	F	35.7	Very low	36.1	Very low	177 Å²	177	151 Å²	151	78%	0.776	80%	0.796	S	S	*	*	S	Bend	trans	-102.1	-4.3	179.8	-107	-81.1	0	0	0	114.6
11	L	35.9	Very low	35.6	Very low	154 Å²	154	152.1 Å²	152.1	81%	0.806	80%	0.797	S	S	*	*	S	Bend	trans	-99.7	6.3	179.8	-86.6	165.6	0	0	0	114.3
12	L	38.1	Very low	35	Very low	153 Å²	153	148.5 Å²	148.5	80%	0.801	78%	0.783	S	S	*	*	S	Bend	trans	-122.6	8.3	-172.4	-98.9	167	0	0	0	115.3
13	V	38.6	Very low	34.4	Very low	108 Å²	108	147.9 Å²	147.9	66%	0.655	78%	0.78	S	S	*	*	S	Bend	trans	-119.9	-21.8	-174.3	-175.4	0	0	0	0	113.6	L15	V13-L15 PolarHBondContact O-N 2.76Å
14	S	33.1	Very low	33.7	Very low	106 Å²	106	150.3 Å²	150.3	74%	0.741	79%	0.786	S	S	*	*	S	Bend	trans	-95.2	35.2	-172.7	-50	0	0	0	0	115.3
15	L	34.1	Very low	32.8	Very low	173 Å²	173	149.8 Å²	149.8	91%	0.906	79%	0.789	S	S	*	*	S	Bend	trans	-129.4	30.7	176.6	-90.4	175.1	0	0	0	113.4	V13	V13-L15 PolarHBondContact O-N 2.76Å
16	C	35.2	Very low	32.1	Very low	112 Å²	112	148.3 Å²	148.3	76%	0.757	78%	0.783	S	S	*	*	S	Bend	trans	-141.8	147.7	165.5	-84.1	0	0	0	0	109.8
17	V	29	Very low	31.4	Very low	128 Å²	128	149.4 Å²	149.4	78%	0.776	79%	0.786	S	S	*	*			trans	80.8	133.4	-179.9	-171.7	0	0	0	0	114.7
18	D	24.8	Very low	30.6	Very low	136 Å²	136	150.7 Å²	150.7	73%	0.727	79%	0.793	S	S	*	*			trans	64.3	131.5	172.1	-59.9	-14.2	0	0	0	121.1
19	F	26.8	Very low	29.8	Very low	184 Å²	184	152.5 Å²	152.5	81%	0.807	80%	0.799	S	S	*	*			cis	-158.8	177.1	-23.5	-150.3	-106.3	0	0	0	111.2
20	F	29.5	Very low	29.6	Very low	182 Å²	182	154.6 Å²	154.6	80%	0.798	81%	0.805	S	S	*	*			trans	-62.9	132	164.6	-94	-124	0	0	0	111.7
21	Q	26.2	Very low	29	Very low	175 Å²	175	154.9 Å²	154.9	82%	0.818	81%	0.809	S	S	*	*				174.4	136	120.4	-96.2	170.8	5.1	0	0	114.4
22	N	23.7	Very low	28.7	Very low	157 Å²	157	158.3 Å²	158.3	84%	0.84	81%	0.811	S	S	*	*			trans	61.8	150.4	156.5	-66.5	7.4	0	0	0	122.8
23	E	27	Very low	28.1	Very low	183 Å²	183	162.7 Å²	162.7	86%	0.855	82%	0.817	S	S	*	*			trans	-84.5	171.1	172.9	-53.8	164.1	119.8	0	0	109.3
24	T	26.3	Very low	27.5	Very low	131 Å²	131	168.6 Å²	168.6	80%	0.804	83%	0.828	S	S	*	*			cis	-158.9	-177.1	40.1	47.4	0	0	0	0	112.7
25	S	22.9	Very low	27.1	Very low	128 Å²	128	170.6 Å²	170.6	90%	0.895	83%	0.827	S	S	*	*			trans	89.2	158.7	174.7	-152	0	0	0	0	116.8
26	A	26.3	Very low	26.6	Very low	86 Å²	86	170.6 Å²	170.6	71%	0.711	82%	0.822	S	S	*	*			trans	-122.4	171.5	-153.7	0	0	0	0	0	112.4
27	T	26.2	Very low	26.3	Very low	121 Å²	121	175.2 Å²	175.2	74%	0.742	83%	0.825	S	S	*	*			cis	-151.8	-177.5	31	55.1	0	0	0	0	113.5
28	L	26.1	Very low	26.2	Very low	159 Å²	159	180.5 Å²	180.5	83%	0.832	83%	0.831	S	S	*	*			trans	68.3	88.6	153.1	-82.2	160.2	0	0	0	120.2
29	R	22.7	Very low	26.3	Very low	249 Å²	249	177.6 Å²	177.6	94%	0.94	83%	0.833	S	S	*	*				-161.6	150.7	124.4	-109.9	165.5	-172.9	-168.6	1.4	113	Q31	R29-Q31 PolarHBondContact O-N 2.94Å
30	R	32.4	Very low	26.3	Very low	244 Å²	244	177.6 Å²	177.6	92%	0.921	84%	0.841	S	S	*	*			trans	-54.7	126.2	179.6	-75.9	175	164.9	170.5	-7.5	111.5
31	Q	24	Very low	26.2	Very low	184 Å²	184	180.3 Å²	180.3	86%	0.86	85%	0.846	S	S	*	*			trans	-129.7	133.9	163.4	-90.6	-161.5	-2.2	0	0	112.7	R29 R33	R29-Q31 PolarHBondContact O-N 2.94Å; Q31-R33 PolarHBondContact O-N 3.03Å
32	R	30.2	Very low	26.2	Very low	226 Å²	226	182 Å²	182	85%	0.853	85%	0.85	S	S	*	*			trans	-64.2	110.4	173.3	-71.5	168.9	160.3	176.2	-11.6	110.5	R34	R32-R34 PolarHBondContact O-N 2.99Å; R32-R34 VanDerWaalsContact O-N 3.15Å
33	R	24.9	Very low	26.3	Very low	245 Å²	245	180.4 Å²	180.4	93%	0.925	85%	0.851	S	S	*	*			trans	-74.3	101.2	170.1	-75.6	-173.9	173.3	179.2	-0.7	110.6	Q31 M35	Q31-R33 PolarHBondContact O-N 3.03Å; R33-M35 PolarHBondContact O-N 2.85Å
34	R	26.7	Very low	26.1	Very low	232 Å²	232	177.2 Å²	177.2	88%	0.875	85%	0.85	S	S	*	*			trans	-63.7	114.7	164.3	-77.5	179.1	167.4	171.8	-4.3	109.1	R32 H36	R32-R34 PolarHBondContact O-N 2.99Å; R32-R34 VanDerWaalsContact O-N 3.15Å; R34-H36 PolarHBondContact O-N 3.08Å
35	M	24.3	Very low	26.1	Very low	147 Å²	147	176.8 Å²	176.8	72%	0.724	85%	0.852	S	S	*	*			trans	-70.1	121.5	169.5	-82.5	-174.1	-97.9	0	0	110.4	R33 Y37	R33-M35 PolarHBondContact O-N 2.85Å; M35-Y37 HydrophobicContact CB-CD2 4.49Å; M35-Y37 HydrophobicContact CB-CE2 4.34Å; M35-Y37 HydrophobicContact SD-CE2 4.03Å
36	H	24.4	Very low	26.2	Very low	174 Å²	174	180.2 Å²	180.2	81%	0.806	85%	0.854	S	S	*	*			trans	-103.7	101.6	166.4	-97.1	16.8	0	0	0	109.3	R34 R38	R34-H36 PolarHBondContact O-N 3.08Å; H36-R38 PolarHBondContact O-N 2.84Å
37	Y	28.3	Very low	26.2	Very low	209 Å²	209	179.4 Å²	179.4	82%	0.82	85%	0.853	S	S	*	*			trans	-74.2	107.6	168	-83.2	-85.4	0	0	0	109.7	M35 G39	M35-Y37 HydrophobicContact CB-CD2 4.49Å; M35-Y37 HydrophobicContact CB-CE2 4.34Å; M35-Y37 HydrophobicContact SD-CE2 4.03Å; Y37-G39 PolarHBondContact O-N 3.4Å
38	R	26.8	Very low	26.2	Very low	239 Å²	239	186.2 Å²	186.2	90%	0.902	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-67.6	126.4	167.8	-81.7	-179.4	166.4	174.5	-3.2	109	H36 L40	H36-R38 PolarHBondContact O-N 2.84Å; R38-L40 PolarHBondContact O-N 2.9Å
39	G	26.4	Very low	26.2	Very low	75 Å²	75	190.4 Å²	190.4	77%	0.773	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-65.2	130.5	-179.8	0	0	0	0	0	112.9	Y37	Y37-G39 PolarHBondContact O-N 3.4Å
40	L	27.8	Very low	26.4	Very low	183 Å²	183	184 Å²	184	96%	0.958	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-70	134	170.3	-84.5	160.5	0	0	0	110.5	R38	R38-L40 PolarHBondContact O-N 2.9Å
41	R	26.4	Very low	26.2	Very low	240 Å²	240	179.2 Å²	179.2	91%	0.906	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-76.9	152.8	178.7	-81.6	180	166.3	178.1	-4.7	111.4
42	K	26.3	Very low	26.3	Very low	209 Å²	209	180.8 Å²	180.8	91%	0.909	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-53.4	137.5	166	-62.5	176.9	177.9	179.7	0	110.9
43	S	24.9	Very low	26.3	Very low	124 Å²	124	178.2 Å²	178.2	87%	0.867	85%	0.847	S	S	*	*			trans	-107.4	158.2	145.1	57	0	0	0	0	108.8
44	S	24.1	Very low	26.8	Very low	117 Å²	117	171.4 Å²	171.4	82%	0.818	84%	0.835	S	S	*	*			trans	-131.8	136	-172.1	52.5	0	0	0	0	111.3
45	S	25.6	Very low	26.8	Very low	121 Å²	121	171 Å²	171	85%	0.846	83%	0.833	S	S	*	*			trans	-145.3	130.5	163.6	48.6	0	0	0	0	111.5
46	E	25.9	Very low	26.8	Very low	201 Å²	201	171.9 Å²	171.9	94%	0.939	84%	0.837	S	S	*	*			trans	-76.9	156.6	159	-53.7	173.4	127.8	0	0	107.7
47	G	26.2	Very low	26.9	Very low	68 Å²	68	172.7 Å²	172.7	70%	0.701	84%	0.839	S	S	*	*			cis	149.7	150.7	2.1	0	0	0	0	0	109.4
48	R	26.6	Very low	27.7	Very low	265 Å²	265	168.2 Å²	168.2	100%	1	84%	0.835	S	S	*	*			trans	-159.7	149.4	169.1	-112.4	165.7	-166.5	-157.7	1.9	112.9
49	R	24.9	Very low	28.3	Very low	246 Å²	246	162.7 Å²	162.7	93%	0.928	83%	0.83	S	S	*	*			trans	-108.7	143.6	-177.4	-78.1	171.7	157.4	174.6	-6.3	112.2
50	S	27.1	Very low	28.5	Very low	114 Å²	114	163.5 Å²	163.5	80%	0.797	83%	0.83	S	S	*	*			trans	-168.8	104.8	137.9	-143.4	0	0	0	0	108.9
51	Q	28.1	Very low	29	Very low	145 Å²	145	160.8 Å²	160.8	68%	0.678	82%	0.823	S	S	*	*				74.6	113.6	87.8	-74.6	-152.6	33.7	0	0	117.6
52	R	26.9	Very low	29	Very low	217 Å²	217	155.3 Å²	155.3	82%	0.819	82%	0.816	S	S	*	*			trans	66.4	156.7	142.4	-65.2	174.3	173.9	176.2	-2.9	119.4
53	Q	29	Very low	29	Very low	171 Å²	171	151.2 Å²	151.2	80%	0.799	81%	0.809	S	S	*	*			cis	-161.6	-162.9	-38.2	-139.2	-176	0.5	0	0	108.4
54	P	37.1	Very low	29.1	Very low	102 Å²	102	151.7 Å²	151.7	66%	0.662	81%	0.806	S	S	*	*				-125.9	-173	-123.5	45.2	-28.4	0	0	0	118.6
55	R	25.8	Very low	29.4	Very low	224 Å²	224	153.3 Å²	153.3	85%	0.845	80%	0.804	S	S	*	*			trans	109.3	140.1	136.6	-108.4	-175.2	-178.3	-170.8	0.9	122.1
56	M	24.7	Very low	29.8	Very low	165 Å²	165	153.4 Å²	153.4	81%	0.813	80%	0.802	S	S	*	*			trans	99.8	155.2	145.1	-71.7	172.2	76.7	0	0	123.4
57	K	26.4	Very low	29.8	Very low	191 Å²	191	148.4 Å²	148.4	83%	0.83	79%	0.789	S	S	*	*			trans	-166.4	172.7	-168.8	-110.7	-166.6	-179.9	-171.8	0	107.3
58	P	45	Very low	29.9	Very low	115 Å²	115	151.9 Å²	151.9	75%	0.747	79%	0.79	S	S	*	*			cis	-111	-108.2	-23.1	32	-9.8	0	0	0	109.2
59	P	39.4	Very low	30.1	Very low	123 Å²	123	145.4 Å²	145.4	80%	0.799	78%	0.782	S	S	*	*			cis	-114.6	-155.6	-7	44.3	-29.7	0	0	0	113.7
60	A	29.6	Very low	30	Very low	93 Å²	93	140.7 Å²	140.7	77%	0.769	78%	0.775	S	S	*	*			trans	-156.3	163.2	177.6	0	0	0	0	0	113.5
61	P	38.7	Very low	30	Very low	126 Å²	126	143.3 Å²	143.3	82%	0.818	78%	0.778	S	S	*	*			trans	-140.6	-167.8	153.8	39.7	-23.6	0	0	0	113.6
62	V	27.3	Very low	29.8	Very low	124 Å²	124	142.9 Å²	142.9	75%	0.752	78%	0.78	S	S	*	*				-163.2	131.8	-78.5	136.2	0	0	0	0	111.9
63	T	25.9	Very low	29.9	Very low	124 Å²	124	140.3 Å²	140.3	76%	0.761	78%	0.781	S	S	*	*			trans	51.2	145.1	161	55.9	0	0	0	0	123.9
64	V	27.7	Very low	29.6	Very low	133 Å²	133	138.6 Å²	138.6	81%	0.806	78%	0.778	S	S	*	*				170.5	153.4	110.9	156.7	0	0	0	0	111.6
65	I	29.3	Very low	29.1	Very low	151 Å²	151	142.1 Å²	142.1	77%	0.774	79%	0.791	S	S	*	*			trans	-127	151	177.8	-55.6	161	0	0	0	109.7
66	P	33.5	Very low	29	Very low	123 Å²	123	134.7 Å²	134.7	80%	0.799	78%	0.784	S	S	*	*			trans	-137.3	179.6	137.6	36.7	-22.5	0	0	0	114.2
67	S	26.2	Very low	29.1	Very low	97 Å²	97	133.3 Å²	133.3	68%	0.678	78%	0.784	S	S	*	*			trans	-151.1	139	-150.7	56.1	0	0	0	0	117
68	I	29.3	Very low	28.9	Very low	141 Å²	141	132.6 Å²	132.6	72%	0.723	79%	0.786	S	S	*	*			trans	60.4	142.6	152.1	-42.7	156.9	0	0	0	118.1	L70	I68-L70 HydrophobicContact CG2-CD1 4.03Å; I68-L70 HydrophobicContact CG2-CG 4.39Å
69	P	29.3	Very low	28	Very low	128 Å²	128	130.7 Å²	130.7	83%	0.831	79%	0.787	S	S	*	*				-136.9	167.1	106.9	35.4	-21.7	0	0	0	114.4
70	L	24.4	Very low	27.4	Very low	147 Å²	147	131.2 Å²	131.2	77%	0.77	79%	0.788	S	S	*	*			trans	-100	171.2	179.3	-55.9	92.1	0	0	0	112.9	I68	I68-L70 HydrophobicContact CG2-CD1 4.03Å; I68-L70 HydrophobicContact CG2-CG 4.39Å
71	I	26.5	Very low	27.1	Very low	170 Å²	170	135.3 Å²	135.3	87%	0.872	79%	0.789	S	S	*	*			trans	-157.4	146.2	150.1	-100.2	152	0	0	0	109.7
72	N	23.6	Very low	26.4	Very low	135 Å²	135	135.2 Å²	135.2	72%	0.722	78%	0.782	S	S	*	*			trans	-98.4	167.5	173.9	-76.8	5.8	0	0	0	111.9
73	I	28.4	Very low	26.3	Very low	164 Å²	164	135.3 Å²	135.3	84%	0.841	79%	0.788	S	S	*	*			trans	-174.5	158	131.2	-96.2	153.6	0	0	0	110.4
74	D	24.4	Very low	26.2	Very low	135 Å²	135	136.1 Å²	136.1	72%	0.722	79%	0.786	S	S	*	*			trans	-95.3	-178.9	-162.7	-50.3	-88.3	0	0	0	116.9
75	D	25.7	Very low	26.3	Very low	175 Å²	175	137.3 Å²	137.3	94%	0.936	79%	0.787	S	S	*	*			trans	71.7	148.4	160.9	-84.3	-30.7	0	0	0	121.5
76	G	24.3	Very low	26.1	Very low	68 Å²	68	133.4 Å²	133.4	70%	0.701	78%	0.784	S	S	*	*			trans	138.7	41.6	154.1	0	0	0	0	0	122.8
77	V	25.2	Very low	25.8	Very low	136 Å²	136	136.2 Å²	136.2	82%	0.824	79%	0.791	S	S	*	*			trans	37.2	115.5	143.3	177.3	0	0	0	0	120.4
78	M	24.1	Very low	25.7	Very low	177 Å²	177	135.7 Å²	135.7	87%	0.872	80%	0.801	S	S	*	*			trans	61.4	93.7	149	-66.1	-75.6	-71.6	0	0	121.7
79	G	25.7	Very low	25.5	Very low	74 Å²	74	132.6 Å²	132.6	76%	0.763	80%	0.803	S	S	*	*				89.7	166.6	103.7	0	0	0	0	0	122.3
80	V	26.6	Very low	25.5	Very low	134 Å²	134	136.1 Å²	136.1	81%	0.812	81%	0.808	S	S	*	*			trans	80.2	98.6	165.5	-169.9	0	0	0	0	119.1
81	F	23	Very low	25.5	Very low	179 Å²	179	138.4 Å²	138.4	79%	0.785	82%	0.815	S	S	*	*			trans	48.2	129.7	140	-78.4	-92	0	0	0	123.8
82	D	24.2	Very low	25.4	Very low	125 Å²	125	135.9 Å²	135.9	67%	0.668	81%	0.813	S	S	*	*			trans	51.6	113	143.3	-62.8	-1.3	0	0	0	121.4
83	S	24.1	Very low	25.3	Very low	126 Å²	126	135 Å²	135	88%	0.881	82%	0.817	S	S	*	*			trans	-143.1	134.4	130.6	-78.6	0	0	0	0	110.3
84	L	25	Very low	25.1	Very low	140 Å²	140	137.6 Å²	137.6	73%	0.733	82%	0.818	S	S	*	*			trans	-77.2	142.6	-168.1	-95.2	64.8	0	0	0	113.7
85	I	30.1	Very low	25.6	Very low	159 Å²	159	136.4 Å²	136.4	82%	0.815	82%	0.82	S	S	*	*			trans	44.3	119.9	133.8	-53.9	174.1	0	0	0	117.6
86	G	24.4	Very low	25.7	Very low	69 Å²	69	134.6 Å²	134.6	71%	0.711	82%	0.815	S	S	*	*			trans	-161.4	55.5	173.6	0	0	0	0	0	116.7
87	L	27	Very low	25.8	Very low	182 Å²	182	139.1 Å²	139.1	95%	0.953	82%	0.822	S	S	*	*	S	Bend	trans	163.5	133.8	135.5	-89.8	163.6	0	0	0	113.6
88	G	25.5	Very low	26.7	Very low	86 Å²	86	138.2 Å²	138.2	89%	0.887	82%	0.819	S	S	*	*			trans	107	97.2	156.1	0	0	0	0	0	117
89	G	24.7	Very low	28.3	Very low	75 Å²	75	133.1 Å²	133.1	77%	0.773	81%	0.812	S	S	*	*			trans	154.1	115.9	170	0	0	0	0	0	112.2	E91	G89-E91 PolarHBondContact O-N 2.83Å
90	H	28.2	Very low	29	Very low	202 Å²	202	138.7 Å²	138.7	94%	0.935	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-71	122.7	179.6	-81.4	-104.5	0	0	0	111.8
91	E	23.9	Very low	30.3	Very low	196 Å²	196	140.5 Å²	140.5	92%	0.916	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-92.1	122.6	157.8	-72.2	-164.1	141.4	0	0	110.6	G89	G89-E91 PolarHBondContact O-N 2.83Å
92	S	24.8	Very low	31.9	Very low	117 Å²	117	132.5 Å²	132.5	82%	0.818	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-84.5	119.7	167.2	53.9	0	0	0	0	109.8	Y94	S92-Y94 PolarHBondContact O-N 3.07Å
93	S	21.6	Very low	33.3	Very low	115 Å²	115	130.7 Å²	130.7	80%	0.804	77%	0.77	S	S	*	*			trans	-67.9	112.6	-176.7	-175.8	0	0	0	0	113
94	Y	24.3	Very low	35.3	Very low	220 Å²	220	124.9 Å²	124.9	86%	0.863	73%	0.729	S	S	*	*			trans	-145.9	131.9	138.4	-117.8	-78.4	0	0	0	110	S92	S92-Y94 PolarHBondContact O-N 3.07Å
95	S	35.7	Very low	36.7	Very low	109 Å²	109	122.8 Å²	122.8	76%	0.762	72%	0.723	S	S	*	*			trans	-92.9	135.1	-176.1	46.5	0	0	0	0	112.1
96	V	26.7	Very low	38	Very low	137 Å²	137	116 Å²	116	83%	0.83	69%	0.69	S	S	*	*			trans	-133.9	122.2	174.3	-179	0	0	0	0	109.9
97	L	28.1	Very low	39.4	Very low	164 Å²	164	117.9 Å²	117.9	86%	0.859	68%	0.684	S	S	*	*			trans	-87.4	159.7	173.8	-82.7	168.8	0	0	0	111.2
98	P	42.1	Very low	40.6	Very low	117 Å²	117	112.7 Å²	112.7	76%	0.76	68%	0.675	S	S	*	*			trans	-89.9	149.5	-143.1	32.6	-38.1	0	0	0	117
99	G	57.8	Low	41.3	Very low	70 Å²	70	113.6 Å²	113.6	72%	0.722	66%	0.657	S	S	*	*			trans	74.1	110.9	132.9	0	0	0	0	0	119.1
100	K	40.4	Very low	42.6	Very low	190 Å²	190	115.1 Å²	115.1	83%	0.826	65%	0.646	S	S	*	*			trans	-135.9	156.4	156.5	-74.4	-168.2	177.4	178.4	0	111.3
101	Q	54.9	Low	43.8	Very low	173 Å²	173	106.3 Å²	106.3	81%	0.808	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.5	125.2	-164.8	-64.9	172.7	-23.6	0	0	112.5	K129	Q101-K129 WeakPolarHBondContact CA-O 3.06Å
102	G	56.2	Low	45.1	Very low	11 Å²	11	97.7 Å²	97.7	11%	0.113	57%	0.565	C	S	.	*	T	Hydrogen-bonded Turn	trans	131.9	-10.8	167.8	0	0	0	0	0	115.8	Y112 D113 K129 G130	G102-Y112 CarbonylContact O-C 3.58Å; G102-D113 PolarHBondContact O-N 3.47Å; G102-K129 VanDerWaalsContact N-C 3.32Å; G102-G130 VanDerWaalsContact N-N 3.16Å
103	H	54.2	Low	46.6	Very low	86 Å²	86	95 Å²	95	40%	0.398	54%	0.541	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	143.1	-168.3	-53.5	-81.8	0	0	0	111.8	M111 Y112 C127 G130	H103-M111 CarbonylContact C-O 3.13Å; H103-M111 VanDerWaalsContact CA-O 3.3Å; H103-M111 WeakPolarHBondContact CA-O 3.39Å; H103-Y112 AromaticContact CE1-CD1 3.58Å; H103-Y112 AromaticContact CE1-CE1 3.87Å; H103-Y112 AromaticContact ND1-CD1 3.25Å; H103-Y112 WeakPolarHBondContact ND1-CD1 3.43Å; H103-Y112 AromaticContact ND1-CE1 3.5Å; H103-Y112 WeakPolarHBondContact ND1-CE1 3.26Å; H103-C127 VanDerWaalsContact C-SG 3.58Å; H103-G130 VanDerWaalsContact O-CA 3.3Å; H103-G130 WeakPolarHBondContact O-CA 3.3Å
104	C	65.9	Low	48	Very low	4 Å²	4	97.7 Å²	97.7	3%	0.027	54%	0.538	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	151.7	-168.1	-36.1	0	0	0	0	112.9	I110 M111 W117 C127 S128 K131 V132	C104-I110 CarbonylContact O-C 3.55Å; C104-I110 WeakPolarHBondContact O-CA 3.05Å; C104-M111 PolarHBondContact N-O 3.31Å; C104-M111 PolarHBondContact O-N 2.92Å; C104-W117 HydrophobicContact CB-CH2 4.48Å; C104-C127 HydrophobicContact CB-CB 3.47Å; C104-C127 VanDerWaalsContact CB-CB 3.47Å; C104-C127 WeakPolarHBondContact CB-SG 3.39Å; C104-C127 PolarHBondContact N-SG 3.5Å; C104-C127 WeakPolarHBondContact SG-CA 3.4Å; C104-C127 WeakPolarHBondContact SG-CB 3.22Å; C104-C127 CovalentContact SG-SG 2.03Å; C104-C127 PolarHBondContact SG-SG 2.95Å; C104-S128 PolarHBondContact SG-N 2.94Å; C104-K131 PolarHBondContact SG-N 3Å; C104-K131 VanDerWaalsContact SG-N 3.44Å; C104-K131 PolarHBondContact SG-O 2.83Å; C104-V132 HydrophobicContact CB-CB 4.38Å; C104-V132 HydrophobicContact CB-CG2 3.57Å
105	T	54.1	Low	49.2	Very low	97 Å²	97	87.8 Å²	87.8	60%	0.595	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.4	115.5	-166.1	22.9	0	0	0	0	113.4	M109 I110 V132	T105-M109 WeakPolarHBondContact CA-O 3.04Å; T105-I110 HydrophobicContact CG2-CB 4.46Å; T105-I110 HydrophobicContact CG2-CD1 4.44Å; T105-I110 HydrophobicContact CG2-CG1 3.78Å; T105-I110 HydrophobicContact CG2-CG2 4.49Å; T105-V132 VanDerWaalsContact N-CG2 3.28Å; T105-V132 VanDerWaalsContact O-CG2 3.29Å; T105-V132 WeakPolarHBondContact O-CG2 3.23Å
106	A	56.7	Low	50.1	Low	15 Å²	15	86.8 Å²	86.8	12%	0.124	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	140.7	167.8	0	0	0	0	0	111.7	G108 M109 W117 V132	A106-G108 PolarHBondContact O-N 2.81Å; A106-G108 VanDerWaalsContact O-N 3.14Å; A106-M109 PolarHBondContact N-O 3.34Å; A106-M109 VanDerWaalsContact N-O 3.11Å; A106-M109 WeakPolarHBondContact O-CB 3.46Å; A106-M109 PolarHBondContact O-N 3.13Å; A106-W117 HydrophobicContact CB-CZ2 3.55Å; A106-V132 HydrophobicContact CB-CG1 4.17Å; A106-V132 HydrophobicContact CB-CG2 4.41Å
107	N	55.4	Low	51.7	Low	109 Å²	109	81.4 Å²	81.4	58%	0.583	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.4	40.7	-175	-65.4	16.2	0	0	0	113.3	M109 P119	N107-M109 PolarHBondContact O-N 2.03Å; N107-P119 HydrophobicContact CB-CB 4.09Å
108	G	51	Low	53.1	Low	74 Å²	74	77 Å²	77	76%	0.763	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-13.2	-178.2	0	0	0	0	0	115.7	A106	A106-G108 PolarHBondContact O-N 2.81Å; A106-G108 VanDerWaalsContact O-N 3.14Å
109	M	40.4	Very low	54	Low	105 Å²	105	72.9 Å²	72.9	52%	0.517	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134.3	-179.5	-56.2	-178.5	-172.4	0	0	110.8	T105 A106 N107	T105-M109 WeakPolarHBondContact CA-O 3.04Å; A106-M109 PolarHBondContact N-O 3.34Å; A106-M109 VanDerWaalsContact N-O 3.11Å; A106-M109 WeakPolarHBondContact O-CB 3.46Å; A106-M109 PolarHBondContact O-N 3.13Å; N107-M109 PolarHBondContact O-N 2.03Å
110	I	52.3	Low	54.4	Low	106 Å²	106	74.7 Å²	74.7	54%	0.544	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.8	-179.9	-47.3	-176.9	0	0	0	109.8	C104 T105	C104-I110 CarbonylContact O-C 3.55Å; C104-I110 WeakPolarHBondContact O-CA 3.05Å; T105-I110 HydrophobicContact CG2-CB 4.46Å; T105-I110 HydrophobicContact CG2-CD1 4.44Å; T105-I110 HydrophobicContact CG2-CG1 3.78Å; T105-I110 HydrophobicContact CG2-CG2 4.49Å
111	M	54.1	Low	55.2	Low	18 Å²	18	69.4 Å²	69.4	9%	0.089	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	153.7	-165.6	-56	-68.7	-61	0	0	111.6	H103 C104 A115 W117 C127 Y556	H103-M111 CarbonylContact C-O 3.13Å; H103-M111 VanDerWaalsContact CA-O 3.3Å; H103-M111 WeakPolarHBondContact CA-O 3.39Å; C104-M111 PolarHBondContact N-O 3.31Å; C104-M111 PolarHBondContact O-N 2.92Å; M111-A115 HydrophobicContact CB-CB 4.38Å; M111-A115 HydrophobicContact CE-CB 3.95Å; M111-W117 HydrophobicContact CB-CD2 4.43Å; M111-W117 HydrophobicContact CB-CE3 3.92Å; M111-W117 HydrophobicContact CB-CH2 3.78Å; M111-W117 HydrophobicContact CB-CZ2 4.29Å; M111-W117 HydrophobicContact CB-CZ3 3.58Å; M111-W117 HydrophobicContact CE-CB 3.59Å; M111-W117 HydrophobicContact CE-CD2 3.71Å; M111-W117 HydrophobicContact CE-CE3 3.51Å; M111-W117 HydrophobicContact CE-CG 3.78Å; M111-W117 HydrophobicContact CE-CZ3 4.32Å; M111-W117 HydrophobicContact CG-CD2 3.49Å; M111-W117 VanDerWaalsContact CG-CD2 3.49Å; M111-W117 HydrophobicContact CG-CE3 3.47Å; M111-W117 VanDerWaalsContact CG-CE3 3.47Å; M111-W117 HydrophobicContact CG-CG 4.17Å; M111-W117 HydrophobicContact CG-CH2 3.62Å; M111-W117 HydrophobicContact CG-CZ2 3.62Å; M111-W117 HydrophobicContact CG-CZ3 3.54Å; M111-W117 HydrophobicContact SD-CB 4.22Å; M111-W117 HydrophobicContact SD-CD2 3.91Å; M111-W117 HydrophobicContact SD-CE3 4.12Å; M111-W117 HydrophobicContact SD-CG 3.97Å; M111-C127 HydrophobicContact CB-CB 3.89Å; M111-C127 PolarHBondContact O-SG 3.17Å; M111-Y556 WeakPolarHBondContact CA-OH 3.43Å; M111-Y556 WeakPolarHBondContact CE-OH 3.35Å; M111-Y556 PolarHBondContact SD-OH 3.33Å
112	Y	50.6	Low	55.5	Low	15 Å²	15	63 Å²	63	6%	0.059	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	159.9	-174.9	-60.5	-48	0	0	0	114.8	G102 H103 K114 A115 C127 P531 L532 I535 Y556	G102-Y112 CarbonylContact O-C 3.58Å; H103-Y112 AromaticContact CE1-CD1 3.58Å; H103-Y112 AromaticContact CE1-CE1 3.87Å; H103-Y112 AromaticContact ND1-CD1 3.25Å; H103-Y112 WeakPolarHBondContact ND1-CD1 3.43Å; H103-Y112 AromaticContact ND1-CE1 3.5Å; H103-Y112 WeakPolarHBondContact ND1-CE1 3.26Å; Y112-K114 PolarHBondContact O-N 3.05Å; Y112-A115 WeakPolarHBondContact O-CA 3.42Å; Y112-A115 WeakPolarHBondContact O-CB 3.1Å; Y112-A115 PolarHBondContact O-N 3.19Å; Y112-C127 WeakPolarHBondContact O-CB 3.5Å; Y112-C127 PolarHBondContact O-SG 2.86Å; Y112-C127 VanDerWaalsContact O-SG 3.39Å; Y112-P531 HydrophobicContact CE2-CB 3.87Å; Y112-P531 WeakPolarHBondContact CE2-O 3.32Å; Y112-P531 WeakPolarHBondContact OH-CA 3.31Å; Y112-P531 WeakPolarHBondContact OH-CB 3.08Å; Y112-P531 WeakPolarHBondContact OH-CD 3.23Å; Y112-P531 WeakPolarHBondContact OH-CG 3.44Å; Y112-L532 HydrophobicContact CD1-CD2 3.49Å; Y112-L532 VanDerWaalsContact CD1-CD2 3.49Å; Y112-L532 HydrophobicContact CD1-CG 4.15Å; Y112-L532 HydrophobicContact CD2-CD2 4.14Å; Y112-L532 HydrophobicContact CE1-CD1 4.18Å; Y112-L532 HydrophobicContact CE1-CD2 3.29Å; Y112-L532 HydrophobicContact CE1-CG 3.43Å; Y112-L532 VanDerWaalsContact CE1-CG 3.43Å; Y112-L532 HydrophobicContact CE2-CD2 3.93Å; Y112-L532 HydrophobicContact CE2-CG 4.32Å; Y112-L532 HydrophobicContact CG-CD2 3.96Å; Y112-L532 PolarHBondContact OH-N 3.34Å; Y112-L532 VanDerWaalsContact OH-N 3.08Å; Y112-I535 HydrophobicContact CD2-CD1 4.18Å; Y112-Y556 AromaticContact CD2-CD1 3.49Å; Y112-Y556 HydrophobicContact CD2-CD1 3.49Å; Y112-Y556 VanDerWaalsContact CD2-CD1 3.49Å; Y112-Y556 AromaticContact CD2-CD2 3.93Å; Y112-Y556 HydrophobicContact CD2-CD2 3.93Å; Y112-Y556 AromaticContact CD2-CE1 3.48Å; Y112-Y556 HydrophobicContact CD2-CE1 3.48Å; Y112-Y556 VanDerWaalsContact CD2-CE1 3.48Å; Y112-Y556 AromaticContact CD2-CE2 3.9Å; Y112-Y556 HydrophobicContact CD2-CE2 3.9Å; Y112-Y556 AromaticContact CD2-CG 3.66Å; Y112-Y556 HydrophobicContact CD2-CG 3.66Å; Y112-Y556 AromaticContact CD2-CZ 3.63Å; Y112-Y556 AromaticContact CE2-CD1 3.93Å; Y112-Y556 HydrophobicContact CE2-CD1 3.93Å; Y112-Y556 AromaticContact CE2-CD2 3.49Å; Y112-Y556 HydrophobicContact CE2-CD2 3.49Å; Y112-Y556 VanDerWaalsContact CE2-CD2 3.49Å; Y112-Y556 HydrophobicContact CE2-CE1 4.08Å; Y112-Y556 AromaticContact CE2-CE2 3.65Å; Y112-Y556 HydrophobicContact CE2-CE2 3.65Å; Y112-Y556 AromaticContact CE2-CG 3.58Å; Y112-Y556 HydrophobicContact CE2-CG 3.58Å; Y112-Y556 AromaticContact CE2-CZ 3.89Å; Y112-Y556 HydrophobicContact CG-CE1 4.39Å
113	D	56.4	Low	56.3	Low	59 Å²	59	64.1 Å²	64.1	32%	0.316	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	117.2	170.3	-166.5	65.9	0	0	0	110.2	G102 K129	G102-D113 PolarHBondContact O-N 3.47Å; D113-K129 WeakPolarHBondContact OD1-CG 3.49Å; D113-K129 PolarHBondContact OD1-N 2.87Å
114	K	51.1	Low	56.5	Low	172 Å²	172	63 Å²	63	75%	0.748	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.4	12.6	-174.7	-46.8	173.2	-169.3	178.5	0	116.4	Y112 C127	Y112-K114 PolarHBondContact O-N 3.05Å; K114-C127 PolarHBondContact N-O 3.45Å
115	A	50.2	Low	56.8	Low	13 Å²	13	62.8 Å²	62.8	11%	0.107	36%	0.362	C	S	.	.			trans	-86.8	144.6	170.4	0	0	0	0	0	111.9	M111 Y112 L126 C127 Y556	M111-A115 HydrophobicContact CB-CB 4.38Å; M111-A115 HydrophobicContact CE-CB 3.95Å; Y112-A115 WeakPolarHBondContact O-CA 3.42Å; Y112-A115 WeakPolarHBondContact O-CB 3.1Å; Y112-A115 PolarHBondContact O-N 3.19Å; A115-L126 WeakPolarHBondContact O-CA 3.29Å; A115-C127 PolarHBondContact O-N 2.88Å; A115-Y556 HydrophobicContact CB-CE1 3.64Å
116	V	53.5	Low	57	Low	87 Å²	87	61.4 Å²	61.4	53%	0.527	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	142.1	-174.5	-178.6	0	0	0	0	110.3	T124 C125 L126	V116-T124 HydrophobicContact CG1-CG2 3.68Å; V116-C125 CarbonylContact C-O 3.59Å; V116-C125 VanDerWaalsContact CA-O 3.22Å; V116-C125 WeakPolarHBondContact CA-O 3.39Å; V116-C125 WeakPolarHBondContact CG1-O 3.32Å; V116-L126 HydrophobicContact CG2-CB 4.33Å; V116-L126 HydrophobicContact CG2-CD1 3.89Å
117	W	60.2	Low	57.6	Low	24 Å²	24	60.7 Å²	60.7	9%	0.091	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	157.4	176.9	69.2	121.7	0	0	0	111.1	C104 A106 M111 C125 C127 V132	C104-W117 HydrophobicContact CB-CH2 4.48Å; A106-W117 HydrophobicContact CB-CZ2 3.55Å; M111-W117 HydrophobicContact CB-CD2 4.43Å; M111-W117 HydrophobicContact CB-CE3 3.92Å; M111-W117 HydrophobicContact CB-CH2 3.78Å; M111-W117 HydrophobicContact CB-CZ2 4.29Å; M111-W117 HydrophobicContact CB-CZ3 3.58Å; M111-W117 HydrophobicContact CE-CB 3.59Å; M111-W117 HydrophobicContact CE-CD2 3.71Å; M111-W117 HydrophobicContact CE-CE3 3.51Å; M111-W117 HydrophobicContact CE-CG 3.78Å; M111-W117 HydrophobicContact CE-CZ3 4.32Å; M111-W117 HydrophobicContact CG-CD2 3.49Å; M111-W117 VanDerWaalsContact CG-CD2 3.49Å; M111-W117 HydrophobicContact CG-CE3 3.47Å; M111-W117 VanDerWaalsContact CG-CE3 3.47Å; M111-W117 HydrophobicContact CG-CG 4.17Å; M111-W117 HydrophobicContact CG-CH2 3.62Å; M111-W117 HydrophobicContact CG-CZ2 3.62Å; M111-W117 HydrophobicContact CG-CZ3 3.54Å; M111-W117 HydrophobicContact SD-CB 4.22Å; M111-W117 HydrophobicContact SD-CD2 3.91Å; M111-W117 HydrophobicContact SD-CE3 4.12Å; M111-W117 HydrophobicContact SD-CG 3.97Å; W117-C125 HydrophobicContact CD2-CB 3.62Å; W117-C125 HydrophobicContact CE3-CB 3.65Å; W117-C125 HydrophobicContact CG-CB 4.45Å; W117-C125 HydrophobicContact CH2-CB 3.67Å; W117-C125 HydrophobicContact CZ2-CB 3.62Å; W117-C125 HydrophobicContact CZ3-CB 3.68Å; W117-C125 WeakPolarHBondContact CZ3-O 3.46Å; W117-C125 PolarHBondContact N-O 3.27Å; W117-C125 PolarHBondContact O-N 2.92Å; W117-C127 HydrophobicContact CH2-CB 4.3Å; W117-C127 HydrophobicContact CZ3-CB 3.97Å; W117-V132 HydrophobicContact CH2-CB 4.46Å; W117-V132 HydrophobicContact CH2-CG1 3.81Å; W117-V132 HydrophobicContact CH2-CG2 4.12Å; W117-V132 HydrophobicContact CZ2-CG1 4.05Å; W117-V132 HydrophobicContact CZ2-CG2 4.35Å
118	S	56.9	Low	58.1	Low	73 Å²	73	57.5 Å²	57.5	51%	0.51	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	101.1	177.6	-53.6	0	0	0	0	109.7	E120 I123 T124	S118-E120 VanDerWaalsContact C-N 3.33Å; S118-I123 WeakPolarHBondContact CA-O 3.39Å; S118-I123 VanDerWaalsContact CB-O 3.23Å; S118-I123 WeakPolarHBondContact CB-O 3.44Å; S118-T124 PolarHBondContact OG-OG1 3.18Å
119	P	62.8	Low	58.7	Low	30 Å²	30	61.1 Å²	61.1	20%	0.195	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-20	-176.2	29.3	-35.8	0	0	0	113.9	N107 I123	N107-P119 HydrophobicContact CB-CB 4.09Å; P119-I123 WeakPolarHBondContact CD-O 3.15Å; P119-I123 HydrophobicContact CG-CB 4.17Å; P119-I123 HydrophobicContact CG-CG2 3.86Å
120	E	64.4	Low	59.6	Low	108 Å²	108	57.3 Å²	57.3	51%	0.505	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	159.3	173.8	-67.4	-176.6	-168.4	0	0	109	S118 C122 I123	S118-E120 VanDerWaalsContact C-N 3.33Å; E120-C122 VanDerWaalsContact C-N 3.25Å; E120-C122 PolarHBondContact O-N 3.02Å; E120-C122 VanDerWaalsContact O-N 3.11Å; E120-I123 HydrophobicContact CB-CB 4.28Å; E120-I123 HydrophobicContact CB-CD1 3.95Å; E120-I123 HydrophobicContact CB-CG1 3.98Å; E120-I123 HydrophobicContact CG-CD1 4.22Å; E120-I123 PolarHBondContact O-N 3.21Å; E120-I123 VanDerWaalsContact O-O 3.04Å
121	P	58.8	Low	60.1	Low	79 Å²	79	59.8 Å²	59.8	51%	0.513	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.1	-174.2	-28.4	36.5	0	0	0	115.8	E153 C154	P121-E153 VanDerWaalsContact CB-C 3.43Å; P121-E153 WeakPolarHBondContact CB-O 3.25Å; P121-C154 HydrophobicContact CB-CB 4.47Å
122	C	61.4	Low	60.8	Low	39 Å²	39	61.1 Å²	61.1	26%	0.264	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	0.6	177.7	-67.4	0	0	0	0	114.6	E120 T136 T137 C154	E120-C122 VanDerWaalsContact C-N 3.25Å; E120-C122 PolarHBondContact O-N 3.02Å; E120-C122 VanDerWaalsContact O-N 3.11Å; C122-T136 WeakPolarHBondContact O-CA 3.42Å; C122-T137 PolarHBondContact O-N 2.89Å; C122-C154 WeakPolarHBondContact CA-SG 3.43Å; C122-C154 HydrophobicContact CB-CB 3.94Å; C122-C154 WeakPolarHBondContact CB-SG 3.39Å; C122-C154 WeakPolarHBondContact SG-CA 3.22Å; C122-C154 WeakPolarHBondContact SG-CB 3.34Å; C122-C154 CovalentContact SG-SG 2.04Å; C122-C154 PolarHBondContact SG-SG 2.99Å
123	I	71.1	Confident	61.5	Low	33 Å²	33	65 Å²	65	17%	0.169	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.2	-168	-50.5	-174.7	0	0	0	109	S118 P119 E120 C134 D135 T136	S118-I123 WeakPolarHBondContact CA-O 3.39Å; S118-I123 VanDerWaalsContact CB-O 3.23Å; S118-I123 WeakPolarHBondContact CB-O 3.44Å; P119-I123 WeakPolarHBondContact CD-O 3.15Å; P119-I123 HydrophobicContact CG-CB 4.17Å; P119-I123 HydrophobicContact CG-CG2 3.86Å; E120-I123 HydrophobicContact CB-CB 4.28Å; E120-I123 HydrophobicContact CB-CD1 3.95Å; E120-I123 HydrophobicContact CB-CG1 3.98Å; E120-I123 HydrophobicContact CG-CD1 4.22Å; E120-I123 PolarHBondContact O-N 3.21Å; E120-I123 VanDerWaalsContact O-O 3.04Å; I123-C134 HydrophobicContact CG2-CB 3.91Å; I123-D135 WeakPolarHBondContact CA-O 3.33Å; I123-T136 HydrophobicContact CD1-CG2 4.38Å; I123-T136 HydrophobicContact CG1-CG2 3.86Å
124	T	59.1	Low	62	Low	62 Å²	62	65.1 Å²	65.1	38%	0.38	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	124.4	172.1	-63.6	0	0	0	0	110.1	V116 S118 C134 D135	V116-T124 HydrophobicContact CG1-CG2 3.68Å; S118-T124 PolarHBondContact OG-OG1 3.18Å; T124-C134 WeakPolarHBondContact O-CA 3.11Å; T124-D135 PolarHBondContact N-O 3.4Å; T124-D135 PolarHBondContact O-N 3.5Å
125	C	71.7	Confident	62.1	Low	1 Å²	1	62.6 Å²	62.6	1%	0.007	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	136.1	-172.6	-52.9	0	0	0	0	110.9	V116 W117 V132 L133 C134	V116-C125 CarbonylContact C-O 3.59Å; V116-C125 VanDerWaalsContact CA-O 3.22Å; V116-C125 WeakPolarHBondContact CA-O 3.39Å; V116-C125 WeakPolarHBondContact CG1-O 3.32Å; W117-C125 HydrophobicContact CD2-CB 3.62Å; W117-C125 HydrophobicContact CE3-CB 3.65Å; W117-C125 HydrophobicContact CG-CB 4.45Å; W117-C125 HydrophobicContact CH2-CB 3.67Å; W117-C125 HydrophobicContact CZ2-CB 3.62Å; W117-C125 HydrophobicContact CZ3-CB 3.68Å; W117-C125 WeakPolarHBondContact CZ3-O 3.46Å; W117-C125 PolarHBondContact N-O 3.27Å; W117-C125 PolarHBondContact O-N 2.92Å; C125-V132 HydrophobicContact CB-CG1 3.97Å; C125-L133 CarbonylContact C-O 3.59Å; C125-L133 WeakPolarHBondContact CA-O 3.46Å; C125-C134 HydrophobicContact CB-CB 4.08Å; C125-C134 WeakPolarHBondContact CB-SG 3.35Å; C125-C134 WeakPolarHBondContact SG-CB 3.3Å; C125-C134 CovalentContact SG-SG 2.04Å; C125-C134 PolarHBondContact SG-SG 2.91Å
126	L	59.2	Low	62.8	Low	67 Å²	67	66.2 Å²	66.2	35%	0.351	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	136	171.3	162.8	64.6	0	0	0	108.2	A115 V116 L133	A115-L126 WeakPolarHBondContact O-CA 3.29Å; V116-L126 HydrophobicContact CG2-CB 4.33Å; V116-L126 HydrophobicContact CG2-CD1 3.89Å; L126-L133 PolarHBondContact N-O 3.5Å; L126-L133 PolarHBondContact O-N 2.61Å
127	C	68.8	Low	63.1	Low	0 Å²	0	66.4 Å²	66.4	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	125.7	170.9	172.4	0	0	0	0	110.1	H103 C104 M111 Y112 K114 A115 W117	H103-C127 VanDerWaalsContact C-SG 3.58Å; C104-C127 HydrophobicContact CB-CB 3.47Å; C104-C127 VanDerWaalsContact CB-CB 3.47Å; C104-C127 WeakPolarHBondContact CB-SG 3.39Å; C104-C127 PolarHBondContact N-SG 3.5Å; C104-C127 WeakPolarHBondContact SG-CA 3.4Å; C104-C127 WeakPolarHBondContact SG-CB 3.22Å; C104-C127 CovalentContact SG-SG 2.03Å; C104-C127 PolarHBondContact SG-SG 2.95Å; M111-C127 HydrophobicContact CB-CB 3.89Å; M111-C127 PolarHBondContact O-SG 3.17Å; Y112-C127 WeakPolarHBondContact O-CB 3.5Å; Y112-C127 PolarHBondContact O-SG 2.86Å; Y112-C127 VanDerWaalsContact O-SG 3.39Å; K114-C127 PolarHBondContact N-O 3.45Å; A115-C127 PolarHBondContact O-N 2.88Å; W117-C127 HydrophobicContact CH2-CB 4.3Å; W117-C127 HydrophobicContact CZ3-CB 3.97Å
128	S	67.2	Low	63.2	Low	43 Å²	43	73.3 Å²	73.3	30%	0.301	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	118	177.1	-171	0	0	0	0	110.4	C104 G130 K131	C104-S128 PolarHBondContact SG-N 2.94Å; S128-G130 PolarHBondContact O-N 3.42Å; S128-K131 PolarHBondContact N-O 3.47Å; S128-K131 PolarHBondContact O-N 2.89Å
129	K	62.2	Low	63.9	Low	149 Å²	149	72.3 Å²	72.3	65%	0.648	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.9	35.7	169.9	-57.3	179.9	-177.2	173.9	0	115.5	Q101 G102 D113	Q101-K129 WeakPolarHBondContact CA-O 3.06Å; G102-K129 VanDerWaalsContact N-C 3.32Å; D113-K129 WeakPolarHBondContact OD1-CG 3.49Å; D113-K129 PolarHBondContact OD1-N 2.87Å
130	G	59.1	Low	64.3	Low	26 Å²	26	78.9 Å²	78.9	27%	0.268	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.8	3.7	178.7	0	0	0	0	0	115.2	G102 H103 S128	G102-G130 VanDerWaalsContact N-N 3.16Å; H103-G130 VanDerWaalsContact O-CA 3.3Å; H103-G130 WeakPolarHBondContact O-CA 3.3Å; S128-G130 PolarHBondContact O-N 3.42Å
131	K	63.4	Low	64.2	Low	157 Å²	157	79.7 Å²	79.7	68%	0.683	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.8	133	175.5	-72.2	-168.8	174.2	-170.1	0	111.8	C104 S128	C104-K131 PolarHBondContact SG-N 3Å; C104-K131 VanDerWaalsContact SG-N 3.44Å; C104-K131 PolarHBondContact SG-O 2.83Å; S128-K131 PolarHBondContact N-O 3.47Å; S128-K131 PolarHBondContact O-N 2.89Å
132	V	68.7	Low	64.8	Low	46 Å²	46	80.7 Å²	80.7	28%	0.279	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	131.6	160.1	-173.8	0	0	0	0	108	C104 T105 A106 W117 C125 C134	C104-V132 HydrophobicContact CB-CB 4.38Å; C104-V132 HydrophobicContact CB-CG2 3.57Å; T105-V132 VanDerWaalsContact N-CG2 3.28Å; T105-V132 VanDerWaalsContact O-CG2 3.29Å; T105-V132 WeakPolarHBondContact O-CG2 3.23Å; A106-V132 HydrophobicContact CB-CG1 4.17Å; A106-V132 HydrophobicContact CB-CG2 4.41Å; W117-V132 HydrophobicContact CH2-CB 4.46Å; W117-V132 HydrophobicContact CH2-CG1 3.81Å; W117-V132 HydrophobicContact CH2-CG2 4.12Å; W117-V132 HydrophobicContact CZ2-CG1 4.05Å; W117-V132 HydrophobicContact CZ2-CG2 4.35Å; C125-V132 HydrophobicContact CB-CG1 3.97Å; V132-C134 HydrophobicContact CG1-CB 4.42Å; V132-C134 WeakPolarHBondContact CG1-SG 3.48Å
133	L	65.2	Low	65	Low	97 Å²	97	89.2 Å²	89.2	51%	0.508	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	88.1	164.9	-70.5	129	0	0	0	106.5	C125 L126	C125-L133 CarbonylContact C-O 3.59Å; C125-L133 WeakPolarHBondContact CA-O 3.46Å; L126-L133 PolarHBondContact N-O 3.5Å; L126-L133 PolarHBondContact O-N 2.61Å
134	C	67.3	Low	65.1	Low	61 Å²	61	89.6 Å²	89.6	41%	0.412	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	131.3	167	-60.5	0	0	0	0	108.9	I123 T124 C125 V132	I123-C134 HydrophobicContact CG2-CB 3.91Å; T124-C134 WeakPolarHBondContact O-CA 3.11Å; C125-C134 HydrophobicContact CB-CB 4.08Å; C125-C134 WeakPolarHBondContact CB-SG 3.35Å; C125-C134 WeakPolarHBondContact SG-CB 3.3Å; C125-C134 CovalentContact SG-SG 2.04Å; C125-C134 PolarHBondContact SG-SG 2.91Å; V132-C134 HydrophobicContact CG1-CB 4.42Å; V132-C134 WeakPolarHBondContact CG1-SG 3.48Å
135	D	52	Low	65.4	Low	120 Å²	120	95.3 Å²	95.3	64%	0.642	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.8	149.1	166.5	-160.9	-2.8	0	0	0	109.1	I123 T124	I123-D135 WeakPolarHBondContact CA-O 3.33Å; T124-D135 PolarHBondContact N-O 3.4Å; T124-D135 PolarHBondContact O-N 3.5Å
136	T	66	Low	64.9	Low	88 Å²	88	99.6 Å²	99.6	54%	0.54	53%	0.526	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	111.6	-170.4	18.5	0	0	0	0	109.7	C122 I123 M138	C122-T136 WeakPolarHBondContact O-CA 3.42Å; I123-T136 HydrophobicContact CD1-CG2 4.38Å; I123-T136 HydrophobicContact CG1-CG2 3.86Å; T136-M138 PolarHBondContact O-N 2.99Å
137	T	59.4	Low	65.8	Low	91 Å²	91	100.1 Å²	100.1	56%	0.558	53%	0.532	S	S	*	.	P	Polyproline II helix	trans	-75.7	120.3	-170.9	-39.5	0	0	0	0	111.5	C122	C122-T137 PolarHBondContact O-N 2.89Å
138	M	63.6	Low	65.9	Low	170 Å²	170	104.7 Å²	104.7	84%	0.837	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-90.7	126.4	176.4	-65.8	-161.6	75.4	0	0	112	T136	T136-M138 PolarHBondContact O-N 2.99Å
139	C	71	Confident	66.3	Low	52 Å²	52	108 Å²	108	35%	0.351	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-80.1	141.6	178.8	-49.6	0	0	0	0	111.6	C155	C139-C155 HydrophobicContact CB-CB 3.86Å; C139-C155 WeakPolarHBondContact CB-SG 3.36Å; C139-C155 WeakPolarHBondContact SG-CA 3.2Å; C139-C155 WeakPolarHBondContact SG-CB 3.24Å; C139-C155 CovalentContact SG-SG 2.04Å; C139-C155 PolarHBondContact SG-SG 2.84Å
140	H	71.8	Confident	66.5	Low	167 Å²	167	103.4 Å²	103.4	77%	0.773	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-72.2	144.7	177.6	-72.9	68	0	0	0	111.3	L142	H140-L142 PolarHBondContact O-N 3.38Å; H140-L142 VanDerWaalsContact O-N 3.12Å
141	P	61.2	Low	66.3	Low	126 Å²	126	107.6 Å²	107.6	82%	0.818	59%	0.586	S	S	*	*			trans	-72.3	106.2	-174.6	27.8	-34.6	0	0	0	112.6
142	L	72.1	Confident	66.1	Low	99 Å²	99	103.2 Å²	103.2	52%	0.518	59%	0.585	S	S	.	*			trans	-81.2	129.7	176.7	-67.3	169.1	0	0	0	111.8	H140 C144 P156	H140-L142 PolarHBondContact O-N 3.38Å; H140-L142 VanDerWaalsContact O-N 3.12Å; L142-C144 PolarHBondContact O-N 3.34Å; L142-P156 VanDerWaalsContact CD1-O 3.24Å; L142-P156 WeakPolarHBondContact CD1-O 3.39Å
143	K	65.3	Low	66.1	Low	219 Å²	219	107.1 Å²	107.1	95%	0.952	60%	0.6	S	S	*	*			trans	-95.4	76.8	174.3	-68.9	-177.1	179.1	177.8	0	111
144	C	73.2	Confident	66.5	Low	41 Å²	41	103.7 Å²	103.7	28%	0.277	59%	0.585	S	S	.	*			trans	-140.6	159.4	178.3	56.4	0	0	0	0	112.6	L142 C158	L142-C144 PolarHBondContact O-N 3.34Å; C144-C158 HydrophobicContact CB-CB 3.69Å; C144-C158 WeakPolarHBondContact CB-SG 3.41Å; C144-C158 VanDerWaalsContact SG-CA 3.58Å; C144-C158 WeakPolarHBondContact SG-CB 3.31Å; C144-C158 CovalentContact SG-SG 2.04Å; C144-C158 PolarHBondContact SG-SG 3Å
145	H	65.8	Low	67	Low	181 Å²	181	102.9 Å²	102.9	84%	0.838	58%	0.579	S	S	*	*	S	Bend	trans	-84	-18.8	-166.7	-124.8	55.4	0	0	0	114.8
146	N	61.4	Low	68.2	Low	91 Å²	91	99.4 Å²	99.4	49%	0.487	56%	0.563	S	S	.	*			trans	-143.6	141.6	174.2	-79.1	-54.9	0	0	0	109.3	S159	N146-S159 PolarHBondContact O-N 3.2Å
147	T	76.8	Confident	68.9	Low	79 Å²	79	98.5 Å²	98.5	49%	0.485	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-131.3	152.4	176.1	50.2	0	0	0	0	111.7	V157	T147-V157 CarbonylContact C-O 3.55Å; T147-V157 VanDerWaalsContact CA-O 3.23Å; T147-V157 WeakPolarHBondContact CA-O 3.38Å
148	I	72.3	Confident	69.6	Low	96 Å²	96	96.1 Å²	96.1	49%	0.492	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	154	175.9	58.8	174.5	0	0	0	110.7	P156 V157	I148-P156 WeakPolarHBondContact O-CA 3.48Å; I148-V157 HydrophobicContact CG1-CG2 3.94Å; I148-V157 PolarHBondContact N-O 2.96Å; I148-V157 PolarHBondContact O-N 2.93Å
149	I	75.4	Confident	69.9	Low	112 Å²	112	89.9 Å²	89.9	57%	0.574	52%	0.517	S	S	*	.			trans	-118.8	122	176.7	-57.7	173	0	0	0	108.2	P156	I149-P156 HydrophobicContact CD1-CB 4.48Å; I149-P156 HydrophobicContact CG1-CB 3.86Å
150	P	65.5	Low	69.4	Low	52 Å²	52	94.3 Å²	94.3	34%	0.338	54%	0.537	S	S	.	.			trans	-66.3	148.9	175	-20.4	33	0	0	0	113.1	G152 E153	P150-G152 PolarHBondContact O-N 2.99Å; P150-E153 HydrophobicContact CB-CB 4.36Å; P150-E153 PolarHBondContact O-N 3.46Å
151	A	55	Low	68.3	Low	115 Å²	115	93.3 Å²	93.3	95%	0.95	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	105	178.9	0	0	0	0	0	111.2
152	G	60.1	Low	67.1	Low	64 Å²	64	91 Å²	91	66%	0.66	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	114.9	-6.4	179.7	0	0	0	0	0	114.9	P150	P150-G152 PolarHBondContact O-N 2.99Å
153	E	68	Low	65.3	Low	128 Å²	128	91.3 Å²	91.3	60%	0.598	54%	0.538	S	S	*	.			trans	-110.6	167.2	-179	-69.8	-168.2	-170.6	0	0	113.5	P121 P150	P121-E153 VanDerWaalsContact CB-C 3.43Å; P121-E153 WeakPolarHBondContact CB-O 3.25Å; P150-E153 HydrophobicContact CB-CB 4.36Å; P150-E153 PolarHBondContact O-N 3.46Å
154	C	73.7	Confident	63.9	Low	26 Å²	26	86 Å²	86	18%	0.176	53%	0.528	C	S	.	.	S	Bend	trans	-86.6	-57	-174	174.5	0	0	0	0	114.3	P121 C122	P121-C154 HydrophobicContact CB-CB 4.47Å; C122-C154 WeakPolarHBondContact CA-SG 3.43Å; C122-C154 HydrophobicContact CB-CB 3.94Å; C122-C154 WeakPolarHBondContact CB-SG 3.39Å; C122-C154 WeakPolarHBondContact SG-CA 3.22Å; C122-C154 WeakPolarHBondContact SG-CB 3.34Å; C122-C154 CovalentContact SG-SG 2.04Å; C122-C154 PolarHBondContact SG-SG 2.99Å
155	C	77.9	Confident	61.9	Low	43 Å²	43	92.3 Å²	92.3	29%	0.291	56%	0.558	S	S	.	*	S	Bend	trans	-94.7	143.1	-163.9	-71.7	0	0	0	0	113.6	C139	C139-C155 HydrophobicContact CB-CB 3.86Å; C139-C155 WeakPolarHBondContact CB-SG 3.36Å; C139-C155 WeakPolarHBondContact SG-CA 3.2Å; C139-C155 WeakPolarHBondContact SG-CB 3.24Å; C139-C155 CovalentContact SG-SG 2.04Å; C139-C155 PolarHBondContact SG-SG 2.84Å
156	P	76.3	Confident	60.3	Low	47 Å²	47	90.8 Å²	90.8	31%	0.305	56%	0.556	S	S	.	*			trans	-70.4	143.7	172.4	29.8	-34.1	0	0	0	111.3	L142 I148 I149	L142-P156 VanDerWaalsContact CD1-O 3.24Å; L142-P156 WeakPolarHBondContact CD1-O 3.39Å; I148-P156 WeakPolarHBondContact O-CA 3.48Å; I149-P156 HydrophobicContact CD1-CB 4.48Å; I149-P156 HydrophobicContact CG1-CB 3.86Å
157	V	80.5	Confident	59.6	Low	69 Å²	69	91.2 Å²	91.2	42%	0.418	56%	0.564	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.4	152.8	173.4	-64.8	0	0	0	0	110.8	T147 I148	T147-V157 CarbonylContact C-O 3.55Å; T147-V157 VanDerWaalsContact CA-O 3.23Å; T147-V157 WeakPolarHBondContact CA-O 3.38Å; I148-V157 HydrophobicContact CG1-CG2 3.94Å; I148-V157 PolarHBondContact N-O 2.96Å; I148-V157 PolarHBondContact O-N 2.93Å
158	C	75.3	Confident	57.3	Low	41 Å²	41	91.9 Å²	91.9	28%	0.277	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-68.6	134.8	178.4	-62	0	0	0	0	111.5	C144	C144-C158 HydrophobicContact CB-CB 3.69Å; C144-C158 WeakPolarHBondContact CB-SG 3.41Å; C144-C158 VanDerWaalsContact SG-CA 3.58Å; C144-C158 WeakPolarHBondContact SG-CB 3.31Å; C144-C158 CovalentContact SG-SG 2.04Å; C144-C158 PolarHBondContact SG-SG 3Å
159	S	68.9	Low	55.3	Low	40 Å²	40	93.3 Å²	93.3	28%	0.28	59%	0.586	S	S	.	*			trans	-100.8	83.2	178.7	174.4	0	0	0	0	110.2	N146 I161	N146-S159 PolarHBondContact O-N 3.2Å; S159-I161 VanDerWaalsContact C-N 3.26Å; S159-I161 PolarHBondContact O-N 3.32Å
160	D	60.3	Low	53.1	Low	144 Å²	144	95.5 Å²	95.5	77%	0.77	60%	0.597	S	S	*	*			trans	-74.2	67.8	-175	-71.5	-24.4	0	0	0	113.8
161	I	48.8	Very low	51.3	Low	147 Å²	147	97.3 Å²	97.3	75%	0.754	61%	0.61	S	S	*	*			trans	-130.7	85.3	163.4	-53.2	-177	0	0	0	109.9	S159	S159-I161 VanDerWaalsContact C-N 3.26Å; S159-I161 PolarHBondContact O-N 3.32Å
162	A	37	Very low	50.2	Low	76 Å²	76	98.8 Å²	98.8	63%	0.628	60%	0.6	S	S	*	*			trans	66.3	148.9	165.5	0	0	0	0	0	117.3
163	S	33.4	Very low	48.8	Very low	107 Å²	107	101.9 Å²	101.9	75%	0.748	60%	0.601	S	S	*	*			cis	-131.5	152.6	15.8	-57	0	0	0	0	113.5
164	S	36.5	Very low	46.9	Very low	107 Å²	107	102 Å²	102	75%	0.748	61%	0.606	S	S	*	*			trans	-63.6	140.5	175.3	52.3	0	0	0	0	114.1
165	L	32.2	Very low	44.9	Very low	173 Å²	173	107.1 Å²	107.1	91%	0.906	63%	0.631	S	S	*	*				-174.5	151.4	117.3	-95.3	156.4	0	0	0	112.6
166	D	30.7	Very low	42.6	Very low	149 Å²	149	110 Å²	110	80%	0.797	65%	0.647	S	S	*	*			trans	-71.6	177.7	-173.5	-103.1	-45.7	0	0	0	116.1
167	P	47.5	Very low	40.4	Very low	100 Å²	100	115.6 Å²	115.6	65%	0.649	67%	0.669	S	S	*	*			cis	-141.4	-176.7	-16.3	35.1	-14.8	0	0	0	116.7
168	S	27.4	Very low	38	Very low	94 Å²	94	119 Å²	119	66%	0.657	68%	0.684	S	S	*	*			trans	98.4	122	136.4	73.4	0	0	0	0	123.8
169	T	30.3	Very low	35.7	Very low	126 Å²	126	122.2 Å²	122.2	77%	0.773	71%	0.707	S	S	*	*			trans	63.8	148.1	145.7	53.3	0	0	0	0	120
170	I	29.1	Very low	33.8	Very low	157 Å²	157	124.1 Å²	124.1	81%	0.805	73%	0.733	S	S	*	*			cis	-149.6	178.2	-1	-122.1	159.4	0	0	0	110
171	S	28.6	Very low	32.2	Very low	90 Å²	90	125.2 Å²	125.2	63%	0.629	74%	0.739	S	S	*	*			trans	-77.6	-166.8	178.6	58.4	0	0	0	0	113.9
172	M	31.9	Very low	31.4	Very low	147 Å²	147	123.2 Å²	123.2	72%	0.724	74%	0.738	S	S	*	*			cis	-168.4	153.8	20.6	-133.1	157	149.1	0	0	110.2
173	D	30.3	Very low	31.7	Very low	128 Å²	128	125.4 Å²	125.4	68%	0.684	75%	0.746	S	S	*	*			trans	50.5	165	151.5	-41	-23	0	0	0	120.9
174	D	28.8	Very low	31.7	Very low	132 Å²	132	128.9 Å²	128.9	71%	0.706	75%	0.75	S	S	*	*			cis	-155.8	161.5	-4.9	-141.1	-10	0	0	0	115.3
