A0A087YH80_POEFO Loading...

Round spermatid basic protein 1 like

AlphaFold DB , UniProt , Accession A0A087YH80, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,137 aa.

						>A0A087YH80_POEFO|A0A087YH80
MAESVDSMHFAANSKTNSPKPLLAKRPPESRPQSSSDIFPPTPKKVRVEEKGLKHRKLNGEVCAGEKHNGKQSCGSPAKWSFGPAKASHSTASAMPTTPVRKIFKISNFLASPPKVKKAKEKRHKEKERSSEAPRSSAAAVERVSPASCNTKTENGDVKTLQRDHSVKEKDRQKKKEKNKEWNKHKLPPVHDIVRENGEVMSPQKESKEVLSVGSEEELLLKKLKKKKKKKHKDSEWVKERHSRPKMYHRSCQTVCSGVTLGLPEFLGRINGDSSSSGLIHSTTIPQHFQDPAAAAAAAASPPTMSSIVRDRLSYGCTATAGLPGLEFSHLIHIEQQANGGASVVHAYTEELSCLSPAEMQRFAEEFVSLSFSEDGAQGARFVMGIIHGAASYLPDFLDYFSYKFPNATVKMEVLGKKDIETTTMATFHSQVKRTYSRGTYRAGAMRQVSLVGAVDEEVGDYFPEFLSMLEESPFLVRTLPWGTFSSLRLQSPTESDDGPIMWVRPGEQMIPMADMPKSPFKRKRSTNEIKNLQYLPRTSEPREMLFEDRTRAHADHIGQGFERQTTAAVGVLKAVRCGEDSDTPARITKDVVCFHAGDFPDVVMRLQLDLHEPPLSQCVQWIDDAKLNQLRREGIRYARIQLYHDDIYFIPRGVVHQFKTVSAVCSLAWHIRLKQYHQQEERKEQEEEEKFSLSEALHRVKQEEDVEEEGNKCDFAVQTVRKVEDEDMEGREEAPSQTLTHHFKEEEEDGQEEMKELLGTQPLPLVQNESEEVVFSPTSMEIKVEELQEDRKGGAETNQRLAGREDSGQDAAFLKASHQVKKESDVEEERQPKAALPDKTKDDTTSAPSTPQIKKEKDKGKRERDERERTKEKKEKDRSKDKEKKDRGKDREREKVKTEGGRDGGALILTQIKKKEDEERTKEGSRGCPTAPAAQRDEKWAKEADSKTQTNLKRDKEHDKDRGAPPSRPDREDGRDGGSHKNKSTHGKKEKSGHKEGKDTSVSSAKPGREDGKTHKHPQLQAKKDGKKEKDGGREEIRKKPEHKPARTLFTFDLFKPLEAHQPLTLSLSDSRPKPHTDPRGPSSKPGSDARTLVPSKGPKVKDSLQGKPAAAAGLQDSLKQPLRTQTPQTQKDFSI
					

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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	32.6	Very low	30.1	Very low	252 Å²	252	146.4 Å²	146.4	100%	1.241	81%	0.814	S	S	*	*				0	143.1	0	-73.1	178	171.8	0	0	107.2
2	A	31.2	Very low	30	Very low	96 Å²	96	142.1 Å²	142.1	79%	0.793	81%	0.811	S	S	*	*			trans	-104.2	-163	-156.6	0	0	0	0	0	113.4
3	E	32.5	Very low	29.8	Very low	186 Å²	186	142.8 Å²	142.8	87%	0.869	81%	0.811	S	S	*	*			trans	79.1	141.8	170.8	-57.1	-172.9	157.5	0	0	118.3
4	S	33.5	Very low	29.7	Very low	110 Å²	110	139.4 Å²	139.4	77%	0.769	80%	0.801	S	S	*	*			cis	-166	158.9	-35	-118.5	0	0	0	0	113.1
5	V	33.4	Very low	29.7	Very low	133 Å²	133	143.1 Å²	143.1	81%	0.806	80%	0.804	S	S	*	*			trans	-56.5	166.1	158	-78.4	0	0	0	0	113.2
6	D	29.3	Very low	29.6	Very low	138 Å²	138	141.6 Å²	141.6	74%	0.738	80%	0.8	S	S	*	*			cis	-172.3	173.3	-19.8	174.4	43.2	0	0	0	108.3
7	S	29.8	Very low	29.4	Very low	83 Å²	83	141.6 Å²	141.6	58%	0.58	80%	0.797	S	S	*	*			trans	89.3	164.8	137.7	-116.1	0	0	0	0	124
8	M	28.1	Very low	29.3	Very low	159 Å²	159	139.9 Å²	139.9	78%	0.783	80%	0.796	S	S	*	*			trans	66.4	115.2	167.5	-67.3	-167.2	-74.3	0	0	118.4
9	H	28.2	Very low	30	Very low	157 Å²	157	138.9 Å²	138.9	73%	0.727	80%	0.795	S	S	*	*				90.1	112.7	56.5	-77	-4	0	0	0	113.9
10	F	25.8	Very low	30	Very low	207 Å²	207	141.9 Å²	141.9	91%	0.908	80%	0.798	S	S	*	*				179.5	177.6	106.5	-110.9	-83.7	0	0	0	111.6
11	A	26.9	Very low	31.1	Very low	89 Å²	89	140.3 Å²	140.3	74%	0.736	79%	0.794	S	S	*	*			trans	-133.7	161.9	-178	0	0	0	0	0	112.2
12	A	29.2	Very low	31	Very low	95 Å²	95	136 Å²	136	79%	0.785	78%	0.775	S	S	*	*			trans	148.9	108.8	137.8	0	0	0	0	0	117.3
13	N	27	Very low	31	Very low	152 Å²	152	139 Å²	139	81%	0.813	78%	0.777	S	S	*	*				72.7	163.3	116.2	-149.5	2	0	0	0	123
14	S	28.7	Very low	30.9	Very low	95 Å²	95	133.8 Å²	133.8	66%	0.664	77%	0.766	S	S	*	*			trans	84.8	114.4	173.2	77.7	0	0	0	0	117.1
15	K	29.2	Very low	30.7	Very low	194 Å²	194	138.4 Å²	138.4	84%	0.843	77%	0.772	S	S	*	*				79.2	141.5	78.7	-71.2	171.3	179.8	178	0	112.3
16	T	27.9	Very low	30.4	Very low	120 Å²	120	143.4 Å²	143.4	74%	0.736	78%	0.777	S	S	*	*			cis	-154.6	150.8	25.4	48.6	0	0	0	0	116.6
17	N	26	Very low	31.7	Very low	142 Å²	142	142 Å²	142	76%	0.759	78%	0.775	S	S	*	*			trans	47.9	118.7	137.7	-63.9	-23.1	0	0	0	127.3
18	S	27.6	Very low	32.9	Very low	111 Å²	111	143.6 Å²	143.6	78%	0.776	78%	0.784	S	S	*	*				70.1	167.6	127.6	79.9	0	0	0	0	121.3
19	P	42.5	Very low	33.3	Very low	120 Å²	120	144.5 Å²	144.5	78%	0.779	79%	0.786	S	S	*	*			cis	-130.7	-166.6	-1.7	43.5	-26.8	0	0	0	116
20	K	31.6	Very low	33.4	Very low	198 Å²	198	142.5 Å²	142.5	86%	0.861	79%	0.789	S	S	*	*			trans	-112.8	-172.8	165.8	-62.2	-179.2	177.1	175	0	108.9
21	P	52.1	Low	33.6	Very low	110 Å²	110	143.9 Å²	143.9	71%	0.714	79%	0.789	S	S	*	*			cis	-135.2	-171.7	-6.9	43.5	-26.5	0	0	0	114.9
22	L	30.9	Very low	34.6	Very low	160 Å²	160	144.2 Å²	144.2	84%	0.838	78%	0.783	S	S	*	*				-175.1	-178.4	124.8	-100.3	172.6	0	0	0	114.6
23	L	30.7	Very low	34.6	Very low	159 Å²	159	147.9 Å²	147.9	83%	0.832	78%	0.784	S	S	*	*			trans	-80	176.5	-164.3	-98.4	75	0	0	0	115.3
24	A	30.6	Very low	34.8	Very low	77 Å²	77	145 Å²	145	64%	0.636	78%	0.776	S	S	*	*			cis	-164.3	160.7	34.4	0	0	0	0	0	118.9
25	K	28.5	Very low	35.1	Very low	208 Å²	208	145.5 Å²	145.5	90%	0.904	78%	0.78	S	S	*	*			trans	83.1	153.9	145	-76.3	170.7	-179	-179.9	0	123.2
26	R	28.7	Very low	35.3	Very low	238 Å²	238	141.7 Å²	141.7	90%	0.898	78%	0.777	S	S	*	*			trans	-163.7	-177	-172.1	-115	-168.4	-175.2	-176.3	3.3	106.6
27	P	56.6	Low	35.4	Very low	107 Å²	107	143.3 Å²	143.3	70%	0.695	78%	0.782	S	S	*	*			cis	-111.6	-132.5	1	35.4	-13.5	0	0	0	108.9
28	P	54.7	Low	35.6	Very low	118 Å²	118	143.9 Å²	143.9	77%	0.766	78%	0.783	S	S	*	*			cis	-128.7	-143.3	-14	41.8	-21.2	0	0	0	113.4
29	E	36.7	Very low	35.9	Very low	177 Å²	177	147.9 Å²	147.9	83%	0.827	79%	0.787	S	S	*	*				-162.5	171	-93.9	-167.2	151	-129	0	0	113.1
30	S	30.4	Very low	36.8	Very low	115 Å²	115	147.6 Å²	147.6	80%	0.804	79%	0.785	S	S	*	*			trans	93.7	-173.9	159.5	86	0	0	0	0	122.2
31	R	29.2	Very low	37.8	Very low	236 Å²	236	143.7 Å²	143.7	89%	0.891	78%	0.78	S	S	*	*			trans	-178.6	-176.2	-142.3	-112.8	177.6	-177.4	-168	1.3	110.8
32	P	48.3	Very low	37.4	Very low	96 Å²	96	144.3 Å²	144.3	62%	0.623	78%	0.782	S	S	*	*			cis	-138.7	-167.9	-10.5	34.6	-11	0	0	0	116.1
33	Q	29.7	Very low	38.3	Very low	172 Å²	172	142.1 Å²	142.1	80%	0.804	78%	0.777	S	S	*	*			trans	69.8	120.3	139.7	-92.4	173.2	-98.1	0	0	125.9
34	S	31.2	Very low	38.5	Very low	92 Å²	92	143.2 Å²	143.2	64%	0.643	78%	0.775	S	S	*	*				54.8	134.6	128.9	62.7	0	0	0	0	127
35	S	35.3	Very low	38.7	Very low	106 Å²	106	148.3 Å²	148.3	74%	0.741	78%	0.783	S	S	*	*			trans	97.1	144.7	132.3	71.6	0	0	0	0	123.5
36	S	31.8	Very low	38.8	Very low	113 Å²	113	144.3 Å²	144.3	79%	0.79	78%	0.775	S	S	*	*			trans	64.5	150.7	162.2	60.6	0	0	0	0	119.3
37	D	30.9	Very low	38.8	Very low	155 Å²	155	143.4 Å²	143.4	83%	0.829	77%	0.772	S	S	*	*			cis	-165.5	-164.4	-27.8	-144.7	-52.2	0	0	0	109.3
38	I	30.3	Very low	37.5	Very low	153 Å²	153	143.3 Å²	143.3	79%	0.785	77%	0.769	S	S	*	*			trans	89.1	123.5	159.8	-49.2	-175.2	0	0	0	119.8
39	F	34.3	Very low	36.3	Very low	196 Å²	196	145.5 Å²	145.5	86%	0.86	77%	0.769	S	S	*	*			trans	-104.7	163.5	161.3	-94	-80.3	0	0	0	109.5
40	P	61.4	Low	36.1	Very low	114 Å²	114	144.8 Å²	144.8	74%	0.74	77%	0.766	S	S	*	*			cis	-140.6	-134.8	48.7	34.9	-8.3	0	0	0	111
41	P	51.9	Low	36.3	Very low	116 Å²	116	145.9 Å²	145.9	75%	0.753	76%	0.756	S	S	*	*			cis	-133.5	-165.2	-16.9	42	-22.4	0	0	0	115.2
42	T	43.5	Very low	36.3	Very low	123 Å²	123	138 Å²	138	76%	0.755	75%	0.749	S	S	*	*			trans	-149.5	157.2	169.6	59.1	0	0	0	0	112.6
43	P	50.2	Low	35.5	Very low	114 Å²	114	141.6 Å²	141.6	74%	0.74	76%	0.762	S	S	*	*			trans	-137	148.4	132	13.1	10.2	0	0	0	113
44	K	35	Very low	35.6	Very low	181 Å²	181	142.2 Å²	142.2	79%	0.787	76%	0.762	S	S	*	*				65.1	139.2	67.3	-61.2	168.6	-175.6	167.5	0	112.8
45	K	34.8	Very low	35.5	Very low	184 Å²	184	146 Å²	146	80%	0.8	77%	0.769	S	S	*	*			cis	-168.4	149.1	7.2	-122	179.1	178.1	-175.3	0	111.5
46	V	29.7	Very low	35.2	Very low	124 Å²	124	150.6 Å²	150.6	75%	0.752	77%	0.77	S	S	*	*			trans	43.1	126.8	136.9	175	0	0	0	0	122.2
47	R	28.6	Very low	35.3	Very low	219 Å²	219	154.3 Å²	154.3	83%	0.826	77%	0.772	S	S	*	*				163.4	149.6	103.5	-145.3	-173.6	151.7	81.1	2.6	116.6
48	V	30.5	Very low	35.2	Very low	105 Å²	105	154.7 Å²	154.7	64%	0.636	77%	0.773	S	S	*	*			trans	81.6	164.4	141.2	125.1	0	0	0	0	123.3
49	E	28.4	Very low	35	Very low	165 Å²	165	154.9 Å²	154.9	77%	0.771	78%	0.775	S	S	*	*			trans	-70.5	-179	-174.4	-62.2	164.5	104.9	0	0	113.1
50	E	32	Very low	34.6	Very low	162 Å²	162	148.6 Å²	148.6	76%	0.757	77%	0.766	S	S	*	*			cis	-162	-148.2	37.1	-148.9	-133.8	103.6	0	0	115
51	K	35.1	Very low	33	Very low	138 Å²	138	151.7 Å²	151.7	60%	0.6	77%	0.771	S	S	*	*			trans	-98.3	165.5	-163.8	-59.9	168.9	-179	171.8	0	115.1	E154 N155	K51-E154 IonicContact NZ-OE1 2.85Å; K51-E154 PolarHBondContact NZ-OE1 3.02Å; K51-N155 PolarHBondContact NZ-ND2 2.91Å
52	G	29.9	Very low	31.8	Very low	71 Å²	71	150 Å²	150	73%	0.732	76%	0.758	S	S	*	*			trans	118.3	159.8	164.4	0	0	0	0	0	114.4
53	L	30.2	Very low	31.1	Very low	171 Å²	171	148.6 Å²	148.6	90%	0.895	75%	0.752	S	S	*	*			cis	-159.2	-175.5	-20.6	-126.9	166.3	0	0	0	107.8
54	K	31.8	Very low	30.2	Very low	184 Å²	184	145.7 Å²	145.7	80%	0.8	74%	0.738	S	S	*	*			trans	-93.4	148.7	-170.1	-57.1	168.8	-174.8	169.9	0	113.2
55	H	29.8	Very low	29.8	Very low	171 Å²	171	140.4 Å²	140.4	79%	0.792	73%	0.734	S	S	*	*			trans	177.7	171.6	133.5	-102	-154.6	0	0	0	111
56	R	29.3	Very low	29.4	Very low	203 Å²	203	139.1 Å²	139.1	77%	0.766	73%	0.732	S	S	*	*			cis	-178.6	103.7	-47.6	171.9	-173.3	160.1	171.5	-4.9	108.8
57	K	33.5	Very low	29.4	Very low	192 Å²	192	140.4 Å²	140.4	84%	0.835	73%	0.727	S	S	*	*			trans	53.7	159.6	158.2	-73.1	-164.6	172.4	-168	0	121.4
58	L	28.6	Very low	29.5	Very low	163 Å²	163	138.2 Å²	138.2	85%	0.853	73%	0.726	S	S	*	*			trans	112	142.7	157.9	-61.9	171.3	0	0	0	114.8
59	N	26.5	Very low	29.3	Very low	156 Å²	156	140.3 Å²	140.3	83%	0.834	73%	0.733	S	S	*	*			cis	-164.8	153.4	-31.1	-160	32.7	0	0	0	110.9
60	G	26.8	Very low	29.3	Very low	64 Å²	64	135.5 Å²	135.5	66%	0.66	73%	0.728	S	S	*	*			trans	76.9	167	164.8	0	0	0	0	0	118.3
61	E	26.5	Very low	29.3	Very low	179 Å²	179	137.7 Å²	137.7	84%	0.836	74%	0.735	S	S	*	*			cis	-166.5	179.4	-15.7	-143.6	-155	112	0	0	113.7
62	V	26.1	Very low	29	Very low	80 Å²	80	140.1 Å²	140.1	49%	0.485	75%	0.749	S	S	.	*			trans	70.6	87.1	163.8	-167.6	0	0	0	0	122.5	Q173	V62-Q173 PolarHBondContact O-NE2 2.86Å
63	C	29.9	Very low	28.7	Very low	94 Å²	94	142.4 Å²	142.4	64%	0.635	75%	0.753	S	S	*	*			trans	2.4	152	131.9	-61.4	0	0	0	0	126.6	Q173 K174	C63-Q173 VanDerWaalsContact C-NE2 3.27Å; C63-Q173 PolarHBondContact O-NE2 2.73Å; C63-K174 PolarHBondContact O-NZ 2.88Å
64	A	30.8	Very low	28.5	Very low	54 Å²	54	140.6 Å²	140.6	45%	0.446	75%	0.754	S	S	.	*			trans	60.6	142.7	161.5	0	0	0	0	0	119.2	Q173 K174	A64-Q173 PolarHBondContact O-NE2 3.12Å; A64-Q173 PolarHBondContact O-OE1 3.48Å; A64-K174 WeakPolarHBondContact O-CE 3.32Å; A64-K174 PolarHBondContact O-NZ 3.31Å
65	G	27.3	Very low	28.2	Very low	69 Å²	69	135.5 Å²	135.5	71%	0.711	75%	0.753	S	S	*	*			cis	175.8	-168.6	5.4	0	0	0	0	0	108.3
66	E	27.3	Very low	28.3	Very low	158 Å²	158	133.1 Å²	133.1	74%	0.738	76%	0.756	S	S	*	*			cis	-172.9	165.6	-4.4	-154.4	-172.1	104.9	0	0	109.9
67	K	29.1	Very low	28.9	Very low	151 Å²	151	129.6 Å²	129.6	66%	0.657	76%	0.759	S	S	*	*			trans	70.1	151	165.9	-61.2	-176.6	179.4	-161.7	0	118.1
68	H	30.1	Very low	28.6	Very low	173 Å²	173	125.1 Å²	125.1	80%	0.801	76%	0.758	S	S	*	*			cis	-150.7	179.8	-2.9	-121.9	-36.7	0	0	0	112.2
69	N	26.9	Very low	28.7	Very low	148 Å²	148	125.9 Å²	125.9	79%	0.791	75%	0.754	S	S	*	*			trans	-38.1	164.5	176.3	-52	-30.4	0	0	0	117.9
70	G	28.3	Very low	28.6	Very low	64 Å²	64	128.6 Å²	128.6	66%	0.66	75%	0.753	S	S	*	*			cis	-178.8	150.2	2.1	0	0	0	0	0	109.9
71	K	30.8	Very low	28.6	Very low	208 Å²	208	129.6 Å²	129.6	90%	0.904	75%	0.75	S	S	*	*				42	134.5	98.4	-69.6	-170.3	178.3	-176.9	0	114.9
72	Q	30.4	Very low	28.6	Very low	190 Å²	190	130.9 Å²	130.9	89%	0.888	75%	0.753	S	S	*	*			cis	-142.2	173.1	27.1	-62.8	171.9	-89.1	0	0	114
73	S	23.9	Very low	28.6	Very low	119 Å²	119	130.2 Å²	130.2	83%	0.832	76%	0.763	S	S	*	*			trans	-144.1	167.8	150.9	-170.7	0	0	0	0	110.1
74	C	25.2	Very low	29	Very low	133 Å²	133	132.1 Å²	132.1	90%	0.899	77%	0.774	S	S	*	*			trans	-74.6	167.3	-152.5	-57.8	0	0	0	0	117.4
75	G	24.7	Very low	28.8	Very low	77 Å²	77	133.6 Å²	133.6	79%	0.794	79%	0.786	S	S	*	*			trans	-164.9	120.2	168.6	0	0	0	0	0	113.9
76	S	33.5	Very low	28.7	Very low	121 Å²	121	139.8 Å²	139.8	85%	0.846	79%	0.793	S	S	*	*			trans	-121.4	176.4	170.1	-76.1	0	0	0	0	108
77	P	40.5	Very low	28.7	Very low	128 Å²	128	136.8 Å²	136.8	83%	0.831	80%	0.795	S	S	*	*			cis	-135.4	-164.4	13	42.9	-23.5	0	0	0	114.9
78	A	28.4	Very low	28.6	Very low	98 Å²	98	133.5 Å²	133.5	81%	0.81	79%	0.792	S	S	*	*			trans	-120.2	169	-178.4	0	0	0	0	0	113.9
79	K	30.1	Very low	28.5	Very low	180 Å²	180	133.7 Å²	133.7	78%	0.783	79%	0.792	S	S	*	*			trans	-146	125.4	170.3	-90.3	-161	174.3	-172.6	0	115
80	W	24.3	Very low	28.5	Very low	213 Å²	213	130.9 Å²	130.9	81%	0.807	79%	0.785	S	S	*	*			trans	72.7	103.4	130.5	-72	35.2	0	0	0	122.3
81	S	26.6	Very low	28.3	Very low	85 Å²	85	134.2 Å²	134.2	59%	0.594	79%	0.792	S	S	*	*				96.3	147.3	108.9	74.7	0	0	0	0	123.4
82	F	26.4	Very low	28.1	Very low	205 Å²	205	128.5 Å²	128.5	90%	0.899	78%	0.784	S	S	*	*			trans	74.8	132.8	164.9	-64.1	-73.8	0	0	0	121.5
83	G	26.5	Very low	27.8	Very low	67 Å²	67	125.3 Å²	125.3	69%	0.691	78%	0.782	S	S	*	*			trans	-101.1	-164.3	166.4	0	0	0	0	0	112.2
84	P	39	Very low	27.9	Very low	133 Å²	133	123.9 Å²	123.9	86%	0.864	78%	0.778	S	S	*	*				-156.7	-175.1	75.6	42	-22.2	0	0	0	118
85	A	24.8	Very low	28.1	Very low	85 Å²	85	126.1 Å²	126.1	70%	0.702	78%	0.777	S	S	*	*			trans	101.5	120.8	140.5	0	0	0	0	0	122.5
86	K	26.7	Very low	28.8	Very low	199 Å²	199	127.6 Å²	127.6	87%	0.865	77%	0.773	S	S	*	*			trans	60.3	116.9	146.9	-64.1	-174.9	178.5	-174.1	0	118.2
87	A	25.5	Very low	28.5	Very low	95 Å²	95	128 Å²	128	79%	0.785	77%	0.771	S	S	*	*				72.6	143.6	77.6	0	0	0	0	0	113
88	S	27.8	Very low	28.2	Very low	83 Å²	83	128.2 Å²	128.2	58%	0.58	77%	0.77	S	S	*	*			cis	-163.6	161.3	26.2	-154.1	0	0	0	0	113.6
89	H	28.6	Very low	28.7	Very low	176 Å²	176	128.6 Å²	128.6	82%	0.815	76%	0.764	S	S	*	*			trans	61.4	169.6	164.3	-50.1	-57.8	0	0	0	118.9
90	S	26.3	Very low	28.5	Very low	90 Å²	90	125.3 Å²	125.3	63%	0.629	76%	0.759	S	S	*	*			cis	177.1	161.6	-42.5	-168	0	0	0	0	107.6
91	T	25.2	Very low	28.7	Very low	134 Å²	134	126 Å²	126	82%	0.822	76%	0.761	S	S	*	*			trans	65.8	155.4	171	71.2	0	0	0	0	117.3
92	A	25.5	Very low	28.8	Very low	88 Å²	88	130.7 Å²	130.7	73%	0.727	77%	0.771	S	S	*	*			cis	-170.6	166.7	-31	0	0	0	0	0	110.4
93	S	23.9	Very low	29	Very low	122 Å²	122	127.9 Å²	127.9	85%	0.853	76%	0.764	S	S	*	*			trans	82.3	162.6	151.1	-150.7	0	0	0	0	120.5
94	A	25.8	Very low	29.1	Very low	90 Å²	90	132.6 Å²	132.6	74%	0.744	77%	0.766	S	S	*	*			trans	68.1	83.5	160.1	0	0	0	0	0	120.5
95	M	30.9	Very low	28.5	Very low	179 Å²	179	134.3 Å²	134.3	88%	0.882	76%	0.759	S	S	*	*				-69	162	125	-72.7	-71.9	176.8	0	0	108.6
96	P	39.5	Very low	28.8	Very low	108 Å²	108	137.6 Å²	137.6	70%	0.701	76%	0.763	S	S	*	*			cis	-146	-151.2	30.3	38.5	-14	0	0	0	114.8
97	T	25.6	Very low	28.9	Very low	130 Å²	130	132.5 Å²	132.5	80%	0.798	75%	0.753	S	S	*	*			trans	85	114.2	168.9	69.4	0	0	0	0	118.2
98	T	34.2	Very low	29	Very low	132 Å²	132	134.7 Å²	134.7	81%	0.81	75%	0.751	S	S	*	*			trans	-79.4	159.4	146.7	60.7	0	0	0	0	107.8
99	P	39	Very low	29.1	Very low	106 Å²	106	139.7 Å²	139.7	69%	0.688	76%	0.763	S	S	*	*				-157.1	145.8	84	40.4	-20	0	0	0	118.1
100	V	26.6	Very low	29	Very low	112 Å²	112	139.7 Å²	139.7	68%	0.679	77%	0.768	S	S	*	*				71.7	146.6	129.5	170.2	0	0	0	0	121.4
101	R	28.7	Very low	28.9	Very low	226 Å²	226	139.8 Å²	139.8	85%	0.853	77%	0.774	S	S	*	*			trans	70	147.5	169.3	-75.5	150.5	-154.9	170.3	5.9	115.5
102	K	28	Very low	29	Very low	185 Å²	185	138.5 Å²	138.5	80%	0.804	77%	0.771	S	S	*	*			cis	163.7	171.7	-18.8	-113.5	-170.6	-180	-174.1	0	104
103	I	30.8	Very low	30.2	Very low	145 Å²	145	139.7 Å²	139.7	74%	0.744	77%	0.771	S	S	*	*			trans	89.1	105.6	158.2	-63.5	139.1	0	0	0	119.2
104	F	27.6	Very low	31.2	Very low	167 Å²	167	138.3 Å²	138.3	73%	0.732	76%	0.76	S	S	*	*			trans	62.1	114.1	134.5	-78.4	-126.3	0	0	0	123.5
105	K	27.3	Very low	31.3	Very low	168 Å²	168	143.9 Å²	143.9	73%	0.73	77%	0.767	S	S	*	*				63.6	141.6	102.8	-114.3	176	178.3	177	0	120.7
106	I	30.8	Very low	31.4	Very low	154 Å²	154	141.1 Å²	141.1	79%	0.79	76%	0.76	S	S	*	*			trans	97.9	147.3	150.1	-62.6	158.6	0	0	0	118.4
107	S	29.1	Very low	30.9	Very low	93 Å²	93	145.8 Å²	145.8	65%	0.65	77%	0.769	S	S	*	*			trans	-69.5	153.1	-157.8	58.7	0	0	0	0	120.1
108	N	27.8	Very low	31.1	Very low	140 Å²	140	148.9 Å²	148.9	75%	0.749	77%	0.772	S	S	*	*				35.2	128.8	129	-68.3	-9.9	0	0	0	121.9
109	F	29.3	Very low	30.9	Very low	188 Å²	188	146.5 Å²	146.5	83%	0.825	77%	0.765	S	S	*	*			trans	68.2	111.5	144.1	-84	-109.1	0	0	0	120.2
110	L	27.1	Very low	30.4	Very low	177 Å²	177	149.4 Å²	149.4	93%	0.927	77%	0.767	S	S	*	*				170.2	-165.6	116.4	-86	174.3	0	0	0	111.7
111	A	23.7	Very low	30.3	Very low	91 Å²	91	148.9 Å²	148.9	75%	0.752	76%	0.757	S	S	*	*			trans	-141.5	-176	-162.1	0	0	0	0	0	112.4
112	S	27.3	Very low	30.4	Very low	108 Å²	108	145.6 Å²	145.6	76%	0.755	75%	0.749	S	S	*	*			cis	-162.9	152.8	18	-156.6	0	0	0	0	114.2
113	P	51.8	Low	30.6	Very low	112 Å²	112	146.4 Å²	146.4	73%	0.727	75%	0.747	S	S	*	*			trans	-88.6	-165.6	170.5	41.3	-39.7	0	0	0	111.7
114	P	44	Very low	30.5	Very low	94 Å²	94	146.4 Å²	146.4	61%	0.61	74%	0.744	S	S	*	*			cis	-139.2	-176.9	2.2	45.5	-28.1	0	0	0	116.7	V116	P114-V116 HydrophobicContact CB-CG2 4.05Å; P114-V116 HydrophobicContact CG-CG2 4.05Å
115	K	28.9	Very low	30.6	Very low	206 Å²	206	145.8 Å²	145.8	90%	0.896	74%	0.74	S	S	*	*			trans	-153.8	127.7	155.8	-61.8	94.7	179	-176.9	0	108.1
116	V	31.6	Very low	30.5	Very low	122 Å²	122	144.7 Å²	144.7	74%	0.739	74%	0.738	S	S	*	*			cis	91.1	100.5	-5.8	-169.4	0	0	0	0	119	P114	P114-V116 HydrophobicContact CB-CG2 4.05Å; P114-V116 HydrophobicContact CG-CG2 4.05Å
117	K	29.2	Very low	30.5	Very low	206 Å²	206	144.7 Å²	144.7	90%	0.896	73%	0.732	S	S	*	*			trans	-171.1	143.4	146.6	-102.3	168.8	-171.8	173.3	0	110.1
118	K	31.5	Very low	30.4	Very low	195 Å²	195	147.5 Å²	147.5	85%	0.848	74%	0.735	S	S	*	*	S	Bend	cis	-161.6	146.5	-3.2	-176.5	-176	179.5	-172.9	0	107.7
119	A	28.3	Very low	30.2	Very low	81 Å²	81	152.1 Å²	152.1	67%	0.669	74%	0.742	S	S	*	*			cis	-99.7	-81	-8.7	0	0	0	0	0	110.3
120	K	28.6	Very low	29.8	Very low	168 Å²	168	148.2 Å²	148.2	73%	0.73	74%	0.738	S	S	*	*			cis	-154.8	153.7	-45.6	-137.5	-164.7	-166.6	-127	0	105.1
121	E	25.7	Very low	29.6	Very low	100 Å²	100	144.6 Å²	144.6	47%	0.467	73%	0.727	S	S	.	*			cis	-131.5	-105.2	5.9	-175.6	55.5	-50.5	0	0	113
122	K	30.9	Very low	29.6	Very low	158 Å²	158	149.3 Å²	149.3	69%	0.687	73%	0.734	S	S	*	*			trans	-151.9	143	-160.9	-69.3	156.3	-165.7	138.3	0	110.5
123	R	31.3	Very low	29.6	Very low	201 Å²	201	148.4 Å²	148.4	76%	0.758	73%	0.733	S	S	*	*			cis	-169.2	-173.1	-22.6	-119.4	166.3	176.7	-140.4	7.4	106.6
124	H	28.9	Very low	28.8	Very low	146 Å²	146	147.9 Å²	147.9	68%	0.676	73%	0.73	S	S	*	*			cis	-148.5	165.1	13	-142.7	-74.4	0	0	0	112.7
125	K	28.8	Very low	28	Very low	153 Å²	153	154.7 Å²	154.7	67%	0.665	74%	0.743	S	S	*	*			trans	-123.3	171.8	173.5	-92.6	169.2	152.3	-77.2	0	110.3
126	E	26.1	Very low	28	Very low	146 Å²	146	149.2 Å²	149.2	68%	0.682	73%	0.731	S	S	*	*			cis	-138.5	-132.3	15.9	-162.7	58.6	-78.7	0	0	110.6
127	K	29.9	Very low	27.8	Very low	153 Å²	153	149.1 Å²	149.1	67%	0.665	74%	0.735	S	S	*	*			trans	-142	141.8	-174.1	175.4	-178.2	168.1	-176	0	110.9
128	E	27.3	Very low	27.6	Very low	153 Å²	153	143.3 Å²	143.3	72%	0.715	73%	0.726	S	S	*	*			trans	48.9	124	162.1	-73.9	166.6	-166.5	0	0	121.5
129	R	23.3	Very low	27.4	Very low	237 Å²	237	138.8 Å²	138.8	89%	0.894	73%	0.725	S	S	*	*				-168.9	162	117	-110.1	-180	-177.7	-158.9	0	114.3
130	S	21.7	Very low	27.3	Very low	105 Å²	105	138.6 Å²	138.6	73%	0.734	72%	0.723	S	S	*	*			trans	65.9	152.5	153.4	50.5	0	0	0	0	122.3
131	S	23.8	Very low	27.1	Very low	101 Å²	101	136.8 Å²	136.8	71%	0.706	73%	0.726	S	S	*	*			trans	58.4	110.6	161.5	47.6	0	0	0	0	117.8
132	E	22.9	Very low	27.1	Very low	191 Å²	191	138 Å²	138	89%	0.893	73%	0.732	S	S	*	*				94.5	131.7	58.4	-178.6	169	-139.5	0	0	111.7
133	A	26.3	Very low	26.8	Very low	88 Å²	88	140.5 Å²	140.5	73%	0.727	74%	0.737	S	S	*	*			trans	-106	141.9	176.5	0	0	0	0	0	108.6
134	P	35.3	Very low	26.6	Very low	102 Å²	102	136.9 Å²	136.9	66%	0.662	74%	0.737	S	S	*	*				-156.4	161.1	88.5	39.8	-22.3	0	0	0	117.3
135	R	27.8	Very low	26.4	Very low	236 Å²	236	134.9 Å²	134.9	89%	0.891	74%	0.739	S	S	*	*			trans	62.8	169.6	147.5	-72.2	167.1	-173.7	170.1	1.5	116.7
136	S	28	Very low	27.2	Very low	91 Å²	91	133 Å²	133	64%	0.636	74%	0.742	S	S	*	*			cis	-166.4	147.7	-35.8	54.2	0	0	0	0	110
137	S	27.3	Very low	27.2	Very low	120 Å²	120	130.4 Å²	130.4	84%	0.839	75%	0.747	S	S	*	*			trans	62	170.5	163.8	77.3	0	0	0	0	116
138	A	25.8	Very low	27.1	Very low	84 Å²	84	128.2 Å²	128.2	69%	0.694	75%	0.75	S	S	*	*			cis	-149.2	157.3	4.9	0	0	0	0	0	113.7
139	A	26.7	Very low	27	Very low	101 Å²	101	125.3 Å²	125.3	84%	0.835	75%	0.746	S	S	*	*			trans	65.9	164.8	151.3	0	0	0	0	0	118
140	A	26.2	Very low	27.1	Very low	76 Å²	76	120.6 Å²	120.6	63%	0.628	74%	0.739	S	S	*	*			cis	-149.6	138.1	1.1	0	0	0	0	0	112.3
141	V	26.1	Very low	27.6	Very low	131 Å²	131	120.6 Å²	120.6	79%	0.794	73%	0.734	S	S	*	*			trans	50.6	167.1	144.1	-49.7	0	0	0	0	119.8
142	E	23.8	Very low	27.9	Very low	125 Å²	125	124.4 Å²	124.4	58%	0.584	74%	0.738	S	S	*	*			cis	-151.2	131.7	5.5	-155.1	155.9	-170.9	0	0	113.6
143	R	26.3	Very low	28.3	Very low	210 Å²	210	120.2 Å²	120.2	79%	0.792	73%	0.726	S	S	*	*			trans	59.2	165.7	145.6	-78.2	-176	-133.2	-109.4	0.3	120.8
144	V	25.9	Very low	28.5	Very low	126 Å²	126	122.6 Å²	122.6	76%	0.764	72%	0.722	S	S	*	*			cis	-152.7	173.1	-38.8	96.3	0	0	0	0	109.1
145	S	24.8	Very low	28.4	Very low	104 Å²	104	123.6 Å²	123.6	73%	0.727	72%	0.722	S	S	*	*			trans	-73.3	-143.8	169.1	-40.4	0	0	0	0	110.6
146	P	45.4	Very low	28.5	Very low	112 Å²	112	115.3 Å²	115.3	73%	0.727	71%	0.71	S	S	*	*			cis	-132.1	-166.6	-20.1	41.2	-23.5	0	0	0	112.9
147	A	25.9	Very low	28.5	Very low	93 Å²	93	116.6 Å²	116.6	77%	0.769	71%	0.709	S	S	*	*			trans	62	147.6	151.2	0	0	0	0	0	117.9
148	S	27.8	Very low	28.8	Very low	106 Å²	106	117.6 Å²	117.6	74%	0.741	71%	0.71	S	S	*	*			cis	-134.5	151	27.5	36.3	0	0	0	0	110
149	C	25.7	Very low	29	Very low	93 Å²	93	120.4 Å²	120.4	63%	0.628	71%	0.706	S	S	*	*			cis	75.3	139.4	38.9	97	0	0	0	0	115.1
150	N	25.8	Very low	29.2	Very low	138 Å²	138	121 Å²	121	74%	0.738	70%	0.7	S	S	*	*			trans	81.1	140.7	163.4	-60.9	-8.2	0	0	0	118.1
151	T	31.5	Very low	29.3	Very low	105 Å²	105	123.5 Å²	123.5	64%	0.644	70%	0.702	S	S	*	*			cis	-165.1	151.3	-3.8	18.2	0	0	0	0	112.4
152	K	30.1	Very low	29.6	Very low	180 Å²	180	123.3 Å²	123.3	78%	0.783	69%	0.693	S	S	*	*			trans	68.9	147.9	136.5	-78.1	-178.4	172.1	-167.9	0	121.8
153	T	32.7	Very low	29.9	Very low	104 Å²	104	126.6 Å²	126.6	64%	0.638	70%	0.7	S	S	*	*			cis	-166.4	150.3	-27.9	9.5	0	0	0	0	110.9
154	E	30.5	Very low	29.9	Very low	137 Å²	137	122.4 Å²	122.4	64%	0.64	69%	0.693	S	S	*	*				65.9	140	125.8	-157.6	162.3	-166.6	0	0	120.4	K51	K51-E154 IonicContact NZ-OE1 2.85Å; K51-E154 PolarHBondContact NZ-OE1 3.02Å
155	N	31.7	Very low	30.2	Very low	124 Å²	124	124.1 Å²	124.1	66%	0.663	69%	0.692	S	S	*	*			cis	-136.1	170.8	-3.4	-112.2	-31.2	0	0	0	108.6	K51	K51-N155 PolarHBondContact NZ-ND2 2.91Å
156	G	30.6	Very low	30.3	Very low	62 Å²	62	123.2 Å²	123.2	64%	0.639	69%	0.686	S	S	*	*			cis	-172.7	-154.9	5.4	0	0	0	0	0	113.4
157	D	28.8	Very low	29.5	Very low	118 Å²	118	119.2 Å²	119.2	63%	0.631	66%	0.659	S	S	*	*			trans	-49.3	159.9	-177	-98.7	-78.6	0	0	0	115.7	K159	D157-K159 IonicContact OD1-NZ 3.89Å; D157-K159 PolarHBondContact OD1-NZ 2.92Å; D157-K159 IonicContact OD2-NZ 2.65Å; D157-K159 PolarHBondContact OD2-NZ 2.93Å
158	V	33.7	Very low	29.6	Very low	140 Å²	140	118.7 Å²	118.7	85%	0.848	64%	0.64	S	S	*	*			cis	-129.1	145.8	35.8	177	0	0	0	0	115.1
159	K	29.8	Very low	29.6	Very low	143 Å²	143	117.1 Å²	117.1	62%	0.622	62%	0.621	S	S	*	*			trans	-49.6	162	173.5	-74.5	170.1	-168.6	83.8	0	117.2	D157	D157-K159 IonicContact OD1-NZ 3.89Å; D157-K159 PolarHBondContact OD1-NZ 2.92Å; D157-K159 IonicContact OD2-NZ 2.65Å; D157-K159 PolarHBondContact OD2-NZ 2.93Å
160	T	29.8	Very low	29.8	Very low	113 Å²	113	119.3 Å²	119.3	69%	0.693	62%	0.62	S	S	*	*			cis	155.5	165.4	-24.3	46.7	0	0	0	0	106.8
161	L	29.5	Very low	30.2	Very low	129 Å²	129	117.8 Å²	117.8	68%	0.675	61%	0.611	S	S	*	*			cis	-168.8	148.7	-25.4	-90	175.9	0	0	0	103.1
162	Q	31.4	Very low	30.2	Very low	128 Å²	128	120.2 Å²	120.2	60%	0.598	61%	0.609	S	S	*	*				75	134.6	51	-157.5	-164.9	105	0	0	114.2
163	R	30.8	Very low	30.1	Very low	194 Å²	194	114.9 Å²	114.9	73%	0.732	59%	0.587	S	S	*	*			trans	71.5	167.2	160.9	-90.5	172.4	165.6	108.1	7.2	117.8
164	D	26.1	Very low	30	Very low	121 Å²	121	116.5 Å²	116.5	65%	0.647	59%	0.585	S	S	*	*			cis	-148.5	-159	-1.4	-134.4	-36.7	0	0	0	112.6
165	H	30.8	Very low	29.7	Very low	163 Å²	163	119.4 Å²	119.4	76%	0.755	60%	0.595	S	S	*	*			trans	-106	136.4	176.7	-56.5	-100.8	0	0	0	116.3
166	S	28.5	Very low	29.4	Very low	85 Å²	85	121.5 Å²	121.5	59%	0.594	60%	0.598	S	S	*	*			trans	79.5	150	136.7	87.9	0	0	0	0	119.3	E895	S166-E895 PolarHBondContact N-OE1 3.16Å
167	V	28.6	Very low	29.3	Very low	28 Å²	28	124.3 Å²	124.3	17%	0.17	60%	0.595	C	S	.	*			cis	-178.3	174.3	-4.2	52	0	0	0	0	113.5	R894 E895 K898	V167-R894 CarbonylContact C-O 3.31Å; V167-R894 WeakPolarHBondContact CA-O 2.94Å; V167-E895 VanDerWaalsContact C-CA 3.44Å; V167-E895 CarbonylContact O-C 3.56Å; V167-K898 HydrophobicContact CG1-CB 4.11Å; V167-K898 HydrophobicContact CG1-CD 3.39Å; V167-K898 HydrophobicContact CG1-CG 3.88Å; V167-K898 WeakPolarHBondContact O-CB 3.25Å; V167-K898 PolarHBondContact O-N 3.46Å
168	K	28.5	Very low	29.4	Very low	82 Å²	82	126.2 Å²	126.2	36%	0.357	60%	0.598	S	S	.	*	B	Isolated β-bridge	trans	103.6	-171.7	160.3	-108	-154.6	-179	-156.3	0	120	R894 E895 K896 V897 K898	K168-R894 VanDerWaalsContact N-C 3.32Å; K168-R894 PolarHBondContact N-O 3.5Å; K168-R894 CarbonylContact O-C 3.53Å; K168-R894 WeakPolarHBondContact O-CA 3.2Å; K168-E895 PolarHBondContact O-N 3.29Å; K168-E895 VanDerWaalsContact O-N 3.15Å; K168-K896 PolarHBondContact O-N 2.85Å; K168-V897 HydrophobicContact CB-CG2 4.46Å; K168-V897 HydrophobicContact CD-CG2 4.47Å; K168-V897 WeakPolarHBondContact CD-O 3.22Å; K168-K898 HydrophobicContact CB-CB 4.08Å; K168-K898 HydrophobicContact CB-CG 3.88Å; K168-K898 HydrophobicContact CD-CB 4.48Å; K168-K898 HydrophobicContact CD-CG 3.69Å; K168-K898 HydrophobicContact CG-CG 3.81Å
169	E	27.5	Very low	29	Very low	73 Å²	73	125.4 Å²	125.4	34%	0.341	59%	0.589	S	S	.	*			trans	-93.8	-166	-145.6	-33.2	153	50.5	0	0	119.2	V897	E169-V897 HydrophobicContact CB-CG2 3.64Å; E169-V897 HydrophobicContact CG-CG2 4.15Å; E169-V897 WeakPolarHBondContact O-CG1 3.45Å; E169-V897 WeakPolarHBondContact O-CG2 3.45Å; E169-V897 PolarHBondContact O-N 3.03Å
170	K	28.8	Very low	29.1	Very low	139 Å²	139	125.6 Å²	125.6	60%	0.604	59%	0.59	S	S	*	*			trans	55.3	141.6	146.3	-74.5	-167.5	176.2	84.5	0	120.8	V897	K170-V897 HydrophobicContact CB-CG2 4.26Å
171	D	35.1	Very low	29.2	Very low	105 Å²	105	125.8 Å²	125.8	56%	0.561	58%	0.582	S	S	*	*			cis	-154.3	-167.7	9.6	-127.4	-16.4	0	0	0	107.8
172	R	30.5	Very low	29.2	Very low	156 Å²	156	129.4 Å²	129.4	59%	0.589	59%	0.587	S	S	*	*			cis	-172.6	177.6	13.8	-121.6	-171.4	171	54.7	42.4	107.3
173	Q	29.1	Very low	29	Very low	69 Å²	69	127.6 Å²	127.6	32%	0.322	58%	0.582	S	S	.	*			cis	-175.2	156.8	-22.2	-147	-178	-121.5	0	0	112.3	V62 C63 A64	V62-Q173 PolarHBondContact O-NE2 2.86Å; C63-Q173 VanDerWaalsContact C-NE2 3.27Å; C63-Q173 PolarHBondContact O-NE2 2.73Å; A64-Q173 PolarHBondContact O-NE2 3.12Å; A64-Q173 PolarHBondContact O-OE1 3.48Å
174	K	29.6	Very low	28.9	Very low	137 Å²	137	125.8 Å²	125.8	60%	0.596	58%	0.579	S	S	*	*			trans	60.9	152.9	163.3	-88.2	170.5	174	146.9	0	117.1	C63 A64	C63-K174 PolarHBondContact O-NZ 2.88Å; A64-K174 WeakPolarHBondContact O-CE 3.32Å; A64-K174 PolarHBondContact O-NZ 3.31Å
175	K	25.5	Very low	29.2	Very low	199 Å²	199	128.4 Å²	128.4	87%	0.865	59%	0.587	S	S	*	*			cis	-152.3	155.6	25.1	-160.3	-167.1	-180	-177.7	0	112.7
176	K	24.5	Very low	29	Very low	167 Å²	167	129.5 Å²	129.5	73%	0.726	59%	0.59	S	S	*	*			trans	-58.4	170.2	156.4	-71.3	173.2	145.1	-131	0	111.8
177	E	28.8	Very low	29.2	Very low	121 Å²	121	132.6 Å²	132.6	57%	0.565	60%	0.599	S	S	*	*			cis	-165.4	-179.1	-3.7	-119.6	173.9	-84.9	0	0	105.9
178	K	30.2	Very low	30.5	Very low	158 Å²	158	136 Å²	136	69%	0.687	62%	0.622	S	S	*	*			cis	-161.6	-167.8	10.9	-148.3	171.9	175.1	56.6	0	109.6
179	N	26.1	Very low	31.3	Very low	124 Å²	124	137.8 Å²	137.8	66%	0.663	64%	0.642	S	S	*	*			trans	77.6	150.5	155.8	-72.1	-1.8	0	0	0	117.7
180	K	31.1	Very low	31.3	Very low	147 Å²	147	140.2 Å²	140.2	64%	0.639	66%	0.661	S	S	*	*			cis	-151	169.6	1.2	-121.1	166.3	-176.2	-71.7	0	108.7
181	E	32	Very low	31.3	Very low	116 Å²	116	141.2 Å²	141.2	54%	0.542	67%	0.668	S	S	.	*			cis	-131.7	-73.3	8.8	-176.7	75.3	-91	0	0	113.1
182	W	29.3	Very low	31.1	Very low	205 Å²	205	143 Å²	143	78%	0.777	68%	0.677	S	S	*	*				-127.9	173	-96.4	-133.3	-177.5	0	0	0	110
183	N	27.7	Very low	31.4	Very low	90 Å²	90	142.1 Å²	142.1	48%	0.481	68%	0.683	S	S	.	*			cis	-147.9	119.5	-2.4	-176.7	13.7	0	0	0	110.5
184	K	29	Very low	31.2	Very low	156 Å²	156	145.2 Å²	145.2	68%	0.678	71%	0.706	S	S	*	*			trans	59.6	155.9	169.8	-66.2	158.9	-168	-180	0	116.5
185	H	31.1	Very low	31.6	Very low	177 Å²	177	149 Å²	149	82%	0.819	72%	0.717	S	S	*	*			cis	-119.8	177.1	14.5	-99.3	-95.9	0	0	0	115.3
186	K	28.1	Very low	31.9	Very low	185 Å²	185	147 Å²	147	80%	0.804	71%	0.71	S	S	*	*			trans	-86	170.3	-177.1	-68.7	179.4	175.5	-172.8	0	112
187	L	31.5	Very low	32.1	Very low	150 Å²	150	145.8 Å²	145.8	79%	0.785	71%	0.712	S	S	*	*			cis	-167	172	-16.1	-100.4	171.3	0	0	0	107.6
188	P	56.2	Low	32	Very low	101 Å²	101	143.3 Å²	143.3	66%	0.656	72%	0.719	S	S	*	*			trans	-96.5	175.7	-176.6	41.2	-37.2	0	0	0	114.3
189	P	45.9	Very low	31.9	Very low	119 Å²	119	144.8 Å²	144.8	77%	0.773	73%	0.728	S	S	*	*				-139.7	178.6	95.2	44.4	-31.6	0	0	0	111.6
190	V	27.9	Very low	32.2	Very low	123 Å²	123	144.2 Å²	144.2	75%	0.745	73%	0.729	S	S	*	*			cis	75.9	98.4	23.1	-172	0	0	0	0	116.3
191	H	27.9	Very low	31.9	Very low	161 Å²	161	144.5 Å²	144.5	75%	0.745	73%	0.734	S	S	*	*				179.7	159.8	112.3	-147.9	-90.6	0	0	0	112.3
192	D	31.7	Very low	31.6	Very low	143 Å²	143	143.1 Å²	143.1	77%	0.765	74%	0.737	S	S	*	*			trans	-93.6	-178.8	169.6	-77.2	-66.1	0	0	0	112.9
193	I	35.2	Very low	32.2	Very low	136 Å²	136	138 Å²	138	70%	0.697	73%	0.73	S	S	*	*			trans	93.6	113.7	157.5	-50.7	166.9	0	0	0	117.7
194	V	26.4	Very low	32	Very low	135 Å²	135	142.4 Å²	142.4	82%	0.818	75%	0.748	S	S	*	*				-167.9	110.9	128.4	148.9	0	0	0	0	104.1
195	R	36.8	Very low	32	Very low	217 Å²	217	142.7 Å²	142.7	82%	0.819	75%	0.75	S	S	*	*				55.2	134.5	82.6	-81	-173.5	168.3	-168.5	-5.7	112.9
196	E	32	Very low	31.8	Very low	156 Å²	156	140.9 Å²	140.9	73%	0.729	74%	0.741	S	S	*	*			cis	-160.3	161.9	39.5	-127.1	-179.1	121.5	0	0	114.2
197	N	28.6	Very low	31.7	Very low	142 Å²	142	137 Å²	137	76%	0.759	74%	0.737	S	S	*	*			trans	69.9	148.4	147.7	-59.7	-21	0	0	0	125.4
198	G	27.2	Very low	31.6	Very low	69 Å²	69	139 Å²	139	71%	0.711	74%	0.74	S	S	*	*			trans	103.6	74.1	173.3	0	0	0	0	0	114.8
199	E	28.2	Very low	30.2	Very low	189 Å²	189	142.3 Å²	142.3	88%	0.883	75%	0.747	S	S	*	*				51.4	131	79.3	-70	-144.9	112.8	0	0	114.4
200	V	32	Very low	29.3	Very low	112 Å²	112	143.6 Å²	143.6	68%	0.679	75%	0.752	S	S	*	*			cis	-155.7	168.8	10.8	80.6	0	0	0	0	107.6
201	M	25.8	Very low	29.2	Very low	153 Å²	153	145.1 Å²	145.1	75%	0.754	76%	0.755	S	S	*	*			cis	-150.2	-139.5	25.9	-143.4	-48.9	99.5	0	0	112.2
202	S	25.6	Very low	29	Very low	86 Å²	86	142.6 Å²	142.6	60%	0.601	76%	0.756	S	S	*	*			trans	-157.8	-169.1	-173.1	69.7	0	0	0	0	109.8
203	P	40.3	Very low	28.6	Very low	98 Å²	98	142.8 Å²	142.8	64%	0.636	76%	0.761	S	S	*	*			cis	-142.1	172.9	2.5	42.2	-23.3	0	0	0	118.6
204	Q	24.5	Very low	28.2	Very low	182 Å²	182	139.6 Å²	139.6	85%	0.85	76%	0.762	S	S	*	*			trans	58.7	177.9	145	-75.2	176.4	-9.5	0	0	121.6
205	K	28.1	Very low	28.4	Very low	163 Å²	163	138 Å²	138	71%	0.709	76%	0.757	S	S	*	*				-169.7	164.8	-57.2	-155.2	-173.4	178.4	-158.4	0	110.4
206	E	27.2	Very low	27.9	Very low	139 Å²	139	135.5 Å²	135.5	65%	0.65	75%	0.754	S	S	*	*			trans	75.6	105.1	148.3	-99.1	160.7	-145.7	0	0	124.4
207	S	26.8	Very low	28	Very low	103 Å²	103	136.7 Å²	136.7	72%	0.72	76%	0.76	S	S	*	*				65.3	146.6	119.6	76	0	0	0	0	126.2
208	K	28.7	Very low	28.2	Very low	193 Å²	193	136.6 Å²	136.6	84%	0.839	76%	0.755	S	S	*	*			trans	97.4	163.2	142.9	-101.5	-179.2	176.8	-177.3	0	121.6
209	E	26.4	Very low	28.3	Very low	170 Å²	170	139.9 Å²	139.9	79%	0.794	76%	0.755	S	S	*	*			trans	-90.8	161.5	-166.6	-54.9	154.8	102.4	0	0	112.9
210	V	28.6	Very low	28.3	Very low	145 Å²	145	136.2 Å²	136.2	88%	0.879	74%	0.742	S	S	*	*			trans	166.2	171.9	132.9	155.1	0	0	0	0	111.3
211	L	25	Very low	28.3	Very low	155 Å²	155	137.8 Å²	137.8	81%	0.812	75%	0.745	S	S	*	*			trans	-79.9	-173.2	-169.2	-65.2	161.6	0	0	0	115.7
212	S	23	Very low	28.4	Very low	109 Å²	109	138.1 Å²	138.1	76%	0.762	74%	0.743	S	S	*	*			trans	79.3	135.7	173.1	74.3	0	0	0	0	115.5
213	V	24.2	Very low	28.6	Very low	146 Å²	146	143.6 Å²	143.6	89%	0.885	76%	0.756	S	S	*	*			cis	82.5	123.5	17.3	-172.5	0	0	0	0	114.9
214	G	25.9	Very low	28	Very low	69 Å²	69	146 Å²	146	71%	0.711	76%	0.762	S	S	*	*			trans	85.7	146.9	178.1	0	0	0	0	0	112.2
215	S	31.5	Very low	28	Very low	101 Å²	101	145.6 Å²	145.6	71%	0.706	76%	0.757	S	S	*	*			cis	-144.1	139.2	10.6	-101.5	0	0	0	0	108.6
216	E	26.2	Very low	27.9	Very low	165 Å²	165	147 Å²	147	77%	0.771	76%	0.763	S	S	*	*				93.2	82.9	61.6	-171.8	178	-145.1	0	0	111.4
217	E	33.5	Very low	27.9	Very low	181 Å²	181	149.6 Å²	149.6	85%	0.846	77%	0.773	S	S	*	*				-129.1	121.2	109.2	-92.9	-170.5	149.5	0	0	105.7
218	E	33.5	Very low	27.8	Very low	140 Å²	140	154.5 Å²	154.5	65%	0.654	78%	0.781	S	S	*	*				81.7	89.9	73.8	-166.3	152.7	172.4	0	0	109.9
219	L	29.1	Very low	27.7	Very low	138 Å²	138	154.6 Å²	154.6	72%	0.723	78%	0.782	S	S	*	*				75.8	151.9	106.9	-72.7	-170.5	0	0	0	114.2
220	L	27.6	Very low	27.9	Very low	113 Å²	113	153.9 Å²	153.9	59%	0.592	78%	0.776	S	S	*	*			cis	-129.5	178.5	-4.3	-78	103.5	0	0	0	107.4
221	L	32.3	Very low	27.8	Very low	144 Å²	144	155.6 Å²	155.6	75%	0.754	77%	0.772	S	S	*	*			cis	-148.5	135.7	28	-94.4	92.7	0	0	0	113.8
222	K	28.2	Very low	28.1	Very low	161 Å²	161	155.7 Å²	155.7	70%	0.7	77%	0.768	S	S	*	*				34	108	123.9	-61.2	169.3	-179.5	167.3	0	119.1
223	K	29.2	Very low	28.4	Very low	201 Å²	201	158 Å²	158	87%	0.874	76%	0.764	S	S	*	*				32.9	104.8	118.6	-58.7	174.9	179.4	177.7	0	117.5
224	L	27.8	Very low	28.5	Very low	148 Å²	148	157.7 Å²	157.7	78%	0.775	76%	0.757	S	S	*	*			trans	-162.1	153.9	144.7	-138	63.6	0	0	0	116.3
225	K	26	Very low	28.4	Very low	173 Å²	173	159.5 Å²	159.5	75%	0.752	76%	0.759	S	S	*	*			trans	29.4	131.4	156.2	-76.6	161	-170.9	164.2	0	120
226	K	25.2	Very low	28.4	Very low	192 Å²	192	163.4 Å²	163.4	84%	0.835	77%	0.766	S	S	*	*			cis	61.9	85.3	32.5	-161.3	-178	-179.8	173.9	0	115.6
227	K	27.3	Very low	28.5	Very low	194 Å²	194	167.9 Å²	167.9	84%	0.843	78%	0.776	S	S	*	*			trans	72.4	157.9	142.7	-162.1	171.5	-176.6	172.1	0	117.9
228	K	25.5	Very low	28.4	Very low	207 Å²	207	166.1 Å²	166.1	90%	0.9	78%	0.777	S	S	*	*			trans	69.9	160.6	-177.7	-103.9	169.3	177.7	175.1	0	112.9
229	K	26.1	Very low	28.5	Very low	195 Å²	195	169.4 Å²	169.4	85%	0.848	79%	0.789	S	S	*	*			cis	-159.7	147.6	14.7	155.3	-160.1	176.8	-167.8	0	107
230	K	30.4	Very low	29	Very low	155 Å²	155	170.6 Å²	170.6	67%	0.674	79%	0.791	S	S	*	*			cis	-175.7	112.3	-11.6	162	-129.3	167.5	-176	0	109
231	K	26.8	Very low	29.4	Very low	181 Å²	181	175.3 Å²	175.3	79%	0.787	80%	0.801	S	S	*	*			trans	64.2	177.2	169.9	-65.4	-172.3	177.1	-161.6	0	113.6
232	H	30.6	Very low	29.5	Very low	157 Å²	157	177.8 Å²	177.8	73%	0.727	81%	0.808	S	S	*	*			cis	-112.4	176.2	7.4	-97.8	-130.2	0	0	0	111.8
233	K	30.1	Very low	29.6	Very low	157 Å²	157	176.1 Å²	176.1	68%	0.683	82%	0.817	S	S	*	*			cis	-174.5	159.7	-29.9	172.5	-179.1	170.5	-164.6	0	105.6
234	D	26	Very low	29.9	Very low	140 Å²	140	177.3 Å²	177.3	75%	0.749	82%	0.816	S	S	*	*			trans	-46.1	130.8	172.8	-29	-87.8	0	0	0	115.1
235	S	24.6	Very low	30.2	Very low	106 Å²	106	176.6 Å²	176.6	74%	0.741	82%	0.82	S	S	*	*			trans	-162.1	126.5	135.1	55.3	0	0	0	0	111.5
236	E	30.2	Very low	30.6	Very low	184 Å²	184	176.9 Å²	176.9	86%	0.86	82%	0.821	S	S	*	*			trans	51.6	80.6	149.6	-56.3	-170.3	121.7	0	0	120.3
237	W	28.8	Very low	31.4	Very low	259 Å²	259	176.5 Å²	176.5	98%	0.981	83%	0.825	S	S	*	*			trans	-147.6	58.3	150.5	-131.5	25.5	0	0	0	115
238	V	30.5	Very low	31.9	Very low	143 Å²	143	176.8 Å²	176.8	87%	0.867	82%	0.822	S	S	*	*			trans	-137.6	83.3	165.8	-175.7	0	0	0	0	109.9
239	K	35.8	Very low	32.5	Very low	210 Å²	210	174.9 Å²	174.9	91%	0.913	82%	0.816	S	S	*	*			trans	-162.2	35.8	165.1	-122.6	170.2	-171.5	178	0	116.9
240	E	40	Very low	33	Very low	162 Å²	162	176.7 Å²	176.7	76%	0.757	82%	0.817	S	S	*	*	S	Bend	trans	-147.2	162.4	163.2	-133.8	-161.7	114.2	0	0	113.2
241	R	36.8	Very low	33.3	Very low	213 Å²	213	174 Å²	174	80%	0.804	82%	0.818	S	S	*	*			trans	61.5	64.2	169.5	-57.1	-173.3	179.8	-146.1	-2	118.1
242	H	34.2	Very low	33.6	Very low	196 Å²	196	170.9 Å²	170.9	91%	0.907	82%	0.818	S	S	*	*			trans	-140.2	107.8	150.8	-85.5	88.7	0	0	0	111.5
243	S	29.3	Very low	33.8	Very low	125 Å²	125	171.5 Å²	171.5	87%	0.874	82%	0.821	S	S	*	*			trans	-154.6	152	159.1	-168.3	0	0	0	0	110
244	R	35.2	Very low	34.1	Very low	227 Å²	227	170 Å²	170	86%	0.857	83%	0.825	S	S	*	*			trans	-104.8	149.7	-170.3	-62.8	-177.9	-179.5	-176.1	1.6	112.2	K246	R244-K246 PolarHBondContact O-N 2.56Å
245	P	34.8	Very low	34.3	Very low	132 Å²	132	169.2 Å²	169.2	86%	0.857	83%	0.825	S	S	*	*			trans	-62.1	124.5	163.7	-17.7	31.1	0	0	0	110.8
246	K	34	Very low	34.6	Very low	180 Å²	180	169.8 Å²	169.8	78%	0.783	83%	0.828	S	S	*	*			trans	-102.7	117	165.8	-75.9	-175.9	177.2	179.5	0	108.6	R244	R244-K246 PolarHBondContact O-N 2.56Å
247	M	43	Very low	34.7	Very low	184 Å²	184	166.2 Å²	166.2	91%	0.906	82%	0.823	S	S	*	*			trans	-99.8	110.5	177.8	-169.7	171.2	70.5	0	0	109.4
248	Y	37	Very low	34.8	Very low	200 Å²	200	157.2 Å²	157.2	78%	0.784	81%	0.811	S	S	*	*			trans	-78.8	129.6	-178.8	-85.8	-91.2	0	0	0	111.7
249	H	37.6	Very low	34.6	Very low	167 Å²	167	157.2 Å²	157.2	77%	0.773	81%	0.811	S	S	*	*			trans	-71.3	133	162.2	-118	47.3	0	0	0	109
250	R	38.4	Very low	34.6	Very low	232 Å²	232	153.8 Å²	153.8	88%	0.875	81%	0.808	S	S	*	*			trans	-122.7	92.5	170	-160.4	177.3	-168.6	-171.5	1.3	109.3	C252	R250-C252 PolarHBondContact O-N 2.75Å
251	S	35.1	Very low	34.2	Very low	98 Å²	98	153.9 Å²	153.9	69%	0.685	81%	0.813	S	S	*	*			trans	-73.7	103.9	173.4	47.7	0	0	0	0	110	Q253	S251-Q253 PolarHBondContact O-N 2.7Å; S251-Q253 VanDerWaalsContact O-N 3.12Å
252	C	33.5	Very low	33.8	Very low	117 Å²	117	146.4 Å²	146.4	79%	0.791	80%	0.801	S	S	*	*			trans	-76.1	92.9	167	-65.3	0	0	0	0	108.6	R250	R250-C252 PolarHBondContact O-N 2.75Å
253	Q	35.8	Very low	33.6	Very low	169 Å²	169	143.7 Å²	143.7	79%	0.79	79%	0.793	S	S	*	*			trans	-105.2	89.1	178.9	-164.9	172.4	14.7	0	0	108.8	S251 V255	S251-Q253 PolarHBondContact O-N 2.7Å; S251-Q253 VanDerWaalsContact O-N 3.12Å; Q253-V255 PolarHBondContact O-N 2.76Å
254	T	35.2	Very low	33.9	Very low	126 Å²	126	142.6 Å²	142.6	77%	0.773	78%	0.783	S	S	*	*			trans	-76.1	117.1	173.2	40.6	0	0	0	0	109.9	C256	T254-C256 PolarHBondContact O-N 2.91Å
255	V	29.9	Very low	33.8	Very low	124 Å²	124	138.8 Å²	138.8	75%	0.752	78%	0.775	S	S	*	*			trans	-91.3	101.2	177.9	-176.1	0	0	0	0	108.7	Q253 S257	Q253-V255 PolarHBondContact O-N 2.76Å; V255-S257 PolarHBondContact O-N 3.3Å
256	C	31.2	Very low	33.6	Very low	118 Å²	118	139.7 Å²	139.7	80%	0.797	77%	0.766	S	S	*	*			trans	-92.7	95	173.8	-64.9	0	0	0	0	109.8	T254	T254-C256 PolarHBondContact O-N 2.91Å
257	S	33.6	Very low	33.8	Very low	108 Å²	108	137.6 Å²	137.6	76%	0.755	76%	0.762	S	S	*	*			trans	-157.7	122	171.3	-70.6	0	0	0	0	110.5	V255	V255-S257 PolarHBondContact O-N 3.3Å
258	G	29.6	Very low	33.5	Very low	71 Å²	71	132.3 Å²	132.3	73%	0.732	76%	0.755	S	S	*	*			trans	73.2	77.2	163.2	0	0	0	0	0	117.3
259	V	27.8	Very low	33.3	Very low	143 Å²	143	132.7 Å²	132.7	87%	0.867	76%	0.755	S	S	*	*			trans	-115	92.9	143.2	-179.4	0	0	0	0	107.4
260	T	33.8	Very low	33.2	Very low	138 Å²	138	130.1 Å²	130.1	85%	0.847	75%	0.746	S	S	*	*			trans	-127.1	70.2	171.2	-49	0	0	0	0	107.3
261	L	33.4	Very low	32.7	Very low	164 Å²	164	127.3 Å²	127.3	86%	0.859	75%	0.748	S	S	*	*			trans	-129.4	134.5	166	-72.2	177.7	0	0	0	107.1
262	G	28.1	Very low	32.2	Very low	55 Å²	55	126 Å²	126	57%	0.567	75%	0.75	S	S	*	*			trans	-83.1	160.3	-159.4	0	0	0	0	0	114.7	P264	G262-P264 WeakPolarHBondContact O-CD 3.47Å
263	L	30.1	Very low	31.9	Very low	140 Å²	140	127.9 Å²	127.9	73%	0.733	75%	0.752	S	S	*	*	S	Bend	trans	-91.5	23.2	167.1	-156.6	62	0	0	0	116	F266	L263-F266 HydrophobicContact CD1-CB 4.4Å
264	P	34.2	Very low	31.6	Very low	102 Å²	102	124.7 Å²	124.7	66%	0.662	75%	0.749	S	S	*	*	S	Bend	trans	-88	-25.5	166.4	33.8	-29.4	0	0	0	113.2	G262 F266	G262-P264 WeakPolarHBondContact O-CD 3.47Å; P264-F266 PolarHBondContact O-N 3.28Å
265	E	33.2	Very low	31.2	Very low	147 Å²	147	123.9 Å²	123.9	69%	0.687	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.7	-17.2	-174	-75.9	-168	96.2	0	0	115.2
266	F	32	Very low	31	Very low	151 Å²	151	123.5 Å²	123.5	66%	0.662	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.3	-24.7	-179.5	-161	-100.4	0	0	0	113.6	L263 P264	L263-F266 HydrophobicContact CD1-CB 4.4Å; P264-F266 PolarHBondContact O-N 3.28Å
267	L	37.5	Very low	31	Very low	136 Å²	136	123.4 Å²	123.4	71%	0.712	75%	0.752	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-25.8	176.8	-68.4	173.8	0	0	0	112.6	R269	L267-R269 PolarHBondContact O-N 3Å; L267-R269 VanDerWaalsContact O-N 3.12Å
268	G	36.5	Very low	30.6	Very low	73 Å²	73	121.6 Å²	121.6	75%	0.753	75%	0.75	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	9.7	176.9	0	0	0	0	0	116.1
269	R	33.2	Very low	30.6	Very low	207 Å²	207	125.9 Å²	125.9	78%	0.781	76%	0.755	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.4	18	-175	-150.1	-174.2	-73.7	-143.9	-1.6	114.5	L267	L267-R269 PolarHBondContact O-N 3Å; L267-R269 VanDerWaalsContact O-N 3.12Å
270	I	34.4	Very low	30.8	Very low	114 Å²	114	125.2 Å²	125.2	59%	0.585	75%	0.745	S	S	*	*	S	Bend	trans	-139.1	50.8	-179.2	-26.2	175.4	0	0	0	112.9
271	N	29.2	Very low	30.5	Very low	172 Å²	172	126.8 Å²	126.8	92%	0.92	74%	0.743	S	S	*	*	S	Bend	trans	166.5	116.7	143.9	-86.1	-21.2	0	0	0	110.6
272	G	24.5	Very low	30.1	Very low	70 Å²	70	123.2 Å²	123.2	72%	0.722	73%	0.731	S	S	*	*			trans	150.2	104.3	174.9	0	0	0	0	0	112.3
273	D	26.3	Very low	30.2	Very low	158 Å²	158	125.1 Å²	125.1	85%	0.845	73%	0.733	S	S	*	*			trans	61.7	145.5	168.4	-67.6	-39.8	0	0	0	119.5
274	S	29.1	Very low	30	Very low	102 Å²	102	121.6 Å²	121.6	71%	0.713	72%	0.717	S	S	*	*			cis	-174.1	155.1	-21.1	-109.3	0	0	0	0	107.1
275	S	26.7	Very low	29.9	Very low	108 Å²	108	120.7 Å²	120.7	76%	0.755	71%	0.705	S	S	*	*			cis	-164.8	-159.9	-7.9	-167.6	0	0	0	0	109
276	S	27.6	Very low	30.5	Very low	116 Å²	116	118.9 Å²	118.9	81%	0.811	71%	0.707	S	S	*	*			trans	77.1	148.8	179.8	84.3	0	0	0	0	116.1
277	S	29.6	Very low	30.5	Very low	117 Å²	117	119 Å²	119	82%	0.818	71%	0.709	S	S	*	*			cis	-150.9	139.1	10.8	-173.3	0	0	0	0	114.4
278	G	26.5	Very low	30.2	Very low	70 Å²	70	118.9 Å²	118.9	72%	0.722	71%	0.705	S	S	*	*			trans	73.8	160.1	158.5	0	0	0	0	0	119.1
279	L	29.9	Very low	29.8	Very low	160 Å²	160	122.4 Å²	122.4	84%	0.838	70%	0.7	S	S	*	*			cis	-170.5	164	-22.6	-167.4	67.2	0	0	0	107.8
280	I	30.2	Very low	29.5	Very low	129 Å²	129	120.8 Å²	120.8	66%	0.662	70%	0.701	S	S	*	*			trans	81.1	100.3	163.3	-49.3	-174.1	0	0	0	118.6
281	H	28.4	Very low	29.1	Very low	171 Å²	171	122.4 Å²	122.4	79%	0.792	71%	0.711	S	S	*	*			trans	45.4	145.9	131.4	-50.7	132	0	0	0	122.9
282	S	25.8	Very low	29.9	Very low	89 Å²	89	119.7 Å²	119.7	62%	0.622	70%	0.703	S	S	*	*			cis	-173.9	172.4	-5.5	-97.4	0	0	0	0	113.4
283	T	28.4	Very low	30.1	Very low	96 Å²	96	121 Å²	121	59%	0.589	71%	0.707	S	S	*	*			trans	69.4	143.1	149	36.8	0	0	0	0	122
284	T	27.6	Very low	30.4	Very low	66 Å²	66	118.5 Å²	118.5	41%	0.405	71%	0.708	S	S	.	*			cis	-164.7	155.7	-14.6	-10.5	0	0	0	0	111.7	Q1107 G1108	T284-Q1107 CarbonylContact O-C 3.53Å; T284-Q1107 VanDerWaalsContact O-C 3.25Å; T284-Q1107 WeakPolarHBondContact O-CB 3.36Å; T284-Q1107 PolarHBondContact OG1-OE1 3.32Å; T284-G1108 VanDerWaalsContact C-CA 3.5Å; T284-G1108 CarbonylContact O-C 3.59Å; T284-G1108 WeakPolarHBondContact O-CA 3.39Å; T284-G1108 PolarHBondContact O-N 2.85Å
285	I	30.4	Very low	30.2	Very low	82 Å²	82	118.6 Å²	118.6	42%	0.421	72%	0.715	S	S	.	*			trans	-119.3	155	-179.2	83.3	-172.3	0	0	0	115.1	G1108	I285-G1108 WeakPolarHBondContact CB-O 3.43Å; I285-G1108 WeakPolarHBondContact CG2-O 2.96Å
286	P	47.8	Very low	30.4	Very low	110 Å²	110	117.9 Å²	117.9	71%	0.714	72%	0.715	S	S	*	*				-154.3	130	114.5	35.5	-15.1	0	0	0	119.3
287	Q	31.5	Very low	30.4	Very low	153 Å²	153	117.1 Å²	117.1	72%	0.715	72%	0.716	S	S	*	*			trans	69.1	177.5	131.2	-58.1	-89.8	-22.9	0	0	118.1
288	H	30.3	Very low	30.4	Very low	134 Å²	134	116.2 Å²	116.2	62%	0.62	72%	0.715	S	S	*	*			cis	-162.7	132.3	18.5	-163	-108.7	0	0	0	114.5
289	F	27.9	Very low	30.5	Very low	147 Å²	147	117.9 Å²	117.9	65%	0.645	72%	0.723	S	S	*	*			trans	65.4	159.8	154.2	-75.6	-156.4	0	0	0	119.3
290	Q	26.4	Very low	30.5	Very low	173 Å²	173	115.1 Å²	115.1	81%	0.808	72%	0.723	S	S	*	*			cis	-148.4	168.2	-0.2	-134.3	174.6	138.6	0	0	113.1
291	D	27.3	Very low	30.6	Very low	147 Å²	147	114.1 Å²	114.1	79%	0.786	73%	0.727	S	S	*	*			trans	-90.1	-174.6	178.5	-113.3	-37.6	0	0	0	113
292	P	45.7	Very low	31.1	Very low	116 Å²	116	111.4 Å²	111.4	75%	0.753	73%	0.725	S	S	*	*			cis	-135.5	-170.1	-17.6	35.4	-15	0	0	0	114.3
293	A	29.8	Very low	31.7	Very low	98 Å²	98	112.7 Å²	112.7	81%	0.81	73%	0.731	S	S	*	*			trans	-119.7	167.6	164.7	0	0	0	0	0	112
294	A	30.7	Very low	31.7	Very low	105 Å²	105	115 Å²	115	87%	0.868	75%	0.745	S	S	*	*			trans	-157.1	119.4	173.5	0	0	0	0	0	115.4
295	A	26.4	Very low	32	Very low	103 Å²	103	119.9 Å²	119.9	85%	0.851	77%	0.765	S	S	*	*			trans	-170.7	153.1	146.1	0	0	0	0	0	111.2
296	A	29.4	Very low	31.9	Very low	93 Å²	93	121.9 Å²	121.9	77%	0.769	79%	0.787	S	S	*	*			trans	-26.1	140.3	179.5	0	0	0	0	0	118.6
297	A	28.7	Very low	31.2	Very low	100 Å²	100	121.9 Å²	121.9	83%	0.826	79%	0.79	S	S	*	*				70.2	134	53	0	0	0	0	0	113.1
298	A	29	Very low	31.4	Very low	98 Å²	98	122.2 Å²	122.2	81%	0.81	80%	0.795	S	S	*	*			cis	-158	-168.3	5.2	0	0	0	0	0	112.7
299	A	29	Very low	31.5	Very low	106 Å²	106	122.7 Å²	122.7	88%	0.876	81%	0.807	S	S	*	*			trans	93	134.5	164.4	0	0	0	0	0	119.8
300	A	29.5	Very low	32	Very low	101 Å²	101	127.5 Å²	127.5	84%	0.835	82%	0.82	S	S	*	*			trans	-129	168.9	164.1	0	0	0	0	0	106.6
301	S	32.6	Very low	32.4	Very low	109 Å²	109	125.8 Å²	125.8	76%	0.762	82%	0.817	S	S	*	*			cis	-165.6	-170.7	18	61	0	0	0	0	107.3
302	P	39.2	Very low	32.8	Very low	114 Å²	114	129.5 Å²	129.5	74%	0.74	82%	0.82	S	S	*	*			cis	-121.1	175.3	-17.6	40.9	-27.3	0	0	0	112.6
303	P	38	Very low	32	Very low	116 Å²	116	130.8 Å²	130.8	75%	0.753	82%	0.82	S	S	*	*			trans	-93.9	145.1	-175.6	35.2	-34.2	0	0	0	115.3
304	T	29.2	Very low	32.1	Very low	143 Å²	143	131 Å²	131	88%	0.877	82%	0.815	S	S	*	*			trans	-102.1	132.8	163.4	-65	0	0	0	0	109.8
305	M	32.8	Very low	32.3	Very low	169 Å²	169	135.3 Å²	135.3	83%	0.833	81%	0.811	S	S	*	*			trans	-91	111.3	-172.6	-65.9	-110.7	69.6	0	0	112.8
