A0A096M570_POEFO Loading...

Olfactomedin like 2B

AlphaFold DB , UniProt , Accession A0A096M570, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 724 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	47.3	Very low	40.1	Very low	240 Å²	240	183 Å²	183	100%	1.182	84%	0.842	S	S	*	*				0	166.9	0	-80.4	176.9	167.1	0	0	109.7
2	W	37.4	Very low	40.1	Very low	249 Å²	249	177.8 Å²	177.8	94%	0.943	83%	0.832	S	S	*	*			trans	53.1	77.1	167.6	-86.2	29.4	0	0	0	117.7
3	R	37.1	Very low	39.8	Very low	236 Å²	236	177.8 Å²	177.8	89%	0.891	83%	0.828	S	S	*	*	S	Bend	trans	-169	-28	135.9	-109.2	171.7	-170.8	-150.5	0.6	113.9	W5	R3-W5 PolarHBondContact O-N 3.17Å; R3-W5 VanDerWaalsContact O-N 3.11Å
4	M	36.4	Very low	39.4	Very low	189 Å²	189	172.4 Å²	172.4	93%	0.931	82%	0.818	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	5.4	-178.5	-141.6	166.4	-176.4	0	0	115.3
5	W	36.3	Very low	38.7	Very low	244 Å²	244	178.1 Å²	178.1	92%	0.924	83%	0.829	S	S	*	*	T	Hydrogen-bonded Turn	trans	-112.1	19.8	-173	-118.9	35.3	0	0	0	113.7	R3	R3-W5 PolarHBondContact O-N 3.17Å; R3-W5 VanDerWaalsContact O-N 3.11Å
6	R	42.5	Very low	38.5	Very low	220 Å²	220	173.6 Å²	173.6	83%	0.83	82%	0.817	S	S	*	*	S	Bend	trans	-122.1	2.9	-177.7	-109	-171.6	-177.5	-158.2	1.1	116.3
7	I	45	Very low	38.2	Very low	137 Å²	137	171.2 Å²	171.2	70%	0.703	82%	0.817	S	S	*	*	S	Bend	trans	-111.4	-32.8	-177.1	-60.9	178.7	0	0	0	112.3	S9	I7-S9 PolarHBondContact O-N 2.92Å
8	L	36.8	Very low	37.8	Very low	150 Å²	150	175.7 Å²	175.7	79%	0.785	82%	0.824	S	S	*	*	H	α-helix	trans	-64	-23.5	176.9	-108.3	73.8	0	0	0	114.1	V10	L8-V10 VanDerWaalsContact C-N 3.28Å; L8-V10 PolarHBondContact O-N 3.44Å
9	S	40	Very low	37.1	Very low	90 Å²	90	170.4 Å²	170.4	63%	0.629	82%	0.822	S	S	*	*	H	α-helix	trans	-77	-4.5	-175.3	-49.4	0	0	0	0	115.2	I7	I7-S9 PolarHBondContact O-N 2.92Å
10	V	44.6	Very low	36.7	Very low	106 Å²	106	169.5 Å²	169.5	64%	0.642	82%	0.821	S	S	*	*	H	α-helix	trans	-101.6	-31.9	-171.4	-177.4	0	0	0	0	113.1	L8	L8-V10 VanDerWaalsContact C-N 3.28Å; L8-V10 PolarHBondContact O-N 3.44Å
11	L	37.2	Very low	36.2	Very low	152 Å²	152	168.9 Å²	168.9	80%	0.796	82%	0.821	S	S	*	*	H	α-helix	trans	-88	-14.3	-176.1	-76.1	166.1	0	0	0	114.7	F13	L11-F13 PolarHBondContact O-N 2.96Å
12	V	40.3	Very low	35.2	Very low	120 Å²	120	160.8 Å²	160.8	73%	0.727	80%	0.799	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.6	-9.1	176.9	-178.5	0	0	0	0	112.4
13	F	36	Very low	34.8	Very low	179 Å²	179	157.6 Å²	157.6	79%	0.785	80%	0.8	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.9	14.5	-168.2	-128.5	-84.1	0	0	0	115.7	L11	L11-F13 PolarHBondContact O-N 2.96Å
14	C	35.1	Very low	34.3	Very low	102 Å²	102	151.2 Å²	151.2	69%	0.689	80%	0.798	S	S	*	*	S	Bend	trans	-125.6	-5.9	-174.1	-128.4	0	0	0	0	116
15	W	29.1	Very low	33.9	Very low	258 Å²	258	146.5 Å²	146.5	98%	0.977	79%	0.789	S	S	*	*	S	Bend	trans	-113.4	24.4	-179.3	-88.7	39.8	0	0	0	113.3
16	T	35.6	Very low	33.4	Very low	105 Å²	105	142.2 Å²	142.2	64%	0.644	78%	0.784	S	S	*	*	S	Bend	trans	-120.3	150.6	159.1	57.1	0	0	0	0	108.5
17	V	32.8	Very low	32.7	Very low	133 Å²	133	138.8 Å²	138.8	81%	0.806	79%	0.788	S	S	*	*	S	Bend	trans	76.3	72.8	-172.7	-165	0	0	0	0	115.6
18	R	31.6	Very low	31.8	Very low	252 Å²	252	137 Å²	137	95%	0.951	79%	0.787	S	S	*	*				179.8	134.3	121.3	-97.2	161.4	-177.5	-173.3	0.1	110.5
19	G	24.5	Very low	31.4	Very low	75 Å²	75	137.8 Å²	137.8	77%	0.773	79%	0.787	S	S	*	*			trans	163.7	52.1	-175.7	0	0	0	0	0	115.1
20	L	28.5	Very low	30.8	Very low	153 Å²	153	139.2 Å²	139.2	80%	0.801	79%	0.788	S	S	*	*			trans	-161.7	147.1	166.9	-112.1	147	0	0	0	109.3
21	D	27	Very low	29.9	Very low	156 Å²	156	143 Å²	143	83%	0.834	79%	0.79	S	S	*	*			trans	61.5	145.6	176.6	-48.5	-36	0	0	0	117.3
22	G	26.1	Very low	29.4	Very low	70 Å²	70	142 Å²	142	72%	0.722	78%	0.781	S	S	*	*			cis	156.8	109.5	-9.6	0	0	0	0	0	114.2
23	L	27.6	Very low	28.7	Very low	183 Å²	183	144 Å²	144	96%	0.958	78%	0.783	S	S	*	*			trans	32.4	112.5	157.1	-78.7	159.1	0	0	0	120.8
24	A	27.8	Very low	28.2	Very low	102 Å²	102	143.2 Å²	143.2	84%	0.843	79%	0.786	S	S	*	*			trans	-167.7	133.8	139.4	0	0	0	0	0	115.2
25	A	28.5	Very low	27.7	Very low	90 Å²	90	144.7 Å²	144.7	74%	0.744	79%	0.787	S	S	*	*			trans	21.7	142.2	148.8	0	0	0	0	0	125.8
26	D	24.6	Very low	27.6	Very low	153 Å²	153	139.5 Å²	139.5	82%	0.818	78%	0.778	S	S	*	*			trans	40.2	120.6	141.6	-61.6	-21.7	0	0	0	122.8
27	T	28.1	Very low	27.2	Very low	149 Å²	149	140.5 Å²	140.5	91%	0.914	78%	0.784	S	S	*	*				-156.3	178.2	99.3	-8.8	0	0	0	0	111.9
28	S	26.3	Very low	26.9	Very low	98 Å²	98	137.5 Å²	137.5	69%	0.685	78%	0.78	S	S	*	*			trans	-113.8	-178.4	-160.2	52.6	0	0	0	0	115.6
29	Q	28.2	Very low	27.5	Very low	167 Å²	167	131.3 Å²	131.3	78%	0.78	77%	0.772	S	S	*	*			trans	81.1	146.6	167.2	-54.3	-156.9	-95.5	0	0	117.5
30	D	26.6	Very low	27.6	Very low	121 Å²	121	137 Å²	137	65%	0.647	78%	0.775	S	S	*	*			cis	-164.3	160.3	-24.3	-116.7	-43.9	0	0	0	112.2
31	R	25.7	Very low	27.5	Very low	184 Å²	184	137.2 Å²	137.2	69%	0.694	77%	0.772	S	S	*	*			trans	54.4	135	152.9	-64.3	-179.8	79.7	126.7	10	123.8
32	E	27.2	Very low	27.4	Very low	131 Å²	131	137.7 Å²	137.7	61%	0.612	77%	0.774	S	S	*	*			trans	58.8	113.3	135.2	-70.1	161.4	175.2	0	0	119.9
33	E	26.3	Very low	27.5	Very low	163 Å²	163	138.2 Å²	138.2	76%	0.762	78%	0.779	S	S	*	*				70.3	112.4	84	-87.7	-150	125	0	0	115.4
34	L	26	Very low	27.5	Very low	163 Å²	163	138.8 Å²	138.8	85%	0.853	77%	0.774	S	S	*	*				-172.3	150.2	111.2	-101.6	161	0	0	0	112.3
35	N	24.9	Very low	28	Very low	132 Å²	132	139.7 Å²	139.7	71%	0.706	77%	0.771	S	S	*	*			trans	-88.1	153.7	173	-67.5	-74	0	0	0	110.9
36	L	26.7	Very low	28	Very low	149 Å²	149	140.6 Å²	140.6	78%	0.78	76%	0.764	S	S	*	*				176.9	137.2	115.5	-115.7	79.9	0	0	0	114.4
37	T	26.9	Very low	28.2	Very low	126 Å²	126	142.3 Å²	142.3	77%	0.773	76%	0.764	S	S	*	*			trans	52.4	137.8	146.4	53.8	0	0	0	0	123.4
38	G	25	Very low	28.1	Very low	70 Å²	70	139.3 Å²	139.3	72%	0.722	76%	0.762	S	S	*	*			trans	-88.5	-135.1	159.5	0	0	0	0	0	112
39	P	45.8	Very low	28.2	Very low	122 Å²	122	139.2 Å²	139.2	79%	0.792	77%	0.767	S	S	*	*			cis	-134.6	179.3	-7.3	43.1	-27.5	0	0	0	114.4
40	K	26.4	Very low	28.5	Very low	194 Å²	194	137.4 Å²	137.4	84%	0.843	77%	0.77	S	S	*	*			trans	149.8	165.6	150.5	-87.4	163.7	-180	178.6	0	110.7
41	E	25.9	Very low	28.5	Very low	158 Å²	158	136.7 Å²	136.7	74%	0.738	78%	0.775	S	S	*	*			cis	165.1	138.9	-41.8	-176.5	-179.5	-164.9	0	0	107.4
42	L	25.3	Very low	28.6	Very low	167 Å²	167	134.4 Å²	134.4	87%	0.874	78%	0.781	S	S	*	*			trans	60.3	130.3	166.8	-106.7	64.8	0	0	0	120.9
43	G	28.1	Very low	28.5	Very low	80 Å²	80	131.5 Å²	131.5	83%	0.825	79%	0.786	S	S	*	*			trans	169.6	94.8	168.4	0	0	0	0	0	115.2
44	K	26.6	Very low	28.5	Very low	196 Å²	196	135.7 Å²	135.7	85%	0.852	80%	0.795	S	S	*	*			trans	-137.9	151.4	167.2	-119.6	-175.6	-179.1	-177.3	0	106.9
45	P	38.6	Very low	28.5	Very low	120 Å²	120	131.1 Å²	131.1	78%	0.779	78%	0.781	S	S	*	*				-153.5	166.3	67.2	41.5	-21.5	0	0	0	118.9
46	D	28.2	Very low	28.5	Very low	110 Å²	110	132.2 Å²	132.2	59%	0.588	79%	0.787	S	S	*	*			trans	44.5	129.5	145.3	-87.5	22.7	0	0	0	127.3
47	K	29.7	Very low	28.5	Very low	189 Å²	189	130.4 Å²	130.4	82%	0.822	78%	0.778	S	S	*	*			trans	77.8	119.6	132.7	-73	171.5	177.4	129.5	0	121.7
48	G	26.3	Very low	28.5	Very low	85 Å²	85	134.2 Å²	134.2	88%	0.876	78%	0.778	S	S	*	*			trans	158.9	96	159.1	0	0	0	0	0	113.1
49	A	28.4	Very low	28.5	Very low	96 Å²	96	134.7 Å²	134.7	79%	0.793	78%	0.783	S	S	*	*			trans	-108.9	160.4	174	0	0	0	0	0	110.8
50	P	34.3	Very low	27.6	Very low	129 Å²	129	137 Å²	137	84%	0.838	78%	0.784	S	S	*	*				-137.6	-179.9	90.6	34.1	-18.1	0	0	0	115.4
51	S	26.8	Very low	27.7	Very low	106 Å²	106	139 Å²	139	74%	0.741	79%	0.786	S	S	*	*			trans	-74.5	171.3	-176.7	49	0	0	0	0	113.4
52	T	26.3	Very low	27.8	Very low	136 Å²	136	138.9 Å²	138.9	83%	0.834	79%	0.79	S	S	*	*				-170.1	157.1	57.2	49.6	0	0	0	0	115.1
53	G	25.7	Very low	27.8	Very low	70 Å²	70	135.1 Å²	135.1	72%	0.722	78%	0.784	S	S	*	*			trans	101	121.8	161.8	0	0	0	0	0	114.3
54	R	25.8	Very low	28.1	Very low	251 Å²	251	137.1 Å²	137.1	95%	0.947	78%	0.782	S	S	*	*				68.3	135	61.4	-79.2	-167.2	165.2	173.5	-4.9	114.1
55	A	26.1	Very low	28.2	Very low	68 Å²	68	132.8 Å²	132.8	56%	0.562	78%	0.783	S	S	*	*			cis	-170.2	167.3	-14.8	0	0	0	0	0	110.5
56	D	26.6	Very low	27.5	Very low	154 Å²	154	130.3 Å²	130.3	82%	0.824	78%	0.779	S	S	*	*			trans	56.6	160.6	149.2	-44.1	-29.9	0	0	0	120
57	D	26.7	Very low	27.4	Very low	111 Å²	111	130.3 Å²	130.3	59%	0.594	79%	0.788	S	S	*	*			cis	-151	166.2	-5.5	-156.5	-9.1	0	0	0	111.5
58	R	27.1	Very low	27.2	Very low	207 Å²	207	129.9 Å²	129.9	78%	0.781	79%	0.793	S	S	*	*			trans	43.8	131	147.4	-105.1	168	-83.7	-143.7	-5.4	123.1
59	G	24.9	Very low	27.1	Very low	80 Å²	80	134.1 Å²	134.1	83%	0.825	79%	0.79	S	S	*	*			trans	-121.7	136.4	151.7	0	0	0	0	0	110.2
60	Q	26.9	Very low	27.6	Very low	171 Å²	171	133.9 Å²	133.9	80%	0.799	78%	0.78	S	S	*	*			trans	-103.1	153.1	-163.3	-157.1	159.7	-22.2	0	0	112.8
61	R	28.6	Very low	27.3	Very low	234 Å²	234	134.5 Å²	134.5	88%	0.883	78%	0.782	S	S	*	*			trans	-92.1	146.3	159.9	-67.1	-175.4	-175.6	177.2	2.9	108.8
62	D	26.6	Very low	27.5	Very low	156 Å²	156	136.6 Å²	136.6	83%	0.834	79%	0.785	S	S	*	*			trans	-162.2	158.3	144.7	-105.6	-36.6	0	0	0	112.1
63	A	25.6	Very low	27.8	Very low	89 Å²	89	134.7 Å²	134.7	74%	0.736	78%	0.783	S	S	*	*			trans	-138.9	155.1	176.6	0	0	0	0	0	110.9
64	P	34.7	Very low	28.6	Very low	122 Å²	122	136.1 Å²	136.1	79%	0.792	78%	0.78	S	S	*	*			trans	-101.5	131.9	-150.5	35.9	-34.9	0	0	0	118
65	A	27.6	Very low	29.4	Very low	105 Å²	105	130.8 Å²	130.8	87%	0.868	77%	0.769	S	S	*	*				56.4	144.8	123.8	0	0	0	0	0	123.5
66	G	25.8	Very low	29.9	Very low	68 Å²	68	134.5 Å²	134.5	70%	0.701	78%	0.775	S	S	*	*			trans	156.8	44.2	165.8	0	0	0	0	0	116.5
67	S	24.6	Very low	30.6	Very low	110 Å²	110	134.2 Å²	134.2	77%	0.769	77%	0.774	S	S	*	*				70	101	90.5	75.2	0	0	0	0	117.8
68	L	25.3	Very low	31.5	Very low	179 Å²	179	135 Å²	135	94%	0.937	77%	0.774	S	S	*	*			trans	-162.7	156.2	144.5	-110.6	159.5	0	0	0	111
69	Q	25.3	Very low	32.2	Very low	174 Å²	174	130.5 Å²	130.5	81%	0.813	77%	0.765	S	S	*	*			trans	-158.8	173	-167	-102.2	-169.1	-11.1	0	0	108.8
70	P	38	Very low	32.9	Very low	91 Å²	91	132.4 Å²	132.4	59%	0.591	76%	0.756	S	S	*	*			cis	-136	175.8	-31.5	38.4	-22.8	0	0	0	113
71	T	27.3	Very low	33.8	Very low	143 Å²	143	128.3 Å²	128.3	88%	0.877	74%	0.74	S	S	*	*			trans	-132	142.3	152.3	47.2	0	0	0	0	109.5
72	N	31.3	Very low	34.5	Very low	149 Å²	149	123 Å²	123	80%	0.797	73%	0.725	S	S	*	*			trans	-110.8	172.1	-171.2	-69	-33.8	0	0	0	112.6
73	A	33.9	Very low	35.2	Very low	96 Å²	96	121.8 Å²	121.8	79%	0.793	71%	0.714	S	S	*	*			trans	90.9	146.4	178.2	0	0	0	0	0	113.9
74	P	42.1	Very low	36.1	Very low	101 Å²	101	122.1 Å²	122.1	66%	0.656	70%	0.704	S	S	*	*				-133.1	176.3	-89.3	29.7	-9	0	0	0	115.6	E76	P74-E76 PolarHBondContact O-N 3.38Å; P74-E76 VanDerWaalsContact O-N 3.13Å
75	L	41.7	Very low	36.5	Very low	139 Å²	139	120.1 Å²	120.1	73%	0.728	69%	0.685	S	S	*	*			trans	-74.9	88.7	179.6	-65.1	153	0	0	0	111.5	E78	L75-E78 HydrophobicContact CD2-CB 4.45Å; L75-E78 WeakPolarHBondContact CD2-OE2 3.49Å
76	E	37.8	Very low	37.2	Very low	145 Å²	145	120 Å²	120	68%	0.678	67%	0.669	S	S	*	*	S	Bend	trans	-116.8	-44.4	169.1	-68.1	177.6	143.1	0	0	110.7	P74 E78 L79	P74-E76 PolarHBondContact O-N 3.38Å; P74-E76 VanDerWaalsContact O-N 3.13Å; E76-E78 PolarHBondContact O-N 2.98Å; E76-E78 VanDerWaalsContact O-N 3.1Å; E76-L79 PolarHBondContact O-N 2.94Å
77	D	40.2	Very low	37.8	Very low	149 Å²	149	120.5 Å²	120.5	80%	0.797	66%	0.662	S	S	*	*	H	α-helix	trans	-54.3	-31	175.8	-70.2	-31.1	0	0	0	114.5	N81	D77-N81 WeakPolarHBondContact O-CB 3.43Å; D77-N81 PolarHBondContact O-N 2.86Å
78	E	45.4	Very low	38.5	Very low	127 Å²	127	121.5 Å²	121.5	59%	0.593	65%	0.654	S	S	*	*	H	α-helix	trans	-81.4	-15.5	-173.1	-161.2	162.5	-168.9	0	0	113.2	L75 E76	L75-E78 HydrophobicContact CD2-CB 4.45Å; L75-E78 WeakPolarHBondContact CD2-OE2 3.49Å; E76-E78 PolarHBondContact O-N 2.98Å; E76-E78 VanDerWaalsContact O-N 3.1Å
79	L	42.6	Very low	39.2	Very low	113 Å²	113	119.7 Å²	119.7	59%	0.592	65%	0.645	S	S	*	*	H	α-helix	trans	-93.8	-40.6	178.7	-149.6	152.8	0	0	0	111.3	E76 N81 Q82 E83	E76-L79 PolarHBondContact O-N 2.94Å; L79-N81 PolarHBondContact O-N 3.36Å; L79-Q82 WeakPolarHBondContact O-CB 3.47Å; L79-Q82 PolarHBondContact O-N 3.06Å; L79-E83 PolarHBondContact O-N 2.74Å
80	D	38.5	Very low	39.8	Very low	119 Å²	119	117.6 Å²	117.6	64%	0.636	64%	0.639	S	S	*	*	H	α-helix	trans	-55.5	-37.8	166.7	-90.1	21.3	0	0	0	111.2	Q82 E83 N84	D80-Q82 VanDerWaalsContact C-N 3.26Å; D80-Q82 PolarHBondContact O-N 3.4Å; D80-E83 PolarHBondContact O-N 2.85Å; D80-N84 WeakPolarHBondContact O-CB 3.37Å; D80-N84 PolarHBondContact O-N 3.3Å
81	N	46.7	Very low	39.7	Very low	86 Å²	86	114.3 Å²	114.3	46%	0.46	62%	0.621	S	S	.	*	H	α-helix	trans	-64	-28.1	176.1	-167.3	52.8	0	0	0	113.2	D77 L79 I85	D77-N81 WeakPolarHBondContact O-CB 3.43Å; D77-N81 PolarHBondContact O-N 2.86Å; L79-N81 PolarHBondContact O-N 3.36Å; N81-I85 WeakPolarHBondContact O-CD1 3.31Å; N81-I85 VanDerWaalsContact O-CG1 3.27Å; N81-I85 WeakPolarHBondContact O-CG1 3.46Å; N81-I85 PolarHBondContact O-N 3.1Å
82	Q	44.2	Very low	40.3	Very low	123 Å²	123	113.6 Å²	113.6	58%	0.575	61%	0.612	S	S	*	*	H	α-helix	trans	-75.5	-39	174.6	-69.4	-173.1	-15.2	0	0	112.3	L79 D80 N84 I85 I86	L79-Q82 WeakPolarHBondContact O-CB 3.47Å; L79-Q82 PolarHBondContact O-N 3.06Å; D80-Q82 VanDerWaalsContact C-N 3.26Å; D80-Q82 PolarHBondContact O-N 3.4Å; Q82-N84 VanDerWaalsContact C-N 3.28Å; Q82-N84 PolarHBondContact O-N 3.42Å; Q82-I85 PolarHBondContact O-N 3.44Å; Q82-I86 WeakPolarHBondContact O-CG1 3.42Å; Q82-I86 PolarHBondContact O-N 3.11Å; Q82-I86 VanDerWaalsContact O-N 3.07Å
83	E	41	Very low	40.6	Very low	130 Å²	130	115 Å²	115	61%	0.607	61%	0.608	S	S	*	*	H	α-helix	trans	-65.4	-34	171.1	-66.1	-154.8	159.5	0	0	111.9	L79 D80 I86 S87	L79-E83 PolarHBondContact O-N 2.74Å; D80-E83 PolarHBondContact O-N 2.85Å; E83-I86 PolarHBondContact O-N 3.25Å; E83-S87 WeakPolarHBondContact O-CB 3.44Å; E83-S87 PolarHBondContact O-N 3.46Å; E83-S87 PolarHBondContact O-OG 2.87Å
84	N	43	Very low	41.4	Very low	96 Å²	96	114.3 Å²	114.3	51%	0.513	59%	0.59	S	S	.	*	H	α-helix	trans	-64.2	-44.3	174.1	-157.3	14.8	0	0	0	111.3	D80 Q82 I86 S87 Q88	D80-N84 WeakPolarHBondContact O-CB 3.37Å; D80-N84 PolarHBondContact O-N 3.3Å; Q82-N84 VanDerWaalsContact C-N 3.28Å; Q82-N84 PolarHBondContact O-N 3.42Å; N84-I86 PolarHBondContact O-N 3.15Å; N84-S87 CarbonylContact O-C 3.54Å; N84-S87 WeakPolarHBondContact O-CB 3.33Å; N84-S87 PolarHBondContact O-N 2.93Å; N84-Q88 WeakPolarHBondContact O-CB 3.23Å; N84-Q88 PolarHBondContact O-N 2.92Å
85	I	43.1	Very low	41.7	Very low	79 Å²	79	116.3 Å²	116.3	41%	0.405	59%	0.589	S	S	.	*	H	α-helix	trans	-61.8	-41.4	175.2	-73.1	163.4	0	0	0	111.8	N81 Q82 Q88 L89	N81-I85 WeakPolarHBondContact O-CD1 3.31Å; N81-I85 VanDerWaalsContact O-CG1 3.27Å; N81-I85 WeakPolarHBondContact O-CG1 3.46Å; N81-I85 PolarHBondContact O-N 3.1Å; Q82-I85 PolarHBondContact O-N 3.44Å; I85-Q88 PolarHBondContact O-N 2.75Å; I85-L89 HydrophobicContact CG2-CD1 3.99Å; I85-L89 WeakPolarHBondContact O-CB 3.47Å; I85-L89 PolarHBondContact O-N 2.72Å
86	I	42.9	Very low	42.5	Very low	103 Å²	103	111.7 Å²	111.7	53%	0.528	57%	0.566	S	S	.	*	H	α-helix	trans	-65.4	-41.1	175.4	-67.3	169	0	0	0	110.7	Q82 E83 N84 Q88 L89 L90	Q82-I86 WeakPolarHBondContact O-CG1 3.42Å; Q82-I86 PolarHBondContact O-N 3.11Å; Q82-I86 VanDerWaalsContact O-N 3.07Å; E83-I86 PolarHBondContact O-N 3.25Å; N84-I86 PolarHBondContact O-N 3.15Å; I86-Q88 PolarHBondContact O-N 2.78Å; I86-L89 PolarHBondContact O-N 2.92Å; I86-L90 HydrophobicContact CG2-CD1 4.13Å; I86-L90 WeakPolarHBondContact O-CB 3.18Å; I86-L90 PolarHBondContact O-N 2.87Å
87	S	39.1	Very low	43.6	Very low	79 Å²	79	111.8 Å²	111.8	55%	0.552	56%	0.564	S	S	*	*	H	α-helix	trans	-64.5	-27	174.8	-58.5	0	0	0	0	112.8	E83 N84 G91	E83-S87 WeakPolarHBondContact O-CB 3.44Å; E83-S87 PolarHBondContact O-N 3.46Å; E83-S87 PolarHBondContact O-OG 2.87Å; N84-S87 CarbonylContact O-C 3.54Å; N84-S87 WeakPolarHBondContact O-CB 3.33Å; N84-S87 PolarHBondContact O-N 2.93Å; S87-G91 WeakPolarHBondContact O-CA 3.46Å; S87-G91 PolarHBondContact O-N 2.88Å; S87-G91 VanDerWaalsContact O-N 3.08Å
88	Q	39.4	Very low	45	Very low	130 Å²	130	108.3 Å²	108.3	61%	0.607	55%	0.549	S	S	*	.	H	α-helix	trans	-83.9	-37.6	177.4	-160.7	164.9	12.3	0	0	112	N84 I85 I86 G91	N84-Q88 WeakPolarHBondContact O-CB 3.23Å; N84-Q88 PolarHBondContact O-N 2.92Å; I85-Q88 PolarHBondContact O-N 2.75Å; I86-Q88 PolarHBondContact O-N 2.78Å; Q88-G91 WeakPolarHBondContact O-CA 3.06Å; Q88-G91 PolarHBondContact O-N 2.79Å
89	L	39	Very low	46.3	Very low	141 Å²	141	106.5 Å²	106.5	74%	0.738	54%	0.54	S	S	*	.	H	α-helix	trans	-65.5	-36	171.3	-89.9	157.1	0	0	0	113.2	I85 I86 G91	I85-L89 HydrophobicContact CG2-CD1 3.99Å; I85-L89 WeakPolarHBondContact O-CB 3.47Å; I85-L89 PolarHBondContact O-N 2.72Å; I86-L89 PolarHBondContact O-N 2.92Å; L89-G91 VanDerWaalsContact C-N 3.25Å
90	L	37.7	Very low	48	Very low	131 Å²	131	104.3 Å²	104.3	69%	0.686	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-8.5	168.3	-69	169.9	0	0	0	112.7	I86	I86-L90 HydrophobicContact CG2-CD1 4.13Å; I86-L90 WeakPolarHBondContact O-CB 3.18Å; I86-L90 PolarHBondContact O-N 2.87Å
91	G	36.2	Very low	49.7	Very low	22 Å²	22	101.6 Å²	101.6	23%	0.227	53%	0.525	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-38.4	-173.8	0	0	0	0	0	113.1	S87 Q88 L89 Y93 K95	S87-G91 WeakPolarHBondContact O-CA 3.46Å; S87-G91 PolarHBondContact O-N 2.88Å; S87-G91 VanDerWaalsContact O-N 3.08Å; Q88-G91 WeakPolarHBondContact O-CA 3.06Å; Q88-G91 PolarHBondContact O-N 2.79Å; L89-G91 VanDerWaalsContact C-N 3.25Å; G91-Y93 PolarHBondContact O-N 2.85Å; G91-K95 WeakPolarHBondContact O-CE 3.45Å
92	D	39.7	Very low	51	Low	128 Å²	128	99.2 Å²	99.2	68%	0.684	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.5	18.9	-167.5	-69.6	-20.4	0	0	0	115.2	D94 K95	D92-D94 PolarHBondContact O-N 2.95Å; D92-K95 IonicContact OD1-NZ 2.68Å; D92-K95 PolarHBondContact OD1-NZ 3.34Å
93	Y	39.2	Very low	52.4	Low	179 Å²	179	98.2 Å²	98.2	70%	0.702	53%	0.527	S	S	*	.	S	Bend	trans	-74.7	107.5	159.3	-108.3	-88.3	0	0	0	110.1	G91 K95	G91-Y93 PolarHBondContact O-N 2.85Å; Y93-K95 PolarHBondContact O-N 3.17Å; Y93-K95 VanDerWaalsContact O-N 3.11Å
94	D	49.8	Very low	54.1	Low	80 Å²	80	95.2 Å²	95.2	43%	0.428	52%	0.515	S	S	.	.			trans	8.3	82.7	172.5	-100.4	-31.6	0	0	0	116.3	D92 V96 P154 S156	D92-D94 PolarHBondContact O-N 2.95Å; D94-V96 PolarHBondContact O-N 3.46Å; D94-P154 HydrophobicContact CB-CB 4.19Å; D94-P154 HydrophobicContact CB-CG 3.84Å; D94-P154 WeakPolarHBondContact OD1-CG 3.35Å; D94-S156 VanDerWaalsContact OD2-CB 3.23Å; D94-S156 WeakPolarHBondContact OD2-CB 3.37Å; D94-S156 PolarHBondContact OD2-OG 3.48Å
95	K	49.3	Very low	55.8	Low	143 Å²	143	91.4 Å²	91.4	62%	0.622	50%	0.496	S	S	*	.			trans	-60.4	111	-174.8	-68.9	170.3	-167.3	159.6	0	111	G91 D92 Y93 K97	G91-K95 WeakPolarHBondContact O-CE 3.45Å; D92-K95 IonicContact OD1-NZ 2.68Å; D92-K95 PolarHBondContact OD1-NZ 3.34Å; Y93-K95 PolarHBondContact O-N 3.17Å; Y93-K95 VanDerWaalsContact O-N 3.11Å; K95-K97 PolarHBondContact O-N 3.27Å
96	V	58.7	Low	57.5	Low	43 Å²	43	92.1 Å²	92.1	26%	0.261	50%	0.503	S	S	.	.			trans	-48.6	113.2	173.7	-174.8	0	0	0	0	109.5	D94 T98 C109 V111 V137 C151 M152 A153	D94-V96 PolarHBondContact O-N 3.46Å; V96-T98 WeakPolarHBondContact O-CG2 3.12Å; V96-T98 PolarHBondContact O-N 3.06Å; V96-C109 HydrophobicContact CG1-CB 3.91Å; V96-V111 HydrophobicContact CG2-CG2 3.47Å; V96-V111 VanDerWaalsContact CG2-CG2 3.47Å; V96-V137 HydrophobicContact CG1-CG1 4.44Å; V96-C151 HydrophobicContact CG1-CB 4.25Å; V96-M152 CarbonylContact C-O 3.56Å; V96-A153 HydrophobicContact CG2-CB 4.42Å
97	K	59.8	Low	59.2	Low	147 Å²	147	88.3 Å²	88.3	64%	0.639	49%	0.486	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	123.2	-176.2	-170.7	172.7	-177.6	178.7	0	109.1	K95 M152	K95-K97 PolarHBondContact O-N 3.27Å; K97-M152 HydrophobicContact CD-CE 4.33Å; K97-M152 HydrophobicContact CG-CE 4.45Å; K97-M152 PolarHBondContact N-O 3.42Å; K97-M152 PolarHBondContact O-N 3.03Å
98	T	70.6	Confident	61	Low	76 Å²	76	93.2 Å²	93.2	47%	0.466	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	141.7	-179.7	83.3	0	0	0	0	109.6	V96 C109 V150	V96-T98 WeakPolarHBondContact O-CG2 3.12Å; V96-T98 PolarHBondContact O-N 3.06Å; T98-C109 HydrophobicContact CG2-CB 4.4Å; T98-C109 WeakPolarHBondContact CG2-SG 3.46Å; T98-V150 WeakPolarHBondContact CA-O 3.4Å
99	E	71.8	Confident	62.5	Low	89 Å²	89	88.4 Å²	88.4	42%	0.416	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	111.5	175.6	-169.1	-176	-136.8	0	0	109.2	K148 C149 V150	E99-K148 IonicContact OE1-NZ 3.54Å; E99-K148 VanDerWaalsContact OE2-CE 3.26Å; E99-K148 WeakPolarHBondContact OE2-CE 3.38Å; E99-K148 IonicContact OE2-NZ 3.28Å; E99-K148 PolarHBondContact OE2-NZ 3.15Å; E99-C149 CarbonylContact O-C 3.54Å; E99-C149 WeakPolarHBondContact O-CA 3.31Å; E99-V150 PolarHBondContact N-O 2.97Å; E99-V150 PolarHBondContact O-N 3.45Å
100	S	77.8	Confident	63.9	Low	67 Å²	67	83.8 Å²	83.8	47%	0.469	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	150	179.4	67.4	0	0	0	0	111.7	C107 K148	S100-C107 WeakPolarHBondContact CB-SG 3.42Å; S100-K148 CarbonylContact C-O 3.57Å; S100-K148 WeakPolarHBondContact CA-O 3.49Å
101	S	74.5	Confident	65.1	Low	62 Å²	62	80.3 Å²	80.3	43%	0.434	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	126.3	171.9	179.1	0	0	0	0	109.6	K147 K148	S101-K147 WeakPolarHBondContact O-CA 3.38Å; S101-K147 WeakPolarHBondContact O-CB 3.4Å; S101-K147 PolarHBondContact O-N 2.96Å; S101-K148 PolarHBondContact N-O 2.96Å; S101-K148 PolarHBondContact O-N 3.28Å
102	G	74	Confident	66.3	Low	35 Å²	35	84.9 Å²	84.9	36%	0.361	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	155.4	155.8	-174.1	0	0	0	0	0	112.2	D145	G102-D145 WeakPolarHBondContact CA-O 3.5Å
103	S	74	Confident	67.2	Low	103 Å²	103	83.2 Å²	83.2	72%	0.72	44%	0.44	S	S	*	.	S	Bend	trans	-78.1	-24.3	-176.6	54.7	0	0	0	0	114.8	D145	S103-D145 WeakPolarHBondContact CB-OD2 3.29Å; S103-D145 PolarHBondContact N-OD2 2.95Å; S103-D145 WeakPolarHBondContact OG-CB 3.45Å; S103-D145 VanDerWaalsContact OG-CG 3.31Å; S103-D145 PolarHBondContact OG-OD2 2.83Å
104	D	77.3	Confident	68.3	Low	67 Å²	67	76.6 Å²	76.6	36%	0.358	42%	0.419	S	S	.	.	S	Bend	trans	-127.9	14.9	174.5	73.1	-12.9	0	0	0	113.4	V106 G143 T144 D145	D104-V106 PolarHBondContact O-N 2.95Å; D104-G143 WeakPolarHBondContact OD1-CA 3.29Å; D104-T144 PolarHBondContact OD1-N 3.18Å; D104-T144 PolarHBondContact OD2-N 3Å; D104-T144 PolarHBondContact OD2-OG1 2.88Å; D104-D145 PolarHBondContact OD1-N 2.85Å
105	C	79	Confident	68.5	Low	16 Å²	16	80 Å²	80	11%	0.108	43%	0.43	C	S	.	.			trans	-82.5	106.8	-165.6	-170.5	0	0	0	0	114.2	C146	C105-C146 WeakPolarHBondContact CA-SG 3.41Å; C105-C146 HydrophobicContact CB-CB 3.92Å; C105-C146 WeakPolarHBondContact CB-SG 3.46Å; C105-C146 WeakPolarHBondContact SG-CA 3.41Å; C105-C146 WeakPolarHBondContact SG-CB 3.1Å; C105-C146 CovalentContact SG-SG 2.04Å; C105-C146 PolarHBondContact SG-SG 3.44Å
106	V	77.9	Confident	68.9	Low	93 Å²	93	80.3 Å²	80.3	56%	0.564	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.8	171	-175.7	0	0	0	0	110	D104 T141 K142	D104-V106 PolarHBondContact O-N 2.95Å; V106-T141 CarbonylContact O-C 3.48Å; V106-T141 WeakPolarHBondContact O-CA 3.17Å; V106-K142 HydrophobicContact CB-CB 4.43Å; V106-K142 WeakPolarHBondContact CB-O 3.49Å; V106-K142 PolarHBondContact N-O 2.76Å; V106-K142 PolarHBondContact O-N 2.76Å
107	C	77.9	Confident	68.7	Low	23 Å²	23	82.2 Å²	82.2	16%	0.155	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.9	176.3	-75.3	0	0	0	0	111.3	S100 C149	S100-C107 WeakPolarHBondContact CB-SG 3.42Å; C107-C149 HydrophobicContact CB-CB 4.47Å; C107-C149 WeakPolarHBondContact CB-SG 3.48Å; C107-C149 VanDerWaalsContact SG-CA 3.51Å; C107-C149 WeakPolarHBondContact SG-CB 3.32Å; C107-C149 CovalentContact SG-SG 2.02Å; C107-C149 PolarHBondContact SG-SG 2.96Å
108	R	76.9	Confident	68.8	Low	183 Å²	183	77.5 Å²	77.5	69%	0.691	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.9	122.7	174.4	-169.8	176.7	-169.2	170.2	4.7	110.3	I140	R108-I140 HydrophobicContact CB-CB 4.45Å; R108-I140 PolarHBondContact N-O 3.29Å; R108-I140 PolarHBondContact O-N 3.25Å
109	C	70.9	Confident	68.5	Low	28 Å²	28	74.6 Å²	74.6	19%	0.189	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	137.2	177.3	-54.8	0	0	0	0	110.2	V96 T98 V137 E138 C151	V96-C109 HydrophobicContact CG1-CB 3.91Å; T98-C109 HydrophobicContact CG2-CB 4.4Å; T98-C109 WeakPolarHBondContact CG2-SG 3.46Å; C109-V137 HydrophobicContact CB-CG1 4.45Å; C109-E138 CarbonylContact C-O 3.57Å; C109-E138 WeakPolarHBondContact CA-O 3.23Å; C109-C151 VanDerWaalsContact CA-SG 3.53Å; C109-C151 HydrophobicContact CB-CB 3.78Å; C109-C151 WeakPolarHBondContact CB-SG 3.42Å; C109-C151 WeakPolarHBondContact SG-CB 3.38Å; C109-C151 CovalentContact SG-SG 2.02Å; C109-C151 PolarHBondContact SG-SG 2.86Å
110	V	68.3	Low	67.9	Low	44 Å²	44	74.5 Å²	74.5	27%	0.267	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	107	176.8	179.3	0	0	0	0	108.2	R112 E138 I140	V110-R112 HydrophobicContact CG1-CG 4.39Å; V110-E138 HydrophobicContact CB-CB 4.34Å; V110-E138 PolarHBondContact N-O 3.01Å; V110-E138 PolarHBondContact O-N 2.71Å; V110-I140 HydrophobicContact CG2-CD1 3.87Å
111	V	64.3	Low	66.9	Low	59 Å²	59	80 Å²	80	36%	0.358	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	133.8	174.4	-174.9	0	0	0	0	109.1	V96 Y135 T136 V137	V96-V111 HydrophobicContact CG2-CG2 3.47Å; V96-V111 VanDerWaalsContact CG2-CG2 3.47Å; V111-Y135 HydrophobicContact CG1-CD2 4.27Å; V111-Y135 HydrophobicContact CG1-CG 4Å; V111-T136 CarbonylContact C-O 3.52Å; V111-T136 WeakPolarHBondContact CA-O 3.36Å; V111-V137 HydrophobicContact CG2-CG1 4.2Å; V111-V137 HydrophobicContact CG2-CG2 4.2Å
112	R	60.4	Low	66.2	Low	118 Å²	118	80.4 Å²	80.4	45%	0.445	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.1	168.8	-56.2	-165.2	-168.3	109.3	7.9	110	V110 Y135 T136 E138	V110-R112 HydrophobicContact CG1-CG 4.39Å; R112-Y135 WeakPolarHBondContact O-CA 3.42Å; R112-T136 PolarHBondContact N-O 3.41Å; R112-T136 PolarHBondContact O-N 2.95Å; R112-T136 PolarHBondContact O-OG1 2.77Å; R112-E138 IonicContact CZ-OE1 3.21Å; R112-E138 IonicContact CZ-OE2 2.96Å; R112-E138 VanDerWaalsContact CZ-OE2 3.29Å; R112-E138 IonicContact NH1-OE1 2.69Å; R112-E138 PolarHBondContact NH1-OE1 2.64Å; R112-E138 IonicContact NH1-OE2 3.05Å; R112-E138 PolarHBondContact NH1-OE2 3.09Å; R112-E138 VanDerWaalsContact NH2-CD 3.34Å; R112-E138 IonicContact NH2-OE1 3.76Å; R112-E138 PolarHBondContact NH2-OE1 2.93Å; R112-E138 IonicContact NH2-OE2 2.66Å; R112-E138 PolarHBondContact NH2-OE2 2.98Å
113	P	59	Low	65.2	Low	92 Å²	92	85.6 Å²	85.6	60%	0.597	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.3	156.8	173	29.8	-35	0	0	0	110.9
114	V	61.9	Low	64	Low	41 Å²	41	87.7 Å²	87.7	25%	0.248	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-62.7	138	174	175.9	0	0	0	0	110.3	D118 I122 F134	V114-D118 HydrophobicContact CG1-CB 4.08Å; V114-I122 HydrophobicContact CG1-CD1 4.48Å; V114-F134 PolarHBondContact N-O 3.12Å
115	K	55.1	Low	62.7	Low	152 Å²	152	87.1 Å²	87.1	66%	0.661	44%	0.442	S	S	*	.	P	Polyproline II helix	trans	-73.9	144.4	176.7	-65.4	-179.5	179.7	179.7	0	110.6	S117 D118	K115-S117 WeakPolarHBondContact CB-OG 3.36Å; K115-S117 PolarHBondContact O-N 3.14Å; K115-S117 VanDerWaalsContact O-N 3.1Å; K115-D118 PolarHBondContact O-N 2.78Å
116	R	56.1	Low	60.9	Low	149 Å²	149	92.5 Å²	92.5	56%	0.562	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-54.1	-32.8	178.9	-165	174.2	-176.4	178.6	-0.8	113.4	D118 E164	R116-D118 PolarHBondContact O-N 2.84Å; R116-E164 IonicContact CZ-OE2 3.15Å; R116-E164 IonicContact NE-OE1 3.53Å; R116-E164 IonicContact NE-OE2 2.78Å; R116-E164 PolarHBondContact NE-OE2 2.83Å; R116-E164 IonicContact NH2-OE1 3.69Å; R116-E164 IonicContact NH2-OE2 2.69Å; R116-E164 PolarHBondContact NH2-OE2 2.85Å
117	S	56.2	Low	59.4	Low	82 Å²	82	94.3 Å²	94.3	57%	0.573	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-60.8	-24.6	174	47.2	0	0	0	0	115.2	K115	K115-S117 WeakPolarHBondContact CB-OG 3.36Å; K115-S117 PolarHBondContact O-N 3.14Å; K115-S117 VanDerWaalsContact O-N 3.1Å
118	D	61.7	Low	57.7	Low	48 Å²	48	97.8 Å²	97.8	26%	0.257	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-103.4	-11.9	-172.2	-65.1	-79.7	0	0	0	112.6	V114 K115 R116 S120 R121	V114-D118 HydrophobicContact CG1-CB 4.08Å; K115-D118 PolarHBondContact O-N 2.78Å; R116-D118 PolarHBondContact O-N 2.84Å; D118-S120 PolarHBondContact O-N 3.41Å; D118-R121 WeakPolarHBondContact O-CB 3.32Å; D118-R121 PolarHBondContact O-N 2.74Å; D118-R121 IonicContact OD1-CZ 3.88Å; D118-R121 IonicContact OD1-NH1 3.32Å; D118-R121 PolarHBondContact OD1-NH1 2.92Å
119	C	63.9	Low	56	Low	16 Å²	16	93.3 Å²	93.3	11%	0.108	51%	0.51	C	S	.	.	G	3₁₀ helix	trans	-50.1	-39.9	171.6	-72.4	0	0	0	0	112.7	R121 I122 C161	C119-R121 PolarHBondContact O-N 3.18Å; C119-R121 VanDerWaalsContact O-N 3.16Å; C119-I122 PolarHBondContact O-N 3.42Å; C119-C161 WeakPolarHBondContact CA-SG 3.44Å; C119-C161 HydrophobicContact CB-CB 3.66Å; C119-C161 WeakPolarHBondContact CB-SG 3.32Å; C119-C161 WeakPolarHBondContact SG-CA 3.39Å; C119-C161 WeakPolarHBondContact SG-CB 3.31Å; C119-C161 CovalentContact SG-SG 2.03Å; C119-C161 PolarHBondContact SG-SG 2.83Å
120	S	58.9	Low	54.7	Low	87 Å²	87	95.7 Å²	95.7	61%	0.608	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-63.3	-19.2	-179.9	-47.2	0	0	0	0	114.2	D118	D118-S120 PolarHBondContact O-N 3.41Å
121	R	57.1	Low	53.9	Low	181 Å²	181	99.5 Å²	99.5	68%	0.683	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-89.1	-15.7	-176.4	-65.6	175.1	162.9	147.9	-3.9	113.7	D118 C119 H123	D118-R121 WeakPolarHBondContact O-CB 3.32Å; D118-R121 PolarHBondContact O-N 2.74Å; D118-R121 IonicContact OD1-CZ 3.88Å; D118-R121 IonicContact OD1-NH1 3.32Å; D118-R121 PolarHBondContact OD1-NH1 2.92Å; C119-R121 PolarHBondContact O-N 3.18Å; C119-R121 VanDerWaalsContact O-N 3.16Å; R121-H123 PolarHBondContact O-N 2.97Å
122	I	58.8	Low	53.2	Low	71 Å²	71	103.2 Å²	103.2	36%	0.364	56%	0.563	S	S	.	*	G	3₁₀ helix	trans	-75.3	-14.6	-177.6	-55.5	175.3	0	0	0	111.1	V114 C119 S125 L130	V114-I122 HydrophobicContact CG1-CD1 4.48Å; C119-I122 PolarHBondContact O-N 3.42Å; I122-S125 PolarHBondContact O-OG 3.26Å; I122-L130 HydrophobicContact CG2-CD1 4.35Å
123	H	53.3	Low	52.8	Low	144 Å²	144	102.1 Å²	102.1	67%	0.667	57%	0.566	S	S	*	*	G	3₁₀ helix	trans	-80.2	-24.1	-175.6	-174.8	-81.6	0	0	0	114.5	R121	R121-H123 PolarHBondContact O-N 2.97Å
124	D	49.8	Very low	52.7	Low	148 Å²	148	101.9 Å²	101.9	79%	0.791	56%	0.556	S	S	*	*	G	3₁₀ helix	trans	-94.1	9.6	-170.7	-67.8	-12.7	0	0	0	114
125	S	48.1	Very low	52.5	Low	54 Å²	54	101.1 Å²	101.1	38%	0.378	55%	0.548	S	S	.	.	S	Bend	trans	-109.3	136.5	174.6	50.2	0	0	0	0	111.7	I122	I122-S125 PolarHBondContact O-OG 3.26Å
126	D	42.2	Very low	52.7	Low	130 Å²	130	97.9 Å²	97.9	70%	0.695	54%	0.541	S	S	*	.			trans	-51.9	140.3	-173.1	-84.8	-58.4	0	0	0	114.2	A128	D126-A128 PolarHBondContact O-N 2.98Å
127	P	47.2	Very low	53	Low	131 Å²	131	93.1 Å²	93.1	85%	0.851	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	13.8	-172.8	31.7	-38.1	0	0	0	114.7
128	A	40.8	Very low	53.7	Low	96 Å²	96	93 Å²	93	79%	0.793	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-6.3	-171.6	0	0	0	0	0	114.8	D126	D126-A128 PolarHBondContact O-N 2.98Å
129	S	42.2	Very low	54.2	Low	88 Å²	88	93.6 Å²	93.6	62%	0.615	53%	0.525	S	S	*	.	S	Bend	trans	-140.3	27.7	-171.6	72.2	0	0	0	0	116.2
130	L	44.3	Very low	54.9	Low	78 Å²	78	96.9 Å²	96.9	41%	0.408	54%	0.54	S	S	.	.			trans	-112.1	71.4	177.7	-72.3	178	0	0	0	113.1	I122 Q132	I122-L130 HydrophobicContact CG2-CD1 4.35Å; L130-Q132 HydrophobicContact CD2-CB 3.92Å; L130-Q132 HydrophobicContact CD2-CG 4.46Å; L130-Q132 PolarHBondContact O-N 2.77Å
131	S	49.8	Very low	55.9	Low	124 Å²	124	96.4 Å²	96.4	87%	0.867	53%	0.534	S	S	*	.			trans	-81.8	75.4	148.7	59.1	0	0	0	0	108
132	Q	50.3	Low	56.8	Low	138 Å²	138	95.9 Å²	95.9	65%	0.645	54%	0.536	S	S	*	.			trans	-138.3	126.3	-170.9	-122.6	163.8	-87.4	0	0	111.9	L130	L130-Q132 HydrophobicContact CD2-CB 3.92Å; L130-Q132 HydrophobicContact CD2-CG 4.46Å; L130-Q132 PolarHBondContact O-N 2.77Å
133	D	51.6	Low	57.5	Low	95 Å²	95	94.4 Å²	94.4	51%	0.508	54%	0.538	S	S	.	.			trans	-64.2	143.4	-172.2	-53.4	-88.6	0	0	0	113.3	Y135	D133-Y135 HydrophobicContact CB-CD1 4.39Å; D133-Y135 HydrophobicContact CB-CD2 3.7Å; D133-Y135 HydrophobicContact CB-CE1 4.13Å; D133-Y135 HydrophobicContact CB-CE2 3.34Å; D133-Y135 HydrophobicContact CB-CG 4.18Å; D133-Y135 PolarHBondContact O-N 2.64Å; D133-Y135 WeakPolarHBondContact OD1-CE2 3.12Å; D133-Y135 PolarHBondContact OD1-OH 2.93Å
134	F	56.4	Low	58.4	Low	87 Å²	87	94.1 Å²	94.1	38%	0.382	55%	0.547	S	S	.	.	S	Bend	trans	-74.6	16.3	174.3	-62.1	-73.6	0	0	0	113.7	V114 N159	V114-F134 PolarHBondContact N-O 3.12Å; F134-N159 HydrophobicContact CD1-CB 4.3Å; F134-N159 HydrophobicContact CD2-CB 4.36Å; F134-N159 HydrophobicContact CE1-CB 4.39Å; F134-N159 WeakPolarHBondContact CE1-ND2 3.47Å; F134-N159 HydrophobicContact CE2-CB 4.45Å; F134-N159 HydrophobicContact CG-CB 4.29Å; F134-N159 HydrophobicContact CZ-CB 4.48Å
135	Y	59	Low	59.5	Low	25 Å²	25	89.3 Å²	89.3	10%	0.098	52%	0.521	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	159.2	-178	51.4	-107.4	0	0	0	110.3	V111 R112 D133 V137 A153 P154 A157	V111-Y135 HydrophobicContact CG1-CD2 4.27Å; V111-Y135 HydrophobicContact CG1-CG 4Å; R112-Y135 WeakPolarHBondContact O-CA 3.42Å; D133-Y135 HydrophobicContact CB-CD1 4.39Å; D133-Y135 HydrophobicContact CB-CD2 3.7Å; D133-Y135 HydrophobicContact CB-CE1 4.13Å; D133-Y135 HydrophobicContact CB-CE2 3.34Å; D133-Y135 HydrophobicContact CB-CG 4.18Å; D133-Y135 PolarHBondContact O-N 2.64Å; D133-Y135 WeakPolarHBondContact OD1-CE2 3.12Å; D133-Y135 PolarHBondContact OD1-OH 2.93Å; Y135-V137 HydrophobicContact CD2-CG2 3.64Å; Y135-V137 HydrophobicContact CE2-CG2 3.83Å; Y135-A153 HydrophobicContact CD2-CB 4.41Å; Y135-A153 HydrophobicContact CE1-CB 4.3Å; Y135-A153 HydrophobicContact CE2-CB 3.6Å; Y135-P154 PolarHBondContact OH-O 3.04Å; Y135-A157 HydrophobicContact CD1-CB 3.7Å; Y135-A157 HydrophobicContact CE1-CB 3.83Å
136	T	59.7	Low	60.7	Low	83 Å²	83	89 Å²	89	51%	0.509	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	141	168	51.7	0	0	0	0	109.2	V111 R112	V111-T136 CarbonylContact C-O 3.52Å; V111-T136 WeakPolarHBondContact CA-O 3.36Å; R112-T136 PolarHBondContact N-O 3.41Å; R112-T136 PolarHBondContact O-N 2.95Å; R112-T136 PolarHBondContact O-OG1 2.77Å
137	V	61.6	Low	62.3	Low	49 Å²	49	90 Å²	90	30%	0.297	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	107.1	179.4	-166.8	0	0	0	0	109.6	V96 C109 V111 Y135 C151 A153	V96-V137 HydrophobicContact CG1-CG1 4.44Å; C109-V137 HydrophobicContact CB-CG1 4.45Å; V111-V137 HydrophobicContact CG2-CG1 4.2Å; V111-V137 HydrophobicContact CG2-CG2 4.2Å; Y135-V137 HydrophobicContact CD2-CG2 3.64Å; Y135-V137 HydrophobicContact CE2-CG2 3.83Å; V137-C151 HydrophobicContact CG1-CB 3.51Å; V137-A153 HydrophobicContact CG2-CB 4.39Å
138	E	70.1	Confident	63.7	Low	80 Å²	80	88.3 Å²	88.3	37%	0.374	50%	0.496	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	138.1	170.9	-78.6	-177.2	-178	0	0	110.9	C109 V110 R112	C109-E138 CarbonylContact C-O 3.57Å; C109-E138 WeakPolarHBondContact CA-O 3.23Å; V110-E138 HydrophobicContact CB-CB 4.34Å; V110-E138 PolarHBondContact N-O 3.01Å; V110-E138 PolarHBondContact O-N 2.71Å; R112-E138 IonicContact CZ-OE1 3.21Å; R112-E138 IonicContact CZ-OE2 2.96Å; R112-E138 VanDerWaalsContact CZ-OE2 3.29Å; R112-E138 IonicContact NH1-OE1 2.69Å; R112-E138 PolarHBondContact NH1-OE1 2.64Å; R112-E138 IonicContact NH1-OE2 3.05Å; R112-E138 PolarHBondContact NH1-OE2 3.09Å; R112-E138 VanDerWaalsContact NH2-CD 3.34Å; R112-E138 IonicContact NH2-OE1 3.76Å; R112-E138 PolarHBondContact NH2-OE1 2.93Å; R112-E138 IonicContact NH2-OE2 2.66Å; R112-E138 PolarHBondContact NH2-OE2 2.98Å
139	T	73.8	Confident	65.4	Low	61 Å²	61	85.1 Å²	85.1	37%	0.374	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	116.8	176.4	-56.1	0	0	0	0	108.9	C149 C151	T139-C149 HydrophobicContact CG2-CB 4.06Å; T139-C149 WeakPolarHBondContact CG2-SG 3.44Å; T139-C151 PolarHBondContact OG1-SG 2.84Å
140	I	77.8	Confident	67.1	Low	85 Å²	85	83.4 Å²	83.4	44%	0.436	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	110.6	179.2	-55.2	177.1	0	0	0	108.7	R108 V110	R108-I140 HydrophobicContact CB-CB 4.45Å; R108-I140 PolarHBondContact N-O 3.29Å; R108-I140 PolarHBondContact O-N 3.25Å; V110-I140 HydrophobicContact CG2-CD1 3.87Å
141	T	79.5	Confident	68.4	Low	77 Å²	77	80.7 Å²	80.7	47%	0.472	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	139.4	173.1	44.8	0	0	0	0	111.8	V106 C146 C149	V106-T141 CarbonylContact O-C 3.48Å; V106-T141 WeakPolarHBondContact O-CA 3.17Å; T141-C146 HydrophobicContact CG2-CB 4.4Å; T141-C149 HydrophobicContact CG2-CB 3.44Å; T141-C149 VanDerWaalsContact CG2-CB 3.44Å; T141-C149 WeakPolarHBondContact CG2-SG 3.44Å
142	K	76.2	Confident	69	Low	170 Å²	170	79.1 Å²	79.1	74%	0.739	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.5	111.9	165.7	-175.6	178.6	179.7	-179.1	0	109.7	V106	V106-K142 HydrophobicContact CB-CB 4.43Å; V106-K142 WeakPolarHBondContact CB-O 3.49Å; V106-K142 PolarHBondContact N-O 2.76Å; V106-K142 PolarHBondContact O-N 2.76Å
143	G	74.3	Confident	69.4	Low	39 Å²	39	74 Å²	74	40%	0.402	40%	0.401	S	S	.	.			trans	162.8	165	-175.7	0	0	0	0	0	109.4	D104	D104-G143 WeakPolarHBondContact OD1-CA 3.29Å
144	T	71.4	Confident	69.7	Low	139 Å²	139	71.3 Å²	71.3	85%	0.853	39%	0.389	S	S	*	.	S	Bend	trans	-103.5	-21	177.5	57.4	0	0	0	0	112.7	D104	D104-T144 PolarHBondContact OD1-N 3.18Å; D104-T144 PolarHBondContact OD2-N 3Å; D104-T144 PolarHBondContact OD2-OG1 2.88Å