175	L	30.6	Very low	32.3	Very low	132 Å²	132	128.4 Å²	128.4	69%	0.691	75%	0.745	S	S	*	*			trans	33	159.4	145.3	-84.8	169.2	0	0	0	128.2
176	T	30.6	Very low	32.1	Very low	104 Å²	104	127.7 Å²	127.7	64%	0.638	74%	0.742	S	S	*	*			trans	76.9	119.2	148.9	40.1	0	0	0	0	120.7
177	E	29	Very low	32	Very low	164 Å²	164	127.8 Å²	127.8	77%	0.766	74%	0.742	S	S	*	*				82.8	155.2	79.7	-76.2	-170.4	163.7	0	0	114.2
178	L	30.1	Very low	31.9	Very low	141 Å²	141	128.5 Å²	128.5	74%	0.738	75%	0.747	S	S	*	*			cis	-155.5	-173.2	1	-124.2	168.9	0	0	0	111.6
179	S	28.4	Very low	31.9	Very low	109 Å²	109	127.7 Å²	127.7	76%	0.762	75%	0.754	S	S	*	*			trans	-60.8	164.8	179.5	58.4	0	0	0	0	118.3
180	G	27.3	Very low	31.8	Very low	79 Å²	79	129.2 Å²	129.2	81%	0.814	76%	0.757	S	S	*	*			trans	-167.5	147.2	161.3	0	0	0	0	0	114.7
181	D	28.5	Very low	32.5	Very low	167 Å²	167	126.5 Å²	126.5	89%	0.893	75%	0.75	S	S	*	*			trans	-109.8	176.4	-169.4	-119	-47.9	0	0	0	115
182	S	30.3	Very low	32.5	Very low	105 Å²	105	127.6 Å²	127.6	73%	0.734	75%	0.752	S	S	*	*			trans	-69	175	173.9	-65.3	0	0	0	0	113.4
183	P	44.3	Very low	32.3	Very low	123 Å²	123	126.3 Å²	126.3	80%	0.799	75%	0.752	S	S	*	*			cis	-145.6	-168.4	20.2	44	-22	0	0	0	118.4
184	E	32.3	Very low	32.1	Very low	180 Å²	180	130.8 Å²	130.8	84%	0.841	76%	0.76	S	S	*	*			trans	-62.5	-177.5	169	-46.9	-175.9	133.1	0	0	114
185	P	50.5	Low	32	Very low	97 Å²	97	128.6 Å²	128.6	63%	0.63	76%	0.755	S	S	*	*			cis	-138.9	172.7	1.9	41.1	-22.9	0	0	0	117.3
186	N	27.8	Very low	31.8	Very low	158 Å²	158	127.6 Å²	127.6	85%	0.845	76%	0.759	S	S	*	*				169.6	146.6	117.5	-86.8	-54	0	0	0	114.6
187	D	27.8	Very low	31.6	Very low	150 Å²	150	126.3 Å²	126.3	80%	0.802	76%	0.759	S	S	*	*			trans	-85.7	179.2	168.1	-152	31.2	0	0	0	109.5
188	P	46.1	Very low	31.5	Very low	116 Å²	116	126.3 Å²	126.3	75%	0.753	76%	0.759	S	S	*	*			cis	-132.1	176.2	-6.2	42.8	-27.4	0	0	0	115.4
189	G	26.3	Very low	31.4	Very low	77 Å²	77	124.7 Å²	124.7	79%	0.794	75%	0.754	S	S	*	*			trans	173	60.1	169.2	0	0	0	0	0	120.7
190	D	28.2	Very low	31.5	Very low	158 Å²	158	128.1 Å²	128.1	85%	0.845	76%	0.759	S	S	*	*			trans	-72.5	163.3	158.7	-146.2	29.1	0	0	0	109.2
191	P	45.6	Very low	31.4	Very low	100 Å²	100	127.8 Å²	127.8	65%	0.649	76%	0.755	S	S	*	*			cis	-154.6	-160.3	27.6	43.6	-19.3	0	0	0	118.4
192	V	27.8	Very low	31.5	Very low	112 Å²	112	127.5 Å²	127.5	68%	0.679	75%	0.748	S	S	*	*			trans	96.3	90.6	144.1	157.1	0	0	0	0	121
193	T	27	Very low	31.3	Very low	120 Å²	120	130.6 Å²	130.6	74%	0.736	75%	0.748	S	S	*	*			trans	72.1	162.3	138.9	75.6	0	0	0	0	118.4
194	R	26.2	Very low	30.4	Very low	222 Å²	222	128 Å²	128	84%	0.838	74%	0.743	S	S	*	*			cis	-159.9	143.3	31.5	-140.3	-175.6	-167.1	160.1	2.9	114.2
195	S	26.3	Very low	30.1	Very low	87 Å²	87	128.4 Å²	128.4	61%	0.608	75%	0.745	S	S	*	*			trans	45.9	118.9	136.8	68.4	0	0	0	0	120.5
196	S	26.5	Very low	28.9	Very low	111 Å²	111	131 Å²	131	78%	0.776	75%	0.753	S	S	*	*				99.7	150.5	87.4	67.2	0	0	0	0	113.8
197	A	27.5	Very low	28.8	Very low	76 Å²	76	131.3 Å²	131.3	63%	0.628	75%	0.753	S	S	*	*			cis	-174.8	-166.8	-14	0	0	0	0	0	109.2
198	H	27.8	Very low	28.8	Very low	165 Å²	165	134.7 Å²	134.7	76%	0.764	76%	0.755	S	S	*	*			trans	78	118.4	165.2	-65.1	-67.6	0	0	0	116.8
199	T	27.4	Very low	27.8	Very low	106 Å²	106	136.1 Å²	136.1	65%	0.65	76%	0.762	S	S	*	*				75.2	145.8	58.7	66.9	0	0	0	0	113.5
200	Q	29.5	Very low	27.9	Very low	182 Å²	182	141.5 Å²	141.5	85%	0.85	77%	0.766	S	S	*	*			cis	-154.6	156.6	18.9	-134	149.9	4	0	0	109.7
201	G	26.5	Very low	27.7	Very low	71 Å²	71	137.3 Å²	137.3	73%	0.732	76%	0.76	S	S	*	*				91.4	136.7	93.2	0	0	0	0	0	112.3
202	E	29.5	Very low	26.8	Very low	162 Å²	162	139 Å²	139	76%	0.757	77%	0.768	S	S	*	*			cis	-134.2	-155.3	3.7	-54.1	-176.3	80.6	0	0	109.9
203	K	26.3	Very low	26.6	Very low	170 Å²	170	142.8 Å²	142.8	74%	0.739	78%	0.778	S	S	*	*			cis	-144.5	-154.3	-0	-134.8	160.2	178.9	79.3	0	107.2
204	G	26.2	Very low	26.5	Very low	67 Å²	67	142.9 Å²	142.9	69%	0.691	78%	0.784	S	S	*	*			cis	107.2	111.1	15.6	0	0	0	0	0	110.5
205	E	25.9	Very low	26.6	Very low	190 Å²	190	142 Å²	142	89%	0.888	79%	0.786	S	S	*	*			cis	-139.4	147.7	10.4	-76.9	178.1	109.1	0	0	109.2
206	L	25.5	Very low	26.6	Very low	150 Å²	150	147 Å²	147	79%	0.785	80%	0.8	S	S	*	*				90.1	105.7	52.6	-162.1	92.9	0	0	0	115.3
207	I	24.9	Very low	26.6	Very low	166 Å²	166	150.9 Å²	150.9	85%	0.851	80%	0.802	S	S	*	*			trans	178.3	159.2	133.4	-94	161.3	0	0	0	111
208	R	27.1	Very low	26.5	Very low	220 Å²	220	154.9 Å²	154.9	83%	0.83	81%	0.808	S	S	*	*			trans	-98.8	159.4	-173.2	-66.3	168.3	158.8	158.9	-11.1	114.2
209	T	25	Very low	26.5	Very low	147 Å²	147	153.7 Å²	153.7	90%	0.902	81%	0.806	S	S	*	*				-163.4	178.3	116.8	11.7	0	0	0	0	111.5
210	E	28.8	Very low	26.4	Very low	190 Å²	190	155.9 Å²	155.9	89%	0.888	81%	0.813	S	S	*	*			trans	-120	165.4	-155.7	-56.7	178.2	130.1	0	0	115.5
211	G	24.8	Very low	26.3	Very low	69 Å²	69	158.6 Å²	158.6	71%	0.711	82%	0.816	S	S	*	*			trans	106.9	155.7	154.9	0	0	0	0	0	116.5
212	V	25.5	Very low	26.2	Very low	135 Å²	135	162.4 Å²	162.4	82%	0.818	83%	0.825	S	S	*	*			cis	-154.6	146.7	-14.2	177.7	0	0	0	0	106.6
213	E	23.6	Very low	26.2	Very low	193 Å²	193	163.3 Å²	163.3	90%	0.902	83%	0.826	S	S	*	*			trans	170.1	167	133.5	-94.3	-171.6	162.2	0	0	114.9
214	S	25.8	Very low	26.4	Very low	121 Å²	121	163 Å²	163	85%	0.846	83%	0.827	S	S	*	*			trans	-112.4	175.5	-160.3	-62.8	0	0	0	0	113.7
215	K	27.3	Very low	26.5	Very low	205 Å²	205	163.1 Å²	163.1	89%	0.891	83%	0.828	S	S	*	*			trans	-127.3	159.4	178.6	-63	177.8	-179.7	175.4	0	111.7
216	E	26.9	Very low	26.7	Very low	191 Å²	191	163.7 Å²	163.7	89%	0.893	83%	0.828	S	S	*	*			trans	-116.2	158.7	156.2	-67	-165.2	121.9	0	0	111.4
217	K	27.3	Very low	26.9	Very low	192 Å²	192	167.3 Å²	167.3	84%	0.835	83%	0.831	S	S	*	*			trans	-171.1	98.4	153.8	-115.3	-176.3	179.6	-166.7	0	114.8
218	E	25.7	Very low	27	Very low	161 Å²	161	168 Å²	168	75%	0.752	83%	0.828	S	S	*	*				45.8	145.5	115.9	-140.3	-155.3	153.6	0	0	123.8
219	I	27.3	Very low	27	Very low	139 Å²	139	168.2 Å²	168.2	71%	0.713	83%	0.829	S	S	*	*			trans	103	133.3	153.9	-53.2	-173.1	0	0	0	119.7
220	L	25.5	Very low	27.1	Very low	153 Å²	153	171 Å²	171	80%	0.801	83%	0.828	S	S	*	*			trans	-90.2	163.4	-172.6	-64	67.8	0	0	0	114.9
221	R	26.3	Very low	27	Very low	239 Å²	239	165.5 Å²	165.5	90%	0.902	82%	0.823	S	S	*	*				167.2	141.5	107.8	-92.3	178.2	179.5	-177	1.9	116
222	T	24.9	Very low	27.1	Very low	150 Å²	150	171.5 Å²	171.5	92%	0.92	83%	0.829	S	S	*	*			trans	-146.5	169.9	155.9	23.2	0	0	0	0	110.5
223	K	29.9	Very low	27.2	Very low	182 Å²	182	174 Å²	174	79%	0.791	83%	0.829	S	S	*	*			trans	-144.3	171.2	-176.2	-128.4	-174.7	-177.5	-89.4	0	113.2
224	E	30.2	Very low	27.4	Very low	163 Å²	163	170.3 Å²	170.3	76%	0.762	83%	0.825	S	S	*	*			trans	-59	174.3	-174	-49.7	144.3	87.2	0	0	115.7
225	G	28.9	Very low	27.6	Very low	69 Å²	69	176 Å²	176	71%	0.711	83%	0.827	S	S	*	*			trans	-163.7	157.6	163.8	0	0	0	0	0	115.9
226	K	30	Very low	27.8	Very low	203 Å²	203	175 Å²	175	88%	0.883	82%	0.823	S	S	*	*			trans	-171	126.4	157.8	-104.8	151.8	-172.4	170.3	0	112.5
227	R	28.2	Very low	28	Very low	225 Å²	225	175 Å²	175	85%	0.849	82%	0.82	S	S	*	*			trans	30.1	126.4	143.7	-68.6	173.7	168.7	-178.9	-3.9	118.1
228	K	28.2	Very low	28.2	Very low	180 Å²	180	169.7 Å²	169.7	78%	0.783	81%	0.812	S	S	*	*				172.7	164.8	64.8	-124.6	163.2	-175.1	176	0	113
229	R	27.4	Very low	28.3	Very low	225 Å²	225	173.2 Å²	173.2	85%	0.849	82%	0.82	S	S	*	*			trans	74.5	110.9	154.5	-76.1	-179	169.6	176.1	-2.8	122.2
230	K	26.9	Very low	28.5	Very low	206 Å²	206	177.6 Å²	177.6	90%	0.896	83%	0.828	S	S	*	*			trans	49.6	102.9	132.6	-64.4	-172.7	174.9	-174.8	0	120.9
231	G	25.8	Very low	28.7	Very low	75 Å²	75	180 Å²	180	77%	0.773	83%	0.832	S	S	*	*				112.3	139.7	97.2	0	0	0	0	0	120.9
232	K	28.4	Very low	29	Very low	195 Å²	195	177.5 Å²	177.5	85%	0.848	83%	0.83	S	S	*	*			trans	69	101.1	161.4	-71	-176.4	177.8	176.5	0	120.4
233	K	27.5	Very low	29.5	Very low	188 Å²	188	179.4 Å²	179.4	82%	0.817	83%	0.829	S	S	*	*				67.2	142.1	124.6	-66.9	-172.1	173.7	-172.3	0	120.8
234	S	27.9	Very low	29.9	Very low	115 Å²	115	179.8 Å²	179.8	80%	0.804	83%	0.83	S	S	*	*			trans	83	141.4	164.3	-32.6	0	0	0	0	114.3
235	R	29.7	Very low	30.7	Very low	239 Å²	239	178.2 Å²	178.2	90%	0.902	83%	0.834	S	S	*	*			cis	-150.8	153.6	-1.9	-151.1	165.4	169	159.2	-8.2	111.2
236	K	30.9	Very low	31.8	Very low	186 Å²	186	179.7 Å²	179.7	81%	0.809	83%	0.825	S	S	*	*			trans	-39.3	158	164.9	-61.8	171.1	176.7	175.2	0	113.3
237	K	30.2	Very low	33.4	Very low	191 Å²	191	174 Å²	174	83%	0.83	81%	0.807	S	S	*	*			cis	-170.4	170.8	16.9	-138.1	179.3	178.4	-165.6	0	112.2
238	A	31.7	Very low	34.9	Very low	80 Å²	80	172.7 Å²	172.7	66%	0.661	80%	0.802	S	S	*	*			trans	73.5	158.4	155.8	0	0	0	0	0	116.7
239	Y	27.7	Very low	36.4	Very low	235 Å²	235	171.7 Å²	171.7	92%	0.922	80%	0.798	S	S	*	*			cis	-116.1	174.9	6.9	-112.5	-93.6	0	0	0	114.3
240	R	31.6	Very low	37.8	Very low	230 Å²	230	163.9 Å²	163.9	87%	0.868	77%	0.773	S	S	*	*			trans	-120	141.1	-177	-174.4	-173.4	-170	-170.8	3.9	109.4
241	K	31.2	Very low	39.6	Very low	203 Å²	203	159.7 Å²	159.7	88%	0.883	76%	0.757	S	S	*	*			trans	-137.5	166.3	164.3	-113.9	-178.3	178.2	-178	0	109.8
242	E	32.8	Very low	41.5	Very low	188 Å²	188	161.9 Å²	161.9	88%	0.879	75%	0.747	S	S	*	*			trans	-102.1	149.2	-156.2	-63	160.1	134.6	0	0	113.5
243	E	34.2	Very low	43.4	Very low	189 Å²	189	160.2 Å²	160.2	88%	0.883	74%	0.735	S	S	*	*			trans	-104	157.2	177.3	-64.7	177.4	122.5	0	0	111.2
244	K	39.2	Very low	45.3	Very low	190 Å²	190	158.1 Å²	158.1	83%	0.826	72%	0.722	S	S	*	*			trans	-106.7	148.9	167.4	-75.9	-174.6	176.8	-178.8	0	109.7	I246	K244-I246 PolarHBondContact O-N 2.94Å
245	P	47.1	Very low	47.4	Very low	130 Å²	130	157.6 Å²	157.6	84%	0.844	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-67.3	132.1	-172.8	27	-34.9	0	0	0	112.2
246	I	50.9	Low	49.5	Very low	101 Å²	101	148.7 Å²	148.7	52%	0.518	68%	0.684	S	S	.	*	P	Polyproline II helix	trans	-87.4	148.8	174.9	-64.5	175.8	0	0	0	108.8	K244 D250	K244-I246 PolarHBondContact O-N 2.94Å; I246-D250 HydrophobicContact CG2-CB 3.62Å
247	T	64.7	Low	51.3	Low	82 Å²	82	147.3 Å²	147.3	50%	0.503	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-86.9	151.3	179.6	86.7	0	0	0	0	111.8	K249 D250 E251	T247-K249 PolarHBondContact O-N 3.48Å; T247-K249 VanDerWaalsContact O-N 3.07Å; T247-D250 WeakPolarHBondContact CB-OD2 3.38Å; T247-D250 PolarHBondContact N-OD2 3Å; T247-D250 WeakPolarHBondContact O-CB 3.28Å; T247-D250 PolarHBondContact O-N 3.5Å; T247-D250 PolarHBondContact OG1-OD2 2.97Å; T247-E251 PolarHBondContact O-N 2.96Å
248	R	60	Low	53.3	Low	199 Å²	199	143.3 Å²	143.3	75%	0.751	66%	0.659	S	S	*	*	H	α-helix	trans	-56.7	-29.3	-174.8	-151.1	174	-170.3	171.1	1.2	114	E251 E252	R248-E251 PolarHBondContact O-N 3.05Å; R248-E252 WeakPolarHBondContact O-CG 3.44Å; R248-E252 PolarHBondContact O-N 3Å; R248-E252 VanDerWaalsContact O-N 3.1Å
249	K	58.9	Low	55.5	Low	158 Å²	158	146.3 Å²	146.3	69%	0.687	66%	0.659	S	S	*	*	H	α-helix	trans	-73.3	-27	175.3	-82	-173.3	170.9	-177.1	0	113.8	T247 R253	T247-K249 PolarHBondContact O-N 3.48Å; T247-K249 VanDerWaalsContact O-N 3.07Å; K249-R253 VanDerWaalsContact O-CB 3.29Å; K249-R253 WeakPolarHBondContact O-CB 3.3Å; K249-R253 PolarHBondContact O-N 2.81Å
250	D	56.6	Low	57.9	Low	62 Å²	62	141.3 Å²	141.3	33%	0.332	64%	0.642	S	S	.	*	H	α-helix	trans	-77.5	-34.3	175.3	-51.8	-55.9	0	0	0	110	I246 T247 R253 R254	I246-D250 HydrophobicContact CG2-CB 3.62Å; T247-D250 WeakPolarHBondContact CB-OD2 3.38Å; T247-D250 PolarHBondContact N-OD2 3Å; T247-D250 WeakPolarHBondContact O-CB 3.28Å; T247-D250 PolarHBondContact O-N 3.5Å; T247-D250 PolarHBondContact OG1-OD2 2.97Å; D250-R253 PolarHBondContact O-N 3.13Å; D250-R254 VanDerWaalsContact O-CG 3.3Å; D250-R254 WeakPolarHBondContact O-CG 3.47Å; D250-R254 PolarHBondContact O-N 3.42Å
251	E	63.6	Low	60.1	Low	118 Å²	118	137.2 Å²	137.2	55%	0.551	63%	0.633	S	S	*	*	H	α-helix	trans	-66.2	-49.9	175.9	-158.2	166.8	-133.5	0	0	111.5	T247 R248 R253 R254 L255	T247-E251 PolarHBondContact O-N 2.96Å; R248-E251 PolarHBondContact O-N 3.05Å; E251-R253 VanDerWaalsContact C-N 3.28Å; E251-R253 PolarHBondContact O-N 3.2Å; E251-R254 PolarHBondContact O-N 2.88Å; E251-L255 PolarHBondContact O-N 3.47Å; E251-L255 VanDerWaalsContact O-N 3.09Å
252	E	67.8	Low	62.2	Low	120 Å²	120	132 Å²	132	56%	0.561	61%	0.614	S	S	*	*	H	α-helix	trans	-56.5	-39.8	170.7	-72.3	168.4	175.2	0	0	112.3	R248 S256	R248-E252 WeakPolarHBondContact O-CG 3.44Å; R248-E252 PolarHBondContact O-N 3Å; R248-E252 VanDerWaalsContact O-N 3.1Å; E252-S256 PolarHBondContact O-N 2.81Å; E252-S256 VanDerWaalsContact O-N 3.11Å
253	R	67.7	Low	64.4	Low	160 Å²	160	128.2 Å²	128.2	60%	0.604	60%	0.597	S	S	*	*	H	α-helix	trans	-68	-38	178	-172.8	-179	-65.1	-178.9	-0.8	112.2	K249 D250 E251 S256 Y257	K249-R253 VanDerWaalsContact O-CB 3.29Å; K249-R253 WeakPolarHBondContact O-CB 3.3Å; K249-R253 PolarHBondContact O-N 2.81Å; D250-R253 PolarHBondContact O-N 3.13Å; E251-R253 VanDerWaalsContact C-N 3.28Å; E251-R253 PolarHBondContact O-N 3.2Å; R253-S256 PolarHBondContact O-N 2.91Å; R253-Y257 HydrophobicContact CG-CD2 4.15Å; R253-Y257 HydrophobicContact CG-CE2 4.01Å; R253-Y257 VanDerWaalsContact O-CD2 3.3Å; R253-Y257 WeakPolarHBondContact O-CD2 3.47Å; R253-Y257 PolarHBondContact O-N 3.15Å
254	R	67.5	Low	66.6	Low	145 Å²	145	121.9 Å²	121.9	55%	0.547	58%	0.577	S	S	.	*	H	α-helix	trans	-65.6	-46.2	176.7	-74.7	174.7	75.7	174.6	4.8	111.4	D250 E251 S256 Y257 E258	D250-R254 VanDerWaalsContact O-CG 3.3Å; D250-R254 WeakPolarHBondContact O-CG 3.47Å; D250-R254 PolarHBondContact O-N 3.42Å; E251-R254 PolarHBondContact O-N 2.88Å; R254-S256 VanDerWaalsContact C-N 3.28Å; R254-S256 PolarHBondContact O-N 3.23Å; R254-Y257 PolarHBondContact O-N 2.75Å; R254-E258 PolarHBondContact O-N 3.2Å
255	L	71.9	Confident	68.5	Low	103 Å²	103	118.7 Å²	118.7	54%	0.539	57%	0.565	S	S	.	*	H	α-helix	trans	-57.7	-40.6	174.9	-68.2	167.9	0	0	0	111.8	E251 Y257 E258 E259	E251-L255 PolarHBondContact O-N 3.47Å; E251-L255 VanDerWaalsContact O-N 3.09Å; L255-Y257 VanDerWaalsContact C-N 3.28Å; L255-Y257 PolarHBondContact O-N 3.28Å; L255-E258 PolarHBondContact O-N 2.9Å; L255-E259 WeakPolarHBondContact O-CB 3.48Å; L255-E259 PolarHBondContact O-N 2.75Å
256	S	74.4	Confident	70.2	Confident	52 Å²	52	118.6 Å²	118.6	36%	0.364	55%	0.551	S	S	.	*	H	α-helix	trans	-68.7	-20.5	175.6	-172.6	0	0	0	0	114.5	E252 R253 R254 K260	E252-S256 PolarHBondContact O-N 2.81Å; E252-S256 VanDerWaalsContact O-N 3.11Å; R253-S256 PolarHBondContact O-N 2.91Å; R254-S256 VanDerWaalsContact C-N 3.28Å; R254-S256 PolarHBondContact O-N 3.23Å; S256-K260 WeakPolarHBondContact O-CD 3.46Å; S256-K260 WeakPolarHBondContact O-CG 3.41Å
257	Y	67.8	Low	71.6	Confident	158 Å²	158	119.6 Å²	119.6	62%	0.62	55%	0.554	S	S	*	*	H	α-helix	trans	-82.4	-47.1	170.1	-87.5	-70.8	0	0	0	111.3	R253 R254 L255 E259 K260 E261	R253-Y257 HydrophobicContact CG-CD2 4.15Å; R253-Y257 HydrophobicContact CG-CE2 4.01Å; R253-Y257 VanDerWaalsContact O-CD2 3.3Å; R253-Y257 WeakPolarHBondContact O-CD2 3.47Å; R253-Y257 PolarHBondContact O-N 3.15Å; R254-Y257 PolarHBondContact O-N 2.75Å; L255-Y257 VanDerWaalsContact C-N 3.28Å; L255-Y257 PolarHBondContact O-N 3.28Å; Y257-E259 VanDerWaalsContact C-N 3.31Å; Y257-E259 PolarHBondContact O-N 3.3Å; Y257-K260 PolarHBondContact O-N 3.19Å; Y257-K260 VanDerWaalsContact O-N 3.14Å; Y257-E261 PolarHBondContact O-N 3.45Å
258	E	71.3	Confident	72.4	Confident	106 Å²	106	120 Å²	120	50%	0.495	55%	0.55	S	S	.	.	H	α-helix	trans	-58.5	-40.6	177.4	-70	175.8	155.2	0	0	111.9	R254 L255 K260 E261 L262	R254-E258 PolarHBondContact O-N 3.2Å; L255-E258 PolarHBondContact O-N 2.9Å; E258-K260 VanDerWaalsContact C-N 3.33Å; E258-K260 PolarHBondContact O-N 3.2Å; E258-E261 PolarHBondContact O-N 3.04Å; E258-L262 VanDerWaalsContact O-CB 3.23Å; E258-L262 WeakPolarHBondContact O-CB 3.32Å; E258-L262 PolarHBondContact O-N 3.12Å
259	E	78.5	Confident	73.4	Confident	143 Å²	143	114.6 Å²	114.6	67%	0.668	54%	0.535	S	S	*	.	H	α-helix	trans	-66	-33.2	177.8	-171.4	168.7	-135.7	0	0	112.9	L255 Y257 Q263	L255-E259 WeakPolarHBondContact O-CB 3.48Å; L255-E259 PolarHBondContact O-N 2.75Å; Y257-E259 VanDerWaalsContact C-N 3.31Å; Y257-E259 PolarHBondContact O-N 3.3Å; E259-Q263 WeakPolarHBondContact O-CB 3.34Å; E259-Q263 PolarHBondContact O-N 3.23Å; E259-Q263 VanDerWaalsContact O-N 3.14Å
260	K	78.8	Confident	74.5	Confident	130 Å²	130	111.1 Å²	111.1	57%	0.565	52%	0.524	S	S	*	.	H	α-helix	trans	-74.8	-41.7	174.9	-73.1	173.3	-175.6	170.4	0	112.3	S256 Y257 E258 L262 Q263 A264	S256-K260 WeakPolarHBondContact O-CD 3.46Å; S256-K260 WeakPolarHBondContact O-CG 3.41Å; Y257-K260 PolarHBondContact O-N 3.19Å; Y257-K260 VanDerWaalsContact O-N 3.14Å; E258-K260 VanDerWaalsContact C-N 3.33Å; E258-K260 PolarHBondContact O-N 3.2Å; K260-L262 VanDerWaalsContact C-N 3.33Å; K260-Q263 PolarHBondContact O-N 2.95Å; K260-Q263 VanDerWaalsContact O-N 3.16Å; K260-A264 PolarHBondContact O-N 2.72Å
261	E	76.4	Confident	75.8	Confident	145 Å²	145	112.4 Å²	112.4	68%	0.678	53%	0.527	S	S	*	.	H	α-helix	trans	-61.2	-44.8	176.8	-169.2	166.9	-151.9	0	0	110.4	Y257 E258 Q263 A264 E265	Y257-E261 PolarHBondContact O-N 3.45Å; E258-E261 PolarHBondContact O-N 3.04Å; E261-Q263 VanDerWaalsContact C-N 3.26Å; E261-Q263 PolarHBondContact O-N 3.4Å; E261-A264 PolarHBondContact O-N 3.46Å; E261-E265 PolarHBondContact O-N 2.58Å
262	L	76.8	Confident	76.6	Confident	92 Å²	92	111.2 Å²	111.2	48%	0.482	52%	0.522	S	S	.	.	H	α-helix	trans	-72.9	-13	176.3	-164.6	139.6	0	0	0	113.8	E258 K260 K266	E258-L262 VanDerWaalsContact O-CB 3.23Å; E258-L262 WeakPolarHBondContact O-CB 3.32Å; E258-L262 PolarHBondContact O-N 3.12Å; K260-L262 VanDerWaalsContact C-N 3.33Å; L262-K266 VanDerWaalsContact CD2-NZ 3.28Å; L262-K266 WeakPolarHBondContact O-CD 3.33Å; L262-K266 WeakPolarHBondContact O-CE 3.32Å; L262-K266 WeakPolarHBondContact O-CG 3.35Å
263	Q	79.3	Confident	77.4	Confident	109 Å²	109	111.7 Å²	111.7	51%	0.509	52%	0.524	S	S	.	.	H	α-helix	trans	-85.8	-42.1	167.3	-176.1	167.8	-21.9	0	0	111.7	E259 K260 E261 E265 K266 E267	E259-Q263 WeakPolarHBondContact O-CB 3.34Å; E259-Q263 PolarHBondContact O-N 3.23Å; E259-Q263 VanDerWaalsContact O-N 3.14Å; K260-Q263 PolarHBondContact O-N 2.95Å; K260-Q263 VanDerWaalsContact O-N 3.16Å; E261-Q263 VanDerWaalsContact C-N 3.26Å; E261-Q263 PolarHBondContact O-N 3.4Å; Q263-E265 VanDerWaalsContact C-N 3.34Å; Q263-E265 PolarHBondContact O-N 2.89Å; Q263-K266 WeakPolarHBondContact O-CB 3.23Å; Q263-K266 PolarHBondContact O-N 2.64Å; Q263-E267 PolarHBondContact O-N 3.13Å; Q263-E267 VanDerWaalsContact O-N 3.13Å
264	A	79	Confident	78.1	Confident	57 Å²	57	110.4 Å²	110.4	47%	0.471	52%	0.523	S	S	.	.	H	α-helix	trans	-61.6	-40.8	174.8	0	0	0	0	0	112.1	K260 E261 K266 E267 E268	K260-A264 PolarHBondContact O-N 2.72Å; E261-A264 PolarHBondContact O-N 3.46Å; A264-K266 VanDerWaalsContact C-N 3.29Å; A264-K266 PolarHBondContact O-N 2.89Å; A264-E267 PolarHBondContact O-N 2.76Å; A264-E267 VanDerWaalsContact O-N 3.14Å; A264-E268 PolarHBondContact O-N 3.41Å; A264-E268 VanDerWaalsContact O-N 3.08Å
265	E	80.1	Confident	78.8	Confident	122 Å²	122	108 Å²	108	57%	0.57	52%	0.518	S	S	*	.	H	α-helix	trans	-58.9	-39.5	174.5	-170.6	-177.7	-158.6	0	0	111.9	E261 Q263 I269	E261-E265 PolarHBondContact O-N 2.58Å; Q263-E265 VanDerWaalsContact C-N 3.34Å; Q263-E265 PolarHBondContact O-N 2.89Å; E265-I269 HydrophobicContact CG-CD1 4.04Å; E265-I269 WeakPolarHBondContact O-CB 3.49Å; E265-I269 WeakPolarHBondContact O-CD1 3.46Å; E265-I269 VanDerWaalsContact O-CG1 3.24Å; E265-I269 WeakPolarHBondContact O-CG1 3.41Å; E265-I269 PolarHBondContact O-N 2.91Å
266	K	81.4	Confident	79.1	Confident	129 Å²	129	111 Å²	111	56%	0.561	52%	0.522	S	S	*	.	H	α-helix	trans	-68.1	-33.6	176.1	-71.1	168.8	-173.1	164.7	0	112.9	L262 Q263 A264 N270	L262-K266 VanDerWaalsContact CD2-NZ 3.28Å; L262-K266 WeakPolarHBondContact O-CD 3.33Å; L262-K266 WeakPolarHBondContact O-CE 3.32Å; L262-K266 WeakPolarHBondContact O-CG 3.35Å; Q263-K266 WeakPolarHBondContact O-CB 3.23Å; Q263-K266 PolarHBondContact O-N 2.64Å; A264-K266 VanDerWaalsContact C-N 3.29Å; A264-K266 PolarHBondContact O-N 2.89Å; K266-N270 VanDerWaalsContact O-CB 3.27Å; K266-N270 WeakPolarHBondContact O-CB 3.38Å; K266-N270 PolarHBondContact O-N 3.3Å
267	E	81.3	Confident	79.4	Confident	122 Å²	122	113.9 Å²	113.9	57%	0.57	53%	0.531	S	S	*	.	H	α-helix	trans	-71	-41.5	178.1	-72.8	178.6	-172.1	0	0	111.4	Q263 A264 N270 K271	Q263-E267 PolarHBondContact O-N 3.13Å; Q263-E267 VanDerWaalsContact O-N 3.13Å; A264-E267 PolarHBondContact O-N 2.76Å; A264-E267 VanDerWaalsContact O-N 3.14Å; E267-N270 PolarHBondContact O-N 2.85Å; E267-K271 WeakPolarHBondContact O-CB 3.46Å; E267-K271 PolarHBondContact O-N 3.43Å
268	E	82.4	Confident	79.8	Confident	90 Å²	90	115.2 Å²	115.2	42%	0.421	54%	0.535	S	S	.	.	H	α-helix	trans	-66.5	-38.3	171.8	-85.1	-63.6	142.8	0	0	113	A264 N270 K271 M272	A264-E268 PolarHBondContact O-N 3.41Å; A264-E268 VanDerWaalsContact O-N 3.08Å; E268-N270 PolarHBondContact O-N 2.9Å; E268-K271 WeakPolarHBondContact O-CB 3.45Å; E268-K271 PolarHBondContact O-N 2.92Å; E268-K271 IonicContact OE1-NZ 3.2Å; E268-K271 PolarHBondContact OE1-NZ 2.88Å; E268-K271 IonicContact OE2-NZ 3.3Å; E268-K271 PolarHBondContact OE2-NZ 3.05Å; E268-M272 HydrophobicContact CB-CE 4.45Å; E268-M272 WeakPolarHBondContact O-CE 3.38Å; E268-M272 PolarHBondContact O-N 3.07Å
269	I	80.6	Confident	80.1	Confident	86 Å²	86	115.4 Å²	115.4	44%	0.441	54%	0.536	S	S	.	.	H	α-helix	trans	-60.5	-44.8	173.1	-71.3	166.7	0	0	0	111.1	E265 K271 M272 E273	E265-I269 HydrophobicContact CG-CD1 4.04Å; E265-I269 WeakPolarHBondContact O-CB 3.49Å; E265-I269 WeakPolarHBondContact O-CD1 3.46Å; E265-I269 VanDerWaalsContact O-CG1 3.24Å; E265-I269 WeakPolarHBondContact O-CG1 3.41Å; E265-I269 PolarHBondContact O-N 2.91Å; I269-K271 VanDerWaalsContact C-N 3.31Å; I269-K271 PolarHBondContact O-N 2.84Å; I269-M272 HydrophobicContact CG1-CE 4.46Å; I269-M272 PolarHBondContact O-N 3.2Å; I269-E273 WeakPolarHBondContact O-CB 3.43Å; I269-E273 PolarHBondContact O-N 3.26Å
270	N	82.3	Confident	80	Confident	84 Å²	84	116.1 Å²	116.1	45%	0.449	53%	0.533	S	S	.	.	H	α-helix	trans	-67.8	-30	178.4	-167.9	-16.3	0	0	0	112.1	K266 E267 E268 K274	K266-N270 VanDerWaalsContact O-CB 3.27Å; K266-N270 WeakPolarHBondContact O-CB 3.38Å; K266-N270 PolarHBondContact O-N 3.3Å; E267-N270 PolarHBondContact O-N 2.85Å; E268-N270 PolarHBondContact O-N 2.9Å; N270-K274 WeakPolarHBondContact O-CG 3.39Å; N270-K274 PolarHBondContact O-N 2.82Å; N270-K274 VanDerWaalsContact O-N 3.11Å; N270-K274 WeakPolarHBondContact OD1-CE 3.42Å
271	K	83.8	Confident	80	Confident	90 Å²	90	113.1 Å²	113.1	39%	0.391	53%	0.525	S	S	.	.	H	α-helix	trans	-69.1	-51.1	172.2	178.4	177.9	147.2	-128.3	0	111.8	E267 E268 I269 E273 K274 E275	E267-K271 WeakPolarHBondContact O-CB 3.46Å; E267-K271 PolarHBondContact O-N 3.43Å; E268-K271 WeakPolarHBondContact O-CB 3.45Å; E268-K271 PolarHBondContact O-N 2.92Å; E268-K271 IonicContact OE1-NZ 3.2Å; E268-K271 PolarHBondContact OE1-NZ 2.88Å; E268-K271 IonicContact OE2-NZ 3.3Å; E268-K271 PolarHBondContact OE2-NZ 3.05Å; I269-K271 VanDerWaalsContact C-N 3.31Å; I269-K271 PolarHBondContact O-N 2.84Å; K271-E273 VanDerWaalsContact C-N 3.26Å; K271-E273 PolarHBondContact O-N 3.36Å; K271-K274 WeakPolarHBondContact O-CB 3.09Å; K271-K274 PolarHBondContact O-N 2.97Å; K271-K274 VanDerWaalsContact O-N 3.08Å; K271-E275 PolarHBondContact O-N 3.37Å
272	M	79	Confident	79.9	Confident	92 Å²	92	111.8 Å²	111.8	45%	0.453	52%	0.519	S	S	.	.	H	α-helix	trans	-59.5	-34.5	174.4	-76.4	-176.1	-84.6	0	0	112.9	E268 I269 R276	E268-M272 HydrophobicContact CB-CE 4.45Å; E268-M272 WeakPolarHBondContact O-CE 3.38Å; E268-M272 PolarHBondContact O-N 3.07Å; I269-M272 HydrophobicContact CG1-CE 4.46Å; I269-M272 PolarHBondContact O-N 3.2Å; M272-R276 PolarHBondContact O-N 3.08Å; M272-R276 VanDerWaalsContact O-N 3.12Å
273	E	84.6	Confident	79.5	Confident	130 Å²	130	114 Å²	114	61%	0.607	53%	0.527	S	S	*	.	H	α-helix	trans	-71.8	-32.9	176	-168.8	159.2	-136	0	0	112.2	I269 K271 M277	I269-E273 WeakPolarHBondContact O-CB 3.43Å; I269-E273 PolarHBondContact O-N 3.26Å; K271-E273 VanDerWaalsContact C-N 3.26Å; K271-E273 PolarHBondContact O-N 3.36Å; E273-M277 VanDerWaalsContact O-CG 3.23Å; E273-M277 WeakPolarHBondContact O-CG 3.45Å; E273-M277 PolarHBondContact O-N 2.97Å; E273-M277 VanDerWaalsContact O-N 3.13Å
274	K	83.5	Confident	78.8	Confident	133 Å²	133	114.8 Å²	114.8	58%	0.578	53%	0.531	S	S	*	.	H	α-helix	trans	-70.2	-37.9	171.1	-76.8	170.5	-177.6	171.6	0	113.3	N270 K271 M277 R278	N270-K274 WeakPolarHBondContact O-CG 3.39Å; N270-K274 PolarHBondContact O-N 2.82Å; N270-K274 VanDerWaalsContact O-N 3.11Å; N270-K274 WeakPolarHBondContact OD1-CE 3.42Å; K271-K274 WeakPolarHBondContact O-CB 3.09Å; K271-K274 PolarHBondContact O-N 2.97Å; K271-K274 VanDerWaalsContact O-N 3.08Å; K274-M277 PolarHBondContact O-N 3.19Å; K274-R278 PolarHBondContact O-N 3.01Å; K274-R278 VanDerWaalsContact O-N 3.12Å
275	E	80.7	Confident	78	Confident	95 Å²	95	118.1 Å²	118.1	44%	0.444	54%	0.536	S	S	.	.	H	α-helix	trans	-63.8	-47	175.6	-74.7	166.5	164.9	0	0	110.4	K271 M277 R278 E279	K271-E275 PolarHBondContact O-N 3.37Å; E275-M277 PolarHBondContact O-N 2.93Å; E275-R278 WeakPolarHBondContact O-CA 3.4Å; E275-R278 WeakPolarHBondContact O-CB 3.42Å; E275-R278 PolarHBondContact O-N 3.07Å; E275-E279 PolarHBondContact O-N 3.25Å
276	R	80.1	Confident	76.8	Confident	165 Å²	165	118.1 Å²	118.1	62%	0.623	54%	0.54	S	S	*	.	H	α-helix	trans	-62.3	-24.7	172.8	-75.6	178.9	173	163.4	5.9	115.4	M272 E279 R280	M272-R276 PolarHBondContact O-N 3.08Å; M272-R276 VanDerWaalsContact O-N 3.12Å; R276-E279 WeakPolarHBondContact CA-OE2 3.08Å; R276-E279 WeakPolarHBondContact CG-OE2 3.19Å; R276-R280 WeakPolarHBondContact O-CG 3.18Å; R276-R280 PolarHBondContact O-N 2.99Å
277	M	79.8	Confident	75.2	Confident	114 Å²	114	117.4 Å²	117.4	56%	0.562	54%	0.538	S	S	*	.	H	α-helix	trans	-79.3	-20.7	172.1	-75.5	-71	-66.3	0	0	112.5	E273 K274 E275 V281	E273-M277 VanDerWaalsContact O-CG 3.23Å; E273-M277 WeakPolarHBondContact O-CG 3.45Å; E273-M277 PolarHBondContact O-N 2.97Å; E273-M277 VanDerWaalsContact O-N 3.13Å; K274-M277 PolarHBondContact O-N 3.19Å; E275-M277 PolarHBondContact O-N 2.93Å; M277-V281 WeakPolarHBondContact O-CG2 3.38Å
278	R	77.1	Confident	73.7	Confident	185 Å²	185	120.5 Å²	120.5	70%	0.698	55%	0.546	S	S	*	.	H	α-helix	trans	-81	-48	170.4	-71.4	178	170.5	-164.6	-5.2	111.7	K274 E275 R280 V281 E282	K274-R278 PolarHBondContact O-N 3.01Å; K274-R278 VanDerWaalsContact O-N 3.12Å; E275-R278 WeakPolarHBondContact O-CA 3.4Å; E275-R278 WeakPolarHBondContact O-CB 3.42Å; E275-R278 PolarHBondContact O-N 3.07Å; R278-R280 PolarHBondContact O-N 2.63Å; R278-R280 VanDerWaalsContact O-N 3.16Å; R278-V281 WeakPolarHBondContact O-CA 3.24Å; R278-V281 PolarHBondContact O-N 2.88Å; R278-E282 PolarHBondContact O-N 3.47Å
279	E	76.5	Confident	71.9	Confident	111 Å²	111	123.8 Å²	123.8	52%	0.519	56%	0.561	S	S	.	*	H	α-helix	trans	-49.8	-44.1	175.7	-67.1	172.8	151.1	0	0	110.9	E275 R276 V281 E282 E283	E275-E279 PolarHBondContact O-N 3.25Å; R276-E279 WeakPolarHBondContact CA-OE2 3.08Å; R276-E279 WeakPolarHBondContact CG-OE2 3.19Å; E279-V281 PolarHBondContact O-N 2.95Å; E279-E282 PolarHBondContact O-N 3.01Å; E279-E283 WeakPolarHBondContact O-CB 3.27Å; E279-E283 WeakPolarHBondContact O-CG 3.18Å; E279-E283 PolarHBondContact O-N 3.21Å
280	R	77	Confident	69.9	Low	157 Å²	157	123.4 Å²	123.4	59%	0.592	57%	0.566	S	S	*	*	H	α-helix	trans	-69.5	-24.2	176.7	-78.2	178.6	173.5	177	-0.3	115.8	R276 R278 Q284	R276-R280 WeakPolarHBondContact O-CG 3.18Å; R276-R280 PolarHBondContact O-N 2.99Å; R278-R280 PolarHBondContact O-N 2.63Å; R278-R280 VanDerWaalsContact O-N 3.16Å; R280-Q284 WeakPolarHBondContact O-CB 3.19Å; R280-Q284 VanDerWaalsContact O-CG 3.28Å; R280-Q284 WeakPolarHBondContact O-CG 3.44Å; R280-Q284 PolarHBondContact O-N 3.41Å
281	V	78.4	Confident	67.9	Low	67 Å²	67	127.7 Å²	127.7	41%	0.406	58%	0.577	S	S	.	*	H	α-helix	trans	-79.8	-42.4	174.8	168.7	0	0	0	0	109.1	M277 R278 E279 E283 Q284 E285	M277-V281 WeakPolarHBondContact O-CG2 3.38Å; R278-V281 WeakPolarHBondContact O-CA 3.24Å; R278-V281 PolarHBondContact O-N 2.88Å; E279-V281 PolarHBondContact O-N 2.95Å; V281-E283 PolarHBondContact O-N 3.38Å; V281-Q284 CarbonylContact O-C 3.55Å; V281-Q284 WeakPolarHBondContact O-CA 3.46Å; V281-Q284 PolarHBondContact O-N 2.83Å; V281-E285 HydrophobicContact CG1-CG 4.37Å; V281-E285 WeakPolarHBondContact O-CG 3.5Å; V281-E285 PolarHBondContact O-N 3.21Å
282	E	74	Confident	65.8	Low	118 Å²	118	132.5 Å²	132.5	55%	0.551	60%	0.601	S	S	*	*	H	α-helix	trans	-61.4	-42.7	172.7	-68.5	172.4	131.3	0	0	111.4	R278 E279 Q284 E285 L286	R278-E282 PolarHBondContact O-N 3.47Å; E279-E282 PolarHBondContact O-N 3.01Å; E282-Q284 PolarHBondContact O-N 2.98Å; E282-E285 PolarHBondContact O-N 3.15Å; E282-L286 WeakPolarHBondContact O-CB 3.11Å; E282-L286 VanDerWaalsContact O-CG 3.3Å; E282-L286 WeakPolarHBondContact O-CG 3.26Å; E282-L286 PolarHBondContact O-N 2.8Å
283	E	68.4	Low	64.1	Low	137 Å²	137	137.2 Å²	137.2	64%	0.64	62%	0.622	S	S	*	*	H	α-helix	trans	-59.8	-30.7	171.2	-77.4	-175.5	148.8	0	0	113.3	E279 V281 Q287	E279-E283 WeakPolarHBondContact O-CB 3.27Å; E279-E283 WeakPolarHBondContact O-CG 3.18Å; E279-E283 PolarHBondContact O-N 3.21Å; V281-E283 PolarHBondContact O-N 3.38Å; E283-Q287 WeakPolarHBondContact O-CB 3.5Å; E283-Q287 PolarHBondContact O-N 3.42Å
284	Q	65.3	Low	61.9	Low	127 Å²	127	138.7 Å²	138.7	59%	0.593	63%	0.634	S	S	*	*	H	α-helix	trans	-84.6	-34.5	178.6	-78.7	-171.2	-42.2	0	0	113.3	R280 V281 E282 Q287 Y288	R280-Q284 WeakPolarHBondContact O-CB 3.19Å; R280-Q284 VanDerWaalsContact O-CG 3.28Å; R280-Q284 WeakPolarHBondContact O-CG 3.44Å; R280-Q284 PolarHBondContact O-N 3.41Å; V281-Q284 CarbonylContact O-C 3.55Å; V281-Q284 WeakPolarHBondContact O-CA 3.46Å; V281-Q284 PolarHBondContact O-N 2.83Å; E282-Q284 PolarHBondContact O-N 2.98Å; Q284-Q287 PolarHBondContact O-N 2.73Å; Q284-Y288 PolarHBondContact O-N 3.02Å; Q284-Y288 VanDerWaalsContact O-N 3.15Å
285	E	61.5	Low	59.8	Low	126 Å²	126	139.6 Å²	139.6	59%	0.589	65%	0.646	S	S	*	*	H	α-helix	trans	-68.4	-46.1	175.1	-72	178.1	163.6	0	0	110.4	V281 E282 Q287 Y288 E289	V281-E285 HydrophobicContact CG1-CG 4.37Å; V281-E285 WeakPolarHBondContact O-CG 3.5Å; V281-E285 PolarHBondContact O-N 3.21Å; E282-E285 PolarHBondContact O-N 3.15Å; E285-Q287 PolarHBondContact O-N 3.47Å; E285-Y288 PolarHBondContact O-N 2.99Å; E285-E289 PolarHBondContact O-N 2.85Å
286	L	55.3	Low	57.9	Low	123 Å²	123	140.2 Å²	140.2	64%	0.644	66%	0.66	S	S	*	*	H	α-helix	trans	-59.8	-28.9	172.8	-71.7	169.7	0	0	0	113.2	E282	E282-L286 WeakPolarHBondContact O-CB 3.11Å; E282-L286 VanDerWaalsContact O-CG 3.3Å; E282-L286 WeakPolarHBondContact O-CG 3.26Å; E282-L286 PolarHBondContact O-N 2.8Å
287	Q	48.5	Very low	55.9	Low	113 Å²	113	140.5 Å²	140.5	53%	0.528	67%	0.673	S	S	.	*	H	α-helix	trans	-79.4	-23.3	174.9	-175.8	157.5	61.4	0	0	113	E283 Q284 E285 S290 Y291	E283-Q287 WeakPolarHBondContact O-CB 3.5Å; E283-Q287 PolarHBondContact O-N 3.42Å; Q284-Q287 PolarHBondContact O-N 2.73Å; E285-Q287 PolarHBondContact O-N 3.47Å; Q287-S290 PolarHBondContact O-OG 3.47Å; Q287-Y291 HydrophobicContact CG-CE2 4.06Å; Q287-Y291 WeakPolarHBondContact O-CD2 3.41Å; Q287-Y291 WeakPolarHBondContact O-CE2 3.11Å
288	Y	48.2	Very low	53.7	Low	188 Å²	188	147 Å²	147	74%	0.737	69%	0.692	S	S	*	*	H	α-helix	trans	-78.6	-38.3	175.6	-103.7	-89.2	0	0	0	112.4	Q284 E285 S290 Y291	Q284-Y288 PolarHBondContact O-N 3.02Å; Q284-Y288 VanDerWaalsContact O-N 3.15Å; E285-Y288 PolarHBondContact O-N 2.99Å; Y288-S290 PolarHBondContact O-N 3.19Å; Y288-Y291 PolarHBondContact O-N 3Å
289	E	44.6	Very low	51.6	Low	158 Å²	158	141.6 Å²	141.6	74%	0.738	69%	0.693	S	S	*	*	H	α-helix	trans	-63.1	-22	176.8	-65.9	-169	144.2	0	0	112.8	E285 Y291	E285-E289 PolarHBondContact O-N 2.85Å; E289-Y291 VanDerWaalsContact C-N 3.28Å; E289-Y291 PolarHBondContact O-N 2.86Å
290	S	39.2	Very low	49.6	Very low	78 Å²	78	144.4 Å²	144.4	55%	0.545	71%	0.712	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.5	2.9	178.4	69.2	0	0	0	0	116.2	Q287 Y288	Q287-S290 PolarHBondContact O-OG 3.47Å; Y288-S290 PolarHBondContact O-N 3.19Å
291	Y	41.3	Very low	47.5	Very low	174 Å²	174	141.9 Å²	141.9	68%	0.682	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.1	1.2	-171.7	-74.1	-63.8	0	0	0	117	Q287 Y288 E289	Q287-Y291 HydrophobicContact CG-CE2 4.06Å; Q287-Y291 WeakPolarHBondContact O-CD2 3.41Å; Q287-Y291 WeakPolarHBondContact O-CE2 3.11Å; Y288-Y291 PolarHBondContact O-N 3Å; E289-Y291 VanDerWaalsContact C-N 3.28Å; E289-Y291 PolarHBondContact O-N 2.86Å
292	E	39.8	Very low	45.8	Very low	192 Å²	192	148.8 Å²	148.8	90%	0.897	75%	0.749	S	S	*	*	S	Bend	trans	-101.1	-2.4	177.4	-68	-144.9	149	0	0	115.8
293	E	43.2	Very low	43.9	Very low	190 Å²	190	155 Å²	155	89%	0.888	77%	0.767	S	S	*	*	S	Bend	trans	-89.7	-6.1	179.4	-70.7	-155.8	133.3	0	0	116
294	D	38	Very low	42.5	Very low	162 Å²	162	154.8 Å²	154.8	87%	0.866	78%	0.775	S	S	*	*	S	Bend	trans	-125.7	35.1	-170.1	-159.6	28.9	0	0	0	116.4
295	D	39.3	Very low	41.4	Very low	152 Å²	152	154.1 Å²	154.1	81%	0.813	78%	0.782	S	S	*	*			trans	-146.4	87.7	159	-165.1	5.9	0	0	0	113.7
296	S	39.7	Very low	40.8	Very low	108 Å²	108	152.7 Å²	152.7	76%	0.755	78%	0.784	S	S	*	*			trans	-149.1	16.7	173	63.2	0	0	0	0	116.7
297	L	38	Very low	39.9	Very low	170 Å²	170	155 Å²	155	89%	0.89	79%	0.791	S	S	*	*			trans	-129.8	81.9	-179.6	-77.2	-179.7	0	0	0	115.2
298	R	34.6	Very low	39.3	Very low	252 Å²	252	159.2 Å²	159.2	95%	0.951	81%	0.807	S	S	*	*			trans	-149.7	71.6	166.5	-148.5	172.8	-162.5	-116.1	2.8	115.5
299	G	32.9	Very low	39	Very low	70 Å²	70	155.7 Å²	155.7	72%	0.722	81%	0.808	S	S	*	*			trans	177.8	92.2	170.7	0	0	0	0	0	118.9
300	N	34.2	Very low	38.9	Very low	171 Å²	171	155.4 Å²	155.4	91%	0.914	81%	0.81	S	S	*	*			trans	38.6	114.9	145.1	-57.5	-18.3	0	0	0	121.4
301	A	33.1	Very low	39	Very low	103 Å²	103	157.3 Å²	157.3	85%	0.851	82%	0.82	S	S	*	*				-168.6	144.1	116.5	0	0	0	0	0	112.6
302	F	42.2	Very low	39	Very low	212 Å²	212	154.7 Å²	154.7	93%	0.93	82%	0.822	S	S	*	*			trans	-76.6	128.4	171.8	-88	-108.8	0	0	0	111.7
303	R	34.4	Very low	39.1	Very low	249 Å²	249	150.1 Å²	150.1	94%	0.94	81%	0.809	S	S	*	*			trans	-161.3	140	149.6	-112	166.9	-172.5	178.4	2.2	112.4
304	V	38.9	Very low	39	Very low	133 Å²	133	146.9 Å²	146.9	81%	0.806	80%	0.804	S	S	*	*			trans	-135.3	135.7	174	-177.3	0	0	0	0	103.1
305	P	42.1	Very low	39.3	Very low	113 Å²	113	145.7 Å²	145.7	73%	0.734	80%	0.796	S	S	*	*				-148.8	-154.2	52.5	44.1	-22.9	0	0	0	113.4
306	P	50	Low	39.5	Very low	96 Å²	96	147 Å²	147	62%	0.623	80%	0.798	S	S	*	*			cis	-121.5	-169.6	-40.7	19.2	4	0	0	0	112.1
307	H	35.5	Very low	40.1	Very low	172 Å²	172	145.4 Å²	145.4	80%	0.796	78%	0.783	S	S	*	*			trans	70.2	82.4	165.3	-57	-66.6	0	0	0	117.7
308	F	36.9	Very low	41.4	Very low	200 Å²	200	142.5 Å²	142.5	88%	0.877	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-62.8	133	143.7	-76.1	-92.5	0	0	0	109.5
309	P	42.3	Very low	43.4	Very low	114 Å²	114	133.6 Å²	133.6	74%	0.74	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-58.7	142.5	153.4	-17.6	31.8	0	0	0	109.2
310	I	41.2	Very low	45.6	Very low	153 Å²	153	132.1 Å²	132.1	79%	0.785	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-61.2	131.9	169.9	-61.4	167.5	0	0	0	107.2	V312	I310-V312 PolarHBondContact O-N 2.79Å
311	P	42.6	Very low	47.7	Very low	117 Å²	117	129.6 Å²	129.6	76%	0.76	72%	0.722	S	S	*	*			trans	-57.1	114.5	169.1	-21.3	32.7	0	0	0	108.2
312	V	39.8	Very low	50	Low	120 Å²	120	127.3 Å²	127.3	73%	0.727	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-56.6	127.9	170.7	-176.2	0	0	0	0	105.8	I310	I310-V312 PolarHBondContact O-N 2.79Å
313	P	42.6	Very low	52.2	Low	96 Å²	96	118.4 Å²	118.4	62%	0.623	67%	0.672	S	S	*	*	P	Polyproline II helix	trans	-57.2	157.3	178.1	25.6	-34.8	0	0	0	109.5	I315	P313-I315 PolarHBondContact O-N 2.77Å
314	P	41.5	Very low	54.8	Low	121 Å²	121	110 Å²	110	79%	0.786	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-48.7	123.2	169.5	-22.7	32.9	0	0	0	108.1	E316	P314-E316 PolarHBondContact O-N 3.46Å
315	I	44.1	Very low	57.1	Low	137 Å²	137	107.3 Å²	107.3	70%	0.703	63%	0.631	S	S	*	*			trans	-64.7	108.6	171.8	-63.1	175.2	0	0	0	104.4	P313 T317	P313-I315 PolarHBondContact O-N 2.77Å; I315-T317 VanDerWaalsContact C-N 3.25Å; I315-T317 HydrophobicContact CG2-CG2 4.17Å; I315-T317 PolarHBondContact O-N 2.98Å
316	E	43.1	Very low	59.2	Low	181 Å²	181	107.9 Å²	107.9	85%	0.846	63%	0.627	S	S	*	*			trans	-59.2	98.2	165.3	-68.5	-178.5	158.7	0	0	105.8	P314 S318	P314-E316 PolarHBondContact O-N 3.46Å; E316-S318 PolarHBondContact O-N 2.81Å
317	T	53.2	Low	60.9	Low	73 Å²	73	110.6 Å²	110.6	45%	0.448	64%	0.636	S	S	.	*			trans	-74.5	72	-177.2	40.7	0	0	0	0	109	I315 L319	I315-T317 VanDerWaalsContact C-N 3.25Å; I315-T317 HydrophobicContact CG2-CG2 4.17Å; I315-T317 PolarHBondContact O-N 2.98Å; T317-L319 PolarHBondContact O-N 3.03Å; T317-L319 VanDerWaalsContact O-N 3.08Å
318	S	65	Low	63.6	Low	109 Å²	109	104.2 Å²	104.2	76%	0.762	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-46.7	118.7	169.1	58.4	0	0	0	0	108.3	E316	E316-S318 PolarHBondContact O-N 2.81Å
319	L	76.2	Confident	66.2	Low	65 Å²	65	96.8 Å²	96.8	34%	0.34	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-58.3	148.9	-170	-69.7	98.6	0	0	0	111.1	T317 C323 M325 V330	T317-L319 PolarHBondContact O-N 3.03Å; T317-L319 VanDerWaalsContact O-N 3.08Å; L319-C323 HydrophobicContact CB-CB 3.82Å; L319-C323 HydrophobicContact CD2-CB 4.23Å; L319-M325 HydrophobicContact CD1-CG 3.61Å; L319-M325 HydrophobicContact CD1-SD 4.05Å; L319-M325 HydrophobicContact CD2-CG 3.99Å; L319-M325 HydrophobicContact CD2-SD 3.52Å; L319-M325 VanDerWaalsContact CD2-SD 3.52Å; L319-M325 HydrophobicContact CG-CG 4.46Å; L319-M325 HydrophobicContact CG-SD 4.45Å; L319-V330 HydrophobicContact CD2-CG1 4.09Å; L319-V330 HydrophobicContact CD2-CG2 4.24Å
320	P	78.5	Confident	68.7	Low	40 Å²	40	91.4 Å²	91.4	26%	0.26	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-50.4	145	-178.5	-27.2	32	0	0	0	113.2	G322 C323 L337 P341	P320-G322 PolarHBondContact O-N 3.14Å; P320-C323 VanDerWaalsContact O-CB 3.3Å; P320-C323 WeakPolarHBondContact O-CB 3.3Å; P320-C323 PolarHBondContact O-N 3.05Å; P320-L337 HydrophobicContact CB-CD2 3.69Å; P320-L337 HydrophobicContact CG-CD2 3.89Å; P320-P341 HydrophobicContact CG-CB 3.69Å; P320-P341 HydrophobicContact CG-CG 4.14Å
321	S	78.9	Confident	71.3	Confident	118 Å²	118	85.2 Å²	85.2	83%	0.825	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	108.9	178.2	56.5	0	0	0	0	111.2
322	G	80.8	Confident	73.7	Confident	55 Å²	55	79.6 Å²	79.6	57%	0.567	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	116.5	-11.8	-172.7	0	0	0	0	0	114.1	P320	P320-G322 PolarHBondContact O-N 3.14Å
323	C	88.8	Confident	76.3	Confident	24 Å²	24	78 Å²	78	16%	0.162	47%	0.468	C	S	.	.			trans	-80.5	153.5	165.6	-65.4	0	0	0	0	111.8	L319 P320 S331 C332	L319-C323 HydrophobicContact CB-CB 3.82Å; L319-C323 HydrophobicContact CD2-CB 4.23Å; P320-C323 VanDerWaalsContact O-CB 3.3Å; P320-C323 WeakPolarHBondContact O-CB 3.3Å; P320-C323 PolarHBondContact O-N 3.05Å; C323-S331 CarbonylContact C-O 3.57Å; C323-S331 WeakPolarHBondContact CA-O 3.37Å; C323-C332 HydrophobicContact CB-CB 4.06Å; C323-C332 WeakPolarHBondContact CB-SG 3.34Å; C323-C332 WeakPolarHBondContact SG-CB 3.48Å; C323-C332 CovalentContact SG-SG 2.03Å; C323-C332 PolarHBondContact SG-SG 3.3Å
324	S	89.9	Confident	78.7	Confident	72 Å²	72	78.7 Å²	78.7	50%	0.503	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147.7	173.3	57.4	0	0	0	0	110.3	S331	S324-S331 PolarHBondContact N-O 2.82Å; S324-S331 PolarHBondContact O-N 2.7Å; S324-S331 PolarHBondContact OG-O 2.76Å
325	M	87.2	Confident	81.2	Confident	77 Å²	77	73.9 Å²	73.9	38%	0.379	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.8	172.7	-66	-64.2	-72.8	0	0	108.8	L319 T329 V330 L348	L319-M325 HydrophobicContact CD1-CG 3.61Å; L319-M325 HydrophobicContact CD1-SD 4.05Å; L319-M325 HydrophobicContact CD2-CG 3.99Å; L319-M325 HydrophobicContact CD2-SD 3.52Å; L319-M325 VanDerWaalsContact CD2-SD 3.52Å; L319-M325 HydrophobicContact CG-CG 4.46Å; L319-M325 HydrophobicContact CG-SD 4.45Å; M325-T329 WeakPolarHBondContact CA-O 3.34Å; M325-V330 HydrophobicContact CE-CG2 3.96Å; M325-V330 HydrophobicContact SD-CB 4.14Å; M325-V330 HydrophobicContact SD-CG2 3.3Å; M325-V330 WeakPolarHBondContact SD-CG2 3.42Å; M325-L348 HydrophobicContact CE-CD1 4.24Å
326	L	85	Confident	83.5	Confident	125 Å²	125	75.7 Å²	75.7	65%	0.654	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.9	116.9	167.6	-172	69.4	0	0	0	108.9	S328 T329	L326-S328 PolarHBondContact O-N 3.17Å; L326-T329 PolarHBondContact N-O 3.41Å; L326-T329 WeakPolarHBondContact O-CA 3.23Å; L326-T329 WeakPolarHBondContact O-CB 3.42Å; L326-T329 PolarHBondContact O-N 2.97Å
327	D	85.7	Confident	85.9	Confident	153 Å²	153	68 Å²	68	82%	0.818	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.6	-119.6	-172.2	-54	-40.4	0	0	0	111.2	T329	D327-T329 VanDerWaalsContact C-N 3.34Å; D327-T329 PolarHBondContact O-N 3.45Å
328	S	91.6	Very high	87.8	Confident	39 Å²	39	68.8 Å²	68.8	27%	0.273	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	26.8	177.7	62.3	0	0	0	0	114.1	L326 D347 L348 T349 S350	L326-S328 PolarHBondContact O-N 3.17Å; S328-D347 WeakPolarHBondContact CB-O 3.29Å; S328-L348 WeakPolarHBondContact O-CD1 3.5Å; S328-T349 WeakPolarHBondContact CB-OG1 3.48Å; S328-T349 PolarHBondContact O-N 2.85Å; S328-T349 PolarHBondContact O-OG1 2.84Å; S328-T349 PolarHBondContact OG-OG1 2.96Å; S328-S350 PolarHBondContact O-N 3.24Å; S328-S350 VanDerWaalsContact O-N 3.12Å
329	T	93.1	Very high	89	Confident	44 Å²	44	69.5 Å²	69.5	27%	0.27	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	126.2	-177.7	-53.3	0	0	0	0	113.2	M325 L326 D327 S350	M325-T329 WeakPolarHBondContact CA-O 3.34Å; L326-T329 PolarHBondContact N-O 3.41Å; L326-T329 WeakPolarHBondContact O-CA 3.23Å; L326-T329 WeakPolarHBondContact O-CB 3.42Å; L326-T329 PolarHBondContact O-N 2.97Å; D327-T329 VanDerWaalsContact C-N 3.34Å; D327-T329 PolarHBondContact O-N 3.45Å; T329-S350 WeakPolarHBondContact CA-O 3.5Å; T329-S350 VanDerWaalsContact OG1-CB 3.32Å; T329-S350 WeakPolarHBondContact OG1-CB 3.38Å
330	V	94.5	Very high	89.8	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	131.3	163.6	175.3	0	0	0	0	108.3	L319 M325 I343 L348 S350 L351 D352	L319-V330 HydrophobicContact CD2-CG1 4.09Å; L319-V330 HydrophobicContact CD2-CG2 4.24Å; M325-V330 HydrophobicContact CE-CG2 3.96Å; M325-V330 HydrophobicContact SD-CB 4.14Å; M325-V330 HydrophobicContact SD-CG2 3.3Å; M325-V330 WeakPolarHBondContact SD-CG2 3.42Å; V330-I343 HydrophobicContact CB-CD1 4.45Å; V330-I343 HydrophobicContact CG1-CD1 3.97Å; V330-I343 HydrophobicContact CG2-CD1 3.92Å; V330-L348 HydrophobicContact CB-CD1 4.33Å; V330-L348 HydrophobicContact CG2-CD1 3.5Å; V330-L348 HydrophobicContact CG2-CD2 3.76Å; V330-L348 HydrophobicContact CG2-CG 4.31Å; V330-S350 PolarHBondContact N-O 3.05Å; V330-L351 HydrophobicContact CB-CD1 3.75Å; V330-L351 HydrophobicContact CG1-CD1 3.7Å; V330-L351 HydrophobicContact CG2-CD1 4.47Å; V330-D352 PolarHBondContact O-N 3.26Å
331	S	94.6	Very high	90.2	Very high	23 Å²	23	66.1 Å²	66.1	16%	0.161	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	122.2	167.2	-179.2	0	0	0	0	111.4	C323 S324 I333 D352	C323-S331 CarbonylContact C-O 3.57Å; C323-S331 WeakPolarHBondContact CA-O 3.37Å; S324-S331 PolarHBondContact N-O 2.82Å; S324-S331 PolarHBondContact O-N 2.7Å; S324-S331 PolarHBondContact OG-O 2.76Å; S331-I333 WeakPolarHBondContact OG-CD1 3.17Å; S331-I333 WeakPolarHBondContact OG-CG1 3.41Å; S331-D352 WeakPolarHBondContact CA-O 3.19Å; S331-D352 PolarHBondContact OG-OD2 2.85Å
332	C	94.4	Very high	90.6	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	38%	0.375	C	S	.	.			trans	-123.3	39.2	-178.5	-53.9	0	0	0	0	111.8	C323 N334 A335 L337 D352 L353 N356	C323-C332 HydrophobicContact CB-CB 4.06Å; C323-C332 WeakPolarHBondContact CB-SG 3.34Å; C323-C332 WeakPolarHBondContact SG-CB 3.48Å; C323-C332 CovalentContact SG-SG 2.03Å; C323-C332 PolarHBondContact SG-SG 3.3Å; C332-N334 PolarHBondContact O-N 3.26Å; C332-A335 HydrophobicContact CB-CB 4.05Å; C332-A335 VanDerWaalsContact O-CB 3.26Å; C332-A335 WeakPolarHBondContact O-CB 3.31Å; C332-A335 PolarHBondContact O-N 3.4Å; C332-L337 HydrophobicContact CB-CD1 3.69Å; C332-D352 PolarHBondContact N-O 3.39Å; C332-L353 HydrophobicContact CB-CD2 3.78Å; C332-N356 PolarHBondContact O-ND2 3.08Å