306	S	28.6	Very low	32.5	Very low	124 Å²	124	133.8 Å²	133.8	87%	0.867	80%	0.804	S	S	*	*			trans	-159.1	78.9	154.5	-173.1	0	0	0	0	112.4
307	S	33.7	Very low	32.7	Very low	111 Å²	111	134.7 Å²	134.7	78%	0.776	80%	0.804	S	S	*	*			trans	-149.2	168.4	162.1	-172.3	0	0	0	0	109
308	I	34.8	Very low	32.9	Very low	160 Å²	160	136 Å²	136	82%	0.821	80%	0.802	S	S	*	*			trans	81.2	74	-167.5	-46.2	161.2	0	0	0	113.8
309	V	34.1	Very low	33.1	Very low	144 Å²	144	136 Å²	136	87%	0.873	80%	0.802	S	S	*	*	S	Bend		-155.9	61.1	123.8	-163.5	0	0	0	0	110.6
310	R	36.7	Very low	33.7	Very low	247 Å²	247	137.2 Å²	137.2	93%	0.932	80%	0.798	S	S	*	*			trans	-147.6	58.4	163.7	-88.1	-158.3	-176.2	167.9	2.9	111.5
311	D	34.9	Very low	34.5	Very low	138 Å²	138	137.1 Å²	137.1	74%	0.738	80%	0.798	S	S	*	*			trans	-142.2	155.5	160.2	-173.2	21.2	0	0	0	109.1
312	R	35.8	Very low	35.3	Very low	225 Å²	225	134.2 Å²	134.2	85%	0.849	79%	0.785	S	S	*	*	S	Bend	trans	82.9	59.1	-163.6	-56	177.9	175.5	-94.2	-5.2	116.2
313	L	30.4	Very low	36.6	Very low	143 Å²	143	131.4 Å²	131.4	75%	0.749	76%	0.763	S	S	*	*				-146.9	39.3	126	-139.1	75	0	0	0	113.4	Y315	L313-Y315 HydrophobicContact CD1-CE2 4.38Å; L313-Y315 HydrophobicContact CD2-CE2 3.98Å; L313-Y315 HydrophobicContact CG-CD2 4.23Å; L313-Y315 HydrophobicContact CG-CE2 3.78Å; L313-Y315 PolarHBondContact O-N 3.44Å
314	S	31.5	Very low	37.9	Very low	103 Å²	103	131.9 Å²	131.9	72%	0.72	77%	0.767	S	S	*	*			trans	-67.2	92.5	171.6	-173.3	0	0	0	0	110.5
315	Y	35	Very low	40.4	Very low	195 Å²	195	129.1 Å²	129.1	77%	0.765	77%	0.766	S	S	*	*			trans	-80.7	126	154.2	-70.9	-75.6	0	0	0	106.8	L313 C317	L313-Y315 HydrophobicContact CD1-CE2 4.38Å; L313-Y315 HydrophobicContact CD2-CE2 3.98Å; L313-Y315 HydrophobicContact CG-CD2 4.23Å; L313-Y315 HydrophobicContact CG-CE2 3.78Å; L313-Y315 PolarHBondContact O-N 3.44Å; Y315-C317 PolarHBondContact O-N 3.38Å
316	G	29.4	Very low	43.1	Very low	70 Å²	70	123.1 Å²	123.1	72%	0.722	74%	0.737	S	S	*	*			trans	-55.9	109.4	-160.9	0	0	0	0	0	113.8	T318	G316-T318 PolarHBondContact O-N 3.36Å
317	C	33.5	Very low	46.2	Very low	113 Å²	113	122 Å²	122	76%	0.764	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-59.8	122.5	159.2	-170.6	0	0	0	0	107.3	Y315 A319	Y315-C317 PolarHBondContact O-N 3.38Å; C317-A319 PolarHBondContact O-N 2.76Å
318	T	32.6	Very low	49.1	Very low	126 Å²	126	117 Å²	117	77%	0.773	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-60.3	127.2	172.9	44.1	0	0	0	0	108.6	G316 T320	G316-T318 PolarHBondContact O-N 3.36Å; T318-T320 PolarHBondContact O-N 2.89Å
319	A	34.5	Very low	51.9	Low	98 Å²	98	111.6 Å²	111.6	81%	0.81	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-50	139.6	-179.5	0	0	0	0	0	111.1	C317 A321	C317-A319 PolarHBondContact O-N 2.76Å; A319-A321 PolarHBondContact O-N 3.11Å
320	T	41.5	Very low	54.7	Low	132 Å²	132	111.1 Å²	111.1	81%	0.81	65%	0.647	S	S	*	*			trans	-48.4	108.2	-167.5	48.9	0	0	0	0	113.2	T318 G322	T318-T320 PolarHBondContact O-N 2.89Å; T320-G322 PolarHBondContact O-N 3.03Å
321	A	45.5	Very low	57.6	Low	100 Å²	100	100 Å²	100	83%	0.826	61%	0.606	S	S	*	*			trans	-69.3	75.9	146.4	0	0	0	0	0	107	A319 L323	A319-A321 PolarHBondContact O-N 3.11Å; A321-L323 PolarHBondContact O-N 2.85Å
322	G	50	Low	60.6	Low	47 Å²	47	94.2 Å²	94.2	49%	0.485	58%	0.575	S	S	.	*			trans	-57.3	131.8	-173.1	0	0	0	0	0	110.5	T320 P324	T320-G322 PolarHBondContact O-N 3.03Å; G322-P324 VanDerWaalsContact O-CD 3.25Å; G322-P324 WeakPolarHBondContact O-CD 3.11Å; G322-P324 VanDerWaalsContact O-N 3.1Å
323	L	65.3	Low	63.5	Low	55 Å²	55	86.8 Å²	86.8	29%	0.288	55%	0.55	S	S	.	.			trans	-62	112.9	179.5	-69.3	-179	0	0	0	109.2	A321 G325 L326 I334 L370	A321-L323 PolarHBondContact O-N 2.85Å; L323-G325 PolarHBondContact O-N 3.35Å; L323-L326 HydrophobicContact CB-CD1 3.75Å; L323-L326 HydrophobicContact CB-CG 4Å; L323-L326 HydrophobicContact CD1-CD1 3.56Å; L323-L326 HydrophobicContact CG-CD1 4.33Å; L323-I334 HydrophobicContact CD1-CD1 3.81Å; L323-I334 HydrophobicContact CD2-CD1 4.19Å; L323-I334 HydrophobicContact CG-CD1 3.95Å; L323-L370 HydrophobicContact CD1-CD1 3.67Å; L323-L370 HydrophobicContact CD1-CD2 3.67Å; L323-L370 HydrophobicContact CD1-CG 4.31Å
324	P	67.1	Low	66.7	Low	127 Å²	127	83.4 Å²	83.4	83%	0.825	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	128.3	-172.3	27.9	-33.7	0	0	0	110	G322	G322-P324 VanDerWaalsContact O-CD 3.25Å; G322-P324 WeakPolarHBondContact O-CD 3.11Å; G322-P324 VanDerWaalsContact O-N 3.1Å
325	G	81.4	Confident	69.8	Low	84 Å²	84	82.8 Å²	82.8	87%	0.866	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.1	8.9	177.6	0	0	0	0	0	116.2	L323	L323-G325 PolarHBondContact O-N 3.35Å
326	L	88.4	Confident	72.7	Confident	43 Å²	43	79.7 Å²	79.7	23%	0.225	51%	0.51	C	S	.	.			trans	-100	126.1	172.1	-59.6	-166.1	0	0	0	111.8	L323 S329 I332 E366 L370	L323-L326 HydrophobicContact CB-CD1 3.75Å; L323-L326 HydrophobicContact CB-CG 4Å; L323-L326 HydrophobicContact CD1-CD1 3.56Å; L323-L326 HydrophobicContact CG-CD1 4.33Å; L326-S329 PolarHBondContact O-OG 2.67Å; L326-I332 HydrophobicContact CD1-CD1 4.27Å; L326-E366 WeakPolarHBondContact CA-OE2 3.25Å; L326-E366 HydrophobicContact CB-CG 4.47Å; L326-E366 HydrophobicContact CD1-CG 4.47Å; L326-E366 HydrophobicContact CD2-CG 3.9Å; L326-L370 HydrophobicContact CD1-CD1 4.24Å; L326-L370 HydrophobicContact CD1-CD2 3.8Å
327	E	93.3	Very high	76	Confident	100 Å²	100	77.9 Å²	77.9	47%	0.467	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-41.7	-178.3	-179.8	176.9	-177.3	0	0	111.4	R362 E366	E327-R362 IonicContact OE1-CZ 3.14Å; E327-R362 IonicContact OE1-NH1 2.76Å; E327-R362 PolarHBondContact OE1-NH1 3.38Å; E327-R362 IonicContact OE1-NH2 2.75Å; E327-R362 PolarHBondContact OE1-NH2 2.92Å; E327-R362 IonicContact OE2-CZ 3.43Å; E327-R362 IonicContact OE2-NH1 2.7Å; E327-R362 PolarHBondContact OE2-NH1 2.81Å; E327-R362 IonicContact OE2-NH2 3.8Å; E327-E366 PolarHBondContact N-OE2 3.35Å
328	F	95.1	Very high	79	Confident	7 Å²	7	77 Å²	77	3%	0.031	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	21	-174.5	-52.9	-84.7	0	0	0	112.8	H330 L331 I332 L355 E359 R362 F363 E366	F328-H330 PolarHBondContact O-N 3.12Å; F328-L331 HydrophobicContact CD1-CD1 4.38Å; F328-L331 PolarHBondContact O-N 3.11Å; F328-I332 WeakPolarHBondContact O-CG1 3.46Å; F328-L355 HydrophobicContact CD1-CD1 4.48Å; F328-L355 HydrophobicContact CD1-CD2 4.27Å; F328-L355 HydrophobicContact CE1-CD2 4.17Å; F328-E359 HydrophobicContact CE1-CB 4.07Å; F328-E359 HydrophobicContact CE1-CG 4.4Å; F328-E359 HydrophobicContact CZ-CB 4.23Å; F328-E359 HydrophobicContact CZ-CG 4.5Å; F328-R362 HydrophobicContact CE2-CB 3.83Å; F328-R362 HydrophobicContact CZ-CB 4.08Å; F328-F363 HydrophobicContact CB-CD2 3.52Å; F328-F363 HydrophobicContact CB-CE2 4.12Å; F328-F363 HydrophobicContact CD1-CB 4.4Å; F328-F363 HydrophobicContact CD1-CD2 4.4Å; F328-F363 HydrophobicContact CD2-CB 4.13Å; F328-F363 HydrophobicContact CD2-CD2 4.33Å; F328-F363 HydrophobicContact CE2-CB 4.36Å; F328-F363 HydrophobicContact CG-CB 4.16Å; F328-F363 AromaticContact CG-CD2 3.84Å; F328-F363 HydrophobicContact CG-CD2 3.84Å; F328-E366 WeakPolarHBondContact CA-OE1 3.31Å; F328-E366 WeakPolarHBondContact CB-OE1 3.34Å; F328-E366 PolarHBondContact N-OE1 2.94Å
329	S	93.7	Very high	82	Confident	47 Å²	47	76.2 Å²	76.2	33%	0.329	48%	0.475	S	S	.	.	G	3₁₀ helix	trans	-48.9	-24.3	178	43.1	0	0	0	0	115.3	L326 L331	L326-S329 PolarHBondContact O-OG 2.67Å; S329-L331 VanDerWaalsContact C-N 3.34Å
330	H	93.9	Very high	85	Confident	134 Å²	134	71.6 Å²	71.6	62%	0.62	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-79.1	-10.3	177.1	65.4	-83.2	0	0	0	114.8	F328	F328-H330 PolarHBondContact O-N 3.12Å
331	L	96.5	Very high	87.6	Confident	13 Å²	13	65.9 Å²	65.9	7%	0.068	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-109.2	5.8	175.4	-56.2	172.6	0	0	0	112.1	F328 S329 E351 L352 L355 F363	F328-L331 HydrophobicContact CD1-CD1 4.38Å; F328-L331 PolarHBondContact O-N 3.11Å; S329-L331 VanDerWaalsContact C-N 3.34Å; L331-E351 HydrophobicContact CD2-CB 4.24Å; L331-L352 HydrophobicContact CB-CD2 3.96Å; L331-L352 HydrophobicContact CD1-CD2 3.98Å; L331-L352 HydrophobicContact CG-CD2 4.47Å; L331-L355 HydrophobicContact CD1-CD1 3.95Å; L331-L355 HydrophobicContact CD1-CD2 3.87Å; L331-L355 HydrophobicContact CD1-CG 4.13Å; L331-F363 HydrophobicContact CB-CE2 4.12Å
332	I	97.3	Very high	90.1	Very high	16 Å²	16	61.1 Å²	61.1	8%	0.082	36%	0.364	C	S	.	.			trans	-116.8	108.1	-174.2	-60.5	179.6	0	0	0	108.6	L326 F328 V345 F363 F367 L370	L326-I332 HydrophobicContact CD1-CD1 4.27Å; F328-I332 WeakPolarHBondContact O-CG1 3.46Å; I332-V345 HydrophobicContact CG2-CG2 3.42Å; I332-V345 VanDerWaalsContact CG2-CG2 3.42Å; I332-F363 HydrophobicContact CD1-CE2 4.25Å; I332-F363 HydrophobicContact CG1-CE2 3.85Å; I332-F363 HydrophobicContact CG1-CZ 4.45Å; I332-F367 HydrophobicContact CD1-CD2 4.46Å; I332-F367 HydrophobicContact CG1-CD2 4.21Å; I332-L370 HydrophobicContact CD1-CD2 4.16Å; I332-L370 HydrophobicContact CG2-CD2 3.7Å
333	H	97.4	Very high	92.4	Very high	70 Å²	70	60.1 Å²	60.1	32%	0.324	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	131.5	-177	-54.5	-97.8	0	0	0	109.9	H346 Y348 E351	H333-H346 HydrophobicContact CB-CB 4.27Å; H333-H346 PolarHBondContact N-O 2.79Å; H333-H346 PolarHBondContact O-N 2.87Å; H333-Y348 HydrophobicContact CB-CE2 4.49Å; H333-Y348 AromaticContact CD2-CD2 3.69Å; H333-Y348 AromaticContact CD2-CE2 3.64Å; H333-Y348 AromaticContact NE2-CD2 3.79Å; H333-Y348 AromaticContact NE2-CE2 4Å; H333-E351 IonicContact CD2-OE2 2.76Å; H333-E351 IonicContact CE1-OE1 2.76Å; H333-E351 IonicContact CE1-OE2 3.69Å; H333-E351 IonicContact NE2-OE1 2.65Å; H333-E351 PolarHBondContact NE2-OE1 3.37Å; H333-E351 IonicContact NE2-OE2 3.36Å; H333-E351 PolarHBondContact NE2-OE2 3.13Å
334	I	97	Very high	94	Very high	71 Å²	71	57.6 Å²	57.6	36%	0.364	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	110.1	179.8	-58.3	171.6	0	0	0	108.9	L323 V344 V345 F382	L323-I334 HydrophobicContact CD1-CD1 3.81Å; L323-I334 HydrophobicContact CD2-CD1 4.19Å; L323-I334 HydrophobicContact CG-CD1 3.95Å; I334-V344 WeakPolarHBondContact CA-O 3.44Å; I334-V345 HydrophobicContact CG1-CG2 4.46Å; I334-F382 HydrophobicContact CD1-CE1 4.16Å; I334-F382 HydrophobicContact CD1-CZ 4.28Å; I334-F382 HydrophobicContact CG1-CE1 4.16Å; I334-F382 HydrophobicContact CG2-CE1 3.91Å
335	E	96.9	Very high	95.5	Very high	91 Å²	91	51.5 Å²	51.5	43%	0.425	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	124.3	169.4	-169.8	-173.9	146.3	0	0	109.1	S343 V344	E335-S343 CarbonylContact O-C 3.47Å; E335-S343 WeakPolarHBondContact O-CA 3.49Å; E335-V344 PolarHBondContact N-O 2.82Å; E335-V344 PolarHBondContact O-N 2.72Å
336	Q	97.4	Very high	96.3	Very high	129 Å²	129	48.1 Å²	48.1	60%	0.603	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.8	161.9	-169.2	179.9	30.2	0	0	109.4	A338 G341	Q336-A338 PolarHBondContact O-N 3.07Å; Q336-G341 PolarHBondContact NE2-O 2.9Å
337	Q	96.9	Very high	96.8	Very high	32 Å²	32	46 Å²	46	15%	0.15	25%	0.248	C	C	.	.			trans	-63.4	113.5	-175.5	-165.9	78.1	59.4	0	0	111.6	N339 G340 G341 A342 Y638 A639 R640	Q337-N339 VanDerWaalsContact C-N 3.27Å; Q337-N339 PolarHBondContact O-N 2.76Å; Q337-G340 PolarHBondContact O-N 2.83Å; Q337-G340 VanDerWaalsContact O-N 3.1Å; Q337-G341 PolarHBondContact O-N 3.29Å; Q337-A342 PolarHBondContact N-O 2.92Å; Q337-Y638 WeakPolarHBondContact CB-O 3.34Å; Q337-A639 HydrophobicContact CB-CB 4.15Å; Q337-R640 PolarHBondContact OE1-O 2.84Å
338	A	96.4	Very high	97	Very high	96 Å²	96	45.5 Å²	45.5	79%	0.793	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.2	-40.4	-175.7	0	0	0	0	0	114.9	Q336	Q336-A338 PolarHBondContact O-N 3.07Å
339	N	97	Very high	97	Very high	109 Å²	109	47.1 Å²	47.1	58%	0.583	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-37.4	179.3	-66.4	10.9	0	0	0	113.1	Q337 R632	Q337-N339 VanDerWaalsContact C-N 3.27Å; Q337-N339 PolarHBondContact O-N 2.76Å; N339-R632 WeakPolarHBondContact O-CG 3.46Å; N339-R632 PolarHBondContact O-NE 3.06Å
340	G	96.9	Very high	97	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-23.5	-166.5	0	0	0	0	0	114.9	Q337 A342 R632 R637 Y638	Q337-G340 PolarHBondContact O-N 2.83Å; Q337-G340 VanDerWaalsContact O-N 3.1Å; G340-A342 VanDerWaalsContact C-N 3.29Å; G340-A342 PolarHBondContact O-N 3.1Å; G340-R632 WeakPolarHBondContact O-CD 3.21Å; G340-R632 PolarHBondContact O-NE 3Å; G340-R637 WeakPolarHBondContact O-CA 3.46Å; G340-Y638 CarbonylContact C-O 3.5Å; G340-Y638 VanDerWaalsContact CA-CE1 3.48Å; G340-Y638 WeakPolarHBondContact CA-O 3.25Å; G340-Y638 PolarHBondContact O-N 2.64Å
341	G	96.8	Very high	97.2	Very high	12 Å²	12	50.1 Å²	50.1	12%	0.124	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	75.4	0.7	173.7	0	0	0	0	0	116.7	Q336 Q337	Q336-G341 PolarHBondContact NE2-O 2.9Å; Q337-G341 PolarHBondContact O-N 3.29Å
342	A	97.9	Very high	97.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.			trans	-83.6	156.2	167.8	0	0	0	0	0	110.9	Q337 G340 V383 H596 R637 Y638 A639	Q337-A342 PolarHBondContact N-O 2.92Å; G340-A342 VanDerWaalsContact C-N 3.29Å; G340-A342 PolarHBondContact O-N 3.1Å; A342-V383 HydrophobicContact CB-CG1 3.8Å; A342-V383 HydrophobicContact CB-CG2 4.29Å; A342-H596 HydrophobicContact CB-CB 4.3Å; A342-R637 HydrophobicContact CB-CB 4.14Å; A342-Y638 VanDerWaalsContact CB-C 3.42Å; A342-Y638 WeakPolarHBondContact CB-O 3.4Å; A342-Y638 PolarHBondContact N-O 3.39Å; A342-A639 HydrophobicContact CB-CB 4.48Å
343	S	98.1	Very high	97.1	Very high	27 Å²	27	53.2 Å²	53.2	19%	0.189	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	147.2	-177.5	-56.2	0	0	0	0	112.4	E335 F382 V383	E335-S343 CarbonylContact O-C 3.47Å; E335-S343 WeakPolarHBondContact O-CA 3.49Å; S343-F382 CarbonylContact O-C 3.25Å; S343-F382 VanDerWaalsContact O-CA 3.31Å; S343-F382 WeakPolarHBondContact O-CA 3.34Å; S343-V383 PolarHBondContact O-N 2.97Å
344	V	98.6	Very high	96.9	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.006	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	142.1	179.1	-170.1	0	0	0	0	107.4	I334 E335 H346 V383 M384 I386 A639 I641	I334-V344 WeakPolarHBondContact CA-O 3.44Å; E335-V344 PolarHBondContact N-O 2.82Å; E335-V344 PolarHBondContact O-N 2.72Å; V344-H346 WeakPolarHBondContact CG1-NE2 3.43Å; V344-V383 HydrophobicContact CG2-CG2 4Å; V344-M384 HydrophobicContact CG1-CB 4.23Å; V344-M384 WeakPolarHBondContact CG1-O 3.14Å; V344-I386 HydrophobicContact CG1-CD1 3.69Å; V344-I386 HydrophobicContact CG1-CG1 4.29Å; V344-A639 HydrophobicContact CG2-CB 3.62Å; V344-I641 HydrophobicContact CG1-CD1 3.93Å; V344-I641 HydrophobicContact CG1-CG1 4.5Å; V344-I641 HydrophobicContact CG2-CD1 3.69Å; V344-I641 HydrophobicContact CG2-CG1 3.96Å
345	V	98.3	Very high	96.9	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.4	177.9	65.3	0	0	0	0	110.7	I332 I334 F367 L370 F382 M384 G385 I386	I332-V345 HydrophobicContact CG2-CG2 3.42Å; I332-V345 VanDerWaalsContact CG2-CG2 3.42Å; I334-V345 HydrophobicContact CG1-CG2 4.46Å; V345-F367 HydrophobicContact CG1-CZ 4.3Å; V345-F367 HydrophobicContact CG2-CE2 3.95Å; V345-F367 HydrophobicContact CG2-CZ 4.4Å; V345-L370 HydrophobicContact CG2-CD2 4.01Å; V345-F382 HydrophobicContact CB-CD1 3.91Å; V345-F382 HydrophobicContact CB-CE1 4.11Å; V345-F382 HydrophobicContact CB-CG 4.16Å; V345-F382 HydrophobicContact CG1-CB 4.33Å; V345-F382 HydrophobicContact CG1-CD1 4.32Å; V345-F382 HydrophobicContact CG1-CD2 4.29Å; V345-F382 HydrophobicContact CG1-CG 4.05Å; V345-M384 PolarHBondContact N-O 3.37Å; V345-G385 CarbonylContact O-C 3.53Å; V345-G385 WeakPolarHBondContact O-CA 3.4Å; V345-I386 PolarHBondContact O-N 2.8Å
346	H	98.5	Very high	96.9	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.056	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	147.9	-171.4	-60.1	-111.2	0	0	0	111	H333 V344 Y348 I386 H388	H333-H346 HydrophobicContact CB-CB 4.27Å; H333-H346 PolarHBondContact N-O 2.79Å; H333-H346 PolarHBondContact O-N 2.87Å; V344-H346 WeakPolarHBondContact CG1-NE2 3.43Å; H346-Y348 HydrophobicContact CB-CE2 4.46Å; H346-I386 CarbonylContact C-O 3.58Å; H346-I386 VanDerWaalsContact CA-O 3.29Å; H346-I386 WeakPolarHBondContact CA-O 3.48Å; H346-H388 AromaticContact CE1-NE2 3.88Å; H346-H388 AromaticContact ND1-CD2 3.84Å; H346-H388 AromaticContact ND1-NE2 3.02Å; H346-H388 PolarHBondContact ND1-NE2 3.5Å
347	A	98.4	Very high	96.8	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	156.4	162.1	0	0	0	0	0	109.8	L352 F363 F367 I386 I387 H388	A347-L352 HydrophobicContact CB-CD1 4.21Å; A347-F363 HydrophobicContact CB-CE1 4.34Å; A347-F363 HydrophobicContact CB-CZ 3.7Å; A347-F367 HydrophobicContact CB-CD2 4.04Å; A347-F367 HydrophobicContact CB-CE2 3.64Å; A347-F367 HydrophobicContact CB-CZ 4.28Å; A347-I386 PolarHBondContact N-O 2.92Å; A347-I387 HydrophobicContact CB-CG2 4.26Å; A347-I387 WeakPolarHBondContact O-CA 3.46Å; A347-H388 PolarHBondContact O-N 3.16Å
348	Y	97.8	Very high	96.9	Very high	88 Å²	88	51.3 Å²	51.3	35%	0.345	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.3	-175.1	-60.9	-82.6	0	0	0	110.5	H333 H346 E350 E351 L352 H388	H333-Y348 HydrophobicContact CB-CE2 4.49Å; H333-Y348 AromaticContact CD2-CD2 3.69Å; H333-Y348 AromaticContact CD2-CE2 3.64Å; H333-Y348 AromaticContact NE2-CD2 3.79Å; H333-Y348 AromaticContact NE2-CE2 4Å; H346-Y348 HydrophobicContact CB-CE2 4.46Å; Y348-E350 PolarHBondContact O-N 3.13Å; Y348-E350 VanDerWaalsContact O-N 3.11Å; Y348-E351 WeakPolarHBondContact O-CB 3.29Å; Y348-E351 PolarHBondContact O-N 2.8Å; Y348-L352 WeakPolarHBondContact O-CG 3.25Å; Y348-L352 PolarHBondContact O-N 2.86Å; Y348-H388 HydrophobicContact CD1-CB 3.68Å; Y348-H388 AromaticContact CD1-CD2 3.71Å; Y348-H388 AromaticContact CD1-CG 3.99Å; Y348-H388 HydrophobicContact CE1-CB 4.06Å; Y348-H388 AromaticContact CE1-CD2 3.24Å; Y348-H388 WeakPolarHBondContact CE1-CD2 3.43Å; Y348-H388 AromaticContact CE1-CG 3.84Å; Y348-H388 AromaticContact CZ-CD2 3.85Å
349	T	95.8	Very high	96.9	Very high	42 Å²	42	50 Å²	50	26%	0.258	29%	0.291	S	S	.	.	H	α-helix	trans	-60.7	-24.1	-178.3	-63.7	0	0	0	0	113.3	S353 H388 A390	T349-S353 PolarHBondContact O-N 3.31Å; T349-S353 VanDerWaalsContact O-N 3.12Å; T349-H388 WeakPolarHBondContact CB-O 3.5Å; T349-H388 PolarHBondContact N-O 3.38Å; T349-H388 PolarHBondContact OG1-O 3.22Å; T349-A390 VanDerWaalsContact OG1-CA 3.25Å; T349-A390 WeakPolarHBondContact OG1-CA 3.24Å; T349-A390 PolarHBondContact OG1-N 2.96Å; T349-A390 VanDerWaalsContact OG1-N 3.13Å
350	E	94.3	Very high	97	Very high	169 Å²	169	46.7 Å²	46.7	79%	0.79	27%	0.272	S	S	*	.	H	α-helix	trans	-60	-43.4	169.5	-65.1	179.4	-165.4	0	0	111.9	Y348 S353	Y348-E350 PolarHBondContact O-N 3.13Å; Y348-E350 VanDerWaalsContact O-N 3.11Å; E350-S353 WeakPolarHBondContact O-CB 3.3Å; E350-S353 PolarHBondContact O-OG 3.41Å
351	E	96.6	Very high	97	Very high	74 Å²	74	50.6 Å²	50.6	35%	0.346	29%	0.29	S	S	.	.	H	α-helix	trans	-74.8	-43.4	177.6	-60	174.7	167.4	0	0	111.4	L331 H333 Y348 S353 C354	L331-E351 HydrophobicContact CD2-CB 4.24Å; H333-E351 IonicContact CD2-OE2 2.76Å; H333-E351 IonicContact CE1-OE1 2.76Å; H333-E351 IonicContact CE1-OE2 3.69Å; H333-E351 IonicContact NE2-OE1 2.65Å; H333-E351 PolarHBondContact NE2-OE1 3.37Å; H333-E351 IonicContact NE2-OE2 3.36Å; H333-E351 PolarHBondContact NE2-OE2 3.13Å; Y348-E351 WeakPolarHBondContact O-CB 3.29Å; Y348-E351 PolarHBondContact O-N 2.8Å; E351-S353 PolarHBondContact O-N 2.89Å; E351-S353 VanDerWaalsContact O-N 3.11Å; E351-C354 PolarHBondContact O-N 2.91Å; E351-C354 PolarHBondContact O-SG 3.37Å
352	L	96.8	Very high	97	Very high	1 Å²	1	55 Å²	55	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-65.6	-14	179.3	-54.9	178.2	0	0	0	113.3	L331 A347 Y348 C354 L355 M360 F363 I387 F475	L331-L352 HydrophobicContact CB-CD2 3.96Å; L331-L352 HydrophobicContact CD1-CD2 3.98Å; L331-L352 HydrophobicContact CG-CD2 4.47Å; A347-L352 HydrophobicContact CB-CD1 4.21Å; Y348-L352 WeakPolarHBondContact O-CG 3.25Å; Y348-L352 PolarHBondContact O-N 2.86Å; L352-C354 PolarHBondContact O-N 3.42Å; L352-C354 VanDerWaalsContact O-N 3.16Å; L352-L355 HydrophobicContact CD2-CD1 4.18Å; L352-L355 WeakPolarHBondContact O-CB 3.38Å; L352-L355 PolarHBondContact O-N 3.49Å; L352-L355 VanDerWaalsContact O-N 3.13Å; L352-M360 HydrophobicContact CB-CE 3.84Å; L352-M360 HydrophobicContact CB-SD 4.46Å; L352-M360 VanDerWaalsContact O-CE 3.25Å; L352-M360 WeakPolarHBondContact O-CE 3.4Å; L352-F363 HydrophobicContact CD1-CD1 3.99Å; L352-F363 HydrophobicContact CD1-CE1 3.38Å; L352-F363 HydrophobicContact CD1-CZ 3.95Å; L352-F363 HydrophobicContact CD2-CD1 3.92Å; L352-F363 HydrophobicContact CD2-CD2 4.08Å; L352-F363 HydrophobicContact CD2-CE1 3.56Å; L352-F363 HydrophobicContact CD2-CE2 3.71Å; L352-F363 HydrophobicContact CD2-CG 4.19Å; L352-F363 HydrophobicContact CD2-CZ 3.45Å; L352-F363 VanDerWaalsContact CD2-CZ 3.45Å; L352-F363 HydrophobicContact CG-CE1 4.11Å; L352-F363 HydrophobicContact CG-CZ 4.33Å; L352-I387 HydrophobicContact CD1-CG2 3.94Å; L352-F475 HydrophobicContact CD1-CZ 4.09Å
353	S	94.5	Very high	97	Very high	94 Å²	94	55 Å²	55	66%	0.657	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-16	-179.5	73	0	0	0	0	114.5	T349 E350 E351	T349-S353 PolarHBondContact O-N 3.31Å; T349-S353 VanDerWaalsContact O-N 3.12Å; E350-S353 WeakPolarHBondContact O-CB 3.3Å; E350-S353 PolarHBondContact O-OG 3.41Å; E351-S353 PolarHBondContact O-N 2.89Å; E351-S353 VanDerWaalsContact O-N 3.11Å
354	C	93.3	Very high	97	Very high	99 Å²	99	53.7 Å²	53.7	67%	0.669	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-13.4	175.7	71.4	0	0	0	0	114.3	E351 L352	E351-C354 PolarHBondContact O-N 2.91Å; E351-C354 PolarHBondContact O-SG 3.37Å; L352-C354 PolarHBondContact O-N 3.42Å; L352-C354 VanDerWaalsContact O-N 3.16Å
355	L	97.1	Very high	96.9	Very high	27 Å²	27	58.1 Å²	58.1	14%	0.141	31%	0.314	C	S	.	.	S	Bend	trans	-75.9	139.8	-177.7	-61.5	-178.4	0	0	0	111.5	F328 L331 L352 E359 M360 F363	F328-L355 HydrophobicContact CD1-CD1 4.48Å; F328-L355 HydrophobicContact CD1-CD2 4.27Å; F328-L355 HydrophobicContact CE1-CD2 4.17Å; L331-L355 HydrophobicContact CD1-CD1 3.95Å; L331-L355 HydrophobicContact CD1-CD2 3.87Å; L331-L355 HydrophobicContact CD1-CG 4.13Å; L352-L355 HydrophobicContact CD2-CD1 4.18Å; L352-L355 WeakPolarHBondContact O-CB 3.38Å; L352-L355 PolarHBondContact O-N 3.49Å; L352-L355 VanDerWaalsContact O-N 3.13Å; L355-E359 HydrophobicContact CB-CB 4.01Å; L355-E359 HydrophobicContact CD2-CB 4.12Å; L355-E359 HydrophobicContact CG-CB 4.5Å; L355-M360 HydrophobicContact CB-CB 4.45Å; L355-M360 HydrophobicContact CB-CE 4.45Å; L355-F363 HydrophobicContact CD1-CB 3.88Å; L355-F363 HydrophobicContact CD1-CD2 4.47Å; L355-F363 HydrophobicContact CD1-CG 4.06Å
356	S	97.4	Very high	96.9	Very high	46 Å²	46	59.6 Å²	59.6	32%	0.322	32%	0.321	S	S	.	.			trans	-64.5	160.4	166.8	71.1	0	0	0	0	111.2	A358 E359 M360	S356-A358 PolarHBondContact O-N 3.21Å; S356-A358 VanDerWaalsContact O-N 3.1Å; S356-E359 WeakPolarHBondContact CB-OE2 3.25Å; S356-E359 PolarHBondContact N-OE2 3.48Å; S356-E359 PolarHBondContact O-N 3.16Å; S356-E359 PolarHBondContact OG-N 3.09Å; S356-E359 PolarHBondContact OG-OE2 3.06Å; S356-M360 WeakPolarHBondContact O-CB 3.26Å; S356-M360 PolarHBondContact O-N 3.1Å
357	P	96.2	Very high	96.8	Very high	114 Å²	114	59 Å²	59	74%	0.74	32%	0.319	S	S	*	.	H	α-helix	trans	-56.5	-28.8	177.2	-27.6	36.1	0	0	0	114.3	Q361	P357-Q361 VanDerWaalsContact O-CG 3.25Å; P357-Q361 WeakPolarHBondContact O-CG 3.25Å; P357-Q361 PolarHBondContact O-N 2.78Å
358	A	97.5	Very high	96.8	Very high	66 Å²	66	59 Å²	59	55%	0.545	32%	0.319	S	S	.	.	H	α-helix	trans	-76.8	-38.7	176.4	0	0	0	0	0	112.4	S356 Q361 R362	S356-A358 PolarHBondContact O-N 3.21Å; S356-A358 VanDerWaalsContact O-N 3.1Å; A358-Q361 PolarHBondContact O-N 2.71Å; A358-R362 WeakPolarHBondContact O-CG 3.35Å; A358-R362 PolarHBondContact O-N 2.95Å
359	E	97.8	Very high	96.7	Very high	70 Å²	70	57 Å²	57	33%	0.327	32%	0.318	S	S	.	.	H	α-helix	trans	-68.3	-42.6	172.7	-72	155.5	139.1	0	0	111.3	F328 L355 S356 Q361 R362 F363	F328-E359 HydrophobicContact CE1-CB 4.07Å; F328-E359 HydrophobicContact CE1-CG 4.4Å; F328-E359 HydrophobicContact CZ-CB 4.23Å; F328-E359 HydrophobicContact CZ-CG 4.5Å; L355-E359 HydrophobicContact CB-CB 4.01Å; L355-E359 HydrophobicContact CD2-CB 4.12Å; L355-E359 HydrophobicContact CG-CB 4.5Å; S356-E359 WeakPolarHBondContact CB-OE2 3.25Å; S356-E359 PolarHBondContact N-OE2 3.48Å; S356-E359 PolarHBondContact O-N 3.16Å; S356-E359 PolarHBondContact OG-N 3.09Å; S356-E359 PolarHBondContact OG-OE2 3.06Å; E359-Q361 VanDerWaalsContact C-N 3.26Å; E359-Q361 PolarHBondContact O-N 3.24Å; E359-R362 PolarHBondContact O-N 2.75Å; E359-R362 VanDerWaalsContact O-N 3.07Å; E359-F363 WeakPolarHBondContact O-CB 3.47Å; E359-F363 PolarHBondContact O-N 3.06Å
360	M	97.8	Very high	96.7	Very high	39 Å²	39	55.8 Å²	55.8	19%	0.192	31%	0.31	C	S	.	.	H	α-helix	trans	-56.6	-38.4	174.2	-177.9	68.1	70.9	0	0	112.3	L352 L355 S356 A364 P474 F475	L352-M360 HydrophobicContact CB-CE 3.84Å; L352-M360 HydrophobicContact CB-SD 4.46Å; L352-M360 VanDerWaalsContact O-CE 3.25Å; L352-M360 WeakPolarHBondContact O-CE 3.4Å; L355-M360 HydrophobicContact CB-CB 4.45Å; L355-M360 HydrophobicContact CB-CE 4.45Å; S356-M360 WeakPolarHBondContact O-CB 3.26Å; S356-M360 PolarHBondContact O-N 3.1Å; M360-A364 VanDerWaalsContact O-CB 3.26Å; M360-A364 WeakPolarHBondContact O-CB 3.28Å; M360-A364 PolarHBondContact O-N 3.43Å; M360-P474 HydrophobicContact CG-CB 4.32Å; M360-P474 HydrophobicContact CG-CG 3.75Å; M360-P474 HydrophobicContact SD-CG 4.32Å; M360-F475 HydrophobicContact SD-CE2 4.34Å; M360-F475 HydrophobicContact SD-CZ 3.84Å
361	Q	97.6	Very high	96.9	Very high	81 Å²	81	47.8 Å²	47.8	38%	0.379	27%	0.272	S	S	.	.	H	α-helix	trans	-65.7	-43.8	174.3	-76.1	-76.3	-24	0	0	112	P357 A358 E359 A364 E365 R478	P357-Q361 VanDerWaalsContact O-CG 3.25Å; P357-Q361 WeakPolarHBondContact O-CG 3.25Å; P357-Q361 PolarHBondContact O-N 2.78Å; A358-Q361 PolarHBondContact O-N 2.71Å; E359-Q361 VanDerWaalsContact C-N 3.26Å; E359-Q361 PolarHBondContact O-N 3.24Å; Q361-A364 PolarHBondContact O-N 3.1Å; Q361-E365 PolarHBondContact O-N 3.02Å; Q361-E365 VanDerWaalsContact O-N 3.09Å; Q361-R478 PolarHBondContact O-NH2 2.92Å
362	R	97.5	Very high	96.9	Very high	105 Å²	105	44.3 Å²	44.3	40%	0.396	26%	0.256	S	S	.	.	H	α-helix	trans	-68.4	-42.1	177.3	-64.3	-174.9	-59.1	134.9	7.2	111.8	E327 F328 A358 E359 A364 E365 E366	E327-R362 IonicContact OE1-CZ 3.14Å; E327-R362 IonicContact OE1-NH1 2.76Å; E327-R362 PolarHBondContact OE1-NH1 3.38Å; E327-R362 IonicContact OE1-NH2 2.75Å; E327-R362 PolarHBondContact OE1-NH2 2.92Å; E327-R362 IonicContact OE2-CZ 3.43Å; E327-R362 IonicContact OE2-NH1 2.7Å; E327-R362 PolarHBondContact OE2-NH1 2.81Å; E327-R362 IonicContact OE2-NH2 3.8Å; F328-R362 HydrophobicContact CE2-CB 3.83Å; F328-R362 HydrophobicContact CZ-CB 4.08Å; A358-R362 WeakPolarHBondContact O-CG 3.35Å; A358-R362 PolarHBondContact O-N 2.95Å; E359-R362 PolarHBondContact O-N 2.75Å; E359-R362 VanDerWaalsContact O-N 3.07Å; R362-A364 VanDerWaalsContact C-N 3.33Å; R362-A364 PolarHBondContact O-N 2.89Å; R362-E365 WeakPolarHBondContact O-CB 3.25Å; R362-E365 PolarHBondContact O-N 3.06Å; R362-E365 VanDerWaalsContact O-N 3.16Å; R362-E366 PolarHBondContact O-N 3.49Å
363	F	98.1	Very high	96.8	Very high	0 Å²	0	45 Å²	45	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-55.7	-45.7	170.6	175.8	-94.6	0	0	0	111.8	F328 L331 I332 A347 L352 L355 E359 E365 E366 F367 F475	F328-F363 HydrophobicContact CB-CD2 3.52Å; F328-F363 HydrophobicContact CB-CE2 4.12Å; F328-F363 HydrophobicContact CD1-CB 4.4Å; F328-F363 HydrophobicContact CD1-CD2 4.4Å; F328-F363 HydrophobicContact CD2-CB 4.13Å; F328-F363 HydrophobicContact CD2-CD2 4.33Å; F328-F363 HydrophobicContact CE2-CB 4.36Å; F328-F363 HydrophobicContact CG-CB 4.16Å; F328-F363 AromaticContact CG-CD2 3.84Å; F328-F363 HydrophobicContact CG-CD2 3.84Å; L331-F363 HydrophobicContact CB-CE2 4.12Å; I332-F363 HydrophobicContact CD1-CE2 4.25Å; I332-F363 HydrophobicContact CG1-CE2 3.85Å; I332-F363 HydrophobicContact CG1-CZ 4.45Å; A347-F363 HydrophobicContact CB-CE1 4.34Å; A347-F363 HydrophobicContact CB-CZ 3.7Å; L352-F363 HydrophobicContact CD1-CD1 3.99Å; L352-F363 HydrophobicContact CD1-CE1 3.38Å; L352-F363 HydrophobicContact CD1-CZ 3.95Å; L352-F363 HydrophobicContact CD2-CD1 3.92Å; L352-F363 HydrophobicContact CD2-CD2 4.08Å; L352-F363 HydrophobicContact CD2-CE1 3.56Å; L352-F363 HydrophobicContact CD2-CE2 3.71Å; L352-F363 HydrophobicContact CD2-CG 4.19Å; L352-F363 HydrophobicContact CD2-CZ 3.45Å; L352-F363 VanDerWaalsContact CD2-CZ 3.45Å; L352-F363 HydrophobicContact CG-CE1 4.11Å; L352-F363 HydrophobicContact CG-CZ 4.33Å; L355-F363 HydrophobicContact CD1-CB 3.88Å; L355-F363 HydrophobicContact CD1-CD2 4.47Å; L355-F363 HydrophobicContact CD1-CG 4.06Å; E359-F363 WeakPolarHBondContact O-CB 3.47Å; E359-F363 PolarHBondContact O-N 3.06Å; F363-E365 VanDerWaalsContact C-N 3.3Å; F363-E365 PolarHBondContact O-N 3.11Å; F363-E366 PolarHBondContact O-N 2.82Å; F363-F367 HydrophobicContact CE1-CB 3.98Å; F363-F367 HydrophobicContact CE1-CD2 4.36Å; F363-F367 HydrophobicContact CE1-CG 4.24Å; F363-F367 HydrophobicContact CE2-CB 4.38Å; F363-F367 HydrophobicContact CE2-CD2 4.41Å; F363-F367 HydrophobicContact CZ-CB 3.89Å; F363-F367 AromaticContact CZ-CD2 3.7Å; F363-F367 HydrophobicContact CZ-CD2 3.7Å; F363-F367 HydrophobicContact CZ-CG 4.01Å; F363-F367 VanDerWaalsContact O-CB 3.25Å; F363-F367 WeakPolarHBondContact O-CB 3.47Å; F363-F367 PolarHBondContact O-N 3.29Å; F363-F475 AromaticContact CD1-CE1 3.67Å; F363-F475 HydrophobicContact CD1-CE1 3.67Å; F363-F475 AromaticContact CD1-CZ 3.93Å; F363-F475 HydrophobicContact CD1-CZ 3.93Å; F363-F475 AromaticContact CE1-CE1 3.68Å; F363-F475 HydrophobicContact CE1-CE1 3.68Å; F363-F475 AromaticContact CE1-CZ 3.94Å; F363-F475 HydrophobicContact CE1-CZ 3.94Å
364	A	98.1	Very high	96.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.9	-31.9	178.3	0	0	0	0	0	113.2	M360 Q361 R362 V368 P474 F475	M360-A364 VanDerWaalsContact O-CB 3.26Å; M360-A364 WeakPolarHBondContact O-CB 3.28Å; M360-A364 PolarHBondContact O-N 3.43Å; Q361-A364 PolarHBondContact O-N 3.1Å; R362-A364 VanDerWaalsContact C-N 3.33Å; R362-A364 PolarHBondContact O-N 2.89Å; A364-V368 VanDerWaalsContact O-CB 3.27Å; A364-V368 WeakPolarHBondContact O-CB 3.38Å; A364-V368 WeakPolarHBondContact O-CG2 3.45Å; A364-V368 PolarHBondContact O-N 2.75Å; A364-P474 HydrophobicContact CB-CB 3.96Å; A364-P474 WeakPolarHBondContact CB-O 3.49Å; A364-F475 HydrophobicContact CB-CD1 3.37Å; A364-F475 HydrophobicContact CB-CE1 3.47Å; A364-F475 VanDerWaalsContact CB-CE1 3.47Å; A364-F475 HydrophobicContact CB-CG 4.22Å; A364-F475 HydrophobicContact CB-CZ 4.37Å
365	E	96.6	Very high	96.6	Very high	93 Å²	93	40 Å²	40	44%	0.435	22%	0.219	S	C	.	.	H	α-helix	trans	-70.2	-46.3	172.1	-177.2	144.8	-129.4	0	0	111.6	Q361 R362 F363 S369 F485	Q361-E365 PolarHBondContact O-N 3.02Å; Q361-E365 VanDerWaalsContact O-N 3.09Å; R362-E365 WeakPolarHBondContact O-CB 3.25Å; R362-E365 PolarHBondContact O-N 3.06Å; R362-E365 VanDerWaalsContact O-N 3.16Å; F363-E365 VanDerWaalsContact C-N 3.3Å; F363-E365 PolarHBondContact O-N 3.11Å; E365-S369 VanDerWaalsContact O-CB 3.23Å; E365-S369 WeakPolarHBondContact O-CB 3.33Å; E365-S369 PolarHBondContact O-N 2.71Å; E365-S369 VanDerWaalsContact O-N 3.09Å; E365-S369 PolarHBondContact O-OG 2.83Å; E365-F485 HydrophobicContact CG-CZ 4.15Å
366	E	96.4	Very high	96	Very high	31 Å²	31	43.2 Å²	43.2	15%	0.145	26%	0.259	C	S	.	.	H	α-helix	trans	-62.8	-52.4	177.6	-172	173	91.5	0	0	112.3	L326 E327 F328 R362 F363 V368 S369 L370	L326-E366 WeakPolarHBondContact CA-OE2 3.25Å; L326-E366 HydrophobicContact CB-CG 4.47Å; L326-E366 HydrophobicContact CD1-CG 4.47Å; L326-E366 HydrophobicContact CD2-CG 3.9Å; E327-E366 PolarHBondContact N-OE2 3.35Å; F328-E366 WeakPolarHBondContact CA-OE1 3.31Å; F328-E366 WeakPolarHBondContact CB-OE1 3.34Å; F328-E366 PolarHBondContact N-OE1 2.94Å; R362-E366 PolarHBondContact O-N 3.49Å; F363-E366 PolarHBondContact O-N 2.82Å; E366-V368 PolarHBondContact O-N 2.83Å; E366-S369 PolarHBondContact O-N 3.29Å; E366-L370 VanDerWaalsContact O-CB 3.3Å; E366-L370 WeakPolarHBondContact O-CB 3.34Å; E366-L370 PolarHBondContact O-N 3.42Å
367	F	98	Very high	95.5	Very high	0 Å²	0	45 Å²	45	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.2	-42.3	-176.6	-174.8	-85.2	0	0	0	112.8	I332 V345 A347 F363 L370 S371 I386 I387 F650	I332-F367 HydrophobicContact CD1-CD2 4.46Å; I332-F367 HydrophobicContact CG1-CD2 4.21Å; V345-F367 HydrophobicContact CG1-CZ 4.3Å; V345-F367 HydrophobicContact CG2-CE2 3.95Å; V345-F367 HydrophobicContact CG2-CZ 4.4Å; A347-F367 HydrophobicContact CB-CD2 4.04Å; A347-F367 HydrophobicContact CB-CE2 3.64Å; A347-F367 HydrophobicContact CB-CZ 4.28Å; F363-F367 HydrophobicContact CE1-CB 3.98Å; F363-F367 HydrophobicContact CE1-CD2 4.36Å; F363-F367 HydrophobicContact CE1-CG 4.24Å; F363-F367 HydrophobicContact CE2-CB 4.38Å; F363-F367 HydrophobicContact CE2-CD2 4.41Å; F363-F367 HydrophobicContact CZ-CB 3.89Å; F363-F367 AromaticContact CZ-CD2 3.7Å; F363-F367 HydrophobicContact CZ-CD2 3.7Å; F363-F367 HydrophobicContact CZ-CG 4.01Å; F363-F367 VanDerWaalsContact O-CB 3.25Å; F363-F367 WeakPolarHBondContact O-CB 3.47Å; F363-F367 PolarHBondContact O-N 3.29Å; F367-L370 PolarHBondContact O-N 3.09Å; F367-S371 VanDerWaalsContact CE1-OG 3.3Å; F367-S371 WeakPolarHBondContact CE1-OG 3.45Å; F367-S371 VanDerWaalsContact O-CB 3.31Å; F367-S371 WeakPolarHBondContact O-CB 3.28Å; F367-S371 PolarHBondContact O-N 3.13Å; F367-S371 PolarHBondContact O-OG 2.74Å; F367-I386 WeakPolarHBondContact CZ-O 3.23Å; F367-I387 HydrophobicContact CD1-CD1 3.74Å; F367-I387 HydrophobicContact CD1-CG1 3.9Å; F367-I387 HydrophobicContact CE1-CD1 3.8Å; F367-I387 HydrophobicContact CE1-CG1 3.43Å; F367-I387 VanDerWaalsContact CE1-CG1 3.43Å; F367-I387 HydrophobicContact CG-CD1 4.49Å; F367-I387 HydrophobicContact CZ-CG1 3.86Å; F367-F650 HydrophobicContact CD1-CE2 4.35Å; F367-F650 HydrophobicContact CE1-CD2 4.19Å; F367-F650 HydrophobicContact CE1-CE2 4.03Å
368	V	97.6	Very high	95	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-70.8	-39.8	179.1	175.2	0	0	0	0	110.4	A364 E366 S371 F372 F475 T479 F485 F650	A364-V368 VanDerWaalsContact O-CB 3.27Å; A364-V368 WeakPolarHBondContact O-CB 3.38Å; A364-V368 WeakPolarHBondContact O-CG2 3.45Å; A364-V368 PolarHBondContact O-N 2.75Å; E366-V368 PolarHBondContact O-N 2.83Å; V368-S371 PolarHBondContact O-N 2.88Å; V368-F372 HydrophobicContact CG1-CD2 3.74Å; V368-F372 HydrophobicContact CG1-CE2 3.7Å; V368-F372 VanDerWaalsContact O-CD2 3.3Å; V368-F372 WeakPolarHBondContact O-CD2 3.34Å; V368-F372 PolarHBondContact O-N 2.87Å; V368-F372 VanDerWaalsContact O-N 3.13Å; V368-F475 HydrophobicContact CG2-CD1 4.44Å; V368-T479 HydrophobicContact CG1-CG2 3.42Å; V368-T479 VanDerWaalsContact CG1-CG2 3.42Å; V368-T479 HydrophobicContact CG2-CG2 4.28Å; V368-F485 HydrophobicContact CB-CE2 3.96Å; V368-F485 HydrophobicContact CG1-CD2 3.65Å; V368-F485 HydrophobicContact CG1-CE2 3.54Å; V368-F650 HydrophobicContact CG2-CE1 4.4Å; V368-F650 HydrophobicContact CG2-CE2 4.47Å; V368-F650 HydrophobicContact CG2-CZ 4.1Å
369	S	96.2	Very high	94.7	Very high	47 Å²	47	40.9 Å²	40.9	33%	0.329	24%	0.237	S	C	.	.	H	α-helix	trans	-63.4	-41.6	174.7	-57	0	0	0	0	111.7	E365 E366 S373 F485	E365-S369 VanDerWaalsContact O-CB 3.23Å; E365-S369 WeakPolarHBondContact O-CB 3.33Å; E365-S369 PolarHBondContact O-N 2.71Å; E365-S369 VanDerWaalsContact O-N 3.09Å; E365-S369 PolarHBondContact O-OG 2.83Å; E366-S369 PolarHBondContact O-N 3.29Å; S369-S373 WeakPolarHBondContact O-CB 3.4Å; S369-S373 PolarHBondContact O-N 3.49Å; S369-S373 VanDerWaalsContact O-N 3.09Å; S369-F485 WeakPolarHBondContact OG-CZ 3.49Å
370	L	96.1	Very high	94.7	Very high	16 Å²	16	37.6 Å²	37.6	8%	0.084	22%	0.222	C	C	.	.	H	α-helix	trans	-63.8	-46	174.5	179.9	66	0	0	0	111.8	L323 L326 I332 V345 E366 F367 F372 S373 F382	L323-L370 HydrophobicContact CD1-CD1 3.67Å; L323-L370 HydrophobicContact CD1-CD2 3.67Å; L323-L370 HydrophobicContact CD1-CG 4.31Å; L326-L370 HydrophobicContact CD1-CD1 4.24Å; L326-L370 HydrophobicContact CD1-CD2 3.8Å; I332-L370 HydrophobicContact CD1-CD2 4.16Å; I332-L370 HydrophobicContact CG2-CD2 3.7Å; V345-L370 HydrophobicContact CG2-CD2 4.01Å; E366-L370 VanDerWaalsContact O-CB 3.3Å; E366-L370 WeakPolarHBondContact O-CB 3.34Å; E366-L370 PolarHBondContact O-N 3.42Å; F367-L370 PolarHBondContact O-N 3.09Å; L370-F372 VanDerWaalsContact C-N 3.25Å; L370-F372 PolarHBondContact O-N 3.27Å; L370-S373 VanDerWaalsContact O-CB 3.31Å; L370-S373 WeakPolarHBondContact O-CB 3.46Å; L370-S373 PolarHBondContact O-N 2.68Å; L370-S373 PolarHBondContact O-OG 3.05Å; L370-F382 HydrophobicContact CD1-CE2 3.63Å; L370-F382 HydrophobicContact CD1-CZ 4.07Å; L370-F382 HydrophobicContact CG-CE2 3.81Å; L370-F382 HydrophobicContact CG-CZ 4.3Å; L370-F382 WeakPolarHBondContact O-CD2 3.17Å
371	S	97.3	Very high	94.6	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-57.3	-38.7	179.8	-65	0	0	0	0	112.2	F367 V368 P652	F367-S371 VanDerWaalsContact CE1-OG 3.3Å; F367-S371 WeakPolarHBondContact CE1-OG 3.45Å; F367-S371 VanDerWaalsContact O-CB 3.31Å; F367-S371 WeakPolarHBondContact O-CB 3.28Å; F367-S371 PolarHBondContact O-N 3.13Å; F367-S371 PolarHBondContact O-OG 2.74Å; V368-S371 PolarHBondContact O-N 2.88Å; S371-P652 WeakPolarHBondContact O-CG 3.38Å
372	F	97.1	Very high	94.6	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	11.7	177.6	-62.6	-57.5	0	0	0	114.3	V368 L370 T479 A568 V570 F650 P652 I672 L674 Q676	V368-F372 HydrophobicContact CG1-CD2 3.74Å; V368-F372 HydrophobicContact CG1-CE2 3.7Å; V368-F372 VanDerWaalsContact O-CD2 3.3Å; V368-F372 WeakPolarHBondContact O-CD2 3.34Å; V368-F372 PolarHBondContact O-N 2.87Å; V368-F372 VanDerWaalsContact O-N 3.13Å; L370-F372 VanDerWaalsContact C-N 3.25Å; L370-F372 PolarHBondContact O-N 3.27Å; F372-T479 HydrophobicContact CE2-CG2 4.08Å; F372-A568 HydrophobicContact CD1-CB 4.11Å; F372-A568 HydrophobicContact CE1-CB 3.68Å; F372-A568 HydrophobicContact CZ-CB 4.31Å; F372-V570 HydrophobicContact CZ-CG2 4.29Å; F372-F650 HydrophobicContact CE1-CB 3.95Å; F372-F650 HydrophobicContact CE2-CB 4.43Å; F372-F650 HydrophobicContact CE2-CD1 4.2Å; F372-F650 HydrophobicContact CZ-CB 3.75Å; F372-F650 AromaticContact CZ-CD1 3.96Å; F372-F650 HydrophobicContact CZ-CD1 3.96Å; F372-F650 HydrophobicContact CZ-CG 4.23Å; F372-P652 HydrophobicContact CD1-CB 4.15Å; F372-P652 HydrophobicContact CD1-CG 3.97Å; F372-I672 HydrophobicContact CZ-CG2 4.29Å; F372-L674 HydrophobicContact CB-CD1 3.7Å; F372-L674 HydrophobicContact CD1-CD1 3.71Å; F372-L674 HydrophobicContact CD2-CD1 3.57Å; F372-L674 HydrophobicContact CD2-CD2 4.15Å; F372-L674 HydrophobicContact CE1-CD1 4.16Å; F372-L674 HydrophobicContact CE2-CD1 4.01Å; F372-L674 HydrophobicContact CE2-CD2 4.26Å; F372-L674 HydrophobicContact CG-CD1 3.4Å; F372-L674 HydrophobicContact CZ-CD1 4.28Å; F372-Q676 PolarHBondContact O-NE2 3.36Å
373	S	94.9	Very high	94.6	Very high	15 Å²	15	33.8 Å²	33.8	11%	0.105	20%	0.202	C	C	.	.			trans	-72.4	139.9	-176.9	65.7	0	0	0	0	112.9	S369 L370 A380 R381	S369-S373 WeakPolarHBondContact O-CB 3.4Å; S369-S373 PolarHBondContact O-N 3.49Å; S369-S373 VanDerWaalsContact O-N 3.09Å; L370-S373 VanDerWaalsContact O-CB 3.31Å; L370-S373 WeakPolarHBondContact O-CB 3.46Å; L370-S373 PolarHBondContact O-N 2.68Å; L370-S373 PolarHBondContact O-OG 3.05Å; S373-A380 WeakPolarHBondContact O-CA 3.46Å; S373-R381 WeakPolarHBondContact O-CG 3.44Å; S373-R381 PolarHBondContact O-N 3.09Å
374	E	94.1	Very high	94.6	Very high	33 Å²	33	33.8 Å²	33.8	15%	0.154	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-106.5	153.3	-179.3	-63.9	-176.8	163.7	0	0	111.9	G379 R381 R653 Y677	E374-G379 CarbonylContact C-O 3.58Å; E374-G379 VanDerWaalsContact CA-O 3.3Å; E374-G379 WeakPolarHBondContact CA-O 3.31Å; E374-R381 VanDerWaalsContact O-CZ 3.25Å; E374-R381 PolarHBondContact O-NE 2.66Å; E374-R381 PolarHBondContact O-NH2 3.27Å; E374-R653 IonicContact OE1-CZ 3.78Å; E374-R653 IonicContact OE1-NE 3.9Å; E374-R653 PolarHBondContact OE1-NE 3.19Å; E374-R653 IonicContact OE1-NH2 2.81Å; E374-R653 PolarHBondContact OE1-NH2 2.91Å; E374-R653 VanDerWaalsContact OE1-NH2 3.14Å; E374-R653 IonicContact OE2-CZ 3.63Å; E374-R653 IonicContact OE2-NE 3.5Å; E374-R653 IonicContact OE2-NH2 3.41Å; E374-R653 PolarHBondContact OE2-NH2 3.09Å; E374-Y677 HydrophobicContact CG-CE1 4.34Å; E374-Y677 WeakPolarHBondContact OE1-CE1 3.36Å
375	D	89.7	Confident	94.7	Very high	56 Å²	56	33.8 Å²	33.8	30%	0.299	20%	0.202	S	C	.	.			trans	-83.5	179.9	171.7	67.6	26.7	0	0	0	111.9	A377 Q378 G379 R381	D375-A377 PolarHBondContact O-N 3.29Å; D375-A377 VanDerWaalsContact O-N 3.11Å; D375-A377 WeakPolarHBondContact OD1-CA 3.3Å; D375-A377 WeakPolarHBondContact OD1-CB 3.31Å; D375-A377 PolarHBondContact OD1-N 2.71Å; D375-Q378 PolarHBondContact O-N 2.86Å; D375-Q378 VanDerWaalsContact O-N 3.09Å; D375-Q378 PolarHBondContact OD1-N 3.05Å; D375-G379 VanDerWaalsContact CG-O 3.24Å; D375-G379 PolarHBondContact N-O 3.18Å; D375-G379 PolarHBondContact OD1-N 2.88Å; D375-R381 HydrophobicContact CB-CG 4.27Å
376	G	84.3	Confident	94.8	Very high	94 Å²	94	29.3 Å²	29.3	97%	0.969	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-7.2	179.4	0	0	0	0	0	115
377	A	85.7	Confident	94.9	Very high	82 Å²	82	27.9 Å²	27.9	68%	0.678	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.5	16.8	174.8	0	0	0	0	0	112.3	D375 G379	D375-A377 PolarHBondContact O-N 3.29Å; D375-A377 VanDerWaalsContact O-N 3.11Å; D375-A377 WeakPolarHBondContact OD1-CA 3.3Å; D375-A377 WeakPolarHBondContact OD1-CB 3.31Å; D375-A377 PolarHBondContact OD1-N 2.71Å; A377-G379 PolarHBondContact O-N 3.01Å
378	Q	86.2	Confident	94.9	Very high	90 Å²	90	29 Å²	29	42%	0.421	18%	0.179	S	C	.	.	S	Bend	trans	60.8	18.3	-175.5	-54.4	179.8	-49.9	0	0	113.8	D375	D375-Q378 PolarHBondContact O-N 2.86Å; D375-Q378 VanDerWaalsContact O-N 3.09Å; D375-Q378 PolarHBondContact OD1-N 3.05Å
379	G	92.4	Very high	94.8	Very high	5 Å²	5	30 Å²	30	5%	0.052	19%	0.19	C	C	.	.			trans	-87	130.7	173.3	0	0	0	0	0	111.2	E374 D375 A377 R381	E374-G379 CarbonylContact C-O 3.58Å; E374-G379 VanDerWaalsContact CA-O 3.3Å; E374-G379 WeakPolarHBondContact CA-O 3.31Å; D375-G379 VanDerWaalsContact CG-O 3.24Å; D375-G379 PolarHBondContact N-O 3.18Å; D375-G379 PolarHBondContact OD1-N 2.88Å; A377-G379 PolarHBondContact O-N 3.01Å; G379-R381 PolarHBondContact O-N 3.32Å
380	A	96.2	Very high	94.9	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	18%	0.177	C	C	.	.	B	Isolated β-bridge	trans	-57.4	130.5	171	0	0	0	0	0	111.7	S373 F382 A597 P652	S373-A380 WeakPolarHBondContact O-CA 3.46Å; A380-F382 VanDerWaalsContact C-N 3.35Å; A380-F382 PolarHBondContact O-N 3.41Å; A380-A597 HydrophobicContact CB-CB 3.84Å; A380-P652 HydrophobicContact CB-CB 3.35Å; A380-P652 HydrophobicContact CB-CG 3.95Å
381	R	95.8	Very high	94.9	Very high	131 Å²	131	27.4 Å²	27.4	49%	0.494	17%	0.173	S	C	.	.	S	Bend	trans	-71.9	-28.1	-174.5	-61.5	-179.7	-165.5	-179.6	4.8	113.5	S373 E374 D375 G379	S373-R381 WeakPolarHBondContact O-CG 3.44Å; S373-R381 PolarHBondContact O-N 3.09Å; E374-R381 VanDerWaalsContact O-CZ 3.25Å; E374-R381 PolarHBondContact O-NE 2.66Å; E374-R381 PolarHBondContact O-NH2 3.27Å; D375-R381 HydrophobicContact CB-CG 4.27Å; G379-R381 PolarHBondContact O-N 3.32Å
382	F	98	Very high	94.8	Very high	13 Å²	13	30.5 Å²	30.5	6%	0.057	20%	0.195	C	C	.	.			trans	-119.5	146.4	178	-53	-82.4	0	0	0	109	I334 S343 V345 L370 A380	I334-F382 HydrophobicContact CD1-CE1 4.16Å; I334-F382 HydrophobicContact CD1-CZ 4.28Å; I334-F382 HydrophobicContact CG1-CE1 4.16Å; I334-F382 HydrophobicContact CG2-CE1 3.91Å; S343-F382 CarbonylContact O-C 3.25Å; S343-F382 VanDerWaalsContact O-CA 3.31Å; S343-F382 WeakPolarHBondContact O-CA 3.34Å; V345-F382 HydrophobicContact CB-CD1 3.91Å; V345-F382 HydrophobicContact CB-CE1 4.11Å; V345-F382 HydrophobicContact CB-CG 4.16Å; V345-F382 HydrophobicContact CG1-CB 4.33Å; V345-F382 HydrophobicContact CG1-CD1 4.32Å; V345-F382 HydrophobicContact CG1-CD2 4.29Å; V345-F382 HydrophobicContact CG1-CG 4.05Å; L370-F382 HydrophobicContact CD1-CE2 3.63Å; L370-F382 HydrophobicContact CD1-CZ 4.07Å; L370-F382 HydrophobicContact CG-CE2 3.81Å; L370-F382 HydrophobicContact CG-CZ 4.3Å; L370-F382 WeakPolarHBondContact O-CD2 3.17Å; A380-F382 VanDerWaalsContact C-N 3.35Å; A380-F382 PolarHBondContact O-N 3.41Å
383	V	98.4	Very high	94.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.211	C	C	.	.	S	Bend	trans	-85.9	-17.6	176.1	-64	0	0	0	0	113.2	A342 S343 V344 C594 F595 H596 A639 I641 V655	A342-V383 HydrophobicContact CB-CG1 3.8Å; A342-V383 HydrophobicContact CB-CG2 4.29Å; S343-V383 PolarHBondContact O-N 2.97Å; V344-V383 HydrophobicContact CG2-CG2 4Å; V383-C594 HydrophobicContact CB-CB 3.75Å; V383-C594 HydrophobicContact CG2-CB 3.82Å; V383-F595 WeakPolarHBondContact CG1-O 3.43Å; V383-H596 HydrophobicContact CG1-CB 4.31Å; V383-A639 HydrophobicContact CG2-CB 3.6Å; V383-I641 HydrophobicContact CG2-CD1 4.4Å; V383-V655 HydrophobicContact CB-CG1 4.19Å; V383-V655 WeakPolarHBondContact O-CG1 3.47Å
384	M	98.7	Very high	94.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	21%	0.208	C	C	.	.			trans	-159.7	143.4	173.6	-170.5	173.9	-84	0	0	109.5	V344 V345 I386 V592 I641 L643 Y649 F650 I651	V344-M384 HydrophobicContact CG1-CB 4.23Å; V344-M384 WeakPolarHBondContact CG1-O 3.14Å; V345-M384 PolarHBondContact N-O 3.37Å; M384-I386 HydrophobicContact CB-CG1 4.47Å; M384-I386 HydrophobicContact CG-CD1 4.22Å; M384-I386 HydrophobicContact CG-CG1 3.7Å; M384-I386 HydrophobicContact SD-CD1 3.92Å; M384-I386 HydrophobicContact SD-CG1 3.83Å; M384-V592 HydrophobicContact CE-CG1 4.27Å; M384-I641 HydrophobicContact CB-CD1 3.72Å; M384-I641 HydrophobicContact CG-CD1 4.39Å; M384-I641 HydrophobicContact SD-CD1 3.86Å; M384-I641 HydrophobicContact SD-CG2 4.22Å; M384-L643 HydrophobicContact CE-CD1 4.39Å; M384-L643 HydrophobicContact SD-CD1 4.17Å; M384-L643 HydrophobicContact SD-CD2 3.93Å; M384-L643 HydrophobicContact SD-CG 4.48Å; M384-Y649 HydrophobicContact CE-CD2 3.9Å; M384-Y649 HydrophobicContact CE-CE2 4.49Å; M384-Y649 HydrophobicContact CE-CG 4.5Å; M384-Y649 HydrophobicContact SD-CD2 4.37Å; M384-Y649 HydrophobicContact SD-CG 4.44Å; M384-F650 CarbonylContact C-O 3.56Å; M384-F650 VanDerWaalsContact CA-O 3.25Å; M384-F650 WeakPolarHBondContact CA-O 3.37Å; M384-F650 WeakPolarHBondContact CG-O 3.3Å; M384-I651 HydrophobicContact CE-CD1 3.74Å; M384-I651 HydrophobicContact CE-CG1 3.66Å
385	G	98.6	Very high	94.7	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	138.9	161.2	0	0	0	0	0	110	V345 Y649 F650	V345-G385 CarbonylContact O-C 3.53Å; V345-G385 WeakPolarHBondContact O-CA 3.4Å; G385-Y649 CarbonylContact O-C 3.52Å; G385-Y649 VanDerWaalsContact O-CA 3.29Å; G385-Y649 WeakPolarHBondContact O-CA 3.38Å; G385-F650 PolarHBondContact N-O 3.02Å; G385-F650 PolarHBondContact O-N 3.37Å