145	D	72.4	Confident	69.5	Low	47 Å²	47	73 Å²	73	25%	0.251	41%	0.409	S	S	.	.	S	Bend	trans	-116.4	47.9	176.5	-176.2	51.7	0	0	0	111.2	G102 S103 D104 K147	G102-D145 WeakPolarHBondContact CA-O 3.5Å; S103-D145 WeakPolarHBondContact CB-OD2 3.29Å; S103-D145 PolarHBondContact N-OD2 2.95Å; S103-D145 WeakPolarHBondContact OG-CB 3.45Å; S103-D145 VanDerWaalsContact OG-CG 3.31Å; S103-D145 PolarHBondContact OG-OD2 2.83Å; D104-D145 PolarHBondContact OD1-N 2.85Å; D145-K147 VanDerWaalsContact CG-CE 3.44Å; D145-K147 PolarHBondContact O-N 2.85Å; D145-K147 WeakPolarHBondContact OD1-CE 3.21Å; D145-K147 IonicContact OD1-NZ 3.11Å; D145-K147 PolarHBondContact OD1-NZ 2.81Å; D145-K147 WeakPolarHBondContact OD2-CE 3.35Å; D145-K147 IonicContact OD2-NZ 3.72Å
146	C	73.7	Confident	69.1	Low	47 Å²	47	75.3 Å²	75.3	32%	0.318	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	109.2	171.4	-83.3	0	0	0	0	111.5	C105 T141	C105-C146 WeakPolarHBondContact CA-SG 3.41Å; C105-C146 HydrophobicContact CB-CB 3.92Å; C105-C146 WeakPolarHBondContact CB-SG 3.46Å; C105-C146 WeakPolarHBondContact SG-CA 3.41Å; C105-C146 WeakPolarHBondContact SG-CB 3.1Å; C105-C146 CovalentContact SG-SG 2.04Å; C105-C146 PolarHBondContact SG-SG 3.44Å; T141-C146 HydrophobicContact CG2-CB 4.4Å
147	K	75.4	Confident	68.5	Low	150 Å²	150	73.4 Å²	73.4	65%	0.652	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	-28.9	179.8	-57.2	-177	-170.5	175.4	0	113.7	S101 D145	S101-K147 WeakPolarHBondContact O-CA 3.38Å; S101-K147 WeakPolarHBondContact O-CB 3.4Å; S101-K147 PolarHBondContact O-N 2.96Å; D145-K147 VanDerWaalsContact CG-CE 3.44Å; D145-K147 PolarHBondContact O-N 2.85Å; D145-K147 WeakPolarHBondContact OD1-CE 3.21Å; D145-K147 IonicContact OD1-NZ 3.11Å; D145-K147 PolarHBondContact OD1-NZ 2.81Å; D145-K147 WeakPolarHBondContact OD2-CE 3.35Å; D145-K147 IonicContact OD2-NZ 3.72Å
148	K	77.3	Confident	67.9	Low	97 Å²	97	76.4 Å²	76.4	42%	0.422	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	140.9	170.8	-162.2	-177.8	-173.8	-172.6	0	109.6	E99 S100 S101 V150	E99-K148 IonicContact OE1-NZ 3.54Å; E99-K148 VanDerWaalsContact OE2-CE 3.26Å; E99-K148 WeakPolarHBondContact OE2-CE 3.38Å; E99-K148 IonicContact OE2-NZ 3.28Å; E99-K148 PolarHBondContact OE2-NZ 3.15Å; S100-K148 CarbonylContact C-O 3.57Å; S100-K148 WeakPolarHBondContact CA-O 3.49Å; S101-K148 PolarHBondContact N-O 2.96Å; S101-K148 PolarHBondContact O-N 3.28Å; K148-V150 HydrophobicContact CG-CG2 4.13Å
149	C	76.5	Confident	67.1	Low	29 Å²	29	74.7 Å²	74.7	20%	0.196	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	112.6	170.8	-164.1	0	0	0	0	108.2	E99 C107 T139 T141	E99-C149 CarbonylContact O-C 3.54Å; E99-C149 WeakPolarHBondContact O-CA 3.31Å; C107-C149 HydrophobicContact CB-CB 4.47Å; C107-C149 WeakPolarHBondContact CB-SG 3.48Å; C107-C149 VanDerWaalsContact SG-CA 3.51Å; C107-C149 WeakPolarHBondContact SG-CB 3.32Å; C107-C149 CovalentContact SG-SG 2.02Å; C107-C149 PolarHBondContact SG-SG 2.96Å; T139-C149 HydrophobicContact CG2-CB 4.06Å; T139-C149 WeakPolarHBondContact CG2-SG 3.44Å; T141-C149 HydrophobicContact CG2-CB 3.44Å; T141-C149 VanDerWaalsContact CG2-CB 3.44Å; T141-C149 WeakPolarHBondContact CG2-SG 3.44Å
150	V	77.3	Confident	66	Low	52 Å²	52	74.5 Å²	74.5	32%	0.315	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	139.6	-177.9	-179.2	0	0	0	0	110	T98 E99 K148 M152	T98-V150 WeakPolarHBondContact CA-O 3.4Å; E99-V150 PolarHBondContact N-O 2.97Å; E99-V150 PolarHBondContact O-N 3.45Å; K148-V150 HydrophobicContact CG-CG2 4.13Å; V150-M152 HydrophobicContact CG1-CG 4.18Å
151	C	72.4	Confident	65.1	Low	20 Å²	20	71.1 Å²	71.1	14%	0.135	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	131.5	174	-59.8	0	0	0	0	109.4	V96 C109 V137 T139	V96-C151 HydrophobicContact CG1-CB 4.25Å; C109-C151 VanDerWaalsContact CA-SG 3.53Å; C109-C151 HydrophobicContact CB-CB 3.78Å; C109-C151 WeakPolarHBondContact CB-SG 3.42Å; C109-C151 WeakPolarHBondContact SG-CB 3.38Å; C109-C151 CovalentContact SG-SG 2.02Å; C109-C151 PolarHBondContact SG-SG 2.86Å; V137-C151 HydrophobicContact CG1-CB 3.51Å; T139-C151 PolarHBondContact OG1-SG 2.84Å
152	M	62.1	Low	64.2	Low	92 Å²	92	70.9 Å²	70.9	45%	0.453	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.9	176.2	-65.5	176.8	-72	0	0	109.5	V96 K97 V150	V96-M152 CarbonylContact C-O 3.56Å; K97-M152 HydrophobicContact CD-CE 4.33Å; K97-M152 HydrophobicContact CG-CE 4.45Å; K97-M152 PolarHBondContact N-O 3.42Å; K97-M152 PolarHBondContact O-N 3.03Å; V150-M152 HydrophobicContact CG1-CG 4.18Å
153	A	59.6	Low	63.2	Low	29 Å²	29	65.2 Å²	65.2	24%	0.24	40%	0.4	C	S	.	.			trans	-97.9	145.5	172.9	0	0	0	0	0	110.2	V96 Y135 V137	V96-A153 HydrophobicContact CG2-CB 4.42Å; Y135-A153 HydrophobicContact CD2-CB 4.41Å; Y135-A153 HydrophobicContact CE1-CB 4.3Å; Y135-A153 HydrophobicContact CE2-CB 3.6Å; V137-A153 HydrophobicContact CG2-CB 4.39Å
154	P	56.3	Low	62.3	Low	39 Å²	39	66.9 Å²	66.9	25%	0.253	40%	0.397	S	S	.	.			trans	-68.9	151.7	169.9	-22.7	37.2	0	0	0	112.1	D94 Y135 S156	D94-P154 HydrophobicContact CB-CB 4.19Å; D94-P154 HydrophobicContact CB-CG 3.84Å; D94-P154 WeakPolarHBondContact OD1-CG 3.35Å; Y135-P154 PolarHBondContact OH-O 3.04Å; P154-S156 PolarHBondContact O-N 3.34Å
155	P	53.4	Low	61.8	Low	122 Å²	122	67.3 Å²	67.3	79%	0.792	38%	0.384	S	S	*	.	S	Bend	trans	-72.4	10.2	-176.9	31.3	-37	0	0	0	114.7	A157	P155-A157 PolarHBondContact O-N 3.31Å
156	S	50.2	Low	61.1	Low	74 Å²	74	72.6 Å²	72.6	52%	0.517	40%	0.401	S	S	.	.			trans	-98.5	50.6	-172.5	13.5	0	0	0	0	112.8	D94 P154	D94-S156 VanDerWaalsContact OD2-CB 3.23Å; D94-S156 WeakPolarHBondContact OD2-CB 3.37Å; D94-S156 PolarHBondContact OD2-OG 3.48Å; P154-S156 PolarHBondContact O-N 3.34Å
157	A	46.3	Very low	60.5	Low	43 Å²	43	74.4 Å²	74.4	36%	0.355	40%	0.403	S	S	.	.			trans	-104.4	128.4	171.3	0	0	0	0	0	111	Y135 P155 N159	Y135-A157 HydrophobicContact CD1-CB 3.7Å; Y135-A157 HydrophobicContact CE1-CB 3.83Å; P155-A157 PolarHBondContact O-N 3.31Å; A157-N159 PolarHBondContact O-N 2.77Å
158	V	50.6	Low	59.9	Low	113 Å²	113	72.2 Å²	72.2	69%	0.685	39%	0.394	S	S	*	.			trans	-56.6	124.3	175.5	178.7	0	0	0	0	109.6	P160	V158-P160 VanDerWaalsContact O-CD 3.27Å; V158-P160 WeakPolarHBondContact O-CD 3.49Å
159	N	52.5	Low	59.1	Low	43 Å²	43	73.5 Å²	73.5	23%	0.23	40%	0.4	C	S	.	.			trans	-68.1	112.7	-178	176.1	-2.3	0	0	0	110.2	F134 A157 C161 E162	F134-N159 HydrophobicContact CD1-CB 4.3Å; F134-N159 HydrophobicContact CD2-CB 4.36Å; F134-N159 HydrophobicContact CE1-CB 4.39Å; F134-N159 WeakPolarHBondContact CE1-ND2 3.47Å; F134-N159 HydrophobicContact CE2-CB 4.45Å; F134-N159 HydrophobicContact CG-CB 4.29Å; F134-N159 HydrophobicContact CZ-CB 4.48Å; A157-N159 PolarHBondContact O-N 2.77Å; N159-C161 PolarHBondContact O-N 2.59Å; N159-C161 VanDerWaalsContact O-N 3.1Å; N159-C161 VanDerWaalsContact OD1-CB 3.31Å; N159-C161 WeakPolarHBondContact OD1-CB 3.48Å; N159-C161 PolarHBondContact OD1-N 2.88Å; N159-E162 HydrophobicContact CB-CB 4.27Å; N159-E162 WeakPolarHBondContact O-CB 3.32Å; N159-E162 PolarHBondContact O-N 3.4Å
160	P	52.1	Low	58.2	Low	57 Å²	57	77 Å²	77	37%	0.37	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.9	-176	29.1	-35.5	0	0	0	113.1	V158	V158-P160 VanDerWaalsContact O-CD 3.27Å; V158-P160 WeakPolarHBondContact O-CD 3.49Å
161	C	57.1	Low	57.4	Low	15 Å²	15	78.8 Å²	78.8	10%	0.101	42%	0.421	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-5.3	176.9	-49.4	0	0	0	0	113.2	C119 N159 G163 E164 Y165	C119-C161 WeakPolarHBondContact CA-SG 3.44Å; C119-C161 HydrophobicContact CB-CB 3.66Å; C119-C161 WeakPolarHBondContact CB-SG 3.32Å; C119-C161 WeakPolarHBondContact SG-CA 3.39Å; C119-C161 WeakPolarHBondContact SG-CB 3.31Å; C119-C161 CovalentContact SG-SG 2.03Å; C119-C161 PolarHBondContact SG-SG 2.83Å; N159-C161 PolarHBondContact O-N 2.59Å; N159-C161 VanDerWaalsContact O-N 3.1Å; N159-C161 VanDerWaalsContact OD1-CB 3.31Å; N159-C161 WeakPolarHBondContact OD1-CB 3.48Å; N159-C161 PolarHBondContact OD1-N 2.88Å; C161-G163 PolarHBondContact O-N 3.01Å; C161-E164 WeakPolarHBondContact O-CB 3.43Å; C161-E164 PolarHBondContact O-N 2.99Å; C161-Y165 PolarHBondContact O-N 2.91Å
162	E	60.7	Low	57.1	Low	72 Å²	72	82.7 Å²	82.7	34%	0.336	44%	0.437	S	S	.	.	H	α-helix	trans	-65.9	-37.5	-175.1	-167	-175.4	161.9	0	0	112.7	N159 Y165 R166	N159-E162 HydrophobicContact CB-CB 4.27Å; N159-E162 WeakPolarHBondContact O-CB 3.32Å; N159-E162 PolarHBondContact O-N 3.4Å; E162-Y165 PolarHBondContact O-N 2.83Å; E162-R166 HydrophobicContact CG-CG 4.43Å; E162-R166 WeakPolarHBondContact O-CB 3.49Å; E162-R166 WeakPolarHBondContact O-CG 3.45Å; E162-R166 PolarHBondContact O-N 3.28Å; E162-R166 IonicContact OE1-CZ 3.29Å; E162-R166 IonicContact OE1-NE 2.67Å; E162-R166 PolarHBondContact OE1-NE 2.9Å; E162-R166 IonicContact OE1-NH2 2.66Å; E162-R166 PolarHBondContact OE1-NH2 3.41Å
163	G	55.4	Low	56.9	Low	51 Å²	51	81.6 Å²	81.6	53%	0.526	44%	0.442	S	S	.	.	H	α-helix	trans	-61.3	-43.8	174.2	0	0	0	0	0	112.3	C161 R166 F167	C161-G163 PolarHBondContact O-N 3.01Å; G163-R166 PolarHBondContact O-N 2.95Å; G163-F167 WeakPolarHBondContact O-CB 3.46Å; G163-F167 PolarHBondContact O-N 2.88Å
164	E	56.6	Low	56.9	Low	73 Å²	73	80.4 Å²	80.4	34%	0.341	43%	0.432	S	S	.	.	H	α-helix	trans	-61.4	-44.5	175.7	-139.9	80.1	172.7	0	0	111.2	R116 C161 F167 K168	R116-E164 IonicContact CZ-OE2 3.15Å; R116-E164 IonicContact NE-OE1 3.53Å; R116-E164 IonicContact NE-OE2 2.78Å; R116-E164 PolarHBondContact NE-OE2 2.83Å; R116-E164 IonicContact NH2-OE1 3.69Å; R116-E164 IonicContact NH2-OE2 2.69Å; R116-E164 PolarHBondContact NH2-OE2 2.85Å; C161-E164 WeakPolarHBondContact O-CB 3.43Å; C161-E164 PolarHBondContact O-N 2.99Å; E164-F167 PolarHBondContact O-N 3.01Å; E164-K168 WeakPolarHBondContact O-CB 3.31Å; E164-K168 PolarHBondContact O-N 3Å
165	Y	59.6	Low	57.1	Low	149 Å²	149	86.7 Å²	86.7	58%	0.584	46%	0.456	S	S	*	.	H	α-helix	trans	-64.5	-45.7	178.2	177.5	-98.8	0	0	0	112.2	C161 E162 F167 K169	C161-Y165 PolarHBondContact O-N 2.91Å; E162-Y165 PolarHBondContact O-N 2.83Å; Y165-F167 VanDerWaalsContact C-N 3.35Å; Y165-F167 PolarHBondContact O-N 2.86Å; Y165-K169 HydrophobicContact CE1-CD 4.29Å; Y165-K169 VanDerWaalsContact O-CB 3.26Å; Y165-K169 WeakPolarHBondContact O-CB 3.4Å; Y165-K169 PolarHBondContact O-N 3.32Å
166	R	57.8	Low	57.3	Low	157 Å²	157	88.5 Å²	88.5	59%	0.592	46%	0.459	S	S	*	.	H	α-helix	trans	-61.3	-42.7	175.3	-72.8	175	179.4	-137.9	7.7	111.2	E162 G163 K169 L170	E162-R166 HydrophobicContact CG-CG 4.43Å; E162-R166 WeakPolarHBondContact O-CB 3.49Å; E162-R166 WeakPolarHBondContact O-CG 3.45Å; E162-R166 PolarHBondContact O-N 3.28Å; E162-R166 IonicContact OE1-CZ 3.29Å; E162-R166 IonicContact OE1-NE 2.67Å; E162-R166 PolarHBondContact OE1-NE 2.9Å; E162-R166 IonicContact OE1-NH2 2.66Å; E162-R166 PolarHBondContact OE1-NH2 3.41Å; G163-R166 PolarHBondContact O-N 2.95Å; R166-K169 PolarHBondContact O-N 2.82Å; R166-L170 WeakPolarHBondContact O-CG 3.49Å; R166-L170 PolarHBondContact O-N 2.88Å; R166-L170 VanDerWaalsContact O-N 3.07Å
167	F	61.3	Low	58	Low	85 Å²	85	88.7 Å²	88.7	37%	0.373	45%	0.454	S	S	.	.	H	α-helix	trans	-66.8	-47.5	178.1	-171.7	-99.6	0	0	0	112.3	G163 E164 Y165 K169 L170 Q171 I184	G163-F167 WeakPolarHBondContact O-CB 3.46Å; G163-F167 PolarHBondContact O-N 2.88Å; E164-F167 PolarHBondContact O-N 3.01Å; Y165-F167 VanDerWaalsContact C-N 3.35Å; Y165-F167 PolarHBondContact O-N 2.86Å; F167-K169 VanDerWaalsContact C-N 3.29Å; F167-K169 PolarHBondContact O-N 3.43Å; F167-L170 WeakPolarHBondContact O-CB 3.38Å; F167-L170 PolarHBondContact O-N 2.86Å; F167-L170 VanDerWaalsContact O-N 3.09Å; F167-Q171 PolarHBondContact O-N 2.87Å; F167-I184 HydrophobicContact CE2-CG2 4.2Å; F167-I184 HydrophobicContact CZ-CG2 3.81Å
168	K	62.1	Low	58.8	Low	105 Å²	105	93.3 Å²	93.3	46%	0.457	47%	0.471	S	S	.	.	H	α-helix	trans	-60	-39.8	176	-168.5	-174.9	-176.3	-117.2	0	111.8	E164 L170 Q171 E172	E164-K168 WeakPolarHBondContact O-CB 3.31Å; E164-K168 PolarHBondContact O-N 3Å; K168-L170 VanDerWaalsContact C-N 3.32Å; K168-L170 PolarHBondContact O-N 2.88Å; K168-Q171 PolarHBondContact O-N 2.78Å; K168-E172 WeakPolarHBondContact CE-OE1 3.5Å; K168-E172 IonicContact NZ-OE1 3.33Å; K168-E172 PolarHBondContact NZ-OE1 2.92Å; K168-E172 WeakPolarHBondContact O-CB 3.34Å; K168-E172 WeakPolarHBondContact O-CG 3.49Å; K168-E172 PolarHBondContact O-N 2.96Å
169	K	61.8	Low	59.3	Low	124 Å²	124	95.6 Å²	95.6	54%	0.539	47%	0.472	S	S	.	.	H	α-helix	trans	-65.1	-33.4	176.1	-171.6	171.7	-176.7	173.2	0	112.7	Y165 R166 F167 A173	Y165-K169 HydrophobicContact CE1-CD 4.29Å; Y165-K169 VanDerWaalsContact O-CB 3.26Å; Y165-K169 WeakPolarHBondContact O-CB 3.4Å; Y165-K169 PolarHBondContact O-N 3.32Å; R166-K169 PolarHBondContact O-N 2.82Å; F167-K169 VanDerWaalsContact C-N 3.29Å; F167-K169 PolarHBondContact O-N 3.43Å; K169-A173 WeakPolarHBondContact O-CB 3.38Å; K169-A173 PolarHBondContact O-N 2.78Å; K169-A173 VanDerWaalsContact O-N 3.11Å
170	L	57.7	Low	59.7	Low	103 Å²	103	96.8 Å²	96.8	54%	0.539	48%	0.478	S	S	.	.	H	α-helix	trans	-70.3	-39.6	170.8	-72.8	164.1	0	0	0	111.8	R166 F167 K168 A173 S174	R166-L170 WeakPolarHBondContact O-CG 3.49Å; R166-L170 PolarHBondContact O-N 2.88Å; R166-L170 VanDerWaalsContact O-N 3.07Å; F167-L170 WeakPolarHBondContact O-CB 3.38Å; F167-L170 PolarHBondContact O-N 2.86Å; F167-L170 VanDerWaalsContact O-N 3.09Å; K168-L170 VanDerWaalsContact C-N 3.32Å; K168-L170 PolarHBondContact O-N 2.88Å; L170-A173 CarbonylContact O-C 3.59Å; L170-A173 PolarHBondContact O-N 3.18Å; L170-S174 WeakPolarHBondContact O-CB 3.38Å; L170-S174 PolarHBondContact O-N 2.82Å; L170-S174 PolarHBondContact O-OG 3.5Å
171	Q	59.7	Low	60.1	Low	88 Å²	88	95.4 Å²	95.4	41%	0.411	47%	0.472	S	S	.	.	H	α-helix	trans	-70.7	-32.9	178.3	-160.9	179.5	52.5	0	0	112.8	F167 K168 S174 K175	F167-Q171 PolarHBondContact O-N 2.87Å; K168-Q171 PolarHBondContact O-N 2.78Å; Q171-S174 WeakPolarHBondContact CA-OG 3.2Å; Q171-S174 PolarHBondContact O-OG 2.92Å; Q171-S174 VanDerWaalsContact O-OG 3.1Å; Q171-K175 PolarHBondContact O-N 3.16Å
172	E	65.7	Low	60.4	Low	103 Å²	103	98.8 Å²	98.8	48%	0.481	49%	0.492	S	S	.	.	H	α-helix	trans	-71	-34.4	170.3	-74.8	173.6	174.4	0	0	111.6	K168 K175	K168-E172 WeakPolarHBondContact CE-OE1 3.5Å; K168-E172 IonicContact NZ-OE1 3.33Å; K168-E172 PolarHBondContact NZ-OE1 2.92Å; K168-E172 WeakPolarHBondContact O-CB 3.34Å; K168-E172 WeakPolarHBondContact O-CG 3.49Å; K168-E172 PolarHBondContact O-N 2.96Å; E172-K175 WeakPolarHBondContact O-CB 3.33Å
173	A	58.9	Low	60.6	Low	68 Å²	68	99.9 Å²	99.9	56%	0.562	50%	0.499	S	S	*	.	H	α-helix	trans	-76.2	-28.3	173.9	0	0	0	0	0	113.7	K169 L170 K175	K169-A173 WeakPolarHBondContact O-CB 3.38Å; K169-A173 PolarHBondContact O-N 2.78Å; K169-A173 VanDerWaalsContact O-N 3.11Å; L170-A173 CarbonylContact O-C 3.59Å; L170-A173 PolarHBondContact O-N 3.18Å; A173-K175 PolarHBondContact O-N 2.8Å
174	S	59.7	Low	61.1	Low	5 Å²	5	98.2 Å²	98.2	4%	0.035	48%	0.478	C	S	.	.	G	3₁₀ helix	trans	-79.4	-5.3	176.5	71.8	0	0	0	0	113.7	L170 Q171 D176 D177 I184	L170-S174 WeakPolarHBondContact O-CB 3.38Å; L170-S174 PolarHBondContact O-N 2.82Å; L170-S174 PolarHBondContact O-OG 3.5Å; Q171-S174 WeakPolarHBondContact CA-OG 3.2Å; Q171-S174 PolarHBondContact O-OG 2.92Å; Q171-S174 VanDerWaalsContact O-OG 3.1Å; S174-D176 PolarHBondContact O-N 2.94Å; S174-D177 CarbonylContact O-C 3.58Å; S174-D177 PolarHBondContact O-N 2.82Å; S174-D177 VanDerWaalsContact O-N 3.09Å; S174-D177 VanDerWaalsContact O-O 3.1Å; S174-I184 WeakPolarHBondContact OG-CD1 3.42Å
175	K	59.6	Low	61.2	Low	171 Å²	171	99.4 Å²	99.4	74%	0.743	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-64.4	-23.3	-174.6	-145.8	171	-168.4	170.7	0	113.4	Q171 E172 A173	Q171-K175 PolarHBondContact O-N 3.16Å; E172-K175 WeakPolarHBondContact O-CB 3.33Å; A173-K175 PolarHBondContact O-N 2.8Å
176	D	58.5	Low	61.3	Low	160 Å²	160	98.6 Å²	98.6	86%	0.856	49%	0.491	S	S	*	.	G	3₁₀ helix	trans	-98.7	-8.5	177	-60.4	-33	0	0	0	113.4	S174	S174-D176 PolarHBondContact O-N 2.94Å
177	D	63.6	Low	61.3	Low	77 Å²	77	95.6 Å²	95.6	41%	0.412	49%	0.487	S	S	.	.			trans	-122.9	100.9	176.7	-172.5	-6	0	0	0	112.1	S174 K179 L180 A181	S174-D177 CarbonylContact O-C 3.58Å; S174-D177 PolarHBondContact O-N 2.82Å; S174-D177 VanDerWaalsContact O-N 3.09Å; S174-D177 VanDerWaalsContact O-O 3.1Å; D177-K179 PolarHBondContact O-N 2.84Å; D177-K179 VanDerWaalsContact O-N 3.13Å; D177-K179 WeakPolarHBondContact OD1-CB 3.39Å; D177-K179 PolarHBondContact OD1-N 3.46Å; D177-L180 HydrophobicContact CB-CB 4.14Å; D177-L180 PolarHBondContact O-N 3.23Å; D177-A181 PolarHBondContact O-N 3.23Å
178	I	64.1	Low	61.2	Low	141 Å²	141	95.6 Å²	95.6	72%	0.723	49%	0.488	S	S	*	.	H	α-helix	trans	-53.9	-32.9	178.6	-57.1	172.9	0	0	0	112.1	T182	I178-T182 PolarHBondContact O-N 2.82Å; I178-T182 PolarHBondContact O-OG1 3.39Å
179	K	60.8	Low	60.7	Low	161 Å²	161	93.1 Å²	93.1	70%	0.7	49%	0.492	S	S	*	.	H	α-helix	trans	-71.2	-40.4	178.2	-66.3	178.5	179.7	173.6	0	111.7	D177 T182 I183	D177-K179 PolarHBondContact O-N 2.84Å; D177-K179 VanDerWaalsContact O-N 3.13Å; D177-K179 WeakPolarHBondContact OD1-CB 3.39Å; D177-K179 PolarHBondContact OD1-N 3.46Å; K179-T182 PolarHBondContact O-N 3.12Å; K179-I183 WeakPolarHBondContact O-CG1 3.41Å; K179-I183 PolarHBondContact O-N 3.39Å; K179-I183 VanDerWaalsContact O-N 3.14Å
180	L	60.4	Low	60.1	Low	67 Å²	67	90.1 Å²	90.1	35%	0.351	49%	0.486	S	S	.	.	H	α-helix	trans	-69.3	-40.3	178.2	-173.9	58.1	0	0	0	110.7	D177 T182 I183 I184	D177-L180 HydrophobicContact CB-CB 4.14Å; D177-L180 PolarHBondContact O-N 3.23Å; L180-T182 PolarHBondContact O-N 2.02Å; L180-I183 PolarHBondContact O-N 3.31Å; L180-I184 HydrophobicContact CG-CD1 4.15Å; L180-I184 WeakPolarHBondContact O-CG1 3.46Å; L180-I184 PolarHBondContact O-N 3.43Å
181	A	60.3	Low	59.8	Low	29 Å²	29	91.2 Å²	91.2	24%	0.24	49%	0.491	C	S	.	.	H	α-helix	trans	-57.1	-48.4	171.5	0	0	0	0	0	112	D177 I183 I184 D185	D177-A181 PolarHBondContact O-N 3.23Å; A181-I183 PolarHBondContact O-N 2.65Å; A181-I184 PolarHBondContact O-N 3.27Å; A181-D185 PolarHBondContact O-N 2.87Å
182	T	64.8	Low	59.2	Low	85 Å²	85	94.9 Å²	94.9	52%	0.521	50%	0.502	S	S	.	.	H	α-helix	trans	-60.9	-32.6	178.4	-50.7	0	0	0	0	112.6	I178 K179 L180 L186	I178-T182 PolarHBondContact O-N 2.82Å; I178-T182 PolarHBondContact O-OG1 3.39Å; K179-T182 PolarHBondContact O-N 3.12Å; L180-T182 PolarHBondContact O-N 2.02Å; T182-L186 WeakPolarHBondContact O-CB 3.16Å; T182-L186 PolarHBondContact O-N 2.83Å
183	I	64.4	Low	58.3	Low	95 Å²	95	92.9 Å²	92.9	49%	0.487	51%	0.509	S	S	.	.	H	α-helix	trans	-74.1	-37.4	175.9	-69.3	165.5	0	0	0	111.2	K179 L180 A181 L186 L187	K179-I183 WeakPolarHBondContact O-CG1 3.41Å; K179-I183 PolarHBondContact O-N 3.39Å; K179-I183 VanDerWaalsContact O-N 3.14Å; L180-I183 PolarHBondContact O-N 3.31Å; A181-I183 PolarHBondContact O-N 2.65Å; I183-L186 PolarHBondContact O-N 2.91Å; I183-L187 HydrophobicContact CG2-CD1 4.07Å; I183-L187 VanDerWaalsContact O-CG 3.31Å; I183-L187 WeakPolarHBondContact O-CG 3.31Å; I183-L187 PolarHBondContact O-N 3.47Å
184	I	65.7	Low	58	Low	16 Å²	16	96 Å²	96	8%	0.082	52%	0.516	C	S	.	.	H	α-helix	trans	-65.5	-46.3	175.5	-69.8	165.2	0	0	0	110.5	F167 S174 L180 A181 L186 L187 E188	F167-I184 HydrophobicContact CE2-CG2 4.2Å; F167-I184 HydrophobicContact CZ-CG2 3.81Å; S174-I184 WeakPolarHBondContact OG-CD1 3.42Å; L180-I184 HydrophobicContact CG-CD1 4.15Å; L180-I184 WeakPolarHBondContact O-CG1 3.46Å; L180-I184 PolarHBondContact O-N 3.43Å; A181-I184 PolarHBondContact O-N 3.27Å; I184-L186 VanDerWaalsContact C-N 3.27Å; I184-L186 PolarHBondContact O-N 2.72Å; I184-L187 CarbonylContact O-C 3.51Å; I184-L187 PolarHBondContact O-N 2.85Å; I184-L187 VanDerWaalsContact O-N 3.1Å; I184-E188 PolarHBondContact O-N 2.87Å
185	D	59	Low	57.3	Low	98 Å²	98	99 Å²	99	52%	0.524	53%	0.531	S	S	.	.	H	α-helix	trans	-59.6	-38.2	176	-64.2	-7	0	0	0	111.7	A181 E188 G189	A181-D185 PolarHBondContact O-N 2.87Å; D185-E188 PolarHBondContact O-N 2.8Å; D185-G189 PolarHBondContact O-N 2.97Å
186	L	61	Low	56.9	Low	132 Å²	132	97 Å²	97	69%	0.691	53%	0.528	S	S	*	.	H	α-helix	trans	-69.7	-33.4	177.1	-163.6	74.3	0	0	0	112.3	T182 I183 I184 S190	T182-L186 WeakPolarHBondContact O-CB 3.16Å; T182-L186 PolarHBondContact O-N 2.83Å; I183-L186 PolarHBondContact O-N 2.91Å; I184-L186 VanDerWaalsContact C-N 3.27Å; I184-L186 PolarHBondContact O-N 2.72Å; L186-S190 WeakPolarHBondContact O-CB 3.37Å; L186-S190 PolarHBondContact O-N 3.15Å; L186-S190 VanDerWaalsContact O-N 3.12Å; L186-S190 PolarHBondContact O-OG 2.94Å
187	L	57.4	Low	56.3	Low	94 Å²	94	96 Å²	96	49%	0.492	52%	0.522	S	S	.	.	H	α-helix	trans	-73.9	-35.7	173.5	-73.8	168.1	0	0	0	111.8	I183 I184 S190 M191	I183-L187 HydrophobicContact CG2-CD1 4.07Å; I183-L187 VanDerWaalsContact O-CG 3.31Å; I183-L187 WeakPolarHBondContact O-CG 3.31Å; I183-L187 PolarHBondContact O-N 3.47Å; I184-L187 CarbonylContact O-C 3.51Å; I184-L187 PolarHBondContact O-N 2.85Å; I184-L187 VanDerWaalsContact O-N 3.1Å; L187-S190 WeakPolarHBondContact CA-OG 3.37Å; L187-S190 PolarHBondContact O-N 2.85Å; L187-S190 PolarHBondContact O-OG 3.33Å; L187-M191 WeakPolarHBondContact O-CB 3.25Å; L187-M191 WeakPolarHBondContact O-CG 3.27Å; L187-M191 PolarHBondContact O-N 3.33Å
188	E	59.9	Low	55.4	Low	86 Å²	86	99 Å²	99	40%	0.402	53%	0.531	S	S	.	.	H	α-helix	trans	-62.3	-54.5	172.3	-168.8	172.6	151.1	0	0	110.3	I184 D185 S190 M191 Y192	I184-E188 PolarHBondContact O-N 2.87Å; D185-E188 PolarHBondContact O-N 2.8Å; E188-S190 VanDerWaalsContact C-N 3.26Å; E188-S190 PolarHBondContact O-N 3.31Å; E188-M191 PolarHBondContact O-N 3.16Å; E188-Y192 HydrophobicContact CG-CD2 3.69Å; E188-Y192 HydrophobicContact CG-CE2 3.93Å; E188-Y192 VanDerWaalsContact O-CD2 3.32Å; E188-Y192 WeakPolarHBondContact O-CD2 3.5Å; E188-Y192 PolarHBondContact O-N 3.06Å
189	G	51	Low	54.8	Low	52 Å²	52	97.6 Å²	97.6	54%	0.536	53%	0.525	S	S	.	.	H	α-helix	trans	-60.1	-31.4	178.4	0	0	0	0	0	114.2	D185 G193	D185-G189 PolarHBondContact O-N 2.97Å; G189-G193 WeakPolarHBondContact O-CA 3.35Å; G189-G193 PolarHBondContact O-N 3.12Å; G189-G193 VanDerWaalsContact O-N 3.15Å
190	S	49.3	Very low	54.4	Low	61 Å²	61	94.7 Å²	94.7	43%	0.427	52%	0.517	S	S	.	.	H	α-helix	trans	-87.4	-25.7	178.8	53.4	0	0	0	0	114.7	L186 L187 E188	L186-S190 WeakPolarHBondContact O-CB 3.37Å; L186-S190 PolarHBondContact O-N 3.15Å; L186-S190 VanDerWaalsContact O-N 3.12Å; L186-S190 PolarHBondContact O-OG 2.94Å; L187-S190 WeakPolarHBondContact CA-OG 3.37Å; L187-S190 PolarHBondContact O-N 2.85Å; L187-S190 PolarHBondContact O-OG 3.33Å; E188-S190 VanDerWaalsContact C-N 3.26Å; E188-S190 PolarHBondContact O-N 3.31Å
191	M	52.2	Low	53.9	Low	127 Å²	127	93.5 Å²	93.5	63%	0.626	51%	0.514	S	S	*	.	H	α-helix	trans	-81.3	-38.6	172.2	-72.3	-158.6	-59.9	0	0	113	L187 E188	L187-M191 WeakPolarHBondContact O-CB 3.25Å; L187-M191 WeakPolarHBondContact O-CG 3.27Å; L187-M191 PolarHBondContact O-N 3.33Å; E188-M191 PolarHBondContact O-N 3.16Å
192	Y	46.6	Very low	53.8	Low	164 Å²	164	96.2 Å²	96.2	64%	0.643	53%	0.527	S	S	*	.	H	α-helix	trans	-87.1	-20.4	-179.9	-67.2	-74.8	0	0	0	113.7	E188 L194	E188-Y192 HydrophobicContact CG-CD2 3.69Å; E188-Y192 HydrophobicContact CG-CE2 3.93Å; E188-Y192 VanDerWaalsContact O-CD2 3.32Å; E188-Y192 WeakPolarHBondContact O-CD2 3.5Å; E188-Y192 PolarHBondContact O-N 3.06Å; Y192-L194 VanDerWaalsContact C-N 3.3Å; Y192-L194 PolarHBondContact O-N 2.85Å
193	G	47.7	Very low	53.5	Low	62 Å²	62	95.2 Å²	95.2	64%	0.639	52%	0.521	S	S	*	.	S	Bend	trans	-75.2	-11.1	175.3	0	0	0	0	0	115.4	G189	G189-G193 WeakPolarHBondContact O-CA 3.35Å; G189-G193 PolarHBondContact O-N 3.12Å; G189-G193 VanDerWaalsContact O-N 3.15Å
194	L	52.3	Low	53.5	Low	134 Å²	134	94.2 Å²	94.2	70%	0.702	52%	0.52	S	S	*	.	S	Bend	trans	-96.4	99.7	179.3	-78.6	172.4	0	0	0	111.6	Y192 L196	Y192-L194 VanDerWaalsContact C-N 3.3Å; Y192-L194 PolarHBondContact O-N 2.85Å; L194-L196 PolarHBondContact O-N 2.86Å
195	D	44.7	Very low	53.4	Low	66 Å²	66	99.6 Å²	99.6	35%	0.353	54%	0.542	S	S	.	.			trans	-58.8	98	173.8	-178.8	-16.6	0	0	0	111.7	L197 K198 L199	D195-L197 PolarHBondContact O-N 3.12Å; D195-L197 WeakPolarHBondContact OD1-CA 3.1Å; D195-L197 VanDerWaalsContact OD1-CB 3.28Å; D195-L197 WeakPolarHBondContact OD1-CB 3.41Å; D195-L197 PolarHBondContact OD1-N 3.14Å; D195-K198 HydrophobicContact CB-CB 4.11Å; D195-K198 HydrophobicContact CB-CD 4.14Å; D195-K198 HydrophobicContact CB-CG 4.22Å; D195-K198 WeakPolarHBondContact O-CB 3.44Å; D195-K198 PolarHBondContact O-N 2.81Å; D195-K198 VanDerWaalsContact O-N 3.08Å; D195-K198 PolarHBondContact OD1-N 3.16Å; D195-K198 WeakPolarHBondContact OD2-CD 3.09Å; D195-K198 WeakPolarHBondContact OD2-CE 3.28Å; D195-K198 VanDerWaalsContact OD2-CG 3.29Å; D195-K198 WeakPolarHBondContact OD2-CG 3.24Å; D195-K198 IonicContact OD2-NZ 2.63Å; D195-K198 PolarHBondContact OD2-NZ 2.91Å; D195-L199 PolarHBondContact O-N 3.13Å
196	L	52	Low	53.5	Low	129 Å²	129	99.9 Å²	99.9	68%	0.675	54%	0.543	S	S	*	.	H	α-helix	trans	-60.5	-25.2	178.8	-77	160.7	0	0	0	113.1	L194 L199 N200	L194-L196 PolarHBondContact O-N 2.86Å; L196-L199 HydrophobicContact CD2-CD2 4.42Å; L196-L199 PolarHBondContact O-N 2.82Å; L196-N200 WeakPolarHBondContact O-CB 3.21Å; L196-N200 PolarHBondContact O-N 3.01Å
197	L	45.5	Very low	53.9	Low	141 Å²	141	98.9 Å²	98.9	74%	0.738	54%	0.538	S	S	*	.	H	α-helix	trans	-74.2	-38.5	175.5	-55.9	174.5	0	0	0	110.5	D195 N200 S201	D195-L197 PolarHBondContact O-N 3.12Å; D195-L197 WeakPolarHBondContact OD1-CA 3.1Å; D195-L197 VanDerWaalsContact OD1-CB 3.28Å; D195-L197 WeakPolarHBondContact OD1-CB 3.41Å; D195-L197 PolarHBondContact OD1-N 3.14Å; L197-N200 PolarHBondContact O-N 3.16Å; L197-S201 VanDerWaalsContact O-CB 3.25Å; L197-S201 WeakPolarHBondContact O-CB 3.1Å; L197-S201 PolarHBondContact O-N 2.89Å
198	K	43.9	Very low	54.4	Low	139 Å²	139	97.3 Å²	97.3	60%	0.604	54%	0.539	S	S	*	.	H	α-helix	trans	-63.8	-42.4	169.4	-77.2	-179.8	-172.3	90	0	111.7	D195 S201 V202	D195-K198 HydrophobicContact CB-CB 4.11Å; D195-K198 HydrophobicContact CB-CD 4.14Å; D195-K198 HydrophobicContact CB-CG 4.22Å; D195-K198 WeakPolarHBondContact O-CB 3.44Å; D195-K198 PolarHBondContact O-N 2.81Å; D195-K198 VanDerWaalsContact O-N 3.08Å; D195-K198 PolarHBondContact OD1-N 3.16Å; D195-K198 WeakPolarHBondContact OD2-CD 3.09Å; D195-K198 WeakPolarHBondContact OD2-CE 3.28Å; D195-K198 VanDerWaalsContact OD2-CG 3.29Å; D195-K198 WeakPolarHBondContact OD2-CG 3.24Å; D195-K198 IonicContact OD2-NZ 2.63Å; D195-K198 PolarHBondContact OD2-NZ 2.91Å; K198-S201 PolarHBondContact O-N 2.8Å; K198-V202 WeakPolarHBondContact O-CG2 3.3Å; K198-V202 PolarHBondContact O-N 3.47Å
199	L	52.6	Low	54.9	Low	111 Å²	111	101.7 Å²	101.7	58%	0.581	55%	0.552	S	S	*	*	H	α-helix	trans	-58.4	-50.6	175.6	-169.6	76.5	0	0	0	110.8	D195 L196 S201 V202 T203	D195-L199 PolarHBondContact O-N 3.13Å; L196-L199 HydrophobicContact CD2-CD2 4.42Å; L196-L199 PolarHBondContact O-N 2.82Å; L199-S201 VanDerWaalsContact C-N 3.32Å; L199-S201 PolarHBondContact O-N 3.35Å; L199-V202 PolarHBondContact O-N 3.46Å; L199-V202 VanDerWaalsContact O-N 3.17Å; L199-T203 PolarHBondContact O-N 2.77Å; L199-T203 PolarHBondContact O-OG1 3.46Å; L199-T203 VanDerWaalsContact O-OG1 3.11Å
200	N	51.1	Low	56	Low	101 Å²	101	103.3 Å²	103.3	54%	0.54	55%	0.551	S	S	.	*	H	α-helix	trans	-65.3	-35.1	179.6	-153.9	0.4	0	0	0	112.1	L196 L197 T203 T204	L196-N200 WeakPolarHBondContact O-CB 3.21Å; L196-N200 PolarHBondContact O-N 3.01Å; L197-N200 PolarHBondContact O-N 3.16Å; N200-T203 PolarHBondContact O-N 2.77Å; N200-T204 WeakPolarHBondContact O-CB 2.95Å; N200-T204 WeakPolarHBondContact O-CG2 3.01Å; N200-T204 PolarHBondContact O-N 3.44Å; N200-T204 PolarHBondContact O-OG1 2.77Å
201	S	50.5	Low	57	Low	42 Å²	42	103.6 Å²	103.6	29%	0.294	55%	0.547	S	S	.	.	H	α-helix	trans	-65	-37.3	172.9	-161.9	0	0	0	0	112.9	L197 K198 L199 T204 K205	L197-S201 VanDerWaalsContact O-CB 3.25Å; L197-S201 WeakPolarHBondContact O-CB 3.1Å; L197-S201 PolarHBondContact O-N 2.89Å; K198-S201 PolarHBondContact O-N 2.8Å; L199-S201 VanDerWaalsContact C-N 3.32Å; L199-S201 PolarHBondContact O-N 3.35Å; S201-T204 WeakPolarHBondContact CA-OG1 3.46Å; S201-T204 PolarHBondContact O-OG1 3.3Å; S201-K205 VanDerWaalsContact O-CB 3.28Å; S201-K205 WeakPolarHBondContact O-CB 3.41Å; S201-K205 VanDerWaalsContact O-CD 3.27Å; S201-K205 WeakPolarHBondContact O-CD 3.2Å; S201-K205 WeakPolarHBondContact O-CG 3.27Å; S201-K205 PolarHBondContact O-N 3.31Å; S201-K205 VanDerWaalsContact O-N 3.09Å; S201-K205 PolarHBondContact OG-NZ 2.78Å
202	V	58.4	Low	58	Low	85 Å²	85	100.3 Å²	100.3	52%	0.515	54%	0.537	S	S	.	.	H	α-helix	trans	-70.4	-44.8	175.4	169.1	0	0	0	0	110.8	K198 L199 K205 L206	K198-V202 WeakPolarHBondContact O-CG2 3.3Å; K198-V202 PolarHBondContact O-N 3.47Å; L199-V202 PolarHBondContact O-N 3.46Å; L199-V202 VanDerWaalsContact O-N 3.17Å; V202-K205 PolarHBondContact O-N 3.27Å; V202-L206 HydrophobicContact CG1-CD1 4.07Å; V202-L206 WeakPolarHBondContact O-CB 3.27Å; V202-L206 PolarHBondContact O-N 2.82Å
203	T	59.4	Low	59.2	Low	65 Å²	65	98.1 Å²	98.1	40%	0.399	54%	0.536	S	S	.	.	H	α-helix	trans	-62.4	-46.1	177.9	-58	0	0	0	0	112	L199 N200 K205 L206 L207	L199-T203 PolarHBondContact O-N 2.77Å; L199-T203 PolarHBondContact O-OG1 3.46Å; L199-T203 VanDerWaalsContact O-OG1 3.11Å; N200-T203 PolarHBondContact O-N 2.77Å; T203-K205 PolarHBondContact O-N 3.29Å; T203-L206 WeakPolarHBondContact O-CB 3.33Å; T203-L206 PolarHBondContact O-N 3.36Å; T203-L207 HydrophobicContact CG2-CD1 4.19Å; T203-L207 WeakPolarHBondContact O-CG 3.38Å; T203-L207 PolarHBondContact O-N 3.2Å
204	T	63.1	Low	60.3	Low	74 Å²	74	100.9 Å²	100.9	45%	0.454	53%	0.532	S	S	.	.	H	α-helix	trans	-65.6	-37.5	176	49.1	0	0	0	0	112.8	N200 S201 L206 L207 A208	N200-T204 WeakPolarHBondContact O-CB 2.95Å; N200-T204 WeakPolarHBondContact O-CG2 3.01Å; N200-T204 PolarHBondContact O-N 3.44Å; N200-T204 PolarHBondContact O-OG1 2.77Å; S201-T204 WeakPolarHBondContact CA-OG1 3.46Å; S201-T204 PolarHBondContact O-OG1 3.3Å; T204-L206 VanDerWaalsContact C-N 3.33Å; T204-L206 PolarHBondContact O-N 3.35Å; T204-L207 PolarHBondContact O-N 3.34Å; T204-A208 WeakPolarHBondContact O-CB 3.37Å; T204-A208 PolarHBondContact O-N 3.36Å
205	K	63.4	Low	61.3	Low	128 Å²	128	100.6 Å²	100.6	56%	0.557	53%	0.525	S	S	*	.	H	α-helix	trans	-67.3	-30	172.3	-75.3	166.1	-175.9	149.8	0	113.1	S201 V202 T203 R209	S201-K205 VanDerWaalsContact O-CB 3.28Å; S201-K205 WeakPolarHBondContact O-CB 3.41Å; S201-K205 VanDerWaalsContact O-CD 3.27Å; S201-K205 WeakPolarHBondContact O-CD 3.2Å; S201-K205 WeakPolarHBondContact O-CG 3.27Å; S201-K205 PolarHBondContact O-N 3.31Å; S201-K205 VanDerWaalsContact O-N 3.09Å; S201-K205 PolarHBondContact OG-NZ 2.78Å; V202-K205 PolarHBondContact O-N 3.27Å; T203-K205 PolarHBondContact O-N 3.29Å; K205-R209 WeakPolarHBondContact O-CB 3.47Å; K205-R209 VanDerWaalsContact O-CG 3.29Å; K205-R209 WeakPolarHBondContact O-CG 3.32Å; K205-R209 PolarHBondContact O-N 3.05Å
206	L	61.6	Low	62.8	Low	104 Å²	104	101.6 Å²	101.6	55%	0.545	53%	0.534	S	S	.	.	H	α-helix	trans	-70	-50.4	171.4	-89.5	161.4	0	0	0	111.1	V202 T203 T204 A208 R209 V210	V202-L206 HydrophobicContact CG1-CD1 4.07Å; V202-L206 WeakPolarHBondContact O-CB 3.27Å; V202-L206 PolarHBondContact O-N 2.82Å; T203-L206 WeakPolarHBondContact O-CB 3.33Å; T203-L206 PolarHBondContact O-N 3.36Å; T204-L206 VanDerWaalsContact C-N 3.33Å; T204-L206 PolarHBondContact O-N 3.35Å; L206-A208 PolarHBondContact O-N 2.93Å; L206-R209 WeakPolarHBondContact O-CA 3.23Å; L206-R209 WeakPolarHBondContact O-CB 3.37Å; L206-R209 PolarHBondContact O-N 2.98Å; L206-V210 WeakPolarHBondContact O-CG2 3.39Å; L206-V210 PolarHBondContact O-N 2.63Å
207	L	69.1	Low	63.7	Low	112 Å²	112	101.6 Å²	101.6	59%	0.586	53%	0.528	S	S	*	.	H	α-helix	trans	-57.1	-47.3	177.1	-70.9	167.9	0	0	0	111.8	T203 T204 R209 V210 D211	T203-L207 HydrophobicContact CG2-CD1 4.19Å; T203-L207 WeakPolarHBondContact O-CG 3.38Å; T203-L207 PolarHBondContact O-N 3.2Å; T204-L207 PolarHBondContact O-N 3.34Å; L207-R209 VanDerWaalsContact C-N 3.27Å; L207-R209 PolarHBondContact O-N 2.88Å; L207-V210 PolarHBondContact O-N 2.76Å; L207-V210 VanDerWaalsContact O-N 3.16Å; L207-D211 WeakPolarHBondContact O-CB 3.38Å; L207-D211 PolarHBondContact O-N 3.23Å
208	A	68.1	Low	64.8	Low	60 Å²	60	98.5 Å²	98.5	50%	0.496	52%	0.516	S	S	.	.	H	α-helix	trans	-62.3	-31.5	175.9	0	0	0	0	0	113.2	T204 L206 S212	T204-A208 WeakPolarHBondContact O-CB 3.37Å; T204-A208 PolarHBondContact O-N 3.36Å; L206-A208 PolarHBondContact O-N 2.93Å; A208-S212 WeakPolarHBondContact O-CB 3.36Å; A208-S212 PolarHBondContact O-N 3.06Å
209	R	69.7	Low	66.1	Low	179 Å²	179	100.8 Å²	100.8	68%	0.675	52%	0.52	S	S	*	.	H	α-helix	trans	-72.8	-40.6	173.2	-80.1	178.9	177.3	-144.6	-0.5	112.1	K205 L206 L207 S212 L213	K205-R209 WeakPolarHBondContact O-CB 3.47Å; K205-R209 VanDerWaalsContact O-CG 3.29Å; K205-R209 WeakPolarHBondContact O-CG 3.32Å; K205-R209 PolarHBondContact O-N 3.05Å; L206-R209 WeakPolarHBondContact O-CA 3.23Å; L206-R209 WeakPolarHBondContact O-CB 3.37Å; L206-R209 PolarHBondContact O-N 2.98Å; L207-R209 VanDerWaalsContact C-N 3.27Å; L207-R209 PolarHBondContact O-N 2.88Å; R209-S212 PolarHBondContact O-N 3.19Å; R209-S212 PolarHBondContact O-OG 3.46Å; R209-L213 WeakPolarHBondContact O-CB 3.21Å; R209-L213 PolarHBondContact O-N 3.17Å
210	V	75.1	Confident	66.9	Low	86 Å²	86	99.7 Å²	99.7	52%	0.521	52%	0.515	S	S	.	.	H	α-helix	trans	-61.9	-48.8	175.3	172.7	0	0	0	0	110.5	L206 L207 S212 L213 E214	L206-V210 WeakPolarHBondContact O-CG2 3.39Å; L206-V210 PolarHBondContact O-N 2.63Å; L207-V210 PolarHBondContact O-N 2.76Å; L207-V210 VanDerWaalsContact O-N 3.16Å; V210-S212 VanDerWaalsContact C-N 3.33Å; V210-S212 PolarHBondContact O-N 3.14Å; V210-L213 CarbonylContact O-C 3.49Å; V210-L213 WeakPolarHBondContact O-CA 3.48Å; V210-L213 VanDerWaalsContact O-CB 3.29Å; V210-L213 WeakPolarHBondContact O-CB 3.16Å; V210-L213 PolarHBondContact O-N 3.49Å; V210-E214 PolarHBondContact O-N 2.86Å
211	D	70.8	Confident	67.5	Low	66 Å²	66	100.6 Å²	100.6	35%	0.353	52%	0.515	S	S	.	.	H	α-helix	trans	-56.6	-42.6	173.7	171	69.3	0	0	0	112.5	L207 L213 E214 K215	L207-D211 WeakPolarHBondContact O-CB 3.38Å; L207-D211 PolarHBondContact O-N 3.23Å; D211-L213 VanDerWaalsContact C-N 3.31Å; D211-L213 PolarHBondContact O-N 2.87Å; D211-E214 PolarHBondContact O-N 2.82Å; D211-K215 WeakPolarHBondContact O-CB 3.31Å; D211-K215 WeakPolarHBondContact O-CG 3.43Å; D211-K215 PolarHBondContact O-N 2.84Å; D211-K215 WeakPolarHBondContact OD1-CE 3.16Å; D211-K215 IonicContact OD1-NZ 2.69Å; D211-K215 PolarHBondContact OD1-NZ 3.11Å; D211-K215 IonicContact OD2-NZ 2.73Å; D211-K215 PolarHBondContact OD2-NZ 2.88Å
212	S	71.8	Confident	68.3	Low	59 Å²	59	101.7 Å²	101.7	41%	0.413	52%	0.519	S	S	.	.	H	α-helix	trans	-63.9	-36.1	174.7	81	0	0	0	0	112.7	A208 R209 V210 V216	A208-S212 WeakPolarHBondContact O-CB 3.36Å; A208-S212 PolarHBondContact O-N 3.06Å; R209-S212 PolarHBondContact O-N 3.19Å; R209-S212 PolarHBondContact O-OG 3.46Å; V210-S212 VanDerWaalsContact C-N 3.33Å; V210-S212 PolarHBondContact O-N 3.14Å; S212-V216 WeakPolarHBondContact O-CB 3.39Å; S212-V216 VanDerWaalsContact O-CG2 3.26Å; S212-V216 WeakPolarHBondContact O-CG2 3.47Å; S212-V216 PolarHBondContact O-N 2.98Å
213	L	71.5	Confident	68.8	Low	118 Å²	118	101.9 Å²	101.9	62%	0.618	52%	0.515	S	S	*	.	H	α-helix	trans	-69.3	-43.9	177.3	-110.8	151.2	0	0	0	111	R209 V210 D211 V216 F217	R209-L213 WeakPolarHBondContact O-CB 3.21Å; R209-L213 PolarHBondContact O-N 3.17Å; V210-L213 CarbonylContact O-C 3.49Å; V210-L213 WeakPolarHBondContact O-CA 3.48Å; V210-L213 VanDerWaalsContact O-CB 3.29Å; V210-L213 WeakPolarHBondContact O-CB 3.16Å; V210-L213 PolarHBondContact O-N 3.49Å; D211-L213 VanDerWaalsContact C-N 3.31Å; D211-L213 PolarHBondContact O-N 2.87Å; L213-V216 PolarHBondContact O-N 2.88Å; L213-F217 VanDerWaalsContact O-CB 3.24Å; L213-F217 WeakPolarHBondContact O-CB 3.28Å; L213-F217 PolarHBondContact O-N 3.06Å
214	E	71.9	Confident	68.9	Low	120 Å²	120	107 Å²	107	56%	0.561	53%	0.527	S	S	*	.	H	α-helix	trans	-63.3	-44.6	175.8	-175.7	170.7	-167.5	0	0	111.6	V210 D211 V216 F217 T218	V210-E214 PolarHBondContact O-N 2.86Å; D211-E214 PolarHBondContact O-N 2.82Å; E214-V216 VanDerWaalsContact C-N 3.34Å; E214-V216 PolarHBondContact O-N 2.84Å; E214-F217 PolarHBondContact O-N 2.84Å; E214-T218 VanDerWaalsContact O-CB 3.31Å; E214-T218 WeakPolarHBondContact O-CB 3.11Å; E214-T218 PolarHBondContact O-N 2.85Å; E214-T218 PolarHBondContact O-OG1 3.22Å; E214-T218 VanDerWaalsContact O-OG1 3.08Å
215	K	74.1	Confident	69	Low	127 Å²	127	106 Å²	106	55%	0.552	53%	0.526	S	S	*	.	H	α-helix	trans	-62.4	-38.8	174.6	-75.2	167	-178.9	161.1	0	112.4	D211 R219	D211-K215 WeakPolarHBondContact O-CB 3.31Å; D211-K215 WeakPolarHBondContact O-CG 3.43Å; D211-K215 PolarHBondContact O-N 2.84Å; D211-K215 WeakPolarHBondContact OD1-CE 3.16Å; D211-K215 IonicContact OD1-NZ 2.69Å; D211-K215 PolarHBondContact OD1-NZ 3.11Å; D211-K215 IonicContact OD2-NZ 2.73Å; D211-K215 PolarHBondContact OD2-NZ 2.88Å; K215-R219 WeakPolarHBondContact O-CB 3.05Å; K215-R219 PolarHBondContact O-N 2.9Å
216	V	76.2	Confident	69.2	Low	87 Å²	87	104.7 Å²	104.7	53%	0.527	52%	0.52	S	S	.	.	H	α-helix	trans	-70.5	-38.5	173.8	168.2	0	0	0	0	111.9	S212 L213 E214 N220	S212-V216 WeakPolarHBondContact O-CB 3.39Å; S212-V216 VanDerWaalsContact O-CG2 3.26Å; S212-V216 WeakPolarHBondContact O-CG2 3.47Å; S212-V216 PolarHBondContact O-N 2.98Å; L213-V216 PolarHBondContact O-N 2.88Å; E214-V216 VanDerWaalsContact C-N 3.34Å; E214-V216 PolarHBondContact O-N 2.84Å; V216-N220 WeakPolarHBondContact CG1-ND2 3.47Å; V216-N220 WeakPolarHBondContact O-CB 3.39Å; V216-N220 PolarHBondContact O-N 3.46Å; V216-N220 PolarHBondContact O-ND2 2.78Å
