A0A087XBQ3_POEFO Loading...

ubiquitinyl hydrolase 1

AlphaFold DB , UniProt , Accession A0A087XBQ3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,225 aa.

						>A0A087XBQ3_POEFO|A0A087XBQ3
MDSRKESNTRKQPMKSKTSKEQKHKSGKFVRRKSLRSFGNFMGRILKTLGTLAHLGDAEPPDAEEDDGGFVRSASGGFRDDFSQTSRGEATKRSSAVSSYHGSVKERLSWCYGDKTPGVLGLKNHGNTCFMNAVVQCLSNTDLLAEYLGLGQYKSDISSGRTNGEVRADEARSSEGEVTEQLASLVRALWTLDYTPQMSGEFKSIVSKYASQFRGNSQHDALEFLLWLLDRVHEDANPTPDNNNSSKTKASSKATSASENPSSLPSTQQPRGRHSFVKEHFQAQYRSSLTCPHCLKQSNTFDPFLCISLPLPLRQTRPLCVTLVFSTKGQRYLQVGLAVPLFGSVSSLRAMVAAEGNIAPDQVILSELYSTGFQRSFSDDDDLTAIADSDVVYAFQAPPNSSRGGSAPHSGYHHSLPSSPYSSTTGPNGQKLPASGRLSSEYLNQSSSSKVLLLMCNTTGSGQQAARFGPPFLMLEDRNISWEQLQQSILSQQYYLMVNGSQAQNAGVEFKVRVVGGSAASSYLSPKDSRPLCHPAVDRALKSCGPGGPPHVKLVIEWGHSSKERLFGNIHEEVVKDAESVRSQQQQHLQQHNCTLDECFQLYTKEEQLAPDDAWKCPHCKQLQQGMVKMSLWTLPDILILHLKRFRQVGERRNKLSTLVRFPLTALNMAPHVAKSSQSMKNLHSGSSSSSRKQTSGQTHPPADSLLPQDCLYDLYAVCNHHGGMHGGHYTAYCRNSVDGQWYSYDDSSVDLVPEDEVCTKGAYILFYQRRNVIPPWSASSSVRGSISSSVSDHWLIRLTGESKRGSLVSPSSNNVSSLSDSAEPPVFHNKDFEEERGGFESRPFVRGLQGRSVSMRVPSKPKESLSKRFPLRWSLGSKERRKPEQASPPAQDPDPAELVEYLESGRRPRCTKDSIVTVMNESRSSKKPSVGRAASVRSAAVGSMSCVGKMEEEPHYTQVPEGQRRPSERPSEKTASLRRKKENVAKEESSGNMSASSGSNTLSRRKEGRRESSAKASQDSERKPSSSTGIRPSYSTPSLQDGTLRRQKGDKANKDHHSSEADKSKTTKDEVPKSQDSLLSFLKGNFLKKDKDSKKSKDGESGKKGGEEEGRRTSSRMSLPNGAAGGRTGVEGSKSNSSGRRTDELANGKLGRSTADIRRSQSSSNIPTKAEQSIRRTASLHRNGMSTTPGQRLTSDKQSHSTLQRNRYSTNSLGRKKTVPESSF
					

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Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.1	Very low	28.7	Very low	224 Å²	224	165.8 Å²	165.8	100%	1.103	81%	0.81	S	S	*	*				0	85.1	0	-63.4	177.8	178.5	0	0	107.1
2	D	27.1	Very low	28.4	Very low	152 Å²	152	167.3 Å²	167.3	81%	0.813	81%	0.814	S	S	*	*			cis	81.1	135.2	43.4	-56	-54	0	0	0	112.7
3	S	28.8	Very low	29.4	Very low	118 Å²	118	162.4 Å²	162.4	83%	0.825	80%	0.803	S	S	*	*			cis	-158.4	170.4	-2.1	41.8	0	0	0	0	114.7
4	R	33.6	Very low	28.9	Very low	222 Å²	222	161.5 Å²	161.5	84%	0.838	80%	0.799	S	S	*	*			trans	-77.2	157.9	-177.8	-63.5	162.7	159.5	167.3	-9.7	115.2
5	K	29.5	Very low	28.6	Very low	189 Å²	189	162.3 Å²	162.3	82%	0.822	80%	0.795	S	S	*	*				-179.4	137	120.8	-93.5	159.9	179.2	-178	0	108.2
6	E	31.1	Very low	28.2	Very low	161 Å²	161	158.1 Å²	158.1	75%	0.752	79%	0.788	S	S	*	*				71.7	135	50.9	-66.9	-174.1	129.6	0	0	114.1
7	S	28.6	Very low	28	Very low	91 Å²	91	160.5 Å²	160.5	64%	0.636	79%	0.792	S	S	*	*			cis	-167.3	-166.4	-8.3	58.6	0	0	0	0	111.2
8	N	26.8	Very low	27.9	Very low	142 Å²	142	159.4 Å²	159.4	76%	0.759	80%	0.796	S	S	*	*			trans	75.7	144.7	172.2	-61.1	-26.8	0	0	0	118.5
9	T	27.4	Very low	27.7	Very low	116 Å²	116	157.1 Å²	157.1	71%	0.712	80%	0.796	S	S	*	*			cis	-153.8	117.4	-15.3	11.9	0	0	0	0	113.8
10	R	27.9	Very low	27.5	Very low	223 Å²	223	158.6 Å²	158.6	84%	0.842	80%	0.798	S	S	*	*				47.4	118.7	120.7	-150.3	-170.4	-173.3	174.2	3.2	122
11	K	26.3	Very low	27.3	Very low	186 Å²	186	158 Å²	158	81%	0.809	79%	0.792	S	S	*	*			trans	140.2	121.9	132.4	-76.4	-172.1	-178.3	177.3	0	115.4
12	Q	24.3	Very low	27.1	Very low	183 Å²	183	153.5 Å²	153.5	86%	0.855	77%	0.768	S	S	*	*			trans	-84.3	-178.5	156.8	-83.3	-165.3	6.3	0	0	109.8
13	P	41.2	Very low	27	Very low	104 Å²	104	153.7 Å²	153.7	68%	0.675	76%	0.762	S	S	*	*			cis	-155.3	-175.2	24.9	46.7	-24.9	0	0	0	121.2
14	M	23.3	Very low	26.8	Very low	150 Å²	150	155 Å²	155	74%	0.739	76%	0.755	S	S	*	*			trans	84.2	128.9	144.3	-69.9	-128	177.7	0	0	124.9
15	K	23.3	Very low	26.3	Very low	173 Å²	173	153.1 Å²	153.1	75%	0.752	75%	0.753	S	S	*	*			trans	79.6	98.6	133.2	-77.4	176.4	175.7	168.9	0	124.3
16	S	23.4	Very low	26.3	Very low	96 Å²	96	150 Å²	150	67%	0.671	75%	0.754	S	S	*	*				70.7	133	112.8	72.3	0	0	0	0	124.7
17	K	24.7	Very low	26.1	Very low	198 Å²	198	146 Å²	146	86%	0.861	76%	0.757	S	S	*	*			trans	62.4	136.1	157.6	-62.5	179	177.6	-178.4	0	115.5
18	T	25.3	Very low	26	Very low	142 Å²	142	150.6 Å²	150.6	87%	0.871	77%	0.765	S	S	*	*			cis	-147.1	-173.8	36.9	45.8	0	0	0	0	112
19	S	23.8	Very low	25.9	Very low	114 Å²	114	153.7 Å²	153.7	80%	0.797	77%	0.772	S	S	*	*			trans	-144.1	134.4	173.2	59.8	0	0	0	0	113.9
20	K	24.6	Very low	25.8	Very low	188 Å²	188	153.5 Å²	153.5	82%	0.817	77%	0.771	S	S	*	*			trans	-172.6	137.1	153.1	-112.9	-176.4	-179.3	-172.3	0	111.4
21	E	23.6	Very low	25.7	Very low	146 Å²	146	154.9 Å²	154.9	68%	0.682	78%	0.776	S	S	*	*			trans	65.4	152.5	156.1	-60.9	-169.6	82	0	0	118.3
22	Q	25.5	Very low	25.7	Very low	129 Å²	129	156.6 Å²	156.6	60%	0.603	78%	0.777	S	S	*	*			cis	-148	153.4	-6.9	-130.8	-173.9	78.6	0	0	111
23	K	24.2	Very low	25.7	Very low	156 Å²	156	158 Å²	158	68%	0.678	78%	0.781	S	S	*	*			trans	28.4	142.9	152.1	-70.9	170	-168.1	155.3	0	120.5
24	H	23.8	Very low	24.9	Very low	146 Å²	146	158 Å²	158	68%	0.676	78%	0.783	S	S	*	*			cis	-170	157.5	48.6	-131.2	-18.5	0	0	0	115.3
25	K	24.9	Very low	25	Very low	183 Å²	183	157.9 Å²	157.9	80%	0.796	79%	0.785	S	S	*	*			trans	64.8	114.8	151.6	-67.1	171.7	-175.1	176.3	0	120.6
26	S	28.5	Very low	25.2	Very low	123 Å²	123	160.8 Å²	160.8	86%	0.86	79%	0.791	S	S	*	*			trans	-140.2	161.8	146.8	62.4	0	0	0	0	110.2
27	G	26.5	Very low	25.3	Very low	78 Å²	78	160.6 Å²	160.6	80%	0.804	79%	0.789	S	S	*	*			trans	-82.3	164.7	-168.7	0	0	0	0	0	116.1
28	K	26.6	Very low	25.3	Very low	187 Å²	187	161.7 Å²	161.7	81%	0.813	80%	0.795	S	S	*	*			trans	-107.1	141.3	-179.3	-58.8	173.3	-179.2	174.6	0	111.9
29	F	24.7	Very low	25.2	Very low	206 Å²	206	157.3 Å²	157.3	90%	0.904	78%	0.778	S	S	*	*			trans	-174.2	100.3	137.3	-91.1	-65.5	0	0	0	106.7
30	V	24.8	Very low	25.3	Very low	112 Å²	112	159.8 Å²	159.8	68%	0.679	78%	0.782	S	S	*	*				60.2	108.4	73.6	-177.3	0	0	0	0	113.5	R32	V30-R32 HydrophobicContact CG1-CG 4.39Å
31	R	26.4	Very low	25.4	Very low	252 Å²	252	160.5 Å²	160.5	95%	0.951	79%	0.786	S	S	*	*			trans	-125.3	127.1	152	-167	170.4	-173.2	163.3	3.2	109.3
32	R	27.2	Very low	25.6	Very low	223 Å²	223	161.5 Å²	161.5	84%	0.842	79%	0.793	S	S	*	*			trans	-83.6	156.1	-175.1	-65.8	168.5	167	157.7	-8.5	112.3	V30	V30-R32 HydrophobicContact CG1-CG 4.39Å
33	K	24.6	Very low	25.6	Very low	212 Å²	212	159 Å²	159	92%	0.922	80%	0.801	S	S	*	*			trans	-129.6	134.5	133.1	-76	-167.8	175.3	-175.4	0	108.8
34	S	23.8	Very low	25.8	Very low	105 Å²	105	162.3 Å²	162.3	73%	0.734	81%	0.81	S	S	*	*			trans	-89.6	151.8	168.9	-149.3	0	0	0	0	107.8
35	L	24.8	Very low	26	Very low	147 Å²	147	162.9 Å²	162.9	77%	0.77	82%	0.816	S	S	*	*			cis	69	132.5	32.2	-87.9	180	0	0	0	116.5
36	R	28.3	Very low	26.1	Very low	234 Å²	234	162 Å²	162	88%	0.883	82%	0.819	S	S	*	*			trans	69.5	147.5	171.5	-66.4	178.8	-171	-120.7	-0.4	115.1
37	S	25.2	Very low	26	Very low	91 Å²	91	165 Å²	165	64%	0.636	82%	0.817	S	S	*	*			cis	-159.7	152.3	-9.7	174.7	0	0	0	0	108.8	G39	S37-G39 PolarHBondContact OG-N 3.38Å
38	F	24.1	Very low	26.1	Very low	221 Å²	221	167.7 Å²	167.7	97%	0.969	82%	0.817	S	S	*	*			trans	-143.1	82.5	151.4	-124.9	-80.5	0	0	0	111.5
39	G	23.1	Very low	26.1	Very low	51 Å²	51	167 Å²	167	53%	0.526	82%	0.821	S	S	.	*			trans	-144	102.5	167	0	0	0	0	0	108.6	S37	S37-G39 PolarHBondContact OG-N 3.38Å
40	N	27.2	Very low	26.1	Very low	166 Å²	166	160.1 Å²	160.1	89%	0.888	81%	0.809	S	S	*	*			trans	174.6	71	158.2	-95.5	-1.6	0	0	0	110.7
41	F	26.2	Very low	26.3	Very low	202 Å²	202	161.5 Å²	161.5	89%	0.886	82%	0.818	S	S	*	*			trans	-143.4	54.2	156.4	-161.1	-96.9	0	0	0	111.8
42	M	26.8	Very low	26.3	Very low	168 Å²	168	157.1 Å²	157.1	83%	0.828	81%	0.812	S	S	*	*			trans	-141.8	100.9	148.8	-79.6	-53.8	-83.1	0	0	106.6
43	G	26.4	Very low	26.2	Very low	76 Å²	76	150.3 Å²	150.3	78%	0.784	80%	0.804	S	S	*	*			trans	-150.9	18.7	-169.8	0	0	0	0	0	114
44	R	27.9	Very low	26.2	Very low	226 Å²	226	148.2 Å²	148.2	85%	0.853	80%	0.797	S	S	*	*	S	Bend	trans	-151.1	154.3	170.9	-92	169.2	-164.3	173.1	4.2	107.9
45	I	27.9	Very low	26.4	Very low	158 Å²	158	151.2 Å²	151.2	81%	0.81	80%	0.804	S	S	*	*			trans	66.2	68.4	-177.3	-41.7	178.7	0	0	0	113.3
46	L	26.9	Very low	26.4	Very low	163 Å²	163	148.1 Å²	148.1	85%	0.853	81%	0.808	S	S	*	*			trans	-135.2	62.9	146.4	-137.6	177.7	0	0	0	110.1
47	K	27.5	Very low	26.3	Very low	188 Å²	188	144.8 Å²	144.8	82%	0.817	81%	0.808	S	S	*	*			trans	-147.5	128.4	156.7	-74.6	-171.6	176	-174.3	0	103.2
48	T	27.7	Very low	26.4	Very low	133 Å²	133	144.7 Å²	144.7	82%	0.816	81%	0.813	S	S	*	*			cis	-128.3	170.1	20.2	43.8	0	0	0	0	113.3
49	L	27.1	Very low	26.5	Very low	172 Å²	172	142.6 Å²	142.6	90%	0.901	81%	0.806	S	S	*	*			trans	-123	147.4	165	-97.3	169.1	0	0	0	108.7
50	G	25	Very low	27.5	Very low	62 Å²	62	145.2 Å²	145.2	64%	0.639	81%	0.814	S	S	*	*			trans	89.7	146.3	179.7	0	0	0	0	0	114.5
51	T	28.2	Very low	28.7	Very low	142 Å²	142	141.8 Å²	141.8	87%	0.871	80%	0.8	S	S	*	*			cis	-153.2	176.5	-0.8	-41.4	0	0	0	0	111.2
52	L	25.8	Very low	28.8	Very low	159 Å²	159	139.6 Å²	139.6	83%	0.832	80%	0.798	S	S	*	*			trans	-45.4	134.1	-172.3	-92.9	64.7	0	0	0	119.9
53	A	26.5	Very low	29.1	Very low	81 Å²	81	136 Å²	136	67%	0.669	80%	0.795	S	S	*	*				67	148.3	113.5	0	0	0	0	0	125
54	H	24.8	Very low	29.4	Very low	168 Å²	168	140.7 Å²	140.7	78%	0.778	80%	0.797	S	S	*	*			trans	79.2	119.3	159.6	-79.6	-76.4	0	0	0	122.3