386	I	98.8	Very high	94.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	133.2	-173.5	-48.3	166.9	0	0	0	110	V344 V345 H346 A347 F367 M384 H388 I641 L643 D647 I648	V344-I386 HydrophobicContact CG1-CD1 3.69Å; V344-I386 HydrophobicContact CG1-CG1 4.29Å; V345-I386 PolarHBondContact O-N 2.8Å; H346-I386 CarbonylContact C-O 3.58Å; H346-I386 VanDerWaalsContact CA-O 3.29Å; H346-I386 WeakPolarHBondContact CA-O 3.48Å; A347-I386 PolarHBondContact N-O 2.92Å; F367-I386 WeakPolarHBondContact CZ-O 3.23Å; M384-I386 HydrophobicContact CB-CG1 4.47Å; M384-I386 HydrophobicContact CG-CD1 4.22Å; M384-I386 HydrophobicContact CG-CG1 3.7Å; M384-I386 HydrophobicContact SD-CD1 3.92Å; M384-I386 HydrophobicContact SD-CG1 3.83Å; I386-H388 VanDerWaalsContact CG2-CE1 3.45Å; I386-H388 WeakPolarHBondContact CG2-CE1 3.45Å; I386-I641 HydrophobicContact CD1-CG2 3.48Å; I386-I641 VanDerWaalsContact CD1-CG2 3.48Å; I386-L643 HydrophobicContact CD1-CD2 3.73Å; I386-L643 HydrophobicContact CG1-CD2 4.06Å; I386-L643 HydrophobicContact CG2-CD2 3.97Å; I386-D647 HydrophobicContact CG2-CB 4.46Å; I386-I648 WeakPolarHBondContact CA-O 3.27Å
387	I	98.5	Very high	95.4	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	106.9	172.2	-43.5	176.6	0	0	0	108.3	A347 L352 F367 A390 F475 I648 F650	A347-I387 HydrophobicContact CB-CG2 4.26Å; A347-I387 WeakPolarHBondContact O-CA 3.46Å; L352-I387 HydrophobicContact CD1-CG2 3.94Å; F367-I387 HydrophobicContact CD1-CD1 3.74Å; F367-I387 HydrophobicContact CD1-CG1 3.9Å; F367-I387 HydrophobicContact CE1-CD1 3.8Å; F367-I387 HydrophobicContact CE1-CG1 3.43Å; F367-I387 VanDerWaalsContact CE1-CG1 3.43Å; F367-I387 HydrophobicContact CG-CD1 4.49Å; F367-I387 HydrophobicContact CZ-CG1 3.86Å; I387-A390 HydrophobicContact CB-CB 3.81Å; I387-A390 HydrophobicContact CG2-CB 3.62Å; I387-F475 HydrophobicContact CD1-CB 4.26Å; I387-F475 HydrophobicContact CD1-CD1 3.26Å; I387-F475 HydrophobicContact CD1-CD2 3.82Å; I387-F475 HydrophobicContact CD1-CE1 3.4Å; I387-F475 HydrophobicContact CD1-CE2 3.94Å; I387-F475 HydrophobicContact CD1-CG 3.5Å; I387-F475 VanDerWaalsContact CD1-CG 3.5Å; I387-F475 HydrophobicContact CD1-CZ 3.75Å; I387-F475 HydrophobicContact CG2-CE2 4.48Å; I387-F475 HydrophobicContact CG2-CZ 4.48Å; I387-I648 PolarHBondContact N-O 3.25Å; I387-I648 PolarHBondContact O-N 3.07Å; I387-I648 VanDerWaalsContact O-N 3.13Å; I387-F650 HydrophobicContact CD1-CE2 3.89Å; I387-F650 HydrophobicContact CD1-CZ 4.32Å; I387-F650 HydrophobicContact CG1-CE2 4.06Å
388	H	98.1	Very high	95.9	Very high	24 Å²	24	25 Å²	25	11%	0.111	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	123	-172.1	-68.4	-67.1	0	0	0	111.3	H346 A347 Y348 T349 I386 A390 D647	H346-H388 AromaticContact CE1-NE2 3.88Å; H346-H388 AromaticContact ND1-CD2 3.84Å; H346-H388 AromaticContact ND1-NE2 3.02Å; H346-H388 PolarHBondContact ND1-NE2 3.5Å; A347-H388 PolarHBondContact O-N 3.16Å; Y348-H388 HydrophobicContact CD1-CB 3.68Å; Y348-H388 AromaticContact CD1-CD2 3.71Å; Y348-H388 AromaticContact CD1-CG 3.99Å; Y348-H388 HydrophobicContact CE1-CB 4.06Å; Y348-H388 AromaticContact CE1-CD2 3.24Å; Y348-H388 WeakPolarHBondContact CE1-CD2 3.43Å; Y348-H388 AromaticContact CE1-CG 3.84Å; Y348-H388 AromaticContact CZ-CD2 3.85Å; T349-H388 WeakPolarHBondContact CB-O 3.5Å; T349-H388 PolarHBondContact N-O 3.38Å; T349-H388 PolarHBondContact OG1-O 3.22Å; I386-H388 VanDerWaalsContact CG2-CE1 3.45Å; I386-H388 WeakPolarHBondContact CG2-CE1 3.45Å; H388-A390 VanDerWaalsContact C-N 3.34Å; H388-D647 WeakPolarHBondContact CA-OD1 3.36Å; H388-D647 IonicContact CE1-OD1 2.8Å; H388-D647 IonicContact CE1-OD2 2.72Å; H388-D647 PolarHBondContact CE1-OD2 3.49Å; H388-D647 IonicContact CG-OD1 3.94Å; H388-D647 IonicContact ND1-OD1 2.71Å; H388-D647 PolarHBondContact ND1-OD1 2.99Å; H388-D647 IonicContact ND1-OD2 3.68Å; H388-D647 PolarHBondContact ND1-OD2 3.01Å; H388-D647 VanDerWaalsContact ND1-OD2 3.1Å
389	G	96.2	Very high	96.3	Very high	21 Å²	21	23 Å²	23	22%	0.216	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	-1.1	-177.5	0	0	0	0	0	115.5	A391 S392 D646	G389-A391 PolarHBondContact O-N 3Å; G389-S392 WeakPolarHBondContact O-CB 3.15Å; G389-S392 PolarHBondContact O-N 3.33Å; G389-S392 PolarHBondContact O-OG 3.19Å; G389-D646 CarbonylContact C-O 3.53Å; G389-D646 VanDerWaalsContact CA-O 3.28Å; G389-D646 WeakPolarHBondContact CA-O 3.37Å; G389-D646 PolarHBondContact N-O 3.44Å
390	A	97.1	Very high	96.4	Very high	8 Å²	8	24.3 Å²	24.3	7%	0.066	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-15.2	-174	0	0	0	0	0	115	T349 I387 H388 Y393 F475 D646 I648	T349-A390 VanDerWaalsContact OG1-CA 3.25Å; T349-A390 WeakPolarHBondContact OG1-CA 3.24Å; T349-A390 PolarHBondContact OG1-N 2.96Å; T349-A390 VanDerWaalsContact OG1-N 3.13Å; I387-A390 HydrophobicContact CB-CB 3.81Å; I387-A390 HydrophobicContact CG2-CB 3.62Å; H388-A390 VanDerWaalsContact C-N 3.34Å; A390-Y393 WeakPolarHBondContact O-CD1 3.28Å; A390-Y393 WeakPolarHBondContact O-CE1 3.14Å; A390-F475 HydrophobicContact CB-CD2 4.5Å; A390-F475 HydrophobicContact CB-CE2 4.42Å; A390-D646 PolarHBondContact N-O 2.76Å; A390-I648 HydrophobicContact CB-CB 4.38Å; A390-I648 HydrophobicContact CB-CD1 3.64Å; A390-I648 HydrophobicContact CB-CG1 3.96Å
391	A	97.1	Very high	96.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	8.8	174	0	0	0	0	0	113.7	G389 Y393 L394 V572 K574 D646 I648	G389-A391 PolarHBondContact O-N 3Å; A391-Y393 PolarHBondContact O-N 3.22Å; A391-L394 HydrophobicContact CB-CD1 4.26Å; A391-L394 WeakPolarHBondContact O-CB 3.17Å; A391-L394 PolarHBondContact O-N 3.02Å; A391-L394 VanDerWaalsContact O-N 3.09Å; A391-V572 HydrophobicContact CB-CG1 3.41Å; A391-V572 VanDerWaalsContact CB-CG1 3.41Å; A391-K574 HydrophobicContact CB-CD 4.47Å; A391-K574 PolarHBondContact O-NZ 3.27Å; A391-D646 WeakPolarHBondContact CB-O 3.39Å; A391-D646 PolarHBondContact N-O 2.77Å; A391-I648 HydrophobicContact CB-CD1 4.41Å; A391-I648 HydrophobicContact CB-CG1 3.94Å
392	S	94.8	Very high	96.5	Very high	65 Å²	65	18.9 Å²	18.9	46%	0.455	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-36.1	-180	50.4	0	0	0	0	113.5	G389 L394 D646	G389-S392 WeakPolarHBondContact O-CB 3.15Å; G389-S392 PolarHBondContact O-N 3.33Å; G389-S392 PolarHBondContact O-OG 3.19Å; S392-L394 PolarHBondContact O-N 3.47Å; S392-D646 WeakPolarHBondContact CA-OD2 3.09Å
393	Y	94.9	Very high	96.3	Very high	90 Å²	90	27.7 Å²	27.7	35%	0.353	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-22.1	177.7	80.9	-79.5	0	0	0	114.3	A390 A391 M469 E472 S473	A390-Y393 WeakPolarHBondContact O-CD1 3.28Å; A390-Y393 WeakPolarHBondContact O-CE1 3.14Å; A391-Y393 PolarHBondContact O-N 3.22Å; Y393-M469 WeakPolarHBondContact CE2-O 3.49Å; Y393-M469 PolarHBondContact OH-O 3.04Å; Y393-E472 HydrophobicContact CE2-CB 3.98Å; Y393-S473 VanDerWaalsContact OH-CB 3.28Å; Y393-S473 WeakPolarHBondContact OH-CB 3.17Å
394	L	96	Very high	96.3	Very high	6 Å²	6	32.1 Å²	32.1	3%	0.031	16%	0.159	C	C	.	.	S	Bend	trans	-78.1	151.7	177.8	-65.2	173.4	0	0	0	112.2	A391 S392 F397 M469 L470 V572 K574	A391-L394 HydrophobicContact CB-CD1 4.26Å; A391-L394 WeakPolarHBondContact O-CB 3.17Å; A391-L394 PolarHBondContact O-N 3.02Å; A391-L394 VanDerWaalsContact O-N 3.09Å; S392-L394 PolarHBondContact O-N 3.47Å; L394-F397 HydrophobicContact CB-CE1 4.01Å; L394-F397 HydrophobicContact CD1-CE1 4Å; L394-F397 HydrophobicContact CD1-CZ 4.07Å; L394-M469 HydrophobicContact CD2-CB 3.83Å; L394-L470 HydrophobicContact CD1-CD2 3.82Å; L394-L470 HydrophobicContact CD2-CD2 4.27Å; L394-V572 HydrophobicContact CD1-CG1 4.1Å; L394-K574 HydrophobicContact CB-CD 4.49Å; L394-K574 WeakPolarHBondContact O-CE 3.31Å; L394-K574 PolarHBondContact O-NZ 3.37Å
395	P	93.8	Very high	96.2	Very high	43 Å²	43	35 Å²	35	28%	0.279	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-70	164.3	173.5	30.4	-36.3	0	0	0	112.9	F397 Y400 M469 K574	P395-F397 VanDerWaalsContact O-CD1 3.27Å; P395-F397 WeakPolarHBondContact O-CD1 3.17Å; P395-F397 PolarHBondContact O-N 3.2Å; P395-F397 VanDerWaalsContact O-N 3.16Å; P395-Y400 HydrophobicContact CB-CD2 4.33Å; P395-Y400 HydrophobicContact CG-CD2 3.8Å; P395-Y400 HydrophobicContact CG-CG 4.02Å; P395-M469 HydrophobicContact CG-CE 4.31Å; P395-K574 VanDerWaalsContact O-CE 3.24Å; P395-K574 WeakPolarHBondContact O-CE 3.45Å
396	D	92.9	Very high	96.1	Very high	24 Å²	24	37.1 Å²	37.1	13%	0.128	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-59	118.5	160.5	177.2	-49.2	0	0	0	107.7	L398 D399 Y400 R577	D396-L398 VanDerWaalsContact C-N 3.33Å; D396-L398 PolarHBondContact O-N 3.17Å; D396-L398 PolarHBondContact OD1-N 3.21Å; D396-D399 HydrophobicContact CB-CB 4.17Å; D396-D399 PolarHBondContact O-N 2.83Å; D396-D399 PolarHBondContact OD1-N 2.68Å; D396-Y400 VanDerWaalsContact O-CB 3.31Å; D396-Y400 WeakPolarHBondContact O-CB 3.2Å; D396-Y400 PolarHBondContact O-N 2.98Å; D396-R577 PolarHBondContact OD2-N 2.98Å; D396-R577 VanDerWaalsContact OD2-N 3.11Å
397	F	95.6	Very high	96	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-38.8	-172.2	-55.1	-30.8	0	0	0	111.9	L394 P395 Y400 F401 F466 M502 V572 K574 C666 L668	L394-F397 HydrophobicContact CB-CE1 4.01Å; L394-F397 HydrophobicContact CD1-CE1 4Å; L394-F397 HydrophobicContact CD1-CZ 4.07Å; P395-F397 VanDerWaalsContact O-CD1 3.27Å; P395-F397 WeakPolarHBondContact O-CD1 3.17Å; P395-F397 PolarHBondContact O-N 3.2Å; P395-F397 VanDerWaalsContact O-N 3.16Å; F397-Y400 PolarHBondContact O-N 3.21Å; F397-F401 WeakPolarHBondContact O-CB 3.49Å; F397-F401 VanDerWaalsContact O-CD2 3.26Å; F397-F401 WeakPolarHBondContact O-CD2 3.22Å; F397-F401 PolarHBondContact O-N 2.83Å; F397-F466 AromaticContact CD1-CE2 3.76Å; F397-F466 HydrophobicContact CD1-CE2 3.76Å; F397-F466 AromaticContact CD1-CZ 3.54Å; F397-F466 HydrophobicContact CD1-CZ 3.54Å; F397-F466 HydrophobicContact CE1-CE2 4.1Å; F397-F466 AromaticContact CE1-CZ 3.64Å; F397-F466 HydrophobicContact CE1-CZ 3.64Å; F397-F466 HydrophobicContact CG-CZ 4.21Å; F397-F466 HydrophobicContact CZ-CZ 4.39Å; F397-M502 HydrophobicContact CB-SD 3.83Å; F397-V572 HydrophobicContact CZ-CG1 4.08Å; F397-K574 HydrophobicContact CD1-CG 3.87Å; F397-K574 HydrophobicContact CD2-CB 4.13Å; F397-K574 HydrophobicContact CD2-CG 3.78Å; F397-K574 HydrophobicContact CE1-CD 4.28Å; F397-K574 HydrophobicContact CE1-CG 3.55Å; F397-K574 HydrophobicContact CE2-CB 4.13Å; F397-K574 HydrophobicContact CE2-CG 3.42Å; F397-K574 VanDerWaalsContact CE2-CG 3.42Å; F397-K574 HydrophobicContact CG-CB 4.42Å; F397-K574 HydrophobicContact CG-CG 4Å; F397-K574 HydrophobicContact CZ-CB 4.47Å; F397-K574 HydrophobicContact CZ-CD 4.14Å; F397-K574 HydrophobicContact CZ-CG 3.32Å; F397-C666 HydrophobicContact CB-CB 3.95Å; F397-C666 HydrophobicContact CD2-CB 3.65Å; F397-C666 HydrophobicContact CG-CB 4.23Å; F397-L668 HydrophobicContact CD2-CD2 4.45Å; F397-L668 HydrophobicContact CD2-CG 4.11Å; F397-L668 HydrophobicContact CE1-CD1 4.21Å; F397-L668 HydrophobicContact CE2-CD1 3.77Å; F397-L668 HydrophobicContact CE2-CD2 4.34Å; F397-L668 HydrophobicContact CE2-CG 3.54Å; F397-L668 HydrophobicContact CZ-CD1 3.55Å; F397-L668 HydrophobicContact CZ-CG 3.89Å
398	L	95.5	Very high	95.9	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	23%	0.23	C	C	.	.	H	α-helix	trans	-71.3	-42.5	-178.1	-178.5	64.6	0	0	0	110.9	D396 S402 M425 F428 H429 V432 V576	D396-L398 VanDerWaalsContact C-N 3.33Å; D396-L398 PolarHBondContact O-N 3.17Å; D396-L398 PolarHBondContact OD1-N 3.21Å; L398-S402 WeakPolarHBondContact O-CB 3.44Å; L398-S402 PolarHBondContact O-N 2.8Å; L398-S402 PolarHBondContact O-OG 3.34Å; L398-M425 HydrophobicContact CD1-SD 3.76Å; L398-F428 HydrophobicContact CD1-CD1 3.71Å; L398-F428 HydrophobicContact CD1-CE1 3.74Å; L398-F428 HydrophobicContact CD2-CE1 4.36Å; L398-H429 HydrophobicContact CD1-CB 4.23Å; L398-H429 HydrophobicContact CG-CB 4.33Å; L398-V432 HydrophobicContact CD2-CB 4.05Å; L398-V432 HydrophobicContact CD2-CG1 3.8Å; L398-V432 HydrophobicContact CD2-CG2 4.09Å; L398-V576 HydrophobicContact CD2-CG1 4.4Å
399	D	94.3	Very high	95.7	Very high	49 Å²	49	47.1 Å²	47.1	26%	0.262	25%	0.247	S	C	.	.	H	α-helix	trans	-62	-46.1	172.8	-79.4	-35.5	0	0	0	110.6	D396 S402 Y403 H429	D396-D399 HydrophobicContact CB-CB 4.17Å; D396-D399 PolarHBondContact O-N 2.83Å; D396-D399 PolarHBondContact OD1-N 2.68Å; D399-S402 PolarHBondContact O-N 3.11Å; D399-S402 PolarHBondContact O-OG 2.85Å; D399-Y403 PolarHBondContact O-N 3.31Å; D399-Y403 VanDerWaalsContact O-N 3.08Å; D399-H429 IonicContact OD1-CD2 3.5Å; D399-H429 IonicContact OD1-CE1 3.1Å; D399-H429 IonicContact OD1-NE2 2.84Å; D399-H429 PolarHBondContact OD1-NE2 3.46Å
400	Y	95.6	Very high	95.7	Very high	32 Å²	32	46.1 Å²	46.1	13%	0.125	24%	0.236	C	C	.	.	H	α-helix	trans	-57	-55.9	177.9	178.5	-93	0	0	0	112.9	P395 D396 F397 S402 Y403 K404 F405 F466 M469	P395-Y400 HydrophobicContact CB-CD2 4.33Å; P395-Y400 HydrophobicContact CG-CD2 3.8Å; P395-Y400 HydrophobicContact CG-CG 4.02Å; D396-Y400 VanDerWaalsContact O-CB 3.31Å; D396-Y400 WeakPolarHBondContact O-CB 3.2Å; D396-Y400 PolarHBondContact O-N 2.98Å; F397-Y400 PolarHBondContact O-N 3.21Å; Y400-S402 VanDerWaalsContact C-N 3.31Å; Y400-S402 PolarHBondContact O-N 2.94Å; Y400-Y403 PolarHBondContact O-N 3.01Å; Y400-K404 HydrophobicContact CD2-CG 4.28Å; Y400-K404 HydrophobicContact CE1-CB 4.42Å; Y400-K404 HydrophobicContact CE1-CG 4.26Å; Y400-K404 HydrophobicContact CE2-CD 4.44Å; Y400-K404 HydrophobicContact CE2-CG 3.85Å; Y400-K404 WeakPolarHBondContact O-CB 3.5Å; Y400-K404 PolarHBondContact O-N 2.69Å; Y400-F405 HydrophobicContact CE1-CD2 4.5Å; Y400-F405 HydrophobicContact CE1-CE2 4.03Å; Y400-F466 AromaticContact CD1-CD2 3.7Å; Y400-F466 HydrophobicContact CD1-CD2 3.7Å; Y400-F466 HydrophobicContact CD1-CE2 4.15Å; Y400-F466 HydrophobicContact CE1-CB 4.08Å; Y400-F466 AromaticContact CE1-CD2 3.5Å; Y400-F466 HydrophobicContact CE1-CD2 3.5Å; Y400-F466 VanDerWaalsContact CE1-CD2 3.5Å; Y400-F466 HydrophobicContact CE1-CE2 4.38Å; Y400-F466 HydrophobicContact CE1-CG 4.19Å; Y400-F466 HydrophobicContact CG-CD2 4.47Å; Y400-M469 HydrophobicContact CD2-CE 4.4Å; Y400-M469 HydrophobicContact CE1-CE 4.41Å; Y400-M469 HydrophobicContact CE2-CE 3.73Å
401	F	96.8	Very high	95.7	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.009	25%	0.245	C	C	.	.	H	α-helix	trans	-68.5	-29.2	-178.8	-79.2	-81.5	0	0	0	112.1	F397 Y403 F405 M425 L451 F463 F466 M502	F397-F401 WeakPolarHBondContact O-CB 3.49Å; F397-F401 VanDerWaalsContact O-CD2 3.26Å; F397-F401 WeakPolarHBondContact O-CD2 3.22Å; F397-F401 PolarHBondContact O-N 2.83Å; F401-Y403 VanDerWaalsContact C-N 3.32Å; F401-Y403 PolarHBondContact O-N 3.46Å; F401-F405 HydrophobicContact CD1-CB 4.41Å; F401-F405 AromaticContact CD1-CD2 3.58Å; F401-F405 HydrophobicContact CD1-CD2 3.58Å; F401-F405 HydrophobicContact CD1-CE2 4.31Å; F401-F405 HydrophobicContact CD1-CG 4.34Å; F401-F405 AromaticContact CE1-CD2 3.94Å; F401-F405 HydrophobicContact CE1-CD2 3.94Å; F401-F405 HydrophobicContact CE1-CE2 4.26Å; F401-F405 CarbonylContact O-C 3.58Å; F401-F405 VanDerWaalsContact O-CA 3.31Å; F401-F405 WeakPolarHBondContact O-CA 3.42Å; F401-F405 PolarHBondContact O-N 3.21Å; F401-M425 HydrophobicContact CB-CE 3.87Å; F401-M425 HydrophobicContact CB-CG 4.03Å; F401-M425 HydrophobicContact CB-SD 4.32Å; F401-L451 HydrophobicContact CE1-CD2 4.18Å; F401-L451 HydrophobicContact CE2-CD2 4.42Å; F401-L451 HydrophobicContact CZ-CD1 4.45Å; F401-L451 HydrophobicContact CZ-CD2 3.72Å; F401-F463 HydrophobicContact CD1-CD1 4.47Å; F401-F463 HydrophobicContact CD1-CE1 4.26Å; F401-F463 HydrophobicContact CD1-CZ 4.4Å; F401-F463 HydrophobicContact CE1-CB 4.32Å; F401-F463 AromaticContact CE1-CD1 3.76Å; F401-F463 HydrophobicContact CE1-CD1 3.76Å; F401-F463 AromaticContact CE1-CD2 3.85Å; F401-F463 HydrophobicContact CE1-CD2 3.85Å; F401-F463 AromaticContact CE1-CE1 3.89Å; F401-F463 HydrophobicContact CE1-CE1 3.89Å; F401-F463 AromaticContact CE1-CE2 3.99Å; F401-F463 HydrophobicContact CE1-CE2 3.99Å; F401-F463 AromaticContact CE1-CG 3.72Å; F401-F463 HydrophobicContact CE1-CG 3.72Å; F401-F463 AromaticContact CE1-CZ 4Å; F401-F463 HydrophobicContact CE1-CZ 4Å; F401-F463 HydrophobicContact CZ-CD2 4.37Å; F401-F463 HydrophobicContact CZ-CG 4.36Å; F401-F466 HydrophobicContact CE2-CD1 4.21Å; F401-F466 AromaticContact CE2-CD2 3.82Å; F401-F466 HydrophobicContact CE2-CD2 3.82Å; F401-F466 HydrophobicContact CE2-CE1 4.14Å; F401-F466 AromaticContact CE2-CE2 3.74Å; F401-F466 HydrophobicContact CE2-CE2 3.74Å; F401-F466 HydrophobicContact CE2-CG 4.05Å; F401-F466 AromaticContact CE2-CZ 3.9Å; F401-F466 HydrophobicContact CE2-CZ 3.9Å; F401-F466 HydrophobicContact CZ-CB 4.22Å; F401-F466 AromaticContact CZ-CD1 3.98Å; F401-F466 HydrophobicContact CZ-CD1 3.98Å; F401-F466 AromaticContact CZ-CD2 3.98Å; F401-F466 HydrophobicContact CZ-CD2 3.98Å; F401-F466 HydrophobicContact CZ-CE1 4.32Å; F401-F466 HydrophobicContact CZ-CE2 4.32Å; F401-F466 AromaticContact CZ-CG 3.78Å; F401-F466 HydrophobicContact CZ-CG 3.78Å; F401-F466 HydrophobicContact CZ-CZ 4.48Å; F401-M502 HydrophobicContact CB-CE 4.42Å; F401-M502 HydrophobicContact CD1-CE 4.31Å; F401-M502 HydrophobicContact CD2-CE 3.45Å; F401-M502 VanDerWaalsContact CD2-CE 3.45Å; F401-M502 HydrophobicContact CD2-SD 3.56Å; F401-M502 VanDerWaalsContact CD2-SD 3.56Å; F401-M502 HydrophobicContact CE1-CE 4.5Å; F401-M502 HydrophobicContact CE2-CE 3.69Å; F401-M502 HydrophobicContact CE2-SD 3.6Å; F401-M502 HydrophobicContact CG-CE 3.81Å; F401-M502 HydrophobicContact CG-SD 4.48Å; F401-M502 HydrophobicContact CZ-CE 4.23Å
402	S	95.9	Very high	95.6	Very high	16 Å²	16	48.8 Å²	48.8	11%	0.112	25%	0.247	C	C	.	.	H	α-helix	trans	-65.7	-33.6	172.6	79.2	0	0	0	0	113.2	L398 D399 Y400 P406 H429	L398-S402 WeakPolarHBondContact O-CB 3.44Å; L398-S402 PolarHBondContact O-N 2.8Å; L398-S402 PolarHBondContact O-OG 3.34Å; D399-S402 PolarHBondContact O-N 3.11Å; D399-S402 PolarHBondContact O-OG 2.85Å; Y400-S402 VanDerWaalsContact C-N 3.31Å; Y400-S402 PolarHBondContact O-N 2.94Å; S402-P406 WeakPolarHBondContact O-CA 3.18Å; S402-P406 WeakPolarHBondContact O-CB 3.23Å; S402-H429 PolarHBondContact OG-CE1 2.81Å
403	Y	95.6	Very high	95.5	Very high	198 Å²	198	47.7 Å²	47.7	78%	0.776	23%	0.234	S	C	*	.	H	α-helix	trans	-86.5	-48.8	-177.7	179.4	-103.3	0	0	0	112.7	D399 Y400 F401	D399-Y403 PolarHBondContact O-N 3.31Å; D399-Y403 VanDerWaalsContact O-N 3.08Å; Y400-Y403 PolarHBondContact O-N 3.01Å; F401-Y403 VanDerWaalsContact C-N 3.32Å; F401-Y403 PolarHBondContact O-N 3.46Å
404	K	96.9	Very high	95.3	Very high	94 Å²	94	44.4 Å²	44.4	41%	0.409	22%	0.224	S	C	.	.	H	α-helix	trans	-75.3	-39.1	-179.7	-76	-92.2	-166.4	158.9	0	112.7	Y400 P406 E465	Y400-K404 HydrophobicContact CD2-CG 4.28Å; Y400-K404 HydrophobicContact CE1-CB 4.42Å; Y400-K404 HydrophobicContact CE1-CG 4.26Å; Y400-K404 HydrophobicContact CE2-CD 4.44Å; Y400-K404 HydrophobicContact CE2-CG 3.85Å; Y400-K404 WeakPolarHBondContact O-CB 3.5Å; Y400-K404 PolarHBondContact O-N 2.69Å; K404-P406 WeakPolarHBondContact O-CD 3.37Å; K404-E465 IonicContact NZ-OE1 2.66Å; K404-E465 IonicContact NZ-OE2 2.71Å; K404-E465 PolarHBondContact NZ-OE2 2.9Å
405	F	96.7	Very high	94.9	Very high	59 Å²	59	45 Å²	45	26%	0.259	23%	0.227	S	C	.	.			trans	-128.3	50.7	-171.6	-54.4	-75.5	0	0	0	112.5	Y400 F401 N407 A408 F463	Y400-F405 HydrophobicContact CE1-CD2 4.5Å; Y400-F405 HydrophobicContact CE1-CE2 4.03Å; F401-F405 HydrophobicContact CD1-CB 4.41Å; F401-F405 AromaticContact CD1-CD2 3.58Å; F401-F405 HydrophobicContact CD1-CD2 3.58Å; F401-F405 HydrophobicContact CD1-CE2 4.31Å; F401-F405 HydrophobicContact CD1-CG 4.34Å; F401-F405 AromaticContact CE1-CD2 3.94Å; F401-F405 HydrophobicContact CE1-CD2 3.94Å; F401-F405 HydrophobicContact CE1-CE2 4.26Å; F401-F405 CarbonylContact O-C 3.58Å; F401-F405 VanDerWaalsContact O-CA 3.31Å; F401-F405 WeakPolarHBondContact O-CA 3.42Å; F401-F405 PolarHBondContact O-N 3.21Å; F405-N407 PolarHBondContact O-N 2.79Å; F405-A408 HydrophobicContact CB-CB 4.05Å; F405-A408 VanDerWaalsContact O-CB 3.23Å; F405-A408 WeakPolarHBondContact O-CB 3.44Å; F405-A408 PolarHBondContact O-N 3.17Å; F405-F463 HydrophobicContact CB-CE1 4.27Å; F405-F463 AromaticContact CD1-CD1 3.99Å; F405-F463 HydrophobicContact CD1-CD1 3.99Å; F405-F463 AromaticContact CD1-CE1 3.78Å; F405-F463 HydrophobicContact CD1-CE1 3.78Å; F405-F463 AromaticContact CD2-CD1 3.83Å; F405-F463 HydrophobicContact CD2-CD1 3.83Å; F405-F463 AromaticContact CD2-CE1 3.88Å; F405-F463 HydrophobicContact CD2-CE1 3.88Å; F405-F463 AromaticContact CE1-CD1 3.8Å; F405-F463 HydrophobicContact CE1-CD1 3.8Å; F405-F463 HydrophobicContact CE1-CE1 4.08Å; F405-F463 AromaticContact CE2-CD1 3.64Å; F405-F463 HydrophobicContact CE2-CD1 3.64Å; F405-F463 HydrophobicContact CE2-CE1 4.17Å; F405-F463 HydrophobicContact CG-CD1 4.01Å; F405-F463 AromaticContact CG-CE1 3.69Å; F405-F463 HydrophobicContact CG-CE1 3.69Å; F405-F463 AromaticContact CZ-CD1 3.64Å; F405-F463 HydrophobicContact CZ-CD1 3.64Å; F405-F463 HydrophobicContact CZ-CE1 4.28Å
406	P	97.1	Very high	94.3	Very high	45 Å²	45	44.6 Å²	44.6	29%	0.292	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.8	-172.6	22.1	-34.5	0	0	0	114.2	S402 K404 T424 A426	S402-P406 WeakPolarHBondContact O-CA 3.18Å; S402-P406 WeakPolarHBondContact O-CB 3.23Å; K404-P406 WeakPolarHBondContact O-CD 3.37Å; P406-T424 WeakPolarHBondContact O-CB 3.25Å; P406-A426 HydrophobicContact CB-CB 3.69Å; P406-A426 WeakPolarHBondContact O-CB 3.2Å; P406-A426 PolarHBondContact O-N 2.83Å; P406-A426 VanDerWaalsContact O-N 3.08Å
407	N	96.9	Very high	93.9	Very high	134 Å²	134	46.7 Å²	46.7	72%	0.717	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.6	-2.8	-178.9	-63.8	-36.1	0	0	0	113.6	F405 T409	F405-N407 PolarHBondContact O-N 2.79Å; N407-T409 PolarHBondContact O-N 2.71Å
408	A	95.9	Very high	93.3	Very high	27 Å²	27	56.3 Å²	56.3	22%	0.223	28%	0.28	C	S	.	.			trans	-56.2	133.4	173.8	0	0	0	0	0	109.3	F405 T424 M425	F405-A408 HydrophobicContact CB-CB 4.05Å; F405-A408 VanDerWaalsContact O-CB 3.23Å; F405-A408 WeakPolarHBondContact O-CB 3.44Å; F405-A408 PolarHBondContact O-N 3.17Å; A408-T424 CarbonylContact O-C 3.51Å; A408-T424 WeakPolarHBondContact O-CA 3.36Å; A408-M425 HydrophobicContact CB-CB 4.3Å; A408-M425 PolarHBondContact O-N 2.92Å
409	T	95.2	Very high	93	Very high	74 Å²	74	60.6 Å²	60.6	45%	0.454	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	142.9	176.6	-64	0	0	0	0	109	N407 T422 V459	N407-T409 PolarHBondContact O-N 2.71Å; T409-T422 HydrophobicContact CG2-CG2 3.4Å; T409-T422 VanDerWaalsContact CG2-CG2 3.4Å; T409-V459 HydrophobicContact CG2-CG1 4.17Å; T409-V459 WeakPolarHBondContact O-CG1 3.39Å
410	V	96.3	Very high	92.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	145	172.4	-60.1	0	0	0	0	110	T422 T423 M425 F428 M446 V449	V410-T422 WeakPolarHBondContact O-CA 3.43Å; V410-T423 HydrophobicContact CG2-CG2 3.66Å; V410-T423 PolarHBondContact N-O 3.33Å; V410-T423 PolarHBondContact O-N 2.94Å; V410-M425 HydrophobicContact CG1-CB 4.22Å; V410-M425 HydrophobicContact CG1-CE 3.55Å; V410-M425 HydrophobicContact CG1-SD 4.04Å; V410-F428 HydrophobicContact CG2-CB 3.84Å; V410-F428 HydrophobicContact CG2-CG 4.41Å; V410-M446 HydrophobicContact CB-CG 4.09Å; V410-M446 HydrophobicContact CB-SD 3.9Å; V410-M446 HydrophobicContact CG1-SD 3.7Å; V410-M446 HydrophobicContact CG2-SD 4.47Å; V410-V449 HydrophobicContact CG1-CG2 4.3Å
411	K	95.9	Very high	92.9	Very high	57 Å²	57	65.1 Å²	65.1	25%	0.248	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.1	170.6	-76.3	169.4	-176	177.1	0	108.2	I420 R447 E457 V459	K411-I420 HydrophobicContact CB-CG2 3.89Å; K411-I420 HydrophobicContact CG-CG2 4.2Å; K411-R447 HydrophobicContact CB-CB 4.3Å; K411-R447 WeakPolarHBondContact O-CB 3.49Å; K411-R447 PolarHBondContact O-N 3.09Å; K411-E457 PolarHBondContact NZ-O 2.76Å; K411-V459 HydrophobicContact CD-CG2 3.61Å; K411-V459 VanDerWaalsContact CE-CG2 3.46Å; K411-V459 HydrophobicContact CG-CG2 3.89Å
412	M	94.8	Very high	92.8	Very high	6 Å²	6	69.3 Å²	69.3	3%	0.03	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	152.4	173.6	61.8	166.4	-75.9	0	0	111.4	I420 E421 T423 F428 A445	M412-I420 CarbonylContact O-C 3.48Å; M412-I420 WeakPolarHBondContact O-CA 3.27Å; M412-E421 HydrophobicContact CG-CB 4.19Å; M412-E421 WeakPolarHBondContact CG-O 3.33Å; M412-E421 PolarHBondContact N-O 3.13Å; M412-E421 PolarHBondContact O-N 3.11Å; M412-T423 HydrophobicContact CG-CG2 4.05Å; M412-T423 HydrophobicContact SD-CG2 3.99Å; M412-F428 HydrophobicContact CB-CD2 4.08Å; M412-F428 HydrophobicContact CB-CE2 4.3Å; M412-F428 HydrophobicContact SD-CD2 3.99Å; M412-A445 CarbonylContact C-O 3.44Å; M412-A445 VanDerWaalsContact CA-O 3.28Å; M412-A445 WeakPolarHBondContact CA-O 3.5Å
413	E	93.8	Very high	92.8	Very high	42 Å²	42	69.6 Å²	69.6	20%	0.196	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	142.6	173.9	-52.8	-163.8	126.8	0	0	109.9	L415 G444 A445 R447 R505	E413-L415 PolarHBondContact O-N 3.35Å; E413-G444 VanDerWaalsContact O-CA 3.25Å; E413-G444 WeakPolarHBondContact O-CA 3.4Å; E413-A445 PolarHBondContact N-O 3.16Å; E413-R447 HydrophobicContact CG-CG 4.25Å; E413-R447 IonicContact OE1-CZ 3.5Å; E413-R447 IonicContact OE1-NE 3.6Å; E413-R447 PolarHBondContact OE1-NE 3.14Å; E413-R447 VanDerWaalsContact OE1-NE 3.17Å; E413-R447 IonicContact OE1-NH2 2.71Å; E413-R447 PolarHBondContact OE1-NH2 2.93Å; E413-R505 IonicContact OE2-NH1 2.72Å
414	V	90.5	Very high	92.9	Very high	22 Å²	22	62.2 Å²	62.2	13%	0.133	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-78.8	120	175.6	174.8	0	0	0	0	108.6	G416 K417 D419 E421 P517	V414-G416 PolarHBondContact O-N 2.78Å; V414-G416 VanDerWaalsContact O-N 3.14Å; V414-K417 HydrophobicContact CB-CB 4.31Å; V414-K417 HydrophobicContact CG1-CB 4.28Å; V414-K417 HydrophobicContact CG1-CD 4.02Å; V414-K417 HydrophobicContact CG1-CG 4.35Å; V414-K417 PolarHBondContact O-N 3.21Å; V414-D419 HydrophobicContact CB-CB 4.12Å; V414-D419 HydrophobicContact CG2-CB 3.98Å; V414-D419 PolarHBondContact N-O 2.93Å; V414-E421 HydrophobicContact CG2-CB 3.95Å; V414-P517 HydrophobicContact CG1-CB 4.45Å; V414-P517 HydrophobicContact CG1-CG 3.71Å
415	L	87.5	Confident	92.9	Very high	17 Å²	17	57.9 Å²	57.9	9%	0.089	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	119.4	-172.2	-177.1	64.6	0	0	0	112.6	E413 K417 I511 P517 F547	E413-L415 PolarHBondContact O-N 3.35Å; L415-K417 VanDerWaalsContact C-N 3.26Å; L415-K417 PolarHBondContact O-N 3.09Å; L415-I511 HydrophobicContact CD1-CD1 4.12Å; L415-I511 HydrophobicContact CD1-CG1 4.3Å; L415-I511 HydrophobicContact CD2-CD1 4.36Å; L415-I511 HydrophobicContact CD2-CG2 4.07Å; L415-I511 HydrophobicContact CG-CG2 4.49Å; L415-P517 WeakPolarHBondContact O-CD 3.42Å; L415-P517 VanDerWaalsContact O-CG 3.3Å; L415-P517 WeakPolarHBondContact O-CG 3.22Å; L415-F547 HydrophobicContact CD1-CD2 4.18Å; L415-F547 HydrophobicContact CD1-CE2 4.31Å
416	G	80.2	Confident	93	Very high	35 Å²	35	56.5 Å²	56.5	36%	0.361	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.8	19.1	179.2	0	0	0	0	0	115.5	V414 M516	V414-G416 PolarHBondContact O-N 2.78Å; V414-G416 VanDerWaalsContact O-N 3.14Å; G416-M516 WeakPolarHBondContact O-CE 3.48Å
417	K	84.4	Confident	93	Very high	68 Å²	68	57.4 Å²	57.4	30%	0.296	31%	0.314	S	S	.	.	S	Bend	trans	-127.5	170.3	165.7	-61.2	-174.9	-171.5	151.3	0	109.5	V414 L415 D419 P517	V414-K417 HydrophobicContact CB-CB 4.31Å; V414-K417 HydrophobicContact CG1-CB 4.28Å; V414-K417 HydrophobicContact CG1-CD 4.02Å; V414-K417 HydrophobicContact CG1-CG 4.35Å; V414-K417 PolarHBondContact O-N 3.21Å; L415-K417 VanDerWaalsContact C-N 3.26Å; L415-K417 PolarHBondContact O-N 3.09Å; K417-D419 VanDerWaalsContact C-N 3.35Å; K417-D419 HydrophobicContact CB-CB 4.34Å; K417-D419 WeakPolarHBondContact CD-OD2 3.31Å; K417-P517 HydrophobicContact CD-CG 4.39Å; K417-P517 WeakPolarHBondContact CE-O 3.48Å; K417-P517 PolarHBondContact NZ-O 3.06Å
418	K	83.1	Confident	93	Very high	202 Å²	202	51 Å²	51	88%	0.878	28%	0.28	S	S	*	.	S	Bend	trans	-95.4	7.6	169.1	-64.5	-164.4	173.6	-164.1	0	112.8
419	D	89.8	Confident	93	Very high	93 Å²	93	51 Å²	51	50%	0.497	28%	0.275	S	S	.	.			trans	-72.8	141.2	177.7	-50	-23.2	0	0	0	108.8	V414 K417	V414-D419 HydrophobicContact CB-CB 4.12Å; V414-D419 HydrophobicContact CG2-CB 3.98Å; V414-D419 PolarHBondContact N-O 2.93Å; K417-D419 VanDerWaalsContact C-N 3.35Å; K417-D419 HydrophobicContact CB-CB 4.34Å; K417-D419 WeakPolarHBondContact CD-OD2 3.31Å
420	I	92.8	Very high	93.1	Very high	82 Å²	82	50.9 Å²	50.9	42%	0.421	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.7	177.7	-55	169.5	0	0	0	108.1	K411 M412	K411-I420 HydrophobicContact CB-CG2 3.89Å; K411-I420 HydrophobicContact CG-CG2 4.2Å; M412-I420 CarbonylContact O-C 3.48Å; M412-I420 WeakPolarHBondContact O-CA 3.27Å
421	E	94	Very high	93.1	Very high	95 Å²	95	52.8 Å²	52.8	44%	0.444	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	122.4	175.3	-173.2	170.5	158.6	0	0	109.5	M412 V414	M412-E421 HydrophobicContact CG-CB 4.19Å; M412-E421 WeakPolarHBondContact CG-O 3.33Å; M412-E421 PolarHBondContact N-O 3.13Å; M412-E421 PolarHBondContact O-N 3.11Å; V414-E421 HydrophobicContact CG2-CB 3.95Å
422	T	96	Very high	93.1	Very high	90 Å²	90	50.1 Å²	50.1	55%	0.552	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	125.4	173.2	-54.9	0	0	0	0	109.1	T409 V410	T409-T422 HydrophobicContact CG2-CG2 3.4Å; T409-T422 VanDerWaalsContact CG2-CG2 3.4Å; V410-T422 WeakPolarHBondContact O-CA 3.43Å
423	T	96.1	Very high	93.1	Very high	22 Å²	22	54.7 Å²	54.7	14%	0.135	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	-175.6	-177.6	-162.7	0	0	0	0	110.8	V410 M412 T427 F428	V410-T423 HydrophobicContact CG2-CG2 3.66Å; V410-T423 PolarHBondContact N-O 3.33Å; V410-T423 PolarHBondContact O-N 2.94Å; M412-T423 HydrophobicContact CG-CG2 4.05Å; M412-T423 HydrophobicContact SD-CG2 3.99Å; T423-T427 WeakPolarHBondContact OG1-CB 3.4Å; T423-T427 VanDerWaalsContact OG1-CG2 3.28Å; T423-T427 WeakPolarHBondContact OG1-CG2 3.38Å; T423-F428 HydrophobicContact CG2-CB 4.08Å
424	T	97.3	Very high	93.2	Very high	43 Å²	43	61.7 Å²	61.7	26%	0.264	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	154.3	174.1	70.2	0	0	0	0	111.9	P406 A408 A426 T427 F428	P406-T424 WeakPolarHBondContact O-CB 3.25Å; A408-T424 CarbonylContact O-C 3.51Å; A408-T424 WeakPolarHBondContact O-CA 3.36Å; T424-A426 VanDerWaalsContact C-N 3.32Å; T424-A426 PolarHBondContact O-N 3.27Å; T424-T427 CarbonylContact O-C 3.6Å; T424-T427 WeakPolarHBondContact O-CA 3.48Å; T424-T427 WeakPolarHBondContact O-CB 3.5Å; T424-T427 PolarHBondContact O-N 3.07Å; T424-T427 WeakPolarHBondContact OG1-CB 3.3Å; T424-T427 PolarHBondContact OG1-N 2.93Å; T424-T427 PolarHBondContact OG1-OG1 2.8Å; T424-F428 PolarHBondContact O-N 2.91Å
425	M	97.5	Very high	93.4	Very high	3 Å²	3	61.9 Å²	61.9	2%	0.015	32%	0.32	C	S	.	.	H	α-helix	trans	-53.9	-45.6	179.7	-174.9	60.6	82.5	0	0	112.4	L398 F401 A408 V410 T427 F428 H429 M446 M502	L398-M425 HydrophobicContact CD1-SD 3.76Å; F401-M425 HydrophobicContact CB-CE 3.87Å; F401-M425 HydrophobicContact CB-CG 4.03Å; F401-M425 HydrophobicContact CB-SD 4.32Å; A408-M425 HydrophobicContact CB-CB 4.3Å; A408-M425 PolarHBondContact O-N 2.92Å; V410-M425 HydrophobicContact CG1-CB 4.22Å; V410-M425 HydrophobicContact CG1-CE 3.55Å; V410-M425 HydrophobicContact CG1-SD 4.04Å; M425-T427 VanDerWaalsContact C-N 3.3Å; M425-T427 PolarHBondContact O-N 2.92Å; M425-F428 PolarHBondContact O-N 3.13Å; M425-F428 HydrophobicContact SD-CD1 4.41Å; M425-H429 WeakPolarHBondContact O-CB 3.29Å; M425-H429 PolarHBondContact O-N 2.86Å; M425-M446 HydrophobicContact CE-CE 4.25Å; M425-M446 HydrophobicContact CE-SD 3.92Å; M425-M446 HydrophobicContact SD-SD 4.2Å; M425-M502 HydrophobicContact CE-CE 3.92Å
426	A	97.2	Very high	93.8	Very high	30 Å²	30	62.7 Å²	62.7	25%	0.248	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-32.4	176	0	0	0	0	0	113.2	P406 T424 S430	P406-A426 HydrophobicContact CB-CB 3.69Å; P406-A426 WeakPolarHBondContact O-CB 3.2Å; P406-A426 PolarHBondContact O-N 2.83Å; P406-A426 VanDerWaalsContact O-N 3.08Å; T424-A426 VanDerWaalsContact C-N 3.32Å; T424-A426 PolarHBondContact O-N 3.27Å; A426-S430 VanDerWaalsContact O-CB 3.27Å; A426-S430 WeakPolarHBondContact O-CB 3.39Å; A426-S430 PolarHBondContact O-N 2.66Å; A426-S430 PolarHBondContact O-OG 2.72Å
427	T	97.2	Very high	94.4	Very high	64 Å²	64	64.1 Å²	64.1	39%	0.393	33%	0.327	S	S	.	.	H	α-helix	trans	-73.5	-38	175.9	-54	0	0	0	0	111.3	T423 T424 M425 Q431	T423-T427 WeakPolarHBondContact OG1-CB 3.4Å; T423-T427 VanDerWaalsContact OG1-CG2 3.28Å; T423-T427 WeakPolarHBondContact OG1-CG2 3.38Å; T424-T427 CarbonylContact O-C 3.6Å; T424-T427 WeakPolarHBondContact O-CA 3.48Å; T424-T427 WeakPolarHBondContact O-CB 3.5Å; T424-T427 PolarHBondContact O-N 3.07Å; T424-T427 WeakPolarHBondContact OG1-CB 3.3Å; T424-T427 PolarHBondContact OG1-N 2.93Å; T424-T427 PolarHBondContact OG1-OG1 2.8Å; M425-T427 VanDerWaalsContact C-N 3.3Å; M425-T427 PolarHBondContact O-N 2.92Å; T427-Q431 WeakPolarHBondContact O-CG 3.24Å; T427-Q431 PolarHBondContact O-N 3.09Å; T427-Q431 PolarHBondContact O-NE2 3.18Å
428	F	97.4	Very high	94.6	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-65.2	-52.3	173.1	174.2	-110.6	0	0	0	111.3	L398 V410 M412 T423 T424 M425 S430 Q431 V432 M446 V504	L398-F428 HydrophobicContact CD1-CD1 3.71Å; L398-F428 HydrophobicContact CD1-CE1 3.74Å; L398-F428 HydrophobicContact CD2-CE1 4.36Å; V410-F428 HydrophobicContact CG2-CB 3.84Å; V410-F428 HydrophobicContact CG2-CG 4.41Å; M412-F428 HydrophobicContact CB-CD2 4.08Å; M412-F428 HydrophobicContact CB-CE2 4.3Å; M412-F428 HydrophobicContact SD-CD2 3.99Å; T423-F428 HydrophobicContact CG2-CB 4.08Å; T424-F428 PolarHBondContact O-N 2.91Å; M425-F428 PolarHBondContact O-N 3.13Å; M425-F428 HydrophobicContact SD-CD1 4.41Å; F428-S430 VanDerWaalsContact C-N 3.32Å; F428-S430 PolarHBondContact O-N 2.77Å; F428-Q431 WeakPolarHBondContact O-CA 3.24Å; F428-Q431 WeakPolarHBondContact O-CB 3.18Å; F428-Q431 PolarHBondContact O-N 3.28Å; F428-V432 HydrophobicContact CD1-CG2 4.26Å; F428-V432 HydrophobicContact CD2-CG2 4.22Å; F428-V432 HydrophobicContact CE1-CG2 3.75Å; F428-V432 HydrophobicContact CE2-CG2 3.72Å; F428-V432 HydrophobicContact CG-CG2 4.46Å; F428-V432 HydrophobicContact CZ-CG2 3.44Å; F428-V432 VanDerWaalsContact CZ-CG2 3.44Å; F428-V432 WeakPolarHBondContact O-CG2 3.11Å; F428-V432 PolarHBondContact O-N 2.71Å; F428-M446 HydrophobicContact CD1-CB 4.42Å; F428-M446 HydrophobicContact CD1-CG 4.43Å; F428-M446 HydrophobicContact CD1-SD 3.91Å; F428-M446 HydrophobicContact CE1-CB 3.8Å; F428-M446 HydrophobicContact CE1-CG 4.26Å; F428-M446 HydrophobicContact CE1-SD 3.95Å; F428-M446 HydrophobicContact CE2-CB 4.21Å; F428-M446 HydrophobicContact CZ-CB 3.69Å; F428-V504 HydrophobicContact CE1-CB 4.05Å; F428-V504 HydrophobicContact CE1-CG1 4.29Å; F428-V504 HydrophobicContact CE1-CG2 4.27Å; F428-V504 HydrophobicContact CZ-CB 4.18Å; F428-V504 HydrophobicContact CZ-CG1 4.31Å
429	H	96.9	Very high	95.1	Very high	26 Å²	26	61.4 Å²	61.4	12%	0.12	31%	0.31	C	S	.	.	H	α-helix	trans	-52.9	-45.8	174.3	170.4	-114.1	0	0	0	112.7	L398 D399 S402 M425 Q431 V432 K433	L398-H429 HydrophobicContact CD1-CB 4.23Å; L398-H429 HydrophobicContact CG-CB 4.33Å; D399-H429 IonicContact OD1-CD2 3.5Å; D399-H429 IonicContact OD1-CE1 3.1Å; D399-H429 IonicContact OD1-NE2 2.84Å; D399-H429 PolarHBondContact OD1-NE2 3.46Å; S402-H429 PolarHBondContact OG-CE1 2.81Å; M425-H429 WeakPolarHBondContact O-CB 3.29Å; M425-H429 PolarHBondContact O-N 2.86Å; H429-Q431 VanDerWaalsContact C-N 3.25Å; H429-Q431 PolarHBondContact O-N 3.31Å; H429-V432 PolarHBondContact O-N 2.68Å; H429-K433 WeakPolarHBondContact O-CB 3.44Å; H429-K433 PolarHBondContact O-N 3.18Å
430	S	96.6	Very high	95.4	Very high	72 Å²	72	58.8 Å²	58.8	50%	0.503	30%	0.297	S	S	.	.	H	α-helix	trans	-59.7	-33.3	175.5	-64.9	0	0	0	0	113.1	A426 F428 R434	A426-S430 VanDerWaalsContact O-CB 3.27Å; A426-S430 WeakPolarHBondContact O-CB 3.39Å; A426-S430 PolarHBondContact O-N 2.66Å; A426-S430 PolarHBondContact O-OG 2.72Å; F428-S430 VanDerWaalsContact C-N 3.32Å; F428-S430 PolarHBondContact O-N 2.77Å; S430-R434 WeakPolarHBondContact O-CB 3.26Å; S430-R434 PolarHBondContact O-N 3.44Å
431	Q	95.1	Very high	95.5	Very high	40 Å²	40	54.9 Å²	54.9	19%	0.187	28%	0.277	C	S	.	.	H	α-helix	trans	-75.7	-41.3	175.2	-70.8	-178.8	90.8	0	0	112.3	T427 F428 H429 T435 A443	T427-Q431 WeakPolarHBondContact O-CG 3.24Å; T427-Q431 PolarHBondContact O-N 3.09Å; T427-Q431 PolarHBondContact O-NE2 3.18Å; F428-Q431 WeakPolarHBondContact O-CA 3.24Å; F428-Q431 WeakPolarHBondContact O-CB 3.18Å; F428-Q431 PolarHBondContact O-N 3.28Å; H429-Q431 VanDerWaalsContact C-N 3.25Å; H429-Q431 PolarHBondContact O-N 3.31Å; Q431-T435 WeakPolarHBondContact O-CB 3.35Å; Q431-T435 WeakPolarHBondContact O-CG2 3.38Å; Q431-T435 PolarHBondContact O-N 2.95Å; Q431-T435 PolarHBondContact O-OG1 3.23Å; Q431-A443 HydrophobicContact CB-CB 4.4Å
432	V	96.6	Very high	95.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-57.9	-60.8	173.2	174.3	0	0	0	0	109.3	L398 F428 H429 R434 T435 Y436 Y441 V576	L398-V432 HydrophobicContact CD2-CB 4.05Å; L398-V432 HydrophobicContact CD2-CG1 3.8Å; L398-V432 HydrophobicContact CD2-CG2 4.09Å; F428-V432 HydrophobicContact CD1-CG2 4.26Å; F428-V432 HydrophobicContact CD2-CG2 4.22Å; F428-V432 HydrophobicContact CE1-CG2 3.75Å; F428-V432 HydrophobicContact CE2-CG2 3.72Å; F428-V432 HydrophobicContact CG-CG2 4.46Å; F428-V432 HydrophobicContact CZ-CG2 3.44Å; F428-V432 VanDerWaalsContact CZ-CG2 3.44Å; F428-V432 WeakPolarHBondContact O-CG2 3.11Å; F428-V432 PolarHBondContact O-N 2.71Å; H429-V432 PolarHBondContact O-N 2.68Å; V432-R434 VanDerWaalsContact C-N 3.29Å; V432-R434 PolarHBondContact O-N 2.84Å; V432-T435 CarbonylContact O-C 3.25Å; V432-T435 PolarHBondContact O-N 2.97Å; V432-T435 PolarHBondContact O-OG1 3.36Å; V432-Y436 WeakPolarHBondContact O-CB 3.45Å; V432-Y436 PolarHBondContact O-N 2.91Å; V432-Y441 HydrophobicContact CB-CD2 4.36Å; V432-Y441 HydrophobicContact CB-CG 4.39Å; V432-Y441 HydrophobicContact CG1-CD1 3.64Å; V432-Y441 HydrophobicContact CG1-CD2 4.23Å; V432-Y441 HydrophobicContact CG1-CE1 4.01Å; V432-Y441 HydrophobicContact CG1-CG 3.78Å; V432-Y441 HydrophobicContact CG2-CD1 4.45Å; V432-Y441 HydrophobicContact CG2-CD2 3.98Å; V432-Y441 HydrophobicContact CG2-CE1 4.21Å; V432-Y441 HydrophobicContact CG2-CE2 3.75Å; V432-Y441 HydrophobicContact CG2-CG 4.35Å; V432-V576 HydrophobicContact CG1-CG1 3.92Å
433	K	95.8	Very high	95.4	Very high	103 Å²	103	51.4 Å²	51.4	45%	0.448	25%	0.252	S	S	.	.	H	α-helix	trans	-58.2	-34.8	-177.4	-174.2	156.1	-179.7	147.2	0	113.7	H429 T435 C578	H429-K433 WeakPolarHBondContact O-CB 3.44Å; H429-K433 PolarHBondContact O-N 3.18Å; K433-T435 VanDerWaalsContact C-N 3.33Å; K433-T435 PolarHBondContact O-N 3.15Å; K433-C578 HydrophobicContact CB-CB 4.41Å; K433-C578 HydrophobicContact CD-CB 4.43Å; K433-C578 WeakPolarHBondContact CE-O 3.35Å; K433-C578 HydrophobicContact CG-CB 4.18Å; K433-C578 PolarHBondContact NZ-O 3.17Å
434	R	95.1	Very high	95.3	Very high	188 Å²	188	50.4 Å²	50.4	71%	0.709	25%	0.246	S	C	*	.	H	α-helix	trans	-70.4	-24.5	174.3	-177.5	-178	66.4	-176.2	-3.3	113.9	S430 V432	S430-R434 WeakPolarHBondContact O-CB 3.26Å; S430-R434 PolarHBondContact O-N 3.44Å; V432-R434 VanDerWaalsContact C-N 3.29Å; V432-R434 PolarHBondContact O-N 2.84Å
435	T	94.8	Very high	95.2	Very high	26 Å²	26	48.4 Å²	48.4	16%	0.16	23%	0.233	C	C	.	.	H	α-helix	trans	-115.3	-1.9	-174	63.6	0	0	0	0	113.9	Q431 V432 K433 R442	Q431-T435 WeakPolarHBondContact O-CB 3.35Å; Q431-T435 WeakPolarHBondContact O-CG2 3.38Å; Q431-T435 PolarHBondContact O-N 2.95Å; Q431-T435 PolarHBondContact O-OG1 3.23Å; V432-T435 CarbonylContact O-C 3.25Å; V432-T435 PolarHBondContact O-N 2.97Å; V432-T435 PolarHBondContact O-OG1 3.36Å; K433-T435 VanDerWaalsContact C-N 3.33Å; K433-T435 PolarHBondContact O-N 3.15Å; T435-R442 PolarHBondContact O-N 3.02Å; T435-R442 PolarHBondContact OG1-N 3.12Å
436	Y	95.5	Very high	95.2	Very high	34 Å²	34	48.3 Å²	48.3	13%	0.133	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	141.8	176.8	-173.6	-88	0	0	0	112.1	V432 G439 T440 V576 C578 E580 A664	V432-Y436 WeakPolarHBondContact O-CB 3.45Å; V432-Y436 PolarHBondContact O-N 2.91Å; Y436-G439 WeakPolarHBondContact OH-CA 3.34Å; Y436-G439 PolarHBondContact OH-N 2.92Å; Y436-T440 CarbonylContact C-O 3.46Å; Y436-T440 WeakPolarHBondContact CA-O 3.45Å; Y436-V576 HydrophobicContact CD2-CG1 3.93Å; Y436-V576 HydrophobicContact CE2-CB 4.15Å; Y436-V576 HydrophobicContact CE2-CG1 3.82Å; Y436-V576 WeakPolarHBondContact CE2-O 3.38Å; Y436-V576 PolarHBondContact OH-O 3.32Å; Y436-C578 HydrophobicContact CD1-CB 4.26Å; Y436-C578 HydrophobicContact CD2-CB 4.45Å; Y436-C578 HydrophobicContact CG-CB 4.14Å; Y436-E580 HydrophobicContact CE1-CG 4.04Å; Y436-E580 PolarHBondContact OH-OE2 3.18Å; Y436-A664 HydrophobicContact CE2-CB 4.5Å
437	S	92.6	Very high	95.1	Very high	66 Å²	66	51.7 Å²	51.7	46%	0.462	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	115.8	173.9	160.3	0	0	0	0	110.4	G439 T440	S437-G439 VanDerWaalsContact C-N 3.27Å; S437-G439 PolarHBondContact O-N 3.41Å; S437-T440 PolarHBondContact N-O 3.36Å; S437-T440 PolarHBondContact O-N 3.27Å
438	R	90.3	Very high	95	Very high	210 Å²	210	52.9 Å²	52.9	79%	0.792	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.7	27.7	167.2	-57.9	176.6	170.2	-94.9	-4	115.3	R587	R438-R587 PolarHBondContact O-NH1 3.26Å; R438-R587 PolarHBondContact O-NH2 3.37Å
439	G	92.6	Very high	94.9	Very high	2 Å²	2	53.1 Å²	53.1	2%	0.021	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	107.1	1.2	178.2	0	0	0	0	0	116.2	Y436 S437 S663 A664	Y436-G439 WeakPolarHBondContact OH-CA 3.34Å; Y436-G439 PolarHBondContact OH-N 2.92Å; S437-G439 VanDerWaalsContact C-N 3.27Å; S437-G439 PolarHBondContact O-N 3.41Å; G439-S663 CarbonylContact O-C 3.59Å; G439-S663 WeakPolarHBondContact O-CA 3.12Å; G439-A664 WeakPolarHBondContact O-CB 3.46Å; G439-A664 PolarHBondContact O-N 3.41Å
440	T	96.1	Very high	94.9	Very high	38 Å²	38	52.1 Å²	52.1	23%	0.233	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	163.8	167.6	60.7	0	0	0	0	111.1	Y436 S437 P506	Y436-T440 CarbonylContact C-O 3.46Å; Y436-T440 WeakPolarHBondContact CA-O 3.45Å; S437-T440 PolarHBondContact N-O 3.36Å; S437-T440 PolarHBondContact O-N 3.27Å; T440-P506 WeakPolarHBondContact CA-O 3.43Å; T440-P506 VanDerWaalsContact CB-O 3.32Å; T440-P506 WeakPolarHBondContact CB-O 3.17Å
441	Y	95.7	Very high	94.9	Very high	1 Å²	1	48.7 Å²	48.7	0%	0.004	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	154.2	174.3	69	-97.6	0	0	0	112.8	V432 A443 V504 P506 Q509 A664	V432-Y441 HydrophobicContact CB-CD2 4.36Å; V432-Y441 HydrophobicContact CB-CG 4.39Å; V432-Y441 HydrophobicContact CG1-CD1 3.64Å; V432-Y441 HydrophobicContact CG1-CD2 4.23Å; V432-Y441 HydrophobicContact CG1-CE1 4.01Å; V432-Y441 HydrophobicContact CG1-CG 3.78Å; V432-Y441 HydrophobicContact CG2-CD1 4.45Å; V432-Y441 HydrophobicContact CG2-CD2 3.98Å; V432-Y441 HydrophobicContact CG2-CE1 4.21Å; V432-Y441 HydrophobicContact CG2-CE2 3.75Å; V432-Y441 HydrophobicContact CG2-CG 4.35Å; Y441-A443 HydrophobicContact CD2-CB 3.83Å; Y441-A443 HydrophobicContact CE2-CB 3.93Å; Y441-A443 WeakPolarHBondContact CE2-O 3.41Å; Y441-V504 HydrophobicContact CE1-CG1 4.14Å; Y441-P506 HydrophobicContact CD1-CB 4.18Å; Y441-P506 HydrophobicContact CD2-CB 4Å; Y441-P506 VanDerWaalsContact CE1-CA 3.41Å; Y441-P506 HydrophobicContact CE1-CB 3.94Å; Y441-P506 HydrophobicContact CE2-CB 3.72Å; Y441-P506 HydrophobicContact CG-CB 4.19Å; Y441-P506 PolarHBondContact N-O 3.34Å; Y441-P506 WeakPolarHBondContact O-CB 3.43Å; Y441-Q509 PolarHBondContact O-NE2 3.37Å; Y441-A664 HydrophobicContact CD1-CB 3.62Å; Y441-A664 HydrophobicContact CE1-CB 3.93Å
442	R	94.6	Very high	94.8	Very high	103 Å²	103	47 Å²	47	39%	0.389	21%	0.207	S	C	.	.	S	Bend	trans	-106.4	56	-177.6	-68.1	-179.6	-69.8	153.3	-1.6	112.7	T435 Q509 I511 D515	T435-R442 PolarHBondContact O-N 3.02Å; T435-R442 PolarHBondContact OG1-N 3.12Å; R442-Q509 VanDerWaalsContact CG-OE1 3.26Å; R442-I511 HydrophobicContact CB-CD1 4.48Å; R442-I511 HydrophobicContact CG-CD1 3.84Å; R442-D515 IonicContact CZ-OD2 2.72Å; R442-D515 IonicContact NH1-OD1 3.14Å; R442-D515 IonicContact NH1-OD2 3.17Å; R442-D515 PolarHBondContact NH1-OD2 2.94Å
443	A	92.8	Very high	94.5	Very high	9 Å²	9	48.1 Å²	48.1	7%	0.074	22%	0.218	C	C	.	.	S	Bend	trans	-130.6	167.4	161.9	0	0	0	0	0	107.4	Q431 Y441	Q431-A443 HydrophobicContact CB-CB 4.4Å; Y441-A443 HydrophobicContact CD2-CB 3.83Å; Y441-A443 HydrophobicContact CE2-CB 3.93Å; Y441-A443 WeakPolarHBondContact CE2-O 3.41Å
444	G	92.9	Very high	93.8	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.01	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-74.8	168.2	176.9	0	0	0	0	0	112.9	E413	E413-G444 VanDerWaalsContact O-CA 3.25Å; E413-G444 WeakPolarHBondContact O-CA 3.4Å
445	A	95.8	Very high	92.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-68.2	149.7	-180	0	0	0	0	0	112.5	M412 E413 V504	M412-A445 CarbonylContact C-O 3.44Å; M412-A445 VanDerWaalsContact CA-O 3.28Å; M412-A445 WeakPolarHBondContact CA-O 3.5Å; E413-A445 PolarHBondContact N-O 3.16Å; A445-V504 CarbonylContact C-O 3.32Å; A445-V504 WeakPolarHBondContact CA-O 3.13Å
446	M	96.9	Very high	92.1	Very high	2 Å²	2	47.6 Å²	47.6	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	137.4	163.1	-160.6	-179.9	79.9	0	0	109	V410 M425 F428 V449 M502 V504	V410-M446 HydrophobicContact CB-CG 4.09Å; V410-M446 HydrophobicContact CB-SD 3.9Å; V410-M446 HydrophobicContact CG1-SD 3.7Å; V410-M446 HydrophobicContact CG2-SD 4.47Å; M425-M446 HydrophobicContact CE-CE 4.25Å; M425-M446 HydrophobicContact CE-SD 3.92Å; M425-M446 HydrophobicContact SD-SD 4.2Å; F428-M446 HydrophobicContact CD1-CB 4.42Å; F428-M446 HydrophobicContact CD1-CG 4.43Å; F428-M446 HydrophobicContact CD1-SD 3.91Å; F428-M446 HydrophobicContact CE1-CB 3.8Å; F428-M446 HydrophobicContact CE1-CG 4.26Å; F428-M446 HydrophobicContact CE1-SD 3.95Å; F428-M446 HydrophobicContact CE2-CB 4.21Å; F428-M446 HydrophobicContact CZ-CB 3.69Å; M446-V449 HydrophobicContact CE-CB 4.49Å; M446-V449 HydrophobicContact CE-CG2 3.82Å; M446-V449 HydrophobicContact SD-CG2 4.43Å; M446-M502 HydrophobicContact CE-CE 4.23Å; M446-V504 HydrophobicContact CB-CB 3.98Å; M446-V504 HydrophobicContact CB-CG2 4.42Å; M446-V504 HydrophobicContact CE-CG2 3.93Å; M446-V504 PolarHBondContact N-O 2.77Å; M446-V504 HydrophobicContact SD-CG2 4.41Å
447	R	95.1	Very high	91.2	Very high	101 Å²	101	54 Å²	54	38%	0.381	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	172.7	170.7	-66.4	-172.5	160.1	-132.8	-10.1	110.6	K411 E413	K411-R447 HydrophobicContact CB-CB 4.3Å; K411-R447 WeakPolarHBondContact O-CB 3.49Å; K411-R447 PolarHBondContact O-N 3.09Å; E413-R447 HydrophobicContact CG-CG 4.25Å; E413-R447 IonicContact OE1-CZ 3.5Å; E413-R447 IonicContact OE1-NE 3.6Å; E413-R447 PolarHBondContact OE1-NE 3.14Å; E413-R447 VanDerWaalsContact OE1-NE 3.17Å; E413-R447 IonicContact OE1-NH2 2.71Å; E413-R447 PolarHBondContact OE1-NH2 2.93Å
448	Q	95	Very high	90.8	Very high	88 Å²	88	54.5 Å²	54.5	41%	0.411	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	141.7	178.6	71.6	-160.3	49	0	0	112.4	E458 I501 M502	Q448-E458 PolarHBondContact NE2-OE1 3.14Å; Q448-I501 HydrophobicContact CB-CB 4.33Å; Q448-I501 HydrophobicContact CB-CD1 4.1Å; Q448-M502 CarbonylContact C-O 3.41Å; Q448-M502 WeakPolarHBondContact CA-O 3.24Å
449	V	95.8	Very high	90.9	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.03	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	116	174.2	176.8	0	0	0	0	106.6	V410 M446 V459 M502	V410-V449 HydrophobicContact CG1-CG2 4.3Å; M446-V449 HydrophobicContact CE-CB 4.49Å; M446-V449 HydrophobicContact CE-CG2 3.82Å; M446-V449 HydrophobicContact SD-CG2 4.43Å; V449-V459 CarbonylContact C-O 3.58Å; V449-V459 WeakPolarHBondContact CA-O 3.42Å; V449-M502 PolarHBondContact N-O 2.72Å; V449-M502 PolarHBondContact O-N 3.14Å