333	I	93.6	Very high	90.9	Very high	86 Å²	86	64.2 Å²	64.2	44%	0.441	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	127.4	-176.4	-60.3	159.8	0	0	0	111	S331 A335 D352 T354	S331-I333 WeakPolarHBondContact OG-CD1 3.17Å; S331-I333 WeakPolarHBondContact OG-CG1 3.41Å; I333-A335 PolarHBondContact O-N 2.96Å; I333-A335 VanDerWaalsContact O-N 3.13Å; I333-D352 VanDerWaalsContact CD1-OD2 3.22Å; I333-D352 WeakPolarHBondContact CD1-OD2 3.42Å; I333-D352 WeakPolarHBondContact CG1-OD2 3.49Å; I333-T354 WeakPolarHBondContact CA-O 3.46Å
334	N	93.3	Very high	90.9	Very high	110 Å²	110	67 Å²	67	59%	0.588	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	21.5	179.9	-56.5	-51.5	0	0	0	115.4	C332 K336 T354 G355	C332-N334 PolarHBondContact O-N 3.26Å; N334-K336 PolarHBondContact O-N 3.3Å; N334-K336 VanDerWaalsContact O-N 3.07Å; N334-T354 PolarHBondContact N-O 2.82Å; N334-G355 PolarHBondContact OD1-O 3.34Å
335	A	93	Very high	90.9	Very high	21 Å²	21	65.5 Å²	65.5	17%	0.174	37%	0.365	C	S	.	.			trans	-70	1.8	-179.2	0	0	0	0	0	115	C332 I333 L337 N356	C332-A335 HydrophobicContact CB-CB 4.05Å; C332-A335 VanDerWaalsContact O-CB 3.26Å; C332-A335 WeakPolarHBondContact O-CB 3.31Å; C332-A335 PolarHBondContact O-N 3.4Å; I333-A335 PolarHBondContact O-N 2.96Å; I333-A335 VanDerWaalsContact O-N 3.13Å; A335-L337 VanDerWaalsContact C-N 3.27Å; A335-L337 HydrophobicContact CB-CD1 4.29Å; A335-L337 HydrophobicContact CB-CG 4Å; A335-L337 PolarHBondContact O-N 3.3Å; A335-N356 VanDerWaalsContact C-OD1 3.28Å; A335-N356 WeakPolarHBondContact CA-OD1 3.28Å; A335-N356 PolarHBondContact N-OD1 3.15Å
336	K	93.1	Very high	91	Very high	174 Å²	174	65.4 Å²	65.4	76%	0.757	37%	0.37	S	S	*	.			trans	61.8	28.7	-179.3	-51.4	175.6	-175.1	171.9	0	114.1	N334 N356	N334-K336 PolarHBondContact O-N 3.3Å; N334-K336 VanDerWaalsContact O-N 3.07Å; K336-N356 PolarHBondContact N-OD1 3.03Å
337	L	93.1	Very high	91.3	Very high	21 Å²	21	65.6 Å²	65.6	11%	0.11	37%	0.372	C	S	.	.			trans	-65.5	133.4	178	-59.2	171.4	0	0	0	110.9	P320 C332 A335 P341 L353 N356 I357 I358	P320-L337 HydrophobicContact CB-CD2 3.69Å; P320-L337 HydrophobicContact CG-CD2 3.89Å; C332-L337 HydrophobicContact CB-CD1 3.69Å; A335-L337 VanDerWaalsContact C-N 3.27Å; A335-L337 HydrophobicContact CB-CD1 4.29Å; A335-L337 HydrophobicContact CB-CG 4Å; A335-L337 PolarHBondContact O-N 3.3Å; L337-P341 HydrophobicContact CD1-CG 4.49Å; L337-L353 HydrophobicContact CD1-CD2 3.94Å; L337-N356 HydrophobicContact CB-CB 4.09Å; L337-N356 PolarHBondContact N-OD1 2.89Å; L337-I357 CarbonylContact O-C 3.52Å; L337-I357 VanDerWaalsContact O-C 3.22Å; L337-I357 WeakPolarHBondContact O-CA 3.47Å; L337-I357 VanDerWaalsContact O-CG1 3.23Å; L337-I357 WeakPolarHBondContact O-CG1 3.32Å; L337-I357 PolarHBondContact O-N 2.68Å; L337-I358 HydrophobicContact CB-CG1 4.34Å; L337-I358 PolarHBondContact O-N 3.21Å
338	T	92.4	Very high	91.7	Very high	88 Å²	88	58.3 Å²	58.3	54%	0.54	33%	0.333	S	S	.	.	S	Bend	trans	-92.9	-18.7	175.2	48.8	0	0	0	0	113.3	I357 I358	T338-I357 HydrophobicContact CG2-CD1 3.73Å; T338-I357 HydrophobicContact CG2-CG1 3.91Å; T338-I358 WeakPolarHBondContact O-CA 3.28Å
339	Q	91.8	Very high	92	Very high	125 Å²	125	58.6 Å²	58.6	58%	0.584	33%	0.333	S	S	*	.	S	Bend	trans	-145.4	160.7	180	-69.3	-177.9	-29.8	0	0	108.7
340	I	92.3	Very high	92.2	Very high	20 Å²	20	57.5 Å²	57.5	10%	0.103	33%	0.327	C	S	.	.			trans	-64.7	127.3	169.6	-62.7	173	0	0	0	107.9	L353 I358 I361 A365 F366 L377	I340-L353 HydrophobicContact CB-CD1 4.42Å; I340-L353 HydrophobicContact CG1-CD1 3.86Å; I340-L353 HydrophobicContact CG2-CD1 4.19Å; I340-I358 HydrophobicContact CG1-CD1 4.16Å; I340-I358 HydrophobicContact CG1-CG2 4.48Å; I340-I361 HydrophobicContact CD1-CB 4.35Å; I340-I361 HydrophobicContact CD1-CG1 4.02Å; I340-I361 HydrophobicContact CD1-CG2 3.93Å; I340-A365 HydrophobicContact CD1-CB 4.01Å; I340-F366 HydrophobicContact CD1-CE1 4.02Å; I340-F366 HydrophobicContact CD1-CE2 4.37Å; I340-F366 HydrophobicContact CD1-CZ 3.68Å; I340-L377 HydrophobicContact CD1-CD2 4.34Å; I340-L377 HydrophobicContact CG1-CD2 4.5Å
341	P	87.4	Confident	92.3	Very high	14 Å²	14	57.5 Å²	57.5	9%	0.091	33%	0.327	C	S	.	.			trans	-70.1	147	179.5	28.5	-34	0	0	0	111.1	P320 L337 I343	P320-P341 HydrophobicContact CG-CB 3.69Å; P320-P341 HydrophobicContact CG-CG 4.14Å; L337-P341 HydrophobicContact CD1-CG 4.49Å; P341-I343 HydrophobicContact CG-CD1 3.99Å; P341-I343 HydrophobicContact CG-CG1 4.17Å; P341-I343 PolarHBondContact O-N 3.48Å
342	P	86.1	Confident	92.4	Very high	109 Å²	109	57.1 Å²	57.1	71%	0.708	32%	0.324	S	S	*	.			trans	-72.1	89.4	178.2	29.7	-34.6	0	0	0	110.8
343	I	87.9	Confident	92.5	Very high	23 Å²	23	57.1 Å²	57.1	12%	0.118	32%	0.324	C	S	.	.			trans	-94.3	132.1	175.2	-59.1	166.7	0	0	0	108.6	V330 P341 D345 L348 L351 G368 I369	V330-I343 HydrophobicContact CB-CD1 4.45Å; V330-I343 HydrophobicContact CG1-CD1 3.97Å; V330-I343 HydrophobicContact CG2-CD1 3.92Å; P341-I343 HydrophobicContact CG-CD1 3.99Å; P341-I343 HydrophobicContact CG-CG1 4.17Å; P341-I343 PolarHBondContact O-N 3.48Å; I343-D345 HydrophobicContact CG2-CB 4.08Å; I343-L348 HydrophobicContact CG2-CD2 4.47Å; I343-L351 HydrophobicContact CD1-CD1 4.2Å; I343-G368 WeakPolarHBondContact O-CA 3.22Å; I343-I369 HydrophobicContact CB-CG2 4.12Å; I343-I369 HydrophobicContact CG2-CG2 3.67Å
344	A	89.5	Confident	92.6	Very high	82 Å²	82	54 Å²	54	68%	0.678	31%	0.309	S	S	*	.			trans	-125	88	173.4	0	0	0	0	0	108.7	G368	A344-G368 CarbonylContact C-O 3.4Å; A344-G368 WeakPolarHBondContact CA-O 3.36Å
345	D	89.4	Confident	92.8	Very high	41 Å²	41	49.8 Å²	49.8	22%	0.219	29%	0.291	C	S	.	.			trans	-140.9	101.8	-178.4	-176.2	-12.8	0	0	0	108.9	I343 D347 L348 G368 I369	I343-D345 HydrophobicContact CG2-CB 4.08Å; D345-D347 PolarHBondContact O-N 2.97Å; D345-D347 PolarHBondContact OD1-N 2.85Å; D345-L348 HydrophobicContact CB-CB 4.09Å; D345-L348 WeakPolarHBondContact O-CB 2.91Å; D345-L348 PolarHBondContact O-N 3.45Å; D345-L348 PolarHBondContact OD1-N 3.16Å; D345-G368 CarbonylContact C-O 3.13Å; D345-G368 PolarHBondContact N-O 3.43Å; D345-I369 HydrophobicContact CB-CG2 4.36Å; D345-I369 WeakPolarHBondContact O-CG2 3.35Å
346	P	89	Confident	93	Very high	76 Å²	76	49 Å²	49	49%	0.494	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-17.3	-176.9	31.2	-35.7	0	0	0	113	N371	P346-N371 WeakPolarHBondContact O-CB 3.37Å; P346-N371 PolarHBondContact O-ND2 3.02Å
347	D	91.6	Very high	93.1	Very high	129 Å²	129	44.6 Å²	44.6	69%	0.69	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-2.8	-179.6	-68.8	-39.3	0	0	0	112.3	S328 D345 T349	S328-D347 WeakPolarHBondContact CB-O 3.29Å; D345-D347 PolarHBondContact O-N 2.97Å; D345-D347 PolarHBondContact OD1-N 2.85Å; D347-T349 PolarHBondContact O-N 3.37Å
348	L	94.5	Very high	93.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	26%	0.262	C	S	.	.			trans	-66.2	126.7	178.2	-165.6	75.2	0	0	0	112.8	M325 S328 V330 I343 D345 I369 N371 L372	M325-L348 HydrophobicContact CE-CD1 4.24Å; S328-L348 WeakPolarHBondContact O-CD1 3.5Å; V330-L348 HydrophobicContact CB-CD1 4.33Å; V330-L348 HydrophobicContact CG2-CD1 3.5Å; V330-L348 HydrophobicContact CG2-CD2 3.76Å; V330-L348 HydrophobicContact CG2-CG 4.31Å; I343-L348 HydrophobicContact CG2-CD2 4.47Å; D345-L348 HydrophobicContact CB-CB 4.09Å; D345-L348 WeakPolarHBondContact O-CB 2.91Å; D345-L348 PolarHBondContact O-N 3.45Å; D345-L348 PolarHBondContact OD1-N 3.16Å; L348-I369 HydrophobicContact CB-CG2 4.24Å; L348-I369 HydrophobicContact CD2-CB 4.08Å; L348-I369 HydrophobicContact CD2-CD1 4.25Å; L348-I369 HydrophobicContact CD2-CG2 3.69Å; L348-N371 CarbonylContact O-C 3.22Å; L348-L372 HydrophobicContact CD2-CD2 3.79Å; L348-L372 HydrophobicContact CG-CD2 3.89Å; L348-L372 PolarHBondContact O-N 2.68Å
349	T	96.6	Very high	93.4	Very high	44 Å²	44	42.5 Å²	42.5	27%	0.27	26%	0.255	S	S	.	.			trans	-110.7	-18.3	177.8	62.1	0	0	0	0	113.5	S328 D347 E373 W374	S328-T349 WeakPolarHBondContact CB-OG1 3.48Å; S328-T349 PolarHBondContact O-N 2.85Å; S328-T349 PolarHBondContact O-OG1 2.84Å; S328-T349 PolarHBondContact OG-OG1 2.96Å; D347-T349 PolarHBondContact O-N 3.37Å; T349-E373 PolarHBondContact O-N 2.76Å; T349-W374 PolarHBondContact O-N 3.46Å
350	S	97.1	Very high	93.6	Very high	22 Å²	22	39.2 Å²	39.2	15%	0.154	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	130.6	-167	-65.2	0	0	0	0	111.7	S328 T329 V330	S328-S350 PolarHBondContact O-N 3.24Å; S328-S350 VanDerWaalsContact O-N 3.12Å; T329-S350 WeakPolarHBondContact CA-O 3.5Å; T329-S350 VanDerWaalsContact OG1-CB 3.32Å; T329-S350 WeakPolarHBondContact OG1-CB 3.38Å; V330-S350 PolarHBondContact N-O 3.05Å
351	L	96.6	Very high	93.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	116.9	180	175.3	61.6	0	0	0	111.6	V330 I343 L353 F366 I369 L372 W374 I375 D376	V330-L351 HydrophobicContact CB-CD1 3.75Å; V330-L351 HydrophobicContact CG1-CD1 3.7Å; V330-L351 HydrophobicContact CG2-CD1 4.47Å; I343-L351 HydrophobicContact CD1-CD1 4.2Å; L351-L353 HydrophobicContact CD1-CD1 4.23Å; L351-L353 HydrophobicContact CD1-CD2 3.9Å; L351-L353 HydrophobicContact CD1-CG 3.89Å; L351-L353 HydrophobicContact CD2-CD1 4.16Å; L351-L353 HydrophobicContact CG-CD1 4.2Å; L351-L353 HydrophobicContact CG-CG 4.05Å; L351-F366 HydrophobicContact CD2-CD1 4.22Å; L351-F366 HydrophobicContact CD2-CE1 3.95Å; L351-I369 HydrophobicContact CD2-CD1 3.91Å; L351-L372 HydrophobicContact CB-CD1 4.25Å; L351-L372 HydrophobicContact CB-CD2 3.89Å; L351-L372 HydrophobicContact CD2-CD1 4.2Å; L351-W374 PolarHBondContact N-O 2.59Å; L351-I375 CarbonylContact O-C 3.34Å; L351-I375 WeakPolarHBondContact O-CA 3.19Å; L351-D376 PolarHBondContact O-N 3.01Å
352	D	96.8	Very high	94.1	Very high	15 Å²	15	40.5 Å²	40.5	8%	0.08	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	114.5	178.2	170.5	15.2	0	0	0	111.2	V330 S331 C332 I333 T354 W374	V330-D352 PolarHBondContact O-N 3.26Å; S331-D352 WeakPolarHBondContact CA-O 3.19Å; S331-D352 PolarHBondContact OG-OD2 2.85Å; C332-D352 PolarHBondContact N-O 3.39Å; I333-D352 VanDerWaalsContact CD1-OD2 3.22Å; I333-D352 WeakPolarHBondContact CD1-OD2 3.42Å; I333-D352 WeakPolarHBondContact CG1-OD2 3.49Å; D352-T354 VanDerWaalsContact OD1-CB 3.22Å; D352-T354 WeakPolarHBondContact OD1-CB 3.4Å; D352-T354 PolarHBondContact OD1-N 3.22Å; D352-T354 PolarHBondContact OD1-OG1 3Å; D352-W374 HydrophobicContact CB-CH2 3.79Å; D352-W374 HydrophobicContact CB-CZ3 4.17Å
353	L	96.6	Very high	94.4	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	24%	0.236	C	C	.	.			trans	-120.1	27.8	179.5	-59.7	178.7	0	0	0	111.3	C332 L337 I340 L351 N356 I358 D376 L377 N380	C332-L353 HydrophobicContact CB-CD2 3.78Å; L337-L353 HydrophobicContact CD1-CD2 3.94Å; I340-L353 HydrophobicContact CB-CD1 4.42Å; I340-L353 HydrophobicContact CG1-CD1 3.86Å; I340-L353 HydrophobicContact CG2-CD1 4.19Å; L351-L353 HydrophobicContact CD1-CD1 4.23Å; L351-L353 HydrophobicContact CD1-CD2 3.9Å; L351-L353 HydrophobicContact CD1-CG 3.89Å; L351-L353 HydrophobicContact CD2-CD1 4.16Å; L351-L353 HydrophobicContact CG-CD1 4.2Å; L351-L353 HydrophobicContact CG-CG 4.05Å; L353-N356 VanDerWaalsContact C-ND2 3.3Å; L353-N356 PolarHBondContact O-ND2 2.75Å; L353-I358 HydrophobicContact CB-CD1 4.12Å; L353-I358 HydrophobicContact CD1-CD1 3.97Å; L353-D376 PolarHBondContact N-O 3.2Å; L353-L377 HydrophobicContact CB-CD2 4.15Å; L353-L377 HydrophobicContact CD1-CD2 3.93Å; L353-N380 PolarHBondContact O-ND2 2.76Å
354	T	97.4	Very high	94.7	Very high	21 Å²	21	42.5 Å²	42.5	13%	0.129	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	137.4	-175.4	-56.4	0	0	0	0	113.3	I333 N334 D352 N356 D376 S378 K379	I333-T354 WeakPolarHBondContact CA-O 3.46Å; N334-T354 PolarHBondContact N-O 2.82Å; D352-T354 VanDerWaalsContact OD1-CB 3.22Å; D352-T354 WeakPolarHBondContact OD1-CB 3.4Å; D352-T354 PolarHBondContact OD1-N 3.22Å; D352-T354 PolarHBondContact OD1-OG1 3Å; T354-N356 PolarHBondContact O-N 2.89Å; T354-N356 PolarHBondContact O-ND2 2.98Å; T354-D376 PolarHBondContact OG1-OD2 3.45Å; T354-S378 WeakPolarHBondContact CA-O 3.2Å; T354-K379 HydrophobicContact CG2-CD 4.49Å
355	G	96.5	Very high	94.8	Very high	20 Å²	20	39.7 Å²	39.7	21%	0.206	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	23.6	169.9	0	0	0	0	0	114.9	N334 S378 K379	N334-G355 PolarHBondContact OD1-O 3.34Å; G355-S378 PolarHBondContact N-O 2.94Å; G355-K379 CarbonylContact C-O 3.55Å; G355-K379 VanDerWaalsContact CA-O 3.25Å; G355-K379 WeakPolarHBondContact CA-O 3.48Å
356	N	96.5	Very high	95.1	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.027	22%	0.223	C	C	.	.			trans	-91.8	-169.3	175.2	-75.4	-72.8	0	0	0	111	C332 A335 K336 L337 L353 T354 I358 N380	C332-N356 PolarHBondContact O-ND2 3.08Å; A335-N356 VanDerWaalsContact C-OD1 3.28Å; A335-N356 WeakPolarHBondContact CA-OD1 3.28Å; A335-N356 PolarHBondContact N-OD1 3.15Å; K336-N356 PolarHBondContact N-OD1 3.03Å; L337-N356 HydrophobicContact CB-CB 4.09Å; L337-N356 PolarHBondContact N-OD1 2.89Å; L353-N356 VanDerWaalsContact C-ND2 3.3Å; L353-N356 PolarHBondContact O-ND2 2.75Å; T354-N356 PolarHBondContact O-N 2.89Å; T354-N356 PolarHBondContact O-ND2 2.98Å; N356-I358 HydrophobicContact CB-CD1 4.33Å; N356-I358 HydrophobicContact CB-CG1 4.12Å; N356-N380 VanDerWaalsContact CA-OD1 3.29Å; N356-N380 WeakPolarHBondContact CA-OD1 3.5Å; N356-N380 WeakPolarHBondContact CB-OD1 3.46Å; N356-N380 PolarHBondContact N-OD1 2.8Å; N356-N380 PolarHBondContact O-OD1 3.2Å
357	I	96.6	Very high	95.2	Very high	82 Å²	82	38.1 Å²	38.1	42%	0.421	22%	0.221	S	C	.	.			trans	-119.8	33.4	179.1	56.5	174.3	0	0	0	111	L337 T338 T359 N380	L337-I357 CarbonylContact O-C 3.52Å; L337-I357 VanDerWaalsContact O-C 3.22Å; L337-I357 WeakPolarHBondContact O-CA 3.47Å; L337-I357 VanDerWaalsContact O-CG1 3.23Å; L337-I357 WeakPolarHBondContact O-CG1 3.32Å; L337-I357 PolarHBondContact O-N 2.68Å; T338-I357 HydrophobicContact CG2-CD1 3.73Å; T338-I357 HydrophobicContact CG2-CG1 3.91Å; I357-T359 PolarHBondContact O-N 2.76Å; I357-N380 PolarHBondContact N-OD1 2.83Å
358	I	96.5	Very high	95.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.202	C	C	.	.			trans	-67.5	130.6	179.1	-57.7	172.7	0	0	0	109	L337 T338 I340 L353 N356 T360 L377 N380 N381 I382	L337-I358 HydrophobicContact CB-CG1 4.34Å; L337-I358 PolarHBondContact O-N 3.21Å; T338-I358 WeakPolarHBondContact O-CA 3.28Å; I340-I358 HydrophobicContact CG1-CD1 4.16Å; I340-I358 HydrophobicContact CG1-CG2 4.48Å; L353-I358 HydrophobicContact CB-CD1 4.12Å; L353-I358 HydrophobicContact CD1-CD1 3.97Å; N356-I358 HydrophobicContact CB-CD1 4.33Å; N356-I358 HydrophobicContact CB-CG1 4.12Å; I358-T360 WeakPolarHBondContact CG2-O 3.36Å; I358-L377 HydrophobicContact CD1-CD2 4.31Å; I358-N380 HydrophobicContact CB-CB 4.31Å; I358-N380 VanDerWaalsContact CB-OD1 3.32Å; I358-N380 WeakPolarHBondContact CB-OD1 3.28Å; I358-N380 WeakPolarHBondContact CG1-OD1 3.38Å; I358-N380 PolarHBondContact N-OD1 2.85Å; I358-N381 CarbonylContact O-C 3.6Å; I358-N381 WeakPolarHBondContact O-CA 3.36Å; I358-N381 PolarHBondContact O-N 3.47Å; I358-I382 HydrophobicContact CB-CG1 4.45Å; I358-I382 HydrophobicContact CG2-CG1 4.24Å; I358-I382 WeakPolarHBondContact O-CG1 3.35Å; I358-I382 PolarHBondContact O-N 2.83Å
359	T	95.3	Very high	95.2	Very high	64 Å²	64	33.4 Å²	33.4	39%	0.393	20%	0.202	S	C	.	.			trans	-111.2	-21.9	178	51.7	0	0	0	0	113.6	I357 N381 T383	I357-T359 PolarHBondContact O-N 2.76Å; T359-N381 HydrophobicContact CG2-CB 3.89Å; T359-T383 PolarHBondContact O-N 2.95Å
360	T	95.4	Very high	95	Very high	56 Å²	56	33.5 Å²	33.5	34%	0.344	20%	0.203	S	C	.	.			trans	-138.5	145.4	-171.8	57.2	0	0	0	0	112.7	I358 G386	I358-T360 WeakPolarHBondContact CG2-O 3.36Å; T360-G386 CarbonylContact C-O 3.48Å; T360-G386 WeakPolarHBondContact CA-O 3.05Å; T360-G386 WeakPolarHBondContact CB-O 3.44Å
361	I	96.3	Very high	95	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-125.8	109.8	171.8	-53.7	-179.5	0	0	0	106	I340 A365 F366 L377 I382 G386 I387 G388 A391 F392	I340-I361 HydrophobicContact CD1-CB 4.35Å; I340-I361 HydrophobicContact CD1-CG1 4.02Å; I340-I361 HydrophobicContact CD1-CG2 3.93Å; I361-A365 HydrophobicContact CG2-CB 3.95Å; I361-F366 HydrophobicContact CG2-CE2 3.58Å; I361-F366 HydrophobicContact CG2-CZ 4.08Å; I361-L377 HydrophobicContact CD1-CD1 3.72Å; I361-I382 HydrophobicContact CD1-CD1 4.26Å; I361-I382 HydrophobicContact CD1-CG2 4.33Å; I361-I382 HydrophobicContact CG1-CG2 4.38Å; I361-G386 PolarHBondContact N-O 3.46Å; I361-I387 HydrophobicContact CB-CG1 4.41Å; I361-I387 HydrophobicContact CD1-CD1 4.31Å; I361-I387 HydrophobicContact CD1-CG1 4.12Å; I361-I387 HydrophobicContact CG1-CG1 4.35Å; I361-I387 CarbonylContact O-C 3.58Å; I361-I387 WeakPolarHBondContact O-CA 3.49Å; I361-G388 PolarHBondContact O-N 3.07Å; I361-A391 HydrophobicContact CG2-CB 3.78Å; I361-F392 HydrophobicContact CD1-CZ 3.86Å
362	S	94.3	Very high	95	Very high	61 Å²	61	34.7 Å²	34.7	43%	0.427	21%	0.208	S	C	.	.			trans	-78.8	165.4	176	76.5	0	0	0	0	111.6	E364 A365 A391	S362-E364 WeakPolarHBondContact CB-OE2 3.45Å; S362-E364 PolarHBondContact O-N 2.79Å; S362-E364 PolarHBondContact OG-OE2 2.96Å; S362-A365 VanDerWaalsContact O-CB 3.24Å; S362-A365 WeakPolarHBondContact O-CB 3.18Å; S362-A365 PolarHBondContact O-N 2.9Å; S362-A365 VanDerWaalsContact O-N 3.13Å; S362-A391 WeakPolarHBondContact O-CB 3.38Å
363	D	93.1	Very high	95	Very high	58 Å²	58	37.5 Å²	37.5	31%	0.31	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-25.8	-180	-69.4	-50.8	0	0	0	112.8	G388 P389 Q390 A391	D363-G388 VanDerWaalsContact OD1-CA 3.23Å; D363-G388 WeakPolarHBondContact OD1-CA 3.33Å; D363-P389 WeakPolarHBondContact OD1-CD 3.49Å; D363-P389 VanDerWaalsContact OD1-N 3.15Å; D363-Q390 WeakPolarHBondContact OD1-CA 3.48Å; D363-Q390 PolarHBondContact OD1-N 3.37Å; D363-A391 PolarHBondContact OD1-N 3.15Å; D363-A391 VanDerWaalsContact OD1-N 3.07Å
364	E	92.6	Very high	95.1	Very high	116 Å²	116	40.2 Å²	40.2	54%	0.542	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-6	-179.8	-41.6	80.5	178.4	0	0	114.1	S362 F366 N367	S362-E364 WeakPolarHBondContact CB-OE2 3.45Å; S362-E364 PolarHBondContact O-N 2.79Å; S362-E364 PolarHBondContact OG-OE2 2.96Å; E364-F366 PolarHBondContact O-N 2.92Å; E364-N367 WeakPolarHBondContact CA-ND2 3.46Å; E364-N367 WeakPolarHBondContact O-CB 3.39Å; E364-N367 PolarHBondContact O-N 3.16Å
365	A	92.8	Very high	95.2	Very high	23 Å²	23	39.2 Å²	39.2	19%	0.19	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-21.6	-165.7	0	0	0	0	0	114.9	I340 I361 S362	I340-A365 HydrophobicContact CD1-CB 4.01Å; I361-A365 HydrophobicContact CG2-CB 3.95Å; S362-A365 VanDerWaalsContact O-CB 3.24Å; S362-A365 WeakPolarHBondContact O-CB 3.18Å; S362-A365 PolarHBondContact O-N 2.9Å; S362-A365 VanDerWaalsContact O-N 3.13Å
366	F	94.7	Very high	95.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.4	9.4	178.1	-48.8	-83.3	0	0	0	114	I340 L351 I361 E364 G368 I369 L372 I375 L377 A391 F392 L395	I340-F366 HydrophobicContact CD1-CE1 4.02Å; I340-F366 HydrophobicContact CD1-CE2 4.37Å; I340-F366 HydrophobicContact CD1-CZ 3.68Å; L351-F366 HydrophobicContact CD2-CD1 4.22Å; L351-F366 HydrophobicContact CD2-CE1 3.95Å; I361-F366 HydrophobicContact CG2-CE2 3.58Å; I361-F366 HydrophobicContact CG2-CZ 4.08Å; E364-F366 PolarHBondContact O-N 2.92Å; F366-G368 PolarHBondContact O-N 3.3Å; F366-I369 HydrophobicContact CB-CG1 4.04Å; F366-I369 HydrophobicContact CD1-CD1 4.08Å; F366-I369 HydrophobicContact CD1-CG1 4.4Å; F366-I369 CarbonylContact O-C 3.42Å; F366-I369 WeakPolarHBondContact O-CG1 3.44Å; F366-I369 PolarHBondContact O-N 2.84Å; F366-L372 HydrophobicContact CD1-CD1 4.01Å; F366-I375 HydrophobicContact CD1-CD1 3.97Å; F366-I375 HydrophobicContact CE1-CD1 3.64Å; F366-I375 HydrophobicContact CE1-CG1 4.43Å; F366-I375 HydrophobicContact CZ-CD1 4.01Å; F366-L377 HydrophobicContact CZ-CD1 4.41Å; F366-A391 WeakPolarHBondContact CD2-O 3.08Å; F366-F392 HydrophobicContact CE2-CD1 4.03Å; F366-F392 AromaticContact CE2-CE1 3.75Å; F366-F392 HydrophobicContact CE2-CE1 3.75Å; F366-F392 HydrophobicContact CE2-CZ 4.47Å; F366-F392 AromaticContact CZ-CE1 3.94Å; F366-F392 HydrophobicContact CZ-CE1 3.94Å; F366-L395 HydrophobicContact CB-CD1 4.04Å; F366-L395 HydrophobicContact CB-CD2 3.86Å; F366-L395 HydrophobicContact CB-CG 4.21Å; F366-L395 HydrophobicContact CD1-CD1 4.36Å; F366-L395 HydrophobicContact CD2-CD1 4.12Å; F366-L395 HydrophobicContact CG-CD1 3.93Å
367	N	92.3	Very high	95.3	Very high	84 Å²	84	39 Å²	39	45%	0.449	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.6	-175.9	-81	-10.6	0	0	0	113.8	E364 I369 I394	E364-N367 WeakPolarHBondContact CA-ND2 3.46Å; E364-N367 WeakPolarHBondContact O-CB 3.39Å; E364-N367 PolarHBondContact O-N 3.16Å; N367-I369 VanDerWaalsContact C-N 3.33Å; N367-I394 VanDerWaalsContact OD1-CD1 3.31Å; N367-I394 WeakPolarHBondContact OD1-CD1 3.24Å
368	G	90.3	Very high	95.4	Very high	29 Å²	29	35.4 Å²	35.4	30%	0.299	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-6.6	176.5	0	0	0	0	0	115	I343 A344 D345 F366	I343-G368 WeakPolarHBondContact O-CA 3.22Å; A344-G368 CarbonylContact C-O 3.4Å; A344-G368 WeakPolarHBondContact CA-O 3.36Å; D345-G368 CarbonylContact C-O 3.13Å; D345-G368 PolarHBondContact N-O 3.43Å; F366-G368 PolarHBondContact O-N 3.3Å
369	I	94.5	Very high	95.4	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	23%	0.231	C	C	.	.			trans	-136.3	54.9	-170.8	54.3	-169.7	0	0	0	111.6	I343 D345 L348 L351 F366 N367 N371 L372	I343-I369 HydrophobicContact CB-CG2 4.12Å; I343-I369 HydrophobicContact CG2-CG2 3.67Å; D345-I369 HydrophobicContact CB-CG2 4.36Å; D345-I369 WeakPolarHBondContact O-CG2 3.35Å; L348-I369 HydrophobicContact CB-CG2 4.24Å; L348-I369 HydrophobicContact CD2-CB 4.08Å; L348-I369 HydrophobicContact CD2-CD1 4.25Å; L348-I369 HydrophobicContact CD2-CG2 3.69Å; L351-I369 HydrophobicContact CD2-CD1 3.91Å; F366-I369 HydrophobicContact CB-CG1 4.04Å; F366-I369 HydrophobicContact CD1-CD1 4.08Å; F366-I369 HydrophobicContact CD1-CG1 4.4Å; F366-I369 CarbonylContact O-C 3.42Å; F366-I369 WeakPolarHBondContact O-CG1 3.44Å; F366-I369 PolarHBondContact O-N 2.84Å; N367-I369 VanDerWaalsContact C-N 3.33Å; I369-N371 PolarHBondContact O-N 3.28Å; I369-N371 VanDerWaalsContact O-N 3.13Å; I369-L372 HydrophobicContact CB-CD1 4.29Å; I369-L372 HydrophobicContact CB-CG 4.32Å; I369-L372 HydrophobicContact CD1-CD1 3.81Å; I369-L372 HydrophobicContact CG1-CD1 3.8Å; I369-L372 HydrophobicContact CG1-CG 4.37Å; I369-L372 WeakPolarHBondContact O-CG 3.49Å
370	P	93.6	Very high	95.6	Very high	45 Å²	45	39.3 Å²	39.3	29%	0.292	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-8.1	-168.7	31.8	-39	0	0	0	115.1
371	N	95.7	Very high	95.6	Very high	48 Å²	48	40.8 Å²	40.8	26%	0.257	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	5.1	-174.3	-79.3	-45.5	0	0	0	114.6	P346 L348 I369 E373 K397	P346-N371 WeakPolarHBondContact O-CB 3.37Å; P346-N371 PolarHBondContact O-ND2 3.02Å; L348-N371 CarbonylContact O-C 3.22Å; I369-N371 PolarHBondContact O-N 3.28Å; I369-N371 VanDerWaalsContact O-N 3.13Å; N371-E373 PolarHBondContact O-N 3Å; N371-K397 HydrophobicContact CB-CD 4.36Å; N371-K397 WeakPolarHBondContact OD1-CD 3.12Å; N371-K397 VanDerWaalsContact OD1-CE 3.23Å; N371-K397 WeakPolarHBondContact OD1-CE 3.44Å; N371-K397 PolarHBondContact OD1-NZ 2.73Å
372	L	97.3	Very high	95.7	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.218	C	C	.	.			trans	-54.4	131	178.7	-72	174	0	0	0	112.9	L348 L351 F366 I369 I375 L395 K397 L398	L348-L372 HydrophobicContact CD2-CD2 3.79Å; L348-L372 HydrophobicContact CG-CD2 3.89Å; L348-L372 PolarHBondContact O-N 2.68Å; L351-L372 HydrophobicContact CB-CD1 4.25Å; L351-L372 HydrophobicContact CB-CD2 3.89Å; L351-L372 HydrophobicContact CD2-CD1 4.2Å; F366-L372 HydrophobicContact CD1-CD1 4.01Å; I369-L372 HydrophobicContact CB-CD1 4.29Å; I369-L372 HydrophobicContact CB-CG 4.32Å; I369-L372 HydrophobicContact CD1-CD1 3.81Å; I369-L372 HydrophobicContact CG1-CD1 3.8Å; I369-L372 HydrophobicContact CG1-CG 4.37Å; I369-L372 WeakPolarHBondContact O-CG 3.49Å; L372-I375 HydrophobicContact CD1-CD1 3.86Å; L372-I375 HydrophobicContact CD1-CG1 3.84Å; L372-L395 HydrophobicContact CB-CD2 4.35Å; L372-L395 HydrophobicContact CD1-CD2 4.45Å; L372-K397 CarbonylContact O-C 3.55Å; L372-K397 VanDerWaalsContact O-C 3.28Å; L372-L398 HydrophobicContact CB-CD1 4.48Å; L372-L398 WeakPolarHBondContact O-CA 3.35Å; L372-L398 PolarHBondContact O-N 2.95Å
373	E	97.9	Very high	95.8	Very high	73 Å²	73	40.3 Å²	40.3	34%	0.341	21%	0.214	S	C	.	.	S	Bend	trans	-103.5	-25.4	170.6	-56.3	-153.6	150.9	0	0	112.4	T349 N371 K397 K399 R400	T349-E373 PolarHBondContact O-N 2.76Å; N371-E373 PolarHBondContact O-N 3Å; E373-K397 HydrophobicContact CG-CB 4.39Å; E373-K399 PolarHBondContact O-N 3.37Å; E373-K399 IonicContact OE1-NZ 3.8Å; E373-K399 PolarHBondContact OE1-NZ 3.2Å; E373-K399 IonicContact OE2-NZ 3.25Å; E373-K399 PolarHBondContact OE2-NZ 3.44Å; E373-R400 PolarHBondContact O-N 3.14Å
374	W	98.3	Very high	95.9	Very high	57 Å²	57	38.6 Å²	38.6	22%	0.216	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	134.9	177.3	169.7	55.4	0	0	0	112.8	T349 L351 D352 D376 R400 Y402	T349-W374 PolarHBondContact O-N 3.46Å; L351-W374 PolarHBondContact N-O 2.59Å; D352-W374 HydrophobicContact CB-CH2 3.79Å; D352-W374 HydrophobicContact CB-CZ3 4.17Å; W374-D376 HydrophobicContact CH2-CB 4.36Å; W374-D376 HydrophobicContact CZ2-CB 3.55Å; W374-R400 WeakPolarHBondContact CA-O 3.37Å; W374-R400 HydrophobicContact CB-CB 4.11Å; W374-R400 HydrophobicContact CG-CB 4.15Å; W374-Y402 HydrophobicContact CZ2-CE2 4.44Å; W374-Y402 AromaticContact NE1-CD2 3.39Å; W374-Y402 AromaticContact NE1-CE2 3.22Å; W374-Y402 AromaticContact NE1-CZ 3.9Å
375	I	97.9	Very high	96	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	131.8	169.5	-66.7	167.6	0	0	0	109.6	L351 F366 L372 L377 L395 L398 R400 L401 Y402	L351-I375 CarbonylContact O-C 3.34Å; L351-I375 WeakPolarHBondContact O-CA 3.19Å; F366-I375 HydrophobicContact CD1-CD1 3.97Å; F366-I375 HydrophobicContact CE1-CD1 3.64Å; F366-I375 HydrophobicContact CE1-CG1 4.43Å; F366-I375 HydrophobicContact CZ-CD1 4.01Å; L372-I375 HydrophobicContact CD1-CD1 3.86Å; L372-I375 HydrophobicContact CD1-CG1 3.84Å; I375-L377 HydrophobicContact CG2-CD1 3.54Å; I375-L377 HydrophobicContact CG2-CG 3.71Å; I375-L395 HydrophobicContact CD1-CD1 3.53Å; I375-L398 HydrophobicContact CB-CD1 4.32Å; I375-L398 HydrophobicContact CD1-CD1 3.77Å; I375-L398 HydrophobicContact CD1-CD2 4.23Å; I375-L398 HydrophobicContact CG1-CD1 3.81Å; I375-R400 PolarHBondContact N-O 3.44Å; I375-L401 HydrophobicContact CB-CD1 4Å; I375-L401 HydrophobicContact CG2-CD1 3.97Å; I375-Y402 PolarHBondContact O-N 3.42Å
376	D	98.4	Very high	96	Very high	22 Å²	22	38.5 Å²	38.5	12%	0.118	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.7	165	-161.5	-18.2	0	0	0	111.1	L351 L353 T354 W374 S378 Y402	L351-D376 PolarHBondContact O-N 3.01Å; L353-D376 PolarHBondContact N-O 3.2Å; T354-D376 PolarHBondContact OG1-OD2 3.45Å; W374-D376 HydrophobicContact CH2-CB 4.36Å; W374-D376 HydrophobicContact CZ2-CB 3.55Å; D376-S378 WeakPolarHBondContact OD1-CB 3.28Å; D376-S378 PolarHBondContact OD1-N 2.78Å; D376-S378 PolarHBondContact OD1-OG 3.01Å; D376-Y402 HydrophobicContact CB-CD2 4.16Å; D376-Y402 WeakPolarHBondContact OD2-CD2 3.4Å
377	L	97.9	Very high	96.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.221	C	C	.	.			trans	-120.1	17.7	178	-76.9	158.2	0	0	0	111	I340 L353 I358 I361 F366 I375 N380 I382 Y402 L403 N406	I340-L377 HydrophobicContact CD1-CD2 4.34Å; I340-L377 HydrophobicContact CG1-CD2 4.5Å; L353-L377 HydrophobicContact CB-CD2 4.15Å; L353-L377 HydrophobicContact CD1-CD2 3.93Å; I358-L377 HydrophobicContact CD1-CD2 4.31Å; I361-L377 HydrophobicContact CD1-CD1 3.72Å; F366-L377 HydrophobicContact CZ-CD1 4.41Å; I375-L377 HydrophobicContact CG2-CD1 3.54Å; I375-L377 HydrophobicContact CG2-CG 3.71Å; L377-N380 PolarHBondContact O-ND2 2.97Å; L377-I382 HydrophobicContact CB-CD1 3.86Å; L377-I382 HydrophobicContact CD2-CD1 4.07Å; L377-I382 HydrophobicContact CG-CD1 4.39Å; L377-Y402 PolarHBondContact N-O 2.91Å; L377-L403 HydrophobicContact CB-CD2 3.86Å; L377-L403 HydrophobicContact CD1-CD2 4.02Å; L377-N406 PolarHBondContact O-ND2 3.38Å
378	S	98.1	Very high	96.2	Very high	6 Å²	6	36.1 Å²	36.1	4%	0.042	21%	0.206	C	C	.	.			trans	-65.2	149.8	-173.8	-54.8	0	0	0	0	112.9	T354 G355 D376 N380 D404	T354-S378 WeakPolarHBondContact CA-O 3.2Å; G355-S378 PolarHBondContact N-O 2.94Å; D376-S378 WeakPolarHBondContact OD1-CB 3.28Å; D376-S378 PolarHBondContact OD1-N 2.78Å; D376-S378 PolarHBondContact OD1-OG 3.01Å; S378-N380 PolarHBondContact O-N 3.19Å; S378-N380 PolarHBondContact O-ND2 2.89Å; S378-D404 CarbonylContact C-O 3.18Å; S378-D404 WeakPolarHBondContact CA-O 3.32Å; S378-D404 WeakPolarHBondContact CB-O 3.48Å; S378-D404 PolarHBondContact OG-N 3.1Å
379	K	97.8	Very high	96.3	Very high	143 Å²	143	38 Å²	38	62%	0.622	21%	0.213	S	C	*	.	S	Bend	trans	57.4	46.8	178.7	-56.8	164	-171.2	156	0	112.2	T354 G355 D404 G405	T354-K379 HydrophobicContact CG2-CD 4.49Å; G355-K379 CarbonylContact C-O 3.55Å; G355-K379 VanDerWaalsContact CA-O 3.25Å; G355-K379 WeakPolarHBondContact CA-O 3.48Å; K379-D404 PolarHBondContact N-O 3.5Å; K379-G405 WeakPolarHBondContact CA-O 3.26Å
380	N	97.8	Very high	96.2	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	23%	0.233	C	C	.	.	S	Bend	trans	-112.3	-175.5	169.1	-81.6	-85.2	0	0	0	109.3	L353 N356 I357 I358 L377 S378 I382 N406	L353-N380 PolarHBondContact O-ND2 2.76Å; N356-N380 VanDerWaalsContact CA-OD1 3.29Å; N356-N380 WeakPolarHBondContact CA-OD1 3.5Å; N356-N380 WeakPolarHBondContact CB-OD1 3.46Å; N356-N380 PolarHBondContact N-OD1 2.8Å; N356-N380 PolarHBondContact O-OD1 3.2Å; I357-N380 PolarHBondContact N-OD1 2.83Å; I358-N380 HydrophobicContact CB-CB 4.31Å; I358-N380 VanDerWaalsContact CB-OD1 3.32Å; I358-N380 WeakPolarHBondContact CB-OD1 3.28Å; I358-N380 WeakPolarHBondContact CG1-OD1 3.38Å; I358-N380 PolarHBondContact N-OD1 2.85Å; L377-N380 PolarHBondContact O-ND2 2.97Å; S378-N380 PolarHBondContact O-N 3.19Å; S378-N380 PolarHBondContact O-ND2 2.89Å; N380-I382 HydrophobicContact CB-CD1 3.91Å; N380-I382 HydrophobicContact CB-CG1 3.86Å; N380-N406 WeakPolarHBondContact CA-OD1 3.14Å; N380-N406 WeakPolarHBondContact CB-OD1 3.38Å; N380-N406 PolarHBondContact N-OD1 2.86Å; N380-N406 PolarHBondContact O-OD1 3.41Å; N380-N406 VanDerWaalsContact O-OD1 3.05Å
381	N	97.3	Very high	96.3	Very high	86 Å²	86	40.2 Å²	40.2	46%	0.46	22%	0.219	S	C	.	.			trans	-106.6	30.5	178	-70.6	-13.1	0	0	0	111.5	I358 T359 T383	I358-N381 CarbonylContact O-C 3.6Å; I358-N381 WeakPolarHBondContact O-CA 3.36Å; I358-N381 PolarHBondContact O-N 3.47Å; T359-N381 HydrophobicContact CG2-CB 3.89Å; N381-T383 PolarHBondContact O-N 3.12Å
382	I	97.6	Very high	96.2	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.207	C	C	.	.			trans	-69.5	131.8	-172.6	-54.6	160.6	0	0	0	109.1	I358 I361 L377 N380 I387 L403 N406 M407 L408	I358-I382 HydrophobicContact CB-CG1 4.45Å; I358-I382 HydrophobicContact CG2-CG1 4.24Å; I358-I382 WeakPolarHBondContact O-CG1 3.35Å; I358-I382 PolarHBondContact O-N 2.83Å; I361-I382 HydrophobicContact CD1-CD1 4.26Å; I361-I382 HydrophobicContact CD1-CG2 4.33Å; I361-I382 HydrophobicContact CG1-CG2 4.38Å; L377-I382 HydrophobicContact CB-CD1 3.86Å; L377-I382 HydrophobicContact CD2-CD1 4.07Å; L377-I382 HydrophobicContact CG-CD1 4.39Å; N380-I382 HydrophobicContact CB-CD1 3.91Å; N380-I382 HydrophobicContact CB-CG1 3.86Å; I382-I387 HydrophobicContact CG2-CD1 3.81Å; I382-I387 HydrophobicContact CG2-CG1 3.66Å; I382-L403 HydrophobicContact CD1-CD2 4.33Å; I382-N406 HydrophobicContact CB-CB 4.42Å; I382-N406 VanDerWaalsContact CB-OD1 3.28Å; I382-N406 WeakPolarHBondContact CB-OD1 3.04Å; I382-N406 WeakPolarHBondContact CD1-OD1 3.49Å; I382-N406 VanDerWaalsContact CG1-OD1 3.3Å; I382-N406 WeakPolarHBondContact CG1-OD1 3.5Å; I382-N406 PolarHBondContact N-OD1 3.08Å; I382-M407 CarbonylContact O-C 3.52Å; I382-M407 VanDerWaalsContact O-C 3.27Å; I382-M407 VanDerWaalsContact O-CA 3.32Å; I382-M407 WeakPolarHBondContact O-CA 3.13Å; I382-M407 WeakPolarHBondContact O-CB 3.28Å; I382-M407 PolarHBondContact O-N 3.26Å; I382-L408 HydrophobicContact CB-CD2 4.47Å; I382-L408 HydrophobicContact CG2-CD2 4.03Å
383	T	96.6	Very high	96	Very high	53 Å²	53	42.2 Å²	42.2	33%	0.325	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-111.1	149.4	176.6	63.6	0	0	0	0	109.7	T359 N381 G386 I387 M407	T359-T383 PolarHBondContact O-N 2.95Å; N381-T383 PolarHBondContact O-N 3.12Å; T383-G386 WeakPolarHBondContact O-CA 3.47Å; T383-G386 PolarHBondContact O-N 3.26Å; T383-G386 PolarHBondContact OG1-N 3.13Å; T383-I387 PolarHBondContact O-N 3.2Å; T383-M407 HydrophobicContact CG2-CB 3.96Å
384	S	94.7	Very high	95.7	Very high	22 Å²	22	41.8 Å²	41.8	15%	0.154	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-54.4	-45.7	178.8	-58.9	0	0	0	0	114.4	G386 I387 V409 H410	S384-G386 PolarHBondContact O-N 3.34Å; S384-I387 PolarHBondContact O-N 3.4Å; S384-I387 VanDerWaalsContact O-N 3.15Å; S384-V409 PolarHBondContact OG-N 3.48Å; S384-H410 PolarHBondContact OG-N 3.28Å; S384-H410 PolarHBondContact OG-O 3.41Å
385	P	94.1	Very high	95.6	Very high	124 Å²	124	39.1 Å²	39.1	81%	0.805	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-71.9	-5.9	174.1	30.9	-37.8	0	0	0	114.1
386	G	93.5	Very high	95.4	Very high	12 Å²	12	47 Å²	47	12%	0.124	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-85.7	-7.8	170.3	0	0	0	0	0	113.7	T360 I361 T383 S384	T360-G386 CarbonylContact C-O 3.48Å; T360-G386 WeakPolarHBondContact CA-O 3.05Å; T360-G386 WeakPolarHBondContact CB-O 3.44Å; I361-G386 PolarHBondContact N-O 3.46Å; T383-G386 WeakPolarHBondContact O-CA 3.47Å; T383-G386 PolarHBondContact O-N 3.26Å; T383-G386 PolarHBondContact OG1-N 3.13Å; S384-G386 PolarHBondContact O-N 3.34Å
387	I	96.7	Very high	95.3	Very high	21 Å²	21	50.4 Å²	50.4	11%	0.108	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-97.9	124.3	176.4	-59.4	179.6	0	0	0	108.8	I361 I382 T383 S384 A391 F392 L408 P412	I361-I387 HydrophobicContact CB-CG1 4.41Å; I361-I387 HydrophobicContact CD1-CD1 4.31Å; I361-I387 HydrophobicContact CD1-CG1 4.12Å; I361-I387 HydrophobicContact CG1-CG1 4.35Å; I361-I387 CarbonylContact O-C 3.58Å; I361-I387 WeakPolarHBondContact O-CA 3.49Å; I382-I387 HydrophobicContact CG2-CD1 3.81Å; I382-I387 HydrophobicContact CG2-CG1 3.66Å; T383-I387 PolarHBondContact O-N 3.2Å; S384-I387 PolarHBondContact O-N 3.4Å; S384-I387 VanDerWaalsContact O-N 3.15Å; I387-A391 HydrophobicContact CG2-CB 4.43Å; I387-F392 HydrophobicContact CG2-CE2 3.95Å; I387-L408 HydrophobicContact CD1-CD2 3.74Å; I387-P412 HydrophobicContact CD1-CG 3.92Å; I387-P412 HydrophobicContact CG2-CB 4.49Å
388	G	94.9	Very high	95.3	Very high	13 Å²	13	50.4 Å²	50.4	13%	0.134	26%	0.263	C	S	.	.			trans	-63.5	140.4	172.5	0	0	0	0	0	111.6	I361 D363 Q390 A391	I361-G388 PolarHBondContact O-N 3.07Å; D363-G388 VanDerWaalsContact OD1-CA 3.23Å; D363-G388 WeakPolarHBondContact OD1-CA 3.33Å; G388-Q390 PolarHBondContact O-N 3.26Å; G388-Q390 VanDerWaalsContact O-N 3.07Å; G388-A391 WeakPolarHBondContact O-CB 3.44Å; G388-A391 PolarHBondContact O-N 3.25Å
389	P	91.8	Very high	95.3	Very high	70 Å²	70	53 Å²	53	46%	0.455	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.8	-170.5	25.6	-36	0	0	0	114.7	D363 S413 E414	D363-P389 WeakPolarHBondContact OD1-CD 3.49Å; D363-P389 VanDerWaalsContact OD1-N 3.15Å; P389-S413 WeakPolarHBondContact CA-OG 3.45Å; P389-S413 PolarHBondContact O-OG 2.85Å; P389-E414 WeakPolarHBondContact O-CB 3.18Å
390	Q	92.6	Very high	95.4	Very high	90 Å²	90	51.3 Å²	51.3	42%	0.421	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.6	4.3	-178.5	-57.6	-163.5	14.7	0	0	113.6	D363 G388 F392 K393	D363-Q390 WeakPolarHBondContact OD1-CA 3.48Å; D363-Q390 PolarHBondContact OD1-N 3.37Å; G388-Q390 PolarHBondContact O-N 3.26Å; G388-Q390 VanDerWaalsContact O-N 3.07Å; Q390-F392 PolarHBondContact O-N 3.07Å; Q390-K393 HydrophobicContact CB-CB 4.14Å; Q390-K393 HydrophobicContact CB-CD 3.89Å; Q390-K393 HydrophobicContact CG-CD 3.92Å; Q390-K393 VanDerWaalsContact NE2-NZ 3.19Å; Q390-K393 WeakPolarHBondContact O-CB 3.35Å; Q390-K393 PolarHBondContact O-N 3.06Å; Q390-K393 VanDerWaalsContact OE1-NZ 3.15Å
391	A	94.6	Very high	95.4	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.008	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-37.3	-173.9	0	0	0	0	0	114.9	I361 S362 D363 F366 I387 G388	I361-A391 HydrophobicContact CG2-CB 3.78Å; S362-A391 WeakPolarHBondContact O-CB 3.38Å; D363-A391 PolarHBondContact OD1-N 3.15Å; D363-A391 VanDerWaalsContact OD1-N 3.07Å; F366-A391 WeakPolarHBondContact CD2-O 3.08Å; I387-A391 HydrophobicContact CG2-CB 4.43Å; G388-A391 WeakPolarHBondContact O-CB 3.44Å; G388-A391 PolarHBondContact O-N 3.25Å
392	F	94.9	Very high	95.5	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.009	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-9.9	178.8	-58.2	-72.1	0	0	0	114.2	I361 F366 I387 Q390 I394 L395 L398 L401 P412 L415	I361-F392 HydrophobicContact CD1-CZ 3.86Å; F366-F392 HydrophobicContact CE2-CD1 4.03Å; F366-F392 AromaticContact CE2-CE1 3.75Å; F366-F392 HydrophobicContact CE2-CE1 3.75Å; F366-F392 HydrophobicContact CE2-CZ 4.47Å; F366-F392 AromaticContact CZ-CE1 3.94Å; F366-F392 HydrophobicContact CZ-CE1 3.94Å; I387-F392 HydrophobicContact CG2-CE2 3.95Å; Q390-F392 PolarHBondContact O-N 3.07Å; F392-I394 VanDerWaalsContact C-N 3.31Å; F392-I394 PolarHBondContact O-N 3.3Å; F392-L395 HydrophobicContact CD1-CD1 4.32Å; F392-L395 WeakPolarHBondContact O-CB 3.46Å; F392-L395 PolarHBondContact O-N 2.8Å; F392-L395 VanDerWaalsContact O-N 3.14Å; F392-L398 HydrophobicContact CD1-CD2 4.43Å; F392-L401 HydrophobicContact CD1-CD1 4.49Å; F392-L401 HydrophobicContact CD1-CD2 4.27Å; F392-L401 HydrophobicContact CE1-CD1 3.84Å; F392-L401 HydrophobicContact CE1-CD2 4.11Å; F392-L401 HydrophobicContact CE2-CD2 4.47Å; F392-L401 HydrophobicContact CZ-CD1 4.26Å; F392-L401 HydrophobicContact CZ-CD2 4.21Å; F392-P412 HydrophobicContact CD2-CB 4.23Å; F392-P412 HydrophobicContact CE2-CB 4.07Å; F392-P412 HydrophobicContact CE2-CG 4.21Å; F392-L415 HydrophobicContact CB-CD2 4.17Å; F392-L415 HydrophobicContact CD2-CD2 3.79Å; F392-L415 HydrophobicContact CE2-CD2 4.44Å; F392-L415 HydrophobicContact CG-CD2 4.05Å
393	K	91.9	Very high	95.5	Very high	89 Å²	89	48.9 Å²	48.9	39%	0.387	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-31.5	-171.4	-170.5	-175.1	-165.9	152.3	0	113.9	Q390 L395 E414	Q390-K393 HydrophobicContact CB-CB 4.14Å; Q390-K393 HydrophobicContact CB-CD 3.89Å; Q390-K393 HydrophobicContact CG-CD 3.92Å; Q390-K393 VanDerWaalsContact NE2-NZ 3.19Å; Q390-K393 WeakPolarHBondContact O-CB 3.35Å; Q390-K393 PolarHBondContact O-N 3.06Å; Q390-K393 VanDerWaalsContact OE1-NZ 3.15Å; K393-L395 VanDerWaalsContact C-N 3.3Å; K393-E414 WeakPolarHBondContact CD-OE2 3.23Å; K393-E414 WeakPolarHBondContact CE-OE2 3.44Å; K393-E414 IonicContact NZ-OE1 3.59Å; K393-E414 IonicContact NZ-OE2 3.57Å; K393-E414 PolarHBondContact NZ-OE2 2.79Å
394	I	91.8	Very high	95.6	Very high	64 Å²	64	47.9 Å²	47.9	33%	0.328	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-21.7	-179.6	-165.2	167	0	0	0	112.8	N367 F392 K396	N367-I394 VanDerWaalsContact OD1-CD1 3.31Å; N367-I394 WeakPolarHBondContact OD1-CD1 3.24Å; F392-I394 VanDerWaalsContact C-N 3.31Å; F392-I394 PolarHBondContact O-N 3.3Å; I394-K396 VanDerWaalsContact C-N 3.3Å; I394-K396 PolarHBondContact O-N 3.25Å
395	L	95.7	Very high	95.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.247	C	C	.	.			trans	-83.8	65.4	-168.9	-59.3	177.1	0	0	0	112.9	F366 L372 I375 F392 K393 K397 L398	F366-L395 HydrophobicContact CB-CD1 4.04Å; F366-L395 HydrophobicContact CB-CD2 3.86Å; F366-L395 HydrophobicContact CB-CG 4.21Å; F366-L395 HydrophobicContact CD1-CD1 4.36Å; F366-L395 HydrophobicContact CD2-CD1 4.12Å; F366-L395 HydrophobicContact CG-CD1 3.93Å; L372-L395 HydrophobicContact CB-CD2 4.35Å; L372-L395 HydrophobicContact CD1-CD2 4.45Å; I375-L395 HydrophobicContact CD1-CD1 3.53Å; F392-L395 HydrophobicContact CD1-CD1 4.32Å; F392-L395 WeakPolarHBondContact O-CB 3.46Å; F392-L395 PolarHBondContact O-N 2.8Å; F392-L395 VanDerWaalsContact O-N 3.14Å; K393-L395 VanDerWaalsContact C-N 3.3Å; L395-K397 PolarHBondContact O-N 3.21Å; L395-L398 HydrophobicContact CB-CB 3.95Å; L395-L398 HydrophobicContact CB-CD2 4.49Å; L395-L398 HydrophobicContact CD1-CD2 4.16Å; L395-L398 WeakPolarHBondContact O-CB 3.49Å; L395-L398 PolarHBondContact O-N 2.96Å
396	K	94.6	Very high	96	Very high	165 Å²	165	42.4 Å²	42.4	72%	0.717	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	14	-176.7	-62	170.5	-172.6	173.7	0	115.2	I394	I394-K396 VanDerWaalsContact C-N 3.3Å; I394-K396 PolarHBondContact O-N 3.25Å
397	K	97	Very high	96.2	Very high	95 Å²	95	45.9 Å²	45.9	41%	0.413	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.4	-3.2	173.8	-70.3	-172.6	178.4	171.6	0	113.3	N371 L372 E373 L395 K399	N371-K397 HydrophobicContact CB-CD 4.36Å; N371-K397 WeakPolarHBondContact OD1-CD 3.12Å; N371-K397 VanDerWaalsContact OD1-CE 3.23Å; N371-K397 WeakPolarHBondContact OD1-CE 3.44Å; N371-K397 PolarHBondContact OD1-NZ 2.73Å; L372-K397 CarbonylContact O-C 3.55Å; L372-K397 VanDerWaalsContact O-C 3.28Å; E373-K397 HydrophobicContact CG-CB 4.39Å; L395-K397 PolarHBondContact O-N 3.21Å; K397-K399 PolarHBondContact O-N 3.06Å
398	L	98.1	Very high	96.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.218	C	C	.	.			trans	-67.7	118.4	-173.8	-168.4	70.3	0	0	0	110.2	L372 I375 F392 L395 L401 P416 T418 L419	L372-L398 HydrophobicContact CB-CD1 4.48Å; L372-L398 WeakPolarHBondContact O-CA 3.35Å; L372-L398 PolarHBondContact O-N 2.95Å; I375-L398 HydrophobicContact CB-CD1 4.32Å; I375-L398 HydrophobicContact CD1-CD1 3.77Å; I375-L398 HydrophobicContact CD1-CD2 4.23Å; I375-L398 HydrophobicContact CG1-CD1 3.81Å; F392-L398 HydrophobicContact CD1-CD2 4.43Å; L395-L398 HydrophobicContact CB-CB 3.95Å; L395-L398 HydrophobicContact CB-CD2 4.49Å; L395-L398 HydrophobicContact CD1-CD2 4.16Å; L395-L398 WeakPolarHBondContact O-CB 3.49Å; L395-L398 PolarHBondContact O-N 2.96Å; L398-L401 HydrophobicContact CD2-CB 4.34Å; L398-P416 HydrophobicContact CB-CG 4Å; L398-P416 HydrophobicContact CD2-CG 4.05Å; L398-T418 PolarHBondContact N-OG1 2.98Å; L398-T418 CarbonylContact O-C 3.58Å; L398-T418 WeakPolarHBondContact O-CB 3.48Å; L398-T418 PolarHBondContact O-OG1 2.99Å; L398-L419 HydrophobicContact CB-CD2 4.42Å; L398-L419 HydrophobicContact CD2-CD2 3.95Å; L398-L419 HydrophobicContact CG-CD2 3.8Å; L398-L419 WeakPolarHBondContact O-CA 3.36Å; L398-L419 PolarHBondContact O-N 2.97Å
399	K	98.3	Very high	96.4	Very high	61 Å²	61	46.9 Å²	46.9	27%	0.265	23%	0.228	S	C	.	.			trans	-104.5	-31.6	178.2	-65.4	167.8	-164.3	161.9	0	111.5	E373 K397 E420 E421	E373-K399 PolarHBondContact O-N 3.37Å; E373-K399 IonicContact OE1-NZ 3.8Å; E373-K399 PolarHBondContact OE1-NZ 3.2Å; E373-K399 IonicContact OE2-NZ 3.25Å; E373-K399 PolarHBondContact OE2-NZ 3.44Å; K397-K399 PolarHBondContact O-N 3.06Å; K399-E420 HydrophobicContact CB-CB 4.41Å; K399-E420 HydrophobicContact CB-CG 4.21Å; K399-E420 HydrophobicContact CG-CG 4.31Å; K399-E420 PolarHBondContact O-N 3.33Å; K399-E421 PolarHBondContact O-N 3.08Å
400	R	98.7	Very high	96.6	Very high	107 Å²	107	47.7 Å²	47.7	40%	0.404	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	128.2	-175.5	-58.7	-160.9	171.2	97	12.9	112.5	E373 W374 I375 Y402 E421	E373-R400 PolarHBondContact O-N 3.14Å; W374-R400 WeakPolarHBondContact CA-O 3.37Å; W374-R400 HydrophobicContact CB-CB 4.11Å; W374-R400 HydrophobicContact CG-CB 4.15Å; I375-R400 PolarHBondContact N-O 3.44Å; R400-Y402 HydrophobicContact CB-CE1 4.43Å; R400-E421 WeakPolarHBondContact CA-O 3.29Å; R400-E421 VanDerWaalsContact CD-OE2 3.28Å; R400-E421 WeakPolarHBondContact CD-OE2 3.41Å; R400-E421 HydrophobicContact CG-CB 4.1Å; R400-E421 IonicContact CZ-OE2 3.63Å; R400-E421 IonicContact NE-OE2 3.58Å; R400-E421 PolarHBondContact NE-OE2 2.9Å