217	F	69.1	Low	69.6	Low	129 Å²	129	104.9 Å²	104.9	57%	0.566	52%	0.518	S	S	*	.	H	α-helix	trans	-66.7	-51.9	178.8	-169.1	-95.3	0	0	0	111	L213 E214 R219 N220 F221	L213-F217 VanDerWaalsContact O-CB 3.24Å; L213-F217 WeakPolarHBondContact O-CB 3.28Å; L213-F217 PolarHBondContact O-N 3.06Å; E214-F217 PolarHBondContact O-N 2.84Å; F217-R219 PolarHBondContact O-N 2.99Å; F217-N220 WeakPolarHBondContact O-CB 3.23Å; F217-N220 PolarHBondContact O-N 2.82Å; F217-N220 VanDerWaalsContact O-N 3.15Å; F217-F221 AromaticContact CD1-CD2 3.98Å; F217-F221 HydrophobicContact CD1-CD2 3.98Å; F217-F221 HydrophobicContact CD1-CE2 4.09Å; F217-F221 AromaticContact CE1-CD2 3.78Å; F217-F221 HydrophobicContact CE1-CD2 3.78Å; F217-F221 AromaticContact CE1-CE2 3.45Å; F217-F221 HydrophobicContact CE1-CE2 3.45Å; F217-F221 VanDerWaalsContact CE1-CE2 3.45Å; F217-F221 HydrophobicContact CE1-CZ 4.19Å; F217-F221 AromaticContact CE2-CE2 3.98Å; F217-F221 HydrophobicContact CE2-CE2 3.98Å; F217-F221 HydrophobicContact CG-CD2 4.49Å; F217-F221 HydrophobicContact CZ-CD2 4.14Å; F217-F221 AromaticContact CZ-CE2 3.4Å; F217-F221 HydrophobicContact CZ-CE2 3.4Å; F217-F221 HydrophobicContact CZ-CZ 4.1Å; F217-F221 PolarHBondContact O-N 2.79Å
218	T	69.9	Low	69.4	Low	77 Å²	77	106.8 Å²	106.8	47%	0.472	52%	0.522	S	S	.	.	H	α-helix	trans	-56.1	-48.7	174.8	-64.4	0	0	0	0	111.1	E214 N220 F221 T222	E214-T218 VanDerWaalsContact O-CB 3.31Å; E214-T218 WeakPolarHBondContact O-CB 3.11Å; E214-T218 PolarHBondContact O-N 2.85Å; E214-T218 PolarHBondContact O-OG1 3.22Å; E214-T218 VanDerWaalsContact O-OG1 3.08Å; T218-N220 VanDerWaalsContact C-N 3.33Å; T218-N220 PolarHBondContact O-N 3.19Å; T218-F221 PolarHBondContact O-N 2.78Å; T218-F221 VanDerWaalsContact O-N 3.1Å; T218-T222 PolarHBondContact O-N 2.83Å; T218-T222 PolarHBondContact O-OG1 2.83Å
219	R	71.9	Confident	69.3	Low	186 Å²	186	108.1 Å²	108.1	70%	0.702	52%	0.518	S	S	*	.	H	α-helix	trans	-60.4	-40	177.1	-172.3	173.2	-178.7	170	0.3	112.7	K215 F217 T222 E223	K215-R219 WeakPolarHBondContact O-CB 3.05Å; K215-R219 PolarHBondContact O-N 2.9Å; F217-R219 PolarHBondContact O-N 2.99Å; R219-T222 PolarHBondContact O-N 2.76Å; R219-E223 PolarHBondContact O-N 3.16Å
220	N	67.7	Low	69.2	Low	88 Å²	88	107.4 Å²	107.4	47%	0.471	52%	0.515	S	S	.	.	H	α-helix	trans	-65.7	-35.6	174.6	-84.6	-55.8	0	0	0	112.8	V216 F217 T218 R224	V216-N220 WeakPolarHBondContact CG1-ND2 3.47Å; V216-N220 WeakPolarHBondContact O-CB 3.39Å; V216-N220 PolarHBondContact O-N 3.46Å; V216-N220 PolarHBondContact O-ND2 2.78Å; F217-N220 WeakPolarHBondContact O-CB 3.23Å; F217-N220 PolarHBondContact O-N 2.82Å; F217-N220 VanDerWaalsContact O-N 3.15Å; T218-N220 VanDerWaalsContact C-N 3.33Å; T218-N220 PolarHBondContact O-N 3.19Å; N220-R224 VanDerWaalsContact O-CB 3.26Å; N220-R224 WeakPolarHBondContact O-CB 3.35Å; N220-R224 VanDerWaalsContact O-CG 3.28Å; N220-R224 WeakPolarHBondContact O-CG 3.32Å; N220-R224 PolarHBondContact O-N 2.68Å
221	F	64.9	Low	68.9	Low	121 Å²	121	107.4 Å²	107.4	53%	0.531	51%	0.511	S	S	.	.	H	α-helix	trans	-67.3	-44.5	172.9	-95.4	-101.9	0	0	0	111.8	F217 T218 E223 R224 A225	F217-F221 AromaticContact CD1-CD2 3.98Å; F217-F221 HydrophobicContact CD1-CD2 3.98Å; F217-F221 HydrophobicContact CD1-CE2 4.09Å; F217-F221 AromaticContact CE1-CD2 3.78Å; F217-F221 HydrophobicContact CE1-CD2 3.78Å; F217-F221 AromaticContact CE1-CE2 3.45Å; F217-F221 HydrophobicContact CE1-CE2 3.45Å; F217-F221 VanDerWaalsContact CE1-CE2 3.45Å; F217-F221 HydrophobicContact CE1-CZ 4.19Å; F217-F221 AromaticContact CE2-CE2 3.98Å; F217-F221 HydrophobicContact CE2-CE2 3.98Å; F217-F221 HydrophobicContact CG-CD2 4.49Å; F217-F221 HydrophobicContact CZ-CD2 4.14Å; F217-F221 AromaticContact CZ-CE2 3.4Å; F217-F221 HydrophobicContact CZ-CE2 3.4Å; F217-F221 HydrophobicContact CZ-CZ 4.1Å; F217-F221 PolarHBondContact O-N 2.79Å; T218-F221 PolarHBondContact O-N 2.78Å; T218-F221 VanDerWaalsContact O-N 3.1Å; F221-E223 PolarHBondContact O-N 2.9Å; F221-R224 PolarHBondContact O-N 2.88Å; F221-A225 WeakPolarHBondContact O-CB 3.46Å; F221-A225 PolarHBondContact O-N 3.35Å
222	T	66.3	Low	68.5	Low	64 Å²	64	109.3 Å²	109.3	39%	0.393	52%	0.517	S	S	.	.	H	α-helix	trans	-63.1	-41.9	178.3	-46.6	0	0	0	0	112.1	T218 R219 A225 K226	T218-T222 PolarHBondContact O-N 2.83Å; T218-T222 PolarHBondContact O-OG1 2.83Å; R219-T222 PolarHBondContact O-N 2.76Å; T222-A225 PolarHBondContact O-N 2.6Å; T222-K226 VanDerWaalsContact O-CG 3.32Å; T222-K226 WeakPolarHBondContact O-CG 3.34Å; T222-K226 PolarHBondContact O-N 2.88Å; T222-K226 VanDerWaalsContact O-N 3.07Å
223	E	68.5	Low	68.1	Low	90 Å²	90	110.4 Å²	110.4	42%	0.421	52%	0.518	S	S	.	.	H	α-helix	trans	-70.6	-39.8	174.9	-65.3	-49.2	122.8	0	0	112.3	R219 F221 A225 K226 E227	R219-E223 PolarHBondContact O-N 3.16Å; F221-E223 PolarHBondContact O-N 2.9Å; E223-A225 VanDerWaalsContact C-N 3.27Å; E223-A225 PolarHBondContact O-N 2.8Å; E223-K226 PolarHBondContact O-N 3.43Å; E223-K226 WeakPolarHBondContact OE1-CD 3.25Å; E223-K226 IonicContact OE1-NZ 2.65Å; E223-K226 PolarHBondContact OE1-NZ 2.86Å; E223-E227 WeakPolarHBondContact O-CB 3.39Å; E223-E227 PolarHBondContact O-N 3.36Å
224	R	61.8	Low	67.7	Low	173 Å²	173	111.6 Å²	111.6	65%	0.653	52%	0.518	S	S	*	.	H	α-helix	trans	-63.1	-31.3	172.9	-79	177.3	167.8	-174	-3.1	113.1	N220 F221 K228	N220-R224 VanDerWaalsContact O-CB 3.26Å; N220-R224 WeakPolarHBondContact O-CB 3.35Å; N220-R224 VanDerWaalsContact O-CG 3.28Å; N220-R224 WeakPolarHBondContact O-CG 3.32Å; N220-R224 PolarHBondContact O-N 2.68Å; F221-R224 PolarHBondContact O-N 2.88Å; R224-K228 WeakPolarHBondContact O-CB 3.46Å; R224-K228 WeakPolarHBondContact O-CG 3.44Å; R224-K228 PolarHBondContact O-N 3.12Å; R224-K228 VanDerWaalsContact O-N 3.07Å
225	A	65	Low	67.2	Low	53 Å²	53	109.3 Å²	109.3	44%	0.438	51%	0.509	S	S	.	.	H	α-helix	trans	-69	-46.6	173.1	0	0	0	0	0	111.5	F221 T222 E223 E227 K228 E229	F221-A225 WeakPolarHBondContact O-CB 3.46Å; F221-A225 PolarHBondContact O-N 3.35Å; T222-A225 PolarHBondContact O-N 2.6Å; E223-A225 VanDerWaalsContact C-N 3.27Å; E223-A225 PolarHBondContact O-N 2.8Å; A225-E227 VanDerWaalsContact C-N 3.34Å; A225-E227 PolarHBondContact O-N 3.41Å; A225-K228 PolarHBondContact O-N 3.08Å; A225-E229 PolarHBondContact O-N 2.8Å
226	K	68.8	Low	66.5	Low	99 Å²	99	108.1 Å²	108.1	43%	0.43	50%	0.504	S	S	.	.	H	α-helix	trans	-60.4	-40.7	174.6	-69.9	164.9	-177.6	170.3	0	112.4	T222 E223 R230	T222-K226 VanDerWaalsContact O-CG 3.32Å; T222-K226 WeakPolarHBondContact O-CG 3.34Å; T222-K226 PolarHBondContact O-N 2.88Å; T222-K226 VanDerWaalsContact O-N 3.07Å; E223-K226 PolarHBondContact O-N 3.43Å; E223-K226 WeakPolarHBondContact OE1-CD 3.25Å; E223-K226 IonicContact OE1-NZ 2.65Å; E223-K226 PolarHBondContact OE1-NZ 2.86Å; K226-R230 WeakPolarHBondContact O-CB 3.11Å; K226-R230 VanDerWaalsContact O-CG 3.26Å; K226-R230 WeakPolarHBondContact O-CG 3.47Å; K226-R230 PolarHBondContact O-N 2.94Å
227	E	69.8	Low	65.8	Low	109 Å²	109	108.8 Å²	108.8	51%	0.509	51%	0.505	S	S	.	.	H	α-helix	trans	-62.1	-47	175.1	-166.1	71.3	-111.5	0	0	111	E223 A225 R230 I231	E223-E227 WeakPolarHBondContact O-CB 3.39Å; E223-E227 PolarHBondContact O-N 3.36Å; A225-E227 VanDerWaalsContact C-N 3.34Å; A225-E227 PolarHBondContact O-N 3.41Å; E227-R230 PolarHBondContact O-N 2.76Å; E227-I231 HydrophobicContact CG-CD1 4.18Å; E227-I231 WeakPolarHBondContact O-CG1 3.37Å; E227-I231 PolarHBondContact O-N 3.43Å
228	K	64.8	Low	65.3	Low	152 Å²	152	108.9 Å²	108.9	66%	0.661	51%	0.505	S	S	*	.	H	α-helix	trans	-59.5	-47.6	177.4	-80.2	178.4	176.3	-175.4	0	112.7	R224 A225 I231 K232	R224-K228 WeakPolarHBondContact O-CB 3.46Å; R224-K228 WeakPolarHBondContact O-CG 3.44Å; R224-K228 PolarHBondContact O-N 3.12Å; R224-K228 VanDerWaalsContact O-N 3.07Å; A225-K228 PolarHBondContact O-N 3.08Å; K228-I231 PolarHBondContact O-N 2.83Å; K228-K232 WeakPolarHBondContact O-CB 3.22Å; K228-K232 PolarHBondContact O-N 2.88Å
229	E	65.9	Low	64.7	Low	88 Å²	88	109.6 Å²	109.6	41%	0.411	51%	0.506	S	S	.	.	H	α-helix	trans	-66.2	-38.8	177.4	-68.5	-56.8	118.5	0	0	112	A225 I231 K232 D233	A225-E229 PolarHBondContact O-N 2.8Å; E229-I231 VanDerWaalsContact C-N 3.26Å; E229-I231 PolarHBondContact O-N 3.38Å; E229-K232 WeakPolarHBondContact O-CB 3.48Å; E229-K232 PolarHBondContact O-N 2.79Å; E229-K232 VanDerWaalsContact O-N 3.09Å; E229-K232 VanDerWaalsContact OE1-CD 3.24Å; E229-K232 WeakPolarHBondContact OE1-CD 3.47Å; E229-K232 IonicContact OE1-NZ 2.78Å; E229-K232 PolarHBondContact OE1-NZ 2.78Å; E229-K232 VanDerWaalsContact OE2-CD 3.23Å; E229-K232 WeakPolarHBondContact OE2-CD 3.48Å; E229-K232 IonicContact OE2-NZ 3.63Å; E229-K232 PolarHBondContact OE2-NZ 2.84Å; E229-D233 PolarHBondContact O-N 2.8Å
230	R	67.1	Low	64.3	Low	164 Å²	164	106.9 Å²	106.9	62%	0.619	50%	0.499	S	S	*	.	H	α-helix	trans	-60.4	-31.7	173.5	-77.2	173.6	172.6	-171.7	-0.8	113.5	K226 E227 K234	K226-R230 WeakPolarHBondContact O-CB 3.11Å; K226-R230 VanDerWaalsContact O-CG 3.26Å; K226-R230 WeakPolarHBondContact O-CG 3.47Å; K226-R230 PolarHBondContact O-N 2.94Å; E227-R230 PolarHBondContact O-N 2.76Å; R230-K234 WeakPolarHBondContact O-CB 3.25Å; R230-K234 WeakPolarHBondContact O-CD 3.43Å; R230-K234 VanDerWaalsContact O-CG 3.28Å; R230-K234 WeakPolarHBondContact O-CG 3.37Å; R230-K234 PolarHBondContact O-N 3.14Å
231	I	68.6	Low	63.8	Low	85 Å²	85	110.4 Å²	110.4	44%	0.436	51%	0.511	S	S	.	.	H	α-helix	trans	-74.9	-40.5	173.6	-68.7	165.1	0	0	0	110.8	E227 K228 E229 K234 N235	E227-I231 HydrophobicContact CG-CD1 4.18Å; E227-I231 WeakPolarHBondContact O-CG1 3.37Å; E227-I231 PolarHBondContact O-N 3.43Å; K228-I231 PolarHBondContact O-N 2.83Å; E229-I231 VanDerWaalsContact C-N 3.26Å; E229-I231 PolarHBondContact O-N 3.38Å; I231-K234 PolarHBondContact O-N 2.83Å; I231-N235 PolarHBondContact O-N 2.56Å; I231-N235 VanDerWaalsContact O-N 3.08Å
232	K	62.6	Low	63.5	Low	107 Å²	107	108.7 Å²	108.7	47%	0.465	51%	0.51	S	S	.	.	H	α-helix	trans	-62.4	-44.4	179.9	-158.2	-176.3	-172.4	-175.8	0	112.1	K228 E229 N235 K236	K228-K232 WeakPolarHBondContact O-CB 3.22Å; K228-K232 PolarHBondContact O-N 2.88Å; E229-K232 WeakPolarHBondContact O-CB 3.48Å; E229-K232 PolarHBondContact O-N 2.79Å; E229-K232 VanDerWaalsContact O-N 3.09Å; E229-K232 VanDerWaalsContact OE1-CD 3.24Å; E229-K232 WeakPolarHBondContact OE1-CD 3.47Å; E229-K232 IonicContact OE1-NZ 2.78Å; E229-K232 PolarHBondContact OE1-NZ 2.78Å; E229-K232 VanDerWaalsContact OE2-CD 3.23Å; E229-K232 WeakPolarHBondContact OE2-CD 3.48Å; E229-K232 IonicContact OE2-NZ 3.63Å; E229-K232 PolarHBondContact OE2-NZ 2.84Å; K232-N235 PolarHBondContact O-N 3.47Å; K232-K236 PolarHBondContact O-N 3Å
233	D	63.2	Low	63	Low	81 Å²	81	112.4 Å²	112.4	43%	0.433	52%	0.523	S	S	.	.	H	α-helix	trans	-70.7	-38.6	176.1	-74.6	-23.5	0	0	0	112.5	E229 N235 K236 D237	E229-D233 PolarHBondContact O-N 2.8Å; D233-N235 PolarHBondContact O-N 2.91Å; D233-K236 PolarHBondContact O-N 2.81Å; D233-K236 IonicContact OD1-NZ 3.26Å; D233-K236 PolarHBondContact OD1-NZ 3.46Å; D233-D237 PolarHBondContact O-N 2.66Å
234	K	63.9	Low	62.4	Low	144 Å²	144	114.8 Å²	114.8	63%	0.626	54%	0.537	S	S	*	.	H	α-helix	trans	-59.5	-25.7	171.4	-81	175.8	-179.7	173.8	0	113.4	R230 I231 K238	R230-K234 WeakPolarHBondContact O-CB 3.25Å; R230-K234 WeakPolarHBondContact O-CD 3.43Å; R230-K234 VanDerWaalsContact O-CG 3.28Å; R230-K234 WeakPolarHBondContact O-CG 3.37Å; R230-K234 PolarHBondContact O-N 3.14Å; I231-K234 PolarHBondContact O-N 2.83Å; K234-K238 WeakPolarHBondContact O-CG 3.41Å
235	N	60.9	Low	61.9	Low	71 Å²	71	114.3 Å²	114.3	38%	0.38	54%	0.54	S	S	.	.	H	α-helix	trans	-84.6	-44.4	173.5	-74	-11.8	0	0	0	111.9	I231 K232 D233 D237 K238 D239	I231-N235 PolarHBondContact O-N 2.56Å; I231-N235 VanDerWaalsContact O-N 3.08Å; K232-N235 PolarHBondContact O-N 3.47Å; D233-N235 PolarHBondContact O-N 2.91Å; N235-D237 PolarHBondContact O-N 3.33Å; N235-D237 VanDerWaalsContact O-N 3.17Å; N235-K238 WeakPolarHBondContact O-CA 3.31Å; N235-K238 WeakPolarHBondContact O-CB 3.49Å; N235-K238 PolarHBondContact O-N 3.05Å; N235-K238 PolarHBondContact OD1-NZ 3.11Å; N235-D239 PolarHBondContact O-N 2.84Å
236	K	59.6	Low	61.3	Low	103 Å²	103	119.7 Å²	119.7	45%	0.448	55%	0.554	S	S	.	*	H	α-helix	trans	-50.8	-41.8	172.6	-77.7	177	-175.9	160.6	0	113	K232 D233 D239 K240	K232-K236 PolarHBondContact O-N 3Å; D233-K236 PolarHBondContact O-N 2.81Å; D233-K236 IonicContact OD1-NZ 3.26Å; D233-K236 PolarHBondContact OD1-NZ 3.46Å; K236-D239 PolarHBondContact O-N 2.87Å; K236-K240 WeakPolarHBondContact O-CG 3.43Å; K236-K240 PolarHBondContact O-N 3.07Å
237	D	60.6	Low	60.3	Low	101 Å²	101	124 Å²	124	54%	0.54	57%	0.573	S	S	.	*	H	α-helix	trans	-74.3	-25.3	179.2	-90.9	5.7	0	0	0	113.8	D233 N235 K240 K241	D233-D237 PolarHBondContact O-N 2.66Å; N235-D237 PolarHBondContact O-N 3.33Å; N235-D237 VanDerWaalsContact O-N 3.17Å; D237-K240 IonicContact OD1-NZ 3.39Å; D237-K240 PolarHBondContact OD1-NZ 2.81Å; D237-K241 WeakPolarHBondContact O-CB 3.35Å; D237-K241 PolarHBondContact O-N 2.91Å
238	K	59.7	Low	59.2	Low	130 Å²	130	128 Å²	128	57%	0.565	59%	0.588	S	S	*	*	H	α-helix	trans	-68.8	-46.5	167.1	-71.5	169.7	-175.1	169.8	0	110.6	K234 N235 K240 K241 V242	K234-K238 WeakPolarHBondContact O-CG 3.41Å; N235-K238 WeakPolarHBondContact O-CA 3.31Å; N235-K238 WeakPolarHBondContact O-CB 3.49Å; N235-K238 PolarHBondContact O-N 3.05Å; N235-K238 PolarHBondContact OD1-NZ 3.11Å; K238-K240 PolarHBondContact O-N 3.11Å; K238-K241 CarbonylContact O-C 3.57Å; K238-K241 WeakPolarHBondContact O-CA 3.3Å; K238-K241 WeakPolarHBondContact O-CB 3.47Å; K238-K241 PolarHBondContact O-N 3.31Å; K238-V242 WeakPolarHBondContact O-CG2 3.4Å; K238-V242 PolarHBondContact O-N 2.88Å
239	D	57.3	Low	58.3	Low	93 Å²	93	126.4 Å²	126.4	50%	0.497	59%	0.591	S	S	.	*	H	α-helix	trans	-63.5	-42.6	-178.3	-64.5	-34.1	0	0	0	111.6	N235 K236 K241 V242 Q243	N235-D239 PolarHBondContact O-N 2.84Å; K236-D239 PolarHBondContact O-N 2.87Å; D239-K241 VanDerWaalsContact C-N 3.31Å; D239-K241 PolarHBondContact O-N 3.44Å; D239-V242 PolarHBondContact O-N 3.09Å; D239-V242 VanDerWaalsContact O-N 3.16Å; D239-Q243 WeakPolarHBondContact O-CG 3.37Å; D239-Q243 PolarHBondContact O-N 3.43Å
240	K	63.5	Low	57	Low	129 Å²	129	127.1 Å²	127.1	56%	0.561	61%	0.606	S	S	*	*	H	α-helix	trans	-55.4	-44.4	169	-74.1	173.3	-171.9	165.5	0	111.9	K236 D237 K238 V242 Q243 L244	K236-K240 WeakPolarHBondContact O-CG 3.43Å; K236-K240 PolarHBondContact O-N 3.07Å; D237-K240 IonicContact OD1-NZ 3.39Å; D237-K240 PolarHBondContact OD1-NZ 2.81Å; K238-K240 PolarHBondContact O-N 3.11Å; K240-V242 VanDerWaalsContact C-N 3.33Å; K240-V242 PolarHBondContact O-N 2.67Å; K240-Q243 PolarHBondContact O-N 2.69Å; K240-L244 WeakPolarHBondContact O-CB 3.17Å; K240-L244 PolarHBondContact O-N 3.5Å
241	K	57.4	Low	55.7	Low	162 Å²	162	128.7 Å²	128.7	70%	0.704	62%	0.62	S	S	*	*	H	α-helix	trans	-66.3	-30.2	177.7	-115.6	168.7	-179.6	167.2	0	113.6	D237 K238 D239 K245	D237-K241 WeakPolarHBondContact O-CB 3.35Å; D237-K241 PolarHBondContact O-N 2.91Å; K238-K241 CarbonylContact O-C 3.57Å; K238-K241 WeakPolarHBondContact O-CA 3.3Å; K238-K241 WeakPolarHBondContact O-CB 3.47Å; K238-K241 PolarHBondContact O-N 3.31Å; D239-K241 VanDerWaalsContact C-N 3.31Å; D239-K241 PolarHBondContact O-N 3.44Å; K241-K245 PolarHBondContact O-N 2.96Å
242	V	58.1	Low	53.9	Low	85 Å²	85	130.1 Å²	130.1	52%	0.515	64%	0.638	S	S	.	*	H	α-helix	trans	-76	-44.1	174.7	172.6	0	0	0	0	110.9	K238 D239 K240 K245 K246	K238-V242 WeakPolarHBondContact O-CG2 3.4Å; K238-V242 PolarHBondContact O-N 2.88Å; D239-V242 PolarHBondContact O-N 3.09Å; D239-V242 VanDerWaalsContact O-N 3.16Å; K240-V242 VanDerWaalsContact C-N 3.33Å; K240-V242 PolarHBondContact O-N 2.67Å; V242-K245 PolarHBondContact O-N 3.23Å; V242-K246 PolarHBondContact O-N 2.8Å
243	Q	55.2	Low	52.3	Low	142 Å²	142	133.9 Å²	133.9	66%	0.664	66%	0.657	S	S	*	*	H	α-helix	trans	-65.6	-40	177	-69.1	-172.4	11.6	0	0	112.4	D239 K240 K245 K246 K247	D239-Q243 WeakPolarHBondContact O-CG 3.37Å; D239-Q243 PolarHBondContact O-N 3.43Å; K240-Q243 PolarHBondContact O-N 2.69Å; Q243-K245 PolarHBondContact O-N 2.96Å; Q243-K246 PolarHBondContact O-N 3.07Å; Q243-K247 PolarHBondContact O-N 3.38Å
244	L	56.6	Low	50.8	Low	139 Å²	139	140.5 Å²	140.5	73%	0.728	68%	0.676	S	S	*	*	H	α-helix	trans	-63.9	-24.4	174.8	-125.5	77.6	0	0	0	113.3	K240	K240-L244 WeakPolarHBondContact O-CB 3.17Å; K240-L244 PolarHBondContact O-N 3.5Å
245	K	51.7	Low	49.9	Very low	163 Å²	163	139.9 Å²	139.9	71%	0.709	69%	0.687	S	S	*	*	H	α-helix	trans	-78	-47	171.2	-79.3	-173	171.4	-169.9	0	111.7	K241 V242 Q243 K247 K248 T249	K241-K245 PolarHBondContact O-N 2.96Å; V242-K245 PolarHBondContact O-N 3.23Å; Q243-K245 PolarHBondContact O-N 2.96Å; K245-K247 VanDerWaalsContact C-N 3.34Å; K245-K247 PolarHBondContact O-N 2.87Å; K245-K248 PolarHBondContact O-N 3.16Å; K245-K248 VanDerWaalsContact O-N 3.11Å; K245-T249 PolarHBondContact O-OG1 2.73Å; K245-T249 VanDerWaalsContact O-OG1 3.11Å
246	K	52	Low	48.3	Very low	167 Å²	167	140.2 Å²	140.2	73%	0.726	71%	0.707	S	S	*	*	H	α-helix	trans	-60.7	-38.2	177.6	-86.6	-169.8	170.5	-174.7	0	113	V242 Q243 K248 T249	V242-K246 PolarHBondContact O-N 2.8Å; Q243-K246 PolarHBondContact O-N 3.07Å; K246-K248 PolarHBondContact O-N 3.06Å; K246-K248 VanDerWaalsContact O-N 3.11Å; K246-T249 PolarHBondContact O-N 3.19Å
247	K	48.6	Very low	46.9	Very low	190 Å²	190	140 Å²	140	83%	0.826	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	6.6	177.1	-158.1	169.8	179.7	177.7	0	114.3	Q243 K245	Q243-K247 PolarHBondContact O-N 3.38Å; K245-K247 VanDerWaalsContact C-N 3.34Å; K245-K247 PolarHBondContact O-N 2.87Å
248	K	45.9	Very low	45.4	Very low	191 Å²	191	139.8 Å²	139.8	83%	0.83	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-114.8	12.9	174.8	-94.5	-167	171.3	-169.2	0	114.1	K245 K246	K245-K248 PolarHBondContact O-N 3.16Å; K245-K248 VanDerWaalsContact O-N 3.11Å; K246-K248 PolarHBondContact O-N 3.06Å; K246-K248 VanDerWaalsContact O-N 3.11Å
249	T	46.6	Very low	44	Very low	119 Å²	119	139 Å²	139	73%	0.73	75%	0.754	S	S	*	*	S	Bend	trans	-124.6	11.7	-172.9	-22	0	0	0	0	114.5	K245 K246	K245-T249 PolarHBondContact O-OG1 2.73Å; K245-T249 VanDerWaalsContact O-OG1 3.11Å; K246-T249 PolarHBondContact O-N 3.19Å
250	S	38.8	Very low	42.6	Very low	103 Å²	103	138.3 Å²	138.3	72%	0.72	77%	0.769	S	S	*	*	S	Bend	trans	-140	37.2	-171.9	68.2	0	0	0	0	114.3
251	E	38.8	Very low	41	Very low	197 Å²	197	137.6 Å²	137.6	92%	0.921	78%	0.781	S	S	*	*			trans	-159.1	72	172.2	-144.2	165.5	-151.7	0	0	112.6
252	S	30.9	Very low	39.9	Very low	116 Å²	116	137.1 Å²	137.1	81%	0.811	78%	0.781	S	S	*	*			trans	-165.5	105.1	159.8	-158.6	0	0	0	0	112.9
253	E	29.7	Very low	38.6	Very low	186 Å²	186	140.7 Å²	140.7	87%	0.869	79%	0.79	S	S	*	*			trans	-123.8	72.5	160.5	-76.2	-143.8	110.7	0	0	111.7
254	R	32	Very low	37.6	Very low	220 Å²	220	140.4 Å²	140.4	83%	0.83	79%	0.788	S	S	*	*			trans	68.1	175.4	151.6	-53.6	-178.4	174.3	-168.1	-0.8	116.3
255	P	43.2	Very low	36.3	Very low	130 Å²	130	142.1 Å²	142.1	84%	0.844	79%	0.79	S	S	*	*				-131.3	155.5	-64.1	37.8	-24.7	0	0	0	113.7
256	G	28.3	Very low	35.3	Very low	79 Å²	79	141 Å²	141	81%	0.814	79%	0.791	S	S	*	*			trans	-157.7	104.7	178.2	0	0	0	0	0	115.8
257	A	29.5	Very low	34.1	Very low	99 Å²	99	140.9 Å²	140.9	82%	0.818	79%	0.791	S	S	*	*			trans	11.9	126.2	160.4	0	0	0	0	0	123.3
258	A	29.8	Very low	33.1	Very low	96 Å²	96	139.3 Å²	139.3	79%	0.793	79%	0.787	S	S	*	*				74.2	121.9	123.2	0	0	0	0	0	123.9
259	A	29.3	Very low	32.2	Very low	112 Å²	112	134 Å²	134	93%	0.926	77%	0.774	S	S	*	*			trans	67.6	139.3	135.2	0	0	0	0	0	121.9
260	G	29.5	Very low	31.5	Very low	79 Å²	79	136.1 Å²	136.1	81%	0.814	78%	0.775	S	S	*	*			trans	155.9	94.6	172.6	0	0	0	0	0	112.8
261	S	29.5	Very low	31.1	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	78%	0.775	S	S	*	*			trans	-85.5	150.1	-172.7	-64.5	0	0	0	0	114.4
262	Q	33	Very low	30.6	Very low	151 Å²	151	138.3 Å²	138.3	71%	0.706	77%	0.774	S	S	*	*			trans	27.7	132.1	135.7	-70.5	-172.2	13.8	0	0	118.5
263	K	31.8	Very low	30.5	Very low	161 Å²	161	141.9 Å²	141.9	70%	0.7	78%	0.775	S	S	*	*				167.5	172	60.4	-119.9	162.4	177.4	145.5	0	107.4
264	Q	33.3	Very low	30.3	Very low	135 Å²	135	139.2 Å²	139.2	63%	0.631	77%	0.767	S	S	*	*			cis	-164	172.8	-10.5	-152.7	172.8	-48.4	0	0	108.5
265	K	30.6	Very low	30	Very low	175 Å²	175	136.4 Å²	136.4	76%	0.761	76%	0.763	S	S	*	*			trans	73.2	144.2	162.3	-63.8	178.4	-176.1	-178.6	0	116.9
266	N	29.7	Very low	29.3	Very low	139 Å²	139	137.2 Å²	137.2	74%	0.743	76%	0.756	S	S	*	*			cis	-155.9	176.6	-21.2	-123.9	25.9	0	0	0	112.1
267	F	27.5	Very low	29.2	Very low	165 Å²	165	140.9 Å²	140.9	72%	0.724	75%	0.752	S	S	*	*			trans	-34.2	164.7	165.2	-82.6	-135.2	0	0	0	116.8
268	E	26.4	Very low	28.9	Very low	158 Å²	158	143.5 Å²	143.5	74%	0.738	75%	0.752	S	S	*	*			cis	-144	170.3	27.7	-136.6	134.7	107.6	0	0	110.1
269	S	28.4	Very low	28.7	Very low	80 Å²	80	142.5 Å²	142.5	56%	0.559	75%	0.751	S	S	*	*			cis	73.7	139.1	26.1	151.3	0	0	0	0	115.1
270	Q	31.2	Very low	28.6	Very low	162 Å²	162	148.4 Å²	148.4	76%	0.757	75%	0.749	S	S	*	*			cis	-152.2	151.9	-7.2	-114.4	-171.1	43.3	0	0	111.1
271	I	30.6	Very low	28.3	Very low	138 Å²	138	149.9 Å²	149.9	71%	0.708	74%	0.742	S	S	*	*			trans	29.3	122.4	143.5	-50.8	170.5	0	0	0	120.3
272	K	28	Very low	28.1	Very low	208 Å²	208	153.4 Å²	153.4	90%	0.904	75%	0.746	S	S	*	*				-170.7	168.3	125.4	-106.1	162.6	-170.7	175.1	0	114.1
273	K	28.6	Very low	27.8	Very low	191 Å²	191	154 Å²	154	83%	0.83	75%	0.749	S	S	*	*			trans	-108.6	143	177.7	-57.9	174.3	177.4	177.6	0	110.6
274	N	25.5	Very low	27.5	Very low	130 Å²	130	154.1 Å²	154.1	70%	0.695	75%	0.752	S	S	*	*				164.9	148.2	117.9	-91.6	2.8	0	0	0	113.9
275	Q	26.5	Very low	27.5	Very low	161 Å²	161	152.7 Å²	152.7	75%	0.752	75%	0.754	S	S	*	*			trans	59.6	133.6	144	-70.5	168.6	-37.9	0	0	123.6
276	Q	27.4	Very low	27.2	Very low	148 Å²	148	149.5 Å²	149.5	69%	0.692	75%	0.749	S	S	*	*			trans	82.6	125.5	139.3	-89.6	167.9	-81.3	0	0	124.4
277	Q	26.5	Very low	27.1	Very low	156 Å²	156	151.5 Å²	151.5	73%	0.729	75%	0.751	S	S	*	*			trans	87.8	138.1	133.1	-87.4	166.6	-53.9	0	0	124.5
278	D	24	Very low	26.9	Very low	154 Å²	154	148.8 Å²	148.8	82%	0.824	75%	0.745	S	S	*	*			trans	-24.8	143.5	174	-70.4	-78.1	0	0	0	122.8
279	G	26.4	Very low	26.9	Very low	75 Å²	75	149 Å²	149	77%	0.773	75%	0.745	S	S	*	*			trans	86	168.5	142.1	0	0	0	0	0	117.8
280	R	25.4	Very low	26.7	Very low	235 Å²	235	150.8 Å²	150.8	89%	0.887	75%	0.754	S	S	*	*			cis	-168.2	142.9	-19.2	-153.3	-159.3	160.5	-171.7	-4.6	109.2
281	V	25.3	Very low	26.3	Very low	111 Å²	111	150.9 Å²	150.9	67%	0.673	75%	0.754	S	S	*	*			trans	65.4	145.4	163.2	-169.9	0	0	0	0	118.5
282	Q	24.6	Very low	26.1	Very low	189 Å²	189	151.5 Å²	151.5	88%	0.883	76%	0.764	S	S	*	*			trans	-125.8	147.9	145.3	-163.2	167.3	19.9	0	0	108.8
283	Q	27	Very low	26.1	Very low	163 Å²	163	150.3 Å²	150.3	76%	0.762	76%	0.759	S	S	*	*			trans	-70.2	138.9	-165.3	-78.3	157.4	-59.7	0	0	113.7
284	E	25.2	Very low	26.1	Very low	164 Å²	164	146 Å²	146	77%	0.766	76%	0.76	S	S	*	*				68	147.1	87.8	-112.3	-157.6	135.8	0	0	113.9
285	P	33.5	Very low	26.1	Very low	104 Å²	104	145.9 Å²	145.9	68%	0.675	77%	0.769	S	S	*	*				-151.9	169.6	53.5	42.1	-20.8	0	0	0	120.2
286	T	24.5	Very low	26.2	Very low	108 Å²	108	144.2 Å²	144.2	66%	0.663	77%	0.769	S	S	*	*			trans	64.4	112.6	142	48.8	0	0	0	0	125.9
287	K	26.4	Very low	26.2	Very low	181 Å²	181	145.9 Å²	145.9	79%	0.787	77%	0.774	S	S	*	*				67.6	122.5	116.5	-72.6	-161.8	169.8	-172.3	0	126.3
288	N	24.7	Very low	26.2	Very low	109 Å²	109	143.7 Å²	143.7	58%	0.583	77%	0.768	S	S	*	*				72.3	125.3	124.3	-68	43.2	0	0	0	125.3
289	E	25.6	Very low	26.5	Very low	161 Å²	161	144.4 Å²	144.4	75%	0.752	76%	0.763	S	S	*	*			trans	66.3	147.1	130.6	-63.1	170.3	134.2	0	0	120.1
290	T	24.1	Very low	26.6	Very low	119 Å²	119	147.8 Å²	147.8	73%	0.73	76%	0.763	S	S	*	*			cis	-154.3	161.2	1.4	-2.6	0	0	0	0	113.5
291	E	23.4	Very low	26.6	Very low	163 Å²	163	142.9 Å²	142.9	76%	0.762	76%	0.76	S	S	*	*			trans	32.4	130.9	153.6	-70.5	-170.4	-177.1	0	0	125
292	T	25.7	Very low	26.9	Very low	151 Å²	151	143.6 Å²	143.6	93%	0.926	76%	0.764	S	S	*	*				-152.1	173.2	122.3	-19.2	0	0	0	0	111.4
293	K	27.5	Very low	27.1	Very low	183 Å²	183	143.4 Å²	143.4	80%	0.796	76%	0.761	S	S	*	*			trans	-105.3	135.7	-155.5	-66.3	175.6	178.3	172.7	0	117.3
294	A	29.4	Very low	27.4	Very low	102 Å²	102	143.5 Å²	143.5	84%	0.843	77%	0.765	S	S	*	*			trans	47.8	126.3	137.9	0	0	0	0	0	123
295	S	24.6	Very low	27.6	Very low	127 Å²	127	146.5 Å²	146.5	89%	0.888	77%	0.769	S	S	*	*				-165.3	154.3	118.5	-160.5	0	0	0	0	114.2
296	V	28.6	Very low	27.4	Very low	125 Å²	125	145.3 Å²	145.3	76%	0.758	78%	0.776	S	S	*	*			trans	-70.3	134.3	-171.7	169.4	0	0	0	0	115.6
297	K	27	Very low	27.8	Very low	183 Å²	183	146.6 Å²	146.6	80%	0.796	78%	0.784	S	S	*	*				179.5	143.9	117	-123.6	150.1	-175.1	177.1	0	117.6
298	D	28	Very low	27.8	Very low	111 Å²	111	143.2 Å²	143.2	59%	0.594	78%	0.778	S	S	*	*			trans	51.6	124.4	143.5	-85.7	13.5	0	0	0	125.6
299	K	30.2	Very low	27.9	Very low	169 Å²	169	147.8 Å²	147.8	74%	0.735	79%	0.793	S	S	*	*			trans	88.2	110.3	130.2	-72.3	167.4	179.9	139.6	0	122.7
300	N	28.6	Very low	28.1	Very low	145 Å²	145	150.5 Å²	150.5	78%	0.775	80%	0.798	S	S	*	*			trans	55.1	98.3	136.2	-66	19.6	0	0	0	120.8
301	T	25.3	Very low	28.2	Very low	132 Å²	132	152.6 Å²	152.6	81%	0.81	80%	0.797	S	S	*	*			trans	-119.8	127.1	139.5	39.2	0	0	0	0	109.2
302	V	30.8	Very low	28.5	Very low	126 Å²	126	149.1 Å²	149.1	76%	0.764	80%	0.796	S	S	*	*			trans	-107.4	123.3	-180	174.9	0	0	0	0	109.3
303	F	29.2	Very low	28.7	Very low	185 Å²	185	148.5 Å²	148.5	81%	0.811	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-75.6	121.8	171.8	-76.1	-101.8	0	0	0	110.3	R305	F303-R305 PolarHBondContact O-N 2.63Å
304	I	32.1	Very low	28.9	Very low	165 Å²	165	148.4 Å²	148.4	85%	0.846	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-77.4	118.9	164	-60.5	178.3	0	0	0	107.7
305	R	31.3	Very low	28.9	Very low	227 Å²	227	150.8 Å²	150.8	86%	0.857	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-90.6	140.5	167.2	-74.8	-178.7	169.4	175.3	-3.6	108.8	F303	F303-R305 PolarHBondContact O-N 2.63Å
306	G	29.4	Very low	29.3	Very low	80 Å²	80	149.7 Å²	149.7	83%	0.825	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-64.2	160.2	-174.7	0	0	0	0	0	114.4
307	V	31.5	Very low	29.4	Very low	135 Å²	135	154.1 Å²	154.1	82%	0.818	79%	0.785	S	S	*	*			trans	-105.4	134	-178.8	-179.5	0	0	0	0	109.9
308	T	27.8	Very low	29.5	Very low	109 Å²	109	155 Å²	155	67%	0.669	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-89	141.7	173.8	22.4	0	0	0	0	111.9
309	F	26.8	Very low	29.8	Very low	206 Å²	206	158.8 Å²	158.8	90%	0.904	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-84.9	138.8	170.8	-62.2	-87.9	0	0	0	110.7
310	Y	28.1	Very low	29.8	Very low	218 Å²	218	160.1 Å²	160.1	86%	0.855	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-102.3	128	167.2	-75.3	-89.7	0	0	0	109.6
311	K	27	Very low	30	Very low	163 Å²	163	162.4 Å²	162.4	71%	0.709	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-85.8	136	168.7	-170.9	-163.1	171.8	-152.8	0	108
312	A	30.1	Very low	30.4	Very low	89 Å²	89	164.4 Å²	164.4	74%	0.736	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-92.2	147.6	164.9	0	0	0	0	0	109.7
313	D	29.7	Very low	30.4	Very low	138 Å²	138	161.5 Å²	161.5	74%	0.738	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-87.4	164.8	-171.9	-67.4	-58.9	0	0	0	113.9
314	E	32.1	Very low	30.4	Very low	181 Å²	181	159 Å²	159	85%	0.846	82%	0.815	S	S	*	*			trans	-95	102.2	-179.1	-66.2	178.5	153.2	0	0	110.4
315	D	29.6	Very low	30.5	Very low	152 Å²	152	157.1 Å²	157.1	81%	0.813	80%	0.802	S	S	*	*			trans	-80.7	116.1	171.3	-85.5	-45.3	0	0	0	111.3
316	S	33.1	Very low	30.6	Very low	105 Å²	105	153.8 Å²	153.8	73%	0.734	79%	0.794	S	S	*	*			trans	-100.5	119.9	173.4	71.5	0	0	0	0	111.3
317	Y	29.5	Very low	30.5	Very low	218 Å²	218	159.8 Å²	159.8	86%	0.855	80%	0.797	S	S	*	*			trans	-130.5	158.3	165.8	-79.3	-79	0	0	0	112.7
318	K	30.1	Very low	30.3	Very low	200 Å²	200	156.9 Å²	156.9	87%	0.87	79%	0.794	S	S	*	*			trans	-102.1	165.6	-163.5	-64.8	179.1	178.5	178	0	112.4
319	E	33.7	Very low	30.3	Very low	192 Å²	192	163.9 Å²	163.9	90%	0.897	81%	0.809	S	S	*	*			trans	-67.4	134.5	165.9	-58.6	161.4	149.1	0	0	110.7
320	E	29.8	Very low	30.3	Very low	197 Å²	197	157.1 Å²	157.1	92%	0.921	80%	0.798	S	S	*	*			trans	-139.8	146.4	154.1	-69.7	-167.2	168.8	0	0	107.9
321	E	33.4	Very low	30.4	Very low	193 Å²	193	156 Å²	156	90%	0.902	80%	0.797	S	S	*	*			trans	-103.8	162.8	-172.8	-72.4	-173.9	112.2	0	0	113.8
322	D	32.6	Very low	30.4	Very low	173 Å²	173	155.1 Å²	155.1	93%	0.925	80%	0.8	S	S	*	*			trans	75.4	165.2	152.4	-139.1	-12.2	0	0	0	118.8
323	G	30.6	Very low	30.2	Very low	66 Å²	66	156.5 Å²	156.5	68%	0.68	80%	0.799	S	S	*	*			trans	125.4	33.9	161.8	0	0	0	0	0	121.9
324	D	31	Very low	30	Very low	133 Å²	133	158.3 Å²	158.3	71%	0.711	80%	0.801	S	S	*	*			trans	38	148.3	140.3	-153.7	19	0	0	0	125.5
325	Q	33.3	Very low	29.7	Very low	124 Å²	124	156.7 Å²	156.7	58%	0.579	80%	0.797	S	S	*	*			trans	69.6	112.9	149.3	-93	178.9	85.6	0	0	126.1
326	K	32.5	Very low	30	Very low	158 Å²	158	156.9 Å²	156.9	69%	0.687	80%	0.796	S	S	*	*				74.6	120.3	125.4	-76.8	170.5	-165.9	161.5	0	124.6
327	K	28.9	Very low	30.2	Very low	205 Å²	205	157.5 Å²	157.5	89%	0.891	80%	0.798	S	S	*	*				63.5	119.3	127.2	-71.6	-174.8	173	-179	0	122.5
328	G	26.4	Very low	30.3	Very low	74 Å²	74	156.3 Å²	156.3	76%	0.763	80%	0.797	S	S	*	*				130.1	170.4	128.4	0	0	0	0	0	116.2
329	R	27.8	Very low	30.4	Very low	256 Å²	256	152.8 Å²	152.8	97%	0.966	79%	0.792	S	S	*	*			cis	177.3	121.5	-30	174.9	-171.1	-173.1	-159.9	5.2	108.2
330	G	26.3	Very low	30.2	Very low	65 Å²	65	147.6 Å²	147.6	67%	0.67	78%	0.782	S	S	*	*			trans	143.4	122.3	167.8	0	0	0	0	0	111.4
331	K	31.2	Very low	30.2	Very low	193 Å²	193	146.9 Å²	146.9	84%	0.839	78%	0.779	S	S	*	*				70.8	104.4	59.8	-77.4	-160.1	170.9	-165.1	0	114
332	N	26.6	Very low	30	Very low	146 Å²	146	144.1 Å²	144.1	78%	0.781	77%	0.77	S	S	*	*				165	132.8	127.1	-83.1	-11.2	0	0	0	108
333	V	26.5	Very low	29.9	Very low	117 Å²	117	142.1 Å²	142.1	71%	0.709	76%	0.759	S	S	*	*			cis	104.7	122	42.4	158.8	0	0	0	0	110.8
334	F	25.5	Very low	29.9	Very low	176 Å²	176	145.7 Å²	145.7	77%	0.772	76%	0.762	S	S	*	*			trans	88.2	111.8	158.7	-85.8	-151.1	0	0	0	123
335	L	24.5	Very low	29.7	Very low	148 Å²	148	147.5 Å²	147.5	78%	0.775	76%	0.763	S	S	*	*				78.9	137.6	122.4	-65.2	-178.2	0	0	0	123.3
336	I	37.4	Very low	29.5	Very low	155 Å²	155	148.1 Å²	148.1	80%	0.795	77%	0.769	S	S	*	*			trans	-104	144.8	170.5	-63.2	159.3	0	0	0	109
337	P	37.3	Very low	29.2	Very low	118 Å²	118	145.9 Å²	145.9	77%	0.766	77%	0.765	S	S	*	*			trans	-107.7	128.5	141.5	2.9	17.6	0	0	0	109.6
338	K	30.8	Very low	29.2	Very low	194 Å²	194	144.1 Å²	144.1	84%	0.843	76%	0.757	S	S	*	*				62	134.2	63.8	-111.4	-176.9	-180	-172.1	0	111.7
339	V	31.9	Very low	29.4	Very low	126 Å²	126	147.8 Å²	147.8	76%	0.764	76%	0.758	S	S	*	*			cis	-152.1	141.2	38.7	171.9	0	0	0	0	113.5
340	A	30.7	Very low	29.8	Very low	83 Å²	83	141.3 Å²	141.3	69%	0.686	75%	0.749	S	S	*	*			trans	41.7	168.4	144.7	0	0	0	0	0	121.7
341	E	28.8	Very low	29.9	Very low	182 Å²	182	144.4 Å²	144.4	85%	0.85	76%	0.755	S	S	*	*			cis	-131.3	141.4	29.6	-75.3	-177.6	132.5	0	0	115.8
342	D	29.9	Very low	29.7	Very low	134 Å²	134	138.1 Å²	138.1	72%	0.717	75%	0.745	S	S	*	*				32.3	149.6	122	-73.5	23.9	0	0	0	121.7
343	L	31	Very low	29.7	Very low	131 Å²	131	137.2 Å²	137.2	69%	0.686	75%	0.745	S	S	*	*			cis	-167.3	168.6	-1.9	-123.1	176.9	0	0	0	111.8
344	L	29.5	Very low	29.8	Very low	142 Å²	142	140.2 Å²	140.2	74%	0.743	75%	0.749	S	S	*	*			trans	63.8	174.4	163.1	-60.7	174.7	0	0	0	118.1
345	K	26.8	Very low	29.9	Very low	171 Å²	171	138 Å²	138	74%	0.743	75%	0.745	S	S	*	*				-175.6	133.6	-67.3	-110.6	-173.9	176.2	179.4	0	110
346	I	28.9	Very low	30.1	Very low	136 Å²	136	137.6 Å²	137.6	70%	0.697	74%	0.743	S	S	*	*			trans	78.6	132.8	143.3	-65.4	171.8	0	0	0	120.8
347	D	26.8	Very low	29.5	Very low	112 Å²	112	138.2 Å²	138.2	60%	0.599	74%	0.742	S	S	*	*			trans	74.6	115.3	151.9	-80.3	-10.7	0	0	0	126
348	K	28	Very low	29	Very low	168 Å²	168	137.9 Å²	137.9	73%	0.73	74%	0.743	S	S	*	*				75.8	127	119.2	-69	169.1	-171.8	140.7	0	123.3
349	L	32.2	Very low	28.9	Very low	150 Å²	150	134.1 Å²	134.1	79%	0.785	74%	0.741	S	S	*	*			trans	-54.7	149.7	147.7	-176	77.2	0	0	0	112.5	T351	L349-T351 HydrophobicContact CD2-CG2 4.47Å
350	P	35.9	Very low	28.7	Very low	120 Å²	120	136.1 Å²	136.1	78%	0.779	75%	0.746	S	S	*	*			trans	-129.9	156.9	137.8	37.6	-29.4	0	0	0	114.3
351	T	27.5	Very low	29.7	Very low	130 Å²	130	137.5 Å²	137.5	80%	0.798	75%	0.749	S	S	*	*			trans	-95.2	148.9	177.4	47.7	0	0	0	0	113	L349	L349-T351 HydrophobicContact CD2-CG2 4.47Å
352	G	26.1	Very low	29.7	Very low	61 Å²	61	135.8 Å²	135.8	63%	0.629	75%	0.75	S	S	*	*				131	123.1	127.8	0	0	0	0	0	121.8
353	T	27	Very low	29.9	Very low	127 Å²	127	138.7 Å²	138.7	78%	0.779	76%	0.757	S	S	*	*			trans	86.7	142.5	132.5	72.5	0	0	0	0	123.1
354	K	29.6	Very low	30.5	Very low	180 Å²	180	137.3 Å²	137.3	78%	0.783	76%	0.755	S	S	*	*			trans	77.9	146.3	157.4	-67.5	157.3	-176.9	174.9	0	116.9
355	N	27.9	Very low	30.7	Very low	131 Å²	131	136.7 Å²	136.7	70%	0.701	75%	0.753	S	S	*	*			cis	-157.2	157.4	8	-125.7	2.9	0	0	0	114
356	L	27.6	Very low	31.2	Very low	139 Å²	139	134.8 Å²	134.8	73%	0.728	75%	0.746	S	S	*	*			trans	42.2	141.8	132.9	-148	76.8	0	0	0	122.2
357	E	25.8	Very low	31.3	Very low	167 Å²	167	137.1 Å²	137.1	78%	0.78	75%	0.751	S	S	*	*			cis	-175	-174.1	-26.8	-162.4	150.3	-78.4	0	0	110.3
358	S	26.2	Very low	31.3	Very low	112 Å²	112	135 Å²	135	78%	0.783	76%	0.756	S	S	*	*			trans	76.3	151.8	167	83.1	0	0	0	0	118.1
359	S	28	Very low	31.4	Very low	114 Å²	114	134.6 Å²	134.6	80%	0.797	76%	0.761	S	S	*	*			cis	-159	179.1	-16.2	49.4	0	0	0	0	111.5
360	L	29.3	Very low	31.3	Very low	168 Å²	168	133.4 Å²	133.4	88%	0.88	76%	0.755	S	S	*	*			trans	-103.1	-147.6	-165.6	-65.7	163.5	0	0	0	114.8
361	P	51.9	Low	31	Very low	113 Å²	113	134.4 Å²	134.4	73%	0.734	75%	0.754	S	S	*	*				-133.2	170.1	-103.8	42.8	-25.6	0	0	0	117
362	V	27.4	Very low	31.1	Very low	146 Å²	146	136 Å²	136	89%	0.885	76%	0.756	S	S	*	*			trans	-143.5	135.4	167.3	-171.5	0	0	0	0	115.7
363	K	33.5	Very low	31.2	Very low	195 Å²	195	138.2 Å²	138.2	85%	0.848	76%	0.762	S	S	*	*			trans	-143.4	171.5	154.5	-92.4	-173.1	177.3	179.2	0	105.5
364	P	45.6	Very low	32.2	Very low	102 Å²	102	137.5 Å²	137.5	66%	0.662	76%	0.759	S	S	*	*			cis	-151.4	-165.4	27	42.3	-19.3	0	0	0	117.8
365	N	32.5	Very low	32	Very low	129 Å²	129	135 Å²	135	69%	0.69	76%	0.76	S	S	*	*			trans	73.6	161.3	148.2	-82	-20	0	0	0	120.4
366	H	36.6	Very low	32.1	Very low	131 Å²	131	140.5 Å²	140.5	61%	0.606	77%	0.77	S	S	*	*			cis	-161.2	152.1	15.6	-124.2	-10.5	0	0	0	114.4
367	K	31.6	Very low	32.2	Very low	185 Å²	185	141.3 Å²	141.3	80%	0.804	77%	0.771	S	S	*	*			trans	57.7	159	148.3	-62.3	166.4	-177.8	171.9	0	120.1
368	G	27.6	Very low	32.8	Very low	67 Å²	67	139 Å²	139	69%	0.691	77%	0.77	S	S	*	*			cis	168.8	175.4	-8.3	0	0	0	0	0	114.3
369	L	30.6	Very low	32.7	Very low	159 Å²	159	142.6 Å²	142.6	83%	0.832	77%	0.771	S	S	*	*			trans	94.4	117.8	165.5	-83.9	72.9	0	0	0	124
370	N	30.2	Very low	32.8	Very low	126 Å²	126	141.4 Å²	141.4	67%	0.674	77%	0.769	S	S	*	*				73.7	119.3	124.8	-61.9	6.1	0	0	0	127.2
371	N	28.1	Very low	32.7	Very low	141 Å²	141	138.2 Å²	138.2	75%	0.754	76%	0.76	S	S	*	*			trans	55.7	131.2	131.1	-59.1	-1.7	0	0	0	124.1
372	I	30.9	Very low	31.6	Very low	163 Å²	163	138.8 Å²	138.8	84%	0.836	76%	0.762	S	S	*	*				171.4	156.6	116.4	-89	162.7	0	0	0	112.3
373	S	27.4	Very low	31.6	Very low	108 Å²	108	137.2 Å²	137.2	76%	0.755	75%	0.753	S	S	*	*			trans	-152.9	169.5	166.2	-64.8	0	0	0	0	107.8
374	P	48.3	Very low	31.5	Very low	111 Å²	111	132.4 Å²	132.4	72%	0.721	74%	0.743	S	S	*	*			cis	-140.8	-160.6	10.2	39.2	-16.6	0	0	0	115.4
375	T	25.9	Very low	30.8	Very low	129 Å²	129	135.4 Å²	135.4	79%	0.791	75%	0.746	S	S	*	*			trans	67.3	121	154.3	34.3	0	0	0	0	122.6
376	R	28.4	Very low	30.8	Very low	245 Å²	245	136.4 Å²	136.4	93%	0.925	75%	0.747	S	S	*	*				-170.6	150.3	106.1	-119	-176.8	173.3	-172.2	-2.7	114.6
377	Q	30.2	Very low	30.4	Very low	157 Å²	157	134.9 Å²	134.9	73%	0.734	75%	0.747	S	S	*	*			trans	-97.1	163.5	151.3	-70.8	-172.9	-17.8	0	0	109.2
378	P	37.6	Very low	30.2	Very low	117 Å²	117	132.1 Å²	132.1	76%	0.76	75%	0.746	S	S	*	*				-132.8	163.6	91.8	42.4	-31.7	0	0	0	111.5
379	K	25.8	Very low	30.3	Very low	188 Å²	188	139.8 Å²	139.8	82%	0.817	75%	0.754	S	S	*	*				55.6	135.9	53.9	-80.6	-172.6	176.9	-179.3	0	113.1
380	A	28.6	Very low	30.2	Very low	90 Å²	90	137.7 Å²	137.7	74%	0.744	75%	0.753	S	S	*	*			cis	-142.2	-164.4	-13.1	0	0	0	0	0	106.5
381	S	28.6	Very low	30.2	Very low	101 Å²	101	138 Å²	138	71%	0.706	76%	0.759	S	S	*	*			cis	-174.9	139.5	36.6	44.4	0	0	0	0	111.5
382	T	27.4	Very low	30.9	Very low	124 Å²	124	137.7 Å²	137.7	76%	0.761	77%	0.765	S	S	*	*				32.5	155.6	128.6	16.8	0	0	0	0	121.8
383	T	28.6	Very low	30.8	Very low	114 Å²	114	134.1 Å²	134.1	70%	0.699	76%	0.76	S	S	*	*			cis	-161.9	128.8	25.6	-7.1	0	0	0	0	109.1
384	S	30.3	Very low	30.9	Very low	93 Å²	93	135 Å²	135	65%	0.65	76%	0.76	S	S	*	*				74.2	161.8	100.4	86.1	0	0	0	0	117.4
385	K	30.8	Very low	29.9	Very low	165 Å²	165	137.1 Å²	137.1	72%	0.717	76%	0.764	S	S	*	*			cis	-170.3	148.1	30.5	-140.7	170.8	-175.6	179.3	0	114.5
386	Q	32.3	Very low	30	Very low	150 Å²	150	141.6 Å²	141.6	70%	0.701	77%	0.767	S	S	*	*			trans	65.5	159.6	142.1	-88.2	171.7	-40.8	0	0	120.6
387	T	28.7	Very low	29.9	Very low	100 Å²	100	135.8 Å²	135.8	61%	0.613	76%	0.758	S	S	*	*			cis	-155.4	152	15.6	-17.7	0	0	0	0	115.2
388	T	28.8	Very low	29.8	Very low	127 Å²	127	133.8 Å²	133.8	78%	0.779	76%	0.757	S	S	*	*			trans	60.3	157.9	147	47.3	0	0	0	0	122.2
389	R	28.4	Very low	29.3	Very low	227 Å²	227	136.4 Å²	136.4	86%	0.857	76%	0.759	S	S	*	*			cis	-179.9	135.9	-23.8	169.6	-176.3	-174.9	-155.8	4	109.4
390	S	28.8	Very low	29.4	Very low	116 Å²	116	136.4 Å²	136.4	81%	0.811	76%	0.762	S	S	*	*			trans	166.9	156.3	135.1	47	0	0	0	0	114.1
391	T	30.6	Very low	29.4	Very low	133 Å²	133	139.8 Å²	139.8	82%	0.816	77%	0.766	S	S	*	*			trans	-134.7	157.2	167.1	33.4	0	0	0	0	108.6
392	P	42.1	Very low	29.3	Very low	133 Å²	133	142.3 Å²	142.3	86%	0.864	77%	0.772	S	S	*	*				-132.4	-171.9	120.1	37.4	-27.8	0	0	0	112
393	A	28.3	Very low	30	Very low	89 Å²	89	141.2 Å²	141.2	74%	0.736	77%	0.767	S	S	*	*			trans	-138.7	161.8	-167.1	0	0	0	0	0	114.4