450	S	96.6	Very high	90.8	Very high	5 Å²	5	46.4 Å²	46.4	4%	0.035	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	139.6	175.4	173.3	0	0	0	0	110.8	V452 G453 V459 G460 D461	S450-V452 WeakPolarHBondContact OG-CG2 2.9Å; S450-V452 PolarHBondContact OG-N 3.47Å; S450-G453 WeakPolarHBondContact CB-O 3.13Å; S450-G453 PolarHBondContact OG-N 3.46Å; S450-G453 PolarHBondContact OG-O 2.89Å; S450-V459 PolarHBondContact N-O 3.18Å; S450-G460 WeakPolarHBondContact O-CA 3.34Å; S450-D461 PolarHBondContact O-N 2.73Å
451	L	96.5	Very high	90.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.263	C	S	.	.	S	Bend	trans	-100.4	-10.8	177.8	-55.7	-172.4	0	0	0	114.2	F401 D461 F463 F466 L467 P500 M502 L668	F401-L451 HydrophobicContact CE1-CD2 4.18Å; F401-L451 HydrophobicContact CE2-CD2 4.42Å; F401-L451 HydrophobicContact CZ-CD1 4.45Å; F401-L451 HydrophobicContact CZ-CD2 3.72Å; L451-D461 CarbonylContact C-O 3.58Å; L451-D461 VanDerWaalsContact C-O 3.25Å; L451-F463 HydrophobicContact CB-CD2 4.21Å; L451-F463 HydrophobicContact CD2-CD2 3.67Å; L451-F463 HydrophobicContact CD2-CE2 3.85Å; L451-F463 PolarHBondContact O-N 2.75Å; L451-F463 VanDerWaalsContact O-N 3.11Å; L451-F466 HydrophobicContact CD1-CD1 3.71Å; L451-F466 HydrophobicContact CD1-CE1 3.58Å; L451-L467 HydrophobicContact CB-CD2 4.16Å; L451-P500 HydrophobicContact CD1-CB 4.41Å; L451-P500 PolarHBondContact N-O 3.26Å; L451-M502 HydrophobicContact CD1-CB 4.33Å; L451-M502 HydrophobicContact CD2-CB 4.09Å; L451-M502 HydrophobicContact CD2-CE 4.39Å; L451-M502 HydrophobicContact CG-CB 4.32Å; L451-L668 HydrophobicContact CD1-CD2 3.64Å
452	V	94.6	Very high	90.7	Very high	6 Å²	6	53.9 Å²	53.9	4%	0.036	28%	0.28	C	S	.	.	S	Bend	trans	-98.3	-17.9	177.8	-70.1	0	0	0	0	112.9	S450 L467 W482 P493 T494 G499	S450-V452 WeakPolarHBondContact OG-CG2 2.9Å; S450-V452 PolarHBondContact OG-N 3.47Å; V452-L467 HydrophobicContact CG1-CD1 4.09Å; V452-W482 HydrophobicContact CG1-CH2 3.74Å; V452-W482 HydrophobicContact CG1-CZ3 3.81Å; V452-P493 WeakPolarHBondContact CB-O 3.4Å; V452-P493 HydrophobicContact CG1-CB 4.13Å; V452-P493 WeakPolarHBondContact CG1-O 3.47Å; V452-T494 WeakPolarHBondContact O-CA 3.33Å; V452-T494 WeakPolarHBondContact O-CG2 3.44Å; V452-G499 WeakPolarHBondContact CG1-O 3.21Å
453	G	88.8	Confident	90.8	Very high	23 Å²	23	49.2 Å²	49.2	24%	0.237	26%	0.263	C	S	.	.			trans	142.8	151.6	-179.7	0	0	0	0	0	111.9	S450 D461	S450-G453 WeakPolarHBondContact CB-O 3.13Å; S450-G453 PolarHBondContact OG-N 3.46Å; S450-G453 PolarHBondContact OG-O 2.89Å; G453-D461 PolarHBondContact N-O 3.3Å
454	A	81.5	Confident	91	Very high	55 Å²	55	51.5 Å²	51.5	46%	0.455	28%	0.277	S	S	.	.			trans	-87.8	131.5	179.4	0	0	0	0	0	112.1
455	V	76.1	Confident	91.1	Very high	82 Å²	82	56.8 Å²	56.8	50%	0.497	30%	0.301	S	S	.	.			trans	-107.5	134	171.8	-176.5	0	0	0	0	109.7	E457 E458	V455-E457 PolarHBondContact O-N 3.01Å; V455-E457 VanDerWaalsContact O-N 3.09Å; V455-E458 WeakPolarHBondContact O-CB 3.36Å; V455-E458 WeakPolarHBondContact O-CG 3.45Å; V455-E458 PolarHBondContact O-N 3.01Å
456	D	77.8	Confident	91.2	Very high	169 Å²	169	56.9 Å²	56.9	90%	0.904	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.3	-105.9	178.5	-70.6	-31	0	0	0	116.1
457	E	77.9	Confident	91.2	Very high	167 Å²	167	56.9 Å²	56.9	78%	0.78	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	0.3	-179.5	-71.9	-159.9	-169.8	0	0	113.6	K411 V455	K411-E457 PolarHBondContact NZ-O 2.76Å; V455-E457 PolarHBondContact O-N 3.01Å; V455-E457 VanDerWaalsContact O-N 3.09Å
458	E	84.1	Confident	91.3	Very high	78 Å²	78	54.9 Å²	54.9	36%	0.364	30%	0.303	S	S	.	.			trans	-62.6	169.7	173.9	-66.5	-114.2	114	0	0	111.6	Q448 V455	Q448-E458 PolarHBondContact NE2-OE1 3.14Å; V455-E458 WeakPolarHBondContact O-CB 3.36Å; V455-E458 WeakPolarHBondContact O-CG 3.45Å; V455-E458 PolarHBondContact O-N 3.01Å
459	V	91	Very high	91.4	Very high	18 Å²	18	52.5 Å²	52.5	11%	0.109	29%	0.293	C	S	.	.			trans	-124.3	141.8	171.2	-177.2	0	0	0	0	106.9	T409 K411 V449 S450	T409-V459 HydrophobicContact CG2-CG1 4.17Å; T409-V459 WeakPolarHBondContact O-CG1 3.39Å; K411-V459 HydrophobicContact CD-CG2 3.61Å; K411-V459 VanDerWaalsContact CE-CG2 3.46Å; K411-V459 HydrophobicContact CG-CG2 3.89Å; V449-V459 CarbonylContact C-O 3.58Å; V449-V459 WeakPolarHBondContact CA-O 3.42Å; S450-V459 PolarHBondContact N-O 3.18Å
460	G	92.3	Very high	91.5	Very high	24 Å²	24	52.3 Å²	52.3	25%	0.247	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	163.1	172.4	-170.6	0	0	0	0	0	110.9	S450	S450-G460 WeakPolarHBondContact O-CA 3.34Å
461	D	93.9	Very high	91.5	Very high	104 Å²	104	55.2 Å²	55.2	56%	0.556	31%	0.305	S	S	*	.			trans	-152.9	174.9	168.9	-152	-21.7	0	0	0	106.8	S450 L451 G453 F463	S450-D461 PolarHBondContact O-N 2.73Å; L451-D461 CarbonylContact C-O 3.58Å; L451-D461 VanDerWaalsContact C-O 3.25Å; G453-D461 PolarHBondContact N-O 3.3Å; D461-F463 HydrophobicContact CB-CE1 3.91Å; D461-F463 HydrophobicContact CB-CE2 3.88Å; D461-F463 HydrophobicContact CB-CZ 3.53Å; D461-F463 VanDerWaalsContact O-CD2 3.3Å; D461-F463 WeakPolarHBondContact O-CD2 3.49Å; D461-F463 WeakPolarHBondContact O-CE2 3.44Å
462	Y	95.5	Very high	91.5	Very high	92 Å²	92	61.5 Å²	61.5	36%	0.361	33%	0.334	S	S	.	.			trans	-89	116.2	172.3	-179.9	-133.3	0	0	0	110.2	P464 L467 P493 T494	Y462-P464 HydrophobicContact CD1-CG 4.22Å; Y462-P464 HydrophobicContact CE1-CB 3.99Å; Y462-P464 HydrophobicContact CE1-CG 3.96Å; Y462-P464 HydrophobicContact CE2-CB 4.45Å; Y462-P464 WeakPolarHBondContact O-CD 3.45Å; Y462-L467 HydrophobicContact CD2-CD1 4.08Å; Y462-L467 HydrophobicContact CE2-CD1 3.64Å; Y462-P493 HydrophobicContact CE2-CB 4.08Å; Y462-P493 HydrophobicContact CE2-CG 4.49Å; Y462-T494 HydrophobicContact CD1-CG2 3.91Å; Y462-T494 HydrophobicContact CD2-CG2 3.55Å; Y462-T494 HydrophobicContact CE1-CG2 4.08Å; Y462-T494 HydrophobicContact CE2-CG2 3.74Å; Y462-T494 HydrophobicContact CG-CG2 3.64Å
463	F	96.3	Very high	91.7	Very high	5 Å²	5	61.4 Å²	61.4	2%	0.022	33%	0.334	C	S	.	.			trans	-113.7	68.9	-176.7	-53.7	-80	0	0	0	112.7	F401 F405 L451 D461 E465 F466 L467	F401-F463 HydrophobicContact CD1-CD1 4.47Å; F401-F463 HydrophobicContact CD1-CE1 4.26Å; F401-F463 HydrophobicContact CD1-CZ 4.4Å; F401-F463 HydrophobicContact CE1-CB 4.32Å; F401-F463 AromaticContact CE1-CD1 3.76Å; F401-F463 HydrophobicContact CE1-CD1 3.76Å; F401-F463 AromaticContact CE1-CD2 3.85Å; F401-F463 HydrophobicContact CE1-CD2 3.85Å; F401-F463 AromaticContact CE1-CE1 3.89Å; F401-F463 HydrophobicContact CE1-CE1 3.89Å; F401-F463 AromaticContact CE1-CE2 3.99Å; F401-F463 HydrophobicContact CE1-CE2 3.99Å; F401-F463 AromaticContact CE1-CG 3.72Å; F401-F463 HydrophobicContact CE1-CG 3.72Å; F401-F463 AromaticContact CE1-CZ 4Å; F401-F463 HydrophobicContact CE1-CZ 4Å; F401-F463 HydrophobicContact CZ-CD2 4.37Å; F401-F463 HydrophobicContact CZ-CG 4.36Å; F405-F463 HydrophobicContact CB-CE1 4.27Å; F405-F463 AromaticContact CD1-CD1 3.99Å; F405-F463 HydrophobicContact CD1-CD1 3.99Å; F405-F463 AromaticContact CD1-CE1 3.78Å; F405-F463 HydrophobicContact CD1-CE1 3.78Å; F405-F463 AromaticContact CD2-CD1 3.83Å; F405-F463 HydrophobicContact CD2-CD1 3.83Å; F405-F463 AromaticContact CD2-CE1 3.88Å; F405-F463 HydrophobicContact CD2-CE1 3.88Å; F405-F463 AromaticContact CE1-CD1 3.8Å; F405-F463 HydrophobicContact CE1-CD1 3.8Å; F405-F463 HydrophobicContact CE1-CE1 4.08Å; F405-F463 AromaticContact CE2-CD1 3.64Å; F405-F463 HydrophobicContact CE2-CD1 3.64Å; F405-F463 HydrophobicContact CE2-CE1 4.17Å; F405-F463 HydrophobicContact CG-CD1 4.01Å; F405-F463 AromaticContact CG-CE1 3.69Å; F405-F463 HydrophobicContact CG-CE1 3.69Å; F405-F463 AromaticContact CZ-CD1 3.64Å; F405-F463 HydrophobicContact CZ-CD1 3.64Å; F405-F463 HydrophobicContact CZ-CE1 4.28Å; L451-F463 HydrophobicContact CB-CD2 4.21Å; L451-F463 HydrophobicContact CD2-CD2 3.67Å; L451-F463 HydrophobicContact CD2-CE2 3.85Å; L451-F463 PolarHBondContact O-N 2.75Å; L451-F463 VanDerWaalsContact O-N 3.11Å; D461-F463 HydrophobicContact CB-CE1 3.91Å; D461-F463 HydrophobicContact CB-CE2 3.88Å; D461-F463 HydrophobicContact CB-CZ 3.53Å; D461-F463 VanDerWaalsContact O-CD2 3.3Å; D461-F463 WeakPolarHBondContact O-CD2 3.49Å; D461-F463 WeakPolarHBondContact O-CE2 3.44Å; F463-E465 VanDerWaalsContact C-N 3.34Å; F463-E465 PolarHBondContact O-N 3.39Å; F463-F466 HydrophobicContact CB-CB 4.17Å; F463-F466 PolarHBondContact O-N 3.28Å; F463-L467 PolarHBondContact O-N 3.16Å
464	P	95.7	Very high	92.1	Very high	57 Å²	57	61.4 Å²	61.4	37%	0.37	33%	0.329	S	S	.	.	H	α-helix	trans	-58	-40.4	-173	21.8	-33	0	0	0	113.5	Y462 F466 L467 S468	Y462-P464 HydrophobicContact CD1-CG 4.22Å; Y462-P464 HydrophobicContact CE1-CB 3.99Å; Y462-P464 HydrophobicContact CE1-CG 3.96Å; Y462-P464 HydrophobicContact CE2-CB 4.45Å; Y462-P464 WeakPolarHBondContact O-CD 3.45Å; P464-F466 PolarHBondContact O-N 3.44Å; P464-F466 VanDerWaalsContact O-N 3.14Å; P464-L467 PolarHBondContact O-N 3.37Å; P464-S468 PolarHBondContact O-N 3.45Å; P464-S468 PolarHBondContact O-OG 2.97Å
465	E	96.6	Very high	92.9	Very high	112 Å²	112	59.2 Å²	59.2	52%	0.523	31%	0.309	S	S	.	.	H	α-helix	trans	-56.5	-30.8	175.8	-65.2	-175.7	173.9	0	0	113.3	K404 F463	K404-E465 IonicContact NZ-OE1 2.66Å; K404-E465 IonicContact NZ-OE2 2.71Å; K404-E465 PolarHBondContact NZ-OE2 2.9Å; F463-E465 VanDerWaalsContact C-N 3.34Å; F463-E465 PolarHBondContact O-N 3.39Å
466	F	97.4	Very high	93.9	Very high	1 Å²	1	55.3 Å²	55.3	0%	0.004	29%	0.286	C	S	.	.	H	α-helix	trans	-87.5	-35.9	178.9	-174.1	-90.1	0	0	0	112	F397 Y400 F401 L451 F463 P464 M469 L470 L668	F397-F466 AromaticContact CD1-CE2 3.76Å; F397-F466 HydrophobicContact CD1-CE2 3.76Å; F397-F466 AromaticContact CD1-CZ 3.54Å; F397-F466 HydrophobicContact CD1-CZ 3.54Å; F397-F466 HydrophobicContact CE1-CE2 4.1Å; F397-F466 AromaticContact CE1-CZ 3.64Å; F397-F466 HydrophobicContact CE1-CZ 3.64Å; F397-F466 HydrophobicContact CG-CZ 4.21Å; F397-F466 HydrophobicContact CZ-CZ 4.39Å; Y400-F466 AromaticContact CD1-CD2 3.7Å; Y400-F466 HydrophobicContact CD1-CD2 3.7Å; Y400-F466 HydrophobicContact CD1-CE2 4.15Å; Y400-F466 HydrophobicContact CE1-CB 4.08Å; Y400-F466 AromaticContact CE1-CD2 3.5Å; Y400-F466 HydrophobicContact CE1-CD2 3.5Å; Y400-F466 VanDerWaalsContact CE1-CD2 3.5Å; Y400-F466 HydrophobicContact CE1-CE2 4.38Å; Y400-F466 HydrophobicContact CE1-CG 4.19Å; Y400-F466 HydrophobicContact CG-CD2 4.47Å; F401-F466 HydrophobicContact CE2-CD1 4.21Å; F401-F466 AromaticContact CE2-CD2 3.82Å; F401-F466 HydrophobicContact CE2-CD2 3.82Å; F401-F466 HydrophobicContact CE2-CE1 4.14Å; F401-F466 AromaticContact CE2-CE2 3.74Å; F401-F466 HydrophobicContact CE2-CE2 3.74Å; F401-F466 HydrophobicContact CE2-CG 4.05Å; F401-F466 AromaticContact CE2-CZ 3.9Å; F401-F466 HydrophobicContact CE2-CZ 3.9Å; F401-F466 HydrophobicContact CZ-CB 4.22Å; F401-F466 AromaticContact CZ-CD1 3.98Å; F401-F466 HydrophobicContact CZ-CD1 3.98Å; F401-F466 AromaticContact CZ-CD2 3.98Å; F401-F466 HydrophobicContact CZ-CD2 3.98Å; F401-F466 HydrophobicContact CZ-CE1 4.32Å; F401-F466 HydrophobicContact CZ-CE2 4.32Å; F401-F466 AromaticContact CZ-CG 3.78Å; F401-F466 HydrophobicContact CZ-CG 3.78Å; F401-F466 HydrophobicContact CZ-CZ 4.48Å; L451-F466 HydrophobicContact CD1-CD1 3.71Å; L451-F466 HydrophobicContact CD1-CE1 3.58Å; F463-F466 HydrophobicContact CB-CB 4.17Å; F463-F466 PolarHBondContact O-N 3.28Å; P464-F466 PolarHBondContact O-N 3.44Å; P464-F466 VanDerWaalsContact O-N 3.14Å; F466-M469 HydrophobicContact CB-CE 4.29Å; F466-M469 HydrophobicContact CD2-CE 3.59Å; F466-M469 HydrophobicContact CE2-CE 4.32Å; F466-M469 HydrophobicContact CG-CE 4.25Å; F466-M469 PolarHBondContact O-N 3.38Å; F466-L470 HydrophobicContact CE1-CD1 4.31Å; F466-L470 HydrophobicContact CE1-CD2 4.24Å; F466-L470 HydrophobicContact CE1-CG 4.37Å; F466-L470 PolarHBondContact O-N 2.83Å; F466-L668 HydrophobicContact CE1-CD1 3.83Å; F466-L668 HydrophobicContact CE1-CD2 4.19Å; F466-L668 HydrophobicContact CZ-CD1 4.02Å
467	L	97.1	Very high	94.8	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	26%	0.255	C	S	.	.	H	α-helix	trans	-63.8	-40.1	174.8	-65.4	175.3	0	0	0	111.5	L451 V452 Y462 F463 P464 M469 L470 E471 W482 P493 P500	L451-L467 HydrophobicContact CB-CD2 4.16Å; V452-L467 HydrophobicContact CG1-CD1 4.09Å; Y462-L467 HydrophobicContact CD2-CD1 4.08Å; Y462-L467 HydrophobicContact CE2-CD1 3.64Å; F463-L467 PolarHBondContact O-N 3.16Å; P464-L467 PolarHBondContact O-N 3.37Å; L467-M469 VanDerWaalsContact C-N 3.3Å; L467-M469 PolarHBondContact O-N 2.97Å; L467-L470 HydrophobicContact CD2-CD1 4.2Å; L467-L470 WeakPolarHBondContact O-CA 3.26Å; L467-L470 VanDerWaalsContact O-CB 3.31Å; L467-L470 WeakPolarHBondContact O-CB 3.45Å; L467-L470 PolarHBondContact O-N 2.75Å; L467-E471 PolarHBondContact O-N 3.27Å; L467-E471 VanDerWaalsContact O-N 3.09Å; L467-W482 HydrophobicContact CD1-CH2 4.29Å; L467-W482 HydrophobicContact CD1-CZ2 4.4Å; L467-W482 HydrophobicContact CD2-CH2 4.16Å; L467-W482 HydrophobicContact CD2-CZ2 4.36Å; L467-P493 HydrophobicContact CD1-CB 4.2Å; L467-P500 HydrophobicContact CD2-CG 4.18Å
468	S	97.2	Very high	95.7	Very high	59 Å²	59	42.3 Å²	42.3	41%	0.413	22%	0.222	S	C	.	.	H	α-helix	trans	-64.3	-31.3	175.2	-63	0	0	0	0	113.5	P464 L470 E471 E472	P464-S468 PolarHBondContact O-N 3.45Å; P464-S468 PolarHBondContact O-OG 2.97Å; S468-L470 VanDerWaalsContact C-N 3.27Å; S468-L470 PolarHBondContact O-N 2.95Å; S468-E471 WeakPolarHBondContact CA-OE2 3.5Å; S468-E471 WeakPolarHBondContact O-CB 3.32Å; S468-E471 PolarHBondContact O-N 2.73Å; S468-E471 VanDerWaalsContact O-N 3.16Å; S468-E471 PolarHBondContact OG-OE2 3.5Å; S468-E472 PolarHBondContact O-N 2.87Å; S468-E472 VanDerWaalsContact O-N 3.12Å
469	M	97.8	Very high	96.4	Very high	38 Å²	38	38.6 Å²	38.6	19%	0.187	20%	0.204	C	C	.	.	H	α-helix	trans	-66.5	-27.1	169.4	-69.7	-172.8	-68.1	0	0	112.4	Y393 L394 P395 Y400 F466 L467	Y393-M469 WeakPolarHBondContact CE2-O 3.49Å; Y393-M469 PolarHBondContact OH-O 3.04Å; L394-M469 HydrophobicContact CD2-CB 3.83Å; P395-M469 HydrophobicContact CG-CE 4.31Å; Y400-M469 HydrophobicContact CD2-CE 4.4Å; Y400-M469 HydrophobicContact CE1-CE 4.41Å; Y400-M469 HydrophobicContact CE2-CE 3.73Å; F466-M469 HydrophobicContact CB-CE 4.29Å; F466-M469 HydrophobicContact CD2-CE 3.59Å; F466-M469 HydrophobicContact CE2-CE 4.32Å; F466-M469 HydrophobicContact CG-CE 4.25Å; F466-M469 PolarHBondContact O-N 3.38Å; L467-M469 VanDerWaalsContact C-N 3.3Å; L467-M469 PolarHBondContact O-N 2.97Å
470	L	97.8	Very high	96.7	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-71.4	-38	170.6	-55.3	-180	0	0	0	110.8	L394 F466 L467 S468 E472 S473 L476 L480 P500 L668 W670	L394-L470 HydrophobicContact CD1-CD2 3.82Å; L394-L470 HydrophobicContact CD2-CD2 4.27Å; F466-L470 HydrophobicContact CE1-CD1 4.31Å; F466-L470 HydrophobicContact CE1-CD2 4.24Å; F466-L470 HydrophobicContact CE1-CG 4.37Å; F466-L470 PolarHBondContact O-N 2.83Å; L467-L470 HydrophobicContact CD2-CD1 4.2Å; L467-L470 WeakPolarHBondContact O-CA 3.26Å; L467-L470 VanDerWaalsContact O-CB 3.31Å; L467-L470 WeakPolarHBondContact O-CB 3.45Å; L467-L470 PolarHBondContact O-N 2.75Å; S468-L470 VanDerWaalsContact C-N 3.27Å; S468-L470 PolarHBondContact O-N 2.95Å; L470-E472 VanDerWaalsContact C-N 3.25Å; L470-E472 PolarHBondContact O-N 3.1Å; L470-S473 PolarHBondContact O-N 2.74Å; L470-L476 HydrophobicContact CB-CD1 4.34Å; L470-L476 HydrophobicContact CD2-CD1 4.26Å; L470-L476 WeakPolarHBondContact O-CB 3.47Å; L470-L480 HydrophobicContact CB-CD1 4.3Å; L470-L480 HydrophobicContact CD1-CD2 4.46Å; L470-P500 HydrophobicContact CD1-CG 4.2Å; L470-L668 HydrophobicContact CD1-CD1 4.12Å; L470-L668 HydrophobicContact CD2-CD1 3.68Å; L470-W670 HydrophobicContact CD1-CZ3 4.34Å
471	E	96.6	Very high	96.9	Very high	67 Å²	67	36.7 Å²	36.7	31%	0.313	19%	0.188	S	C	.	.	H	α-helix	trans	-68.2	-18.6	178.4	-64.4	168.1	160.3	0	0	113.8	L467 S468 S473 V477 L480 W482	L467-E471 PolarHBondContact O-N 3.27Å; L467-E471 VanDerWaalsContact O-N 3.09Å; S468-E471 WeakPolarHBondContact CA-OE2 3.5Å; S468-E471 WeakPolarHBondContact O-CB 3.32Å; S468-E471 PolarHBondContact O-N 2.73Å; S468-E471 VanDerWaalsContact O-N 3.16Å; S468-E471 PolarHBondContact OG-OE2 3.5Å; E471-S473 PolarHBondContact O-N 3.06Å; E471-V477 HydrophobicContact CB-CG2 4.49Å; E471-V477 WeakPolarHBondContact O-CB 3.36Å; E471-L480 HydrophobicContact CG-CD1 3.66Å; E471-W482 PolarHBondContact OE1-NE1 2.76Å
472	E	96.8	Very high	97	Very high	132 Å²	132	34.4 Å²	34.4	62%	0.617	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.4	171.3	-74.2	170.7	-161.8	0	0	113.3	Y393 S468 L470	Y393-E472 HydrophobicContact CE2-CB 3.98Å; S468-E472 PolarHBondContact O-N 2.87Å; S468-E472 VanDerWaalsContact O-N 3.12Å; L470-E472 VanDerWaalsContact C-N 3.25Å; L470-E472 PolarHBondContact O-N 3.1Å
473	S	97.2	Very high	97	Very high	4 Å²	4	30.5 Å²	30.5	3%	0.028	16%	0.159	C	C	.	.	S	Bend	trans	-78.8	127.6	178.6	171.3	0	0	0	0	111.6	Y393 L470 E471 F475 L476 V477	Y393-S473 VanDerWaalsContact OH-CB 3.28Å; Y393-S473 WeakPolarHBondContact OH-CB 3.17Å; L470-S473 PolarHBondContact O-N 2.74Å; E471-S473 PolarHBondContact O-N 3.06Å; S473-F475 PolarHBondContact O-N 2.86Å; S473-F475 VanDerWaalsContact O-N 3.07Å; S473-F475 PolarHBondContact OG-N 2.84Å; S473-L476 PolarHBondContact O-N 2.84Å; S473-L476 PolarHBondContact OG-N 2.92Å; S473-V477 WeakPolarHBondContact O-CB 3.18Å; S473-V477 WeakPolarHBondContact O-CG1 3.06Å; S473-V477 PolarHBondContact O-N 2.9Å
474	P	97.2	Very high	96.9	Very high	23 Å²	23	33.6 Å²	33.6	15%	0.149	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18	179.4	29	-36.3	0	0	0	112.6	M360 A364	M360-P474 HydrophobicContact CG-CB 4.32Å; M360-P474 HydrophobicContact CG-CG 3.75Å; M360-P474 HydrophobicContact SD-CG 4.32Å; A364-P474 HydrophobicContact CB-CB 3.96Å; A364-P474 WeakPolarHBondContact CB-O 3.49Å
475	F	98.1	Very high	96.9	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.035	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-51.4	175.2	-46.9	-74.3	0	0	0	111.3	L352 M360 F363 A364 V368 I387 A390 S473 V477 R478 T479 F650	L352-F475 HydrophobicContact CD1-CZ 4.09Å; M360-F475 HydrophobicContact SD-CE2 4.34Å; M360-F475 HydrophobicContact SD-CZ 3.84Å; F363-F475 AromaticContact CD1-CE1 3.67Å; F363-F475 HydrophobicContact CD1-CE1 3.67Å; F363-F475 AromaticContact CD1-CZ 3.93Å; F363-F475 HydrophobicContact CD1-CZ 3.93Å; F363-F475 AromaticContact CE1-CE1 3.68Å; F363-F475 HydrophobicContact CE1-CE1 3.68Å; F363-F475 AromaticContact CE1-CZ 3.94Å; F363-F475 HydrophobicContact CE1-CZ 3.94Å; A364-F475 HydrophobicContact CB-CD1 3.37Å; A364-F475 HydrophobicContact CB-CE1 3.47Å; A364-F475 VanDerWaalsContact CB-CE1 3.47Å; A364-F475 HydrophobicContact CB-CG 4.22Å; A364-F475 HydrophobicContact CB-CZ 4.37Å; V368-F475 HydrophobicContact CG2-CD1 4.44Å; I387-F475 HydrophobicContact CD1-CB 4.26Å; I387-F475 HydrophobicContact CD1-CD1 3.26Å; I387-F475 HydrophobicContact CD1-CD2 3.82Å; I387-F475 HydrophobicContact CD1-CE1 3.4Å; I387-F475 HydrophobicContact CD1-CE2 3.94Å; I387-F475 HydrophobicContact CD1-CG 3.5Å; I387-F475 VanDerWaalsContact CD1-CG 3.5Å; I387-F475 HydrophobicContact CD1-CZ 3.75Å; I387-F475 HydrophobicContact CG2-CE2 4.48Å; I387-F475 HydrophobicContact CG2-CZ 4.48Å; A390-F475 HydrophobicContact CB-CD2 4.5Å; A390-F475 HydrophobicContact CB-CE2 4.42Å; S473-F475 PolarHBondContact O-N 2.86Å; S473-F475 VanDerWaalsContact O-N 3.07Å; S473-F475 PolarHBondContact OG-N 2.84Å; F475-V477 PolarHBondContact O-N 2.84Å; F475-R478 WeakPolarHBondContact O-CB 3.4Å; F475-R478 PolarHBondContact O-N 3.46Å; F475-R478 VanDerWaalsContact O-N 3.15Å; F475-T479 PolarHBondContact O-N 3.32Å; F475-F650 HydrophobicContact CB-CZ 4.12Å
476	L	98.2	Very high	96.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-69.6	-32.9	-174	-55.6	179.8	0	0	0	112.3	L470 S473 R478 T479 L480 V570 V572 I648 W670	L470-L476 HydrophobicContact CB-CD1 4.34Å; L470-L476 HydrophobicContact CD2-CD1 4.26Å; L470-L476 WeakPolarHBondContact O-CB 3.47Å; S473-L476 PolarHBondContact O-N 2.84Å; S473-L476 PolarHBondContact OG-N 2.92Å; L476-R478 PolarHBondContact O-N 3.23Å; L476-T479 CarbonylContact O-C 3.58Å; L476-T479 PolarHBondContact O-N 3.4Å; L476-L480 WeakPolarHBondContact O-CG 3.47Å; L476-L480 PolarHBondContact O-N 2.93Å; L476-V570 HydrophobicContact CD2-CG1 4.22Å; L476-V572 HydrophobicContact CD1-CG2 4.06Å; L476-V572 HydrophobicContact CD2-CG2 4.06Å; L476-I648 HydrophobicContact CD1-CD1 4.13Å; L476-I648 HydrophobicContact CD2-CD1 3.98Å; L476-I648 HydrophobicContact CD2-CG1 4.49Å; L476-I648 HydrophobicContact CD2-CG2 3.66Å; L476-I648 HydrophobicContact CG-CD1 3.99Å; L476-W670 HydrophobicContact CB-CZ2 4.44Å; L476-W670 HydrophobicContact CD1-CH2 4.25Å; L476-W670 HydrophobicContact CD2-CH2 3.82Å; L476-W670 HydrophobicContact CD2-CZ2 3.86Å; L476-W670 HydrophobicContact CG-CH2 4.43Å
477	V	97.2	Very high	96.6	Very high	44 Å²	44	29.3 Å²	29.3	27%	0.267	16%	0.159	S	C	.	.	H	α-helix	trans	-61.6	-22.7	174.6	76.7	0	0	0	0	112.9	E471 S473 F475 G483 T484	E471-V477 HydrophobicContact CB-CG2 4.49Å; E471-V477 WeakPolarHBondContact O-CB 3.36Å; S473-V477 WeakPolarHBondContact O-CB 3.18Å; S473-V477 WeakPolarHBondContact O-CG1 3.06Å; S473-V477 PolarHBondContact O-N 2.9Å; F475-V477 PolarHBondContact O-N 2.84Å; V477-G483 WeakPolarHBondContact O-CA 3.22Å; V477-T484 PolarHBondContact O-N 2.84Å
478	R	96.9	Very high	96.3	Very high	20 Å²	20	31.1 Å²	31.1	8%	0.075	17%	0.168	C	C	.	.	H	α-helix	trans	-79.9	-38	170.5	-54.1	-157.7	-173.3	-51.5	-3.6	112	Q361 F475 L476 G483 T484 F485	Q361-R478 PolarHBondContact O-NH2 2.92Å; F475-R478 WeakPolarHBondContact O-CB 3.4Å; F475-R478 PolarHBondContact O-N 3.46Å; F475-R478 VanDerWaalsContact O-N 3.15Å; L476-R478 PolarHBondContact O-N 3.23Å; R478-G483 CarbonylContact O-C 3.5Å; R478-T484 WeakPolarHBondContact CA-OG1 3.43Å; R478-T484 PolarHBondContact O-N 2.98Å; R478-F485 HydrophobicContact CB-CD1 4.26Å; R478-F485 HydrophobicContact CB-CD2 4.43Å; R478-F485 HydrophobicContact CB-CG 4.22Å; R478-F485 WeakPolarHBondContact O-CB 3.47Å; R478-F485 PolarHBondContact O-N 3.32Å
479	T	97.6	Very high	95.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-106.3	-2	-164.7	69.1	0	0	0	0	116.2	V368 F372 F475 L476 F650 W670 I672	V368-T479 HydrophobicContact CG1-CG2 3.42Å; V368-T479 VanDerWaalsContact CG1-CG2 3.42Å; V368-T479 HydrophobicContact CG2-CG2 4.28Å; F372-T479 HydrophobicContact CE2-CG2 4.08Å; F475-T479 PolarHBondContact O-N 3.32Å; L476-T479 CarbonylContact O-C 3.58Å; L476-T479 PolarHBondContact O-N 3.4Å; T479-F650 HydrophobicContact CG2-CD1 4.23Å; T479-F650 HydrophobicContact CG2-CE1 3.85Å; T479-W670 PolarHBondContact O-NE1 3.26Å; T479-I672 WeakPolarHBondContact O-CD1 3.21Å
480	L	97.4	Very high	95.3	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.194	C	C	.	.	S	Bend	trans	-59.4	160	168	-81.4	163.6	0	0	0	111.4	L470 E471 L476 W482 G483 P500 W670	L470-L480 HydrophobicContact CB-CD1 4.3Å; L470-L480 HydrophobicContact CD1-CD2 4.46Å; E471-L480 HydrophobicContact CG-CD1 3.66Å; L476-L480 WeakPolarHBondContact O-CG 3.47Å; L476-L480 PolarHBondContact O-N 2.93Å; L480-W482 HydrophobicContact CD1-CZ2 4.31Å; L480-W482 HydrophobicContact CD2-CH2 4.28Å; L480-W482 HydrophobicContact CD2-CZ2 4.11Å; L480-W482 PolarHBondContact O-N 3.22Å; L480-W482 VanDerWaalsContact O-N 3.11Å; L480-G483 WeakPolarHBondContact O-CA 3.48Å; L480-G483 PolarHBondContact O-N 3.38Å; L480-P500 HydrophobicContact CD2-CG 3.75Å; L480-W670 HydrophobicContact CD2-CD2 4.28Å; L480-W670 HydrophobicContact CD2-CH2 4.1Å; L480-W670 HydrophobicContact CD2-CZ2 3.77Å; L480-W670 HydrophobicContact CG-CZ2 4.09Å
481	P	96.3	Very high	94.8	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.6	-179.4	-24.6	35.2	0	0	0	114.5	S486 S496 D498 W670	P481-S486 WeakPolarHBondContact O-CB 3.42Å; P481-S486 PolarHBondContact O-OG 3.2Å; P481-S496 VanDerWaalsContact CB-OG 3.24Å; P481-S496 WeakPolarHBondContact CB-OG 3.4Å; P481-D498 HydrophobicContact CB-CB 4.17Å; P481-D498 HydrophobicContact CG-CB 4.14Å; P481-W670 HydrophobicContact CG-CB 4.15Å; P481-W670 HydrophobicContact CG-CG 4.27Å
482	W	95.9	Very high	94.4	Very high	57 Å²	57	46.6 Å²	46.6	22%	0.216	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	10.1	171	54	92.4	0	0	0	113.2	V452 L467 E471 L480 L490 P493 P500	V452-W482 HydrophobicContact CG1-CH2 3.74Å; V452-W482 HydrophobicContact CG1-CZ3 3.81Å; L467-W482 HydrophobicContact CD1-CH2 4.29Å; L467-W482 HydrophobicContact CD1-CZ2 4.4Å; L467-W482 HydrophobicContact CD2-CH2 4.16Å; L467-W482 HydrophobicContact CD2-CZ2 4.36Å; E471-W482 PolarHBondContact OE1-NE1 2.76Å; L480-W482 HydrophobicContact CD1-CZ2 4.31Å; L480-W482 HydrophobicContact CD2-CH2 4.28Å; L480-W482 HydrophobicContact CD2-CZ2 4.11Å; L480-W482 PolarHBondContact O-N 3.22Å; L480-W482 VanDerWaalsContact O-N 3.11Å; W482-L490 HydrophobicContact CE3-CD1 4.46Å; W482-P493 HydrophobicContact CD2-CB 4.16Å; W482-P493 HydrophobicContact CD2-CG 4.14Å; W482-P493 HydrophobicContact CE3-CB 3.98Å; W482-P493 HydrophobicContact CE3-CG 4.45Å; W482-P493 HydrophobicContact CH2-CB 3.72Å; W482-P493 HydrophobicContact CH2-CG 4.41Å; W482-P493 HydrophobicContact CZ2-CB 3.87Å; W482-P493 HydrophobicContact CZ2-CG 4.06Å; W482-P493 HydrophobicContact CZ3-CB 3.77Å; W482-P500 HydrophobicContact CH2-CG 4.4Å
483	G	95.2	Very high	94.3	Very high	10 Å²	10	41.4 Å²	41.4	10%	0.103	21%	0.206	C	C	.	.	S	Bend	trans	-75.7	168.4	-178.7	0	0	0	0	0	113.9	V477 R478 L480 F485 S486	V477-G483 WeakPolarHBondContact O-CA 3.22Å; R478-G483 CarbonylContact O-C 3.5Å; L480-G483 WeakPolarHBondContact O-CA 3.48Å; L480-G483 PolarHBondContact O-N 3.38Å; G483-F485 PolarHBondContact O-N 3.31Å; G483-S486 WeakPolarHBondContact O-CB 3.39Å; G483-S486 PolarHBondContact O-N 3.44Å
484	T	95.3	Very high	94.1	Very high	70 Å²	70	44.6 Å²	44.6	43%	0.429	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-22.6	-167.7	65	0	0	0	0	115.1	V477 R478 K675	V477-T484 PolarHBondContact O-N 2.84Å; R478-T484 WeakPolarHBondContact CA-OG1 3.43Å; R478-T484 PolarHBondContact O-N 2.98Å; T484-K675 WeakPolarHBondContact O-CE 3.01Å; T484-K675 PolarHBondContact O-NZ 2.72Å
485	F	95.6	Very high	93.7	Very high	32 Å²	32	48.2 Å²	48.2	14%	0.14	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-6.9	178.7	-72.3	8.5	0	0	0	114	E365 V368 S369 R478 G483 I672 L674 K675	E365-F485 HydrophobicContact CG-CZ 4.15Å; V368-F485 HydrophobicContact CB-CE2 3.96Å; V368-F485 HydrophobicContact CG1-CD2 3.65Å; V368-F485 HydrophobicContact CG1-CE2 3.54Å; S369-F485 WeakPolarHBondContact OG-CZ 3.49Å; R478-F485 HydrophobicContact CB-CD1 4.26Å; R478-F485 HydrophobicContact CB-CD2 4.43Å; R478-F485 HydrophobicContact CB-CG 4.22Å; R478-F485 WeakPolarHBondContact O-CB 3.47Å; R478-F485 PolarHBondContact O-N 3.32Å; G483-F485 PolarHBondContact O-N 3.31Å; F485-I672 HydrophobicContact CB-CD1 4.21Å; F485-L674 HydrophobicContact CB-CD2 3.76Å; F485-L674 HydrophobicContact CD2-CD2 4.4Å; F485-L674 WeakPolarHBondContact O-CA 3.39Å; F485-K675 WeakPolarHBondContact O-CG 3.09Å; F485-K675 PolarHBondContact O-N 3.04Å
486	S	95	Very high	93.3	Very high	4 Å²	4	48.4 Å²	48.4	3%	0.028	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-78.7	137.7	-179.8	-174.1	0	0	0	0	112.4	P481 G483 L488 R673 K675	P481-S486 WeakPolarHBondContact O-CB 3.42Å; P481-S486 PolarHBondContact O-OG 3.2Å; G483-S486 WeakPolarHBondContact O-CB 3.39Å; G483-S486 PolarHBondContact O-N 3.44Å; S486-L488 VanDerWaalsContact C-N 3.28Å; S486-L488 PolarHBondContact OG-N 3.49Å; S486-R673 CarbonylContact C-O 3.47Å; S486-R673 WeakPolarHBondContact CA-O 3.24Å; S486-K675 WeakPolarHBondContact O-CE 3.48Å
487	S	93.3	Very high	92.9	Very high	44 Å²	44	54.9 Å²	54.9	31%	0.308	28%	0.277	S	S	.	.			trans	-74.9	-18	173	61.9	0	0	0	0	112.8	R673	S487-R673 PolarHBondContact N-O 3.14Å; S487-R673 WeakPolarHBondContact OG-CB 3.3Å; S487-R673 PolarHBondContact OG-O 3.11Å; S487-R673 VanDerWaalsContact OG-O 3.14Å
488	L	90.2	Very high	92.7	Very high	41 Å²	41	53.2 Å²	53.2	22%	0.215	27%	0.266	C	S	.	.			trans	-65.5	134.1	177.7	-66.5	178.7	0	0	0	111.7	S486 L490 R673	S486-L488 VanDerWaalsContact C-N 3.28Å; S486-L488 PolarHBondContact OG-N 3.49Å; L488-L490 HydrophobicContact CB-CD2 4.4Å; L488-L490 HydrophobicContact CB-CG 4.2Å; L488-R673 HydrophobicContact CD1-CG 4.42Å; L488-R673 HydrophobicContact CG-CG 4.31Å
489	R	86.8	Confident	92.5	Very high	238 Å²	238	52.5 Å²	52.5	90%	0.898	27%	0.265	S	S	*	.			trans	-112.9	67.1	174.7	-59.4	-171.2	-171.2	-166	5.5	110.6
490	L	87.8	Confident	92.5	Very high	46 Å²	46	52.5 Å²	52.5	24%	0.241	27%	0.265	C	S	.	.			trans	-72.1	151.4	177.5	-52.6	-179.8	0	0	0	111	W482 L488 E495	W482-L490 HydrophobicContact CE3-CD1 4.46Å; L488-L490 HydrophobicContact CB-CD2 4.4Å; L488-L490 HydrophobicContact CB-CG 4.2Å; L490-E495 HydrophobicContact CD2-CB 4.2Å
491	Q	85.6	Confident	92.5	Very high	173 Å²	173	54.2 Å²	54.2	81%	0.808	27%	0.274	S	S	*	.	S	Bend	trans	-91	-25.1	168.5	-59.3	-62.2	-57.2	0	0	111.5	E495	Q491-E495 WeakPolarHBondContact CA-OE2 3.38Å; Q491-E495 WeakPolarHBondContact CB-OE2 3.07Å; Q491-E495 PolarHBondContact N-OE2 2.96Å
492	S	89.9	Confident	92.5	Very high	31 Å²	31	54.3 Å²	54.3	22%	0.217	27%	0.274	C	S	.	.	S	Bend	trans	-142.3	144.5	177.9	176.7	0	0	0	0	111.1	T494 E495	S492-T494 WeakPolarHBondContact CB-OG1 3.26Å; S492-T494 PolarHBondContact O-N 2.91Å; S492-T494 VanDerWaalsContact O-N 3.11Å; S492-T494 WeakPolarHBondContact OG-CG2 3.49Å; S492-T494 PolarHBondContact OG-N 3.03Å; S492-T494 PolarHBondContact OG-OG1 2.83Å; S492-E495 PolarHBondContact N-OE2 2.71Å; S492-E495 WeakPolarHBondContact O-CB 3.39Å; S492-E495 PolarHBondContact O-N 3.23Å
493	P	93.1	Very high	92.6	Very high	24 Å²	24	54.1 Å²	54.1	16%	0.156	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-51.1	-31.7	167.3	-28.8	37	0	0	0	113.4	V452 Y462 L467 W482 E495 S496	V452-P493 WeakPolarHBondContact CB-O 3.4Å; V452-P493 HydrophobicContact CG1-CB 4.13Å; V452-P493 WeakPolarHBondContact CG1-O 3.47Å; Y462-P493 HydrophobicContact CE2-CB 4.08Å; Y462-P493 HydrophobicContact CE2-CG 4.49Å; L467-P493 HydrophobicContact CD1-CB 4.2Å; W482-P493 HydrophobicContact CD2-CB 4.16Å; W482-P493 HydrophobicContact CD2-CG 4.14Å; W482-P493 HydrophobicContact CE3-CB 3.98Å; W482-P493 HydrophobicContact CE3-CG 4.45Å; W482-P493 HydrophobicContact CH2-CB 3.72Å; W482-P493 HydrophobicContact CH2-CG 4.41Å; W482-P493 HydrophobicContact CZ2-CB 3.87Å; W482-P493 HydrophobicContact CZ2-CG 4.06Å; W482-P493 HydrophobicContact CZ3-CB 3.77Å; P493-E495 PolarHBondContact O-N 3.11Å; P493-S496 WeakPolarHBondContact O-CB 3.41Å; P493-S496 PolarHBondContact O-N 2.99Å; P493-S496 VanDerWaalsContact O-N 3.14Å
494	T	92.8	Very high	92.8	Very high	70 Å²	70	53.7 Å²	53.7	43%	0.429	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-66.1	-4.5	178.8	68.6	0	0	0	0	114.6	V452 Y462 S492	V452-T494 WeakPolarHBondContact O-CA 3.33Å; V452-T494 WeakPolarHBondContact O-CG2 3.44Å; Y462-T494 HydrophobicContact CD1-CG2 3.91Å; Y462-T494 HydrophobicContact CD2-CG2 3.55Å; Y462-T494 HydrophobicContact CE1-CG2 4.08Å; Y462-T494 HydrophobicContact CE2-CG2 3.74Å; Y462-T494 HydrophobicContact CG-CG2 3.64Å; S492-T494 WeakPolarHBondContact CB-OG1 3.26Å; S492-T494 PolarHBondContact O-N 2.91Å; S492-T494 VanDerWaalsContact O-N 3.11Å; S492-T494 WeakPolarHBondContact OG-CG2 3.49Å; S492-T494 PolarHBondContact OG-N 3.03Å; S492-T494 PolarHBondContact OG-OG1 2.83Å
495	E	89.8	Confident	92.9	Very high	100 Å²	100	52.5 Å²	52.5	47%	0.467	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-100	5.7	177.5	-60.4	170.1	151.9	0	0	112	L490 Q491 S492 P493	L490-E495 HydrophobicContact CD2-CB 4.2Å; Q491-E495 WeakPolarHBondContact CA-OE2 3.38Å; Q491-E495 WeakPolarHBondContact CB-OE2 3.07Å; Q491-E495 PolarHBondContact N-OE2 2.96Å; S492-E495 PolarHBondContact N-OE2 2.71Å; S492-E495 WeakPolarHBondContact O-CB 3.39Å; S492-E495 PolarHBondContact O-N 3.23Å; P493-E495 PolarHBondContact O-N 3.11Å
496	S	90.1	Very high	92.9	Very high	11 Å²	11	51 Å²	51	8%	0.077	25%	0.25	C	S	.	.			trans	-95.5	117.9	-178.9	-159.9	0	0	0	0	113.2	P481 P493 D498	P481-S496 VanDerWaalsContact CB-OG 3.24Å; P481-S496 WeakPolarHBondContact CB-OG 3.4Å; P493-S496 WeakPolarHBondContact O-CB 3.41Å; P493-S496 PolarHBondContact O-N 2.99Å; P493-S496 VanDerWaalsContact O-N 3.14Å; S496-D498 PolarHBondContact OG-N 3.23Å
497	D	89.9	Confident	93	Very high	136 Å²	136	50.8 Å²	50.8	73%	0.727	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-10.1	165.3	-60.8	-54.5	0	0	0	112.8
498	D	93.1	Very high	93.2	Very high	10 Å²	10	50.6 Å²	50.6	5%	0.053	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-5.9	-172.5	-71.1	-6.6	0	0	0	113.3	P481 S496 W670 H671 R673	P481-D498 HydrophobicContact CB-CB 4.17Å; P481-D498 HydrophobicContact CG-CB 4.14Å; S496-D498 PolarHBondContact OG-N 3.23Å; D498-W670 CarbonylContact O-C 3.51Å; D498-W670 WeakPolarHBondContact O-CA 3.47Å; D498-W670 VanDerWaalsContact O-CB 3.22Å; D498-W670 WeakPolarHBondContact O-CB 3.42Å; D498-H671 HydrophobicContact CB-CB 4.08Å; D498-H671 PolarHBondContact O-N 3.11Å; D498-R673 IonicContact OD1-CZ 3.41Å; D498-R673 IonicContact OD1-NE 3.62Å; D498-R673 PolarHBondContact OD1-NE 3.18Å; D498-R673 IonicContact OD1-NH2 3.94Å; D498-R673 PolarHBondContact OD1-NH2 3.04Å; D498-R673 WeakPolarHBondContact OD2-CG 3.34Å; D498-R673 IonicContact OD2-CZ 2.77Å; D498-R673 IonicContact OD2-NE 3.68Å; D498-R673 PolarHBondContact OD2-NE 2.8Å; D498-R673 IonicContact OD2-NH2 2.76Å; D498-R673 PolarHBondContact OD2-NH2 2.86Å
499	G	92.3	Very high	93.5	Very high	5 Å²	5	49.9 Å²	49.9	5%	0.052	24%	0.238	C	C	.	.			trans	111.2	-160.7	-179.2	0	0	0	0	0	113.4	V452	V452-G499 WeakPolarHBondContact CG1-O 3.21Å
500	P	96.9	Very high	93.8	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.			cis	-67.5	145.6	1.2	-25.9	37.5	0	0	0	116.8	L451 L467 L470 L480 W482 A669 W670	L451-P500 HydrophobicContact CD1-CB 4.41Å; L451-P500 PolarHBondContact N-O 3.26Å; L467-P500 HydrophobicContact CD2-CG 4.18Å; L470-P500 HydrophobicContact CD1-CG 4.2Å; L480-P500 HydrophobicContact CD2-CG 3.75Å; W482-P500 HydrophobicContact CH2-CG 4.4Å; P500-A669 WeakPolarHBondContact CA-O 3.38Å; P500-W670 HydrophobicContact CB-CD2 4.45Å; P500-W670 HydrophobicContact CB-CE3 3.7Å; P500-W670 HydrophobicContact CB-CZ3 4.27Å; P500-W670 HydrophobicContact CG-CB 4.44Å; P500-W670 HydrophobicContact CG-CD2 4.02Å; P500-W670 HydrophobicContact CG-CE3 3.62Å; P500-W670 HydrophobicContact CG-CG 4.4Å; P500-W670 HydrophobicContact CG-CZ3 4.13Å
501	I	96.8	Very high	94	Very high	37 Å²	37	40.9 Å²	40.9	19%	0.19	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.6	168.8	53.2	158.9	0	0	0	111.1	Q448 W503 L668 A669	Q448-I501 HydrophobicContact CB-CB 4.33Å; Q448-I501 HydrophobicContact CB-CD1 4.1Å; I501-W503 HydrophobicContact CD1-CE3 4.2Å; I501-W503 HydrophobicContact CD1-CZ3 3.92Å; I501-W503 HydrophobicContact CG1-CE3 4.38Å; I501-W503 HydrophobicContact CG1-CZ3 4.04Å; I501-L668 WeakPolarHBondContact O-CA 3.41Å; I501-A669 WeakPolarHBondContact CG1-O 3.45Å; I501-A669 PolarHBondContact N-O 2.86Å; I501-A669 PolarHBondContact O-N 2.94Å
502	M	97.8	Very high	94.3	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137.1	177.8	-176.9	-179	55.6	0	0	111.9	F397 F401 M425 M446 Q448 V449 L451 S667 L668	F397-M502 HydrophobicContact CB-SD 3.83Å; F401-M502 HydrophobicContact CB-CE 4.42Å; F401-M502 HydrophobicContact CD1-CE 4.31Å; F401-M502 HydrophobicContact CD2-CE 3.45Å; F401-M502 VanDerWaalsContact CD2-CE 3.45Å; F401-M502 HydrophobicContact CD2-SD 3.56Å; F401-M502 VanDerWaalsContact CD2-SD 3.56Å; F401-M502 HydrophobicContact CE1-CE 4.5Å; F401-M502 HydrophobicContact CE2-CE 3.69Å; F401-M502 HydrophobicContact CE2-SD 3.6Å; F401-M502 HydrophobicContact CG-CE 3.81Å; F401-M502 HydrophobicContact CG-SD 4.48Å; F401-M502 HydrophobicContact CZ-CE 4.23Å; M425-M502 HydrophobicContact CE-CE 3.92Å; M446-M502 HydrophobicContact CE-CE 4.23Å; Q448-M502 CarbonylContact C-O 3.41Å; Q448-M502 WeakPolarHBondContact CA-O 3.24Å; V449-M502 PolarHBondContact N-O 2.72Å; V449-M502 PolarHBondContact O-N 3.14Å; L451-M502 HydrophobicContact CD1-CB 4.33Å; L451-M502 HydrophobicContact CD2-CB 4.09Å; L451-M502 HydrophobicContact CD2-CE 4.39Å; L451-M502 HydrophobicContact CG-CB 4.32Å; M502-S667 WeakPolarHBondContact CA-O 3.3Å; M502-L668 HydrophobicContact CB-CD2 3.6Å; M502-L668 HydrophobicContact CG-CD2 3.83Å
503	W	97.9	Very high	94.1	Very high	53 Å²	53	37.2 Å²	37.2	20%	0.201	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	164.2	169.8	68.5	98.4	0	0	0	112.8	I501 C666 S667 A669	I501-W503 HydrophobicContact CD1-CE3 4.2Å; I501-W503 HydrophobicContact CD1-CZ3 3.92Å; I501-W503 HydrophobicContact CG1-CE3 4.38Å; I501-W503 HydrophobicContact CG1-CZ3 4.04Å; W503-C666 WeakPolarHBondContact O-CA 3.23Å; W503-S667 PolarHBondContact N-O 2.89Å; W503-S667 PolarHBondContact O-N 3.33Å; W503-A669 HydrophobicContact CH2-CB 3.56Å; W503-A669 HydrophobicContact CZ3-CB 3.7Å
504	V	98.1	Very high	93.8	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.006	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	127.7	-177.9	-171.8	0	0	0	0	111	F428 Y441 A445 M446 V576 V665 C666	F428-V504 HydrophobicContact CE1-CB 4.05Å; F428-V504 HydrophobicContact CE1-CG1 4.29Å; F428-V504 HydrophobicContact CE1-CG2 4.27Å; F428-V504 HydrophobicContact CZ-CB 4.18Å; F428-V504 HydrophobicContact CZ-CG1 4.31Å; Y441-V504 HydrophobicContact CE1-CG1 4.14Å; A445-V504 CarbonylContact C-O 3.32Å; A445-V504 WeakPolarHBondContact CA-O 3.13Å; M446-V504 HydrophobicContact CB-CB 3.98Å; M446-V504 HydrophobicContact CB-CG2 4.42Å; M446-V504 HydrophobicContact CE-CG2 3.93Å; M446-V504 PolarHBondContact N-O 2.77Å; M446-V504 HydrophobicContact SD-CG2 4.41Å; V504-V576 HydrophobicContact CG1-CG2 3.88Å; V504-V665 WeakPolarHBondContact CA-O 3.18Å; V504-C666 HydrophobicContact CG2-CB 4.24Å
505	R	97.7	Very high	93.4	Very high	45 Å²	45	39.5 Å²	39.5	17%	0.17	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	143.1	-177.8	-59.9	-58.8	-63	-178.2	-3.5	111.2	E413 D549 T661 A664 V665	E413-R505 IonicContact OE2-NH1 2.72Å; R505-D549 IonicContact CZ-OD1 2.8Å; R505-D549 IonicContact NE-OD1 3.99Å; R505-D549 PolarHBondContact NE-OD1 2.71Å; R505-D549 IonicContact NE-OD2 2.85Å; R505-D549 IonicContact NH2-OD1 3.82Å; R505-D549 PolarHBondContact NH2-OD1 2.82Å; R505-D549 IonicContact NH2-OD2 3.26Å; R505-T661 HydrophobicContact CB-CG2 3.72Å; R505-A664 WeakPolarHBondContact O-CA 3.41Å; R505-V665 HydrophobicContact CB-CG1 4.41Å; R505-V665 PolarHBondContact N-O 3.07Å; R505-V665 PolarHBondContact O-N 2.91Å; R505-V665 VanDerWaalsContact O-N 3.1Å
506	P	96.9	Very high	93	Very high	1 Å²	1	36 Å²	36	1%	0.006	19%	0.193	C	C	.	.			trans	-79.7	-18.6	-179.3	30.5	-37.7	0	0	0	116.4	T440 Y441 Q509 F547 D549	T440-P506 WeakPolarHBondContact CA-O 3.43Å; T440-P506 VanDerWaalsContact CB-O 3.32Å; T440-P506 WeakPolarHBondContact CB-O 3.17Å; Y441-P506 HydrophobicContact CD1-CB 4.18Å; Y441-P506 HydrophobicContact CD2-CB 4Å; Y441-P506 VanDerWaalsContact CE1-CA 3.41Å; Y441-P506 HydrophobicContact CE1-CB 3.94Å; Y441-P506 HydrophobicContact CE2-CB 3.72Å; Y441-P506 HydrophobicContact CG-CB 4.19Å; Y441-P506 PolarHBondContact N-O 3.34Å; Y441-P506 WeakPolarHBondContact O-CB 3.43Å; P506-Q509 PolarHBondContact O-NE2 3.21Å; P506-F547 HydrophobicContact CG-CD1 4.23Å; P506-F547 HydrophobicContact CG-CE1 3.49Å; P506-F547 VanDerWaalsContact CG-CE1 3.49Å; P506-F547 HydrophobicContact CG-CZ 4.02Å; P506-D549 WeakPolarHBondContact CD-OD2 3.4Å; P506-D549 WeakPolarHBondContact CG-OD2 3.3Å
507	G	97	Very high	92.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.204	C	C	.	.			trans	87.5	144.7	-172.5	0	0	0	0	0	113.2	Q509 D549	G507-Q509 PolarHBondContact O-N 3.07Å; G507-Q509 PolarHBondContact O-NE2 3.46Å; G507-D549 WeakPolarHBondContact CA-OD2 3.12Å; G507-D549 PolarHBondContact N-OD2 3Å
508	E	96.4	Very high	91.4	Very high	40 Å²	40	39.9 Å²	39.9	19%	0.187	21%	0.207	C	C	.	.	S	Bend	trans	-65	125.9	179.8	176.7	170.6	112	0	0	111.4	L546 F547 D549 R550 K660 T661	E508-L546 HydrophobicContact CG-CD1 3.94Å; E508-F547 WeakPolarHBondContact CA-O 3.45Å; E508-F547 WeakPolarHBondContact CG-O 3.48Å; E508-D549 HydrophobicContact CB-CB 4.19Å; E508-R550 IonicContact OE1-NH2 3.21Å; E508-R550 IonicContact OE2-CZ 3.95Å; E508-R550 IonicContact OE2-NE 3.71Å; E508-R550 PolarHBondContact OE2-NE 2.95Å; E508-R550 IonicContact OE2-NH2 3.71Å; E508-R550 PolarHBondContact OE2-NH2 3.02Å; E508-K660 VanDerWaalsContact OE1-CE 3.24Å; E508-K660 WeakPolarHBondContact OE1-CE 3.36Å; E508-K660 IonicContact OE1-NZ 3.9Å; E508-K660 PolarHBondContact OE1-NZ 2.85Å; E508-K660 IonicContact OE2-NZ 3.99Å; E508-T661 PolarHBondContact N-O 3.25Å
509	Q	95.8	Very high	89.5	Confident	25 Å²	25	43.2 Å²	43.2	12%	0.117	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.8	163	-169.9	65.4	-171	-84.5	0	0	112.9	Y441 R442 P506 G507 I511 F547	Y441-Q509 PolarHBondContact O-NE2 3.37Å; R442-Q509 VanDerWaalsContact CG-OE1 3.26Å; P506-Q509 PolarHBondContact O-NE2 3.21Å; G507-Q509 PolarHBondContact O-N 3.07Å; G507-Q509 PolarHBondContact O-NE2 3.46Å; Q509-I511 HydrophobicContact CG-CD1 3.63Å; Q509-I511 HydrophobicContact CG-CG1 4.17Å; Q509-F547 HydrophobicContact CG-CB 4.4Å; Q509-F547 PolarHBondContact N-O 2.92Å; Q509-F547 PolarHBondContact O-N 2.93Å
510	M	94.4	Very high	87.7	Confident	94 Å²	94	48.2 Å²	48.2	46%	0.463	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	115.7	169	-64.9	-58.8	-60.7	0	0	110.1	E544 L546	M510-E544 HydrophobicContact CB-CB 4.37Å; M510-E544 HydrophobicContact CE-CB 3.64Å; M510-L546 HydrophobicContact SD-CB 3.85Å; M510-L546 HydrophobicContact SD-CD1 3.91Å; M510-L546 HydrophobicContact SD-CG 4.5Å
511	I	92.4	Very high	85.6	Confident	2 Å²	2	56.4 Å²	56.4	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	121.8	178	-60.6	-63.9	0	0	0	110	L415 R442 Q509 D515 M516 E544 M545 F547	L415-I511 HydrophobicContact CD1-CD1 4.12Å; L415-I511 HydrophobicContact CD1-CG1 4.3Å; L415-I511 HydrophobicContact CD2-CD1 4.36Å; L415-I511 HydrophobicContact CD2-CG2 4.07Å; L415-I511 HydrophobicContact CG-CG2 4.49Å; R442-I511 HydrophobicContact CB-CD1 4.48Å; R442-I511 HydrophobicContact CG-CD1 3.84Å; Q509-I511 HydrophobicContact CG-CD1 3.63Å; Q509-I511 HydrophobicContact CG-CG1 4.17Å; I511-D515 HydrophobicContact CG2-CB 4.44Å; I511-M516 HydrophobicContact CG2-CG 4.15Å; I511-M516 HydrophobicContact CG2-SD 4.07Å; I511-E544 CarbonylContact O-C 3.51Å; I511-E544 VanDerWaalsContact O-CA 3.24Å; I511-E544 WeakPolarHBondContact O-CA 3.27Å; I511-M545 PolarHBondContact N-O 2.88Å; I511-M545 PolarHBondContact O-N 2.99Å; I511-F547 HydrophobicContact CG1-CB 3.69Å; I511-F547 HydrophobicContact CG1-CG 4.47Å
512	P	90.8	Very high	83.2	Confident	39 Å²	39	64.3 Å²	64.3	25%	0.253	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	135.4	171.3	-25.2	34.8	0	0	0	112.9	A514 D515 M516	P512-A514 PolarHBondContact O-N 3.09Å; P512-D515 WeakPolarHBondContact CD-OD2 3.47Å; P512-D515 PolarHBondContact O-N 3.12Å; P512-M516 PolarHBondContact O-N 3.11Å
513	M	86.8	Confident	81.2	Confident	87 Å²	87	75.6 Å²	75.6	43%	0.429	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-3.9	178.2	-68.9	-66.7	-70.5	0	0	114.1	M516 R543 M545	M513-M516 HydrophobicContact SD-CG 3.95Å; M513-R543 WeakPolarHBondContact CB-O 3.36Å; M513-R543 WeakPolarHBondContact CG-O 3.31Å; M513-R543 PolarHBondContact N-O 2.77Å; M513-M545 HydrophobicContact CE-CE 4.34Å; M513-M545 HydrophobicContact SD-CB 4.15Å; M513-M545 HydrophobicContact SD-CE 3.76Å
514	A	85.3	Confident	79	Confident	75 Å²	75	82.5 Å²	82.5	62%	0.62	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-33.5	170.6	0	0	0	0	0	112.9	P512	P512-A514 PolarHBondContact O-N 3.09Å
515	D	84.3	Confident	76.8	Confident	67 Å²	67	92 Å²	92	36%	0.358	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-26.9	-179.4	-55.1	-32.2	0	0	0	111.2	R442 I511 P512	R442-D515 IonicContact CZ-OD2 2.72Å; R442-D515 IonicContact NH1-OD1 3.14Å; R442-D515 IonicContact NH1-OD2 3.17Å; R442-D515 PolarHBondContact NH1-OD2 2.94Å; I511-D515 HydrophobicContact CG2-CB 4.44Å; P512-D515 WeakPolarHBondContact CD-OD2 3.47Å; P512-D515 PolarHBondContact O-N 3.12Å
516	M	82.3	Confident	74.7	Confident	28 Å²	28	93.7 Å²	93.7	14%	0.138	46%	0.46	C	S	.	.	S	Bend	trans	-52.8	123.8	174	-74	-67.3	-63.8	0	0	111.5	G416 I511 P512 M513 K518 M545	G416-M516 WeakPolarHBondContact O-CE 3.48Å; I511-M516 HydrophobicContact CG2-CG 4.15Å; I511-M516 HydrophobicContact CG2-SD 4.07Å; P512-M516 PolarHBondContact O-N 3.11Å; M513-M516 HydrophobicContact SD-CG 3.95Å; M516-K518 PolarHBondContact O-N 2.88Å; M516-M545 HydrophobicContact CE-CE 3.81Å; M516-M545 HydrophobicContact CE-SD 4.15Å; M516-M545 HydrophobicContact SD-SD 4.49Å
517	P	74.6	Confident	72.6	Confident	47 Å²	47	100 Å²	100	31%	0.305	50%	0.499	S	S	.	.			trans	-69.1	95.7	-172	22.3	-29.2	0	0	0	111.6	V414 L415 K417 S519	V414-P517 HydrophobicContact CG1-CB 4.45Å; V414-P517 HydrophobicContact CG1-CG 3.71Å; L415-P517 WeakPolarHBondContact O-CD 3.42Å; L415-P517 VanDerWaalsContact O-CG 3.3Å; L415-P517 WeakPolarHBondContact O-CG 3.22Å; K417-P517 HydrophobicContact CD-CG 4.39Å; K417-P517 WeakPolarHBondContact CE-O 3.48Å; K417-P517 PolarHBondContact NZ-O 3.06Å; P517-S519 PolarHBondContact O-N 3.09Å
518	K	70.8	Confident	70.6	Confident	181 Å²	181	103.3 Å²	103.3	79%	0.787	52%	0.516	S	S	*	.			trans	-33.3	122.8	-176.9	-69.1	163	-174.5	157.9	0	112	M516	M516-K518 PolarHBondContact O-N 2.88Å
519	S	55.3	Low	68.9	Low	80 Å²	80	106.1 Å²	106.1	56%	0.559	53%	0.53	S	S	*	.			trans	-52.3	129.8	-176.1	-176.4	0	0	0	0	111.2	P517 F521	P517-S519 PolarHBondContact O-N 3.09Å; S519-F521 CarbonylContact O-C 3.2Å; S519-F521 PolarHBondContact O-N 2.9Å; S519-F521 VanDerWaalsContact O-N 3.08Å
520	P	52.7	Low	67.1	Low	110 Å²	110	111 Å²	111	71%	0.714	56%	0.555	S	S	*	*	S	Bend	trans	-65	-15	-178.2	26.9	-35.1	0	0	0	112.6	K522	P520-K522 PolarHBondContact O-N 2.87Å
521	F	53	Low	65.2	Low	172 Å²	172	113.1 Å²	113.1	75%	0.754	56%	0.562	S	S	*	*	S	Bend	trans	-63.5	88	161	-77.1	-80.9	0	0	0	110.4	S519 R523	S519-F521 CarbonylContact O-C 3.2Å; S519-F521 PolarHBondContact O-N 2.9Å; S519-F521 VanDerWaalsContact O-N 3.08Å; F521-R523 PolarHBondContact O-N 2.84Å
522	K	46.5	Very low	63.5	Low	202 Å²	202	118.8 Å²	118.8	88%	0.878	59%	0.592	S	S	*	*			trans	-53.4	89.9	155.5	-71.7	-179.1	180	174.8	0	108.3	P520 K524	P520-K522 PolarHBondContact O-N 2.87Å; K522-K524 VanDerWaalsContact C-N 3.3Å; K522-K524 PolarHBondContact O-N 3.15Å
523	R	55.7	Low	61.9	Low	239 Å²	239	122.1 Å²	122.1	90%	0.902	61%	0.607	S	S	*	*			trans	-52.7	103.3	155.8	-78	-170.6	-80.9	169.2	-5.9	105.4	F521 R525	F521-R523 PolarHBondContact O-N 2.84Å; R523-R525 PolarHBondContact O-N 2.84Å; R523-R525 VanDerWaalsContact O-N 3.14Å
524	K	51.5	Low	60.4	Low	198 Å²	198	124 Å²	124	86%	0.861	62%	0.615	S	S	*	*			trans	-46.8	126.9	163.2	-83.4	-176.3	175	178.3	0	105.2	K522 S526	K522-K524 VanDerWaalsContact C-N 3.3Å; K522-K524 PolarHBondContact O-N 3.15Å; K524-S526 VanDerWaalsContact C-N 3.28Å; K524-S526 PolarHBondContact O-N 3.45Å
525	R	52.6	Low	58.9	Low	199 Å²	199	130.9 Å²	130.9	75%	0.751	63%	0.626	S	S	*	*			trans	-56.4	99.7	168.7	-69	172.1	-178.5	-132.5	18.1	106.4	R523 E529	R523-R525 PolarHBondContact O-N 2.84Å; R523-R525 VanDerWaalsContact O-N 3.14Å; R525-E529 WeakPolarHBondContact CD-OE1 3.41Å; R525-E529 IonicContact CZ-OE1 2.7Å; R525-E529 IonicContact NE-OE1 2.85Å; R525-E529 IonicContact NH1-OE1 2.92Å; R525-E529 PolarHBondContact NH1-OE1 3.35Å; R525-E529 IonicContact NH1-OE2 3.17Å; R525-E529 PolarHBondContact NH1-OE2 2.82Å
526	S	53.3	Low	57.5	Low	81 Å²	81	133.4 Å²	133.4	57%	0.566	64%	0.639	S	S	*	*			trans	-61.5	138.5	158.9	58.3	0	0	0	0	105.8	K524 N528	K524-S526 VanDerWaalsContact C-N 3.28Å; K524-S526 PolarHBondContact O-N 3.45Å; S526-N528 PolarHBondContact O-N 3.2Å