401	L	98.6	Very high	96.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	116.6	174.5	178.4	60.2	0	0	0	110.7	I375 F392 L398 L403 L415 L419 E421 I422 K423	I375-L401 HydrophobicContact CB-CD1 4Å; I375-L401 HydrophobicContact CG2-CD1 3.97Å; F392-L401 HydrophobicContact CD1-CD1 4.49Å; F392-L401 HydrophobicContact CD1-CD2 4.27Å; F392-L401 HydrophobicContact CE1-CD1 3.84Å; F392-L401 HydrophobicContact CE1-CD2 4.11Å; F392-L401 HydrophobicContact CE2-CD2 4.47Å; F392-L401 HydrophobicContact CZ-CD1 4.26Å; F392-L401 HydrophobicContact CZ-CD2 4.21Å; L398-L401 HydrophobicContact CD2-CB 4.34Å; L401-L403 HydrophobicContact CD1-CD1 4.46Å; L401-L403 HydrophobicContact CD1-CG 4.31Å; L401-L403 HydrophobicContact CD2-CD1 4.04Å; L401-L403 HydrophobicContact CG-CD1 4.07Å; L401-L403 HydrophobicContact CG-CG 4.26Å; L401-L415 HydrophobicContact CD2-CD2 3.58Å; L401-L419 HydrophobicContact CB-CD2 3.9Å; L401-E421 PolarHBondContact N-O 2.83Å; L401-I422 WeakPolarHBondContact O-CA 3.38Å; L401-K423 PolarHBondContact O-N 2.91Å
402	Y	98.8	Very high	96.7	Very high	36 Å²	36	44.6 Å²	44.6	14%	0.141	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128	175.9	-50.6	-27.9	0	0	0	111	W374 I375 D376 L377 R400 E421 K423	W374-Y402 HydrophobicContact CZ2-CE2 4.44Å; W374-Y402 AromaticContact NE1-CD2 3.39Å; W374-Y402 AromaticContact NE1-CE2 3.22Å; W374-Y402 AromaticContact NE1-CZ 3.9Å; I375-Y402 PolarHBondContact O-N 3.42Å; D376-Y402 HydrophobicContact CB-CD2 4.16Å; D376-Y402 WeakPolarHBondContact OD2-CD2 3.4Å; L377-Y402 PolarHBondContact N-O 2.91Å; R400-Y402 HydrophobicContact CB-CE1 4.43Å; Y402-E421 HydrophobicContact CE1-CG 4.04Å; Y402-E421 PolarHBondContact OH-OE1 3.23Å; Y402-K423 HydrophobicContact CD1-CB 3.88Å; Y402-K423 HydrophobicContact CD1-CD 3.97Å; Y402-K423 HydrophobicContact CD1-CG 3.7Å; Y402-K423 HydrophobicContact CE1-CD 4.07Å; Y402-K423 HydrophobicContact CE1-CG 3.96Å; Y402-K423 HydrophobicContact CG-CB 4.48Å
403	L	98.3	Very high	96.5	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	23%	0.233	C	C	.	.			trans	-131.5	21.7	-178	-70	162.7	0	0	0	110.7	L377 I382 L401 N406 L408 P412 K423 I424 N427	L377-L403 HydrophobicContact CB-CD2 3.86Å; L377-L403 HydrophobicContact CD1-CD2 4.02Å; I382-L403 HydrophobicContact CD1-CD2 4.33Å; L401-L403 HydrophobicContact CD1-CD1 4.46Å; L401-L403 HydrophobicContact CD1-CG 4.31Å; L401-L403 HydrophobicContact CD2-CD1 4.04Å; L401-L403 HydrophobicContact CG-CD1 4.07Å; L401-L403 HydrophobicContact CG-CG 4.26Å; L403-N406 PolarHBondContact O-ND2 3.26Å; L403-L408 HydrophobicContact CB-CD1 4Å; L403-L408 HydrophobicContact CD1-CD1 3.99Å; L403-L408 HydrophobicContact CD2-CD1 4.44Å; L403-L408 HydrophobicContact CG-CD1 4.38Å; L403-P412 HydrophobicContact CD1-CG 4.06Å; L403-K423 PolarHBondContact N-O 3.37Å; L403-I424 HydrophobicContact CB-CG1 4.39Å; L403-I424 HydrophobicContact CB-CG2 4.2Å; L403-I424 HydrophobicContact CD1-CG1 4.49Å; L403-N427 PolarHBondContact O-ND2 2.92Å
404	D	98.6	Very high	96.4	Very high	32 Å²	32	47.5 Å²	47.5	17%	0.171	23%	0.234	C	C	.	.			trans	-61.4	138.9	-173	-65	-46.8	0	0	0	112.6	S378 K379 K423 I424 N425	S378-D404 CarbonylContact C-O 3.18Å; S378-D404 WeakPolarHBondContact CA-O 3.32Å; S378-D404 WeakPolarHBondContact CB-O 3.48Å; S378-D404 PolarHBondContact OG-N 3.1Å; K379-D404 PolarHBondContact N-O 3.5Å; D404-K423 WeakPolarHBondContact OD1-CB 3.12Å; D404-K423 WeakPolarHBondContact OD2-CB 3.15Å; D404-I424 PolarHBondContact OD1-N 3.41Å; D404-N425 CarbonylContact C-O 3.58Å; D404-N425 WeakPolarHBondContact CA-O 3.46Å; D404-N425 WeakPolarHBondContact OD1-CA 3.19Å; D404-N425 WeakPolarHBondContact OD1-CB 3.29Å; D404-N425 PolarHBondContact OD1-N 3.31Å; D404-N425 PolarHBondContact OD1-ND2 3.03Å
405	G	98.1	Very high	96.6	Very high	29 Å²	29	45.2 Å²	45.2	30%	0.299	22%	0.223	S	C	.	.	S	Bend	trans	63.8	45.8	177.2	0	0	0	0	0	113.7	K379 N425 D426 N427	K379-G405 WeakPolarHBondContact CA-O 3.26Å; G405-N425 PolarHBondContact N-O 2.87Å; G405-D426 WeakPolarHBondContact CA-O 3.46Å; G405-N427 PolarHBondContact N-ND2 2.97Å
406	N	98.4	Very high	96.6	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	23%	0.227	C	C	.	.	S	Bend	trans	-113.9	-173.5	172.8	-84.2	-82.5	0	0	0	110.5	L377 N380 I382 L403 L408 N427	L377-N406 PolarHBondContact O-ND2 3.38Å; N380-N406 WeakPolarHBondContact CA-OD1 3.14Å; N380-N406 WeakPolarHBondContact CB-OD1 3.38Å; N380-N406 PolarHBondContact N-OD1 2.86Å; N380-N406 PolarHBondContact O-OD1 3.41Å; N380-N406 VanDerWaalsContact O-OD1 3.05Å; I382-N406 HydrophobicContact CB-CB 4.42Å; I382-N406 VanDerWaalsContact CB-OD1 3.28Å; I382-N406 WeakPolarHBondContact CB-OD1 3.04Å; I382-N406 WeakPolarHBondContact CD1-OD1 3.49Å; I382-N406 VanDerWaalsContact CG1-OD1 3.3Å; I382-N406 WeakPolarHBondContact CG1-OD1 3.5Å; I382-N406 PolarHBondContact N-OD1 3.08Å; L403-N406 PolarHBondContact O-ND2 3.26Å; N406-L408 HydrophobicContact CB-CG 4.21Å; N406-N427 WeakPolarHBondContact CA-OD1 3.43Å; N406-N427 VanDerWaalsContact CB-OD1 3.24Å; N406-N427 WeakPolarHBondContact CB-OD1 3.24Å; N406-N427 PolarHBondContact N-ND2 3.3Å; N406-N427 PolarHBondContact O-OD1 2.81Å; N406-N427 VanDerWaalsContact O-OD1 3.08Å
407	M	97.7	Very high	96.6	Very high	84 Å²	84	40.9 Å²	40.9	41%	0.414	21%	0.213	S	C	.	.	B	Isolated β-bridge	trans	-106.2	34.5	-179	-57.8	-60.9	-63.5	0	0	111.9	I382 T383 H428	I382-M407 CarbonylContact O-C 3.52Å; I382-M407 VanDerWaalsContact O-C 3.27Å; I382-M407 VanDerWaalsContact O-CA 3.32Å; I382-M407 WeakPolarHBondContact O-CA 3.13Å; I382-M407 WeakPolarHBondContact O-CB 3.28Å; I382-M407 PolarHBondContact O-N 3.26Å; T383-M407 HydrophobicContact CG2-CB 3.96Å; M407-H428 WeakPolarHBondContact CE-NE2 3.4Å
408	L	98.1	Very high	96.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.206	C	C	.	.			trans	-75.8	136.7	-178.4	-56.3	179	0	0	0	111.7	I382 I387 L403 N406 I424 N427 H428 L429	I382-L408 HydrophobicContact CB-CD2 4.47Å; I382-L408 HydrophobicContact CG2-CD2 4.03Å; I387-L408 HydrophobicContact CD1-CD2 3.74Å; L403-L408 HydrophobicContact CB-CD1 4Å; L403-L408 HydrophobicContact CD1-CD1 3.99Å; L403-L408 HydrophobicContact CD2-CD1 4.44Å; L403-L408 HydrophobicContact CG-CD1 4.38Å; N406-L408 HydrophobicContact CB-CG 4.21Å; L408-I424 HydrophobicContact CD1-CG2 3.8Å; L408-N427 HydrophobicContact CB-CB 4.41Å; L408-N427 WeakPolarHBondContact CB-OD1 3.32Å; L408-N427 VanDerWaalsContact CG-OD1 3.27Å; L408-N427 WeakPolarHBondContact CG-OD1 3.35Å; L408-N427 PolarHBondContact N-OD1 3.08Å; L408-H428 CarbonylContact O-C 3.46Å; L408-H428 WeakPolarHBondContact O-CA 3.35Å; L408-H428 WeakPolarHBondContact O-CB 3.1Å; L408-H428 PolarHBondContact O-N 3.26Å; L408-L429 HydrophobicContact CB-CD2 4.14Å; L408-L429 PolarHBondContact O-N 2.62Å
409	V	97.2	Very high	96.6	Very high	55 Å²	55	38.5 Å²	38.5	33%	0.333	21%	0.206	S	C	.	.	S	Bend	trans	-110.5	-24.9	-176.4	176.5	0	0	0	0	111.4	S384 H428 L429 H430	S384-V409 PolarHBondContact OG-N 3.48Å; V409-H428 HydrophobicContact CG2-CB 4.44Å; V409-L429 WeakPolarHBondContact O-CA 3.48Å; V409-H430 VanDerWaalsContact CG1-CE1 3.5Å; V409-H430 WeakPolarHBondContact CG1-CE1 3.4Å; V409-H430 VanDerWaalsContact CG1-ND1 3.26Å; V409-H430 WeakPolarHBondContact CG1-ND1 3.24Å; V409-H430 PolarHBondContact O-N 3.11Å; V409-H430 PolarHBondContact O-ND1 2.89Å
410	H	96	Very high	96.6	Very high	87 Å²	87	39.4 Å²	39.4	40%	0.403	21%	0.211	S	C	.	.	S	Bend	trans	-134.2	154.5	169.8	-57.5	-92.8	0	0	0	109.9	S384 H430	S384-H410 PolarHBondContact OG-N 3.28Å; S384-H410 PolarHBondContact OG-O 3.41Å; H410-H430 AromaticContact CE1-CE1 3.47Å; H410-H430 PolarHBondContact CE1-CE1 2.75Å; H410-H430 VanDerWaalsContact CE1-CE1 3.47Å; H410-H430 AromaticContact NE2-CE1 3.52Å
411	I	96.3	Very high	96.6	Very high	15 Å²	15	35.8 Å²	35.8	8%	0.077	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-66.5	142.1	169.1	-58.5	-179.2	0	0	0	108.4	L415 I424 L429 I432 T436 L437 L448	I411-L415 HydrophobicContact CG2-CD1 3.88Å; I411-I424 HydrophobicContact CB-CD1 4.45Å; I411-I424 HydrophobicContact CG1-CD1 4.12Å; I411-I424 HydrophobicContact CG2-CD1 4Å; I411-L429 HydrophobicContact CD1-CD1 4.5Å; I411-L429 HydrophobicContact CG1-CD1 3.91Å; I411-L429 HydrophobicContact CG1-CD2 4.15Å; I411-I432 HydrophobicContact CD1-CD1 4.07Å; I411-I432 HydrophobicContact CD1-CG1 4.14Å; I411-I432 HydrophobicContact CD1-CG2 4.41Å; I411-T436 HydrophobicContact CB-CG2 3.85Å; I411-T436 HydrophobicContact CD1-CG2 4.3Å; I411-T436 HydrophobicContact CG1-CG2 4.48Å; I411-T436 HydrophobicContact CG2-CG2 4.26Å; I411-L437 HydrophobicContact CD1-CD2 4.04Å; I411-L437 HydrophobicContact CG2-CD2 4.46Å; I411-L448 HydrophobicContact CD1-CD2 4.34Å
412	P	94.3	Very high	96.6	Very high	11 Å²	11	35.9 Å²	35.9	7%	0.071	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-58.4	145.8	178.4	-24.3	34	0	0	0	113.5	I387 F392 L403 L415	I387-P412 HydrophobicContact CD1-CG 3.92Å; I387-P412 HydrophobicContact CG2-CB 4.49Å; F392-P412 HydrophobicContact CD2-CB 4.23Å; F392-P412 HydrophobicContact CE2-CB 4.07Å; F392-P412 HydrophobicContact CE2-CG 4.21Å; L403-P412 HydrophobicContact CD1-CG 4.06Å; P412-L415 HydrophobicContact CB-CD1 4.47Å; P412-L415 HydrophobicContact CB-CD2 4.07Å; P412-L415 HydrophobicContact CB-CG 4.21Å
413	S	90.2	Very high	96.6	Very high	64 Å²	64	35.6 Å²	35.6	45%	0.448	20%	0.199	S	C	.	.	S	Bend	trans	-74.5	163.1	171.7	54.9	0	0	0	0	112.2	P389 L415	P389-S413 WeakPolarHBondContact CA-OG 3.45Å; P389-S413 PolarHBondContact O-OG 2.85Å; S413-L415 PolarHBondContact O-N 3.16Å
414	E	90.6	Very high	96.6	Very high	88 Å²	88	35.6 Å²	35.6	41%	0.411	20%	0.199	S	C	.	.	S	Bend	trans	51.8	31.9	170.6	-54.5	-158.7	-144.6	0	0	115.5	P389 K393	P389-E414 WeakPolarHBondContact O-CB 3.18Å; K393-E414 WeakPolarHBondContact CD-OE2 3.23Å; K393-E414 WeakPolarHBondContact CE-OE2 3.44Å; K393-E414 IonicContact NZ-OE1 3.59Å; K393-E414 IonicContact NZ-OE2 3.57Å; K393-E414 PolarHBondContact NZ-OE2 2.79Å
415	L	95.1	Very high	96.6	Very high	17 Å²	17	34.6 Å²	34.6	9%	0.089	19%	0.194	C	C	.	.			trans	-61.6	133.8	175.8	-73.5	174.2	0	0	0	111.3	F392 L401 I411 P412 S413 S417 L419 I422 L440	F392-L415 HydrophobicContact CB-CD2 4.17Å; F392-L415 HydrophobicContact CD2-CD2 3.79Å; F392-L415 HydrophobicContact CE2-CD2 4.44Å; F392-L415 HydrophobicContact CG-CD2 4.05Å; L401-L415 HydrophobicContact CD2-CD2 3.58Å; I411-L415 HydrophobicContact CG2-CD1 3.88Å; P412-L415 HydrophobicContact CB-CD1 4.47Å; P412-L415 HydrophobicContact CB-CD2 4.07Å; P412-L415 HydrophobicContact CB-CG 4.21Å; S413-L415 PolarHBondContact O-N 3.16Å; L415-S417 PolarHBondContact O-N 3.17Å; L415-L419 HydrophobicContact CB-CD1 3.99Å; L415-L419 HydrophobicContact CD2-CD1 4.23Å; L415-I422 HydrophobicContact CD1-CD1 4.29Å; L415-L440 HydrophobicContact CB-CD2 4.02Å; L415-L440 HydrophobicContact CD1-CD1 4.42Å
416	P	94.9	Very high	96.6	Very high	14 Å²	14	37.1 Å²	37.1	9%	0.091	20%	0.2	C	C	.	.			trans	-66.6	133.4	-173.8	24.7	-33.7	0	0	0	112.1	L398 T418 L419	L398-P416 HydrophobicContact CB-CG 4Å; L398-P416 HydrophobicContact CD2-CG 4.05Å; P416-T418 PolarHBondContact O-N 3.16Å; P416-L419 HydrophobicContact CG-CD1 4.1Å; P416-L419 HydrophobicContact CG-CG 4.22Å; P416-L419 WeakPolarHBondContact O-CB 3.39Å; P416-L419 WeakPolarHBondContact O-CG 3.49Å; P416-L419 PolarHBondContact O-N 2.71Å; P416-L419 VanDerWaalsContact O-N 3.08Å
417	S	95.3	Very high	96.6	Very high	59 Å²	59	37.1 Å²	37.1	41%	0.413	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-0.9	-178.3	55.8	0	0	0	0	115.1	L415 L419 D439 N442	L415-S417 PolarHBondContact O-N 3.17Å; S417-L419 VanDerWaalsContact C-N 3.32Å; S417-D439 WeakPolarHBondContact CB-O 3.4Å; S417-N442 PolarHBondContact O-ND2 3.27Å
418	T	97.2	Very high	96.6	Very high	46 Å²	46	36.8 Å²	36.8	28%	0.282	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-8.5	169.7	51	0	0	0	0	113.8	L398 P416 E420	L398-T418 PolarHBondContact N-OG1 2.98Å; L398-T418 CarbonylContact O-C 3.58Å; L398-T418 WeakPolarHBondContact O-CB 3.48Å; L398-T418 PolarHBondContact O-OG1 2.99Å; P416-T418 PolarHBondContact O-N 3.16Å; T418-E420 PolarHBondContact O-N 2.77Å
419	L	98.1	Very high	96.6	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.198	C	C	.	.			trans	-63.6	125.2	-179.9	-75.7	165	0	0	0	111.8	L398 L401 L415 P416 S417 I422 L440 N442 L443	L398-L419 HydrophobicContact CB-CD2 4.42Å; L398-L419 HydrophobicContact CD2-CD2 3.95Å; L398-L419 HydrophobicContact CG-CD2 3.8Å; L398-L419 WeakPolarHBondContact O-CA 3.36Å; L398-L419 PolarHBondContact O-N 2.97Å; L401-L419 HydrophobicContact CB-CD2 3.9Å; L415-L419 HydrophobicContact CB-CD1 3.99Å; L415-L419 HydrophobicContact CD2-CD1 4.23Å; P416-L419 HydrophobicContact CG-CD1 4.1Å; P416-L419 HydrophobicContact CG-CG 4.22Å; P416-L419 WeakPolarHBondContact O-CB 3.39Å; P416-L419 WeakPolarHBondContact O-CG 3.49Å; P416-L419 PolarHBondContact O-N 2.71Å; P416-L419 VanDerWaalsContact O-N 3.08Å; S417-L419 VanDerWaalsContact C-N 3.32Å; L419-I422 HydrophobicContact CB-CD1 4.25Å; L419-I422 HydrophobicContact CB-CG1 4.3Å; L419-I422 HydrophobicContact CD1-CD1 3.83Å; L419-I422 HydrophobicContact CD1-CG1 4.09Å; L419-I422 HydrophobicContact CD2-CG1 4.4Å; L419-L440 HydrophobicContact CB-CD2 4.34Å; L419-L440 HydrophobicContact CD1-CD2 4.22Å; L419-N442 CarbonylContact O-C 3.46Å; L419-L443 HydrophobicContact CB-CD1 4.35Å; L419-L443 VanDerWaalsContact O-CA 3.29Å; L419-L443 WeakPolarHBondContact O-CA 3.39Å; L419-L443 PolarHBondContact O-N 3.3Å
420	E	98.4	Very high	96.5	Very high	79 Å²	79	38.1 Å²	38.1	37%	0.369	20%	0.2	S	C	.	.	S	Bend	trans	-100.7	-28	175	-63.3	171.7	-170.6	0	0	110.8	K399 T418 V444 T445	K399-E420 HydrophobicContact CB-CB 4.41Å; K399-E420 HydrophobicContact CB-CG 4.21Å; K399-E420 HydrophobicContact CG-CG 4.31Å; K399-E420 PolarHBondContact O-N 3.33Å; T418-E420 PolarHBondContact O-N 2.77Å; E420-V444 WeakPolarHBondContact O-CA 3.22Å; E420-V444 WeakPolarHBondContact O-CB 3.31Å; E420-V444 PolarHBondContact O-N 2.77Å; E420-T445 PolarHBondContact O-N 3.49Å
421	E	98.8	Very high	96.5	Very high	32 Å²	32	34.9 Å²	34.9	15%	0.15	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	122.8	-173.2	-174.3	175.9	177.7	0	0	112	K399 R400 L401 Y402 K423 T445	K399-E421 PolarHBondContact O-N 3.08Å; R400-E421 WeakPolarHBondContact CA-O 3.29Å; R400-E421 VanDerWaalsContact CD-OE2 3.28Å; R400-E421 WeakPolarHBondContact CD-OE2 3.41Å; R400-E421 HydrophobicContact CG-CB 4.1Å; R400-E421 IonicContact CZ-OE2 3.63Å; R400-E421 IonicContact NE-OE2 3.58Å; R400-E421 PolarHBondContact NE-OE2 2.9Å; L401-E421 PolarHBondContact N-O 2.83Å; Y402-E421 HydrophobicContact CE1-CG 4.04Å; Y402-E421 PolarHBondContact OH-OE1 3.23Å; E421-K423 IonicContact OE1-NZ 2.68Å; E421-K423 PolarHBondContact OE1-NZ 2.96Å; E421-T445 WeakPolarHBondContact CA-O 3.34Å; E421-T445 HydrophobicContact CG-CG2 3.98Å
422	I	98.5	Very high	96.5	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	131.7	177.3	-67.4	171.4	0	0	0	109.5	L401 L415 L419 I424 L440 L443 T445 L446 E447	L401-I422 WeakPolarHBondContact O-CA 3.38Å; L415-I422 HydrophobicContact CD1-CD1 4.29Å; L419-I422 HydrophobicContact CB-CD1 4.25Å; L419-I422 HydrophobicContact CB-CG1 4.3Å; L419-I422 HydrophobicContact CD1-CD1 3.83Å; L419-I422 HydrophobicContact CD1-CG1 4.09Å; L419-I422 HydrophobicContact CD2-CG1 4.4Å; I422-I424 HydrophobicContact CG2-CD1 3.91Å; I422-I424 HydrophobicContact CG2-CG1 3.76Å; I422-L440 HydrophobicContact CD1-CD1 3.7Å; I422-L443 HydrophobicContact CB-CD1 4.08Å; I422-L443 HydrophobicContact CD1-CD1 3.69Å; I422-L443 HydrophobicContact CD1-CD2 4.17Å; I422-L443 HydrophobicContact CG1-CD1 3.62Å; I422-T445 PolarHBondContact N-O 3.12Å; I422-L446 HydrophobicContact CB-CD1 4.09Å; I422-L446 HydrophobicContact CG2-CD1 3.99Å; I422-E447 PolarHBondContact O-N 2.88Å
423	K	98.8	Very high	96.5	Very high	30 Å²	30	38 Å²	38	13%	0.13	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.7	172.4	-58.8	-164.3	174.2	82.6	0	111.6	L401 Y402 L403 D404 E421 E447	L401-K423 PolarHBondContact O-N 2.91Å; Y402-K423 HydrophobicContact CD1-CB 3.88Å; Y402-K423 HydrophobicContact CD1-CD 3.97Å; Y402-K423 HydrophobicContact CD1-CG 3.7Å; Y402-K423 HydrophobicContact CE1-CD 4.07Å; Y402-K423 HydrophobicContact CE1-CG 3.96Å; Y402-K423 HydrophobicContact CG-CB 4.48Å; L403-K423 PolarHBondContact N-O 3.37Å; D404-K423 WeakPolarHBondContact OD1-CB 3.12Å; D404-K423 WeakPolarHBondContact OD2-CB 3.15Å; E421-K423 IonicContact OE1-NZ 2.68Å; E421-K423 PolarHBondContact OE1-NZ 2.96Å; K423-E447 HydrophobicContact CB-CB 4.33Å; K423-E447 HydrophobicContact CD-CG 4.43Å; K423-E447 WeakPolarHBondContact CD-OE2 3.13Å; K423-E447 WeakPolarHBondContact CE-OE1 3.48Å; K423-E447 WeakPolarHBondContact CE-OE2 3.36Å; K423-E447 HydrophobicContact CG-CB 4.07Å; K423-E447 HydrophobicContact CG-CG 4.1Å
424	I	98.4	Very high	96.6	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.204	C	C	.	.			trans	-138.1	44.7	177.3	-36.3	177.6	0	0	0	109.1	L403 D404 L408 I411 I422 N427 L429 E447 L448 N451	L403-I424 HydrophobicContact CB-CG1 4.39Å; L403-I424 HydrophobicContact CB-CG2 4.2Å; L403-I424 HydrophobicContact CD1-CG1 4.49Å; D404-I424 PolarHBondContact OD1-N 3.41Å; L408-I424 HydrophobicContact CD1-CG2 3.8Å; I411-I424 HydrophobicContact CB-CD1 4.45Å; I411-I424 HydrophobicContact CG1-CD1 4.12Å; I411-I424 HydrophobicContact CG2-CD1 4Å; I422-I424 HydrophobicContact CG2-CD1 3.91Å; I422-I424 HydrophobicContact CG2-CG1 3.76Å; I424-N427 HydrophobicContact CG2-CB 4.13Å; I424-L429 HydrophobicContact CB-CD1 4.15Å; I424-L429 HydrophobicContact CG2-CD1 3.95Å; I424-L429 HydrophobicContact CG2-CG 4.47Å; I424-E447 PolarHBondContact N-O 2.94Å; I424-L448 HydrophobicContact CB-CD2 4.03Å; I424-L448 HydrophobicContact CD1-CD2 4.38Å; I424-L448 HydrophobicContact CG1-CD2 4.34Å; I424-N451 PolarHBondContact O-ND2 3.31Å
425	N	98.6	Very high	96.6	Very high	12 Å²	12	40.5 Å²	40.5	6%	0.064	21%	0.213	C	C	.	.			trans	-70.2	159.6	177.2	-56.6	-75	0	0	0	111.4	D404 G405 N427 E447 E449	D404-N425 CarbonylContact C-O 3.58Å; D404-N425 WeakPolarHBondContact CA-O 3.46Å; D404-N425 WeakPolarHBondContact OD1-CA 3.19Å; D404-N425 WeakPolarHBondContact OD1-CB 3.29Å; D404-N425 PolarHBondContact OD1-N 3.31Å; D404-N425 PolarHBondContact OD1-ND2 3.03Å; G405-N425 PolarHBondContact N-O 2.87Å; N425-N427 PolarHBondContact O-N 2.85Å; N425-N427 VanDerWaalsContact O-N 3.17Å; N425-N427 PolarHBondContact O-ND2 3.43Å; N425-E447 WeakPolarHBondContact ND2-CB 3.41Å; N425-E447 PolarHBondContact ND2-OE2 2.89Å; N425-E447 WeakPolarHBondContact OD1-CB 3.41Å; N425-E449 CarbonylContact C-O 3.49Å; N425-E449 WeakPolarHBondContact CA-O 3.45Å; N425-E449 HydrophobicContact CB-CB 4.33Å; N425-E449 WeakPolarHBondContact OD1-CA 3.26Å; N425-E449 WeakPolarHBondContact OD1-CB 3.13Å; N425-E449 PolarHBondContact OD1-N 2.95Å
426	D	98.4	Very high	96.5	Very high	82 Å²	82	41.9 Å²	41.9	44%	0.439	22%	0.222	S	C	.	.	S	Bend	trans	48.5	42.8	174.9	-65.2	-45	0	0	0	113.8	G405 E449 R476	G405-D426 WeakPolarHBondContact CA-O 3.46Å; D426-E449 PolarHBondContact N-O 3.06Å; D426-R476 IonicContact OD1-CZ 2.63Å; D426-R476 IonicContact OD1-NE 2.7Å; D426-R476 IonicContact OD1-NH2 2.82Å; D426-R476 PolarHBondContact OD1-NH2 2.9Å; D426-R476 IonicContact OD2-NH2 3.32Å; D426-R476 PolarHBondContact OD2-NH2 2.87Å
427	N	98.6	Very high	96.5	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.011	22%	0.218	C	C	.	.	S	Bend	trans	-109.6	-162	175.7	-89.5	-97.7	0	0	0	109.9	L403 G405 N406 L408 I424 N425 L429 N451	L403-N427 PolarHBondContact O-ND2 2.92Å; G405-N427 PolarHBondContact N-ND2 2.97Å; N406-N427 WeakPolarHBondContact CA-OD1 3.43Å; N406-N427 VanDerWaalsContact CB-OD1 3.24Å; N406-N427 WeakPolarHBondContact CB-OD1 3.24Å; N406-N427 PolarHBondContact N-ND2 3.3Å; N406-N427 PolarHBondContact O-OD1 2.81Å; N406-N427 VanDerWaalsContact O-OD1 3.08Å; L408-N427 HydrophobicContact CB-CB 4.41Å; L408-N427 WeakPolarHBondContact CB-OD1 3.32Å; L408-N427 VanDerWaalsContact CG-OD1 3.27Å; L408-N427 WeakPolarHBondContact CG-OD1 3.35Å; L408-N427 PolarHBondContact N-OD1 3.08Å; I424-N427 HydrophobicContact CG2-CB 4.13Å; N425-N427 PolarHBondContact O-N 2.85Å; N425-N427 VanDerWaalsContact O-N 3.17Å; N425-N427 PolarHBondContact O-ND2 3.43Å; N427-L429 HydrophobicContact CB-CG 4.4Å; N427-N451 WeakPolarHBondContact CA-OD1 3.5Å; N427-N451 WeakPolarHBondContact CB-OD1 3.41Å; N427-N451 PolarHBondContact O-OD1 2.66Å
428	H	97.8	Very high	96.5	Very high	78 Å²	78	42.5 Å²	42.5	36%	0.361	22%	0.217	S	C	.	.			trans	-120.8	27.5	179.7	-65.1	-5.9	0	0	0	112.6	M407 L408 V409 H430 N451	M407-H428 WeakPolarHBondContact CE-NE2 3.4Å; L408-H428 CarbonylContact O-C 3.46Å; L408-H428 WeakPolarHBondContact O-CA 3.35Å; L408-H428 WeakPolarHBondContact O-CB 3.1Å; L408-H428 PolarHBondContact O-N 3.26Å; V409-H428 HydrophobicContact CG2-CB 4.44Å; H428-H430 PolarHBondContact O-N 3.45Å; H428-N451 PolarHBondContact N-OD1 2.94Å
429	L	97.9	Very high	96.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.227	C	C	.	.			trans	-58.1	124.6	-179.2	-58.7	177.4	0	0	0	110.5	L408 V409 I411 I424 N427 L448 N451 Q452 L453	L408-L429 HydrophobicContact CB-CD2 4.14Å; L408-L429 PolarHBondContact O-N 2.62Å; V409-L429 WeakPolarHBondContact O-CA 3.48Å; I411-L429 HydrophobicContact CD1-CD1 4.5Å; I411-L429 HydrophobicContact CG1-CD1 3.91Å; I411-L429 HydrophobicContact CG1-CD2 4.15Å; I424-L429 HydrophobicContact CB-CD1 4.15Å; I424-L429 HydrophobicContact CG2-CD1 3.95Å; I424-L429 HydrophobicContact CG2-CG 4.47Å; N427-L429 HydrophobicContact CB-CG 4.4Å; L429-L448 HydrophobicContact CD1-CD2 3.71Å; L429-N451 HydrophobicContact CB-CB 4.02Å; L429-N451 VanDerWaalsContact CB-OD1 3.31Å; L429-N451 WeakPolarHBondContact CB-OD1 3.25Å; L429-N451 VanDerWaalsContact CG-OD1 3.28Å; L429-N451 WeakPolarHBondContact CG-OD1 3.26Å; L429-N451 PolarHBondContact N-OD1 3.36Å; L429-Q452 CarbonylContact O-C 3.51Å; L429-Q452 VanDerWaalsContact O-CA 3.29Å; L429-Q452 WeakPolarHBondContact O-CA 3.22Å; L429-Q452 WeakPolarHBondContact O-CB 3.46Å; L429-Q452 PolarHBondContact O-N 2.9Å; L429-L453 HydrophobicContact CB-CD2 4.12Å
430	H	94.4	Very high	96.2	Very high	83 Å²	83	44.9 Å²	44.9	38%	0.384	23%	0.228	S	C	.	.			trans	-127.3	1.7	-169.8	83	-68.5	0	0	0	114.4	V409 H410 H428 Q452 N457	V409-H430 VanDerWaalsContact CG1-CE1 3.5Å; V409-H430 WeakPolarHBondContact CG1-CE1 3.4Å; V409-H430 VanDerWaalsContact CG1-ND1 3.26Å; V409-H430 WeakPolarHBondContact CG1-ND1 3.24Å; V409-H430 PolarHBondContact O-N 3.11Å; V409-H430 PolarHBondContact O-ND1 2.89Å; H410-H430 AromaticContact CE1-CE1 3.47Å; H410-H430 PolarHBondContact CE1-CE1 2.75Å; H410-H430 VanDerWaalsContact CE1-CE1 3.47Å; H410-H430 AromaticContact NE2-CE1 3.52Å; H428-H430 PolarHBondContact O-N 3.45Å; H430-Q452 HydrophobicContact CB-CB 4.34Å; H430-N457 WeakPolarHBondContact O-CB 3.14Å; H430-N457 PolarHBondContact O-ND2 3.04Å
431	A	95.8	Very high	96	Very high	18 Å²	18	45.5 Å²	45.5	15%	0.149	23%	0.229	C	C	.	.			trans	-157.4	155.3	170.6	0	0	0	0	0	109.9	N457	A431-N457 CarbonylContact C-O 3.43Å; A431-N457 WeakPolarHBondContact CA-O 3.45Å; A431-N457 HydrophobicContact CB-CB 4.43Å
432	I	96.6	Very high	95.9	Very high	1 Å²	1	48 Å²	48	1%	0.005	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-141.1	116.3	164	-52.6	175.4	0	0	0	107.5	I411 T436 L437 L448 L453 N457 V458 S459 A462 F463	I411-I432 HydrophobicContact CD1-CD1 4.07Å; I411-I432 HydrophobicContact CD1-CG1 4.14Å; I411-I432 HydrophobicContact CD1-CG2 4.41Å; I432-T436 HydrophobicContact CG2-CG2 4.23Å; I432-L437 HydrophobicContact CG2-CD1 3.97Å; I432-L437 HydrophobicContact CG2-CG 4.25Å; I432-L448 HydrophobicContact CD1-CD1 3.85Å; I432-L453 HydrophobicContact CD1-CD1 3.76Å; I432-L453 HydrophobicContact CD1-CD2 4.13Å; I432-L453 HydrophobicContact CG1-CD1 4.47Å; I432-L453 HydrophobicContact CG1-CD2 3.91Å; I432-N457 PolarHBondContact N-O 2.74Å; I432-V458 HydrophobicContact CB-CG1 4.36Å; I432-V458 HydrophobicContact CB-CG2 4.25Å; I432-V458 HydrophobicContact CD1-CG2 4.25Å; I432-V458 HydrophobicContact CG1-CG2 4.19Å; I432-V458 WeakPolarHBondContact O-CA 3.24Å; I432-S459 PolarHBondContact O-N 2.82Å; I432-A462 HydrophobicContact CB-CB 4.33Å; I432-A462 HydrophobicContact CG2-CB 3.79Å; I432-F463 HydrophobicContact CD1-CE1 4.25Å; I432-F463 HydrophobicContact CD1-CZ 4.13Å
433	D	93.9	Very high	95.9	Very high	92 Å²	92	47.9 Å²	47.9	49%	0.492	24%	0.243	S	C	.	.			trans	-86.5	170.5	-178.1	-54.9	-62.9	0	0	0	111.2	D435 T436	D433-D435 PolarHBondContact O-N 3.31Å; D433-T436 PolarHBondContact N-OG1 2.71Å; D433-T436 VanDerWaalsContact N-OG1 3.14Å; D433-T436 PolarHBondContact O-N 3.26Å; D433-T436 PolarHBondContact O-OG1 3.35Å
434	E	92.2	Very high	95.9	Very high	91 Å²	91	49 Å²	49	43%	0.425	25%	0.253	S	S	.	.	S	Bend	trans	-64.1	-38.6	-176.2	-175.3	166.9	167	0	0	112.9	L461	E434-L461 HydrophobicContact CG-CB 3.83Å; E434-L461 VanDerWaalsContact OE1-CD1 3.3Å; E434-L461 WeakPolarHBondContact OE1-CD1 3.14Å
435	D	91.6	Very high	95.9	Very high	113 Å²	113	50.3 Å²	50.3	60%	0.604	26%	0.26	S	S	*	.	S	Bend	trans	-81.7	-19.1	-177.6	-59.4	-63.5	0	0	0	113.6	D433 L437 Q438	D433-D435 PolarHBondContact O-N 3.31Å; D435-L437 PolarHBondContact O-N 3.24Å; D435-Q438 WeakPolarHBondContact O-CB 2.96Å; D435-Q438 PolarHBondContact O-N 3.03Å; D435-Q438 VanDerWaalsContact O-N 3.08Å; D435-Q438 PolarHBondContact OD1-NE2 3.46Å
436	T	92.9	Very high	95.9	Very high	45 Å²	45	49.8 Å²	49.8	28%	0.276	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-30.5	-171.7	-52.6	0	0	0	0	113.8	I411 I432 D433	I411-T436 HydrophobicContact CB-CG2 3.85Å; I411-T436 HydrophobicContact CD1-CG2 4.3Å; I411-T436 HydrophobicContact CG1-CG2 4.48Å; I411-T436 HydrophobicContact CG2-CG2 4.26Å; I432-T436 HydrophobicContact CG2-CG2 4.23Å; D433-T436 PolarHBondContact N-OG1 2.71Å; D433-T436 VanDerWaalsContact N-OG1 3.14Å; D433-T436 PolarHBondContact O-N 3.26Å; D433-T436 PolarHBondContact O-OG1 3.35Å
437	L	95.3	Very high	96	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.5	11.6	-175.6	-57.7	175.9	0	0	0	112.6	I411 I432 D435 D439 L440 L446 F463 L466	I411-L437 HydrophobicContact CD1-CD2 4.04Å; I411-L437 HydrophobicContact CG2-CD2 4.46Å; I432-L437 HydrophobicContact CG2-CD1 3.97Å; I432-L437 HydrophobicContact CG2-CG 4.25Å; D435-L437 PolarHBondContact O-N 3.24Å; L437-D439 PolarHBondContact O-N 2.68Å; L437-L440 HydrophobicContact CD2-CD1 3.77Å; L437-L440 PolarHBondContact O-N 2.84Å; L437-L446 HydrophobicContact CD1-CD2 4.15Å; L437-F463 HydrophobicContact CD1-CD1 4.04Å; L437-F463 HydrophobicContact CD1-CE1 4.15Å; L437-L466 HydrophobicContact CB-CD2 4.13Å; L437-L466 HydrophobicContact CD1-CD1 4.23Å
438	Q	93.8	Very high	96	Very high	86 Å²	86	47.3 Å²	47.3	40%	0.402	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-32.9	-164.9	-170.6	175.9	106.6	0	0	114.8	D435 K441 P465	D435-Q438 WeakPolarHBondContact O-CB 2.96Å; D435-Q438 PolarHBondContact O-N 3.03Å; D435-Q438 VanDerWaalsContact O-N 3.08Å; D435-Q438 PolarHBondContact OD1-NE2 3.46Å; Q438-K441 WeakPolarHBondContact O-CE 3.49Å; Q438-K441 PolarHBondContact O-NZ 3.23Å; Q438-P465 HydrophobicContact CB-CG 4.45Å; Q438-P465 HydrophobicContact CG-CG 4.44Å
439	D	92.6	Very high	96	Very high	91 Å²	91	44.3 Å²	44.3	49%	0.487	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	-7.3	-178.5	-88.5	-40.9	0	0	0	115.2	S417 L437 K441	S417-D439 WeakPolarHBondContact CB-O 3.4Å; L437-D439 PolarHBondContact O-N 2.68Å; D439-K441 PolarHBondContact O-N 2.88Å; D439-K441 IonicContact OD1-NZ 2.76Å; D439-K441 PolarHBondContact OD1-NZ 2.93Å
440	L	96.3	Very high	96	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	24%	0.238	C	C	.	.			trans	-80.6	44.6	-176	-57.5	178.2	0	0	0	112.4	L415 L419 I422 L437 N442 L443 L466	L415-L440 HydrophobicContact CB-CD2 4.02Å; L415-L440 HydrophobicContact CD1-CD1 4.42Å; L419-L440 HydrophobicContact CB-CD2 4.34Å; L419-L440 HydrophobicContact CD1-CD2 4.22Å; I422-L440 HydrophobicContact CD1-CD1 3.7Å; L437-L440 HydrophobicContact CD2-CD1 3.77Å; L437-L440 PolarHBondContact O-N 2.84Å; L440-N442 PolarHBondContact O-N 3.32Å; L440-L443 HydrophobicContact CB-CB 4.19Å; L440-L443 HydrophobicContact CB-CD2 4.48Å; L440-L443 WeakPolarHBondContact O-CB 3.41Å; L440-L443 PolarHBondContact O-N 2.93Å; L440-L466 HydrophobicContact CB-CD2 3.72Å; L440-L466 VanDerWaalsContact O-CD2 3.29Å; L440-L466 WeakPolarHBondContact O-CD2 3.45Å
441	K	95.4	Very high	96.2	Very high	93 Å²	93	41.5 Å²	41.5	40%	0.404	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-24.8	-173.2	-69.3	137.9	-178.8	155.3	0	113.4	Q438 D439 S468	Q438-K441 WeakPolarHBondContact O-CE 3.49Å; Q438-K441 PolarHBondContact O-NZ 3.23Å; D439-K441 PolarHBondContact O-N 2.88Å; D439-K441 IonicContact OD1-NZ 2.76Å; D439-K441 PolarHBondContact OD1-NZ 2.93Å; K441-S468 WeakPolarHBondContact O-CB 3.25Å; K441-S468 PolarHBondContact O-N 3.39Å; K441-S468 PolarHBondContact O-OG 3.27Å
442	N	97.1	Very high	96.3	Very high	84 Å²	84	44.1 Å²	44.1	45%	0.449	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-4	178.1	-61.8	-50.5	0	0	0	113.9	S417 L419 L440 V444	S417-N442 PolarHBondContact O-ND2 3.27Å; L419-N442 CarbonylContact O-C 3.46Å; L440-N442 PolarHBondContact O-N 3.32Å; N442-V444 PolarHBondContact O-N 2.57Å
443	L	98.3	Very high	96.3	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.23	C	C	.	.			trans	-65.7	123.6	-175.7	-168.9	73.4	0	0	0	110.6	L419 I422 L440 L446 L466 S468 L469	L419-L443 HydrophobicContact CB-CD1 4.35Å; L419-L443 VanDerWaalsContact O-CA 3.29Å; L419-L443 WeakPolarHBondContact O-CA 3.39Å; L419-L443 PolarHBondContact O-N 3.3Å; I422-L443 HydrophobicContact CB-CD1 4.08Å; I422-L443 HydrophobicContact CD1-CD1 3.69Å; I422-L443 HydrophobicContact CD1-CD2 4.17Å; I422-L443 HydrophobicContact CG1-CD1 3.62Å; L440-L443 HydrophobicContact CB-CB 4.19Å; L440-L443 HydrophobicContact CB-CD2 4.48Å; L440-L443 WeakPolarHBondContact O-CB 3.41Å; L440-L443 PolarHBondContact O-N 2.93Å; L443-L446 HydrophobicContact CD2-CB 3.93Å; L443-L446 HydrophobicContact CD2-CD1 4.26Å; L443-L446 HydrophobicContact CD2-CD2 4.22Å; L443-L446 HydrophobicContact CD2-CG 4.36Å; L443-L466 HydrophobicContact CB-CD2 4.27Å; L443-L466 HydrophobicContact CD2-CD1 4.39Å; L443-L466 HydrophobicContact CD2-CD2 4.06Å; L443-S468 CarbonylContact O-C 3.6Å; L443-L469 HydrophobicContact CD2-CD1 4.21Å; L443-L469 HydrophobicContact CG-CD1 4.19Å; L443-L469 WeakPolarHBondContact O-CA 3.34Å; L443-L469 PolarHBondContact O-N 3.46Å
444	V	98.5	Very high	96.5	Very high	54 Å²	54	40.6 Å²	40.6	33%	0.327	21%	0.213	S	C	.	.			trans	-99.1	-38.6	-179	-176.9	0	0	0	0	110.9	E420 N442 S470 Y471	E420-V444 WeakPolarHBondContact O-CA 3.22Å; E420-V444 WeakPolarHBondContact O-CB 3.31Å; E420-V444 PolarHBondContact O-N 2.77Å; N442-V444 PolarHBondContact O-N 2.57Å; V444-S470 VanDerWaalsContact CG1-OG 3.31Å; V444-S470 WeakPolarHBondContact CG1-OG 3.44Å; V444-S470 PolarHBondContact O-N 2.83Å; V444-S470 PolarHBondContact O-OG 3.03Å; V444-Y471 PolarHBondContact O-N 3.37Å
445	T	98.8	Very high	96.5	Very high	26 Å²	26	39.5 Å²	39.5	16%	0.16	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125	-174.6	-63.9	0	0	0	0	110.9	E420 E421 I422 E447 Y471	E420-T445 PolarHBondContact O-N 3.49Å; E421-T445 WeakPolarHBondContact CA-O 3.34Å; E421-T445 HydrophobicContact CG-CG2 3.98Å; I422-T445 PolarHBondContact N-O 3.12Å; T445-E447 HydrophobicContact CG2-CG 4.29Å; T445-Y471 HydrophobicContact CG2-CD1 3.91Å; T445-Y471 HydrophobicContact CG2-CG 4.46Å
446	L	98.7	Very high	96.6	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	117	175.1	-179.8	54.7	0	0	0	110.9	I422 L437 L443 L448 F463 L466 L469 Y471 L472 R473	I422-L446 HydrophobicContact CB-CD1 4.09Å; I422-L446 HydrophobicContact CG2-CD1 3.99Å; L437-L446 HydrophobicContact CD1-CD2 4.15Å; L443-L446 HydrophobicContact CD2-CB 3.93Å; L443-L446 HydrophobicContact CD2-CD1 4.26Å; L443-L446 HydrophobicContact CD2-CD2 4.22Å; L443-L446 HydrophobicContact CD2-CG 4.36Å; L446-L448 HydrophobicContact CD1-CD1 4.14Å; L446-L448 HydrophobicContact CD1-CD2 4.1Å; L446-L448 HydrophobicContact CD1-CG 3.96Å; L446-L448 HydrophobicContact CD2-CD1 4.04Å; L446-L448 HydrophobicContact CG-CD1 3.97Å; L446-L448 HydrophobicContact CG-CG 4.07Å; L446-F463 HydrophobicContact CD2-CD1 4.25Å; L446-F463 HydrophobicContact CD2-CE1 4.11Å; L446-L466 HydrophobicContact CD2-CD1 3.95Å; L446-L469 HydrophobicContact CB-CD1 3.67Å; L446-Y471 PolarHBondContact N-O 3.14Å; L446-L472 HydrophobicContact CB-CD1 4.03Å; L446-L472 HydrophobicContact CD2-CD1 4Å; L446-L472 HydrophobicContact CG-CD1 4.01Å; L446-R473 PolarHBondContact O-N 2.82Å
447	E	98.8	Very high	96.7	Very high	32 Å²	32	38.6 Å²	38.6	15%	0.15	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	125.4	176.7	-54.4	-172.3	-171	0	0	112.6	I422 K423 I424 N425 T445 Y471 R473	I422-E447 PolarHBondContact O-N 2.88Å; K423-E447 HydrophobicContact CB-CB 4.33Å; K423-E447 HydrophobicContact CD-CG 4.43Å; K423-E447 WeakPolarHBondContact CD-OE2 3.13Å; K423-E447 WeakPolarHBondContact CE-OE1 3.48Å; K423-E447 WeakPolarHBondContact CE-OE2 3.36Å; K423-E447 HydrophobicContact CG-CB 4.07Å; K423-E447 HydrophobicContact CG-CG 4.1Å; I424-E447 PolarHBondContact N-O 2.94Å; N425-E447 WeakPolarHBondContact ND2-CB 3.41Å; N425-E447 PolarHBondContact ND2-OE2 2.89Å; N425-E447 WeakPolarHBondContact OD1-CB 3.41Å; T445-E447 HydrophobicContact CG2-CG 4.29Å; E447-Y471 HydrophobicContact CG-CD1 4.48Å; E447-Y471 HydrophobicContact CG-CE1 4.08Å; E447-R473 HydrophobicContact CB-CB 4.24Å; E447-R473 HydrophobicContact CG-CB 4.08Å
448	L	98.4	Very high	96.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.217	C	C	.	.			trans	-139.6	26.5	-174.1	-60.5	172.4	0	0	0	110.7	I411 I424 L429 I432 L446 N451 L453 F463 R473 L474 N477	I411-L448 HydrophobicContact CD1-CD2 4.34Å; I424-L448 HydrophobicContact CB-CD2 4.03Å; I424-L448 HydrophobicContact CD1-CD2 4.38Å; I424-L448 HydrophobicContact CG1-CD2 4.34Å; L429-L448 HydrophobicContact CD1-CD2 3.71Å; I432-L448 HydrophobicContact CD1-CD1 3.85Å; L446-L448 HydrophobicContact CD1-CD1 4.14Å; L446-L448 HydrophobicContact CD1-CD2 4.1Å; L446-L448 HydrophobicContact CD1-CG 3.96Å; L446-L448 HydrophobicContact CD2-CD1 4.04Å; L446-L448 HydrophobicContact CG-CD1 3.97Å; L446-L448 HydrophobicContact CG-CG 4.07Å; L448-N451 PolarHBondContact O-ND2 3.22Å; L448-L453 HydrophobicContact CB-CD1 4.3Å; L448-L453 HydrophobicContact CD1-CD1 4.3Å; L448-F463 HydrophobicContact CD1-CE1 4.3Å; L448-R473 CarbonylContact C-O 3.36Å; L448-R473 WeakPolarHBondContact CA-O 3.3Å; L448-R473 PolarHBondContact N-O 3.5Å; L448-L474 HydrophobicContact CB-CD2 3.98Å; L448-L474 HydrophobicContact CD1-CD2 4Å; L448-N477 PolarHBondContact O-ND2 3.01Å
449	E	98.4	Very high	96.8	Very high	16 Å²	16	36.3 Å²	36.3	8%	0.075	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	145.9	-178.8	-154.1	-173.2	171.1	0	0	111.4	N425 D426 N451 R473 G475 R476	N425-E449 CarbonylContact C-O 3.49Å; N425-E449 WeakPolarHBondContact CA-O 3.45Å; N425-E449 HydrophobicContact CB-CB 4.33Å; N425-E449 WeakPolarHBondContact OD1-CA 3.26Å; N425-E449 WeakPolarHBondContact OD1-CB 3.13Å; N425-E449 PolarHBondContact OD1-N 2.95Å; D426-E449 PolarHBondContact N-O 3.06Å; E449-N451 PolarHBondContact O-N 3.15Å; E449-N451 PolarHBondContact O-ND2 2.71Å; E449-R473 HydrophobicContact CB-CG 4.2Å; E449-R473 PolarHBondContact N-O 2.91Å; E449-R473 IonicContact OE1-NH2 2.74Å; E449-R473 PolarHBondContact OE1-NH2 3.27Å; E449-R473 IonicContact OE2-CZ 2.68Å; E449-R473 IonicContact OE2-NE 2.76Å; E449-R473 PolarHBondContact OE2-NE 3.07Å; E449-R473 IonicContact OE2-NH2 2.67Å; E449-R473 PolarHBondContact OE2-NH2 3.17Å; E449-G475 CarbonylContact C-O 3.27Å; E449-G475 VanDerWaalsContact CA-O 3.24Å; E449-G475 WeakPolarHBondContact CA-O 3.13Å; E449-G475 VanDerWaalsContact CG-C 3.42Å; E449-G475 WeakPolarHBondContact CG-O 3.44Å; E449-R476 VanDerWaalsContact CD-CZ 3.41Å; E449-R476 HydrophobicContact CG-CB 4.2Å; E449-R476 HydrophobicContact CG-CG 4.11Å; E449-R476 WeakPolarHBondContact OE1-CG 3.35Å; E449-R476 IonicContact OE1-CZ 3.76Å; E449-R476 IonicContact OE1-NE 3.69Å; E449-R476 IonicContact OE1-NH1 2.59Å; E449-R476 PolarHBondContact OE1-NH1 3.07Å; E449-R476 IonicContact OE2-CZ 3.61Å; E449-R476 IonicContact OE2-NH1 2.76Å; E449-R476 PolarHBondContact OE2-NH1 2.84Å; E449-R476 VanDerWaalsContact OE2-NH1 3.15Å
450	G	98.3	Very high	96.8	Very high	17 Å²	17	35.5 Å²	35.5	18%	0.175	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	23.3	170.8	0	0	0	0	0	115.1	G475 R476	G450-G475 PolarHBondContact N-O 2.91Å; G450-R476 WeakPolarHBondContact CA-O 3.23Å
451	N	98.6	Very high	96.6	Very high	7 Å²	7	38.7 Å²	38.7	4%	0.037	22%	0.224	C	C	.	.	S	Bend	trans	-100.1	-165.2	176.8	-79	-74.1	0	0	0	111.8	I424 N427 H428 L429 L448 E449 L453 N477	I424-N451 PolarHBondContact O-ND2 3.31Å; N427-N451 WeakPolarHBondContact CA-OD1 3.5Å; N427-N451 WeakPolarHBondContact CB-OD1 3.41Å; N427-N451 PolarHBondContact O-OD1 2.66Å; H428-N451 PolarHBondContact N-OD1 2.94Å; L429-N451 HydrophobicContact CB-CB 4.02Å; L429-N451 VanDerWaalsContact CB-OD1 3.31Å; L429-N451 WeakPolarHBondContact CB-OD1 3.25Å; L429-N451 VanDerWaalsContact CG-OD1 3.28Å; L429-N451 WeakPolarHBondContact CG-OD1 3.26Å; L429-N451 PolarHBondContact N-OD1 3.36Å; L448-N451 PolarHBondContact O-ND2 3.22Å; E449-N451 PolarHBondContact O-N 3.15Å; E449-N451 PolarHBondContact O-ND2 2.71Å; N451-L453 HydrophobicContact CB-CG 4.18Å; N451-N477 WeakPolarHBondContact CA-OD1 3.22Å; N451-N477 WeakPolarHBondContact CB-OD1 3.46Å; N451-N477 PolarHBondContact O-OD1 3.5Å
452	Q	97.5	Very high	96.6	Very high	73 Å²	73	34.3 Å²	34.3	34%	0.341	21%	0.205	S	C	.	.			trans	-113.9	21.8	-175.5	-55	-157.2	54.3	0	0	113.3	L429 H430 N457 N477	L429-Q452 CarbonylContact O-C 3.51Å; L429-Q452 VanDerWaalsContact O-CA 3.29Å; L429-Q452 WeakPolarHBondContact O-CA 3.22Å; L429-Q452 WeakPolarHBondContact O-CB 3.46Å; L429-Q452 PolarHBondContact O-N 2.9Å; H430-Q452 HydrophobicContact CB-CB 4.34Å; Q452-N457 PolarHBondContact O-ND2 3.2Å; Q452-N477 PolarHBondContact N-OD1 3.31Å
453	L	97.9	Very high	96.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.183	C	C	.	.			trans	-73.3	148.2	-175.3	-53.5	175.4	0	0	0	112.4	L429 I432 L448 N451 N457 V458 L474 N477 K478 F479	L429-L453 HydrophobicContact CB-CD2 4.12Å; I432-L453 HydrophobicContact CD1-CD1 3.76Å; I432-L453 HydrophobicContact CD1-CD2 4.13Å; I432-L453 HydrophobicContact CG1-CD1 4.47Å; I432-L453 HydrophobicContact CG1-CD2 3.91Å; L448-L453 HydrophobicContact CB-CD1 4.3Å; L448-L453 HydrophobicContact CD1-CD1 4.3Å; N451-L453 HydrophobicContact CB-CG 4.18Å; L453-N457 WeakPolarHBondContact CA-OD1 3.46Å; L453-V458 HydrophobicContact CB-CG2 3.98Å; L453-V458 HydrophobicContact CD2-CG2 4Å; L453-V458 HydrophobicContact CG-CG2 4.38Å; L453-L474 HydrophobicContact CD1-CD2 3.94Å; L453-N477 HydrophobicContact CB-CB 4.42Å; L453-N477 VanDerWaalsContact CB-OD1 3.26Å; L453-N477 WeakPolarHBondContact CB-OD1 3.1Å; L453-N477 WeakPolarHBondContact CG-OD1 3.37Å; L453-N477 PolarHBondContact N-OD1 2.8Å; L453-K478 CarbonylContact O-C 3.52Å; L453-K478 WeakPolarHBondContact O-CA 3.5Å; L453-K478 WeakPolarHBondContact O-CB 3.41Å; L453-K478 PolarHBondContact O-N 3.37Å; L453-F479 HydrophobicContact CB-CE2 3.77Å; L453-F479 HydrophobicContact CB-CZ 3.65Å
454	S	96.6	Very high	96.3	Very high	18 Å²	18	36.2 Å²	36.2	13%	0.126	21%	0.207	C	C	.	.			trans	-154.9	170.3	177.2	69.9	0	0	0	0	111.4	A456 N457 V458 F479	S454-A456 PolarHBondContact O-N 2.95Å; S454-A456 VanDerWaalsContact O-N 3.08Å; S454-A456 PolarHBondContact OG-N 3.33Å; S454-N457 PolarHBondContact N-OD1 3.19Å; S454-N457 PolarHBondContact O-N 2.96Å; S454-N457 PolarHBondContact O-OD1 2.94Å; S454-N457 PolarHBondContact OG-ND2 3.36Å; S454-V458 PolarHBondContact O-N 3.42Å; S454-V458 VanDerWaalsContact O-N 3.1Å; S454-F479 VanDerWaalsContact C-CE1 3.44Å
455	E	93.3	Very high	96.1	Very high	69 Å²	69	34.7 Å²	34.7	32%	0.322	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-14.1	174.6	67.7	-74.6	170.2	0	0	114.7	F479 R480 I481	E455-F479 WeakPolarHBondContact OE2-CA 3.41Å; E455-R480 WeakPolarHBondContact OE1-CB 3.19Å; E455-R480 WeakPolarHBondContact OE1-CD 3.33Å; E455-R480 WeakPolarHBondContact OE1-CG 3.42Å; E455-R480 PolarHBondContact OE2-N 2.91Å; E455-I481 HydrophobicContact CB-CD1 3.98Å; E455-I481 HydrophobicContact CB-CG1 3.67Å; E455-I481 HydrophobicContact CG-CD1 4.43Å; E455-I481 HydrophobicContact CG-CG1 4.09Å
456	A	93.3	Very high	95.9	Very high	93 Å²	93	33.4 Å²	33.4	77%	0.769	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-6.8	-179.7	0	0	0	0	0	113.8	S454	S454-A456 PolarHBondContact O-N 2.95Å; S454-A456 VanDerWaalsContact O-N 3.08Å; S454-A456 PolarHBondContact OG-N 3.33Å
457	N	95.4	Very high	95.7	Very high	45 Å²	45	37.9 Å²	37.9	24%	0.241	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-134.2	-6.1	-177.4	66	23.1	0	0	0	114.8	H430 A431 I432 Q452 L453 S454	H430-N457 WeakPolarHBondContact O-CB 3.14Å; H430-N457 PolarHBondContact O-ND2 3.04Å; A431-N457 CarbonylContact C-O 3.43Å; A431-N457 WeakPolarHBondContact CA-O 3.45Å; A431-N457 HydrophobicContact CB-CB 4.43Å; I432-N457 PolarHBondContact N-O 2.74Å; Q452-N457 PolarHBondContact O-ND2 3.2Å; L453-N457 WeakPolarHBondContact CA-OD1 3.46Å; S454-N457 PolarHBondContact N-OD1 3.19Å; S454-N457 PolarHBondContact O-N 2.96Å; S454-N457 PolarHBondContact O-OD1 2.94Å; S454-N457 PolarHBondContact OG-ND2 3.36Å
458	V	96.3	Very high	95.7	Very high	12 Å²	12	38.9 Å²	38.9	7%	0.073	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-100.4	123.8	167.1	174.9	0	0	0	0	108.7	I432 L453 S454 A462 F463 F479	I432-V458 HydrophobicContact CB-CG1 4.36Å; I432-V458 HydrophobicContact CB-CG2 4.25Å; I432-V458 HydrophobicContact CD1-CG2 4.25Å; I432-V458 HydrophobicContact CG1-CG2 4.19Å; I432-V458 WeakPolarHBondContact O-CA 3.24Å; L453-V458 HydrophobicContact CB-CG2 3.98Å; L453-V458 HydrophobicContact CD2-CG2 4Å; L453-V458 HydrophobicContact CG-CG2 4.38Å; S454-V458 PolarHBondContact O-N 3.42Å; S454-V458 VanDerWaalsContact O-N 3.1Å; V458-A462 HydrophobicContact CG1-CB 3.98Å; V458-F463 HydrophobicContact CG1-CE2 3.78Å; V458-F463 HydrophobicContact CG1-CZ 4.14Å; V458-F479 HydrophobicContact CB-CE1 4.39Å; V458-F479 HydrophobicContact CG2-CE1 4.18Å; V458-F479 HydrophobicContact CG2-CZ 4Å
459	S	95.1	Very high	95.7	Very high	28 Å²	28	38.9 Å²	38.9	20%	0.196	22%	0.22	C	C	.	.			trans	-56.8	135.3	175.1	170.4	0	0	0	0	110.5	I432 L461 A462	I432-S459 PolarHBondContact O-N 2.82Å; S459-L461 PolarHBondContact O-N 3.28Å; S459-L461 PolarHBondContact OG-N 3.26Å; S459-A462 WeakPolarHBondContact O-CB 3.28Å; S459-A462 PolarHBondContact O-N 2.68Å
460	P	91.6	Very high	95.7	Very high	73 Å²	73	39.4 Å²	39.4	47%	0.474	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-8.5	172.4	-27.1	36.2	0	0	0	115.3	Q484 G485	P460-Q484 HydrophobicContact CB-CB 4.19Å; P460-Q484 CarbonylContact O-C 3.4Å; P460-G485 VanDerWaalsContact O-CA 3.25Å; P460-G485 WeakPolarHBondContact O-CA 3.44Å; P460-G485 PolarHBondContact O-N 3.36Å
461	L	92.1	Very high	95.7	Very high	72 Å²	72	40.7 Å²	40.7	38%	0.377	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	-3.2	176.7	-64	177.5	0	0	0	113.8	E434 S459 F463 Y464 P465	E434-L461 HydrophobicContact CG-CB 3.83Å; E434-L461 VanDerWaalsContact OE1-CD1 3.3Å; E434-L461 WeakPolarHBondContact OE1-CD1 3.14Å; S459-L461 PolarHBondContact O-N 3.28Å; S459-L461 PolarHBondContact OG-N 3.26Å; L461-F463 VanDerWaalsContact C-N 3.31Å; L461-F463 PolarHBondContact O-N 3.03Å; L461-F463 VanDerWaalsContact O-N 3.16Å; L461-Y464 VanDerWaalsContact O-CB 3.3Å; L461-Y464 WeakPolarHBondContact O-CB 3.35Å; L461-Y464 PolarHBondContact O-N 2.99Å; L461-P465 VanDerWaalsContact O-CD 3.28Å; L461-P465 WeakPolarHBondContact O-CD 3.35Å
462	A	94.8	Very high	95.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-38.9	-174.3	0	0	0	0	0	114.7	I432 V458 S459	I432-A462 HydrophobicContact CB-CB 4.33Å; I432-A462 HydrophobicContact CG2-CB 3.79Å; V458-A462 HydrophobicContact CG1-CB 3.98Å; S459-A462 WeakPolarHBondContact O-CB 3.28Å; S459-A462 PolarHBondContact O-N 2.68Å
463	F	95.5	Very high	95.7	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-10.2	179.4	-54.9	-61.9	0	0	0	113.7	I432 L437 L446 L448 V458 L461 L466 L472 L474 P483 L486	I432-F463 HydrophobicContact CD1-CE1 4.25Å; I432-F463 HydrophobicContact CD1-CZ 4.13Å; L437-F463 HydrophobicContact CD1-CD1 4.04Å; L437-F463 HydrophobicContact CD1-CE1 4.15Å; L446-F463 HydrophobicContact CD2-CD1 4.25Å; L446-F463 HydrophobicContact CD2-CE1 4.11Å; L448-F463 HydrophobicContact CD1-CE1 4.3Å; V458-F463 HydrophobicContact CG1-CE2 3.78Å; V458-F463 HydrophobicContact CG1-CZ 4.14Å; L461-F463 VanDerWaalsContact C-N 3.31Å; L461-F463 PolarHBondContact O-N 3.03Å; L461-F463 VanDerWaalsContact O-N 3.16Å; F463-L466 HydrophobicContact CB-CD1 4.47Å; F463-L466 HydrophobicContact CD1-CD1 4.18Å; F463-L466 WeakPolarHBondContact O-CB 3.31Å; F463-L466 PolarHBondContact O-N 2.93Å; F463-L472 HydrophobicContact CD1-CD2 4.48Å; F463-L472 HydrophobicContact CE1-CD1 4.3Å; F463-L472 HydrophobicContact CG-CD2 4.43Å; F463-L474 HydrophobicContact CE2-CD1 4.08Å; F463-L474 HydrophobicContact CZ-CD1 4Å; F463-L474 HydrophobicContact CZ-CD2 4.11Å; F463-P483 HydrophobicContact CD2-CB 4.43Å; F463-P483 HydrophobicContact CE2-CB 4.21Å; F463-L486 HydrophobicContact CD2-CD2 4.4Å