394	T	30.1	Very low	29.9	Very low	125 Å²	125	142.7 Å²	142.7	77%	0.767	78%	0.776	S	S	*	*			trans	51.3	115.1	154.1	-51.2	0	0	0	0	119.6
395	I	27.3	Very low	30	Very low	157 Å²	157	143.8 Å²	143.8	81%	0.805	78%	0.778	S	S	*	*			trans	-126.8	130.8	140.5	-64	-178.3	0	0	0	108.2	V397	I395-V397 HydrophobicContact CG2-CG2 4.14Å
396	R	29.2	Very low	30.1	Very low	222 Å²	222	141.9 Å²	141.9	84%	0.838	78%	0.783	S	S	*	*			trans	-96.9	139.4	158.9	-85.7	-177.3	170.8	177.5	-3.6	107.8
397	V	25.2	Very low	29.9	Very low	123 Å²	123	144.1 Å²	144.1	75%	0.745	79%	0.785	S	S	*	*			trans	-120.2	141	154.5	180	0	0	0	0	107.2	I395	I395-V397 HydrophobicContact CG2-CG2 4.14Å
398	T	27.4	Very low	29.9	Very low	115 Å²	115	147.7 Å²	147.7	71%	0.706	80%	0.795	S	S	*	*			trans	-148	110.4	178.2	-55.8	0	0	0	0	107.1
399	E	28.3	Very low	29.9	Very low	172 Å²	172	148.7 Å²	148.7	80%	0.804	79%	0.792	S	S	*	*			trans	-127.2	130.1	171	-68.5	-163.4	140.3	0	0	109.5
400	Q	27.7	Very low	30	Very low	188 Å²	188	147.4 Å²	147.4	88%	0.879	79%	0.793	S	S	*	*			trans	-102.4	116.3	172.9	-67.4	174.3	-91.4	0	0	108.1
401	I	28.8	Very low	30.2	Very low	161 Å²	161	148.5 Å²	148.5	83%	0.826	80%	0.797	S	S	*	*			trans	-132.7	124.8	162.2	-56.3	-177.7	0	0	0	109.7
402	N	25.6	Very low	30	Very low	155 Å²	155	149.7 Å²	149.7	83%	0.829	79%	0.791	S	S	*	*			trans	-166.9	159.8	172	-135.3	-2.7	0	0	0	105.4
403	P	43.5	Very low	29.3	Very low	101 Å²	101	151.6 Å²	151.6	66%	0.656	79%	0.793	S	S	*	*			cis	-134.9	173.8	-4.4	42.6	-27.6	0	0	0	114.7
404	T	26	Very low	29.3	Very low	145 Å²	145	153.7 Å²	153.7	89%	0.89	79%	0.788	S	S	*	*			trans	-148.1	143.4	144	-29.2	0	0	0	0	111.7
405	T	31.4	Very low	29.3	Very low	115 Å²	115	153.8 Å²	153.8	71%	0.706	79%	0.788	S	S	*	*			trans	-110.8	159	178.5	-13.1	0	0	0	0	110.8	R407	T405-R407 HydrophobicContact CG2-CB 4.48Å
406	P	34.4	Very low	29.3	Very low	125 Å²	125	155.6 Å²	155.6	81%	0.812	79%	0.79	S	S	*	*				-139.4	145.8	81.1	34	-17.2	0	0	0	113.3
407	R	27.3	Very low	29.4	Very low	197 Å²	197	153.1 Å²	153.1	74%	0.743	79%	0.794	S	S	*	*			cis	82.8	95.2	46.8	-166.8	-164.5	-175.3	-133.5	1	115.3	T405	T405-R407 HydrophobicContact CG2-CB 4.48Å
408	Q	28.5	Very low	29.6	Very low	176 Å²	176	150.4 Å²	150.4	82%	0.822	79%	0.791	S	S	*	*			trans	-163.9	112.7	130.9	-102.1	176.9	15.6	0	0	108
409	M	28.7	Very low	29.6	Very low	147 Å²	147	152.8 Å²	152.8	72%	0.724	80%	0.799	S	S	*	*				89.4	110.1	78.5	-78.3	-177.6	90.9	0	0	114.8
410	K	29.9	Very low	29.6	Very low	201 Å²	201	154 Å²	154	87%	0.874	80%	0.802	S	S	*	*			trans	-122.3	144.8	157.9	-79.7	-173.7	175.1	-178.1	0	108.7
411	P	33.8	Very low	30.4	Very low	139 Å²	139	150.4 Å²	150.4	90%	0.903	80%	0.795	S	S	*	*			trans	-68.7	167.5	168.5	-17.9	32.5	0	0	0	112.7
412	K	26	Very low	30.3	Very low	157 Å²	157	147.9 Å²	147.9	68%	0.683	79%	0.792	S	S	*	*			trans	-146.1	141.6	-172.4	178.7	-167.8	178.8	-161.3	0	109.4
413	L	28.3	Very low	30.3	Very low	174 Å²	174	147.6 Å²	147.6	91%	0.911	80%	0.796	S	S	*	*			trans	-144.3	157.1	157.3	-145	66.9	0	0	0	110.7
414	Q	28.1	Very low	29.8	Very low	133 Å²	133	148.5 Å²	148.5	62%	0.621	80%	0.8	S	S	*	*			trans	-140.2	178.6	-173.7	-71.3	-176.3	-96.3	0	0	110.5
415	T	29.6	Very low	30.5	Very low	127 Å²	127	147.3 Å²	147.3	78%	0.779	79%	0.794	S	S	*	*			trans	91.6	142.8	163.2	74.1	0	0	0	0	115.6
416	K	28.2	Very low	30.4	Very low	194 Å²	194	148.4 Å²	148.4	84%	0.843	80%	0.8	S	S	*	*			cis	-154.7	168.8	-8	-124.3	174.1	179.6	-174.7	0	109.8
417	N	30.9	Very low	30.3	Very low	170 Å²	170	148.3 Å²	148.3	91%	0.909	80%	0.798	S	S	*	*			trans	-82.5	159.6	177	-59.9	3.4	0	0	0	112.5
418	G	28.9	Very low	30.8	Very low	67 Å²	67	144.9 Å²	144.9	69%	0.691	80%	0.801	S	S	*	*			trans	178.4	84.2	169.2	0	0	0	0	0	116.4
419	D	26.8	Very low	30.8	Very low	164 Å²	164	145 Å²	145	88%	0.877	80%	0.801	S	S	*	*			trans	61.2	166.9	146.2	-54.4	-38	0	0	0	124.4
420	F	29.6	Very low	31.9	Very low	198 Å²	198	143.1 Å²	143.1	87%	0.868	80%	0.8	S	S	*	*			trans	-104.9	-174.5	-169.7	-79.3	-94	0	0	0	111.7
421	P	43.3	Very low	31.9	Very low	113 Å²	113	138.8 Å²	138.8	73%	0.734	79%	0.791	S	S	*	*			cis	-135.9	174.9	0.3	29.7	-5.5	0	0	0	118.1
422	S	26.7	Very low	31.8	Very low	107 Å²	107	138.6 Å²	138.6	75%	0.748	78%	0.782	S	S	*	*			trans	22.2	130.3	147.8	-54.8	0	0	0	0	124
423	T	26.4	Very low	32	Very low	149 Å²	149	136 Å²	136	91%	0.914	78%	0.779	S	S	*	*				-170	165.4	110.9	13.1	0	0	0	0	113.9
424	T	32.7	Very low	32.2	Very low	121 Å²	121	134 Å²	134	74%	0.742	77%	0.769	S	S	*	*			trans	-100.7	154.5	174.3	45.3	0	0	0	0	111.6
425	P	40.4	Very low	32.4	Very low	120 Å²	120	135.2 Å²	135.2	78%	0.779	78%	0.779	S	S	*	*				-133.5	167.4	92.8	12.6	11.3	0	0	0	112.5
426	V	28.9	Very low	32.4	Very low	137 Å²	137	137.5 Å²	137.5	83%	0.83	78%	0.78	S	S	*	*			cis	85.9	129.1	38.3	-176.2	0	0	0	0	114.9
427	T	33.5	Very low	33.6	Very low	124 Å²	124	133.3 Å²	133.3	76%	0.761	77%	0.773	S	S	*	*			trans	-78.1	165.9	-170.4	-17	0	0	0	0	114.8
428	P	37.6	Very low	34.7	Very low	125 Å²	125	131.3 Å²	131.3	81%	0.812	77%	0.769	S	S	*	*				-148.7	177.4	99.6	38.9	-21.6	0	0	0	117.2
429	H	29.3	Very low	34.7	Very low	178 Å²	178	131.7 Å²	131.7	82%	0.824	77%	0.773	S	S	*	*			trans	-128.8	177	172.4	-118	-32.6	0	0	0	108.1
430	P	51.2	Low	34.8	Very low	107 Å²	107	133.3 Å²	133.3	70%	0.695	78%	0.775	S	S	*	*			cis	-104.5	-128.1	-4.5	20.2	3.8	0	0	0	112
431	T	29.8	Very low	34.8	Very low	111 Å²	111	128 Å²	128	68%	0.681	77%	0.768	S	S	*	*			cis	-163.3	176.2	-0.7	-12.7	0	0	0	0	107
432	D	31.6	Very low	34.2	Very low	134 Å²	134	129.9 Å²	129.9	72%	0.717	77%	0.772	S	S	*	*			cis	-156.4	-169.1	1.3	-145.6	-44.2	0	0	0	111.6
433	T	31.1	Very low	35.1	Very low	102 Å²	102	129.8 Å²	129.8	63%	0.626	77%	0.769	S	S	*	*			trans	-51.7	143.6	177.2	35.8	0	0	0	0	121.6
434	N	32.3	Very low	35.2	Very low	132 Å²	132	128.7 Å²	128.7	71%	0.706	76%	0.762	S	S	*	*				150.3	126.4	109.6	-90	-40.6	0	0	0	119.1
435	I	31.3	Very low	35.1	Very low	160 Å²	160	128.9 Å²	128.9	82%	0.821	76%	0.764	S	S	*	*			trans	78.1	154	135	-61.4	167.7	0	0	0	121.7
436	H	30.2	Very low	35	Very low	175 Å²	175	129.3 Å²	129.3	81%	0.81	77%	0.766	S	S	*	*			trans	-125.9	-169.8	-166.2	-109.3	-47.1	0	0	0	110.7
437	P	53.7	Low	35.1	Very low	106 Å²	106	130 Å²	130	69%	0.688	76%	0.761	S	S	*	*			cis	-127.3	-135.1	-49.7	41.8	-22.6	0	0	0	108.8
438	P	53.6	Low	35.3	Very low	127 Å²	127	130.3 Å²	130.3	83%	0.825	77%	0.765	S	S	*	*			cis	-123.4	-170.5	-37.7	40	-23.4	0	0	0	113.7
439	G	28.1	Very low	34.9	Very low	75 Å²	75	135.1 Å²	135.1	77%	0.773	77%	0.766	S	S	*	*			trans	-174.2	158.8	171.5	0	0	0	0	0	115.1
440	E	30.5	Very low	34.9	Very low	198 Å²	198	131.6 Å²	131.6	93%	0.925	77%	0.768	S	S	*	*			trans	-149.5	162	-161.3	-90.6	-164.4	83	0	0	113.2
441	A	29.3	Very low	34.1	Very low	88 Å²	88	135.8 Å²	135.8	73%	0.727	78%	0.775	S	S	*	*			cis	-154.9	-109.9	-8.3	0	0	0	0	0	113.5
442	N	29.8	Very low	34.1	Very low	152 Å²	152	136 Å²	136	81%	0.813	78%	0.781	S	S	*	*			trans	-131.4	176.3	-168.2	-129.2	-8.6	0	0	0	110.6
443	P	45.7	Very low	34.1	Very low	105 Å²	105	141 Å²	141	68%	0.682	79%	0.79	S	S	*	*			cis	-128	-155.6	35.5	27.3	0.1	0	0	0	112.5
444	T	29.1	Very low	34	Very low	125 Å²	125	143 Å²	143	77%	0.767	80%	0.797	S	S	*	*			cis	-160.7	-172.7	23.6	-31.4	0	0	0	0	112.9
445	T	30.4	Very low	33.8	Very low	126 Å²	126	141.7 Å²	141.7	77%	0.773	80%	0.798	S	S	*	*			trans	-119	176.4	-170.5	8.3	0	0	0	0	112.2
446	P	37.8	Very low	33.8	Very low	129 Å²	129	144.5 Å²	144.5	84%	0.838	80%	0.798	S	S	*	*			cis	-139.8	-178.8	37.2	41.2	-20	0	0	0	118.5
447	Q	30.9	Very low	34.1	Very low	152 Å²	152	142.2 Å²	142.2	71%	0.71	80%	0.796	S	S	*	*			trans	-126.1	157.7	-176.2	-164.7	-169	62	0	0	110.6
448	P	37.4	Very low	33	Very low	130 Å²	130	144.9 Å²	144.9	84%	0.844	80%	0.8	S	S	*	*				-136.7	174.5	125.6	36.6	-24.5	0	0	0	114.4
449	R	29.5	Very low	32	Very low	225 Å²	225	142.6 Å²	142.6	85%	0.849	79%	0.787	S	S	*	*			trans	-101.9	150.5	-160	-59.4	171.7	174.9	175.2	-4.7	115
450	A	30.8	Very low	32.6	Very low	104 Å²	104	145.7 Å²	145.7	86%	0.86	79%	0.793	S	S	*	*			trans	-128.7	165.4	150.3	0	0	0	0	0	109.6
451	K	32.5	Very low	33.2	Very low	195 Å²	195	140.3 Å²	140.3	85%	0.848	78%	0.782	S	S	*	*			trans	-108.5	155.1	-166.8	-68.2	179.4	179.8	176.1	0	114.1
452	S	31.8	Very low	33.7	Very low	115 Å²	115	142.4 Å²	142.4	80%	0.804	78%	0.782	S	S	*	*			trans	54.9	114.2	154.1	58.5	0	0	0	0	119.4
453	R	29.9	Very low	34	Very low	239 Å²	239	143 Å²	143	90%	0.902	78%	0.779	S	S	*	*				-177.8	103.5	97.1	-170.5	175	-164.5	170.6	3.4	109.9
454	L	29.6	Very low	33.6	Very low	146 Å²	146	143.7 Å²	143.7	76%	0.764	78%	0.784	S	S	*	*			trans	-80.8	123.9	175.7	-73.6	170.2	0	0	0	110.2	W456	L454-W456 HydrophobicContact CD2-CZ2 4.31Å
455	S	29.1	Very low	34	Very low	104 Å²	104	147.3 Å²	147.3	73%	0.727	79%	0.789	S	S	*	*			trans	-120.7	104.5	163.7	54.8	0	0	0	0	107.9	T457	S455-T457 PolarHBondContact O-N 2.9Å
456	W	30.5	Very low	34.3	Very low	219 Å²	219	145.4 Å²	145.4	83%	0.83	79%	0.786	S	S	*	*			trans	-83.4	110.1	175.4	-70	109	0	0	0	109.6	L454	L454-W456 HydrophobicContact CD2-CZ2 4.31Å
457	T	36.7	Very low	34.3	Very low	126 Å²	126	145.4 Å²	145.4	77%	0.773	78%	0.784	S	S	*	*			trans	-97.8	96.6	161.5	-54.1	0	0	0	0	106.7	S455 S459	S455-T457 PolarHBondContact O-N 2.9Å; T457-S459 PolarHBondContact O-N 3.38Å
458	E	31.2	Very low	34.6	Very low	162 Å²	162	147.4 Å²	147.4	76%	0.757	79%	0.79	S	S	*	*			trans	-65.6	128.3	-176.9	-165.2	172.8	172.6	0	0	110.3
459	S	31.9	Very low	34.5	Very low	79 Å²	79	148.6 Å²	148.6	55%	0.552	79%	0.786	S	S	*	*			trans	-87.8	138.9	-178.2	-70.4	0	0	0	0	110.4	T457 A461	T457-S459 PolarHBondContact O-N 3.38Å; S459-A461 PolarHBondContact O-N 2.86Å
460	P	41.1	Very low	35.1	Very low	141 Å²	141	144.1 Å²	144.1	92%	0.916	79%	0.786	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	17.4	-172.2	-23.8	35.2	0	0	0	117.8
461	A	42.1	Very low	36.1	Very low	84 Å²	84	141.9 Å²	141.9	69%	0.694	77%	0.774	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.1	-26.4	-175.2	0	0	0	0	0	114.1	S459 Q463	S459-A461 PolarHBondContact O-N 2.86Å; A461-Q463 PolarHBondContact O-N 3.44Å
462	D	39.6	Very low	37.1	Very low	133 Å²	133	137.8 Å²	137.8	71%	0.711	77%	0.765	S	S	*	*			trans	-96.6	24.1	-169.4	-72.4	-52.7	0	0	0	114.7	P464	D462-P464 VanDerWaalsContact O-CD 3.32Å; D462-P464 WeakPolarHBondContact O-CD 3.3Å
463	Q	36.8	Very low	38.8	Very low	163 Å²	163	134 Å²	134	76%	0.762	74%	0.738	S	S	*	*			trans	-68.8	119.5	168.2	-75.6	-164.2	-12.3	0	0	110.3	A461 K465	A461-Q463 PolarHBondContact O-N 3.44Å; Q463-K465 PolarHBondContact O-N 3.4Å
464	P	37.8	Very low	40.4	Very low	121 Å²	121	130.9 Å²	130.9	79%	0.786	73%	0.731	S	S	*	*			trans	-65.1	125.3	177.4	26.8	-33.4	0	0	0	109.5	D462 A466	D462-P464 VanDerWaalsContact O-CD 3.32Å; D462-P464 WeakPolarHBondContact O-CD 3.3Å; P464-A466 PolarHBondContact O-N 2.95Å
465	K	36.3	Very low	42.9	Very low	201 Å²	201	125.3 Å²	125.3	87%	0.874	70%	0.702	S	S	*	*			trans	-60.1	106.1	176.8	-74.2	-179.5	179.5	173.6	0	109.5	Q463 T467	Q463-K465 PolarHBondContact O-N 3.4Å; K465-T467 PolarHBondContact O-N 3.47Å
466	A	37.8	Very low	45.7	Very low	85 Å²	85	124.3 Å²	124.3	70%	0.702	69%	0.692	S	S	*	*			trans	-63.4	101.1	178.8	0	0	0	0	0	110.8	P464 K468	P464-A466 PolarHBondContact O-N 2.95Å; A466-K468 VanDerWaalsContact C-N 3.3Å; A466-K468 PolarHBondContact O-N 2.92Å
467	T	37.9	Very low	48.7	Very low	130 Å²	130	114.2 Å²	114.2	80%	0.798	65%	0.654	S	S	*	*			trans	-65.7	89.9	170	-50.5	0	0	0	0	108.6	K465 M469	K465-T467 PolarHBondContact O-N 3.47Å; T467-M469 PolarHBondContact O-N 3.02Å
468	K	36.9	Very low	51.3	Low	194 Å²	194	110.5 Å²	110.5	84%	0.843	64%	0.636	S	S	*	*			trans	-65.6	91.5	-175.6	-71.8	-171.2	175.8	-173.4	0	111.5	A466 P470	A466-K468 VanDerWaalsContact C-N 3.3Å; A466-K468 PolarHBondContact O-N 2.92Å; K468-P470 WeakPolarHBondContact O-CD 3.45Å
469	M	34.7	Very low	54.4	Low	155 Å²	155	105.1 Å²	105.1	76%	0.764	62%	0.616	S	S	*	*			trans	-71	113.4	156.9	-67	-72.2	-84.7	0	0	107.7	T467	T467-M469 PolarHBondContact O-N 3.02Å
470	P	41.3	Very low	57.5	Low	130 Å²	130	102.2 Å²	102.2	84%	0.844	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	131.3	175	29.7	-33	0	0	0	109.8	K468	K468-P470 WeakPolarHBondContact O-CD 3.45Å
471	G	52.3	Low	60.1	Low	58 Å²	58	97.2 Å²	97.2	60%	0.598	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	112.3	5.9	173.1	0	0	0	0	0	117.1
472	V	53.1	Low	62.7	Low	108 Å²	108	101.4 Å²	101.4	66%	0.655	57%	0.568	S	S	*	*			trans	-122.5	101.7	165.8	-176	0	0	0	0	109	K474	V472-K474 HydrophobicContact CG1-CG 4.3Å
473	C	68.6	Low	65.3	Low	36 Å²	36	96 Å²	96	24%	0.243	54%	0.54	C	S	.	.			trans	-80.4	136.8	166.5	-174	0	0	0	0	109.5	D475 E602 C654	C473-D475 PolarHBondContact SG-O 2.68Å; C473-E602 HydrophobicContact CB-CB 4.41Å; C473-E602 HydrophobicContact CB-CG 4.23Å; C473-C654 HydrophobicContact CB-CB 3.47Å; C473-C654 VanDerWaalsContact CB-CB 3.47Å; C473-C654 WeakPolarHBondContact CB-SG 3.5Å; C473-C654 WeakPolarHBondContact SG-CB 3Å; C473-C654 CovalentContact SG-SG 2.02Å; C473-C654 PolarHBondContact SG-SG 3.06Å
474	K	63.4	Low	68.2	Low	173 Å²	173	90.4 Å²	90.4	75%	0.752	52%	0.521	S	S	*	.			trans	-119.7	-4.6	170.3	-67.2	-171.6	173.2	-171.8	0	112.4	V472	V472-K474 HydrophobicContact CG1-CG 4.3Å
475	D	81.3	Confident	71	Confident	30 Å²	30	90.7 Å²	90.7	16%	0.16	51%	0.507	C	S	.	.			trans	-105.1	125.1	-159.6	-16.8	-42.1	0	0	0	108.7	C473 K705 F722 A723 Y724	C473-D475 PolarHBondContact SG-O 2.68Å; D475-K705 IonicContact OD2-NZ 3.53Å; D475-K705 PolarHBondContact OD2-NZ 2.91Å; D475-F722 HydrophobicContact CB-CB 3.57Å; D475-F722 HydrophobicContact CB-CD1 3.76Å; D475-F722 HydrophobicContact CB-CG 3.99Å; D475-F722 WeakPolarHBondContact O-CD1 3.23Å; D475-A723 WeakPolarHBondContact CA-O 3.43Å; D475-A723 WeakPolarHBondContact CB-O 3.29Å; D475-Y724 HydrophobicContact CB-CD1 4.27Å; D475-Y724 HydrophobicContact CB-CE1 4.38Å
476	T	87.7	Confident	73.8	Confident	83 Å²	83	82.9 Å²	82.9	51%	0.509	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	147.8	178	-59.5	0	0	0	0	110.2	A478 Y658 F722 A723	T476-A478 PolarHBondContact O-N 3.48Å; T476-A478 VanDerWaalsContact O-N 3.16Å; T476-Y658 WeakPolarHBondContact CG2-OH 3.27Å; T476-F722 CarbonylContact O-C 3.59Å; T476-F722 VanDerWaalsContact O-CA 3.27Å; T476-F722 WeakPolarHBondContact O-CA 3.29Å; T476-A723 PolarHBondContact N-O 3.11Å; T476-A723 PolarHBondContact O-N 2.63Å
477	V	93.7	Very high	76.4	Confident	7 Å²	7	79.7 Å²	79.7	4%	0.042	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	118.8	176.2	-175.6	0	0	0	0	110.3	I480 V653 Y658 L686 V720 F722	V477-I480 HydrophobicContact CG1-CG1 4.36Å; V477-V653 HydrophobicContact CG2-CB 4.14Å; V477-V653 HydrophobicContact CG2-CG1 3.92Å; V477-V653 HydrophobicContact CG2-CG2 4.25Å; V477-Y658 HydrophobicContact CB-CE1 4.26Å; V477-Y658 HydrophobicContact CB-CE2 4.29Å; V477-Y658 HydrophobicContact CG2-CE2 3.75Å; V477-Y658 PolarHBondContact N-OH 3.09Å; V477-L686 HydrophobicContact CB-CD1 4.3Å; V477-L686 HydrophobicContact CG1-CD1 3.76Å; V477-V720 HydrophobicContact CB-CG1 4.35Å; V477-V720 HydrophobicContact CG1-CG1 3.8Å; V477-V720 HydrophobicContact CG2-CG1 3.78Å; V477-F722 HydrophobicContact CG2-CE1 4.48Å
478	A	92.7	Very high	79	Confident	48 Å²	48	77.2 Å²	77.2	40%	0.397	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-34.3	-178.1	0	0	0	0	0	112.8	T476 I721 A723	T476-A478 PolarHBondContact O-N 3.48Å; T476-A478 VanDerWaalsContact O-N 3.16Å; A478-I721 PolarHBondContact N-O 3.23Å; A478-A723 HydrophobicContact CB-CB 3.93Å
479	S	94.8	Very high	81.4	Confident	48 Å²	48	71.9 Å²	71.9	34%	0.336	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	164	171.5	46.1	0	0	0	0	111.4	I721	S479-I721 PolarHBondContact N-O 3.31Å; S479-I721 VanDerWaalsContact N-O 3.12Å; S479-I721 PolarHBondContact O-N 3.21Å
480	I	97.1	Very high	84	Confident	19 Å²	19	66.5 Å²	66.5	10%	0.097	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.2	176.5	-57.5	170.8	0	0	0	106.7	V477 F651 V670 F688 L707 Y718	V477-I480 HydrophobicContact CG1-CG1 4.36Å; I480-F651 HydrophobicContact CD1-CE1 4.18Å; I480-F651 HydrophobicContact CD1-CZ 3.83Å; I480-V670 HydrophobicContact CD1-CG2 3.89Å; I480-F688 HydrophobicContact CD1-CD2 3.74Å; I480-F688 HydrophobicContact CD1-CE2 4.25Å; I480-F688 HydrophobicContact CG2-CD2 4.1Å; I480-F688 HydrophobicContact CG2-CE2 4.23Å; I480-L707 HydrophobicContact CD1-CD1 4.03Å; I480-L707 HydrophobicContact CG1-CD1 4.46Å; I480-L707 HydrophobicContact CG2-CD1 4.21Å; I480-Y718 HydrophobicContact CG2-CD1 3.78Å; I480-Y718 HydrophobicContact CG2-CG 3.9Å
481	S	96.6	Very high	86.5	Confident	35 Å²	35	65.1 Å²	65.1	25%	0.245	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-67.5	173	-179.5	77	0	0	0	0	113.1	D719	S481-D719 PolarHBondContact N-O 2.89Å; S481-D719 PolarHBondContact OG-N 3.15Å
482	E	95.4	Very high	88.4	Confident	173 Å²	173	64.6 Å²	64.6	81%	0.808	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-60.5	145.6	159.5	-67.1	-169.7	159.1	0	0	111
483	P	96.1	Very high	90.3	Very high	20 Å²	20	60.6 Å²	60.6	13%	0.13	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-68.6	123.3	178.5	20.1	-30	0	0	0	113.7	T689 M691 M716 Y718	P483-T689 HydrophobicContact CG-CG2 4.12Å; P483-M691 HydrophobicContact CB-CG 3.93Å; P483-M691 HydrophobicContact CG-CG 3.24Å; P483-M691 HydrophobicContact CG-SD 3.92Å; P483-M716 HydrophobicContact CB-CE 3.79Å; P483-Y718 HydrophobicContact CB-CD1 3.96Å; P483-Y718 HydrophobicContact CB-CE1 3.43Å; P483-Y718 VanDerWaalsContact CB-CE1 3.43Å; P483-Y718 HydrophobicContact CG-CE1 3.94Å
484	A	96.8	Very high	91.5	Very high	44 Å²	44	58.9 Å²	58.9	36%	0.364	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	126.2	170.6	0	0	0	0	0	111.3	M716 N717	A484-M716 CarbonylContact O-C 3.59Å; A484-M716 WeakPolarHBondContact O-CA 3.45Å; A484-N717 WeakPolarHBondContact CB-OD1 3.28Å; A484-N717 PolarHBondContact N-O 2.98Å; A484-N717 PolarHBondContact O-N 3.27Å; A484-N717 PolarHBondContact O-OD1 2.93Å
485	R	96.5	Very high	93	Very high	127 Å²	127	50.7 Å²	50.7	48%	0.479	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	128.4	174.8	-171.1	-167.1	-54.5	95.6	5.1	110.7	Y692 M716	R485-Y692 VanDerWaalsContact CZ-OH 3.25Å; R485-Y692 PolarHBondContact NE-OH 3.4Å; R485-Y692 PolarHBondContact NH2-OH 2.84Å; R485-M716 HydrophobicContact CB-CE 3.89Å; R485-M716 HydrophobicContact CB-SD 3.68Å; R485-M716 HydrophobicContact CG-SD 3.78Å
486	Q	94.8	Very high	93.8	Very high	37 Å²	37	49.2 Å²	49.2	17%	0.173	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	-54.4	171.4	-61.2	-51.4	-41.9	0	0	112	W496 M524 K528 Q715 N717	Q486-W496 HydrophobicContact CB-CH2 4.19Å; Q486-W496 HydrophobicContact CG-CH2 3.88Å; Q486-W496 HydrophobicContact CG-CZ2 4.43Å; Q486-M524 HydrophobicContact CB-CE 4.37Å; Q486-M524 HydrophobicContact CB-SD 4.08Å; Q486-M524 HydrophobicContact CG-CE 4.11Å; Q486-M524 HydrophobicContact CG-SD 4.39Å; Q486-K528 WeakPolarHBondContact O-CD 3.25Å; Q486-K528 WeakPolarHBondContact O-CE 3.4Å; Q486-K528 WeakPolarHBondContact O-CG 3.48Å; Q486-K528 VanDerWaalsContact OE1-CE 3.23Å; Q486-Q715 PolarHBondContact N-O 2.89Å; Q486-N717 PolarHBondContact NE2-OD1 3.03Å
487	T	93.4	Very high	94.1	Very high	19 Å²	19	45.7 Å²	45.7	12%	0.117	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	-179.8	174.8	-159.2	0	0	0	0	111.3	F527 Q715	T487-F527 HydrophobicContact CG2-CD1 3.83Å; T487-F527 HydrophobicContact CG2-CE1 3.47Å; T487-F527 VanDerWaalsContact CG2-CE1 3.47Å; T487-F527 HydrophobicContact CG2-CE2 4.2Å; T487-F527 HydrophobicContact CG2-CG 4.36Å; T487-F527 HydrophobicContact CG2-CZ 3.68Å; T487-Q715 HydrophobicContact CG2-CB 4.2Å; T487-Q715 HydrophobicContact CG2-CG 4.39Å; T487-Q715 PolarHBondContact O-N 2.9Å; T487-Q715 PolarHBondContact O-OE1 2.97Å
488	S	91.7	Very high	94.3	Very high	78 Å²	78	47.5 Å²	47.5	55%	0.545	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	102.5	173.7	55.5	0	0	0	0	108.4
489	Y	87.6	Confident	94.4	Very high	81 Å²	81	46.5 Å²	46.5	32%	0.318	26%	0.258	S	S	.	.			trans	-150.9	133.9	-172.3	179	-88.6	0	0	0	111.1	L509 L519 W710 G713 Q715	Y489-L509 HydrophobicContact CD1-CD1 3.88Å; Y489-L509 HydrophobicContact CD1-CD2 4.04Å; Y489-L509 HydrophobicContact CE1-CD1 4.43Å; Y489-L509 HydrophobicContact CE1-CD2 3.86Å; Y489-L519 HydrophobicContact CE1-CD1 4.24Å; Y489-W710 WeakPolarHBondContact O-CH2 3.41Å; Y489-W710 VanDerWaalsContact O-CZ2 3.31Å; Y489-W710 WeakPolarHBondContact O-CZ2 3.5Å; Y489-G713 PolarHBondContact N-O 3.03Å; Y489-Q715 VanDerWaalsContact N-OE1 3.11Å; Y489-Q715 PolarHBondContact O-NE2 2.98Å
490	G	89.9	Confident	94.4	Very high	42 Å²	42	44.6 Å²	44.6	43%	0.433	25%	0.245	S	C	.	.	S	Bend	trans	101.6	-153.3	173.6	0	0	0	0	0	114.4	N511	G490-N511 WeakPolarHBondContact CA-OD1 3.47Å
491	L	93	Very high	94.2	Very high	102 Å²	102	48.5 Å²	48.5	53%	0.534	26%	0.259	S	S	.	.			trans	-94	173.1	179.5	-60.4	174.2	0	0	0	111.2	D493 N511 W710 G713	L491-D493 PolarHBondContact O-N 2.78Å; L491-N511 PolarHBondContact N-OD1 2.04Å; L491-W710 WeakPolarHBondContact O-CZ2 3.28Å; L491-W710 PolarHBondContact O-NE1 2.9Å; L491-G713 WeakPolarHBondContact O-CA 3.25Å; L491-G713 PolarHBondContact O-N 3.04Å
492	S	92.8	Very high	93.6	Very high	47 Å²	47	47.6 Å²	47.6	33%	0.329	26%	0.255	S	S	.	.	S	Bend	trans	-47.9	-43	172.6	49.7	0	0	0	0	112.3	W710 D712 G713	S492-W710 PolarHBondContact O-NE1 3.03Å; S492-D712 WeakPolarHBondContact CB-OD1 3.46Å; S492-G713 PolarHBondContact O-N 2.77Å
493	D	92.4	Very high	92.6	Very high	24 Å²	24	48.4 Å²	48.4	13%	0.128	26%	0.258	C	S	.	.	S	Bend	trans	-102.4	147.1	179.5	-51.8	-70.7	0	0	0	111.9	L491 G512 H513 H694 S696	L491-D493 PolarHBondContact O-N 2.78Å; D493-G512 WeakPolarHBondContact O-CA 3.28Å; D493-G512 PolarHBondContact O-N 3.36Å; D493-H513 HydrophobicContact CB-CB 4.09Å; D493-H694 IonicContact OD1-CD2 2.65Å; D493-H694 IonicContact OD1-CE1 2.66Å; D493-H694 IonicContact OD1-NE2 3.04Å; D493-H694 PolarHBondContact OD1-NE2 3.47Å; D493-S696 WeakPolarHBondContact CA-OG 3.43Å; D493-S696 WeakPolarHBondContact OD1-CB 3.43Å
494	G	94.2	Very high	91.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.2	-174.2	173.1	0	0	0	0	0	111.6	T510 T545 S696 W710	G494-T510 WeakPolarHBondContact CA-O 3.5Å; G494-T545 VanDerWaalsContact O-CG2 3.28Å; G494-T545 WeakPolarHBondContact O-CG2 2.76Å; G494-S696 PolarHBondContact N-OG 2.92Å; G494-W710 VanDerWaalsContact C-CD2 3.5Å; G494-W710 WeakPolarHBondContact O-CB 3.28Å
495	A	95.3	Very high	91.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	143.5	173.4	0	0	0	0	0	110.9	M497 L509 T510 T545 Q697	A495-M497 HydrophobicContact CB-CE 3.8Å; A495-L509 CarbonylContact O-C 3.6Å; A495-L509 WeakPolarHBondContact O-CA 3.33Å; A495-T510 WeakPolarHBondContact CB-OG1 3.46Å; A495-T510 PolarHBondContact N-O 3.42Å; A495-T510 PolarHBondContact O-N 3.26Å; A495-T510 PolarHBondContact O-OG1 2.96Å; A495-T545 WeakPolarHBondContact CB-O 3.47Å; A495-Q697 HydrophobicContact CB-CG 4.15Å
496	W	96.7	Very high	91.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	149.8	173.3	79.2	-64	0	0	0	111	Q486 I507 Y508 L509 M524 F527 Q697 Y708 A709 W710 Q715 M716 N717	Q486-W496 HydrophobicContact CB-CH2 4.19Å; Q486-W496 HydrophobicContact CG-CH2 3.88Å; Q486-W496 HydrophobicContact CG-CZ2 4.43Å; W496-I507 HydrophobicContact CE3-CG2 3.88Å; W496-I507 HydrophobicContact CZ3-CG2 4.42Å; W496-Y508 VanDerWaalsContact CA-O 3.31Å; W496-Y508 WeakPolarHBondContact CA-O 3.29Å; W496-L509 HydrophobicContact CB-CD1 4.36Å; W496-M524 HydrophobicContact CH2-CE 4.41Å; W496-M524 HydrophobicContact CZ3-CE 4.18Å; W496-F527 HydrophobicContact CB-CZ 4.42Å; W496-F527 HydrophobicContact CD2-CE1 4.33Å; W496-F527 HydrophobicContact CD2-CZ 4.17Å; W496-F527 AromaticContact CE3-CE1 3.56Å; W496-F527 HydrophobicContact CE3-CE1 3.56Å; W496-F527 AromaticContact CE3-CZ 3.64Å; W496-F527 HydrophobicContact CE3-CZ 3.64Å; W496-F527 AromaticContact CZ3-CE1 3.74Å; W496-F527 HydrophobicContact CZ3-CE1 3.74Å; W496-F527 HydrophobicContact CZ3-CZ 4.3Å; W496-Q697 PolarHBondContact O-NE2 2.66Å; W496-Q697 PolarHBondContact O-OE1 3.19Å; W496-Y708 AromaticContact CD2-CD1 3.95Å; W496-Y708 HydrophobicContact CD2-CD1 3.95Å; W496-Y708 AromaticContact CE2-CD1 3.75Å; W496-Y708 AromaticContact CE3-CD1 3.92Å; W496-Y708 HydrophobicContact CE3-CD1 3.92Å; W496-Y708 HydrophobicContact CE3-CE1 4.28Å; W496-Y708 AromaticContact CH2-CD1 3.54Å; W496-Y708 HydrophobicContact CH2-CD1 3.54Å; W496-Y708 AromaticContact CH2-CE1 3.7Å; W496-Y708 HydrophobicContact CH2-CE1 3.7Å; W496-Y708 AromaticContact CZ2-CD1 3.56Å; W496-Y708 HydrophobicContact CZ2-CD1 3.56Å; W496-Y708 HydrophobicContact CZ2-CE1 4.2Å; W496-Y708 HydrophobicContact CZ2-CG 4.3Å; W496-Y708 AromaticContact CZ3-CD1 3.73Å; W496-Y708 HydrophobicContact CZ3-CD1 3.73Å; W496-Y708 AromaticContact CZ3-CE1 3.75Å; W496-Y708 HydrophobicContact CZ3-CE1 3.75Å; W496-A709 PolarHBondContact NE1-O 3.22Å; W496-W710 HydrophobicContact CB-CE3 4.31Å; W496-W710 HydrophobicContact CB-CZ3 4.33Å; W496-Q715 HydrophobicContact CB-CG 4.24Å; W496-Q715 HydrophobicContact CD2-CB 3.89Å; W496-Q715 HydrophobicContact CD2-CG 4.11Å; W496-Q715 HydrophobicContact CG-CB 4.05Å; W496-Q715 HydrophobicContact CG-CG 3.76Å; W496-Q715 HydrophobicContact CZ2-CB 4.24Å; W496-M716 WeakPolarHBondContact CZ2-O 3.29Å; W496-N717 HydrophobicContact CZ2-CB 4.27Å
497	M	95.8	Very high	91.5	Very high	9 Å²	9	49.8 Å²	49.8	4%	0.044	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	171.8	-167.3	60.5	-152.2	68.3	0	0	111.5	A495 Y508 H547 V549 F554	A495-M497 HydrophobicContact CB-CE 3.8Å; M497-Y508 PolarHBondContact N-O 3.06Å; M497-Y508 PolarHBondContact O-N 2.02Å; M497-H547 HydrophobicContact CE-CB 4.32Å; M497-H547 WeakPolarHBondContact CE-O 3.42Å; M497-V549 HydrophobicContact CG-CB 4.47Å; M497-V549 HydrophobicContact CG-CG2 4.11Å; M497-V549 HydrophobicContact SD-CB 4.5Å; M497-V549 HydrophobicContact SD-CG2 3.88Å; M497-F554 HydrophobicContact SD-CD2 4.38Å; M497-F554 HydrophobicContact SD-CE2 4.1Å
498	K	96.3	Very high	91.6	Very high	44 Å²	44	49.9 Å²	49.9	19%	0.191	27%	0.273	C	S	.	.			trans	-119.6	170.3	160.5	-57.7	177	-173.5	160.6	0	108	A500 I507 D704 Y708	K498-A500 PolarHBondContact O-N 2.86Å; K498-A500 VanDerWaalsContact O-N 3.12Å; K498-I507 HydrophobicContact CG-CG1 4.31Å; K498-D704 IonicContact NZ-OD2 2.72Å; K498-D704 PolarHBondContact NZ-OD2 3.33Å; K498-Y708 HydrophobicContact CD-CE1 4.42Å; K498-Y708 WeakPolarHBondContact CD-OH 3.42Å; K498-Y708 WeakPolarHBondContact CE-OH 3.31Å; K498-Y708 HydrophobicContact CG-CE1 4.17Å; K498-Y708 PolarHBondContact NZ-OH 3.36Å
499	D	96.1	Very high	91.9	Very high	27 Å²	27	46.2 Å²	46.2	14%	0.144	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-65.7	110.6	166.2	-176.7	-17.4	0	0	0	109.8	R501 G502 V549 F550 N551 G552 L703	D499-R501 PolarHBondContact O-N 2.97Å; D499-R501 VanDerWaalsContact O-N 3.14Å; D499-R501 PolarHBondContact OD1-N 3.41Å; D499-G502 VanDerWaalsContact CG-N 3.31Å; D499-G502 PolarHBondContact O-N 3.4Å; D499-G502 PolarHBondContact OD1-N 2.89Å; D499-G502 VanDerWaalsContact OD1-N 3.09Å; D499-V549 WeakPolarHBondContact CA-O 3.18Å; D499-V549 HydrophobicContact CB-CG1 3.74Å; D499-F550 WeakPolarHBondContact OD1-CA 3.38Å; D499-N551 PolarHBondContact OD1-N 3.12Å; D499-N551 PolarHBondContact OD2-N 2.88Å; D499-G552 PolarHBondContact OD2-N 2.69Å; D499-L703 WeakPolarHBondContact O-CD1 3.46Å
500	A	93.9	Very high	92.3	Very high	8 Å²	8	42.3 Å²	42.3	7%	0.066	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	1.5	-178.8	0	0	0	0	0	114.7	K498 V549 F550 V600 L703	K498-A500 PolarHBondContact O-N 2.86Å; K498-A500 VanDerWaalsContact O-N 3.12Å; A500-V549 PolarHBondContact N-O 2.55Å; A500-F550 HydrophobicContact CB-CD2 4.12Å; A500-V600 HydrophobicContact CB-CB 3.93Å; A500-V600 HydrophobicContact CB-CG1 3.63Å; A500-V600 HydrophobicContact CB-CG2 4.26Å; A500-L703 WeakPolarHBondContact O-CG 3.5Å
501	R	92.2	Very high	92.5	Very high	101 Å²	101	43 Å²	43	38%	0.381	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.7	13.8	162.5	-154.7	160.8	74.2	-166.3	4.9	113.2	D499 F550 N551 H629	D499-R501 PolarHBondContact O-N 2.97Å; D499-R501 VanDerWaalsContact O-N 3.14Å; D499-R501 PolarHBondContact OD1-N 3.41Å; R501-F550 HydrophobicContact CB-CD2 3.81Å; R501-F550 HydrophobicContact CB-CE2 3.67Å; R501-F550 HydrophobicContact CB-CZ 4.47Å; R501-F550 HydrophobicContact CG-CE2 4.35Å; R501-N551 HydrophobicContact CB-CB 4.25Å; R501-N551 VanDerWaalsContact CZ-OD1 3.26Å; R501-N551 PolarHBondContact NE-OD1 3.31Å; R501-N551 PolarHBondContact NH2-OD1 2.91Å; R501-H629 PolarHBondContact NH1-CD2 2.86Å; R501-H629 PolarHBondContact NH1-NE2 3.03Å; R501-H629 PolarHBondContact NH2-CE1 3.04Å; R501-H629 VanDerWaalsContact NH2-CE1 3.29Å; R501-H629 PolarHBondContact NH2-NE2 2.78Å
502	G	85.1	Confident	92.5	Very high	16 Å²	16	38.3 Å²	38.3	17%	0.165	20%	0.202	C	C	.	.			trans	-80.2	168.3	178.7	0	0	0	0	0	113.3	D499 L703	D499-G502 VanDerWaalsContact CG-N 3.31Å; D499-G502 PolarHBondContact O-N 3.4Å; D499-G502 PolarHBondContact OD1-N 2.89Å; D499-G502 VanDerWaalsContact OD1-N 3.09Å; G502-L703 VanDerWaalsContact O-CD1 3.23Å; G502-L703 WeakPolarHBondContact O-CD1 3.29Å
503	H	73.6	Confident	92.3	Very high	191 Å²	191	39.7 Å²	39.7	88%	0.884	20%	0.204	S	C	*	.			trans	-115.8	13.4	168.1	-54.9	-36.3	0	0	0	111.8
504	G	77.8	Confident	92.3	Very high	51 Å²	51	43.6 Å²	43.6	53%	0.526	22%	0.217	S	C	.	.	S	Bend	trans	-91.4	158.8	-178.1	0	0	0	0	0	113.1
505	K	90.6	Very high	92.3	Very high	166 Å²	166	44.4 Å²	44.4	72%	0.722	23%	0.226	S	C	*	.			trans	-83	0.2	166.3	-63	-174.7	179.2	-176.8	0	113.1	R522 D523	K505-R522 CarbonylContact C-O 3.49Å; K505-D523 HydrophobicContact CB-CB 4.02Å
506	V	95.6	Very high	92.3	Very high	39 Å²	39	46.8 Å²	46.8	24%	0.236	24%	0.238	C	C	.	.			trans	-63.3	133.5	-171.3	-174.7	0	0	0	0	110.9	Y508 E520 F521 R522	V506-Y508 HydrophobicContact CB-CE2 4.28Å; V506-Y508 HydrophobicContact CG1-CD2 4.42Å; V506-Y508 HydrophobicContact CG1-CE1 4.11Å; V506-Y508 HydrophobicContact CG1-CE2 3.76Å; V506-E520 HydrophobicContact CG1-CG 3.48Å; V506-E520 VanDerWaalsContact CG1-CG 3.48Å; V506-F521 WeakPolarHBondContact CA-O 3.32Å; V506-F521 WeakPolarHBondContact CG1-O 3.22Å; V506-R522 WeakPolarHBondContact CA-O 3.31Å; V506-R522 PolarHBondContact N-O 2.92Å
507	I	96.5	Very high	92.3	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	133.3	178.1	-64.3	166.8	0	0	0	108.3	W496 K498 F521 M524 F527	W496-I507 HydrophobicContact CE3-CG2 3.88Å; W496-I507 HydrophobicContact CZ3-CG2 4.42Å; K498-I507 HydrophobicContact CG-CG1 4.31Å; I507-F521 HydrophobicContact CB-CB 4.42Å; I507-F521 PolarHBondContact N-O 2.87Å; I507-F521 PolarHBondContact O-N 2.93Å; I507-M524 HydrophobicContact CD1-CB 4.17Å; I507-M524 HydrophobicContact CD1-CE 3.74Å; I507-M524 HydrophobicContact CD1-SD 3.87Å; I507-F527 HydrophobicContact CB-CD2 4.48Å; I507-F527 HydrophobicContact CD1-CB 3.83Å; I507-F527 HydrophobicContact CD1-CD1 3.78Å; I507-F527 HydrophobicContact CD1-CE1 4.44Å; I507-F527 HydrophobicContact CD1-CG 3.87Å; I507-F527 HydrophobicContact CG2-CD1 4.29Å; I507-F527 HydrophobicContact CG2-CD2 3.85Å; I507-F527 HydrophobicContact CG2-CE1 4.18Å; I507-F527 HydrophobicContact CG2-CE2 3.72Å; I507-F527 HydrophobicContact CG2-CG 4.11Å; I507-F527 HydrophobicContact CG2-CZ 3.88Å
508	Y	97.2	Very high	92.4	Very high	21 Å²	21	48.7 Å²	48.7	8%	0.082	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	142.9	178.5	-67	-74.8	0	0	0	110.1	W496 M497 V506 L518 L519 E520 Y536 V549 L569	W496-Y508 VanDerWaalsContact CA-O 3.31Å; W496-Y508 WeakPolarHBondContact CA-O 3.29Å; M497-Y508 PolarHBondContact N-O 3.06Å; M497-Y508 PolarHBondContact O-N 2.02Å; V506-Y508 HydrophobicContact CB-CE2 4.28Å; V506-Y508 HydrophobicContact CG1-CD2 4.42Å; V506-Y508 HydrophobicContact CG1-CE1 4.11Å; V506-Y508 HydrophobicContact CG1-CE2 3.76Å; Y508-L518 HydrophobicContact CD1-CD2 3.94Å; Y508-L518 HydrophobicContact CD1-CG 4.26Å; Y508-L519 CarbonylContact C-O 3.6Å; Y508-L519 WeakPolarHBondContact CA-O 3.31Å; Y508-E520 HydrophobicContact CD1-CB 4.23Å; Y508-E520 HydrophobicContact CD1-CG 4.24Å; Y508-E520 HydrophobicContact CE1-CB 4Å; Y508-E520 HydrophobicContact CE1-CG 3.64Å; Y508-E520 WeakPolarHBondContact CE1-OE2 3.21Å; Y508-E520 VanDerWaalsContact CZ-OE2 3.32Å; Y508-E520 PolarHBondContact OH-OE2 2.79Å; Y508-Y536 HydrophobicContact CE1-CE2 4.04Å; Y508-V549 HydrophobicContact CD1-CG2 4.43Å; Y508-V549 HydrophobicContact CD2-CB 4.06Å; Y508-V549 HydrophobicContact CD2-CG1 4.04Å; Y508-V549 HydrophobicContact CD2-CG2 3.78Å; Y508-V549 HydrophobicContact CE2-CG1 3.98Å; Y508-V549 HydrophobicContact CE2-CG2 4.43Å; Y508-V549 HydrophobicContact CG-CG2 3.79Å; Y508-L569 HydrophobicContact CE1-CD1 3.96Å
509	L	97.1	Very high	92.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	133.1	-176.4	-177.8	146.5	0	0	0	112	Y489 A495 W496 N511 L519 F521 F527 W710	Y489-L509 HydrophobicContact CD1-CD1 3.88Å; Y489-L509 HydrophobicContact CD1-CD2 4.04Å; Y489-L509 HydrophobicContact CE1-CD1 4.43Å; Y489-L509 HydrophobicContact CE1-CD2 3.86Å; A495-L509 CarbonylContact O-C 3.6Å; A495-L509 WeakPolarHBondContact O-CA 3.33Å; W496-L509 HydrophobicContact CB-CD1 4.36Å; L509-N511 HydrophobicContact CD2-CB 4.04Å; L509-L519 HydrophobicContact CB-CB 4.34Å; L509-L519 HydrophobicContact CD2-CB 4.41Å; L509-L519 HydrophobicContact CD2-CD1 3.85Å; L509-L519 PolarHBondContact N-O 3.43Å; L509-L519 WeakPolarHBondContact O-CB 3.17Å; L509-L519 PolarHBondContact O-N 3.11Å; L509-F521 HydrophobicContact CB-CE2 4.11Å; L509-F527 HydrophobicContact CD1-CE2 3.69Å; L509-F527 HydrophobicContact CD1-CZ 4.1Å; L509-W710 HydrophobicContact CD1-CH2 3.83Å; L509-W710 HydrophobicContact CD1-CZ3 3.54Å; L509-W710 HydrophobicContact CD2-CH2 4.16Å; L509-W710 HydrophobicContact CD2-CZ3 4.33Å; L509-W710 HydrophobicContact CG-CH2 4.05Å; L509-W710 HydrophobicContact CG-CZ3 3.73Å
510	T	96.3	Very high	92.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128	163.5	48.3	0	0	0	0	109	G494 A495 L518 F542 F554	G494-T510 WeakPolarHBondContact CA-O 3.5Å; A495-T510 WeakPolarHBondContact CB-OG1 3.46Å; A495-T510 PolarHBondContact N-O 3.42Å; A495-T510 PolarHBondContact O-N 3.26Å; A495-T510 PolarHBondContact O-OG1 2.96Å; T510-L518 HydrophobicContact CG2-CD1 3.63Å; T510-F542 HydrophobicContact CG2-CD1 4.21Å; T510-F542 HydrophobicContact CG2-CE1 3.58Å; T510-F542 HydrophobicContact CG2-CZ 3.84Å; T510-F554 HydrophobicContact CG2-CE2 4.32Å; T510-F554 HydrophobicContact CG2-CZ 3.75Å
511	N	94.3	Very high	92.6	Very high	55 Å²	55	47.4 Å²	47.4	29%	0.294	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	125.8	-178.4	-176.4	29.5	0	0	0	110.4	G490 L491 L509	G490-N511 WeakPolarHBondContact CA-OD1 3.47Å; L491-N511 PolarHBondContact N-OD1 2.04Å; L509-N511 HydrophobicContact CD2-CB 4.04Å
512	G	92.2	Very high	92.7	Very high	5 Å²	5	51.3 Å²	51.3	5%	0.052	26%	0.26	C	S	.	.	S	Bend	trans	84.1	163.8	-173.5	0	0	0	0	0	114	D493 Y514	D493-G512 WeakPolarHBondContact O-CA 3.28Å; D493-G512 PolarHBondContact O-N 3.36Å; G512-Y514 PolarHBondContact O-N 3.11Å
513	H	89.1	Confident	93.2	Very high	76 Å²	76	52.3 Å²	52.3	35%	0.352	26%	0.262	S	S	.	.	S	Bend	trans	-75.4	-8.3	172.9	-170.1	-74.9	0	0	0	113.2	D493 T543 G544 E595	D493-H513 HydrophobicContact CB-CB 4.09Å; H513-T543 CarbonylContact O-C 3.54Å; H513-T543 WeakPolarHBondContact O-CA 3.46Å; H513-G544 PolarHBondContact ND1-N 3.31Å; H513-G544 PolarHBondContact O-N 2.87Å; H513-E595 IonicContact CE1-OE1 2.64Å; H513-E595 PolarHBondContact CE1-OE1 2.95Å; H513-E595 IonicContact CE1-OE2 3.15Å
514	Y	92.1	Very high	94.2	Very high	106 Å²	106	45.7 Å²	45.7	42%	0.416	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	135.9	-179.2	-176.5	-76.5	0	0	0	109.5	G512 D541 F542 A559 F560	G512-Y514 PolarHBondContact O-N 3.11Å; Y514-D541 HydrophobicContact CE1-CB 3.96Å; Y514-D541 VanDerWaalsContact CE1-OD2 3.25Å; Y514-D541 WeakPolarHBondContact CE1-OD2 3.19Å; Y514-D541 HydrophobicContact CE2-CB 4.35Å; Y514-D541 VanDerWaalsContact CZ-OD2 3.27Å; Y514-D541 WeakPolarHBondContact OH-CB 3Å; Y514-D541 PolarHBondContact OH-OD2 2.95Å; Y514-F542 WeakPolarHBondContact CA-O 3.48Å; Y514-A559 HydrophobicContact CD2-CB 4.15Å; Y514-A559 HydrophobicContact CE2-CB 3.54Å; Y514-F560 HydrophobicContact CE2-CD2 4.42Å; Y514-F560 AromaticContact CE2-CE2 3.53Å; Y514-F560 HydrophobicContact CE2-CE2 3.53Å; Y514-F560 AromaticContact CE2-CZ 3.72Å; Y514-F560 HydrophobicContact CE2-CZ 3.72Å; Y514-F560 AromaticContact CZ-CE2 3.96Å
515	G	93.8	Very high	94.9	Very high	17 Å²	17	51 Å²	51	18%	0.175	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.8	-172.8	176	0	0	0	0	0	113.7	D541 F542	G515-D541 CarbonylContact O-C 3.49Å; G515-D541 VanDerWaalsContact O-CA 3.25Å; G515-D541 WeakPolarHBondContact O-CA 3.5Å; G515-F542 VanDerWaalsContact C-CE1 3.41Å; G515-F542 PolarHBondContact N-O 2.89Å; G515-F542 WeakPolarHBondContact O-CD1 3.26Å; G515-F542 WeakPolarHBondContact O-CE1 3.4Å; G515-F542 WeakPolarHBondContact O-CG 3.4Å; G515-F542 PolarHBondContact O-N 2.84Å
516	N	96.2	Very high	95.1	Very high	49 Å²	49	43.7 Å²	43.7	26%	0.262	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	24.3	179.8	57.3	30.6	0	0	0	113.6	K537 L538 D541	N516-K537 WeakPolarHBondContact O-CA 3.25Å; N516-L538 HydrophobicContact CB-CB 4.37Å; N516-L538 PolarHBondContact O-N 3.34Å; N516-D541 HydrophobicContact CB-CB 4.47Å; N516-D541 VanDerWaalsContact CB-OD1 3.25Å; N516-D541 WeakPolarHBondContact CB-OD1 3.33Å; N516-D541 PolarHBondContact ND2-OD1 3.3Å
517	S	96.8	Very high	95.1	Very high	49 Å²	49	41.9 Å²	41.9	34%	0.343	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	113.9	-179.7	-66.3	0	0	0	0	110	Y536	S517-Y536 WeakPolarHBondContact CA-O 3.38Å
518	L	97.9	Very high	95	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	121	167.7	-177.9	74.7	0	0	0	108.7	Y508 T510 Y536 V549 F554 L569	Y508-L518 HydrophobicContact CD1-CD2 3.94Å; Y508-L518 HydrophobicContact CD1-CG 4.26Å; T510-L518 HydrophobicContact CG2-CD1 3.63Å; L518-Y536 HydrophobicContact CD2-CD2 4.4Å; L518-Y536 PolarHBondContact N-O 2.7Å; L518-Y536 PolarHBondContact O-N 2.65Å; L518-V549 HydrophobicContact CD2-CG2 4.43Å; L518-F554 HydrophobicContact CD1-CD2 3.96Å; L518-F554 HydrophobicContact CD1-CE2 3.68Å; L518-F554 HydrophobicContact CD1-CG 4.48Å; L518-F554 HydrophobicContact CD1-CZ 4Å; L518-F554 HydrophobicContact CD2-CB 3.94Å; L518-F554 HydrophobicContact CD2-CD1 4.24Å; L518-F554 HydrophobicContact CD2-CD2 3.86Å; L518-F554 HydrophobicContact CD2-CE2 4.41Å; L518-F554 HydrophobicContact CD2-CG 3.76Å; L518-L569 HydrophobicContact CD2-CD1 4.41Å; L518-L569 HydrophobicContact CD2-CD2 3.63Å