55	L	26.4	Very low	29.5	Very low	167 Å²	167	138.2 Å²	138.2	87%	0.874	79%	0.794	S	S	*	*			trans	43.9	124	136.1	-60.6	168.7	0	0	0	120.4
56	G	24.8	Very low	29.7	Very low	83 Å²	83	137.9 Å²	137.9	86%	0.856	79%	0.794	S	S	*	*			trans	-178.1	155	164.6	0	0	0	0	0	111.6
57	D	25.9	Very low	30	Very low	163 Å²	163	136.9 Å²	136.9	87%	0.872	79%	0.79	S	S	*	*			trans	-135	164.5	-178.4	-157.4	-7.7	0	0	0	109.9
58	A	27.7	Very low	30.1	Very low	90 Å²	90	131.7 Å²	131.7	74%	0.744	79%	0.789	S	S	*	*			trans	61.3	133.6	164.4	0	0	0	0	0	122.8
59	E	27.8	Very low	30.1	Very low	177 Å²	177	128 Å²	128	83%	0.827	78%	0.779	S	S	*	*			trans	-46.6	172.7	151.8	-71.7	-135.7	133.1	0	0	118.1
60	P	42.4	Very low	30.1	Very low	106 Å²	106	129.6 Å²	129.6	69%	0.688	78%	0.779	S	S	*	*			cis	-122.6	-104.1	-48.4	26.5	-4.9	0	0	0	115.7
61	P	54.1	Low	30.4	Very low	94 Å²	94	132 Å²	132	61%	0.61	78%	0.78	S	S	*	*				-124.9	-158.7	-126.4	40.1	-18.1	0	0	0	114.7
62	D	27.8	Very low	30.5	Very low	156 Å²	156	136.2 Å²	136.2	83%	0.834	78%	0.78	S	S	*	*			trans	73.2	145.6	166.8	-56.8	-20.1	0	0	0	116.1
63	A	33.3	Very low	30.6	Very low	93 Å²	93	133.2 Å²	133.2	77%	0.769	77%	0.772	S	S	*	*			cis	-157.8	-169.7	-15.9	0	0	0	0	0	110.3
64	E	32	Very low	30.6	Very low	174 Å²	174	133.6 Å²	133.6	81%	0.813	78%	0.776	S	S	*	*			trans	-57.3	167.2	173	-58.3	161.8	144.1	0	0	111.7
65	E	29.9	Very low	30.8	Very low	173 Å²	173	131.1 Å²	131.1	81%	0.808	78%	0.777	S	S	*	*			cis	-166.7	173.7	28	-153.7	166.9	-153.9	0	0	112.7
66	D	32.6	Very low	30.8	Very low	151 Å²	151	127.2 Å²	127.2	81%	0.807	78%	0.778	S	S	*	*			trans	80	178.7	147.7	-142.9	56.7	0	0	0	122.5
67	D	33.3	Very low	30.8	Very low	143 Å²	143	126.3 Å²	126.3	77%	0.765	77%	0.768	S	S	*	*				-105.4	159.1	-120.6	-161.4	4	0	0	0	116.7	G69	D67-G69 PolarHBondContact OD1-N 3.47Å
68	G	29.8	Very low	30.7	Very low	78 Å²	78	128.1 Å²	128.1	80%	0.804	77%	0.769	S	S	*	*			trans	-156.4	2.3	-168.3	0	0	0	0	0	118.9
69	G	27.9	Very low	30.6	Very low	57 Å²	57	132.8 Å²	132.8	59%	0.588	77%	0.767	S	S	*	*			trans	89	120.2	154.3	0	0	0	0	0	121.8	D67	D67-G69 PolarHBondContact OD1-N 3.47Å
70	F	27.2	Very low	30.6	Very low	205 Å²	205	130.2 Å²	130.2	90%	0.899	76%	0.759	S	S	*	*			trans	71.3	115.5	133.8	-89.9	-119	0	0	0	123.4
71	V	30.6	Very low	29.8	Very low	112 Å²	112	131.3 Å²	131.3	68%	0.679	76%	0.759	S	S	*	*			trans	100.5	106.3	134.3	174.8	0	0	0	0	120.7
72	R	29.8	Very low	28.4	Very low	231 Å²	231	134.8 Å²	134.8	87%	0.872	77%	0.765	S	S	*	*			trans	52.1	142.6	140.2	-67.3	179	162.7	173.3	-7.4	119.9
73	S	27.2	Very low	28.4	Very low	95 Å²	95	131.7 Å²	131.7	66%	0.664	76%	0.756	S	S	*	*			cis	-162.2	148.6	-6.9	-90.3	0	0	0	0	106.7
74	A	28.3	Very low	28.1	Very low	89 Å²	89	135.4 Å²	135.4	74%	0.736	76%	0.757	S	S	*	*				36.4	135.6	88.8	0	0	0	0	0	115.8
75	S	28.8	Very low	27.8	Very low	116 Å²	116	133.2 Å²	133.2	81%	0.811	76%	0.756	S	S	*	*			cis	-178.5	153.5	-3.3	48.3	0	0	0	0	111.4
76	G	25.2	Very low	27.7	Very low	86 Å²	86	129.5 Å²	129.5	89%	0.887	75%	0.749	S	S	*	*			trans	77.5	170.7	162.5	0	0	0	0	0	116.1
77	G	24.3	Very low	27.5	Very low	64 Å²	64	134.4 Å²	134.4	66%	0.66	76%	0.756	S	S	*	*			cis	154.1	161.3	-4.7	0	0	0	0	0	111.8
78	F	24.5	Very low	27.1	Very low	201 Å²	201	131.4 Å²	131.4	88%	0.882	76%	0.759	S	S	*	*			trans	66.1	157.4	176.8	-71.7	-108.6	0	0	0	115.5
79	R	26	Very low	26.9	Very low	187 Å²	187	137 Å²	137	71%	0.706	76%	0.764	S	S	*	*			cis	-173.3	161.1	-38.2	-134	-175	175.9	-136.1	16.1	108.4
80	D	26.9	Very low	27	Very low	123 Å²	123	138.3 Å²	138.3	66%	0.658	77%	0.769	S	S	*	*			trans	60.4	171.4	155.9	-56	-14.6	0	0	0	116.1
81	D	26	Very low	27	Very low	130 Å²	130	135.8 Å²	135.8	70%	0.695	77%	0.771	S	S	*	*				-158.5	-179.1	-50.1	-166.9	3.9	0	0	0	108.7
82	F	26.1	Very low	26.9	Very low	167 Å²	167	140 Å²	140	73%	0.732	78%	0.78	S	S	*	*			trans	67.2	103.7	161.3	-79.6	-79.6	0	0	0	122.8
83	S	26.2	Very low	26.8	Very low	91 Å²	91	141.3 Å²	141.3	64%	0.636	79%	0.785	S	S	*	*				54.1	130.4	119.7	74.5	0	0	0	0	125
84	Q	28.1	Very low	26.9	Very low	170 Å²	170	141.8 Å²	141.8	79%	0.794	79%	0.788	S	S	*	*			trans	69.8	137.1	133.4	-75.4	-171.9	-2.8	0	0	122.6
85	T	26.1	Very low	27.1	Very low	129 Å²	129	142.3 Å²	142.3	79%	0.791	79%	0.787	S	S	*	*			trans	64.8	154.7	155.5	53.8	0	0	0	0	118.6
86	S	26.5	Very low	27.1	Very low	94 Å²	94	142 Å²	142	66%	0.657	79%	0.791	S	S	*	*			cis	-170.2	146.7	-30	58.5	0	0	0	0	110.2
87	R	28	Very low	27.6	Very low	255 Å²	255	144.3 Å²	144.3	96%	0.962	79%	0.788	S	S	*	*			trans	63.2	150.2	169.8	-66.6	174.4	159.6	179.4	-7.3	116.5
88	G	25.3	Very low	27.7	Very low	80 Å²	80	146.2 Å²	146.2	83%	0.825	79%	0.791	S	S	*	*			trans	154.4	118.5	172.8	0	0	0	0	0	110.8
89	E	27.1	Very low	28	Very low	196 Å²	196	141.6 Å²	141.6	92%	0.916	78%	0.783	S	S	*	*			trans	-96.9	152	-176.6	-100.5	-179.4	95.9	0	0	113.6
90	A	28.8	Very low	28.5	Very low	84 Å²	84	141.8 Å²	141.8	69%	0.694	79%	0.785	S	S	*	*			trans	52.8	114.6	148.4	0	0	0	0	0	120.2
91	T	27.3	Very low	29.2	Very low	152 Å²	152	144.9 Å²	144.9	93%	0.933	80%	0.795	S	S	*	*				-145	151.2	118.4	-15.3	0	0	0	0	111.3
92	K	29.4	Very low	30.4	Very low	199 Å²	199	140.2 Å²	140.2	87%	0.865	78%	0.778	S	S	*	*			trans	-85.4	141.8	-173.3	-59.3	168.7	-178.1	171.6	0	111.5
93	R	26.8	Very low	32.3	Very low	259 Å²	259	135.4 Å²	135.4	98%	0.977	77%	0.765	S	S	*	*			trans	-133.2	127.5	138.9	-75.9	-166	175.2	-175.3	-0.7	109
94	S	29.7	Very low	34.3	Very low	105 Å²	105	133 Å²	133	73%	0.734	75%	0.746	S	S	*	*			trans	-99.3	133.9	-175.9	49.7	0	0	0	0	111.7
95	S	31.2	Very low	36.2	Very low	101 Å²	101	130.1 Å²	130.1	71%	0.706	73%	0.732	S	S	*	*			trans	51.5	106.4	142.4	62	0	0	0	0	119.5
96	A	28.8	Very low	38.3	Very low	108 Å²	108	129.1 Å²	129.1	89%	0.893	72%	0.718	S	S	*	*				-109.2	133.2	122.5	0	0	0	0	0	107
97	V	35.6	Very low	40.6	Very low	136 Å²	136	129 Å²	129	82%	0.824	70%	0.703	S	S	*	*			trans	-101.6	129.1	-177.6	175.3	0	0	0	0	109.3
98	S	26.8	Very low	43	Very low	103 Å²	103	117 Å²	117	72%	0.72	66%	0.658	S	S	*	*			trans	-116.9	153.8	162.7	-167.3	0	0	0	0	109
99	S	30.4	Very low	45.5	Very low	104 Å²	104	115.6 Å²	115.6	73%	0.727	64%	0.635	S	S	*	*			trans	-77.4	134.5	-165	44.2	0	0	0	0	113.8	H101	S99-H101 PolarHBondContact O-N 2.86Å
100	Y	38.2	Very low	47.6	Very low	192 Å²	192	115.1 Å²	115.1	75%	0.753	63%	0.625	S	S	*	*			trans	-80.9	102.7	174.8	-77.3	-70.6	0	0	0	111.8	W110	Y100-W110 AromaticContact CD1-CH2 3.94Å; Y100-W110 HydrophobicContact CD1-CH2 3.94Å; Y100-W110 AromaticContact CE1-CH2 3.52Å; Y100-W110 HydrophobicContact CE1-CH2 3.52Å; Y100-W110 AromaticContact CE1-CZ2 3.98Å; Y100-W110 HydrophobicContact CE1-CZ2 3.98Å
101	H	40.3	Very low	49.8	Very low	187 Å²	187	114.4 Å²	114.4	87%	0.866	61%	0.614	S	S	*	*			trans	-126.4	63.7	158.3	-85.9	-77.9	0	0	0	110.3	S99	S99-H101 PolarHBondContact O-N 2.86Å
102	G	51.2	Low	52.3	Low	32 Å²	32	109 Å²	109	33%	0.33	58%	0.577	S	S	.	*			trans	-73.2	152.3	169.1	0	0	0	0	0	111.9	E106	G102-E106 WeakPolarHBondContact CA-OE2 3.38Å
103	S	66.4	Low	54.7	Low	67 Å²	67	101.2 Å²	101.2	47%	0.469	55%	0.553	S	S	.	*			trans	-58.3	154.2	176.7	178.1	0	0	0	0	111.9	K105 E106 R107	S103-K105 PolarHBondContact O-N 3.05Å; S103-K105 VanDerWaalsContact O-N 3.15Å; S103-K105 PolarHBondContact OG-N 3.01Å; S103-E106 PolarHBondContact N-OE2 2.84Å; S103-E106 WeakPolarHBondContact O-CB 3.46Å; S103-E106 PolarHBondContact O-N 3.17Å; S103-R107 PolarHBondContact O-N 3.34Å
104	V	68.4	Low	57.3	Low	39 Å²	39	97.1 Å²	97.1	24%	0.236	55%	0.551	C	S	.	*	H	α-helix	trans	-52.2	-37.5	172.9	176.3	0	0	0	0	110.9	L108 H794 I797	V104-L108 HydrophobicContact CG1-CD1 3.98Å; V104-L108 WeakPolarHBondContact O-CB 3.42Å; V104-L108 WeakPolarHBondContact O-CG 3.11Å; V104-L108 PolarHBondContact O-N 3.29Å; V104-H794 HydrophobicContact CG1-CB 3.8Å; V104-I797 HydrophobicContact CG1-CD1 4.22Å
105	K	67.9	Low	60.1	Low	111 Å²	111	99 Å²	99	48%	0.483	55%	0.546	S	S	.	.	H	α-helix	trans	-65.1	-37.3	176.1	-174.1	167.2	-177.1	162.4	0	113.2	S103 S109	S103-K105 PolarHBondContact O-N 3.05Å; S103-K105 VanDerWaalsContact O-N 3.15Å; S103-K105 PolarHBondContact OG-N 3.01Å; K105-S109 PolarHBondContact O-N 3.23Å
106	E	70.8	Confident	62.9	Low	108 Å²	108	95.7 Å²	95.7	51%	0.505	52%	0.521	S	S	.	.	H	α-helix	trans	-75.3	-39.6	178.5	-63.1	169.5	156.6	0	0	111.3	G102 S103 L108 S109 W110	G102-E106 WeakPolarHBondContact CA-OE2 3.38Å; S103-E106 PolarHBondContact N-OE2 2.84Å; S103-E106 WeakPolarHBondContact O-CB 3.46Å; S103-E106 PolarHBondContact O-N 3.17Å; E106-L108 VanDerWaalsContact C-N 3.29Å; E106-L108 PolarHBondContact O-N 3.22Å; E106-S109 PolarHBondContact O-N 3.45Å; E106-S109 PolarHBondContact O-OG 2.93Å; E106-W110 PolarHBondContact O-N 3.16Å
107	R	74.7	Confident	66	Low	92 Å²	92	90.8 Å²	90.8	35%	0.347	48%	0.48	S	S	.	.	H	α-helix	trans	-66.7	-32	174.6	-69.4	178	62.7	-155.8	-6.4	112.1	S103 D793 I797	S103-R107 PolarHBondContact O-N 3.34Å; R107-D793 IonicContact CZ-OD1 3.97Å; R107-D793 IonicContact CZ-OD2 2.71Å; R107-D793 IonicContact NH1-OD1 2.76Å; R107-D793 PolarHBondContact NH1-OD1 3.11Å; R107-D793 IonicContact NH1-OD2 2.74Å; R107-D793 PolarHBondContact NH1-OD2 2.8Å; R107-D793 IonicContact NH2-OD1 3.23Å; R107-D793 IonicContact NH2-OD2 3.58Å; R107-D793 PolarHBondContact NH2-OD2 3.24Å; R107-I797 HydrophobicContact CB-CD1 4.19Å