464	Y	93.8	Very high	95.8	Very high	124 Å²	124	38.6 Å²	38.6	49%	0.486	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-35.1	-175	-179.6	-107.1	0	0	0	114.2	L461 L466 K467 G485	L461-Y464 VanDerWaalsContact O-CB 3.3Å; L461-Y464 WeakPolarHBondContact O-CB 3.35Å; L461-Y464 PolarHBondContact O-N 2.99Å; Y464-L466 PolarHBondContact O-N 3.34Å; Y464-K467 WeakPolarHBondContact O-CE 3.5Å; Y464-K467 PolarHBondContact O-NZ 3.27Å; Y464-G485 VanDerWaalsContact CA-O 3.31Å; Y464-G485 WeakPolarHBondContact CA-O 3.32Å; Y464-G485 PolarHBondContact N-O 2.86Å
465	P	94.3	Very high	95.8	Very high	21 Å²	21	37.7 Å²	37.7	14%	0.136	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.6	177.4	-26.1	36.2	0	0	0	115.5	Q438 L461 K467	Q438-P465 HydrophobicContact CB-CG 4.45Å; Q438-P465 HydrophobicContact CG-CG 4.44Å; L461-P465 VanDerWaalsContact O-CD 3.28Å; L461-P465 WeakPolarHBondContact O-CD 3.35Å; P465-K467 WeakPolarHBondContact O-CG 3.31Å; P465-K467 PolarHBondContact O-N 3.25Å
466	L	96.3	Very high	96.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.21	C	C	.	.			trans	-78.6	73.2	-168.7	-57.1	176.4	0	0	0	112.5	L437 L440 L443 L446 F463 Y464 S468 L469 P487 S489	L437-L466 HydrophobicContact CB-CD2 4.13Å; L437-L466 HydrophobicContact CD1-CD1 4.23Å; L440-L466 HydrophobicContact CB-CD2 3.72Å; L440-L466 VanDerWaalsContact O-CD2 3.29Å; L440-L466 WeakPolarHBondContact O-CD2 3.45Å; L443-L466 HydrophobicContact CB-CD2 4.27Å; L443-L466 HydrophobicContact CD2-CD1 4.39Å; L443-L466 HydrophobicContact CD2-CD2 4.06Å; L446-L466 HydrophobicContact CD2-CD1 3.95Å; F463-L466 HydrophobicContact CB-CD1 4.47Å; F463-L466 HydrophobicContact CD1-CD1 4.18Å; F463-L466 WeakPolarHBondContact O-CB 3.31Å; F463-L466 PolarHBondContact O-N 2.93Å; Y464-L466 PolarHBondContact O-N 3.34Å; L466-S468 VanDerWaalsContact C-N 3.27Å; L466-S468 PolarHBondContact O-N 3.21Å; L466-L469 HydrophobicContact CB-CB 3.87Å; L466-L469 HydrophobicContact CB-CD2 4.41Å; L466-L469 HydrophobicContact CD1-CD1 4.5Å; L466-L469 HydrophobicContact CD1-CD2 3.94Å; L466-L469 PolarHBondContact O-N 2.97Å; L466-P487 HydrophobicContact CB-CG 4.44Å; L466-P487 WeakPolarHBondContact O-CB 3.33Å; L466-S489 PolarHBondContact O-OG 2.85Å
467	K	94.6	Very high	96.3	Very high	94 Å²	94	35.2 Å²	35.2	41%	0.409	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-14.2	-168.3	-56.4	-45.3	-178.2	-175.8	0	115.9	Y464 P465 S489	Y464-K467 WeakPolarHBondContact O-CE 3.5Å; Y464-K467 PolarHBondContact O-NZ 3.27Å; P465-K467 WeakPolarHBondContact O-CG 3.31Å; P465-K467 PolarHBondContact O-N 3.25Å; K467-S489 WeakPolarHBondContact O-CB 3.22Å; K467-S489 PolarHBondContact O-OG 3.1Å
468	S	97.4	Very high	96.4	Very high	54 Å²	54	37 Å²	37	38%	0.378	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	1.1	176.9	-69.2	0	0	0	0	114.2	K441 L443 L466 S470	K441-S468 WeakPolarHBondContact O-CB 3.25Å; K441-S468 PolarHBondContact O-N 3.39Å; K441-S468 PolarHBondContact O-OG 3.27Å; L443-S468 CarbonylContact O-C 3.6Å; L466-S468 VanDerWaalsContact C-N 3.27Å; L466-S468 PolarHBondContact O-N 3.21Å; S468-S470 PolarHBondContact O-N 3Å
469	L	98.1	Very high	96.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.178	C	C	.	.			trans	-72.4	116	-170.7	-171.1	81.9	0	0	0	110.8	L443 L446 L466 L472 P487 S489 I490	L443-L469 HydrophobicContact CD2-CD1 4.21Å; L443-L469 HydrophobicContact CG-CD1 4.19Å; L443-L469 WeakPolarHBondContact O-CA 3.34Å; L443-L469 PolarHBondContact O-N 3.46Å; L446-L469 HydrophobicContact CB-CD1 3.67Å; L466-L469 HydrophobicContact CB-CB 3.87Å; L466-L469 HydrophobicContact CB-CD2 4.41Å; L466-L469 HydrophobicContact CD1-CD1 4.5Å; L466-L469 HydrophobicContact CD1-CD2 3.94Å; L466-L469 PolarHBondContact O-N 2.97Å; L469-L472 HydrophobicContact CD2-CB 4.05Å; L469-L472 HydrophobicContact CD2-CD1 4.32Å; L469-L472 HydrophobicContact CD2-CD2 4.33Å; L469-L472 HydrophobicContact CD2-CG 4.47Å; L469-P487 HydrophobicContact CB-CG 3.98Å; L469-P487 HydrophobicContact CD2-CG 3.86Å; L469-S489 PolarHBondContact N-OG 2.65Å; L469-S489 CarbonylContact O-C 3.28Å; L469-S489 WeakPolarHBondContact O-CB 3.3Å; L469-S489 PolarHBondContact O-OG 3.29Å; L469-I490 VanDerWaalsContact O-CA 3.23Å; L469-I490 WeakPolarHBondContact O-CA 3.28Å; L469-I490 PolarHBondContact O-N 2.97Å; L469-I490 VanDerWaalsContact O-N 3.15Å
470	S	98.2	Very high	96.5	Very high	26 Å²	26	41.8 Å²	41.8	18%	0.182	19%	0.194	C	C	.	.			trans	-102.7	-32.7	174.6	63.7	0	0	0	0	112.4	V444 S468 E491 E492	V444-S470 VanDerWaalsContact CG1-OG 3.31Å; V444-S470 WeakPolarHBondContact CG1-OG 3.44Å; V444-S470 PolarHBondContact O-N 2.83Å; V444-S470 PolarHBondContact O-OG 3.03Å; S468-S470 PolarHBondContact O-N 3Å; S470-E491 PolarHBondContact O-N 3.47Å; S470-E492 PolarHBondContact O-N 3.08Å
471	Y	98.7	Very high	96.7	Very high	45 Å²	45	40.5 Å²	40.5	18%	0.176	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.2	-176.7	-171.5	-83.8	0	0	0	111.7	V444 T445 L446 E447 R473 E492 Y494	V444-Y471 PolarHBondContact O-N 3.37Å; T445-Y471 HydrophobicContact CG2-CD1 3.91Å; T445-Y471 HydrophobicContact CG2-CG 4.46Å; L446-Y471 PolarHBondContact N-O 3.14Å; E447-Y471 HydrophobicContact CG-CD1 4.48Å; E447-Y471 HydrophobicContact CG-CE1 4.08Å; Y471-R473 HydrophobicContact CD1-CB 4.5Å; Y471-R473 HydrophobicContact CE1-CB 3.76Å; Y471-E492 HydrophobicContact CD2-CB 3.95Å; Y471-E492 HydrophobicContact CD2-CG 4.42Å; Y471-E492 HydrophobicContact CE2-CB 4.4Å; Y471-E492 WeakPolarHBondContact CE2-OE2 3.1Å; Y471-Y494 HydrophobicContact CD2-CD2 4.49Å; Y471-Y494 AromaticContact CD2-CE2 4Å; Y471-Y494 HydrophobicContact CD2-CE2 4Å; Y471-Y494 HydrophobicContact CE1-CD2 4.41Å; Y471-Y494 AromaticContact CE2-CD2 3.77Å; Y471-Y494 HydrophobicContact CE2-CD2 3.77Å; Y471-Y494 AromaticContact CE2-CE2 3.2Å; Y471-Y494 HydrophobicContact CE2-CE2 3.2Å; Y471-Y494 AromaticContact CE2-CZ 3.99Å; Y471-Y494 AromaticContact CZ-CD2 3.69Å; Y471-Y494 AromaticContact CZ-CE2 3.54Å; Y471-Y494 WeakPolarHBondContact OH-CE2 3.48Å
472	L	98.6	Very high	96.8	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	123.2	175.7	-177.9	57.1	0	0	0	111.7	L446 F463 L469 L474 L486 I490 E492 L493 Y494	L446-L472 HydrophobicContact CB-CD1 4.03Å; L446-L472 HydrophobicContact CD2-CD1 4Å; L446-L472 HydrophobicContact CG-CD1 4.01Å; F463-L472 HydrophobicContact CD1-CD2 4.48Å; F463-L472 HydrophobicContact CE1-CD1 4.3Å; F463-L472 HydrophobicContact CG-CD2 4.43Å; L469-L472 HydrophobicContact CD2-CB 4.05Å; L469-L472 HydrophobicContact CD2-CD1 4.32Å; L469-L472 HydrophobicContact CD2-CD2 4.33Å; L469-L472 HydrophobicContact CD2-CG 4.47Å; L472-L474 HydrophobicContact CD1-CD1 4.2Å; L472-L474 HydrophobicContact CD1-CG 4.09Å; L472-L474 HydrophobicContact CD2-CD1 3.8Å; L472-L474 HydrophobicContact CG-CD1 3.91Å; L472-L474 HydrophobicContact CG-CG 4.09Å; L472-L486 HydrophobicContact CD2-CD2 3.58Å; L472-I490 HydrophobicContact CB-CD1 3.7Å; L472-I490 HydrophobicContact CD2-CD1 4.12Å; L472-E492 PolarHBondContact N-O 3.41Å; L472-L493 HydrophobicContact CB-CD1 4.3Å; L472-L493 HydrophobicContact CD2-CD1 4.15Å; L472-L493 HydrophobicContact CG-CD1 4.3Å; L472-Y494 PolarHBondContact O-N 3.13Å
473	R	98.7	Very high	96.7	Very high	35 Å²	35	37.7 Å²	37.7	13%	0.132	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	108.5	-178.8	-173.5	174.9	-170.4	66.8	14.6	112.2	L446 E447 L448 E449 Y471 Y494 E496	L446-R473 PolarHBondContact O-N 2.82Å; E447-R473 HydrophobicContact CB-CB 4.24Å; E447-R473 HydrophobicContact CG-CB 4.08Å; L448-R473 CarbonylContact C-O 3.36Å; L448-R473 WeakPolarHBondContact CA-O 3.3Å; L448-R473 PolarHBondContact N-O 3.5Å; E449-R473 HydrophobicContact CB-CG 4.2Å; E449-R473 PolarHBondContact N-O 2.91Å; E449-R473 IonicContact OE1-NH2 2.74Å; E449-R473 PolarHBondContact OE1-NH2 3.27Å; E449-R473 IonicContact OE2-CZ 2.68Å; E449-R473 IonicContact OE2-NE 2.76Å; E449-R473 PolarHBondContact OE2-NE 3.07Å; E449-R473 IonicContact OE2-NH2 2.67Å; E449-R473 PolarHBondContact OE2-NH2 3.17Å; Y471-R473 HydrophobicContact CD1-CB 4.5Å; Y471-R473 HydrophobicContact CE1-CB 3.76Å; R473-Y494 VanDerWaalsContact NH1-CD1 3.33Å; R473-E496 IonicContact CZ-OE1 3.15Å; R473-E496 VanDerWaalsContact CZ-OE1 3.3Å; R473-E496 IonicContact NH1-OE1 2.83Å; R473-E496 PolarHBondContact NH1-OE1 2.82Å; R473-E496 VanDerWaalsContact NH1-OE1 3.07Å; R473-E496 IonicContact NH2-OE1 3.1Å; R473-E496 PolarHBondContact NH2-OE1 2.79Å
474	L	98.4	Very high	96.4	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.189	C	C	.	.			trans	-124.2	18	-175.9	-72.8	168.7	0	0	0	112.4	L448 L453 F463 L472 N477 F479 P483 Y494 L495 N498	L448-L474 HydrophobicContact CB-CD2 3.98Å; L448-L474 HydrophobicContact CD1-CD2 4Å; L453-L474 HydrophobicContact CD1-CD2 3.94Å; F463-L474 HydrophobicContact CE2-CD1 4.08Å; F463-L474 HydrophobicContact CZ-CD1 4Å; F463-L474 HydrophobicContact CZ-CD2 4.11Å; L472-L474 HydrophobicContact CD1-CD1 4.2Å; L472-L474 HydrophobicContact CD1-CG 4.09Å; L472-L474 HydrophobicContact CD2-CD1 3.8Å; L472-L474 HydrophobicContact CG-CD1 3.91Å; L472-L474 HydrophobicContact CG-CG 4.09Å; L474-N477 WeakPolarHBondContact O-CB 3.49Å; L474-N477 PolarHBondContact O-ND2 3.47Å; L474-N477 VanDerWaalsContact O-ND2 3.16Å; L474-F479 HydrophobicContact CB-CE2 4.15Å; L474-F479 HydrophobicContact CD1-CE2 4.35Å; L474-F479 HydrophobicContact CD2-CE2 4.01Å; L474-F479 HydrophobicContact CD2-CZ 4.33Å; L474-F479 HydrophobicContact CG-CE2 4.42Å; L474-P483 HydrophobicContact CD1-CG 3.97Å; L474-Y494 CarbonylContact C-O 3.44Å; L474-Y494 WeakPolarHBondContact CA-O 3.48Å; L474-Y494 PolarHBondContact N-O 3.35Å; L474-L495 HydrophobicContact CB-CD2 3.68Å; L474-L495 HydrophobicContact CD1-CD2 4.3Å; L474-N498 PolarHBondContact O-ND2 3.35Å
475	G	98.3	Very high	96.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	166.7	177	0	0	0	0	0	113.9	E449 G450 N477 Y494 E496	E449-G475 CarbonylContact C-O 3.27Å; E449-G475 VanDerWaalsContact CA-O 3.24Å; E449-G475 WeakPolarHBondContact CA-O 3.13Å; E449-G475 VanDerWaalsContact CG-C 3.42Å; E449-G475 WeakPolarHBondContact CG-O 3.44Å; G450-G475 PolarHBondContact N-O 2.91Å; G475-N477 PolarHBondContact O-N 3.19Å; G475-N477 PolarHBondContact O-ND2 3.1Å; G475-Y494 PolarHBondContact N-O 2.8Å; G475-E496 CarbonylContact C-O 3.42Å; G475-E496 WeakPolarHBondContact CA-O 3.3Å
476	R	98.4	Very high	96.1	Very high	100 Å²	100	36.8 Å²	36.8	38%	0.377	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	31.2	-179.5	-52.2	-169.3	-57.7	-108.5	15.1	114.5	D426 E449 G450 E496 N497	D426-R476 IonicContact OD1-CZ 2.63Å; D426-R476 IonicContact OD1-NE 2.7Å; D426-R476 IonicContact OD1-NH2 2.82Å; D426-R476 PolarHBondContact OD1-NH2 2.9Å; D426-R476 IonicContact OD2-NH2 3.32Å; D426-R476 PolarHBondContact OD2-NH2 2.87Å; E449-R476 VanDerWaalsContact CD-CZ 3.41Å; E449-R476 HydrophobicContact CG-CB 4.2Å; E449-R476 HydrophobicContact CG-CG 4.11Å; E449-R476 WeakPolarHBondContact OE1-CG 3.35Å; E449-R476 IonicContact OE1-CZ 3.76Å; E449-R476 IonicContact OE1-NE 3.69Å; E449-R476 IonicContact OE1-NH1 2.59Å; E449-R476 PolarHBondContact OE1-NH1 3.07Å; E449-R476 IonicContact OE2-CZ 3.61Å; E449-R476 IonicContact OE2-NH1 2.76Å; E449-R476 PolarHBondContact OE2-NH1 2.84Å; E449-R476 VanDerWaalsContact OE2-NH1 3.15Å; G450-R476 WeakPolarHBondContact CA-O 3.23Å; R476-E496 PolarHBondContact N-O 3.23Å; R476-N497 WeakPolarHBondContact CA-O 3.41Å; R476-N497 HydrophobicContact CG-CB 4.02Å
477	N	98.5	Very high	96	Very high	9 Å²	9	36.8 Å²	36.8	5%	0.048	17%	0.174	C	C	.	.	S	Bend	trans	-104.4	-159.8	174.8	-84	-86.2	0	0	0	110.1	L448 N451 Q452 L453 L474 G475 F479 N498	L448-N477 PolarHBondContact O-ND2 3.01Å; N451-N477 WeakPolarHBondContact CA-OD1 3.22Å; N451-N477 WeakPolarHBondContact CB-OD1 3.46Å; N451-N477 PolarHBondContact O-OD1 3.5Å; Q452-N477 PolarHBondContact N-OD1 3.31Å; L453-N477 HydrophobicContact CB-CB 4.42Å; L453-N477 VanDerWaalsContact CB-OD1 3.26Å; L453-N477 WeakPolarHBondContact CB-OD1 3.1Å; L453-N477 WeakPolarHBondContact CG-OD1 3.37Å; L453-N477 PolarHBondContact N-OD1 2.8Å; L474-N477 WeakPolarHBondContact O-CB 3.49Å; L474-N477 PolarHBondContact O-ND2 3.47Å; L474-N477 VanDerWaalsContact O-ND2 3.16Å; G475-N477 PolarHBondContact O-N 3.19Å; G475-N477 PolarHBondContact O-ND2 3.1Å; N477-F479 HydrophobicContact CB-CD2 3.81Å; N477-F479 HydrophobicContact CB-CE2 3.93Å; N477-N498 VanDerWaalsContact CA-OD1 3.28Å; N477-N498 WeakPolarHBondContact CA-OD1 3.27Å; N477-N498 WeakPolarHBondContact CB-OD1 3.49Å; N477-N498 PolarHBondContact N-OD1 2.88Å; N477-N498 PolarHBondContact O-OD1 3.13Å
478	K	97.8	Very high	95.9	Very high	84 Å²	84	35.9 Å²	35.9	37%	0.365	18%	0.176	S	C	.	.			trans	-117.2	11.8	-174.2	-55.8	174.6	-172.7	169.7	0	113.8	L453 N498	L453-K478 CarbonylContact O-C 3.52Å; L453-K478 WeakPolarHBondContact O-CA 3.5Å; L453-K478 WeakPolarHBondContact O-CB 3.41Å; L453-K478 PolarHBondContact O-N 3.37Å; K478-N498 PolarHBondContact N-OD1 3.27Å
479	F	97.6	Very high	95.8	Very high	1 Å²	1	34.2 Å²	34.2	0%	0.004	17%	0.165	C	C	.	.			trans	-59.9	134.2	-177.2	-68.5	-75.7	0	0	0	112.9	L453 S454 E455 V458 L474 N477 P483 L495 N498 Q499 I500	L453-F479 HydrophobicContact CB-CE2 3.77Å; L453-F479 HydrophobicContact CB-CZ 3.65Å; S454-F479 VanDerWaalsContact C-CE1 3.44Å; E455-F479 WeakPolarHBondContact OE2-CA 3.41Å; V458-F479 HydrophobicContact CB-CE1 4.39Å; V458-F479 HydrophobicContact CG2-CE1 4.18Å; V458-F479 HydrophobicContact CG2-CZ 4Å; L474-F479 HydrophobicContact CB-CE2 4.15Å; L474-F479 HydrophobicContact CD1-CE2 4.35Å; L474-F479 HydrophobicContact CD2-CE2 4.01Å; L474-F479 HydrophobicContact CD2-CZ 4.33Å; L474-F479 HydrophobicContact CG-CE2 4.42Å; N477-F479 HydrophobicContact CB-CD2 3.81Å; N477-F479 HydrophobicContact CB-CE2 3.93Å; F479-P483 HydrophobicContact CD1-CG 4.11Å; F479-P483 HydrophobicContact CE1-CG 3.89Å; F479-P483 HydrophobicContact CZ-CG 4.17Å; F479-L495 HydrophobicContact CD2-CD2 4.47Å; F479-N498 HydrophobicContact CB-CB 4.41Å; F479-N498 WeakPolarHBondContact CD2-OD1 3.09Å; F479-N498 PolarHBondContact N-OD1 3.26Å; F479-Q499 CarbonylContact O-C 3.27Å; F479-Q499 VanDerWaalsContact O-CA 3.24Å; F479-Q499 WeakPolarHBondContact O-CA 3.16Å; F479-Q499 WeakPolarHBondContact O-CB 3.43Å; F479-Q499 PolarHBondContact O-N 2.94Å; F479-I500 HydrophobicContact CB-CG1 4.36Å; F479-I500 WeakPolarHBondContact O-CG1 3.43Å; F479-I500 PolarHBondContact O-N 3.25Å; F479-I500 VanDerWaalsContact O-N 3.16Å
480	R	95.8	Very high	95.7	Very high	139 Å²	139	34.2 Å²	34.2	53%	0.525	17%	0.165	S	C	.	.	S	Bend	trans	-102.3	-16	173.3	-59.6	-178	179.7	175.9	-0.1	114	E455 Q499 I500 E501	E455-R480 WeakPolarHBondContact OE1-CB 3.19Å; E455-R480 WeakPolarHBondContact OE1-CD 3.33Å; E455-R480 WeakPolarHBondContact OE1-CG 3.42Å; E455-R480 PolarHBondContact OE2-N 2.91Å; R480-Q499 HydrophobicContact CG-CB 4.28Å; R480-I500 VanDerWaalsContact O-CA 3.31Å; R480-I500 WeakPolarHBondContact O-CA 3.32Å; R480-E501 PolarHBondContact O-N 2.95Å
481	I	94.8	Very high	95.7	Very high	45 Å²	45	37.6 Å²	37.6	23%	0.231	18%	0.178	C	C	.	.	S	Bend	trans	-131.1	161.1	171.7	59.7	171.1	0	0	0	109.5	E455 E502	E455-I481 HydrophobicContact CB-CD1 3.98Å; E455-I481 HydrophobicContact CB-CG1 3.67Å; E455-I481 HydrophobicContact CG-CD1 4.43Å; E455-I481 HydrophobicContact CG-CG1 4.09Å; I481-E502 HydrophobicContact CG2-CG 3.7Å
482	I	95.2	Very high	95.7	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.026	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-64.3	133.7	167.2	-66.8	149.8	0	0	0	108.5	L486 L493 L495 I500 V503 C507 F508 L519	I482-L486 HydrophobicContact CG2-CD1 4.02Å; I482-L493 HydrophobicContact CG2-CD2 4.42Å; I482-L495 HydrophobicContact CB-CD1 4.44Å; I482-L495 HydrophobicContact CG1-CD1 3.96Å; I482-L495 HydrophobicContact CG2-CD1 4.23Å; I482-I500 HydrophobicContact CG1-CD1 4.36Å; I482-V503 HydrophobicContact CD1-CB 4.23Å; I482-V503 HydrophobicContact CD1-CG1 3.81Å; I482-V503 HydrophobicContact CD1-CG2 3.87Å; I482-C507 HydrophobicContact CB-CB 4.13Å; I482-C507 HydrophobicContact CG2-CB 4.04Å; I482-F508 HydrophobicContact CD1-CE2 3.91Å; I482-F508 HydrophobicContact CD1-CZ 3.64Å; I482-F508 HydrophobicContact CG1-CZ 4.4Å; I482-F508 HydrophobicContact CG2-CE1 4.01Å; I482-F508 HydrophobicContact CG2-CZ 4.14Å; I482-L519 HydrophobicContact CD1-CD1 4.45Å; I482-L519 HydrophobicContact CD1-CD2 4.49Å; I482-L519 HydrophobicContact CG1-CD2 4.23Å
483	P	92.1	Very high	95.7	Very high	8 Å²	8	38.1 Å²	38.1	5%	0.052	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-55	142.3	179	-26.8	34.4	0	0	0	113	F463 L474 F479 L486	F463-P483 HydrophobicContact CD2-CB 4.43Å; F463-P483 HydrophobicContact CE2-CB 4.21Å; L474-P483 HydrophobicContact CD1-CG 3.97Å; F479-P483 HydrophobicContact CD1-CG 4.11Å; F479-P483 HydrophobicContact CE1-CG 3.89Å; F479-P483 HydrophobicContact CZ-CG 4.17Å; P483-L486 HydrophobicContact CB-CD2 4.44Å
484	Q	88.2	Confident	95.7	Very high	93 Å²	93	38.5 Å²	38.5	44%	0.435	18%	0.184	S	C	.	.	S	Bend	trans	-82.1	165.7	171.4	-62.1	-172.4	8.5	0	0	110.7	P460 L486	P460-Q484 HydrophobicContact CB-CB 4.19Å; P460-Q484 CarbonylContact O-C 3.4Å; Q484-L486 VanDerWaalsContact C-N 3.26Å; Q484-L486 PolarHBondContact O-N 3.36Å
485	G	88.1	Confident	95.7	Very high	27 Å²	27	38.5 Å²	38.5	28%	0.278	18%	0.184	S	C	.	.	S	Bend	trans	70.4	12.9	175.5	0	0	0	0	0	116.1	P460 Y464	P460-G485 VanDerWaalsContact O-CA 3.25Å; P460-G485 WeakPolarHBondContact O-CA 3.44Å; P460-G485 PolarHBondContact O-N 3.36Å; Y464-G485 VanDerWaalsContact CA-O 3.31Å; Y464-G485 WeakPolarHBondContact CA-O 3.32Å; Y464-G485 PolarHBondContact N-O 2.86Å
486	L	93.9	Very high	95.7	Very high	7 Å²	7	39.5 Å²	39.5	4%	0.037	19%	0.188	C	C	.	.			trans	-50.9	136.2	174.7	-68.9	174	0	0	0	111.2	F463 L472 I482 P483 Q484 I490 L493 F508 T511	F463-L486 HydrophobicContact CD2-CD2 4.4Å; L472-L486 HydrophobicContact CD2-CD2 3.58Å; I482-L486 HydrophobicContact CG2-CD1 4.02Å; P483-L486 HydrophobicContact CB-CD2 4.44Å; Q484-L486 VanDerWaalsContact C-N 3.26Å; Q484-L486 PolarHBondContact O-N 3.36Å; L486-I490 HydrophobicContact CD2-CD1 4.41Å; L486-L493 HydrophobicContact CD1-CD2 3.86Å; L486-F508 HydrophobicContact CD1-CE1 4.45Å; L486-T511 HydrophobicContact CB-CG2 3.65Å
487	P	93.8	Very high	95.7	Very high	1 Å²	1	38 Å²	38	1%	0.006	19%	0.188	C	C	.	.			trans	-70.5	149	-173.6	27.9	-33.7	0	0	0	111.7	L466 L469 S489 I490	L466-P487 HydrophobicContact CB-CG 4.44Å; L466-P487 WeakPolarHBondContact O-CB 3.33Å; L469-P487 HydrophobicContact CB-CG 3.98Å; L469-P487 HydrophobicContact CD2-CG 3.86Å; P487-S489 PolarHBondContact O-N 2.84Å; P487-I490 HydrophobicContact CG-CB 4.48Å; P487-I490 WeakPolarHBondContact O-CG2 3.07Å; P487-I490 PolarHBondContact O-N 3.02Å
488	T	93.3	Very high	95.7	Very high	74 Å²	74	38 Å²	38	45%	0.454	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-16.2	-175.5	56.5	0	0	0	0	114.2	H510	T488-H510 HydrophobicContact CG2-CB 4.33Å; T488-H510 WeakPolarHBondContact CG2-O 3.1Å
489	S	95.8	Very high	95.7	Very high	19 Å²	19	37.2 Å²	37.2	13%	0.133	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-12	-177.9	52.7	0	0	0	0	114.7	L466 K467 L469 P487 E491	L466-S489 PolarHBondContact O-OG 2.85Å; K467-S489 WeakPolarHBondContact O-CB 3.22Å; K467-S489 PolarHBondContact O-OG 3.1Å; L469-S489 PolarHBondContact N-OG 2.65Å; L469-S489 CarbonylContact O-C 3.28Å; L469-S489 WeakPolarHBondContact O-CB 3.3Å; L469-S489 PolarHBondContact O-OG 3.29Å; P487-S489 PolarHBondContact O-N 2.84Å; S489-E491 PolarHBondContact O-N 3.15Å
490	I	96.5	Very high	95.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.185	C	C	.	.			trans	-67.1	131.8	-169.7	-169.4	174.6	0	0	0	112.3	L469 L472 L486 P487 L493 T511 N513 I514	L469-I490 VanDerWaalsContact O-CA 3.23Å; L469-I490 WeakPolarHBondContact O-CA 3.28Å; L469-I490 PolarHBondContact O-N 2.97Å; L469-I490 VanDerWaalsContact O-N 3.15Å; L472-I490 HydrophobicContact CB-CD1 3.7Å; L472-I490 HydrophobicContact CD2-CD1 4.12Å; L486-I490 HydrophobicContact CD2-CD1 4.41Å; P487-I490 HydrophobicContact CG-CB 4.48Å; P487-I490 WeakPolarHBondContact O-CG2 3.07Å; P487-I490 PolarHBondContact O-N 3.02Å; I490-L493 HydrophobicContact CD1-CB 4.07Å; I490-L493 HydrophobicContact CD1-CD1 3.95Å; I490-L493 HydrophobicContact CD1-CG 4.49Å; I490-T511 HydrophobicContact CG2-CG2 3.8Å; I490-N513 CarbonylContact O-C 3.45Å; I490-N513 VanDerWaalsContact O-C 3.27Å; I490-I514 HydrophobicContact CG2-CD1 3.94Å; I490-I514 HydrophobicContact CG2-CG1 3.68Å; I490-I514 WeakPolarHBondContact O-CA 3.16Å; I490-I514 VanDerWaalsContact O-CG1 3.3Å; I490-I514 WeakPolarHBondContact O-CG1 3.24Å; I490-I514 PolarHBondContact O-N 2.61Å; I490-I514 VanDerWaalsContact O-N 3.13Å
491	E	97.3	Very high	95.6	Very high	98 Å²	98	33 Å²	33	46%	0.458	17%	0.172	S	C	.	.			trans	-114.4	-40.5	-175.9	-61.8	-175.5	167.2	0	0	111.4	S470 S489 N515 V516	S470-E491 PolarHBondContact O-N 3.47Å; S489-E491 PolarHBondContact O-N 3.15Å; E491-N515 PolarHBondContact O-N 2.92Å; E491-V516 PolarHBondContact O-N 3.06Å
492	E	98.4	Very high	95.3	Very high	55 Å²	55	34.5 Å²	34.5	26%	0.257	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.7	176.1	-51.8	-167.6	-168	0	0	111.8	S470 Y471 L472 Y494 V516	S470-E492 PolarHBondContact O-N 3.08Å; Y471-E492 HydrophobicContact CD2-CB 3.95Å; Y471-E492 HydrophobicContact CD2-CG 4.42Å; Y471-E492 HydrophobicContact CE2-CB 4.4Å; Y471-E492 WeakPolarHBondContact CE2-OE2 3.1Å; L472-E492 PolarHBondContact N-O 3.41Å; E492-Y494 HydrophobicContact CB-CD2 4.38Å; E492-Y494 HydrophobicContact CB-CE2 3.7Å; E492-Y494 VanDerWaalsContact OE2-CE2 3.22Å; E492-Y494 WeakPolarHBondContact OE2-CE2 3.25Å; E492-Y494 PolarHBondContact OE2-OH 2.78Å; E492-V516 HydrophobicContact CB-CB 4.15Å; E492-V516 HydrophobicContact CG-CB 3.99Å; E492-V516 HydrophobicContact CG-CG2 3.96Å
493	L	98.2	Very high	95.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	116.8	-179.9	178.6	63.2	0	0	0	111.7	L472 I482 L486 I490 L495 F508 V516 V518	L472-L493 HydrophobicContact CB-CD1 4.3Å; L472-L493 HydrophobicContact CD2-CD1 4.15Å; L472-L493 HydrophobicContact CG-CD1 4.3Å; I482-L493 HydrophobicContact CG2-CD2 4.42Å; L486-L493 HydrophobicContact CD1-CD2 3.86Å; I490-L493 HydrophobicContact CD1-CB 4.07Å; I490-L493 HydrophobicContact CD1-CD1 3.95Å; I490-L493 HydrophobicContact CD1-CG 4.49Å; L493-L495 HydrophobicContact CD1-CD1 4.13Å; L493-L495 HydrophobicContact CD1-CG 4.17Å; L493-L495 HydrophobicContact CD2-CD1 3.82Å; L493-L495 HydrophobicContact CG-CD1 3.9Å; L493-L495 HydrophobicContact CG-CG 4.19Å; L493-F508 HydrophobicContact CD2-CE1 3.81Å; L493-F508 HydrophobicContact CD2-CZ 4.38Å; L493-V516 PolarHBondContact N-O 3.1Å; L493-V518 PolarHBondContact O-N 2.62Å
494	Y	98.8	Very high	94.7	Very high	43 Å²	43	35.6 Å²	35.6	17%	0.169	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	112	-177.7	-70.3	-93.7	0	0	0	111.3	Y471 L472 R473 L474 G475 E492 E496 V518	Y471-Y494 HydrophobicContact CD2-CD2 4.49Å; Y471-Y494 AromaticContact CD2-CE2 4Å; Y471-Y494 HydrophobicContact CD2-CE2 4Å; Y471-Y494 HydrophobicContact CE1-CD2 4.41Å; Y471-Y494 AromaticContact CE2-CD2 3.77Å; Y471-Y494 HydrophobicContact CE2-CD2 3.77Å; Y471-Y494 AromaticContact CE2-CE2 3.2Å; Y471-Y494 HydrophobicContact CE2-CE2 3.2Å; Y471-Y494 AromaticContact CE2-CZ 3.99Å; Y471-Y494 AromaticContact CZ-CD2 3.69Å; Y471-Y494 AromaticContact CZ-CE2 3.54Å; Y471-Y494 WeakPolarHBondContact OH-CE2 3.48Å; L472-Y494 PolarHBondContact O-N 3.13Å; R473-Y494 VanDerWaalsContact NH1-CD1 3.33Å; L474-Y494 CarbonylContact C-O 3.44Å; L474-Y494 WeakPolarHBondContact CA-O 3.48Å; L474-Y494 PolarHBondContact N-O 3.35Å; G475-Y494 PolarHBondContact N-O 2.8Å; E492-Y494 HydrophobicContact CB-CD2 4.38Å; E492-Y494 HydrophobicContact CB-CE2 3.7Å; E492-Y494 VanDerWaalsContact OE2-CE2 3.22Å; E492-Y494 WeakPolarHBondContact OE2-CE2 3.25Å; E492-Y494 PolarHBondContact OE2-OH 2.78Å; Y494-E496 WeakPolarHBondContact CB-OE2 3.24Å; Y494-V518 HydrophobicContact CD1-CB 3.9Å; Y494-V518 HydrophobicContact CD1-CG1 4.43Å; Y494-V518 HydrophobicContact CD1-CG2 3.68Å; Y494-V518 HydrophobicContact CE1-CB 4.36Å; Y494-V518 HydrophobicContact CE1-CG2 3.63Å
495	L	98.5	Very high	94.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.			trans	-127.7	23.6	-176.6	-75.4	166.6	0	0	0	112	L474 F479 I482 L493 N498 I500 V518 L519 N522	L474-L495 HydrophobicContact CB-CD2 3.68Å; L474-L495 HydrophobicContact CD1-CD2 4.3Å; F479-L495 HydrophobicContact CD2-CD2 4.47Å; I482-L495 HydrophobicContact CB-CD1 4.44Å; I482-L495 HydrophobicContact CG1-CD1 3.96Å; I482-L495 HydrophobicContact CG2-CD1 4.23Å; L493-L495 HydrophobicContact CD1-CD1 4.13Å; L493-L495 HydrophobicContact CD1-CG 4.17Å; L493-L495 HydrophobicContact CD2-CD1 3.82Å; L493-L495 HydrophobicContact CG-CD1 3.9Å; L493-L495 HydrophobicContact CG-CG 4.19Å; L495-N498 PolarHBondContact O-ND2 2.9Å; L495-I500 HydrophobicContact CB-CD1 3.9Å; L495-I500 HydrophobicContact CD1-CD1 4.01Å; L495-I500 HydrophobicContact CD2-CD1 4.31Å; L495-I500 HydrophobicContact CG-CD1 4.31Å; L495-V518 CarbonylContact C-O 3.57Å; L495-V518 WeakPolarHBondContact CA-O 3.42Å; L495-V518 PolarHBondContact N-O 2.66Å; L495-L519 HydrophobicContact CB-CD2 3.97Å; L495-L519 HydrophobicContact CD1-CD2 4.09Å; L495-N522 PolarHBondContact O-ND2 2.99Å
496	E	98.5	Very high	93.9	Very high	22 Å²	22	39 Å²	39	10%	0.103	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	149.1	-177.1	65.6	-90.7	-138.5	0	0	114	R473 G475 R476 Y494 N498 V518 K520	R473-E496 IonicContact CZ-OE1 3.15Å; R473-E496 VanDerWaalsContact CZ-OE1 3.3Å; R473-E496 IonicContact NH1-OE1 2.83Å; R473-E496 PolarHBondContact NH1-OE1 2.82Å; R473-E496 VanDerWaalsContact NH1-OE1 3.07Å; R473-E496 IonicContact NH2-OE1 3.1Å; R473-E496 PolarHBondContact NH2-OE1 2.79Å; G475-E496 CarbonylContact C-O 3.42Å; G475-E496 WeakPolarHBondContact CA-O 3.3Å; R476-E496 PolarHBondContact N-O 3.23Å; Y494-E496 WeakPolarHBondContact CB-OE2 3.24Å; E496-N498 VanDerWaalsContact C-N 3.25Å; E496-N498 PolarHBondContact O-N 2.85Å; E496-V518 HydrophobicContact CB-CG1 4.08Å; E496-V518 PolarHBondContact N-O 2.91Å; E496-K520 CarbonylContact C-O 3.47Å; E496-K520 WeakPolarHBondContact CA-O 3.49Å; E496-K520 HydrophobicContact CB-CB 4.29Å; E496-K520 WeakPolarHBondContact CB-O 3.38Å
497	N	98.4	Very high	93.4	Very high	68 Å²	68	39.2 Å²	39.2	36%	0.364	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.6	32.6	178.9	-44	-81.4	0	0	0	113.9	R476 K520 H521	R476-N497 WeakPolarHBondContact CA-O 3.41Å; R476-N497 HydrophobicContact CG-CB 4.02Å; N497-K520 PolarHBondContact N-O 3.14Å; N497-H521 VanDerWaalsContact CA-O 3.24Å; N497-H521 WeakPolarHBondContact CA-O 3.12Å; N497-H521 HydrophobicContact CB-CB 4.45Å; N497-H521 PolarHBondContact N-O 2.93Å; N497-H521 WeakPolarHBondContact OD1-CB 3.32Å; N497-H521 PolarHBondContact OD1-CD2 3.42Å
498	N	98.6	Very high	93.1	Very high	10 Å²	10	39.3 Å²	39.3	5%	0.053	20%	0.199	C	C	.	.	S	Bend	trans	-93	-158.3	168.8	-86.1	-78.7	0	0	0	109.9	L474 N477 K478 F479 L495 E496 I500 N522	L474-N498 PolarHBondContact O-ND2 3.35Å; N477-N498 VanDerWaalsContact CA-OD1 3.28Å; N477-N498 WeakPolarHBondContact CA-OD1 3.27Å; N477-N498 WeakPolarHBondContact CB-OD1 3.49Å; N477-N498 PolarHBondContact N-OD1 2.88Å; N477-N498 PolarHBondContact O-OD1 3.13Å; K478-N498 PolarHBondContact N-OD1 3.27Å; F479-N498 HydrophobicContact CB-CB 4.41Å; F479-N498 WeakPolarHBondContact CD2-OD1 3.09Å; F479-N498 PolarHBondContact N-OD1 3.26Å; L495-N498 PolarHBondContact O-ND2 2.9Å; E496-N498 VanDerWaalsContact C-N 3.25Å; E496-N498 PolarHBondContact O-N 2.85Å; N498-I500 HydrophobicContact CB-CD1 4.25Å; N498-I500 HydrophobicContact CB-CG1 4.05Å; N498-N522 VanDerWaalsContact CA-OD1 3.28Å; N498-N522 WeakPolarHBondContact CA-OD1 3.39Å; N498-N522 WeakPolarHBondContact CB-OD1 3.31Å; N498-N522 PolarHBondContact N-OD1 3.43Å; N498-N522 PolarHBondContact O-OD1 2.74Å
499	Q	97.7	Very high	92.5	Very high	67 Å²	67	39 Å²	39	31%	0.313	19%	0.194	S	C	.	.			trans	-120.6	24.1	179.5	-64.9	-167.5	56.3	0	0	112.2	F479 R480 E501 N522 K523	F479-Q499 CarbonylContact O-C 3.27Å; F479-Q499 VanDerWaalsContact O-CA 3.24Å; F479-Q499 WeakPolarHBondContact O-CA 3.16Å; F479-Q499 WeakPolarHBondContact O-CB 3.43Å; F479-Q499 PolarHBondContact O-N 2.94Å; R480-Q499 HydrophobicContact CG-CB 4.28Å; Q499-E501 PolarHBondContact O-N 2.92Å; Q499-N522 PolarHBondContact N-OD1 3.46Å; Q499-K523 HydrophobicContact CB-CD 4.46Å
500	I	97.6	Very high	91.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.219	C	C	.	.			trans	-65.7	124	-168	-59.4	170.9	0	0	0	110.5	F479 R480 I482 L495 N498 E502 L519 N522 K523 L524	F479-I500 HydrophobicContact CB-CG1 4.36Å; F479-I500 WeakPolarHBondContact O-CG1 3.43Å; F479-I500 PolarHBondContact O-N 3.25Å; F479-I500 VanDerWaalsContact O-N 3.16Å; R480-I500 VanDerWaalsContact O-CA 3.31Å; R480-I500 WeakPolarHBondContact O-CA 3.32Å; I482-I500 HydrophobicContact CG1-CD1 4.36Å; L495-I500 HydrophobicContact CB-CD1 3.9Å; L495-I500 HydrophobicContact CD1-CD1 4.01Å; L495-I500 HydrophobicContact CD2-CD1 4.31Å; L495-I500 HydrophobicContact CG-CD1 4.31Å; N498-I500 HydrophobicContact CB-CD1 4.25Å; N498-I500 HydrophobicContact CB-CG1 4.05Å; I500-E502 WeakPolarHBondContact CG2-O 3.29Å; I500-L519 HydrophobicContact CD1-CD2 3.63Å; I500-N522 HydrophobicContact CB-CB 4.09Å; I500-N522 WeakPolarHBondContact CB-OD1 3.13Å; I500-N522 WeakPolarHBondContact CG1-OD1 3.26Å; I500-N522 PolarHBondContact N-OD1 3.49Å; I500-K523 CarbonylContact O-C 3.22Å; I500-K523 WeakPolarHBondContact O-CA 3.39Å; I500-K523 WeakPolarHBondContact O-CB 3.24Å; I500-K523 PolarHBondContact O-N 3.12Å; I500-L524 HydrophobicContact CG2-CD2 3.92Å; I500-L524 HydrophobicContact CG2-CG 4.5Å; I500-L524 PolarHBondContact O-N 3.5Å
501	E	93.8	Very high	91.6	Very high	50 Å²	50	44.9 Å²	44.9	23%	0.234	22%	0.22	C	C	.	.			trans	-107.8	-19.7	-177.2	-72.8	176.8	-158.8	0	0	113.4	R480 Q499 K523 R528	R480-E501 PolarHBondContact O-N 2.95Å; Q499-E501 PolarHBondContact O-N 2.92Å; E501-K523 HydrophobicContact CG-CB 3.64Å; E501-K523 HydrophobicContact CG-CD 3.8Å; E501-K523 HydrophobicContact CG-CG 4.39Å; E501-K523 WeakPolarHBondContact OE1-CD 3.32Å; E501-K523 IonicContact OE1-NZ 3.21Å; E501-K523 PolarHBondContact OE1-NZ 3.38Å; E501-R528 VanDerWaalsContact O-CB 3.23Å; E501-R528 WeakPolarHBondContact O-CB 3.03Å; E501-R528 WeakPolarHBondContact O-CD 3.46Å; E501-R528 IonicContact OE2-CZ 3.1Å; E501-R528 IonicContact OE2-NH1 2.62Å; E501-R528 PolarHBondContact OE2-NH1 2.91Å; E501-R528 IonicContact OE2-NH2 2.73Å
502	E	89.6	Confident	91.1	Very high	78 Å²	78	47.9 Å²	47.9	36%	0.364	23%	0.227	S	C	.	.			trans	-140.5	159.6	-178.8	61.3	173.3	-124.7	0	0	113.7	I481 I500 R528	I481-E502 HydrophobicContact CG2-CG 3.7Å; I500-E502 WeakPolarHBondContact CG2-O 3.29Å; E502-R528 WeakPolarHBondContact CA-O 3.4Å; E502-R528 HydrophobicContact CB-CB 3.99Å; E502-R528 WeakPolarHBondContact CB-O 3.4Å
503	V	90.5	Very high	90.9	Very high	1 Å²	1	49 Å²	49	1%	0.006	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-126.7	106.6	167.4	-177.2	0	0	0	0	107.7	I482 F508 L519 L524 R528 I529 A530 A533 W534	I482-V503 HydrophobicContact CD1-CB 4.23Å; I482-V503 HydrophobicContact CD1-CG1 3.81Å; I482-V503 HydrophobicContact CD1-CG2 3.87Å; V503-F508 HydrophobicContact CG1-CE2 4.07Å; V503-L519 HydrophobicContact CG2-CD1 4.37Å; V503-L524 HydrophobicContact CG2-CD1 4.34Å; V503-L524 HydrophobicContact CG2-CD2 3.79Å; V503-R528 PolarHBondContact N-O 3.25Å; V503-I529 HydrophobicContact CG2-CG1 4.38Å; V503-A530 VanDerWaalsContact O-CB 3.29Å; V503-A530 WeakPolarHBondContact O-CB 3.49Å; V503-A530 PolarHBondContact O-N 3.33Å; V503-A533 HydrophobicContact CG1-CB 3.75Å; V503-W534 HydrophobicContact CB-CZ2 4.22Å; V503-W534 HydrophobicContact CG1-CH2 3.88Å; V503-W534 HydrophobicContact CG1-CZ2 3.84Å; V503-W534 HydrophobicContact CG1-CZ3 4.47Å; V503-W534 HydrophobicContact CG2-CH2 4.1Å; V503-W534 HydrophobicContact CG2-CZ2 3.97Å
504	S	84.1	Confident	90.7	Very high	34 Å²	34	49 Å²	49	24%	0.238	24%	0.235	C	C	.	.			trans	-86.9	155.1	-176.3	62.7	0	0	0	0	112.6	I506 C507	S504-I506 PolarHBondContact O-N 3.34Å; S504-C507 PolarHBondContact O-N 3.01Å; S504-C507 PolarHBondContact O-SG 2.83Å
505	E	79.1	Confident	90.6	Very high	92 Å²	92	49.3 Å²	49.3	43%	0.43	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-22.2	-178.3	-54	-168.2	145.8	0	0	113.6	N509 A530 L532	E505-N509 PolarHBondContact O-ND2 2.83Å; E505-A530 HydrophobicContact CG-CB 3.48Å; E505-A530 VanDerWaalsContact CG-CB 3.48Å; E505-L532 HydrophobicContact CG-CB 4.21Å
506	I	79.6	Confident	90.6	Very high	99 Å²	99	50.3 Å²	50.3	51%	0.508	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-22.2	-174.6	61	170.7	0	0	0	114.4	S504 F508 N509	S504-I506 PolarHBondContact O-N 3.34Å; I506-F508 VanDerWaalsContact C-N 3.28Å; I506-F508 PolarHBondContact O-N 2.98Å; I506-N509 PolarHBondContact O-N 2.81Å
507	C	83.7	Confident	90.5	Very high	13 Å²	13	49.3 Å²	49.3	9%	0.088	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-29.2	-167	64.9	0	0	0	0	114.1	I482 S504	I482-C507 HydrophobicContact CB-CB 4.13Å; I482-C507 HydrophobicContact CG2-CB 4.04Å; S504-C507 PolarHBondContact O-N 3.01Å; S504-C507 PolarHBondContact O-SG 2.83Å
508	F	87.1	Confident	90.5	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.009	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	12.2	179.9	-56.3	-56.1	0	0	0	114.8	I482 L486 L493 V503 I506 H510 T511 I514 I517 W534 Q537	I482-F508 HydrophobicContact CD1-CE2 3.91Å; I482-F508 HydrophobicContact CD1-CZ 3.64Å; I482-F508 HydrophobicContact CG1-CZ 4.4Å; I482-F508 HydrophobicContact CG2-CE1 4.01Å; I482-F508 HydrophobicContact CG2-CZ 4.14Å; L486-F508 HydrophobicContact CD1-CE1 4.45Å; L493-F508 HydrophobicContact CD2-CE1 3.81Å; L493-F508 HydrophobicContact CD2-CZ 4.38Å; V503-F508 HydrophobicContact CG1-CE2 4.07Å; I506-F508 VanDerWaalsContact C-N 3.28Å; I506-F508 PolarHBondContact O-N 2.98Å; F508-H510 PolarHBondContact O-N 3.33Å; F508-H510 VanDerWaalsContact O-N 3.07Å; F508-T511 VanDerWaalsContact CA-OG1 3.28Å; F508-T511 WeakPolarHBondContact CA-OG1 3.47Å; F508-T511 WeakPolarHBondContact CB-OG1 3.21Å; F508-T511 PolarHBondContact O-N 2.94Å; F508-T511 PolarHBondContact O-OG1 2.95Å; F508-I514 HydrophobicContact CD1-CD1 3.65Å; F508-I514 HydrophobicContact CE1-CD1 3.92Å; F508-I517 HydrophobicContact CE1-CD1 4.02Å; F508-I517 HydrophobicContact CE2-CD1 3.93Å; F508-I517 HydrophobicContact CZ-CD1 3.64Å; F508-W534 HydrophobicContact CD2-CE3 4.43Å; F508-W534 HydrophobicContact CD2-CZ3 4.24Å; F508-W534 HydrophobicContact CE2-CE3 4.16Å; F508-W534 HydrophobicContact CE2-CH2 4.15Å; F508-W534 AromaticContact CE2-CZ3 3.54Å; F508-W534 HydrophobicContact CE2-CZ3 3.54Å; F508-W534 HydrophobicContact CZ-CZ3 4.34Å; F508-Q537 HydrophobicContact CB-CG 4.39Å; F508-Q537 PolarHBondContact O-NE2 3.31Å
509	N	80.4	Confident	90.5	Very high	67 Å²	67	46.4 Å²	46.4	36%	0.358	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.8	-173.5	-97.7	-25.4	0	0	0	114.7	E505 I506	E505-N509 PolarHBondContact O-ND2 2.83Å; I506-N509 PolarHBondContact O-N 2.81Å
510	H	83.9	Confident	90.5	Very high	142 Å²	142	46.3 Å²	46.3	66%	0.657	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110	-11.6	-177.8	-56.8	111.2	0	0	0	113.7	T488 F508 R512	T488-H510 HydrophobicContact CG2-CB 4.33Å; T488-H510 WeakPolarHBondContact CG2-O 3.1Å; F508-H510 PolarHBondContact O-N 3.33Å; F508-H510 VanDerWaalsContact O-N 3.07Å; H510-R512 PolarHBondContact O-N 3.49Å
511	T	90	Very high	90.6	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.012	24%	0.24	C	C	.	.			trans	-102.2	51.6	-167.5	58.4	0	0	0	0	112.3	L486 I490 F508 N513 I514 Q537	L486-T511 HydrophobicContact CB-CG2 3.65Å; I490-T511 HydrophobicContact CG2-CG2 3.8Å; F508-T511 VanDerWaalsContact CA-OG1 3.28Å; F508-T511 WeakPolarHBondContact CA-OG1 3.47Å; F508-T511 WeakPolarHBondContact CB-OG1 3.21Å; F508-T511 PolarHBondContact O-N 2.94Å; F508-T511 PolarHBondContact O-OG1 2.95Å; T511-N513 PolarHBondContact O-N 3.13Å; T511-I514 HydrophobicContact CG2-CD1 4.4Å; T511-I514 WeakPolarHBondContact O-CG1 3.08Å; T511-I514 PolarHBondContact O-N 3.26Å; T511-I514 VanDerWaalsContact OG1-CD1 3.3Å; T511-I514 WeakPolarHBondContact OG1-CD1 3.31Å; T511-Q537 PolarHBondContact O-OE1 2.68Å
512	R	87.6	Confident	90.8	Very high	161 Å²	161	48 Å²	48	61%	0.608	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-9.4	-169.4	-59.9	-177.3	-170.7	170.9	1.7	115	H510 N539	H510-R512 PolarHBondContact O-N 3.49Å; R512-N539 PolarHBondContact O-ND2 2.87Å
513	N	92.7	Very high	91.1	Very high	78 Å²	78	47 Å²	47	42%	0.417	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-5.5	-180	-68.5	14.4	0	0	0	113.3	I490 T511 N515	I490-N513 CarbonylContact O-C 3.45Å; I490-N513 VanDerWaalsContact O-C 3.27Å; T511-N513 PolarHBondContact O-N 3.13Å; N513-N515 PolarHBondContact O-N 3.41Å
514	I	94.5	Very high	91.3	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.226	C	C	.	.			trans	-62.2	123.6	-178.1	-62.6	172.8	0	0	0	110.4	I490 F508 T511 I517 N539 L540	I490-I514 HydrophobicContact CG2-CD1 3.94Å; I490-I514 HydrophobicContact CG2-CG1 3.68Å; I490-I514 WeakPolarHBondContact O-CA 3.16Å; I490-I514 VanDerWaalsContact O-CG1 3.3Å; I490-I514 WeakPolarHBondContact O-CG1 3.24Å; I490-I514 PolarHBondContact O-N 2.61Å; I490-I514 VanDerWaalsContact O-N 3.13Å; F508-I514 HydrophobicContact CD1-CD1 3.65Å; F508-I514 HydrophobicContact CE1-CD1 3.92Å; T511-I514 HydrophobicContact CG2-CD1 4.4Å; T511-I514 WeakPolarHBondContact O-CG1 3.08Å; T511-I514 PolarHBondContact O-N 3.26Å; T511-I514 VanDerWaalsContact OG1-CD1 3.3Å; T511-I514 WeakPolarHBondContact OG1-CD1 3.31Å; I514-I517 HydrophobicContact CG2-CD1 3.89Å; I514-I517 HydrophobicContact CG2-CG1 3.46Å; I514-I517 VanDerWaalsContact CG2-CG1 3.46Å; I514-N539 CarbonylContact O-C 3.55Å; I514-N539 VanDerWaalsContact O-C 3.31Å; I514-L540 HydrophobicContact CG2-CD1 4.23Å; I514-L540 VanDerWaalsContact O-CA 3.23Å; I514-L540 WeakPolarHBondContact O-CA 3.45Å; I514-L540 PolarHBondContact O-N 2.99Å
515	N	96.3	Very high	91.3	Very high	49 Å²	49	47.6 Å²	47.6	26%	0.262	23%	0.226	S	C	.	.			trans	-99.4	-39.6	172.3	-178.9	-53.7	0	0	0	111.5	E491 N513 N539 L540 E541 S542	E491-N515 PolarHBondContact O-N 2.92Å; N513-N515 PolarHBondContact O-N 3.41Å; N515-N539 WeakPolarHBondContact CA-O 3.48Å; N515-L540 VanDerWaalsContact O-CD1 3.23Å; N515-L540 WeakPolarHBondContact O-CD1 3.3Å; N515-E541 VanDerWaalsContact ND2-CD 3.31Å; N515-E541 PolarHBondContact ND2-OE2 2.98Å; N515-E541 PolarHBondContact O-N 3.18Å; N515-E541 VanDerWaalsContact O-N 3.11Å; N515-S542 PolarHBondContact O-N 2.9Å
516	V	98.2	Very high	91.1	Very high	21 Å²	21	46.5 Å²	46.5	13%	0.127	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	127.2	-172.8	-172.4	0	0	0	0	111.8	E491 E492 L493 V518 S542	E491-V516 PolarHBondContact O-N 3.06Å; E492-V516 HydrophobicContact CB-CB 4.15Å; E492-V516 HydrophobicContact CG-CB 3.99Å; E492-V516 HydrophobicContact CG-CG2 3.96Å; L493-V516 PolarHBondContact N-O 3.1Å; V516-V518 HydrophobicContact CG1-CG2 4.19Å; V516-S542 WeakPolarHBondContact CA-O 3.27Å
517	I	97.4	Very high	90.9	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	123	171.7	-61.6	178.1	0	0	0	110.1	F508 I514 L519 W534 L540 S542 I543 D544	F508-I517 HydrophobicContact CE1-CD1 4.02Å; F508-I517 HydrophobicContact CE2-CD1 3.93Å; F508-I517 HydrophobicContact CZ-CD1 3.64Å; I514-I517 HydrophobicContact CG2-CD1 3.89Å; I514-I517 HydrophobicContact CG2-CG1 3.46Å; I514-I517 VanDerWaalsContact CG2-CG1 3.46Å; I517-L519 HydrophobicContact CG2-CD1 3.65Å; I517-L519 HydrophobicContact CG2-CG 3.78Å; I517-W534 HydrophobicContact CD1-CE3 4.45Å; I517-W534 HydrophobicContact CD1-CZ3 3.83Å; I517-L540 HydrophobicContact CB-CD1 4.43Å; I517-L540 HydrophobicContact CD1-CD1 3.99Å; I517-L540 HydrophobicContact CD1-CD2 3.64Å; I517-L540 HydrophobicContact CG1-CD1 3.89Å; I517-L540 HydrophobicContact CG1-CD2 4.44Å; I517-S542 PolarHBondContact N-O 2.9Å; I517-I543 WeakPolarHBondContact O-CA 3.34Å; I517-D544 PolarHBondContact O-N 2.89Å
518	V	98.6	Very high	90.7	Very high	18 Å²	18	51.9 Å²	51.9	11%	0.109	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	106.5	175.1	-175.7	0	0	0	0	110.1	L493 Y494 L495 E496 V516 K520 D544	L493-V518 PolarHBondContact O-N 2.62Å; Y494-V518 HydrophobicContact CD1-CB 3.9Å; Y494-V518 HydrophobicContact CD1-CG1 4.43Å; Y494-V518 HydrophobicContact CD1-CG2 3.68Å; Y494-V518 HydrophobicContact CE1-CB 4.36Å; Y494-V518 HydrophobicContact CE1-CG2 3.63Å; L495-V518 CarbonylContact C-O 3.57Å; L495-V518 WeakPolarHBondContact CA-O 3.42Å; L495-V518 PolarHBondContact N-O 2.66Å; E496-V518 HydrophobicContact CB-CG1 4.08Å; E496-V518 PolarHBondContact N-O 2.91Å; V516-V518 HydrophobicContact CG1-CG2 4.19Å; V518-K520 HydrophobicContact CG1-CB 4.11Å; V518-D544 HydrophobicContact CG1-CB 4.26Å; V518-D544 HydrophobicContact CG2-CB 4.48Å
519	L	98	Very high	90.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.245	C	C	.	.			trans	-114.1	21.4	178.2	-73.3	163.4	0	0	0	111.9	I482 L495 I500 V503 I517 N522 L524 W534 D544 L545 N548	I482-L519 HydrophobicContact CD1-CD1 4.45Å; I482-L519 HydrophobicContact CD1-CD2 4.49Å; I482-L519 HydrophobicContact CG1-CD2 4.23Å; L495-L519 HydrophobicContact CB-CD2 3.97Å; L495-L519 HydrophobicContact CD1-CD2 4.09Å; I500-L519 HydrophobicContact CD1-CD2 3.63Å; V503-L519 HydrophobicContact CG2-CD1 4.37Å; I517-L519 HydrophobicContact CG2-CD1 3.65Å; I517-L519 HydrophobicContact CG2-CG 3.78Å; L519-N522 VanDerWaalsContact C-ND2 3.32Å; L519-N522 WeakPolarHBondContact O-CB 3.44Å; L519-N522 PolarHBondContact O-ND2 2.93Å; L519-L524 HydrophobicContact CB-CD1 4.03Å; L519-L524 HydrophobicContact CD1-CD1 4.17Å; L519-W534 HydrophobicContact CD1-CH2 3.84Å; L519-D544 CarbonylContact C-O 3.58Å; L519-D544 WeakPolarHBondContact CA-O 3.46Å; L519-D544 PolarHBondContact N-O 3.14Å; L519-L545 HydrophobicContact CB-CD2 4.06Å; L519-L545 HydrophobicContact CD1-CD2 4.23Å; L519-N548 PolarHBondContact O-ND2 2.96Å
520	K	98.3	Very high	90.5	Very high	65 Å²	65	50.3 Å²	50.3	28%	0.283	24%	0.237	S	C	.	.			trans	-60.9	145.9	-179.7	170	174.3	173.2	-166.4	0	113.6	E496 N497 V518 N522 D544 S546 Y547	E496-K520 CarbonylContact C-O 3.47Å; E496-K520 WeakPolarHBondContact CA-O 3.49Å; E496-K520 HydrophobicContact CB-CB 4.29Å; E496-K520 WeakPolarHBondContact CB-O 3.38Å; N497-K520 PolarHBondContact N-O 3.14Å; V518-K520 HydrophobicContact CG1-CB 4.11Å; K520-N522 PolarHBondContact O-N 2.9Å; K520-N522 PolarHBondContact O-ND2 3.25Å; K520-D544 WeakPolarHBondContact CD-OD2 3.3Å; K520-D544 PolarHBondContact N-O 2.82Å; K520-S546 CarbonylContact C-O 3.39Å; K520-S546 WeakPolarHBondContact CA-O 3.46Å; K520-Y547 HydrophobicContact CG-CD2 4.32Å
521	H	98.4	Very high	89.6	Confident	72 Å²	72	46.1 Å²	46.1	33%	0.333	22%	0.223	S	C	.	.	S	Bend	trans	53.8	50.1	-177.7	-64.7	-59.7	0	0	0	112.4	N497 S546 Y547	N497-H521 VanDerWaalsContact CA-O 3.24Å; N497-H521 WeakPolarHBondContact CA-O 3.12Å; N497-H521 HydrophobicContact CB-CB 4.45Å; N497-H521 PolarHBondContact N-O 2.93Å; N497-H521 WeakPolarHBondContact OD1-CB 3.32Å; N497-H521 PolarHBondContact OD1-CD2 3.42Å; H521-S546 PolarHBondContact N-O 3.42Å; H521-Y547 WeakPolarHBondContact CA-O 3.37Å; H521-Y547 AromaticContact CE1-CD1 3.82Å; H521-Y547 AromaticContact CE1-CD2 3.38Å; H521-Y547 WeakPolarHBondContact CE1-CD2 3.35Å; H521-Y547 AromaticContact CE1-CG 3.28Å; H521-Y547 WeakPolarHBondContact ND1-CB 3.39Å; H521-Y547 AromaticContact ND1-CD2 3.89Å; H521-Y547 AromaticContact ND1-CG 3.52Å; H521-Y547 AromaticContact NE2-CD2 3.81Å
522	N	98.4	Very high	88.8	Confident	12 Å²	12	47.8 Å²	47.8	6%	0.064	23%	0.231	C	C	.	.	S	Bend	trans	-113.4	-160.6	169.2	-81.8	-76.9	0	0	0	109.3	L495 N498 Q499 I500 L519 K520 N548	L495-N522 PolarHBondContact O-ND2 2.99Å; N498-N522 VanDerWaalsContact CA-OD1 3.28Å; N498-N522 WeakPolarHBondContact CA-OD1 3.39Å; N498-N522 WeakPolarHBondContact CB-OD1 3.31Å; N498-N522 PolarHBondContact N-OD1 3.43Å; N498-N522 PolarHBondContact O-OD1 2.74Å; Q499-N522 PolarHBondContact N-OD1 3.46Å; I500-N522 HydrophobicContact CB-CB 4.09Å; I500-N522 WeakPolarHBondContact CB-OD1 3.13Å; I500-N522 WeakPolarHBondContact CG1-OD1 3.26Å; I500-N522 PolarHBondContact N-OD1 3.49Å; L519-N522 VanDerWaalsContact C-ND2 3.32Å; L519-N522 WeakPolarHBondContact O-CB 3.44Å; L519-N522 PolarHBondContact O-ND2 2.93Å; K520-N522 PolarHBondContact O-N 2.9Å; K520-N522 PolarHBondContact O-ND2 3.25Å; N522-N548 VanDerWaalsContact CA-OD1 3.28Å; N522-N548 WeakPolarHBondContact CA-OD1 3.46Å; N522-N548 WeakPolarHBondContact CB-OD1 3.39Å; N522-N548 PolarHBondContact N-OD1 3.13Å; N522-N548 PolarHBondContact O-OD1 3.25Å