519	L	96.9	Very high	94.8	Very high	25 Å²	25	48.9 Å²	48.9	13%	0.131	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	139.4	-175.8	-62.1	-179.7	0	0	0	110.4	Y489 Y508 L509 F521 M532	Y489-L519 HydrophobicContact CE1-CD1 4.24Å; Y508-L519 CarbonylContact C-O 3.6Å; Y508-L519 WeakPolarHBondContact CA-O 3.31Å; L509-L519 HydrophobicContact CB-CB 4.34Å; L509-L519 HydrophobicContact CD2-CB 4.41Å; L509-L519 HydrophobicContact CD2-CD1 3.85Å; L509-L519 PolarHBondContact N-O 3.43Å; L509-L519 WeakPolarHBondContact O-CB 3.17Å; L509-L519 PolarHBondContact O-N 3.11Å; L519-F521 HydrophobicContact CB-CE2 4.29Å; L519-M532 HydrophobicContact CB-CE 3.72Å; L519-M532 HydrophobicContact CB-SD 3.63Å; L519-M532 HydrophobicContact CD1-CE 3.79Å; L519-M532 HydrophobicContact CD2-CE 3.96Å; L519-M532 HydrophobicContact CD2-SD 3.9Å; L519-M532 HydrophobicContact CG-CE 4.01Å; L519-M532 HydrophobicContact CG-SD 4.23Å
520	E	96.8	Very high	94.5	Very high	28 Å²	28	50.6 Å²	50.6	13%	0.131	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	124.6	-176.2	-175.2	178.1	69.5	0	0	111.2	V506 Y508 S533 N534 Y536	V506-E520 HydrophobicContact CG1-CG 3.48Å; V506-E520 VanDerWaalsContact CG1-CG 3.48Å; Y508-E520 HydrophobicContact CD1-CB 4.23Å; Y508-E520 HydrophobicContact CD1-CG 4.24Å; Y508-E520 HydrophobicContact CE1-CB 4Å; Y508-E520 HydrophobicContact CE1-CG 3.64Å; Y508-E520 WeakPolarHBondContact CE1-OE2 3.21Å; Y508-E520 VanDerWaalsContact CZ-OE2 3.32Å; Y508-E520 PolarHBondContact OH-OE2 2.79Å; E520-S533 WeakPolarHBondContact O-CA 3.48Å; E520-S533 VanDerWaalsContact O-CB 3.31Å; E520-S533 WeakPolarHBondContact O-CB 3.34Å; E520-S533 PolarHBondContact O-N 3.47Å; E520-N534 HydrophobicContact CB-CB 4.21Å; E520-N534 PolarHBondContact N-O 3.49Å; E520-N534 PolarHBondContact O-N 3.02Å; E520-N534 VanDerWaalsContact O-N 3.15Å; E520-N534 VanDerWaalsContact OE1-CB 3.29Å; E520-N534 WeakPolarHBondContact OE1-CB 3.48Å; E520-N534 PolarHBondContact OE1-ND2 2.64Å; E520-Y536 HydrophobicContact CB-CD2 4.47Å; E520-Y536 HydrophobicContact CB-CE2 3.92Å; E520-Y536 HydrophobicContact CG-CE2 4.31Å; E520-Y536 PolarHBondContact OE1-OH 2.89Å; E520-Y536 WeakPolarHBondContact OE2-CE2 3.27Å; E520-Y536 PolarHBondContact OE2-OH 2.82Å
521	F	96.8	Very high	94.3	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	127.8	175	-58.2	-99.8	0	0	0	109.1	V506 I507 L509 L519 D523 F527 Q531 M532	V506-F521 WeakPolarHBondContact CA-O 3.32Å; V506-F521 WeakPolarHBondContact CG1-O 3.22Å; I507-F521 HydrophobicContact CB-CB 4.42Å; I507-F521 PolarHBondContact N-O 2.87Å; I507-F521 PolarHBondContact O-N 2.93Å; L509-F521 HydrophobicContact CB-CE2 4.11Å; L519-F521 HydrophobicContact CB-CE2 4.29Å; F521-D523 PolarHBondContact O-N 2.69Å; F521-F527 HydrophobicContact CB-CB 4.15Å; F521-F527 HydrophobicContact CB-CD2 4.29Å; F521-F527 HydrophobicContact CD1-CB 4.36Å; F521-F527 HydrophobicContact CD1-CD2 4.07Å; F521-F527 AromaticContact CD2-CD2 3.56Å; F521-F527 HydrophobicContact CD2-CD2 3.56Å; F521-F527 HydrophobicContact CD2-CE2 4.06Å; F521-F527 HydrophobicContact CE1-CD2 4.19Å; F521-F527 AromaticContact CE2-CD2 3.71Å; F521-F527 HydrophobicContact CE2-CD2 3.71Å; F521-F527 AromaticContact CE2-CE2 3.91Å; F521-F527 HydrophobicContact CE2-CE2 3.91Å; F521-F527 HydrophobicContact CG-CB 4.26Å; F521-F527 AromaticContact CG-CD2 3.74Å; F521-F527 HydrophobicContact CG-CD2 3.74Å; F521-F527 HydrophobicContact CZ-CD2 4Å; F521-F527 HydrophobicContact CZ-CE2 4.38Å; F521-Q531 WeakPolarHBondContact CD1-O 3.35Å; F521-M532 HydrophobicContact CD1-CE 4.48Å; F521-M532 HydrophobicContact CE1-CE 3.68Å; F521-M532 HydrophobicContact CE1-SD 4.45Å; F521-M532 HydrophobicContact CE2-CE 3.71Å; F521-M532 HydrophobicContact CE2-SD 4.25Å; F521-M532 HydrophobicContact CZ-CE 3.25Å; F521-M532 HydrophobicContact CZ-SD 4.23Å
522	R	95.1	Very high	94.3	Very high	183 Å²	183	57.7 Å²	57.7	69%	0.691	29%	0.292	S	S	*	.	S	Bend	trans	-53.2	-38.1	-176.1	179.3	-178.2	177.9	167.2	-1.1	114.1	K505 V506 S533	K505-R522 CarbonylContact C-O 3.49Å; V506-R522 WeakPolarHBondContact CA-O 3.31Å; V506-R522 PolarHBondContact N-O 2.92Å; R522-S533 WeakPolarHBondContact CB-OG 3.49Å; R522-S533 PolarHBondContact N-OG 3.2Å
523	D	94.4	Very high	94.5	Very high	37 Å²	37	60.4 Å²	60.4	20%	0.198	31%	0.31	C	S	.	.	S	Bend	trans	-161.9	179.5	-175.9	54.8	59.6	0	0	0	111.4	K505 F521 E525 A526 F527	K505-D523 HydrophobicContact CB-CB 4.02Å; F521-D523 PolarHBondContact O-N 2.69Å; D523-E525 VanDerWaalsContact C-N 3.28Å; D523-E525 PolarHBondContact O-N 2.72Å; D523-E525 WeakPolarHBondContact OD1-CB 3.46Å; D523-E525 PolarHBondContact OD1-N 3.48Å; D523-A526 PolarHBondContact OD1-N 3.35Å; D523-F527 WeakPolarHBondContact O-CB 3.31Å; D523-F527 PolarHBondContact O-N 3.08Å
524	M	93.9	Very high	94.7	Very high	52 Å²	52	58.7 Å²	58.7	26%	0.256	30%	0.304	S	S	.	.	H	α-helix	trans	-67.4	-21.8	-178.8	-172.7	61.1	78.1	0	0	113.8	Q486 W496 I507 F527 K528	Q486-M524 HydrophobicContact CB-CE 4.37Å; Q486-M524 HydrophobicContact CB-SD 4.08Å; Q486-M524 HydrophobicContact CG-CE 4.11Å; Q486-M524 HydrophobicContact CG-SD 4.39Å; W496-M524 HydrophobicContact CH2-CE 4.41Å; W496-M524 HydrophobicContact CZ3-CE 4.18Å; I507-M524 HydrophobicContact CD1-CB 4.17Å; I507-M524 HydrophobicContact CD1-CE 3.74Å; I507-M524 HydrophobicContact CD1-SD 3.87Å; M524-F527 HydrophobicContact SD-CD1 3.83Å; M524-K528 HydrophobicContact CG-CD 4.3Å; M524-K528 WeakPolarHBondContact O-CB 3.43Å; M524-K528 VanDerWaalsContact O-CG 3.23Å; M524-K528 WeakPolarHBondContact O-CG 3.46Å; M524-K528 PolarHBondContact O-N 2.98Å; M524-K528 HydrophobicContact SD-CD 4.45Å; M524-K528 VanDerWaalsContact SD-CE 3.51Å; M524-K528 HydrophobicContact SD-CG 4.35Å
525	E	94.4	Very high	94.9	Very high	162 Å²	162	56.2 Å²	56.2	76%	0.757	30%	0.302	S	S	*	.	H	α-helix	trans	-82.7	-42.5	179.3	-67	169.9	-145.1	0	0	110.2	D523 F527 K528 S529	D523-E525 VanDerWaalsContact C-N 3.28Å; D523-E525 PolarHBondContact O-N 2.72Å; D523-E525 WeakPolarHBondContact OD1-CB 3.46Å; D523-E525 PolarHBondContact OD1-N 3.48Å; E525-F527 VanDerWaalsContact C-N 3.3Å; E525-F527 PolarHBondContact O-N 3.21Å; E525-K528 PolarHBondContact O-N 2.88Å; E525-S529 WeakPolarHBondContact O-CB 3.43Å; E525-S529 PolarHBondContact O-N 2.85Å; E525-S529 PolarHBondContact O-OG 3.38Å
526	A	94.6	Very high	95.1	Very high	13 Å²	13	56.3 Å²	56.3	11%	0.107	30%	0.297	C	S	.	.	H	α-helix	trans	-58.2	-42	167	0	0	0	0	0	111.7	D523 S529 G530 Q531	D523-A526 PolarHBondContact OD1-N 3.35Å; A526-S529 WeakPolarHBondContact CA-OG 3.49Å; A526-S529 PolarHBondContact O-N 3.27Å; A526-S529 PolarHBondContact O-OG 2.66Å; A526-G530 PolarHBondContact O-N 2.87Å; A526-G530 VanDerWaalsContact O-N 3.1Å; A526-Q531 HydrophobicContact CB-CB 4.46Å; A526-Q531 PolarHBondContact O-N 2.62Å
527	F	95.1	Very high	95.2	Very high	1 Å²	1	61.7 Å²	61.7	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-63.1	-47.2	177.4	-171.9	-125.6	0	0	0	113.1	T487 W496 I507 L509 F521 D523 M524 E525 S529 G530 Q715	T487-F527 HydrophobicContact CG2-CD1 3.83Å; T487-F527 HydrophobicContact CG2-CE1 3.47Å; T487-F527 VanDerWaalsContact CG2-CE1 3.47Å; T487-F527 HydrophobicContact CG2-CE2 4.2Å; T487-F527 HydrophobicContact CG2-CG 4.36Å; T487-F527 HydrophobicContact CG2-CZ 3.68Å; W496-F527 HydrophobicContact CB-CZ 4.42Å; W496-F527 HydrophobicContact CD2-CE1 4.33Å; W496-F527 HydrophobicContact CD2-CZ 4.17Å; W496-F527 AromaticContact CE3-CE1 3.56Å; W496-F527 HydrophobicContact CE3-CE1 3.56Å; W496-F527 AromaticContact CE3-CZ 3.64Å; W496-F527 HydrophobicContact CE3-CZ 3.64Å; W496-F527 AromaticContact CZ3-CE1 3.74Å; W496-F527 HydrophobicContact CZ3-CE1 3.74Å; W496-F527 HydrophobicContact CZ3-CZ 4.3Å; I507-F527 HydrophobicContact CB-CD2 4.48Å; I507-F527 HydrophobicContact CD1-CB 3.83Å; I507-F527 HydrophobicContact CD1-CD1 3.78Å; I507-F527 HydrophobicContact CD1-CE1 4.44Å; I507-F527 HydrophobicContact CD1-CG 3.87Å; I507-F527 HydrophobicContact CG2-CD1 4.29Å; I507-F527 HydrophobicContact CG2-CD2 3.85Å; I507-F527 HydrophobicContact CG2-CE1 4.18Å; I507-F527 HydrophobicContact CG2-CE2 3.72Å; I507-F527 HydrophobicContact CG2-CG 4.11Å; I507-F527 HydrophobicContact CG2-CZ 3.88Å; L509-F527 HydrophobicContact CD1-CE2 3.69Å; L509-F527 HydrophobicContact CD1-CZ 4.1Å; F521-F527 HydrophobicContact CB-CB 4.15Å; F521-F527 HydrophobicContact CB-CD2 4.29Å; F521-F527 HydrophobicContact CD1-CB 4.36Å; F521-F527 HydrophobicContact CD1-CD2 4.07Å; F521-F527 AromaticContact CD2-CD2 3.56Å; F521-F527 HydrophobicContact CD2-CD2 3.56Å; F521-F527 HydrophobicContact CD2-CE2 4.06Å; F521-F527 HydrophobicContact CE1-CD2 4.19Å; F521-F527 AromaticContact CE2-CD2 3.71Å; F521-F527 HydrophobicContact CE2-CD2 3.71Å; F521-F527 AromaticContact CE2-CE2 3.91Å; F521-F527 HydrophobicContact CE2-CE2 3.91Å; F521-F527 HydrophobicContact CG-CB 4.26Å; F521-F527 AromaticContact CG-CD2 3.74Å; F521-F527 HydrophobicContact CG-CD2 3.74Å; F521-F527 HydrophobicContact CZ-CD2 4Å; F521-F527 HydrophobicContact CZ-CE2 4.38Å; D523-F527 WeakPolarHBondContact O-CB 3.31Å; D523-F527 PolarHBondContact O-N 3.08Å; M524-F527 HydrophobicContact SD-CD1 3.83Å; E525-F527 VanDerWaalsContact C-N 3.3Å; E525-F527 PolarHBondContact O-N 3.21Å; F527-S529 VanDerWaalsContact C-N 3.29Å; F527-S529 PolarHBondContact O-N 2.84Å; F527-G530 PolarHBondContact O-N 3.47Å; F527-Q715 HydrophobicContact CE1-CB 4.27Å; F527-Q715 HydrophobicContact CZ-CB 4.23Å; F527-Q715 HydrophobicContact CZ-CG 4.03Å
528	K	93.8	Very high	95.2	Very high	101 Å²	101	59.6 Å²	59.6	44%	0.439	30%	0.303	S	S	.	.	H	α-helix	trans	-70	-23.3	178.7	-72	-177.3	-173	-161	0	114	Q486 M524 E525	Q486-K528 WeakPolarHBondContact O-CD 3.25Å; Q486-K528 WeakPolarHBondContact O-CE 3.4Å; Q486-K528 WeakPolarHBondContact O-CG 3.48Å; Q486-K528 VanDerWaalsContact OE1-CE 3.23Å; M524-K528 HydrophobicContact CG-CD 4.3Å; M524-K528 WeakPolarHBondContact O-CB 3.43Å; M524-K528 VanDerWaalsContact O-CG 3.23Å; M524-K528 WeakPolarHBondContact O-CG 3.46Å; M524-K528 PolarHBondContact O-N 2.98Å; M524-K528 HydrophobicContact SD-CD 4.45Å; M524-K528 VanDerWaalsContact SD-CE 3.51Å; M524-K528 HydrophobicContact SD-CG 4.35Å; E525-K528 PolarHBondContact O-N 2.88Å
529	S	92.9	Very high	95.1	Very high	68 Å²	68	63.1 Å²	63.1	48%	0.476	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	1.2	173.4	56.5	0	0	0	0	113.8	E525 A526 F527 Q531	E525-S529 WeakPolarHBondContact O-CB 3.43Å; E525-S529 PolarHBondContact O-N 2.85Å; E525-S529 PolarHBondContact O-OG 3.38Å; A526-S529 WeakPolarHBondContact CA-OG 3.49Å; A526-S529 PolarHBondContact O-N 3.27Å; A526-S529 PolarHBondContact O-OG 2.66Å; F527-S529 VanDerWaalsContact C-N 3.29Å; F527-S529 PolarHBondContact O-N 2.84Å; S529-Q531 PolarHBondContact O-N 3.26Å
530	G	91.4	Very high	95.1	Very high	36 Å²	36	66.9 Å²	66.9	37%	0.371	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	13.5	-178.2	0	0	0	0	0	114.6	A526 F527 M532	A526-G530 PolarHBondContact O-N 2.87Å; A526-G530 VanDerWaalsContact O-N 3.1Å; F527-G530 PolarHBondContact O-N 3.47Å; G530-M532 PolarHBondContact O-N 3.22Å; G530-M532 VanDerWaalsContact O-N 3.11Å
531	Q	92.6	Very high	95	Very high	133 Å²	133	67.8 Å²	67.8	62%	0.621	35%	0.345	S	S	*	.			trans	-81.2	92.9	-175.7	-67.8	-168.1	2.8	0	0	111.7	F521 A526 S529 S533	F521-Q531 WeakPolarHBondContact CD1-O 3.35Å; A526-Q531 HydrophobicContact CB-CB 4.46Å; A526-Q531 PolarHBondContact O-N 2.62Å; S529-Q531 PolarHBondContact O-N 3.26Å; Q531-S533 PolarHBondContact O-N 3.38Å
532	M	93.9	Very high	94.9	Very high	70 Å²	70	67.9 Å²	67.9	35%	0.345	35%	0.345	S	S	.	.			trans	-54.1	129	172.8	-162	56.5	50.9	0	0	111.3	L519 F521 G530 N534	L519-M532 HydrophobicContact CB-CE 3.72Å; L519-M532 HydrophobicContact CB-SD 3.63Å; L519-M532 HydrophobicContact CD1-CE 3.79Å; L519-M532 HydrophobicContact CD2-CE 3.96Å; L519-M532 HydrophobicContact CD2-SD 3.9Å; L519-M532 HydrophobicContact CG-CE 4.01Å; L519-M532 HydrophobicContact CG-SD 4.23Å; F521-M532 HydrophobicContact CD1-CE 4.48Å; F521-M532 HydrophobicContact CE1-CE 3.68Å; F521-M532 HydrophobicContact CE1-SD 4.45Å; F521-M532 HydrophobicContact CE2-CE 3.71Å; F521-M532 HydrophobicContact CE2-SD 4.25Å; F521-M532 HydrophobicContact CZ-CE 3.25Å; F521-M532 HydrophobicContact CZ-SD 4.23Å; G530-M532 PolarHBondContact O-N 3.22Å; G530-M532 VanDerWaalsContact O-N 3.11Å; M532-N534 VanDerWaalsContact SD-O 3.34Å
533	S	95.1	Very high	94.8	Very high	63 Å²	63	60.2 Å²	60.2	44%	0.441	32%	0.319	S	S	.	.			trans	-95.9	-36.1	176.9	-55.7	0	0	0	0	112	E520 R522 Q531	E520-S533 WeakPolarHBondContact O-CA 3.48Å; E520-S533 VanDerWaalsContact O-CB 3.31Å; E520-S533 WeakPolarHBondContact O-CB 3.34Å; E520-S533 PolarHBondContact O-N 3.47Å; R522-S533 WeakPolarHBondContact CB-OG 3.49Å; R522-S533 PolarHBondContact N-OG 3.2Å; Q531-S533 PolarHBondContact O-N 3.38Å
534	N	95.2	Very high	94.6	Very high	40 Å²	40	58.6 Å²	58.6	21%	0.214	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	163.9	178.3	167.2	44	0	0	0	109.5	E520 M532 Y536 R572	E520-N534 HydrophobicContact CB-CB 4.21Å; E520-N534 PolarHBondContact N-O 3.49Å; E520-N534 PolarHBondContact O-N 3.02Å; E520-N534 VanDerWaalsContact O-N 3.15Å; E520-N534 VanDerWaalsContact OE1-CB 3.29Å; E520-N534 WeakPolarHBondContact OE1-CB 3.48Å; E520-N534 PolarHBondContact OE1-ND2 2.64Å; M532-N534 VanDerWaalsContact SD-O 3.34Å; N534-Y536 VanDerWaalsContact ND2-CE2 3.29Å; N534-Y536 WeakPolarHBondContact ND2-CE2 3.47Å; N534-Y536 PolarHBondContact ND2-OH 3.39Å; N534-R572 PolarHBondContact ND2-NH2 2.02Å; N534-R572 PolarHBondContact OD1-NH2 2.83Å
535	S	96.3	Very high	94.6	Very high	53 Å²	53	57.2 Å²	57.2	37%	0.371	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	132.8	176.6	176.9	0	0	0	0	110.2
536	Y	97.7	Very high	94.5	Very high	19 Å²	19	50.1 Å²	50.1	8%	0.075	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	108.2	177.7	-59	-86.9	0	0	0	109.3	Y508 S517 L518 E520 N534 L538 L569 R572	Y508-Y536 HydrophobicContact CE1-CE2 4.04Å; S517-Y536 WeakPolarHBondContact CA-O 3.38Å; L518-Y536 HydrophobicContact CD2-CD2 4.4Å; L518-Y536 PolarHBondContact N-O 2.7Å; L518-Y536 PolarHBondContact O-N 2.65Å; E520-Y536 HydrophobicContact CB-CD2 4.47Å; E520-Y536 HydrophobicContact CB-CE2 3.92Å; E520-Y536 HydrophobicContact CG-CE2 4.31Å; E520-Y536 PolarHBondContact OE1-OH 2.89Å; E520-Y536 WeakPolarHBondContact OE2-CE2 3.27Å; E520-Y536 PolarHBondContact OE2-OH 2.82Å; N534-Y536 VanDerWaalsContact ND2-CE2 3.29Å; N534-Y536 WeakPolarHBondContact ND2-CE2 3.47Å; N534-Y536 PolarHBondContact ND2-OH 3.39Å; Y536-L538 PolarHBondContact O-N 3.39Å; Y536-L569 HydrophobicContact CD1-CD2 4.19Å; Y536-L569 HydrophobicContact CD2-CD2 4.07Å; Y536-L569 HydrophobicContact CE1-CB 4.18Å; Y536-L569 HydrophobicContact CE1-CD2 4.32Å; Y536-L569 WeakPolarHBondContact CE1-O 3.4Å; Y536-L569 HydrophobicContact CE2-CD2 4.2Å; Y536-L569 HydrophobicContact CG-CD2 4.05Å; Y536-R572 HydrophobicContact CD1-CG 4.21Å; Y536-R572 HydrophobicContact CE1-CG 4.35Å
537	K	97	Very high	94.5	Very high	163 Å²	163	49.6 Å²	49.6	71%	0.709	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	121.1	164.9	-174.9	173.5	-178.8	177.8	0	109.1	N516	N516-K537 WeakPolarHBondContact O-CA 3.25Å
538	L	97.5	Very high	94.6	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.026	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	148.6	177.9	-57.1	175.4	0	0	0	110.2	N516 Y536 Y540 F542 F554 Y556 F567	N516-L538 HydrophobicContact CB-CB 4.37Å; N516-L538 PolarHBondContact O-N 3.34Å; Y536-L538 PolarHBondContact O-N 3.39Å; L538-Y540 VanDerWaalsContact C-N 3.28Å; L538-Y540 WeakPolarHBondContact CB-O 3.28Å; L538-Y540 PolarHBondContact O-N 3.03Å; L538-F542 HydrophobicContact CD1-CD1 3.85Å; L538-F542 HydrophobicContact CD1-CE1 4.49Å; L538-F554 HydrophobicContact CD1-CD1 4.19Å; L538-F554 HydrophobicContact CD1-CE1 3.72Å; L538-F554 HydrophobicContact CD2-CD1 3.99Å; L538-F554 HydrophobicContact CD2-CE1 4.36Å; L538-Y556 HydrophobicContact CD1-CE1 4.24Å; L538-Y556 HydrophobicContact CD1-CE2 4.41Å; L538-Y556 HydrophobicContact CD2-CE1 4.28Å; L538-F567 HydrophobicContact CD2-CD1 3.71Å; L538-F567 HydrophobicContact CD2-CE1 3.86Å; L538-F567 HydrophobicContact CD2-CG 4.1Å; L538-F567 HydrophobicContact CD2-CZ 4.37Å
539	P	96.1	Very high	94.8	Very high	73 Å²	73	45.1 Å²	45.1	47%	0.474	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	-22.5	177.1	-22.4	36.1	0	0	0	114.1	F567 V574	P539-F567 VanDerWaalsContact CD-CE2 3.48Å; P539-F567 HydrophobicContact CG-CD2 4.19Å; P539-F567 HydrophobicContact CG-CE2 3.84Å; P539-V574 HydrophobicContact CG-CG2 4.23Å
540	Y	96.3	Very high	95	Very high	104 Å²	104	42.2 Å²	42.2	41%	0.408	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.7	177.4	-52.7	-76.3	0	0	0	109.5	L538 Y556 I565 V574	L538-Y540 VanDerWaalsContact C-N 3.28Å; L538-Y540 WeakPolarHBondContact CB-O 3.28Å; L538-Y540 PolarHBondContact O-N 3.03Å; Y540-Y556 PolarHBondContact O-OH 2.94Å; Y540-I565 HydrophobicContact CD2-CD1 3.56Å; Y540-I565 HydrophobicContact CE2-CD1 4.24Å; Y540-I565 HydrophobicContact CG-CD1 4.26Å; Y540-V574 HydrophobicContact CD2-CG2 4.33Å; Y540-V574 HydrophobicContact CE2-CG2 4.15Å
541	D	95.7	Very high	95.1	Very high	48 Å²	48	43.8 Å²	43.8	26%	0.257	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	145.4	176.5	-60.5	4.8	0	0	0	110.5	Y514 G515 N516 A559	Y514-D541 HydrophobicContact CE1-CB 3.96Å; Y514-D541 VanDerWaalsContact CE1-OD2 3.25Å; Y514-D541 WeakPolarHBondContact CE1-OD2 3.19Å; Y514-D541 HydrophobicContact CE2-CB 4.35Å; Y514-D541 VanDerWaalsContact CZ-OD2 3.27Å; Y514-D541 WeakPolarHBondContact OH-CB 3Å; Y514-D541 PolarHBondContact OH-OD2 2.95Å; G515-D541 CarbonylContact O-C 3.49Å; G515-D541 VanDerWaalsContact O-CA 3.25Å; G515-D541 WeakPolarHBondContact O-CA 3.5Å; N516-D541 HydrophobicContact CB-CB 4.47Å; N516-D541 VanDerWaalsContact CB-OD1 3.25Å; N516-D541 WeakPolarHBondContact CB-OD1 3.33Å; N516-D541 PolarHBondContact ND2-OD1 3.3Å; D541-A559 HydrophobicContact CB-CB 4.27Å; D541-A559 PolarHBondContact O-N 2.98Å
542	F	94.8	Very high	95.3	Very high	1 Å²	1	38.9 Å²	38.9	0%	0.004	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	155.6	173.8	65.3	-108.2	0	0	0	111.7	T510 Y514 G515 L538 H547 Y556 N557	T510-F542 HydrophobicContact CG2-CD1 4.21Å; T510-F542 HydrophobicContact CG2-CE1 3.58Å; T510-F542 HydrophobicContact CG2-CZ 3.84Å; Y514-F542 WeakPolarHBondContact CA-O 3.48Å; G515-F542 VanDerWaalsContact C-CE1 3.41Å; G515-F542 PolarHBondContact N-O 2.89Å; G515-F542 WeakPolarHBondContact O-CD1 3.26Å; G515-F542 WeakPolarHBondContact O-CE1 3.4Å; G515-F542 WeakPolarHBondContact O-CG 3.4Å; G515-F542 PolarHBondContact O-N 2.84Å; L538-F542 HydrophobicContact CD1-CD1 3.85Å; L538-F542 HydrophobicContact CD1-CE1 4.49Å; F542-H547 AromaticContact CD2-NE2 3.47Å; F542-H547 WeakPolarHBondContact CD2-NE2 3.31Å; F542-H547 AromaticContact CG-NE2 3.86Å; F542-Y556 HydrophobicContact CB-CD2 3.59Å; F542-Y556 HydrophobicContact CB-CE2 4.23Å; F542-Y556 HydrophobicContact CB-CG 4.3Å; F542-N557 VanDerWaalsContact CA-O 3.29Å; F542-N557 WeakPolarHBondContact CA-O 3.43Å
543	T	91.6	Very high	95.5	Very high	23 Å²	23	35.5 Å²	35.5	14%	0.141	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.5	164.6	-173.6	0	0	0	0	110.8	H513 H547 N557 A559 E595	H513-T543 CarbonylContact O-C 3.54Å; H513-T543 WeakPolarHBondContact O-CA 3.46Å; T543-H547 PolarHBondContact O-CE1 2.77Å; T543-N557 HydrophobicContact CG2-CB 4.43Å; T543-N557 VanDerWaalsContact CG2-ND2 3.28Å; T543-N557 WeakPolarHBondContact CG2-ND2 3.34Å; T543-N557 PolarHBondContact N-O 3.29Å; T543-N557 VanDerWaalsContact N-O 3.16Å; T543-A559 HydrophobicContact CG2-CB 4.46Å; T543-E595 WeakPolarHBondContact CB-OE2 3.4Å; T543-E595 WeakPolarHBondContact CG2-OE2 3.35Å; T543-E595 PolarHBondContact OG1-OE1 2.84Å; T543-E595 PolarHBondContact OG1-OE2 3.45Å
544	G	90.6	Very high	95.6	Very high	3 Å²	3	32.5 Å²	32.5	3%	0.031	18%	0.178	C	C	.	.	S	Bend	trans	80.3	-169.7	-179.7	0	0	0	0	0	113	H513 H547 E595	H513-G544 PolarHBondContact ND1-N 3.31Å; H513-G544 PolarHBondContact O-N 2.87Å; G544-H547 PolarHBondContact O-NE2 3.27Å; G544-E595 VanDerWaalsContact CA-OE2 3.29Å; G544-E595 WeakPolarHBondContact CA-OE2 3.46Å; G544-E595 PolarHBondContact N-OE2 2.97Å; G544-E595 VanDerWaalsContact N-OE2 3.08Å
545	T	93.3	Very high	95.7	Very high	22 Å²	22	30.6 Å²	30.6	14%	0.135	17%	0.168	C	C	.	.	S	Bend	trans	-126.2	-7.6	-174.8	48.8	0	0	0	0	113.1	G494 A495 H547 S696	G494-T545 VanDerWaalsContact O-CG2 3.28Å; G494-T545 WeakPolarHBondContact O-CG2 2.76Å; A495-T545 WeakPolarHBondContact CB-O 3.47Å; T545-H547 PolarHBondContact O-N 2.7Å; T545-S696 VanDerWaalsContact CB-O 3.23Å; T545-S696 WeakPolarHBondContact CB-O 3.42Å; T545-S696 PolarHBondContact OG1-O 2.74Å
546	G	92.6	Very high	95.8	Very high	14 Å²	14	28.1 Å²	28.1	14%	0.144	15%	0.15	C	C	.	.			trans	-77.1	49.9	-179.8	0	0	0	0	0	114.1	F598	G546-F598 PolarHBondContact O-N 2.82Å
547	H	95.3	Very high	95.7	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	15%	0.149	C	C	.	.			trans	-102.8	149.6	-180	-46.6	-58.8	0	0	0	111	M497 F542 T543 G544 T545 F554 F555 Y556	M497-H547 HydrophobicContact CE-CB 4.32Å; M497-H547 WeakPolarHBondContact CE-O 3.42Å; F542-H547 AromaticContact CD2-NE2 3.47Å; F542-H547 WeakPolarHBondContact CD2-NE2 3.31Å; F542-H547 AromaticContact CG-NE2 3.86Å; T543-H547 PolarHBondContact O-CE1 2.77Å; G544-H547 PolarHBondContact O-NE2 3.27Å; T545-H547 PolarHBondContact O-N 2.7Å; H547-F554 HydrophobicContact CB-CE2 3.47Å; H547-F554 VanDerWaalsContact CB-CE2 3.47Å; H547-F554 HydrophobicContact CB-CZ 3.57Å; H547-F554 AromaticContact CG-CZ 3.87Å; H547-F555 WeakPolarHBondContact CA-O 3.45Å; H547-F555 WeakPolarHBondContact CB-O 3.33Å; H547-Y556 WeakPolarHBondContact ND1-CA 3.41Å; H547-Y556 WeakPolarHBondContact ND1-CB 3.42Å
548	V	97.1	Very high	95.5	Very high	7 Å²	7	24 Å²	24	4%	0.042	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153.2	178.5	-59.2	0	0	0	0	112.4	F554 F555 F598 V600 L605	V548-F554 WeakPolarHBondContact O-CA 3.32Å; V548-F555 HydrophobicContact CG2-CB 3.85Å; V548-F555 HydrophobicContact CG2-CD2 4.21Å; V548-F555 HydrophobicContact CG2-CG 4.31Å; V548-F555 PolarHBondContact N-O 2.97Å; V548-F555 VanDerWaalsContact N-O 3.14Å; V548-F555 PolarHBondContact O-N 3.46Å; V548-F598 HydrophobicContact CB-CB 4.4Å; V548-F598 HydrophobicContact CG1-CB 3.99Å; V548-F598 VanDerWaalsContact CG1-O 3.32Å; V548-F598 WeakPolarHBondContact CG1-O 3.39Å; V548-F598 HydrophobicContact CG2-CB 3.66Å; V548-F598 HydrophobicContact CG2-CG 4.3Å; V548-V600 HydrophobicContact CB-CG2 4.1Å; V548-V600 HydrophobicContact CG1-CG2 4.28Å; V548-V600 HydrophobicContact CG2-CG2 3.87Å; V548-L605 HydrophobicContact CG2-CD1 3.94Å
549	V	97.7	Very high	95.2	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126.8	162.9	179.2	0	0	0	0	108.9	M497 D499 A500 Y508 L518 A553 F554 L569	M497-V549 HydrophobicContact CG-CB 4.47Å; M497-V549 HydrophobicContact CG-CG2 4.11Å; M497-V549 HydrophobicContact SD-CB 4.5Å; M497-V549 HydrophobicContact SD-CG2 3.88Å; D499-V549 WeakPolarHBondContact CA-O 3.18Å; D499-V549 HydrophobicContact CB-CG1 3.74Å; A500-V549 PolarHBondContact N-O 2.55Å; Y508-V549 HydrophobicContact CD1-CG2 4.43Å; Y508-V549 HydrophobicContact CD2-CB 4.06Å; Y508-V549 HydrophobicContact CD2-CG1 4.04Å; Y508-V549 HydrophobicContact CD2-CG2 3.78Å; Y508-V549 HydrophobicContact CE2-CG1 3.98Å; Y508-V549 HydrophobicContact CE2-CG2 4.43Å; Y508-V549 HydrophobicContact CG-CG2 3.79Å; L518-V549 HydrophobicContact CD2-CG2 4.43Å; V549-A553 CarbonylContact C-O 3.54Å; V549-A553 WeakPolarHBondContact CA-O 3.18Å; V549-F554 HydrophobicContact CG2-CB 4.32Å; V549-F554 HydrophobicContact CG2-CD2 3.8Å; V549-L569 HydrophobicContact CG1-CD1 3.82Å; V549-L569 HydrophobicContact CG2-CD1 4.27Å
550	F	96.8	Very high	94.7	Very high	8 Å²	8	27.9 Å²	27.9	4%	0.035	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	117.9	-179.7	-176.8	-118	0	0	0	111.6	D499 A500 R501 A553 F555 V600 L605 H629	D499-F550 WeakPolarHBondContact OD1-CA 3.38Å; A500-F550 HydrophobicContact CB-CD2 4.12Å; R501-F550 HydrophobicContact CB-CD2 3.81Å; R501-F550 HydrophobicContact CB-CE2 3.67Å; R501-F550 HydrophobicContact CB-CZ 4.47Å; R501-F550 HydrophobicContact CG-CE2 4.35Å; F550-A553 PolarHBondContact N-O 2.79Å; F550-A553 PolarHBondContact O-N 3.07Å; F550-F555 HydrophobicContact CB-CD2 4.23Å; F550-F555 HydrophobicContact CB-CE2 3.78Å; F550-F555 HydrophobicContact CD1-CE2 4.47Å; F550-F555 WeakPolarHBondContact O-CE2 3.49Å; F550-V600 HydrophobicContact CB-CG2 4.16Å; F550-V600 HydrophobicContact CD2-CG1 3.52Å; F550-V600 HydrophobicContact CD2-CG2 4.18Å; F550-V600 HydrophobicContact CE2-CG1 3.5Å; F550-V600 VanDerWaalsContact CE2-CG1 3.5Å; F550-V600 HydrophobicContact CG-CG1 4.32Å; F550-V600 HydrophobicContact CG-CG2 4.25Å; F550-V600 HydrophobicContact CZ-CG1 4.31Å; F550-L605 HydrophobicContact CD1-CB 4.35Å; F550-L605 HydrophobicContact CE1-CB 4.28Å; F550-H629 HydrophobicContact CD1-CB 3.89Å; F550-H629 HydrophobicContact CE1-CB 3.68Å; F550-H629 AromaticContact CE1-CD2 3.94Å; F550-H629 AromaticContact CE1-CG 3.84Å
551	N	94.9	Very high	94.4	Very high	69 Å²	69	23.8 Å²	23.8	37%	0.369	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	58.3	-179.3	-166.2	108.3	0	0	0	112.3	D499 R501 A553	D499-N551 PolarHBondContact OD1-N 3.12Å; D499-N551 PolarHBondContact OD2-N 2.88Å; R501-N551 HydrophobicContact CB-CB 4.25Å; R501-N551 VanDerWaalsContact CZ-OD1 3.26Å; R501-N551 PolarHBondContact NE-OD1 3.31Å; R501-N551 PolarHBondContact NH2-OD1 2.91Å; N551-A553 PolarHBondContact O-N 3.41Å
552	G	95.4	Very high	94.1	Very high	29 Å²	29	26.6 Å²	26.6	30%	0.299	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	15.3	175.9	0	0	0	0	0	115.5	D499 L569	D499-G552 PolarHBondContact OD2-N 2.69Å; G552-L569 WeakPolarHBondContact O-CB 3.32Å; G552-L569 PolarHBondContact O-N 3.22Å
553	A	97.6	Very high	94.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.5	174.4	0	0	0	0	0	111.2	V549 F550 N551 F555 R566 F567	V549-A553 CarbonylContact C-O 3.54Å; V549-A553 WeakPolarHBondContact CA-O 3.18Å; F550-A553 PolarHBondContact N-O 2.79Å; F550-A553 PolarHBondContact O-N 3.07Å; N551-A553 PolarHBondContact O-N 3.41Å; A553-F555 HydrophobicContact CB-CE2 3.93Å; A553-F555 HydrophobicContact CB-CZ 4.4Å; A553-F555 WeakPolarHBondContact O-CD2 3.44Å; A553-R566 HydrophobicContact CB-CG 3.96Å; A553-R566 VanDerWaalsContact CB-CZ 3.49Å; A553-F567 CarbonylContact C-O 3.47Å; A553-F567 WeakPolarHBondContact CA-O 3.47Å; A553-F567 WeakPolarHBondContact CB-O 3.38Å
554	F	98.2	Very high	94.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	132	173.8	178.6	-118.7	0	0	0	109.5	M497 T510 L518 L538 H547 V548 V549 Y556 F567 L569	M497-F554 HydrophobicContact SD-CD2 4.38Å; M497-F554 HydrophobicContact SD-CE2 4.1Å; T510-F554 HydrophobicContact CG2-CE2 4.32Å; T510-F554 HydrophobicContact CG2-CZ 3.75Å; L518-F554 HydrophobicContact CD1-CD2 3.96Å; L518-F554 HydrophobicContact CD1-CE2 3.68Å; L518-F554 HydrophobicContact CD1-CG 4.48Å; L518-F554 HydrophobicContact CD1-CZ 4Å; L518-F554 HydrophobicContact CD2-CB 3.94Å; L518-F554 HydrophobicContact CD2-CD1 4.24Å; L518-F554 HydrophobicContact CD2-CD2 3.86Å; L518-F554 HydrophobicContact CD2-CE2 4.41Å; L518-F554 HydrophobicContact CD2-CG 3.76Å; L538-F554 HydrophobicContact CD1-CD1 4.19Å; L538-F554 HydrophobicContact CD1-CE1 3.72Å; L538-F554 HydrophobicContact CD2-CD1 3.99Å; L538-F554 HydrophobicContact CD2-CE1 4.36Å; H547-F554 HydrophobicContact CB-CE2 3.47Å; H547-F554 VanDerWaalsContact CB-CE2 3.47Å; H547-F554 HydrophobicContact CB-CZ 3.57Å; H547-F554 AromaticContact CG-CZ 3.87Å; V548-F554 WeakPolarHBondContact O-CA 3.32Å; V549-F554 HydrophobicContact CG2-CB 4.32Å; V549-F554 HydrophobicContact CG2-CD2 3.8Å; F554-Y556 AromaticContact CD1-CD1 3.41Å; F554-Y556 HydrophobicContact CD1-CD1 3.41Å; F554-Y556 VanDerWaalsContact CD1-CD1 3.41Å; F554-Y556 AromaticContact CD1-CE1 3.98Å; F554-Y556 HydrophobicContact CD1-CE1 3.98Å; F554-Y556 HydrophobicContact CD1-CG 4.14Å; F554-Y556 AromaticContact CE1-CD1 3.47Å; F554-Y556 HydrophobicContact CE1-CD1 3.47Å; F554-Y556 VanDerWaalsContact CE1-CD1 3.47Å; F554-Y556 HydrophobicContact CE1-CE1 4.21Å; F554-Y556 AromaticContact CE1-CG 3.72Å; F554-Y556 HydrophobicContact CE1-CG 3.72Å; F554-Y556 HydrophobicContact CG-CD1 4.43Å; F554-F567 PolarHBondContact N-O 3.33Å; F554-F567 PolarHBondContact O-N 2.94Å; F554-L569 HydrophobicContact CB-CD2 4Å; F554-L569 HydrophobicContact CB-CG 4.34Å
555	F	98.3	Very high	94.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	122.5	-177.6	-64.8	-102.8	0	0	0	108.9	H547 V548 F550 A553 I565 R566 F598 L605 H629 L632	H547-F555 WeakPolarHBondContact CA-O 3.45Å; H547-F555 WeakPolarHBondContact CB-O 3.33Å; V548-F555 HydrophobicContact CG2-CB 3.85Å; V548-F555 HydrophobicContact CG2-CD2 4.21Å; V548-F555 HydrophobicContact CG2-CG 4.31Å; V548-F555 PolarHBondContact N-O 2.97Å; V548-F555 VanDerWaalsContact N-O 3.14Å; V548-F555 PolarHBondContact O-N 3.46Å; F550-F555 HydrophobicContact CB-CD2 4.23Å; F550-F555 HydrophobicContact CB-CE2 3.78Å; F550-F555 HydrophobicContact CD1-CE2 4.47Å; F550-F555 WeakPolarHBondContact O-CE2 3.49Å; A553-F555 HydrophobicContact CB-CE2 3.93Å; A553-F555 HydrophobicContact CB-CZ 4.4Å; A553-F555 WeakPolarHBondContact O-CD2 3.44Å; F555-I565 VanDerWaalsContact CA-O 3.31Å; F555-I565 WeakPolarHBondContact CA-O 3.31Å; F555-R566 HydrophobicContact CD1-CB 4.12Å; F555-R566 HydrophobicContact CD1-CG 4.23Å; F555-R566 HydrophobicContact CE1-CB 3.92Å; F555-R566 HydrophobicContact CE1-CG 3.65Å; F555-R566 HydrophobicContact CE2-CG 4.46Å; F555-R566 HydrophobicContact CZ-CG 3.81Å; F555-F598 HydrophobicContact CB-CD1 3.97Å; F555-F598 HydrophobicContact CB-CD2 3.96Å; F555-F598 HydrophobicContact CB-CE1 3.93Å; F555-F598 HydrophobicContact CB-CE2 3.93Å; F555-F598 HydrophobicContact CB-CG 3.97Å; F555-F598 HydrophobicContact CB-CZ 3.89Å; F555-F598 AromaticContact CD1-CE1 3.94Å; F555-F598 HydrophobicContact CD1-CE1 3.94Å; F555-F598 HydrophobicContact CD1-CZ 4.23Å; F555-F598 HydrophobicContact CG-CE1 4.34Å; F555-L605 HydrophobicContact CD1-CD1 4.43Å; F555-L605 HydrophobicContact CD1-CD2 3.64Å; F555-L605 HydrophobicContact CE1-CD2 3.3Å; F555-L605 HydrophobicContact CG-CD1 4.44Å; F555-L605 HydrophobicContact CG-CD2 4.41Å; F555-L605 HydrophobicContact CZ-CD2 3.84Å; F555-H629 HydrophobicContact CZ-CB 4.43Å; F555-H629 WeakPolarHBondContact CZ-O 3.48Å; F555-L632 HydrophobicContact CD1-CD2 3.76Å; F555-L632 HydrophobicContact CE1-CD2 3.67Å
556	Y	96.8	Very high	94.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	156.2	-174.2	68.9	-83.9	0	0	0	113.2	L538 Y540 F542 H547 F554 I565 F567	L538-Y556 HydrophobicContact CD1-CE1 4.24Å; L538-Y556 HydrophobicContact CD1-CE2 4.41Å; L538-Y556 HydrophobicContact CD2-CE1 4.28Å; Y540-Y556 PolarHBondContact O-OH 2.94Å; F542-Y556 HydrophobicContact CB-CD2 3.59Å; F542-Y556 HydrophobicContact CB-CE2 4.23Å; F542-Y556 HydrophobicContact CB-CG 4.3Å; H547-Y556 WeakPolarHBondContact ND1-CA 3.41Å; H547-Y556 WeakPolarHBondContact ND1-CB 3.42Å; F554-Y556 AromaticContact CD1-CD1 3.41Å; F554-Y556 HydrophobicContact CD1-CD1 3.41Å; F554-Y556 VanDerWaalsContact CD1-CD1 3.41Å; F554-Y556 AromaticContact CD1-CE1 3.98Å; F554-Y556 HydrophobicContact CD1-CE1 3.98Å; F554-Y556 HydrophobicContact CD1-CG 4.14Å; F554-Y556 AromaticContact CE1-CD1 3.47Å; F554-Y556 HydrophobicContact CE1-CD1 3.47Å; F554-Y556 VanDerWaalsContact CE1-CD1 3.47Å; F554-Y556 HydrophobicContact CE1-CE1 4.21Å; F554-Y556 AromaticContact CE1-CG 3.72Å; F554-Y556 HydrophobicContact CE1-CG 3.72Å; F554-Y556 HydrophobicContact CG-CD1 4.43Å; Y556-I565 HydrophobicContact CD1-CB 4.19Å; Y556-I565 HydrophobicContact CD1-CG2 4.16Å; Y556-I565 HydrophobicContact CE1-CB 3.91Å; Y556-I565 HydrophobicContact CE1-CG2 3.51Å; Y556-I565 HydrophobicContact CE2-CB 4.4Å; Y556-I565 HydrophobicContact CE2-CD1 4.22Å; Y556-I565 PolarHBondContact N-O 3.03Å; Y556-I565 VanDerWaalsContact N-O 3.16Å; Y556-I565 PolarHBondContact O-N 3.35Å; Y556-F567 HydrophobicContact CE1-CB 4.01Å
557	N	95.1	Very high	95.2	Very high	9 Å²	9	25.9 Å²	25.9	5%	0.048	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	126.4	169.9	-174.1	26.5	0	0	0	110.6	F542 T543 D563 V596	F542-N557 VanDerWaalsContact CA-O 3.29Å; F542-N557 WeakPolarHBondContact CA-O 3.43Å; T543-N557 HydrophobicContact CG2-CB 4.43Å; T543-N557 VanDerWaalsContact CG2-ND2 3.28Å; T543-N557 WeakPolarHBondContact CG2-ND2 3.34Å; T543-N557 PolarHBondContact N-O 3.29Å; T543-N557 VanDerWaalsContact N-O 3.16Å; N557-D563 PolarHBondContact OD1-O 3.21Å; N557-V596 HydrophobicContact CB-CB 3.96Å; N557-V596 HydrophobicContact CB-CG1 4.22Å
558	R	94.4	Very high	95.3	Very high	87 Å²	87	27 Å²	27	33%	0.328	13%	0.13	S	C	.	.	B	Isolated β-bridge	trans	-76.7	124.1	178.5	175.4	-168.1	177.1	-156.1	-3.2	109.9	S561 D563 I565	R558-S561 VanDerWaalsContact CB-OG 3.31Å; R558-S561 WeakPolarHBondContact CB-OG 3.42Å; R558-S561 WeakPolarHBondContact CD-OG 3.24Å; R558-S561 WeakPolarHBondContact CG-OG 3.3Å; R558-S561 PolarHBondContact O-N 3.29Å; R558-S561 PolarHBondContact O-OG 3.33Å; R558-D563 HydrophobicContact CB-CB 4.17Å; R558-D563 VanDerWaalsContact CB-O 3.23Å; R558-D563 WeakPolarHBondContact CB-O 3.04Å; R558-D563 IonicContact CZ-OD2 3.95Å; R558-D563 PolarHBondContact N-O 3.1Å; R558-D563 IonicContact NH1-OD2 2.84Å; R558-D563 PolarHBondContact NH1-OD2 3.13Å; R558-I565 HydrophobicContact CB-CD1 3.85Å; R558-I565 HydrophobicContact CB-CG1 4.3Å; R558-I565 HydrophobicContact CG-CD1 4.21Å
559	A	91	Very high	95.3	Very high	10 Å²	10	26.9 Å²	26.9	8%	0.083	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	144.1	-178.3	0	0	0	0	0	113.2	Y514 D541 T543 S561	Y514-A559 HydrophobicContact CD2-CB 4.15Å; Y514-A559 HydrophobicContact CE2-CB 3.54Å; D541-A559 HydrophobicContact CB-CB 4.27Å; D541-A559 PolarHBondContact O-N 2.98Å; T543-A559 HydrophobicContact CG2-CB 4.46Å; A559-S561 PolarHBondContact O-N 3.29Å
560	F	85.1	Confident	95.1	Very high	150 Å²	150	37.9 Å²	37.9	66%	0.658	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	28.4	-179.2	-45.1	-65	0	0	0	114.7	Y514	Y514-F560 HydrophobicContact CE2-CD2 4.42Å; Y514-F560 AromaticContact CE2-CE2 3.53Å; Y514-F560 HydrophobicContact CE2-CE2 3.53Å; Y514-F560 AromaticContact CE2-CZ 3.72Å; Y514-F560 HydrophobicContact CE2-CZ 3.72Å; Y514-F560 AromaticContact CZ-CE2 3.96Å
561	S	89.5	Confident	95.1	Very high	18 Å²	18	46.1 Å²	46.1	13%	0.126	20%	0.202	C	C	.	.	S	Bend	trans	-145.7	174	-179.5	79.7	0	0	0	0	112.1	R558 A559 D563	R558-S561 VanDerWaalsContact CB-OG 3.31Å; R558-S561 WeakPolarHBondContact CB-OG 3.42Å; R558-S561 WeakPolarHBondContact CD-OG 3.24Å; R558-S561 WeakPolarHBondContact CG-OG 3.3Å; R558-S561 PolarHBondContact O-N 3.29Å; R558-S561 PolarHBondContact O-OG 3.33Å; A559-S561 PolarHBondContact O-N 3.29Å; S561-D563 PolarHBondContact OG-N 3.3Å; S561-D563 VanDerWaalsContact OG-N 3.09Å
562	R	90.8	Very high	95.1	Very high	107 Å²	107	49.3 Å²	49.3	40%	0.404	21%	0.209	S	C	.	.	S	Bend	trans	-96.3	11.8	167.9	-67.7	175.5	-170.3	-177.2	1.9	112	T579 L580 H581 A583 L585	R562-T579 HydrophobicContact CB-CG2 3.76Å; R562-T579 WeakPolarHBondContact O-CA 2.91Å; R562-L580 HydrophobicContact CB-CB 4.49Å; R562-L580 WeakPolarHBondContact CB-O 3.28Å; R562-L580 VanDerWaalsContact CD-O 3.24Å; R562-L580 WeakPolarHBondContact CD-O 3.4Å; R562-L580 PolarHBondContact O-N 3.4Å; R562-H581 PolarHBondContact NH1-O 3.11Å; R562-A583 HydrophobicContact CG-CB 4.31Å; R562-A583 PolarHBondContact NE-O 2.68Å; R562-L585 HydrophobicContact CB-CD1 4.45Å; R562-L585 HydrophobicContact CG-CD1 3.32Å
563	D	94.5	Very high	95.2	Very high	19 Å²	19	53.1 Å²	53.1	10%	0.102	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	126.7	-171.9	-53.1	-34.8	0	0	0	111.7	N557 R558 S561 W577 T578 T579	N557-D563 PolarHBondContact OD1-O 3.21Å; R558-D563 HydrophobicContact CB-CB 4.17Å; R558-D563 VanDerWaalsContact CB-O 3.23Å; R558-D563 WeakPolarHBondContact CB-O 3.04Å; R558-D563 IonicContact CZ-OD2 3.95Å; R558-D563 PolarHBondContact N-O 3.1Å; R558-D563 IonicContact NH1-OD2 2.84Å; R558-D563 PolarHBondContact NH1-OD2 3.13Å; S561-D563 PolarHBondContact OG-N 3.3Å; S561-D563 VanDerWaalsContact OG-N 3.09Å; D563-W577 HydrophobicContact CB-CE3 4.46Å; D563-T578 WeakPolarHBondContact CA-O 3.04Å; D563-T579 WeakPolarHBondContact OD1-CB 3.44Å; D563-T579 WeakPolarHBondContact OD1-CG2 3.35Å; D563-T579 PolarHBondContact OD1-OG1 2.96Å
564	V	96.8	Very high	95.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.7	169.7	-65.3	0	0	0	0	110.5	W577 T578 L580 V596 F598 L607 L632	V564-W577 VanDerWaalsContact O-CA 3.23Å; V564-W577 WeakPolarHBondContact O-CA 3.43Å; V564-T578 HydrophobicContact CG2-CG2 3.55Å; V564-T578 PolarHBondContact N-O 3.01Å; V564-T578 PolarHBondContact O-N 3.47Å; V564-L580 HydrophobicContact CG1-CD1 3.86Å; V564-L580 HydrophobicContact CG1-CG 4.27Å; V564-L580 HydrophobicContact CG2-CD2 4.25Å; V564-L580 HydrophobicContact CG2-CG 4.48Å; V564-V596 HydrophobicContact CG1-CG1 3.66Å; V564-F598 HydrophobicContact CB-CE2 4.01Å; V564-F598 HydrophobicContact CB-CZ 3.81Å; V564-F598 HydrophobicContact CG1-CE2 4.19Å; V564-F598 HydrophobicContact CG1-CZ 4.33Å; V564-F598 HydrophobicContact CG2-CZ 4.28Å; V564-L607 HydrophobicContact CG1-CD1 4.44Å; V564-L607 HydrophobicContact CG1-CD2 4.29Å; V564-L607 HydrophobicContact CG2-CD2 4.24Å; V564-L632 HydrophobicContact CG2-CD1 4.36Å; V564-L632 WeakPolarHBondContact O-CD1 3.33Å