527	T	53.1	Low	56.2	Low	135 Å²	135	135.6 Å²	135.6	83%	0.828	66%	0.656	S	S	*	*	S	Bend	trans	-71.1	28.7	-172.6	41.2	0	0	0	0	114.2
528	N	56.3	Low	55.3	Low	68 Å²	68	142.2 Å²	142.2	36%	0.364	68%	0.675	S	S	.	*			trans	-100.1	18.5	179.2	-77.1	-29.6	0	0	0	113	S526 I530 K531 N532	S526-N528 PolarHBondContact O-N 3.2Å; N528-I530 PolarHBondContact O-N 3.5Å; N528-I530 VanDerWaalsContact O-N 3.16Å; N528-K531 HydrophobicContact CB-CB 4.2Å; N528-K531 HydrophobicContact CB-CD 4.47Å; N528-K531 HydrophobicContact CB-CG 4.34Å; N528-K531 WeakPolarHBondContact O-CA 3.14Å; N528-K531 PolarHBondContact O-N 3.01Å; N528-K531 WeakPolarHBondContact OD1-CD 3.07Å; N528-K531 WeakPolarHBondContact OD1-CE 3.28Å; N528-N532 PolarHBondContact O-N 2.95Å
529	E	59.7	Low	54.6	Low	100 Å²	100	138.7 Å²	138.7	47%	0.467	67%	0.669	S	S	.	*	H	α-helix	trans	-52.2	-37.1	171.5	-65.8	-176.2	180	0	0	111	R525 K531 N532 L533	R525-E529 WeakPolarHBondContact CD-OE1 3.41Å; R525-E529 IonicContact CZ-OE1 2.7Å; R525-E529 IonicContact NE-OE1 2.85Å; R525-E529 IonicContact NH1-OE1 2.92Å; R525-E529 PolarHBondContact NH1-OE1 3.35Å; R525-E529 IonicContact NH1-OE2 3.17Å; R525-E529 PolarHBondContact NH1-OE2 2.82Å; E529-K531 VanDerWaalsContact C-N 3.34Å; E529-K531 PolarHBondContact O-N 3.41Å; E529-N532 PolarHBondContact O-N 2.7Å; E529-L533 VanDerWaalsContact O-CG 3.31Å; E529-L533 WeakPolarHBondContact O-CG 3.29Å; E529-L533 PolarHBondContact O-N 2.88Å; E529-L533 VanDerWaalsContact O-N 3.08Å
530	I	58.1	Low	55.1	Low	127 Å²	127	138.5 Å²	138.5	65%	0.651	67%	0.667	S	S	*	*	H	α-helix	trans	-65.4	-32.6	175	-54.9	174.4	0	0	0	112.5	N528 L533	N528-I530 PolarHBondContact O-N 3.5Å; N528-I530 VanDerWaalsContact O-N 3.16Å; I530-L533 PolarHBondContact O-N 3.41Å
531	K	55.2	Low	55.9	Low	139 Å²	139	140.5 Å²	140.5	60%	0.604	67%	0.667	S	S	*	*	H	α-helix	trans	-78	-33.6	177.3	-59.4	-165.8	-175.8	-177.8	0	112.1	N528 E529 L533 Q534	N528-K531 HydrophobicContact CB-CB 4.2Å; N528-K531 HydrophobicContact CB-CD 4.47Å; N528-K531 HydrophobicContact CB-CG 4.34Å; N528-K531 WeakPolarHBondContact O-CA 3.14Å; N528-K531 PolarHBondContact O-N 3.01Å; N528-K531 WeakPolarHBondContact OD1-CD 3.07Å; N528-K531 WeakPolarHBondContact OD1-CE 3.28Å; E529-K531 VanDerWaalsContact C-N 3.34Å; E529-K531 PolarHBondContact O-N 3.41Å; K531-L533 VanDerWaalsContact C-N 3.26Å; K531-L533 PolarHBondContact O-N 3.44Å; K531-Q534 PolarHBondContact O-N 3.44Å
532	N	55.2	Low	57	Low	120 Å²	120	137.1 Å²	137.1	64%	0.642	66%	0.663	S	S	*	*	H	α-helix	trans	-74	-16.2	172.1	-75.1	26	0	0	0	113	N528 E529 Q534	N528-N532 PolarHBondContact O-N 2.95Å; E529-N532 PolarHBondContact O-N 2.7Å; N532-Q534 VanDerWaalsContact C-N 3.32Å
533	L	57.1	Low	58.8	Low	109 Å²	109	135.9 Å²	135.9	57%	0.571	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	-13.2	169.9	-73.8	168.1	0	0	0	113.2	E529 I530 K531	E529-L533 VanDerWaalsContact O-CG 3.31Å; E529-L533 WeakPolarHBondContact O-CG 3.29Å; E529-L533 PolarHBondContact O-N 2.88Å; E529-L533 VanDerWaalsContact O-N 3.08Å; I530-L533 PolarHBondContact O-N 3.41Å; K531-L533 VanDerWaalsContact C-N 3.26Å; K531-L533 PolarHBondContact O-N 3.44Å
534	Q	56.1	Low	60.5	Low	127 Å²	127	129.5 Å²	129.5	59%	0.593	63%	0.633	S	S	*	*	S	Bend	trans	-96.7	109.5	176.2	-73.2	-173.4	-29.9	0	0	110.9	K531 N532 L536	K531-Q534 PolarHBondContact O-N 3.44Å; N532-Q534 VanDerWaalsContact C-N 3.32Å; Q534-L536 PolarHBondContact O-N 3.16Å
535	Y	53.7	Low	62.3	Low	219 Å²	219	123.9 Å²	123.9	86%	0.859	61%	0.611	S	S	*	*	S	Bend	trans	72.1	11.2	164.7	-53	-72.3	0	0	0	119.8
536	L	54.8	Low	64.3	Low	120 Å²	120	118 Å²	118	63%	0.628	59%	0.594	S	S	*	*			trans	-102.9	113.1	158	-86.2	169	0	0	0	110.7	Q534 R538	Q534-L536 PolarHBondContact O-N 3.16Å; L536-R538 PolarHBondContact O-N 2.76Å
537	P	54.3	Low	66.2	Low	75 Å²	75	115.8 Å²	115.8	49%	0.487	57%	0.574	S	S	.	*			trans	-62	133	174.5	-23.9	35.3	0	0	0	112	T539 S540	P537-T539 VanDerWaalsContact CB-OG1 3.3Å; P537-T539 WeakPolarHBondContact CB-OG1 3.42Å; P537-T539 PolarHBondContact O-N 2.67Å; P537-S540 PolarHBondContact O-N 3.32Å; P537-S540 PolarHBondContact O-OG 2.82Å
538	R	55.9	Low	68.1	Low	185 Å²	185	114.6 Å²	114.6	70%	0.698	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67	17	171.6	-65.1	179.5	176.8	161.8	-4.2	114.3	L536 R543	L536-R538 PolarHBondContact O-N 2.76Å; R538-R543 PolarHBondContact O-NH2 3.14Å
539	T	57.6	Low	70	Confident	108 Å²	108	111.3 Å²	111.3	66%	0.663	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-5.8	178.1	59.2	0	0	0	0	112.3	P537	P537-T539 VanDerWaalsContact CB-OG1 3.3Å; P537-T539 WeakPolarHBondContact CB-OG1 3.42Å; P537-T539 PolarHBondContact O-N 2.67Å
540	S	65.9	Low	71.7	Confident	76 Å²	76	109.4 Å²	109.4	53%	0.531	53%	0.53	S	S	.	.	S	Bend	trans	-102.1	-8.3	-179.6	66.1	0	0	0	0	115.2	P537	P537-S540 PolarHBondContact O-N 3.32Å; P537-S540 PolarHBondContact O-OG 2.82Å
541	E	68.8	Low	73.5	Confident	151 Å²	151	105.3 Å²	105.3	71%	0.706	51%	0.511	S	S	*	.	S	Bend	trans	-83.8	124.7	169.9	-68.7	-172.9	145.2	0	0	109.3	R543	E541-R543 PolarHBondContact O-N 3.11Å
542	P	75.2	Confident	75.5	Confident	102 Å²	102	103.5 Å²	103.5	66%	0.662	50%	0.5	S	S	*	.			trans	-57.3	127.8	173	-24.7	34.7	0	0	0	110.8
543	R	85.6	Confident	77.5	Confident	175 Å²	175	97.8 Å²	97.8	66%	0.66	47%	0.47	S	S	*	.	S	Bend	trans	-91.7	-16.4	-179.4	-63.5	-174.9	175.4	-138.1	-3.3	113	M513 R538 E541	M513-R543 WeakPolarHBondContact CB-O 3.36Å; M513-R543 WeakPolarHBondContact CG-O 3.31Å; M513-R543 PolarHBondContact N-O 2.77Å; R538-R543 PolarHBondContact O-NH2 3.14Å; E541-R543 PolarHBondContact O-N 3.11Å
544	E	90.8	Very high	79.5	Confident	106 Å²	106	93.1 Å²	93.1	50%	0.495	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	155.3	-178.3	-66	161.9	-170.6	0	0	108.4	M510 I511	M510-E544 HydrophobicContact CB-CB 4.37Å; M510-E544 HydrophobicContact CE-CB 3.64Å; I511-E544 CarbonylContact O-C 3.51Å; I511-E544 VanDerWaalsContact O-CA 3.24Å; I511-E544 WeakPolarHBondContact O-CA 3.27Å
545	M	90	Very high	81.3	Confident	80 Å²	80	87.1 Å²	87.1	39%	0.394	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	134.7	177.1	-176.9	-175.3	-58	0	0	108.6	I511 M513 M516 F547	I511-M545 PolarHBondContact N-O 2.88Å; I511-M545 PolarHBondContact O-N 2.99Å; M513-M545 HydrophobicContact CE-CE 4.34Å; M513-M545 HydrophobicContact SD-CB 4.15Å; M513-M545 HydrophobicContact SD-CE 3.76Å; M516-M545 HydrophobicContact CE-CE 3.81Å; M516-M545 HydrophobicContact CE-SD 4.15Å; M516-M545 HydrophobicContact SD-SD 4.49Å; M545-F547 PolarHBondContact O-N 2.8Å
546	L	93	Very high	83.3	Confident	75 Å²	75	77.7 Å²	77.7	39%	0.393	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	119.4	170.1	-179.1	63.3	0	0	0	109.1	E508 M510 E548	E508-L546 HydrophobicContact CG-CD1 3.94Å; M510-L546 HydrophobicContact SD-CB 3.85Å; M510-L546 HydrophobicContact SD-CD1 3.91Å; M510-L546 HydrophobicContact SD-CG 4.5Å; L546-E548 HydrophobicContact CD2-CG 3.79Å; L546-E548 HydrophobicContact CG-CG 3.86Å
547	F	93.6	Very high	85.1	Confident	34 Å²	34	73.3 Å²	73.3	15%	0.149	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	102.6	166.1	-178.7	-90	0	0	0	108.1	L415 P506 E508 Q509 I511 M545 D549	L415-F547 HydrophobicContact CD1-CD2 4.18Å; L415-F547 HydrophobicContact CD1-CE2 4.31Å; P506-F547 HydrophobicContact CG-CD1 4.23Å; P506-F547 HydrophobicContact CG-CE1 3.49Å; P506-F547 VanDerWaalsContact CG-CE1 3.49Å; P506-F547 HydrophobicContact CG-CZ 4.02Å; E508-F547 WeakPolarHBondContact CA-O 3.45Å; E508-F547 WeakPolarHBondContact CG-O 3.48Å; Q509-F547 HydrophobicContact CG-CB 4.4Å; Q509-F547 PolarHBondContact N-O 2.92Å; Q509-F547 PolarHBondContact O-N 2.93Å; I511-F547 HydrophobicContact CG1-CB 3.69Å; I511-F547 HydrophobicContact CG1-CG 4.47Å; M545-F547 PolarHBondContact O-N 2.8Å; F547-D549 HydrophobicContact CD1-CB 4.19Å; F547-D549 HydrophobicContact CE1-CB 3.92Å; F547-D549 PolarHBondContact O-N 2.81Å
548	E	94.1	Very high	86.7	Confident	110 Å²	110	70.8 Å²	70.8	51%	0.514	34%	0.34	S	S	.	.			trans	-79.5	110.3	178.8	-57.8	-167.7	128.1	0	0	110	L546 R550	L546-E548 HydrophobicContact CD2-CG 3.79Å; L546-E548 HydrophobicContact CG-CG 3.86Å; E548-R550 HydrophobicContact CB-CG 4.48Å; E548-R550 VanDerWaalsContact CD-CZ 3.48Å; E548-R550 IonicContact OE1-CZ 3.54Å; E548-R550 IonicContact OE1-NH1 3.37Å; E548-R550 PolarHBondContact OE1-NH1 3.45Å; E548-R550 IonicContact OE1-NH2 2.87Å; E548-R550 PolarHBondContact OE1-NH2 3.31Å; E548-R550 IonicContact OE2-NH1 3.36Å
549	D	96	Very high	87.9	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.329	C	S	.	.			trans	-100.9	89.2	-178.7	-164.5	-25.7	0	0	0	110.3	R505 P506 G507 E508 F547 T661	R505-D549 IonicContact CZ-OD1 2.8Å; R505-D549 IonicContact NE-OD1 3.99Å; R505-D549 PolarHBondContact NE-OD1 2.71Å; R505-D549 IonicContact NE-OD2 2.85Å; R505-D549 IonicContact NH2-OD1 3.82Å; R505-D549 PolarHBondContact NH2-OD1 2.82Å; R505-D549 IonicContact NH2-OD2 3.26Å; P506-D549 WeakPolarHBondContact CD-OD2 3.4Å; P506-D549 WeakPolarHBondContact CG-OD2 3.3Å; G507-D549 WeakPolarHBondContact CA-OD2 3.12Å; G507-D549 PolarHBondContact N-OD2 3Å; E508-D549 HydrophobicContact CB-CB 4.19Å; F547-D549 HydrophobicContact CD1-CB 4.19Å; F547-D549 HydrophobicContact CE1-CB 3.92Å; F547-D549 PolarHBondContact O-N 2.81Å; D549-T661 VanDerWaalsContact CG-OG1 3.31Å; D549-T661 PolarHBondContact O-N 2.7Å; D549-T661 WeakPolarHBondContact OD1-CB 3.43Å; D549-T661 PolarHBondContact OD1-OG1 3.38Å
550	R	95.4	Very high	88.7	Confident	59 Å²	59	66.9 Å²	66.9	22%	0.223	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	133.8	-161.4	-65.5	-173.8	-163.1	150.2	15.6	113.6	E508 E548 W622 F659 K660	E508-R550 IonicContact OE1-NH2 3.21Å; E508-R550 IonicContact OE2-CZ 3.95Å; E508-R550 IonicContact OE2-NE 3.71Å; E508-R550 PolarHBondContact OE2-NE 2.95Å; E508-R550 IonicContact OE2-NH2 3.71Å; E508-R550 PolarHBondContact OE2-NH2 3.02Å; E548-R550 HydrophobicContact CB-CG 4.48Å; E548-R550 VanDerWaalsContact CD-CZ 3.48Å; E548-R550 IonicContact OE1-CZ 3.54Å; E548-R550 IonicContact OE1-NH1 3.37Å; E548-R550 PolarHBondContact OE1-NH1 3.45Å; E548-R550 IonicContact OE1-NH2 2.87Å; E548-R550 PolarHBondContact OE1-NH2 3.31Å; E548-R550 IonicContact OE2-NH1 3.36Å; R550-W622 HydrophobicContact CB-CE3 3.89Å; R550-W622 HydrophobicContact CB-CH2 4.06Å; R550-W622 HydrophobicContact CB-CZ3 3.51Å; R550-W622 HydrophobicContact CG-CE3 4.17Å; R550-W622 HydrophobicContact CG-CH2 3.88Å; R550-W622 HydrophobicContact CG-CZ2 4.31Å; R550-W622 HydrophobicContact CG-CZ3 3.8Å; R550-F659 CarbonylContact C-O 3.34Å; R550-F659 WeakPolarHBondContact CA-O 3.35Å; R550-K660 HydrophobicContact CG-CB 4.46Å; R550-K660 HydrophobicContact CG-CG 4.44Å
551	T	95.9	Very high	89.1	Confident	41 Å²	41	65.1 Å²	65.1	25%	0.252	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.3	162.8	-50.7	0	0	0	0	108.2	H554 W622 Q658 F659	T551-H554 VanDerWaalsContact CG2-CE1 3.5Å; T551-H554 WeakPolarHBondContact CG2-CE1 3.45Å; T551-W622 WeakPolarHBondContact O-CZ3 3.36Å; T551-Q658 WeakPolarHBondContact O-CG 3.21Å; T551-F659 PolarHBondContact N-O 3.37Å; T551-F659 PolarHBondContact O-N 3.08Å; T551-F659 VanDerWaalsContact O-O 3.08Å
552	R	96.8	Very high	89	Confident	102 Å²	102	68.2 Å²	68.2	39%	0.385	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	176.9	-176.3	-66.8	-178.8	178.9	168.5	-7.9	112.2	H554 C619 V620 W622	R552-H554 PolarHBondContact O-N 3.5Å; R552-H554 PolarHBondContact O-ND1 2.86Å; R552-C619 HydrophobicContact CB-CB 4.31Å; R552-C619 WeakPolarHBondContact CD-O 3.2Å; R552-C619 PolarHBondContact NH1-O 3.27Å; R552-V620 PolarHBondContact NH1-O 3.5Å; R552-V620 VanDerWaalsContact NH1-O 3.11Å; R552-V620 PolarHBondContact NH2-O 3.4Å; R552-W622 HydrophobicContact CG-CE3 4.48Å
553	A	97.6	Very high	89	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	130	174.6	0	0	0	0	0	111.5	L607 C619 I623 V656 H657 Q658	A553-L607 HydrophobicContact CB-CD1 4.13Å; A553-C619 HydrophobicContact CB-CB 4.15Å; A553-C619 WeakPolarHBondContact O-CB 3.29Å; A553-I623 HydrophobicContact CB-CD1 3.73Å; A553-I623 HydrophobicContact CB-CG1 4.32Å; A553-V656 HydrophobicContact CB-CG1 4.1Å; A553-H657 CarbonylContact C-O 3.57Å; A553-H657 VanDerWaalsContact CA-O 3.28Å; A553-H657 WeakPolarHBondContact CA-O 3.48Å; A553-Q658 HydrophobicContact CB-CB 4.34Å
554	H	97.6	Very high	88.9	Confident	10 Å²	10	66.1 Å²	66.1	5%	0.046	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	164.6	176.4	55.9	-68.6	0	0	0	109.7	T551 R552 D556 P615 Q618 V656 H657	T551-H554 VanDerWaalsContact CG2-CE1 3.5Å; T551-H554 WeakPolarHBondContact CG2-CE1 3.45Å; R552-H554 PolarHBondContact O-N 3.5Å; R552-H554 PolarHBondContact O-ND1 2.86Å; H554-D556 IonicContact CD2-OD1 2.7Å; H554-D556 PolarHBondContact CD2-OD1 3.46Å; H554-D556 IonicContact NE2-OD1 2.73Å; H554-P615 HydrophobicContact CB-CB 4.09Å; H554-Q618 HydrophobicContact CB-CB 4.39Å; H554-Q618 HydrophobicContact CB-CG 4.41Å; H554-Q618 VanDerWaalsContact CB-OE1 3.29Å; H554-V656 CarbonylContact O-C 3.5Å; H554-V656 VanDerWaalsContact O-CA 3.27Å; H554-V656 WeakPolarHBondContact O-CA 3.45Å; H554-H657 AromaticContact CD2-NE2 3.96Å; H554-H657 AromaticContact CE1-CD2 3.91Å; H554-H657 AromaticContact CE1-NE2 3.64Å; H554-H657 PolarHBondContact N-O 3.32Å; H554-H657 PolarHBondContact ND1-O 2.98Å; H554-H657 AromaticContact NE2-CE1 3.87Å; H554-H657 AromaticContact NE2-NE2 3.33Å; H554-H657 PolarHBondContact NE2-NE2 2.74Å; H554-H657 PolarHBondContact O-N 2.95Å
555	A	95.8	Very high	88.8	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.008	32%	0.321	C	S	.	.			trans	-120.9	141.4	158.8	0	0	0	0	0	109	H557 T566 F600 Q618 V656	A555-H557 PolarHBondContact O-CE1 2.91Å; A555-H557 PolarHBondContact O-ND1 2.88Å; A555-T566 HydrophobicContact CB-CG2 4.5Å; A555-F600 HydrophobicContact CB-CE2 3.89Å; A555-Q618 PolarHBondContact O-NE2 2.89Å; A555-Q618 PolarHBondContact O-OE1 2.97Å; A555-V656 HydrophobicContact CB-CG2 4.03Å
556	D	95.1	Very high	88.9	Confident	21 Å²	21	63.1 Å²	63.1	11%	0.112	31%	0.313	C	S	.	.			trans	-77.7	141.2	-179.5	-66.6	-36.3	0	0	0	111	H554 T566 T567 A569 H657 H671	H554-D556 IonicContact CD2-OD1 2.7Å; H554-D556 PolarHBondContact CD2-OD1 3.46Å; H554-D556 IonicContact NE2-OD1 2.73Å; D556-T566 CarbonylContact O-C 3.52Å; D556-T566 VanDerWaalsContact O-CA 3.29Å; D556-T566 WeakPolarHBondContact O-CA 3.44Å; D556-T567 HydrophobicContact CB-CG2 3.85Å; D556-T567 PolarHBondContact O-N 3.45Å; D556-A569 WeakPolarHBondContact OD2-CB 3.4Å; D556-H657 IonicContact OD2-CE1 3.62Å; D556-H657 PolarHBondContact OD2-CE1 2.79Å; D556-H657 IonicContact OD2-NE2 3.59Å; D556-H671 IonicContact OD1-NE2 3.59Å
557	H	92.1	Very high	89	Confident	29 Å²	29	60 Å²	60	13%	0.134	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	145.8	-175.9	-67.8	68.7	0	0	0	111	A555 Q565 T566	A555-H557 PolarHBondContact O-CE1 2.91Å; A555-H557 PolarHBondContact O-ND1 2.88Å; H557-Q565 WeakPolarHBondContact CA-O 3.43Å; H557-Q565 WeakPolarHBondContact CB-O 3.18Å; H557-T566 WeakPolarHBondContact NE2-CG2 3.46Å
558	I	88.4	Confident	89.2	Confident	21 Å²	21	58.3 Å²	58.3	11%	0.108	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	167.9	163.2	54.3	173.8	0	0	0	109.6	R564 Q565 T567 R673	I558-R564 WeakPolarHBondContact O-CA 3.32Å; I558-Q565 PolarHBondContact N-O 3.47Å; I558-Q565 PolarHBondContact O-N 3.21Å; I558-T567 HydrophobicContact CG2-CG2 4.1Å; I558-R673 HydrophobicContact CD1-CG 3.89Å
559	G	81.3	Confident	89.4	Confident	45 Å²	45	53.4 Å²	53.4	46%	0.464	27%	0.267	S	S	.	.	S	Bend	trans	81.3	169.6	177	0	0	0	0	0	114.7	R564	G559-R564 WeakPolarHBondContact O-CG 3.32Å
560	Q	73.9	Confident	89.5	Confident	167 Å²	167	53.4 Å²	53.4	78%	0.78	27%	0.267	S	S	*	.	S	Bend	trans	-125.6	139.4	-174.6	-170.7	173	2.1	0	0	111.8	F562 E563	Q560-F562 PolarHBondContact O-N 3.38Å; Q560-F562 VanDerWaalsContact O-N 3.16Å; Q560-E563 PolarHBondContact O-N 3.25Å
561	G	74.8	Confident	89.7	Confident	39 Å²	39	50.6 Å²	50.6	40%	0.402	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	65.6	-113.8	177	0	0	0	0	0	112.3
562	F	66.6	Low	89.8	Confident	216 Å²	216	48.7 Å²	48.7	95%	0.947	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	-83.2	-20.4	-178.7	-61.4	-75.3	0	0	0	113.3	Q560 R564	Q560-F562 PolarHBondContact O-N 3.38Å; Q560-F562 VanDerWaalsContact O-N 3.16Å; F562-R564 PolarHBondContact O-N 2.98Å
563	E	75.3	Confident	89.9	Confident	155 Å²	155	43.8 Å²	43.8	72%	0.724	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-80.8	13.4	176.1	-64.2	164.5	-162.4	0	0	112.3	Q560 Q565	Q560-E563 PolarHBondContact O-N 3.25Å; E563-Q565 PolarHBondContact O-N 3.09Å
564	R	83.8	Confident	89.8	Confident	78 Å²	78	44.1 Å²	44.1	29%	0.294	23%	0.228	S	C	.	.			trans	-73.3	110.6	179.5	-95.3	-163.2	173.4	-167	4.9	111.2	I558 G559 F562 L611 H612 E613	I558-R564 WeakPolarHBondContact O-CA 3.32Å; G559-R564 WeakPolarHBondContact O-CG 3.32Å; F562-R564 PolarHBondContact O-N 2.98Å; R564-L611 PolarHBondContact NH1-O 3.1Å; R564-H612 PolarHBondContact NH1-O 3.33Å; R564-E613 PolarHBondContact NH1-O 3.32Å
565	Q	88.4	Confident	89.7	Confident	87 Å²	87	43.7 Å²	43.7	41%	0.407	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	144.4	173.6	-66.9	-178.1	-24.4	0	0	110.2	H557 I558 E563 T567	H557-Q565 WeakPolarHBondContact CA-O 3.43Å; H557-Q565 WeakPolarHBondContact CB-O 3.18Å; I558-Q565 PolarHBondContact N-O 3.47Å; I558-Q565 PolarHBondContact O-N 3.21Å; E563-Q565 PolarHBondContact O-N 3.09Å; Q565-T567 PolarHBondContact O-N 3.27Å
566	T	92.6	Very high	89.7	Confident	36 Å²	36	43.7 Å²	43.7	22%	0.221	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	133.5	172.9	53.1	0	0	0	0	110.2	A555 D556 H557 F600 R653 G654	A555-T566 HydrophobicContact CB-CG2 4.5Å; D556-T566 CarbonylContact O-C 3.52Å; D556-T566 VanDerWaalsContact O-CA 3.29Å; D556-T566 WeakPolarHBondContact O-CA 3.44Å; H557-T566 WeakPolarHBondContact NE2-CG2 3.46Å; T566-F600 HydrophobicContact CG2-CE2 4Å; T566-F600 HydrophobicContact CG2-CZ 3.76Å; T566-R653 WeakPolarHBondContact O-CB 3.39Å; T566-G654 PolarHBondContact OG1-N 2.84Å
567	T	94.8	Very high	89.3	Confident	8 Å²	8	44.8 Å²	44.8	5%	0.049	23%	0.228	C	C	.	.			trans	-109.4	166.2	-179.4	-164	0	0	0	0	111.6	D556 I558 Q565 R653 H671 I672	D556-T567 HydrophobicContact CB-CG2 3.85Å; D556-T567 PolarHBondContact O-N 3.45Å; I558-T567 HydrophobicContact CG2-CG2 4.1Å; Q565-T567 PolarHBondContact O-N 3.27Å; T567-R653 WeakPolarHBondContact O-CA 3.1Å; T567-H671 HydrophobicContact CG2-CB 3.75Å; T567-I672 PolarHBondContact OG1-O 2.97Å
568	A	97	Very high	89	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	150.1	165.8	0	0	0	0	0	110.2	F372 I651 H671 I672 L674 Y677	F372-A568 HydrophobicContact CD1-CB 4.11Å; F372-A568 HydrophobicContact CE1-CB 3.68Å; F372-A568 HydrophobicContact CZ-CB 4.31Å; A568-I651 CarbonylContact C-O 3.1Å; A568-I651 VanDerWaalsContact CA-O 3.26Å; A568-I651 WeakPolarHBondContact CA-O 3.39Å; A568-I651 WeakPolarHBondContact CB-O 3.42Å; A568-H671 CarbonylContact O-C 3.51Å; A568-H671 VanDerWaalsContact O-CA 3.32Å; A568-H671 WeakPolarHBondContact O-CA 3.43Å; A568-I672 HydrophobicContact CB-CG2 3.96Å; A568-I672 PolarHBondContact O-N 3.01Å; A568-L674 HydrophobicContact CB-CD1 3.88Å; A568-L674 HydrophobicContact CB-CG 4.48Å; A568-Y677 HydrophobicContact CB-CE2 3.99Å
569	A	97.9	Very high	88.3	Confident	7 Å²	7	45.8 Å²	45.8	6%	0.058	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.4	178.7	0	0	0	0	0	111.5	D556 I651 W670	D556-A569 WeakPolarHBondContact OD2-CB 3.4Å; A569-I651 HydrophobicContact CB-CB 4.4Å; A569-I651 PolarHBondContact N-O 2.78Å; A569-I651 PolarHBondContact O-N 3.23Å; A569-W670 WeakPolarHBondContact CA-O 3.5Å
570	V	98.7	Very high	88.2	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	144.1	177.4	-172.7	0	0	0	0	108.8	F372 L476 Y649 F650 A669 W670 I672	F372-V570 HydrophobicContact CZ-CG2 4.29Å; L476-V570 HydrophobicContact CD2-CG1 4.22Å; V570-Y649 WeakPolarHBondContact CA-O 3.4Å; V570-F650 HydrophobicContact CB-CD1 4.4Å; V570-F650 HydrophobicContact CG1-CD1 3.77Å; V570-F650 HydrophobicContact CG1-CE1 3.77Å; V570-F650 HydrophobicContact CG2-CD1 3.91Å; V570-F650 HydrophobicContact CG2-CE1 4.46Å; V570-A669 CarbonylContact O-C 3.43Å; V570-A669 WeakPolarHBondContact O-CA 3.32Å; V570-A669 VanDerWaalsContact O-CB 3.3Å; V570-A669 WeakPolarHBondContact O-CB 3.34Å; V570-W670 HydrophobicContact CB-CD2 4.33Å; V570-W670 HydrophobicContact CB-CZ2 4.12Å; V570-W670 HydrophobicContact CG1-CH2 4.42Å; V570-W670 HydrophobicContact CG1-CZ2 3.82Å; V570-W670 PolarHBondContact N-O 3.32Å; V570-W670 PolarHBondContact O-N 3.19Å; V570-I672 HydrophobicContact CG2-CG2 4.02Å
571	G	98.4	Very high	87.9	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	157.8	175.4	0	0	0	0	0	114.6	Y649 L668	G571-Y649 PolarHBondContact N-O 2.8Å; G571-Y649 WeakPolarHBondContact O-CD1 3.48Å; G571-Y649 PolarHBondContact O-N 3.02Å; G571-L668 WeakPolarHBondContact CA-O 3.42Å
572	V	98.8	Very high	87.5	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	133.8	-175.7	-172.5	0	0	0	0	109.7	A391 L394 F397 L476 I648 S667 L668 W670	A391-V572 HydrophobicContact CB-CG1 3.41Å; A391-V572 VanDerWaalsContact CB-CG1 3.41Å; L394-V572 HydrophobicContact CD1-CG1 4.1Å; F397-V572 HydrophobicContact CZ-CG1 4.08Å; L476-V572 HydrophobicContact CD1-CG2 4.06Å; L476-V572 HydrophobicContact CD2-CG2 4.06Å; V572-I648 HydrophobicContact CG1-CG1 4.31Å; V572-I648 HydrophobicContact CG2-CG1 4.35Å; V572-S667 WeakPolarHBondContact O-CA 3.37Å; V572-L668 HydrophobicContact CB-CB 4.18Å; V572-L668 HydrophobicContact CB-CD1 4.33Å; V572-L668 PolarHBondContact N-O 2.86Å; V572-L668 PolarHBondContact O-N 3.32Å; V572-W670 HydrophobicContact CG2-CH2 3.98Å; V572-W670 HydrophobicContact CG2-CZ3 4.17Å
573	L	98.4	Very high	87.5	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.6	-169.6	-57.1	-178.8	0	0	0	113.3	T589 K590 L643 D646 D647 Y649 V665 S667	L573-T589 WeakPolarHBondContact CD1-OG1 3.4Å; L573-K590 HydrophobicContact CD1-CD 4.27Å; L573-K590 HydrophobicContact CD1-CG 4.43Å; L573-K590 HydrophobicContact CD2-CD 4.21Å; L573-K590 VanDerWaalsContact CD2-CE 3.42Å; L573-L643 HydrophobicContact CD1-CB 3.56Å; L573-L643 HydrophobicContact CD1-CD1 3.97Å; L573-L643 HydrophobicContact CD1-CG 4.4Å; L573-D646 WeakPolarHBondContact O-CA 3.41Å; L573-D646 PolarHBondContact O-N 3.23Å; L573-D647 PolarHBondContact N-O 3.39Å; L573-Y649 HydrophobicContact CD1-CD1 4.13Å; L573-Y649 HydrophobicContact CD1-CE1 3.94Å; L573-Y649 HydrophobicContact CD2-CE1 3.84Å; L573-Y649 HydrophobicContact CG-CD1 4.17Å; L573-Y649 HydrophobicContact CG-CE1 3.8Å; L573-V665 HydrophobicContact CB-CG2 4.24Å; L573-V665 HydrophobicContact CD2-CG2 4.15Å; L573-S667 WeakPolarHBondContact CD2-OG 3.45Å
574	K	96.9	Very high	87.4	Confident	6 Å²	6	37.8 Å²	37.8	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.1	166.8	-53.9	-66.2	-80.6	-177.1	0	108.4	A391 L394 P395 F397 D646 V665 C666	A391-K574 HydrophobicContact CB-CD 4.47Å; A391-K574 PolarHBondContact O-NZ 3.27Å; L394-K574 HydrophobicContact CB-CD 4.49Å; L394-K574 WeakPolarHBondContact O-CE 3.31Å; L394-K574 PolarHBondContact O-NZ 3.37Å; P395-K574 VanDerWaalsContact O-CE 3.24Å; P395-K574 WeakPolarHBondContact O-CE 3.45Å; F397-K574 HydrophobicContact CD1-CG 3.87Å; F397-K574 HydrophobicContact CD2-CB 4.13Å; F397-K574 HydrophobicContact CD2-CG 3.78Å; F397-K574 HydrophobicContact CE1-CD 4.28Å; F397-K574 HydrophobicContact CE1-CG 3.55Å; F397-K574 HydrophobicContact CE2-CB 4.13Å; F397-K574 HydrophobicContact CE2-CG 3.42Å; F397-K574 VanDerWaalsContact CE2-CG 3.42Å; F397-K574 HydrophobicContact CG-CB 4.42Å; F397-K574 HydrophobicContact CG-CG 4Å; F397-K574 HydrophobicContact CZ-CB 4.47Å; F397-K574 HydrophobicContact CZ-CD 4.14Å; F397-K574 HydrophobicContact CZ-CG 3.32Å; K574-D646 WeakPolarHBondContact CD-OD1 3.27Å; K574-D646 VanDerWaalsContact CE-OD1 3.24Å; K574-D646 WeakPolarHBondContact CE-OD1 3.38Å; K574-D646 IonicContact NZ-OD1 2.75Å; K574-D646 PolarHBondContact NZ-OD1 3.3Å; K574-D646 IonicContact NZ-OD2 3.84Å; K574-V665 WeakPolarHBondContact O-CG2 3.48Å; K574-C666 PolarHBondContact N-O 3.2Å; K574-C666 PolarHBondContact O-N 2.73Å
575	A	95.6	Very high	87.2	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.008	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	139.4	172.1	0	0	0	0	0	108.9	R577 R587 T589 H645	A575-R577 PolarHBondContact O-N 3.49Å; A575-R587 HydrophobicContact CB-CB 4.42Å; A575-T589 HydrophobicContact CB-CG2 3.83Å; A575-H645 HydrophobicContact CB-CB 3.87Å; A575-H645 PolarHBondContact N-ND1 3.43Å
576	V	94.4	Very high	87	Confident	1 Å²	1	38 Å²	38	1%	0.006	24%	0.239	C	C	.	.			trans	-68.5	118.4	175.5	173.8	0	0	0	0	107.8	L398 V432 Y436 V504 C578 A664	L398-V576 HydrophobicContact CD2-CG1 4.4Å; V432-V576 HydrophobicContact CG1-CG1 3.92Å; Y436-V576 HydrophobicContact CD2-CG1 3.93Å; Y436-V576 HydrophobicContact CE2-CB 4.15Å; Y436-V576 HydrophobicContact CE2-CG1 3.82Å; Y436-V576 WeakPolarHBondContact CE2-O 3.38Å; Y436-V576 PolarHBondContact OH-O 3.32Å; V504-V576 HydrophobicContact CG1-CG2 3.88Å; V576-C578 VanDerWaalsContact CG1-SG 3.53Å; V576-A664 HydrophobicContact CB-CB 3.97Å; V576-A664 HydrophobicContact CG2-CB 4.16Å; V576-A664 PolarHBondContact N-O 3.14Å
577	R	87.8	Confident	87	Confident	44 Å²	44	39 Å²	39	17%	0.166	24%	0.239	C	C	.	.			trans	-102.1	-33.1	-179.7	-59.5	179.7	84.9	140.5	-0.6	112.9	D396 A575 G579 E580 D581 S582 T584 H645	D396-R577 PolarHBondContact OD2-N 2.98Å; D396-R577 VanDerWaalsContact OD2-N 3.11Å; A575-R577 PolarHBondContact O-N 3.49Å; R577-G579 PolarHBondContact O-N 3.2Å; R577-E580 HydrophobicContact CB-CB 4.46Å; R577-E580 PolarHBondContact O-N 3.06Å; R577-D581 PolarHBondContact NH2-O 2.77Å; R577-S582 VanDerWaalsContact NH2-CA 3.33Å; R577-S582 PolarHBondContact NH2-O 3.12Å; R577-T584 PolarHBondContact NH2-OG1 3.26Å; R577-H645 PolarHBondContact NH1-NE2 2.78Å
578	C	85.8	Confident	87.1	Confident	11 Å²	11	41.2 Å²	41.2	7%	0.074	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	12.7	-179.4	-76.3	0	0	0	0	115.6	K433 Y436 V576	K433-C578 HydrophobicContact CB-CB 4.41Å; K433-C578 HydrophobicContact CD-CB 4.43Å; K433-C578 WeakPolarHBondContact CE-O 3.35Å; K433-C578 HydrophobicContact CG-CB 4.18Å; K433-C578 PolarHBondContact NZ-O 3.17Å; Y436-C578 HydrophobicContact CD1-CB 4.26Å; Y436-C578 HydrophobicContact CD2-CB 4.45Å; Y436-C578 HydrophobicContact CG-CB 4.14Å; V576-C578 VanDerWaalsContact CG1-SG 3.53Å
579	G	73	Confident	87.1	Confident	60 Å²	60	41.2 Å²	41.2	62%	0.619	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	101.8	16.9	-170.6	0	0	0	0	0	115.7	R577	R577-G579 PolarHBondContact O-N 3.2Å
580	E	78.6	Confident	87.1	Confident	48 Å²	48	41.1 Å²	41.1	22%	0.224	25%	0.248	C	C	.	.			trans	-63.8	136.9	154.8	-72.8	-172	163.7	0	0	110	Y436 R577 T584 R587	Y436-E580 HydrophobicContact CE1-CG 4.04Å; Y436-E580 PolarHBondContact OH-OE2 3.18Å; R577-E580 HydrophobicContact CB-CB 4.46Å; R577-E580 PolarHBondContact O-N 3.06Å; E580-T584 HydrophobicContact CB-CG2 4.32Å; E580-R587 IonicContact OE1-NH2 3.75Å; E580-R587 PolarHBondContact OE1-NH2 3.33Å; E580-R587 IonicContact OE2-CZ 3.85Å; E580-R587 IonicContact OE2-NE 3.36Å; E580-R587 PolarHBondContact OE2-NE 3.12Å; E580-R587 IonicContact OE2-NH2 3.84Å; E580-R587 PolarHBondContact OE2-NH2 3.11Å
581	D	68.1	Low	87.1	Confident	126 Å²	126	42.1 Å²	42.1	67%	0.674	25%	0.253	S	S	*	.			trans	-56.7	153.8	-172.7	-52	-71.8	0	0	0	113.5	R577 D583 T584	R577-D581 PolarHBondContact NH2-O 2.77Å; D581-D583 PolarHBondContact O-N 2.63Å; D581-D583 VanDerWaalsContact O-N 3.09Å; D581-T584 PolarHBondContact O-N 3.14Å; D581-T584 PolarHBondContact O-OG1 3.38Å
582	S	67.3	Low	87.1	Confident	94 Å²	94	42.1 Å²	42.1	66%	0.657	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	-34.9	178.9	42.1	0	0	0	0	113.7	R577 T584	R577-S582 VanDerWaalsContact NH2-CA 3.33Å; R577-S582 PolarHBondContact NH2-O 3.12Å; S582-T584 VanDerWaalsContact C-N 3.3Å; S582-T584 PolarHBondContact O-N 2.95Å
583	D	65.5	Low	87.1	Confident	146 Å²	146	42.7 Å²	42.7	78%	0.781	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-1	-166.5	-55.3	8.7	0	0	0	112.7	D581	D581-D583 PolarHBondContact O-N 2.63Å; D581-D583 VanDerWaalsContact O-N 3.09Å
584	T	73	Confident	87.1	Confident	40 Å²	40	42.7 Å²	42.7	25%	0.245	26%	0.257	C	S	.	.	S	Bend	trans	-65.5	130.6	171.6	63.2	0	0	0	0	110.3	R577 E580 D581 S582	R577-T584 PolarHBondContact NH2-OG1 3.26Å; E580-T584 HydrophobicContact CB-CG2 4.32Å; D581-T584 PolarHBondContact O-N 3.14Å; D581-T584 PolarHBondContact O-OG1 3.38Å; S582-T584 VanDerWaalsContact C-N 3.3Å; S582-T584 PolarHBondContact O-N 2.95Å
585	P	79.6	Confident	87.2	Confident	108 Å²	108	42.5 Å²	42.5	70%	0.701	26%	0.256	S	S	*	.	P	Polyproline II helix	trans	-63.4	151.7	-175.1	26.4	-35.7	0	0	0	112.5	R587	P585-R587 PolarHBondContact O-N 2.95Å; P585-R587 VanDerWaalsContact O-N 3.11Å
586	A	85.5	Confident	87.3	Confident	61 Å²	61	43 Å²	43	50%	0.504	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-51.6	117.1	179.8	0	0	0	0	0	111.6	H645	A586-H645 HydrophobicContact CB-CB 4.34Å
587	R	91.7	Very high	87.5	Confident	58 Å²	58	43.4 Å²	43.4	22%	0.219	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-80.5	136.7	-177.3	-64.6	174.9	168.3	-79.8	3.8	109.9	R438 A575 E580 P585 T589 Y644 H645	R438-R587 PolarHBondContact O-NH1 3.26Å; R438-R587 PolarHBondContact O-NH2 3.37Å; A575-R587 HydrophobicContact CB-CB 4.42Å; E580-R587 IonicContact OE1-NH2 3.75Å; E580-R587 PolarHBondContact OE1-NH2 3.33Å; E580-R587 IonicContact OE2-CZ 3.85Å; E580-R587 IonicContact OE2-NE 3.36Å; E580-R587 PolarHBondContact OE2-NE 3.12Å; E580-R587 IonicContact OE2-NH2 3.84Å; E580-R587 PolarHBondContact OE2-NH2 3.11Å; P585-R587 PolarHBondContact O-N 2.95Å; P585-R587 VanDerWaalsContact O-N 3.11Å; R587-T589 PolarHBondContact O-N 3.13Å; R587-Y644 CarbonylContact O-C 3.58Å; R587-Y644 VanDerWaalsContact O-CA 3.31Å; R587-Y644 WeakPolarHBondContact O-CA 3.42Å; R587-H645 PolarHBondContact O-N 3.46Å
588	I	97	Very high	87.9	Confident	54 Å²	54	43.2 Å²	43.2	28%	0.277	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-63.3	116.7	164.7	-60.7	160.2	0	0	0	107.7	Q642 Y644 V662 S663	I588-Q642 VanDerWaalsContact CD1-OE1 3.26Å; I588-Q642 HydrophobicContact CG2-CB 4.15Å; I588-Q642 HydrophobicContact CG2-CG 4.36Å; I588-Y644 HydrophobicContact CD1-CE1 4.26Å; I588-Y644 HydrophobicContact CG1-CD1 3.88Å; I588-Y644 HydrophobicContact CG1-CE1 3.37Å; I588-V662 HydrophobicContact CG2-CB 4.46Å; I588-V662 HydrophobicContact CG2-CG2 4.5Å; I588-S663 VanDerWaalsContact O-CB 3.27Å; I588-S663 WeakPolarHBondContact O-CB 3.33Å; I588-S663 PolarHBondContact O-OG 2.84Å
589	T	97.4	Very high	88.4	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	28%	0.276	C	S	.	.			trans	-96.3	-40.8	-178.5	60.1	0	0	0	0	111.8	L573 A575 R587 L643 Y644 V662 S663 V665	L573-T589 WeakPolarHBondContact CD1-OG1 3.4Å; A575-T589 HydrophobicContact CB-CG2 3.83Å; R587-T589 PolarHBondContact O-N 3.13Å; T589-L643 PolarHBondContact N-O 2.73Å; T589-L643 PolarHBondContact OG1-O 3.01Å; T589-Y644 PolarHBondContact OG1-O 2.91Å; T589-Y644 VanDerWaalsContact OG1-O 3.04Å; T589-V662 PolarHBondContact O-N 2.75Å; T589-S663 PolarHBondContact O-N 3.04Å; T589-V665 HydrophobicContact CG2-CB 4.02Å; T589-V665 HydrophobicContact CG2-CG2 3.74Å
590	K	98.5	Very high	89.6	Confident	5 Å²	5	42.9 Å²	42.9	2%	0.022	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	144.8	179.9	-54.1	-175.9	-175.5	173.6	0	112.6	L573 V592 L643 Y649 F659 K660 S667	L573-K590 HydrophobicContact CD1-CD 4.27Å; L573-K590 HydrophobicContact CD1-CG 4.43Å; L573-K590 HydrophobicContact CD2-CD 4.21Å; L573-K590 VanDerWaalsContact CD2-CE 3.42Å; K590-V592 HydrophobicContact CB-CG2 3.93Å; K590-L643 HydrophobicContact CB-CB 4.32Å; K590-L643 PolarHBondContact N-O 2.89Å; K590-L643 VanDerWaalsContact N-O 3.13Å; K590-L643 PolarHBondContact O-N 3.26Å; K590-Y649 PolarHBondContact NZ-OH 2.76Å; K590-F659 HydrophobicContact CB-CD1 4.33Å; K590-F659 HydrophobicContact CD-CD1 3.49Å; K590-F659 VanDerWaalsContact CD-CD1 3.49Å; K590-F659 HydrophobicContact CD-CE1 3.83Å; K590-F659 HydrophobicContact CD-CG 4.32Å; K590-F659 HydrophobicContact CG-CD1 4.48Å; K590-K660 CarbonylContact C-O 3.49Å; K590-K660 VanDerWaalsContact CA-O 3.26Å; K590-K660 WeakPolarHBondContact CA-O 3.36Å; K590-S667 WeakPolarHBondContact CE-OG 3.37Å; K590-S667 PolarHBondContact NZ-OG 2.89Å
591	D	98.3	Very high	90.4	Very high	22 Å²	22	45 Å²	45	12%	0.118	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.7	167.9	173.4	20.7	0	0	0	105.6	R640 K660 V662	D591-R640 IonicContact OD1-CZ 3.21Å; D591-R640 IonicContact OD1-NE 3.21Å; D591-R640 PolarHBondContact OD1-NE 2.84Å; D591-R640 IonicContact OD1-NH2 3.01Å; D591-R640 PolarHBondContact OD1-NH2 3.44Å; D591-R640 IonicContact OD2-CZ 2.98Å; D591-R640 IonicContact OD2-NE 2.69Å; D591-R640 IonicContact OD2-NH2 3.35Å; D591-R640 PolarHBondContact OD2-NH2 3Å; D591-K660 HydrophobicContact CB-CB 4.3Å; D591-K660 PolarHBondContact N-O 3.39Å; D591-K660 WeakPolarHBondContact O-CB 3.44Å; D591-K660 PolarHBondContact O-N 2.65Å; D591-V662 HydrophobicContact CB-CG2 3.61Å
592	V	98.5	Very high	91.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	139.9	-163.1	-161.5	0	0	0	0	109.7	M384 K590 R640 I641 L643 Q658 F659	M384-V592 HydrophobicContact CE-CG1 4.27Å; K590-V592 HydrophobicContact CB-CG2 3.93Å; V592-R640 CarbonylContact O-C 3.55Å; V592-R640 WeakPolarHBondContact O-CA 3.31Å; V592-I641 HydrophobicContact CB-CB 4.32Å; V592-I641 PolarHBondContact N-O 3.06Å; V592-I641 PolarHBondContact O-N 3.46Å; V592-L643 HydrophobicContact CG2-CD1 3.75Å; V592-L643 HydrophobicContact CG2-CG 3.91Å; V592-Q658 WeakPolarHBondContact CA-O 3.31Å; V592-Q658 VanDerWaalsContact CG1-O 3.32Å; V592-Q658 WeakPolarHBondContact CG1-O 3.06Å; V592-F659 HydrophobicContact CB-CD1 4.18Å; V592-F659 HydrophobicContact CB-CE1 4.33Å; V592-F659 HydrophobicContact CG1-CD1 3.6Å; V592-F659 HydrophobicContact CG1-CE1 3.57Å; V592-F659 HydrophobicContact CG1-CG 4.29Å; V592-F659 HydrophobicContact CG1-CZ 4.25Å; V592-F659 HydrophobicContact CG2-CD1 3.62Å; V592-F659 HydrophobicContact CG2-CE1 3.75Å
593	V	98.6	Very high	93.2	Very high	12 Å²	12	37.4 Å²	37.4	7%	0.073	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	126.9	171.2	169	0	0	0	0	107.9	F595 L628 A639 R640 H657 Q658	V593-F595 HydrophobicContact CG1-CE2 3.87Å; V593-F595 HydrophobicContact CG1-CZ 3.91Å; V593-L628 HydrophobicContact CG1-CD1 4.34Å; V593-L628 HydrophobicContact CG1-CD2 3.81Å; V593-L628 HydrophobicContact CG2-CD1 4.04Å; V593-A639 WeakPolarHBondContact CA-O 3.48Å; V593-R640 HydrophobicContact CG2-CG 4.24Å; V593-H657 CarbonylContact O-C 3.12Å; V593-H657 WeakPolarHBondContact O-CA 3.02Å; V593-Q658 HydrophobicContact CB-CB 4.29Å; V593-Q658 PolarHBondContact N-O 2.65Å; V593-Q658 PolarHBondContact O-N 2.76Å
594	C	98.6	Very high	94.7	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.6	177.7	-57.4	0	0	0	0	110.2	V383 Y638 A639 V655 V656 H657	V383-C594 HydrophobicContact CB-CB 3.75Å; V383-C594 HydrophobicContact CG2-CB 3.82Å; C594-Y638 CarbonylContact O-C 3.47Å; C594-Y638 WeakPolarHBondContact O-CA 3.47Å; C594-Y638 WeakPolarHBondContact O-CB 3.33Å; C594-A639 PolarHBondContact N-O 3.29Å; C594-A639 PolarHBondContact O-N 2.81Å; C594-V655 HydrophobicContact CB-CG1 3.85Å; C594-V656 WeakPolarHBondContact CA-O 3.24Å; C594-H657 HydrophobicContact CB-CB 4.23Å
595	F	98.7	Very high	95.8	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	148.2	178.4	-63.4	-84.1	0	0	0	111.7	V383 V593 A597 V603 L607 I623 L628 L631 I636 R637 V656	V383-F595 WeakPolarHBondContact CG1-O 3.43Å; V593-F595 HydrophobicContact CG1-CE2 3.87Å; V593-F595 HydrophobicContact CG1-CZ 3.91Å; F595-A597 PolarHBondContact O-N 2.75Å; F595-V603 HydrophobicContact CB-CG1 4.19Å; F595-V603 HydrophobicContact CB-CG2 3.77Å; F595-V603 HydrophobicContact CD1-CG1 4.44Å; F595-V603 HydrophobicContact CD1-CG2 3.99Å; F595-V603 HydrophobicContact CD2-CG1 3.92Å; F595-V603 HydrophobicContact CE2-CG1 4.46Å; F595-V603 HydrophobicContact CG-CG1 3.92Å; F595-V603 HydrophobicContact CG-CG2 3.91Å; F595-L607 HydrophobicContact CE2-CD1 4.26Å; F595-I623 HydrophobicContact CE2-CD1 3.56Å; F595-I623 HydrophobicContact CZ-CD1 3.62Å; F595-L628 HydrophobicContact CE1-CD2 3.83Å; F595-L628 HydrophobicContact CZ-CD2 3.68Å; F595-L631 HydrophobicContact CE1-CD1 3.81Å; F595-L631 HydrophobicContact CZ-CD1 3.97Å; F595-I636 HydrophobicContact CD1-CG2 3.67Å; F595-I636 HydrophobicContact CE1-CG2 4.17Å; F595-R637 WeakPolarHBondContact CA-O 3.43Å; F595-V656 HydrophobicContact CB-CB 4.46Å; F595-V656 HydrophobicContact CD2-CB 4.1Å; F595-V656 HydrophobicContact CD2-CG1 3.89Å; F595-V656 WeakPolarHBondContact CD2-O 3.5Å; F595-V656 HydrophobicContact CE2-CG1 4.42Å; F595-V656 PolarHBondContact N-O 3.27Å
596	H	98.2	Very high	96.6	Very high	12 Å²	12	33.9 Å²	33.9	6%	0.056	19%	0.191	C	C	.	.			trans	-64	132.4	-179.5	-168	-76.2	0	0	0	111.4	A342 V383 G598 D599 R637	A342-H596 HydrophobicContact CB-CB 4.3Å; V383-H596 HydrophobicContact CG1-CB 4.31Å; H596-G598 VanDerWaalsContact C-N 3.32Å; H596-G598 PolarHBondContact ND1-N 3.07Å; H596-G598 VanDerWaalsContact ND1-N 3.11Å; H596-G598 PolarHBondContact O-N 2.99Å; H596-D599 WeakPolarHBondContact O-CA 3.33Å; H596-D599 WeakPolarHBondContact O-CB 3.45Å; H596-D599 PolarHBondContact O-N 3.2Å; H596-R637 HydrophobicContact CB-CB 3.79Å; H596-R637 PolarHBondContact CD2-NH1 2.76Å; H596-R637 PolarHBondContact CE1-NH1 2.91Å; H596-R637 VanDerWaalsContact CE1-NH1 3.31Å; H596-R637 VanDerWaalsContact CG-CZ 3.47Å; H596-R637 PolarHBondContact N-O 2.95Å; H596-R637 VanDerWaalsContact N-O 3.1Å; H596-R637 PolarHBondContact ND1-NH2 2.83Å; H596-R637 PolarHBondContact NE2-NH1 3Å; H596-R637 VanDerWaalsContact NE2-NH1 3.17Å
597	A	97.6	Very high	97.1	Very high	9 Å²	9	31.5 Å²	31.5	7%	0.074	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-60.6	-39.3	-175	0	0	0	0	0	112.7	A380 F595 D599 F600 V655	A380-A597 HydrophobicContact CB-CB 3.84Å; F595-A597 PolarHBondContact O-N 2.75Å; A597-D599 PolarHBondContact O-N 3.36Å; A597-F600 WeakPolarHBondContact O-CB 3.47Å; A597-F600 PolarHBondContact O-N 3.19Å; A597-V655 HydrophobicContact CB-CG2 4.21Å
598	G	96.3	Very high	97.3	Very high	41 Å²	41	36.8 Å²	36.8	42%	0.423	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-60.5	-11.5	171	0	0	0	0	0	115.8	H596	H596-G598 VanDerWaalsContact C-N 3.32Å; H596-G598 PolarHBondContact ND1-N 3.07Å; H596-G598 VanDerWaalsContact ND1-N 3.11Å; H596-G598 PolarHBondContact O-N 2.99Å
599	D	97.1	Very high	97.2	Very high	23 Å²	23	34.9 Å²	34.9	12%	0.123	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-103.9	4.2	175.4	-54.6	-13.5	0	0	0	111.9	H596 A597 D602 V603 R637	H596-D599 WeakPolarHBondContact O-CA 3.33Å; H596-D599 WeakPolarHBondContact O-CB 3.45Å; H596-D599 PolarHBondContact O-N 3.2Å; A597-D599 PolarHBondContact O-N 3.36Å; D599-D602 PolarHBondContact O-N 3.38Å; D599-V603 HydrophobicContact CB-CG2 4.33Å; D599-V603 WeakPolarHBondContact O-CG2 3.28Å; D599-V603 PolarHBondContact O-N 2.97Å; D599-R637 IonicContact OD1-CZ 3.43Å; D599-R637 IonicContact OD1-NE 3.65Å; D599-R637 PolarHBondContact OD1-NE 2.76Å; D599-R637 IonicContact OD1-NH2 3.1Å; D599-R637 PolarHBondContact OD1-NH2 3.39Å; D599-R637 WeakPolarHBondContact OD2-CA 3.4Å; D599-R637 VanDerWaalsContact OD2-CB 3.23Å; D599-R637 WeakPolarHBondContact OD2-CB 3.47Å; D599-R637 WeakPolarHBondContact OD2-CG 3.43Å; D599-R637 IonicContact OD2-CZ 3.79Å; D599-R637 PolarHBondContact OD2-N 3.11Å; D599-R637 IonicContact OD2-NE 2.89Å; D599-R637 PolarHBondContact OD2-NE 2.72Å; D599-R637 IonicContact OD2-NH2 3.95Å
600	F	96.8	Very high	97	Very high	41 Å²	41	38.5 Å²	38.5	18%	0.18	21%	0.207	C	C	.	.	H	α-helix	trans	-50.1	-47.2	-174	173.8	-98	0	0	0	114.8	A555 T566 A597 D602 V603 V604 L611 G654 V656	A555-F600 HydrophobicContact CB-CE2 3.89Å; T566-F600 HydrophobicContact CG2-CE2 4Å; T566-F600 HydrophobicContact CG2-CZ 3.76Å; A597-F600 WeakPolarHBondContact O-CB 3.47Å; A597-F600 PolarHBondContact O-N 3.19Å; F600-D602 VanDerWaalsContact C-N 3.34Å; F600-D602 PolarHBondContact O-N 3.01Å; F600-V603 PolarHBondContact O-N 3.43Å; F600-V604 HydrophobicContact CD1-CG2 4.27Å; F600-V604 HydrophobicContact CD2-CG2 4.1Å; F600-V604 HydrophobicContact CE1-CG2 4.01Å; F600-V604 HydrophobicContact CE2-CG2 3.83Å; F600-V604 HydrophobicContact CG-CG2 4.32Å; F600-V604 HydrophobicContact CZ-CG2 3.79Å; F600-V604 WeakPolarHBondContact O-CB 3.38Å; F600-V604 VanDerWaalsContact O-CG2 3.29Å; F600-V604 WeakPolarHBondContact O-CG2 3.41Å; F600-V604 PolarHBondContact O-N 3Å; F600-L611 HydrophobicContact CE1-CD1 4.19Å; F600-L611 HydrophobicContact CZ-CD1 3.7Å; F600-G654 WeakPolarHBondContact CD2-O 3.13Å; F600-V656 HydrophobicContact CD2-CG2 3.78Å; F600-V656 HydrophobicContact CE2-CG2 3.94Å
601	P	95.7	Very high	96.7	Very high	91 Å²	91	40.1 Å²	40.1	59%	0.591	22%	0.215	S	C	*	.	H	α-helix	trans	-62.9	-39.5	-178.5	-22.1	34.5	0	0	0	112.9	M605	P601-M605 WeakPolarHBondContact O-CB 3.29Å; P601-M605 PolarHBondContact O-N 2.82Å
602	D	97.3	Very high	96.3	Very high	60 Å²	60	45.4 Å²	45.4	32%	0.321	24%	0.239	S	C	.	.	H	α-helix	trans	-68.9	-40.9	175.3	-95.3	-54.1	0	0	0	111.3	D599 F600 M605 R606 I636	D599-D602 PolarHBondContact O-N 3.38Å; F600-D602 VanDerWaalsContact C-N 3.34Å; F600-D602 PolarHBondContact O-N 3.01Å; D602-M605 PolarHBondContact O-N 3.39Å; D602-M605 WeakPolarHBondContact OD1-CE 3.45Å; D602-R606 VanDerWaalsContact O-CB 3.27Å; D602-R606 WeakPolarHBondContact O-CB 3.48Å; D602-R606 WeakPolarHBondContact O-CG 3.35Å; D602-R606 PolarHBondContact O-N 2.95Å; D602-R606 IonicContact OD1-CZ 3.47Å; D602-R606 IonicContact OD1-NE 2.83Å; D602-R606 IonicContact OD1-NH2 2.75Å; D602-R606 PolarHBondContact OD1-NH2 2.81Å; D602-I636 HydrophobicContact CB-CD1 4.14Å; D602-I636 HydrophobicContact CB-CG1 4.15Å
603	V	97.6	Very high	95.9	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.006	26%	0.258	C	S	.	.	H	α-helix	trans	-61.6	-47.4	176.6	175.7	0	0	0	0	111.1	F595 D599 F600 M605 R606 L607 I636 V656	F595-V603 HydrophobicContact CB-CG1 4.19Å; F595-V603 HydrophobicContact CB-CG2 3.77Å; F595-V603 HydrophobicContact CD1-CG1 4.44Å; F595-V603 HydrophobicContact CD1-CG2 3.99Å; F595-V603 HydrophobicContact CD2-CG1 3.92Å; F595-V603 HydrophobicContact CE2-CG1 4.46Å; F595-V603 HydrophobicContact CG-CG1 3.92Å; F595-V603 HydrophobicContact CG-CG2 3.91Å; D599-V603 HydrophobicContact CB-CG2 4.33Å; D599-V603 WeakPolarHBondContact O-CG2 3.28Å; D599-V603 PolarHBondContact O-N 2.97Å; F600-V603 PolarHBondContact O-N 3.43Å; V603-M605 PolarHBondContact O-N 3.28Å; V603-R606 PolarHBondContact O-N 3.24Å; V603-L607 HydrophobicContact CG1-CD1 3.58Å; V603-L607 HydrophobicContact CG1-CG 4.33Å; V603-L607 VanDerWaalsContact O-CB 3.28Å; V603-L607 WeakPolarHBondContact O-CB 3.45Å; V603-L607 WeakPolarHBondContact O-CG 3.19Å; V603-L607 PolarHBondContact O-N 3.45Å; V603-I636 HydrophobicContact CG2-CD1 4.35Å; V603-I636 HydrophobicContact CG2-CG1 4.45Å; V603-I636 HydrophobicContact CG2-CG2 3.63Å; V603-V656 HydrophobicContact CG1-CB 3.81Å; V603-V656 HydrophobicContact CG1-CG1 3.83Å; V603-V656 HydrophobicContact CG1-CG2 3.88Å
604	V	96.4	Very high	95.3	Very high	28 Å²	28	52 Å²	52	17%	0.17	28%	0.275	C	S	.	.	H	α-helix	trans	-55.9	-49.8	175.4	168.3	0	0	0	0	110.9	F600 Q608 L609 L611	F600-V604 HydrophobicContact CD1-CG2 4.27Å; F600-V604 HydrophobicContact CD2-CG2 4.1Å; F600-V604 HydrophobicContact CE1-CG2 4.01Å; F600-V604 HydrophobicContact CE2-CG2 3.83Å; F600-V604 HydrophobicContact CG-CG2 4.32Å; F600-V604 HydrophobicContact CZ-CG2 3.79Å; F600-V604 WeakPolarHBondContact O-CB 3.38Å; F600-V604 VanDerWaalsContact O-CG2 3.29Å; F600-V604 WeakPolarHBondContact O-CG2 3.41Å; F600-V604 PolarHBondContact O-N 3Å; V604-Q608 WeakPolarHBondContact O-CA 3.27Å; V604-Q608 PolarHBondContact O-N 3.24Å; V604-L609 HydrophobicContact CG1-CB 4.31Å; V604-L609 HydrophobicContact CG2-CD1 4.12Å; V604-L609 PolarHBondContact O-N 2.86Å; V604-L611 HydrophobicContact CG1-CD1 4.25Å; V604-L611 HydrophobicContact CG1-CG 4.37Å; V604-L611 HydrophobicContact CG2-CD1 4.1Å; V604-L611 HydrophobicContact CG2-CD2 4.21Å; V604-L611 HydrophobicContact CG2-CG 4.5Å
605	M	96.6	Very high	94.8	Very high	112 Å²	112	54.2 Å²	54.2	55%	0.552	29%	0.289	S	S	*	.	H	α-helix	trans	-63.6	-46.7	178.6	174.1	176.3	45.8	0	0	113.1	P601 D602 V603 Q608	P601-M605 WeakPolarHBondContact O-CB 3.29Å; P601-M605 PolarHBondContact O-N 2.82Å; D602-M605 PolarHBondContact O-N 3.39Å; D602-M605 WeakPolarHBondContact OD1-CE 3.45Å; V603-M605 PolarHBondContact O-N 3.28Å; M605-Q608 PolarHBondContact O-N 3.02Å
606	R	96.2	Very high	94.1	Very high	81 Å²	81	60.6 Å²	60.6	31%	0.306	32%	0.323	S	S	.	.	H	α-helix	trans	-82.7	-13.2	-171.4	-58.2	-73.1	175.5	64.7	18.3	114	D602 V603 K627 L631 E634 I636	D602-R606 VanDerWaalsContact O-CB 3.27Å; D602-R606 WeakPolarHBondContact O-CB 3.48Å; D602-R606 WeakPolarHBondContact O-CG 3.35Å; D602-R606 PolarHBondContact O-N 2.95Å; D602-R606 IonicContact OD1-CZ 3.47Å; D602-R606 IonicContact OD1-NE 2.83Å; D602-R606 IonicContact OD1-NH2 2.75Å; D602-R606 PolarHBondContact OD1-NH2 2.81Å; V603-R606 PolarHBondContact O-N 3.24Å; R606-K627 PolarHBondContact O-NZ 3.46Å; R606-L631 HydrophobicContact CB-CD2 3.71Å; R606-E634 WeakPolarHBondContact CD-OE2 3.24Å; R606-E634 IonicContact CZ-OE2 3.62Å; R606-E634 IonicContact NE-OE2 2.67Å; R606-E634 VanDerWaalsContact NH1-CB 3.27Å; R606-E634 IonicContact NH1-OE2 3.69Å; R606-E634 PolarHBondContact NH1-OE2 2.9Å; R606-I636 HydrophobicContact CB-CD1 4.37Å; R606-I636 HydrophobicContact CG-CD1 4.12Å
607	L	96.4	Very high	93.7	Very high	10 Å²	10	62.2 Å²	62.2	5%	0.052	34%	0.335	C	S	.	.	H	α-helix	trans	-102.6	-9.9	169.5	-63.6	178.6	0	0	0	113.3	A553 F595 V603 L609 I623 L631 V656	A553-L607 HydrophobicContact CB-CD1 4.13Å; F595-L607 HydrophobicContact CE2-CD1 4.26Å; V603-L607 HydrophobicContact CG1-CD1 3.58Å; V603-L607 HydrophobicContact CG1-CG 4.33Å; V603-L607 VanDerWaalsContact O-CB 3.28Å; V603-L607 WeakPolarHBondContact O-CB 3.45Å; V603-L607 WeakPolarHBondContact O-CG 3.19Å; V603-L607 PolarHBondContact O-N 3.45Å; L607-L609 HydrophobicContact CB-CD2 3.82Å; L607-L609 HydrophobicContact CB-CG 3.94Å; L607-L609 HydrophobicContact CD1-CD1 4.49Å; L607-L609 HydrophobicContact CD1-CD2 4.34Å; L607-I623 HydrophobicContact CD1-CD1 3.58Å; L607-I623 HydrophobicContact CD2-CD1 3.66Å; L607-I623 HydrophobicContact CD2-CG1 4.01Å; L607-I623 HydrophobicContact CG-CD1 4.29Å; L607-L631 HydrophobicContact CD2-CD1 4.12Å; L607-V656 HydrophobicContact CD1-CG1 4.37Å
608	Q	95.6	Very high	93.5	Very high	169 Å²	169	62 Å²	62	79%	0.79	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	53.2	-174.7	-58.3	174.6	-2.1	0	0	111.2	V604 M605	V604-Q608 WeakPolarHBondContact O-CA 3.27Å; V604-Q608 PolarHBondContact O-N 3.24Å; M605-Q608 PolarHBondContact O-N 3.02Å
609	L	95.3	Very high	93.4	Very high	14 Å²	14	60 Å²	60	7%	0.073	31%	0.312	C	S	.	.			trans	-75.4	125	177.1	-56.2	-175.8	0	0	0	110.4	V604 L607 L611 Q618 C619 V656	V604-L609 HydrophobicContact CG1-CB 4.31Å; V604-L609 HydrophobicContact CG2-CD1 4.12Å; V604-L609 PolarHBondContact O-N 2.86Å; L607-L609 HydrophobicContact CB-CD2 3.82Å; L607-L609 HydrophobicContact CB-CG 3.94Å; L607-L609 HydrophobicContact CD1-CD1 4.49Å; L607-L609 HydrophobicContact CD1-CD2 4.34Å; L609-L611 HydrophobicContact CB-CD2 4.07Å; L609-Q618 WeakPolarHBondContact CA-O 3.48Å; L609-C619 HydrophobicContact CD2-CB 3.47Å; L609-C619 VanDerWaalsContact CD2-CB 3.47Å; L609-V656 HydrophobicContact CD1-CB 4.47Å; L609-V656 HydrophobicContact CD1-CG1 3.83Å; L609-V656 HydrophobicContact CD1-CG2 3.7Å