523	K	96.7	Very high	88.2	Confident	57 Å²	57	40.3 Å²	40.3	25%	0.248	20%	0.204	C	C	.	.			trans	-118.1	16.7	-176.1	-59.3	179.5	-166.5	163.3	0	112.8	Q499 I500 E501 E525 N548 K549	Q499-K523 HydrophobicContact CB-CD 4.46Å; I500-K523 CarbonylContact O-C 3.22Å; I500-K523 WeakPolarHBondContact O-CA 3.39Å; I500-K523 WeakPolarHBondContact O-CB 3.24Å; I500-K523 PolarHBondContact O-N 3.12Å; E501-K523 HydrophobicContact CG-CB 3.64Å; E501-K523 HydrophobicContact CG-CD 3.8Å; E501-K523 HydrophobicContact CG-CG 4.39Å; E501-K523 WeakPolarHBondContact OE1-CD 3.32Å; E501-K523 IonicContact OE1-NZ 3.21Å; E501-K523 PolarHBondContact OE1-NZ 3.38Å; K523-E525 PolarHBondContact O-N 2.95Å; K523-N548 PolarHBondContact N-OD1 3.02Å; K523-K549 WeakPolarHBondContact O-CD 3.48Å; K523-K549 PolarHBondContact O-NZ 2.94Å
524	L	93.6	Very high	87.4	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.			trans	-59.2	133.1	-171.4	-68.6	168.7	0	0	0	112	I500 V503 L519 L545 N548 K549	I500-L524 HydrophobicContact CG2-CD2 3.92Å; I500-L524 HydrophobicContact CG2-CG 4.5Å; I500-L524 PolarHBondContact O-N 3.5Å; V503-L524 HydrophobicContact CG2-CD1 4.34Å; V503-L524 HydrophobicContact CG2-CD2 3.79Å; L519-L524 HydrophobicContact CB-CD1 4.03Å; L519-L524 HydrophobicContact CD1-CD1 4.17Å; L524-L545 HydrophobicContact CD1-CD2 3.46Å; L524-L545 VanDerWaalsContact CD1-CD2 3.46Å; L524-N548 HydrophobicContact CB-CB 4.04Å; L524-N548 WeakPolarHBondContact CB-OD1 3.45Å; L524-N548 PolarHBondContact N-OD1 2.76Å; L524-K549 WeakPolarHBondContact O-CA 3.45Å; L524-K549 WeakPolarHBondContact O-CB 3.48Å; L524-K549 PolarHBondContact O-N 2.78Å
525	E	84.6	Confident	86.2	Confident	48 Å²	48	38 Å²	38	22%	0.224	19%	0.192	C	C	.	.			trans	-114.4	144.8	172.2	-67.6	169.2	-164.8	0	0	107.9	K523 N527 R528 I529 K549	K523-E525 PolarHBondContact O-N 2.95Å; E525-N527 VanDerWaalsContact C-N 3.35Å; E525-N527 VanDerWaalsContact CB-OD1 3.31Å; E525-N527 WeakPolarHBondContact CB-OD1 3.45Å; E525-N527 PolarHBondContact O-N 2.94Å; E525-R528 WeakPolarHBondContact O-CA 3.3Å; E525-R528 WeakPolarHBondContact O-CB 3.49Å; E525-R528 PolarHBondContact O-N 3.36Å; E525-I529 PolarHBondContact O-N 3.18Å; E525-K549 HydrophobicContact CG-CB 3.89Å; E525-K549 HydrophobicContact CG-CD 3.63Å; E525-K549 HydrophobicContact CG-CG 4.46Å; E525-K549 WeakPolarHBondContact OE1-CD 3.48Å; E525-K549 WeakPolarHBondContact OE1-CE 3.33Å; E525-K549 IonicContact OE1-NZ 3.07Å; E525-K549 PolarHBondContact OE1-NZ 3.12Å
526	E	74.8	Confident	85.1	Confident	70 Å²	70	39.7 Å²	39.7	33%	0.327	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-64	-39.2	-168.9	170.4	-90	-175.8	0	0	112.3	R528 I529 L550	E526-R528 PolarHBondContact O-N 3.47Å; E526-R528 VanDerWaalsContact O-N 3.12Å; E526-I529 WeakPolarHBondContact O-CB 3.5Å; E526-I529 PolarHBondContact O-N 2.96Å; E526-L550 HydrophobicContact CB-CD2 3.99Å
527	N	74.8	Confident	84.5	Confident	125 Å²	125	38.9 Å²	38.9	67%	0.668	20%	0.195	S	C	*	.	G	3₁₀ helix	trans	-64.6	-8.9	171.6	66.5	-15.3	0	0	0	115.3	E525	E525-N527 VanDerWaalsContact C-N 3.35Å; E525-N527 VanDerWaalsContact CB-OD1 3.31Å; E525-N527 WeakPolarHBondContact CB-OD1 3.45Å; E525-N527 PolarHBondContact O-N 2.94Å
528	R	80.9	Confident	84	Confident	100 Å²	100	46.2 Å²	46.2	38%	0.377	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-105.2	4.2	173.8	-66.2	-169.1	179.2	-161.8	12.8	113.2	E501 E502 V503 E525 E526	E501-R528 VanDerWaalsContact O-CB 3.23Å; E501-R528 WeakPolarHBondContact O-CB 3.03Å; E501-R528 WeakPolarHBondContact O-CD 3.46Å; E501-R528 IonicContact OE2-CZ 3.1Å; E501-R528 IonicContact OE2-NH1 2.62Å; E501-R528 PolarHBondContact OE2-NH1 2.91Å; E501-R528 IonicContact OE2-NH2 2.73Å; E502-R528 WeakPolarHBondContact CA-O 3.4Å; E502-R528 HydrophobicContact CB-CB 3.99Å; E502-R528 WeakPolarHBondContact CB-O 3.4Å; V503-R528 PolarHBondContact N-O 3.25Å; E525-R528 WeakPolarHBondContact O-CA 3.3Å; E525-R528 WeakPolarHBondContact O-CB 3.49Å; E525-R528 PolarHBondContact O-N 3.36Å; E526-R528 PolarHBondContact O-N 3.47Å; E526-R528 VanDerWaalsContact O-N 3.12Å
529	I	84.8	Confident	83.8	Confident	11 Å²	11	49.3 Å²	49.3	6%	0.056	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-91.6	104.4	167.3	-64	177.2	0	0	0	106.8	V503 E525 E526 W534 L550 P554	V503-I529 HydrophobicContact CG2-CG1 4.38Å; E525-I529 PolarHBondContact O-N 3.18Å; E526-I529 WeakPolarHBondContact O-CB 3.5Å; E526-I529 PolarHBondContact O-N 2.96Å; I529-W534 HydrophobicContact CG2-CZ2 4.17Å; I529-L550 HydrophobicContact CD1-CD2 3.89Å; I529-P554 HydrophobicContact CD1-CG 4.26Å
530	A	77	Confident	83.6	Confident	25 Å²	25	49.3 Å²	49.3	21%	0.207	25%	0.245	C	C	.	.			trans	-65	124.1	179	0	0	0	0	0	109.1	V503 E505 L532 A533	V503-A530 VanDerWaalsContact O-CB 3.29Å; V503-A530 WeakPolarHBondContact O-CB 3.49Å; V503-A530 PolarHBondContact O-N 3.33Å; E505-A530 HydrophobicContact CG-CB 3.48Å; E505-A530 VanDerWaalsContact CG-CB 3.48Å; A530-L532 PolarHBondContact O-N 3.14Å; A530-L532 VanDerWaalsContact O-N 3.08Å; A530-A533 VanDerWaalsContact O-CB 3.23Å; A530-A533 WeakPolarHBondContact O-CB 3.24Å; A530-A533 PolarHBondContact O-N 3.16Å
531	P	66.3	Low	83.5	Confident	54 Å²	54	50 Å²	50	35%	0.351	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-5.8	-154.2	0.6	14.3	0	0	0	114	Y112 Y556	Y112-P531 HydrophobicContact CE2-CB 3.87Å; Y112-P531 WeakPolarHBondContact CE2-O 3.32Å; Y112-P531 WeakPolarHBondContact OH-CA 3.31Å; Y112-P531 WeakPolarHBondContact OH-CB 3.08Å; Y112-P531 WeakPolarHBondContact OH-CD 3.23Å; Y112-P531 WeakPolarHBondContact OH-CG 3.44Å; P531-Y556 HydrophobicContact CB-CD2 3.58Å; P531-Y556 HydrophobicContact CB-CE2 4.16Å; P531-Y556 HydrophobicContact CB-CG 4.48Å; P531-Y556 VanDerWaalsContact O-CB 3.26Å; P531-Y556 WeakPolarHBondContact O-CB 3.38Å
532	L	72.7	Confident	83.5	Confident	36 Å²	36	47.3 Å²	47.3	19%	0.188	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-15.1	166.6	-75.3	-178.4	0	0	0	114.4	Y112 E505 A530 W534 I535	Y112-L532 HydrophobicContact CD1-CD2 3.49Å; Y112-L532 VanDerWaalsContact CD1-CD2 3.49Å; Y112-L532 HydrophobicContact CD1-CG 4.15Å; Y112-L532 HydrophobicContact CD2-CD2 4.14Å; Y112-L532 HydrophobicContact CE1-CD1 4.18Å; Y112-L532 HydrophobicContact CE1-CD2 3.29Å; Y112-L532 HydrophobicContact CE1-CG 3.43Å; Y112-L532 VanDerWaalsContact CE1-CG 3.43Å; Y112-L532 HydrophobicContact CE2-CD2 3.93Å; Y112-L532 HydrophobicContact CE2-CG 4.32Å; Y112-L532 HydrophobicContact CG-CD2 3.96Å; Y112-L532 PolarHBondContact OH-N 3.34Å; Y112-L532 VanDerWaalsContact OH-N 3.08Å; E505-L532 HydrophobicContact CG-CB 4.21Å; A530-L532 PolarHBondContact O-N 3.14Å; A530-L532 VanDerWaalsContact O-N 3.08Å; L532-W534 PolarHBondContact O-N 3.4Å; L532-I535 HydrophobicContact CD2-CG2 3.68Å; L532-I535 PolarHBondContact O-N 3.35Å
533	A	74.3	Confident	83.5	Confident	4 Å²	4	46.8 Å²	46.8	3%	0.033	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-32.3	-167.7	0	0	0	0	0	113.8	V503 A530	V503-A533 HydrophobicContact CG1-CB 3.75Å; A530-A533 VanDerWaalsContact O-CB 3.23Å; A530-A533 WeakPolarHBondContact O-CB 3.24Å; A530-A533 PolarHBondContact O-N 3.16Å
534	W	77.2	Confident	83.6	Confident	0 Å²	0	45 Å²	45	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-27.9	-178.4	-44.9	114.2	0	0	0	114.6	V503 F508 I517 L519 I529 L532 N536 Q537 L540 I543 P558	V503-W534 HydrophobicContact CB-CZ2 4.22Å; V503-W534 HydrophobicContact CG1-CH2 3.88Å; V503-W534 HydrophobicContact CG1-CZ2 3.84Å; V503-W534 HydrophobicContact CG1-CZ3 4.47Å; V503-W534 HydrophobicContact CG2-CH2 4.1Å; V503-W534 HydrophobicContact CG2-CZ2 3.97Å; F508-W534 HydrophobicContact CD2-CE3 4.43Å; F508-W534 HydrophobicContact CD2-CZ3 4.24Å; F508-W534 HydrophobicContact CE2-CE3 4.16Å; F508-W534 HydrophobicContact CE2-CH2 4.15Å; F508-W534 AromaticContact CE2-CZ3 3.54Å; F508-W534 HydrophobicContact CE2-CZ3 3.54Å; F508-W534 HydrophobicContact CZ-CZ3 4.34Å; I517-W534 HydrophobicContact CD1-CE3 4.45Å; I517-W534 HydrophobicContact CD1-CZ3 3.83Å; L519-W534 HydrophobicContact CD1-CH2 3.84Å; I529-W534 HydrophobicContact CG2-CZ2 4.17Å; L532-W534 PolarHBondContact O-N 3.4Å; W534-N536 PolarHBondContact O-N 2.93Å; W534-N536 VanDerWaalsContact O-N 3.11Å; W534-Q537 WeakPolarHBondContact O-CB 3.49Å; W534-Q537 PolarHBondContact O-N 3.09Å; W534-L540 HydrophobicContact CE3-CD2 4.07Å; W534-I543 HydrophobicContact CD2-CD1 4.39Å; W534-I543 HydrophobicContact CE3-CD1 4.1Å; W534-I543 HydrophobicContact CZ3-CD1 4.41Å; W534-P558 HydrophobicContact CB-CG 3.96Å
535	I	69.3	Low	83.8	Confident	31 Å²	31	45 Å²	45	16%	0.159	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-19.9	-160.9	-155.1	170.8	0	0	0	113.9	Y112 L532	Y112-I535 HydrophobicContact CD2-CD1 4.18Å; L532-I535 HydrophobicContact CD2-CG2 3.68Å; L532-I535 PolarHBondContact O-N 3.35Å
536	N	72.1	Confident	84.4	Confident	83 Å²	83	42.9 Å²	42.9	44%	0.444	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-2.9	177.8	-64.4	-32.8	0	0	0	113.5	W534 E538	W534-N536 PolarHBondContact O-N 2.93Å; W534-N536 VanDerWaalsContact O-N 3.11Å; N536-E538 PolarHBondContact O-N 2.82Å
537	Q	86.8	Confident	85.5	Confident	4 Å²	4	44.2 Å²	44.2	2%	0.019	22%	0.223	C	C	.	.			trans	-87.1	85.6	-180	-51.7	-47	-37.6	0	0	110	F508 T511 W534 N539 L540 S560	F508-Q537 HydrophobicContact CB-CG 4.39Å; F508-Q537 PolarHBondContact O-NE2 3.31Å; T511-Q537 PolarHBondContact O-OE1 2.68Å; W534-Q537 WeakPolarHBondContact O-CB 3.49Å; W534-Q537 PolarHBondContact O-N 3.09Å; Q537-N539 PolarHBondContact O-N 2.89Å; Q537-L540 HydrophobicContact CB-CB 3.66Å; Q537-L540 HydrophobicContact CB-CD2 3.85Å; Q537-L540 HydrophobicContact CB-CG 4.44Å; Q537-L540 HydrophobicContact CG-CD2 4.09Å; Q537-L540 PolarHBondContact O-N 2.68Å; Q537-S560 PolarHBondContact O-OG 2.95Å
538	E	87	Confident	86.6	Confident	156 Å²	156	38.8 Å²	38.8	73%	0.729	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-20.2	-173.9	-63.3	-176.3	157.9	0	0	113.4	N536 S560	N536-E538 PolarHBondContact O-N 2.82Å; E538-S560 VanDerWaalsContact O-CB 3.23Å; E538-S560 WeakPolarHBondContact O-CB 3.23Å; E538-S560 PolarHBondContact O-OG 3.02Å
539	N	93.1	Very high	87.3	Confident	83 Å²	83	37.2 Å²	37.2	44%	0.444	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	4.3	-177.4	-59.4	-64.3	0	0	0	114.9	R512 I514 N515 Q537 E541	R512-N539 PolarHBondContact O-ND2 2.87Å; I514-N539 CarbonylContact O-C 3.55Å; I514-N539 VanDerWaalsContact O-C 3.31Å; N515-N539 WeakPolarHBondContact CA-O 3.48Å; Q537-N539 PolarHBondContact O-N 2.89Å; N539-E541 PolarHBondContact O-N 2.92Å
540	L	94.9	Very high	87.7	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.187	C	C	.	.			trans	-80.9	87.2	-170.5	178.7	47.9	0	0	0	112.5	I514 N515 I517 W534 Q537 I543 P558 S560 L561	I514-L540 HydrophobicContact CG2-CD1 4.23Å; I514-L540 VanDerWaalsContact O-CA 3.23Å; I514-L540 WeakPolarHBondContact O-CA 3.45Å; I514-L540 PolarHBondContact O-N 2.99Å; N515-L540 VanDerWaalsContact O-CD1 3.23Å; N515-L540 WeakPolarHBondContact O-CD1 3.3Å; I517-L540 HydrophobicContact CB-CD1 4.43Å; I517-L540 HydrophobicContact CD1-CD1 3.99Å; I517-L540 HydrophobicContact CD1-CD2 3.64Å; I517-L540 HydrophobicContact CG1-CD1 3.89Å; I517-L540 HydrophobicContact CG1-CD2 4.44Å; W534-L540 HydrophobicContact CE3-CD2 4.07Å; Q537-L540 HydrophobicContact CB-CB 3.66Å; Q537-L540 HydrophobicContact CB-CD2 3.85Å; Q537-L540 HydrophobicContact CB-CG 4.44Å; Q537-L540 HydrophobicContact CG-CD2 4.09Å; Q537-L540 PolarHBondContact O-N 2.68Å; L540-I543 HydrophobicContact CD1-CG1 3.97Å; L540-I543 HydrophobicContact CD2-CD1 3.93Å; L540-I543 HydrophobicContact CD2-CG1 4.14Å; L540-I543 HydrophobicContact CG-CD1 4.16Å; L540-I543 HydrophobicContact CG-CG1 4.05Å; L540-P558 HydrophobicContact CB-CB 4.15Å; L540-P558 HydrophobicContact CB-CG 3.94Å; L540-P558 HydrophobicContact CD2-CG 3.6Å; L540-P558 HydrophobicContact CG-CB 4.41Å; L540-P558 HydrophobicContact CG-CG 3.7Å; L540-S560 PolarHBondContact N-OG 2.88Å; L540-L561 WeakPolarHBondContact O-CA 3.49Å
541	E	96.7	Very high	88.3	Confident	78 Å²	78	40.2 Å²	40.2	36%	0.364	20%	0.195	S	C	.	.			trans	-76.6	-27.3	-178.6	-58.3	-173.9	143.3	0	0	113.7	N515 N539 L562 H563	N515-E541 VanDerWaalsContact ND2-CD 3.31Å; N515-E541 PolarHBondContact ND2-OE2 2.98Å; N515-E541 PolarHBondContact O-N 3.18Å; N515-E541 VanDerWaalsContact O-N 3.11Å; N539-E541 PolarHBondContact O-N 2.92Å; E541-L562 HydrophobicContact CB-CB 4.46Å; E541-L562 HydrophobicContact CB-CD1 4.09Å; E541-L562 HydrophobicContact CB-CG 4.06Å; E541-L562 HydrophobicContact CG-CD1 4.08Å; E541-L562 HydrophobicContact CG-CG 4.3Å; E541-L562 WeakPolarHBondContact O-CA 3.33Å; E541-L562 PolarHBondContact O-N 2.89Å; E541-H563 PolarHBondContact O-N 3.11Å
542	S	98	Very high	89.4	Confident	17 Å²	17	41.1 Å²	41.1	12%	0.119	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	122.1	-168.5	-173.3	0	0	0	0	114.9	N515 V516 I517 H563	N515-S542 PolarHBondContact O-N 2.9Å; V516-S542 WeakPolarHBondContact CA-O 3.27Å; I517-S542 PolarHBondContact N-O 2.9Å; S542-H563 PolarHBondContact OG-ND1 3.47Å
543	I	97.3	Very high	90.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.5	175.5	-66.1	174.2	0	0	0	110.8	I517 W534 L540 L545 L557 P558 L561 H563 L564 I565	I517-I543 WeakPolarHBondContact O-CA 3.34Å; W534-I543 HydrophobicContact CD2-CD1 4.39Å; W534-I543 HydrophobicContact CE3-CD1 4.1Å; W534-I543 HydrophobicContact CZ3-CD1 4.41Å; L540-I543 HydrophobicContact CD1-CG1 3.97Å; L540-I543 HydrophobicContact CD2-CD1 3.93Å; L540-I543 HydrophobicContact CD2-CG1 4.14Å; L540-I543 HydrophobicContact CG-CD1 4.16Å; L540-I543 HydrophobicContact CG-CG1 4.05Å; I543-L545 HydrophobicContact CG2-CD1 3.65Å; I543-L545 HydrophobicContact CG2-CG 3.64Å; I543-L557 HydrophobicContact CD1-CD2 4.28Å; I543-P558 HydrophobicContact CD1-CG 3.87Å; I543-L561 HydrophobicContact CB-CD1 4.04Å; I543-L561 HydrophobicContact CD1-CD1 3.77Å; I543-L561 HydrophobicContact CD1-CD2 4.46Å; I543-L561 HydrophobicContact CG1-CD1 3.66Å; I543-H563 PolarHBondContact N-O 3.19Å; I543-L564 HydrophobicContact CG2-CD1 4.49Å; I543-I565 PolarHBondContact O-N 2.69Å
544	D	98.6	Very high	90.9	Very high	21 Å²	21	39.4 Å²	39.4	11%	0.112	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	109.7	167	-173.7	5.1	0	0	0	111.7	I517 V518 L519 K520 S546 I565	I517-D544 PolarHBondContact O-N 2.89Å; V518-D544 HydrophobicContact CG1-CB 4.26Å; V518-D544 HydrophobicContact CG2-CB 4.48Å; L519-D544 CarbonylContact C-O 3.58Å; L519-D544 WeakPolarHBondContact CA-O 3.46Å; L519-D544 PolarHBondContact N-O 3.14Å; K520-D544 WeakPolarHBondContact CD-OD2 3.3Å; K520-D544 PolarHBondContact N-O 2.82Å; D544-S546 WeakPolarHBondContact OD1-CB 3.22Å; D544-S546 PolarHBondContact OD1-N 2.76Å; D544-S546 PolarHBondContact OD1-OG 3.32Å; D544-I565 HydrophobicContact CB-CB 4.18Å; D544-I565 HydrophobicContact CB-CD1 4.27Å
545	L	97.8	Very high	90.9	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.202	C	C	.	.			trans	-111.5	18.5	176.7	-75.4	164.2	0	0	0	111.7	L519 L524 I543 N548 L550 I565 L566 N569	L519-L545 HydrophobicContact CB-CD2 4.06Å; L519-L545 HydrophobicContact CD1-CD2 4.23Å; L524-L545 HydrophobicContact CD1-CD2 3.46Å; L524-L545 VanDerWaalsContact CD1-CD2 3.46Å; I543-L545 HydrophobicContact CG2-CD1 3.65Å; I543-L545 HydrophobicContact CG2-CG 3.64Å; L545-N548 PolarHBondContact O-ND2 2.98Å; L545-L550 HydrophobicContact CB-CD1 4.03Å; L545-L550 HydrophobicContact CD1-CD1 4.24Å; L545-I565 PolarHBondContact N-O 3.19Å; L545-L566 HydrophobicContact CB-CD2 3.77Å; L545-L566 HydrophobicContact CD1-CD2 4.17Å; L545-N569 PolarHBondContact O-ND2 3.43Å
546	S	98.6	Very high	91.1	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.021	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	147.1	-178	-56.7	0	0	0	0	113.4	K520 H521 D544 N548 I565 I567	K520-S546 CarbonylContact C-O 3.39Å; K520-S546 WeakPolarHBondContact CA-O 3.46Å; H521-S546 PolarHBondContact N-O 3.42Å; D544-S546 WeakPolarHBondContact OD1-CB 3.22Å; D544-S546 PolarHBondContact OD1-N 2.76Å; D544-S546 PolarHBondContact OD1-OG 3.32Å; S546-N548 VanDerWaalsContact C-N 3.3Å; S546-N548 PolarHBondContact O-N 2.86Å; S546-N548 PolarHBondContact O-ND2 2.95Å; S546-I565 PolarHBondContact N-O 3.45Å; S546-I565 WeakPolarHBondContact OG-CG2 3.39Å; S546-I567 CarbonylContact C-O 3.09Å; S546-I567 WeakPolarHBondContact CA-O 3.23Å; S546-I567 VanDerWaalsContact CB-O 3.26Å; S546-I567 WeakPolarHBondContact CB-O 3.2Å
547	Y	98.4	Very high	91.8	Very high	98 Å²	98	37.9 Å²	37.9	38%	0.384	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	44	175.8	-54.2	-86.5	0	0	0	113.4	K520 H521 I567 G568	K520-Y547 HydrophobicContact CG-CD2 4.32Å; H521-Y547 WeakPolarHBondContact CA-O 3.37Å; H521-Y547 AromaticContact CE1-CD1 3.82Å; H521-Y547 AromaticContact CE1-CD2 3.38Å; H521-Y547 WeakPolarHBondContact CE1-CD2 3.35Å; H521-Y547 AromaticContact CE1-CG 3.28Å; H521-Y547 WeakPolarHBondContact ND1-CB 3.39Å; H521-Y547 AromaticContact ND1-CD2 3.89Å; H521-Y547 AromaticContact ND1-CG 3.52Å; H521-Y547 AromaticContact NE2-CD2 3.81Å; Y547-I567 HydrophobicContact CE2-CG2 4.24Å; Y547-I567 PolarHBondContact N-O 3.45Å; Y547-G568 WeakPolarHBondContact CA-O 3.43Å
548	N	97.8	Very high	91.9	Very high	11 Å²	11	37.7 Å²	37.7	6%	0.059	18%	0.179	C	C	.	.	S	Bend	trans	-104.3	-157.7	164.3	-77.7	-81.9	0	0	0	108.8	L519 N522 K523 L524 L545 S546 L550 N569	L519-N548 PolarHBondContact O-ND2 2.96Å; N522-N548 VanDerWaalsContact CA-OD1 3.28Å; N522-N548 WeakPolarHBondContact CA-OD1 3.46Å; N522-N548 WeakPolarHBondContact CB-OD1 3.39Å; N522-N548 PolarHBondContact N-OD1 3.13Å; N522-N548 PolarHBondContact O-OD1 3.25Å; K523-N548 PolarHBondContact N-OD1 3.02Å; L524-N548 HydrophobicContact CB-CB 4.04Å; L524-N548 WeakPolarHBondContact CB-OD1 3.45Å; L524-N548 PolarHBondContact N-OD1 2.76Å; L545-N548 PolarHBondContact O-ND2 2.98Å; S546-N548 VanDerWaalsContact C-N 3.3Å; S546-N548 PolarHBondContact O-N 2.86Å; S546-N548 PolarHBondContact O-ND2 2.95Å; N548-L550 HydrophobicContact CB-CG 4.38Å; N548-N569 VanDerWaalsContact CA-OD1 3.26Å; N548-N569 WeakPolarHBondContact CA-OD1 3.08Å; N548-N569 VanDerWaalsContact CB-OD1 3.25Å; N548-N569 WeakPolarHBondContact CB-OD1 3.3Å; N548-N569 PolarHBondContact N-OD1 2.8Å; N548-N569 PolarHBondContact O-OD1 3.25Å
549	K	95	Very high	92	Very high	66 Å²	66	35.6 Å²	35.6	29%	0.287	17%	0.167	S	C	.	.			trans	-115.2	25.6	-178.3	-53.3	167.9	-175	156.8	0	112.8	K523 L524 E525 Y551 N569	K523-K549 WeakPolarHBondContact O-CD 3.48Å; K523-K549 PolarHBondContact O-NZ 2.94Å; L524-K549 WeakPolarHBondContact O-CA 3.45Å; L524-K549 WeakPolarHBondContact O-CB 3.48Å; L524-K549 PolarHBondContact O-N 2.78Å; E525-K549 HydrophobicContact CG-CB 3.89Å; E525-K549 HydrophobicContact CG-CD 3.63Å; E525-K549 HydrophobicContact CG-CG 4.46Å; E525-K549 WeakPolarHBondContact OE1-CD 3.48Å; E525-K549 WeakPolarHBondContact OE1-CE 3.33Å; E525-K549 IonicContact OE1-NZ 3.07Å; E525-K549 PolarHBondContact OE1-NZ 3.12Å; K549-Y551 WeakPolarHBondContact O-CD2 3.43Å; K549-Y551 WeakPolarHBondContact O-CE2 3.4Å; K549-Y551 PolarHBondContact O-N 2.91Å; K549-N569 PolarHBondContact N-OD1 3.16Å
550	L	92.6	Very high	92	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	15%	0.152	C	C	.	.			trans	-66.4	132.5	-174.9	-55.7	175.6	0	0	0	111.1	E526 I529 L545 N548 P554 L566 N569 Q570 I571	E526-L550 HydrophobicContact CB-CD2 3.99Å; I529-L550 HydrophobicContact CD1-CD2 3.89Å; L545-L550 HydrophobicContact CB-CD1 4.03Å; L545-L550 HydrophobicContact CD1-CD1 4.24Å; N548-L550 HydrophobicContact CB-CG 4.38Å; L550-P554 HydrophobicContact CD1-CG 4.13Å; L550-L566 HydrophobicContact CD1-CD2 3.54Å; L550-N569 HydrophobicContact CB-CB 4.23Å; L550-N569 WeakPolarHBondContact CG-OD1 3.5Å; L550-N569 PolarHBondContact N-OD1 2.8Å; L550-N569 VanDerWaalsContact N-OD1 3.13Å; L550-Q570 CarbonylContact O-C 3.43Å; L550-Q570 VanDerWaalsContact O-CA 3.31Å; L550-Q570 WeakPolarHBondContact O-CA 3.3Å; L550-Q570 PolarHBondContact O-N 3.08Å; L550-I571 HydrophobicContact CB-CD1 4.43Å; L550-I571 HydrophobicContact CB-CG1 4.16Å; L550-I571 WeakPolarHBondContact O-CG1 3.23Å; L550-I571 PolarHBondContact O-N 2.9Å; L550-I571 VanDerWaalsContact O-N 3.14Å
551	Y	90.8	Very high	92	Very high	100 Å²	100	32.5 Å²	32.5	39%	0.392	15%	0.152	S	C	.	.	S	Bend	trans	-99.9	-20.5	178.1	-64.1	-79.2	0	0	0	113.3	K549 Q570 I571 E572 R573	K549-Y551 WeakPolarHBondContact O-CD2 3.43Å; K549-Y551 WeakPolarHBondContact O-CE2 3.4Å; K549-Y551 PolarHBondContact O-N 2.91Å; Y551-Q570 HydrophobicContact CD1-CB 3.8Å; Y551-Q570 HydrophobicContact CE1-CB 3.83Å; Y551-Q570 HydrophobicContact CE1-CG 4.37Å; Y551-Q570 VanDerWaalsContact CZ-NE2 3.33Å; Y551-Q570 PolarHBondContact OH-NE2 3.34Å; Y551-I571 CarbonylContact O-C 3.35Å; Y551-I571 WeakPolarHBondContact O-CA 3.34Å; Y551-E572 PolarHBondContact O-N 3.26Å; Y551-R573 PolarHBondContact O-N 3.07Å
552	H	89.3	Confident	92	Very high	73 Å²	73	29.9 Å²	29.9	34%	0.338	14%	0.14	S	C	.	.	B	Isolated β-bridge	trans	-131.6	158.4	176.3	-60.6	-21.9	0	0	0	109.2	P554 R573	H552-P554 WeakPolarHBondContact O-CD 3.32Å; H552-R573 VanDerWaalsContact CA-O 3.32Å; H552-R573 WeakPolarHBondContact CA-O 3.37Å; H552-R573 WeakPolarHBondContact ND1-CB 3.34Å
553	V	91.4	Very high	92	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-65.2	122.8	164.5	176.9	0	0	0	0	107.9	S555 L564 L566 I571 R573 I574 V578 F579 L591	V553-S555 PolarHBondContact O-N 3.13Å; V553-L564 HydrophobicContact CG1-CD2 4.33Å; V553-L566 HydrophobicContact CG1-CD1 4.16Å; V553-L566 HydrophobicContact CG2-CD1 4.15Å; V553-I571 HydrophobicContact CG2-CD1 4.45Å; V553-I571 HydrophobicContact CG2-CG2 4.17Å; V553-R573 PolarHBondContact N-O 3.46Å; V553-R573 VanDerWaalsContact N-O 3.08Å; V553-I574 HydrophobicContact CB-CG2 4.27Å; V553-I574 HydrophobicContact CG2-CB 4.22Å; V553-I574 HydrophobicContact CG2-CG1 3.89Å; V553-I574 HydrophobicContact CG2-CG2 3.98Å; V553-V578 HydrophobicContact CG1-CG1 4.35Å; V553-V578 HydrophobicContact CG1-CG2 4.23Å; V553-F579 HydrophobicContact CG1-CE1 4.07Å; V553-F579 HydrophobicContact CG1-CZ 4.01Å; V553-L591 HydrophobicContact CG2-CD2 3.95Å
554	P	86.1	Confident	92	Very high	4 Å²	4	32.1 Å²	32.1	3%	0.026	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-60.7	133.2	-176.9	-25	34.9	0	0	0	112.4	I529 L550 H552 L557	I529-P554 HydrophobicContact CD1-CG 4.26Å; L550-P554 HydrophobicContact CD1-CG 4.13Å; H552-P554 WeakPolarHBondContact O-CD 3.32Å; P554-L557 WeakPolarHBondContact O-CD1 3.1Å; P554-L557 WeakPolarHBondContact O-CG 3.29Å
555	S	76.9	Confident	92	Very high	49 Å²	49	32.8 Å²	32.8	34%	0.343	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	162.5	166.8	-64.6	0	0	0	0	111.2	V553 L557	V553-S555 PolarHBondContact O-N 3.13Å; S555-L557 VanDerWaalsContact C-N 3.27Å; S555-L557 PolarHBondContact O-N 3.03Å
556	Y	74.1	Confident	92.1	Very high	32 Å²	32	32.8 Å²	32.8	13%	0.125	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	25	168.6	-48.1	-61.7	0	0	0	117	M111 Y112 A115 P531	M111-Y556 WeakPolarHBondContact CA-OH 3.43Å; M111-Y556 WeakPolarHBondContact CE-OH 3.35Å; M111-Y556 PolarHBondContact SD-OH 3.33Å; Y112-Y556 AromaticContact CD2-CD1 3.49Å; Y112-Y556 HydrophobicContact CD2-CD1 3.49Å; Y112-Y556 VanDerWaalsContact CD2-CD1 3.49Å; Y112-Y556 AromaticContact CD2-CD2 3.93Å; Y112-Y556 HydrophobicContact CD2-CD2 3.93Å; Y112-Y556 AromaticContact CD2-CE1 3.48Å; Y112-Y556 HydrophobicContact CD2-CE1 3.48Å; Y112-Y556 VanDerWaalsContact CD2-CE1 3.48Å; Y112-Y556 AromaticContact CD2-CE2 3.9Å; Y112-Y556 HydrophobicContact CD2-CE2 3.9Å; Y112-Y556 AromaticContact CD2-CG 3.66Å; Y112-Y556 HydrophobicContact CD2-CG 3.66Å; Y112-Y556 AromaticContact CD2-CZ 3.63Å; Y112-Y556 AromaticContact CE2-CD1 3.93Å; Y112-Y556 HydrophobicContact CE2-CD1 3.93Å; Y112-Y556 AromaticContact CE2-CD2 3.49Å; Y112-Y556 HydrophobicContact CE2-CD2 3.49Å; Y112-Y556 VanDerWaalsContact CE2-CD2 3.49Å; Y112-Y556 HydrophobicContact CE2-CE1 4.08Å; Y112-Y556 AromaticContact CE2-CE2 3.65Å; Y112-Y556 HydrophobicContact CE2-CE2 3.65Å; Y112-Y556 AromaticContact CE2-CG 3.58Å; Y112-Y556 HydrophobicContact CE2-CG 3.58Å; Y112-Y556 AromaticContact CE2-CZ 3.89Å; Y112-Y556 HydrophobicContact CG-CE1 4.39Å; A115-Y556 HydrophobicContact CB-CE1 3.64Å; P531-Y556 HydrophobicContact CB-CD2 3.58Å; P531-Y556 HydrophobicContact CB-CE2 4.16Å; P531-Y556 HydrophobicContact CB-CG 4.48Å; P531-Y556 VanDerWaalsContact O-CB 3.26Å; P531-Y556 WeakPolarHBondContact O-CB 3.38Å
557	L	87.3	Confident	92.1	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.005	16%	0.159	C	C	.	.			trans	-51.7	157.8	164.1	-67.2	167.6	0	0	0	112	I543 P554 S555 L561 L564 F579 H581 M582	I543-L557 HydrophobicContact CD1-CD2 4.28Å; P554-L557 WeakPolarHBondContact O-CD1 3.1Å; P554-L557 WeakPolarHBondContact O-CG 3.29Å; S555-L557 VanDerWaalsContact C-N 3.27Å; S555-L557 PolarHBondContact O-N 3.03Å; L557-L561 HydrophobicContact CB-CD2 4.15Å; L557-L561 HydrophobicContact CD1-CD2 4.24Å; L557-L561 HydrophobicContact CD2-CD2 4.35Å; L557-L561 HydrophobicContact CG-CD2 4.49Å; L557-L564 HydrophobicContact CD1-CD1 4.18Å; L557-L564 HydrophobicContact CD1-CD2 3.52Å; L557-L564 HydrophobicContact CD1-CG 4.49Å; L557-L564 HydrophobicContact CD2-CD1 4.23Å; L557-F579 HydrophobicContact CD1-CE1 4.49Å; L557-H581 PolarHBondContact O-NE2 3.05Å; L557-M582 HydrophobicContact CB-CE 3.53Å; L557-M582 HydrophobicContact CD1-CE 3.92Å; L557-M582 HydrophobicContact CG-CE 4.4Å
558	P	88.8	Confident	92	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.15	C	C	.	.			trans	-57	150.4	-177.6	-20.4	30.8	0	0	0	112.9	W534 L540 I543 S560 L561	W534-P558 HydrophobicContact CB-CG 3.96Å; L540-P558 HydrophobicContact CB-CB 4.15Å; L540-P558 HydrophobicContact CB-CG 3.94Å; L540-P558 HydrophobicContact CD2-CG 3.6Å; L540-P558 HydrophobicContact CG-CB 4.41Å; L540-P558 HydrophobicContact CG-CG 3.7Å; I543-P558 HydrophobicContact CD1-CG 3.87Å; P558-S560 VanDerWaalsContact C-N 3.34Å; P558-L561 HydrophobicContact CB-CB 4.28Å; P558-L561 HydrophobicContact CG-CD1 4.41Å; P558-L561 WeakPolarHBondContact O-CB 3.35Å; P558-L561 PolarHBondContact O-N 2.94Å
559	K	88.8	Confident	92.1	Very high	111 Å²	111	30.4 Å²	30.4	48%	0.483	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-35.6	177.1	-70.6	165.5	-174.9	147.9	0	111.9	L561 M582 K583	K559-L561 VanDerWaalsContact C-N 3.28Å; K559-L561 PolarHBondContact O-N 2.8Å; K559-M582 CarbonylContact O-C 3.55Å; K559-M582 VanDerWaalsContact O-CA 3.27Å; K559-M582 WeakPolarHBondContact O-CA 3.28Å; K559-K583 CarbonylContact O-C 3.58Å; K559-K583 PolarHBondContact O-N 3.04Å; K559-K583 VanDerWaalsContact O-O 3.08Å
560	S	93	Very high	92.1	Very high	19 Å²	19	30.1 Å²	30.1	13%	0.133	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	2.1	-179.9	34.3	0	0	0	0	114.5	Q537 E538 L540 P558 L562	Q537-S560 PolarHBondContact O-OG 2.95Å; E538-S560 VanDerWaalsContact O-CB 3.23Å; E538-S560 WeakPolarHBondContact O-CB 3.23Å; E538-S560 PolarHBondContact O-OG 3.02Å; L540-S560 PolarHBondContact N-OG 2.88Å; P558-S560 VanDerWaalsContact C-N 3.34Å; S560-L562 WeakPolarHBondContact O-CG 3.42Å; S560-L562 PolarHBondContact O-N 3.04Å
561	L	94.5	Very high	92.3	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.149	C	C	.	.			trans	-63.6	121.6	-173.7	-165	73.7	0	0	0	112	L540 I543 L557 P558 K559 H563 L564 M582 L586	L540-L561 WeakPolarHBondContact O-CA 3.49Å; I543-L561 HydrophobicContact CB-CD1 4.04Å; I543-L561 HydrophobicContact CD1-CD1 3.77Å; I543-L561 HydrophobicContact CD1-CD2 4.46Å; I543-L561 HydrophobicContact CG1-CD1 3.66Å; L557-L561 HydrophobicContact CB-CD2 4.15Å; L557-L561 HydrophobicContact CD1-CD2 4.24Å; L557-L561 HydrophobicContact CD2-CD2 4.35Å; L557-L561 HydrophobicContact CG-CD2 4.49Å; P558-L561 HydrophobicContact CB-CB 4.28Å; P558-L561 HydrophobicContact CG-CD1 4.41Å; P558-L561 WeakPolarHBondContact O-CB 3.35Å; P558-L561 PolarHBondContact O-N 2.94Å; K559-L561 VanDerWaalsContact C-N 3.28Å; K559-L561 PolarHBondContact O-N 2.8Å; L561-H563 WeakPolarHBondContact CD1-O 3.47Å; L561-L564 HydrophobicContact CD2-CB 3.97Å; L561-L564 HydrophobicContact CD2-CD1 4.09Å; L561-L564 HydrophobicContact CD2-CG 4.42Å; L561-M582 HydrophobicContact CB-CE 4.2Å; L561-M582 HydrophobicContact CB-SD 4.48Å; L561-M582 HydrophobicContact CD2-CE 4.02Å; L561-L586 HydrophobicContact CB-CD1 4.48Å; L561-L586 HydrophobicContact CD2-CD1 4.04Å; L561-L586 HydrophobicContact CG-CD1 4.01Å
562	L	96.9	Very high	92.5	Very high	23 Å²	23	29.1 Å²	29.1	12%	0.12	15%	0.148	C	C	.	.			trans	-103.5	-36.5	176.8	-52.2	-175.8	0	0	0	111.5	E541 S560 P584 L586 E587 Y588	E541-L562 HydrophobicContact CB-CB 4.46Å; E541-L562 HydrophobicContact CB-CD1 4.09Å; E541-L562 HydrophobicContact CB-CG 4.06Å; E541-L562 HydrophobicContact CG-CD1 4.08Å; E541-L562 HydrophobicContact CG-CG 4.3Å; E541-L562 WeakPolarHBondContact O-CA 3.33Å; E541-L562 PolarHBondContact O-N 2.89Å; S560-L562 WeakPolarHBondContact O-CG 3.42Å; S560-L562 PolarHBondContact O-N 3.04Å; L562-P584 HydrophobicContact CD2-CG 3.57Å; L562-L586 WeakPolarHBondContact O-CD1 3.49Å; L562-E587 PolarHBondContact O-N 2.84Å; L562-Y588 PolarHBondContact O-N 2.95Å
563	H	98.1	Very high	92.5	Very high	63 Å²	63	31.2 Å²	31.2	29%	0.292	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	121.5	-176.3	-46.8	156.2	0	0	0	110.8	E541 S542 I543 L561 Y588	E541-H563 PolarHBondContact O-N 3.11Å; S542-H563 PolarHBondContact OG-ND1 3.47Å; I543-H563 PolarHBondContact N-O 3.19Å; L561-H563 WeakPolarHBondContact CD1-O 3.47Å; H563-Y588 AromaticContact CD2-CD2 3.33Å; H563-Y588 WeakPolarHBondContact CD2-CD2 3.23Å; H563-Y588 AromaticContact CD2-CE2 3.83Å; H563-Y588 AromaticContact NE2-CD2 3.74Å; H563-Y588 AromaticContact NE2-CE2 3.73Å
564	L	98	Very high	92.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	112.9	173.5	-178.2	60.9	0	0	0	110.5	I543 V553 L557 L561 L566 F579 L586 Y588 L589 Y590	I543-L564 HydrophobicContact CG2-CD1 4.49Å; V553-L564 HydrophobicContact CG1-CD2 4.33Å; L557-L564 HydrophobicContact CD1-CD1 4.18Å; L557-L564 HydrophobicContact CD1-CD2 3.52Å; L557-L564 HydrophobicContact CD1-CG 4.49Å; L557-L564 HydrophobicContact CD2-CD1 4.23Å; L561-L564 HydrophobicContact CD2-CB 3.97Å; L561-L564 HydrophobicContact CD2-CD1 4.09Å; L561-L564 HydrophobicContact CD2-CG 4.42Å; L564-L566 HydrophobicContact CD1-CD1 4.1Å; L564-L566 HydrophobicContact CD1-CD2 4.45Å; L564-L566 HydrophobicContact CD1-CG 4.06Å; L564-L566 HydrophobicContact CD2-CD1 3.7Å; L564-L566 HydrophobicContact CD2-CG 4.5Å; L564-L566 HydrophobicContact CG-CD1 3.74Å; L564-L566 HydrophobicContact CG-CG 4.01Å; L564-F579 HydrophobicContact CD2-CE1 3.81Å; L564-F579 HydrophobicContact CD2-CZ 4.44Å; L564-L586 HydrophobicContact CB-CD1 3.83Å; L564-L586 HydrophobicContact CB-CD2 4.09Å; L564-Y588 PolarHBondContact N-O 3.41Å; L564-L589 HydrophobicContact CB-CD1 4.14Å; L564-L589 HydrophobicContact CD2-CD1 3.86Å; L564-L589 HydrophobicContact CG-CD1 4.11Å; L564-Y590 PolarHBondContact O-N 3.36Å
565	I	98.7	Very high	92.6	Very high	35 Å²	35	32.5 Å²	32.5	18%	0.179	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.2	179.9	-43	-176.7	0	0	0	109.4	I543 D544 L545 S546 I567 Y590	I543-I565 PolarHBondContact O-N 2.69Å; D544-I565 HydrophobicContact CB-CB 4.18Å; D544-I565 HydrophobicContact CB-CD1 4.27Å; L545-I565 PolarHBondContact N-O 3.19Å; S546-I565 PolarHBondContact N-O 3.45Å; S546-I565 WeakPolarHBondContact OG-CG2 3.39Å; I565-I567 HydrophobicContact CG2-CB 4.48Å; I565-I567 HydrophobicContact CG2-CD1 3.77Å; I565-I567 HydrophobicContact CG2-CG1 3.86Å; I565-Y590 HydrophobicContact CB-CD2 4.46Å; I565-Y590 HydrophobicContact CD1-CD2 4.21Å; I565-Y590 HydrophobicContact CD1-CE2 4.47Å; I565-Y590 HydrophobicContact CG1-CD2 3.92Å; I565-Y590 HydrophobicContact CG2-CD2 4.04Å
566	L	98.3	Very high	92.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.			trans	-129.9	22	-174.9	-71.5	167	0	0	0	111.6	L545 L550 V553 L564 N569 I571 Y590 L591 N594	L545-L566 HydrophobicContact CB-CD2 3.77Å; L545-L566 HydrophobicContact CD1-CD2 4.17Å; L550-L566 HydrophobicContact CD1-CD2 3.54Å; V553-L566 HydrophobicContact CG1-CD1 4.16Å; V553-L566 HydrophobicContact CG2-CD1 4.15Å; L564-L566 HydrophobicContact CD1-CD1 4.1Å; L564-L566 HydrophobicContact CD1-CD2 4.45Å; L564-L566 HydrophobicContact CD1-CG 4.06Å; L564-L566 HydrophobicContact CD2-CD1 3.7Å; L564-L566 HydrophobicContact CD2-CG 4.5Å; L564-L566 HydrophobicContact CG-CD1 3.74Å; L564-L566 HydrophobicContact CG-CG 4.01Å; L566-N569 PolarHBondContact O-ND2 3.27Å; L566-I571 HydrophobicContact CB-CD1 3.83Å; L566-I571 HydrophobicContact CD1-CD1 4.01Å; L566-I571 HydrophobicContact CD2-CD1 4.13Å; L566-I571 HydrophobicContact CG-CD1 4.22Å; L566-Y590 CarbonylContact C-O 3.59Å; L566-Y590 WeakPolarHBondContact CA-O 3.29Å; L566-Y590 PolarHBondContact N-O 3.14Å; L566-L591 HydrophobicContact CB-CD2 3.81Å; L566-L591 HydrophobicContact CD1-CD2 3.78Å; L566-L591 HydrophobicContact CG-CD2 4.46Å; L566-N594 PolarHBondContact O-ND2 3.22Å
567	I	98.6	Very high	93.3	Very high	34 Å²	34	35.9 Å²	35.9	17%	0.174	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	137.1	-173.8	-61.8	171.1	0	0	0	110.9	S546 Y547 I565 N569 Y590 S592 F593	S546-I567 CarbonylContact C-O 3.09Å; S546-I567 WeakPolarHBondContact CA-O 3.23Å; S546-I567 VanDerWaalsContact CB-O 3.26Å; S546-I567 WeakPolarHBondContact CB-O 3.2Å; Y547-I567 HydrophobicContact CE2-CG2 4.24Å; Y547-I567 PolarHBondContact N-O 3.45Å; I565-I567 HydrophobicContact CG2-CB 4.48Å; I565-I567 HydrophobicContact CG2-CD1 3.77Å; I565-I567 HydrophobicContact CG2-CG1 3.86Å; I567-N569 PolarHBondContact O-N 3.26Å; I567-Y590 HydrophobicContact CD1-CD2 4.36Å; I567-Y590 HydrophobicContact CD1-CG 4.43Å; I567-Y590 PolarHBondContact N-O 3.43Å; I567-S592 CarbonylContact C-O 3.09Å; I567-S592 VanDerWaalsContact CA-O 3.27Å; I567-S592 WeakPolarHBondContact CA-O 3.38Å; I567-F593 HydrophobicContact CG2-CD2 4.2Å
568	G	98.1	Very high	93.2	Very high	18 Å²	18	36.3 Å²	36.3	19%	0.186	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	23.7	169.9	0	0	0	0	0	115.1	Y547 S592 F593	Y547-G568 WeakPolarHBondContact CA-O 3.43Å; G568-S592 PolarHBondContact N-O 3.07Å; G568-F593 CarbonylContact C-O 3.59Å; G568-F593 WeakPolarHBondContact CA-O 3.33Å; G568-F593 PolarHBondContact N-O 3.06Å
569	N	98.1	Very high	93.2	Very high	11 Å²	11	36.3 Å²	36.3	6%	0.059	18%	0.177	C	C	.	.	S	Bend	trans	-90.6	-162.2	172.7	-81.5	-84.8	0	0	0	110.4	L545 N548 K549 L550 L566 I567 I571 N594	L545-N569 PolarHBondContact O-ND2 3.43Å; N548-N569 VanDerWaalsContact CA-OD1 3.26Å; N548-N569 WeakPolarHBondContact CA-OD1 3.08Å; N548-N569 VanDerWaalsContact CB-OD1 3.25Å; N548-N569 WeakPolarHBondContact CB-OD1 3.3Å; N548-N569 PolarHBondContact N-OD1 2.8Å; N548-N569 PolarHBondContact O-OD1 3.25Å; K549-N569 PolarHBondContact N-OD1 3.16Å; L550-N569 HydrophobicContact CB-CB 4.23Å; L550-N569 WeakPolarHBondContact CG-OD1 3.5Å; L550-N569 PolarHBondContact N-OD1 2.8Å; L550-N569 VanDerWaalsContact N-OD1 3.13Å; L566-N569 PolarHBondContact O-ND2 3.27Å; I567-N569 PolarHBondContact O-N 3.26Å; N569-I571 HydrophobicContact CB-CD1 4.17Å; N569-I571 HydrophobicContact CB-CG1 3.92Å; N569-N594 VanDerWaalsContact CA-OD1 3.26Å; N569-N594 WeakPolarHBondContact CA-OD1 3.41Å; N569-N594 WeakPolarHBondContact CB-OD1 3.25Å; N569-N594 PolarHBondContact N-OD1 3.29Å; N569-N594 PolarHBondContact O-OD1 3.06Å
570	Q	96	Very high	93.1	Very high	60 Å²	60	32.6 Å²	32.6	28%	0.28	17%	0.171	S	C	.	.			trans	-112.6	29.4	175.5	-65.5	-164.9	82.4	0	0	112	L550 Y551 E572 N594 K595	L550-Q570 CarbonylContact O-C 3.43Å; L550-Q570 VanDerWaalsContact O-CA 3.31Å; L550-Q570 WeakPolarHBondContact O-CA 3.3Å; L550-Q570 PolarHBondContact O-N 3.08Å; Y551-Q570 HydrophobicContact CD1-CB 3.8Å; Y551-Q570 HydrophobicContact CE1-CB 3.83Å; Y551-Q570 HydrophobicContact CE1-CG 4.37Å; Y551-Q570 VanDerWaalsContact CZ-NE2 3.33Å; Y551-Q570 PolarHBondContact OH-NE2 3.34Å; Q570-E572 PolarHBondContact O-N 3.28Å; Q570-E572 VanDerWaalsContact O-N 3.16Å; Q570-N594 PolarHBondContact N-OD1 3.3Å; Q570-K595 HydrophobicContact CB-CD 4.42Å
571	I	96.4	Very high	92.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.178	C	C	.	.			trans	-68.3	118.2	-167	-61.2	173.6	0	0	0	110.5	L550 Y551 V553 L566 N569 R573 L591 N594 K595 L596	L550-I571 HydrophobicContact CB-CD1 4.43Å; L550-I571 HydrophobicContact CB-CG1 4.16Å; L550-I571 WeakPolarHBondContact O-CG1 3.23Å; L550-I571 PolarHBondContact O-N 2.9Å; L550-I571 VanDerWaalsContact O-N 3.14Å; Y551-I571 CarbonylContact O-C 3.35Å; Y551-I571 WeakPolarHBondContact O-CA 3.34Å; V553-I571 HydrophobicContact CG2-CD1 4.45Å; V553-I571 HydrophobicContact CG2-CG2 4.17Å; L566-I571 HydrophobicContact CB-CD1 3.83Å; L566-I571 HydrophobicContact CD1-CD1 4.01Å; L566-I571 HydrophobicContact CD2-CD1 4.13Å; L566-I571 HydrophobicContact CG-CD1 4.22Å; N569-I571 HydrophobicContact CB-CD1 4.17Å; N569-I571 HydrophobicContact CB-CG1 3.92Å; I571-R573 WeakPolarHBondContact CG2-O 3.47Å; I571-L591 HydrophobicContact CD1-CD2 3.79Å; I571-N594 HydrophobicContact CB-CB 4.12Å; I571-N594 VanDerWaalsContact CB-OD1 3.32Å; I571-N594 WeakPolarHBondContact CB-OD1 3.37Å; I571-N594 WeakPolarHBondContact CG1-OD1 3.49Å; I571-N594 PolarHBondContact N-OD1 3.38Å; I571-K595 CarbonylContact O-C 3.2Å; I571-K595 VanDerWaalsContact O-C 3.23Å; I571-K595 WeakPolarHBondContact O-CA 3.42Å; I571-K595 PolarHBondContact O-N 2.89Å; I571-L596 HydrophobicContact CG2-CD2 3.84Å; I571-L596 HydrophobicContact CG2-CG 4.32Å; I571-L596 PolarHBondContact O-N 2.67Å
572	E	94.7	Very high	92.3	Very high	79 Å²	79	35.1 Å²	35.1	37%	0.369	18%	0.18	S	C	.	.			trans	-105.7	-21	178.7	-72.2	169.8	-148	0	0	111.7	Y551 Q570 K595 G600	Y551-E572 PolarHBondContact O-N 3.26Å; Q570-E572 PolarHBondContact O-N 3.28Å; Q570-E572 VanDerWaalsContact O-N 3.16Å; E572-K595 HydrophobicContact CG-CB 3.56Å; E572-K595 HydrophobicContact CG-CD 3.67Å; E572-K595 HydrophobicContact CG-CG 4.31Å; E572-K595 WeakPolarHBondContact OE1-CD 3.48Å; E572-K595 WeakPolarHBondContact OE1-CE 3.45Å; E572-K595 IonicContact OE1-NZ 2.66Å; E572-K595 PolarHBondContact OE1-NZ 3.17Å; E572-G600 WeakPolarHBondContact O-CA 3.43Å
573	R	90.4	Very high	91.8	Very high	117 Å²	117	42 Å²	42	44%	0.442	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-134.5	141.4	177.6	-157.4	-179.5	178.4	157.9	0.3	114.6	Y551 H552 V553 I571 G600 D602	Y551-R573 PolarHBondContact O-N 3.07Å; H552-R573 VanDerWaalsContact CA-O 3.32Å; H552-R573 WeakPolarHBondContact CA-O 3.37Å; H552-R573 WeakPolarHBondContact ND1-CB 3.34Å; V553-R573 PolarHBondContact N-O 3.46Å; V553-R573 VanDerWaalsContact N-O 3.08Å; I571-R573 WeakPolarHBondContact CG2-O 3.47Å; R573-G600 CarbonylContact C-O 3.49Å; R573-G600 WeakPolarHBondContact CA-O 3.5Å; R573-G600 WeakPolarHBondContact CG-O 3.26Å; R573-D602 IonicContact NH2-OD2 2.74Å; R573-D602 PolarHBondContact NH2-OD2 3.43Å
574	I	93	Very high	91.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.228	C	C	.	.	B	Isolated β-bridge	trans	-104.3	122.8	156.8	-45.4	-179.9	0	0	0	106.8	V553 V578 F579 L591 L596 G600 I601 S605 F606	V553-I574 HydrophobicContact CB-CG2 4.27Å; V553-I574 HydrophobicContact CG2-CB 4.22Å; V553-I574 HydrophobicContact CG2-CG1 3.89Å; V553-I574 HydrophobicContact CG2-CG2 3.98Å; I574-V578 HydrophobicContact CG2-CG1 3.75Å; I574-F579 HydrophobicContact CG2-CE2 4.27Å; I574-L591 HydrophobicContact CD1-CD1 3.72Å; I574-L591 HydrophobicContact CG1-CD1 4.45Å; I574-L596 HydrophobicContact CD1-CD1 4.13Å; I574-L596 HydrophobicContact CD1-CD2 4.43Å; I574-L596 HydrophobicContact CG1-CD1 4.27Å; I574-L596 HydrophobicContact CG1-CD2 3.77Å; I574-G600 PolarHBondContact N-O 2.95Å; I574-I601 HydrophobicContact CD1-CD1 4.1Å; I574-I601 HydrophobicContact CD1-CG1 3.96Å; I574-I601 HydrophobicContact CD1-CG2 4.29Å; I574-I601 HydrophobicContact CG1-CG1 4.16Å; I574-S605 WeakPolarHBondContact CB-OG 3.34Å; I574-S605 WeakPolarHBondContact CG2-OG 3.41Å; I574-S605 PolarHBondContact O-OG 3.43Å; I574-F606 HydrophobicContact CD1-CE1 4.07Å; I574-F606 HydrophobicContact CD1-CZ 3.76Å
575	P	85.7	Confident	91	Very high	31 Å²	31	44.1 Å²	44.1	20%	0.201	23%	0.229	C	C	.	.			trans	-67.8	156.2	175.6	-18.9	31.7	0	0	0	112.4	V578 S605	P575-V578 HydrophobicContact CB-CB 4.21Å; P575-V578 HydrophobicContact CG-CB 4.45Å; P575-V578 HydrophobicContact CG-CG2 4.31Å; P575-S605 WeakPolarHBondContact O-CA 3.47Å; P575-S605 WeakPolarHBondContact O-CB 3.48Å; P575-S605 PolarHBondContact O-OG 3.44Å
576	G	82.8	Confident	90.9	Very high	24 Å²	24	42.5 Å²	42.5	25%	0.247	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	145.4	168.9	0	0	0	0	0	111.7	V578	G576-V578 PolarHBondContact O-N 2.93Å
577	Y	83.1	Confident	90.8	Very high	128 Å²	128	44.5 Å²	44.5	50%	0.502	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	12.7	178.1	-55.4	-70.9	0	0	0	116.9	F579 G580 V604 F607	Y577-F579 PolarHBondContact O-N 3.21Å; Y577-G580 PolarHBondContact O-N 3.39Å; Y577-V604 HydrophobicContact CD1-CB 4.31Å; Y577-V604 HydrophobicContact CD1-CG2 4.26Å; Y577-V604 HydrophobicContact CD2-CG2 3.77Å; Y577-V604 HydrophobicContact CE1-CB 3.89Å; Y577-V604 HydrophobicContact CE1-CG1 4.42Å; Y577-V604 HydrophobicContact CE1-CG2 3.99Å; Y577-V604 HydrophobicContact CE2-CB 4.27Å; Y577-V604 HydrophobicContact CE2-CG2 3.47Å; Y577-V604 VanDerWaalsContact CE2-CG2 3.47Å; Y577-V604 HydrophobicContact CG-CG2 4.15Å; Y577-V604 PolarHBondContact N-O 2.68Å; Y577-F607 HydrophobicContact CD1-CB 3.76Å; Y577-F607 AromaticContact CD1-CD1 3.64Å; Y577-F607 HydrophobicContact CD1-CD1 3.64Å; Y577-F607 HydrophobicContact CD1-CE1 4.39Å; Y577-F607 AromaticContact CD1-CG 3.73Å; Y577-F607 HydrophobicContact CD1-CG 3.73Å; Y577-F607 HydrophobicContact CE1-CB 4.07Å; Y577-F607 AromaticContact CE1-CD1 3.97Å; Y577-F607 HydrophobicContact CE1-CD1 3.97Å; Y577-F607 HydrophobicContact CE1-CD2 4.19Å; Y577-F607 HydrophobicContact CE1-CE1 4.48Å; Y577-F607 AromaticContact CE1-CG 3.81Å; Y577-F607 HydrophobicContact CE1-CG 3.81Å
578	V	84.3	Confident	90.8	Very high	9 Å²	9	45.1 Å²	45.1	6%	0.055	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.3	-172.1	71.7	0	0	0	0	114.5	V553 I574 P575 G576 H581	V553-V578 HydrophobicContact CG1-CG1 4.35Å; V553-V578 HydrophobicContact CG1-CG2 4.23Å; I574-V578 HydrophobicContact CG2-CG1 3.75Å; P575-V578 HydrophobicContact CB-CB 4.21Å; P575-V578 HydrophobicContact CG-CB 4.45Å; P575-V578 HydrophobicContact CG-CG2 4.31Å; G576-V578 PolarHBondContact O-N 2.93Å; V578-H581 PolarHBondContact O-CE1 3.08Å; V578-H581 VanDerWaalsContact O-CE1 3.29Å
579	F	90.3	Very high	90.8	Very high	1 Å²	1	44.3 Å²	44.3	0%	0.004	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105	-1.1	174.6	-49.9	-58.3	0	0	0	113.7	V553 L557 L564 I574 Y577 H581 M582 L586 L589 S605 F606 F607 A609	V553-F579 HydrophobicContact CG1-CE1 4.07Å; V553-F579 HydrophobicContact CG1-CZ 4.01Å; L557-F579 HydrophobicContact CD1-CE1 4.49Å; L564-F579 HydrophobicContact CD2-CE1 3.81Å; L564-F579 HydrophobicContact CD2-CZ 4.44Å; I574-F579 HydrophobicContact CG2-CE2 4.27Å; Y577-F579 PolarHBondContact O-N 3.21Å; F579-H581 VanDerWaalsContact C-N 3.27Å; F579-H581 PolarHBondContact O-N 3.31Å; F579-M582 HydrophobicContact CB-SD 4.06Å; F579-M582 HydrophobicContact CD1-CE 3.85Å; F579-M582 HydrophobicContact CD1-SD 3.94Å; F579-M582 HydrophobicContact CG-SD 4.46Å; F579-M582 WeakPolarHBondContact O-CB 3.44Å; F579-M582 PolarHBondContact O-N 3.31Å; F579-M582 VanDerWaalsContact O-N 3.15Å; F579-L586 HydrophobicContact CD1-CD2 4.21Å; F579-L586 HydrophobicContact CE1-CD2 4.11Å; F579-L589 HydrophobicContact CE2-CD2 3.75Å; F579-L589 HydrophobicContact CZ-CD1 4.27Å; F579-L589 HydrophobicContact CZ-CD2 3.64Å; F579-S605 VanDerWaalsContact CD2-O 3.28Å; F579-S605 WeakPolarHBondContact CD2-O 3.5Å; F579-F606 HydrophobicContact CD2-CD1 4.4Å; F579-F606 HydrophobicContact CE2-CD1 4.06Å; F579-F606 HydrophobicContact CE2-CE1 4.34Å; F579-F607 CarbonylContact C-O 3.52Å; F579-A609 HydrophobicContact CB-CB 4.36Å; F579-A609 HydrophobicContact CD2-CB 4.45Å
580	G	86.3	Confident	90.8	Very high	33 Å²	33	45.9 Å²	45.9	34%	0.34	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-19.4	-168.2	0	0	0	0	0	115.6	Y577 F607	Y577-G580 PolarHBondContact O-N 3.39Å; G580-F607 WeakPolarHBondContact CA-O 3.46Å; G580-F607 PolarHBondContact N-O 3.24Å