108	L	78.2	Confident	68.7	Low	3 Å²	3	84.4 Å²	84.4	2%	0.016	44%	0.442	C	S	.	.	H	α-helix	trans	-77.7	-33.5	172.6	-74	172.1	0	0	0	113.1	V104 E106 W110 C111 Y112 V738 L796 I797	V104-L108 HydrophobicContact CG1-CD1 3.98Å; V104-L108 WeakPolarHBondContact O-CB 3.42Å; V104-L108 WeakPolarHBondContact O-CG 3.11Å; V104-L108 PolarHBondContact O-N 3.29Å; E106-L108 VanDerWaalsContact C-N 3.29Å; E106-L108 PolarHBondContact O-N 3.22Å; L108-W110 PolarHBondContact O-N 3.1Å; L108-C111 PolarHBondContact O-N 3.17Å; L108-Y112 HydrophobicContact CD2-CD2 4.03Å; L108-Y112 HydrophobicContact CD2-CE2 3.88Å; L108-Y112 WeakPolarHBondContact O-CD2 3.48Å; L108-Y112 PolarHBondContact O-N 2.83Å; L108-V738 HydrophobicContact CD1-CB 4.32Å; L108-V738 HydrophobicContact CD1-CG1 3.59Å; L108-V738 HydrophobicContact CD1-CG2 3.68Å; L108-L796 HydrophobicContact CD2-CB 4.24Å; L108-L796 HydrophobicContact CD2-CD2 3.99Å; L108-L796 HydrophobicContact CD2-CG 4.21Å; L108-I797 HydrophobicContact CD2-CD1 4.44Å; L108-I797 HydrophobicContact CD2-CG1 3.62Å; L108-I797 HydrophobicContact CG-CD1 4.26Å; L108-I797 HydrophobicContact CG-CG1 3.97Å
109	S	76.7	Confident	72	Confident	50 Å²	50	80.9 Å²	80.9	35%	0.35	42%	0.416	S	S	.	.	H	α-helix	trans	-66.7	-25.8	175.7	72.2	0	0	0	0	112.8	K105 E106 C111 G113	K105-S109 PolarHBondContact O-N 3.23Å; E106-S109 PolarHBondContact O-N 3.45Å; E106-S109 PolarHBondContact O-OG 2.93Å; S109-C111 VanDerWaalsContact C-N 3.33Å; S109-C111 PolarHBondContact O-N 3.25Å; S109-G113 WeakPolarHBondContact CA-O 3.46Å; S109-G113 WeakPolarHBondContact O-CA 3.47Å; S109-G113 PolarHBondContact O-N 3.02Å
110	W	71.8	Confident	75.1	Confident	186 Å²	186	78.2 Å²	78.2	71%	0.705	39%	0.393	S	S	*	.	H	α-helix	trans	-64.4	-33.3	168	-71	7.8	0	0	0	113.7	Y100 E106 L108	Y100-W110 AromaticContact CD1-CH2 3.94Å; Y100-W110 HydrophobicContact CD1-CH2 3.94Å; Y100-W110 AromaticContact CE1-CH2 3.52Å; Y100-W110 HydrophobicContact CE1-CH2 3.52Å; Y100-W110 AromaticContact CE1-CZ2 3.98Å; Y100-W110 HydrophobicContact CE1-CZ2 3.98Å; E106-W110 PolarHBondContact O-N 3.16Å; L108-W110 PolarHBondContact O-N 3.1Å
111	C	74.8	Confident	77.9	Confident	69 Å²	69	69.6 Å²	69.6	47%	0.466	36%	0.363	S	S	.	.	H	α-helix	trans	-88.2	-31.7	-179.3	-66.6	0	0	0	0	113.1	L108 S109	L108-C111 PolarHBondContact O-N 3.17Å; S109-C111 VanDerWaalsContact C-N 3.33Å; S109-C111 PolarHBondContact O-N 3.25Å
112	Y	79.8	Confident	80.7	Confident	38 Å²	38	60.8 Å²	60.8	15%	0.149	32%	0.322	C	S	.	.	H	α-helix	trans	-124.9	-2.3	-168.3	-61.5	-71.7	0	0	0	114.7	L108 P117 T191 L192 L796	L108-Y112 HydrophobicContact CD2-CD2 4.03Å; L108-Y112 HydrophobicContact CD2-CE2 3.88Å; L108-Y112 WeakPolarHBondContact O-CD2 3.48Å; L108-Y112 PolarHBondContact O-N 2.83Å; Y112-P117 HydrophobicContact CD2-CG 3.87Å; Y112-P117 HydrophobicContact CG-CG 4.09Å; Y112-T191 VanDerWaalsContact CE1-O 3.32Å; Y112-T191 WeakPolarHBondContact CE1-O 3.27Å; Y112-L192 HydrophobicContact CD1-CD1 4.22Å; Y112-L192 HydrophobicContact CD1-CG 4.35Å; Y112-L192 HydrophobicContact CG-CD1 4.47Å; Y112-L796 HydrophobicContact CD2-CD2 4.14Å; Y112-L796 HydrophobicContact CE2-CD1 4.43Å; Y112-L796 HydrophobicContact CE2-CD2 3.53Å; Y112-L796 HydrophobicContact CE2-CG 3.72Å; Y112-L796 WeakPolarHBondContact OH-CD1 3.13Å
113	G	80.9	Confident	82.9	Confident	35 Å²	35	63.8 Å²	63.8	36%	0.361	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	-154.3	-177	0	0	0	0	0	113	S109 K115	S109-G113 WeakPolarHBondContact CA-O 3.46Å; S109-G113 WeakPolarHBondContact O-CA 3.47Å; S109-G113 PolarHBondContact O-N 3.02Å; G113-K115 PolarHBondContact O-N 2.86Å
114	D	81	Confident	84.4	Confident	174 Å²	174	63 Å²	63	93%	0.93	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.5	5	-178.9	-54	-39.9	0	0	0	114.4
115	K	87.4	Confident	85.7	Confident	145 Å²	145	63.2 Å²	63.2	63%	0.63	32%	0.315	S	S	*	.	S	Bend	trans	-98.4	122.8	-177.1	-66.3	178.1	-179.8	176.7	0	110.7	G113 P117 L192	G113-K115 PolarHBondContact O-N 2.86Å; K115-P117 VanDerWaalsContact O-CD 3.32Å; K115-P117 WeakPolarHBondContact O-CD 3.14Å; K115-L192 HydrophobicContact CB-CD1 3.56Å; K115-L192 HydrophobicContact CD-CD1 3.94Å; K115-L192 HydrophobicContact CG-CD1 4.44Å
116	T	91.4	Very high	86.9	Confident	31 Å²	31	59.3 Å²	59.3	19%	0.19	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-63.2	122.9	172.4	-54.7	0	0	0	0	110.6	V119 D739	T116-V119 HydrophobicContact CG2-CG2 3.63Å; T116-V119 PolarHBondContact O-N 3.07Å; T116-D739 VanDerWaalsContact CG2-OD2 3.31Å; T116-D739 WeakPolarHBondContact CG2-OD2 3.4Å; T116-D739 PolarHBondContact OG1-OD2 3.37Å
117	P	93.2	Very high	88	Confident	5 Å²	5	57.1 Å²	57.1	3%	0.032	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	142.9	172.4	-30.2	39.4	0	0	0	113.6	Y112 K115 V119 W190 N736 L796	Y112-P117 HydrophobicContact CD2-CG 3.87Å; Y112-P117 HydrophobicContact CG-CG 4.09Å; K115-P117 VanDerWaalsContact O-CD 3.32Å; K115-P117 WeakPolarHBondContact O-CD 3.14Å; P117-V119 PolarHBondContact O-N 3.39Å; P117-W190 HydrophobicContact CB-CE3 3.99Å; P117-W190 HydrophobicContact CB-CZ3 4.42Å; P117-W190 WeakPolarHBondContact CB-O 3.21Å; P117-W190 WeakPolarHBondContact O-CZ3 3.43Å; P117-N736 PolarHBondContact O-ND2 3.18Å; P117-L796 HydrophobicContact CB-CD2 3.42Å; P117-L796 VanDerWaalsContact CB-CD2 3.42Å; P117-L796 HydrophobicContact CG-CD2 3.72Å
118	G	92.1	Very high	89	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.01	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	82	-17.5	-179.9	0	0	0	0	0	114.9	L120 L189	G118-L120 VanDerWaalsContact C-N 3.26Å; G118-L120 PolarHBondContact O-N 2.96Å; G118-L189 WeakPolarHBondContact CA-O 3.17Å; G118-L189 PolarHBondContact N-O 2.91Å
119	V	96.1	Very high	89.9	Confident	29 Å²	29	52.9 Å²	52.9	18%	0.176	28%	0.282	C	S	.	.			trans	-83.5	65.9	-179.1	-171	0	0	0	0	110.5	T116 P117 Y743 V750	T116-V119 HydrophobicContact CG2-CG2 3.63Å; T116-V119 PolarHBondContact O-N 3.07Å; P117-V119 PolarHBondContact O-N 3.39Å; V119-Y743 HydrophobicContact CG1-CD1 3.62Å; V119-Y743 HydrophobicContact CG1-CD2 4.37Å; V119-Y743 HydrophobicContact CG1-CE1 3.66Å; V119-Y743 HydrophobicContact CG1-CE2 4.39Å; V119-Y743 HydrophobicContact CG1-CG 3.98Å; V119-Y743 HydrophobicContact CG2-CD2 3.93Å; V119-Y743 HydrophobicContact CG2-CE1 4.36Å; V119-Y743 HydrophobicContact CG2-CE2 3.68Å; V119-Y743 HydrophobicContact CG2-CG 4.36Å; V119-V750 HydrophobicContact CG1-CB 4.45Å; V119-V750 HydrophobicContact CG1-CG1 3.58Å
120	L	96.5	Very high	90.9	Very high	48 Å²	48	50.9 Å²	50.9	25%	0.251	27%	0.267	S	S	.	.			trans	-134.3	141.2	177.9	-74.7	-175.3	0	0	0	113.2	G118 Q136 L189 L192	G118-L120 VanDerWaalsContact C-N 3.26Å; G118-L120 PolarHBondContact O-N 2.96Å; L120-Q136 PolarHBondContact O-NE2 3.19Å; L120-L189 HydrophobicContact CB-CD2 3.92Å; L120-L192 HydrophobicContact CD1-CB 4.2Å; L120-L192 HydrophobicContact CD1-CD2 3.73Å; L120-L192 HydrophobicContact CD2-CD2 4.42Å; L120-L192 HydrophobicContact CG-CD2 3.79Å
121	G	97.3	Very high	92.1	Very high	12 Å²	12	42.2 Å²	42.2	12%	0.124	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-86.7	151	179.9	0	0	0	0	0	113.9	Y194 D747 V750	G121-Y194 WeakPolarHBondContact O-CD1 3.31Å; G121-Y194 WeakPolarHBondContact O-CE1 3.26Å; G121-D747 CarbonylContact C-O 3.56Å; G121-D747 WeakPolarHBondContact CA-O 3.36Å; G121-V750 VanDerWaalsContact N-CG2 3.26Å
122	L	98.3	Very high	93.3	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-98	147	177.4	-70.6	172.2	0	0	0	111.6	N132 V135 Q136 L185 L189 Y194 D747 S748	L122-N132 HydrophobicContact CB-CB 4.01Å; L122-N132 HydrophobicContact CD1-CB 4.15Å; L122-V135 HydrophobicContact CD1-CB 3.88Å; L122-V135 HydrophobicContact CD1-CG1 3.73Å; L122-Q136 HydrophobicContact CD1-CG 4.24Å; L122-L185 HydrophobicContact CD2-CD1 3.87Å; L122-L185 HydrophobicContact CD2-CD2 4.37Å; L122-L185 HydrophobicContact CD2-CG 4.36Å; L122-L189 HydrophobicContact CD2-CD1 4.24Å; L122-L189 HydrophobicContact CD2-CD2 3.95Å; L122-L189 HydrophobicContact CD2-CG 4.44Å; L122-L189 HydrophobicContact CG-CD2 4.36Å; L122-Y194 HydrophobicContact CD2-CD2 4.12Å; L122-Y194 HydrophobicContact CD2-CE2 3.6Å; L122-D747 PolarHBondContact N-O 3.47Å; L122-D747 CarbonylContact O-C 3.54Å; L122-D747 WeakPolarHBondContact O-CA 3.24Å; L122-S748 WeakPolarHBondContact O-CA 3.37Å; L122-S748 PolarHBondContact O-N 3.32Å; L122-S748 PolarHBondContact O-OG 2.76Å
123	K	98	Very high	94.2	Very high	96 Å²	96	37.5 Å²	37.5	42%	0.417	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-77.7	133	-179.7	-174.2	179.9	171.7	-167.5	0	110.6	H125 N132 Y194 P196 S748	K123-H125 PolarHBondContact O-CD2 3.46Å; K123-H125 PolarHBondContact O-N 3.47Å; K123-N132 PolarHBondContact O-ND2 3.02Å; K123-Y194 PolarHBondContact N-OH 2.89Å; K123-P196 HydrophobicContact CB-CB 4.21Å; K123-P196 HydrophobicContact CD-CB 3.73Å; K123-P196 HydrophobicContact CD-CG 4.38Å; K123-S748 WeakPolarHBondContact CA-OG 3.43Å
124	N	97.1	Very high	95	Very high	50 Å²	50	35.8 Å²	35.8	27%	0.267	19%	0.191	S	C	.	.	P	Polyproline II helix	trans	-71.5	119.7	165.1	-160.7	-49.3	0	0	0	109.9	G126 N127 T128 D747	N124-G126 WeakPolarHBondContact OD1-CA 3.39Å; N124-G126 PolarHBondContact OD1-N 2.73Å; N124-N127 PolarHBondContact OD1-N 2.86Å; N124-T128 PolarHBondContact OD1-N 3.35Å; N124-D747 HydrophobicContact CB-CB 4.23Å; N124-D747 WeakPolarHBondContact CB-OD2 3.39Å; N124-D747 PolarHBondContact ND2-OD2 3Å