610	D	93.4	Very high	93.1	Very high	76 Å²	76	64.7 Å²	64.7	41%	0.406	34%	0.341	S	S	.	.			trans	-87.6	107.4	165.6	-168.6	-35.3	0	0	0	108.8	H612 E613 Q618	D610-H612 VanDerWaalsContact C-N 3.26Å; D610-H612 PolarHBondContact O-N 3.48Å; D610-H612 WeakPolarHBondContact OD1-CA 3.32Å; D610-H612 WeakPolarHBondContact OD1-CB 3.36Å; D610-H612 IonicContact OD1-CD2 2.82Å; D610-H612 IonicContact OD1-CG 2.64Å; D610-H612 PolarHBondContact OD1-N 2.83Å; D610-E613 HydrophobicContact CB-CB 4.3Å; D610-E613 HydrophobicContact CB-CG 4.04Å; D610-E613 PolarHBondContact O-N 2.83Å; D610-E613 PolarHBondContact OD1-N 2.79Å; D610-Q618 PolarHBondContact N-O 3.3Å; D610-Q618 WeakPolarHBondContact O-CA 3.38Å; D610-Q618 WeakPolarHBondContact O-CB 3.41Å; D610-Q618 VanDerWaalsContact O-CG 3.3Å; D610-Q618 WeakPolarHBondContact O-CG 3.48Å
611	L	91.9	Very high	92.9	Very high	39 Å²	39	66.9 Å²	66.9	20%	0.204	35%	0.352	C	S	.	.	S	Bend	trans	-79.8	-3.9	-178.2	-57.1	-176	0	0	0	113.5	R564 F600 V604 L609	R564-L611 PolarHBondContact NH1-O 3.1Å; F600-L611 HydrophobicContact CE1-CD1 4.19Å; F600-L611 HydrophobicContact CZ-CD1 3.7Å; V604-L611 HydrophobicContact CG1-CD1 4.25Å; V604-L611 HydrophobicContact CG1-CG 4.37Å; V604-L611 HydrophobicContact CG2-CD1 4.1Å; V604-L611 HydrophobicContact CG2-CD2 4.21Å; V604-L611 HydrophobicContact CG2-CG 4.5Å; L609-L611 HydrophobicContact CB-CD2 4.07Å
612	H	88.7	Confident	93	Very high	133 Å²	133	65.9 Å²	65.9	62%	0.616	34%	0.337	S	S	*	.	S	Bend	trans	-90.6	-23	172.2	-56.9	-68	0	0	0	112.1	R564 D610	R564-H612 PolarHBondContact NH1-O 3.33Å; D610-H612 VanDerWaalsContact C-N 3.26Å; D610-H612 PolarHBondContact O-N 3.48Å; D610-H612 WeakPolarHBondContact OD1-CA 3.32Å; D610-H612 WeakPolarHBondContact OD1-CB 3.36Å; D610-H612 IonicContact OD1-CD2 2.82Å; D610-H612 IonicContact OD1-CG 2.64Å; D610-H612 PolarHBondContact OD1-N 2.83Å
613	E	90.6	Very high	93	Very high	87 Å²	87	63.2 Å²	63.2	41%	0.407	32%	0.322	S	S	.	.	S	Bend	trans	-67.2	156	168.7	-75.8	-73.3	133.7	0	0	112	R564 D610 S617 Q618	R564-E613 PolarHBondContact NH1-O 3.32Å; D610-E613 HydrophobicContact CB-CB 4.3Å; D610-E613 HydrophobicContact CB-CG 4.04Å; D610-E613 PolarHBondContact O-N 2.83Å; D610-E613 PolarHBondContact OD1-N 2.79Å; E613-S617 WeakPolarHBondContact OE2-CB 3.5Å; E613-S617 PolarHBondContact OE2-OG 3.49Å; E613-Q618 HydrophobicContact CB-CG 4.42Å; E613-Q618 WeakPolarHBondContact O-CG 3.43Å
614	P	86.9	Confident	92.9	Very high	65 Å²	65	66.9 Å²	66.9	42%	0.422	34%	0.342	S	S	.	.			trans	-71.8	159	168.5	30.8	-35.4	0	0	0	111.7	L616 S617 Q618	P614-L616 PolarHBondContact O-N 3.2Å; P614-S617 WeakPolarHBondContact CD-OG 3.5Å; P614-S617 PolarHBondContact O-N 3.2Å; P614-S617 PolarHBondContact O-OG 3.12Å; P614-Q618 WeakPolarHBondContact O-CG 3.34Å; P614-Q618 PolarHBondContact O-N 2.81Å
615	P	86.8	Confident	93	Very high	45 Å²	45	69.3 Å²	69.3	29%	0.292	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-41.3	-37.3	-178.6	-39.2	40.2	0	0	0	117.5	H554 S617	H554-P615 HydrophobicContact CB-CB 4.09Å; P615-S617 VanDerWaalsContact C-N 3.25Å; P615-S617 PolarHBondContact O-N 2.82Å
616	L	85.6	Confident	93	Very high	136 Å²	136	67.1 Å²	67.1	71%	0.712	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-16.9	-178.6	-65.2	175.4	0	0	0	114.4	P614	P614-L616 PolarHBondContact O-N 3.2Å
617	S	89.1	Confident	93.1	Very high	45 Å²	45	64.3 Å²	64.3	32%	0.315	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.8	-10.3	-177.3	36	0	0	0	0	115.4	E613 P614 P615 C619	E613-S617 WeakPolarHBondContact OE2-CB 3.5Å; E613-S617 PolarHBondContact OE2-OG 3.49Å; P614-S617 WeakPolarHBondContact CD-OG 3.5Å; P614-S617 PolarHBondContact O-N 3.2Å; P614-S617 PolarHBondContact O-OG 3.12Å; P615-S617 VanDerWaalsContact C-N 3.25Å; P615-S617 PolarHBondContact O-N 2.82Å; S617-C619 PolarHBondContact O-N 2.89Å; S617-C619 VanDerWaalsContact O-N 3.11Å
618	Q	92.8	Very high	93.2	Very high	4 Å²	4	63.9 Å²	63.9	2%	0.019	34%	0.342	C	S	.	.	S	Bend	trans	-48.6	-41.5	177.2	-63	-170.6	-4.8	0	0	113.2	H554 A555 L609 D610 E613 P614	H554-Q618 HydrophobicContact CB-CB 4.39Å; H554-Q618 HydrophobicContact CB-CG 4.41Å; H554-Q618 VanDerWaalsContact CB-OE1 3.29Å; A555-Q618 PolarHBondContact O-NE2 2.89Å; A555-Q618 PolarHBondContact O-OE1 2.97Å; L609-Q618 WeakPolarHBondContact CA-O 3.48Å; D610-Q618 PolarHBondContact N-O 3.3Å; D610-Q618 WeakPolarHBondContact O-CA 3.38Å; D610-Q618 WeakPolarHBondContact O-CB 3.41Å; D610-Q618 VanDerWaalsContact O-CG 3.3Å; D610-Q618 WeakPolarHBondContact O-CG 3.48Å; E613-Q618 HydrophobicContact CB-CG 4.42Å; E613-Q618 WeakPolarHBondContact O-CG 3.43Å; P614-Q618 WeakPolarHBondContact O-CG 3.34Å; P614-Q618 PolarHBondContact O-N 2.81Å
619	C	95.5	Very high	93.3	Very high	1 Å²	1	59 Å²	59	1%	0.007	32%	0.321	C	S	.	.			trans	-113	133.3	175.1	-163.5	0	0	0	0	113.4	R552 A553 L609 S617 Q621	R552-C619 HydrophobicContact CB-CB 4.31Å; R552-C619 WeakPolarHBondContact CD-O 3.2Å; R552-C619 PolarHBondContact NH1-O 3.27Å; A553-C619 HydrophobicContact CB-CB 4.15Å; A553-C619 WeakPolarHBondContact O-CB 3.29Å; L609-C619 HydrophobicContact CD2-CB 3.47Å; L609-C619 VanDerWaalsContact CD2-CB 3.47Å; S617-C619 PolarHBondContact O-N 2.89Å; S617-C619 VanDerWaalsContact O-N 3.11Å; C619-Q621 PolarHBondContact SG-N 2.93Å; C619-Q621 VanDerWaalsContact SG-N 3.44Å; C619-Q621 PolarHBondContact SG-O 2.96Å
620	V	90.4	Very high	93.4	Very high	120 Å²	120	62.2 Å²	62.2	73%	0.727	34%	0.336	S	S	*	.	S	Bend	trans	-83.3	-26.8	174	-174.5	0	0	0	0	112.1	R552	R552-V620 PolarHBondContact NH1-O 3.5Å; R552-V620 VanDerWaalsContact NH1-O 3.11Å; R552-V620 PolarHBondContact NH2-O 3.4Å
621	Q	92.9	Very high	93.6	Very high	88 Å²	88	58.6 Å²	58.6	41%	0.411	32%	0.316	S	S	.	.	S	Bend	trans	-92.7	149.7	-175.5	177.7	164.2	3.4	0	0	112.3	C619	C619-Q621 PolarHBondContact SG-N 2.93Å; C619-Q621 VanDerWaalsContact SG-N 3.44Å; C619-Q621 PolarHBondContact SG-O 2.96Å
622	W	96.2	Very high	93.9	Very high	70 Å²	70	61.2 Å²	61.2	27%	0.265	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-92.3	124.8	156.8	176.9	-95.5	0	0	0	108.5	R550 T551 R552 Q658 K660	R550-W622 HydrophobicContact CB-CE3 3.89Å; R550-W622 HydrophobicContact CB-CH2 4.06Å; R550-W622 HydrophobicContact CB-CZ3 3.51Å; R550-W622 HydrophobicContact CG-CE3 4.17Å; R550-W622 HydrophobicContact CG-CH2 3.88Å; R550-W622 HydrophobicContact CG-CZ2 4.31Å; R550-W622 HydrophobicContact CG-CZ3 3.8Å; T551-W622 WeakPolarHBondContact O-CZ3 3.36Å; R552-W622 HydrophobicContact CG-CE3 4.48Å; W622-Q658 HydrophobicContact CE3-CG 4.21Å; W622-Q658 HydrophobicContact CH2-CG 3.66Å; W622-Q658 HydrophobicContact CZ2-CG 4.45Å; W622-Q658 HydrophobicContact CZ3-CG 3.52Å; W622-K660 HydrophobicContact CH2-CB 3.88Å; W622-K660 HydrophobicContact CZ2-CB 4.17Å
623	I	97.4	Very high	94.3	Very high	4 Å²	4	64.4 Å²	64.4	2%	0.021	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-81.3	129.8	176.9	-40.3	179.4	0	0	0	108.3	A553 F595 L607 K627 L628 Q658	A553-I623 HydrophobicContact CB-CD1 3.73Å; A553-I623 HydrophobicContact CB-CG1 4.32Å; F595-I623 HydrophobicContact CE2-CD1 3.56Å; F595-I623 HydrophobicContact CZ-CD1 3.62Å; L607-I623 HydrophobicContact CD1-CD1 3.58Å; L607-I623 HydrophobicContact CD2-CD1 3.66Å; L607-I623 HydrophobicContact CD2-CG1 4.01Å; L607-I623 HydrophobicContact CG-CD1 4.29Å; I623-K627 HydrophobicContact CG2-CB 3.84Å; I623-K627 HydrophobicContact CG2-CG 3.7Å; I623-L628 HydrophobicContact CG2-CD2 3.92Å; I623-L628 HydrophobicContact CG2-CG 3.92Å; I623-Q658 VanDerWaalsContact CB-OE1 3.26Å; I623-Q658 VanDerWaalsContact N-NE2 3.19Å; I623-Q658 PolarHBondContact O-NE2 3.32Å
624	D	96.7	Very high	94.6	Very high	78 Å²	78	63.4 Å²	63.4	42%	0.417	33%	0.325	S	S	.	.			trans	-116.5	175	175.3	67.2	-8.2	0	0	0	111	A626 K627 L628	D624-A626 PolarHBondContact O-N 3.03Å; D624-A626 VanDerWaalsContact O-N 3.11Å; D624-A626 PolarHBondContact OD1-N 2.94Å; D624-K627 PolarHBondContact O-N 2.83Å; D624-K627 VanDerWaalsContact O-N 3.13Å; D624-K627 WeakPolarHBondContact OD1-CB 3.41Å; D624-K627 PolarHBondContact OD1-N 3.2Å; D624-L628 WeakPolarHBondContact O-CG 3.36Å; D624-L628 PolarHBondContact O-N 2.82Å
625	D	97.1	Very high	95.1	Very high	79 Å²	79	62.6 Å²	62.6	42%	0.422	33%	0.328	S	S	.	.	H	α-helix	trans	-58.6	-25.6	178	-65.8	-56.9	0	0	0	112.5	N629 R640	D625-N629 WeakPolarHBondContact O-CB 3.33Å; D625-N629 PolarHBondContact O-N 2.93Å; D625-N629 PolarHBondContact O-ND2 3.32Å; D625-R640 IonicContact OD1-CZ 3.12Å; D625-R640 IonicContact OD1-NH1 2.68Å; D625-R640 PolarHBondContact OD1-NH1 2.72Å; D625-R640 IonicContact OD2-CZ 2.76Å; D625-R640 IonicContact OD2-NH1 3.87Å; D625-R640 PolarHBondContact OD2-NH1 3.42Å
626	A	97.6	Very high	95.6	Very high	66 Å²	66	60.6 Å²	60.6	55%	0.545	32%	0.315	S	S	.	.	H	α-helix	trans	-70.7	-46	175.3	0	0	0	0	0	112.2	D624 N629 Q630	D624-A626 PolarHBondContact O-N 3.03Å; D624-A626 VanDerWaalsContact O-N 3.11Å; D624-A626 PolarHBondContact OD1-N 2.94Å; A626-N629 PolarHBondContact O-N 3.3Å; A626-Q630 PolarHBondContact O-N 2.97Å
627	K	97.8	Very high	96.2	Very high	21 Å²	21	57.8 Å²	57.8	9%	0.091	30%	0.295	C	S	.	.	H	α-helix	trans	-69.3	-35.4	174.6	179.3	60.6	172.3	172.1	0	111.8	R606 I623 D624 Q630 L631	R606-K627 PolarHBondContact O-NZ 3.46Å; I623-K627 HydrophobicContact CG2-CB 3.84Å; I623-K627 HydrophobicContact CG2-CG 3.7Å; D624-K627 PolarHBondContact O-N 2.83Å; D624-K627 VanDerWaalsContact O-N 3.13Å; D624-K627 WeakPolarHBondContact OD1-CB 3.41Å; D624-K627 PolarHBondContact OD1-N 3.2Å; K627-Q630 WeakPolarHBondContact O-CB 3.47Å; K627-Q630 PolarHBondContact O-N 3.41Å; K627-Q630 VanDerWaalsContact O-N 3.14Å; K627-L631 HydrophobicContact CD-CD1 4.38Å; K627-L631 HydrophobicContact CD-CG 4.2Å; K627-L631 HydrophobicContact CG-CD1 4.13Å; K627-L631 HydrophobicContact CG-CG 4.43Å; K627-L631 VanDerWaalsContact O-CG 3.31Å; K627-L631 WeakPolarHBondContact O-CG 3.35Å; K627-L631 PolarHBondContact O-N 3.34Å
628	L	98.3	Very high	96.7	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.01	28%	0.281	C	S	.	.	H	α-helix	trans	-60.7	-47.2	171.6	-72.1	176.3	0	0	0	112	V593 F595 I623 D624 Q630 L631 R632 Y638	V593-L628 HydrophobicContact CG1-CD1 4.34Å; V593-L628 HydrophobicContact CG1-CD2 3.81Å; V593-L628 HydrophobicContact CG2-CD1 4.04Å; F595-L628 HydrophobicContact CE1-CD2 3.83Å; F595-L628 HydrophobicContact CZ-CD2 3.68Å; I623-L628 HydrophobicContact CG2-CD2 3.92Å; I623-L628 HydrophobicContact CG2-CG 3.92Å; D624-L628 WeakPolarHBondContact O-CG 3.36Å; D624-L628 PolarHBondContact O-N 2.82Å; L628-Q630 PolarHBondContact O-N 2.92Å; L628-L631 PolarHBondContact O-N 3.41Å; L628-R632 WeakPolarHBondContact O-CB 3.22Å; L628-R632 PolarHBondContact O-N 2.75Å; L628-Y638 HydrophobicContact CB-CE1 3.94Å; L628-Y638 HydrophobicContact CB-CE2 4.3Å; L628-Y638 HydrophobicContact CD1-CD2 4.24Å; L628-Y638 HydrophobicContact CD1-CE2 3.85Å; L628-Y638 HydrophobicContact CD2-CD1 4.05Å; L628-Y638 HydrophobicContact CD2-CD2 4Å; L628-Y638 HydrophobicContact CD2-CE1 4.24Å; L628-Y638 HydrophobicContact CD2-CE2 4.23Å; L628-Y638 HydrophobicContact CD2-CG 3.93Å; L628-Y638 HydrophobicContact CG-CE2 4.36Å
629	N	98.1	Very high	97	Very high	66 Å²	66	55.7 Å²	55.7	35%	0.353	28%	0.28	S	S	.	.	H	α-helix	trans	-65.9	-22.6	174.2	-80.6	-69.3	0	0	0	113.2	D625 A626 R633	D625-N629 WeakPolarHBondContact O-CB 3.33Å; D625-N629 PolarHBondContact O-N 2.93Å; D625-N629 PolarHBondContact O-ND2 3.32Å; A626-N629 PolarHBondContact O-N 3.3Å; N629-R633 WeakPolarHBondContact O-CG 3.17Å; N629-R633 VanDerWaalsContact O-CZ 3.26Å; N629-R633 PolarHBondContact O-NH1 3.48Å
630	Q	97.8	Very high	97.1	Very high	82 Å²	82	60 Å²	60	38%	0.383	30%	0.297	S	S	.	.	H	α-helix	trans	-69.8	-59.6	167.3	-177.9	-166.5	-22.8	0	0	110.2	A626 K627 L628 R632 R633 E634	A626-Q630 PolarHBondContact O-N 2.97Å; K627-Q630 WeakPolarHBondContact O-CB 3.47Å; K627-Q630 PolarHBondContact O-N 3.41Å; K627-Q630 VanDerWaalsContact O-N 3.14Å; L628-Q630 PolarHBondContact O-N 2.92Å; Q630-R632 PolarHBondContact O-N 3.08Å; Q630-R632 VanDerWaalsContact O-N 3.16Å; Q630-R633 WeakPolarHBondContact O-CB 3.27Å; Q630-R633 PolarHBondContact O-N 3.1Å; Q630-E634 WeakPolarHBondContact CG-OE1 3.47Å; Q630-E634 PolarHBondContact NE2-OE1 2.98Å; Q630-E634 PolarHBondContact O-N 2.92Å
631	L	97.9	Very high	97.5	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-54.8	-37.6	-176	-65.8	166.8	0	0	0	111.7	F595 R606 L607 K627 L628 R633 E634 G635 I636	F595-L631 HydrophobicContact CE1-CD1 3.81Å; F595-L631 HydrophobicContact CZ-CD1 3.97Å; R606-L631 HydrophobicContact CB-CD2 3.71Å; L607-L631 HydrophobicContact CD2-CD1 4.12Å; K627-L631 HydrophobicContact CD-CD1 4.38Å; K627-L631 HydrophobicContact CD-CG 4.2Å; K627-L631 HydrophobicContact CG-CD1 4.13Å; K627-L631 HydrophobicContact CG-CG 4.43Å; K627-L631 VanDerWaalsContact O-CG 3.31Å; K627-L631 WeakPolarHBondContact O-CG 3.35Å; K627-L631 PolarHBondContact O-N 3.34Å; L628-L631 PolarHBondContact O-N 3.41Å; L631-R633 VanDerWaalsContact C-N 3.35Å; L631-R633 PolarHBondContact O-N 3.22Å; L631-E634 CarbonylContact O-C 3.12Å; L631-E634 WeakPolarHBondContact O-CA 3.26Å; L631-E634 WeakPolarHBondContact O-CB 3.5Å; L631-E634 PolarHBondContact O-N 3.18Å; L631-G635 PolarHBondContact O-N 3.11Å; L631-I636 HydrophobicContact CB-CB 4.21Å; L631-I636 HydrophobicContact CB-CD1 4.21Å; L631-I636 HydrophobicContact CB-CG2 4.37Å; L631-I636 HydrophobicContact CD2-CD1 3.69Å; L631-I636 HydrophobicContact CG-CD1 4.5Å; L631-I636 PolarHBondContact O-N 2.75Å
632	R	97.9	Very high	97.7	Very high	94 Å²	94	55.2 Å²	55.2	36%	0.355	27%	0.266	S	S	.	.	H	α-helix	trans	-64.2	-33.6	177.6	-168.8	61	-176.3	133	0.5	114.4	N339 G340 L628 Q630 E634 G635 I636 Y638	N339-R632 WeakPolarHBondContact O-CG 3.46Å; N339-R632 PolarHBondContact O-NE 3.06Å; G340-R632 WeakPolarHBondContact O-CD 3.21Å; G340-R632 PolarHBondContact O-NE 3Å; L628-R632 WeakPolarHBondContact O-CB 3.22Å; L628-R632 PolarHBondContact O-N 2.75Å; Q630-R632 PolarHBondContact O-N 3.08Å; Q630-R632 VanDerWaalsContact O-N 3.16Å; R632-E634 PolarHBondContact O-N 3.48Å; R632-G635 PolarHBondContact NH1-O 3.24Å; R632-G635 PolarHBondContact O-N 2.86Å; R632-I636 VanDerWaalsContact CD-O 3.22Å; R632-I636 WeakPolarHBondContact CD-O 3.32Å; R632-Y638 HydrophobicContact CB-CE1 4.17Å
633	R	97.6	Very high	97.8	Very high	199 Å²	199	51.9 Å²	51.9	75%	0.751	25%	0.253	S	S	*	.	H	α-helix	trans	-71.5	-19.6	172.6	-64.1	175.5	-167.1	110.6	-0.3	112.3	N629 Q630 L631 G635	N629-R633 WeakPolarHBondContact O-CG 3.17Å; N629-R633 VanDerWaalsContact O-CZ 3.26Å; N629-R633 PolarHBondContact O-NH1 3.48Å; Q630-R633 WeakPolarHBondContact O-CB 3.27Å; Q630-R633 PolarHBondContact O-N 3.1Å; L631-R633 VanDerWaalsContact C-N 3.35Å; L631-R633 PolarHBondContact O-N 3.22Å; R633-G635 VanDerWaalsContact C-N 3.3Å
634	E	96.6	Very high	97.9	Very high	67 Å²	67	55.1 Å²	55.1	31%	0.313	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	13.2	175.5	-53.1	172.8	-174.2	0	0	112.4	R606 Q630 L631 R632	R606-E634 WeakPolarHBondContact CD-OE2 3.24Å; R606-E634 IonicContact CZ-OE2 3.62Å; R606-E634 IonicContact NE-OE2 2.67Å; R606-E634 VanDerWaalsContact NH1-CB 3.27Å; R606-E634 IonicContact NH1-OE2 3.69Å; R606-E634 PolarHBondContact NH1-OE2 2.9Å; Q630-E634 WeakPolarHBondContact CG-OE1 3.47Å; Q630-E634 PolarHBondContact NE2-OE1 2.98Å; Q630-E634 PolarHBondContact O-N 2.92Å; L631-E634 CarbonylContact O-C 3.12Å; L631-E634 WeakPolarHBondContact O-CA 3.26Å; L631-E634 WeakPolarHBondContact O-CB 3.5Å; L631-E634 PolarHBondContact O-N 3.18Å; R632-E634 PolarHBondContact O-N 3.48Å
635	G	96.9	Very high	97.8	Very high	47 Å²	47	52.1 Å²	52.1	49%	0.485	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.6	-34.9	176.2	0	0	0	0	0	114.8	L631 R632 R633 R637	L631-G635 PolarHBondContact O-N 3.11Å; R632-G635 PolarHBondContact NH1-O 3.24Å; R632-G635 PolarHBondContact O-N 2.86Å; R633-G635 VanDerWaalsContact C-N 3.3Å; G635-R637 PolarHBondContact O-N 3.04Å
636	I	98.3	Very high	97.8	Very high	3 Å²	3	49.4 Å²	49.4	2%	0.015	24%	0.235	C	C	.	.			trans	-53.8	132.5	-170.5	-65.7	164.4	0	0	0	112.2	F595 D602 V603 R606 L631 R632	F595-I636 HydrophobicContact CD1-CG2 3.67Å; F595-I636 HydrophobicContact CE1-CG2 4.17Å; D602-I636 HydrophobicContact CB-CD1 4.14Å; D602-I636 HydrophobicContact CB-CG1 4.15Å; V603-I636 HydrophobicContact CG2-CD1 4.35Å; V603-I636 HydrophobicContact CG2-CG1 4.45Å; V603-I636 HydrophobicContact CG2-CG2 3.63Å; R606-I636 HydrophobicContact CB-CD1 4.37Å; R606-I636 HydrophobicContact CG-CD1 4.12Å; L631-I636 HydrophobicContact CB-CB 4.21Å; L631-I636 HydrophobicContact CB-CD1 4.21Å; L631-I636 HydrophobicContact CB-CG2 4.37Å; L631-I636 HydrophobicContact CD2-CD1 3.69Å; L631-I636 HydrophobicContact CG-CD1 4.5Å; L631-I636 PolarHBondContact O-N 2.75Å; R632-I636 VanDerWaalsContact CD-O 3.22Å; R632-I636 WeakPolarHBondContact CD-O 3.32Å
637	R	98.4	Very high	97.9	Very high	77 Å²	77	46.4 Å²	46.4	29%	0.291	21%	0.21	S	C	.	.			trans	-96	143.8	177.8	-60.9	166.4	-75.9	178.7	-10.1	111.5	G340 A342 F595 H596 D599 G635	G340-R637 WeakPolarHBondContact O-CA 3.46Å; A342-R637 HydrophobicContact CB-CB 4.14Å; F595-R637 WeakPolarHBondContact CA-O 3.43Å; H596-R637 HydrophobicContact CB-CB 3.79Å; H596-R637 PolarHBondContact CD2-NH1 2.76Å; H596-R637 PolarHBondContact CE1-NH1 2.91Å; H596-R637 VanDerWaalsContact CE1-NH1 3.31Å; H596-R637 VanDerWaalsContact CG-CZ 3.47Å; H596-R637 PolarHBondContact N-O 2.95Å; H596-R637 VanDerWaalsContact N-O 3.1Å; H596-R637 PolarHBondContact ND1-NH2 2.83Å; H596-R637 PolarHBondContact NE2-NH1 3Å; H596-R637 VanDerWaalsContact NE2-NH1 3.17Å; D599-R637 IonicContact OD1-CZ 3.43Å; D599-R637 IonicContact OD1-NE 3.65Å; D599-R637 PolarHBondContact OD1-NE 2.76Å; D599-R637 IonicContact OD1-NH2 3.1Å; D599-R637 PolarHBondContact OD1-NH2 3.39Å; D599-R637 WeakPolarHBondContact OD2-CA 3.4Å; D599-R637 VanDerWaalsContact OD2-CB 3.23Å; D599-R637 WeakPolarHBondContact OD2-CB 3.47Å; D599-R637 WeakPolarHBondContact OD2-CG 3.43Å; D599-R637 IonicContact OD2-CZ 3.79Å; D599-R637 PolarHBondContact OD2-N 3.11Å; D599-R637 IonicContact OD2-NE 2.89Å; D599-R637 PolarHBondContact OD2-NE 2.72Å; D599-R637 IonicContact OD2-NH2 3.95Å; G635-R637 PolarHBondContact O-N 3.04Å
638	Y	98.7	Very high	97.9	Very high	5 Å²	5	45.4 Å²	45.4	2%	0.02	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	164.5	175.2	71.4	-90.6	0	0	0	112.3	Q337 G340 A342 C594 L628 R632	Q337-Y638 WeakPolarHBondContact CB-O 3.34Å; G340-Y638 CarbonylContact C-O 3.5Å; G340-Y638 VanDerWaalsContact CA-CE1 3.48Å; G340-Y638 WeakPolarHBondContact CA-O 3.25Å; G340-Y638 PolarHBondContact O-N 2.64Å; A342-Y638 VanDerWaalsContact CB-C 3.42Å; A342-Y638 WeakPolarHBondContact CB-O 3.4Å; A342-Y638 PolarHBondContact N-O 3.39Å; C594-Y638 CarbonylContact O-C 3.47Å; C594-Y638 WeakPolarHBondContact O-CA 3.47Å; C594-Y638 WeakPolarHBondContact O-CB 3.33Å; L628-Y638 HydrophobicContact CB-CE1 3.94Å; L628-Y638 HydrophobicContact CB-CE2 4.3Å; L628-Y638 HydrophobicContact CD1-CD2 4.24Å; L628-Y638 HydrophobicContact CD1-CE2 3.85Å; L628-Y638 HydrophobicContact CD2-CD1 4.05Å; L628-Y638 HydrophobicContact CD2-CD2 4Å; L628-Y638 HydrophobicContact CD2-CE1 4.24Å; L628-Y638 HydrophobicContact CD2-CE2 4.23Å; L628-Y638 HydrophobicContact CD2-CG 3.93Å; L628-Y638 HydrophobicContact CG-CE2 4.36Å; R632-Y638 HydrophobicContact CB-CE1 4.17Å
639	A	98.6	Very high	98	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	155.5	161.3	0	0	0	0	0	110	Q337 A342 V344 V383 V593 C594 I641	Q337-A639 HydrophobicContact CB-CB 4.15Å; A342-A639 HydrophobicContact CB-CB 4.48Å; V344-A639 HydrophobicContact CG2-CB 3.62Å; V383-A639 HydrophobicContact CG2-CB 3.6Å; V593-A639 WeakPolarHBondContact CA-O 3.48Å; C594-A639 PolarHBondContact N-O 3.29Å; C594-A639 PolarHBondContact O-N 2.81Å; A639-I641 HydrophobicContact CB-CD1 4.15Å; A639-I641 HydrophobicContact CB-CG1 3.95Å
640	R	98.2	Very high	98	Very high	93 Å²	93	42.4 Å²	42.4	35%	0.351	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	102.4	171.7	-176.3	176.4	177.1	-179.5	-3.5	108.8	Q337 D591 V592 V593 D625	Q337-R640 PolarHBondContact OE1-O 2.84Å; D591-R640 IonicContact OD1-CZ 3.21Å; D591-R640 IonicContact OD1-NE 3.21Å; D591-R640 PolarHBondContact OD1-NE 2.84Å; D591-R640 IonicContact OD1-NH2 3.01Å; D591-R640 PolarHBondContact OD1-NH2 3.44Å; D591-R640 IonicContact OD2-CZ 2.98Å; D591-R640 IonicContact OD2-NE 2.69Å; D591-R640 IonicContact OD2-NH2 3.35Å; D591-R640 PolarHBondContact OD2-NH2 3Å; V592-R640 CarbonylContact O-C 3.55Å; V592-R640 WeakPolarHBondContact O-CA 3.31Å; V593-R640 HydrophobicContact CG2-CG 4.24Å; D625-R640 IonicContact OD1-CZ 3.12Å; D625-R640 IonicContact OD1-NH1 2.68Å; D625-R640 PolarHBondContact OD1-NH1 2.72Å; D625-R640 IonicContact OD2-CZ 2.76Å; D625-R640 IonicContact OD2-NH1 3.87Å; D625-R640 PolarHBondContact OD2-NH1 3.42Å
641	I	98.4	Very high	98	Very high	9 Å²	9	38.7 Å²	38.7	5%	0.046	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	140.7	-162	-58.3	172.5	0	0	0	109.5	V344 V383 M384 I386 V592 A639 L643	V344-I641 HydrophobicContact CG1-CD1 3.93Å; V344-I641 HydrophobicContact CG1-CG1 4.5Å; V344-I641 HydrophobicContact CG2-CD1 3.69Å; V344-I641 HydrophobicContact CG2-CG1 3.96Å; V383-I641 HydrophobicContact CG2-CD1 4.4Å; M384-I641 HydrophobicContact CB-CD1 3.72Å; M384-I641 HydrophobicContact CG-CD1 4.39Å; M384-I641 HydrophobicContact SD-CD1 3.86Å; M384-I641 HydrophobicContact SD-CG2 4.22Å; I386-I641 HydrophobicContact CD1-CG2 3.48Å; I386-I641 VanDerWaalsContact CD1-CG2 3.48Å; V592-I641 HydrophobicContact CB-CB 4.32Å; V592-I641 PolarHBondContact N-O 3.06Å; V592-I641 PolarHBondContact O-N 3.46Å; A639-I641 HydrophobicContact CB-CD1 4.15Å; A639-I641 HydrophobicContact CB-CG1 3.95Å; I641-L643 HydrophobicContact CG2-CD2 3.87Å; I641-L643 HydrophobicContact CG2-CG 4.25Å
642	Q	98.1	Very high	98	Very high	97 Å²	97	38.8 Å²	38.8	45%	0.453	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.5	168.1	-67.8	179.8	0.1	0	0	109.3	I588 Y644	I588-Q642 VanDerWaalsContact CD1-OE1 3.26Å; I588-Q642 HydrophobicContact CG2-CB 4.15Å; I588-Q642 HydrophobicContact CG2-CG 4.36Å; Q642-Y644 HydrophobicContact CB-CE2 3.96Å; Q642-Y644 WeakPolarHBondContact O-CD2 3.14Å; Q642-Y644 WeakPolarHBondContact O-CE2 3.11Å; Q642-Y644 PolarHBondContact OE1-OH 2.67Å
643	L	98.6	Very high	97.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	139.1	173.6	-59.5	177.7	0	0	0	109.9	M384 I386 L573 T589 K590 V592 I641 D647 Y649 F659	M384-L643 HydrophobicContact CE-CD1 4.39Å; M384-L643 HydrophobicContact SD-CD1 4.17Å; M384-L643 HydrophobicContact SD-CD2 3.93Å; M384-L643 HydrophobicContact SD-CG 4.48Å; I386-L643 HydrophobicContact CD1-CD2 3.73Å; I386-L643 HydrophobicContact CG1-CD2 4.06Å; I386-L643 HydrophobicContact CG2-CD2 3.97Å; L573-L643 HydrophobicContact CD1-CB 3.56Å; L573-L643 HydrophobicContact CD1-CD1 3.97Å; L573-L643 HydrophobicContact CD1-CG 4.4Å; T589-L643 PolarHBondContact N-O 2.73Å; T589-L643 PolarHBondContact OG1-O 3.01Å; K590-L643 HydrophobicContact CB-CB 4.32Å; K590-L643 PolarHBondContact N-O 2.89Å; K590-L643 VanDerWaalsContact N-O 3.13Å; K590-L643 PolarHBondContact O-N 3.26Å; V592-L643 HydrophobicContact CG2-CD1 3.75Å; V592-L643 HydrophobicContact CG2-CG 3.91Å; I641-L643 HydrophobicContact CG2-CD2 3.87Å; I641-L643 HydrophobicContact CG2-CG 4.25Å; L643-D647 WeakPolarHBondContact CA-OD2 3.28Å; L643-Y649 HydrophobicContact CD1-CD1 3.72Å; L643-Y649 HydrophobicContact CD1-CD2 4.42Å; L643-Y649 HydrophobicContact CD1-CE1 4.03Å; L643-Y649 HydrophobicContact CD1-CG 3.92Å; L643-F659 HydrophobicContact CD1-CE1 4.22Å
644	Y	97.8	Very high	97.8	Very high	73 Å²	73	27.3 Å²	27.3	29%	0.286	13%	0.132	S	C	.	.			trans	-105.4	-173.3	-168.1	-68.9	-99.6	0	0	0	112	R587 I588 T589 Q642 D647	R587-Y644 CarbonylContact O-C 3.58Å; R587-Y644 VanDerWaalsContact O-CA 3.31Å; R587-Y644 WeakPolarHBondContact O-CA 3.42Å; I588-Y644 HydrophobicContact CD1-CE1 4.26Å; I588-Y644 HydrophobicContact CG1-CD1 3.88Å; I588-Y644 HydrophobicContact CG1-CE1 3.37Å; T589-Y644 PolarHBondContact OG1-O 2.91Å; T589-Y644 VanDerWaalsContact OG1-O 3.04Å; Q642-Y644 HydrophobicContact CB-CE2 3.96Å; Q642-Y644 WeakPolarHBondContact O-CD2 3.14Å; Q642-Y644 WeakPolarHBondContact O-CE2 3.11Å; Q642-Y644 PolarHBondContact OE1-OH 2.67Å; Y644-D647 PolarHBondContact N-OD2 3.39Å
645	H	96.2	Very high	97.9	Very high	14 Å²	14	24.3 Å²	24.3	7%	0.065	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	137.1	162.9	178.9	20.8	0	0	0	108.8	A575 R577 A586 R587 D647	A575-H645 HydrophobicContact CB-CB 3.87Å; A575-H645 PolarHBondContact N-ND1 3.43Å; R577-H645 PolarHBondContact NH1-NE2 2.78Å; A586-H645 HydrophobicContact CB-CB 4.34Å; R587-H645 PolarHBondContact O-N 3.46Å; H645-D647 VanDerWaalsContact C-N 3.26Å; H645-D647 PolarHBondContact O-N 3.41Å
646	D	97.1	Very high	98	Very high	23 Å²	23	22.1 Å²	22.1	12%	0.123	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	10.5	178.2	-60.1	-22.6	0	0	0	115.4	G389 A390 A391 S392 L573 K574	G389-D646 CarbonylContact C-O 3.53Å; G389-D646 VanDerWaalsContact CA-O 3.28Å; G389-D646 WeakPolarHBondContact CA-O 3.37Å; G389-D646 PolarHBondContact N-O 3.44Å; A390-D646 PolarHBondContact N-O 2.76Å; A391-D646 WeakPolarHBondContact CB-O 3.39Å; A391-D646 PolarHBondContact N-O 2.77Å; S392-D646 WeakPolarHBondContact CA-OD2 3.09Å; L573-D646 WeakPolarHBondContact O-CA 3.41Å; L573-D646 PolarHBondContact O-N 3.23Å; K574-D646 WeakPolarHBondContact CD-OD1 3.27Å; K574-D646 VanDerWaalsContact CE-OD1 3.24Å; K574-D646 WeakPolarHBondContact CE-OD1 3.38Å; K574-D646 IonicContact NZ-OD1 2.75Å; K574-D646 PolarHBondContact NZ-OD1 3.3Å; K574-D646 IonicContact NZ-OD2 3.84Å
647	D	98.6	Very high	98	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.011	10%	0.096	C	C	.	.			trans	-72.2	138.3	170.2	-74.9	4.5	0	0	0	112.1	I386 H388 L573 L643 Y644 H645	I386-D647 HydrophobicContact CG2-CB 4.46Å; H388-D647 WeakPolarHBondContact CA-OD1 3.36Å; H388-D647 IonicContact CE1-OD1 2.8Å; H388-D647 IonicContact CE1-OD2 2.72Å; H388-D647 PolarHBondContact CE1-OD2 3.49Å; H388-D647 IonicContact CG-OD1 3.94Å; H388-D647 IonicContact ND1-OD1 2.71Å; H388-D647 PolarHBondContact ND1-OD1 2.99Å; H388-D647 IonicContact ND1-OD2 3.68Å; H388-D647 PolarHBondContact ND1-OD2 3.01Å; H388-D647 VanDerWaalsContact ND1-OD2 3.1Å; L573-D647 PolarHBondContact N-O 3.39Å; L643-D647 WeakPolarHBondContact CA-OD2 3.28Å; Y644-D647 PolarHBondContact N-OD2 3.39Å; H645-D647 VanDerWaalsContact C-N 3.26Å; H645-D647 PolarHBondContact O-N 3.41Å
648	I	98.8	Very high	98	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135	158.8	-60.3	177.7	0	0	0	107.4	I386 I387 A390 A391 L476 V572 F650	I386-I648 WeakPolarHBondContact CA-O 3.27Å; I387-I648 PolarHBondContact N-O 3.25Å; I387-I648 PolarHBondContact O-N 3.07Å; I387-I648 VanDerWaalsContact O-N 3.13Å; A390-I648 HydrophobicContact CB-CB 4.38Å; A390-I648 HydrophobicContact CB-CD1 3.64Å; A390-I648 HydrophobicContact CB-CG1 3.96Å; A391-I648 HydrophobicContact CB-CD1 4.41Å; A391-I648 HydrophobicContact CB-CG1 3.94Å; L476-I648 HydrophobicContact CD1-CD1 4.13Å; L476-I648 HydrophobicContact CD2-CD1 3.98Å; L476-I648 HydrophobicContact CD2-CG1 4.49Å; L476-I648 HydrophobicContact CD2-CG2 3.66Å; L476-I648 HydrophobicContact CG-CD1 3.99Å; V572-I648 HydrophobicContact CG1-CG1 4.31Å; V572-I648 HydrophobicContact CG2-CG1 4.35Å; I648-F650 HydrophobicContact CG2-CE1 4.12Å; I648-F650 HydrophobicContact CG2-CE2 4.17Å; I648-F650 HydrophobicContact CG2-CZ 3.66Å
649	Y	98.8	Very high	97.9	Very high	6 Å²	6	19.1 Å²	19.1	2%	0.024	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.5	179.1	67.9	-90	0	0	0	113.3	M384 G385 V570 G571 L573 K590 L643 I651 F659	M384-Y649 HydrophobicContact CE-CD2 3.9Å; M384-Y649 HydrophobicContact CE-CE2 4.49Å; M384-Y649 HydrophobicContact CE-CG 4.5Å; M384-Y649 HydrophobicContact SD-CD2 4.37Å; M384-Y649 HydrophobicContact SD-CG 4.44Å; G385-Y649 CarbonylContact O-C 3.52Å; G385-Y649 VanDerWaalsContact O-CA 3.29Å; G385-Y649 WeakPolarHBondContact O-CA 3.38Å; V570-Y649 WeakPolarHBondContact CA-O 3.4Å; G571-Y649 PolarHBondContact N-O 2.8Å; G571-Y649 WeakPolarHBondContact O-CD1 3.48Å; G571-Y649 PolarHBondContact O-N 3.02Å; L573-Y649 HydrophobicContact CD1-CD1 4.13Å; L573-Y649 HydrophobicContact CD1-CE1 3.94Å; L573-Y649 HydrophobicContact CD2-CE1 3.84Å; L573-Y649 HydrophobicContact CG-CD1 4.17Å; L573-Y649 HydrophobicContact CG-CE1 3.8Å; K590-Y649 PolarHBondContact NZ-OH 2.76Å; L643-Y649 HydrophobicContact CD1-CD1 3.72Å; L643-Y649 HydrophobicContact CD1-CD2 4.42Å; L643-Y649 HydrophobicContact CD1-CE1 4.03Å; L643-Y649 HydrophobicContact CD1-CG 3.92Å; Y649-I651 HydrophobicContact CD2-CD1 4.19Å; Y649-I651 HydrophobicContact CD2-CG1 4.06Å; Y649-I651 HydrophobicContact CE2-CD1 3.95Å; Y649-I651 HydrophobicContact CE2-CG1 4.28Å; Y649-F659 HydrophobicContact CE2-CE1 4.33Å; Y649-F659 AromaticContact CE2-CZ 3.81Å; Y649-F659 HydrophobicContact CE2-CZ 3.81Å; Y649-F659 AromaticContact CZ-CZ 3.95Å
650	F	98.7	Very high	97.9	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	129.1	-177.7	-50.5	-77.5	0	0	0	109.5	F367 V368 F372 M384 G385 I387 F475 T479 V570 I648	F367-F650 HydrophobicContact CD1-CE2 4.35Å; F367-F650 HydrophobicContact CE1-CD2 4.19Å; F367-F650 HydrophobicContact CE1-CE2 4.03Å; V368-F650 HydrophobicContact CG2-CE1 4.4Å; V368-F650 HydrophobicContact CG2-CE2 4.47Å; V368-F650 HydrophobicContact CG2-CZ 4.1Å; F372-F650 HydrophobicContact CE1-CB 3.95Å; F372-F650 HydrophobicContact CE2-CB 4.43Å; F372-F650 HydrophobicContact CE2-CD1 4.2Å; F372-F650 HydrophobicContact CZ-CB 3.75Å; F372-F650 AromaticContact CZ-CD1 3.96Å; F372-F650 HydrophobicContact CZ-CD1 3.96Å; F372-F650 HydrophobicContact CZ-CG 4.23Å; M384-F650 CarbonylContact C-O 3.56Å; M384-F650 VanDerWaalsContact CA-O 3.25Å; M384-F650 WeakPolarHBondContact CA-O 3.37Å; M384-F650 WeakPolarHBondContact CG-O 3.3Å; G385-F650 PolarHBondContact N-O 3.02Å; G385-F650 PolarHBondContact O-N 3.37Å; I387-F650 HydrophobicContact CD1-CE2 3.89Å; I387-F650 HydrophobicContact CD1-CZ 4.32Å; I387-F650 HydrophobicContact CG1-CE2 4.06Å; F475-F650 HydrophobicContact CB-CZ 4.12Å; T479-F650 HydrophobicContact CG2-CD1 4.23Å; T479-F650 HydrophobicContact CG2-CE1 3.85Å; V570-F650 HydrophobicContact CB-CD1 4.4Å; V570-F650 HydrophobicContact CG1-CD1 3.77Å; V570-F650 HydrophobicContact CG1-CE1 3.77Å; V570-F650 HydrophobicContact CG2-CD1 3.91Å; V570-F650 HydrophobicContact CG2-CE1 4.46Å; I648-F650 HydrophobicContact CG2-CE1 4.12Å; I648-F650 HydrophobicContact CG2-CE2 4.17Å; I648-F650 HydrophobicContact CG2-CZ 3.66Å
651	I	98.6	Very high	97.9	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.021	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	113	177.3	-59	-178.4	0	0	0	107.9	M384 A568 A569 Y649 V655 F659	M384-I651 HydrophobicContact CE-CD1 3.74Å; M384-I651 HydrophobicContact CE-CG1 3.66Å; A568-I651 CarbonylContact C-O 3.1Å; A568-I651 VanDerWaalsContact CA-O 3.26Å; A568-I651 WeakPolarHBondContact CA-O 3.39Å; A568-I651 WeakPolarHBondContact CB-O 3.42Å; A569-I651 HydrophobicContact CB-CB 4.4Å; A569-I651 PolarHBondContact N-O 2.78Å; A569-I651 PolarHBondContact O-N 3.23Å; Y649-I651 HydrophobicContact CD2-CD1 4.19Å; Y649-I651 HydrophobicContact CD2-CG1 4.06Å; Y649-I651 HydrophobicContact CE2-CD1 3.95Å; Y649-I651 HydrophobicContact CE2-CG1 4.28Å; I651-V655 HydrophobicContact CG2-CB 3.8Å; I651-V655 HydrophobicContact CG2-CG1 3.94Å; I651-F659 HydrophobicContact CD1-CE2 4.47Å; I651-F659 HydrophobicContact CD1-CZ 4.01Å
652	P	97.9	Very high	97.9	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	9%	0.093	C	C	.	.			trans	-66.3	163.2	175.6	-25	36.9	0	0	0	114	S371 F372 A380 V655	S371-P652 WeakPolarHBondContact O-CG 3.38Å; F372-P652 HydrophobicContact CD1-CB 4.15Å; F372-P652 HydrophobicContact CD1-CG 3.97Å; A380-P652 HydrophobicContact CB-CB 3.35Å; A380-P652 HydrophobicContact CB-CG 3.95Å; P652-V655 HydrophobicContact CB-CG2 4.29Å; P652-V655 WeakPolarHBondContact O-CB 3.45Å; P652-V655 WeakPolarHBondContact O-CG2 3.46Å; P652-V655 PolarHBondContact O-N 3.2Å
653	R	96.1	Very high	97.8	Very high	42 Å²	42	15.6 Å²	15.6	16%	0.158	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	153.8	173.4	74.7	175.9	169.9	176.9	-4.2	111.8	E374 T566 T567 V655 Y677	E374-R653 IonicContact OE1-CZ 3.78Å; E374-R653 IonicContact OE1-NE 3.9Å; E374-R653 PolarHBondContact OE1-NE 3.19Å; E374-R653 IonicContact OE1-NH2 2.81Å; E374-R653 PolarHBondContact OE1-NH2 2.91Å; E374-R653 VanDerWaalsContact OE1-NH2 3.14Å; E374-R653 IonicContact OE2-CZ 3.63Å; E374-R653 IonicContact OE2-NE 3.5Å; E374-R653 IonicContact OE2-NH2 3.41Å; E374-R653 PolarHBondContact OE2-NH2 3.09Å; T566-R653 WeakPolarHBondContact O-CB 3.39Å; T567-R653 WeakPolarHBondContact O-CA 3.1Å; R653-V655 PolarHBondContact O-N 3.21Å; R653-Y677 HydrophobicContact CB-CE2 3.8Å; R653-Y677 HydrophobicContact CG-CD2 4.24Å; R653-Y677 HydrophobicContact CG-CE1 4.14Å; R653-Y677 HydrophobicContact CG-CE2 3.65Å; R653-Y677 PolarHBondContact N-OH 2.93Å
654	G	95.8	Very high	97.7	Very high	11 Å²	11	15.6 Å²	15.6	11%	0.113	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.5	-5.3	-177.6	0	0	0	0	0	115.2	T566 F600 V656	T566-G654 PolarHBondContact OG1-N 2.84Å; F600-G654 WeakPolarHBondContact CD2-O 3.13Å; G654-V656 PolarHBondContact O-N 3Å
655	V	98.1	Very high	97.7	Very high	3 Å²	3	12.1 Å²	12.1	2%	0.018	6%	0.064	C	C	.	.			trans	-81.3	101.7	175.8	178.8	0	0	0	0	110.5	V383 C594 A597 I651 P652 R653 H657	V383-V655 HydrophobicContact CB-CG1 4.19Å; V383-V655 WeakPolarHBondContact O-CG1 3.47Å; C594-V655 HydrophobicContact CB-CG1 3.85Å; A597-V655 HydrophobicContact CB-CG2 4.21Å; I651-V655 HydrophobicContact CG2-CB 3.8Å; I651-V655 HydrophobicContact CG2-CG1 3.94Å; P652-V655 HydrophobicContact CB-CG2 4.29Å; P652-V655 WeakPolarHBondContact O-CB 3.45Å; P652-V655 WeakPolarHBondContact O-CG2 3.46Å; P652-V655 PolarHBondContact O-N 3.2Å; R653-V655 PolarHBondContact O-N 3.21Å; V655-H657 HydrophobicContact CG1-CB 4.34Å; V655-H657 PolarHBondContact O-N 3.2Å; V655-H657 PolarHBondContact O-ND1 2.86Å; V655-H657 VanDerWaalsContact O-ND1 3.12Å
656	V	98.4	Very high	97.8	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.012	6%	0.061	C	C	.	.			trans	-66.1	129.3	163.5	173.3	0	0	0	0	108.5	A553 H554 A555 C594 F595 F600 V603 L607 L609 G654	A553-V656 HydrophobicContact CB-CG1 4.1Å; H554-V656 CarbonylContact O-C 3.5Å; H554-V656 VanDerWaalsContact O-CA 3.27Å; H554-V656 WeakPolarHBondContact O-CA 3.45Å; A555-V656 HydrophobicContact CB-CG2 4.03Å; C594-V656 WeakPolarHBondContact CA-O 3.24Å; F595-V656 HydrophobicContact CB-CB 4.46Å; F595-V656 HydrophobicContact CD2-CB 4.1Å; F595-V656 HydrophobicContact CD2-CG1 3.89Å; F595-V656 WeakPolarHBondContact CD2-O 3.5Å; F595-V656 HydrophobicContact CE2-CG1 4.42Å; F595-V656 PolarHBondContact N-O 3.27Å; F600-V656 HydrophobicContact CD2-CG2 3.78Å; F600-V656 HydrophobicContact CE2-CG2 3.94Å; V603-V656 HydrophobicContact CG1-CB 3.81Å; V603-V656 HydrophobicContact CG1-CG1 3.83Å; V603-V656 HydrophobicContact CG1-CG2 3.88Å; L607-V656 HydrophobicContact CD1-CG1 4.37Å; L609-V656 HydrophobicContact CD1-CB 4.47Å; L609-V656 HydrophobicContact CD1-CG1 3.83Å; L609-V656 HydrophobicContact CD1-CG2 3.7Å; G654-V656 PolarHBondContact O-N 3Å
657	H	98.3	Very high	97.9	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.009	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	163.8	-177	66.7	-86	0	0	0	113.4	A553 H554 D556 V593 C594 V655 F659	A553-H657 CarbonylContact C-O 3.57Å; A553-H657 VanDerWaalsContact CA-O 3.28Å; A553-H657 WeakPolarHBondContact CA-O 3.48Å; H554-H657 AromaticContact CD2-NE2 3.96Å; H554-H657 AromaticContact CE1-CD2 3.91Å; H554-H657 AromaticContact CE1-NE2 3.64Å; H554-H657 PolarHBondContact N-O 3.32Å; H554-H657 PolarHBondContact ND1-O 2.98Å; H554-H657 AromaticContact NE2-CE1 3.87Å; H554-H657 AromaticContact NE2-NE2 3.33Å; H554-H657 PolarHBondContact NE2-NE2 2.74Å; H554-H657 PolarHBondContact O-N 2.95Å; D556-H657 IonicContact OD2-CE1 3.62Å; D556-H657 PolarHBondContact OD2-CE1 2.79Å; D556-H657 IonicContact OD2-NE2 3.59Å; V593-H657 CarbonylContact O-C 3.12Å; V593-H657 WeakPolarHBondContact O-CA 3.02Å; C594-H657 HydrophobicContact CB-CB 4.23Å; V655-H657 HydrophobicContact CG1-CB 4.34Å; V655-H657 PolarHBondContact O-N 3.2Å; V655-H657 PolarHBondContact O-ND1 2.86Å; V655-H657 VanDerWaalsContact O-ND1 3.12Å; H657-F659 AromaticContact CD2-CD2 3.9Å; H657-F659 AromaticContact CD2-CE2 3.34Å; H657-F659 WeakPolarHBondContact CD2-CE2 3.27Å; H657-F659 AromaticContact CD2-CZ 3.99Å; H657-F659 AromaticContact NE2-CE2 3.52Å
658	Q	97.8	Very high	97.9	Very high	1 Å²	1	10.3 Å²	10.3	1%	0.005	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	132.4	-168	175.2	-169.7	5	0	0	109.5	T551 A553 V592 V593 W622 I623	T551-Q658 WeakPolarHBondContact O-CG 3.21Å; A553-Q658 HydrophobicContact CB-CB 4.34Å; V592-Q658 WeakPolarHBondContact CA-O 3.31Å; V592-Q658 VanDerWaalsContact CG1-O 3.32Å; V592-Q658 WeakPolarHBondContact CG1-O 3.06Å; V593-Q658 HydrophobicContact CB-CB 4.29Å; V593-Q658 PolarHBondContact N-O 2.65Å; V593-Q658 PolarHBondContact O-N 2.76Å; W622-Q658 HydrophobicContact CE3-CG 4.21Å; W622-Q658 HydrophobicContact CH2-CG 3.66Å; W622-Q658 HydrophobicContact CZ2-CG 4.45Å; W622-Q658 HydrophobicContact CZ3-CG 3.52Å; I623-Q658 VanDerWaalsContact CB-OE1 3.26Å; I623-Q658 VanDerWaalsContact N-NE2 3.19Å; I623-Q658 PolarHBondContact O-NE2 3.32Å
659	F	98.1	Very high	97.9	Very high	18 Å²	18	11 Å²	11	8%	0.079	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.5	-177	-70.4	-78.1	0	0	0	112.3	R550 T551 K590 V592 L643 Y649 I651 H657	R550-F659 CarbonylContact C-O 3.34Å; R550-F659 WeakPolarHBondContact CA-O 3.35Å; T551-F659 PolarHBondContact N-O 3.37Å; T551-F659 PolarHBondContact O-N 3.08Å; T551-F659 VanDerWaalsContact O-O 3.08Å; K590-F659 HydrophobicContact CB-CD1 4.33Å; K590-F659 HydrophobicContact CD-CD1 3.49Å; K590-F659 VanDerWaalsContact CD-CD1 3.49Å; K590-F659 HydrophobicContact CD-CE1 3.83Å; K590-F659 HydrophobicContact CD-CG 4.32Å; K590-F659 HydrophobicContact CG-CD1 4.48Å; V592-F659 HydrophobicContact CB-CD1 4.18Å; V592-F659 HydrophobicContact CB-CE1 4.33Å; V592-F659 HydrophobicContact CG1-CD1 3.6Å; V592-F659 HydrophobicContact CG1-CE1 3.57Å; V592-F659 HydrophobicContact CG1-CG 4.29Å; V592-F659 HydrophobicContact CG1-CZ 4.25Å; V592-F659 HydrophobicContact CG2-CD1 3.62Å; V592-F659 HydrophobicContact CG2-CE1 3.75Å; L643-F659 HydrophobicContact CD1-CE1 4.22Å; Y649-F659 HydrophobicContact CE2-CE1 4.33Å; Y649-F659 AromaticContact CE2-CZ 3.81Å; Y649-F659 HydrophobicContact CE2-CZ 3.81Å; Y649-F659 AromaticContact CZ-CZ 3.95Å; I651-F659 HydrophobicContact CD1-CE2 4.47Å; I651-F659 HydrophobicContact CD1-CZ 4.01Å; H657-F659 AromaticContact CD2-CD2 3.9Å; H657-F659 AromaticContact CD2-CE2 3.34Å; H657-F659 WeakPolarHBondContact CD2-CE2 3.27Å; H657-F659 AromaticContact CD2-CZ 3.99Å; H657-F659 AromaticContact NE2-CE2 3.52Å
660	K	98.1	Very high	97.8	Very high	49 Å²	49	11 Å²	11	21%	0.213	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	127.8	160.2	169.8	174	167.9	166.3	0	109.4	E508 R550 K590 D591 W622 V662	E508-K660 VanDerWaalsContact OE1-CE 3.24Å; E508-K660 WeakPolarHBondContact OE1-CE 3.36Å; E508-K660 IonicContact OE1-NZ 3.9Å; E508-K660 PolarHBondContact OE1-NZ 2.85Å; E508-K660 IonicContact OE2-NZ 3.99Å; R550-K660 HydrophobicContact CG-CB 4.46Å; R550-K660 HydrophobicContact CG-CG 4.44Å; K590-K660 CarbonylContact C-O 3.49Å; K590-K660 VanDerWaalsContact CA-O 3.26Å; K590-K660 WeakPolarHBondContact CA-O 3.36Å; D591-K660 HydrophobicContact CB-CB 4.3Å; D591-K660 PolarHBondContact N-O 3.39Å; D591-K660 WeakPolarHBondContact O-CB 3.44Å; D591-K660 PolarHBondContact O-N 2.65Å; W622-K660 HydrophobicContact CH2-CB 3.88Å; W622-K660 HydrophobicContact CZ2-CB 4.17Å; K660-V662 HydrophobicContact CG-CG2 4.47Å
661	T	98.3	Very high	97.7	Very high	6 Å²	6	13.4 Å²	13.4	4%	0.037	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	116.7	172	-44.5	0	0	0	0	109.5	R505 E508 D549 S663 V665	R505-T661 HydrophobicContact CB-CG2 3.72Å; E508-T661 PolarHBondContact N-O 3.25Å; D549-T661 VanDerWaalsContact CG-OG1 3.31Å; D549-T661 PolarHBondContact O-N 2.7Å; D549-T661 WeakPolarHBondContact OD1-CB 3.43Å; D549-T661 PolarHBondContact OD1-OG1 3.38Å; T661-S663 VanDerWaalsContact CG2-O 3.22Å; T661-S663 WeakPolarHBondContact CG2-O 3.19Å; T661-V665 HydrophobicContact CG2-CG1 3.79Å
662	V	97.3	Very high	97.6	Very high	53 Å²	53	13.2 Å²	13.2	32%	0.321	7%	0.071	S	C	.	.			trans	-93.3	-44.4	-179.5	-178.1	0	0	0	0	111.2	I588 T589 D591 K660	I588-V662 HydrophobicContact CG2-CB 4.46Å; I588-V662 HydrophobicContact CG2-CG2 4.5Å; T589-V662 PolarHBondContact O-N 2.75Å; D591-V662 HydrophobicContact CB-CG2 3.61Å; K660-V662 HydrophobicContact CG-CG2 4.47Å
663	S	96.8	Very high	97.4	Very high	17 Å²	17	16.2 Å²	16.2	12%	0.119	8%	0.082	C	C	.	.	S	Bend	trans	-122.9	154.6	175.7	-55.1	0	0	0	0	110.3	G439 I588 T589 T661 V665	G439-S663 CarbonylContact O-C 3.59Å; G439-S663 WeakPolarHBondContact O-CA 3.12Å; I588-S663 VanDerWaalsContact O-CB 3.27Å; I588-S663 WeakPolarHBondContact O-CB 3.33Å; I588-S663 PolarHBondContact O-OG 2.84Å; T589-S663 PolarHBondContact O-N 3.04Å; T661-S663 VanDerWaalsContact CG2-O 3.22Å; T661-S663 WeakPolarHBondContact CG2-O 3.19Å; S663-V665 PolarHBondContact O-N 2.92Å
664	A	97.3	Very high	97.3	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.008	8%	0.075	C	C	.	.			trans	-56.5	128	175.5	0	0	0	0	0	111.4	Y436 G439 Y441 R505 V576	Y436-A664 HydrophobicContact CE2-CB 4.5Å; G439-A664 WeakPolarHBondContact O-CB 3.46Å; G439-A664 PolarHBondContact O-N 3.41Å; Y441-A664 HydrophobicContact CD1-CB 3.62Å; Y441-A664 HydrophobicContact CE1-CB 3.93Å; R505-A664 WeakPolarHBondContact O-CA 3.41Å; V576-A664 HydrophobicContact CB-CB 3.97Å; V576-A664 HydrophobicContact CG2-CB 4.16Å; V576-A664 PolarHBondContact N-O 3.14Å
665	V	97.9	Very high	97.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	137.9	-168.1	64.4	0	0	0	0	111.1	V504 R505 L573 K574 T589 T661 S663	V504-V665 WeakPolarHBondContact CA-O 3.18Å; R505-V665 HydrophobicContact CB-CG1 4.41Å; R505-V665 PolarHBondContact N-O 3.07Å; R505-V665 PolarHBondContact O-N 2.91Å; R505-V665 VanDerWaalsContact O-N 3.1Å; L573-V665 HydrophobicContact CB-CG2 4.24Å; L573-V665 HydrophobicContact CD2-CG2 4.15Å; K574-V665 WeakPolarHBondContact O-CG2 3.48Å; T589-V665 HydrophobicContact CG2-CB 4.02Å; T589-V665 HydrophobicContact CG2-CG2 3.74Å; T661-V665 HydrophobicContact CG2-CG1 3.79Å; S663-V665 PolarHBondContact O-N 2.92Å
666	C	97.9	Very high	96.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121.6	161.9	-55.1	0	0	0	0	107.8	F397 W503 V504 K574	F397-C666 HydrophobicContact CB-CB 3.95Å; F397-C666 HydrophobicContact CD2-CB 3.65Å; F397-C666 HydrophobicContact CG-CB 4.23Å; W503-C666 WeakPolarHBondContact O-CA 3.23Å; V504-C666 HydrophobicContact CG2-CB 4.24Å; K574-C666 PolarHBondContact N-O 3.2Å; K574-C666 PolarHBondContact O-N 2.73Å
667	S	98.4	Very high	96	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	137.8	174.1	-62.7	0	0	0	0	109.9	M502 W503 V572 L573 K590	M502-S667 WeakPolarHBondContact CA-O 3.3Å; W503-S667 PolarHBondContact N-O 2.89Å; W503-S667 PolarHBondContact O-N 3.33Å; V572-S667 WeakPolarHBondContact O-CA 3.37Å; L573-S667 WeakPolarHBondContact CD2-OG 3.45Å; K590-S667 WeakPolarHBondContact CE-OG 3.37Å; K590-S667 PolarHBondContact NZ-OG 2.89Å
668	L	98.4	Very high	94.9	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	148.8	153	-57.9	174.3	0	0	0	108.8	F397 L451 F466 L470 I501 M502 G571 V572 W670	F397-L668 HydrophobicContact CD2-CD2 4.45Å; F397-L668 HydrophobicContact CD2-CG 4.11Å; F397-L668 HydrophobicContact CE1-CD1 4.21Å; F397-L668 HydrophobicContact CE2-CD1 3.77Å; F397-L668 HydrophobicContact CE2-CD2 4.34Å; F397-L668 HydrophobicContact CE2-CG 3.54Å; F397-L668 HydrophobicContact CZ-CD1 3.55Å; F397-L668 HydrophobicContact CZ-CG 3.89Å; L451-L668 HydrophobicContact CD1-CD2 3.64Å; F466-L668 HydrophobicContact CE1-CD1 3.83Å; F466-L668 HydrophobicContact CE1-CD2 4.19Å; F466-L668 HydrophobicContact CZ-CD1 4.02Å; L470-L668 HydrophobicContact CD1-CD1 4.12Å; L470-L668 HydrophobicContact CD2-CD1 3.68Å; I501-L668 WeakPolarHBondContact O-CA 3.41Å; M502-L668 HydrophobicContact CB-CD2 3.6Å; M502-L668 HydrophobicContact CG-CD2 3.83Å; G571-L668 WeakPolarHBondContact CA-O 3.42Å; V572-L668 HydrophobicContact CB-CB 4.18Å; V572-L668 HydrophobicContact CB-CD1 4.33Å; V572-L668 PolarHBondContact N-O 2.86Å; V572-L668 PolarHBondContact O-N 3.32Å; L668-W670 HydrophobicContact CB-CZ3 4.2Å
669	A	98.1	Very high	93.1	Very high	16 Å²	16	28 Å²	28	13%	0.132	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	163.3	159.3	0	0	0	0	0	112.6	P500 I501 W503 V570	P500-A669 WeakPolarHBondContact CA-O 3.38Å; I501-A669 WeakPolarHBondContact CG1-O 3.45Å; I501-A669 PolarHBondContact N-O 2.86Å; I501-A669 PolarHBondContact O-N 2.94Å; W503-A669 HydrophobicContact CH2-CB 3.56Å; W503-A669 HydrophobicContact CZ3-CB 3.7Å; V570-A669 CarbonylContact O-C 3.43Å; V570-A669 WeakPolarHBondContact O-CA 3.32Å; V570-A669 VanDerWaalsContact O-CB 3.3Å; V570-A669 WeakPolarHBondContact O-CB 3.34Å
670	W	98	Very high	91	Very high	5 Å²	5	31.4 Å²	31.4	2%	0.019	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	163.1	170.8	53.8	94.3	0	0	0	110.4	L470 L476 T479 L480 P481 D498 P500 A569 V570 V572 L668	L470-W670 HydrophobicContact CD1-CZ3 4.34Å; L476-W670 HydrophobicContact CB-CZ2 4.44Å; L476-W670 HydrophobicContact CD1-CH2 4.25Å; L476-W670 HydrophobicContact CD2-CH2 3.82Å; L476-W670 HydrophobicContact CD2-CZ2 3.86Å; L476-W670 HydrophobicContact CG-CH2 4.43Å; T479-W670 PolarHBondContact O-NE1 3.26Å; L480-W670 HydrophobicContact CD2-CD2 4.28Å; L480-W670 HydrophobicContact CD2-CH2 4.1Å; L480-W670 HydrophobicContact CD2-CZ2 3.77Å; L480-W670 HydrophobicContact CG-CZ2 4.09Å; P481-W670 HydrophobicContact CG-CB 4.15Å; P481-W670 HydrophobicContact CG-CG 4.27Å; D498-W670 CarbonylContact O-C 3.51Å; D498-W670 WeakPolarHBondContact O-CA 3.47Å; D498-W670 VanDerWaalsContact O-CB 3.22Å; D498-W670 WeakPolarHBondContact O-CB 3.42Å; P500-W670 HydrophobicContact CB-CD2 4.45Å; P500-W670 HydrophobicContact CB-CE3 3.7Å; P500-W670 HydrophobicContact CB-CZ3 4.27Å; P500-W670 HydrophobicContact CG-CB 4.44Å; P500-W670 HydrophobicContact CG-CD2 4.02Å; P500-W670 HydrophobicContact CG-CE3 3.62Å; P500-W670 HydrophobicContact CG-CG 4.4Å; P500-W670 HydrophobicContact CG-CZ3 4.13Å; A569-W670 WeakPolarHBondContact CA-O 3.5Å; V570-W670 HydrophobicContact CB-CD2 4.33Å; V570-W670 HydrophobicContact CB-CZ2 4.12Å; V570-W670 HydrophobicContact CG1-CH2 4.42Å; V570-W670 HydrophobicContact CG1-CZ2 3.82Å; V570-W670 PolarHBondContact N-O 3.32Å; V570-W670 PolarHBondContact O-N 3.19Å; V572-W670 HydrophobicContact CG2-CH2 3.98Å; V572-W670 HydrophobicContact CG2-CZ3 4.17Å; L668-W670 HydrophobicContact CB-CZ3 4.2Å
671	H	96.9	Very high	88.9	Confident	51 Å²	51	32.8 Å²	32.8	24%	0.236	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	155.9	167.4	-54.2	137.2	0	0	0	111.1	D498 D556 T567 A568	D498-H671 HydrophobicContact CB-CB 4.08Å; D498-H671 PolarHBondContact O-N 3.11Å; D556-H671 IonicContact OD1-NE2 3.59Å; T567-H671 HydrophobicContact CG2-CB 3.75Å; A568-H671 CarbonylContact O-C 3.51Å; A568-H671 VanDerWaalsContact O-CA 3.32Å; A568-H671 WeakPolarHBondContact O-CA 3.43Å