581	H	81.9	Confident	91	Very high	60 Å²	60	43 Å²	43	28%	0.278	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-5.8	177.7	63.3	-73.4	0	0	0	114.1	L557 V578 F579	L557-H581 PolarHBondContact O-NE2 3.05Å; V578-H581 PolarHBondContact O-CE1 3.08Å; V578-H581 VanDerWaalsContact O-CE1 3.29Å; F579-H581 VanDerWaalsContact C-N 3.27Å; F579-H581 PolarHBondContact O-N 3.31Å
582	M	88	Confident	91.1	Very high	11 Å²	11	43.2 Å²	43.2	5%	0.054	22%	0.215	C	C	.	.			trans	-75.1	139.5	-176	-63.7	178.1	172.3	0	0	112.1	L557 K559 L561 F579 L586	L557-M582 HydrophobicContact CB-CE 3.53Å; L557-M582 HydrophobicContact CD1-CE 3.92Å; L557-M582 HydrophobicContact CG-CE 4.4Å; K559-M582 CarbonylContact O-C 3.55Å; K559-M582 VanDerWaalsContact O-CA 3.27Å; K559-M582 WeakPolarHBondContact O-CA 3.28Å; L561-M582 HydrophobicContact CB-CE 4.2Å; L561-M582 HydrophobicContact CB-SD 4.48Å; L561-M582 HydrophobicContact CD2-CE 4.02Å; F579-M582 HydrophobicContact CB-SD 4.06Å; F579-M582 HydrophobicContact CD1-CE 3.85Å; F579-M582 HydrophobicContact CD1-SD 3.94Å; F579-M582 HydrophobicContact CG-SD 4.46Å; F579-M582 WeakPolarHBondContact O-CB 3.44Å; F579-M582 PolarHBondContact O-N 3.31Å; F579-M582 VanDerWaalsContact O-N 3.15Å; M582-L586 HydrophobicContact SD-CB 4.08Å; M582-L586 HydrophobicContact SD-CD1 4.36Å
583	K	87	Confident	91.2	Very high	167 Å²	167	44.2 Å²	44.2	73%	0.726	22%	0.218	S	C	*	.	S	Bend	trans	-145.9	118.4	177.7	-62.5	-166.5	179	-165.8	0	108.7	K559 G585	K559-K583 CarbonylContact O-C 3.58Å; K559-K583 PolarHBondContact O-N 3.04Å; K559-K583 VanDerWaalsContact O-O 3.08Å; K583-G585 VanDerWaalsContact C-N 3.34Å
584	P	89.9	Confident	91.6	Very high	108 Å²	108	39.2 Å²	39.2	70%	0.701	20%	0.2	S	C	*	.	S	Bend	cis	-75.7	-11.3	12.4	32	-37.6	0	0	0	115.4	L562	L562-P584 HydrophobicContact CD2-CG 3.57Å
585	G	89.9	Confident	91.8	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.01	22%	0.215	C	C	.	.			trans	115.4	154.6	-177.3	0	0	0	0	0	111.9	K583 S612	K583-G585 VanDerWaalsContact C-N 3.34Å; G585-S612 VanDerWaalsContact C-OG 3.23Å
586	L	95.6	Very high	92.4	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.			trans	-67.7	130	-174	-163.4	73.7	0	0	0	111.7	L561 L562 L564 F579 M582 L589 S612 L613	L561-L586 HydrophobicContact CB-CD1 4.48Å; L561-L586 HydrophobicContact CD2-CD1 4.04Å; L561-L586 HydrophobicContact CG-CD1 4.01Å; L562-L586 WeakPolarHBondContact O-CD1 3.49Å; L564-L586 HydrophobicContact CB-CD1 3.83Å; L564-L586 HydrophobicContact CB-CD2 4.09Å; F579-L586 HydrophobicContact CD1-CD2 4.21Å; F579-L586 HydrophobicContact CE1-CD2 4.11Å; M582-L586 HydrophobicContact SD-CB 4.08Å; M582-L586 HydrophobicContact SD-CD1 4.36Å; L586-L589 HydrophobicContact CD2-CB 3.79Å; L586-L589 HydrophobicContact CD2-CD1 4.08Å; L586-L589 HydrophobicContact CD2-CD2 4.19Å; L586-L589 HydrophobicContact CD2-CG 4.24Å; L586-S612 PolarHBondContact N-OG 2.84Å; L586-S612 CarbonylContact O-C 3.48Å; L586-S612 VanDerWaalsContact O-CB 3.27Å; L586-S612 WeakPolarHBondContact O-CB 3.49Å; L586-S612 PolarHBondContact O-OG 3.12Å; L586-L613 HydrophobicContact CB-CD1 4.45Å; L586-L613 HydrophobicContact CD2-CD1 4.33Å; L586-L613 HydrophobicContact CG-CD1 4.34Å; L586-L613 WeakPolarHBondContact O-CA 3.39Å; L586-L613 WeakPolarHBondContact O-CD1 3.19Å; L586-L613 PolarHBondContact O-N 3.41Å
587	E	96.9	Very high	93	Very high	42 Å²	42	41.6 Å²	41.6	20%	0.196	20%	0.203	C	C	.	.	S	Bend	trans	-97.6	-31.5	177.8	-67	-152.7	154.2	0	0	113.4	L562 R614 E615	L562-E587 PolarHBondContact O-N 2.84Å; E587-R614 HydrophobicContact CB-CG 4.3Å; E587-R614 WeakPolarHBondContact O-CB 3.42Å; E587-R614 PolarHBondContact O-N 2.95Å; E587-R614 IonicContact OE1-CZ 3.99Å; E587-R614 VanDerWaalsContact OE1-CZ 3.25Å; E587-R614 IonicContact OE1-NE 2.83Å; E587-R614 PolarHBondContact OE1-NE 3.11Å; E587-R614 VanDerWaalsContact OE1-NE 3.1Å; E587-R614 IonicContact OE1-NH2 2.65Å; E587-R614 PolarHBondContact OE1-NH2 3.08Å; E587-R614 WeakPolarHBondContact OE2-CD 3.32Å; E587-R614 IonicContact OE2-CZ 3.04Å; E587-R614 IonicContact OE2-NE 3.84Å; E587-R614 PolarHBondContact OE2-NE 3.04Å; E587-R614 IonicContact OE2-NH2 3.97Å; E587-E615 PolarHBondContact O-N 2.95Å
588	Y	98.3	Very high	93.4	Very high	48 Å²	48	37.5 Å²	37.5	19%	0.188	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	124.9	-177.3	-53.9	-108.3	0	0	0	110.4	L562 H563 L564 Y590 E615	L562-Y588 PolarHBondContact O-N 2.95Å; H563-Y588 AromaticContact CD2-CD2 3.33Å; H563-Y588 WeakPolarHBondContact CD2-CD2 3.23Å; H563-Y588 AromaticContact CD2-CE2 3.83Å; H563-Y588 AromaticContact NE2-CD2 3.74Å; H563-Y588 AromaticContact NE2-CE2 3.73Å; L564-Y588 PolarHBondContact N-O 3.41Å; Y588-Y590 WeakPolarHBondContact CD1-OH 3.23Å; Y588-E615 HydrophobicContact CD1-CB 3.78Å; Y588-E615 HydrophobicContact CD1-CG 3.65Å; Y588-E615 HydrophobicContact CE1-CB 4.44Å; Y588-E615 HydrophobicContact CE1-CG 3.8Å; Y588-E615 WeakPolarHBondContact CE1-OE1 3.44Å
589	L	98.4	Very high	93.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	110.1	179.6	-179.9	52.6	0	0	0	110.7	L564 F579 L586 L591 F606 L613 E615 L616 F617	L564-L589 HydrophobicContact CB-CD1 4.14Å; L564-L589 HydrophobicContact CD2-CD1 3.86Å; L564-L589 HydrophobicContact CG-CD1 4.11Å; F579-L589 HydrophobicContact CE2-CD2 3.75Å; F579-L589 HydrophobicContact CZ-CD1 4.27Å; F579-L589 HydrophobicContact CZ-CD2 3.64Å; L586-L589 HydrophobicContact CD2-CB 3.79Å; L586-L589 HydrophobicContact CD2-CD1 4.08Å; L586-L589 HydrophobicContact CD2-CD2 4.19Å; L586-L589 HydrophobicContact CD2-CG 4.24Å; L589-L591 HydrophobicContact CD1-CD1 3.93Å; L589-L591 HydrophobicContact CD1-CG 3.99Å; L589-L591 HydrophobicContact CD2-CD1 3.96Å; L589-L591 HydrophobicContact CG-CD1 3.85Å; L589-L591 HydrophobicContact CG-CG 4.23Å; L589-F606 HydrophobicContact CD2-CD1 4.33Å; L589-F606 HydrophobicContact CD2-CE1 3.82Å; L589-L613 HydrophobicContact CB-CD1 3.91Å; L589-E615 PolarHBondContact N-O 3.39Å; L589-L616 HydrophobicContact CB-CD1 4.01Å; L589-L616 HydrophobicContact CD2-CD1 3.94Å; L589-L616 HydrophobicContact CG-CD1 3.94Å; L589-L616 WeakPolarHBondContact O-CA 3.13Å; L589-F617 PolarHBondContact O-N 2.99Å
590	Y	98.7	Very high	93.7	Very high	44 Å²	44	43.4 Å²	43.4	17%	0.173	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	102.3	-178.5	-54.4	-31	0	0	0	111.3	L564 I565 L566 I567 Y588 E615 F617	L564-Y590 PolarHBondContact O-N 3.36Å; I565-Y590 HydrophobicContact CB-CD2 4.46Å; I565-Y590 HydrophobicContact CD1-CD2 4.21Å; I565-Y590 HydrophobicContact CD1-CE2 4.47Å; I565-Y590 HydrophobicContact CG1-CD2 3.92Å; I565-Y590 HydrophobicContact CG2-CD2 4.04Å; L566-Y590 CarbonylContact C-O 3.59Å; L566-Y590 WeakPolarHBondContact CA-O 3.29Å; L566-Y590 PolarHBondContact N-O 3.14Å; I567-Y590 HydrophobicContact CD1-CD2 4.36Å; I567-Y590 HydrophobicContact CD1-CG 4.43Å; I567-Y590 PolarHBondContact N-O 3.43Å; Y588-Y590 WeakPolarHBondContact CD1-OH 3.23Å; Y590-E615 HydrophobicContact CE1-CB 3.9Å; Y590-F617 HydrophobicContact CD1-CB 4.06Å; Y590-F617 HydrophobicContact CD1-CD1 4.33Å; Y590-F617 AromaticContact CD1-CD2 3.18Å; Y590-F617 HydrophobicContact CD1-CD2 3.18Å; Y590-F617 AromaticContact CD1-CE2 3.51Å; Y590-F617 HydrophobicContact CD1-CE2 3.51Å; Y590-F617 AromaticContact CD1-CG 3.62Å; Y590-F617 HydrophobicContact CD1-CG 3.62Å; Y590-F617 HydrophobicContact CD1-CZ 4.21Å; Y590-F617 HydrophobicContact CE1-CD1 4.36Å; Y590-F617 AromaticContact CE1-CD2 3.46Å; Y590-F617 HydrophobicContact CE1-CD2 3.46Å; Y590-F617 VanDerWaalsContact CE1-CD2 3.46Å; Y590-F617 HydrophobicContact CE1-CE1 4.17Å; Y590-F617 AromaticContact CE1-CE2 3.23Å; Y590-F617 HydrophobicContact CE1-CE2 3.23Å; Y590-F617 HydrophobicContact CE1-CG 4.01Å; Y590-F617 AromaticContact CE1-CZ 3.61Å; Y590-F617 HydrophobicContact CE1-CZ 3.61Å; Y590-F617 HydrophobicContact CE2-CE2 4.43Å; Y590-F617 AromaticContact CG-CD2 3.81Å; Y590-F617 HydrophobicContact CG-CD2 3.81Å; Y590-F617 HydrophobicContact CG-CE2 4.22Å; Y590-F617 HydrophobicContact CG-CG 4.5Å; Y590-F617 AromaticContact CZ-CE2 3.75Å
591	L	98.4	Very high	94	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.209	C	C	.	.			trans	-110.9	17.2	179.4	-74	161.2	0	0	0	112.2	V553 L566 I571 I574 L589 N594 L596 F617 L618 N621	V553-L591 HydrophobicContact CG2-CD2 3.95Å; L566-L591 HydrophobicContact CB-CD2 3.81Å; L566-L591 HydrophobicContact CD1-CD2 3.78Å; L566-L591 HydrophobicContact CG-CD2 4.46Å; I571-L591 HydrophobicContact CD1-CD2 3.79Å; I574-L591 HydrophobicContact CD1-CD1 3.72Å; I574-L591 HydrophobicContact CG1-CD1 4.45Å; L589-L591 HydrophobicContact CD1-CD1 3.93Å; L589-L591 HydrophobicContact CD1-CG 3.99Å; L589-L591 HydrophobicContact CD2-CD1 3.96Å; L589-L591 HydrophobicContact CG-CD1 3.85Å; L589-L591 HydrophobicContact CG-CG 4.23Å; L591-N594 PolarHBondContact O-ND2 3.37Å; L591-L596 HydrophobicContact CB-CD1 4.08Å; L591-L596 HydrophobicContact CD1-CD1 4.1Å; L591-L596 HydrophobicContact CD2-CD1 4.44Å; L591-L596 HydrophobicContact CG-CD1 4.45Å; L591-F617 CarbonylContact C-O 3.14Å; L591-F617 WeakPolarHBondContact CA-O 3.35Å; L591-F617 WeakPolarHBondContact CB-O 3.35Å; L591-F617 PolarHBondContact N-O 2.89Å; L591-L618 HydrophobicContact CB-CD2 3.9Å; L591-L618 HydrophobicContact CD1-CD2 3.92Å; L591-N621 PolarHBondContact O-ND2 2.7Å
592	S	98.6	Very high	94.3	Very high	5 Å²	5	41.6 Å²	41.6	4%	0.035	21%	0.207	C	C	.	.			trans	-56.2	149	178.5	-46.5	0	0	0	0	112.7	I567 G568 N594 F617 D619	I567-S592 CarbonylContact C-O 3.09Å; I567-S592 VanDerWaalsContact CA-O 3.27Å; I567-S592 WeakPolarHBondContact CA-O 3.38Å; G568-S592 PolarHBondContact N-O 3.07Å; S592-N594 PolarHBondContact O-ND2 3.18Å; S592-F617 PolarHBondContact N-O 3.05Å; S592-F617 VanDerWaalsContact OG-CB 3.25Å; S592-F617 WeakPolarHBondContact OG-CB 3.38Å; S592-D619 CarbonylContact C-O 3.37Å; S592-D619 WeakPolarHBondContact CA-O 3.34Å; S592-D619 VanDerWaalsContact CB-OD1 3.29Å; S592-D619 WeakPolarHBondContact CB-OD1 3.3Å; S592-D619 PolarHBondContact OG-OD1 3.41Å
593	F	98.4	Very high	94.2	Very high	99 Å²	99	44.3 Å²	44.3	43%	0.434	23%	0.225	S	C	.	.	S	Bend	trans	55.8	54.8	178.9	-59.2	-91.8	0	0	0	112.9	I567 G568 D619 H620	I567-F593 HydrophobicContact CG2-CD2 4.2Å; G568-F593 CarbonylContact C-O 3.59Å; G568-F593 WeakPolarHBondContact CA-O 3.33Å; G568-F593 PolarHBondContact N-O 3.06Å; F593-D619 PolarHBondContact N-O 3.37Å; F593-H620 WeakPolarHBondContact CA-O 3.35Å; F593-H620 HydrophobicContact CB-CB 4.47Å; F593-H620 HydrophobicContact CD1-CB 3.62Å; F593-H620 AromaticContact CD1-CG 3.78Å; F593-H620 HydrophobicContact CD2-CB 4.35Å; F593-H620 HydrophobicContact CE1-CB 3.85Å; F593-H620 AromaticContact CE1-CD2 3.49Å; F593-H620 VanDerWaalsContact CE1-CD2 3.49Å; F593-H620 WeakPolarHBondContact CE1-CD2 3.36Å; F593-H620 AromaticContact CE1-CE1 3.89Å; F593-H620 AromaticContact CE1-CG 3.43Å; F593-H620 VanDerWaalsContact CE1-CG 3.43Å; F593-H620 AromaticContact CE1-ND1 3.7Å; F593-H620 AromaticContact CE1-NE2 3.81Å; F593-H620 AromaticContact CE2-ND1 3.64Å; F593-H620 HydrophobicContact CG-CB 3.89Å; F593-H620 HydrophobicContact CZ-CB 4.3Å; F593-H620 AromaticContact CZ-CD2 3.86Å; F593-H620 AromaticContact CZ-CE1 3.41Å; F593-H620 VanDerWaalsContact CZ-CE1 3.41Å; F593-H620 WeakPolarHBondContact CZ-CE1 3.11Å; F593-H620 AromaticContact CZ-CG 3.63Å; F593-H620 AromaticContact CZ-ND1 3.34Å; F593-H620 VanDerWaalsContact CZ-ND1 3.34Å; F593-H620 WeakPolarHBondContact CZ-ND1 3.31Å; F593-H620 AromaticContact CZ-NE2 3.76Å
594	N	98.4	Very high	94	Very high	12 Å²	12	38.3 Å²	38.3	6%	0.064	20%	0.202	C	C	.	.	S	Bend	trans	-125.6	-163	173.3	-82.5	-77.9	0	0	0	109.3	L566 N569 Q570 I571 L591 S592 H620 N621	L566-N594 PolarHBondContact O-ND2 3.22Å; N569-N594 VanDerWaalsContact CA-OD1 3.26Å; N569-N594 WeakPolarHBondContact CA-OD1 3.41Å; N569-N594 WeakPolarHBondContact CB-OD1 3.25Å; N569-N594 PolarHBondContact N-OD1 3.29Å; N569-N594 PolarHBondContact O-OD1 3.06Å; Q570-N594 PolarHBondContact N-OD1 3.3Å; I571-N594 HydrophobicContact CB-CB 4.12Å; I571-N594 VanDerWaalsContact CB-OD1 3.32Å; I571-N594 WeakPolarHBondContact CB-OD1 3.37Å; I571-N594 WeakPolarHBondContact CG1-OD1 3.49Å; I571-N594 PolarHBondContact N-OD1 3.38Å; L591-N594 PolarHBondContact O-ND2 3.37Å; S592-N594 PolarHBondContact O-ND2 3.18Å; N594-H620 PolarHBondContact N-O 3.11Å; N594-N621 VanDerWaalsContact CA-OD1 3.31Å; N594-N621 WeakPolarHBondContact CA-OD1 2.97Å; N594-N621 WeakPolarHBondContact CB-OD1 3.24Å; N594-N621 PolarHBondContact O-OD1 2.7Å
595	K	97.4	Very high	93.9	Very high	68 Å²	68	33.2 Å²	33.2	30%	0.296	17%	0.169	S	C	.	.			trans	-118.6	19.8	-177.8	-57.6	174.4	-171.1	171.8	0	112.7	Q570 I571 E572 N597 N621	Q570-K595 HydrophobicContact CB-CD 4.42Å; I571-K595 CarbonylContact O-C 3.2Å; I571-K595 VanDerWaalsContact O-C 3.23Å; I571-K595 WeakPolarHBondContact O-CA 3.42Å; I571-K595 PolarHBondContact O-N 2.89Å; E572-K595 HydrophobicContact CG-CB 3.56Å; E572-K595 HydrophobicContact CG-CD 3.67Å; E572-K595 HydrophobicContact CG-CG 4.31Å; E572-K595 WeakPolarHBondContact OE1-CD 3.48Å; E572-K595 WeakPolarHBondContact OE1-CE 3.45Å; E572-K595 IonicContact OE1-NZ 2.66Å; E572-K595 PolarHBondContact OE1-NZ 3.17Å; K595-N597 PolarHBondContact O-N 2.74Å; K595-N621 PolarHBondContact N-OD1 3.39Å
596	L	97.3	Very high	94	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.169	C	C	.	.			trans	-60.3	127.6	-175.8	-70.1	169.1	0	0	0	110.7	I571 I574 L591 I601 L618 N621 E622 L623	I571-L596 HydrophobicContact CG2-CD2 3.84Å; I571-L596 HydrophobicContact CG2-CG 4.32Å; I571-L596 PolarHBondContact O-N 2.67Å; I574-L596 HydrophobicContact CD1-CD1 4.13Å; I574-L596 HydrophobicContact CD1-CD2 4.43Å; I574-L596 HydrophobicContact CG1-CD1 4.27Å; I574-L596 HydrophobicContact CG1-CD2 3.77Å; L591-L596 HydrophobicContact CB-CD1 4.08Å; L591-L596 HydrophobicContact CD1-CD1 4.1Å; L591-L596 HydrophobicContact CD2-CD1 4.44Å; L591-L596 HydrophobicContact CG-CD1 4.45Å; L596-I601 HydrophobicContact CB-CD1 4.45Å; L596-I601 HydrophobicContact CD1-CD1 4.44Å; L596-I601 HydrophobicContact CD2-CG1 4.24Å; L596-L618 HydrophobicContact CD1-CD2 3.63Å; L596-N621 HydrophobicContact CB-CB 4.18Å; L596-N621 VanDerWaalsContact CB-OD1 3.3Å; L596-N621 WeakPolarHBondContact CB-OD1 3.41Å; L596-N621 PolarHBondContact N-OD1 3.44Å; L596-E622 CarbonylContact O-C 3.21Å; L596-E622 VanDerWaalsContact O-CA 3.3Å; L596-E622 WeakPolarHBondContact O-CA 3.37Å; L596-E622 WeakPolarHBondContact O-CB 3.42Å; L596-E622 PolarHBondContact O-N 3.04Å; L596-L623 HydrophobicContact CB-CD2 4.31Å; L596-L623 WeakPolarHBondContact O-CD2 3.18Å; L596-L623 PolarHBondContact O-N 3.1Å
597	N	95.3	Very high	93.4	Very high	38 Å²	38	38.1 Å²	38.1	20%	0.203	19%	0.19	C	C	.	.			trans	-122.2	167.8	174.1	68.4	80.9	0	0	0	109.3	K595 D599 G600 I601 E622	K595-N597 PolarHBondContact O-N 2.74Å; N597-D599 PolarHBondContact O-N 3.1Å; N597-D599 WeakPolarHBondContact OD1-CB 3.27Å; N597-D599 PolarHBondContact OD1-N 2.66Å; N597-D599 PolarHBondContact OD1-OD2 2.8Å; N597-G600 WeakPolarHBondContact O-CA 3.33Å; N597-G600 PolarHBondContact O-N 3.45Å; N597-G600 PolarHBondContact OD1-N 2.58Å; N597-I601 PolarHBondContact O-N 3.21Å; N597-E622 HydrophobicContact CB-CB 4.01Å
598	D	92.3	Very high	92.7	Very high	42 Å²	42	37.3 Å²	37.3	23%	0.225	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-54.6	-38.4	-175.1	-54.1	43.2	0	0	0	112.8	G600 K624 S625	D598-G600 PolarHBondContact O-N 2.94Å; D598-K624 HydrophobicContact CB-CD 4.49Å; D598-K624 WeakPolarHBondContact OD1-CA 3.49Å; D598-K624 VanDerWaalsContact OD1-CB 3.27Å; D598-K624 WeakPolarHBondContact OD1-CB 3.25Å; D598-K624 WeakPolarHBondContact OD1-CD 3.45Å; D598-K624 WeakPolarHBondContact OD1-CG 3.41Å; D598-K624 PolarHBondContact OD1-N 3.14Å; D598-K624 WeakPolarHBondContact OD2-CB 3.18Å; D598-S625 VanDerWaalsContact OD2-CB 3.26Å; D598-S625 WeakPolarHBondContact OD2-CB 3.42Å; D598-S625 PolarHBondContact OD2-N 3.22Å; D598-S625 PolarHBondContact OD2-OG 3.12Å
599	D	91	Very high	92.3	Very high	128 Å²	128	35 Å²	35	68%	0.684	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-79.3	-9.7	-177	-35.3	-64.6	0	0	0	111.4	N597 K624	N597-D599 PolarHBondContact O-N 3.1Å; N597-D599 WeakPolarHBondContact OD1-CB 3.27Å; N597-D599 PolarHBondContact OD1-N 2.66Å; N597-D599 PolarHBondContact OD1-OD2 2.8Å; D599-K624 IonicContact OD1-NZ 3.23Å; D599-K624 IonicContact OD2-NZ 3.7Å; D599-K624 PolarHBondContact OD2-NZ 3.25Å
600	G	88.8	Confident	91.9	Very high	5 Å²	5	36.4 Å²	36.4	5%	0.052	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-99.4	-6.1	178	0	0	0	0	0	114.9	E572 R573 I574 N597 D598	E572-G600 WeakPolarHBondContact O-CA 3.43Å; R573-G600 CarbonylContact C-O 3.49Å; R573-G600 WeakPolarHBondContact CA-O 3.5Å; R573-G600 WeakPolarHBondContact CG-O 3.26Å; I574-G600 PolarHBondContact N-O 2.95Å; N597-G600 WeakPolarHBondContact O-CA 3.33Å; N597-G600 PolarHBondContact O-N 3.45Å; N597-G600 PolarHBondContact OD1-N 2.58Å; D598-G600 PolarHBondContact O-N 2.94Å
601	I	93.4	Very high	91.3	Very high	13 Å²	13	40.8 Å²	40.8	7%	0.067	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-108.4	110.3	173	-58.8	179.8	0	0	0	108.3	I574 L596 N597 F606 L623 P627	I574-I601 HydrophobicContact CD1-CD1 4.1Å; I574-I601 HydrophobicContact CD1-CG1 3.96Å; I574-I601 HydrophobicContact CD1-CG2 4.29Å; I574-I601 HydrophobicContact CG1-CG1 4.16Å; L596-I601 HydrophobicContact CB-CD1 4.45Å; L596-I601 HydrophobicContact CD1-CD1 4.44Å; L596-I601 HydrophobicContact CD2-CG1 4.24Å; N597-I601 PolarHBondContact O-N 3.21Å; I601-F606 HydrophobicContact CG2-CE2 3.87Å; I601-F606 HydrophobicContact CG2-CZ 4.39Å; I601-L623 HydrophobicContact CD1-CD2 3.8Å; I601-P627 HydrophobicContact CD1-CB 4.17Å; I601-P627 HydrophobicContact CD1-CG 3.78Å; I601-P627 HydrophobicContact CG2-CB 4.27Å
602	D	88.7	Confident	91.1	Very high	43 Å²	43	41.1 Å²	41.1	23%	0.23	21%	0.214	C	C	.	.			trans	-64.3	135.8	177.6	-154	-68.3	0	0	0	109.9	R573 V604 S605	R573-D602 IonicContact NH2-OD2 2.74Å; R573-D602 PolarHBondContact NH2-OD2 3.43Å; D602-V604 PolarHBondContact O-N 2.82Å; D602-V604 WeakPolarHBondContact OD1-CG2 3.23Å; D602-S605 VanDerWaalsContact CB-OG 3.26Å; D602-S605 WeakPolarHBondContact CB-OG 3.27Å; D602-S605 PolarHBondContact N-OG 2.89Å; D602-S605 VanDerWaalsContact O-CB 3.25Å; D602-S605 WeakPolarHBondContact O-CB 3.44Å; D602-S605 PolarHBondContact O-N 3.22Å; D602-S605 PolarHBondContact O-OG 3.44Å
603	P	84.6	Confident	90.9	Very high	67 Å²	67	40.9 Å²	40.9	44%	0.435	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-24.5	-178.8	-28.6	36.4	0	0	0	114.5	F628	P603-F628 HydrophobicContact CB-CB 4.36Å; P603-F628 HydrophobicContact CB-CD2 4.26Å; P603-F628 HydrophobicContact CB-CG 4.18Å; P603-F628 HydrophobicContact CG-CD2 4.23Å; P603-F628 HydrophobicContact CG-CE2 4.41Å
604	V	83.8	Confident	90.8	Very high	42 Å²	42	39.7 Å²	39.7	26%	0.255	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.1	12.8	176.4	-57.1	0	0	0	0	113.7	Y577 D602 F606 F607	Y577-V604 HydrophobicContact CD1-CB 4.31Å; Y577-V604 HydrophobicContact CD1-CG2 4.26Å; Y577-V604 HydrophobicContact CD2-CG2 3.77Å; Y577-V604 HydrophobicContact CE1-CB 3.89Å; Y577-V604 HydrophobicContact CE1-CG1 4.42Å; Y577-V604 HydrophobicContact CE1-CG2 3.99Å; Y577-V604 HydrophobicContact CE2-CB 4.27Å; Y577-V604 HydrophobicContact CE2-CG2 3.47Å; Y577-V604 VanDerWaalsContact CE2-CG2 3.47Å; Y577-V604 HydrophobicContact CG-CG2 4.15Å; Y577-V604 PolarHBondContact N-O 2.68Å; D602-V604 PolarHBondContact O-N 2.82Å; D602-V604 WeakPolarHBondContact OD1-CG2 3.23Å; V604-F606 VanDerWaalsContact C-N 3.31Å; V604-F606 PolarHBondContact O-N 2.82Å; V604-F607 VanDerWaalsContact O-CB 3.25Å; V604-F607 WeakPolarHBondContact O-CB 3.4Å; V604-F607 PolarHBondContact O-N 3.2Å
605	S	87.4	Confident	90.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-42.6	177.4	-83.5	0	0	0	0	113.7	I574 P575 F579 D602 F607	I574-S605 WeakPolarHBondContact CB-OG 3.34Å; I574-S605 WeakPolarHBondContact CG2-OG 3.41Å; I574-S605 PolarHBondContact O-OG 3.43Å; P575-S605 WeakPolarHBondContact O-CA 3.47Å; P575-S605 WeakPolarHBondContact O-CB 3.48Å; P575-S605 PolarHBondContact O-OG 3.44Å; F579-S605 VanDerWaalsContact CD2-O 3.28Å; F579-S605 WeakPolarHBondContact CD2-O 3.5Å; D602-S605 VanDerWaalsContact CB-OG 3.26Å; D602-S605 WeakPolarHBondContact CB-OG 3.27Å; D602-S605 PolarHBondContact N-OG 2.89Å; D602-S605 VanDerWaalsContact O-CB 3.25Å; D602-S605 WeakPolarHBondContact O-CB 3.44Å; D602-S605 PolarHBondContact O-N 3.22Å; D602-S605 PolarHBondContact O-OG 3.44Å; S605-F607 VanDerWaalsContact C-N 3.29Å; S605-F607 PolarHBondContact O-N 3.45Å
606	F	91.1	Very high	90.8	Very high	1 Å²	1	37.4 Å²	37.4	0%	0.004	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	4.5	-176.5	-61.2	-62.3	0	0	0	113.6	I574 F579 L589 I601 V604 G608 A609 Y610 L616 P627 M633	I574-F606 HydrophobicContact CD1-CE1 4.07Å; I574-F606 HydrophobicContact CD1-CZ 3.76Å; F579-F606 HydrophobicContact CD2-CD1 4.4Å; F579-F606 HydrophobicContact CE2-CD1 4.06Å; F579-F606 HydrophobicContact CE2-CE1 4.34Å; L589-F606 HydrophobicContact CD2-CD1 4.33Å; L589-F606 HydrophobicContact CD2-CE1 3.82Å; I601-F606 HydrophobicContact CG2-CE2 3.87Å; I601-F606 HydrophobicContact CG2-CZ 4.39Å; V604-F606 VanDerWaalsContact C-N 3.31Å; V604-F606 PolarHBondContact O-N 2.82Å; F606-G608 PolarHBondContact O-N 3.39Å; F606-A609 WeakPolarHBondContact O-CB 3.43Å; F606-A609 PolarHBondContact O-N 2.93Å; F606-Y610 HydrophobicContact CB-CD1 4.12Å; F606-Y610 HydrophobicContact CB-CE1 3.51Å; F606-Y610 WeakPolarHBondContact O-CD1 3.28Å; F606-Y610 WeakPolarHBondContact O-CE1 3.43Å; F606-L616 HydrophobicContact CE1-CD1 4.31Å; F606-L616 HydrophobicContact CE1-CD2 4.43Å; F606-L616 HydrophobicContact CZ-CD2 4.37Å; F606-P627 HydrophobicContact CE2-CB 4.11Å; F606-M633 HydrophobicContact CB-CE 3.69Å; F606-M633 HydrophobicContact CD1-CE 4.17Å; F606-M633 HydrophobicContact CD2-CE 4.11Å; F606-M633 HydrophobicContact CG-CE 3.73Å
607	F	83.9	Confident	90.9	Very high	103 Å²	103	38 Å²	38	45%	0.452	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	134.7	173.7	-172.4	-86	0	0	0	110.7	Y577 F579 G580 V604 S605 A609 Y610	Y577-F607 HydrophobicContact CD1-CB 3.76Å; Y577-F607 AromaticContact CD1-CD1 3.64Å; Y577-F607 HydrophobicContact CD1-CD1 3.64Å; Y577-F607 HydrophobicContact CD1-CE1 4.39Å; Y577-F607 AromaticContact CD1-CG 3.73Å; Y577-F607 HydrophobicContact CD1-CG 3.73Å; Y577-F607 HydrophobicContact CE1-CB 4.07Å; Y577-F607 AromaticContact CE1-CD1 3.97Å; Y577-F607 HydrophobicContact CE1-CD1 3.97Å; Y577-F607 HydrophobicContact CE1-CD2 4.19Å; Y577-F607 HydrophobicContact CE1-CE1 4.48Å; Y577-F607 AromaticContact CE1-CG 3.81Å; Y577-F607 HydrophobicContact CE1-CG 3.81Å; F579-F607 CarbonylContact C-O 3.52Å; G580-F607 WeakPolarHBondContact CA-O 3.46Å; G580-F607 PolarHBondContact N-O 3.24Å; V604-F607 VanDerWaalsContact O-CB 3.25Å; V604-F607 WeakPolarHBondContact O-CB 3.4Å; V604-F607 PolarHBondContact O-N 3.2Å; S605-F607 VanDerWaalsContact C-N 3.29Å; S605-F607 PolarHBondContact O-N 3.45Å; F607-A609 VanDerWaalsContact C-N 3.31Å; F607-A609 PolarHBondContact O-N 3.18Å; F607-Y610 HydrophobicContact CB-CE2 4.49Å; F607-Y610 HydrophobicContact CD2-CE2 4.31Å
608	G	83.3	Confident	91	Very high	25 Å²	25	36.2 Å²	36.2	26%	0.258	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-33.3	-169.6	0	0	0	0	0	114	F606	F606-G608 PolarHBondContact O-N 3.39Å
609	A	89.4	Confident	91.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-20.2	-179.5	0	0	0	0	0	114.1	F579 F606 F607 H611 S612 L613	F579-A609 HydrophobicContact CB-CB 4.36Å; F579-A609 HydrophobicContact CD2-CB 4.45Å; F606-A609 WeakPolarHBondContact O-CB 3.43Å; F606-A609 PolarHBondContact O-N 2.93Å; F607-A609 VanDerWaalsContact C-N 3.31Å; F607-A609 PolarHBondContact O-N 3.18Å; A609-H611 PolarHBondContact O-N 3.21Å; A609-H611 VanDerWaalsContact O-N 3.09Å; A609-S612 PolarHBondContact O-N 3.04Å; A609-S612 PolarHBondContact O-OG 2.61Å; A609-S612 VanDerWaalsContact O-OG 3.12Å; A609-L613 WeakPolarHBondContact O-CB 3.21Å; A609-L613 PolarHBondContact O-N 3.22Å
610	Y	88.9	Confident	91.7	Very high	29 Å²	29	31.7 Å²	31.7	11%	0.114	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	-39.5	-177.3	-56.9	-37.2	0	0	0	114.1	F606 F607 G629 E632 M633	F606-Y610 HydrophobicContact CB-CD1 4.12Å; F606-Y610 HydrophobicContact CB-CE1 3.51Å; F606-Y610 WeakPolarHBondContact O-CD1 3.28Å; F606-Y610 WeakPolarHBondContact O-CE1 3.43Å; F607-Y610 HydrophobicContact CB-CE2 4.49Å; F607-Y610 HydrophobicContact CD2-CE2 4.31Å; Y610-G629 WeakPolarHBondContact CD1-O 3.19Å; Y610-G629 WeakPolarHBondContact CE1-O 3.37Å; Y610-E632 HydrophobicContact CD1-CB 3.65Å; Y610-E632 HydrophobicContact CD1-CG 4.28Å; Y610-E632 HydrophobicContact CD2-CB 3.94Å; Y610-E632 HydrophobicContact CD2-CG 4.18Å; Y610-E632 HydrophobicContact CE1-CB 4.08Å; Y610-E632 HydrophobicContact CE1-CG 4.21Å; Y610-E632 HydrophobicContact CE2-CB 4.34Å; Y610-E632 HydrophobicContact CE2-CG 4.12Å; Y610-E632 HydrophobicContact CG-CB 3.59Å; Y610-E632 HydrophobicContact CG-CG 4.27Å; Y610-M633 HydrophobicContact CD1-CE 4.09Å; Y610-M633 HydrophobicContact CD1-CG 4.14Å; Y610-M633 HydrophobicContact CE1-CE 4.29Å; Y610-M633 WeakPolarHBondContact O-CA 3.41Å
611	H	87.5	Confident	92.1	Very high	137 Å²	137	31.8 Å²	31.8	63%	0.634	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.3	0	-175.7	-56.7	105	0	0	0	114.2	A609 K635	A609-H611 PolarHBondContact O-N 3.21Å; A609-H611 VanDerWaalsContact O-N 3.09Å; H611-K635 VanDerWaalsContact O-CD 3.25Å; H611-K635 WeakPolarHBondContact O-CD 3.27Å; H611-K635 WeakPolarHBondContact O-CE 3.45Å; H611-K635 PolarHBondContact O-NZ 3.33Å
612	S	93.3	Very high	92.3	Very high	7 Å²	7	35.2 Å²	35.2	5%	0.049	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.4	-34.2	-175.1	56.7	0	0	0	0	113.7	G585 L586 A609 R614	G585-S612 VanDerWaalsContact C-OG 3.23Å; L586-S612 PolarHBondContact N-OG 2.84Å; L586-S612 CarbonylContact O-C 3.48Å; L586-S612 VanDerWaalsContact O-CB 3.27Å; L586-S612 WeakPolarHBondContact O-CB 3.49Å; L586-S612 PolarHBondContact O-OG 3.12Å; A609-S612 PolarHBondContact O-N 3.04Å; A609-S612 PolarHBondContact O-OG 2.61Å; A609-S612 VanDerWaalsContact O-OG 3.12Å; S612-R614 PolarHBondContact O-N 3.2Å
613	L	95.5	Very high	92.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.			trans	-65.7	130.8	-167.5	-155	70	0	0	0	112.8	L586 L589 A609 L616 M633 K635 L636	L586-L613 HydrophobicContact CB-CD1 4.45Å; L586-L613 HydrophobicContact CD2-CD1 4.33Å; L586-L613 HydrophobicContact CG-CD1 4.34Å; L586-L613 WeakPolarHBondContact O-CA 3.39Å; L586-L613 WeakPolarHBondContact O-CD1 3.19Å; L586-L613 PolarHBondContact O-N 3.41Å; L589-L613 HydrophobicContact CB-CD1 3.91Å; A609-L613 WeakPolarHBondContact O-CB 3.21Å; A609-L613 PolarHBondContact O-N 3.22Å; L613-L616 HydrophobicContact CD2-CB 3.85Å; L613-L616 HydrophobicContact CD2-CD1 4.28Å; L613-L616 HydrophobicContact CD2-CD2 4.09Å; L613-L616 HydrophobicContact CD2-CG 4.29Å; L613-M633 HydrophobicContact CB-SD 4.46Å; L613-M633 HydrophobicContact CD2-CE 4.1Å; L613-M633 HydrophobicContact CD2-SD 3.74Å; L613-K635 CarbonylContact O-C 3.54Å; L613-L636 HydrophobicContact CD2-CD1 4.43Å; L613-L636 HydrophobicContact CG-CD1 4.4Å; L613-L636 WeakPolarHBondContact O-CA 3.25Å; L613-L636 PolarHBondContact O-N 3.09Å; L613-L636 VanDerWaalsContact O-N 3.17Å
614	R	95.9	Very high	93.2	Very high	73 Å²	73	33.8 Å²	33.8	28%	0.275	16%	0.162	S	C	.	.			trans	-112	-39	-179.6	-55.4	-173.8	-171.6	-80.5	-0.3	112.4	E587 S612 R637 F638	E587-R614 HydrophobicContact CB-CG 4.3Å; E587-R614 WeakPolarHBondContact O-CB 3.42Å; E587-R614 PolarHBondContact O-N 2.95Å; E587-R614 IonicContact OE1-CZ 3.99Å; E587-R614 VanDerWaalsContact OE1-CZ 3.25Å; E587-R614 IonicContact OE1-NE 2.83Å; E587-R614 PolarHBondContact OE1-NE 3.11Å; E587-R614 VanDerWaalsContact OE1-NE 3.1Å; E587-R614 IonicContact OE1-NH2 2.65Å; E587-R614 PolarHBondContact OE1-NH2 3.08Å; E587-R614 WeakPolarHBondContact OE2-CD 3.32Å; E587-R614 IonicContact OE2-CZ 3.04Å; E587-R614 IonicContact OE2-NE 3.84Å; E587-R614 PolarHBondContact OE2-NE 3.04Å; E587-R614 IonicContact OE2-NH2 3.97Å; S612-R614 PolarHBondContact O-N 3.2Å; R614-R637 PolarHBondContact O-N 3.01Å; R614-F638 PolarHBondContact O-N 3.2Å; R614-F638 VanDerWaalsContact O-N 3.14Å
615	E	97.9	Very high	93.7	Very high	32 Å²	32	33.1 Å²	33.1	15%	0.15	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124.7	178.9	-53.6	-161.2	-150.9	0	0	110.9	E587 Y588 L589 Y590 F617 F638	E587-E615 PolarHBondContact O-N 2.95Å; Y588-E615 HydrophobicContact CD1-CB 3.78Å; Y588-E615 HydrophobicContact CD1-CG 3.65Å; Y588-E615 HydrophobicContact CE1-CB 4.44Å; Y588-E615 HydrophobicContact CE1-CG 3.8Å; Y588-E615 WeakPolarHBondContact CE1-OE1 3.44Å; L589-E615 PolarHBondContact N-O 3.39Å; Y590-E615 HydrophobicContact CE1-CB 3.9Å; E615-F617 HydrophobicContact CB-CE1 4.22Å; E615-F617 HydrophobicContact CB-CZ 4.46Å; E615-F617 WeakPolarHBondContact OE2-CZ 3.26Å; E615-F638 WeakPolarHBondContact CA-O 3.33Å; E615-F638 HydrophobicContact CB-CB 4.19Å; E615-F638 HydrophobicContact CG-CB 3.93Å; E615-F638 HydrophobicContact CG-CD2 3.76Å; E615-F638 HydrophobicContact CG-CG 4.13Å
616	L	98.1	Very high	94.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	110.6	177.2	178.6	54.6	0	0	0	109.8	L589 F606 L613 L618 I630 M633 L636 F638 L639 R640	L589-L616 HydrophobicContact CB-CD1 4.01Å; L589-L616 HydrophobicContact CD2-CD1 3.94Å; L589-L616 HydrophobicContact CG-CD1 3.94Å; L589-L616 WeakPolarHBondContact O-CA 3.13Å; F606-L616 HydrophobicContact CE1-CD1 4.31Å; F606-L616 HydrophobicContact CE1-CD2 4.43Å; F606-L616 HydrophobicContact CZ-CD2 4.37Å; L613-L616 HydrophobicContact CD2-CB 3.85Å; L613-L616 HydrophobicContact CD2-CD1 4.28Å; L613-L616 HydrophobicContact CD2-CD2 4.09Å; L613-L616 HydrophobicContact CD2-CG 4.29Å; L616-L618 HydrophobicContact CD1-CD1 4.11Å; L616-L618 HydrophobicContact CD1-CG 4.01Å; L616-L618 HydrophobicContact CD2-CD1 3.98Å; L616-L618 HydrophobicContact CG-CD1 3.95Å; L616-L618 HydrophobicContact CG-CG 4.19Å; L616-I630 HydrophobicContact CD2-CD1 3.5Å; L616-I630 VanDerWaalsContact CD2-CD1 3.5Å; L616-M633 HydrophobicContact CD2-CE 4.21Å; L616-M633 HydrophobicContact CD2-SD 4.23Å; L616-L636 HydrophobicContact CB-CD1 3.9Å; L616-F638 PolarHBondContact N-O 2.85Å; L616-L639 HydrophobicContact CB-CD1 4.3Å; L616-L639 HydrophobicContact CD2-CD1 4.19Å; L616-L639 HydrophobicContact CG-CD1 4.26Å; L616-L639 WeakPolarHBondContact O-CA 3.42Å; L616-R640 PolarHBondContact O-N 3.19Å
617	F	98.6	Very high	94.2	Very high	13 Å²	13	33.5 Å²	33.5	6%	0.057	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117.6	175.9	-55.3	-17.9	0	0	0	110.8	L589 Y590 L591 S592 E615 F638 R640	L589-F617 PolarHBondContact O-N 2.99Å; Y590-F617 HydrophobicContact CD1-CB 4.06Å; Y590-F617 HydrophobicContact CD1-CD1 4.33Å; Y590-F617 AromaticContact CD1-CD2 3.18Å; Y590-F617 HydrophobicContact CD1-CD2 3.18Å; Y590-F617 AromaticContact CD1-CE2 3.51Å; Y590-F617 HydrophobicContact CD1-CE2 3.51Å; Y590-F617 AromaticContact CD1-CG 3.62Å; Y590-F617 HydrophobicContact CD1-CG 3.62Å; Y590-F617 HydrophobicContact CD1-CZ 4.21Å; Y590-F617 HydrophobicContact CE1-CD1 4.36Å; Y590-F617 AromaticContact CE1-CD2 3.46Å; Y590-F617 HydrophobicContact CE1-CD2 3.46Å; Y590-F617 VanDerWaalsContact CE1-CD2 3.46Å; Y590-F617 HydrophobicContact CE1-CE1 4.17Å; Y590-F617 AromaticContact CE1-CE2 3.23Å; Y590-F617 HydrophobicContact CE1-CE2 3.23Å; Y590-F617 HydrophobicContact CE1-CG 4.01Å; Y590-F617 AromaticContact CE1-CZ 3.61Å; Y590-F617 HydrophobicContact CE1-CZ 3.61Å; Y590-F617 HydrophobicContact CE2-CE2 4.43Å; Y590-F617 AromaticContact CG-CD2 3.81Å; Y590-F617 HydrophobicContact CG-CD2 3.81Å; Y590-F617 HydrophobicContact CG-CE2 4.22Å; Y590-F617 HydrophobicContact CG-CG 4.5Å; Y590-F617 AromaticContact CZ-CE2 3.75Å; L591-F617 CarbonylContact C-O 3.14Å; L591-F617 WeakPolarHBondContact CA-O 3.35Å; L591-F617 WeakPolarHBondContact CB-O 3.35Å; L591-F617 PolarHBondContact N-O 2.89Å; S592-F617 PolarHBondContact N-O 3.05Å; S592-F617 VanDerWaalsContact OG-CB 3.25Å; S592-F617 WeakPolarHBondContact OG-CB 3.38Å; E615-F617 HydrophobicContact CB-CE1 4.22Å; E615-F617 HydrophobicContact CB-CZ 4.46Å; E615-F617 WeakPolarHBondContact OE2-CZ 3.26Å; F617-F638 HydrophobicContact CE1-CB 3.99Å; F617-R640 HydrophobicContact CB-CB 4.27Å; F617-R640 HydrophobicContact CD1-CB 3.86Å; F617-R640 HydrophobicContact CD1-CG 3.55Å; F617-R640 HydrophobicContact CE1-CG 3.94Å; F617-R640 HydrophobicContact CG-CB 4.29Å; F617-R640 HydrophobicContact CG-CG 4.26Å
618	L	98.3	Very high	94.5	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.161	C	C	.	.			trans	-124.2	17.6	177.8	-70.8	163.3	0	0	0	110.6	L591 L596 L616 N621 L623 P627 R640 L641 N644	L591-L618 HydrophobicContact CB-CD2 3.9Å; L591-L618 HydrophobicContact CD1-CD2 3.92Å; L596-L618 HydrophobicContact CD1-CD2 3.63Å; L616-L618 HydrophobicContact CD1-CD1 4.11Å; L616-L618 HydrophobicContact CD1-CG 4.01Å; L616-L618 HydrophobicContact CD2-CD1 3.98Å; L616-L618 HydrophobicContact CG-CD1 3.95Å; L616-L618 HydrophobicContact CG-CG 4.19Å; L618-N621 PolarHBondContact O-ND2 3.18Å; L618-N621 VanDerWaalsContact O-ND2 3.1Å; L618-L623 HydrophobicContact CB-CD1 4.18Å; L618-P627 HydrophobicContact CD1-CG 3.95Å; L618-R640 CarbonylContact C-O 3.5Å; L618-R640 WeakPolarHBondContact CA-O 2.98Å; L618-R640 PolarHBondContact N-O 3.48Å; L618-L641 HydrophobicContact CB-CD2 3.88Å; L618-L641 HydrophobicContact CD1-CD2 4.03Å; L618-N644 PolarHBondContact O-ND2 2.89Å
619	D	98.4	Very high	94.7	Very high	11 Å²	11	32.4 Å²	32.4	6%	0.059	15%	0.15	C	C	.	.			trans	-69.3	155.5	-177.5	65.8	-80.8	0	0	0	113	S592 F593 N621 R640 N642	S592-D619 CarbonylContact C-O 3.37Å; S592-D619 WeakPolarHBondContact CA-O 3.34Å; S592-D619 VanDerWaalsContact CB-OD1 3.29Å; S592-D619 WeakPolarHBondContact CB-OD1 3.3Å; S592-D619 PolarHBondContact OG-OD1 3.41Å; F593-D619 PolarHBondContact N-O 3.37Å; D619-N621 VanDerWaalsContact C-N 3.34Å; D619-N621 PolarHBondContact O-N 3.33Å; D619-N621 PolarHBondContact O-ND2 2.95Å; D619-N621 VanDerWaalsContact O-ND2 3.15Å; D619-R640 HydrophobicContact CB-CB 4.12Å; D619-R640 PolarHBondContact N-O 3.41Å; D619-N642 VanDerWaalsContact CA-O 3.24Å; D619-N642 WeakPolarHBondContact CA-O 3.48Å; D619-N642 WeakPolarHBondContact CB-O 3.4Å; D619-N642 WeakPolarHBondContact CB-OD1 3.5Å
620	H	98.3	Very high	94.8	Very high	64 Å²	64	32.7 Å²	32.7	30%	0.296	15%	0.151	S	C	.	.	S	Bend	trans	54.3	46.2	-175.3	-55.8	87.7	0	0	0	113.3	F593 N594 N642 N643	F593-H620 WeakPolarHBondContact CA-O 3.35Å; F593-H620 HydrophobicContact CB-CB 4.47Å; F593-H620 HydrophobicContact CD1-CB 3.62Å; F593-H620 AromaticContact CD1-CG 3.78Å; F593-H620 HydrophobicContact CD2-CB 4.35Å; F593-H620 HydrophobicContact CE1-CB 3.85Å; F593-H620 AromaticContact CE1-CD2 3.49Å; F593-H620 VanDerWaalsContact CE1-CD2 3.49Å; F593-H620 WeakPolarHBondContact CE1-CD2 3.36Å; F593-H620 AromaticContact CE1-CE1 3.89Å; F593-H620 AromaticContact CE1-CG 3.43Å; F593-H620 VanDerWaalsContact CE1-CG 3.43Å; F593-H620 AromaticContact CE1-ND1 3.7Å; F593-H620 AromaticContact CE1-NE2 3.81Å; F593-H620 AromaticContact CE2-ND1 3.64Å; F593-H620 HydrophobicContact CG-CB 3.89Å; F593-H620 HydrophobicContact CZ-CB 4.3Å; F593-H620 AromaticContact CZ-CD2 3.86Å; F593-H620 AromaticContact CZ-CE1 3.41Å; F593-H620 VanDerWaalsContact CZ-CE1 3.41Å; F593-H620 WeakPolarHBondContact CZ-CE1 3.11Å; F593-H620 AromaticContact CZ-CG 3.63Å; F593-H620 AromaticContact CZ-ND1 3.34Å; F593-H620 VanDerWaalsContact CZ-ND1 3.34Å; F593-H620 WeakPolarHBondContact CZ-ND1 3.31Å; F593-H620 AromaticContact CZ-NE2 3.76Å; N594-H620 PolarHBondContact N-O 3.11Å; H620-N642 PolarHBondContact N-O 3.32Å; H620-N643 HydrophobicContact CB-CB 4.49Å; H620-N643 VanDerWaalsContact CD2-CB 3.45Å; H620-N643 WeakPolarHBondContact CD2-CB 3.3Å; H620-N643 PolarHBondContact CE1-ND2 2.76Å; H620-N643 VanDerWaalsContact CE1-ND2 3.26Å; H620-N643 VanDerWaalsContact NE2-CG 3.32Å; H620-N643 PolarHBondContact NE2-ND2 3.01Å
621	N	98.4	Very high	94.8	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.043	16%	0.155	C	C	.	.	S	Bend	trans	-115.8	-168.2	171.1	-82.8	-88.3	0	0	0	110.6	L591 N594 K595 L596 L618 D619 L623 N644	L591-N621 PolarHBondContact O-ND2 2.7Å; N594-N621 VanDerWaalsContact CA-OD1 3.31Å; N594-N621 WeakPolarHBondContact CA-OD1 2.97Å; N594-N621 WeakPolarHBondContact CB-OD1 3.24Å; N594-N621 PolarHBondContact O-OD1 2.7Å; K595-N621 PolarHBondContact N-OD1 3.39Å; L596-N621 HydrophobicContact CB-CB 4.18Å; L596-N621 VanDerWaalsContact CB-OD1 3.3Å; L596-N621 WeakPolarHBondContact CB-OD1 3.41Å; L596-N621 PolarHBondContact N-OD1 3.44Å; L618-N621 PolarHBondContact O-ND2 3.18Å; L618-N621 VanDerWaalsContact O-ND2 3.1Å; D619-N621 VanDerWaalsContact C-N 3.34Å; D619-N621 PolarHBondContact O-N 3.33Å; D619-N621 PolarHBondContact O-ND2 2.95Å; D619-N621 VanDerWaalsContact O-ND2 3.15Å; N621-L623 HydrophobicContact CB-CG 4.38Å; N621-N644 VanDerWaalsContact CA-OD1 3.23Å; N621-N644 WeakPolarHBondContact CA-OD1 3.29Å; N621-N644 WeakPolarHBondContact CB-OD1 3.41Å; N621-N644 PolarHBondContact N-OD1 3.33Å; N621-N644 PolarHBondContact O-OD1 2.77Å; N621-N644 VanDerWaalsContact O-OD1 3.13Å
622	E	97.4	Very high	94.8	Very high	84 Å²	84	29.6 Å²	29.6	39%	0.393	14%	0.139	S	C	.	.			trans	-99.6	3.1	-175.5	-63.9	-103	125.3	0	0	113.9	L596 N597 K624 N644 K645	L596-E622 CarbonylContact O-C 3.21Å; L596-E622 VanDerWaalsContact O-CA 3.3Å; L596-E622 WeakPolarHBondContact O-CA 3.37Å; L596-E622 WeakPolarHBondContact O-CB 3.42Å; L596-E622 PolarHBondContact O-N 3.04Å; N597-E622 HydrophobicContact CB-CB 4.01Å; E622-K624 PolarHBondContact O-N 3.16Å; E622-N644 PolarHBondContact N-OD1 2.97Å; E622-K645 VanDerWaalsContact OE1-CE 3.24Å; E622-K645 WeakPolarHBondContact OE1-CE 3.25Å; E622-K645 IonicContact OE1-NZ 2.85Å; E622-K645 PolarHBondContact OE1-NZ 3.29Å; E622-K645 IonicContact OE2-NZ 3.3Å; E622-K645 PolarHBondContact OE2-NZ 2.97Å
623	L	97.3	Very high	94.6	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.01	14%	0.137	C	C	.	.			trans	-57.3	130.7	-169.4	-57.7	172.5	0	0	0	113.2	L596 I601 L618 N621 P627 L641 N644 K645 I646	L596-L623 HydrophobicContact CB-CD2 4.31Å; L596-L623 WeakPolarHBondContact O-CD2 3.18Å; L596-L623 PolarHBondContact O-N 3.1Å; I601-L623 HydrophobicContact CD1-CD2 3.8Å; L618-L623 HydrophobicContact CB-CD1 4.18Å; N621-L623 HydrophobicContact CB-CG 4.38Å; L623-P627 HydrophobicContact CD1-CG 4.17Å; L623-L641 HydrophobicContact CD1-CD2 3.82Å; L623-N644 HydrophobicContact CB-CB 4.25Å; L623-N644 WeakPolarHBondContact CB-OD1 3.36Å; L623-N644 WeakPolarHBondContact CG-OD1 3.11Å; L623-N644 PolarHBondContact N-OD1 2.86Å; L623-N644 VanDerWaalsContact N-OD1 3.12Å; L623-K645 CarbonylContact O-C 3.23Å; L623-K645 WeakPolarHBondContact O-CA 3.47Å; L623-K645 WeakPolarHBondContact O-CB 3.48Å; L623-K645 PolarHBondContact O-N 3.03Å; L623-I646 HydrophobicContact CB-CG1 4.22Å; L623-I646 VanDerWaalsContact O-CG1 3.32Å; L623-I646 WeakPolarHBondContact O-CG1 3.16Å; L623-I646 PolarHBondContact O-N 3.15Å
624	K	95.3	Very high	94	Very high	79 Å²	79	35.3 Å²	35.3	34%	0.343	16%	0.162	S	C	.	.	S	Bend	trans	-97.5	-24.1	179.9	-39.1	153.5	-157	156.3	0	111.5	D598 D599 E622 I646 R647	D598-K624 HydrophobicContact CB-CD 4.49Å; D598-K624 WeakPolarHBondContact OD1-CA 3.49Å; D598-K624 VanDerWaalsContact OD1-CB 3.27Å; D598-K624 WeakPolarHBondContact OD1-CB 3.25Å; D598-K624 WeakPolarHBondContact OD1-CD 3.45Å; D598-K624 WeakPolarHBondContact OD1-CG 3.41Å; D598-K624 PolarHBondContact OD1-N 3.14Å; D598-K624 WeakPolarHBondContact OD2-CB 3.18Å; D599-K624 IonicContact OD1-NZ 3.23Å; D599-K624 IonicContact OD2-NZ 3.7Å; D599-K624 PolarHBondContact OD2-NZ 3.25Å; E622-K624 PolarHBondContact O-N 3.16Å; K624-I646 CarbonylContact O-C 3.41Å; K624-I646 VanDerWaalsContact O-CA 3.29Å; K624-I646 WeakPolarHBondContact O-CA 3.45Å; K624-R647 PolarHBondContact O-N 2.82Å
625	S	94.1	Very high	93.8	Very high	28 Å²	28	36.6 Å²	36.6	20%	0.196	17%	0.17	C	C	.	.	S	Bend	trans	-132.3	178.8	172.5	68.4	0	0	0	0	111	D598	D598-S625 VanDerWaalsContact OD2-CB 3.26Å; D598-S625 WeakPolarHBondContact OD2-CB 3.42Å; D598-S625 PolarHBondContact OD2-N 3.22Å; D598-S625 PolarHBondContact OD2-OG 3.12Å
626	V	94.8	Very high	93.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	16%	0.163	C	C	.	.	P	Polyproline II helix	trans	-83.9	139.1	171.1	177.8	0	0	0	0	108.7	I630 L641 I646 V649 R653 I654	V626-I630 HydrophobicContact CG1-CG1 4.19Å; V626-L641 HydrophobicContact CG1-CD1 3.93Å; V626-L641 HydrophobicContact CG2-CD1 4.14Å; V626-I646 HydrophobicContact CG2-CD1 4.39Å; V626-V649 HydrophobicContact CG2-CG1 4.26Å; V626-V649 HydrophobicContact CG2-CG2 4.11Å; V626-R653 HydrophobicContact CB-CG 3.87Å; V626-R653 HydrophobicContact CG1-CG 4.07Å; V626-R653 VanDerWaalsContact O-CZ 3.29Å; V626-R653 PolarHBondContact O-NE 2.03Å; V626-R653 PolarHBondContact O-NH2 3.3Å; V626-I654 HydrophobicContact CG1-CG1 4.15Å
627	P	93.4	Very high	93.3	Very high	8 Å²	8	38.6 Å²	38.6	5%	0.052	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-61.8	161.3	179.6	-23.1	34.9	0	0	0	113.9	I601 F606 L618 L623 I630 R653	I601-P627 HydrophobicContact CD1-CB 4.17Å; I601-P627 HydrophobicContact CD1-CG 3.78Å; I601-P627 HydrophobicContact CG2-CB 4.27Å; F606-P627 HydrophobicContact CE2-CB 4.11Å; L618-P627 HydrophobicContact CD1-CG 3.95Å; L623-P627 HydrophobicContact CD1-CG 4.17Å; P627-I630 HydrophobicContact CB-CG1 4.44Å; P627-I630 WeakPolarHBondContact O-CG1 3.4Å; P627-R653 VanDerWaalsContact C-NE 3.3Å; P627-R653 WeakPolarHBondContact O-CD 3.14Å; P627-R653 PolarHBondContact O-NE 3.39Å
628	F	89.5	Confident	93.2	Very high	102 Å²	102	40.1 Å²	40.1	45%	0.447	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	157.5	171.2	-71.7	-97.1	0	0	0	111.2	P603 I630 R653	P603-F628 HydrophobicContact CB-CB 4.36Å; P603-F628 HydrophobicContact CB-CD2 4.26Å; P603-F628 HydrophobicContact CB-CG 4.18Å; P603-F628 HydrophobicContact CG-CD2 4.23Å; P603-F628 HydrophobicContact CG-CE2 4.41Å; F628-I630 VanDerWaalsContact C-N 3.29Å; F628-I630 PolarHBondContact O-N 3.44Å; F628-R653 VanDerWaalsContact CG-NH1 3.31Å
629	G	87.9	Confident	93.1	Very high	3 Å²	3	40.1 Å²	40.1	3%	0.031	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	8.4	171	0	0	0	0	0	115	Y610 E631 M633	Y610-G629 WeakPolarHBondContact CD1-O 3.19Å; Y610-G629 WeakPolarHBondContact CE1-O 3.37Å; G629-E631 WeakPolarHBondContact CA-OE1 3.47Å; G629-E631 VanDerWaalsContact N-CD 3.28Å; G629-E631 PolarHBondContact N-OE1 2.89Å; G629-E631 PolarHBondContact N-OE2 2.88Å; G629-M633 WeakPolarHBondContact O-CE 3.38Å; G629-M633 VanDerWaalsContact O-CG 3.31Å; G629-M633 WeakPolarHBondContact O-CG 3.31Å
630	I	91.9	Very high	93.1	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.026	20%	0.195	C	C	.	.	S	Bend	trans	-72.7	-39.3	174	-59.7	-62.3	0	0	0	109.7	L616 V626 P627 F628 E632 M633 L636 L639	L616-I630 HydrophobicContact CD2-CD1 3.5Å; L616-I630 VanDerWaalsContact CD2-CD1 3.5Å; V626-I630 HydrophobicContact CG1-CG1 4.19Å; P627-I630 HydrophobicContact CB-CG1 4.44Å; P627-I630 WeakPolarHBondContact O-CG1 3.4Å; F628-I630 VanDerWaalsContact C-N 3.29Å; F628-I630 PolarHBondContact O-N 3.44Å; I630-E632 PolarHBondContact O-N 3.08Å; I630-M633 HydrophobicContact CD1-CE 4.1Å; I630-M633 HydrophobicContact CD1-SD 4.34Å; I630-M633 WeakPolarHBondContact O-CB 3.47Å; I630-M633 WeakPolarHBondContact O-CG 3.49Å; I630-M633 PolarHBondContact O-N 3.21Å; I630-M633 VanDerWaalsContact O-N 3.08Å; I630-L636 HydrophobicContact CG2-CD2 4.32Å; I630-L639 HydrophobicContact CD1-CD1 4.35Å; I630-L639 HydrophobicContact CG2-CD2 3.71Å
631	E	88.1	Confident	93.1	Very high	42 Å²	42	40.5 Å²	40.5	20%	0.196	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.9	175	61	-83.4	-174.5	0	0	114.7	G629 E652 R656	G629-E631 WeakPolarHBondContact CA-OE1 3.47Å; G629-E631 VanDerWaalsContact N-CD 3.28Å; G629-E631 PolarHBondContact N-OE1 2.89Å; G629-E631 PolarHBondContact N-OE2 2.88Å; E631-E652 WeakPolarHBondContact CB-O 3.47Å; E631-R656 HydrophobicContact CB-CG 4.15Å
632	E	88.1	Confident	93.1	Very high	60 Å²	60	40.9 Å²	40.9	28%	0.28	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-18.8	176.1	-58.1	-58.7	109.4	0	0	113.2	Y610 I630 K634 R656	Y610-E632 HydrophobicContact CD1-CB 3.65Å; Y610-E632 HydrophobicContact CD1-CG 4.28Å; Y610-E632 HydrophobicContact CD2-CB 3.94Å; Y610-E632 HydrophobicContact CD2-CG 4.18Å; Y610-E632 HydrophobicContact CE1-CB 4.08Å; Y610-E632 HydrophobicContact CE1-CG 4.21Å; Y610-E632 HydrophobicContact CE2-CB 4.34Å; Y610-E632 HydrophobicContact CE2-CG 4.12Å; Y610-E632 HydrophobicContact CG-CB 3.59Å; Y610-E632 HydrophobicContact CG-CG 4.27Å; I630-E632 PolarHBondContact O-N 3.08Å; E632-K634 VanDerWaalsContact C-N 3.33Å; E632-K634 PolarHBondContact O-N 3.37Å; E632-R656 IonicContact OE1-CZ 2.68Å; E632-R656 IonicContact OE1-NE 3.47Å; E632-R656 PolarHBondContact OE1-NE 3.25Å; E632-R656 IonicContact OE1-NH2 3.21Å; E632-R656 PolarHBondContact OE1-NH2 2.72Å; E632-R656 IonicContact OE2-CZ 3.65Å; E632-R656 IonicContact OE2-NH2 3.73Å; E632-R656 PolarHBondContact OE2-NH2 2.88Å