565	I	97.9	Very high	95.1	Very high	3 Å²	3	56.5 Å²	56.5	2%	0.015	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	136.3	-164.5	-67.4	-173.1	0	0	0	111.5	Y540 F555 Y556 R558 F567 V574 W577	Y540-I565 HydrophobicContact CD2-CD1 3.56Å; Y540-I565 HydrophobicContact CE2-CD1 4.24Å; Y540-I565 HydrophobicContact CG-CD1 4.26Å; F555-I565 VanDerWaalsContact CA-O 3.31Å; F555-I565 WeakPolarHBondContact CA-O 3.31Å; Y556-I565 HydrophobicContact CD1-CB 4.19Å; Y556-I565 HydrophobicContact CD1-CG2 4.16Å; Y556-I565 HydrophobicContact CE1-CB 3.91Å; Y556-I565 HydrophobicContact CE1-CG2 3.51Å; Y556-I565 HydrophobicContact CE2-CB 4.4Å; Y556-I565 HydrophobicContact CE2-CD1 4.22Å; Y556-I565 PolarHBondContact N-O 3.03Å; Y556-I565 VanDerWaalsContact N-O 3.16Å; Y556-I565 PolarHBondContact O-N 3.35Å; R558-I565 HydrophobicContact CB-CD1 3.85Å; R558-I565 HydrophobicContact CB-CG1 4.3Å; R558-I565 HydrophobicContact CG-CD1 4.21Å; I565-F567 HydrophobicContact CG2-CB 4.43Å; I565-V574 HydrophobicContact CG2-CB 4.43Å; I565-V574 HydrophobicContact CG2-CG1 3.99Å; I565-V574 HydrophobicContact CG2-CG2 3.74Å; I565-W577 HydrophobicContact CG1-CB 4.24Å
566	R	98.2	Very high	95.1	Very high	24 Å²	24	57.2 Å²	57.2	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	98.5	167.9	179.9	-163.6	154.2	72.9	19.5	110.1	A553 F555 S575 A576 H629 R630 L632	A553-R566 HydrophobicContact CB-CG 3.96Å; A553-R566 VanDerWaalsContact CB-CZ 3.49Å; F555-R566 HydrophobicContact CD1-CB 4.12Å; F555-R566 HydrophobicContact CD1-CG 4.23Å; F555-R566 HydrophobicContact CE1-CB 3.92Å; F555-R566 HydrophobicContact CE1-CG 3.65Å; F555-R566 HydrophobicContact CE2-CG 4.46Å; F555-R566 HydrophobicContact CZ-CG 3.81Å; R566-S575 VanDerWaalsContact CD-OG 3.31Å; R566-S575 WeakPolarHBondContact CD-OG 3.38Å; R566-S575 WeakPolarHBondContact CG-OG 3.37Å; R566-S575 PolarHBondContact NE-OG 2.86Å; R566-S575 PolarHBondContact O-N 2.88Å; R566-S575 PolarHBondContact O-OG 2.86Å; R566-A576 HydrophobicContact CB-CB 4.17Å; R566-A576 PolarHBondContact N-O 3.33Å; R566-A576 PolarHBondContact O-N 3.03Å; R566-H629 WeakPolarHBondContact CD-O 3.17Å; R566-H629 PolarHBondContact NH1-O 2.9Å; R566-R630 VanDerWaalsContact CD-O 3.31Å; R566-R630 WeakPolarHBondContact CD-O 3.32Å; R566-L632 HydrophobicContact CB-CD1 4.1Å; R566-L632 HydrophobicContact CB-CD2 4.35Å; R566-L632 HydrophobicContact CB-CG 4.32Å
567	F	98.4	Very high	95.1	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.009	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	119.3	177.9	-179.8	-102	0	0	0	111.5	L538 P539 A553 F554 Y556 I565 L569 R572 Y573 V574	L538-F567 HydrophobicContact CD2-CD1 3.71Å; L538-F567 HydrophobicContact CD2-CE1 3.86Å; L538-F567 HydrophobicContact CD2-CG 4.1Å; L538-F567 HydrophobicContact CD2-CZ 4.37Å; P539-F567 VanDerWaalsContact CD-CE2 3.48Å; P539-F567 HydrophobicContact CG-CD2 4.19Å; P539-F567 HydrophobicContact CG-CE2 3.84Å; A553-F567 CarbonylContact C-O 3.47Å; A553-F567 WeakPolarHBondContact CA-O 3.47Å; A553-F567 WeakPolarHBondContact CB-O 3.38Å; F554-F567 PolarHBondContact N-O 3.33Å; F554-F567 PolarHBondContact O-N 2.94Å; Y556-F567 HydrophobicContact CE1-CB 4.01Å; I565-F567 HydrophobicContact CG2-CB 4.43Å; F567-L569 HydrophobicContact CD1-CD2 3.91Å; F567-L569 HydrophobicContact CE1-CD2 4.06Å; F567-L569 PolarHBondContact O-N 3.39Å; F567-R572 VanDerWaalsContact CE2-C 3.41Å; F567-R572 HydrophobicContact CZ-CB 4.19Å; F567-Y573 WeakPolarHBondContact CA-O 3.22Å; F567-Y573 VanDerWaalsContact CD2-C 3.42Å; F567-Y573 WeakPolarHBondContact CD2-O 3.34Å; F567-V574 HydrophobicContact CD2-CG2 4.38Å
568	D	97.6	Very high	95.2	Very high	23 Å²	23	65.8 Å²	65.8	12%	0.123	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	116.2	178.1	-177.2	-48.5	0	0	0	109.7	R570 R571 R572 Y573	D568-R570 WeakPolarHBondContact OD1-CA 3.4Å; D568-R570 WeakPolarHBondContact OD1-CB 3.43Å; D568-R570 PolarHBondContact OD1-N 2.99Å; D568-R571 HydrophobicContact CB-CB 4.24Å; D568-R571 WeakPolarHBondContact OD1-CB 3.49Å; D568-R571 PolarHBondContact OD1-N 3.22Å; D568-R571 WeakPolarHBondContact OD2-CD 3.35Å; D568-R572 WeakPolarHBondContact O-CA 2.99Å; D568-R572 PolarHBondContact O-N 2.84Å; D568-Y573 HydrophobicContact CB-CD1 4.02Å; D568-Y573 HydrophobicContact CB-CE1 3.81Å; D568-Y573 PolarHBondContact N-O 3.1Å
569	L	96.1	Very high	95.2	Very high	5 Å²	5	63.5 Å²	63.5	3%	0.026	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-31.4	-175.6	-64	172.4	0	0	0	112.4	Y508 L518 Y536 V549 G552 F554 F567 R572	Y508-L569 HydrophobicContact CE1-CD1 3.96Å; L518-L569 HydrophobicContact CD2-CD1 4.41Å; L518-L569 HydrophobicContact CD2-CD2 3.63Å; Y536-L569 HydrophobicContact CD1-CD2 4.19Å; Y536-L569 HydrophobicContact CD2-CD2 4.07Å; Y536-L569 HydrophobicContact CE1-CB 4.18Å; Y536-L569 HydrophobicContact CE1-CD2 4.32Å; Y536-L569 WeakPolarHBondContact CE1-O 3.4Å; Y536-L569 HydrophobicContact CE2-CD2 4.2Å; Y536-L569 HydrophobicContact CG-CD2 4.05Å; V549-L569 HydrophobicContact CG1-CD1 3.82Å; V549-L569 HydrophobicContact CG2-CD1 4.27Å; G552-L569 WeakPolarHBondContact O-CB 3.32Å; G552-L569 PolarHBondContact O-N 3.22Å; F554-L569 HydrophobicContact CB-CD2 4Å; F554-L569 HydrophobicContact CB-CG 4.34Å; F567-L569 HydrophobicContact CD1-CD2 3.91Å; F567-L569 HydrophobicContact CE1-CD2 4.06Å; F567-L569 PolarHBondContact O-N 3.39Å; L569-R572 WeakPolarHBondContact O-CG 3.23Å
570	R	94.3	Very high	95.3	Very high	233 Å²	233	63.6 Å²	63.6	88%	0.879	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-39.2	-179.5	179.8	178.8	173.9	-176.8	-1	111.8	D568	D568-R570 WeakPolarHBondContact OD1-CA 3.4Å; D568-R570 WeakPolarHBondContact OD1-CB 3.43Å; D568-R570 PolarHBondContact OD1-N 2.99Å
571	R	95.4	Very high	95.6	Very high	181 Å²	181	63.5 Å²	63.5	68%	0.683	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-13.8	-177.8	-65.8	174.3	174.7	-103	6.5	113.2	D568 Y573	D568-R571 HydrophobicContact CB-CB 4.24Å; D568-R571 WeakPolarHBondContact OD1-CB 3.49Å; D568-R571 PolarHBondContact OD1-N 3.22Å; D568-R571 WeakPolarHBondContact OD2-CD 3.35Å; R571-Y573 HydrophobicContact CB-CD1 3.46Å; R571-Y573 VanDerWaalsContact CB-CD1 3.46Å; R571-Y573 HydrophobicContact CB-CE1 3.57Å; R571-Y573 HydrophobicContact CG-CE1 4.24Å
572	R	96.3	Very high	95.6	Very high	136 Å²	136	65.1 Å²	65.1	51%	0.513	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	45.9	176.8	-57	-176.4	175.3	-148.9	-9	114.1	N534 Y536 F567 D568 L569	N534-R572 PolarHBondContact ND2-NH2 2.02Å; N534-R572 PolarHBondContact OD1-NH2 2.83Å; Y536-R572 HydrophobicContact CD1-CG 4.21Å; Y536-R572 HydrophobicContact CE1-CG 4.35Å; F567-R572 VanDerWaalsContact CE2-C 3.41Å; F567-R572 HydrophobicContact CZ-CB 4.19Å; D568-R572 WeakPolarHBondContact O-CA 2.99Å; D568-R572 PolarHBondContact O-N 2.84Å; L569-R572 WeakPolarHBondContact O-CG 3.23Å
573	Y	96	Very high	95.6	Very high	109 Å²	109	60.3 Å²	60.3	43%	0.427	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	160.5	178.3	83.1	-60	0	0	0	112.1	F567 D568 R571 S575	F567-Y573 WeakPolarHBondContact CA-O 3.22Å; F567-Y573 VanDerWaalsContact CD2-C 3.42Å; F567-Y573 WeakPolarHBondContact CD2-O 3.34Å; D568-Y573 HydrophobicContact CB-CD1 4.02Å; D568-Y573 HydrophobicContact CB-CE1 3.81Å; D568-Y573 PolarHBondContact N-O 3.1Å; R571-Y573 HydrophobicContact CB-CD1 3.46Å; R571-Y573 VanDerWaalsContact CB-CD1 3.46Å; R571-Y573 HydrophobicContact CB-CE1 3.57Å; R571-Y573 HydrophobicContact CG-CE1 4.24Å; Y573-S575 PolarHBondContact O-N 2.83Å
574	V	97.8	Very high	95.2	Very high	36 Å²	36	61.3 Å²	61.3	22%	0.218	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	114.2	169.9	173.5	0	0	0	0	108.8	P539 Y540 I565 F567 A576 W577	P539-V574 HydrophobicContact CG-CG2 4.23Å; Y540-V574 HydrophobicContact CD2-CG2 4.33Å; Y540-V574 HydrophobicContact CE2-CG2 4.15Å; I565-V574 HydrophobicContact CG2-CB 4.43Å; I565-V574 HydrophobicContact CG2-CG1 3.99Å; I565-V574 HydrophobicContact CG2-CG2 3.74Å; F567-V574 HydrophobicContact CD2-CG2 4.38Å; V574-A576 WeakPolarHBondContact CG1-O 3.5Å; V574-W577 HydrophobicContact CG1-CB 4.36Å
575	S	97.3	Very high	94.1	Very high	35 Å²	35	65.5 Å²	65.5	25%	0.245	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	-26.3	-175.7	64.1	0	0	0	0	113.6	R566 Y573	R566-S575 VanDerWaalsContact CD-OG 3.31Å; R566-S575 WeakPolarHBondContact CD-OG 3.38Å; R566-S575 WeakPolarHBondContact CG-OG 3.37Å; R566-S575 PolarHBondContact NE-OG 2.86Å; R566-S575 PolarHBondContact O-N 2.88Å; R566-S575 PolarHBondContact O-OG 2.86Å; Y573-S575 PolarHBondContact O-N 2.83Å
576	A	97.6	Very high	92.6	Very high	14 Å²	14	69.6 Å²	69.6	12%	0.116	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	158.5	167	0	0	0	0	0	109.6	R566 V574 R630 L632	R566-A576 HydrophobicContact CB-CB 4.17Å; R566-A576 PolarHBondContact N-O 3.33Å; R566-A576 PolarHBondContact O-N 3.03Å; V574-A576 WeakPolarHBondContact CG1-O 3.5Å; A576-R630 WeakPolarHBondContact CB-O 3.44Å; A576-L632 HydrophobicContact CB-CD1 4.47Å; A576-L632 HydrophobicContact CB-CG 4.41Å
577	W	97.2	Very high	90.4	Very high	155 Å²	155	76.7 Å²	76.7	59%	0.587	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-150.9	156.8	170.7	65.1	-77.8	0	0	0	108.9	D563 V564 I565 V574 T579	D563-W577 HydrophobicContact CB-CE3 4.46Å; V564-W577 VanDerWaalsContact O-CA 3.23Å; V564-W577 WeakPolarHBondContact O-CA 3.43Å; I565-W577 HydrophobicContact CG1-CB 4.24Å; V574-W577 HydrophobicContact CG1-CB 4.36Å; W577-T579 WeakPolarHBondContact CZ3-OG1 3.44Å
578	T	96.3	Very high	88	Confident	35 Å²	35	84.3 Å²	84.3	22%	0.215	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	154.9	171.6	-171	0	0	0	0	110.4	D563 V564 L632	D563-T578 WeakPolarHBondContact CA-O 3.04Å; V564-T578 HydrophobicContact CG2-CG2 3.55Å; V564-T578 PolarHBondContact N-O 3.01Å; V564-T578 PolarHBondContact O-N 3.47Å; T578-L632 HydrophobicContact CG2-CB 3.64Å; T578-L632 HydrophobicContact CG2-CD1 4.33Å
579	T	95	Very high	85.2	Confident	38 Å²	38	88.6 Å²	88.6	23%	0.233	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	125.7	-177.8	-52.3	0	0	0	0	110.6	R562 D563 W577 H581	R562-T579 HydrophobicContact CB-CG2 3.76Å; R562-T579 WeakPolarHBondContact O-CA 2.91Å; D563-T579 WeakPolarHBondContact OD1-CB 3.44Å; D563-T579 WeakPolarHBondContact OD1-CG2 3.35Å; D563-T579 PolarHBondContact OD1-OG1 2.96Å; W577-T579 WeakPolarHBondContact CZ3-OG1 3.44Å; T579-H581 PolarHBondContact O-CE1 3.4Å; T579-H581 PolarHBondContact O-N 2.64Å; T579-H581 VanDerWaalsContact O-N 3.11Å; T579-H581 PolarHBondContact O-ND1 3.28Å
580	L	93.5	Very high	82.6	Confident	13 Å²	13	94.2 Å²	94.2	7%	0.068	43%	0.434	C	S	.	.			trans	-81.5	82.2	176.1	-51.3	178.1	0	0	0	109.4	R562 V564 D582 A583 V596 L607 Y609	R562-L580 HydrophobicContact CB-CB 4.49Å; R562-L580 WeakPolarHBondContact CB-O 3.28Å; R562-L580 VanDerWaalsContact CD-O 3.24Å; R562-L580 WeakPolarHBondContact CD-O 3.4Å; R562-L580 PolarHBondContact O-N 3.4Å; V564-L580 HydrophobicContact CG1-CD1 3.86Å; V564-L580 HydrophobicContact CG1-CG 4.27Å; V564-L580 HydrophobicContact CG2-CD2 4.25Å; V564-L580 HydrophobicContact CG2-CG 4.48Å; L580-D582 PolarHBondContact O-N 3.43Å; L580-D582 VanDerWaalsContact O-N 3.15Å; L580-A583 HydrophobicContact CB-CB 3.59Å; L580-A583 HydrophobicContact CD1-CB 4.34Å; L580-A583 VanDerWaalsContact O-CB 3.3Å; L580-A583 WeakPolarHBondContact O-CB 3.38Å; L580-A583 PolarHBondContact O-N 3.11Å; L580-V596 HydrophobicContact CD1-CG1 3.99Å; L580-V596 HydrophobicContact CD1-CG2 3.94Å; L580-L607 HydrophobicContact CD1-CD2 3.98Å; L580-L607 HydrophobicContact CD2-CD2 3.71Å; L580-L607 HydrophobicContact CG-CD2 4.45Å; L580-Y609 HydrophobicContact CB-CE2 4.02Å; L580-Y609 HydrophobicContact CD1-CD1 3.98Å; L580-Y609 HydrophobicContact CD1-CD2 4.04Å; L580-Y609 HydrophobicContact CD1-CE1 4.15Å; L580-Y609 HydrophobicContact CD1-CE2 4.2Å; L580-Y609 HydrophobicContact CD1-CG 3.91Å; L580-Y609 HydrophobicContact CD2-CE1 4.05Å
581	H	90.8	Very high	80.4	Confident	148 Å²	148	93.5 Å²	93.5	69%	0.685	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-32.6	-166.6	-70.8	71.5	0	0	0	113.9	R562 T579	R562-H581 PolarHBondContact NH1-O 3.11Å; T579-H581 PolarHBondContact O-CE1 3.4Å; T579-H581 PolarHBondContact O-N 2.64Å; T579-H581 VanDerWaalsContact O-N 3.11Å; T579-H581 PolarHBondContact O-ND1 3.28Å
582	D	90.8	Very high	78.1	Confident	52 Å²	52	88 Å²	88	28%	0.278	42%	0.417	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.6	179.7	60.3	-29.6	0	0	0	114.5	L580 Y609 A611 L612 L623	L580-D582 PolarHBondContact O-N 3.43Å; L580-D582 VanDerWaalsContact O-N 3.15Å; D582-Y609 PolarHBondContact OD1-OH 2.03Å; D582-Y609 VanDerWaalsContact OD1-OH 3.09Å; D582-Y609 PolarHBondContact OD2-OH 3.46Å; D582-A611 HydrophobicContact CB-CB 4.33Å; D582-A611 WeakPolarHBondContact O-CA 2.98Å; D582-A611 WeakPolarHBondContact OD2-CB 2.72Å; D582-L612 PolarHBondContact O-N 3.27Å; D582-L623 VanDerWaalsContact OD2-CD1 3.31Å; D582-L623 WeakPolarHBondContact OD2-CD1 3.4Å
583	A	90.3	Very high	76	Confident	5 Å²	5	83.1 Å²	83.1	4%	0.041	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-66.1	139	-176.1	0	0	0	0	0	113.4	R562 L580 Y609 P610	R562-A583 HydrophobicContact CG-CB 4.31Å; R562-A583 PolarHBondContact NE-O 2.68Å; L580-A583 HydrophobicContact CB-CB 3.59Å; L580-A583 HydrophobicContact CD1-CB 4.34Å; L580-A583 VanDerWaalsContact O-CB 3.3Å; L580-A583 WeakPolarHBondContact O-CB 3.38Å; L580-A583 PolarHBondContact O-N 3.11Å; A583-Y609 HydrophobicContact CB-CD2 3.6Å; A583-Y609 HydrophobicContact CB-CE2 3.79Å; A583-P610 WeakPolarHBondContact CA-O 3.42Å
584	I	86.1	Confident	74	Confident	40 Å²	40	78.9 Å²	78.9	21%	0.205	39%	0.386	C	S	.	.			trans	-86.4	114.9	175.9	-59	168.5	0	0	0	108.5	P610 L612 E620	I584-P610 HydrophobicContact CB-CB 4.45Å; I584-P610 PolarHBondContact N-O 2.67Å; I584-L612 HydrophobicContact CD1-CD2 3.84Å; I584-L612 HydrophobicContact CD1-CG 4.11Å; I584-L612 HydrophobicContact CG1-CD2 4.11Å; I584-L612 HydrophobicContact CG1-CG 3.88Å; I584-E620 HydrophobicContact CD1-CB 4.11Å; I584-E620 HydrophobicContact CD1-CG 3.87Å
585	L	72.6	Confident	73	Confident	89 Å²	89	81 Å²	81	47%	0.466	39%	0.393	S	S	.	.			trans	-86.2	135.8	161.6	-89.3	66.6	0	0	0	108.2	R562	R562-L585 HydrophobicContact CB-CD1 4.45Å; R562-L585 HydrophobicContact CG-CD1 3.32Å
586	E	66.7	Low	72.7	Confident	89 Å²	89	80 Å²	80	42%	0.416	39%	0.386	S	S	.	.			trans	-111.6	136.7	175.1	-171.1	161.9	154	0	0	111.3	Q588 H590 R644	E586-Q588 PolarHBondContact O-N 3.38Å; E586-Q588 VanDerWaalsContact O-N 3.12Å; E586-H590 IonicContact OE1-CD2 3.47Å; E586-H590 IonicContact OE1-CG 3.46Å; E586-R644 IonicContact OE2-CZ 3.51Å; E586-R644 VanDerWaalsContact OE2-CZ 3.32Å; E586-R644 IonicContact OE2-NH1 3.36Å; E586-R644 PolarHBondContact OE2-NH1 3.22Å; E586-R644 IonicContact OE2-NH2 3.97Å; E586-R644 PolarHBondContact OE2-NH2 3.42Å
587	E	52.7	Low	72.5	Confident	172 Å²	172	80.2 Å²	80.2	80%	0.804	38%	0.384	S	S	*	.			trans	-89	80.6	-171.3	-167.8	169.3	-165.2	0	0	111.9	T589	E587-T589 PolarHBondContact O-N 2.81Å; E587-T589 PolarHBondContact O-OG1 3.44Å
588	Q	47.9	Very low	72.5	Confident	163 Å²	163	72.9 Å²	72.9	76%	0.762	36%	0.356	S	S	*	.	S	Bend	trans	55.3	-11.5	161.7	-59.9	-169.7	-0.3	0	0	119.7	E586	E586-Q588 PolarHBondContact O-N 3.38Å; E586-Q588 VanDerWaalsContact O-N 3.12Å
589	T	39.1	Very low	72.5	Confident	113 Å²	113	71.7 Å²	71.7	69%	0.693	35%	0.35	S	S	*	.	S	Bend	trans	-85.1	-23.9	-162.2	-55.5	0	0	0	0	113	E587	E587-T589 PolarHBondContact O-N 2.81Å; E587-T589 PolarHBondContact O-OG1 3.44Å
590	H	40.3	Very low	72.6	Confident	123 Å²	123	69.9 Å²	69.9	57%	0.569	34%	0.339	S	S	*	.			trans	-126.1	110.5	177.4	-58.3	-45.6	0	0	0	110.6	E586 T592	E586-H590 IonicContact OE1-CD2 3.47Å; E586-H590 IonicContact OE1-CG 3.46Å; H590-T592 PolarHBondContact O-N 3.09Å
591	R	49.4	Very low	72.6	Confident	218 Å²	218	69.6 Å²	69.6	82%	0.823	34%	0.338	S	S	*	.			trans	-76.4	55.6	175.4	-67.3	-174.6	176.4	-165.4	-2	111.4
592	T	45.7	Very low	72.7	Confident	64 Å²	64	64.7 Å²	64.7	39%	0.393	32%	0.315	S	S	.	.			trans	-130.4	105.5	-170.3	49.4	0	0	0	0	113.2	H590	H590-T592 PolarHBondContact O-N 3.09Å
593	Q	53.3	Low	72.7	Confident	35 Å²	35	64.8 Å²	64.8	16%	0.164	32%	0.32	C	S	.	.	S	Bend	trans	75.4	98.3	133.6	-62.8	167.9	-4.5	0	0	115.4	Y647 M663	Q593-Y647 WeakPolarHBondContact CB-O 3.41Å; Q593-Y647 WeakPolarHBondContact CG-O 3.26Å; Q593-Y647 PolarHBondContact OE1-O 2.9Å; Q593-Y647 VanDerWaalsContact OE1-O 3.07Å; Q593-M663 HydrophobicContact CG-CE 4.12Å; Q593-M663 HydrophobicContact CG-SD 3.57Å; Q593-M663 VanDerWaalsContact CG-SD 3.57Å
594	T	54.8	Low	72.9	Confident	20 Å²	20	65.3 Å²	65.3	12%	0.123	33%	0.326	C	S	.	.			trans	53.7	93.3	-173.3	45.8	0	0	0	0	115	E597 L608 Y647 T650	T594-E597 WeakPolarHBondContact CG2-OE2 3.27Å; T594-L608 HydrophobicContact CG2-CD2 4.12Å; T594-Y647 HydrophobicContact CG2-CE2 3.72Å; T594-Y647 PolarHBondContact OG1-OH 3.07Å; T594-T650 HydrophobicContact CG2-CG2 4.22Å
595	E	75.8	Confident	73.4	Confident	80 Å²	80	63.5 Å²	63.5	37%	0.374	32%	0.316	S	S	.	.	S	Bend	trans	-65.2	-169.2	138	-57.1	-160.6	155	0	0	109.8	H513 T543 G544 E597	H513-E595 IonicContact CE1-OE1 2.64Å; H513-E595 PolarHBondContact CE1-OE1 2.95Å; H513-E595 IonicContact CE1-OE2 3.15Å; T543-E595 WeakPolarHBondContact CB-OE2 3.4Å; T543-E595 WeakPolarHBondContact CG2-OE2 3.35Å; T543-E595 PolarHBondContact OG1-OE1 2.84Å; T543-E595 PolarHBondContact OG1-OE2 3.45Å; G544-E595 VanDerWaalsContact CA-OE2 3.29Å; G544-E595 WeakPolarHBondContact CA-OE2 3.46Å; G544-E595 PolarHBondContact N-OE2 2.97Å; G544-E595 VanDerWaalsContact N-OE2 3.08Å; E595-E597 PolarHBondContact O-N 3.35Å
596	V	90.8	Very high	74.6	Confident	14 Å²	14	59.4 Å²	59.4	9%	0.085	30%	0.295	C	S	.	.	S	Bend	trans	-59.9	117.5	172.7	179.9	0	0	0	0	110.6	N557 V564 L580 L607	N557-V596 HydrophobicContact CB-CB 3.96Å; N557-V596 HydrophobicContact CB-CG1 4.22Å; V564-V596 HydrophobicContact CG1-CG1 3.66Å; L580-V596 HydrophobicContact CD1-CG1 3.99Å; L580-V596 HydrophobicContact CD1-CG2 3.94Å; V596-L607 HydrophobicContact CG1-CD1 3.5Å; V596-L607 VanDerWaalsContact CG1-CD1 3.5Å; V596-L607 HydrophobicContact CG1-CG 4.25Å
597	E	93.4	Very high	76.1	Confident	18 Å²	18	55.2 Å²	55.2	8%	0.084	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	119.1	-176.2	-178.3	-173.9	170.4	0	0	111.2	T594 E595 L607 L608 T650	T594-E597 WeakPolarHBondContact CG2-OE2 3.27Å; E595-E597 PolarHBondContact O-N 3.35Å; E597-L607 CarbonylContact O-C 3.56Å; E597-L607 WeakPolarHBondContact O-CA 3.34Å; E597-L608 HydrophobicContact CB-CB 4.38Å; E597-L608 PolarHBondContact N-O 3.48Å; E597-L608 PolarHBondContact O-N 3.44Å; E597-T650 VanDerWaalsContact CD-OG1 3.26Å; E597-T650 PolarHBondContact OE1-OG1 3.1Å; E597-T650 PolarHBondContact OE2-OG1 2.98Å
598	F	97.1	Very high	78.1	Confident	1 Å²	1	47.2 Å²	47.2	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	141	166.2	-78.6	-84.6	0	0	0	111.2	G546 V548 F555 V564 L605 W606 L607 L627 L632	G546-F598 PolarHBondContact O-N 2.82Å; V548-F598 HydrophobicContact CB-CB 4.4Å; V548-F598 HydrophobicContact CG1-CB 3.99Å; V548-F598 VanDerWaalsContact CG1-O 3.32Å; V548-F598 WeakPolarHBondContact CG1-O 3.39Å; V548-F598 HydrophobicContact CG2-CB 3.66Å; V548-F598 HydrophobicContact CG2-CG 4.3Å; F555-F598 HydrophobicContact CB-CD1 3.97Å; F555-F598 HydrophobicContact CB-CD2 3.96Å; F555-F598 HydrophobicContact CB-CE1 3.93Å; F555-F598 HydrophobicContact CB-CE2 3.93Å; F555-F598 HydrophobicContact CB-CG 3.97Å; F555-F598 HydrophobicContact CB-CZ 3.89Å; F555-F598 AromaticContact CD1-CE1 3.94Å; F555-F598 HydrophobicContact CD1-CE1 3.94Å; F555-F598 HydrophobicContact CD1-CZ 4.23Å; F555-F598 HydrophobicContact CG-CE1 4.34Å; V564-F598 HydrophobicContact CB-CE2 4.01Å; V564-F598 HydrophobicContact CB-CZ 3.81Å; V564-F598 HydrophobicContact CG1-CE2 4.19Å; V564-F598 HydrophobicContact CG1-CZ 4.33Å; V564-F598 HydrophobicContact CG2-CZ 4.28Å; F598-L605 HydrophobicContact CD1-CD1 3.89Å; F598-L605 HydrophobicContact CD1-CD2 4.44Å; F598-L605 HydrophobicContact CD1-CG 4.26Å; F598-L605 HydrophobicContact CE1-CD1 4.48Å; F598-L605 HydrophobicContact CE1-CD2 4.24Å; F598-W606 WeakPolarHBondContact CA-O 3.35Å; F598-L607 HydrophobicContact CD1-CD1 3.79Å; F598-L607 HydrophobicContact CD2-CD1 3.88Å; F598-L607 HydrophobicContact CE1-CD1 3.84Å; F598-L607 HydrophobicContact CE2-CD1 3.91Å; F598-L607 HydrophobicContact CG-CD1 3.83Å; F598-L607 HydrophobicContact CZ-CD1 3.91Å; F598-L627 HydrophobicContact CE1-CD1 3.91Å; F598-L632 HydrophobicContact CE1-CD2 4.45Å
599	A	96.8	Very high	80.3	Confident	10 Å²	10	39.9 Å²	39.9	8%	0.083	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	159.2	171.2	0	0	0	0	0	111.4	W606 L652	A599-W606 HydrophobicContact CB-CB 4.31Å; A599-W606 PolarHBondContact N-O 2.99Å; A599-W606 PolarHBondContact O-N 3.43Å; A599-L652 HydrophobicContact CB-CB 3.97Å
600	V	96.6	Very high	82.8	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	135.6	176.7	-176.1	0	0	0	0	109.6	A500 V548 F550 G604 L605 P702	A500-V600 HydrophobicContact CB-CB 3.93Å; A500-V600 HydrophobicContact CB-CG1 3.63Å; A500-V600 HydrophobicContact CB-CG2 4.26Å; V548-V600 HydrophobicContact CB-CG2 4.1Å; V548-V600 HydrophobicContact CG1-CG2 4.28Å; V548-V600 HydrophobicContact CG2-CG2 3.87Å; F550-V600 HydrophobicContact CB-CG2 4.16Å; F550-V600 HydrophobicContact CD2-CG1 3.52Å; F550-V600 HydrophobicContact CD2-CG2 4.18Å; F550-V600 HydrophobicContact CE2-CG1 3.5Å; F550-V600 VanDerWaalsContact CE2-CG1 3.5Å; F550-V600 HydrophobicContact CG-CG1 4.32Å; F550-V600 HydrophobicContact CG-CG2 4.25Å; F550-V600 HydrophobicContact CZ-CG1 4.31Å; V600-G604 WeakPolarHBondContact CA-O 3.43Å; V600-G604 WeakPolarHBondContact CG1-O 3.45Å; V600-L605 HydrophobicContact CG2-CD1 3.96Å; V600-P702 HydrophobicContact CG1-CG 4.3Å
601	D	94.9	Very high	85.2	Confident	6 Å²	6	28.9 Å²	28.9	3%	0.032	15%	0.145	C	C	.	.			trans	-137.6	-168.8	177.3	82.6	-35.1	0	0	0	111.5	S603 G604 W606 L652 C654 G655 Y700	D601-S603 PolarHBondContact O-N 3.18Å; D601-S603 VanDerWaalsContact OD1-CA 3.3Å; D601-S603 WeakPolarHBondContact OD1-CA 3Å; D601-S603 WeakPolarHBondContact OD1-CB 3.01Å; D601-S603 PolarHBondContact OD1-N 2.99Å; D601-S603 VanDerWaalsContact OD2-CB 3.27Å; D601-S603 WeakPolarHBondContact OD2-CB 3.42Å; D601-S603 PolarHBondContact OD2-N 2.87Å; D601-S603 PolarHBondContact OD2-OG 3.5Å; D601-G604 PolarHBondContact N-O 3.39Å; D601-G604 VanDerWaalsContact N-O 3.12Å; D601-G604 PolarHBondContact OD1-N 3.18Å; D601-W606 VanDerWaalsContact CG-NE1 3.34Å; D601-W606 PolarHBondContact OD1-NE1 3.27Å; D601-L652 HydrophobicContact CB-CD2 3.59Å; D601-C654 WeakPolarHBondContact OD2-CA 3.43Å; D601-C654 PolarHBondContact OD2-N 3.16Å; D601-G655 PolarHBondContact OD2-N 3.33Å; D601-Y700 HydrophobicContact CB-CD1 4.47Å
602	E	92.6	Very high	87	Confident	45 Å²	45	22.3 Å²	22.3	21%	0.21	13%	0.125	C	C	.	.	S	Bend	trans	-60	-25.5	173.2	-66	76.4	-171.8	0	0	113.6	C473 C654 Y700 P702	C473-E602 HydrophobicContact CB-CB 4.41Å; C473-E602 HydrophobicContact CB-CG 4.23Å; E602-C654 VanDerWaalsContact CD-SG 3.56Å; E602-C654 PolarHBondContact OE2-N 2.92Å; E602-C654 PolarHBondContact OE2-SG 3.48Å; E602-Y700 WeakPolarHBondContact OE1-CE1 3.35Å; E602-Y700 PolarHBondContact OE1-OH 3.19Å; E602-P702 HydrophobicContact CG-CB 4.24Å
603	S	90.8	Very high	88.6	Confident	54 Å²	54	19.8 Å²	19.8	38%	0.378	11%	0.11	S	C	.	.	S	Bend	trans	-87.8	-30.8	-176.8	-38.7	0	0	0	0	113	D601	D601-S603 PolarHBondContact O-N 3.18Å; D601-S603 VanDerWaalsContact OD1-CA 3.3Å; D601-S603 WeakPolarHBondContact OD1-CA 3Å; D601-S603 WeakPolarHBondContact OD1-CB 3.01Å; D601-S603 PolarHBondContact OD1-N 2.99Å; D601-S603 VanDerWaalsContact OD2-CB 3.27Å; D601-S603 WeakPolarHBondContact OD2-CB 3.42Å; D601-S603 PolarHBondContact OD2-N 2.87Å; D601-S603 PolarHBondContact OD2-OG 3.5Å
604	G	93.6	Very high	89.4	Confident	16 Å²	16	23.6 Å²	23.6	17%	0.165	14%	0.135	C	C	.	.			trans	150.3	-142.4	175.6	0	0	0	0	0	115.1	V600 D601	V600-G604 WeakPolarHBondContact CA-O 3.43Å; V600-G604 WeakPolarHBondContact CG1-O 3.45Å; D601-G604 PolarHBondContact N-O 3.39Å; D601-G604 VanDerWaalsContact N-O 3.12Å; D601-G604 PolarHBondContact OD1-N 3.18Å
605	L	97.4	Very high	90.2	Very high	2 Å²	2	31 Å²	31	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	136.7	178.3	-178.6	71.5	0	0	0	109.6	V548 F550 F555 F598 V600 L627 H629 L632	V548-L605 HydrophobicContact CG2-CD1 3.94Å; F550-L605 HydrophobicContact CD1-CB 4.35Å; F550-L605 HydrophobicContact CE1-CB 4.28Å; F555-L605 HydrophobicContact CD1-CD1 4.43Å; F555-L605 HydrophobicContact CD1-CD2 3.64Å; F555-L605 HydrophobicContact CE1-CD2 3.3Å; F555-L605 HydrophobicContact CG-CD1 4.44Å; F555-L605 HydrophobicContact CG-CD2 4.41Å; F555-L605 HydrophobicContact CZ-CD2 3.84Å; F598-L605 HydrophobicContact CD1-CD1 3.89Å; F598-L605 HydrophobicContact CD1-CD2 4.44Å; F598-L605 HydrophobicContact CD1-CG 4.26Å; F598-L605 HydrophobicContact CE1-CD1 4.48Å; F598-L605 HydrophobicContact CE1-CD2 4.24Å; V600-L605 HydrophobicContact CG2-CD1 3.96Å; L605-L627 HydrophobicContact CD2-CB 4.15Å; L605-L627 HydrophobicContact CD2-CD1 4.46Å; L605-L627 HydrophobicContact CG-CB 4.38Å; L605-L627 PolarHBondContact O-N 2.93Å; L605-H629 HydrophobicContact CB-CB 4.15Å; L605-H629 HydrophobicContact CD2-CB 4.06Å; L605-L632 HydrophobicContact CD2-CD2 4.27Å
606	W	97.8	Very high	89.5	Confident	4 Å²	4	28.1 Å²	28.1	2%	0.015	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	158.6	179.7	-60.3	83.5	0	0	0	111.2	F598 A599 D601 L624 I625 Q626 F638 L652 T676	F598-W606 WeakPolarHBondContact CA-O 3.35Å; A599-W606 HydrophobicContact CB-CB 4.31Å; A599-W606 PolarHBondContact N-O 2.99Å; A599-W606 PolarHBondContact O-N 3.43Å; D601-W606 VanDerWaalsContact CG-NE1 3.34Å; D601-W606 PolarHBondContact OD1-NE1 3.27Å; W606-L624 HydrophobicContact CB-CD1 4.21Å; W606-L624 HydrophobicContact CD2-CD1 4.43Å; W606-L624 HydrophobicContact CE3-CD1 3.75Å; W606-L624 HydrophobicContact CE3-CD2 4.16Å; W606-L624 HydrophobicContact CE3-CG 3.8Å; W606-L624 HydrophobicContact CZ3-CD1 4.49Å; W606-L624 HydrophobicContact CZ3-CD2 4.09Å; W606-L624 HydrophobicContact CZ3-CG 4.07Å; W606-I625 CarbonylContact C-O 3.6Å; W606-I625 VanDerWaalsContact CA-O 3.3Å; W606-I625 WeakPolarHBondContact CA-O 3.5Å; W606-Q626 HydrophobicContact CD2-CB 4.19Å; W606-Q626 HydrophobicContact CD2-CG 4.1Å; W606-Q626 HydrophobicContact CE3-CB 3.74Å; W606-Q626 HydrophobicContact CE3-CG 4.14Å; W606-Q626 HydrophobicContact CH2-CB 4.03Å; W606-Q626 HydrophobicContact CH2-CG 4.05Å; W606-Q626 HydrophobicContact CZ2-CB 4.41Å; W606-Q626 HydrophobicContact CZ2-CG 3.97Å; W606-Q626 HydrophobicContact CZ3-CB 3.67Å; W606-Q626 HydrophobicContact CZ3-CG 4.13Å; W606-F638 HydrophobicContact CH2-CE2 4.11Å; W606-F638 HydrophobicContact CZ3-CD2 4.02Å; W606-F638 AromaticContact CZ3-CE2 3.7Å; W606-F638 HydrophobicContact CZ3-CE2 3.7Å; W606-L652 HydrophobicContact CB-CD1 4.14Å; W606-L652 HydrophobicContact CD2-CD1 3.75Å; W606-L652 HydrophobicContact CD2-CD2 4.31Å; W606-L652 HydrophobicContact CE3-CD1 4.03Å; W606-L652 HydrophobicContact CG-CD1 3.81Å; W606-L652 HydrophobicContact CG-CD2 4.23Å; W606-T676 HydrophobicContact CH2-CG2 4Å; W606-T676 HydrophobicContact CZ3-CG2 4Å
607	L	97.1	Very high	88.6	Confident	1 Å²	1	37.1 Å²	37.1	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	127.6	176.7	-172.2	67.3	0	0	0	109.6	V564 L580 V596 E597 F598 Y609 L624 I625 L627	V564-L607 HydrophobicContact CG1-CD1 4.44Å; V564-L607 HydrophobicContact CG1-CD2 4.29Å; V564-L607 HydrophobicContact CG2-CD2 4.24Å; L580-L607 HydrophobicContact CD1-CD2 3.98Å; L580-L607 HydrophobicContact CD2-CD2 3.71Å; L580-L607 HydrophobicContact CG-CD2 4.45Å; V596-L607 HydrophobicContact CG1-CD1 3.5Å; V596-L607 VanDerWaalsContact CG1-CD1 3.5Å; V596-L607 HydrophobicContact CG1-CG 4.25Å; E597-L607 CarbonylContact O-C 3.56Å; E597-L607 WeakPolarHBondContact O-CA 3.34Å; F598-L607 HydrophobicContact CD1-CD1 3.79Å; F598-L607 HydrophobicContact CD2-CD1 3.88Å; F598-L607 HydrophobicContact CE1-CD1 3.84Å; F598-L607 HydrophobicContact CE2-CD1 3.91Å; F598-L607 HydrophobicContact CG-CD1 3.83Å; F598-L607 HydrophobicContact CZ-CD1 3.91Å; L607-Y609 HydrophobicContact CD2-CD1 4.18Å; L607-Y609 HydrophobicContact CD2-CE1 4.28Å; L607-Y609 HydrophobicContact CG-CD1 4.13Å; L607-L624 CarbonylContact O-C 3.55Å; L607-I625 PolarHBondContact N-O 3.11Å; L607-I625 PolarHBondContact O-N 3.11Å; L607-L627 HydrophobicContact CB-CD1 3.71Å; L607-L627 HydrophobicContact CB-CG 4.18Å; L607-L627 HydrophobicContact CD2-CD1 4.03Å; L607-L627 HydrophobicContact CG-CD1 4.43Å
608	L	95.4	Very high	87.6	Confident	4 Å²	4	42.5 Å²	42.5	2%	0.021	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.6	175.8	-172.6	78.7	0	0	0	109	T594 E597 I622 L623 L624 T640 T650 L657	T594-L608 HydrophobicContact CG2-CD2 4.12Å; E597-L608 HydrophobicContact CB-CB 4.38Å; E597-L608 PolarHBondContact N-O 3.48Å; E597-L608 PolarHBondContact O-N 3.44Å; L608-I622 HydrophobicContact CD1-CG2 3.79Å; L608-I622 HydrophobicContact CD2-CG2 4.39Å; L608-I622 HydrophobicContact CG-CG2 3.88Å; L608-L623 VanDerWaalsContact CA-O 3.31Å; L608-L623 WeakPolarHBondContact CA-O 3.1Å; L608-L624 HydrophobicContact CD1-CB 3.96Å; L608-L624 HydrophobicContact CD1-CD1 4.28Å; L608-T640 HydrophobicContact CD1-CG2 4.29Å; L608-T650 HydrophobicContact CD2-CG2 3.54Å; L608-T650 WeakPolarHBondContact CD2-OG1 3.43Å; L608-L657 HydrophobicContact CD1-CD1 4.46Å; L608-L657 HydrophobicContact CD1-CD2 3.59Å; L608-L657 HydrophobicContact CD2-CD1 4.29Å; L608-L657 HydrophobicContact CD2-CD2 4.41Å
609	Y	93.3	Very high	86.7	Confident	8 Å²	8	47 Å²	47	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	154.6	175.9	65	-80.7	0	0	0	113.7	L580 D582 A583 L607 A611 I622 L623 I625	L580-Y609 HydrophobicContact CB-CE2 4.02Å; L580-Y609 HydrophobicContact CD1-CD1 3.98Å; L580-Y609 HydrophobicContact CD1-CD2 4.04Å; L580-Y609 HydrophobicContact CD1-CE1 4.15Å; L580-Y609 HydrophobicContact CD1-CE2 4.2Å; L580-Y609 HydrophobicContact CD1-CG 3.91Å; L580-Y609 HydrophobicContact CD2-CE1 4.05Å; D582-Y609 PolarHBondContact OD1-OH 2.03Å; D582-Y609 VanDerWaalsContact OD1-OH 3.09Å; D582-Y609 PolarHBondContact OD2-OH 3.46Å; A583-Y609 HydrophobicContact CB-CD2 3.6Å; A583-Y609 HydrophobicContact CB-CE2 3.79Å; L607-Y609 HydrophobicContact CD2-CD1 4.18Å; L607-Y609 HydrophobicContact CD2-CE1 4.28Å; L607-Y609 HydrophobicContact CG-CD1 4.13Å; Y609-A611 HydrophobicContact CD2-CB 4.13Å; Y609-A611 HydrophobicContact CE2-CB 3.82Å; Y609-I622 WeakPolarHBondContact O-CA 3.1Å; Y609-L623 HydrophobicContact CE1-CB 4.42Å; Y609-L623 PolarHBondContact N-O 3.45Å; Y609-L623 PolarHBondContact O-N 3.2Å; Y609-I625 HydrophobicContact CE1-CD1 3.64Å; Y609-I625 HydrophobicContact CE1-CG1 4.07Å; Y609-I625 WeakPolarHBondContact OH-CD1 3.48Å
610	P	91.4	Very high	86.2	Confident	5 Å²	5	49 Å²	49	3%	0.032	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	130.4	170.7	31.4	-35.3	0	0	0	111.5	A583 I584 V621 R644	A583-P610 WeakPolarHBondContact CA-O 3.42Å; I584-P610 HydrophobicContact CB-CB 4.45Å; I584-P610 PolarHBondContact N-O 2.67Å; P610-V621 WeakPolarHBondContact CA-O 3.02Å; P610-R644 HydrophobicContact CB-CG 4.38Å
611	A	90.8	Very high	85.9	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	160.7	-176.4	0	0	0	0	0	112.2	D582 Y609 V621 L623	D582-A611 HydrophobicContact CB-CB 4.33Å; D582-A611 WeakPolarHBondContact O-CA 2.98Å; D582-A611 WeakPolarHBondContact OD2-CB 2.72Å; Y609-A611 HydrophobicContact CD2-CB 4.13Å; Y609-A611 HydrophobicContact CE2-CB 3.82Å; A611-V621 HydrophobicContact CB-CG2 4.48Å; A611-V621 PolarHBondContact N-O 3.43Å; A611-V621 PolarHBondContact O-N 3.47Å; A611-L623 HydrophobicContact CB-CD1 3.71Å; A611-L623 HydrophobicContact CB-CG 3.92Å
612	L	88	Confident	85.7	Confident	80 Å²	80	48.9 Å²	48.9	42%	0.419	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	116.5	170.7	-67.4	174.7	0	0	0	110.9	D582 I584 T614	D582-L612 PolarHBondContact O-N 3.27Å; I584-L612 HydrophobicContact CD1-CD2 3.84Å; I584-L612 HydrophobicContact CD1-CG 4.11Å; I584-L612 HydrophobicContact CG1-CD2 4.11Å; I584-L612 HydrophobicContact CG1-CG 3.88Å; L612-T614 PolarHBondContact O-N 2.66Å; L612-T614 VanDerWaalsContact O-N 3.11Å
613	D	79.2	Confident	85.8	Confident	12 Å²	12	47.7 Å²	47.7	6%	0.064	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	104	177.4	177.1	16.1	0	0	0	112.2	E615 G616 H618 Q619 V621 R639	D613-E615 PolarHBondContact O-N 3Å; D613-E615 PolarHBondContact OD1-N 3.28Å; D613-G616 PolarHBondContact OD1-N 3.17Å; D613-G616 WeakPolarHBondContact OD2-CA 3.47Å; D613-G616 PolarHBondContact OD2-N 3.23Å; D613-H618 WeakPolarHBondContact O-CA 3.01Å; D613-H618 PolarHBondContact O-N 3.38Å; D613-Q619 WeakPolarHBondContact CB-O 3.47Å; D613-Q619 PolarHBondContact N-O 3.33Å; D613-V621 HydrophobicContact CB-CB 4.47Å; D613-V621 HydrophobicContact CB-CG1 3.79Å; D613-V621 HydrophobicContact CB-CG2 3.86Å; D613-R639 VanDerWaalsContact CG-NH1 3.27Å; D613-R639 IonicContact OD1-NH1 3.38Å; D613-R639 PolarHBondContact OD1-NH1 2.98Å; D613-R639 IonicContact OD2-CZ 2.76Å; D613-R639 IonicContact OD2-NH1 3.99Å; D613-R639 PolarHBondContact OD2-NH1 3.23Å; D613-R639 IonicContact OD2-NH2 2.63Å; D613-R639 PolarHBondContact OD2-NH2 3.5Å
614	T	69.9	Low	86.1	Confident	114 Å²	114	45.2 Å²	45.2	70%	0.699	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-17.8	177.7	48.7	0	0	0	0	113.7	L612	L612-T614 PolarHBondContact O-N 2.66Å; L612-T614 VanDerWaalsContact O-N 3.11Å
615	E	71.9	Confident	86.2	Confident	175 Å²	175	45 Å²	45	82%	0.818	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.8	-43.2	-179.3	-57.4	-174.5	157	0	0	111.5	D613 F617	D613-E615 PolarHBondContact O-N 3Å; D613-E615 PolarHBondContact OD1-N 3.28Å; E615-F617 PolarHBondContact O-N 3.04Å
616	G	61.5	Low	86.2	Confident	21 Å²	21	46.4 Å²	46.4	22%	0.216	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	58.8	-179.8	0	0	0	0	0	114.3	D613 H618 Q619	D613-G616 PolarHBondContact OD1-N 3.17Å; D613-G616 WeakPolarHBondContact OD2-CA 3.47Å; D613-G616 PolarHBondContact OD2-N 3.23Å; G616-H618 PolarHBondContact O-N 2.87Å; G616-Q619 WeakPolarHBondContact O-CB 3.46Å; G616-Q619 PolarHBondContact O-N 3.16Å
617	F	71	Confident	86.2	Confident	202 Å²	202	46.8 Å²	46.8	89%	0.886	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.1	37.3	168.1	-51.7	-87.1	0	0	0	115.8	E615 Q619	E615-F617 PolarHBondContact O-N 3.04Å; F617-Q619 PolarHBondContact O-N 3.38Å
618	H	71.7	Confident	86.2	Confident	131 Å²	131	51.3 Å²	51.3	61%	0.606	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	29.9	-179	-54.3	-61.8	0	0	0	114.3	D613 G616	D613-H618 WeakPolarHBondContact O-CA 3.01Å; D613-H618 PolarHBondContact O-N 3.38Å; G616-H618 PolarHBondContact O-N 2.87Å
619	Q	79.9	Confident	86.1	Confident	95 Å²	95	53 Å²	53	44%	0.444	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	140.5	173.2	-168.5	176.2	91.3	0	0	110.9	D613 G616 F617 V621 R643	D613-Q619 WeakPolarHBondContact CB-O 3.47Å; D613-Q619 PolarHBondContact N-O 3.33Å; G616-Q619 WeakPolarHBondContact O-CB 3.46Å; G616-Q619 PolarHBondContact O-N 3.16Å; F617-Q619 PolarHBondContact O-N 3.38Å; Q619-V621 PolarHBondContact O-N 3.21Å; Q619-R643 VanDerWaalsContact CD-NH1 3.31Å; Q619-R643 VanDerWaalsContact OE1-CZ 3.28Å
620	E	85.5	Confident	86.2	Confident	53 Å²	53	61.7 Å²	61.7	25%	0.248	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	122.3	168.4	174.9	-174.4	138.9	0	0	110.6	I584 R643 R644	I584-E620 HydrophobicContact CD1-CB 4.11Å; I584-E620 HydrophobicContact CD1-CG 3.87Å; E620-R643 PolarHBondContact O-NH1 2.96Å; E620-R644 WeakPolarHBondContact OE1-CB 3.47Å; E620-R644 WeakPolarHBondContact OE1-CG 3.21Å; E620-R644 IonicContact OE1-CZ 3.74Å; E620-R644 PolarHBondContact OE1-N 3.1Å; E620-R644 IonicContact OE1-NE 3.6Å; E620-R644 PolarHBondContact OE1-NE 2.69Å; E620-R644 IonicContact OE1-NH2 3.5Å; E620-R644 IonicContact OE2-CZ 3.7Å; E620-R644 IonicContact OE2-NE 2.68Å; E620-R644 PolarHBondContact OE2-NE 3.08Å; E620-R644 IonicContact OE2-NH2 2.69Å; E620-R644 PolarHBondContact OE2-NH2 2.82Å
621	V	89.9	Confident	86.4	Confident	4 Å²	4	64.9 Å²	64.9	2%	0.024	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	165.4	169.6	-68.3	0	0	0	0	109.6	P610 A611 D613 Q619 L623 R639	P610-V621 WeakPolarHBondContact CA-O 3.02Å; A611-V621 HydrophobicContact CB-CG2 4.48Å; A611-V621 PolarHBondContact N-O 3.43Å; A611-V621 PolarHBondContact O-N 3.47Å; D613-V621 HydrophobicContact CB-CB 4.47Å; D613-V621 HydrophobicContact CB-CG1 3.79Å; D613-V621 HydrophobicContact CB-CG2 3.86Å; Q619-V621 PolarHBondContact O-N 3.21Å; V621-L623 HydrophobicContact CG2-CD2 3.89Å; V621-L623 HydrophobicContact CG2-CG 4.21Å; V621-R639 HydrophobicContact CG1-CG 4.37Å; V621-R639 VanDerWaalsContact CG1-NH2 3.33Å
622	I	91.6	Very high	86.7	Confident	0 Å²	0	65 Å²	65	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	114.8	173.8	-55	-170.6	0	0	0	106.8	L608 Y609 T640 L642 R644 Y647	L608-I622 HydrophobicContact CD1-CG2 3.79Å; L608-I622 HydrophobicContact CD2-CG2 4.39Å; L608-I622 HydrophobicContact CG-CG2 3.88Å; Y609-I622 WeakPolarHBondContact O-CA 3.1Å; I622-T640 WeakPolarHBondContact O-CB 3.27Å; I622-T640 WeakPolarHBondContact O-CG2 3.34Å; I622-T640 PolarHBondContact O-N 2.69Å; I622-T640 PolarHBondContact O-OG1 3.04Å; I622-L642 HydrophobicContact CB-CB 4.2Å; I622-L642 HydrophobicContact CD1-CB 4.03Å; I622-L642 HydrophobicContact CG1-CB 4.48Å; I622-R644 HydrophobicContact CD1-CG 3.9Å; I622-Y647 HydrophobicContact CD1-CE1 3.96Å; I622-Y647 WeakPolarHBondContact CD1-OH 3.37Å
623	L	94.1	Very high	87.1	Confident	21 Å²	21	65.7 Å²	65.7	11%	0.11	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	133.6	-175.7	-62.6	-176.5	0	0	0	109.6	D582 L608 Y609 A611 V621 I625 T637	D582-L623 VanDerWaalsContact OD2-CD1 3.31Å; D582-L623 WeakPolarHBondContact OD2-CD1 3.4Å; L608-L623 VanDerWaalsContact CA-O 3.31Å; L608-L623 WeakPolarHBondContact CA-O 3.1Å; Y609-L623 HydrophobicContact CE1-CB 4.42Å; Y609-L623 PolarHBondContact N-O 3.45Å; Y609-L623 PolarHBondContact O-N 3.2Å; A611-L623 HydrophobicContact CB-CD1 3.71Å; A611-L623 HydrophobicContact CB-CG 3.92Å; V621-L623 HydrophobicContact CG2-CD2 3.89Å; V621-L623 HydrophobicContact CG2-CG 4.21Å; L623-I625 HydrophobicContact CB-CG1 4.39Å; L623-T637 HydrophobicContact CD1-CG2 4.31Å; L623-T637 HydrophobicContact CD2-CG2 4.37Å