672	I	95.6	Very high	86.8	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	124.6	167.4	178	164.6	0	0	0	111.7	F372 T479 F485 T567 A568 V570 L674	F372-I672 HydrophobicContact CZ-CG2 4.29Å; T479-I672 WeakPolarHBondContact O-CD1 3.21Å; F485-I672 HydrophobicContact CB-CD1 4.21Å; T567-I672 PolarHBondContact OG1-O 2.97Å; A568-I672 HydrophobicContact CB-CG2 3.96Å; A568-I672 PolarHBondContact O-N 3.01Å; V570-I672 HydrophobicContact CG2-CG2 4.02Å; I672-L674 HydrophobicContact CD1-CD2 3.56Å; I672-L674 HydrophobicContact CD1-CG 4.38Å; I672-L674 HydrophobicContact CG1-CD2 3.8Å; I672-L674 HydrophobicContact CG1-CG 4.07Å; I672-L674 HydrophobicContact CG2-CD2 4.23Å; I672-L674 HydrophobicContact CG2-CG 4.17Å; I672-L674 PolarHBondContact O-N 3.48Å
673	R	94.4	Very high	84.8	Confident	64 Å²	64	42.4 Å²	42.4	24%	0.242	19%	0.191	C	C	.	.			trans	-83.2	87.6	173	-42.9	-168.3	-169.8	-172.3	1.5	108	S486 S487 L488 D498 I558	S486-R673 CarbonylContact C-O 3.47Å; S486-R673 WeakPolarHBondContact CA-O 3.24Å; S487-R673 PolarHBondContact N-O 3.14Å; S487-R673 WeakPolarHBondContact OG-CB 3.3Å; S487-R673 PolarHBondContact OG-O 3.11Å; S487-R673 VanDerWaalsContact OG-O 3.14Å; L488-R673 HydrophobicContact CD1-CG 4.42Å; L488-R673 HydrophobicContact CG-CG 4.31Å; D498-R673 IonicContact OD1-CZ 3.41Å; D498-R673 IonicContact OD1-NE 3.62Å; D498-R673 PolarHBondContact OD1-NE 3.18Å; D498-R673 IonicContact OD1-NH2 3.94Å; D498-R673 PolarHBondContact OD1-NH2 3.04Å; D498-R673 WeakPolarHBondContact OD2-CG 3.34Å; D498-R673 IonicContact OD2-CZ 2.77Å; D498-R673 IonicContact OD2-NE 3.68Å; D498-R673 PolarHBondContact OD2-NE 2.8Å; D498-R673 IonicContact OD2-NH2 2.76Å; D498-R673 PolarHBondContact OD2-NH2 2.86Å; I558-R673 HydrophobicContact CD1-CG 3.89Å
674	L	93.5	Very high	82.7	Confident	2 Å²	2	46 Å²	46	1%	0.01	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-68.4	135.8	-172.2	-70.1	166.5	0	0	0	112.3	F372 F485 A568 I672 Q676 Y677 H678	F372-L674 HydrophobicContact CB-CD1 3.7Å; F372-L674 HydrophobicContact CD1-CD1 3.71Å; F372-L674 HydrophobicContact CD2-CD1 3.57Å; F372-L674 HydrophobicContact CD2-CD2 4.15Å; F372-L674 HydrophobicContact CE1-CD1 4.16Å; F372-L674 HydrophobicContact CE2-CD1 4.01Å; F372-L674 HydrophobicContact CE2-CD2 4.26Å; F372-L674 HydrophobicContact CG-CD1 3.4Å; F372-L674 HydrophobicContact CZ-CD1 4.28Å; F485-L674 HydrophobicContact CB-CD2 3.76Å; F485-L674 HydrophobicContact CD2-CD2 4.4Å; F485-L674 WeakPolarHBondContact O-CA 3.39Å; A568-L674 HydrophobicContact CB-CD1 3.88Å; A568-L674 HydrophobicContact CB-CG 4.48Å; I672-L674 HydrophobicContact CD1-CD2 3.56Å; I672-L674 HydrophobicContact CD1-CG 4.38Å; I672-L674 HydrophobicContact CG1-CD2 3.8Å; I672-L674 HydrophobicContact CG1-CG 4.07Å; I672-L674 HydrophobicContact CG2-CD2 4.23Å; I672-L674 HydrophobicContact CG2-CG 4.17Å; I672-L674 PolarHBondContact O-N 3.48Å; L674-Q676 VanDerWaalsContact C-N 3.31Å; L674-Q676 HydrophobicContact CB-CG 3.98Å; L674-Q676 PolarHBondContact O-N 3.17Å; L674-Y677 HydrophobicContact CB-CD2 3.8Å; L674-Y677 HydrophobicContact CB-CE2 4.03Å; L674-Y677 HydrophobicContact CB-CG 4.07Å; L674-Y677 HydrophobicContact CD1-CD2 4.34Å; L674-Y677 HydrophobicContact CD1-CE1 4.3Å; L674-Y677 HydrophobicContact CD1-CE2 3.69Å; L674-Y677 HydrophobicContact CG-CD2 4.48Å; L674-Y677 HydrophobicContact CG-CE2 4.25Å; L674-Y677 WeakPolarHBondContact O-CB 3.39Å; L674-Y677 PolarHBondContact O-N 3.48Å; L674-Y677 VanDerWaalsContact O-N 3.11Å; L674-H678 PolarHBondContact O-CE1 3.45Å; L674-H678 PolarHBondContact O-ND1 3.43Å
675	K	92.1	Very high	80.7	Confident	89 Å²	89	52 Å²	52	39%	0.387	23%	0.233	S	C	.	.	H	α-helix	trans	-53	-46.2	177.4	-71.2	172.1	-172.3	176	0	112.5	T484 F485 S486 Y677 H678 Q679	T484-K675 WeakPolarHBondContact O-CE 3.01Å; T484-K675 PolarHBondContact O-NZ 2.72Å; F485-K675 WeakPolarHBondContact O-CG 3.09Å; F485-K675 PolarHBondContact O-N 3.04Å; S486-K675 WeakPolarHBondContact O-CE 3.48Å; K675-Y677 PolarHBondContact O-N 2.9Å; K675-Y677 VanDerWaalsContact O-N 3.12Å; K675-H678 PolarHBondContact O-N 3.38Å; K675-H678 VanDerWaalsContact O-N 3.09Å; K675-Q679 WeakPolarHBondContact O-CG 3.47Å; K675-Q679 PolarHBondContact O-N 2.9Å; K675-Q679 VanDerWaalsContact O-N 3.09Å
676	Q	88	Confident	78.4	Confident	75 Å²	75	57.1 Å²	57.1	35%	0.35	26%	0.256	S	S	.	.	H	α-helix	trans	-56.9	-27.3	-179.6	56.3	162.5	26.3	0	0	114.2	F372 L674 H678	F372-Q676 PolarHBondContact O-NE2 3.36Å; L674-Q676 VanDerWaalsContact C-N 3.31Å; L674-Q676 HydrophobicContact CB-CG 3.98Å; L674-Q676 PolarHBondContact O-N 3.17Å; Q676-H678 VanDerWaalsContact C-N 3.33Å
677	Y	84.9	Confident	76.4	Confident	8 Å²	8	61.8 Å²	61.8	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-73.2	-25.7	-179.3	-67.9	-16.6	0	0	0	113.1	E374 A568 R653 L674 K675	E374-Y677 HydrophobicContact CG-CE1 4.34Å; E374-Y677 WeakPolarHBondContact OE1-CE1 3.36Å; A568-Y677 HydrophobicContact CB-CE2 3.99Å; R653-Y677 HydrophobicContact CB-CE2 3.8Å; R653-Y677 HydrophobicContact CG-CD2 4.24Å; R653-Y677 HydrophobicContact CG-CE1 4.14Å; R653-Y677 HydrophobicContact CG-CE2 3.65Å; R653-Y677 PolarHBondContact N-OH 2.93Å; L674-Y677 HydrophobicContact CB-CD2 3.8Å; L674-Y677 HydrophobicContact CB-CE2 4.03Å; L674-Y677 HydrophobicContact CB-CG 4.07Å; L674-Y677 HydrophobicContact CD1-CD2 4.34Å; L674-Y677 HydrophobicContact CD1-CE1 4.3Å; L674-Y677 HydrophobicContact CD1-CE2 3.69Å; L674-Y677 HydrophobicContact CG-CD2 4.48Å; L674-Y677 HydrophobicContact CG-CE2 4.25Å; L674-Y677 WeakPolarHBondContact O-CB 3.39Å; L674-Y677 PolarHBondContact O-N 3.48Å; L674-Y677 VanDerWaalsContact O-N 3.11Å; K675-Y677 PolarHBondContact O-N 2.9Å; K675-Y677 VanDerWaalsContact O-N 3.12Å
678	H	74.3	Confident	74.4	Confident	45 Å²	45	68.5 Å²	68.5	21%	0.208	31%	0.31	C	S	.	.	H	α-helix	trans	-102.3	-31.5	-176.1	-51.9	85.5	0	0	0	111.7	L674 K675 Q676 Q680 E681 E682	L674-H678 PolarHBondContact O-CE1 3.45Å; L674-H678 PolarHBondContact O-ND1 3.43Å; K675-H678 PolarHBondContact O-N 3.38Å; K675-H678 VanDerWaalsContact O-N 3.09Å; Q676-H678 VanDerWaalsContact C-N 3.33Å; H678-Q680 PolarHBondContact O-N 2.85Å; H678-E681 WeakPolarHBondContact O-CA 3.5Å; H678-E681 WeakPolarHBondContact O-CB 3.48Å; H678-E681 PolarHBondContact O-N 2.82Å; H678-E682 PolarHBondContact O-N 3.24Å
679	Q	61.3	Low	72.6	Confident	88 Å²	88	75 Å²	75	41%	0.411	34%	0.34	S	S	.	.	H	α-helix	trans	-57.4	-23.5	176.8	-76.6	175.2	-2.4	0	0	114.2	K675 R683	K675-Q679 WeakPolarHBondContact O-CG 3.47Å; K675-Q679 PolarHBondContact O-N 2.9Å; K675-Q679 VanDerWaalsContact O-N 3.09Å; Q679-R683 WeakPolarHBondContact O-CB 3.3Å; Q679-R683 VanDerWaalsContact O-CG 3.26Å; Q679-R683 WeakPolarHBondContact O-CG 3.25Å; Q679-R683 PolarHBondContact O-N 2.73Å
680	Q	52.9	Low	71	Confident	91 Å²	91	80.7 Å²	80.7	43%	0.425	36%	0.364	S	S	.	.	H	α-helix	trans	-89.8	-8.6	176.4	-150.4	-167.8	76.5	0	0	113.2	H678 K684	H678-Q680 PolarHBondContact O-N 2.85Å; Q680-K684 WeakPolarHBondContact O-CD 3.28Å; Q680-K684 WeakPolarHBondContact O-CE 3.36Å; Q680-K684 VanDerWaalsContact O-CG 3.24Å; Q680-K684 WeakPolarHBondContact O-CG 3.34Å
681	E	54.3	Low	69.6	Low	78 Å²	78	86.1 Å²	86.1	36%	0.364	39%	0.388	S	S	.	.	H	α-helix	trans	-89.7	-51.4	167	-65.4	175.8	150.8	0	0	108.2	H678 R683 K684 E685	H678-E681 WeakPolarHBondContact O-CA 3.5Å; H678-E681 WeakPolarHBondContact O-CB 3.48Å; H678-E681 PolarHBondContact O-N 2.82Å; E681-R683 PolarHBondContact O-N 3.22Å; E681-R683 VanDerWaalsContact O-N 3.15Å; E681-K684 WeakPolarHBondContact O-CA 3.44Å; E681-K684 PolarHBondContact O-N 3.26Å; E681-E685 PolarHBondContact O-N 2.89Å
682	E	54.3	Low	68	Low	99 Å²	99	90.8 Å²	90.8	46%	0.463	41%	0.407	S	S	.	.	H	α-helix	trans	-50.8	-41	173.6	-67.5	175.3	165.9	0	0	112.6	H678 Q686	H678-E682 PolarHBondContact O-N 3.24Å; E682-Q686 WeakPolarHBondContact O-CB 3.39Å; E682-Q686 VanDerWaalsContact O-CD 3.3Å; E682-Q686 WeakPolarHBondContact O-CG 3.42Å; E682-Q686 PolarHBondContact O-N 3.43Å
683	R	54.7	Low	66.6	Low	162 Å²	162	94 Å²	94	61%	0.611	43%	0.43	S	S	*	.	H	α-helix	trans	-72	-30.7	175.1	-79.2	-177.2	-169.1	176.8	5.9	114.4	Q679 E681 E687	Q679-R683 WeakPolarHBondContact O-CB 3.3Å; Q679-R683 VanDerWaalsContact O-CG 3.26Å; Q679-R683 WeakPolarHBondContact O-CG 3.25Å; Q679-R683 PolarHBondContact O-N 2.73Å; E681-R683 PolarHBondContact O-N 3.22Å; E681-R683 VanDerWaalsContact O-N 3.15Å; R683-E687 VanDerWaalsContact O-CB 3.22Å; R683-E687 WeakPolarHBondContact O-CB 3.28Å; R683-E687 WeakPolarHBondContact O-CG 3.45Å; R683-E687 PolarHBondContact O-N 2.86Å
684	K	52.9	Low	65.4	Low	93 Å²	93	97.1 Å²	97.1	40%	0.404	45%	0.451	S	S	.	.	H	α-helix	trans	-74	-40.5	176.2	-74.8	170.8	-168.1	163.3	0	110.3	Q680 E681 E687 E688	Q680-K684 WeakPolarHBondContact O-CD 3.28Å; Q680-K684 WeakPolarHBondContact O-CE 3.36Å; Q680-K684 VanDerWaalsContact O-CG 3.24Å; Q680-K684 WeakPolarHBondContact O-CG 3.34Å; E681-K684 WeakPolarHBondContact O-CA 3.44Å; E681-K684 PolarHBondContact O-N 3.26Å; K684-E687 PolarHBondContact O-N 3.4Å; K684-E688 WeakPolarHBondContact O-CB 3.37Å; K684-E688 WeakPolarHBondContact O-CG 3.32Å; K684-E688 PolarHBondContact O-N 2.84Å
685	E	54.9	Low	64.1	Low	127 Å²	127	99.9 Å²	99.9	59%	0.593	47%	0.47	S	S	*	.	H	α-helix	trans	-61	-47.4	172.2	-67.1	174.8	163.8	0	0	110.4	E681 E688 E689	E681-E685 PolarHBondContact O-N 2.89Å; E685-E688 PolarHBondContact O-N 2.84Å; E685-E689 WeakPolarHBondContact O-CB 3.34Å; E685-E689 WeakPolarHBondContact O-CG 3.46Å; E685-E689 PolarHBondContact O-N 2.91Å
686	Q	51.4	Low	62.8	Low	106 Å²	106	101.1 Å²	101.1	50%	0.495	48%	0.477	S	S	.	.	H	α-helix	trans	-63.2	-41	173.9	-73.9	161.5	19.8	0	0	112.9	E682 E688 E689 E690	E682-Q686 WeakPolarHBondContact O-CB 3.39Å; E682-Q686 VanDerWaalsContact O-CD 3.3Å; E682-Q686 WeakPolarHBondContact O-CG 3.42Å; E682-Q686 PolarHBondContact O-N 3.43Å; Q686-E688 VanDerWaalsContact C-N 3.31Å; Q686-E688 PolarHBondContact O-N 3.34Å; Q686-E689 PolarHBondContact O-N 2.76Å; Q686-E690 VanDerWaalsContact O-CB 3.32Å; Q686-E690 WeakPolarHBondContact O-CB 3.49Å; Q686-E690 WeakPolarHBondContact O-CG 3.19Å; Q686-E690 PolarHBondContact O-N 2.8Å
687	E	55.8	Low	61.7	Low	99 Å²	99	100 Å²	100	46%	0.463	48%	0.481	S	S	.	.	H	α-helix	trans	-65.8	-31.2	174.3	-89.6	-169.7	-133	0	0	112.7	R683 K684 K691	R683-E687 VanDerWaalsContact O-CB 3.22Å; R683-E687 WeakPolarHBondContact O-CB 3.28Å; R683-E687 WeakPolarHBondContact O-CG 3.45Å; R683-E687 PolarHBondContact O-N 2.86Å; K684-E687 PolarHBondContact O-N 3.4Å; E687-K691 VanDerWaalsContact O-CB 3.28Å; E687-K691 WeakPolarHBondContact O-CB 3.06Å; E687-K691 WeakPolarHBondContact O-CD 3.13Å; E687-K691 WeakPolarHBondContact O-CE 3.41Å; E687-K691 WeakPolarHBondContact O-CG 3.41Å; E687-K691 PolarHBondContact O-N 3.17Å; E687-K691 IonicContact OE2-NZ 3.48Å; E687-K691 PolarHBondContact OE2-NZ 2.96Å
688	E	56.4	Low	60.8	Low	140 Å²	140	105.4 Å²	105.4	65%	0.654	51%	0.51	S	S	*	.	H	α-helix	trans	-78.6	-38.4	175.3	-75.5	-174.1	-175.4	0	0	111.7	K684 E685 Q686 K691 F692	K684-E688 WeakPolarHBondContact O-CB 3.37Å; K684-E688 WeakPolarHBondContact O-CG 3.32Å; K684-E688 PolarHBondContact O-N 2.84Å; E685-E688 PolarHBondContact O-N 2.84Å; Q686-E688 VanDerWaalsContact C-N 3.31Å; Q686-E688 PolarHBondContact O-N 3.34Å; E688-K691 PolarHBondContact O-N 3.17Å; E688-F692 VanDerWaalsContact O-CB 3.27Å; E688-F692 WeakPolarHBondContact O-CB 3.41Å; E688-F692 PolarHBondContact O-N 2.83Å
689	E	59.2	Low	59.9	Low	136 Å²	136	108.9 Å²	108.9	64%	0.636	53%	0.526	S	S	*	.	H	α-helix	trans	-64	-41.6	170	-73.6	-170.6	151.8	0	0	112	E685 Q686 F692 S693	E685-E689 WeakPolarHBondContact O-CB 3.34Å; E685-E689 WeakPolarHBondContact O-CG 3.46Å; E685-E689 PolarHBondContact O-N 2.91Å; Q686-E689 PolarHBondContact O-N 2.76Å; E689-F692 PolarHBondContact O-N 3.34Å; E689-S693 VanDerWaalsContact O-CB 3.32Å; E689-S693 WeakPolarHBondContact O-CB 3.01Å; E689-S693 PolarHBondContact O-N 2.85Å; E689-S693 PolarHBondContact O-OG 2.55Å
690	E	65.5	Low	59.7	Low	136 Å²	136	112.2 Å²	112.2	64%	0.636	54%	0.535	S	S	*	.	H	α-helix	trans	-66.5	-41.8	173.7	-78.5	-169.8	169.8	0	0	111.7	Q686 F692 S693 L694	Q686-E690 VanDerWaalsContact O-CB 3.32Å; Q686-E690 WeakPolarHBondContact O-CB 3.49Å; Q686-E690 WeakPolarHBondContact O-CG 3.19Å; Q686-E690 PolarHBondContact O-N 2.8Å; E690-F692 VanDerWaalsContact C-N 3.34Å; E690-F692 PolarHBondContact O-N 2.85Å; E690-S693 PolarHBondContact O-N 2.8Å; E690-L694 WeakPolarHBondContact O-CB 3.35Å; E690-L694 PolarHBondContact O-N 3.48Å
691	K	68.8	Low	60.2	Low	119 Å²	119	111.8 Å²	111.8	52%	0.517	54%	0.538	S	S	.	.	H	α-helix	trans	-65.1	-37.3	174.4	-75.3	160.9	-159.4	152.1	0	111.9	E687 E688 S695	E687-K691 VanDerWaalsContact O-CB 3.28Å; E687-K691 WeakPolarHBondContact O-CB 3.06Å; E687-K691 WeakPolarHBondContact O-CD 3.13Å; E687-K691 WeakPolarHBondContact O-CE 3.41Å; E687-K691 WeakPolarHBondContact O-CG 3.41Å; E687-K691 PolarHBondContact O-N 3.17Å; E687-K691 IonicContact OE2-NZ 3.48Å; E687-K691 PolarHBondContact OE2-NZ 2.96Å; E688-K691 PolarHBondContact O-N 3.17Å; K691-S695 VanDerWaalsContact O-CB 3.29Å; K691-S695 WeakPolarHBondContact O-CB 3.3Å; K691-S695 PolarHBondContact O-N 2.81Å
692	F	62.4	Low	60.1	Low	149 Å²	149	114 Å²	114	65%	0.654	55%	0.547	S	S	*	.	H	α-helix	trans	-64.6	-45.4	173.8	-163.6	-87.5	0	0	0	110.7	E688 E689 E690 L694 S695 E696	E688-F692 VanDerWaalsContact O-CB 3.27Å; E688-F692 WeakPolarHBondContact O-CB 3.41Å; E688-F692 PolarHBondContact O-N 2.83Å; E689-F692 PolarHBondContact O-N 3.34Å; E690-F692 VanDerWaalsContact C-N 3.34Å; E690-F692 PolarHBondContact O-N 2.85Å; F692-L694 PolarHBondContact O-N 3.03Å; F692-S695 WeakPolarHBondContact O-CB 3.45Å; F692-S695 PolarHBondContact O-N 2.81Å; F692-E696 WeakPolarHBondContact O-CB 3.31Å; F692-E696 PolarHBondContact O-N 2.88Å
693	S	67.3	Low	59.8	Low	69 Å²	69	115.6 Å²	115.6	48%	0.483	55%	0.554	S	S	.	*	H	α-helix	trans	-63	-41.2	176.8	-57	0	0	0	0	112.7	E689 E690 E696 A697	E689-S693 VanDerWaalsContact O-CB 3.32Å; E689-S693 WeakPolarHBondContact O-CB 3.01Å; E689-S693 PolarHBondContact O-N 2.85Å; E689-S693 PolarHBondContact O-OG 2.55Å; E690-S693 PolarHBondContact O-N 2.8Å; S693-E696 PolarHBondContact O-N 3.35Å; S693-A697 WeakPolarHBondContact O-CB 3.49Å; S693-A697 PolarHBondContact O-N 2.86Å
694	L	68.6	Low	59.7	Low	129 Å²	129	114.3 Å²	114.3	68%	0.675	56%	0.555	S	S	*	*	H	α-helix	trans	-67.1	-38.8	175.3	-109.7	166.9	0	0	0	112	E690 F692 L698	E690-L694 WeakPolarHBondContact O-CB 3.35Å; E690-L694 PolarHBondContact O-N 3.48Å; F692-L694 PolarHBondContact O-N 3.03Å; L694-L698 WeakPolarHBondContact O-CB 3.09Å; L694-L698 PolarHBondContact O-N 3.41Å
695	S	65.3	Low	59.5	Low	59 Å²	59	116.4 Å²	116.4	41%	0.413	57%	0.566	S	S	.	*	H	α-helix	trans	-63.3	-47.9	173.6	-171.4	0	0	0	0	111	K691 F692 A697 L698 H699	K691-S695 VanDerWaalsContact O-CB 3.29Å; K691-S695 WeakPolarHBondContact O-CB 3.3Å; K691-S695 PolarHBondContact O-N 2.81Å; F692-S695 WeakPolarHBondContact O-CB 3.45Å; F692-S695 PolarHBondContact O-N 2.81Å; S695-A697 PolarHBondContact O-N 2.62Å; S695-L698 PolarHBondContact O-N 3.35Å; S695-H699 WeakPolarHBondContact O-CB 3.47Å; S695-H699 PolarHBondContact O-CD2 3.08Å; S695-H699 PolarHBondContact O-N 2.94Å
696	E	65.5	Low	59.1	Low	115 Å²	115	116.2 Å²	116.2	54%	0.537	57%	0.57	S	S	.	*	H	α-helix	trans	-63.3	-40.2	178.3	-170.7	169.5	-164.4	0	0	111.9	F692 S693 H699 R700	F692-E696 WeakPolarHBondContact O-CB 3.31Å; F692-E696 PolarHBondContact O-N 2.88Å; S693-E696 PolarHBondContact O-N 3.35Å; E696-H699 PolarHBondContact O-N 3.48Å; E696-R700 WeakPolarHBondContact O-CG 3.11Å; E696-R700 PolarHBondContact O-N 3.16Å
697	A	65.9	Low	59	Low	52 Å²	52	116.9 Å²	116.9	43%	0.43	58%	0.581	S	S	.	*	H	α-helix	trans	-61.6	-46.3	172.5	0	0	0	0	0	112.4	S693 S695 H699 R700 V701	S693-A697 WeakPolarHBondContact O-CB 3.49Å; S693-A697 PolarHBondContact O-N 2.86Å; S695-A697 PolarHBondContact O-N 2.62Å; A697-H699 VanDerWaalsContact C-N 3.32Å; A697-H699 PolarHBondContact O-N 3.23Å; A697-R700 PolarHBondContact O-N 2.9Å; A697-V701 PolarHBondContact O-N 3.09Å; A697-V701 VanDerWaalsContact O-N 3.09Å
698	L	64.4	Low	58.5	Low	122 Å²	122	121.2 Å²	121.2	64%	0.639	60%	0.601	S	S	*	*	H	α-helix	trans	-64.4	-36.4	177.6	-175.1	64.4	0	0	0	112.2	L694 S695 K702	L694-L698 WeakPolarHBondContact O-CB 3.09Å; L694-L698 PolarHBondContact O-N 3.41Å; S695-L698 PolarHBondContact O-N 3.35Å; L698-K702 PolarHBondContact O-N 3.41Å
699	H	56.7	Low	58.1	Low	118 Å²	118	123.3 Å²	123.3	55%	0.546	61%	0.611	S	S	.	*	H	α-helix	trans	-68.1	-32.7	174.4	-85.8	-66.6	0	0	0	113.1	S695 E696 A697 Q703	S695-H699 WeakPolarHBondContact O-CB 3.47Å; S695-H699 PolarHBondContact O-CD2 3.08Å; S695-H699 PolarHBondContact O-N 2.94Å; E696-H699 PolarHBondContact O-N 3.48Å; A697-H699 VanDerWaalsContact C-N 3.32Å; A697-H699 PolarHBondContact O-N 3.23Å; H699-Q703 WeakPolarHBondContact O-CG 3.47Å; H699-Q703 PolarHBondContact O-N 3.46Å
700	R	56.3	Low	57.1	Low	157 Å²	157	126.5 Å²	126.5	59%	0.592	63%	0.625	S	S	*	*	H	α-helix	trans	-70.7	-44.4	174	-74.3	-174.6	63.7	-178.1	-3.4	112.7	E696 A697 K702 Q703 E704	E696-R700 WeakPolarHBondContact O-CG 3.11Å; E696-R700 PolarHBondContact O-N 3.16Å; A697-R700 PolarHBondContact O-N 2.9Å; R700-K702 VanDerWaalsContact C-N 3.27Å; R700-K702 PolarHBondContact O-N 2.71Å; R700-Q703 PolarHBondContact O-N 2.87Å; R700-Q703 VanDerWaalsContact O-N 3.1Å; R700-E704 PolarHBondContact O-N 3.04Å; R700-E704 VanDerWaalsContact O-N 3.12Å
701	V	63.2	Low	55.5	Low	82 Å²	82	123.1 Å²	123.1	50%	0.497	63%	0.627	S	S	.	*	H	α-helix	trans	-56.6	-43.2	176.3	174.2	0	0	0	0	111	A697 Q703 E704 E705	A697-V701 PolarHBondContact O-N 3.09Å; A697-V701 VanDerWaalsContact O-N 3.09Å; V701-Q703 PolarHBondContact O-N 3.37Å; V701-E704 PolarHBondContact O-N 3.16Å; V701-E705 PolarHBondContact O-N 3.44Å
702	K	52.5	Low	53.8	Low	126 Å²	126	124.2 Å²	124.2	55%	0.548	64%	0.638	S	S	.	*	H	α-helix	trans	-65.2	-36.9	175.6	-92.6	-161.9	165.2	-154.6	0	114.8	L698 R700 E704 E705 D706	L698-K702 PolarHBondContact O-N 3.41Å; R700-K702 VanDerWaalsContact C-N 3.27Å; R700-K702 PolarHBondContact O-N 2.71Å; K702-E704 PolarHBondContact O-N 2.81Å; K702-E705 PolarHBondContact O-N 2.73Å; K702-D706 PolarHBondContact O-N 3.08Å
703	Q	49	Very low	52.3	Low	132 Å²	132	126.2 Å²	126.2	62%	0.617	65%	0.647	S	S	*	*	H	α-helix	trans	-69.2	-20.2	175.6	-74.6	-179.2	11.1	0	0	113	H699 R700 V701 V707	H699-Q703 WeakPolarHBondContact O-CG 3.47Å; H699-Q703 PolarHBondContact O-N 3.46Å; R700-Q703 PolarHBondContact O-N 2.87Å; R700-Q703 VanDerWaalsContact O-N 3.1Å; V701-Q703 PolarHBondContact O-N 3.37Å; Q703-V707 WeakPolarHBondContact O-CG2 3.18Å
704	E	50.9	Low	50.4	Low	134 Å²	134	128.1 Å²	128.1	63%	0.626	66%	0.659	S	S	*	*	H	α-helix	trans	-83.1	-21.8	173.3	-69.2	172.1	-164.4	0	0	111.9	R700 V701 K702	R700-E704 PolarHBondContact O-N 3.04Å; R700-E704 VanDerWaalsContact O-N 3.12Å; V701-E704 PolarHBondContact O-N 3.16Å; K702-E704 PolarHBondContact O-N 2.81Å
705	E	50.2	Low	48.8	Very low	138 Å²	138	129 Å²	129	65%	0.645	66%	0.664	S	S	*	*	H	α-helix	trans	-83.2	-42.4	171.3	-66.5	-178.7	143.8	0	0	112.9	V701 K702 V707	V701-E705 PolarHBondContact O-N 3.44Å; K702-E705 PolarHBondContact O-N 2.73Å; E705-V707 PolarHBondContact O-N 2.78Å; E705-V707 VanDerWaalsContact O-N 3.17Å
706	D	46.9	Very low	47.1	Very low	123 Å²	123	135.4 Å²	135.4	66%	0.658	69%	0.685	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-9.7	-175.6	-74.5	-30.8	0	0	0	114.3	K702	K702-D706 PolarHBondContact O-N 3.08Å
707	V	47.8	Very low	45.4	Very low	120 Å²	120	133.9 Å²	133.9	73%	0.727	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	-14.5	-170.9	163.8	0	0	0	0	114.6	Q703 E705	Q703-V707 WeakPolarHBondContact O-CG2 3.18Å; E705-V707 PolarHBondContact O-N 2.78Å; E705-V707 VanDerWaalsContact O-N 3.17Å
708	E	46.8	Very low	43.8	Very low	190 Å²	190	136.9 Å²	136.9	89%	0.888	71%	0.705	S	S	*	*	S	Bend	trans	-87.3	-13.3	-178.8	-65.6	-130.2	135.7	0	0	115
709	E	47.8	Very low	42.2	Very low	184 Å²	184	139 Å²	139	86%	0.86	71%	0.712	S	S	*	*	S	Bend	trans	-104.4	-31.5	-165.3	-149.5	174.6	-153.6	0	0	117.2	G711	E709-G711 PolarHBondContact O-N 3.14Å
710	E	37.4	Very low	40.9	Very low	203 Å²	203	138.6 Å²	138.6	95%	0.949	72%	0.717	S	S	*	*			trans	-90.4	87.1	-176.8	-79.2	-144.5	122.3	0	0	114.8
711	G	31.6	Very low	39.6	Very low	64 Å²	64	136.5 Å²	136.5	66%	0.66	72%	0.722	S	S	*	*			trans	-131.1	41.6	179.7	0	0	0	0	0	116.8	E709	E709-G711 PolarHBondContact O-N 3.14Å
712	N	33.5	Very low	38	Very low	142 Å²	142	143.4 Å²	143.4	76%	0.759	74%	0.739	S	S	*	*			trans	-157.9	120.4	172.3	-107.7	-69.7	0	0	0	118.3
713	K	30.2	Very low	36.9	Very low	191 Å²	191	146 Å²	146	83%	0.83	75%	0.75	S	S	*	*			trans	81.7	154.9	146	-71.4	174.3	-178.5	177.1	0	122.5
714	C	28.6	Very low	35.9	Very low	110 Å²	110	144 Å²	144	74%	0.743	75%	0.747	S	S	*	*			trans	-142.7	-177	-166.3	-53.1	0	0	0	0	112.4
715	D	34.5	Very low	34.7	Very low	146 Å²	146	145.3 Å²	145.3	78%	0.781	75%	0.753	S	S	*	*			trans	75.2	149.1	158.4	-59.3	-32	0	0	0	118.4
716	F	29.2	Very low	33.5	Very low	195 Å²	195	145.9 Å²	145.9	86%	0.855	76%	0.76	S	S	*	*			cis	-153.8	-175.4	1.2	-147.4	-114.9	0	0	0	111.5
717	A	30.1	Very low	32.7	Very low	82 Å²	82	148.9 Å²	148.9	68%	0.678	77%	0.77	S	S	*	*			trans	-144.3	-172	-175.9	0	0	0	0	0	113.6
718	V	31.5	Very low	31.6	Very low	116 Å²	116	150.3 Å²	150.3	70%	0.703	77%	0.774	S	S	*	*			cis	-168.3	158.7	20.1	67.5	0	0	0	0	114.1
719	Q	32.1	Very low	30.7	Very low	167 Å²	167	149 Å²	149	78%	0.78	77%	0.77	S	S	*	*			trans	69	176.5	158.4	-97	179.4	110.9	0	0	119.4
720	T	28.5	Very low	29.8	Very low	108 Å²	108	149.7 Å²	149.7	66%	0.663	77%	0.773	S	S	*	*			cis	-160	164	17.8	-14	0	0	0	0	114.8
721	V	29.3	Very low	29.6	Very low	114 Å²	114	142.9 Å²	142.9	69%	0.691	76%	0.758	S	S	*	*			trans	75.3	111.6	148.5	170.1	0	0	0	0	123.8
722	R	30.5	Very low	29.4	Very low	227 Å²	227	148.5 Å²	148.5	86%	0.857	76%	0.759	S	S	*	*			trans	45.4	150.6	130.9	-55	-179.3	175.3	157.9	-0.9	122
723	K	28.1	Very low	29	Very low	180 Å²	180	148.2 Å²	148.2	78%	0.783	75%	0.753	S	S	*	*			cis	-166.3	153.7	3.1	-135.9	-159	163.1	-146.3	0	113.1
724	V	28.7	Very low	28.8	Very low	91 Å²	91	145.2 Å²	145.2	55%	0.552	74%	0.742	S	S	*	*			trans	85.4	124.8	140.1	147.7	0	0	0	0	123.6
725	E	25.8	Very low	28.9	Very low	160 Å²	160	144.2 Å²	144.2	75%	0.748	74%	0.742	S	S	*	*			trans	69.1	127.5	150.2	-75.5	142.2	-130.7	0	0	125.1
726	D	25.6	Very low	28.8	Very low	150 Å²	150	142.8 Å²	142.8	80%	0.802	74%	0.74	S	S	*	*			trans	73.4	147.3	149.7	-66.9	-7.5	0	0	0	125.7
727	E	28.4	Very low	28.5	Very low	186 Å²	186	137.9 Å²	137.9	87%	0.869	73%	0.73	S	S	*	*			trans	70.9	161.8	170.3	-56.9	-148.6	149.8	0	0	121.5
728	D	26.3	Very low	28.3	Very low	151 Å²	151	142.5 Å²	142.5	81%	0.807	74%	0.738	S	S	*	*			trans	-86.9	175.6	-158.1	-65.3	-90.6	0	0	0	115.7
729	M	28.1	Very low	27.9	Very low	163 Å²	163	142.2 Å²	142.2	80%	0.803	74%	0.736	S	S	*	*			trans	70	75.4	147.2	-102.6	-118.5	58	0	0	119.4
730	E	28.4	Very low	27.5	Very low	197 Å²	197	141.3 Å²	141.3	92%	0.921	74%	0.736	S	S	*	*			trans	-159	143.7	135.8	-113.3	172.4	-159.1	0	0	108.3
731	G	33.6	Very low	27.4	Very low	61 Å²	61	140.7 Å²	140.7	63%	0.629	73%	0.732	S	S	*	*			cis	-164.2	-178.7	-6.5	0	0	0	0	0	108.5
732	R	27.4	Very low	27.3	Very low	182 Å²	182	142.9 Å²	142.9	69%	0.687	74%	0.735	S	S	*	*			cis	53.4	130.6	27	-116.4	-156.1	156.1	-155.3	-4.1	111.7	E734	R732-E734 IonicContact CZ-OE2 2.75Å; R732-E734 IonicContact NE-OE2 3.99Å; R732-E734 PolarHBondContact NE-OE2 2.74Å; R732-E734 IonicContact NH2-OE1 2.72Å; R732-E734 PolarHBondContact NH2-OE1 2.85Å; R732-E734 IonicContact NH2-OE2 3.39Å; R732-E734 PolarHBondContact NH2-OE2 2.98Å
733	E	25.4	Very low	27.1	Very low	135 Å²	135	138.4 Å²	138.4	63%	0.631	72%	0.723	S	S	*	*			cis	-133.2	148.5	21.4	-92.5	175.6	-157.1	0	0	110.9
734	E	24.5	Very low	26.9	Very low	129 Å²	129	137.1 Å²	137.1	60%	0.603	72%	0.718	S	S	*	*				50.8	104	86.5	-65.7	168.6	69.7	0	0	112.8	R732	R732-E734 IonicContact CZ-OE2 2.75Å; R732-E734 IonicContact NE-OE2 3.99Å; R732-E734 PolarHBondContact NE-OE2 2.74Å; R732-E734 IonicContact NH2-OE1 2.72Å; R732-E734 PolarHBondContact NH2-OE1 2.85Å; R732-E734 IonicContact NH2-OE2 3.39Å; R732-E734 PolarHBondContact NH2-OE2 2.98Å
735	A	31.4	Very low	26.7	Very low	89 Å²	89	139.4 Å²	139.4	74%	0.736	72%	0.72	S	S	*	*				84.4	-171.8	109.9	0	0	0	0	0	111.2
736	P	31.2	Very low	26.7	Very low	115 Å²	115	138 Å²	138	75%	0.747	71%	0.714	S	S	*	*			cis	-90.5	158.6	-21.5	-0.1	24	0	0	0	111.9
737	S	23.3	Very low	26.7	Very low	92 Å²	92	138.9 Å²	138.9	64%	0.643	71%	0.713	S	S	*	*				66.1	125.8	66.8	-47.4	0	0	0	0	115.3
738	Q	25.8	Very low	26.8	Very low	179 Å²	179	139 Å²	139	84%	0.836	71%	0.714	S	S	*	*			trans	68.9	159.9	157.8	-59.3	161.2	21	0	0	115.1
739	T	23.2	Very low	26.9	Very low	110 Å²	110	140.9 Å²	140.9	68%	0.675	72%	0.718	S	S	*	*			cis	-142.7	159	2.4	-15.9	0	0	0	0	107.4
740	L	24.6	Very low	26.8	Very low	149 Å²	149	140.9 Å²	140.9	78%	0.78	72%	0.721	S	S	*	*				-162.1	123.7	73.8	-146.8	70	0	0	0	111.1
741	T	25.4	Very low	26.8	Very low	95 Å²	95	134.6 Å²	134.6	58%	0.583	71%	0.709	S	S	*	*			trans	29.5	149.9	140.5	71	0	0	0	0	122
742	H	28.8	Very low	26.4	Very low	159 Å²	159	139.6 Å²	139.6	74%	0.736	72%	0.716	S	S	*	*			cis	-139.4	136.8	33	-122.4	-110.8	0	0	0	109.1
743	H	25.1	Very low	26.4	Very low	134 Å²	134	138.6 Å²	138.6	62%	0.62	72%	0.719	S	S	*	*				60.2	133.6	89.5	-104.5	-117.6	0	0	0	113.8
744	F	23.4	Very low	26.5	Very low	153 Å²	153	139.9 Å²	139.9	67%	0.671	73%	0.725	S	S	*	*			cis	-172.3	163.2	4.6	-148.6	-136	0	0	0	111.7
745	K	25.5	Very low	26.9	Very low	138 Å²	138	141.2 Å²	141.2	60%	0.6	73%	0.733	S	S	*	*			trans	65.4	138.3	160.7	-87.4	-173.3	178.6	-78.6	0	117.6
746	E	24.6	Very low	26.7	Very low	130 Å²	130	145.4 Å²	145.4	61%	0.607	74%	0.735	S	S	*	*				62.1	145.5	87.4	-63.6	166.3	-151.9	0	0	113.7
747	E	27.2	Very low	26.6	Very low	170 Å²	170	148 Å²	148	79%	0.794	74%	0.737	S	S	*	*			cis	-145.7	-165.9	13.3	-142.2	157.1	-162.9	0	0	112
748	E	28.8	Very low	26.7	Very low	188 Å²	188	151.8 Å²	151.8	88%	0.879	75%	0.749	S	S	*	*			trans	-77.5	140.4	172.7	-59	176.4	117.2	0	0	111.6
749	E	29.2	Very low	27	Very low	191 Å²	191	151.8 Å²	151.8	89%	0.893	75%	0.754	S	S	*	*			trans	-157.9	119.8	139.5	-124	176.7	177.8	0	0	112.9
750	D	26.5	Very low	27	Very low	163 Å²	163	150.2 Å²	150.2	87%	0.872	76%	0.759	S	S	*	*			trans	20.4	166.3	135.9	-146.9	0.8	0	0	0	122.8
751	G	28	Very low	27.1	Very low	65 Å²	65	149.8 Å²	149.8	67%	0.67	76%	0.763	S	S	*	*			trans	127.2	83.6	158.7	0	0	0	0	0	118
752	Q	26	Very low	27.2	Very low	166 Å²	166	152.6 Å²	152.6	78%	0.776	77%	0.77	S	S	*	*			trans	-1.9	135.7	144.8	-69.1	-166.1	-86.3	0	0	119.6
753	E	26.9	Very low	27.7	Very low	161 Å²	161	150.7 Å²	150.7	75%	0.752	77%	0.772	S	S	*	*				90.7	160.3	57.8	-165.7	175.4	-136.7	0	0	113.5
754	E	27.2	Very low	28	Very low	161 Å²	161	151.6 Å²	151.6	75%	0.752	78%	0.78	S	S	*	*			trans	66.5	128.5	-167.3	-57.6	-152.8	126.7	0	0	115.8
755	M	32.1	Very low	29.3	Very low	157 Å²	157	150.1 Å²	150.1	77%	0.773	79%	0.786	S	S	*	*			cis	79	102.1	31.4	-169.4	-178.4	158.5	0	0	115.4
756	K	28.5	Very low	29.2	Very low	177 Å²	177	150.8 Å²	150.8	77%	0.77	80%	0.795	S	S	*	*			trans	-159.5	125.8	142.6	-115.2	176.9	-164.3	78.4	0	113.2
757	E	28.2	Very low	29.3	Very low	171 Å²	171	150.1 Å²	150.1	80%	0.799	80%	0.8	S	S	*	*			trans	-76.6	149.7	156.5	-60.4	172.7	103.2	0	0	109.7
758	L	26.6	Very low	29.2	Very low	171 Å²	171	150 Å²	150	90%	0.895	80%	0.8	S	S	*	*			trans	-149.2	129.8	148.8	-91.6	-175.5	0	0	0	110.5
759	L	31.3	Very low	29.2	Very low	178 Å²	178	146.9 Å²	146.9	93%	0.932	79%	0.789	S	S	*	*			trans	-92.1	143.8	165.4	-79.3	164	0	0	0	109.6
760	G	23.9	Very low	29.2	Very low	77 Å²	77	146 Å²	146	79%	0.794	79%	0.785	S	S	*	*			trans	-145.6	129.5	-178.9	0	0	0	0	0	112.9
761	T	26.4	Very low	29.2	Very low	141 Å²	141	143.1 Å²	143.1	87%	0.865	78%	0.777	S	S	*	*			trans	-84	157	-164.4	-43.8	0	0	0	0	115.1
762	Q	28	Very low	29.2	Very low	153 Å²	153	149.2 Å²	149.2	72%	0.715	79%	0.788	S	S	*	*			trans	-35	155.2	157.7	-72.9	-85.5	9.1	0	0	114.6
763	P	39.3	Very low	29.1	Very low	120 Å²	120	150 Å²	150	78%	0.779	79%	0.792	S	S	*	*			cis	-151.6	-170.3	49.2	42.5	-20.1	0	0	0	119.5
764	L	30.4	Very low	29.2	Very low	153 Å²	153	148.4 Å²	148.4	80%	0.801	79%	0.793	S	S	*	*			trans	-68.1	-176.5	177	-48.1	161.4	0	0	0	114.7
765	P	51.5	Low	29	Very low	121 Å²	121	145.7 Å²	145.7	79%	0.786	79%	0.787	S	S	*	*			cis	-136.9	-142.6	-6.2	42.7	-21.5	0	0	0	113.8
766	L	23	Very low	28.6	Very low	153 Å²	153	147.6 Å²	147.6	80%	0.801	79%	0.791	S	S	*	*			trans	96.3	110.1	165.3	-145.6	71.1	0	0	0	115.3
767	V	26.1	Very low	29.1	Very low	116 Å²	116	144.2 Å²	144.2	70%	0.703	79%	0.79	S	S	*	*				70.4	126.7	66.7	175.9	0	0	0	0	110.8
768	Q	26.3	Very low	29	Very low	168 Å²	168	142 Å²	142	79%	0.785	79%	0.791	S	S	*	*				-164.5	-164	54.8	-150.5	157.3	-0.3	0	0	113.5
769	N	28.1	Very low	28.7	Very low	121 Å²	121	140.5 Å²	140.5	65%	0.647	79%	0.789	S	S	*	*			trans	79.3	136.3	153.7	-78.4	34.3	0	0	0	118.8
770	E	28.2	Very low	28.7	Very low	173 Å²	173	136.8 Å²	136.8	81%	0.808	78%	0.778	S	S	*	*			cis	-141.5	-173.3	-4.6	-55.6	-161.2	169.2	0	0	112.8
771	S	28	Very low	28.9	Very low	102 Å²	102	141.9 Å²	141.9	71%	0.713	78%	0.783	S	S	*	*			trans	-92.2	144.4	-164.6	49.4	0	0	0	0	117.5
772	E	26.7	Very low	28.7	Very low	193 Å²	193	143 Å²	143	90%	0.902	78%	0.778	S	S	*	*			trans	26.2	124.3	137.2	-54.4	-175.5	139.1	0	0	121.5
773	E	24.9	Very low	28.8	Very low	183 Å²	183	143 Å²	143	86%	0.855	78%	0.781	S	S	*	*			trans	-145.6	138.9	134.7	-156.4	169.6	-150.3	0	0	113.2
774	V	27.7	Very low	28.4	Very low	127 Å²	127	144.7 Å²	144.7	77%	0.77	78%	0.777	S	S	*	*			trans	-15.2	117.8	165.7	-174.2	0	0	0	0	115.4
775	V	24.5	Very low	28.3	Very low	105 Å²	105	142.1 Å²	142.1	64%	0.636	77%	0.767	S	S	*	*			cis	66.9	82.4	45.4	-163.8	0	0	0	0	115.4
776	F	23.8	Very low	27.5	Very low	197 Å²	197	144.7 Å²	144.7	86%	0.864	77%	0.769	S	S	*	*				179	151.5	116.2	-100.7	-65.3	0	0	0	113.7
777	S	38.8	Very low	28.2	Very low	105 Å²	105	145.2 Å²	145.2	73%	0.734	77%	0.767	S	S	*	*			trans	-91.7	150.5	178.6	55.4	0	0	0	0	113.9
778	P	25.8	Very low	28.6	Very low	126 Å²	126	146.3 Å²	146.3	82%	0.818	77%	0.768	S	S	*	*			trans	-118.5	159.8	160	37.5	-28	0	0	0	114.9
779	T	20.9	Very low	28.9	Very low	139 Å²	139	145.8 Å²	145.8	85%	0.853	77%	0.766	S	S	*	*			trans	-76.7	166.8	-179.5	-43.2	0	0	0	0	113.2
780	S	30.8	Very low	29.1	Very low	100 Å²	100	147.6 Å²	147.6	70%	0.699	77%	0.77	S	S	*	*			trans	-66.5	173.7	166	-44	0	0	0	0	114.2
781	M	27.7	Very low	29.3	Very low	184 Å²	184	145 Å²	145	91%	0.906	76%	0.762	S	S	*	*			trans	94.9	107.5	160.8	-53.3	-174.8	-176.8	0	0	119.2
782	E	23.4	Very low	29.6	Very low	163 Å²	163	150 Å²	150	76%	0.762	77%	0.765	S	S	*	*				-148	155	107	-90.3	-160.1	133.3	0	0	105.9
783	I	29.3	Very low	29.8	Very low	153 Å²	153	150.1 Å²	150.1	79%	0.785	76%	0.763	S	S	*	*			cis	-134.4	125.5	48.1	-72.2	169	0	0	0	108
784	K	31.2	Very low	30.1	Very low	156 Å²	156	145.1 Å²	145.1	68%	0.678	76%	0.76	S	S	*	*				65.7	135.1	89.3	-112.4	-177.2	-178.7	172.9	0	113.4
785	V	27.7	Very low	30.2	Very low	100 Å²	100	143.2 Å²	143.2	61%	0.606	77%	0.766	S	S	*	*			cis	-150.3	150.4	18.9	-158.9	0	0	0	0	110.4
786	E	35.6	Very low	30.5	Very low	175 Å²	175	143 Å²	143	82%	0.818	78%	0.776	S	S	*	*			trans	52.9	136.3	153.8	-78.7	148.7	-152.5	0	0	120.6
787	E	36.2	Very low	30.8	Very low	164 Å²	164	141.7 Å²	141.7	77%	0.766	77%	0.772	S	S	*	*			cis	-145.3	153.9	0.3	-100.8	-169.6	141.7	0	0	107.6
788	L	35.2	Very low	30.4	Very low	139 Å²	139	141.4 Å²	141.4	73%	0.728	77%	0.766	S	S	*	*			cis	-146.1	175.9	18.2	-109.9	145	0	0	0	111.2
789	Q	32.8	Very low	30.4	Very low	157 Å²	157	141 Å²	141	73%	0.734	76%	0.757	S	S	*	*			trans	-87.9	-178.2	-163.9	-60	159.9	-106.8	0	0	115.2
790	E	32.5	Very low	30.9	Very low	159 Å²	159	140.9 Å²	140.9	74%	0.743	75%	0.747	S	S	*	*			cis	-163.4	156	17.8	-148.9	163.4	-137.6	0	0	116.8
791	D	32.7	Very low	30.6	Very low	118 Å²	118	145 Å²	145	63%	0.631	75%	0.747	S	S	*	*			trans	65.3	127.3	149.5	-110.7	8.7	0	0	0	130
792	R	33.1	Very low	30.5	Very low	206 Å²	206	142.8 Å²	142.8	78%	0.777	74%	0.738	S	S	*	*			trans	73	108.9	132.7	-85.8	173.1	-159.1	-163.5	-3.7	127.8
793	K	32.3	Very low	30.6	Very low	197 Å²	197	139.7 Å²	139.7	86%	0.857	74%	0.741	S	S	*	*				74.2	95.7	108.5	-153.9	-175.9	-168.6	-171.6	0	122.6
794	G	29.3	Very low	30.3	Very low	78 Å²	78	135.8 Å²	135.8	80%	0.804	74%	0.738	S	S	*	*				81.2	152.9	106.8	0	0	0	0	0	122.5
795	G	30.3	Very low	30.1	Very low	87 Å²	87	138 Å²	138	90%	0.897	74%	0.742	S	S	*	*			trans	102.8	133	155.8	0	0	0	0	0	117
796	A	31.2	Very low	30	Very low	100 Å²	100	139.9 Å²	139.9	83%	0.826	74%	0.744	S	S	*	*			trans	-108.9	166.5	162.1	0	0	0	0	0	109
797	E	30.1	Very low	29.7	Very low	169 Å²	169	138.1 Å²	138.1	79%	0.79	74%	0.74	S	S	*	*			trans	-167.2	148.4	136.3	-113.1	-154.9	-127.5	0	0	114.6
798	T	29.5	Very low	29.4	Very low	99 Å²	99	135.5 Å²	135.5	61%	0.607	74%	0.74	S	S	*	*			trans	34.2	152.7	144.1	60.7	0	0	0	0	122.4
799	N	26.9	Very low	29.2	Very low	117 Å²	117	131.8 Å²	131.8	63%	0.626	74%	0.735	S	S	*	*			cis	-157.1	163.1	5.2	-129.1	-36.6	0	0	0	112.6
800	Q	30.6	Very low	29.2	Very low	137 Å²	137	133.1 Å²	133.1	64%	0.64	74%	0.741	S	S	*	*			trans	20.2	153.6	136.6	-77.6	-177.4	91.5	0	0	122.6
801	R	24.9	Very low	29.1	Very low	187 Å²	187	132.3 Å²	132.3	71%	0.706	74%	0.742	S	S	*	*			cis	172.6	159.2	-2.4	164.5	174.3	173.7	-174.6	-0.5	112.3
802	L	26.7	Very low	28.9	Very low	138 Å²	138	130.5 Å²	130.5	72%	0.723	74%	0.744	S	S	*	*			trans	61.6	124.9	159.5	-81.5	168.1	0	0	0	121.8
803	A	23.9	Very low	28.8	Very low	98 Å²	98	124.9 Å²	124.9	81%	0.81	74%	0.741	S	S	*	*				46.9	155.3	117	0	0	0	0	0	124.2
804	G	24.8	Very low	28.5	Very low	70 Å²	70	124.6 Å²	124.6	72%	0.722	74%	0.74	S	S	*	*			trans	119.7	110.5	-176.9	0	0	0	0	0	109.1
805	R	26.1	Very low	28.6	Very low	204 Å²	204	127.4 Å²	127.4	77%	0.77	74%	0.736	S	S	*	*			cis	75.6	123.1	31.7	-158.5	-167.9	-177	-120.2	-9.2	113.1
806	E	25.7	Very low	28.4	Very low	138 Å²	138	132.4 Å²	132.4	65%	0.645	73%	0.733	S	S	*	*			trans	66.1	156.3	168	-75.7	156.6	157.4	0	0	116.3
807	D	29.6	Very low	28.4	Very low	138 Å²	138	132 Å²	132	74%	0.738	73%	0.73	S	S	*	*			cis	-164.3	159.7	-21.9	175.8	40.5	0	0	0	108.6
808	S	30	Very low	28.3	Very low	109 Å²	109	129.2 Å²	129.2	76%	0.762	73%	0.729	S	S	*	*			trans	62.9	153.6	167.4	75.7	0	0	0	0	117.3
809	G	29.7	Very low	28.3	Very low	61 Å²	61	132.3 Å²	132.3	63%	0.629	74%	0.736	S	S	*	*			cis	143.6	148.2	-6.4	0	0	0	0	0	111.3
810	Q	33.3	Very low	28.2	Very low	186 Å²	186	136 Å²	136	87%	0.869	75%	0.75	S	S	*	*			trans	67.2	148.8	167.2	-66.3	-179.4	-3.5	0	0	116
811	D	29.7	Very low	28.1	Very low	142 Å²	142	135.5 Å²	135.5	76%	0.759	76%	0.756	S	S	*	*			cis	-159.1	-172.4	-21.9	-136.7	-52	0	0	0	110.1
812	A	30	Very low	28.3	Very low	80 Å²	80	136 Å²	136	66%	0.661	76%	0.763	S	S	*	*			trans	69	109	159.6	0	0	0	0	0	117.2
813	A	29.6	Very low	28.6	Very low	88 Å²	88	137.3 Å²	137.3	73%	0.727	76%	0.763	S	S	*	*				72.6	104.2	69.5	0	0	0	0	0	112.6
814	F	27.6	Very low	28.8	Very low	190 Å²	190	139.6 Å²	139.6	83%	0.833	76%	0.757	S	S	*	*				105.5	128.4	72.4	-132.5	-92.5	0	0	0	109.5
815	L	30.1	Very low	29.2	Very low	138 Å²	138	141.2 Å²	141.2	72%	0.723	76%	0.757	S	S	*	*				167.2	128.1	123.9	-88.5	167.3	0	0	0	114.7
816	K	26.7	Very low	29.1	Very low	191 Å²	191	138.8 Å²	138.8	83%	0.83	76%	0.76	S	S	*	*			trans	42.8	130.9	142.3	-67.3	178.2	-174.8	176	0	121.7
817	A	31.4	Very low	29.4	Very low	92 Å²	92	137.7 Å²	137.7	76%	0.76	76%	0.762	S	S	*	*			trans	-88.7	161.5	157.7	0	0	0	0	0	112.4
818	S	27.7	Very low	29.5	Very low	110 Å²	110	139.5 Å²	139.5	77%	0.769	77%	0.766	S	S	*	*			trans	-164.9	120.2	148.6	-85.3	0	0	0	0	115.5
819	H	29.1	Very low	29.6	Very low	164 Å²	164	141.9 Å²	141.9	76%	0.759	77%	0.765	S	S	*	*			trans	31.5	114.6	139.2	-61.7	-92.6	0	0	0	123.2
820	Q	26	Very low	29.8	Very low	196 Å²	196	145 Å²	145	92%	0.916	76%	0.763	S	S	*	*				-172	135.2	129.8	-101.4	159.7	75.9	0	0	107.3
821	V	28.4	Very low	29.6	Very low	125 Å²	125	144.2 Å²	144.2	76%	0.758	75%	0.752	S	S	*	*			cis	97.9	66.9	24	-169.7	0	0	0	0	115.6
822	K	28.9	Very low	29.4	Very low	199 Å²	199	145.7 Å²	145.7	87%	0.865	76%	0.755	S	S	*	*				60.4	96.7	127.5	-166.8	-173.5	-178.9	-177.9	0	121.1
823	K	31.6	Very low	30.2	Very low	164 Å²	164	146.4 Å²	146.4	71%	0.713	75%	0.752	S	S	*	*			trans	-164.7	145.1	133	-108.6	-162	176.4	-132.6	0	109.8
824	E	29.3	Very low	30.1	Very low	146 Å²	146	151.7 Å²	151.7	68%	0.682	76%	0.759	S	S	*	*				51.5	141.2	95.8	-66.2	169.5	-135	0	0	114.4
825	S	31.9	Very low	29.9	Very low	105 Å²	105	147.2 Å²	147.2	73%	0.734	76%	0.757	S	S	*	*			cis	-178.8	162.4	-4.4	48.1	0	0	0	0	109.2
826	D	25.6	Very low	29.6	Very low	153 Å²	153	145.7 Å²	145.7	82%	0.818	76%	0.764	S	S	*	*			trans	-157.7	146.2	158.5	-142.1	12.8	0	0	0	117.7
827	V	30.4	Very low	29.5	Very low	115 Å²	115	144.6 Å²	144.6	70%	0.697	77%	0.767	S	S	*	*			trans	34	147.2	150.2	157.9	0	0	0	0	124
828	E	33.3	Very low	30.2	Very low	175 Å²	175	145.1 Å²	145.1	82%	0.818	76%	0.763	S	S	*	*			cis	-170.5	179.6	-36.7	-138.7	-162.5	140.3	0	0	112.9
829	E	31.9	Very low	30	Very low	159 Å²	159	145.6 Å²	145.6	74%	0.743	76%	0.756	S	S	*	*			trans	73.5	147	165.4	-152.7	160	-126.8	0	0	117.2
830	E	32.7	Very low	29.8	Very low	126 Å²	126	145.1 Å²	145.1	59%	0.589	75%	0.752	S	S	*	*			cis	-123.1	-134.2	3.9	-144.8	-82.3	135.9	0	0	112.5
831	R	30.3	Very low	29.8	Very low	171 Å²	171	141.1 Å²	141.1	65%	0.645	74%	0.741	S	S	*	*			trans	-139.7	140.9	-159.2	-58.5	176.8	-176.2	106.6	-1.2	115.8
832	Q	25.7	Very low	29.7	Very low	172 Å²	172	145.3 Å²	145.3	80%	0.804	75%	0.749	S	S	*	*			trans	60.8	166.1	131.3	-71.1	-163.5	44.8	0	0	122.3
833	P	46.9	Very low	29.6	Very low	95 Å²	95	142.8 Å²	142.8	62%	0.617	75%	0.745	S	S	*	*			cis	-141.2	172.1	-39.7	39	-22.7	0	0	0	116.3
834	K	26.3	Very low	29.4	Very low	199 Å²	199	141.5 Å²	141.5	87%	0.865	75%	0.746	S	S	*	*			trans	72	116.3	148.4	-80.7	173.1	179.1	176.9	0	123.1
835	A	24	Very low	29.3	Very low	97 Å²	97	139.4 Å²	139.4	80%	0.802	74%	0.744	S	S	*	*				93	142.4	119	0	0	0	0	0	124.2
836	A	23.6	Very low	29	Very low	105 Å²	105	140.7 Å²	140.7	87%	0.868	75%	0.747	S	S	*	*			trans	86.9	158	148.6	0	0	0	0	0	122.6
837	L	24.5	Very low	29	Very low	169 Å²	169	138.6 Å²	138.6	89%	0.885	74%	0.744	S	S	*	*			trans	-93.5	-171.7	174.3	-55	156	0	0	0	109.4
838	P	47.1	Very low	28.8	Very low	103 Å²	103	137.3 Å²	137.3	67%	0.669	75%	0.746	S	S	*	*			cis	-135.1	-153.4	-7	39.7	-18.3	0	0	0	113.1
839	D	23	Very low	29.3	Very low	119 Å²	119	134.4 Å²	134.4	64%	0.636	74%	0.742	S	S	*	*			trans	70.1	154.6	150.2	-81.9	-6.8	0	0	0	119.4
840	K	25.1	Very low	28.9	Very low	154 Å²	154	132.6 Å²	132.6	67%	0.67	75%	0.747	S	S	*	*			cis	-159.5	168.1	-12.2	-126.7	164.5	-164	142	0	112.2
841	T	25.2	Very low	29.1	Very low	113 Å²	113	132.9 Å²	132.9	69%	0.693	76%	0.758	S	S	*	*			trans	47.4	134.8	152.5	51.3	0	0	0	0	121.5
842	K	26.8	Very low	29.7	Very low	213 Å²	213	130.1 Å²	130.1	93%	0.926	76%	0.762	S	S	*	*				-150.8	129.3	129.1	-120.7	169.2	-173.2	174.6	0	111.6
843	D	26.7	Very low	30	Very low	146 Å²	146	130.1 Å²	130.1	78%	0.781	76%	0.762	S	S	*	*			trans	-86.6	138.1	-179.2	-78.4	-54.5	0	0	0	112.9
844	D	27.9	Very low	29.6	Very low	137 Å²	137	132.3 Å²	132.3	73%	0.733	77%	0.767	S	S	*	*				46.3	117.3	122.8	-131.8	14.3	0	0	0	122.5
845	T	26.5	Very low	30	Very low	102 Å²	102	131.6 Å²	131.6	63%	0.626	76%	0.764	S	S	*	*				85.9	149.3	119.8	-86	0	0	0	0	123.8
846	T	26.6	Very low	30.8	Very low	131 Å²	131	137.3 Å²	137.3	80%	0.804	77%	0.771	S	S	*	*			trans	65.3	143.8	174.2	40.8	0	0	0	0	118
847	S	24.9	Very low	31.6	Very low	109 Å²	109	140.2 Å²	140.2	76%	0.762	77%	0.766	S	S	*	*			cis	-160.1	161	-10.8	44.4	0	0	0	0	111.8
848	A	27	Very low	32.4	Very low	88 Å²	88	142.3 Å²	142.3	73%	0.727	77%	0.768	S	S	*	*			trans	-76.8	-177.3	166.5	0	0	0	0	0	111.1
849	P	42.5	Very low	32.3	Very low	115 Å²	115	143.9 Å²	143.9	75%	0.747	77%	0.771	S	S	*	*			cis	-138.6	172.6	0.7	42.8	-26.1	0	0	0	116.5
850	S	24.7	Very low	33.2	Very low	121 Å²	121	146.8 Å²	146.8	85%	0.846	78%	0.778	S	S	*	*				164.5	163.8	125.8	53.1	0	0	0	0	113
851	T	35.8	Very low	34.4	Very low	132 Å²	132	141.8 Å²	141.8	81%	0.81	77%	0.77	S	S	*	*			trans	-127.4	158.8	-171.6	-8.8	0	0	0	0	109.6
852	P	43.2	Very low	35.5	Very low	112 Å²	112	143.4 Å²	143.4	73%	0.727	77%	0.768	S	S	*	*				-152.9	153	80	37.4	-16.9	0	0	0	119.1
853	Q	32.8	Very low	36.4	Very low	173 Å²	173	142.8 Å²	142.8	81%	0.808	76%	0.76	S	S	*	*			trans	28.4	136	140.5	-44.4	-176.8	26.6	0	0	120.6
854	I	37.8	Very low	37.6	Very low	140 Å²	140	142.5 Å²	142.5	72%	0.718	75%	0.753	S	S	*	*				-174.7	131.9	73.8	-85.4	179.6	0	0	0	109.8
855	K	33.7	Very low	39	Very low	185 Å²	185	144.6 Å²	144.6	80%	0.804	75%	0.751	S	S	*	*				162.3	103.7	122.2	-118.8	152.4	-174.3	172.4	0	112.4
856	K	42.5	Very low	40.6	Very low	217 Å²	217	143.1 Å²	143.1	94%	0.943	74%	0.739	S	S	*	*			trans	-110.5	119	164.1	-79.5	-177.9	176.1	177.3	0	108.5
857	E	38.4	Very low	42.2	Very low	165 Å²	165	143 Å²	143	77%	0.771	73%	0.73	S	S	*	*			trans	-151.8	-42.4	175.1	-157.1	157	-147.9	0	0	114	D859	E857-D859 PolarHBondContact O-N 3.19Å
858	K	41.2	Very low	43.9	Very low	214 Å²	214	147 Å²	147	93%	0.93	73%	0.728	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-11.4	-172.2	-157.1	169.1	-176.2	176.5	0	116
859	D	45.6	Very low	45.4	Very low	136 Å²	136	147.8 Å²	147.8	73%	0.727	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-13	-167.1	-158.6	42.3	0	0	0	114.9	E857	E857-D859 PolarHBondContact O-N 3.19Å
860	K	43.3	Very low	46	Very low	179 Å²	179	150.6 Å²	150.6	78%	0.778	71%	0.713	S	S	*	*	H	α-helix	trans	-69.8	-48.3	178.5	-83.5	-173.4	173.2	-178.5	0	113	K862 R863 E864	K860-K862 PolarHBondContact O-N 3.2Å; K860-R863 PolarHBondContact O-N 3.47Å; K860-E864 PolarHBondContact O-N 3.33Å
861	G	48.8	Very low	47.7	Very low	50 Å²	50	149 Å²	149	52%	0.515	70%	0.698	S	S	.	*	H	α-helix	trans	-66.2	-21	-170.2	0	0	0	0	0	115.1	R865	G861-R865 PolarHBondContact O-N 3.23Å
862	K	49	Very low	49	Very low	147 Å²	147	149.5 Å²	149.5	64%	0.639	69%	0.689	S	S	*	*	H	α-helix	trans	-73.7	-46.7	175	-165.8	175.8	-178.2	-177.1	0	111.3	K860 E864 R865 D866	K860-K862 PolarHBondContact O-N 3.2Å; K862-E864 VanDerWaalsContact C-N 3.35Å; K862-E864 PolarHBondContact O-N 3.42Å; K862-R865 WeakPolarHBondContact O-CB 3.37Å; K862-R865 PolarHBondContact O-N 3.18Å; K862-D866 PolarHBondContact O-N 3.04Å
863	R	44.9	Very low	49.8	Very low	200 Å²	200	150.3 Å²	150.3	76%	0.755	68%	0.683	S	S	*	*	H	α-helix	trans	-64.2	-38.1	-178.5	-166.7	171	-177	155.8	0.1	112.8	K860 R865 E867	K860-R863 PolarHBondContact O-N 3.47Å; R863-R865 VanDerWaalsContact C-N 3.34Å; R863-E867 WeakPolarHBondContact O-CB 3.34Å; R863-E867 PolarHBondContact O-N 3.15Å; R863-E867 VanDerWaalsContact O-N 3.12Å
864	E	53.3	Low	51	Low	139 Å²	139	149 Å²	149	65%	0.65	67%	0.674	S	S	*	*	H	α-helix	trans	-67.7	-31.9	176.5	-171	173.9	-165	0	0	112.7	K860 K862 R868	K860-E864 PolarHBondContact O-N 3.33Å; K862-E864 VanDerWaalsContact C-N 3.35Å; K862-E864 PolarHBondContact O-N 3.42Å; E864-R868 VanDerWaalsContact O-CB 3.29Å; E864-R868 WeakPolarHBondContact O-CB 3.44Å; E864-R868 PolarHBondContact O-N 3.35Å; E864-R868 VanDerWaalsContact O-N 3.1Å
865	R	57.6	Low	52.1	Low	181 Å²	181	149 Å²	149	68%	0.683	67%	0.669	S	S	*	*	H	α-helix	trans	-67.1	-51.8	174.1	-171.8	174.9	-177.7	156.6	0.6	111.1	G861 K862 R863 E867 R868 E869	G861-R865 PolarHBondContact O-N 3.23Å; K862-R865 WeakPolarHBondContact O-CB 3.37Å; K862-R865 PolarHBondContact O-N 3.18Å; R863-R865 VanDerWaalsContact C-N 3.34Å; R865-E867 VanDerWaalsContact C-N 3.28Å; R865-E867 PolarHBondContact O-N 3.19Å; R865-R868 PolarHBondContact O-N 3.32Å; R865-E869 WeakPolarHBondContact O-CB 3.44Å; R865-E869 PolarHBondContact O-N 3.06Å
866	D	59.1	Low	53.6	Low	71 Å²	71	146.9 Å²	146.9	38%	0.38	66%	0.662	S	S	.	*	H	α-helix	trans	-60	-37.5	-179.6	-60.7	-0.4	0	0	0	112	K862 E869 R870	K862-D866 PolarHBondContact O-N 3.04Å; D866-E869 PolarHBondContact O-N 2.93Å; D866-R870 VanDerWaalsContact O-CG 3.32Å; D866-R870 WeakPolarHBondContact O-CG 3.35Å; D866-R870 PolarHBondContact O-N 3.45Å; D866-R870 VanDerWaalsContact O-N 3.1Å
867	E	60.3	Low	54.4	Low	129 Å²	129	143.3 Å²	143.3	60%	0.603	65%	0.647	S	S	*	*	H	α-helix	trans	-71.2	-39.5	177.2	-174	159.3	-149	0	0	112.5	R863 R865 E869 T871	R863-E867 WeakPolarHBondContact O-CB 3.34Å; R863-E867 PolarHBondContact O-N 3.15Å; R863-E867 VanDerWaalsContact O-N 3.12Å; R865-E867 VanDerWaalsContact C-N 3.28Å; R865-E867 PolarHBondContact O-N 3.19Å; E867-E869 VanDerWaalsContact C-N 3.29Å; E867-E869 PolarHBondContact O-N 3.36Å; E867-T871 WeakPolarHBondContact O-CB 3.49Å; E867-T871 PolarHBondContact O-N 3.46Å; E867-T871 PolarHBondContact O-OG1 2.86Å
868	R	59.7	Low	55.5	Low	192 Å²	192	138.6 Å²	138.6	73%	0.725	63%	0.627	S	S	*	*	H	α-helix	trans	-66.4	-31.3	174.5	-165	175.5	-170.6	-167.9	3.4	112.4	E864 R865 K872	E864-R868 VanDerWaalsContact O-CB 3.29Å; E864-R868 WeakPolarHBondContact O-CB 3.44Å; E864-R868 PolarHBondContact O-N 3.35Å; E864-R868 VanDerWaalsContact O-N 3.1Å; R865-R868 PolarHBondContact O-N 3.32Å; R868-K872 PolarHBondContact O-N 3.04Å
869	E	59.3	Low	56.5	Low	105 Å²	105	137 Å²	137	49%	0.491	62%	0.615	S	S	.	*	H	α-helix	trans	-72.9	-50.7	177.3	-160.3	140.6	-104.3	0	0	111.8	R865 D866 E867 T871 K872 E873	R865-E869 WeakPolarHBondContact O-CB 3.44Å; R865-E869 PolarHBondContact O-N 3.06Å; D866-E869 PolarHBondContact O-N 2.93Å; E867-E869 VanDerWaalsContact C-N 3.29Å; E867-E869 PolarHBondContact O-N 3.36Å; E869-T871 PolarHBondContact O-N 3.3Å; E869-T871 VanDerWaalsContact O-N 3.17Å; E869-K872 WeakPolarHBondContact O-CA 3.22Å; E869-K872 WeakPolarHBondContact O-CB 3.48Å; E869-K872 PolarHBondContact O-N 2.97Å; E869-E873 PolarHBondContact O-N 3.14Å; E869-E873 VanDerWaalsContact O-N 3.14Å
870	R	55.6	Low	57.3	Low	175 Å²	175	133.8 Å²	133.8	66%	0.66	60%	0.603	S	S	*	*	H	α-helix	trans	-57.4	-31.4	172.6	-69.7	170.7	-176.9	-162.5	0.4	112.9	D866 K874	D866-R870 VanDerWaalsContact O-CG 3.32Å; D866-R870 WeakPolarHBondContact O-CG 3.35Å; D866-R870 PolarHBondContact O-N 3.45Å; D866-R870 VanDerWaalsContact O-N 3.1Å; R870-K874 WeakPolarHBondContact O-CB 3.44Å; R870-K874 PolarHBondContact O-N 2.92Å; R870-K874 VanDerWaalsContact O-N 3.12Å
871	T	59.6	Low	58	Low	88 Å²	88	130 Å²	130	54%	0.54	59%	0.586	S	S	.	*	H	α-helix	trans	-70.6	-31.1	175.3	-57.9	0	0	0	0	112.5	E867 E869 K875	E867-T871 WeakPolarHBondContact O-CB 3.49Å; E867-T871 PolarHBondContact O-N 3.46Å; E867-T871 PolarHBondContact O-OG1 2.86Å; E869-T871 PolarHBondContact O-N 3.3Å; E869-T871 VanDerWaalsContact O-N 3.17Å; T871-K875 WeakPolarHBondContact O-CB 3.32Å; T871-K875 PolarHBondContact O-N 3.31Å
872	K	63.4	Low	58.5	Low	141 Å²	141	132.1 Å²	132.1	61%	0.613	59%	0.586	S	S	*	*	H	α-helix	trans	-69.1	-51.3	171.5	-71.4	177.5	176.3	-178.6	0	111.3	R868 E869 K874 K875 E876	R868-K872 PolarHBondContact O-N 3.04Å; E869-K872 WeakPolarHBondContact O-CA 3.22Å; E869-K872 WeakPolarHBondContact O-CB 3.48Å; E869-K872 PolarHBondContact O-N 2.97Å; K872-K874 VanDerWaalsContact C-N 3.26Å; K872-K874 PolarHBondContact O-N 3.26Å; K872-K875 WeakPolarHBondContact O-CB 3.47Å; K872-K875 PolarHBondContact O-N 3.12Å; K872-E876 PolarHBondContact O-N 3.07Å
873	E	59.9	Low	59.3	Low	130 Å²	130	132.7 Å²	132.7	61%	0.607	59%	0.589	S	S	*	*	H	α-helix	trans	-52.7	-45.4	177.6	-71.5	-170.5	106.8	0	0	111.6	E869 K875 E876 K877	E869-E873 PolarHBondContact O-N 3.14Å; E869-E873 VanDerWaalsContact O-N 3.14Å; E873-K875 PolarHBondContact O-N 3.17Å; E873-E876 PolarHBondContact O-N 3.1Å; E873-K877 VanDerWaalsContact O-CB 3.22Å; E873-K877 WeakPolarHBondContact O-CB 3.29Å; E873-K877 PolarHBondContact O-N 3.12Å
874	K	57.1	Low	59.9	Low	145 Å²	145	127.9 Å²	127.9	63%	0.63	57%	0.574	S	S	*	*	H	α-helix	trans	-60.7	-44.3	178.1	-171	176.9	179.3	-177.2	0	112.1	R870 K872 E876 K877 D878	R870-K874 WeakPolarHBondContact O-CB 3.44Å; R870-K874 PolarHBondContact O-N 2.92Å; R870-K874 VanDerWaalsContact O-N 3.12Å; K872-K874 VanDerWaalsContact C-N 3.26Å; K872-K874 PolarHBondContact O-N 3.26Å; K874-E876 VanDerWaalsContact C-N 3.32Å; K874-E876 PolarHBondContact O-N 2.73Å; K874-K877 PolarHBondContact O-N 2.82Å; K874-D878 PolarHBondContact O-N 3.11Å