125	H	95.7	Very high	95.9	Very high	44 Å²	44	27.5 Å²	27.5	20%	0.204	15%	0.146	C	C	.	.	S	Bend	trans	-102.2	33.6	178.5	-68.9	-82	0	0	0	111.7	K123 T128 P196 S199 G200 K203	K123-H125 PolarHBondContact O-CD2 3.46Å; K123-H125 PolarHBondContact O-N 3.47Å; H125-T128 HydrophobicContact CB-CG2 3.96Å; H125-T128 PolarHBondContact N-OG1 3.12Å; H125-P196 PolarHBondContact CE1-O 2.97Å; H125-P196 PolarHBondContact NE2-O 2.84Å; H125-S199 PolarHBondContact NE2-OG 3.18Å; H125-G200 PolarHBondContact NE2-N 3.35Å; H125-K203 HydrophobicContact CB-CD 3.86Å; H125-K203 PolarHBondContact O-NZ 3.04Å
126	G	92.4	Very high	96.4	Very high	28 Å²	28	20.7 Å²	20.7	29%	0.289	12%	0.117	S	C	.	.	S	Bend	trans	88.8	97.6	-177.1	0	0	0	0	0	111.5	N124 T128	N124-G126 WeakPolarHBondContact OD1-CA 3.39Å; N124-G126 PolarHBondContact OD1-N 2.73Å; G126-T128 PolarHBondContact O-N 3.36Å
127	N	93.9	Very high	96.7	Very high	63 Å²	63	19.2 Å²	19.2	34%	0.337	11%	0.108	S	C	.	.	S	Bend	trans	58.1	22	-177.6	-75.6	-40.4	0	0	0	115.2	N124 C129 F130 N216 S217 Q218	N124-N127 PolarHBondContact OD1-N 2.86Å; N127-C129 VanDerWaalsContact C-N 3.3Å; N127-C129 PolarHBondContact O-N 3Å; N127-F130 VanDerWaalsContact O-CD1 3.22Å; N127-F130 WeakPolarHBondContact O-CD1 3.35Å; N127-F130 VanDerWaalsContact O-CE1 3.31Å; N127-F130 WeakPolarHBondContact O-CE1 3.15Å; N127-N216 WeakPolarHBondContact CB-O 3.2Å; N127-N216 PolarHBondContact ND2-O 3.08Å; N127-S217 WeakPolarHBondContact CB-O 3.45Å; N127-Q218 HydrophobicContact CB-CG 3.74Å; N127-Q218 VanDerWaalsContact CG-CG 3.46Å; N127-Q218 WeakPolarHBondContact OD1-CG 3.44Å; N127-Q218 PolarHBondContact OD1-NE2 2.96Å
128	T	96.8	Very high	97	Very high	3 Å²	3	19.1 Å²	19.1	2%	0.018	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	13.7	-178	65.6	0	0	0	0	114.6	N124 H125 G126 F130 M131 N132 K203	N124-T128 PolarHBondContact OD1-N 3.35Å; H125-T128 HydrophobicContact CB-CG2 3.96Å; H125-T128 PolarHBondContact N-OG1 3.12Å; G126-T128 PolarHBondContact O-N 3.36Å; T128-F130 VanDerWaalsContact C-N 3.25Å; T128-F130 PolarHBondContact O-N 3.47Å; T128-M131 WeakPolarHBondContact O-CB 3.08Å; T128-M131 PolarHBondContact O-N 2.8Å; T128-N132 PolarHBondContact O-N 3.41Å; T128-K203 HydrophobicContact CG2-CD 3.77Å; T128-K203 VanDerWaalsContact CG2-CE 3.49Å; T128-K203 HydrophobicContact CG2-CG 4.33Å
129	C	97.3	Very high	97.3	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.014	11%	0.106	C	C	.	.	H	α-helix	trans	-61.1	-32.7	-178.6	51.4	0	0	0	0	112.8	N127 M131 N132 A133 H729 D747	N127-C129 VanDerWaalsContact C-N 3.3Å; N127-C129 PolarHBondContact O-N 3Å; C129-M131 VanDerWaalsContact C-N 3.34Å; C129-M131 PolarHBondContact O-N 3.45Å; C129-N132 PolarHBondContact O-N 2.91Å; C129-A133 WeakPolarHBondContact O-CB 3.35Å; C129-A133 PolarHBondContact O-N 3.06Å; C129-H729 VanDerWaalsContact CB-CE1 3.44Å; C129-H729 WeakPolarHBondContact CB-CE1 3.48Å; C129-H729 WeakPolarHBondContact CB-ND1 3.34Å; C129-H729 PolarHBondContact SG-ND1 3.15Å; C129-D747 WeakPolarHBondContact CA-OD1 3.49Å
130	F	97.2	Very high	97.4	Very high	9 Å²	9	17.8 Å²	17.8	4%	0.039	10%	0.098	C	C	.	.	H	α-helix	trans	-58.8	-43.8	172.3	73.1	-85.4	0	0	0	112	N127 T128 V134 F213 H219 A221 F224 Y730	N127-F130 VanDerWaalsContact O-CD1 3.22Å; N127-F130 WeakPolarHBondContact O-CD1 3.35Å; N127-F130 VanDerWaalsContact O-CE1 3.31Å; N127-F130 WeakPolarHBondContact O-CE1 3.15Å; T128-F130 VanDerWaalsContact C-N 3.25Å; T128-F130 PolarHBondContact O-N 3.47Å; F130-V134 VanDerWaalsContact O-CG2 3.3Å; F130-V134 WeakPolarHBondContact O-CG2 3.43Å; F130-V134 PolarHBondContact O-N 3.36Å; F130-F213 HydrophobicContact CE2-CD1 4.13Å; F130-F213 HydrophobicContact CE2-CE1 4.44Å; F130-F213 HydrophobicContact CZ-CD1 4.32Å; F130-H219 HydrophobicContact CD1-CB 4.05Å; F130-H219 HydrophobicContact CD2-CB 3.91Å; F130-H219 HydrophobicContact CE1-CB 3.93Å; F130-H219 AromaticContact CE1-CD2 3.69Å; F130-H219 HydrophobicContact CE2-CB 3.8Å; F130-H219 HydrophobicContact CG-CB 4.06Å; F130-H219 HydrophobicContact CZ-CB 3.81Å; F130-H219 AromaticContact CZ-CD2 3.66Å; F130-H219 AromaticContact CZ-CG 3.99Å; F130-A221 HydrophobicContact CB-CB 4.3Å; F130-F224 HydrophobicContact CD2-CB 3.74Å; F130-F224 HydrophobicContact CD2-CD1 4.37Å; F130-F224 HydrophobicContact CD2-CG 4.01Å; F130-F224 HydrophobicContact CE2-CB 3.82Å; F130-F224 HydrophobicContact CE2-CD1 4.47Å; F130-F224 HydrophobicContact CE2-CD2 4.1Å; F130-F224 AromaticContact CE2-CG 3.84Å; F130-F224 HydrophobicContact CE2-CG 3.84Å; F130-Y730 HydrophobicContact CB-CD2 3.57Å; F130-Y730 HydrophobicContact CB-CE2 3.74Å; F130-Y730 HydrophobicContact CB-CG 4.17Å
131	M	98	Very high	97.4	Very high	4 Å²	4	15.5 Å²	15.5	2%	0.02	9%	0.086	C	C	.	.	H	α-helix	trans	-68.6	-44.7	177.6	-178.5	-175.5	83.4	0	0	110.5	T128 C129 V134 V135 F202 K203 F224	T128-M131 WeakPolarHBondContact O-CB 3.08Å; T128-M131 PolarHBondContact O-N 2.8Å; C129-M131 VanDerWaalsContact C-N 3.34Å; C129-M131 PolarHBondContact O-N 3.45Å; M131-V134 PolarHBondContact O-N 3.37Å; M131-V135 VanDerWaalsContact O-CG2 3.31Å; M131-V135 WeakPolarHBondContact O-CG2 3.47Å; M131-V135 PolarHBondContact O-N 2.84Å; M131-F202 HydrophobicContact CE-CD1 4.14Å; M131-F202 HydrophobicContact CG-CD1 4.37Å; M131-F202 HydrophobicContact CG-CE1 4Å; M131-F202 HydrophobicContact SD-CD1 3.84Å; M131-F202 HydrophobicContact SD-CE1 3.95Å; M131-K203 HydrophobicContact CE-CB 4.19Å; M131-K203 HydrophobicContact SD-CB 4.43Å; M131-F224 HydrophobicContact CB-CD1 4.33Å; M131-F224 HydrophobicContact CB-CE1 4.08Å; M131-F224 HydrophobicContact CB-CZ 4.35Å; M131-F224 HydrophobicContact CG-CD1 4.39Å; M131-F224 HydrophobicContact CG-CE1 3.67Å; M131-F224 HydrophobicContact CG-CE2 4.25Å; M131-F224 HydrophobicContact CG-CZ 3.6Å; M131-F224 HydrophobicContact SD-CZ 4.49Å
132	N	98.4	Very high	97.3	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.021	8%	0.082	C	C	.	.	H	α-helix	trans	-63.4	-47.6	-179.2	-69	-13.5	0	0	0	111.2	L122 K123 T128 C129 V134 V135 Q136 D747	L122-N132 HydrophobicContact CB-CB 4.01Å; L122-N132 HydrophobicContact CD1-CB 4.15Å; K123-N132 PolarHBondContact O-ND2 3.02Å; T128-N132 PolarHBondContact O-N 3.41Å; C129-N132 PolarHBondContact O-N 2.91Å; N132-V134 PolarHBondContact O-N 3.19Å; N132-V135 PolarHBondContact O-N 2.95Å; N132-Q136 WeakPolarHBondContact O-CG 3.32Å; N132-Q136 PolarHBondContact O-N 3.48Å; N132-D747 PolarHBondContact ND2-OD1 3.33Å
133	A	98.6	Very high	97.2	Very high	3 Å²	3	16.6 Å²	16.6	3%	0.025	9%	0.089	C	C	.	.	H	α-helix	trans	-61.3	-41.3	177.7	0	0	0	0	0	112.7	C129 Q136 C137 A732	C129-A133 WeakPolarHBondContact O-CB 3.35Å; C129-A133 PolarHBondContact O-N 3.06Å; A133-Q136 PolarHBondContact O-N 2.92Å; A133-C137 PolarHBondContact O-N 3.39Å; A133-C137 VanDerWaalsContact O-N 3.09Å; A133-C137 PolarHBondContact O-SG 3.06Å; A133-A732 HydrophobicContact CB-CB 4.11Å
134	V	98.8	Very high	97.1	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-64.3	-45.2	175.1	166.3	0	0	0	0	111.9	F130 M131 N132 Q136 C137 L138 A221 F224 L225 L228	F130-V134 VanDerWaalsContact O-CG2 3.3Å; F130-V134 WeakPolarHBondContact O-CG2 3.43Å; F130-V134 PolarHBondContact O-N 3.36Å; M131-V134 PolarHBondContact O-N 3.37Å; N132-V134 PolarHBondContact O-N 3.19Å; V134-Q136 VanDerWaalsContact C-N 3.3Å; V134-Q136 PolarHBondContact O-N 2.9Å; V134-C137 PolarHBondContact O-N 3.34Å; V134-L138 HydrophobicContact CG1-CD1 3.93Å; V134-L138 HydrophobicContact CG1-CG 4.46Å; V134-L138 WeakPolarHBondContact O-CG 3.22Å; V134-L138 PolarHBondContact O-N 2.96Å; V134-A221 HydrophobicContact CG2-CB 3.96Å; V134-A221 WeakPolarHBondContact CG2-O 3.3Å; V134-F224 HydrophobicContact CB-CD1 3.81Å; V134-F224 HydrophobicContact CB-CE1 4.05Å; V134-F224 HydrophobicContact CG1-CD1 3.7Å; V134-F224 HydrophobicContact CG1-CE1 3.77Å; V134-F224 HydrophobicContact CG2-CD1 4.11Å; V134-L225 HydrophobicContact CG1-CB 4.01Å; V134-L225 HydrophobicContact CG1-CD1 3.94Å; V134-L225 HydrophobicContact CG2-CB 4.1Å; V134-L228 HydrophobicContact CG1-CD2 4.48Å
135	V	98.7	Very high	97.1	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-62.2	-37.9	177.1	171.9	0	0	0	0	111	L122 M131 N132 L138 S139 L182 L185 L189 F202	L122-V135 HydrophobicContact CD1-CB 3.88Å; L122-V135 HydrophobicContact CD1-CG1 3.73Å; M131-V135 VanDerWaalsContact O-CG2 3.31Å; M131-V135 WeakPolarHBondContact O-CG2 3.47Å; M131-V135 PolarHBondContact O-N 2.84Å; N132-V135 PolarHBondContact O-N 2.95Å; V135-L138 PolarHBondContact O-N 3.19Å; V135-S139 WeakPolarHBondContact O-CB 3.46Å; V135-S139 PolarHBondContact O-N 3.03Å; V135-L182 HydrophobicContact CG2-CD1 4.34Å; V135-L185 HydrophobicContact CG1-CD2 3.99Å; V135-L185 HydrophobicContact CG1-CG 4.47Å; V135-L189 HydrophobicContact CG1-CD1 4.43Å; V135-F202 HydrophobicContact CG2-CD1 4.46Å; V135-F202 HydrophobicContact CG2-CE1 3.73Å; V135-F202 HydrophobicContact CG2-CZ 4.33Å