624	L	96.3	Very high	87.9	Confident	2 Å²	2	68.8 Å²	68.8	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	120.5	167.3	173	65.6	0	0	0	107.9	W606 L607 L608 F638 T640 L652 L657 F674 T676	W606-L624 HydrophobicContact CB-CD1 4.21Å; W606-L624 HydrophobicContact CD2-CD1 4.43Å; W606-L624 HydrophobicContact CE3-CD1 3.75Å; W606-L624 HydrophobicContact CE3-CD2 4.16Å; W606-L624 HydrophobicContact CE3-CG 3.8Å; W606-L624 HydrophobicContact CZ3-CD1 4.49Å; W606-L624 HydrophobicContact CZ3-CD2 4.09Å; W606-L624 HydrophobicContact CZ3-CG 4.07Å; L607-L624 CarbonylContact O-C 3.55Å; L608-L624 HydrophobicContact CD1-CB 3.96Å; L608-L624 HydrophobicContact CD1-CD1 4.28Å; L624-F638 HydrophobicContact CB-CB 4.38Å; L624-F638 PolarHBondContact N-O 2.93Å; L624-F638 PolarHBondContact O-N 3.22Å; L624-T640 HydrophobicContact CB-CG2 3.8Å; L624-L652 HydrophobicContact CD1-CD1 3.57Å; L624-L652 HydrophobicContact CD2-CD1 3.82Å; L624-L652 HydrophobicContact CG-CD1 4.28Å; L624-L657 HydrophobicContact CD2-CB 4.08Å; L624-L657 HydrophobicContact CD2-CD2 4.32Å; L624-F674 HydrophobicContact CD2-CD1 4.31Å; L624-F674 HydrophobicContact CD2-CE1 4.35Å; L624-T676 HydrophobicContact CD2-CG2 3.7Å
625	I	96.6	Very high	89.1	Confident	12 Å²	12	66.4 Å²	66.4	6%	0.062	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	128.6	-178.1	-53.2	-165.4	0	0	0	109.8	W606 L607 Y609 L623 L627 P634 H636 T637	W606-I625 CarbonylContact C-O 3.6Å; W606-I625 VanDerWaalsContact CA-O 3.3Å; W606-I625 WeakPolarHBondContact CA-O 3.5Å; L607-I625 PolarHBondContact N-O 3.11Å; L607-I625 PolarHBondContact O-N 3.11Å; Y609-I625 HydrophobicContact CE1-CD1 3.64Å; Y609-I625 HydrophobicContact CE1-CG1 4.07Å; Y609-I625 WeakPolarHBondContact OH-CD1 3.48Å; L623-I625 HydrophobicContact CB-CG1 4.39Å; I625-L627 HydrophobicContact CB-CD2 4.47Å; I625-L627 HydrophobicContact CG2-CD2 3.7Å; I625-L627 HydrophobicContact CG2-CG 4.45Å; I625-P634 HydrophobicContact CG2-CB 3.72Å; I625-H636 CarbonylContact C-O 3.59Å; I625-H636 WeakPolarHBondContact CA-O 3.31Å; I625-H636 WeakPolarHBondContact CG2-O 3.43Å; I625-T637 HydrophobicContact CD1-CG2 4.11Å; I625-T637 HydrophobicContact CG1-CG2 4.03Å
626	Q	97.6	Very high	90.2	Very high	31 Å²	31	62.8 Å²	62.8	15%	0.145	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	127.7	168	-162.2	-175.2	24.4	0	0	108.9	W606 I635 H636	W606-Q626 HydrophobicContact CD2-CB 4.19Å; W606-Q626 HydrophobicContact CD2-CG 4.1Å; W606-Q626 HydrophobicContact CE3-CB 3.74Å; W606-Q626 HydrophobicContact CE3-CG 4.14Å; W606-Q626 HydrophobicContact CH2-CB 4.03Å; W606-Q626 HydrophobicContact CH2-CG 4.05Å; W606-Q626 HydrophobicContact CZ2-CB 4.41Å; W606-Q626 HydrophobicContact CZ2-CG 3.97Å; W606-Q626 HydrophobicContact CZ3-CB 3.67Å; W606-Q626 HydrophobicContact CZ3-CG 4.13Å; Q626-I635 HydrophobicContact CB-CB 4.4Å; Q626-I635 HydrophobicContact CG-CD1 4.23Å; Q626-I635 PolarHBondContact O-N 2.91Å; Q626-H636 HydrophobicContact CB-CB 4.34Å; Q626-H636 PolarHBondContact N-O 3.26Å; Q626-H636 PolarHBondContact OE1-ND1 2.69Å
627	L	97.3	Very high	91.8	Very high	11 Å²	11	65.6 Å²	65.6	6%	0.058	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	140.8	-172.3	-66.2	-176.8	0	0	0	113.5	F598 L605 L607 I625 H629 L632	F598-L627 HydrophobicContact CE1-CD1 3.91Å; L605-L627 HydrophobicContact CD2-CB 4.15Å; L605-L627 HydrophobicContact CD2-CD1 4.46Å; L605-L627 HydrophobicContact CG-CB 4.38Å; L605-L627 PolarHBondContact O-N 2.93Å; L607-L627 HydrophobicContact CB-CD1 3.71Å; L607-L627 HydrophobicContact CB-CG 4.18Å; L607-L627 HydrophobicContact CD2-CD1 4.03Å; L607-L627 HydrophobicContact CG-CD1 4.43Å; I625-L627 HydrophobicContact CB-CD2 4.47Å; I625-L627 HydrophobicContact CG2-CD2 3.7Å; I625-L627 HydrophobicContact CG2-CG 4.45Å; L627-H629 PolarHBondContact O-N 3.01Å; L627-H629 VanDerWaalsContact O-N 3.15Å; L627-L632 HydrophobicContact CD1-CD2 4.32Å
628	H	96.7	Very high	92.9	Very high	97 Å²	97	57.5 Å²	57.5	45%	0.449	28%	0.277	S	S	.	.			trans	-66.6	111.5	161.8	-81	-35.9	0	0	0	109.7	R630 D631 L632 Q633 I635	H628-R630 PolarHBondContact O-N 3.13Å; H628-D631 WeakPolarHBondContact CB-OD1 3.36Å; H628-D631 PolarHBondContact O-N 3.21Å; H628-L632 WeakPolarHBondContact O-CA 3.44Å; H628-L632 PolarHBondContact O-N 3.49Å; H628-Q633 HydrophobicContact CB-CB 4.43Å; H628-Q633 PolarHBondContact N-O 3.09Å; H628-I635 HydrophobicContact CB-CG1 4.46Å; H628-I635 VanDerWaalsContact ND1-CD1 3.28Å; H628-I635 WeakPolarHBondContact ND1-CD1 3.46Å
629	H	94.7	Very high	93.9	Very high	39 Å²	39	56.7 Å²	56.7	18%	0.181	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-4.5	-170.6	79.8	68	0	0	0	115.7	R501 F550 F555 R566 L605 L627	R501-H629 PolarHBondContact NH1-CD2 2.86Å; R501-H629 PolarHBondContact NH1-NE2 3.03Å; R501-H629 PolarHBondContact NH2-CE1 3.04Å; R501-H629 VanDerWaalsContact NH2-CE1 3.29Å; R501-H629 PolarHBondContact NH2-NE2 2.78Å; F550-H629 HydrophobicContact CD1-CB 3.89Å; F550-H629 HydrophobicContact CE1-CB 3.68Å; F550-H629 AromaticContact CE1-CD2 3.94Å; F550-H629 AromaticContact CE1-CG 3.84Å; F555-H629 HydrophobicContact CZ-CB 4.43Å; F555-H629 WeakPolarHBondContact CZ-O 3.48Å; R566-H629 WeakPolarHBondContact CD-O 3.17Å; R566-H629 PolarHBondContact NH1-O 2.9Å; L605-H629 HydrophobicContact CB-CB 4.15Å; L605-H629 HydrophobicContact CD2-CB 4.06Å; L627-H629 PolarHBondContact O-N 3.01Å; L627-H629 VanDerWaalsContact O-N 3.15Å
630	R	95.2	Very high	94.5	Very high	190 Å²	190	52.5 Å²	52.5	72%	0.717	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-40.9	-175.7	-68.1	-170.5	178.8	-144.4	2.7	112.6	R566 A576 H628	R566-R630 VanDerWaalsContact CD-O 3.31Å; R566-R630 WeakPolarHBondContact CD-O 3.32Å; A576-R630 WeakPolarHBondContact CB-O 3.44Å; H628-R630 PolarHBondContact O-N 3.13Å
631	D	95.1	Very high	94.6	Very high	73 Å²	73	52 Å²	52	39%	0.39	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.6	-1.9	-165.8	48.3	17.6	0	0	0	112.6	H628 Q633	H628-D631 WeakPolarHBondContact CB-OD1 3.36Å; H628-D631 PolarHBondContact O-N 3.21Å; D631-Q633 HydrophobicContact CB-CG 4.29Å; D631-Q633 PolarHBondContact O-N 3.03Å; D631-Q633 PolarHBondContact OD1-N 3.1Å
632	L	96.7	Very high	94.5	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	26%	0.259	C	S	.	.			trans	62.4	24.2	179.1	-53.4	173	0	0	0	113.9	F555 V564 R566 A576 T578 F598 L605 L627 H628	F555-L632 HydrophobicContact CD1-CD2 3.76Å; F555-L632 HydrophobicContact CE1-CD2 3.67Å; V564-L632 HydrophobicContact CG2-CD1 4.36Å; V564-L632 WeakPolarHBondContact O-CD1 3.33Å; R566-L632 HydrophobicContact CB-CD1 4.1Å; R566-L632 HydrophobicContact CB-CD2 4.35Å; R566-L632 HydrophobicContact CB-CG 4.32Å; A576-L632 HydrophobicContact CB-CD1 4.47Å; A576-L632 HydrophobicContact CB-CG 4.41Å; T578-L632 HydrophobicContact CG2-CB 3.64Å; T578-L632 HydrophobicContact CG2-CD1 4.33Å; F598-L632 HydrophobicContact CE1-CD2 4.45Å; L605-L632 HydrophobicContact CD2-CD2 4.27Å; L627-L632 HydrophobicContact CD1-CD2 4.32Å; H628-L632 WeakPolarHBondContact O-CA 3.44Å; H628-L632 PolarHBondContact O-N 3.49Å
633	Q	96.1	Very high	94.2	Very high	96 Å²	96	56.1 Å²	56.1	45%	0.449	27%	0.274	S	S	.	.			trans	-73.3	140.1	174.2	-64.5	-57.3	-56.2	0	0	111.3	H628 D631	H628-Q633 HydrophobicContact CB-CB 4.43Å; H628-Q633 PolarHBondContact N-O 3.09Å; D631-Q633 HydrophobicContact CB-CG 4.29Å; D631-Q633 PolarHBondContact O-N 3.03Å; D631-Q633 PolarHBondContact OD1-N 3.1Å
634	P	96	Very high	93.5	Very high	76 Å²	76	57.6 Å²	57.6	49%	0.494	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	134.7	175.2	29.8	-34.4	0	0	0	111	I625	I625-P634 HydrophobicContact CG2-CB 3.72Å
635	I	96	Very high	92.6	Very high	65 Å²	65	60 Å²	60	33%	0.333	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	-51.5	173.2	-46.1	177.7	0	0	0	109.3	Q626 H628	Q626-I635 HydrophobicContact CB-CB 4.4Å; Q626-I635 HydrophobicContact CG-CD1 4.23Å; Q626-I635 PolarHBondContact O-N 2.91Å; H628-I635 HydrophobicContact CB-CG1 4.46Å; H628-I635 VanDerWaalsContact ND1-CD1 3.28Å; H628-I635 WeakPolarHBondContact ND1-CD1 3.46Å
636	H	95	Very high	91.9	Very high	99 Å²	99	68.9 Å²	68.9	46%	0.458	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	140.1	-179.8	-58.5	119.4	0	0	0	109.4	I625 Q626 F638	I625-H636 CarbonylContact C-O 3.59Å; I625-H636 WeakPolarHBondContact CA-O 3.31Å; I625-H636 WeakPolarHBondContact CG2-O 3.43Å; Q626-H636 HydrophobicContact CB-CB 4.34Å; Q626-H636 PolarHBondContact N-O 3.26Å; Q626-H636 PolarHBondContact OE1-ND1 2.69Å; H636-F638 HydrophobicContact CB-CD2 4.41Å; H636-F638 HydrophobicContact CB-CE2 3.5Å; H636-F638 HydrophobicContact CB-CZ 3.65Å
637	T	95	Very high	91.4	Very high	80 Å²	80	67.6 Å²	67.6	49%	0.491	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.8	177.6	-64.6	0	0	0	0	109.2	L623 I625	L623-T637 HydrophobicContact CD1-CG2 4.31Å; L623-T637 HydrophobicContact CD2-CG2 4.37Å; I625-T637 HydrophobicContact CD1-CG2 4.11Å; I625-T637 HydrophobicContact CG1-CG2 4.03Å
638	F	94.7	Very high	90.9	Very high	32 Å²	32	67.2 Å²	67.2	14%	0.14	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.3	-177.1	-54.5	-87.5	0	0	0	110.5	W606 L624 H636 T640 F674 T676 L679	W606-F638 HydrophobicContact CH2-CE2 4.11Å; W606-F638 HydrophobicContact CZ3-CD2 4.02Å; W606-F638 AromaticContact CZ3-CE2 3.7Å; W606-F638 HydrophobicContact CZ3-CE2 3.7Å; L624-F638 HydrophobicContact CB-CB 4.38Å; L624-F638 PolarHBondContact N-O 2.93Å; L624-F638 PolarHBondContact O-N 3.22Å; H636-F638 HydrophobicContact CB-CD2 4.41Å; H636-F638 HydrophobicContact CB-CE2 3.5Å; H636-F638 HydrophobicContact CB-CZ 3.65Å; F638-T640 PolarHBondContact O-N 2.78Å; F638-F674 HydrophobicContact CB-CE1 3.68Å; F638-F674 HydrophobicContact CB-CZ 3.94Å; F638-F674 HydrophobicContact CD1-CZ 4.39Å; F638-F674 HydrophobicContact CG-CE1 4.28Å; F638-F674 HydrophobicContact CG-CZ 4.48Å; F638-T676 HydrophobicContact CD1-CG2 4.11Å; F638-T676 HydrophobicContact CD2-CG2 3.77Å; F638-T676 HydrophobicContact CE1-CG2 4.17Å; F638-T676 HydrophobicContact CE2-CG2 3.84Å; F638-T676 HydrophobicContact CG-CG2 3.91Å; F638-T676 HydrophobicContact CZ-CG2 4.04Å; F638-L679 HydrophobicContact CD1-CD2 3.58Å; F638-L679 HydrophobicContact CE1-CD2 3.73Å
639	R	92.1	Very high	90.6	Very high	113 Å²	113	63.3 Å²	63.3	43%	0.426	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	115.5	173.2	-178.4	-172	-173.8	128.1	8.8	109.6	D613 V621	D613-R639 VanDerWaalsContact CG-NH1 3.27Å; D613-R639 IonicContact OD1-NH1 3.38Å; D613-R639 PolarHBondContact OD1-NH1 2.98Å; D613-R639 IonicContact OD2-CZ 2.76Å; D613-R639 IonicContact OD2-NH1 3.99Å; D613-R639 PolarHBondContact OD2-NH1 3.23Å; D613-R639 IonicContact OD2-NH2 2.63Å; D613-R639 PolarHBondContact OD2-NH2 3.5Å; V621-R639 HydrophobicContact CG1-CG 4.37Å; V621-R639 VanDerWaalsContact CG1-NH2 3.33Å
640	T	92.1	Very high	90.6	Very high	7 Å²	7	61.5 Å²	61.5	4%	0.043	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	160.8	177.2	78.6	0	0	0	0	111.8	L608 I622 L624 F638 L642 L657 Y672 F674	L608-T640 HydrophobicContact CD1-CG2 4.29Å; I622-T640 WeakPolarHBondContact O-CB 3.27Å; I622-T640 WeakPolarHBondContact O-CG2 3.34Å; I622-T640 PolarHBondContact O-N 2.69Å; I622-T640 PolarHBondContact O-OG1 3.04Å; L624-T640 HydrophobicContact CB-CG2 3.8Å; F638-T640 PolarHBondContact O-N 2.78Å; T640-L642 VanDerWaalsContact C-N 3.28Å; T640-L642 WeakPolarHBondContact OG1-CB 3.44Å; T640-L642 PolarHBondContact OG1-N 3.29Å; T640-L657 HydrophobicContact CG2-CD2 3.79Å; T640-Y672 WeakPolarHBondContact CB-OH 2.96Å; T640-F674 HydrophobicContact CG2-CD1 4.14Å; T640-F674 HydrophobicContact CG2-CE1 4.43Å
641	G	88.7	Confident	90.6	Very high	42 Å²	42	52.5 Å²	52.5	43%	0.433	27%	0.268	S	S	.	.	S	Bend	trans	-84.5	1.3	171	0	0	0	0	0	114	Y672 H681	G641-Y672 PolarHBondContact N-OH 3.27Å; G641-H681 PolarHBondContact N-CE1 3.23Å
642	L	87.9	Confident	90.7	Very high	8 Å²	8	49 Å²	49	4%	0.042	25%	0.25	C	C	.	.			trans	-66.8	154.5	177.2	-67.6	176.7	0	0	0	111.3	I622 T640 Y647 T650 L657 Y672	I622-L642 HydrophobicContact CB-CB 4.2Å; I622-L642 HydrophobicContact CD1-CB 4.03Å; I622-L642 HydrophobicContact CG1-CB 4.48Å; T640-L642 VanDerWaalsContact C-N 3.28Å; T640-L642 WeakPolarHBondContact OG1-CB 3.44Å; T640-L642 PolarHBondContact OG1-N 3.29Å; L642-Y647 HydrophobicContact CB-CD1 4.38Å; L642-Y647 HydrophobicContact CB-CE1 3.68Å; L642-Y647 HydrophobicContact CD1-CE1 4.19Å; L642-Y647 HydrophobicContact CD1-CE2 4.41Å; L642-Y647 HydrophobicContact CD2-CD1 3.8Å; L642-Y647 HydrophobicContact CD2-CE1 3.89Å; L642-Y647 HydrophobicContact CD2-CG 4.25Å; L642-Y647 HydrophobicContact CG-CE1 4.13Å; L642-T650 HydrophobicContact CD1-CG2 4.09Å; L642-L657 HydrophobicContact CD1-CD2 3.82Å; L642-Y672 HydrophobicContact CD1-CD1 4.41Å; L642-Y672 HydrophobicContact CD1-CE1 4.09Å; L642-Y672 HydrophobicContact CD2-CD1 3.46Å; L642-Y672 VanDerWaalsContact CD2-CD1 3.46Å; L642-Y672 HydrophobicContact CD2-CD2 3.92Å; L642-Y672 HydrophobicContact CD2-CE1 3.68Å; L642-Y672 HydrophobicContact CD2-CE2 4.11Å; L642-Y672 HydrophobicContact CD2-CG 3.58Å; L642-Y672 HydrophobicContact CG-CD1 3.94Å; L642-Y672 HydrophobicContact CG-CE1 3.6Å; L642-Y672 HydrophobicContact CG-CE2 4.28Å; L642-Y672 HydrophobicContact CG-CG 4.41Å
643	R	83.8	Confident	90.6	Very high	84 Å²	84	49 Å²	49	32%	0.317	25%	0.25	S	C	.	.			trans	-144.4	140.9	176.1	-57.8	-65.6	174.2	145.1	8.4	108.5	Q619 E620 R646 Y647	Q619-R643 VanDerWaalsContact CD-NH1 3.31Å; Q619-R643 VanDerWaalsContact OE1-CZ 3.28Å; E620-R643 PolarHBondContact O-NH1 2.96Å; R643-R646 HydrophobicContact CB-CG 4.43Å; R643-R646 WeakPolarHBondContact O-CB 3.37Å; R643-R646 PolarHBondContact O-N 2.88Å; R643-Y647 WeakPolarHBondContact O-CD1 3.42Å; R643-Y647 WeakPolarHBondContact O-CE1 3.44Å
644	R	79.6	Confident	90.5	Very high	52 Å²	52	45 Å²	45	20%	0.196	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	153.2	178.3	-64.5	-177	-67.3	157.5	13.1	110.7	E586 P610 E620 I622 R646	E586-R644 IonicContact OE2-CZ 3.51Å; E586-R644 VanDerWaalsContact OE2-CZ 3.32Å; E586-R644 IonicContact OE2-NH1 3.36Å; E586-R644 PolarHBondContact OE2-NH1 3.22Å; E586-R644 IonicContact OE2-NH2 3.97Å; E586-R644 PolarHBondContact OE2-NH2 3.42Å; P610-R644 HydrophobicContact CB-CG 4.38Å; E620-R644 WeakPolarHBondContact OE1-CB 3.47Å; E620-R644 WeakPolarHBondContact OE1-CG 3.21Å; E620-R644 IonicContact OE1-CZ 3.74Å; E620-R644 PolarHBondContact OE1-N 3.1Å; E620-R644 IonicContact OE1-NE 3.6Å; E620-R644 PolarHBondContact OE1-NE 2.69Å; E620-R644 IonicContact OE1-NH2 3.5Å; E620-R644 IonicContact OE2-CZ 3.7Å; E620-R644 IonicContact OE2-NE 2.68Å; E620-R644 PolarHBondContact OE2-NE 3.08Å; E620-R644 IonicContact OE2-NH2 2.69Å; E620-R644 PolarHBondContact OE2-NH2 2.82Å; I622-R644 HydrophobicContact CD1-CG 3.9Å; R644-R646 VanDerWaalsContact C-N 3.27Å; R644-R646 PolarHBondContact O-N 3.36Å
645	G	78.1	Confident	90.4	Very high	52 Å²	52	41.4 Å²	41.4	54%	0.536	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	4.1	-175.6	0	0	0	0	0	115.6
646	R	82.6	Confident	90.4	Very high	199 Å²	199	39.2 Å²	39.2	75%	0.751	20%	0.199	S	C	*	.	S	Bend	trans	-116.6	-4.5	-177	-64.1	-162.3	174.4	-148.2	-2.7	116	R643 R644	R643-R646 HydrophobicContact CB-CG 4.43Å; R643-R646 WeakPolarHBondContact O-CB 3.37Å; R643-R646 PolarHBondContact O-N 2.88Å; R644-R646 VanDerWaalsContact C-N 3.27Å; R644-R646 PolarHBondContact O-N 3.36Å
647	Y	87.1	Confident	90.4	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.016	18%	0.177	C	C	.	.			trans	-155.1	148.2	-178.7	63.2	-87	0	0	0	108.8	Q593 T594 I622 L642 R643 T650 V660	Q593-Y647 WeakPolarHBondContact CB-O 3.41Å; Q593-Y647 WeakPolarHBondContact CG-O 3.26Å; Q593-Y647 PolarHBondContact OE1-O 2.9Å; Q593-Y647 VanDerWaalsContact OE1-O 3.07Å; T594-Y647 HydrophobicContact CG2-CE2 3.72Å; T594-Y647 PolarHBondContact OG1-OH 3.07Å; I622-Y647 HydrophobicContact CD1-CE1 3.96Å; I622-Y647 WeakPolarHBondContact CD1-OH 3.37Å; L642-Y647 HydrophobicContact CB-CD1 4.38Å; L642-Y647 HydrophobicContact CB-CE1 3.68Å; L642-Y647 HydrophobicContact CD1-CE1 4.19Å; L642-Y647 HydrophobicContact CD1-CE2 4.41Å; L642-Y647 HydrophobicContact CD2-CD1 3.8Å; L642-Y647 HydrophobicContact CD2-CE1 3.89Å; L642-Y647 HydrophobicContact CD2-CG 4.25Å; L642-Y647 HydrophobicContact CG-CE1 4.13Å; R643-Y647 WeakPolarHBondContact O-CD1 3.42Å; R643-Y647 WeakPolarHBondContact O-CE1 3.44Å; Y647-T650 HydrophobicContact CD2-CG2 3.9Å; Y647-T650 HydrophobicContact CE2-CG2 3.45Å; Y647-T650 VanDerWaalsContact CE2-CG2 3.45Å; Y647-V660 CarbonylContact C-O 3.58Å; Y647-V660 VanDerWaalsContact CA-O 3.28Å; Y647-V660 WeakPolarHBondContact CA-O 3.37Å; Y647-V660 VanDerWaalsContact CB-O 3.28Å; Y647-V660 WeakPolarHBondContact CB-O 3.33Å
648	G	85.6	Confident	90.5	Very high	2 Å²	2	31 Å²	31	2%	0.021	16%	0.155	C	C	.	.	S	Bend	trans	-75.7	-64.6	-179.4	0	0	0	0	0	113.5	V660	G648-V660 PolarHBondContact N-O 3.07Å
649	N	91.5	Very high	90.5	Very high	15 Å²	15	29.5 Å²	29.5	8%	0.08	15%	0.148	C	C	.	.			trans	-132.6	165.1	-177.7	-67.8	-81.2	0	0	0	110	V660 T695 V698	N649-V660 PolarHBondContact O-N 3.24Å; N649-T695 PolarHBondContact ND2-O 3.4Å; N649-V698 HydrophobicContact CB-CB 4.04Å; N649-V698 HydrophobicContact CB-CG2 3.75Å
650	T	94.4	Very high	90.6	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	175.9	166.3	82.1	0	0	0	0	111.7	T594 E597 L608 L642 Y647 L657 Y658	T594-T650 HydrophobicContact CG2-CG2 4.22Å; E597-T650 VanDerWaalsContact CD-OG1 3.26Å; E597-T650 PolarHBondContact OE1-OG1 3.1Å; E597-T650 PolarHBondContact OE2-OG1 2.98Å; L608-T650 HydrophobicContact CD2-CG2 3.54Å; L608-T650 WeakPolarHBondContact CD2-OG1 3.43Å; L642-T650 HydrophobicContact CD1-CG2 4.09Å; Y647-T650 HydrophobicContact CD2-CG2 3.9Å; Y647-T650 HydrophobicContact CE2-CG2 3.45Å; Y647-T650 VanDerWaalsContact CE2-CG2 3.45Å; T650-L657 HydrophobicContact CG2-CD1 4.47Å; T650-Y658 CarbonylContact C-O 3.51Å; T650-Y658 WeakPolarHBondContact CA-O 3.35Å; T650-Y658 VanDerWaalsContact CB-O 3.3Å; T650-Y658 WeakPolarHBondContact CB-O 3.43Å
651	F	95.6	Very high	90.6	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	152.7	157.6	57.6	-89.9	0	0	0	108.7	I480 V653 Y658 V660 V670 V698 L707	I480-F651 HydrophobicContact CD1-CE1 4.18Å; I480-F651 HydrophobicContact CD1-CZ 3.83Å; F651-V653 HydrophobicContact CD2-CG2 3.94Å; F651-V653 HydrophobicContact CE2-CG2 4.26Å; F651-Y658 AromaticContact CD2-CD2 3.96Å; F651-Y658 HydrophobicContact CD2-CD2 3.96Å; F651-Y658 HydrophobicContact CD2-CG 4.29Å; F651-Y658 AromaticContact CE2-CD2 3.5Å; F651-Y658 HydrophobicContact CE2-CD2 3.5Å; F651-Y658 HydrophobicContact CE2-CE2 4.35Å; F651-Y658 AromaticContact CE2-CG 3.62Å; F651-Y658 HydrophobicContact CE2-CG 3.62Å; F651-Y658 VanDerWaalsContact CZ-CB 3.44Å; F651-Y658 HydrophobicContact CZ-CD2 4.21Å; F651-Y658 AromaticContact CZ-CG 3.83Å; F651-Y658 HydrophobicContact CZ-CG 3.83Å; F651-Y658 PolarHBondContact N-O 2.86Å; F651-Y658 PolarHBondContact O-N 3.45Å; F651-V660 HydrophobicContact CD1-CG2 4.37Å; F651-V660 HydrophobicContact CE1-CG2 4.08Å; F651-V670 HydrophobicContact CE1-CG2 4.17Å; F651-V670 HydrophobicContact CZ-CG2 4.21Å; F651-V698 HydrophobicContact CB-CG1 4.23Å; F651-V698 HydrophobicContact CD1-CG1 3.92Å; F651-V698 HydrophobicContact CG-CG1 4.39Å; F651-L707 HydrophobicContact CB-CD2 3.93Å; F651-L707 HydrophobicContact CD1-CD1 4.22Å; F651-L707 HydrophobicContact CD1-CD2 4.36Å; F651-L707 HydrophobicContact CD2-CD1 4.44Å; F651-L707 HydrophobicContact CD2-CD2 3.72Å; F651-L707 HydrophobicContact CE1-CD1 4.14Å; F651-L707 HydrophobicContact CE2-CD1 4.36Å; F651-L707 HydrophobicContact CE2-CD2 4.31Å; F651-L707 HydrophobicContact CG-CD1 4.37Å; F651-L707 HydrophobicContact CG-CD2 3.75Å; F651-L707 HydrophobicContact CZ-CD1 4.22Å
652	L	95.8	Very high	90.7	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	131.6	-179.7	-167.1	154	0	0	0	110.6	A599 D601 W606 L624 V656 L657 Y700	A599-L652 HydrophobicContact CB-CB 3.97Å; D601-L652 HydrophobicContact CB-CD2 3.59Å; W606-L652 HydrophobicContact CB-CD1 4.14Å; W606-L652 HydrophobicContact CD2-CD1 3.75Å; W606-L652 HydrophobicContact CD2-CD2 4.31Å; W606-L652 HydrophobicContact CE3-CD1 4.03Å; W606-L652 HydrophobicContact CG-CD1 3.81Å; W606-L652 HydrophobicContact CG-CD2 4.23Å; L624-L652 HydrophobicContact CD1-CD1 3.57Å; L624-L652 HydrophobicContact CD2-CD1 3.82Å; L624-L652 HydrophobicContact CG-CD1 4.28Å; L652-V656 WeakPolarHBondContact CA-O 3.35Å; L652-L657 HydrophobicContact CB-CD1 4.33Å; L652-L657 HydrophobicContact CD1-CB 4.41Å; L652-L657 HydrophobicContact CD1-CD1 4.48Å; L652-Y700 WeakPolarHBondContact O-CB 3.37Å; L652-Y700 WeakPolarHBondContact O-CD1 3.48Å
653	V	95.5	Very high	90.8	Very high	1 Å²	1	24 Å²	24	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	127.2	-178.9	173.5	0	0	0	0	107.9	V477 F651 G655 V656 Y658 Y700 F722	V477-V653 HydrophobicContact CG2-CB 4.14Å; V477-V653 HydrophobicContact CG2-CG1 3.92Å; V477-V653 HydrophobicContact CG2-CG2 4.25Å; F651-V653 HydrophobicContact CD2-CG2 3.94Å; F651-V653 HydrophobicContact CE2-CG2 4.26Å; V653-G655 VanDerWaalsContact C-N 3.28Å; V653-G655 PolarHBondContact O-N 2.99Å; V653-G655 VanDerWaalsContact O-N 3.17Å; V653-V656 PolarHBondContact N-O 3.15Å; V653-V656 WeakPolarHBondContact O-CA 3.49Å; V653-V656 WeakPolarHBondContact O-CB 3.24Å; V653-V656 PolarHBondContact O-N 2.85Å; V653-Y658 HydrophobicContact CB-CE2 4.16Å; V653-Y700 HydrophobicContact CB-CD1 4.39Å; V653-Y700 HydrophobicContact CB-CE1 4.35Å; V653-Y700 HydrophobicContact CG1-CE1 4.16Å; V653-Y700 HydrophobicContact CG2-CD1 3.78Å; V653-Y700 HydrophobicContact CG2-CD2 3.7Å; V653-Y700 HydrophobicContact CG2-CE1 4.02Å; V653-Y700 HydrophobicContact CG2-CE2 3.96Å; V653-Y700 HydrophobicContact CG2-CG 3.6Å; V653-F722 HydrophobicContact CG1-CE1 3.6Å; V653-F722 HydrophobicContact CG1-CZ 4.09Å
654	C	93.4	Very high	91.2	Very high	12 Å²	12	26 Å²	26	8%	0.081	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	34.2	175	-53.8	0	0	0	0	116.2	C473 D601 E602 V656 H677	C473-C654 HydrophobicContact CB-CB 3.47Å; C473-C654 VanDerWaalsContact CB-CB 3.47Å; C473-C654 WeakPolarHBondContact CB-SG 3.5Å; C473-C654 WeakPolarHBondContact SG-CB 3Å; C473-C654 CovalentContact SG-SG 2.02Å; C473-C654 PolarHBondContact SG-SG 3.06Å; D601-C654 WeakPolarHBondContact OD2-CA 3.43Å; D601-C654 PolarHBondContact OD2-N 3.16Å; E602-C654 VanDerWaalsContact CD-SG 3.56Å; E602-C654 PolarHBondContact OE2-N 2.92Å; E602-C654 PolarHBondContact OE2-SG 3.48Å; C654-V656 VanDerWaalsContact C-N 3.29Å; C654-V656 PolarHBondContact O-N 3.43Å; C654-H677 PolarHBondContact O-NE2 3.49Å
655	G	93.7	Very high	91.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	6.5	-172.9	0	0	0	0	0	115.3	D601 V653 T676	D601-G655 PolarHBondContact OD2-N 3.33Å; V653-G655 VanDerWaalsContact C-N 3.28Å; V653-G655 PolarHBondContact O-N 2.99Å; V653-G655 VanDerWaalsContact O-N 3.17Å; G655-T676 WeakPolarHBondContact O-CG2 3.04Å; G655-T676 PolarHBondContact O-N 3.39Å; G655-T676 PolarHBondContact O-OG1 3.19Å
656	V	95.4	Very high	92.7	Very high	19 Å²	19	32 Å²	32	12%	0.115	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.7	175.6	-171.4	0	0	0	0	109.6	L652 V653 C654 Y658 A673 F674 D675	L652-V656 WeakPolarHBondContact CA-O 3.35Å; V653-V656 PolarHBondContact N-O 3.15Å; V653-V656 WeakPolarHBondContact O-CA 3.49Å; V653-V656 WeakPolarHBondContact O-CB 3.24Å; V653-V656 PolarHBondContact O-N 2.85Å; C654-V656 VanDerWaalsContact C-N 3.29Å; C654-V656 PolarHBondContact O-N 3.43Å; V656-Y658 HydrophobicContact CB-CD2 4.46Å; V656-Y658 HydrophobicContact CB-CE2 3.71Å; V656-Y658 HydrophobicContact CG1-CD2 4.24Å; V656-Y658 HydrophobicContact CG1-CE1 4.11Å; V656-Y658 HydrophobicContact CG1-CE2 3.62Å; V656-Y658 VanDerWaalsContact O-CD2 3.31Å; V656-Y658 WeakPolarHBondContact O-CD2 3.46Å; V656-Y658 WeakPolarHBondContact O-CE2 3.45Å; V656-A673 HydrophobicContact CG1-CB 4.17Å; V656-F674 CarbonylContact C-O 3.39Å; V656-F674 WeakPolarHBondContact CA-O 3.23Å; V656-D675 HydrophobicContact CG1-CB 4.49Å; V656-D675 HydrophobicContact CG2-CB 4.14Å
657	L	96.3	Very high	93.3	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	119.6	176.9	177.2	70.9	0	0	0	110.2	L608 L624 T640 L642 T650 L652 A673 F674	L608-L657 HydrophobicContact CD1-CD1 4.46Å; L608-L657 HydrophobicContact CD1-CD2 3.59Å; L608-L657 HydrophobicContact CD2-CD1 4.29Å; L608-L657 HydrophobicContact CD2-CD2 4.41Å; L624-L657 HydrophobicContact CD2-CB 4.08Å; L624-L657 HydrophobicContact CD2-CD2 4.32Å; T640-L657 HydrophobicContact CG2-CD2 3.79Å; L642-L657 HydrophobicContact CD1-CD2 3.82Å; T650-L657 HydrophobicContact CG2-CD1 4.47Å; L652-L657 HydrophobicContact CB-CD1 4.33Å; L652-L657 HydrophobicContact CD1-CB 4.41Å; L652-L657 HydrophobicContact CD1-CD1 4.48Å; L657-A673 CarbonylContact O-C 3.58Å; L657-A673 VanDerWaalsContact O-CA 3.25Å; L657-A673 WeakPolarHBondContact O-CA 3.24Å; L657-F674 PolarHBondContact N-O 3.31Å; L657-F674 PolarHBondContact O-N 3.49Å
658	Y	96.2	Very high	93.7	Very high	5 Å²	5	30.3 Å²	30.3	2%	0.02	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	139.3	179.3	-65	-87.5	0	0	0	111.2	T476 V477 T650 F651 V653 V656 V670 Y672 A673 P684	T476-Y658 WeakPolarHBondContact CG2-OH 3.27Å; V477-Y658 HydrophobicContact CB-CE1 4.26Å; V477-Y658 HydrophobicContact CB-CE2 4.29Å; V477-Y658 HydrophobicContact CG2-CE2 3.75Å; V477-Y658 PolarHBondContact N-OH 3.09Å; T650-Y658 CarbonylContact C-O 3.51Å; T650-Y658 WeakPolarHBondContact CA-O 3.35Å; T650-Y658 VanDerWaalsContact CB-O 3.3Å; T650-Y658 WeakPolarHBondContact CB-O 3.43Å; F651-Y658 AromaticContact CD2-CD2 3.96Å; F651-Y658 HydrophobicContact CD2-CD2 3.96Å; F651-Y658 HydrophobicContact CD2-CG 4.29Å; F651-Y658 AromaticContact CE2-CD2 3.5Å; F651-Y658 HydrophobicContact CE2-CD2 3.5Å; F651-Y658 HydrophobicContact CE2-CE2 4.35Å; F651-Y658 AromaticContact CE2-CG 3.62Å; F651-Y658 HydrophobicContact CE2-CG 3.62Å; F651-Y658 VanDerWaalsContact CZ-CB 3.44Å; F651-Y658 HydrophobicContact CZ-CD2 4.21Å; F651-Y658 AromaticContact CZ-CG 3.83Å; F651-Y658 HydrophobicContact CZ-CG 3.83Å; F651-Y658 PolarHBondContact N-O 2.86Å; F651-Y658 PolarHBondContact O-N 3.45Å; V653-Y658 HydrophobicContact CB-CE2 4.16Å; V656-Y658 HydrophobicContact CB-CD2 4.46Å; V656-Y658 HydrophobicContact CB-CE2 3.71Å; V656-Y658 HydrophobicContact CG1-CD2 4.24Å; V656-Y658 HydrophobicContact CG1-CE1 4.11Å; V656-Y658 HydrophobicContact CG1-CE2 3.62Å; V656-Y658 VanDerWaalsContact O-CD2 3.31Å; V656-Y658 WeakPolarHBondContact O-CD2 3.46Å; V656-Y658 WeakPolarHBondContact O-CE2 3.45Å; Y658-V670 HydrophobicContact CD1-CG1 3.79Å; Y658-V670 HydrophobicContact CG-CG1 4.27Å; Y658-Y672 CarbonylContact C-O 3.49Å; Y658-Y672 WeakPolarHBondContact CA-O 3.39Å; Y658-A673 HydrophobicContact CD1-CB 3.74Å; Y658-A673 HydrophobicContact CE1-CB 3.82Å; Y658-P684 HydrophobicContact CD1-CG 4.41Å
659	G	95.1	Very high	94.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.3	177.8	0	0	0	0	0	112.4	V670 T671 Y672	G659-V670 CarbonylContact O-C 3.59Å; G659-V670 WeakPolarHBondContact O-CA 3.31Å; G659-T671 PolarHBondContact O-N 3.08Å; G659-T671 VanDerWaalsContact O-N 3.11Å; G659-Y672 PolarHBondContact N-O 3.09Å; G659-Y672 PolarHBondContact O-N 2.95Å
660	V	94.9	Very high	94.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.5	176.8	-175.6	0	0	0	0	109.5	Y647 G648 N649 F651 S662 A668 N669 V670 F688	Y647-V660 CarbonylContact C-O 3.58Å; Y647-V660 VanDerWaalsContact CA-O 3.28Å; Y647-V660 WeakPolarHBondContact CA-O 3.37Å; Y647-V660 VanDerWaalsContact CB-O 3.28Å; Y647-V660 WeakPolarHBondContact CB-O 3.33Å; G648-V660 PolarHBondContact N-O 3.07Å; N649-V660 PolarHBondContact O-N 3.24Å; F651-V660 HydrophobicContact CD1-CG2 4.37Å; F651-V660 HydrophobicContact CE1-CG2 4.08Å; V660-S662 PolarHBondContact O-N 3.44Å; V660-S662 VanDerWaalsContact O-N 3.16Å; V660-A668 HydrophobicContact CG1-CB 3.82Å; V660-N669 CarbonylContact C-O 3.38Å; V660-V670 HydrophobicContact CG2-CG2 4.41Å; V660-F688 HydrophobicContact CG1-CB 4.34Å; V660-F688 HydrophobicContact CG1-CD1 3.65Å; V660-F688 HydrophobicContact CG1-CE1 4.28Å; V660-F688 HydrophobicContact CG1-CG 4.21Å; V660-F688 HydrophobicContact CG2-CD1 4.25Å; V660-F688 HydrophobicContact CG2-CE1 4.41Å; V660-F688 HydrophobicContact CG2-CG 4.45Å
661	D	92.3	Very high	94.4	Very high	29 Å²	29	35.3 Å²	35.3	16%	0.155	16%	0.16	C	C	.	.	S	Bend	trans	-66.8	-16.3	-172.1	81	-36.4	0	0	0	115.7	R665 A668 N669 T671	D661-R665 VanDerWaalsContact CG-NH2 3.3Å; D661-R665 PolarHBondContact O-NH2 3.04Å; D661-R665 IonicContact OD1-NH2 2.64Å; D661-R665 IonicContact OD2-CZ 2.7Å; D661-R665 IonicContact OD2-NE 3.01Å; D661-R665 PolarHBondContact OD2-NE 3.26Å; D661-R665 IonicContact OD2-NH2 3.39Å; D661-R665 PolarHBondContact OD2-NH2 3.35Å; D661-A668 VanDerWaalsContact OD1-CA 3.25Å; D661-A668 WeakPolarHBondContact OD1-CA 3.34Å; D661-A668 VanDerWaalsContact OD1-CB 3.29Å; D661-A668 WeakPolarHBondContact OD1-CB 3.37Å; D661-N669 WeakPolarHBondContact CB-O 3.46Å; D661-N669 PolarHBondContact N-O 3.01Å; D661-N669 PolarHBondContact OD1-N 3.25Å; D661-T671 HydrophobicContact CB-CG2 3.82Å
662	S	91	Very high	94.4	Very high	6 Å²	6	36.7 Å²	36.7	4%	0.042	17%	0.165	C	C	.	.			trans	-161	146.4	-179.6	-165	0	0	0	0	113.2	V660 E664 R665 N690	V660-S662 PolarHBondContact O-N 3.44Å; V660-S662 VanDerWaalsContact O-N 3.16Å; S662-E664 PolarHBondContact OG-N 3.3Å; S662-R665 PolarHBondContact OG-N 3.03Å; S662-N690 PolarHBondContact O-ND2 3.07Å
663	M	89.8	Confident	94.4	Very high	20 Å²	20	36.8 Å²	36.8	10%	0.099	17%	0.166	C	C	.	.	S	Bend	trans	-100.2	-12.1	168.1	61.4	-151.4	-144.4	0	0	113.4	Q593 H694 T695	Q593-M663 HydrophobicContact CG-CE 4.12Å; Q593-M663 HydrophobicContact CG-SD 3.57Å; Q593-M663 VanDerWaalsContact CG-SD 3.57Å; M663-H694 WeakPolarHBondContact O-CA 3.39Å; M663-T695 VanDerWaalsContact CB-O 3.31Å; M663-T695 WeakPolarHBondContact CB-O 3.46Å; M663-T695 PolarHBondContact O-N 3.17Å
664	E	90.8	Very high	94.4	Very high	126 Å²	126	37 Å²	37	59%	0.589	17%	0.167	S	C	*	.	S	Bend	trans	-105.4	-31.5	-176	-63.4	178	169.9	0	0	112.7	S662 T693	S662-E664 PolarHBondContact OG-N 3.3Å; E664-T693 WeakPolarHBondContact CA-O 3.47Å; E664-T693 WeakPolarHBondContact O-CA 3.38Å; E664-T693 WeakPolarHBondContact O-CB 3.32Å; E664-T693 WeakPolarHBondContact O-CG2 3.38Å
665	R	93.6	Very high	94.4	Very high	130 Å²	130	37.9 Å²	37.9	49%	0.491	17%	0.171	S	C	.	.	S	Bend	trans	-71.7	132.4	177.6	-69.9	-169.1	-77.6	-80.2	8.6	110.6	D661 S662 Y667 N690	D661-R665 VanDerWaalsContact CG-NH2 3.3Å; D661-R665 PolarHBondContact O-NH2 3.04Å; D661-R665 IonicContact OD1-NH2 2.64Å; D661-R665 IonicContact OD2-CZ 2.7Å; D661-R665 IonicContact OD2-NE 3.01Å; D661-R665 PolarHBondContact OD2-NE 3.26Å; D661-R665 IonicContact OD2-NH2 3.39Å; D661-R665 PolarHBondContact OD2-NH2 3.35Å; S662-R665 PolarHBondContact OG-N 3.03Å; R665-Y667 VanDerWaalsContact C-N 3.34Å; R665-Y667 WeakPolarHBondContact CB-O 3.44Å; R665-Y667 PolarHBondContact O-N 2.99Å; R665-N690 WeakPolarHBondContact O-CB 3.36Å; R665-N690 PolarHBondContact O-ND2 2.93Å
666	R	95.2	Very high	94.5	Very high	99 Å²	99	38.5 Å²	38.5	37%	0.374	18%	0.175	S	C	.	.	S	Bend	trans	-58.4	-46	178.1	-173.5	-173.9	-176.2	75.6	11.3	112.3	T689 N690 M691 T693	R666-T689 CarbonylContact O-C 3.57Å; R666-T689 WeakPolarHBondContact O-CA 3.46Å; R666-N690 WeakPolarHBondContact CA-O 3.42Å; R666-N690 WeakPolarHBondContact CG-O 3.49Å; R666-N690 PolarHBondContact O-N 3.22Å; R666-M691 PolarHBondContact NH1-O 2.97Å; R666-M691 PolarHBondContact NH2-SD 3.49Å; R666-T693 HydrophobicContact CB-CG2 3.7Å; R666-T693 HydrophobicContact CG-CG2 4.42Å
667	Y	96.3	Very high	94.3	Very high	166 Å²	166	43.8 Å²	43.8	65%	0.651	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-105.2	116.9	171.8	-53.8	-61.1	0	0	0	107.2	R665 T689	R665-Y667 VanDerWaalsContact C-N 3.34Å; R665-Y667 WeakPolarHBondContact CB-O 3.44Å; R665-Y667 PolarHBondContact O-N 2.99Å; Y667-T689 HydrophobicContact CD1-CG2 4.19Å; Y667-T689 HydrophobicContact CE1-CG2 4.15Å
668	A	94.7	Very high	94.1	Very high	2 Å²	2	47.7 Å²	47.7	2%	0.017	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	168.9	-178.2	0	0	0	0	0	108.7	V660 D661 F688	V660-A668 HydrophobicContact CG1-CB 3.82Å; D661-A668 VanDerWaalsContact OD1-CA 3.25Å; D661-A668 WeakPolarHBondContact OD1-CA 3.34Å; D661-A668 VanDerWaalsContact OD1-CB 3.29Å; D661-A668 WeakPolarHBondContact OD1-CB 3.37Å; A668-F688 CarbonylContact C-O 3.48Å; A668-F688 HydrophobicContact CB-CB 4.31Å; A668-F688 HydrophobicContact CB-CD1 4.39Å; A668-F688 PolarHBondContact N-O 3.29Å; A668-F688 PolarHBondContact O-N 2.95Å
669	N	95.9	Very high	93.9	Very high	69 Å²	69	52.6 Å²	52.6	37%	0.369	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	144.6	177.4	-69.4	-56.2	0	0	0	110.9	V660 D661 T671 L686	V660-N669 CarbonylContact C-O 3.38Å; D661-N669 WeakPolarHBondContact CB-O 3.46Å; D661-N669 PolarHBondContact N-O 3.01Å; D661-N669 PolarHBondContact OD1-N 3.25Å; N669-T671 HydrophobicContact CB-CG2 3.81Å; N669-T671 PolarHBondContact O-N 3.37Å; N669-T671 VanDerWaalsContact O-N 3.07Å; N669-L686 CarbonylContact C-O 3.51Å; N669-L686 VanDerWaalsContact CA-O 3.27Å; N669-L686 WeakPolarHBondContact CA-O 3.38Å
670	V	96.4	Very high	93.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	92.5	164.6	-172.6	0	0	0	0	107.7	I480 F651 Y658 G659 V660 P684 S685 L686	I480-V670 HydrophobicContact CD1-CG2 3.89Å; F651-V670 HydrophobicContact CE1-CG2 4.17Å; F651-V670 HydrophobicContact CZ-CG2 4.21Å; Y658-V670 HydrophobicContact CD1-CG1 3.79Å; Y658-V670 HydrophobicContact CG-CG1 4.27Å; G659-V670 CarbonylContact O-C 3.59Å; G659-V670 WeakPolarHBondContact O-CA 3.31Å; V660-V670 HydrophobicContact CG2-CG2 4.41Å; V670-P684 HydrophobicContact CB-CG 4.49Å; V670-P684 HydrophobicContact CG1-CG 3.95Å; V670-P684 WeakPolarHBondContact O-CG 3.49Å; V670-S685 WeakPolarHBondContact O-CA 3.47Å; V670-S685 PolarHBondContact O-N 3.01Å; V670-L686 HydrophobicContact CB-CB 3.93Å; V670-L686 HydrophobicContact CB-CD1 4.46Å; V670-L686 HydrophobicContact CB-CG 4.24Å; V670-L686 HydrophobicContact CG2-CB 3.99Å; V670-L686 PolarHBondContact N-O 3.41Å; V670-L686 PolarHBondContact O-N 3.12Å
671	T	94.5	Very high	93.7	Very high	53 Å²	53	60.4 Å²	60.4	33%	0.325	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	-2.3	-174.7	53.2	0	0	0	0	113.7	G659 D661 N669 V683	G659-T671 PolarHBondContact O-N 3.08Å; G659-T671 VanDerWaalsContact O-N 3.11Å; D661-T671 HydrophobicContact CB-CG2 3.82Å; N669-T671 HydrophobicContact CB-CG2 3.81Å; N669-T671 PolarHBondContact O-N 3.37Å; N669-T671 VanDerWaalsContact O-N 3.07Å; T671-V683 WeakPolarHBondContact O-CG1 3.26Å
672	Y	94.9	Very high	93.7	Very high	30 Å²	30	62.7 Å²	62.7	12%	0.118	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	137.7	179	177.5	-86.2	0	0	0	110	T640 G641 L642 Y658 G659 F674 H681	T640-Y672 WeakPolarHBondContact CB-OH 2.96Å; G641-Y672 PolarHBondContact N-OH 3.27Å; L642-Y672 HydrophobicContact CD1-CD1 4.41Å; L642-Y672 HydrophobicContact CD1-CE1 4.09Å; L642-Y672 HydrophobicContact CD2-CD1 3.46Å; L642-Y672 VanDerWaalsContact CD2-CD1 3.46Å; L642-Y672 HydrophobicContact CD2-CD2 3.92Å; L642-Y672 HydrophobicContact CD2-CE1 3.68Å; L642-Y672 HydrophobicContact CD2-CE2 4.11Å; L642-Y672 HydrophobicContact CD2-CG 3.58Å; L642-Y672 HydrophobicContact CG-CD1 3.94Å; L642-Y672 HydrophobicContact CG-CE1 3.6Å; L642-Y672 HydrophobicContact CG-CE2 4.28Å; L642-Y672 HydrophobicContact CG-CG 4.41Å; Y658-Y672 CarbonylContact C-O 3.49Å; Y658-Y672 WeakPolarHBondContact CA-O 3.39Å; G659-Y672 PolarHBondContact N-O 3.09Å; G659-Y672 PolarHBondContact O-N 2.95Å; Y672-F674 HydrophobicContact CE1-CB 3.6Å; Y672-F674 VanDerWaalsContact OH-CB 3.31Å; Y672-F674 WeakPolarHBondContact OH-CB 3.31Å; Y672-H681 AromaticContact CE2-ND1 3.78Å; Y672-H681 AromaticContact CZ-ND1 3.62Å; Y672-H681 PolarHBondContact OH-CE1 3.18Å; Y672-H681 PolarHBondContact OH-ND1 3.06Å
673	A	95.8	Very high	93.8	Very high	3 Å²	3	67.2 Å²	67.2	3%	0.025	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	144.5	161	0	0	0	0	0	109.7	V656 L657 Y658 H681 T682 P684	V656-A673 HydrophobicContact CG1-CB 4.17Å; L657-A673 CarbonylContact O-C 3.58Å; L657-A673 VanDerWaalsContact O-CA 3.25Å; L657-A673 WeakPolarHBondContact O-CA 3.24Å; Y658-A673 HydrophobicContact CD1-CB 3.74Å; Y658-A673 HydrophobicContact CE1-CB 3.82Å; A673-H681 CarbonylContact O-C 3.56Å; A673-H681 VanDerWaalsContact O-CA 3.31Å; A673-H681 WeakPolarHBondContact O-CA 3.38Å; A673-T682 PolarHBondContact N-O 3.39Å; A673-T682 PolarHBondContact O-N 2.84Å; A673-P684 HydrophobicContact CB-CG 3.98Å
674	F	95.6	Very high	93.9	Very high	5 Å²	5	68.4 Å²	68.4	2%	0.022	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	121.7	171.4	168.1	-111.7	0	0	0	109.9	L624 F638 T640 V656 L657 Y672 T676 L679 T680 H681	L624-F674 HydrophobicContact CD2-CD1 4.31Å; L624-F674 HydrophobicContact CD2-CE1 4.35Å; F638-F674 HydrophobicContact CB-CE1 3.68Å; F638-F674 HydrophobicContact CB-CZ 3.94Å; F638-F674 HydrophobicContact CD1-CZ 4.39Å; F638-F674 HydrophobicContact CG-CE1 4.28Å; F638-F674 HydrophobicContact CG-CZ 4.48Å; T640-F674 HydrophobicContact CG2-CD1 4.14Å; T640-F674 HydrophobicContact CG2-CE1 4.43Å; V656-F674 CarbonylContact C-O 3.39Å; V656-F674 WeakPolarHBondContact CA-O 3.23Å; L657-F674 PolarHBondContact N-O 3.31Å; L657-F674 PolarHBondContact O-N 3.49Å; Y672-F674 HydrophobicContact CE1-CB 3.6Å; Y672-F674 VanDerWaalsContact OH-CB 3.31Å; Y672-F674 WeakPolarHBondContact OH-CB 3.31Å; F674-T676 HydrophobicContact CD1-CG2 4.4Å; F674-T676 HydrophobicContact CE1-CG2 3.87Å; F674-L679 HydrophobicContact CZ-CD2 4.32Å; F674-T680 WeakPolarHBondContact CA-O 3.45Å; F674-T680 WeakPolarHBondContact CD2-O 3.32Å; F674-H681 AromaticContact CD2-CE1 3.18Å; F674-H681 WeakPolarHBondContact CD2-CE1 3.33Å; F674-H681 AromaticContact CD2-CG 3.98Å; F674-H681 AromaticContact CD2-ND1 3.32Å; F674-H681 VanDerWaalsContact CD2-ND1 3.32Å; F674-H681 WeakPolarHBondContact CD2-ND1 3.41Å; F674-H681 AromaticContact CD2-NE2 3.83Å; F674-H681 AromaticContact CE2-CE1 3.61Å; F674-H681 AromaticContact CE2-NE2 3.95Å; F674-H681 AromaticContact CG-CE1 3.9Å; F674-H681 AromaticContact CG-ND1 3.84Å