875	K	61.5	Low	60.1	Low	139 Å²	139	127.9 Å²	127.9	60%	0.604	57%	0.573	S	S	*	*	H	α-helix	trans	-65.9	-33	178.8	-172.4	173.2	-176.9	174.3	0	112.7	T871 K872 E873 R879	T871-K875 WeakPolarHBondContact O-CB 3.32Å; T871-K875 PolarHBondContact O-N 3.31Å; K872-K875 WeakPolarHBondContact O-CB 3.47Å; K872-K875 PolarHBondContact O-N 3.12Å; E873-K875 PolarHBondContact O-N 3.17Å; K875-R879 WeakPolarHBondContact O-CG 3.43Å; K875-R879 PolarHBondContact O-N 3.01Å
876	E	65.3	Low	60.1	Low	142 Å²	142	126.6 Å²	126.6	66%	0.664	57%	0.572	S	S	*	*	H	α-helix	trans	-74.6	-42.3	174.5	-174.9	151.7	-137.7	0	0	112.1	K872 E873 K874 D878 R879 S880	K872-E876 PolarHBondContact O-N 3.07Å; E873-E876 PolarHBondContact O-N 3.1Å; K874-E876 VanDerWaalsContact C-N 3.32Å; K874-E876 PolarHBondContact O-N 2.73Å; E876-D878 VanDerWaalsContact C-N 3.29Å; E876-D878 PolarHBondContact O-N 3.44Å; E876-R879 WeakPolarHBondContact O-CB 3.39Å; E876-R879 PolarHBondContact O-N 3.5Å; E876-R879 VanDerWaalsContact O-N 3.15Å; E876-S880 PolarHBondContact O-N 3.1Å
877	K	60	Low	60	Low	142 Å²	142	127.1 Å²	127.1	62%	0.617	57%	0.574	S	S	*	*	H	α-helix	trans	-65.4	-26.1	175.9	-167.7	167.5	-169.7	163.8	0	113.9	E873 K874 S880 K881	E873-K877 VanDerWaalsContact O-CB 3.22Å; E873-K877 WeakPolarHBondContact O-CB 3.29Å; E873-K877 PolarHBondContact O-N 3.12Å; K874-K877 PolarHBondContact O-N 2.82Å; K877-S880 PolarHBondContact O-OG 2.64Å; K877-K881 WeakPolarHBondContact O-CG 3.38Å
878	D	61.7	Low	59.5	Low	65 Å²	65	128.9 Å²	128.9	35%	0.348	58%	0.576	S	S	.	*	H	α-helix	trans	-85.1	-32.5	171.4	-69.6	-30.1	0	0	0	111.9	K874 E876 S880 K881 D882	K874-D878 PolarHBondContact O-N 3.11Å; E876-D878 VanDerWaalsContact C-N 3.29Å; E876-D878 PolarHBondContact O-N 3.44Å; D878-S880 VanDerWaalsContact C-N 3.34Å; D878-S880 PolarHBondContact O-N 3.4Å; D878-K881 PolarHBondContact O-N 2.93Å; D878-K881 IonicContact OD1-NZ 3.34Å; D878-K881 PolarHBondContact OD1-NZ 3.26Å; D878-D882 PolarHBondContact O-N 3.3Å; D878-D882 VanDerWaalsContact O-N 3.09Å
879	R	60.7	Low	58.9	Low	182 Å²	182	121.8 Å²	121.8	69%	0.687	56%	0.562	S	S	*	*	H	α-helix	trans	-62.1	-36.3	169.2	-83.9	176.3	162.8	-170.8	-7	113.1	K875 E876 K883	K875-R879 WeakPolarHBondContact O-CG 3.43Å; K875-R879 PolarHBondContact O-N 3.01Å; E876-R879 WeakPolarHBondContact O-CB 3.39Å; E876-R879 PolarHBondContact O-N 3.5Å; E876-R879 VanDerWaalsContact O-N 3.15Å; R879-K883 PolarHBondContact O-N 3.09Å
880	S	64.1	Low	58.3	Low	68 Å²	68	122.2 Å²	122.2	48%	0.476	56%	0.562	S	S	.	*	H	α-helix	trans	-68.8	-42	175.4	63.8	0	0	0	0	112	E876 K877 D878 D882 K883 E884	E876-S880 PolarHBondContact O-N 3.1Å; K877-S880 PolarHBondContact O-OG 2.64Å; D878-S880 VanDerWaalsContact C-N 3.34Å; D878-S880 PolarHBondContact O-N 3.4Å; S880-D882 PolarHBondContact O-N 3.2Å; S880-K883 PolarHBondContact O-N 3.35Å; S880-E884 PolarHBondContact O-N 2.99Å
881	K	57.5	Low	57.8	Low	99 Å²	99	119 Å²	119	43%	0.43	56%	0.558	S	S	.	*	H	α-helix	trans	-59.6	-40	173.8	-70.8	171.5	-164.5	160.9	0	113.3	K877 D878 E884 K885	K877-K881 WeakPolarHBondContact O-CG 3.38Å; D878-K881 PolarHBondContact O-N 2.93Å; D878-K881 IonicContact OD1-NZ 3.34Å; D878-K881 PolarHBondContact OD1-NZ 3.26Å; K881-E884 PolarHBondContact O-N 3.26Å; K881-K885 PolarHBondContact O-N 3.25Å
882	D	59.2	Low	56.8	Low	94 Å²	94	124.7 Å²	124.7	50%	0.503	57%	0.57	S	S	.	*	H	α-helix	trans	-75.4	-28.9	179.9	-82.2	-14.2	0	0	0	112.6	D878 S880 K885 K886	D878-D882 PolarHBondContact O-N 3.3Å; D878-D882 VanDerWaalsContact O-N 3.09Å; S880-D882 PolarHBondContact O-N 3.2Å; D882-K885 IonicContact OD1-NZ 2.77Å; D882-K885 PolarHBondContact OD1-NZ 3.42Å; D882-K886 WeakPolarHBondContact O-CB 3.39Å; D882-K886 PolarHBondContact O-N 3.11Å; D882-K886 VanDerWaalsContact O-N 3.12Å
883	K	64.4	Low	55.6	Low	160 Å²	160	125.7 Å²	125.7	70%	0.696	58%	0.576	S	S	*	*	H	α-helix	trans	-61	-48.2	162.4	-82.4	-172.7	174.2	-177.4	0	110.8	R879 S880 K885 K886 D887	R879-K883 PolarHBondContact O-N 3.09Å; S880-K883 PolarHBondContact O-N 3.35Å; K883-K885 PolarHBondContact O-N 3.45Å; K883-K886 WeakPolarHBondContact O-CB 3.36Å; K883-K886 PolarHBondContact O-N 3.18Å; K883-D887 PolarHBondContact O-N 2.7Å; K883-D887 VanDerWaalsContact O-N 3.11Å
884	E	58.6	Low	54.6	Low	98 Å²	98	127.8 Å²	127.8	46%	0.458	58%	0.579	S	S	.	*	H	α-helix	trans	-62.5	-39.7	-178.5	-154.6	-163.9	160.5	0	0	112.8	S880 K881 K886 R888	S880-E884 PolarHBondContact O-N 2.99Å; K881-E884 PolarHBondContact O-N 3.26Å; E884-K886 VanDerWaalsContact C-N 3.33Å; E884-K886 PolarHBondContact O-N 2.69Å; E884-R888 WeakPolarHBondContact O-CB 3.48Å; E884-R888 VanDerWaalsContact O-CG 3.25Å; E884-R888 WeakPolarHBondContact O-CG 3.4Å; E884-R888 PolarHBondContact O-N 3.22Å; E884-R888 IonicContact OE1-CZ 3.32Å; E884-R888 IonicContact OE1-NE 3.85Å; E884-R888 PolarHBondContact OE1-NE 3.39Å; E884-R888 IonicContact OE1-NH2 3.93Å; E884-R888 PolarHBondContact OE1-NH2 3.23Å
885	K	57.7	Low	53.6	Low	140 Å²	140	125.7 Å²	125.7	61%	0.609	57%	0.571	S	S	*	*	H	α-helix	trans	-60.4	-41.4	170.1	-77.7	-177.5	-166.3	150.7	0	112.2	K881 D882 K883 D887 G889	K881-K885 PolarHBondContact O-N 3.25Å; D882-K885 IonicContact OD1-NZ 2.77Å; D882-K885 PolarHBondContact OD1-NZ 3.42Å; K883-K885 PolarHBondContact O-N 3.45Å; K885-D887 PolarHBondContact O-N 3.09Å; K885-G889 PolarHBondContact O-N 3.12Å
886	K	58	Low	52.3	Low	153 Å²	153	127 Å²	127	67%	0.665	58%	0.577	S	S	*	*	H	α-helix	trans	-65.6	-37.5	-176.1	-167.9	171.6	-175	174.8	0	112	D882 K883 E884	D882-K886 WeakPolarHBondContact O-CB 3.39Å; D882-K886 PolarHBondContact O-N 3.11Å; D882-K886 VanDerWaalsContact O-N 3.12Å; K883-K886 WeakPolarHBondContact O-CB 3.36Å; K883-K886 PolarHBondContact O-N 3.18Å; E884-K886 VanDerWaalsContact C-N 3.33Å; E884-K886 PolarHBondContact O-N 2.69Å
887	D	57.2	Low	51.1	Low	82 Å²	82	122.7 Å²	122.7	44%	0.439	56%	0.56	S	S	.	*	H	α-helix	trans	-83.3	-36.6	176.9	-66	-39.5	0	0	0	112.6	K883 K885 G889 K890 D891	K883-D887 PolarHBondContact O-N 2.7Å; K883-D887 VanDerWaalsContact O-N 3.11Å; K885-D887 PolarHBondContact O-N 3.09Å; D887-G889 PolarHBondContact O-N 3.41Å; D887-G889 VanDerWaalsContact O-N 3.12Å; D887-K890 PolarHBondContact O-N 3.5Å; D887-K890 IonicContact OD1-NZ 2.76Å; D887-K890 PolarHBondContact OD1-NZ 2.99Å; D887-D891 PolarHBondContact O-N 2.99Å
888	R	47.9	Very low	50	Low	167 Å²	167	122.6 Å²	122.6	63%	0.63	56%	0.56	S	S	*	*	H	α-helix	trans	-58.5	-23	167.5	-73.2	175.2	-179.7	-133.1	8.3	113.2	E884	E884-R888 WeakPolarHBondContact O-CB 3.48Å; E884-R888 VanDerWaalsContact O-CG 3.25Å; E884-R888 WeakPolarHBondContact O-CG 3.4Å; E884-R888 PolarHBondContact O-N 3.22Å; E884-R888 IonicContact OE1-CZ 3.32Å; E884-R888 IonicContact OE1-NE 3.85Å; E884-R888 PolarHBondContact OE1-NE 3.39Å; E884-R888 IonicContact OE1-NH2 3.93Å; E884-R888 PolarHBondContact OE1-NH2 3.23Å
889	G	48.3	Very low	48.6	Very low	42 Å²	42	125.1 Å²	125.1	43%	0.433	58%	0.578	S	S	.	*	H	α-helix	trans	-70.4	-44.1	170.6	0	0	0	0	0	113.3	K885 D887	K885-G889 PolarHBondContact O-N 3.12Å; D887-G889 PolarHBondContact O-N 3.41Å; D887-G889 VanDerWaalsContact O-N 3.12Å
890	K	46.7	Very low	47.1	Very low	114 Å²	114	125.3 Å²	125.3	50%	0.496	59%	0.586	S	S	.	*	H	α-helix	trans	-68.6	-39.2	-178.1	-67.5	174	-172.3	155.3	0	113.1	D887 R892 E893 R894	D887-K890 PolarHBondContact O-N 3.5Å; D887-K890 IonicContact OD1-NZ 2.76Å; D887-K890 PolarHBondContact OD1-NZ 2.99Å; K890-R892 VanDerWaalsContact C-N 3.29Å; K890-R892 PolarHBondContact O-N 2.99Å; K890-E893 PolarHBondContact O-N 2.92Å; K890-R894 WeakPolarHBondContact O-CB 3.16Å; K890-R894 PolarHBondContact O-N 3.12Å; K890-R894 VanDerWaalsContact O-N 3.11Å
891	D	44.5	Very low	45.4	Very low	108 Å²	108	126 Å²	126	58%	0.578	60%	0.604	S	S	*	*	H	α-helix	trans	-65.5	-33	-179.5	-82.7	-31.8	0	0	0	112.3	D887 E893 R894 E895	D887-D891 PolarHBondContact O-N 2.99Å; D891-E893 PolarHBondContact O-N 3.5Å; D891-R894 CarbonylContact O-C 3.12Å; D891-R894 VanDerWaalsContact O-C 3.31Å; D891-R894 WeakPolarHBondContact O-CA 3.15Å; D891-R894 PolarHBondContact O-N 2.85Å; D891-R894 VanDerWaalsContact O-N 3.09Å; D891-E895 PolarHBondContact O-N 3.49Å
892	R	39.8	Very low	44	Very low	208 Å²	208	124.5 Å²	124.5	79%	0.785	62%	0.617	S	S	*	*	H	α-helix	trans	-66.9	-32.7	174.1	-82.7	-178.4	163	178	-4.4	114	K890 R894	K890-R892 VanDerWaalsContact C-N 3.29Å; K890-R892 PolarHBondContact O-N 2.99Å; R892-R894 VanDerWaalsContact C-N 3.25Å
893	E	36.5	Very low	42.8	Very low	161 Å²	161	131 Å²	131	75%	0.752	64%	0.635	S	S	*	*	H	α-helix	trans	-73.2	-24.8	172.3	-170.4	171.2	-140.3	0	0	111.4	K890 D891	K890-E893 PolarHBondContact O-N 2.92Å; D891-E893 PolarHBondContact O-N 3.5Å
894	R	40.7	Very low	41.2	Very low	174 Å²	174	130.5 Å²	130.5	66%	0.657	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	27.5	-179.4	-149.8	-174.1	-168.3	-150.5	6.3	113.3	V167 K168 K890 D891 R892	V167-R894 CarbonylContact C-O 3.31Å; V167-R894 WeakPolarHBondContact CA-O 2.94Å; K168-R894 VanDerWaalsContact N-C 3.32Å; K168-R894 PolarHBondContact N-O 3.5Å; K168-R894 CarbonylContact O-C 3.53Å; K168-R894 WeakPolarHBondContact O-CA 3.2Å; K890-R894 WeakPolarHBondContact O-CB 3.16Å; K890-R894 PolarHBondContact O-N 3.12Å; K890-R894 VanDerWaalsContact O-N 3.11Å; D891-R894 CarbonylContact O-C 3.12Å; D891-R894 VanDerWaalsContact O-C 3.31Å; D891-R894 WeakPolarHBondContact O-CA 3.15Å; D891-R894 PolarHBondContact O-N 2.85Å; D891-R894 VanDerWaalsContact O-N 3.09Å; R892-R894 VanDerWaalsContact C-N 3.25Å
895	E	35.7	Very low	39.8	Very low	101 Å²	101	129.2 Å²	129.2	47%	0.472	65%	0.652	S	S	.	*	B	Isolated β-bridge	trans	-122.9	6.1	179.7	-141.8	171.1	-144.2	0	0	116.1	S166 V167 K168 D891	S166-E895 PolarHBondContact N-OE1 3.16Å; V167-E895 VanDerWaalsContact C-CA 3.44Å; V167-E895 CarbonylContact O-C 3.56Å; K168-E895 PolarHBondContact O-N 3.29Å; K168-E895 VanDerWaalsContact O-N 3.15Å; D891-E895 PolarHBondContact O-N 3.49Å
896	K	34.5	Very low	38.4	Very low	168 Å²	168	126.4 Å²	126.4	73%	0.73	66%	0.663	S	S	*	*	S	Bend	trans	-103.8	-16.9	-160.2	-122.4	178.4	179.9	-178	0	119.9	K168	K168-K896 PolarHBondContact O-N 2.85Å
897	V	39.1	Very low	37	Very low	50 Å²	50	123.4 Å²	123.4	30%	0.303	67%	0.667	S	S	.	*	S	Bend	trans	-136.1	45.4	171.6	-52.9	0	0	0	0	118.1	K168 E169 K170	K168-V897 HydrophobicContact CB-CG2 4.46Å; K168-V897 HydrophobicContact CD-CG2 4.47Å; K168-V897 WeakPolarHBondContact CD-O 3.22Å; E169-V897 HydrophobicContact CB-CG2 3.64Å; E169-V897 HydrophobicContact CG-CG2 4.15Å; E169-V897 WeakPolarHBondContact O-CG1 3.45Å; E169-V897 WeakPolarHBondContact O-CG2 3.45Å; E169-V897 PolarHBondContact O-N 3.03Å; K170-V897 HydrophobicContact CB-CG2 4.26Å
898	K	37.5	Very low	35.8	Very low	141 Å²	141	126.5 Å²	126.5	61%	0.613	68%	0.683	S	S	*	*	S	Bend	trans	-84.9	1.1	149.9	-100.6	-163.1	-149.2	167.2	0	112.2	V167 K168	V167-K898 HydrophobicContact CG1-CB 4.11Å; V167-K898 HydrophobicContact CG1-CD 3.39Å; V167-K898 HydrophobicContact CG1-CG 3.88Å; V167-K898 WeakPolarHBondContact O-CB 3.25Å; V167-K898 PolarHBondContact O-N 3.46Å; K168-K898 HydrophobicContact CB-CB 4.08Å; K168-K898 HydrophobicContact CB-CG 3.88Å; K168-K898 HydrophobicContact CD-CB 4.48Å; K168-K898 HydrophobicContact CD-CG 3.69Å; K168-K898 HydrophobicContact CG-CG 3.81Å
899	T	32.3	Very low	34.9	Very low	118 Å²	118	125.6 Å²	125.6	72%	0.724	69%	0.688	S	S	*	*	S	Bend	trans	-115	24.7	-166.3	-30.4	0	0	0	0	113.8
900	E	28.1	Very low	33.8	Very low	185 Å²	185	130 Å²	130	86%	0.864	70%	0.701	S	S	*	*	S	Bend	trans	-148.2	139.5	142.9	-74.7	-149.8	166.8	0	0	108.3
901	G	28.3	Very low	32.8	Very low	82 Å²	82	129.8 Å²	129.8	85%	0.845	71%	0.71	S	S	*	*			cis	-153.7	-161.6	-6.1	0	0	0	0	0	110.4
902	G	30	Very low	32	Very low	68 Å²	68	132.1 Å²	132.1	70%	0.701	72%	0.718	S	S	*	*			trans	-175	179.8	174.2	0	0	0	0	0	113.7
903	R	32.7	Very low	31.4	Very low	232 Å²	232	128.2 Å²	128.2	88%	0.875	71%	0.711	S	S	*	*			trans	70.6	163.4	-176.8	-58.1	-168.8	179.2	-165.1	0.7	115.1
904	D	31.4	Very low	31	Very low	149 Å²	149	128.7 Å²	128.7	80%	0.797	71%	0.71	S	S	*	*			cis	-122.1	-177.9	-4.2	-92.6	-56.9	0	0	0	109.3
905	G	28.3	Very low	30.5	Very low	70 Å²	70	128.8 Å²	128.8	72%	0.722	72%	0.716	S	S	*	*			cis	-156.6	-170.7	-1.6	0	0	0	0	0	108.1
906	G	28.5	Very low	30.3	Very low	81 Å²	81	130.2 Å²	130.2	84%	0.835	72%	0.72	S	S	*	*			cis	108.1	122.8	12.5	0	0	0	0	0	111.7
907	A	29.8	Very low	30	Very low	91 Å²	91	128.6 Å²	128.6	75%	0.752	72%	0.715	S	S	*	*			cis	-145	-125.4	-25.8	0	0	0	0	0	108.9
908	L	30.7	Very low	29.5	Very low	147 Å²	147	132.4 Å²	132.4	77%	0.77	73%	0.734	S	S	*	*			cis	-161.5	157.3	1.3	-71.3	167.4	0	0	0	109.1
909	I	28.6	Very low	29.1	Very low	147 Å²	147	133.5 Å²	133.5	75%	0.754	74%	0.741	S	S	*	*			trans	68.3	148.7	139.3	-80.3	171.7	0	0	0	119.4
910	L	26.8	Very low	29	Very low	134 Å²	134	133.6 Å²	133.6	70%	0.702	73%	0.734	S	S	*	*			cis	-151.5	161	15.1	-161.4	60.8	0	0	0	114.1
911	T	25.9	Very low	29	Very low	111 Å²	111	133.7 Å²	133.7	68%	0.681	73%	0.726	S	S	*	*			trans	60.9	161.7	149.7	40.2	0	0	0	0	122.3
912	Q	26.8	Very low	29	Very low	157 Å²	157	135.2 Å²	135.2	73%	0.734	72%	0.719	S	S	*	*				-178.5	167.1	-51.1	-118.3	-172.8	10	0	0	112
913	I	28.1	Very low	29.1	Very low	125 Å²	125	140.9 Å²	140.9	64%	0.641	72%	0.724	S	S	*	*			trans	83.2	126.8	142.1	-85.1	172	0	0	0	122.5
914	K	27.3	Very low	28.8	Very low	171 Å²	171	138 Å²	138	74%	0.743	72%	0.72	S	S	*	*			trans	71	122.4	149.4	-82.9	174.9	-169	170.5	0	119.9
915	K	30.8	Very low	28.7	Very low	177 Å²	177	134.4 Å²	134.4	77%	0.77	72%	0.719	S	S	*	*				87	151.3	81.9	-99.2	-164.4	175.1	-167.1	0	112.3
916	K	31.1	Very low	28.8	Very low	130 Å²	130	136.3 Å²	136.3	57%	0.565	72%	0.722	S	S	*	*			cis	-169.7	154.5	-9.3	-159	-177.6	171.4	-132	0	107.2
917	E	29.2	Very low	29	Very low	135 Å²	135	144.3 Å²	144.3	63%	0.631	73%	0.726	S	S	*	*			trans	61.5	163.4	152.5	-87.7	159.6	-172.7	0	0	119.3
918	D	28.5	Very low	28.9	Very low	130 Å²	130	143.8 Å²	143.8	70%	0.695	73%	0.73	S	S	*	*			cis	-156	178.9	-26.6	-144.5	-28.3	0	0	0	109.6
919	E	27.3	Very low	28.6	Very low	164 Å²	164	142.8 Å²	142.8	77%	0.766	73%	0.734	S	S	*	*			trans	60.7	162.4	156.8	-79.1	-173	112.8	0	0	119.4
920	E	30.6	Very low	29.2	Very low	120 Å²	120	140.6 Å²	140.6	56%	0.561	73%	0.73	S	S	*	*			cis	-153.3	178.8	-34.4	-153	-150.5	151.1	0	0	108
921	R	29.2	Very low	29.4	Very low	187 Å²	187	141.1 Å²	141.1	71%	0.706	74%	0.738	S	S	*	*			trans	70.3	100.2	150.1	-92.3	167.6	-155.4	167.4	32.2	124.3
922	T	28.4	Very low	30	Very low	113 Å²	113	140.3 Å²	140.3	69%	0.693	74%	0.743	S	S	*	*				68.5	133.3	116.5	55.3	0	0	0	0	124.4
923	K	30.9	Very low	30.9	Very low	187 Å²	187	139.2 Å²	139.2	81%	0.813	75%	0.749	S	S	*	*			trans	69.1	163.5	144.6	-71	179.3	174.6	-172.1	0	119.9
924	E	27.8	Very low	31	Very low	171 Å²	171	138.1 Å²	138.1	80%	0.799	76%	0.759	S	S	*	*			cis	-168.5	137.6	-43.7	-176	158.1	-146	0	0	109.6
925	G	29.1	Very low	31.3	Very low	75 Å²	75	134.6 Å²	134.6	77%	0.773	76%	0.762	S	S	*	*			trans	60.2	-172.6	172	0	0	0	0	0	117.1
926	S	30.6	Very low	31.3	Very low	110 Å²	110	132.8 Å²	132.8	77%	0.769	76%	0.756	S	S	*	*				-161.7	133.7	-52.1	-167.5	0	0	0	0	109.9
927	R	32.5	Very low	31.2	Very low	248 Å²	248	136.4 Å²	136.4	94%	0.936	77%	0.766	S	S	*	*			trans	19	127.6	164.4	-52.5	-178.6	-170.3	-174.4	5.1	120.6
928	G	26.8	Very low	31.4	Very low	81 Å²	81	134.6 Å²	134.6	84%	0.835	76%	0.761	S	S	*	*			trans	167.1	138.7	156	0	0	0	0	0	115.6
929	C	25.2	Very low	31.5	Very low	126 Å²	126	137.6 Å²	137.6	85%	0.851	77%	0.771	S	S	*	*			trans	-146.6	168.2	172.9	-136.6	0	0	0	0	107.1
930	P	41	Very low	31.9	Very low	101 Å²	101	137 Å²	137	66%	0.656	77%	0.765	S	S	*	*			cis	-137.5	176.8	1.9	43.9	-26.6	0	0	0	116.4
931	T	30.8	Very low	31.8	Very low	144 Å²	144	141.6 Å²	141.6	88%	0.883	78%	0.778	S	S	*	*			trans	32.1	150.3	152.5	43.3	0	0	0	0	124.8
932	A	37.2	Very low	31.9	Very low	95 Å²	95	136 Å²	136	79%	0.785	77%	0.771	S	S	*	*			trans	-121.7	168.1	-177	0	0	0	0	0	114.2
933	P	47.4	Very low	32	Very low	133 Å²	133	139.7 Å²	139.7	86%	0.864	78%	0.778	S	S	*	*			trans	-140.5	160.4	164	41	-26.4	0	0	0	116.5
934	A	28.6	Very low	31.7	Very low	103 Å²	103	139 Å²	139	85%	0.851	78%	0.777	S	S	*	*			trans	-175.3	149	155.9	0	0	0	0	0	108.4
935	A	34.4	Very low	31.7	Very low	96 Å²	96	135.2 Å²	135.2	79%	0.793	78%	0.775	S	S	*	*			cis	-145.5	-175.3	-1.9	0	0	0	0	0	107.6
936	Q	31.2	Very low	31.6	Very low	139 Å²	139	138 Å²	138	65%	0.65	77%	0.772	S	S	*	*			cis	-131.1	-123.6	6.4	-157.2	-149.9	-28	0	0	108	D938	Q936-D938 PolarHBondContact NE2-OD1 2.85Å; Q936-D938 PolarHBondContact NE2-OD2 3.15Å
937	R	29.6	Very low	31.9	Very low	206 Å²	206	137.3 Å²	137.3	78%	0.777	77%	0.768	S	S	*	*			cis	-140.5	162.5	-4.9	-172.8	148.5	-160.7	-130.4	-21.7	111.7
938	D	32.1	Very low	31.8	Very low	97 Å²	97	132.8 Å²	132.8	52%	0.519	76%	0.755	S	S	.	*			trans	-45.3	143.3	171.3	-39.2	-65.3	0	0	0	112.4	Q936	Q936-D938 PolarHBondContact NE2-OD1 2.85Å; Q936-D938 PolarHBondContact NE2-OD2 3.15Å
939	E	31.9	Very low	32	Very low	194 Å²	194	134.6 Å²	134.6	91%	0.907	75%	0.75	S	S	*	*			cis	-142.7	-173.1	47.5	-121.8	-176.6	125.2	0	0	116.6
940	K	34.7	Very low	32.1	Very low	150 Å²	150	136.7 Å²	136.7	65%	0.652	75%	0.747	S	S	*	*			trans	-88.4	165.5	-173.9	-77.9	179.6	165.9	-170.2	0	112.6
941	W	28.8	Very low	31.6	Very low	218 Å²	218	137.1 Å²	137.1	83%	0.826	75%	0.748	S	S	*	*			cis	-167.6	168.9	-2.2	-110.6	-13.2	0	0	0	107
942	A	31.7	Very low	31.4	Very low	68 Å²	68	137.3 Å²	137.3	56%	0.562	74%	0.744	S	S	*	*			cis	-170.4	172	-13.3	0	0	0	0	0	110.1
943	K	30.9	Very low	31.1	Very low	192 Å²	192	140.4 Å²	140.4	84%	0.835	75%	0.746	S	S	*	*			trans	74.9	141.4	167.4	-53.7	-178.5	179.7	-175.2	0	115.5
944	E	24.5	Very low	30.3	Very low	172 Å²	172	142.9 Å²	142.9	80%	0.804	74%	0.743	S	S	*	*			cis	-139.3	125.1	4.9	-147.4	156.9	-146	0	0	106.8
945	A	27.1	Very low	30.5	Very low	91 Å²	91	148.2 Å²	148.2	75%	0.752	74%	0.742	S	S	*	*				71.3	131.8	50.7	0	0	0	0	0	113.5
946	D	26.8	Very low	30.4	Very low	133 Å²	133	149.3 Å²	149.3	71%	0.711	73%	0.734	S	S	*	*			cis	-156.5	163.4	-20	-171.9	8.3	0	0	0	108.3	K948	D946-K948 IonicContact OD1-NZ 3.76Å; D946-K948 PolarHBondContact OD1-NZ 2.77Å; D946-K948 IonicContact OD2-NZ 3.16Å; D946-K948 PolarHBondContact OD2-NZ 3.32Å
947	S	36.3	Very low	30.4	Very low	97 Å²	97	150.3 Å²	150.3	68%	0.678	74%	0.736	S	S	*	*			trans	-88.4	161.2	165.2	-58.7	0	0	0	0	111.3
948	K	30.7	Very low	30.5	Very low	152 Å²	152	147.8 Å²	147.8	66%	0.661	73%	0.733	S	S	*	*			trans	-179.7	128.2	130.1	-99.8	158	-142.8	74.3	0	116.9	D946	D946-K948 IonicContact OD1-NZ 3.76Å; D946-K948 PolarHBondContact OD1-NZ 2.77Å; D946-K948 IonicContact OD2-NZ 3.16Å; D946-K948 PolarHBondContact OD2-NZ 3.32Å
949	T	31	Very low	30.5	Very low	119 Å²	119	151 Å²	151	73%	0.73	75%	0.745	S	S	*	*			trans	22.2	139.4	134.7	60.2	0	0	0	0	122.6
950	Q	27.9	Very low	30.6	Very low	170 Å²	170	147.5 Å²	147.5	79%	0.794	73%	0.732	S	S	*	*				-175	128.8	106.6	-103.8	-172.2	13.1	0	0	117.2
951	T	29.4	Very low	30.6	Very low	110 Å²	110	148.3 Å²	148.3	68%	0.675	74%	0.736	S	S	*	*			trans	44.7	166.4	135.6	57	0	0	0	0	125.5
952	N	28.4	Very low	30.7	Very low	148 Å²	148	145.7 Å²	145.7	79%	0.791	74%	0.738	S	S	*	*			trans	98.7	157.5	173.7	-58.5	-75.8	0	0	0	116.1
953	L	29.9	Very low	30.9	Very low	160 Å²	160	153.8 Å²	153.8	84%	0.838	75%	0.754	S	S	*	*			cis	-138.5	-136.6	-1.4	-138.6	176.3	0	0	0	112.9
954	K	30.9	Very low	30.7	Very low	185 Å²	185	148.6 Å²	148.6	80%	0.804	76%	0.755	S	S	*	*			trans	-168.4	153.8	-164.5	-178.1	-179.4	178.1	-176.8	0	114.3
955	R	31.6	Very low	30.9	Very low	216 Å²	216	145 Å²	145	82%	0.815	76%	0.755	S	S	*	*			trans	117.9	158	166.8	-74.6	-163.5	-133.2	171.9	3.4	115.2
956	D	32.9	Very low	31.8	Very low	118 Å²	118	146.5 Å²	146.5	63%	0.631	76%	0.757	S	S	*	*			cis	-146	166.4	3.7	-124.5	-31.4	0	0	0	114.4
957	K	32.1	Very low	32.5	Very low	160 Å²	160	145.5 Å²	145.5	70%	0.696	76%	0.758	S	S	*	*			trans	15.8	161.8	142.2	-101.8	-177.8	173.6	-152	0	123.2
958	E	30.7	Very low	32	Very low	153 Å²	153	146.6 Å²	146.6	72%	0.715	77%	0.765	S	S	*	*			cis	-152.2	-179.6	12.9	-165.1	138.6	-135.7	0	0	112.4
959	H	33.4	Very low	32.4	Very low	164 Å²	164	148.6 Å²	148.6	76%	0.759	77%	0.769	S	S	*	*			trans	-159.4	115.4	-169.9	-160.1	-34	0	0	0	116.3
960	D	32.8	Very low	32.8	Very low	122 Å²	122	149.1 Å²	149.1	65%	0.652	77%	0.774	S	S	*	*			trans	-167.3	143.5	154.5	-105.9	-15.3	0	0	0	108.6
961	K	34.9	Very low	33	Very low	167 Å²	167	146.5 Å²	146.5	73%	0.726	77%	0.765	S	S	*	*				66.3	118.6	57.4	-54.7	-161.4	-141.1	90.8	0	112.7
962	D	30.5	Very low	33.2	Very low	162 Å²	162	151 Å²	151	87%	0.866	77%	0.77	S	S	*	*				-140.3	-177.1	58	-149.9	-16	0	0	0	114.5
963	R	35.3	Very low	33.3	Very low	239 Å²	239	150.8 Å²	150.8	90%	0.902	76%	0.764	S	S	*	*			trans	-114	107.5	-171.2	-83.1	179.5	163.7	168.5	-4.9	114.6
964	G	27.3	Very low	33.6	Very low	83 Å²	83	148.1 Å²	148.1	86%	0.856	75%	0.751	S	S	*	*			trans	-81.5	158.6	164.6	0	0	0	0	0	114.2
965	A	29.1	Very low	33.5	Very low	96 Å²	96	142.4 Å²	142.4	79%	0.793	75%	0.745	S	S	*	*			trans	-96.4	172	176.8	0	0	0	0	0	111.4
966	P	45.8	Very low	33.8	Very low	122 Å²	122	141.7 Å²	141.7	79%	0.792	74%	0.742	S	S	*	*			trans	-81.3	178.8	176.9	39.2	-37.8	0	0	0	111
967	P	42.8	Very low	33.8	Very low	113 Å²	113	143.4 Å²	143.4	73%	0.734	75%	0.751	S	S	*	*			cis	-139	-160.4	10.7	44	-25.2	0	0	0	115.4
968	S	24.8	Very low	33.8	Very low	119 Å²	119	138.8 Å²	138.8	83%	0.832	75%	0.749	S	S	*	*			trans	93.4	162.2	151.6	77	0	0	0	0	120
969	R	38.3	Very low	33.8	Very low	195 Å²	195	135.3 Å²	135.3	74%	0.736	75%	0.754	S	S	*	*			trans	-96.8	-175.3	-168.2	-58.1	179.3	175.8	-179	-4.7	112.1	D971	R969-D971 VanDerWaalsContact CD-OD2 3.28Å; R969-D971 WeakPolarHBondContact CD-OD2 3.32Å; R969-D971 IonicContact CZ-OD2 3.85Å; R969-D971 IonicContact NE-OD2 3.56Å; R969-D971 IonicContact NH1-OD1 3.32Å; R969-D971 IonicContact NH1-OD2 2.75Å; R969-D971 PolarHBondContact NH1-OD2 2.98Å
970	P	39.8	Very low	33.7	Very low	129 Å²	129	132.6 Å²	132.6	84%	0.838	75%	0.753	S	S	*	*				-125.4	150.3	110.3	36.3	-33.5	0	0	0	115.2
971	D	32.2	Very low	33.7	Very low	116 Å²	116	134.7 Å²	134.7	62%	0.62	76%	0.759	S	S	*	*			trans	-103.6	161.8	155.4	-76.4	-82.2	0	0	0	108.1	R969	R969-D971 VanDerWaalsContact CD-OD2 3.28Å; R969-D971 WeakPolarHBondContact CD-OD2 3.32Å; R969-D971 IonicContact CZ-OD2 3.85Å; R969-D971 IonicContact NE-OD2 3.56Å; R969-D971 IonicContact NH1-OD1 3.32Å; R969-D971 IonicContact NH1-OD2 2.75Å; R969-D971 PolarHBondContact NH1-OD2 2.98Å
972	R	32.9	Very low	33.7	Very low	204 Å²	204	135 Å²	135	77%	0.77	76%	0.76	S	S	*	*			trans	-163.9	147.1	156.7	-87.1	-157.9	116.7	107.5	20	109.6
973	E	32.1	Very low	33.7	Very low	143 Å²	143	135 Å²	135	67%	0.668	76%	0.76	S	S	*	*			cis	-178.8	156.5	-19	-112.3	170.6	-151.5	0	0	104
974	D	35.3	Very low	33.5	Very low	104 Å²	104	132.6 Å²	132.6	56%	0.556	76%	0.756	S	S	*	*			cis	-160.4	137.5	-8.1	169.9	42.8	0	0	0	105.1	R976	D974-R976 IonicContact OD1-NE 3.2Å; D974-R976 IonicContact OD2-CZ 3.65Å; D974-R976 IonicContact OD2-NE 2.9Å; D974-R976 PolarHBondContact OD2-NE 2.75Å; D974-R976 IonicContact OD2-NH2 2.64Å; D974-R976 PolarHBondContact OD2-NH2 2.88Å
975	G	29.3	Very low	33.6	Very low	66 Å²	66	133.1 Å²	133.1	68%	0.68	75%	0.747	S	S	*	*			cis	147.5	-140.7	2.4	0	0	0	0	0	110.6
976	R	37.7	Very low	33.6	Very low	200 Å²	200	134.5 Å²	134.5	76%	0.755	75%	0.745	S	S	*	*			trans	63.6	136.3	165.9	-47.6	-175.7	-161.6	-151.5	1.3	118.3	D974	D974-R976 IonicContact OD1-NE 3.2Å; D974-R976 IonicContact OD2-CZ 3.65Å; D974-R976 IonicContact OD2-NE 2.9Å; D974-R976 PolarHBondContact OD2-NE 2.75Å; D974-R976 IonicContact OD2-NH2 2.64Å; D974-R976 PolarHBondContact OD2-NH2 2.88Å
977	D	33.3	Very low	32.7	Very low	155 Å²	155	138 Å²	138	83%	0.829	75%	0.751	S	S	*	*			cis	-167.3	175.8	-16.7	-116	-52.6	0	0	0	108.3
978	G	32.5	Very low	32	Very low	62 Å²	62	135.8 Å²	135.8	64%	0.639	75%	0.748	S	S	*	*			cis	172.9	141.6	-1.9	0	0	0	0	0	113.6
979	G	28.9	Very low	32.3	Very low	80 Å²	80	140 Å²	140	83%	0.825	75%	0.751	S	S	*	*			trans	83.2	150.5	169.1	0	0	0	0	0	118
980	S	31.8	Very low	31.8	Very low	107 Å²	107	139 Å²	139	75%	0.748	75%	0.752	S	S	*	*			cis	-161.4	133.7	-12.8	54.5	0	0	0	0	113.9
981	H	33.8	Very low	31.2	Very low	166 Å²	166	140 Å²	140	77%	0.769	75%	0.746	S	S	*	*			trans	40.8	117	148.7	-65.1	-109.6	0	0	0	121.5
982	K	34.9	Very low	31.3	Very low	173 Å²	173	144.4 Å²	144.4	75%	0.752	76%	0.76	S	S	*	*				78	115.4	66	-79.9	-176.4	175.4	172.7	0	117.4
983	N	29.9	Very low	31.2	Very low	163 Å²	163	140.9 Å²	140.9	87%	0.872	77%	0.766	S	S	*	*				174.4	-173.1	113	-92.9	-24.1	0	0	0	115.5
984	K	31.7	Very low	31.1	Very low	189 Å²	189	137.5 Å²	137.5	82%	0.822	77%	0.77	S	S	*	*			trans	-119.1	158	-157.8	-62.5	179.9	175	178.1	0	116.9
985	S	28.1	Very low	30.7	Very low	94 Å²	94	140.7 Å²	140.7	66%	0.657	78%	0.781	S	S	*	*			trans	72.5	118.7	132.9	60.7	0	0	0	0	124.8
986	T	29.4	Very low	30.9	Very low	124 Å²	124	145 Å²	145	76%	0.761	78%	0.781	S	S	*	*			trans	75	147	132.3	56.7	0	0	0	0	122.9
987	H	27.2	Very low	30.6	Very low	197 Å²	197	142.9 Å²	142.9	91%	0.912	78%	0.78	S	S	*	*			trans	65.1	146.7	179.4	-70.7	-85.1	0	0	0	116.3
988	G	27.3	Very low	30.4	Very low	65 Å²	65	138.9 Å²	138.9	67%	0.67	78%	0.775	S	S	*	*			cis	164.4	148.9	-15.4	0	0	0	0	0	115
989	K	31.4	Very low	30.4	Very low	207 Å²	207	144.4 Å²	144.4	90%	0.9	78%	0.782	S	S	*	*			trans	65.7	116.7	162.9	-77.6	-178	177.4	175.3	0	121.3
990	K	29.2	Very low	30.5	Very low	174 Å²	174	145.8 Å²	145.8	76%	0.757	77%	0.77	S	S	*	*				87.4	153.9	121.8	-156.5	-154.5	172.3	-155.8	0	119.3
991	E	26.7	Very low	30.5	Very low	152 Å²	152	146.7 Å²	146.7	71%	0.71	77%	0.771	S	S	*	*			trans	83.7	129.7	166.5	-47.7	-163.2	163.2	0	0	116.7
992	K	34.8	Very low	30.3	Very low	208 Å²	208	144 Å²	144	90%	0.904	77%	0.771	S	S	*	*			cis	116.2	77.7	-6.7	-160.6	-151.8	175.9	-170.7	0	117.8
993	S	29.3	Very low	29.9	Very low	129 Å²	129	141.9 Å²	141.9	90%	0.902	77%	0.772	S	S	*	*			trans	-168.2	157.7	158.5	48.3	0	0	0	0	108.2
994	G	29.9	Very low	30	Very low	73 Å²	73	139.1 Å²	139.1	75%	0.753	77%	0.766	S	S	*	*			cis	-153.8	152.6	-18.9	0	0	0	0	0	106
995	H	27.3	Very low	29.9	Very low	170 Å²	170	135.1 Å²	135.1	79%	0.787	76%	0.762	S	S	*	*				80.7	134.8	51.7	-159.9	59.8	0	0	0	115.3
996	K	33	Very low	29.9	Very low	156 Å²	156	135 Å²	135	68%	0.678	77%	0.767	S	S	*	*			trans	75.2	151.7	-179	-71.2	-174.3	170.3	-80	0	118.2
997	E	32.1	Very low	30.1	Very low	156 Å²	156	138.8 Å²	138.8	73%	0.729	77%	0.772	S	S	*	*			cis	-173.3	162.7	-32.9	-123.1	168.5	-176	0	0	111.5
998	G	28.4	Very low	30.9	Very low	71 Å²	71	135.4 Å²	135.4	73%	0.732	77%	0.768	S	S	*	*			trans	81.8	135.4	170.5	0	0	0	0	0	116.2
999	K	32.8	Very low	30.9	Very low	179 Å²	179	135.6 Å²	135.6	78%	0.778	77%	0.77	S	S	*	*			cis	76.7	116.5	9.7	-147.8	-169.8	172.4	-72.9	0	114.1
1000	D	31.1	Very low	30.9	Very low	109 Å²	109	136.7 Å²	136.7	58%	0.583	77%	0.768	S	S	*	*				-171.5	158.1	72.7	-118.9	-47.4	0	0	0	116.2
1001	T	31.6	Very low	30.8	Very low	126 Å²	126	134.8 Å²	134.8	77%	0.773	76%	0.762	S	S	*	*			trans	57.9	148.3	158.8	52.5	0	0	0	0	120.2
1002	S	29.9	Very low	30.9	Very low	108 Å²	108	135.2 Å²	135.2	76%	0.755	77%	0.77	S	S	*	*			cis	-159.9	-159.8	2.8	36.2	0	0	0	0	108
1003	V	27.6	Very low	30.6	Very low	129 Å²	129	129.3 Å²	129.3	78%	0.782	77%	0.768	S	S	*	*			cis	-142.4	-116.8	10.2	-163	0	0	0	0	111.3
1004	S	31.5	Very low	30.5	Very low	105 Å²	105	132.5 Å²	132.5	73%	0.734	77%	0.765	S	S	*	*			trans	-162.6	178.3	-172.7	63.5	0	0	0	0	110.5
1005	S	30	Very low	30.2	Very low	105 Å²	105	134 Å²	134	73%	0.734	76%	0.76	S	S	*	*			cis	-166.6	152	19.5	46.6	0	0	0	0	115.1
1006	A	28.3	Very low	30.2	Very low	93 Å²	93	133.9 Å²	133.9	77%	0.769	76%	0.759	S	S	*	*			trans	62.5	140.7	158.1	0	0	0	0	0	120.8
1007	K	32.4	Very low	29.9	Very low	202 Å²	202	134.6 Å²	134.6	88%	0.878	76%	0.762	S	S	*	*			cis	90.4	154.2	16.5	-69.6	-166.6	171.9	-176.8	0	117.3
1008	P	44.4	Very low	29.8	Very low	126 Å²	126	134.9 Å²	134.9	82%	0.818	76%	0.763	S	S	*	*			cis	-120.6	-166.5	1.8	43.1	-29.6	0	0	0	113.9
1009	G	28.1	Very low	29.9	Very low	69 Å²	69	136.6 Å²	136.6	71%	0.711	76%	0.762	S	S	*	*			cis	134	130.3	-21.4	0	0	0	0	0	118.1
1010	R	29.7	Very low	29.7	Very low	230 Å²	230	135.8 Å²	135.8	87%	0.868	76%	0.761	S	S	*	*			trans	77	151.2	166.1	-108.7	-172	175.8	-137.4	2.1	117
1011	E	28.3	Very low	29.5	Very low	135 Å²	135	137 Å²	137	63%	0.631	77%	0.767	S	S	*	*			cis	-143.8	165.3	13	-57.7	-163.4	127.7	0	0	115.3
1012	D	28.6	Very low	29.4	Very low	161 Å²	161	137.4 Å²	137.4	86%	0.861	76%	0.76	S	S	*	*			trans	35.3	139.8	151.3	-63.4	-8.3	0	0	0	126
1013	G	27.4	Very low	29.3	Very low	84 Å²	84	136.3 Å²	136.3	87%	0.866	76%	0.757	S	S	*	*			trans	-168.8	125	171.7	0	0	0	0	0	117.5
1014	K	27.5	Very low	29.5	Very low	195 Å²	195	137.8 Å²	137.8	85%	0.848	75%	0.753	S	S	*	*			trans	-77.5	150.3	-166.9	-72.5	173.6	169.5	170.3	0	120.2
1015	T	24.9	Very low	29.5	Very low	105 Å²	105	140.9 Å²	140.9	64%	0.644	75%	0.753	S	S	*	*			trans	51.2	131.5	133.9	63.1	0	0	0	0	125.5
1016	H	26.8	Very low	29.5	Very low	167 Å²	167	142.1 Å²	142.1	77%	0.773	75%	0.751	S	S	*	*				51.5	152.9	130	-59.5	-39.2	0	0	0	122.1
1017	K	27.6	Very low	29.5	Very low	171 Å²	171	140.5 Å²	140.5	74%	0.743	74%	0.744	S	S	*	*			cis	-167.1	155.1	-15.6	-118.5	-169.1	173.3	-169.1	0	108.7
1018	H	28	Very low	29.4	Very low	162 Å²	162	139.3 Å²	139.3	75%	0.75	74%	0.739	S	S	*	*			trans	43.8	138.9	150.7	-90.1	-88	0	0	0	123.9
1019	P	31.5	Very low	28.6	Very low	108 Å²	108	142.4 Å²	142.4	70%	0.701	74%	0.74	S	S	*	*			trans	-102.8	179.3	141	38.9	-31.3	0	0	0	112.5
1020	Q	27.6	Very low	28.6	Very low	161 Å²	161	145.6 Å²	145.6	75%	0.752	74%	0.736	S	S	*	*				-172.7	155.4	-51.4	-150	-172	-21.3	0	0	110.2
1021	L	28.9	Very low	28.6	Very low	135 Å²	135	142.4 Å²	142.4	71%	0.707	73%	0.729	S	S	*	*			trans	68.9	153.3	165.9	-51.4	176.9	0	0	0	115.8
1022	Q	28.6	Very low	28.6	Very low	135 Å²	135	143 Å²	143	63%	0.631	74%	0.736	S	S	*	*			cis	-140.9	-151.4	2.6	-138.3	173	123.9	0	0	107.6
1023	A	27.9	Very low	28.4	Very low	84 Å²	84	139.1 Å²	139.1	69%	0.694	73%	0.734	S	S	*	*			cis	-169.7	171.4	-9.8	0	0	0	0	0	107
1024	K	30.6	Very low	28.3	Very low	161 Å²	161	138.8 Å²	138.8	70%	0.7	73%	0.73	S	S	*	*			cis	-170.5	121.3	-31.7	-104.2	172.2	167.5	163.4	0	109.1
1025	K	32.8	Very low	28.4	Very low	170 Å²	170	139.8 Å²	139.8	74%	0.739	73%	0.729	S	S	*	*			trans	64.2	158.1	149.8	-74.7	-179.4	146.5	-74.1	0	119.1
1026	D	29.9	Very low	28.5	Very low	130 Å²	130	142.1 Å²	142.1	70%	0.695	73%	0.732	S	S	*	*			cis	-153.6	176.8	-0.6	-115.5	-20	0	0	0	109.6
1027	G	27.2	Very low	28.6	Very low	60 Å²	60	140.2 Å²	140.2	62%	0.619	72%	0.724	S	S	*	*			cis	165.7	98.3	-6.7	0	0	0	0	0	116.7
1028	K	30.5	Very low	28.7	Very low	176 Å²	176	140 Å²	140	77%	0.765	73%	0.729	S	S	*	*			trans	71.9	112.9	143.5	-170.8	-172.9	177.3	-180	0	122.2	E1030	K1028-E1030 WeakPolarHBondContact CE-OE2 3.37Å; K1028-E1030 IonicContact NZ-OE2 3.7Å
1029	K	28.4	Very low	28.8	Very low	192 Å²	192	141.4 Å²	141.4	84%	0.835	73%	0.728	S	S	*	*				-170.7	138.1	121.8	-102.9	179	176.8	-177.3	0	107.8
1030	E	28.3	Very low	28.5	Very low	135 Å²	135	146.4 Å²	146.4	63%	0.631	74%	0.739	S	S	*	*				66.3	126	51.7	-84.4	-170.6	112.3	0	0	113.8	K1028	K1028-E1030 WeakPolarHBondContact CE-OE2 3.37Å; K1028-E1030 IonicContact NZ-OE2 3.7Å
1031	K	29.2	Very low	28.6	Very low	164 Å²	164	148.3 Å²	148.3	71%	0.713	75%	0.745	S	S	*	*			cis	-166	151	7.7	-170.4	174.1	175.4	179.4	0	114.4
1032	D	28	Very low	29.5	Very low	146 Å²	146	147.5 Å²	147.5	78%	0.781	75%	0.747	S	S	*	*			trans	34.6	147.5	158.5	-69	-49.6	0	0	0	123.9
1033	G	25.6	Very low	29.3	Very low	81 Å²	81	150.5 Å²	150.5	84%	0.835	76%	0.761	S	S	*	*			trans	-160.2	-29.4	170.8	0	0	0	0	0	116.3
1034	G	25.5	Very low	29.4	Very low	76 Å²	76	153.8 Å²	153.8	78%	0.784	76%	0.762	S	S	*	*			trans	77.9	176.9	177.5	0	0	0	0	0	115.1
1035	R	28.4	Very low	29.3	Very low	217 Å²	217	154.2 Å²	154.2	82%	0.819	76%	0.764	S	S	*	*			cis	-163.6	139.9	-11.5	-171.5	-172.3	-161.2	-105.4	12.6	109.3
1036	E	27.9	Very low	29.4	Very low	153 Å²	153	152.2 Å²	152.2	72%	0.715	77%	0.768	S	S	*	*			trans	163.1	144.8	136.8	-85.1	-77.1	101.5	0	0	110.6
1037	E	29.2	Very low	29.7	Very low	128 Å²	128	150.7 Å²	150.7	60%	0.598	77%	0.774	S	S	*	*			trans	-120.9	134.9	176.9	176.9	-160.4	169.2	0	0	108.1	R1039	E1037-R1039 IonicContact OE1-CZ 2.63Å; E1037-R1039 VanDerWaalsContact OE1-CZ 3.26Å; E1037-R1039 IonicContact OE1-NE 3.73Å; E1037-R1039 PolarHBondContact OE1-NE 3.38Å; E1037-R1039 IonicContact OE1-NH2 3.37Å; E1037-R1039 PolarHBondContact OE1-NH2 3.22Å
1038	I	29.7	Very low	29.8	Very low	166 Å²	166	159.5 Å²	159.5	85%	0.851	79%	0.788	S	S	*	*			trans	-154.2	146.3	148.5	-108.6	147.5	0	0	0	112.2
1039	R	29	Very low	29.8	Very low	192 Å²	192	156.3 Å²	156.3	73%	0.725	78%	0.784	S	S	*	*			trans	-100.4	158.3	-170.5	-52.7	162.4	-170	167.7	2.9	111.3	E1037	E1037-R1039 IonicContact OE1-CZ 2.63Å; E1037-R1039 VanDerWaalsContact OE1-CZ 3.26Å; E1037-R1039 IonicContact OE1-NE 3.73Å; E1037-R1039 PolarHBondContact OE1-NE 3.38Å; E1037-R1039 IonicContact OE1-NH2 3.37Å; E1037-R1039 PolarHBondContact OE1-NH2 3.22Å
1040	K	26.3	Very low	29.7	Very low	212 Å²	212	155 Å²	155	92%	0.922	79%	0.785	S	S	*	*			trans	-156.2	168.5	135.9	-109.6	148.2	-170.7	175.5	0	112.8
1041	K	28.9	Very low	29.6	Very low	202 Å²	202	156.9 Å²	156.9	88%	0.878	79%	0.791	S	S	*	*			trans	-125.1	167.8	-172.4	-105.8	-170.1	175.6	-177.8	0	110.4
1042	P	47.6	Very low	29.5	Very low	118 Å²	118	155.3 Å²	155.3	77%	0.766	80%	0.796	S	S	*	*			trans	-92.9	168.3	-152.3	36.9	-39.5	0	0	0	115.2
1043	E	24.7	Very low	29.5	Very low	198 Å²	198	156.8 Å²	156.8	93%	0.925	80%	0.795	S	S	*	*			trans	-132.3	-165.7	159.4	-136.1	168.5	-170.3	0	0	112
1044	H	29.3	Very low	29.6	Very low	152 Å²	152	159.8 Å²	159.8	70%	0.704	79%	0.792	S	S	*	*				-145.9	146.3	-127.8	-159.3	22.6	0	0	0	115.8
1045	K	29.3	Very low	29.7	Very low	171 Å²	171	163.4 Å²	163.4	74%	0.743	79%	0.793	S	S	*	*			trans	77.4	164.7	163.9	-70.9	165.4	-174.4	166	0	116.4
1046	P	35	Very low	29.6	Very low	128 Å²	128	161.4 Å²	161.4	83%	0.831	79%	0.791	S	S	*	*			cis	-123	-175.8	9	42.9	-29.2	0	0	0	116.1
1047	A	35.2	Very low	29.6	Very low	98 Å²	98	162.8 Å²	162.8	81%	0.81	79%	0.794	S	S	*	*			trans	-132.2	142.6	169.6	0	0	0	0	0	110.8
1048	R	30	Very low	30.1	Very low	244 Å²	244	162 Å²	162	92%	0.921	80%	0.801	S	S	*	*			trans	-156.4	166.4	170.3	-87.1	-175.7	162.4	150	-6.8	108.3
1049	T	29.3	Very low	29.9	Very low	109 Å²	109	162.5 Å²	162.5	67%	0.669	80%	0.804	S	S	*	*			cis	-170.8	138.4	-40.8	-81.9	0	0	0	0	104.6
1050	L	28.1	Very low	29.8	Very low	166 Å²	166	162.3 Å²	162.3	87%	0.869	81%	0.811	S	S	*	*			trans	-60.2	137.9	177.8	-68.9	162	0	0	0	112
1051	F	26	Very low	29.8	Very low	173 Å²	173	156.4 Å²	156.4	76%	0.759	80%	0.802	S	S	*	*			trans	-114.5	131.4	162.5	-97.8	-87.8	0	0	0	110.2	F1053	F1051-F1053 HydrophobicContact CD1-CD2 4.49Å; F1051-F1053 AromaticContact CD1-CE2 3.94Å; F1051-F1053 HydrophobicContact CD1-CE2 3.94Å; F1051-F1053 HydrophobicContact CE1-CE2 4.42Å
1052	T	26.2	Very low	29.7	Very low	132 Å²	132	155.1 Å²	155.1	81%	0.81	80%	0.798	S	S	*	*			trans	-119.9	129.3	169.8	51	0	0	0	0	107.8
1053	F	28.7	Very low	28.7	Very low	176 Å²	176	157.6 Å²	157.6	77%	0.772	80%	0.8	S	S	*	*			trans	-111.9	130.9	168.2	-92.6	-86.3	0	0	0	110.2	F1051	F1051-F1053 HydrophobicContact CD1-CD2 4.49Å; F1051-F1053 AromaticContact CD1-CE2 3.94Å; F1051-F1053 HydrophobicContact CD1-CE2 3.94Å; F1051-F1053 HydrophobicContact CE1-CE2 4.42Å
1054	D	26.5	Very low	29.3	Very low	144 Å²	144	153.1 Å²	153.1	77%	0.77	79%	0.788	S	S	*	*			trans	-123.9	120.8	169.9	178.9	15.5	0	0	0	106.6
1055	L	29.1	Very low	29	Very low	153 Å²	153	154 Å²	154	80%	0.801	80%	0.797	S	S	*	*			trans	-147	119.1	178.8	-92.8	174.5	0	0	0	108.8
1056	F	25.3	Very low	28.8	Very low	175 Å²	175	151.6 Å²	151.6	77%	0.768	80%	0.797	S	S	*	*			trans	-147.2	134.6	176.2	-130.4	-56.9	0	0	0	110.6
1057	K	27.7	Very low	28.3	Very low	182 Å²	182	154 Å²	154	79%	0.791	80%	0.802	S	S	*	*			trans	79.8	156.3	164.9	-53.1	-174.1	-176.9	180	0	116.9
1058	P	40.3	Very low	27.8	Very low	112 Å²	112	154 Å²	154	73%	0.727	80%	0.796	S	S	*	*			cis	-140.2	165.8	-37.4	36.3	-21	0	0	0	114.2
1059	L	25.7	Very low	27.5	Very low	175 Å²	175	150.5 Å²	150.5	92%	0.916	79%	0.794	S	S	*	*			trans	-152	163.1	140.6	-148.2	60.4	0	0	0	111.4
1060	E	25.6	Very low	27.3	Very low	189 Å²	189	150.4 Å²	150.4	88%	0.883	80%	0.798	S	S	*	*			trans	-109.5	170.8	-169.4	-69.1	171	104.3	0	0	112.8
1061	A	27.4	Very low	27.3	Very low	88 Å²	88	149.9 Å²	149.9	73%	0.727	80%	0.796	S	S	*	*			trans	-89.4	156.1	-177.9	0	0	0	0	0	113.1
1062	H	26.5	Very low	27.2	Very low	174 Å²	174	146.6 Å²	146.6	81%	0.806	80%	0.795	S	S	*	*			trans	-173.7	108.3	144	-99.3	-72.3	0	0	0	108.9
1063	Q	26	Very low	27.4	Very low	170 Å²	170	150.2 Å²	150.2	79%	0.794	79%	0.794	S	S	*	*				93	174.3	101.4	-116.1	-160.3	-19.1	0	0	113.1
1064	P	37.2	Very low	27.5	Very low	104 Å²	104	147.6 Å²	147.6	68%	0.675	79%	0.794	S	S	*	*				-122.8	169.2	-126	41.8	-26.9	0	0	0	115.3
1065	L	24.6	Very low	27.8	Very low	170 Å²	170	149.3 Å²	149.3	89%	0.89	80%	0.795	S	S	*	*			trans	-158.4	150.3	146.7	-113.8	164.3	0	0	0	111.6
1066	T	24.1	Very low	28.4	Very low	121 Å²	121	147.5 Å²	147.5	74%	0.742	79%	0.792	S	S	*	*			trans	-120.8	135.7	179.7	50.8	0	0	0	0	110.3
1067	L	25.4	Very low	28.6	Very low	180 Å²	180	146.6 Å²	146.6	94%	0.942	79%	0.79	S	S	*	*			trans	-130.2	161.4	153.2	-77.8	178.3	0	0	0	109.3
1068	S	23.9	Very low	28.5	Very low	97 Å²	97	144.4 Å²	144.4	68%	0.678	79%	0.792	S	S	*	*			trans	-153	172.7	-157.4	58.4	0	0	0	0	111.7
1069	L	24.7	Very low	28	Very low	170 Å²	170	145.1 Å²	145.1	89%	0.89	79%	0.79	S	S	*	*			trans	82	151.2	174.4	-54.1	158.9	0	0	0	113.3
1070	S	24.5	Very low	29.3	Very low	108 Å²	108	141.7 Å²	141.7	76%	0.755	78%	0.778	S	S	*	*			cis	-140.3	152.4	6	37.7	0	0	0	0	113.4
1071	D	27	Very low	29.4	Very low	154 Å²	154	144.2 Å²	144.2	82%	0.824	78%	0.78	S	S	*	*			trans	-96.2	137	163.6	164.5	34.3	0	0	0	109.7
1072	S	24	Very low	29.3	Very low	105 Å²	105	143.4 Å²	143.4	73%	0.734	78%	0.78	S	S	*	*			trans	-161.6	106.6	161.3	57.9	0	0	0	0	113
1073	R	31.5	Very low	30.5	Very low	207 Å²	207	141.2 Å²	141.2	78%	0.781	78%	0.781	S	S	*	*			trans	-70.5	163.7	166.2	-166.3	-159	-71.7	179.9	-7	111.8
1074	P	29.6	Very low	30.7	Very low	121 Å²	121	138.9 Å²	138.9	79%	0.786	78%	0.783	S	S	*	*				-131.4	151.7	129.9	37	-28.6	0	0	0	116.5
1075	K	33.8	Very low	30.4	Very low	181 Å²	181	139.1 Å²	139.1	79%	0.787	79%	0.787	S	S	*	*			trans	-142.2	147.3	154.2	-81	-163.9	174.8	-166	0	105.3
1076	P	41.8	Very low	30.9	Very low	114 Å²	114	140.6 Å²	140.6	74%	0.74	79%	0.787	S	S	*	*				-156.7	158.5	105.7	38.4	-20.2	0	0	0	117.5
1077	H	28.8	Very low	31.9	Very low	156 Å²	156	141.3 Å²	141.3	72%	0.722	79%	0.793	S	S	*	*			trans	37.6	153.8	139.8	-71.6	-83.3	0	0	0	122.6	D1079	H1077-D1079 IonicContact ND1-OD2 2.72Å; H1077-D1079 PolarHBondContact ND1-OD2 2.74Å
1078	T	25.4	Very low	32.1	Very low	137 Å²	137	135.5 Å²	135.5	84%	0.84	78%	0.777	S	S	*	*			cis	-150	159	46.1	38.4	0	0	0	0	117.8
1079	D	31.5	Very low	32.6	Very low	126 Å²	126	137.1 Å²	137.1	67%	0.674	79%	0.789	S	S	*	*			trans	-66	-175.5	167.5	-64.9	-89.4	0	0	0	114.2	H1077	H1077-D1079 IonicContact ND1-OD2 2.72Å; H1077-D1079 PolarHBondContact ND1-OD2 2.74Å
1080	P	52.3	Low	33.1	Very low	103 Å²	103	136.6 Å²	136.6	67%	0.669	79%	0.787	S	S	*	*			cis	-154.5	177.6	21.8	39.3	-14.5	0	0	0	122.4
1081	R	27.8	Very low	33.4	Very low	243 Å²	243	135.1 Å²	135.1	92%	0.917	78%	0.781	S	S	*	*			trans	122.5	148.3	146.5	-64	174.1	-163.9	-166.1	6.1	118.2
1082	G	24.8	Very low	33.7	Very low	70 Å²	70	138.9 Å²	138.9	72%	0.722	78%	0.784	S	S	*	*			trans	-124.6	-148	172	0	0	0	0	0	111.3
1083	P	52.3	Low	34.1	Very low	129 Å²	129	139.6 Å²	139.6	84%	0.838	78%	0.783	S	S	*	*			cis	-147.9	-165.7	15	45.3	-24.7	0	0	0	117.7
1084	S	30.1	Very low	34	Very low	120 Å²	120	137.6 Å²	137.6	84%	0.839	79%	0.788	S	S	*	*			trans	78.5	155.6	161.2	-130.4	0	0	0	0	118.3
1085	S	29.9	Very low	34.2	Very low	109 Å²	109	138 Å²	138	76%	0.762	79%	0.787	S	S	*	*			cis	-149.9	-170.5	11.1	70.6	0	0	0	0	114.8
1086	K	35.4	Very low	35.2	Very low	202 Å²	202	134.7 Å²	134.7	88%	0.878	79%	0.785	S	S	*	*			trans	-147.4	150.9	-179.6	-97.2	-173.4	177.8	-178.9	0	110
1087	P	46.1	Very low	34.6	Very low	135 Å²	135	134 Å²	134	88%	0.877	78%	0.782	S	S	*	*				-151.7	-170	83.4	37.4	-16.1	0	0	0	114
1088	G	29.9	Very low	34.7	Very low	59 Å²	59	136.1 Å²	136.1	61%	0.608	79%	0.789	S	S	*	*			cis	148.6	134.7	-16.9	0	0	0	0	0	115.9
1089	S	33.8	Very low	34.7	Very low	131 Å²	131	133 Å²	133	92%	0.916	78%	0.784	S	S	*	*			trans	62.3	167.6	161.2	44.4	0	0	0	0	120.4
1090	D	34	Very low	35.6	Very low	159 Å²	159	132.6 Å²	132.6	85%	0.85	79%	0.788	S	S	*	*			cis	-172.8	173.2	-39	-165.8	4.4	0	0	0	109.5
1091	A	31	Very low	34.6	Very low	77 Å²	77	136.8 Å²	136.8	64%	0.636	80%	0.796	S	S	*	*			trans	72.4	104.6	150.7	0	0	0	0	0	124.4
1092	R	33.8	Very low	34.8	Very low	233 Å²	233	131.2 Å²	131.2	88%	0.879	79%	0.789	S	S	*	*				64.3	125.2	111.5	-119.7	-173.9	-152.1	174.2	7.5	124.1
1093	T	31.9	Very low	35.2	Very low	119 Å²	119	136.1 Å²	136.1	73%	0.73	79%	0.791	S	S	*	*			trans	87.8	138.9	136	14.7	0	0	0	0	124.9
1094	L	30.7	Very low	34.2	Very low	166 Å²	166	135.5 Å²	135.5	87%	0.869	78%	0.78	S	S	*	*			trans	90.5	152.3	149.4	-72.7	168.5	0	0	0	122.4
1095	V	34.2	Very low	34.4	Very low	128 Å²	128	134.6 Å²	134.6	78%	0.776	77%	0.774	S	S	*	*			trans	-127.3	139.2	-165.9	168	0	0	0	0	106
1096	P	52.8	Low	34.9	Very low	113 Å²	113	137 Å²	137	73%	0.734	78%	0.777	S	S	*	*				-161.2	165.4	77.8	42.4	-20.8	0	0	0	120.4
1097	S	29.8	Very low	34.9	Very low	98 Å²	98	133.1 Å²	133.1	69%	0.685	76%	0.762	S	S	*	*				145.5	143	108.5	69.4	0	0	0	0	118.2
1098	K	30.4	Very low	34.2	Very low	201 Å²	201	128.3 Å²	128.3	87%	0.874	74%	0.737	S	S	*	*			trans	63	135	150.3	-66.1	164	-178	176.2	0	121.9
1099	G	27	Very low	34.4	Very low	71 Å²	71	133.6 Å²	133.6	73%	0.732	74%	0.744	S	S	*	*			trans	-92.2	-154	162	0	0	0	0	0	112.6
1100	P	50.3	Low	35.4	Very low	118 Å²	118	132.2 Å²	132.2	77%	0.766	73%	0.731	S	S	*	*			cis	-149.4	-161.4	31.4	38.5	-14	0	0	0	117.3
1101	K	30.8	Very low	35.4	Very low	192 Å²	192	129.2 Å²	129.2	84%	0.835	73%	0.729	S	S	*	*			trans	86.9	152.8	161.4	-70.2	176.5	178.6	-178.9	0	120.2
1102	V	32.6	Very low	35.5	Very low	126 Å²	126	130.3 Å²	130.3	76%	0.764	74%	0.738	S	S	*	*			cis	-178.7	164.3	-33.6	121.5	0	0	0	0	112.6
1103	K	32.8	Very low	35.4	Very low	173 Å²	173	124.5 Å²	124.5	75%	0.752	74%	0.74	S	S	*	*			trans	74.3	156.3	174.2	-74	-175.6	162.1	-80.7	0	118
1104	D	31.2	Very low	35.2	Very low	115 Å²	115	124 Å²	124	62%	0.615	75%	0.747	S	S	*	*			cis	-162.8	148.7	-21.7	-96.5	-12.8	0	0	0	107.3
1105	S	34.6	Very low	35.1	Very low	102 Å²	102	119.2 Å²	119.2	71%	0.713	74%	0.738	S	S	*	*				70	139.8	60.9	-80.1	0	0	0	0	117
1106	L	39.3	Very low	34.8	Very low	158 Å²	158	120.3 Å²	120.3	83%	0.827	74%	0.739	S	S	*	*			cis	-175.7	-173.2	-24.5	-125.8	178.3	0	0	0	111.9
1107	Q	35.8	Very low	33.8	Very low	121 Å²	121	122.3 Å²	122.3	57%	0.565	74%	0.738	S	S	*	*			trans	91	140.8	166.7	-48.7	-164	-0.5	0	0	118.3	T284	T284-Q1107 CarbonylContact O-C 3.53Å; T284-Q1107 VanDerWaalsContact O-C 3.25Å; T284-Q1107 WeakPolarHBondContact O-CB 3.36Å; T284-Q1107 PolarHBondContact OG1-OE1 3.32Å
1108	G	31.8	Very low	34	Very low	34 Å²	34	123.3 Å²	123.3	35%	0.351	74%	0.736	S	S	.	*			cis	170.7	-143	3.1	0	0	0	0	0	114.6	T284 I285	T284-G1108 VanDerWaalsContact C-CA 3.5Å; T284-G1108 CarbonylContact O-C 3.59Å; T284-G1108 WeakPolarHBondContact O-CA 3.39Å; T284-G1108 PolarHBondContact O-N 2.85Å; I285-G1108 WeakPolarHBondContact CB-O 3.43Å; I285-G1108 WeakPolarHBondContact CG2-O 2.96Å
1109	K	34.9	Very low	34	Very low	171 Å²	171	117.9 Å²	117.9	74%	0.743	72%	0.723	S	S	*	*			trans	-144.4	157.7	-177.9	-65	-169.4	178.4	-175.7	0	115.2
1110	P	54.2	Low	34.3	Very low	102 Å²	102	120.6 Å²	120.6	66%	0.662	72%	0.72	S	S	*	*				-140.7	-134.1	108.7	42.5	-28.6	0	0	0	116.2
1111	A	33.1	Very low	33.4	Very low	96 Å²	96	123.7 Å²	123.7	79%	0.793	72%	0.722	S	S	*	*			trans	-167	179.6	-150.6	0	0	0	0	0	119.2
1112	A	33.9	Very low	33.5	Very low	100 Å²	100	123.4 Å²	123.4	83%	0.826	72%	0.723	S	S	*	*			trans	101.8	152.1	136.5	0	0	0	0	0	124.7
1113	A	31	Very low	34.8	Very low	111 Å²	111	122 Å²	122	92%	0.917	72%	0.717	S	S	*	*			trans	94.5	152.1	149.9	0	0	0	0	0	122.8
1114	A	29	Very low	34.7	Very low	107 Å²	107	120.3 Å²	120.3	88%	0.884	72%	0.715	S	S	*	*			trans	-112.8	175.9	-153.8	0	0	0	0	0	116.8
1115	G	27.3	Very low	34.8	Very low	66 Å²	66	125.5 Å²	125.5	68%	0.68	73%	0.726	S	S	*	*			trans	136.6	131.3	141.7	0	0	0	0	0	120.5
1116	L	28.8	Very low	34.6	Very low	152 Å²	152	125.8 Å²	125.8	80%	0.796	72%	0.724	S	S	*	*			trans	56.4	124.3	148.3	-86.5	70.9	0	0	0	120.9
1117	Q	32	Very low	34	Very low	155 Å²	155	127.1 Å²	127.1	72%	0.724	73%	0.726	S	S	*	*				75.5	151.1	93.6	-76	-165.2	-78.3	0	0	115.6
1118	D	34.2	Very low	34	Very low	119 Å²	119	127.7 Å²	127.7	64%	0.636	74%	0.738	S	S	*	*			cis	-158.1	179.2	17.3	-156.1	29.6	0	0	0	115.8
1119	S	30.6	Very low	35	Very low	86 Å²	86	130.9 Å²	130.9	60%	0.601	75%	0.753	S	S	*	*			trans	81	146.8	146.7	-75.4	0	0	0	0	122.3
1120	L	33	Very low	34.8	Very low	128 Å²	128	130.9 Å²	130.9	67%	0.67	76%	0.755	S	S	*	*			cis	-167.6	143.6	-16.2	-108.1	175.2	0	0	0	114.5
1121	K	29.9	Very low	33.7	Very low	184 Å²	184	130.9 Å²	130.9	80%	0.8	75%	0.753	S	S	*	*			trans	76.2	155.1	148.6	-81.2	156.3	-176.5	163	0	125
1122	Q	32.8	Very low	33.6	Very low	185 Å²	185	133.3 Å²	133.3	86%	0.864	75%	0.748	S	S	*	*			trans	-124.4	-156.5	-179.7	-50.5	-178.1	-39.1	0	0	109.9
1123	P	61.1	Low	33.4	Very low	98 Å²	98	136 Å²	136	64%	0.636	74%	0.741	S	S	*	*			cis	-134.2	-175.3	-11	25	3.5	0	0	0	114.6
1124	L	31.1	Very low	33.8	Very low	137 Å²	137	134.5 Å²	134.5	72%	0.717	72%	0.718	S	S	*	*				171.4	136.6	86	-97.5	155.8	0	0	0	115.2
1125	R	32.7	Very low	34.1	Very low	223 Å²	223	137.8 Å²	137.8	84%	0.842	71%	0.713	S	S	*	*			trans	58.1	158.5	147.3	-77	-179.2	178.2	-174.2	-0.6	120.4
1126	T	29.5	Very low	34.4	Very low	108 Å²	108	139.6 Å²	139.6	66%	0.663	72%	0.715	S	S	*	*			cis	-155.2	145.1	9.7	-10.4	0	0	0	0	114.3
1127	Q	28.3	Very low	34.9	Very low	187 Å²	187	143.7 Å²	143.7	87%	0.874	74%	0.735	S	S	*	*			trans	60.9	156.3	148.1	-80	174.7	11	0	0	124.6
1128	T	34.7	Very low	35.1	Very low	132 Å²	132	143.2 Å²	143.2	81%	0.81	74%	0.736	S	S	*	*			trans	-100.3	178.3	-173.9	44.5	0	0	0	0	112.4
1129	P	52.8	Low	35.1	Very low	102 Å²	102	144.4 Å²	144.4	66%	0.662	74%	0.741	S	S	*	*			cis	-150.3	-177	26.5	45.7	-24.1	0	0	0	119.6
1130	Q	30.9	Very low	35.4	Very low	170 Å²	170	147.7 Å²	147.7	79%	0.794	75%	0.749	S	S	*	*			trans	36.4	154.1	140	-68.4	-177.2	-84.6	0	0	122.5
1131	T	30.9	Very low	35.5	Very low	102 Å²	102	148.8 Å²	148.8	63%	0.626	75%	0.753	S	S	*	*			cis	-172.9	156.2	-5.4	22.5	0	0	0	0	109.9
1132	Q	31.6	Very low	35.9	Very low	148 Å²	148	146.6 Å²	146.6	69%	0.692	75%	0.75	S	S	*	*			trans	46.6	154.1	143.9	-66.8	-172.8	11.5	0	0	120.3
1133	K	30.5	Very low	36.1	Very low	156 Å²	156	144.1 Å²	144.1	68%	0.678	74%	0.743	S	S	*	*			cis	-143.4	-160.6	29.9	-154.5	139.4	-172.9	51.8	0	114.9
1134	D	37.8	Very low	34.3	Very low	79 Å²	79	147.4 Å²	147.4	42%	0.422	75%	0.75	S	S	.	*			trans	-152.4	158	-144.3	33.6	-108.6	0	0	0	113.6
1135	F	36.6	Very low	34.5	Very low	177 Å²	177	148.2 Å²	148.2	78%	0.776	75%	0.753	S	S	*	*			trans	82.6	130.7	171.5	-58.8	-71.9	0	0	0	118.1
1136	S	33	Very low	34.7	Very low	103 Å²	103	141.9 Å²	141.9	72%	0.72	75%	0.745	S	S	*	*				85.9	157.6	54.4	-57.2	0	0	0	0	112.6
1137	I	39.7	Very low	35.2	Very low	239 Å²	239	145 Å²	145	100%	1.226	75%	0.753	S	S	*	*			cis	-126.3	0	18.5	-61	168.2	0	0	0	110.6

Retrieved 1,137 of 1,137 residues in 897.3 ms (Link to these results)

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