136	Q	98.6	Very high	97	Very high	2 Å²	2	9.4 Å²	9.4	1%	0.009	6%	0.056	C	C	.	.	H	α-helix	trans	-66.2	-40.7	175.8	-64.6	-67.2	21	0	0	112.8	L120 L122 N132 A133 V134 S139 N140 A732 Y745	L120-Q136 PolarHBondContact O-NE2 3.19Å; L122-Q136 HydrophobicContact CD1-CG 4.24Å; N132-Q136 WeakPolarHBondContact O-CG 3.32Å; N132-Q136 PolarHBondContact O-N 3.48Å; A133-Q136 PolarHBondContact O-N 2.92Å; V134-Q136 VanDerWaalsContact C-N 3.3Å; V134-Q136 PolarHBondContact O-N 2.9Å; Q136-S139 PolarHBondContact O-N 2.74Å; Q136-N140 PolarHBondContact O-N 3.34Å; Q136-N140 VanDerWaalsContact O-N 3.08Å; Q136-N140 PolarHBondContact O-ND2 2.87Å; Q136-A732 HydrophobicContact CB-CB 3.86Å; Q136-Y745 HydrophobicContact CB-CG 4.34Å; Q136-Y745 HydrophobicContact CG-CD1 4.12Å; Q136-Y745 HydrophobicContact CG-CG 3.96Å
137	C	98.8	Very high	97.2	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.044	C	C	.	.	H	α-helix	trans	-63.8	-42.8	175.9	-61.9	0	0	0	0	111.5	A133 V134 N140 T141 A717 F767	A133-C137 PolarHBondContact O-N 3.39Å; A133-C137 VanDerWaalsContact O-N 3.09Å; A133-C137 PolarHBondContact O-SG 3.06Å; V134-C137 PolarHBondContact O-N 3.34Å; C137-N140 PolarHBondContact O-N 2.87Å; C137-T141 PolarHBondContact O-N 3.45Å; C137-T141 PolarHBondContact O-OG1 3.22Å; C137-A717 HydrophobicContact CB-CB 3.94Å; C137-F767 HydrophobicContact CB-CD1 4.39Å; C137-F767 HydrophobicContact CB-CD2 3.82Å; C137-F767 HydrophobicContact CB-CE1 4.08Å; C137-F767 HydrophobicContact CB-CE2 3.48Å; C137-F767 VanDerWaalsContact CB-CE2 3.48Å; C137-F767 HydrophobicContact CB-CG 4.27Å; C137-F767 HydrophobicContact CB-CZ 3.61Å
138	L	98.4	Very high	97.2	Very high	3 Å²	3	5.6 Å²	5.6	2%	0.016	3%	0.028	C	C	.	.	H	α-helix	trans	-70	-36.3	176.4	-67.5	175.7	0	0	0	112.5	V134 V135 N140 T141 L144 L225 L228 L229 F281	V134-L138 HydrophobicContact CG1-CD1 3.93Å; V134-L138 HydrophobicContact CG1-CG 4.46Å; V134-L138 WeakPolarHBondContact O-CG 3.22Å; V134-L138 PolarHBondContact O-N 2.96Å; V135-L138 PolarHBondContact O-N 3.19Å; L138-N140 VanDerWaalsContact C-N 3.29Å; L138-N140 PolarHBondContact O-N 3.33Å; L138-T141 VanDerWaalsContact O-CB 3.28Å; L138-T141 WeakPolarHBondContact O-CB 3.44Å; L138-T141 PolarHBondContact O-N 3.24Å; L138-T141 VanDerWaalsContact O-N 3.09Å; L138-T141 PolarHBondContact O-OG1 3.17Å; L138-L144 HydrophobicContact CB-CD2 4.01Å; L138-L144 HydrophobicContact CD2-CD2 3.9Å; L138-L144 HydrophobicContact CG-CD2 4.46Å; L138-L225 HydrophobicContact CD1-CD1 4.11Å; L138-L225 HydrophobicContact CD2-CD1 4.01Å; L138-L225 HydrophobicContact CG-CD1 4.21Å; L138-L228 HydrophobicContact CD1-CD2 3.68Å; L138-L228 HydrophobicContact CD1-CG 4.43Å; L138-L229 HydrophobicContact CD2-CD2 4.23Å; L138-F281 HydrophobicContact CD2-CE1 4.5Å; L138-F281 HydrophobicContact CD2-CZ 4.36Å
139	S	98.1	Very high	97.1	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-65.2	-31.5	176.4	-168.6	0	0	0	0	112.4	V135 Q136 T141 A145 W190	V135-S139 WeakPolarHBondContact O-CB 3.46Å; V135-S139 PolarHBondContact O-N 3.03Å; Q136-S139 PolarHBondContact O-N 2.74Å; S139-T141 VanDerWaalsContact C-N 3.34Å; S139-A145 WeakPolarHBondContact O-CB 3.46Å; S139-W190 PolarHBondContact O-NE1 3.04Å; S139-W190 PolarHBondContact OG-NE1 3.45Å
140	N	97.9	Very high	96.9	Very high	2 Å²	2	7.7 Å²	7.7	1%	0.011	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	11.5	174.3	-68.8	-95.7	0	0	0	112.9	Q136 C137 L138 D142 Y716 C734	Q136-N140 PolarHBondContact O-N 3.34Å; Q136-N140 VanDerWaalsContact O-N 3.08Å; Q136-N140 PolarHBondContact O-ND2 2.87Å; C137-N140 PolarHBondContact O-N 2.87Å; L138-N140 VanDerWaalsContact C-N 3.29Å; L138-N140 PolarHBondContact O-N 3.33Å; N140-D142 PolarHBondContact O-N 2.86Å; N140-Y716 WeakPolarHBondContact O-CD2 3.39Å; N140-Y716 WeakPolarHBondContact O-CE2 3.36Å; N140-C734 HydrophobicContact CB-CB 3.76Å
141	T	97.9	Very high	96.6	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.042	C	C	.	.			trans	-86.1	95.1	171.9	-57.1	0	0	0	0	108.9	C137 L138 S139 L143 L144 A145 F281 I638 Y716	C137-T141 PolarHBondContact O-N 3.45Å; C137-T141 PolarHBondContact O-OG1 3.22Å; L138-T141 VanDerWaalsContact O-CB 3.28Å; L138-T141 WeakPolarHBondContact O-CB 3.44Å; L138-T141 PolarHBondContact O-N 3.24Å; L138-T141 VanDerWaalsContact O-N 3.09Å; L138-T141 PolarHBondContact O-OG1 3.17Å; S139-T141 VanDerWaalsContact C-N 3.34Å; T141-L143 VanDerWaalsContact C-N 3.33Å; T141-L143 PolarHBondContact O-N 3.1Å; T141-L143 VanDerWaalsContact O-N 3.08Å; T141-L144 HydrophobicContact CG2-CB 3.95Å; T141-L144 WeakPolarHBondContact O-CA 3.39Å; T141-L144 WeakPolarHBondContact O-CB 3.37Å; T141-L144 PolarHBondContact O-N 2.95Å; T141-A145 PolarHBondContact O-N 3.06Å; T141-F281 HydrophobicContact CG2-CZ 4.15Å; T141-I638 HydrophobicContact CG2-CD1 3.84Å; T141-I638 HydrophobicContact CG2-CG1 3.96Å; T141-I638 HydrophobicContact CG2-CG2 4.33Å; T141-Y716 WeakPolarHBondContact CB-OH 3.46Å; T141-Y716 HydrophobicContact CG2-CE2 4.38Å; T141-Y716 VanDerWaalsContact CG2-OH 3.29Å; T141-Y716 WeakPolarHBondContact CG2-OH 3.4Å; T141-Y716 VanDerWaalsContact OG1-CE2 3.24Å; T141-Y716 WeakPolarHBondContact OG1-CE2 3.08Å; T141-Y716 PolarHBondContact OG1-OH 2.74Å
142	D	95.1	Very high	96.2	Very high	5 Å²	5	11.6 Å²	11.6	3%	0.027	6%	0.06	C	C	.	.	H	α-helix	trans	-44.3	-48.2	-166.8	-83.5	-20.7	0	0	0	115.7	N140 L144 A145 E146 S737 P775 W777 S778	N140-D142 PolarHBondContact O-N 2.86Å; D142-L144 PolarHBondContact O-N 3.28Å; D142-A145 PolarHBondContact O-N 2.79Å; D142-E146 PolarHBondContact O-N 2.79Å; D142-S737 WeakPolarHBondContact OD1-CB 3.46Å; D142-S737 PolarHBondContact OD1-OG 3.17Å; D142-P775 HydrophobicContact CB-CG 4.13Å; D142-W777 HydrophobicContact CB-CH2 3.61Å; D142-W777 HydrophobicContact CB-CZ2 4.3Å; D142-W777 HydrophobicContact CB-CZ3 4.31Å; D142-S778 WeakPolarHBondContact OD2-CB 3.37Å; D142-S778 PolarHBondContact OD2-OG 3.02Å
143	L	95.5	Very high	95.8	Very high	30 Å²	30	11.9 Å²	11.9	16%	0.157	6%	0.061	C	C	.	.	H	α-helix	trans	-65.7	-39.5	-179.1	-59	171.1	0	0	0	112	T141 Y147 F276 I638 V773 P775	T141-L143 VanDerWaalsContact C-N 3.33Å; T141-L143 PolarHBondContact O-N 3.1Å; T141-L143 VanDerWaalsContact O-N 3.08Å; L143-Y147 WeakPolarHBondContact O-CB 3.34Å; L143-Y147 PolarHBondContact O-N 2.55Å; L143-F276 VanDerWaalsContact C-CZ 3.45Å; L143-F276 HydrophobicContact CB-CE2 4.27Å; L143-F276 HydrophobicContact CB-CZ 3.74Å; L143-F276 WeakPolarHBondContact O-CZ 2.97Å; L143-I638 HydrophobicContact CD1-CD1 4.33Å; L143-V773 HydrophobicContact CD1-CG1 3.81Å; L143-P775 HydrophobicContact CD2-CG 3.74Å
144	L	96.4	Very high	95.3	Very high	5 Å²	5	16.5 Å²	16.5	3%	0.026	8%	0.081	C	C	.	.	H	α-helix	trans	-74.5	-37.5	178.4	-177.9	64.3	0	0	0	110.9	L138 T141 D142 Y147 L148 F276 F281	L138-L144 HydrophobicContact CB-CD2 4.01Å; L138-L144 HydrophobicContact CD2-CD2 3.9Å; L138-L144 HydrophobicContact CG-CD2 4.46Å; T141-L144 HydrophobicContact CG2-CB 3.95Å; T141-L144 WeakPolarHBondContact O-CA 3.39Å; T141-L144 WeakPolarHBondContact O-CB 3.37Å; T141-L144 PolarHBondContact O-N 2.95Å; D142-L144 PolarHBondContact O-N 3.28Å; L144-Y147 HydrophobicContact CD1-CD1 4.3Å; L144-Y147 PolarHBondContact O-N 2.97Å; L144-L148 HydrophobicContact CD1-CD1 3.86Å; L144-L148 HydrophobicContact CD1-CD2 4.39Å; L144-L148 HydrophobicContact CD1-CG 3.88Å; L144-L148 HydrophobicContact CD2-CD1 4.47Å; L144-L148 HydrophobicContact CG-CD1 3.83Å; L144-L148 HydrophobicContact CG-CG 4.21Å; L144-L148 WeakPolarHBondContact O-CB 3.23Å; L144-L148 VanDerWaalsContact O-CG 3.28Å; L144-L148 WeakPolarHBondContact O-CG 3.43Å; L144-L148 PolarHBondContact O-N 2.82Å; L144-F276 HydrophobicContact CB-CE1 3.84Å; L144-F276 HydrophobicContact CB-CZ 4.17Å; L144-F276 HydrophobicContact CD1-CD1 3.87Å; L144-F276 HydrophobicContact CD1-CE1 3.64Å; L144-F276 HydrophobicContact CG-CE1 4.33Å; L144-F281 HydrophobicContact CD2-CZ 4.29Å
145	A	95.8	Very high	94.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-61.9	-42.9	174.9	0	0	0	0	0	111.3	S139 T141 D142 G149 W795	S139-A145 WeakPolarHBondContact O-CB 3.46Å; T141-A145 PolarHBondContact O-N 3.06Å; D142-A145 PolarHBondContact O-N 2.79Å; A145-G149 WeakPolarHBondContact O-CA 3.44Å; A145-G149 PolarHBondContact O-N 2.83Å; A145-W795 HydrophobicContact CB-CZ2 4.23Å
146	E	94.8	Very high	93.5	Very high	34 Å²	34	22 Å²	22	16%	0.159	12%	0.116	C	C	.	.	H	α-helix	trans	-65.5	-48.8	172.5	179.6	167.1	165.1	0	0	112	D142 L148 G149 L150 W777 W795 R798	D142-E146 PolarHBondContact O-N 2.79Å; E146-L148 PolarHBondContact O-N 3.32Å; E146-G149 PolarHBondContact O-N 2.88Å; E146-L150 HydrophobicContact CG-CD1 3.64Å; E146-L150 HydrophobicContact CG-CG 4.15Å; E146-L150 WeakPolarHBondContact O-CB 3.39Å; E146-L150 PolarHBondContact O-N 3.14Å; E146-W777 HydrophobicContact CB-CZ2 4.2Å; E146-W777 WeakPolarHBondContact OE2-CZ2 3.17Å; E146-W777 PolarHBondContact OE2-NE1 2.91Å; E146-W795 HydrophobicContact CB-CB 4.03Å; E146-W795 HydrophobicContact CB-CG 4.03Å; E146-W795 HydrophobicContact CG-CB 3.76Å; E146-W795 HydrophobicContact CG-CG 4.29Å; E146-R798 VanDerWaalsContact CD-NH2 3.25Å; E146-R798 IonicContact OE1-CZ 2.7Å; E146-R798 IonicContact OE1-NH1 3.47Å; E146-R798 PolarHBondContact OE1-NH1 3.44Å; E146-R798 IonicContact OE1-NH2 3.66Å; E146-R798 PolarHBondContact OE1-NH2 2.8Å; E146-R798 IonicContact OE2-CZ 3.87Å; E146-R798 IonicContact OE2-NH1 3.53Å; E146-R798 IonicContact OE2-NH2 3.32Å; E146-R798 PolarHBondContact OE2-NH2 2.63Å