675	D	94.5	Very high	94.1	Very high	31 Å²	31	66 Å²	66	17%	0.166	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	117.7	-178.3	168.2	23.3	0	0	0	110.2	V656 H677 T678 L679 T680	V656-D675 HydrophobicContact CG1-CB 4.49Å; V656-D675 HydrophobicContact CG2-CB 4.14Å; D675-H677 VanDerWaalsContact C-N 3.25Å; D675-H677 PolarHBondContact O-N 2.9Å; D675-H677 WeakPolarHBondContact OD1-CB 3.26Å; D675-H677 IonicContact OD1-CD2 2.71Å; D675-H677 PolarHBondContact OD1-CD2 3.24Å; D675-H677 IonicContact OD1-CG 2.64Å; D675-H677 PolarHBondContact OD1-N 3.01Å; D675-T678 VanDerWaalsContact OD2-CB 3.27Å; D675-T678 WeakPolarHBondContact OD2-CB 3.39Å; D675-T678 WeakPolarHBondContact OD2-CG2 3.32Å; D675-T678 PolarHBondContact OD2-N 2.75Å; D675-T678 VanDerWaalsContact OD2-N 3.14Å; D675-T678 PolarHBondContact OD2-OG1 3.14Å; D675-L679 WeakPolarHBondContact O-CA 3.48Å; D675-L679 PolarHBondContact O-N 2.92Å; D675-T680 PolarHBondContact N-O 2.93Å; D675-T680 PolarHBondContact O-N 2.95Å
676	T	94.4	Very high	94.2	Very high	14 Å²	14	60.8 Å²	60.8	9%	0.086	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-18.5	178.2	60	0	0	0	0	113.7	W606 L624 F638 G655 F674	W606-T676 HydrophobicContact CH2-CG2 4Å; W606-T676 HydrophobicContact CZ3-CG2 4Å; L624-T676 HydrophobicContact CD2-CG2 3.7Å; F638-T676 HydrophobicContact CD1-CG2 4.11Å; F638-T676 HydrophobicContact CD2-CG2 3.77Å; F638-T676 HydrophobicContact CE1-CG2 4.17Å; F638-T676 HydrophobicContact CE2-CG2 3.84Å; F638-T676 HydrophobicContact CG-CG2 3.91Å; F638-T676 HydrophobicContact CZ-CG2 4.04Å; G655-T676 WeakPolarHBondContact O-CG2 3.04Å; G655-T676 PolarHBondContact O-N 3.39Å; G655-T676 PolarHBondContact O-OG1 3.19Å; F674-T676 HydrophobicContact CD1-CG2 4.4Å; F674-T676 HydrophobicContact CE1-CG2 3.87Å
677	H	91.9	Very high	94.2	Very high	130 Å²	130	59.4 Å²	59.4	60%	0.602	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-40.5	-179.4	-52.2	-71.3	0	0	0	112.1	C654 D675	C654-H677 PolarHBondContact O-NE2 3.49Å; D675-H677 VanDerWaalsContact C-N 3.25Å; D675-H677 PolarHBondContact O-N 2.9Å; D675-H677 WeakPolarHBondContact OD1-CB 3.26Å; D675-H677 IonicContact OD1-CD2 2.71Å; D675-H677 PolarHBondContact OD1-CD2 3.24Å; D675-H677 IonicContact OD1-CG 2.64Å; D675-H677 PolarHBondContact OD1-N 3.01Å
678	T	91.7	Very high	94.3	Very high	84 Å²	84	51.7 Å²	51.7	52%	0.515	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-10.3	176.1	63.4	0	0	0	0	114.2	D675 T680	D675-T678 VanDerWaalsContact OD2-CB 3.27Å; D675-T678 WeakPolarHBondContact OD2-CB 3.39Å; D675-T678 WeakPolarHBondContact OD2-CG2 3.32Å; D675-T678 PolarHBondContact OD2-N 2.75Å; D675-T678 VanDerWaalsContact OD2-N 3.14Å; D675-T678 PolarHBondContact OD2-OG1 3.14Å; T678-T680 PolarHBondContact O-N 3.04Å; T678-T680 PolarHBondContact OG1-OG1 3.43Å
679	L	93.1	Very high	94.4	Very high	108 Å²	108	53 Å²	53	57%	0.565	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	31	-171.7	-54.8	176.9	0	0	0	113	F638 F674 D675	F638-L679 HydrophobicContact CD1-CD2 3.58Å; F638-L679 HydrophobicContact CE1-CD2 3.73Å; F674-L679 HydrophobicContact CZ-CD2 4.32Å; D675-L679 WeakPolarHBondContact O-CA 3.48Å; D675-L679 PolarHBondContact O-N 2.92Å
680	T	91.2	Very high	94.3	Very high	69 Å²	69	49.7 Å²	49.7	42%	0.423	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	152.6	-178.6	67.1	0	0	0	0	113	F674 D675 T678	F674-T680 WeakPolarHBondContact CA-O 3.45Å; F674-T680 WeakPolarHBondContact CD2-O 3.32Å; D675-T680 PolarHBondContact N-O 2.93Å; D675-T680 PolarHBondContact O-N 2.95Å; T678-T680 PolarHBondContact O-N 3.04Å; T678-T680 PolarHBondContact OG1-OG1 3.43Å
681	H	93.1	Very high	94.3	Very high	94 Å²	94	52.4 Å²	52.4	44%	0.435	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	136.7	175.5	-50.6	-91.9	0	0	0	110	G641 Y672 A673 F674	G641-H681 PolarHBondContact N-CE1 3.23Å; Y672-H681 AromaticContact CE2-ND1 3.78Å; Y672-H681 AromaticContact CZ-ND1 3.62Å; Y672-H681 PolarHBondContact OH-CE1 3.18Å; Y672-H681 PolarHBondContact OH-ND1 3.06Å; A673-H681 CarbonylContact O-C 3.56Å; A673-H681 VanDerWaalsContact O-CA 3.31Å; A673-H681 WeakPolarHBondContact O-CA 3.38Å; F674-H681 AromaticContact CD2-CE1 3.18Å; F674-H681 WeakPolarHBondContact CD2-CE1 3.33Å; F674-H681 AromaticContact CD2-CG 3.98Å; F674-H681 AromaticContact CD2-ND1 3.32Å; F674-H681 VanDerWaalsContact CD2-ND1 3.32Å; F674-H681 WeakPolarHBondContact CD2-ND1 3.41Å; F674-H681 AromaticContact CD2-NE2 3.83Å; F674-H681 AromaticContact CE2-CE1 3.61Å; F674-H681 AromaticContact CE2-NE2 3.95Å; F674-H681 AromaticContact CG-CE1 3.9Å; F674-H681 AromaticContact CG-ND1 3.84Å
682	T	92.3	Very high	94.3	Very high	77 Å²	77	52.5 Å²	52.5	47%	0.472	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	168.8	178.1	64.4	0	0	0	0	112.1	A673 P684	A673-T682 PolarHBondContact N-O 3.39Å; A673-T682 PolarHBondContact O-N 2.84Å; T682-P684 WeakPolarHBondContact O-CD 3.28Å
683	V	94.1	Very high	94.2	Very high	102 Å²	102	54.5 Å²	54.5	62%	0.618	31%	0.312	S	S	*	.			trans	-119.8	82.1	-179.1	178.1	0	0	0	0	108	T671 S685	T671-V683 WeakPolarHBondContact O-CG1 3.26Å; V683-S685 VanDerWaalsContact C-N 3.29Å; V683-S685 PolarHBondContact O-N 2.67Å; V683-S685 PolarHBondContact O-OG 3.1Å
684	P	92.4	Very high	94.1	Very high	44 Å²	44	56.7 Å²	56.7	29%	0.286	32%	0.322	S	S	.	.			trans	-73.5	-19.9	-167.1	30.8	-37	0	0	0	113.3	Y658 V670 A673 T682 L686	Y658-P684 HydrophobicContact CD1-CG 4.41Å; V670-P684 HydrophobicContact CB-CG 4.49Å; V670-P684 HydrophobicContact CG1-CG 3.95Å; V670-P684 WeakPolarHBondContact O-CG 3.49Å; A673-P684 HydrophobicContact CB-CG 3.98Å; T682-P684 WeakPolarHBondContact O-CD 3.28Å; P684-L686 VanDerWaalsContact C-N 3.29Å; P684-L686 HydrophobicContact CB-CD2 4.18Å; P684-L686 HydrophobicContact CB-CG 4.02Å; P684-L686 HydrophobicContact CG-CG 4.36Å; P684-L686 PolarHBondContact O-N 3.33Å
685	S	93.9	Very high	94	Very high	77 Å²	77	56.5 Å²	56.5	54%	0.538	32%	0.321	S	S	.	.			trans	58.9	35.2	173.5	-49.5	0	0	0	0	114.2	V670 V683	V670-S685 WeakPolarHBondContact O-CA 3.47Å; V670-S685 PolarHBondContact O-N 3.01Å; V683-S685 VanDerWaalsContact C-N 3.29Å; V683-S685 PolarHBondContact O-N 2.67Å; V683-S685 PolarHBondContact O-OG 3.1Å
686	L	95.7	Very high	93.9	Very high	20 Å²	20	55.6 Å²	55.6	11%	0.105	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	136.9	179	-44.3	-179.6	0	0	0	110.1	V477 N669 V670 P684	V477-L686 HydrophobicContact CB-CD1 4.3Å; V477-L686 HydrophobicContact CG1-CD1 3.76Å; N669-L686 CarbonylContact C-O 3.51Å; N669-L686 VanDerWaalsContact CA-O 3.27Å; N669-L686 WeakPolarHBondContact CA-O 3.38Å; V670-L686 HydrophobicContact CB-CB 3.93Å; V670-L686 HydrophobicContact CB-CD1 4.46Å; V670-L686 HydrophobicContact CB-CG 4.24Å; V670-L686 HydrophobicContact CG2-CB 3.99Å; V670-L686 PolarHBondContact N-O 3.41Å; V670-L686 PolarHBondContact O-N 3.12Å; P684-L686 VanDerWaalsContact C-N 3.29Å; P684-L686 HydrophobicContact CB-CD2 4.18Å; P684-L686 HydrophobicContact CB-CG 4.02Å; P684-L686 HydrophobicContact CG-CG 4.36Å; P684-L686 PolarHBondContact O-N 3.33Å
687	A	96.4	Very high	93.9	Very high	69 Å²	69	55.1 Å²	55.1	57%	0.57	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	140.9	175.6	0	0	0	0	0	111.9
688	F	97.1	Very high	94.1	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.018	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	149.3	174.1	-164.6	-108.7	0	0	0	110	I480 V660 A668 N690 V698 L707 Y718	I480-F688 HydrophobicContact CD1-CD2 3.74Å; I480-F688 HydrophobicContact CD1-CE2 4.25Å; I480-F688 HydrophobicContact CG2-CD2 4.1Å; I480-F688 HydrophobicContact CG2-CE2 4.23Å; V660-F688 HydrophobicContact CG1-CB 4.34Å; V660-F688 HydrophobicContact CG1-CD1 3.65Å; V660-F688 HydrophobicContact CG1-CE1 4.28Å; V660-F688 HydrophobicContact CG1-CG 4.21Å; V660-F688 HydrophobicContact CG2-CD1 4.25Å; V660-F688 HydrophobicContact CG2-CE1 4.41Å; V660-F688 HydrophobicContact CG2-CG 4.45Å; A668-F688 CarbonylContact C-O 3.48Å; A668-F688 HydrophobicContact CB-CB 4.31Å; A668-F688 HydrophobicContact CB-CD1 4.39Å; A668-F688 PolarHBondContact N-O 3.29Å; A668-F688 PolarHBondContact O-N 2.95Å; F688-N690 WeakPolarHBondContact CD1-OD1 3.46Å; F688-N690 WeakPolarHBondContact CE1-OD1 3.38Å; F688-V698 HydrophobicContact CE1-CG2 4.1Å; F688-V698 HydrophobicContact CZ-CG1 4.15Å; F688-V698 HydrophobicContact CZ-CG2 3.83Å; F688-L707 HydrophobicContact CE2-CD1 4.16Å; F688-Y718 HydrophobicContact CD2-CE1 4.33Å; F688-Y718 HydrophobicContact CE2-CD1 4.12Å; F688-Y718 HydrophobicContact CE2-CD2 4.23Å; F688-Y718 AromaticContact CE2-CE1 3.82Å; F688-Y718 HydrophobicContact CE2-CE1 3.82Å; F688-Y718 AromaticContact CE2-CE2 3.96Å; F688-Y718 HydrophobicContact CE2-CE2 3.96Å; F688-Y718 HydrophobicContact CE2-CG 4.33Å; F688-Y718 AromaticContact CE2-CZ 3.76Å; F688-Y718 HydrophobicContact CZ-CD2 4.42Å; F688-Y718 HydrophobicContact CZ-CE1 4.07Å; F688-Y718 AromaticContact CZ-CE2 3.74Å; F688-Y718 HydrophobicContact CZ-CE2 3.74Å; F688-Y718 AromaticContact CZ-CZ 3.55Å
689	T	96.8	Very high	94.3	Very high	30 Å²	30	45.7 Å²	45.7	18%	0.184	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	104.6	-173.5	-59.9	0	0	0	0	112.2	P483 R666 Y667 M691 Y718	P483-T689 HydrophobicContact CG-CG2 4.12Å; R666-T689 CarbonylContact O-C 3.57Å; R666-T689 WeakPolarHBondContact O-CA 3.46Å; Y667-T689 HydrophobicContact CD1-CG2 4.19Å; Y667-T689 HydrophobicContact CE1-CG2 4.15Å; T689-M691 HydrophobicContact CG2-CG 4.29Å; T689-M691 HydrophobicContact CG2-SD 3.9Å; T689-M691 PolarHBondContact O-N 3.42Å; T689-Y718 PolarHBondContact O-OH 2.87Å
690	N	94.9	Very high	94.5	Very high	0 Å²	0	41 Å²	41	0%	0	24%	0.241	C	C	.	.			trans	-81.1	97.6	170.5	-53.6	-34.7	0	0	0	107.9	S662 R665 R666 F688 Y692 T693 T695	S662-N690 PolarHBondContact O-ND2 3.07Å; R665-N690 WeakPolarHBondContact O-CB 3.36Å; R665-N690 PolarHBondContact O-ND2 2.93Å; R666-N690 WeakPolarHBondContact CA-O 3.42Å; R666-N690 WeakPolarHBondContact CG-O 3.49Å; R666-N690 PolarHBondContact O-N 3.22Å; F688-N690 WeakPolarHBondContact CD1-OD1 3.46Å; F688-N690 WeakPolarHBondContact CE1-OD1 3.38Å; N690-Y692 VanDerWaalsContact C-N 3.25Å; N690-Y692 PolarHBondContact O-N 2.97Å; N690-T693 PolarHBondContact O-N 3.41Å; N690-T695 WeakPolarHBondContact CB-OG1 3.4Å; N690-T695 PolarHBondContact OD1-OG1 3.5Å; N690-T695 VanDerWaalsContact OD1-OG1 3.12Å
691	M	95.4	Very high	94.7	Very high	56 Å²	56	38 Å²	38	28%	0.276	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64	-28.3	-172.9	-77.2	-68.6	-79.3	0	0	114.5	P483 R666 T689 D711 M716	P483-M691 HydrophobicContact CB-CG 3.93Å; P483-M691 HydrophobicContact CG-CG 3.24Å; P483-M691 HydrophobicContact CG-SD 3.92Å; R666-M691 PolarHBondContact NH1-O 2.97Å; R666-M691 PolarHBondContact NH2-SD 3.49Å; T689-M691 HydrophobicContact CG2-CG 4.29Å; T689-M691 HydrophobicContact CG2-SD 3.9Å; T689-M691 PolarHBondContact O-N 3.42Å; M691-D711 WeakPolarHBondContact CA-OD2 3.37Å; M691-D711 PolarHBondContact N-OD2 2.91Å; M691-M716 HydrophobicContact CB-CE 4.31Å; M691-M716 HydrophobicContact CG-CE 4.17Å
692	Y	95.1	Very high	94.7	Very high	56 Å²	56	34.7 Å²	34.7	22%	0.22	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117	7.7	-175.1	-64.3	-86.7	0	0	0	113.4	R485 N690 H694 D711 H714 M716	R485-Y692 VanDerWaalsContact CZ-OH 3.25Å; R485-Y692 PolarHBondContact NE-OH 3.4Å; R485-Y692 PolarHBondContact NH2-OH 2.84Å; N690-Y692 VanDerWaalsContact C-N 3.25Å; N690-Y692 PolarHBondContact O-N 2.97Å; Y692-H694 PolarHBondContact O-N 3.49Å; Y692-H694 VanDerWaalsContact O-N 3.14Å; Y692-D711 HydrophobicContact CD2-CB 4.36Å; Y692-D711 PolarHBondContact N-OD2 3.33Å; Y692-H714 AromaticContact CD1-CE1 3.59Å; Y692-H714 AromaticContact CD1-ND1 3.61Å; Y692-H714 HydrophobicContact CD2-CB 3.94Å; Y692-H714 AromaticContact CD2-CG 3.85Å; Y692-H714 AromaticContact CD2-ND1 3.84Å; Y692-H714 AromaticContact CE1-CD2 3.84Å; Y692-H714 AromaticContact CE1-CE1 3.24Å; Y692-H714 WeakPolarHBondContact CE1-CE1 3.27Å; Y692-H714 AromaticContact CE1-CG 3.91Å; Y692-H714 AromaticContact CE1-ND1 3.54Å; Y692-H714 AromaticContact CE1-NE2 3.41Å; Y692-H714 WeakPolarHBondContact CE1-NE2 3.16Å; Y692-H714 HydrophobicContact CE2-CB 3.69Å; Y692-H714 AromaticContact CE2-CD2 3.76Å; Y692-H714 AromaticContact CE2-CG 3.47Å; Y692-H714 VanDerWaalsContact CE2-CG 3.47Å; Y692-H714 AromaticContact CE2-ND1 3.8Å; Y692-H714 AromaticContact CG-ND1 3.73Å; Y692-H714 AromaticContact CZ-CD2 3.32Å; Y692-H714 AromaticContact CZ-CE1 3.59Å; Y692-H714 AromaticContact CZ-CG 3.47Å; Y692-H714 VanDerWaalsContact CZ-CG 3.47Å; Y692-H714 AromaticContact CZ-ND1 3.62Å; Y692-H714 AromaticContact CZ-NE2 3.39Å; Y692-H714 PolarHBondContact OH-CD2 3.4Å; Y692-H714 PolarHBondContact OH-NE2 3.03Å; Y692-M716 HydrophobicContact CD2-SD 4.48Å; Y692-M716 HydrophobicContact CE2-CE 4.39Å; Y692-M716 HydrophobicContact CE2-SD 4.01Å
693	T	93.1	Very high	94.6	Very high	71 Å²	71	35.3 Å²	35.3	44%	0.436	21%	0.209	S	C	.	.	S	Bend	trans	59.4	23.8	170.5	49.8	0	0	0	0	114.9	E664 R666 N690 D711	E664-T693 WeakPolarHBondContact CA-O 3.47Å; E664-T693 WeakPolarHBondContact O-CA 3.38Å; E664-T693 WeakPolarHBondContact O-CB 3.32Å; E664-T693 WeakPolarHBondContact O-CG2 3.38Å; R666-T693 HydrophobicContact CB-CG2 3.7Å; R666-T693 HydrophobicContact CG-CG2 4.42Å; N690-T693 PolarHBondContact O-N 3.41Å; T693-D711 PolarHBondContact N-OD1 3.42Å
694	H	92.6	Very high	94.5	Very high	50 Å²	50	33.2 Å²	33.2	23%	0.231	19%	0.194	C	C	.	.			trans	-153.2	72.4	170.7	-173.6	70.8	0	0	0	110.3	D493 M663 Y692 S696 D711 D712	D493-H694 IonicContact OD1-CD2 2.65Å; D493-H694 IonicContact OD1-CE1 2.66Å; D493-H694 IonicContact OD1-NE2 3.04Å; D493-H694 PolarHBondContact OD1-NE2 3.47Å; M663-H694 WeakPolarHBondContact O-CA 3.39Å; Y692-H694 PolarHBondContact O-N 3.49Å; Y692-H694 VanDerWaalsContact O-N 3.14Å; H694-S696 PolarHBondContact O-N 3.11Å; H694-D711 VanDerWaalsContact C-OD1 3.28Å; H694-D711 PolarHBondContact N-OD1 2.84Å; H694-D711 WeakPolarHBondContact O-CA 3.4Å; H694-D712 HydrophobicContact CB-CB 4.22Å; H694-D712 PolarHBondContact O-N 2.94Å
695	T	94.1	Very high	94.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	102.3	-177.4	-61.2	0	0	0	0	111.1	N649 M663 N690 Q697 V698 A709 W710 D711	N649-T695 PolarHBondContact ND2-O 3.4Å; M663-T695 VanDerWaalsContact CB-O 3.31Å; M663-T695 WeakPolarHBondContact CB-O 3.46Å; M663-T695 PolarHBondContact O-N 3.17Å; N690-T695 WeakPolarHBondContact CB-OG1 3.4Å; N690-T695 PolarHBondContact OD1-OG1 3.5Å; N690-T695 VanDerWaalsContact OD1-OG1 3.12Å; T695-Q697 WeakPolarHBondContact CG2-O 3.41Å; T695-V698 HydrophobicContact CG2-CG2 3.72Å; T695-A709 HydrophobicContact CG2-CB 4.39Å; T695-W710 CarbonylContact C-O 3.56Å; T695-W710 VanDerWaalsContact CA-O 3.22Å; T695-W710 WeakPolarHBondContact CA-O 3.45Å; T695-D711 PolarHBondContact N-OD1 3.37Å; T695-D711 PolarHBondContact OG1-OD1 2.72Å
696	S	92.2	Very high	94.6	Very high	12 Å²	12	32.3 Å²	32.3	8%	0.084	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-9.3	-176.3	60.6	0	0	0	0	114.7	D493 G494 T545 H694 W710	D493-S696 WeakPolarHBondContact CA-OG 3.43Å; D493-S696 WeakPolarHBondContact OD1-CB 3.43Å; G494-S696 PolarHBondContact N-OG 2.92Å; T545-S696 VanDerWaalsContact CB-O 3.23Å; T545-S696 WeakPolarHBondContact CB-O 3.42Å; T545-S696 PolarHBondContact OG1-O 2.74Å; H694-S696 PolarHBondContact O-N 3.11Å; S696-W710 PolarHBondContact N-O 3.43Å; S696-W710 VanDerWaalsContact OG-CD1 3.25Å
697	Q	94.9	Very high	94.7	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.023	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	138.9	175.5	-173.4	-154	10.8	0	0	109.1	A495 W496 T695 A709 W710	A495-Q697 HydrophobicContact CB-CG 4.15Å; W496-Q697 PolarHBondContact O-NE2 2.66Å; W496-Q697 PolarHBondContact O-OE1 3.19Å; T695-Q697 WeakPolarHBondContact CG2-O 3.41Å; Q697-A709 WeakPolarHBondContact O-CA 3.37Å; Q697-A709 WeakPolarHBondContact O-CB 3.2Å; Q697-W710 HydrophobicContact CB-CB 3.83Å; Q697-W710 PolarHBondContact O-N 3.31Å; Q697-W710 VanDerWaalsContact O-N 3.16Å
698	V	95.9	Very high	94.8	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.018	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.2	154.6	-174.6	0	0	0	0	106.9	N649 F651 F688 T695 L707 Y708 A709	N649-V698 HydrophobicContact CB-CB 4.04Å; N649-V698 HydrophobicContact CB-CG2 3.75Å; F651-V698 HydrophobicContact CB-CG1 4.23Å; F651-V698 HydrophobicContact CD1-CG1 3.92Å; F651-V698 HydrophobicContact CG-CG1 4.39Å; F688-V698 HydrophobicContact CE1-CG2 4.1Å; F688-V698 HydrophobicContact CZ-CG1 4.15Å; F688-V698 HydrophobicContact CZ-CG2 3.83Å; T695-V698 HydrophobicContact CG2-CG2 3.72Å; V698-L707 HydrophobicContact CG1-CB 4.34Å; V698-L707 HydrophobicContact CG1-CD1 4.15Å; V698-L707 HydrophobicContact CG1-CD2 4.36Å; V698-Y708 CarbonylContact C-O 3.58Å; V698-Y708 WeakPolarHBondContact CA-O 3.26Å; V698-A709 HydrophobicContact CG2-CB 4.34Å
699	S	95.6	Very high	94.8	Very high	12 Å²	12	28.2 Å²	28.2	8%	0.084	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	138.7	-176.6	-166.7	0	0	0	0	111.3	L707 Y708	S699-L707 CarbonylContact O-C 3.6Å; S699-L707 WeakPolarHBondContact O-CA 3.39Å; S699-Y708 PolarHBondContact N-O 3.05Å; S699-Y708 PolarHBondContact O-N 3.16Å
700	Y	96.8	Very high	94.7	Very high	10 Å²	10	26.8 Å²	26.8	4%	0.039	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	149.8	-178.7	179.4	-120.4	0	0	0	112.4	D601 E602 L652 V653 P702 L707 V720 F722	D601-Y700 HydrophobicContact CB-CD1 4.47Å; E602-Y700 WeakPolarHBondContact OE1-CE1 3.35Å; E602-Y700 PolarHBondContact OE1-OH 3.19Å; L652-Y700 WeakPolarHBondContact O-CB 3.37Å; L652-Y700 WeakPolarHBondContact O-CD1 3.48Å; V653-Y700 HydrophobicContact CB-CD1 4.39Å; V653-Y700 HydrophobicContact CB-CE1 4.35Å; V653-Y700 HydrophobicContact CG1-CE1 4.16Å; V653-Y700 HydrophobicContact CG2-CD1 3.78Å; V653-Y700 HydrophobicContact CG2-CD2 3.7Å; V653-Y700 HydrophobicContact CG2-CE1 4.02Å; V653-Y700 HydrophobicContact CG2-CE2 3.96Å; V653-Y700 HydrophobicContact CG2-CG 3.6Å; Y700-P702 HydrophobicContact CE1-CB 3.89Å; Y700-L707 HydrophobicContact CD2-CD2 4.16Å; Y700-V720 HydrophobicContact CD2-CG2 4.39Å; Y700-V720 HydrophobicContact CE2-CG2 4.29Å; Y700-F722 HydrophobicContact CE2-CZ 4.47Å
701	N	95.5	Very high	94.8	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.027	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	113.8	167.7	-169.5	-24	0	0	0	110.7	L703 K705 K706 Y708	N701-L703 PolarHBondContact O-N 2.88Å; N701-L703 WeakPolarHBondContact OD1-CB 3.45Å; N701-L703 PolarHBondContact OD1-N 3.49Å; N701-K705 WeakPolarHBondContact O-CA 3.46Å; N701-K705 PolarHBondContact O-N 3.44Å; N701-K706 PolarHBondContact N-O 2.89Å; N701-Y708 HydrophobicContact CB-CD2 3.97Å; N701-Y708 HydrophobicContact CB-CE2 3.51Å
702	P	93.7	Very high	94.8	Very high	25 Å²	25	27.7 Å²	27.7	16%	0.162	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-16.5	-179.3	28.5	-36.7	0	0	0	114	V600 E602 Y700	V600-P702 HydrophobicContact CG1-CG 4.3Å; E602-P702 HydrophobicContact CG-CB 4.24Å; Y700-P702 HydrophobicContact CE1-CB 3.89Å
703	L	91.3	Very high	94.8	Very high	91 Å²	91	25.5 Å²	25.5	48%	0.476	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-39.7	-178.5	-64.1	174.5	0	0	0	113.5	D499 A500 G502 N701	D499-L703 WeakPolarHBondContact O-CD1 3.46Å; A500-L703 WeakPolarHBondContact O-CG 3.5Å; G502-L703 VanDerWaalsContact O-CD1 3.23Å; G502-L703 WeakPolarHBondContact O-CD1 3.29Å; N701-L703 PolarHBondContact O-N 2.88Å; N701-L703 WeakPolarHBondContact OD1-CB 3.45Å; N701-L703 PolarHBondContact OD1-N 3.49Å
704	D	91.9	Very high	95	Very high	57 Å²	57	24 Å²	24	31%	0.305	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	12.3	177.4	61.8	9	0	0	0	114.3	K498 K706 Y708	K498-D704 IonicContact NZ-OD2 2.72Å; K498-D704 PolarHBondContact NZ-OD2 3.33Å; D704-K706 VanDerWaalsContact C-N 3.27Å; D704-K706 WeakPolarHBondContact O-CG 3.46Å; D704-K706 PolarHBondContact O-N 2.9Å; D704-Y708 VanDerWaalsContact CG-OH 3.25Å; D704-Y708 WeakPolarHBondContact OD1-CE2 3.29Å; D704-Y708 PolarHBondContact OD1-OH 3.5Å; D704-Y708 PolarHBondContact OD2-OH 2.93Å
705	K	93	Very high	95.2	Very high	65 Å²	65	21.6 Å²	21.6	28%	0.283	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	44.3	174.9	-70.3	-159.2	149.7	-151	0	113.2	D475 N701 V720 F722	D475-K705 IonicContact OD2-NZ 3.53Å; D475-K705 PolarHBondContact OD2-NZ 2.91Å; N701-K705 WeakPolarHBondContact O-CA 3.46Å; N701-K705 PolarHBondContact O-N 3.44Å; K705-V720 PolarHBondContact O-N 3.09Å; K705-F722 HydrophobicContact CB-CE2 4.14Å; K705-F722 HydrophobicContact CB-CZ 4.47Å; K705-F722 HydrophobicContact CD-CD2 4.41Å; K705-F722 HydrophobicContact CD-CE2 3.65Å; K705-F722 HydrophobicContact CD-CZ 3.87Å; K705-F722 HydrophobicContact CG-CE2 4.33Å; K705-F722 HydrophobicContact CG-CZ 4.4Å
706	K	95.6	Very high	95.3	Very high	38 Å²	38	21.6 Å²	21.6	17%	0.165	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	150.1	-176	-80.4	166.9	179	-64.5	0	112	N701 D704 Y708 Y718 D719	N701-K706 PolarHBondContact N-O 2.89Å; D704-K706 VanDerWaalsContact C-N 3.27Å; D704-K706 WeakPolarHBondContact O-CG 3.46Å; D704-K706 PolarHBondContact O-N 2.9Å; K706-Y708 HydrophobicContact CB-CE2 3.99Å; K706-Y718 WeakPolarHBondContact CA-O 3.43Å; K706-Y718 WeakPolarHBondContact CB-O 3.4Å; K706-Y718 WeakPolarHBondContact CG-O 3.36Å; K706-D719 WeakPolarHBondContact CE-OD1 3.45Å; K706-D719 IonicContact NZ-OD1 3.48Å; K706-D719 PolarHBondContact NZ-OD1 3.29Å; K706-D719 IonicContact NZ-OD2 3.93Å; K706-D719 PolarHBondContact NZ-OD2 2.84Å
707	L	97.5	Very high	95.5	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.5	162.4	-60.3	176.1	0	0	0	109.3	I480 F651 F688 V698 S699 Y700 N717 Y718 V720	I480-L707 HydrophobicContact CD1-CD1 4.03Å; I480-L707 HydrophobicContact CG1-CD1 4.46Å; I480-L707 HydrophobicContact CG2-CD1 4.21Å; F651-L707 HydrophobicContact CB-CD2 3.93Å; F651-L707 HydrophobicContact CD1-CD1 4.22Å; F651-L707 HydrophobicContact CD1-CD2 4.36Å; F651-L707 HydrophobicContact CD2-CD1 4.44Å; F651-L707 HydrophobicContact CD2-CD2 3.72Å; F651-L707 HydrophobicContact CE1-CD1 4.14Å; F651-L707 HydrophobicContact CE2-CD1 4.36Å; F651-L707 HydrophobicContact CE2-CD2 4.31Å; F651-L707 HydrophobicContact CG-CD1 4.37Å; F651-L707 HydrophobicContact CG-CD2 3.75Å; F651-L707 HydrophobicContact CZ-CD1 4.22Å; F688-L707 HydrophobicContact CE2-CD1 4.16Å; V698-L707 HydrophobicContact CG1-CB 4.34Å; V698-L707 HydrophobicContact CG1-CD1 4.15Å; V698-L707 HydrophobicContact CG1-CD2 4.36Å; S699-L707 CarbonylContact O-C 3.6Å; S699-L707 WeakPolarHBondContact O-CA 3.39Å; Y700-L707 HydrophobicContact CD2-CD2 4.16Å; L707-N717 WeakPolarHBondContact O-CA 3.48Å; L707-N717 WeakPolarHBondContact O-CB 3.43Å; L707-Y718 HydrophobicContact CB-CD2 3.97Å; L707-Y718 PolarHBondContact N-O 3.23Å; L707-Y718 PolarHBondContact O-N 3.08Å; L707-V720 HydrophobicContact CD1-CG2 4.46Å; L707-V720 HydrophobicContact CD2-CG2 4.36Å; L707-V720 HydrophobicContact CG-CG2 3.81Å
708	Y	97.1	Very high	95.6	Very high	6 Å²	6	21.6 Å²	21.6	2%	0.024	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	128.6	172.5	-70.1	-110.8	0	0	0	107.1	W496 K498 V698 S699 N701 D704 K706	W496-Y708 AromaticContact CD2-CD1 3.95Å; W496-Y708 HydrophobicContact CD2-CD1 3.95Å; W496-Y708 AromaticContact CE2-CD1 3.75Å; W496-Y708 AromaticContact CE3-CD1 3.92Å; W496-Y708 HydrophobicContact CE3-CD1 3.92Å; W496-Y708 HydrophobicContact CE3-CE1 4.28Å; W496-Y708 AromaticContact CH2-CD1 3.54Å; W496-Y708 HydrophobicContact CH2-CD1 3.54Å; W496-Y708 AromaticContact CH2-CE1 3.7Å; W496-Y708 HydrophobicContact CH2-CE1 3.7Å; W496-Y708 AromaticContact CZ2-CD1 3.56Å; W496-Y708 HydrophobicContact CZ2-CD1 3.56Å; W496-Y708 HydrophobicContact CZ2-CE1 4.2Å; W496-Y708 HydrophobicContact CZ2-CG 4.3Å; W496-Y708 AromaticContact CZ3-CD1 3.73Å; W496-Y708 HydrophobicContact CZ3-CD1 3.73Å; W496-Y708 AromaticContact CZ3-CE1 3.75Å; W496-Y708 HydrophobicContact CZ3-CE1 3.75Å; K498-Y708 HydrophobicContact CD-CE1 4.42Å; K498-Y708 WeakPolarHBondContact CD-OH 3.42Å; K498-Y708 WeakPolarHBondContact CE-OH 3.31Å; K498-Y708 HydrophobicContact CG-CE1 4.17Å; K498-Y708 PolarHBondContact NZ-OH 3.36Å; V698-Y708 CarbonylContact C-O 3.58Å; V698-Y708 WeakPolarHBondContact CA-O 3.26Å; S699-Y708 PolarHBondContact N-O 3.05Å; S699-Y708 PolarHBondContact O-N 3.16Å; N701-Y708 HydrophobicContact CB-CD2 3.97Å; N701-Y708 HydrophobicContact CB-CE2 3.51Å; D704-Y708 VanDerWaalsContact CG-OH 3.25Å; D704-Y708 WeakPolarHBondContact OD1-CE2 3.29Å; D704-Y708 PolarHBondContact OD1-OH 3.5Å; D704-Y708 PolarHBondContact OD2-OH 2.93Å; K706-Y708 HydrophobicContact CB-CE2 3.99Å
709	A	96.9	Very high	95.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	155	-178.8	0	0	0	0	0	112.7	W496 T695 Q697 V698 M716 Y718	W496-A709 PolarHBondContact NE1-O 3.22Å; T695-A709 HydrophobicContact CG2-CB 4.39Å; Q697-A709 WeakPolarHBondContact O-CA 3.37Å; Q697-A709 WeakPolarHBondContact O-CB 3.2Å; V698-A709 HydrophobicContact CG2-CB 4.34Å; A709-M716 HydrophobicContact CB-CB 4.47Å; A709-M716 PolarHBondContact N-O 3.45Å; A709-M716 PolarHBondContact O-N 3.15Å; A709-Y718 HydrophobicContact CB-CE2 3.7Å
710	W	96.4	Very high	95.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	121.6	174.6	-167.5	-69.7	0	0	0	108.5	Y489 L491 S492 G494 W496 L509 T695 S696 Q697 Q715	Y489-W710 WeakPolarHBondContact O-CH2 3.41Å; Y489-W710 VanDerWaalsContact O-CZ2 3.31Å; Y489-W710 WeakPolarHBondContact O-CZ2 3.5Å; L491-W710 WeakPolarHBondContact O-CZ2 3.28Å; L491-W710 PolarHBondContact O-NE1 2.9Å; S492-W710 PolarHBondContact O-NE1 3.03Å; G494-W710 VanDerWaalsContact C-CD2 3.5Å; G494-W710 WeakPolarHBondContact O-CB 3.28Å; W496-W710 HydrophobicContact CB-CE3 4.31Å; W496-W710 HydrophobicContact CB-CZ3 4.33Å; L509-W710 HydrophobicContact CD1-CH2 3.83Å; L509-W710 HydrophobicContact CD1-CZ3 3.54Å; L509-W710 HydrophobicContact CD2-CH2 4.16Å; L509-W710 HydrophobicContact CD2-CZ3 4.33Å; L509-W710 HydrophobicContact CG-CH2 4.05Å; L509-W710 HydrophobicContact CG-CZ3 3.73Å; T695-W710 CarbonylContact C-O 3.56Å; T695-W710 VanDerWaalsContact CA-O 3.22Å; T695-W710 WeakPolarHBondContact CA-O 3.45Å; S696-W710 PolarHBondContact N-O 3.43Å; S696-W710 VanDerWaalsContact OG-CD1 3.25Å; Q697-W710 HydrophobicContact CB-CB 3.83Å; Q697-W710 PolarHBondContact O-N 3.31Å; Q697-W710 VanDerWaalsContact O-N 3.16Å; W710-Q715 HydrophobicContact CD2-CG 4.48Å; W710-Q715 HydrophobicContact CE3-CG 3.86Å; W710-Q715 VanDerWaalsContact CE3-NE2 3.34Å; W710-Q715 VanDerWaalsContact CZ2-NE2 3.25Å; W710-Q715 HydrophobicContact CZ3-CG 3.99Å
711	D	96.1	Very high	95.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	103.1	-171.2	-169	27.5	0	0	0	109.3	M691 Y692 T693 H694 T695 G713 H714 M716	M691-D711 WeakPolarHBondContact CA-OD2 3.37Å; M691-D711 PolarHBondContact N-OD2 2.91Å; Y692-D711 HydrophobicContact CD2-CB 4.36Å; Y692-D711 PolarHBondContact N-OD2 3.33Å; T693-D711 PolarHBondContact N-OD1 3.42Å; H694-D711 VanDerWaalsContact C-OD1 3.28Å; H694-D711 PolarHBondContact N-OD1 2.84Å; H694-D711 WeakPolarHBondContact O-CA 3.4Å; T695-D711 PolarHBondContact N-OD1 3.37Å; T695-D711 PolarHBondContact OG1-OD1 2.72Å; D711-G713 PolarHBondContact O-N 3.02Å; D711-H714 PolarHBondContact N-O 2.91Å; D711-H714 VanDerWaalsContact O-CB 3.27Å; D711-H714 WeakPolarHBondContact O-CB 3.36Å; D711-H714 PolarHBondContact O-N 3.07Å; D711-H714 PolarHBondContact O-ND1 2.96Å; D711-M716 HydrophobicContact CB-CG 4Å
712	D	95	Very high	95.3	Very high	76 Å²	76	29.6 Å²	29.6	41%	0.406	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	38.2	61	-169	-163.4	31	0	0	0	114.2	S492 H694 H714	S492-D712 WeakPolarHBondContact CB-OD1 3.46Å; H694-D712 HydrophobicContact CB-CB 4.22Å; H694-D712 PolarHBondContact O-N 2.94Å; D712-H714 PolarHBondContact O-CE1 3.32Å; D712-H714 PolarHBondContact O-N 2.73Å; D712-H714 VanDerWaalsContact O-N 3.16Å; D712-H714 PolarHBondContact O-ND1 2.78Å
713	G	95	Very high	94.8	Very high	9 Å²	9	30.8 Å²	30.8	9%	0.093	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	2	-179.5	0	0	0	0	0	116.3	Y489 L491 S492 D711 Q715	Y489-G713 PolarHBondContact N-O 3.03Å; L491-G713 WeakPolarHBondContact O-CA 3.25Å; L491-G713 PolarHBondContact O-N 3.04Å; S492-G713 PolarHBondContact O-N 2.77Å; D711-G713 PolarHBondContact O-N 3.02Å; G713-Q715 PolarHBondContact O-NE2 3.31Å; G713-Q715 PolarHBondContact O-OE1 2.65Å
714	H	97	Very high	93.6	Very high	39 Å²	39	38.4 Å²	38.4	18%	0.181	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	133.2	174.5	-56.8	76.7	0	0	0	110.8	Y692 D711 D712 M716	Y692-H714 AromaticContact CD1-CE1 3.59Å; Y692-H714 AromaticContact CD1-ND1 3.61Å; Y692-H714 HydrophobicContact CD2-CB 3.94Å; Y692-H714 AromaticContact CD2-CG 3.85Å; Y692-H714 AromaticContact CD2-ND1 3.84Å; Y692-H714 AromaticContact CE1-CD2 3.84Å; Y692-H714 AromaticContact CE1-CE1 3.24Å; Y692-H714 WeakPolarHBondContact CE1-CE1 3.27Å; Y692-H714 AromaticContact CE1-CG 3.91Å; Y692-H714 AromaticContact CE1-ND1 3.54Å; Y692-H714 AromaticContact CE1-NE2 3.41Å; Y692-H714 WeakPolarHBondContact CE1-NE2 3.16Å; Y692-H714 HydrophobicContact CE2-CB 3.69Å; Y692-H714 AromaticContact CE2-CD2 3.76Å; Y692-H714 AromaticContact CE2-CG 3.47Å; Y692-H714 VanDerWaalsContact CE2-CG 3.47Å; Y692-H714 AromaticContact CE2-ND1 3.8Å; Y692-H714 AromaticContact CG-ND1 3.73Å; Y692-H714 AromaticContact CZ-CD2 3.32Å; Y692-H714 AromaticContact CZ-CE1 3.59Å; Y692-H714 AromaticContact CZ-CG 3.47Å; Y692-H714 VanDerWaalsContact CZ-CG 3.47Å; Y692-H714 AromaticContact CZ-ND1 3.62Å; Y692-H714 AromaticContact CZ-NE2 3.39Å; Y692-H714 PolarHBondContact OH-CD2 3.4Å; Y692-H714 PolarHBondContact OH-NE2 3.03Å; D711-H714 PolarHBondContact N-O 2.91Å; D711-H714 VanDerWaalsContact O-CB 3.27Å; D711-H714 WeakPolarHBondContact O-CB 3.36Å; D711-H714 PolarHBondContact O-N 3.07Å; D711-H714 PolarHBondContact O-ND1 2.96Å; D712-H714 PolarHBondContact O-CE1 3.32Å; D712-H714 PolarHBondContact O-N 2.73Å; D712-H714 VanDerWaalsContact O-N 3.16Å; D712-H714 PolarHBondContact O-ND1 2.78Å; H714-M716 HydrophobicContact CB-CG 4.41Å; H714-M716 HydrophobicContact CB-SD 3.89Å
715	Q	97.1	Very high	93.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	107.9	179.8	-68.8	75.3	34.8	0	0	108.8	Q486 T487 Y489 W496 F527 W710 G713	Q486-Q715 PolarHBondContact N-O 2.89Å; T487-Q715 HydrophobicContact CG2-CB 4.2Å; T487-Q715 HydrophobicContact CG2-CG 4.39Å; T487-Q715 PolarHBondContact O-N 2.9Å; T487-Q715 PolarHBondContact O-OE1 2.97Å; Y489-Q715 VanDerWaalsContact N-OE1 3.11Å; Y489-Q715 PolarHBondContact O-NE2 2.98Å; W496-Q715 HydrophobicContact CB-CG 4.24Å; W496-Q715 HydrophobicContact CD2-CB 3.89Å; W496-Q715 HydrophobicContact CD2-CG 4.11Å; W496-Q715 HydrophobicContact CG-CB 4.05Å; W496-Q715 HydrophobicContact CG-CG 3.76Å; W496-Q715 HydrophobicContact CZ2-CB 4.24Å; F527-Q715 HydrophobicContact CE1-CB 4.27Å; F527-Q715 HydrophobicContact CZ-CB 4.23Å; F527-Q715 HydrophobicContact CZ-CG 4.03Å; W710-Q715 HydrophobicContact CD2-CG 4.48Å; W710-Q715 HydrophobicContact CE3-CG 3.86Å; W710-Q715 VanDerWaalsContact CE3-NE2 3.34Å; W710-Q715 VanDerWaalsContact CZ2-NE2 3.25Å; W710-Q715 HydrophobicContact CZ3-CG 3.99Å; G713-Q715 PolarHBondContact O-NE2 3.31Å; G713-Q715 PolarHBondContact O-OE1 2.65Å
716	M	96.5	Very high	93.7	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	145.9	-170.5	-52.6	-58.4	-68.3	0	0	110.1	P483 A484 R485 W496 M691 Y692 A709 D711 H714	P483-M716 HydrophobicContact CB-CE 3.79Å; A484-M716 CarbonylContact O-C 3.59Å; A484-M716 WeakPolarHBondContact O-CA 3.45Å; R485-M716 HydrophobicContact CB-CE 3.89Å; R485-M716 HydrophobicContact CB-SD 3.68Å; R485-M716 HydrophobicContact CG-SD 3.78Å; W496-M716 WeakPolarHBondContact CZ2-O 3.29Å; M691-M716 HydrophobicContact CB-CE 4.31Å; M691-M716 HydrophobicContact CG-CE 4.17Å; Y692-M716 HydrophobicContact CD2-SD 4.48Å; Y692-M716 HydrophobicContact CE2-CE 4.39Å; Y692-M716 HydrophobicContact CE2-SD 4.01Å; A709-M716 HydrophobicContact CB-CB 4.47Å; A709-M716 PolarHBondContact N-O 3.45Å; A709-M716 PolarHBondContact O-N 3.15Å; D711-M716 HydrophobicContact CB-CG 4Å; H714-M716 HydrophobicContact CB-CG 4.41Å; H714-M716 HydrophobicContact CB-SD 3.89Å
717	N	96.4	Very high	93.6	Very high	15 Å²	15	35.9 Å²	35.9	8%	0.08	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	152.5	167.8	68.5	-25.2	0	0	0	112.8	A484 Q486 W496 L707	A484-N717 WeakPolarHBondContact CB-OD1 3.28Å; A484-N717 PolarHBondContact N-O 2.98Å; A484-N717 PolarHBondContact O-N 3.27Å; A484-N717 PolarHBondContact O-OD1 2.93Å; Q486-N717 PolarHBondContact NE2-OD1 3.03Å; W496-N717 HydrophobicContact CZ2-CB 4.27Å; L707-N717 WeakPolarHBondContact O-CA 3.48Å; L707-N717 WeakPolarHBondContact O-CB 3.43Å
718	Y	97.8	Very high	93.4	Very high	1 Å²	1	38 Å²	38	0%	0.004	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	140.5	178.3	-47.1	-107.7	0	0	0	109.1	I480 P483 F688 T689 K706 L707 A709	I480-Y718 HydrophobicContact CG2-CD1 3.78Å; I480-Y718 HydrophobicContact CG2-CG 3.9Å; P483-Y718 HydrophobicContact CB-CD1 3.96Å; P483-Y718 HydrophobicContact CB-CE1 3.43Å; P483-Y718 VanDerWaalsContact CB-CE1 3.43Å; P483-Y718 HydrophobicContact CG-CE1 3.94Å; F688-Y718 HydrophobicContact CD2-CE1 4.33Å; F688-Y718 HydrophobicContact CE2-CD1 4.12Å; F688-Y718 HydrophobicContact CE2-CD2 4.23Å; F688-Y718 AromaticContact CE2-CE1 3.82Å; F688-Y718 HydrophobicContact CE2-CE1 3.82Å; F688-Y718 AromaticContact CE2-CE2 3.96Å; F688-Y718 HydrophobicContact CE2-CE2 3.96Å; F688-Y718 HydrophobicContact CE2-CG 4.33Å; F688-Y718 AromaticContact CE2-CZ 3.76Å; F688-Y718 HydrophobicContact CZ-CD2 4.42Å; F688-Y718 HydrophobicContact CZ-CE1 4.07Å; F688-Y718 AromaticContact CZ-CE2 3.74Å; F688-Y718 HydrophobicContact CZ-CE2 3.74Å; F688-Y718 AromaticContact CZ-CZ 3.55Å; T689-Y718 PolarHBondContact O-OH 2.87Å; K706-Y718 WeakPolarHBondContact CA-O 3.43Å; K706-Y718 WeakPolarHBondContact CB-O 3.4Å; K706-Y718 WeakPolarHBondContact CG-O 3.36Å; L707-Y718 HydrophobicContact CB-CD2 3.97Å; L707-Y718 PolarHBondContact N-O 3.23Å; L707-Y718 PolarHBondContact O-N 3.08Å; A709-Y718 HydrophobicContact CB-CE2 3.7Å
719	D	96.6	Very high	93.1	Very high	77 Å²	77	40 Å²	40	41%	0.412	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	131.9	166.7	-78.5	-76.4	0	0	0	109.9	S481 K706	S481-D719 PolarHBondContact N-O 2.89Å; S481-D719 PolarHBondContact OG-N 3.15Å; K706-D719 WeakPolarHBondContact CE-OD1 3.45Å; K706-D719 IonicContact NZ-OD1 3.48Å; K706-D719 PolarHBondContact NZ-OD1 3.29Å; K706-D719 IonicContact NZ-OD2 3.93Å; K706-D719 PolarHBondContact NZ-OD2 2.84Å
720	V	95.1	Very high	92.9	Very high	13 Å²	13	42.7 Å²	42.7	8%	0.079	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	120.6	176.1	-174.2	0	0	0	0	108.5	V477 Y700 K705 L707 F722	V477-V720 HydrophobicContact CB-CG1 4.35Å; V477-V720 HydrophobicContact CG1-CG1 3.8Å; V477-V720 HydrophobicContact CG2-CG1 3.78Å; Y700-V720 HydrophobicContact CD2-CG2 4.39Å; Y700-V720 HydrophobicContact CE2-CG2 4.29Å; K705-V720 PolarHBondContact O-N 3.09Å; L707-V720 HydrophobicContact CD1-CG2 4.46Å; L707-V720 HydrophobicContact CD2-CG2 4.36Å; L707-V720 HydrophobicContact CG-CG2 3.81Å; V720-F722 HydrophobicContact CB-CD2 4.48Å; V720-F722 HydrophobicContact CB-CE2 3.71Å; V720-F722 HydrophobicContact CB-CZ 4.07Å; V720-F722 HydrophobicContact CG1-CD2 4.1Å; V720-F722 HydrophobicContact CG1-CE1 4.18Å; V720-F722 HydrophobicContact CG1-CE2 3.53Å; V720-F722 HydrophobicContact CG1-CZ 3.6Å; V720-F722 WeakPolarHBondContact O-CD2 3.45Å; V720-F722 VanDerWaalsContact O-CE2 3.32Å; V720-F722 WeakPolarHBondContact O-CE2 3.48Å
721	I	93.4	Very high	92.6	Very high	88 Å²	88	45.7 Å²	45.7	45%	0.451	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127	177.6	-57.6	174.6	0	0	0	107.8	A478 S479	A478-I721 PolarHBondContact N-O 3.23Å; S479-I721 PolarHBondContact N-O 3.31Å; S479-I721 VanDerWaalsContact N-O 3.12Å; S479-I721 PolarHBondContact O-N 3.21Å
722	F	91.8	Very high	92.3	Very high	21 Å²	21	49.2 Å²	49.2	9%	0.092	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	149.6	-174	-60.8	-105	0	0	0	111.6	D475 T476 V477 V653 Y700 K705 V720	D475-F722 HydrophobicContact CB-CB 3.57Å; D475-F722 HydrophobicContact CB-CD1 3.76Å; D475-F722 HydrophobicContact CB-CG 3.99Å; D475-F722 WeakPolarHBondContact O-CD1 3.23Å; T476-F722 CarbonylContact O-C 3.59Å; T476-F722 VanDerWaalsContact O-CA 3.27Å; T476-F722 WeakPolarHBondContact O-CA 3.29Å; V477-F722 HydrophobicContact CG2-CE1 4.48Å; V653-F722 HydrophobicContact CG1-CE1 3.6Å; V653-F722 HydrophobicContact CG1-CZ 4.09Å; Y700-F722 HydrophobicContact CE2-CZ 4.47Å; K705-F722 HydrophobicContact CB-CE2 4.14Å; K705-F722 HydrophobicContact CB-CZ 4.47Å; K705-F722 HydrophobicContact CD-CD2 4.41Å; K705-F722 HydrophobicContact CD-CE2 3.65Å; K705-F722 HydrophobicContact CD-CZ 3.87Å; K705-F722 HydrophobicContact CG-CE2 4.33Å; K705-F722 HydrophobicContact CG-CZ 4.4Å; V720-F722 HydrophobicContact CB-CD2 4.48Å; V720-F722 HydrophobicContact CB-CE2 3.71Å; V720-F722 HydrophobicContact CB-CZ 4.07Å; V720-F722 HydrophobicContact CG1-CD2 4.1Å; V720-F722 HydrophobicContact CG1-CE1 4.18Å; V720-F722 HydrophobicContact CG1-CE2 3.53Å; V720-F722 HydrophobicContact CG1-CZ 3.6Å; V720-F722 WeakPolarHBondContact O-CD2 3.45Å; V720-F722 VanDerWaalsContact O-CE2 3.32Å; V720-F722 WeakPolarHBondContact O-CE2 3.48Å
723	A	82.8	Confident	92.1	Very high	50 Å²	50	47 Å²	47	41%	0.413	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	136.4	164.9	0	0	0	0	0	109.6	D475 T476 A478	D475-A723 WeakPolarHBondContact CA-O 3.43Å; D475-A723 WeakPolarHBondContact CB-O 3.29Å; T476-A723 PolarHBondContact N-O 3.11Å; T476-A723 PolarHBondContact O-N 2.63Å; A478-A723 HydrophobicContact CB-CB 3.93Å
724	Y	66	Low	91.9	Very high	250 Å²	250	50.5 Å²	50.5	98%	0.98	25%	0.245	S	C	*	.			trans	-105.9	0	176.9	-61.4	-74.8	0	0	0	111.3	D475	D475-Y724 HydrophobicContact CB-CD1 4.27Å; D475-Y724 HydrophobicContact CB-CE1 4.38Å

Retrieved 724 of 724 residues in 113.9 ms (Link to these results)

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