633	M	90.1	Very high	93.1	Very high	5 Å²	5	38.5 Å²	38.5	3%	0.025	17%	0.173	C	C	.	.			trans	-84	66.9	-161.6	-53.5	-171.6	175.9	0	0	112.9	F606 Y610 L613 L616 G629 I630 K635 L636	F606-M633 HydrophobicContact CB-CE 3.69Å; F606-M633 HydrophobicContact CD1-CE 4.17Å; F606-M633 HydrophobicContact CD2-CE 4.11Å; F606-M633 HydrophobicContact CG-CE 3.73Å; Y610-M633 HydrophobicContact CD1-CE 4.09Å; Y610-M633 HydrophobicContact CD1-CG 4.14Å; Y610-M633 HydrophobicContact CE1-CE 4.29Å; Y610-M633 WeakPolarHBondContact O-CA 3.41Å; L613-M633 HydrophobicContact CB-SD 4.46Å; L613-M633 HydrophobicContact CD2-CE 4.1Å; L613-M633 HydrophobicContact CD2-SD 3.74Å; L616-M633 HydrophobicContact CD2-CE 4.21Å; L616-M633 HydrophobicContact CD2-SD 4.23Å; G629-M633 WeakPolarHBondContact O-CE 3.38Å; G629-M633 VanDerWaalsContact O-CG 3.31Å; G629-M633 WeakPolarHBondContact O-CG 3.31Å; I630-M633 HydrophobicContact CD1-CE 4.1Å; I630-M633 HydrophobicContact CD1-SD 4.34Å; I630-M633 WeakPolarHBondContact O-CB 3.47Å; I630-M633 WeakPolarHBondContact O-CG 3.49Å; I630-M633 PolarHBondContact O-N 3.21Å; I630-M633 VanDerWaalsContact O-N 3.08Å; M633-K635 PolarHBondContact O-N 3.25Å; M633-L636 HydrophobicContact CB-CB 3.7Å; M633-L636 HydrophobicContact CB-CD2 4.16Å; M633-L636 HydrophobicContact CB-CG 4.47Å; M633-L636 VanDerWaalsContact O-CB 3.25Å; M633-L636 WeakPolarHBondContact O-CB 3.26Å; M633-L636 PolarHBondContact O-N 3.12Å; M633-L636 HydrophobicContact SD-CD1 4.41Å; M633-L636 HydrophobicContact SD-CD2 3.95Å
634	K	83.1	Confident	93.1	Very high	121 Å²	121	38.4 Å²	38.4	53%	0.526	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-24.2	-177.6	-67.2	-164.6	-176	-171	0	115.1	E632 E669	E632-K634 VanDerWaalsContact C-N 3.33Å; E632-K634 PolarHBondContact O-N 3.37Å; K634-E669 IonicContact NZ-OE1 2.74Å; K634-E669 PolarHBondContact NZ-OE1 3.01Å; K634-E669 IonicContact NZ-OE2 2.79Å; K634-E669 PolarHBondContact NZ-OE2 3.38Å
635	K	90.4	Very high	93.2	Very high	100 Å²	100	38.3 Å²	38.3	44%	0.435	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-4.9	179.5	-66.1	-173.7	-169.5	159.1	0	115.1	H611 L613 M633	H611-K635 VanDerWaalsContact O-CD 3.25Å; H611-K635 WeakPolarHBondContact O-CD 3.27Å; H611-K635 WeakPolarHBondContact O-CE 3.45Å; H611-K635 PolarHBondContact O-NZ 3.33Å; L613-K635 CarbonylContact O-C 3.54Å; M633-K635 PolarHBondContact O-N 3.25Å
636	L	92.7	Very high	93.3	Very high	2 Å²	2	37 Å²	37	1%	0.01	16%	0.163	C	C	.	.			trans	-68	131.2	-175.9	-169.3	68.4	0	0	0	110.8	L613 L616 I630 M633 L639 R675 L676	L613-L636 HydrophobicContact CD2-CD1 4.43Å; L613-L636 HydrophobicContact CG-CD1 4.4Å; L613-L636 WeakPolarHBondContact O-CA 3.25Å; L613-L636 PolarHBondContact O-N 3.09Å; L613-L636 VanDerWaalsContact O-N 3.17Å; L616-L636 HydrophobicContact CB-CD1 3.9Å; I630-L636 HydrophobicContact CG2-CD2 4.32Å; M633-L636 HydrophobicContact CB-CB 3.7Å; M633-L636 HydrophobicContact CB-CD2 4.16Å; M633-L636 HydrophobicContact CB-CG 4.47Å; M633-L636 VanDerWaalsContact O-CB 3.25Å; M633-L636 WeakPolarHBondContact O-CB 3.26Å; M633-L636 PolarHBondContact O-N 3.12Å; M633-L636 HydrophobicContact SD-CD1 4.41Å; M633-L636 HydrophobicContact SD-CD2 3.95Å; L636-L639 HydrophobicContact CD2-CB 4.2Å; L636-L639 HydrophobicContact CD2-CD1 4.4Å; L636-R675 CarbonylContact O-C 3.49Å; L636-L676 HydrophobicContact CB-CD2 4.19Å; L636-L676 HydrophobicContact CD2-CD2 3.93Å; L636-L676 HydrophobicContact CG-CD2 3.82Å; L636-L676 PolarHBondContact O-N 3.09Å
637	R	93.3	Very high	93.2	Very high	72 Å²	72	43.5 Å²	43.5	27%	0.272	19%	0.187	S	C	.	.			trans	-116.9	-39.3	-179.6	-65.8	176	-176.5	-135.3	13	112.5	R614 R675 E677 H678	R614-R637 PolarHBondContact O-N 3.01Å; R637-R675 WeakPolarHBondContact CA-O 3.3Å; R637-R675 HydrophobicContact CG-CB 4.49Å; R637-R675 WeakPolarHBondContact CG-O 3.42Å; R637-E677 HydrophobicContact CB-CB 4.43Å; R637-E677 HydrophobicContact CB-CG 4.43Å; R637-E677 VanDerWaalsContact CD-OE1 3.3Å; R637-E677 WeakPolarHBondContact CD-OE1 3.35Å; R637-E677 IonicContact CZ-OE1 2.63Å; R637-E677 IonicContact NE-OE1 2.9Å; R637-E677 IonicContact NH1-OE1 2.74Å; R637-E677 PolarHBondContact NH1-OE1 2.9Å; R637-E677 PolarHBondContact O-N 2.63Å; R637-H678 PolarHBondContact O-N 2.74Å
638	F	96.2	Very high	92.9	Very high	46 Å²	46	47.1 Å²	47.1	20%	0.202	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	115.1	-178.8	-62.9	-103.2	0	0	0	110.2	R614 E615 L616 F617 H678	R614-F638 PolarHBondContact O-N 3.2Å; R614-F638 VanDerWaalsContact O-N 3.14Å; E615-F638 WeakPolarHBondContact CA-O 3.33Å; E615-F638 HydrophobicContact CB-CB 4.19Å; E615-F638 HydrophobicContact CG-CB 3.93Å; E615-F638 HydrophobicContact CG-CD2 3.76Å; E615-F638 HydrophobicContact CG-CG 4.13Å; L616-F638 PolarHBondContact N-O 2.85Å; F617-F638 HydrophobicContact CE1-CB 3.99Å; F638-H678 WeakPolarHBondContact CA-O 3.29Å; F638-H678 HydrophobicContact CD1-CB 3.72Å; F638-H678 AromaticContact CD1-CD2 3.68Å; F638-H678 AromaticContact CD1-CG 3.91Å; F638-H678 HydrophobicContact CE1-CB 4.09Å; F638-H678 AromaticContact CE1-CD2 3.1Å; F638-H678 WeakPolarHBondContact CE1-CD2 3.35Å; F638-H678 AromaticContact CE1-CG 3.74Å; F638-H678 AromaticContact CE1-NE2 3.85Å; F638-H678 HydrophobicContact CG-CB 4.4Å; F638-H678 AromaticContact CZ-CD2 3.54Å
639	L	97	Very high	93	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	120.4	173	178.5	60.5	0	0	0	109.2	L616 I630 L636 L641 L676 H678 V679 H680	L616-L639 HydrophobicContact CB-CD1 4.3Å; L616-L639 HydrophobicContact CD2-CD1 4.19Å; L616-L639 HydrophobicContact CG-CD1 4.26Å; L616-L639 WeakPolarHBondContact O-CA 3.42Å; I630-L639 HydrophobicContact CD1-CD1 4.35Å; I630-L639 HydrophobicContact CG2-CD2 3.71Å; L636-L639 HydrophobicContact CD2-CB 4.2Å; L636-L639 HydrophobicContact CD2-CD1 4.4Å; L639-L641 HydrophobicContact CD1-CD1 4.02Å; L639-L641 HydrophobicContact CD1-CG 4.13Å; L639-L641 HydrophobicContact CD2-CD1 3.85Å; L639-L641 HydrophobicContact CG-CD1 3.88Å; L639-L641 HydrophobicContact CG-CG 4.24Å; L639-L676 HydrophobicContact CB-CD2 4.16Å; L639-H678 PolarHBondContact N-O 2.82Å; L639-V679 HydrophobicContact CB-CG2 4.34Å; L639-V679 HydrophobicContact CD2-CG1 4.38Å; L639-V679 WeakPolarHBondContact O-CA 3.39Å; L639-H680 PolarHBondContact O-N 2.79Å
640	R	98.1	Very high	93	Very high	82 Å²	82	45.1 Å²	45.1	31%	0.309	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	117.4	174.4	-63.1	-170.4	-173.7	142.4	12.8	111.7	L616 F617 L618 D619 H680	L616-R640 PolarHBondContact O-N 3.19Å; F617-R640 HydrophobicContact CB-CB 4.27Å; F617-R640 HydrophobicContact CD1-CB 3.86Å; F617-R640 HydrophobicContact CD1-CG 3.55Å; F617-R640 HydrophobicContact CE1-CG 3.94Å; F617-R640 HydrophobicContact CG-CB 4.29Å; F617-R640 HydrophobicContact CG-CG 4.26Å; L618-R640 CarbonylContact C-O 3.5Å; L618-R640 WeakPolarHBondContact CA-O 2.98Å; L618-R640 PolarHBondContact N-O 3.48Å; D619-R640 HydrophobicContact CB-CB 4.12Å; D619-R640 PolarHBondContact N-O 3.41Å; R640-H680 HydrophobicContact CB-CB 4.42Å; R640-H680 HydrophobicContact CG-CB 4.16Å
641	L	98	Very high	92.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.222	C	C	.	.			trans	-128.4	9.4	178.2	-71.8	162.7	0	0	0	111.1	L618 L623 V626 L639 N644 I646 H680 L681 N684	L618-L641 HydrophobicContact CB-CD2 3.88Å; L618-L641 HydrophobicContact CD1-CD2 4.03Å; L623-L641 HydrophobicContact CD1-CD2 3.82Å; V626-L641 HydrophobicContact CG1-CD1 3.93Å; V626-L641 HydrophobicContact CG2-CD1 4.14Å; L639-L641 HydrophobicContact CD1-CD1 4.02Å; L639-L641 HydrophobicContact CD1-CG 4.13Å; L639-L641 HydrophobicContact CD2-CD1 3.85Å; L639-L641 HydrophobicContact CG-CD1 3.88Å; L639-L641 HydrophobicContact CG-CG 4.24Å; L641-N644 WeakPolarHBondContact O-CB 3.25Å; L641-N644 PolarHBondContact O-ND2 2.94Å; L641-I646 HydrophobicContact CB-CD1 3.91Å; L641-I646 HydrophobicContact CD2-CD1 4.27Å; L641-H680 CarbonylContact C-O 3.01Å; L641-H680 WeakPolarHBondContact CA-O 3.5Å; L641-H680 PolarHBondContact N-O 3Å; L641-L681 HydrophobicContact CB-CD2 3.76Å; L641-L681 HydrophobicContact CD1-CD2 4.15Å; L641-N684 PolarHBondContact O-ND2 3.39Å
642	N	97.8	Very high	92.1	Very high	16 Å²	16	50.6 Å²	50.6	9%	0.086	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	158.7	179.9	55.5	-35.8	0	0	0	112.8	D619 H620 N644 H680 E682	D619-N642 VanDerWaalsContact CA-O 3.24Å; D619-N642 WeakPolarHBondContact CA-O 3.48Å; D619-N642 WeakPolarHBondContact CB-O 3.4Å; D619-N642 WeakPolarHBondContact CB-OD1 3.5Å; H620-N642 PolarHBondContact N-O 3.32Å; N642-N644 PolarHBondContact O-N 3.27Å; N642-N644 VanDerWaalsContact O-N 3.1Å; N642-N644 PolarHBondContact O-ND2 3.29Å; N642-H680 HydrophobicContact CB-CB 4.07Å; N642-H680 PolarHBondContact N-O 3.49Å; N642-H680 VanDerWaalsContact N-O 3.13Å; N642-E682 CarbonylContact C-O 3.54Å; N642-E682 WeakPolarHBondContact CA-O 3.38Å; N642-E682 HydrophobicContact CB-CG 3.92Å; N642-E682 WeakPolarHBondContact CB-O 3.23Å; N642-E682 WeakPolarHBondContact CB-OE2 3.4Å; N642-E682 PolarHBondContact ND2-OE1 2.94Å
643	N	97.8	Very high	92.2	Very high	35 Å²	35	49.4 Å²	49.4	19%	0.187	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	5.3	-178	-59	-75.8	0	0	0	116.8	H620 E682 N683 K711	H620-N643 HydrophobicContact CB-CB 4.49Å; H620-N643 VanDerWaalsContact CD2-CB 3.45Å; H620-N643 WeakPolarHBondContact CD2-CB 3.3Å; H620-N643 PolarHBondContact CE1-ND2 2.76Å; H620-N643 VanDerWaalsContact CE1-ND2 3.26Å; H620-N643 VanDerWaalsContact NE2-CG 3.32Å; H620-N643 PolarHBondContact NE2-ND2 3.01Å; N643-E682 PolarHBondContact N-O 3.06Å; N643-N683 HydrophobicContact CB-CB 4.39Å; N643-N683 WeakPolarHBondContact OD1-CB 3.4Å; N643-N683 PolarHBondContact OD1-ND2 2.86Å; N643-K711 PolarHBondContact O-NZ 3.38Å
644	N	98.1	Very high	92.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-73.3	-161.9	173.4	-83.1	-84.5	0	0	0	112.8	L618 N621 E622 L623 L641 N642 I646 N684 K711	L618-N644 PolarHBondContact O-ND2 2.89Å; N621-N644 VanDerWaalsContact CA-OD1 3.23Å; N621-N644 WeakPolarHBondContact CA-OD1 3.29Å; N621-N644 WeakPolarHBondContact CB-OD1 3.41Å; N621-N644 PolarHBondContact N-OD1 3.33Å; N621-N644 PolarHBondContact O-OD1 2.77Å; N621-N644 VanDerWaalsContact O-OD1 3.13Å; E622-N644 PolarHBondContact N-OD1 2.97Å; L623-N644 HydrophobicContact CB-CB 4.25Å; L623-N644 WeakPolarHBondContact CB-OD1 3.36Å; L623-N644 WeakPolarHBondContact CG-OD1 3.11Å; L623-N644 PolarHBondContact N-OD1 2.86Å; L623-N644 VanDerWaalsContact N-OD1 3.12Å; L641-N644 WeakPolarHBondContact O-CB 3.25Å; L641-N644 PolarHBondContact O-ND2 2.94Å; N642-N644 PolarHBondContact O-N 3.27Å; N642-N644 VanDerWaalsContact O-N 3.1Å; N642-N644 PolarHBondContact O-ND2 3.29Å; N644-I646 HydrophobicContact CB-CD1 4.17Å; N644-I646 HydrophobicContact CB-CG1 3.9Å; N644-N684 VanDerWaalsContact CA-OD1 3.24Å; N644-N684 WeakPolarHBondContact CA-OD1 3.48Å; N644-N684 WeakPolarHBondContact CB-OD1 3.13Å; N644-N684 PolarHBondContact N-OD1 3.18Å; N644-N684 PolarHBondContact O-OD1 3.28Å; N644-K711 PolarHBondContact O-NZ 3.45Å
645	K	96.8	Very high	92.3	Very high	77 Å²	77	43.7 Å²	43.7	34%	0.335	21%	0.205	S	C	.	.			trans	-109.9	16.6	177.4	-54.3	-176.8	-175.5	179.7	0	112.6	E622 L623 N684 Y685	E622-K645 VanDerWaalsContact OE1-CE 3.24Å; E622-K645 WeakPolarHBondContact OE1-CE 3.25Å; E622-K645 IonicContact OE1-NZ 2.85Å; E622-K645 PolarHBondContact OE1-NZ 3.29Å; E622-K645 IonicContact OE2-NZ 3.3Å; E622-K645 PolarHBondContact OE2-NZ 2.97Å; L623-K645 CarbonylContact O-C 3.23Å; L623-K645 WeakPolarHBondContact O-CA 3.47Å; L623-K645 WeakPolarHBondContact O-CB 3.48Å; L623-K645 PolarHBondContact O-N 3.03Å; K645-N684 PolarHBondContact N-OD1 2.03Å; K645-Y685 HydrophobicContact CB-CD2 4.5Å; K645-Y685 HydrophobicContact CB-CE2 4.4Å
646	I	96.3	Very high	91.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	21%	0.208	C	C	.	.			trans	-63.1	136.3	-166.1	-58.7	174.4	0	0	0	111.3	L623 K624 V626 L641 N644 T648 L681 N684 Y685 I686	L623-I646 HydrophobicContact CB-CG1 4.22Å; L623-I646 VanDerWaalsContact O-CG1 3.32Å; L623-I646 WeakPolarHBondContact O-CG1 3.16Å; L623-I646 PolarHBondContact O-N 3.15Å; K624-I646 CarbonylContact O-C 3.41Å; K624-I646 VanDerWaalsContact O-CA 3.29Å; K624-I646 WeakPolarHBondContact O-CA 3.45Å; V626-I646 HydrophobicContact CG2-CD1 4.39Å; L641-I646 HydrophobicContact CB-CD1 3.91Å; L641-I646 HydrophobicContact CD2-CD1 4.27Å; N644-I646 HydrophobicContact CB-CD1 4.17Å; N644-I646 HydrophobicContact CB-CG1 3.9Å; I646-T648 WeakPolarHBondContact CG2-O 3.22Å; I646-L681 HydrophobicContact CD1-CD2 4.31Å; I646-N684 HydrophobicContact CB-CB 4.07Å; I646-N684 WeakPolarHBondContact CB-OD1 3.25Å; I646-N684 WeakPolarHBondContact CG1-OD1 3.13Å; I646-N684 PolarHBondContact N-OD1 2.95Å; I646-Y685 CarbonylContact O-C 3.31Å; I646-Y685 VanDerWaalsContact O-CA 3.3Å; I646-Y685 WeakPolarHBondContact O-CA 3.37Å; I646-Y685 PolarHBondContact O-N 3.11Å; I646-I686 HydrophobicContact CB-CD1 4.43Å; I646-I686 HydrophobicContact CB-CG1 4.32Å; I646-I686 HydrophobicContact CG2-CD1 4.06Å; I646-I686 HydrophobicContact CG2-CG1 3.96Å; I646-I686 PolarHBondContact O-N 3.14Å
647	R	92.4	Very high	90.4	Very high	137 Å²	137	47 Å²	47	52%	0.517	22%	0.219	S	C	.	.			trans	-115.4	-35.2	-177.5	-61.8	175.4	-176.8	178.8	4.7	113.3	K624	K624-R647 PolarHBondContact O-N 2.82Å
648	T	87.1	Confident	88.7	Confident	84 Å²	84	52.1 Å²	52.1	52%	0.515	25%	0.245	S	C	.	.			trans	-130	144	-176	45.3	0	0	0	0	110	I646	I646-T648 WeakPolarHBondContact CG2-O 3.22Å
649	V	91.8	Very high	86.6	Confident	9 Å²	9	54 Å²	54	6%	0.055	27%	0.269	C	S	.	.			trans	-123.4	102.2	164.4	-174.9	0	0	0	0	104.8	V626 I654 L681 I686 L691 A695 F696	V626-V649 HydrophobicContact CG2-CG1 4.26Å; V626-V649 HydrophobicContact CG2-CG2 4.11Å; V649-I654 HydrophobicContact CG1-CD1 3.78Å; V649-I654 HydrophobicContact CG1-CG1 4.32Å; V649-L681 HydrophobicContact CG2-CD1 4.49Å; V649-I686 HydrophobicContact CG2-CD1 4.01Å; V649-L691 HydrophobicContact CB-CD2 3.79Å; V649-L691 HydrophobicContact CG2-CD2 4.13Å; V649-A695 HydrophobicContact CG1-CB 4.2Å; V649-F696 HydrophobicContact CG1-CZ 4.41Å
650	P	87.4	Confident	84.1	Confident	54 Å²	54	58 Å²	58	35%	0.351	30%	0.298	S	S	.	.			trans	-60.6	159.5	176.5	-21.8	33.1	0	0	0	111.7	R653	P650-R653 HydrophobicContact CB-CB 4.07Å; P650-R653 HydrophobicContact CG-CB 4.22Å; P650-R653 HydrophobicContact CG-CG 4.39Å
651	P	78.6	Confident	81.7	Confident	56 Å²	56	59.6 Å²	59.6	36%	0.364	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	162.1	154.6	30.8	-35.7	0	0	0	110	R653	P651-R653 PolarHBondContact O-N 3.19Å
652	E	83.3	Confident	79.1	Confident	107 Å²	107	66.9 Å²	66.9	50%	0.5	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	64	-11.1	-179.8	-64.7	136.4	-104.4	0	0	116.7	E631 I654 C655 T657	E631-E652 WeakPolarHBondContact CB-O 3.47Å; E652-I654 PolarHBondContact O-N 3.05Å; E652-C655 WeakPolarHBondContact CA-O 3.16Å; E652-T657 HydrophobicContact CG-CG2 4.41Å; E652-T657 WeakPolarHBondContact CG-OG1 3.01Å
653	R	89.1	Confident	76.6	Confident	35 Å²	35	73.1 Å²	73.1	13%	0.132	39%	0.385	C	S	.	.	S	Bend	trans	-87.7	-0.1	-171.2	-164.5	49.6	159.6	-128.6	-7.3	116.9	V626 P627 F628 P650 P651	V626-R653 HydrophobicContact CB-CG 3.87Å; V626-R653 HydrophobicContact CG1-CG 4.07Å; V626-R653 VanDerWaalsContact O-CZ 3.29Å; V626-R653 PolarHBondContact O-NE 2.03Å; V626-R653 PolarHBondContact O-NH2 3.3Å; P627-R653 VanDerWaalsContact C-NE 3.3Å; P627-R653 WeakPolarHBondContact O-CD 3.14Å; P627-R653 PolarHBondContact O-NE 3.39Å; F628-R653 VanDerWaalsContact CG-NH1 3.31Å; P650-R653 HydrophobicContact CB-CB 4.07Å; P650-R653 HydrophobicContact CG-CB 4.22Å; P650-R653 HydrophobicContact CG-CG 4.39Å; P651-R653 PolarHBondContact O-N 3.19Å
654	I	89.7	Confident	74	Confident	4 Å²	4	77.8 Å²	77.8	2%	0.021	41%	0.409	C	S	.	.	S	Bend	trans	-142.7	-37.7	173.9	-61.8	178.7	0	0	0	108.3	V626 V649 E652 L676 F696 I699	V626-I654 HydrophobicContact CG1-CG1 4.15Å; V649-I654 HydrophobicContact CG1-CD1 3.78Å; V649-I654 HydrophobicContact CG1-CG1 4.32Å; E652-I654 PolarHBondContact O-N 3.05Å; I654-L676 HydrophobicContact CG2-CD1 3.76Å; I654-F696 HydrophobicContact CD1-CD1 4.31Å; I654-F696 HydrophobicContact CD1-CE1 3.78Å; I654-I699 HydrophobicContact CG2-CD1 4.38Å
655	C	86.4	Confident	71.4	Confident	2 Å²	2	85.2 Å²	85.2	1%	0.014	45%	0.449	C	S	.	.	S	Bend	trans	-124.4	114	176.3	-65.2	0	0	0	0	109.9	E652 S697 C698	E652-C655 WeakPolarHBondContact CA-O 3.16Å; C655-S697 VanDerWaalsContact CB-OG 3.31Å; C655-S697 WeakPolarHBondContact CB-OG 3.03Å; C655-C698 WeakPolarHBondContact CA-SG 3.01Å; C655-C698 HydrophobicContact CB-CB 3.53Å; C655-C698 WeakPolarHBondContact CB-SG 3.49Å; C655-C698 VanDerWaalsContact SG-CA 3.56Å; C655-C698 WeakPolarHBondContact SG-CB 3Å; C655-C698 PolarHBondContact SG-N 2.97Å; C655-C698 CovalentContact SG-SG 2.03Å; C655-C698 PolarHBondContact SG-SG 2.91Å
656	R	77.7	Confident	68.9	Low	132 Å²	132	85.4 Å²	85.4	50%	0.498	46%	0.46	S	S	.	.			trans	-52.4	150.1	164.3	-71.9	175.8	162.5	-151.5	-0	110.3	E631 E632	E631-R656 HydrophobicContact CB-CG 4.15Å; E632-R656 IonicContact OE1-CZ 2.68Å; E632-R656 IonicContact OE1-NE 3.47Å; E632-R656 PolarHBondContact OE1-NE 3.25Å; E632-R656 IonicContact OE1-NH2 3.21Å; E632-R656 PolarHBondContact OE1-NH2 2.72Å; E632-R656 IonicContact OE2-CZ 3.65Å; E632-R656 IonicContact OE2-NH2 3.73Å; E632-R656 PolarHBondContact OE2-NH2 2.88Å
657	T	65.1	Low	66.4	Low	39 Å²	39	94.7 Å²	94.7	24%	0.239	50%	0.504	C	S	.	.			trans	-110.1	129.3	169.7	46.4	0	0	0	0	109.6	E652 A659 H694	E652-T657 HydrophobicContact CG-CG2 4.41Å; E652-T657 WeakPolarHBondContact CG-OG1 3.01Å; T657-A659 PolarHBondContact O-N 3.17Å; T657-H694 HydrophobicContact CG2-CB 4.07Å
658	H	58.3	Low	64.1	Low	179 Å²	179	97 Å²	97	83%	0.829	52%	0.52	S	S	*	.	S	Bend	trans	-71	40.6	-178	-56.5	-93.2	0	0	0	114
659	A	51.4	Low	62.2	Low	85 Å²	85	99 Å²	99	70%	0.702	52%	0.524	S	S	*	.	S	Bend	trans	-109.8	11	-167.9	0	0	0	0	0	114.3	T657	T657-A659 PolarHBondContact O-N 3.17Å
660	S	45.7	Very low	60	Low	86 Å²	86	108.3 Å²	108.3	60%	0.601	57%	0.567	S	S	*	*	S	Bend	trans	-123.4	-25.6	-177	58.7	0	0	0	0	115
661	D	46.3	Very low	58	Low	114 Å²	114	111.9 Å²	111.9	61%	0.61	58%	0.583	S	S	*	*			trans	-110.7	48.2	-162.7	-56.7	-21.7	0	0	0	112.7	N663	D661-N663 PolarHBondContact O-N 3.09Å
662	D	44.7	Very low	56.7	Low	154 Å²	154	111.3 Å²	111.3	82%	0.824	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	18.9	175.5	-80.4	-36.2	0	0	0	114.4
663	N	45.4	Very low	55.4	Low	147 Å²	147	109.7 Å²	109.7	79%	0.786	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126	-16.4	-172.5	-84.3	-58	0	0	0	115.7	D661 N665	D661-N663 PolarHBondContact O-N 3.09Å; N663-N665 PolarHBondContact O-N 3.18Å
664	D	42.7	Very low	54.3	Low	132 Å²	132	109.2 Å²	109.2	71%	0.706	58%	0.584	S	S	*	*			trans	-91.9	84.1	-175	-145.1	-20.4	0	0	0	111.2	S666	D664-S666 PolarHBondContact O-N 2.92Å
665	N	43.3	Very low	53.6	Low	156 Å²	156	115.4 Å²	115.4	83%	0.834	61%	0.607	S	S	*	*			trans	-71.8	66.1	176.9	-74.1	-71.3	0	0	0	111.6	N663	N663-N665 PolarHBondContact O-N 3.18Å
666	S	44.9	Very low	53.7	Low	82 Å²	82	115.7 Å²	115.7	57%	0.573	61%	0.609	S	S	*	*			trans	-108.8	100.3	170	48.5	0	0	0	0	109.9	D664 E668	D664-S666 PolarHBondContact O-N 2.92Å; S666-E668 PolarHBondContact O-N 3.34Å
667	E	42.7	Very low	54.2	Low	195 Å²	195	113 Å²	113	91%	0.911	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	31.3	-175.1	-57.7	-176.7	135.7	0	0	113.7
668	E	43.7	Very low	55.5	Low	185 Å²	185	114.8 Å²	114.8	86%	0.864	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.5	25.1	-169	-66.9	-161.9	169.3	0	0	116.5	S666	S666-E668 PolarHBondContact O-N 3.34Å
669	E	47.6	Very low	57.2	Low	126 Å²	126	106.2 Å²	106.2	59%	0.589	57%	0.568	S	S	*	*			trans	-130.5	57.7	166	-84.5	-153.9	-162.2	0	0	114.5	K634 D671	K634-E669 IonicContact NZ-OE1 2.74Å; K634-E669 PolarHBondContact NZ-OE1 3.01Å; K634-E669 IonicContact NZ-OE2 2.79Å; K634-E669 PolarHBondContact NZ-OE2 3.38Å; E669-D671 PolarHBondContact O-N 3.21Å; E669-D671 VanDerWaalsContact O-N 3.09Å
670	E	45.8	Very low	59.4	Low	205 Å²	205	104.2 Å²	104.2	96%	0.958	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-1.6	169.1	-79.8	-159.2	134.5	0	0	114.8
671	D	45.2	Very low	61.8	Low	128 Å²	128	100.1 Å²	100.1	68%	0.684	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	22.5	-177	-146.8	17.6	0	0	0	112.7	E669 D673	E669-D671 PolarHBondContact O-N 3.21Å; E669-D671 VanDerWaalsContact O-N 3.09Å; D671-D673 PolarHBondContact O-N 3.1Å
672	G	51.1	Low	64.2	Low	44 Å²	44	95.9 Å²	95.9	45%	0.454	49%	0.492	S	S	.	.			trans	-69.2	8.2	-172.4	0	0	0	0	0	117.9
673	D	57.7	Low	66.7	Low	74 Å²	74	90.9 Å²	90.9	40%	0.396	47%	0.465	S	S	.	.	S	Bend	trans	-72.4	140	176.5	-96	-43.9	0	0	0	112	D671 R675 R700	D671-D673 PolarHBondContact O-N 3.1Å; D673-R675 PolarHBondContact O-N 3.24Å; D673-R700 HydrophobicContact CB-CG 4.23Å; D673-R700 VanDerWaalsContact CG-NE 3.31Å; D673-R700 IonicContact OD2-CZ 2.62Å; D673-R700 IonicContact OD2-NE 3.69Å; D673-R700 PolarHBondContact OD2-NE 3.09Å; D673-R700 IonicContact OD2-NH2 2.66Å; D673-R700 PolarHBondContact OD2-NH2 2.91Å
674	S	64.4	Low	69.2	Low	25 Å²	25	83.9 Å²	83.9	18%	0.175	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-69.3	135.3	-179.2	-177.1	0	0	0	0	112	L676 C698	S674-L676 PolarHBondContact O-N 3.48Å; S674-L676 WeakPolarHBondContact OG-CG 3.3Å; S674-C698 WeakPolarHBondContact CB-O 3.38Å; S674-C698 WeakPolarHBondContact CB-SG 3.33Å; S674-C698 PolarHBondContact N-O 3.48Å
675	R	76.5	Confident	71.7	Confident	133 Å²	133	81.5 Å²	81.5	50%	0.502	41%	0.409	S	S	.	.			trans	-83	15.9	-176.4	-55.3	-168.6	68	144.7	9.5	113.5	L636 R637 D673 E677	L636-R675 CarbonylContact O-C 3.49Å; R637-R675 WeakPolarHBondContact CA-O 3.3Å; R637-R675 HydrophobicContact CG-CB 4.49Å; R637-R675 WeakPolarHBondContact CG-O 3.42Å; D673-R675 PolarHBondContact O-N 3.24Å; R675-E677 PolarHBondContact O-N 2.74Å
676	L	87.1	Confident	74.2	Confident	9 Å²	9	74.4 Å²	74.4	5%	0.047	37%	0.371	C	S	.	.			trans	-65.5	87.4	179.4	-79.1	172.3	0	0	0	112.3	L636 L639 I654 S674 H678 V679 I699	L636-L676 HydrophobicContact CB-CD2 4.19Å; L636-L676 HydrophobicContact CD2-CD2 3.93Å; L636-L676 HydrophobicContact CG-CD2 3.82Å; L636-L676 PolarHBondContact O-N 3.09Å; L639-L676 HydrophobicContact CB-CD2 4.16Å; I654-L676 HydrophobicContact CG2-CD1 3.76Å; S674-L676 PolarHBondContact O-N 3.48Å; S674-L676 WeakPolarHBondContact OG-CG 3.3Å; L676-H678 VanDerWaalsContact C-N 3.32Å; L676-V679 HydrophobicContact CB-CG2 4.17Å; L676-V679 HydrophobicContact CD1-CG2 4.05Å; L676-V679 HydrophobicContact CD2-CG2 4.04Å; L676-V679 HydrophobicContact CG-CG2 4.33Å; L676-I699 HydrophobicContact CB-CD1 4.45Å; L676-I699 HydrophobicContact CB-CG1 4.24Å; L676-I699 HydrophobicContact CD1-CD1 4.15Å; L676-I699 HydrophobicContact CD1-CG1 4.23Å
677	E	88.4	Confident	76.4	Confident	75 Å²	75	73.9 Å²	73.9	35%	0.35	36%	0.362	S	S	.	.	S	Bend	trans	-65.4	-32	173.5	-69.3	168.7	-152.6	0	0	112.3	R637 R675 S704	R637-E677 HydrophobicContact CB-CB 4.43Å; R637-E677 HydrophobicContact CB-CG 4.43Å; R637-E677 VanDerWaalsContact CD-OE1 3.3Å; R637-E677 WeakPolarHBondContact CD-OE1 3.35Å; R637-E677 IonicContact CZ-OE1 2.63Å; R637-E677 IonicContact NE-OE1 2.9Å; R637-E677 IonicContact NH1-OE1 2.74Å; R637-E677 PolarHBondContact NH1-OE1 2.9Å; R637-E677 PolarHBondContact O-N 2.63Å; R675-E677 PolarHBondContact O-N 2.74Å; E677-S704 WeakPolarHBondContact O-CB 3.02Å; E677-S704 PolarHBondContact O-OG 2.89Å
678	H	92	Very high	78.5	Confident	76 Å²	76	67.2 Å²	67.2	35%	0.352	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	123.1	-175.9	-66.5	-80.9	0	0	0	113.5	R637 F638 L639 L676	R637-H678 PolarHBondContact O-N 2.74Å; F638-H678 WeakPolarHBondContact CA-O 3.29Å; F638-H678 HydrophobicContact CD1-CB 3.72Å; F638-H678 AromaticContact CD1-CD2 3.68Å; F638-H678 AromaticContact CD1-CG 3.91Å; F638-H678 HydrophobicContact CE1-CB 4.09Å; F638-H678 AromaticContact CE1-CD2 3.1Å; F638-H678 WeakPolarHBondContact CE1-CD2 3.35Å; F638-H678 AromaticContact CE1-CG 3.74Å; F638-H678 AromaticContact CE1-NE2 3.85Å; F638-H678 HydrophobicContact CG-CB 4.4Å; F638-H678 AromaticContact CZ-CD2 3.54Å; L639-H678 PolarHBondContact N-O 2.82Å; L676-H678 VanDerWaalsContact C-N 3.32Å
679	V	95.3	Very high	80.6	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	113.8	173.3	178.9	0	0	0	0	110	L639 L676 L681 I699 S704 V705 V706	L639-V679 HydrophobicContact CB-CG2 4.34Å; L639-V679 HydrophobicContact CD2-CG1 4.38Å; L639-V679 WeakPolarHBondContact O-CA 3.39Å; L676-V679 HydrophobicContact CB-CG2 4.17Å; L676-V679 HydrophobicContact CD1-CG2 4.05Å; L676-V679 HydrophobicContact CD2-CG2 4.04Å; L676-V679 HydrophobicContact CG-CG2 4.33Å; V679-L681 HydrophobicContact CG1-CD1 4.03Å; V679-L681 HydrophobicContact CG1-CG 4.18Å; V679-I699 HydrophobicContact CB-CD1 4.46Å; V679-I699 HydrophobicContact CG2-CD1 3.71Å; V679-S704 PolarHBondContact N-O 2.84Å; V679-V705 CarbonylContact O-C 3.56Å; V679-V705 WeakPolarHBondContact O-CA 3.42Å; V679-V706 PolarHBondContact O-N 2.04Å
680	H	97.3	Very high	82.4	Confident	42 Å²	42	71.2 Å²	71.2	19%	0.194	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.4	179.2	-78.8	-101.4	0	0	0	111.9	L639 R640 L641 N642 E682	L639-H680 PolarHBondContact O-N 2.79Å; R640-H680 HydrophobicContact CB-CB 4.42Å; R640-H680 HydrophobicContact CG-CB 4.16Å; L641-H680 CarbonylContact C-O 3.01Å; L641-H680 WeakPolarHBondContact CA-O 3.5Å; L641-H680 PolarHBondContact N-O 3Å; N642-H680 HydrophobicContact CB-CB 4.07Å; N642-H680 PolarHBondContact N-O 3.49Å; N642-H680 VanDerWaalsContact N-O 3.13Å; H680-E682 WeakPolarHBondContact CB-OE2 3.41Å; H680-E682 IonicContact CE1-OE1 3.52Å; H680-E682 IonicContact CG-OE1 2.7Å; H680-E682 IonicContact CG-OE2 3.39Å; H680-E682 IonicContact ND1-OE1 2.61Å; H680-E682 PolarHBondContact ND1-OE1 2.92Å; H680-E682 IonicContact ND1-OE2 2.7Å; H680-E682 PolarHBondContact ND1-OE2 2.77Å
681	L	96.8	Very high	84.4	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	31%	0.307	C	S	.	.			trans	-132.9	3.6	-177.7	-77.1	167.6	0	0	0	112.9	L641 I646 V649 V679 N684 I686 F696 V706 L707 Q710	L641-L681 HydrophobicContact CB-CD2 3.76Å; L641-L681 HydrophobicContact CD1-CD2 4.15Å; I646-L681 HydrophobicContact CD1-CD2 4.31Å; V649-L681 HydrophobicContact CG2-CD1 4.49Å; V679-L681 HydrophobicContact CG1-CD1 4.03Å; V679-L681 HydrophobicContact CG1-CG 4.18Å; L681-N684 PolarHBondContact O-ND2 2.84Å; L681-I686 HydrophobicContact CB-CD1 4.14Å; L681-I686 HydrophobicContact CD2-CD1 4.04Å; L681-I686 HydrophobicContact CG-CD1 4.49Å; L681-F696 HydrophobicContact CD1-CE1 3.69Å; L681-F696 HydrophobicContact CD1-CZ 3.7Å; L681-V706 CarbonylContact C-O 3.13Å; L681-V706 PolarHBondContact N-O 3.01Å; L681-L707 HydrophobicContact CB-CD1 4.15Å; L681-L707 HydrophobicContact CD1-CD1 4.46Å; L681-Q710 PolarHBondContact O-NE2 2.89Å
682	E	96.6	Very high	86.4	Confident	26 Å²	26	58.8 Å²	58.8	12%	0.121	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	160.9	179.4	73.2	-80.2	-171.1	0	0	113.3	N642 N643 H680 N684 V706 P709	N642-E682 CarbonylContact C-O 3.54Å; N642-E682 WeakPolarHBondContact CA-O 3.38Å; N642-E682 HydrophobicContact CB-CG 3.92Å; N642-E682 WeakPolarHBondContact CB-O 3.23Å; N642-E682 WeakPolarHBondContact CB-OE2 3.4Å; N642-E682 PolarHBondContact ND2-OE1 2.94Å; N643-E682 PolarHBondContact N-O 3.06Å; H680-E682 WeakPolarHBondContact CB-OE2 3.41Å; H680-E682 IonicContact CE1-OE1 3.52Å; H680-E682 IonicContact CG-OE1 2.7Å; H680-E682 IonicContact CG-OE2 3.39Å; H680-E682 IonicContact ND1-OE1 2.61Å; H680-E682 PolarHBondContact ND1-OE1 2.92Å; H680-E682 IonicContact ND1-OE2 2.7Å; H680-E682 PolarHBondContact ND1-OE2 2.77Å; E682-N684 PolarHBondContact O-N 3.05Å; E682-V706 HydrophobicContact CB-CG1 4.37Å; E682-V706 HydrophobicContact CG-CG1 4.4Å; E682-V706 PolarHBondContact N-O 2.85Å; E682-V706 VanDerWaalsContact N-O 3.1Å; E682-V706 WeakPolarHBondContact OE2-CG1 3.48Å; E682-P709 CarbonylContact C-O 3.41Å; E682-P709 WeakPolarHBondContact CA-O 2.98Å
683	N	97.1	Very high	87.6	Confident	49 Å²	49	61.8 Å²	61.8	26%	0.262	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	26.9	-178.3	-59.1	-29.5	0	0	0	114.4	N643 P709 K711	N643-N683 HydrophobicContact CB-CB 4.39Å; N643-N683 WeakPolarHBondContact OD1-CB 3.4Å; N643-N683 PolarHBondContact OD1-ND2 2.86Å; N683-P709 PolarHBondContact N-O 2.83Å; N683-P709 WeakPolarHBondContact OD1-CG 3.05Å; N683-K711 VanDerWaalsContact O-CD 3.24Å; N683-K711 WeakPolarHBondContact O-CD 3.23Å; N683-K711 WeakPolarHBondContact O-CE 3.06Å; N683-K711 PolarHBondContact O-NZ 3.12Å
684	N	97.2	Very high	88.8	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	30%	0.301	C	S	.	.	S	Bend	trans	-95.1	-162.7	166.6	-80.8	-68.9	0	0	0	110.7	L641 N644 K645 I646 L681 E682 I686 Q710 K711	L641-N684 PolarHBondContact O-ND2 3.39Å; N644-N684 VanDerWaalsContact CA-OD1 3.24Å; N644-N684 WeakPolarHBondContact CA-OD1 3.48Å; N644-N684 WeakPolarHBondContact CB-OD1 3.13Å; N644-N684 PolarHBondContact N-OD1 3.18Å; N644-N684 PolarHBondContact O-OD1 3.28Å; K645-N684 PolarHBondContact N-OD1 2.03Å; I646-N684 HydrophobicContact CB-CB 4.07Å; I646-N684 WeakPolarHBondContact CB-OD1 3.25Å; I646-N684 WeakPolarHBondContact CG1-OD1 3.13Å; I646-N684 PolarHBondContact N-OD1 2.95Å; L681-N684 PolarHBondContact O-ND2 2.84Å; E682-N684 PolarHBondContact O-N 3.05Å; N684-I686 HydrophobicContact CB-CD1 3.98Å; N684-I686 HydrophobicContact CB-CG1 3.96Å; N684-Q710 VanDerWaalsContact CA-OE1 3.29Å; N684-Q710 VanDerWaalsContact CB-OE1 3.23Å; N684-Q710 PolarHBondContact O-OE1 2.04Å; N684-Q710 VanDerWaalsContact O-OE1 3.07Å; N684-K711 WeakPolarHBondContact O-CB 3.3Å; N684-K711 PolarHBondContact O-N 2.04Å
685	Y	96.1	Very high	89.9	Confident	81 Å²	81	62 Å²	62	32%	0.318	29%	0.293	S	S	.	.			trans	-118.8	32.7	174.2	-59.2	-87.6	0	0	0	112	K645 I646 N687 K711 K713	K645-Y685 HydrophobicContact CB-CD2 4.5Å; K645-Y685 HydrophobicContact CB-CE2 4.4Å; I646-Y685 CarbonylContact O-C 3.31Å; I646-Y685 VanDerWaalsContact O-CA 3.3Å; I646-Y685 WeakPolarHBondContact O-CA 3.37Å; I646-Y685 PolarHBondContact O-N 3.11Å; Y685-N687 PolarHBondContact O-N 3.45Å; Y685-K711 HydrophobicContact CD1-CB 3.68Å; Y685-K711 WeakPolarHBondContact CD1-O 3.24Å; Y685-K711 HydrophobicContact CE1-CB 3.44Å; Y685-K711 VanDerWaalsContact CE1-CB 3.44Å; Y685-K711 HydrophobicContact CE1-CD 4.1Å; Y685-K711 HydrophobicContact CE1-CG 4.41Å; Y685-K711 HydrophobicContact CE2-CD 4.01Å; Y685-K711 HydrophobicContact CG-CB 4.38Å; Y685-K713 HydrophobicContact CD1-CG 3.84Å; Y685-K713 HydrophobicContact CE1-CG 4.27Å
686	I	94.6	Very high	90.4	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.036	27%	0.273	C	S	.	.			trans	-73.9	123.4	-172.9	-61.7	166.3	0	0	0	110.2	I646 V649 L681 N684 T688 L691 L707	I646-I686 HydrophobicContact CB-CD1 4.43Å; I646-I686 HydrophobicContact CB-CG1 4.32Å; I646-I686 HydrophobicContact CG2-CD1 4.06Å; I646-I686 HydrophobicContact CG2-CG1 3.96Å; I646-I686 PolarHBondContact O-N 3.14Å; V649-I686 HydrophobicContact CG2-CD1 4.01Å; L681-I686 HydrophobicContact CB-CD1 4.14Å; L681-I686 HydrophobicContact CD2-CD1 4.04Å; L681-I686 HydrophobicContact CG-CD1 4.49Å; N684-I686 HydrophobicContact CB-CD1 3.98Å; N684-I686 HydrophobicContact CB-CG1 3.96Å; I686-T688 PolarHBondContact O-N 3.07Å; I686-L691 HydrophobicContact CG2-CD1 4Å; I686-L691 HydrophobicContact CG2-CD2 3.82Å; I686-L691 HydrophobicContact CG2-CG 4.07Å; I686-L707 HydrophobicContact CD1-CD1 4.24Å; I686-L707 HydrophobicContact CG2-CD1 4.4Å
687	N	90.9	Very high	90.3	Very high	71 Å²	71	58.8 Å²	58.8	38%	0.38	29%	0.289	S	S	.	.			trans	-75.5	93.5	172.2	-172.9	-0.6	0	0	0	110.5	Y685 R689 Q690	Y685-N687 PolarHBondContact O-N 3.45Å; N687-R689 PolarHBondContact O-N 2.88Å; N687-R689 PolarHBondContact OD1-N 2.79Å; N687-Q690 HydrophobicContact CB-CB 4.35Å; N687-Q690 PolarHBondContact ND2-OE1 3.25Å; N687-Q690 PolarHBondContact O-N 2.6Å
688	T	87.9	Confident	90.1	Very high	56 Å²	56	56.2 Å²	56.2	34%	0.344	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-10.5	-179.6	61.2	0	0	0	0	115.6	I686 L707 Q710	I686-T688 PolarHBondContact O-N 3.07Å; T688-L707 HydrophobicContact CG2-CD1 4.39Å; T688-L707 HydrophobicContact CG2-CD2 3.92Å; T688-L707 HydrophobicContact CG2-CG 3.91Å; T688-Q710 HydrophobicContact CG2-CG 4.29Å
689	R	86.6	Confident	89.8	Confident	235 Å²	235	53 Å²	53	89%	0.887	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-8	172.7	-60.9	-177	-179.8	178.5	-0.2	114.4	N687	N687-R689 PolarHBondContact O-N 2.88Å; N687-R689 PolarHBondContact OD1-N 2.79Å
690	Q	86.1	Confident	88.9	Confident	159 Å²	159	61.6 Å²	61.6	74%	0.743	30%	0.297	S	S	*	.	S	Bend	trans	-118.9	12.8	-177	-69.9	179.9	-50.7	0	0	112.6	N687	N687-Q690 HydrophobicContact CB-CB 4.35Å; N687-Q690 PolarHBondContact ND2-OE1 3.25Å; N687-Q690 PolarHBondContact O-N 2.6Å
691	L	88.1	Confident	88.2	Confident	38 Å²	38	62.1 Å²	62.1	20%	0.199	31%	0.305	C	S	.	.			trans	-76	135.1	173.6	-72.3	166.5	0	0	0	110.2	V649 I686 F696 L707	V649-L691 HydrophobicContact CB-CD2 3.79Å; V649-L691 HydrophobicContact CG2-CD2 4.13Å; I686-L691 HydrophobicContact CG2-CD1 4Å; I686-L691 HydrophobicContact CG2-CD2 3.82Å; I686-L691 HydrophobicContact CG2-CG 4.07Å; L691-F696 HydrophobicContact CD1-CE2 4.34Å; L691-L707 HydrophobicContact CD1-CD1 4.23Å; L691-L707 HydrophobicContact CD1-CD2 3.56Å; L691-L707 HydrophobicContact CD1-CG 4.49Å
692	S	86.3	Confident	87.4	Confident	34 Å²	34	71 Å²	71	24%	0.238	34%	0.34	C	S	.	.			trans	-65.7	138.3	170.2	177.4	0	0	0	0	110	H694 A695	S692-H694 PolarHBondContact O-N 3.3Å; S692-H694 VanDerWaalsContact O-N 3.14Å; S692-H694 PolarHBondContact OG-N 2.97Å; S692-A695 WeakPolarHBondContact O-CB 3.37Å; S692-A695 PolarHBondContact O-N 3.11Å; S692-A695 VanDerWaalsContact O-N 3.1Å
693	P	77.6	Confident	86.8	Confident	108 Å²	108	75.5 Å²	75.5	70%	0.701	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-53.8	-29.3	169.5	-25.7	35.3	0	0	0	113.2
694	H	82.9	Confident	86.4	Confident	103 Å²	103	74 Å²	74	48%	0.477	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-83.2	-9.3	-178.1	-54.3	-77.8	0	0	0	114	T657 S692 F696 S697	T657-H694 HydrophobicContact CG2-CB 4.07Å; S692-H694 PolarHBondContact O-N 3.3Å; S692-H694 VanDerWaalsContact O-N 3.14Å; S692-H694 PolarHBondContact OG-N 2.97Å; H694-F696 PolarHBondContact O-N 2.85Å; H694-S697 PolarHBondContact O-N 2.89Å; H694-S697 PolarHBondContact O-OG 3.04Å
695	A	86.1	Confident	86.2	Confident	0 Å²	0	75 Å²	75	0%	0	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-62.9	-16.5	-178.7	0	0	0	0	0	114	V649 S692	V649-A695 HydrophobicContact CG1-CB 4.2Å; S692-A695 WeakPolarHBondContact O-CB 3.37Å; S692-A695 PolarHBondContact O-N 3.11Å; S692-A695 VanDerWaalsContact O-N 3.1Å
696	F	88.6	Confident	86.1	Confident	21 Å²	21	73.4 Å²	73.4	9%	0.092	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-134	21.5	178.7	-53.2	-70.1	0	0	0	112.4	V649 I654 L681 L691 H694 C698 I699 V705	V649-F696 HydrophobicContact CG1-CZ 4.41Å; I654-F696 HydrophobicContact CD1-CD1 4.31Å; I654-F696 HydrophobicContact CD1-CE1 3.78Å; L681-F696 HydrophobicContact CD1-CE1 3.69Å; L681-F696 HydrophobicContact CD1-CZ 3.7Å; L691-F696 HydrophobicContact CD1-CE2 4.34Å; H694-F696 PolarHBondContact O-N 2.85Å; F696-C698 VanDerWaalsContact C-N 3.29Å; F696-C698 PolarHBondContact O-N 2.75Å; F696-I699 HydrophobicContact CB-CD1 4.14Å; F696-I699 HydrophobicContact CB-CG1 4.47Å; F696-I699 HydrophobicContact CD1-CD1 3.88Å; F696-I699 HydrophobicContact CG-CD1 4.48Å; F696-I699 PolarHBondContact O-N 2.81Å; F696-V705 HydrophobicContact CD1-CG1 4.11Å; F696-V705 HydrophobicContact CD1-CG2 4.18Å; F696-V705 HydrophobicContact CE1-CG1 3.86Å; F696-V705 HydrophobicContact CE2-CG1 4.43Å; F696-V705 HydrophobicContact CG-CG1 4.49Å; F696-V705 HydrophobicContact CG-CG2 4.37Å; F696-V705 HydrophobicContact CZ-CG1 4.04Å
697	S	84.6	Confident	86	Confident	54 Å²	54	74.7 Å²	74.7	38%	0.378	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-40.7	-172.4	48.8	0	0	0	0	114.3	C655 H694 I699	C655-S697 VanDerWaalsContact CB-OG 3.31Å; C655-S697 WeakPolarHBondContact CB-OG 3.03Å; H694-S697 PolarHBondContact O-N 2.89Å; H694-S697 PolarHBondContact O-OG 3.04Å; S697-I699 VanDerWaalsContact C-N 3.28Å; S697-I699 PolarHBondContact O-N 2.8Å
698	C	82.8	Confident	86	Confident	21 Å²	21	78.4 Å²	78.4	14%	0.142	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-7.4	-178.4	72.4	0	0	0	0	114.7	C655 S674 F696 R700	C655-C698 WeakPolarHBondContact CA-SG 3.01Å; C655-C698 HydrophobicContact CB-CB 3.53Å; C655-C698 WeakPolarHBondContact CB-SG 3.49Å; C655-C698 VanDerWaalsContact SG-CA 3.56Å; C655-C698 WeakPolarHBondContact SG-CB 3Å; C655-C698 PolarHBondContact SG-N 2.97Å; C655-C698 CovalentContact SG-SG 2.03Å; C655-C698 PolarHBondContact SG-SG 2.91Å; S674-C698 WeakPolarHBondContact CB-O 3.38Å; S674-C698 WeakPolarHBondContact CB-SG 3.33Å; S674-C698 PolarHBondContact N-O 3.48Å; F696-C698 VanDerWaalsContact C-N 3.29Å; F696-C698 PolarHBondContact O-N 2.75Å; C698-R700 PolarHBondContact O-N 2.04Å
699	I	85.8	Confident	86.4	Confident	7 Å²	7	79.7 Å²	79.7	4%	0.036	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-91.4	98.8	-175.4	-53.7	-176.5	0	0	0	109.2	I654 L676 V679 F696 S697 S701 V705	I654-I699 HydrophobicContact CG2-CD1 4.38Å; L676-I699 HydrophobicContact CB-CD1 4.45Å; L676-I699 HydrophobicContact CB-CG1 4.24Å; L676-I699 HydrophobicContact CD1-CD1 4.15Å; L676-I699 HydrophobicContact CD1-CG1 4.23Å; V679-I699 HydrophobicContact CB-CD1 4.46Å; V679-I699 HydrophobicContact CG2-CD1 3.71Å; F696-I699 HydrophobicContact CB-CD1 4.14Å; F696-I699 HydrophobicContact CB-CG1 4.47Å; F696-I699 HydrophobicContact CD1-CD1 3.88Å; F696-I699 HydrophobicContact CG-CD1 4.48Å; F696-I699 PolarHBondContact O-N 2.81Å; S697-I699 VanDerWaalsContact C-N 3.28Å; S697-I699 PolarHBondContact O-N 2.8Å; I699-S701 PolarHBondContact O-N 2.77Å; I699-V705 HydrophobicContact CD1-CG2 3.76Å; I699-V705 HydrophobicContact CG2-CG2 4.1Å
700	R	77.1	Confident	86.8	Confident	182 Å²	182	70.4 Å²	70.4	69%	0.687	37%	0.366	S	S	*	.	S	Bend	trans	-48.1	-24.7	-177.6	-78.1	-173.3	161.2	171.3	3.5	116	D673 C698	D673-R700 HydrophobicContact CB-CG 4.23Å; D673-R700 VanDerWaalsContact CG-NE 3.31Å; D673-R700 IonicContact OD2-CZ 2.62Å; D673-R700 IonicContact OD2-NE 3.69Å; D673-R700 PolarHBondContact OD2-NE 3.09Å; D673-R700 IonicContact OD2-NH2 2.66Å; D673-R700 PolarHBondContact OD2-NH2 2.91Å; C698-R700 PolarHBondContact O-N 2.04Å
701	S	83.6	Confident	87.1	Confident	52 Å²	52	66.5 Å²	66.5	36%	0.364	35%	0.347	S	S	.	.			trans	-129.1	115.1	179.9	-180	0	0	0	0	111.7	I699 C703 S704	I699-S701 PolarHBondContact O-N 2.77Å; S701-C703 PolarHBondContact O-N 2.99Å; S701-C703 VanDerWaalsContact O-N 3.09Å; S701-C703 PolarHBondContact OG-N 3.46Å; S701-S704 WeakPolarHBondContact O-CB 3.4Å; S701-S704 PolarHBondContact O-N 2.87Å
702	Y	78.9	Confident	86.8	Confident	187 Å²	187	72.3 Å²	72.3	73%	0.733	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-60	-20.4	171.7	-67.3	-66.1	0	0	0	113.4	S704 V705	Y702-S704 PolarHBondContact O-N 2.82Å; Y702-V705 PolarHBondContact O-N 3.44Å
703	C	83.9	Confident	85.6	Confident	120 Å²	120	80.2 Å²	80.2	81%	0.811	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-72.2	-15.7	174.1	-63.6	0	0	0	0	113.1	S701 V705	S701-C703 PolarHBondContact O-N 2.99Å; S701-C703 VanDerWaalsContact O-N 3.09Å; S701-C703 PolarHBondContact OG-N 3.46Å; C703-V705 VanDerWaalsContact C-N 3.29Å
704	S	88.5	Confident	86.1	Confident	17 Å²	17	78.9 Å²	78.9	12%	0.119	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-73.7	-18.1	172.9	-66	0	0	0	0	113.1	E677 V679 S701 Y702	E677-S704 WeakPolarHBondContact O-CB 3.02Å; E677-S704 PolarHBondContact O-OG 2.89Å; V679-S704 PolarHBondContact N-O 2.84Å; S701-S704 WeakPolarHBondContact O-CB 3.4Å; S701-S704 PolarHBondContact O-N 2.87Å; Y702-S704 PolarHBondContact O-N 2.82Å
705	V	92.6	Very high	86.2	Confident	22 Å²	22	77.6 Å²	77.6	13%	0.133	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	98.1	-176.1	-170.5	0	0	0	0	111.3	V679 F696 I699 Y702 C703 L707	V679-V705 CarbonylContact O-C 3.56Å; V679-V705 WeakPolarHBondContact O-CA 3.42Å; F696-V705 HydrophobicContact CD1-CG1 4.11Å; F696-V705 HydrophobicContact CD1-CG2 4.18Å; F696-V705 HydrophobicContact CE1-CG1 3.86Å; F696-V705 HydrophobicContact CE2-CG1 4.43Å; F696-V705 HydrophobicContact CG-CG1 4.49Å; F696-V705 HydrophobicContact CG-CG2 4.37Å; F696-V705 HydrophobicContact CZ-CG1 4.04Å; I699-V705 HydrophobicContact CD1-CG2 3.76Å; I699-V705 HydrophobicContact CG2-CG2 4.1Å; Y702-V705 PolarHBondContact O-N 3.44Å; C703-V705 VanDerWaalsContact C-N 3.29Å; V705-L707 HydrophobicContact CG1-CB 4.45Å; V705-L707 PolarHBondContact O-N 2.91Å; V705-L707 VanDerWaalsContact O-N 3.07Å
706	V	94.4	Very high	86.2	Confident	48 Å²	48	81.9 Å²	81.9	29%	0.291	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	87.2	177.9	-172.2	0	0	0	0	109.7	V679 L681 E682	V679-V706 PolarHBondContact O-N 2.04Å; L681-V706 CarbonylContact C-O 3.13Å; L681-V706 PolarHBondContact N-O 3.01Å; E682-V706 HydrophobicContact CB-CG1 4.37Å; E682-V706 HydrophobicContact CG-CG1 4.4Å; E682-V706 PolarHBondContact N-O 2.85Å; E682-V706 VanDerWaalsContact N-O 3.1Å; E682-V706 WeakPolarHBondContact OE2-CG1 3.48Å
707	L	92.9	Very high	86.1	Confident	34 Å²	34	85.5 Å²	85.5	18%	0.178	43%	0.428	C	S	.	.			trans	-96	-7.9	-173.4	-173.9	58.2	0	0	0	114.6	L681 I686 T688 L691 V705 Q710	L681-L707 HydrophobicContact CB-CD1 4.15Å; L681-L707 HydrophobicContact CD1-CD1 4.46Å; I686-L707 HydrophobicContact CD1-CD1 4.24Å; I686-L707 HydrophobicContact CG2-CD1 4.4Å; T688-L707 HydrophobicContact CG2-CD1 4.39Å; T688-L707 HydrophobicContact CG2-CD2 3.92Å; T688-L707 HydrophobicContact CG2-CG 3.91Å; L691-L707 HydrophobicContact CD1-CD1 4.23Å; L691-L707 HydrophobicContact CD1-CD2 3.56Å; L691-L707 HydrophobicContact CD1-CG 4.49Å; V705-L707 HydrophobicContact CG1-CB 4.45Å; V705-L707 PolarHBondContact O-N 2.91Å; V705-L707 VanDerWaalsContact O-N 3.07Å; L707-Q710 WeakPolarHBondContact O-CG 3.42Å; L707-Q710 PolarHBondContact O-NE2 3.21Å
708	K	91.6	Very high	86.2	Confident	148 Å²	148	87.4 Å²	87.4	64%	0.643	43%	0.431	S	S	*	.			trans	-133.7	148.7	-174.1	-74.1	178.8	-178.1	169.6	0	112.1
709	P	95.1	Very high	86.4	Confident	83 Å²	83	91.9 Å²	91.9	54%	0.539	45%	0.45	S	S	.	.			cis	-74.4	171	1.5	31.8	-36.2	0	0	0	113.5	E682 N683	E682-P709 CarbonylContact C-O 3.41Å; E682-P709 WeakPolarHBondContact CA-O 2.98Å; N683-P709 PolarHBondContact N-O 2.83Å; N683-P709 WeakPolarHBondContact OD1-CG 3.05Å
710	Q	95.4	Very high	86.5	Confident	41 Å²	41	97.9 Å²	97.9	19%	0.192	48%	0.48	C	S	.	.			trans	-122.3	146.5	169.6	-67.8	-67	-45.9	0	0	108.4	L681 N684 T688 L707	L681-Q710 PolarHBondContact O-NE2 2.89Å; N684-Q710 VanDerWaalsContact CA-OE1 3.29Å; N684-Q710 VanDerWaalsContact CB-OE1 3.23Å; N684-Q710 PolarHBondContact O-OE1 2.04Å; N684-Q710 VanDerWaalsContact O-OE1 3.07Å; T688-Q710 HydrophobicContact CG2-CG 4.29Å; L707-Q710 WeakPolarHBondContact O-CG 3.42Å; L707-Q710 PolarHBondContact O-NE2 3.21Å
711	K	92.8	Very high	87.2	Confident	77 Å²	77	91.5 Å²	91.5	34%	0.335	46%	0.464	S	S	.	.			trans	-71.7	135.6	174.9	-63.4	167.7	179.5	146.9	0	109.2	N643 N644 N683 N684 Y685	N643-K711 PolarHBondContact O-NZ 3.38Å; N644-K711 PolarHBondContact O-NZ 3.45Å; N683-K711 VanDerWaalsContact O-CD 3.24Å; N683-K711 WeakPolarHBondContact O-CD 3.23Å; N683-K711 WeakPolarHBondContact O-CE 3.06Å; N683-K711 PolarHBondContact O-NZ 3.12Å; N684-K711 WeakPolarHBondContact O-CB 3.3Å; N684-K711 PolarHBondContact O-N 2.04Å; Y685-K711 HydrophobicContact CD1-CB 3.68Å; Y685-K711 WeakPolarHBondContact CD1-O 3.24Å; Y685-K711 HydrophobicContact CE1-CB 3.44Å; Y685-K711 VanDerWaalsContact CE1-CB 3.44Å; Y685-K711 HydrophobicContact CE1-CD 4.1Å; Y685-K711 HydrophobicContact CE1-CG 4.41Å; Y685-K711 HydrophobicContact CE2-CD 4.01Å; Y685-K711 HydrophobicContact CG-CB 4.38Å
712	I	82.3	Confident	87.5	Confident	159 Å²	159	94.8 Å²	94.8	82%	0.815	47%	0.472	S	S	*	.			trans	-84.1	144.6	170.4	-53.9	176.6	0	0	0	107.5
713	K	61.3	Low	88.3	Confident	201 Å²	201	86.4 Å²	86.4	87%	0.874	45%	0.448	S	S	*	.			trans	-85.1	0	172.4	-76.5	-176.1	177.4	175.4	0	111.5	Y685	Y685-K713 HydrophobicContact CD1-CG 3.84Å; Y685-K713 HydrophobicContact CE1-CG 4.27Å

Retrieved 713 of 713 residues in 133.8 ms (Link to these results)

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