147	Y	95.2	Very high	92.6	Very high	10 Å²	10	23.4 Å²	23.4	4%	0.039	12%	0.123	C	C	.	.	H	α-helix	trans	-58.7	-48	-178.5	174.7	-107.6	0	0	0	112.9	L143 L144 G151 Q152 Y153 D156 F276	L143-Y147 WeakPolarHBondContact O-CB 3.34Å; L143-Y147 PolarHBondContact O-N 2.55Å; L144-Y147 HydrophobicContact CD1-CD1 4.3Å; L144-Y147 PolarHBondContact O-N 2.97Å; Y147-G151 PolarHBondContact O-N 3.15Å; Y147-Q152 HydrophobicContact CD2-CB 3.67Å; Y147-Q152 HydrophobicContact CE2-CB 4.06Å; Y147-Q152 HydrophobicContact CG-CB 4.49Å; Y147-Q152 PolarHBondContact O-N 3.47Å; Y147-Y153 VanDerWaalsContact CZ-CB 3.48Å; Y147-Y153 WeakPolarHBondContact OH-CA 3.4Å; Y147-D156 WeakPolarHBondContact CE2-OD2 3.19Å; Y147-D156 PolarHBondContact OH-OD2 2.58Å; Y147-F276 HydrophobicContact CD1-CB 4.09Å; Y147-F276 HydrophobicContact CD1-CD1 4.19Å; Y147-F276 HydrophobicContact CD1-CD2 4.02Å; Y147-F276 AromaticContact CD1-CG 3.82Å; Y147-F276 HydrophobicContact CD1-CG 3.82Å; Y147-F276 HydrophobicContact CD2-CB 4.41Å; Y147-F276 AromaticContact CD2-CD2 3.78Å; Y147-F276 HydrophobicContact CD2-CD2 3.78Å; Y147-F276 HydrophobicContact CD2-CE2 4.44Å; Y147-F276 HydrophobicContact CD2-CG 4.26Å; Y147-F276 HydrophobicContact CE1-CB 3.66Å; Y147-F276 HydrophobicContact CE1-CD1 4.45Å; Y147-F276 HydrophobicContact CE1-CD2 4.4Å; Y147-F276 AromaticContact CE1-CG 3.92Å; Y147-F276 HydrophobicContact CE1-CG 3.92Å; Y147-F276 HydrophobicContact CE2-CB 4.04Å; Y147-F276 HydrophobicContact CE2-CD2 4.21Å; Y147-F276 HydrophobicContact CE2-CG 4.38Å; Y147-F276 HydrophobicContact CG-CB 4.44Å; Y147-F276 AromaticContact CG-CD2 3.68Å; Y147-F276 HydrophobicContact CG-CD2 3.68Å; Y147-F276 HydrophobicContact CG-CE2 4.09Å; Y147-F276 AromaticContact CG-CG 3.98Å; Y147-F276 HydrophobicContact CG-CG 3.98Å
148	L	95.7	Very high	91.1	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-72.8	-44.8	175.8	-62.7	178.4	0	0	0	111.6	L144 E146 G151 Y153 T179 L182 A183 V186	L144-L148 HydrophobicContact CD1-CD1 3.86Å; L144-L148 HydrophobicContact CD1-CD2 4.39Å; L144-L148 HydrophobicContact CD1-CG 3.88Å; L144-L148 HydrophobicContact CD2-CD1 4.47Å; L144-L148 HydrophobicContact CG-CD1 3.83Å; L144-L148 HydrophobicContact CG-CG 4.21Å; L144-L148 WeakPolarHBondContact O-CB 3.23Å; L144-L148 VanDerWaalsContact O-CG 3.28Å; L144-L148 WeakPolarHBondContact O-CG 3.43Å; L144-L148 PolarHBondContact O-N 2.82Å; E146-L148 PolarHBondContact O-N 3.32Å; L148-G151 PolarHBondContact O-N 2.56Å; L148-G151 VanDerWaalsContact O-N 3.12Å; L148-Y153 HydrophobicContact CD2-CD1 4.16Å; L148-T179 HydrophobicContact CD2-CG2 4.23Å; L148-L182 HydrophobicContact CD1-CD2 4.07Å; L148-L182 HydrophobicContact CD1-CG 4.08Å; L148-A183 HydrophobicContact CB-CB 3.98Å; L148-A183 HydrophobicContact CD2-CB 4.05Å; L148-V186 HydrophobicContact CD1-CG2 4.17Å
149	G	93.3	Very high	89.2	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.8	-39.3	-173.3	0	0	0	0	0	113.6	A145 E146 R187	A145-G149 WeakPolarHBondContact O-CA 3.44Å; A145-G149 PolarHBondContact O-N 2.83Å; E146-G149 PolarHBondContact O-N 2.88Å; G149-R187 VanDerWaalsContact O-CZ 3.23Å; G149-R187 PolarHBondContact O-NE 2.82Å; G149-R187 PolarHBondContact O-NH2 2.99Å
150	L	93.2	Very high	87	Confident	49 Å²	49	30.9 Å²	30.9	26%	0.257	18%	0.183	S	C	.	.	H	α-helix	trans	-82.2	-14.2	171.5	-63.2	-177.4	0	0	0	113	E146 Q152 W795 L799	E146-L150 HydrophobicContact CG-CD1 3.64Å; E146-L150 HydrophobicContact CG-CG 4.15Å; E146-L150 WeakPolarHBondContact O-CB 3.39Å; E146-L150 PolarHBondContact O-N 3.14Å; L150-Q152 HydrophobicContact CB-CG 4.24Å; L150-W795 HydrophobicContact CD1-CB 4.36Å; L150-W795 HydrophobicContact CD2-CE3 4.28Å; L150-W795 HydrophobicContact CG-CB 4.43Å; L150-W795 HydrophobicContact CG-CE3 4.42Å; L150-L799 HydrophobicContact CD2-CB 4.1Å; L150-L799 HydrophobicContact CD2-CD1 4.32Å
151	G	91.1	Very high	84.8	Confident	11 Å²	11	37.4 Å²	37.4	11%	0.113	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	18.3	176.4	0	0	0	0	0	115.1	Y147 L148 Y153 K154	Y147-G151 PolarHBondContact O-N 3.15Å; L148-G151 PolarHBondContact O-N 2.56Å; L148-G151 VanDerWaalsContact O-N 3.12Å; G151-Y153 PolarHBondContact O-N 3.16Å; G151-K154 WeakPolarHBondContact O-CB 3.15Å; G151-K154 WeakPolarHBondContact O-CG 3.33Å; G151-K154 PolarHBondContact O-N 3.08Å; G151-K154 VanDerWaalsContact O-N 3.09Å
152	Q	90.7	Very high	82.4	Confident	84 Å²	84	42.8 Å²	42.8	39%	0.393	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-36.6	-176.6	-63.7	172.9	2.1	0	0	111.9	Y147 L150 K154 S155	Y147-Q152 HydrophobicContact CD2-CB 3.67Å; Y147-Q152 HydrophobicContact CE2-CB 4.06Å; Y147-Q152 HydrophobicContact CG-CB 4.49Å; Y147-Q152 PolarHBondContact O-N 3.47Å; L150-Q152 HydrophobicContact CB-CG 4.24Å; Q152-K154 PolarHBondContact O-N 3.41Å; Q152-S155 WeakPolarHBondContact O-CB 3.2Å; Q152-S155 PolarHBondContact O-N 3.01Å
153	Y	88.6	Confident	80	Confident	9 Å²	9	50.1 Å²	50.1	4%	0.035	28%	0.28	C	S	.	.	H	α-helix	trans	-51.1	-25.9	175.9	73.8	-90.6	0	0	0	114.9	Y147 L148 G151 S155 D156 I157 T179 E180 A183	Y147-Y153 VanDerWaalsContact CZ-CB 3.48Å; Y147-Y153 WeakPolarHBondContact OH-CA 3.4Å; L148-Y153 HydrophobicContact CD2-CD1 4.16Å; G151-Y153 PolarHBondContact O-N 3.16Å; Y153-S155 VanDerWaalsContact C-N 3.27Å; Y153-S155 PolarHBondContact O-N 3.4Å; Y153-D156 PolarHBondContact O-N 2.94Å; Y153-I157 HydrophobicContact CD2-CD1 3.64Å; Y153-I157 HydrophobicContact CE2-CD1 4.05Å; Y153-I157 WeakPolarHBondContact O-CG1 3.44Å; Y153-I157 PolarHBondContact O-N 3Å; Y153-I157 VanDerWaalsContact O-N 3.14Å; Y153-T179 HydrophobicContact CD2-CG2 3.94Å; Y153-T179 HydrophobicContact CE2-CG2 4.46Å; Y153-T179 HydrophobicContact CG-CG2 4.28Å; Y153-E180 HydrophobicContact CE2-CG 3.9Å; Y153-A183 HydrophobicContact CD1-CB 4.18Å; Y153-A183 HydrophobicContact CE1-CB 3.31Å; Y153-A183 WeakPolarHBondContact OH-CB 3.14Å
154	K	88.6	Confident	77.8	Confident	101 Å²	101	52 Å²	52	44%	0.439	31%	0.307	S	S	.	.	H	α-helix	trans	-66.3	-30.6	178.3	-64.4	-171.3	174.7	-164	0	112.4	G151 Q152 D156 S158	G151-K154 WeakPolarHBondContact O-CB 3.15Å; G151-K154 WeakPolarHBondContact O-CG 3.33Å; G151-K154 PolarHBondContact O-N 3.08Å; G151-K154 VanDerWaalsContact O-N 3.09Å; Q152-K154 PolarHBondContact O-N 3.41Å; K154-D156 VanDerWaalsContact C-N 3.34Å; K154-S158 WeakPolarHBondContact O-CB 3.41Å; K154-S158 PolarHBondContact O-N 3.35Å; K154-S158 PolarHBondContact O-OG 2.82Å
155	S	82.8	Confident	75.2	Confident	77 Å²	77	60 Å²	60	54%	0.538	34%	0.344	S	S	.	.	H	α-helix	trans	-67.4	-36.2	175.3	-63	0	0	0	0	111.7	Q152 Y153 S159	Q152-S155 WeakPolarHBondContact O-CB 3.2Å; Q152-S155 PolarHBondContact O-N 3.01Å; Y153-S155 VanDerWaalsContact C-N 3.27Å; Y153-S155 PolarHBondContact O-N 3.4Å; S155-S159 WeakPolarHBondContact O-CB 3.04Å; S155-S159 PolarHBondContact O-N 3.42Å; S155-S159 VanDerWaalsContact O-N 3.09Å; S155-S159 PolarHBondContact O-OG 2.84Å
156	D	77.9	Confident	73	Confident	39 Å²	39	66.2 Å²	66.2	21%	0.209	38%	0.382	C	S	.	.	H	α-helix	trans	-71.7	-50.9	178.6	-61.2	-41.8	0	0	0	111.2	Y147 Y153 K154 S158 S159 A236	Y147-D156 WeakPolarHBondContact CE2-OD2 3.19Å; Y147-D156 PolarHBondContact OH-OD2 2.58Å; Y153-D156 PolarHBondContact O-N 2.94Å; K154-D156 VanDerWaalsContact C-N 3.34Å; D156-S158 VanDerWaalsContact C-N 3.27Å; D156-S158 PolarHBondContact O-N 2.92Å; D156-S159 PolarHBondContact O-N 2.83Å; D156-S159 VanDerWaalsContact O-N 3.15Å; D156-A236 HydrophobicContact CB-CB 4.44Å
157	I	79.2	Confident	70.5	Confident	30 Å²	30	75.2 Å²	75.2	15%	0.154	41%	0.414	C	S	.	.	H	α-helix	trans	-52.8	-45.8	173	-64.4	171.8	0	0	0	111	Y153 S159 D235	Y153-I157 HydrophobicContact CD2-CD1 3.64Å; Y153-I157 HydrophobicContact CE2-CD1 4.05Å; Y153-I157 WeakPolarHBondContact O-CG1 3.44Å; Y153-I157 PolarHBondContact O-N 3Å; Y153-I157 VanDerWaalsContact O-N 3.14Å; I157-S159 VanDerWaalsContact C-N 3.34Å; I157-S159 PolarHBondContact O-N 3.23Å; I157-D235 WeakPolarHBondContact CG1-O 3.41Å
158	S	67.4	Low	68.2	Low	71 Å²	71	77.9 Å²	77.9	50%	0.497	44%	0.439	S	S	.	.	H	α-helix	trans	-73.7	-24.1	-175.8	-58.4	0	0	0	0	113.6	K154 D156 G160 R161	K154-S158 WeakPolarHBondContact O-CB 3.41Å; K154-S158 PolarHBondContact O-N 3.35Å; K154-S158 PolarHBondContact O-OG 2.82Å; D156-S158 VanDerWaalsContact C-N 3.27Å; D156-S158 PolarHBondContact O-N 2.92Å; S158-G160 PolarHBondContact O-N 3.31Å; S158-R161 PolarHBondContact O-N 3.43Å
159	S	57.7	Low	65.8	Low	40 Å²	40	83.2 Å²	83.2	28%	0.28	47%	0.467	S	S	.	.	H	α-helix	trans	-69.4	-17.9	-174.6	-70.3	0	0	0	0	114	S155 D156 I157 R161 R273	S155-S159 WeakPolarHBondContact O-CB 3.04Å; S155-S159 PolarHBondContact O-N 3.42Å; S155-S159 VanDerWaalsContact O-N 3.09Å; S155-S159 PolarHBondContact O-OG 2.84Å; D156-S159 PolarHBondContact O-N 2.83Å; D156-S159 VanDerWaalsContact O-N 3.15Å; I157-S159 VanDerWaalsContact C-N 3.34Å; I157-S159 PolarHBondContact O-N 3.23Å; S159-R161 PolarHBondContact O-N 2.56Å; S159-R273 VanDerWaalsContact CB-NH1 3.33Å; S159-R273 PolarHBondContact OG-NH1 3.02Å
160	G	52.8	Low	63.4	Low	49 Å²	49	92.4 Å²	92.4	51%	0.505	51%	0.51	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-8.3	174.9	0	0	0	0	0	115	S158	S158-G160 PolarHBondContact O-N 3.31Å
161	R	51.6	Low	61	Low	139 Å²	139	94 Å²	94	53%	0.525	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	3.1	-166	-65	-177.1	174.6	172.9	-1.3	116	S158 S159 N163 E175	S158-R161 PolarHBondContact O-N 3.43Å; S159-R161 PolarHBondContact O-N 2.56Å; R161-N163 PolarHBondContact O-N 2.93Å; R161-E175 IonicContact CZ-OE2 3.35Å; R161-E175 IonicContact NE-OE2 2.75Å; R161-E175 PolarHBondContact NE-OE2 2.91Å; R161-E175 IonicContact NH2-OE2 3.57Å; R161-E175 PolarHBondContact NH2-OE2 2.76Å
162	T	46.6	Very low	58.9	Low	114 Å²	114	101.2 Å²	101.2	70%	0.699	55%	0.554	S	S	*	*			trans	-81.8	-4.5	-170.7	52.8	0	0	0	0	116
163	N	46	Very low	56.8	Low	159 Å²	159	101.5 Å²	101.5	85%	0.85	57%	0.565	S	S	*	*	S	Bend	trans	-114.8	80.7	-174	-72.3	-3.7	0	0	0	113.6	R161	R161-N163 PolarHBondContact O-N 2.93Å
164	G	48.4	Very low	55.2	Low	70 Å²	70	104.2 Å²	104.2	72%	0.722	59%	0.586	S	S	*	*	S	Bend	trans	110.4	129.2	157.2	0	0	0	0	0	117.4
165	E	42.5	Very low	54.2	Low	172 Å²	172	104.8 Å²	104.8	80%	0.804	59%	0.59	S	S	*	*			trans	30.7	107.9	170	-66.5	-158	136.9	0	0	119.6	R167	E165-R167 PolarHBondContact O-N 3.23Å
166	V	48.9	Very low	54.2	Low	131 Å²	131	101.1 Å²	101.1	79%	0.794	56%	0.564	S	S	*	*			trans	-67.6	102.2	164.7	-179.1	0	0	0	0	110.5
167	R	41.4	Very low	54.9	Low	223 Å²	223	100.9 Å²	100.9	84%	0.842	56%	0.562	S	S	*	*			trans	-92.5	126.1	154.5	-75.7	-170.3	173.5	-166.6	-2.5	109.6	E165	E165-R167 PolarHBondContact O-N 3.23Å
168	A	48.3	Very low	55.6	Low	66 Å²	66	99.4 Å²	99.4	55%	0.545	56%	0.555	S	S	.	*			trans	-82.5	151.6	-166.4	0	0	0	0	0	114.4	E170	A168-E170 PolarHBondContact O-N 3.19Å
169	D	45.5	Very low	56.9	Low	113 Å²	113	96.1 Å²	96.1	60%	0.604	53%	0.531	S	S	*	.	S	Bend	trans	74.4	1.9	142.6	-57.6	-21.3	0	0	0	123.5	R172	D169-R172 IonicContact OD1-CZ 3.58Å; D169-R172 IonicContact OD1-NE 3.79Å; D169-R172 IonicContact OD1-NH1 2.73Å; D169-R172 PolarHBondContact OD1-NH1 3.29Å
170	E	41.8	Very low	58.7	Low	193 Å²	193	98 Å²	98	90%	0.902	54%	0.536	S	S	*	.	S	Bend	trans	-121.5	-7.4	165.7	-70.7	-165.7	148.2	0	0	115.8	A168	A168-E170 PolarHBondContact O-N 3.19Å
171	A	44	Very low	60.8	Low	83 Å²	83	98 Å²	98	69%	0.686	52%	0.523	S	S	*	.	S	Bend	trans	-110.9	18.1	179.4	0	0	0	0	0	114
172	R	45.8	Very low	63	Low	162 Å²	162	91.5 Å²	91.5	61%	0.611	50%	0.498	S	S	*	.	S	Bend	trans	-91.7	-3.3	-168.7	-81.7	179.8	156.3	174.1	-12.5	115.7	D169	D169-R172 IonicContact OD1-CZ 3.58Å; D169-R172 IonicContact OD1-NE 3.79Å; D169-R172 IonicContact OD1-NH1 2.73Å; D169-R172 PolarHBondContact OD1-NH1 3.29Å
173	S	46.4	Very low	65.4	Low	90 Å²	90	86.2 Å²	86.2	63%	0.629	47%	0.466	S	S	*	.	S	Bend	trans	-142.3	61.9	-159.7	62.3	0	0	0	0	114.9
174	S	55.8	Low	67.8	Low	67 Å²	67	81.1 Å²	81.1	47%	0.469	44%	0.443	S	S	.	.	S	Bend	trans	-163.6	-12.7	172.6	58	0	0	0	0	116.6	Y209	S174-Y209 PolarHBondContact O-OH 2.98Å
175	E	66.7	Low	70.2	Confident	113 Å²	113	77.9 Å²	77.9	53%	0.528	41%	0.409	S	S	.	.	S	Bend	trans	-91	138.5	177.3	-61.8	171	156.2	0	0	109.1	R161 E177	R161-E175 IonicContact CZ-OE2 3.35Å; R161-E175 IonicContact NE-OE2 2.75Å; R161-E175 PolarHBondContact NE-OE2 2.91Å; R161-E175 IonicContact NH2-OE2 3.57Å; R161-E175 PolarHBondContact NH2-OE2 2.76Å; E175-E177 VanDerWaalsContact C-N 3.3Å; E175-E177 PolarHBondContact O-N 3.48Å
176	G	84.4	Confident	72.8	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	37%	0.371	C	S	.	.	S	Bend	trans	82.7	-17.2	174.7	0	0	0	0	0	116.9	V178 T179 E180 D235	G176-V178 VanDerWaalsContact C-N 3.3Å; G176-V178 PolarHBondContact O-N 2.98Å; G176-V178 VanDerWaalsContact O-N 3.09Å; G176-T179 WeakPolarHBondContact O-CB 3.21Å; G176-T179 PolarHBondContact O-N 3.13Å; G176-E180 PolarHBondContact O-N 3.17Å; G176-D235 WeakPolarHBondContact CA-OD1 3.33Å; G176-D235 PolarHBondContact N-OD1 3.03Å
177	E	90.9	Very high	75	Confident	33 Å²	33	68 Å²	68	15%	0.154	35%	0.35	C	S	.	.	H	α-helix	trans	-52.6	-39	-167.6	-68.1	-174.1	-170	0	0	115.2	E175 Q181 I205 K208 Y209	E175-E177 VanDerWaalsContact C-N 3.3Å; E175-E177 PolarHBondContact O-N 3.48Å; E177-Q181 WeakPolarHBondContact O-CB 3.37Å; E177-Q181 VanDerWaalsContact O-CG 3.25Å; E177-Q181 WeakPolarHBondContact O-CG 3.37Å; E177-Q181 PolarHBondContact O-N 3.46Å; E177-Q181 VanDerWaalsContact O-N 3.11Å; E177-I205 HydrophobicContact CB-CD1 4.32Å; E177-I205 HydrophobicContact CB-CG1 4.11Å; E177-I205 VanDerWaalsContact OE2-CD1 3.28Å; E177-I205 WeakPolarHBondContact OE2-CD1 3.28Å; E177-K208 IonicContact OE1-NZ 2.66Å; E177-K208 PolarHBondContact OE1-NZ 3.22Å; E177-K208 IonicContact OE2-NZ 3.57Å; E177-K208 PolarHBondContact OE2-NZ 3.24Å; E177-Y209 HydrophobicContact CB-CE2 4.15Å; E177-Y209 VanDerWaalsContact CD-OH 3.26Å; E177-Y209 WeakPolarHBondContact OE2-CE2 3.44Å; E177-Y209 PolarHBondContact OE2-OH 2.72Å
178	V	94.4	Very high	77.7	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-72.2	-40.2	-177.9	-175	0	0	0	0	110	G176 Q181 L182 F202 I205 Y209 W227 L228 R231	G176-V178 VanDerWaalsContact C-N 3.3Å; G176-V178 PolarHBondContact O-N 2.98Å; G176-V178 VanDerWaalsContact O-N 3.09Å; V178-Q181 PolarHBondContact O-N 3.39Å; V178-L182 WeakPolarHBondContact O-CB 3.37Å; V178-L182 PolarHBondContact O-N 3.11Å; V178-F202 HydrophobicContact CG1-CE2 4.35Å; V178-I205 HydrophobicContact CB-CG2 4.35Å; V178-I205 HydrophobicContact CG1-CG2 4.2Å; V178-I205 HydrophobicContact CG2-CG1 4.49Å; V178-I205 HydrophobicContact CG2-CG2 4.19Å; V178-Y209 HydrophobicContact CG2-CD2 3.5Å; V178-Y209 HydrophobicContact CG2-CE2 3.93Å; V178-Y209 HydrophobicContact CG2-CG 3.98Å; V178-W227 HydrophobicContact CG1-CH2 3.95Å; V178-W227 HydrophobicContact CG1-CZ3 4.39Å; V178-W227 HydrophobicContact CG2-CH2 4.5Å; V178-L228 HydrophobicContact CG1-CD1 3.97Å; V178-R231 HydrophobicContact CB-CG 3.79Å; V178-R231 HydrophobicContact CG1-CG 3.95Å; V178-R231 HydrophobicContact CG2-CG 3.84Å
179	T	95.5	Very high	80	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-69	-39.4	177.3	-54.2	0	0	0	0	111.8	L148 Y153 G176 L182 A183 V232 D235	L148-T179 HydrophobicContact CD2-CG2 4.23Å; Y153-T179 HydrophobicContact CD2-CG2 3.94Å; Y153-T179 HydrophobicContact CE2-CG2 4.46Å; Y153-T179 HydrophobicContact CG-CG2 4.28Å; G176-T179 WeakPolarHBondContact O-CB 3.21Å; G176-T179 PolarHBondContact O-N 3.13Å; T179-L182 PolarHBondContact O-N 3.2Å; T179-A183 VanDerWaalsContact O-CB 3.27Å; T179-A183 WeakPolarHBondContact O-CB 3.17Å; T179-A183 PolarHBondContact O-N 2.9Å; T179-V232 HydrophobicContact CG2-CG1 4.23Å; T179-V232 HydrophobicContact CG2-CG2 4.4Å; T179-D235 PolarHBondContact N-OD2 2.94Å; T179-D235 WeakPolarHBondContact OG1-CB 3.11Å; T179-D235 PolarHBondContact OG1-OD2 3.01Å
180	E	95	Very high	82.4	Confident	80 Å²	80	49.3 Å²	49.3	37%	0.374	26%	0.259	S	S	.	.	H	α-helix	trans	-63.1	-42.5	173.9	-74.8	-167.5	139.6	0	0	112.6	Y153 G176 A183 S184	Y153-E180 HydrophobicContact CE2-CG 3.9Å; G176-E180 PolarHBondContact O-N 3.17Å; E180-A183 PolarHBondContact O-N 2.98Å; E180-S184 WeakPolarHBondContact O-CB 3.13Å; E180-S184 PolarHBondContact O-N 3.48Å; E180-S184 PolarHBondContact O-OG 3.36Å
181	Q	96.6	Very high	84.9	Confident	49 Å²	49	40.9 Å²	40.9	23%	0.229	22%	0.221	C	C	.	.	H	α-helix	trans	-70.3	-39.9	177.5	-71.7	-68.4	-39.2	0	0	112	E177 V178 S184 L185 F202 I205	E177-Q181 WeakPolarHBondContact O-CB 3.37Å; E177-Q181 VanDerWaalsContact O-CG 3.25Å; E177-Q181 WeakPolarHBondContact O-CG 3.37Å; E177-Q181 PolarHBondContact O-N 3.46Å; E177-Q181 VanDerWaalsContact O-N 3.11Å; V178-Q181 PolarHBondContact O-N 3.39Å; Q181-S184 PolarHBondContact O-N 3.26Å; Q181-L185 WeakPolarHBondContact O-CB 3.35Å; Q181-L185 PolarHBondContact O-N 2.82Å; Q181-F202 HydrophobicContact CB-CD2 4.03Å; Q181-I205 HydrophobicContact CB-CG2 4.04Å; Q181-I205 HydrophobicContact CG-CB 4.34Å; Q181-I205 HydrophobicContact CG-CG1 4.22Å; Q181-I205 HydrophobicContact CG-CG2 4.26Å
182	L	97.6	Very high	87.3	Confident	3 Å²	3	38.8 Å²	38.8	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-60.7	-47.3	172	-178.8	64.6	0	0	0	111.1	V135 L148 V178 T179 S184 L185 V186 F202 L228 V232	V135-L182 HydrophobicContact CG2-CD1 4.34Å; L148-L182 HydrophobicContact CD1-CD2 4.07Å; L148-L182 HydrophobicContact CD1-CG 4.08Å; V178-L182 WeakPolarHBondContact O-CB 3.37Å; V178-L182 PolarHBondContact O-N 3.11Å; T179-L182 PolarHBondContact O-N 3.2Å; L182-S184 VanDerWaalsContact C-N 3.33Å; L182-S184 PolarHBondContact O-N 2.9Å; L182-L185 PolarHBondContact O-N 2.91Å; L182-V186 HydrophobicContact CD1-CG2 4.21Å; L182-V186 HydrophobicContact CG-CG2 4.4Å; L182-V186 WeakPolarHBondContact O-CB 3.49Å; L182-V186 WeakPolarHBondContact O-CG2 3.32Å; L182-V186 PolarHBondContact O-N 3.38Å; L182-F202 HydrophobicContact CB-CE2 3.93Å; L182-F202 HydrophobicContact CD1-CE2 4.21Å; L182-F202 HydrophobicContact CD1-CZ 4.06Å; L182-L228 HydrophobicContact CD1-CD2 4.3Å; L182-L228 HydrophobicContact CD2-CD1 4.26Å; L182-L228 HydrophobicContact CD2-CD2 4.27Å; L182-L228 HydrophobicContact CD2-CG 4.35Å; L182-V232 HydrophobicContact CD2-CG2 3.99Å
183	A	97.1	Very high	89.6	Confident	3 Å²	3	36.6 Å²	36.6	3%	0.025	20%	0.198	C	C	.	.	H	α-helix	trans	-62.8	-39.2	178.7	0	0	0	0	0	112.8	L148 Y153 T179 E180 R187	L148-A183 HydrophobicContact CB-CB 3.98Å; L148-A183 HydrophobicContact CD2-CB 4.05Å; Y153-A183 HydrophobicContact CD1-CB 4.18Å; Y153-A183 HydrophobicContact CE1-CB 3.31Å; Y153-A183 WeakPolarHBondContact OH-CB 3.14Å; T179-A183 VanDerWaalsContact O-CB 3.27Å; T179-A183 WeakPolarHBondContact O-CB 3.17Å; T179-A183 PolarHBondContact O-N 2.9Å; E180-A183 PolarHBondContact O-N 2.98Å; A183-R187 VanDerWaalsContact O-CB 3.24Å; A183-R187 WeakPolarHBondContact O-CB 3.49Å; A183-R187 PolarHBondContact O-N 2.88Å
184	S	97.1	Very high	92	Very high	51 Å²	51	34 Å²	34	36%	0.357	18%	0.175	S	C	.	.	H	α-helix	trans	-64.7	-41.6	175.8	-57.4	0	0	0	0	111.4	E180 Q181 L182 A188	E180-S184 WeakPolarHBondContact O-CB 3.13Å; E180-S184 PolarHBondContact O-N 3.48Å; E180-S184 PolarHBondContact O-OG 3.36Å; Q181-S184 PolarHBondContact O-N 3.26Å; L182-S184 VanDerWaalsContact C-N 3.33Å; L182-S184 PolarHBondContact O-N 2.9Å; S184-A188 WeakPolarHBondContact O-CB 3.37Å; S184-A188 PolarHBondContact O-N 3.41Å
185	L	97.6	Very high	94	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-67.9	-46.5	177.1	-175.6	59.7	0	0	0	112.4	L122 V135 Q181 L182 A188 L189 Y194 M198 F202	L122-L185 HydrophobicContact CD2-CD1 3.87Å; L122-L185 HydrophobicContact CD2-CD2 4.37Å; L122-L185 HydrophobicContact CD2-CG 4.36Å; V135-L185 HydrophobicContact CG1-CD2 3.99Å; V135-L185 HydrophobicContact CG1-CG 4.47Å; Q181-L185 WeakPolarHBondContact O-CB 3.35Å; Q181-L185 PolarHBondContact O-N 2.82Å; L182-L185 PolarHBondContact O-N 2.91Å; L185-A188 PolarHBondContact O-N 3.43Å; L185-L189 WeakPolarHBondContact O-CG 3.08Å; L185-L189 PolarHBondContact O-N 3.43Å; L185-Y194 HydrophobicContact CD1-CD2 3.73Å; L185-Y194 HydrophobicContact CD1-CE2 3.78Å; L185-M198 HydrophobicContact CD1-CB 4.01Å; L185-F202 HydrophobicContact CD2-CB 4.13Å; L185-F202 HydrophobicContact CD2-CD1 4.05Å; L185-F202 HydrophobicContact CD2-CG 4.1Å
186	V	97.7	Very high	95.4	Very high	1 Å²	1	31 Å²	31	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-60.9	-47.5	175.8	169.7	0	0	0	0	110.5	L148 L182 A188 L189 W190	L148-V186 HydrophobicContact CD1-CG2 4.17Å; L182-V186 HydrophobicContact CD1-CG2 4.21Å; L182-V186 HydrophobicContact CG-CG2 4.4Å; L182-V186 WeakPolarHBondContact O-CB 3.49Å; L182-V186 WeakPolarHBondContact O-CG2 3.32Å; L182-V186 PolarHBondContact O-N 3.38Å; V186-A188 VanDerWaalsContact C-N 3.33Å; V186-A188 PolarHBondContact O-N 3.14Å; V186-L189 PolarHBondContact O-N 2.94Å; V186-W190 VanDerWaalsContact O-CD1 3.31Å; V186-W190 PolarHBondContact O-N 3.33Å; V186-W190 VanDerWaalsContact O-N 3.15Å
187	R	96.5	Very high	96	Very high	93 Å²	93	36.6 Å²	36.6	35%	0.351	19%	0.189	S	C	.	.	H	α-helix	trans	-56.9	-46.6	175.9	-175.9	-178.4	-77	-175.3	-5.8	111.1	G149 A183 L189 W190 T191 L799	G149-R187 VanDerWaalsContact O-CZ 3.23Å; G149-R187 PolarHBondContact O-NE 2.82Å; G149-R187 PolarHBondContact O-NH2 2.99Å; A183-R187 VanDerWaalsContact O-CB 3.24Å; A183-R187 WeakPolarHBondContact O-CB 3.49Å; A183-R187 PolarHBondContact O-N 2.88Å; R187-L189 VanDerWaalsContact C-N 3.35Å; R187-L189 PolarHBondContact O-N 3.36Å; R187-W190 CarbonylContact O-C 3.46Å; R187-W190 PolarHBondContact O-N 3.47Å; R187-W190 VanDerWaalsContact O-N 3.15Å; R187-T191 HydrophobicContact CG-CG2 4.03Å; R187-T191 WeakPolarHBondContact O-CG2 3.13Å; R187-T191 PolarHBondContact O-N 2.89Å; R187-T191 PolarHBondContact O-OG1 3.27Å; R187-T191 VanDerWaalsContact O-OG1 3.14Å; R187-L799 HydrophobicContact CG-CD2 4.23Å
188	A	96.8	Very high	96.3	Very high	10 Å²	10	37.4 Å²	37.4	8%	0.083	19%	0.193	C	C	.	.	H	α-helix	trans	-67.5	-28.9	-178.9	0	0	0	0	0	114.2	S184 L185 V186 L192 D193 Y194	S184-A188 WeakPolarHBondContact O-CB 3.37Å; S184-A188 PolarHBondContact O-N 3.41Å; L185-A188 PolarHBondContact O-N 3.43Å; V186-A188 VanDerWaalsContact C-N 3.33Å; V186-A188 PolarHBondContact O-N 3.14Å; A188-L192 CarbonylContact O-C 3.59Å; A188-L192 PolarHBondContact O-N 2.97Å; A188-D193 HydrophobicContact CB-CB 4.49Å; A188-D193 PolarHBondContact O-N 3.49Å; A188-Y194 PolarHBondContact O-N 2.98Å
189	L	96.6	Very high	96.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.6	-41.5	170.1	-71.7	170.5	0	0	0	111.4	G118 L120 L122 V135 L185 V186 R187 Y194	G118-L189 WeakPolarHBondContact CA-O 3.17Å; G118-L189 PolarHBondContact N-O 2.91Å; L120-L189 HydrophobicContact CB-CD2 3.92Å; L122-L189 HydrophobicContact CD2-CD1 4.24Å; L122-L189 HydrophobicContact CD2-CD2 3.95Å; L122-L189 HydrophobicContact CD2-CG 4.44Å; L122-L189 HydrophobicContact CG-CD2 4.36Å; V135-L189 HydrophobicContact CG1-CD1 4.43Å; L185-L189 WeakPolarHBondContact O-CG 3.08Å; L185-L189 PolarHBondContact O-N 3.43Å; V186-L189 PolarHBondContact O-N 2.94Å; R187-L189 VanDerWaalsContact C-N 3.35Å; R187-L189 PolarHBondContact O-N 3.36Å; L189-Y194 HydrophobicContact CD2-CD2 4.34Å; L189-Y194 HydrophobicContact CD2-CG 4.09Å
190	W	95.8	Very high	96.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-80.7	-30.7	-178.7	-77.7	101.2	0	0	0	114.5	P117 S139 V186 R187 L192 V738 W795 L796	P117-W190 HydrophobicContact CB-CE3 3.99Å; P117-W190 HydrophobicContact CB-CZ3 4.42Å; P117-W190 WeakPolarHBondContact CB-O 3.21Å; P117-W190 WeakPolarHBondContact O-CZ3 3.43Å; S139-W190 PolarHBondContact O-NE1 3.04Å; S139-W190 PolarHBondContact OG-NE1 3.45Å; V186-W190 VanDerWaalsContact O-CD1 3.31Å; V186-W190 PolarHBondContact O-N 3.33Å; V186-W190 VanDerWaalsContact O-N 3.15Å; R187-W190 CarbonylContact O-C 3.46Å; R187-W190 PolarHBondContact O-N 3.47Å; R187-W190 VanDerWaalsContact O-N 3.15Å; W190-L192 VanDerWaalsContact C-N 3.31Å; W190-V738 HydrophobicContact CZ3-CG2 4.07Å; W190-W795 HydrophobicContact CB-CH2 3.59Å; W190-W795 HydrophobicContact CB-CZ2 3.77Å; W190-W795 AromaticContact CD1-CZ2 3.81Å; W190-W795 AromaticContact CD2-CZ2 3.8Å; W190-W795 HydrophobicContact CD2-CZ2 3.8Å; W190-W795 HydrophobicContact CE3-CZ2 4.36Å; W190-W795 AromaticContact CG-CH2 3.83Å; W190-W795 HydrophobicContact CG-CH2 3.83Å; W190-W795 AromaticContact CG-CZ2 3.52Å; W190-W795 HydrophobicContact CG-CZ2 3.52Å; W190-L796 HydrophobicContact CB-CD1 4.41Å; W190-L796 WeakPolarHBondContact O-CD2 3.25Å
191	T	94.8	Very high	96.6	Very high	17 Å²	17	38.9 Å²	38.9	10%	0.104	21%	0.207	C	C	.	.	S	Bend	trans	-85.8	-2.2	174.3	62.3	0	0	0	0	113.8	Y112 R187 D193 L796 L799	Y112-T191 VanDerWaalsContact CE1-O 3.32Å; Y112-T191 WeakPolarHBondContact CE1-O 3.27Å; R187-T191 HydrophobicContact CG-CG2 4.03Å; R187-T191 WeakPolarHBondContact O-CG2 3.13Å; R187-T191 PolarHBondContact O-N 2.89Å; R187-T191 PolarHBondContact O-OG1 3.27Å; R187-T191 VanDerWaalsContact O-OG1 3.14Å; T191-D193 WeakPolarHBondContact CB-OD2 3.32Å; T191-D193 PolarHBondContact O-N 2.87Å; T191-D193 PolarHBondContact OG1-OD2 3.19Å; T191-L796 HydrophobicContact CG2-CD1 3.94Å; T191-L799 HydrophobicContact CG2-CD2 3.85Å
192	L	94.1	Very high	96.6	Very high	39 Å²	39	36.5 Å²	36.5	20%	0.204	20%	0.196	C	C	.	.	S	Bend	trans	67.9	12.3	-174.2	-50.2	177.3	0	0	0	115.8	Y112 K115 L120 A188 W190 Y194	Y112-L192 HydrophobicContact CD1-CD1 4.22Å; Y112-L192 HydrophobicContact CD1-CG 4.35Å; Y112-L192 HydrophobicContact CG-CD1 4.47Å; K115-L192 HydrophobicContact CB-CD1 3.56Å; K115-L192 HydrophobicContact CD-CD1 3.94Å; K115-L192 HydrophobicContact CG-CD1 4.44Å; L120-L192 HydrophobicContact CD1-CB 4.2Å; L120-L192 HydrophobicContact CD1-CD2 3.73Å; L120-L192 HydrophobicContact CD2-CD2 4.42Å; L120-L192 HydrophobicContact CG-CD2 3.79Å; A188-L192 CarbonylContact O-C 3.59Å; A188-L192 PolarHBondContact O-N 2.97Å; W190-L192 VanDerWaalsContact C-N 3.31Å; L192-Y194 VanDerWaalsContact C-N 3.33Å; L192-Y194 PolarHBondContact O-N 2.83Å
193	D	94.8	Very high	96.6	Very high	115 Å²	115	37.8 Å²	37.8	62%	0.615	20%	0.201	S	C	*	.			trans	-86.1	5.9	178.8	-62.9	-60.2	0	0	0	114.3	A188 T191 T195	A188-D193 HydrophobicContact CB-CB 4.49Å; A188-D193 PolarHBondContact O-N 3.49Å; T191-D193 WeakPolarHBondContact CB-OD2 3.32Å; T191-D193 PolarHBondContact O-N 2.87Å; T191-D193 PolarHBondContact OG1-OD2 3.19Å; D193-T195 PolarHBondContact O-N 2.83Å
194	Y	97.3	Very high	96.5	Very high	35 Å²	35	41.3 Å²	41.3	14%	0.137	23%	0.226	C	C	.	.			trans	-56.9	128.5	-175.1	166.6	-104.2	0	0	0	113.1	G121 L122 K123 L185 A188 L189 L192 S199	G121-Y194 WeakPolarHBondContact O-CD1 3.31Å; G121-Y194 WeakPolarHBondContact O-CE1 3.26Å; L122-Y194 HydrophobicContact CD2-CD2 4.12Å; L122-Y194 HydrophobicContact CD2-CE2 3.6Å; K123-Y194 PolarHBondContact N-OH 2.89Å; L185-Y194 HydrophobicContact CD1-CD2 3.73Å; L185-Y194 HydrophobicContact CD1-CE2 3.78Å; A188-Y194 PolarHBondContact O-N 2.98Å; L189-Y194 HydrophobicContact CD2-CD2 4.34Å; L189-Y194 HydrophobicContact CD2-CG 4.09Å; L192-Y194 VanDerWaalsContact C-N 3.33Å; L192-Y194 PolarHBondContact O-N 2.83Å; Y194-S199 PolarHBondContact OH-OG 3.5Å
195	T	96.9	Very high	96.5	Very high	60 Å²	60	40.1 Å²	40.1	37%	0.368	22%	0.215	S	C	.	.			trans	-121.7	146.6	171.1	64.3	0	0	0	0	111.4	D193 Q197 M198	D193-T195 PolarHBondContact O-N 2.83Å; T195-Q197 PolarHBondContact O-N 3.48Å; T195-M198 PolarHBondContact O-N 2.94Å; T195-M198 WeakPolarHBondContact OG1-CG 3.35Å
196	P	96.8	Very high	96.4	Very high	57 Å²	57	40.1 Å²	40.1	37%	0.37	22%	0.215	S	C	.	.	H	α-helix	trans	-57	-17.5	176.9	-28.7	37	0	0	0	116.1	K123 H125 S199 G200	K123-P196 HydrophobicContact CB-CB 4.21Å; K123-P196 HydrophobicContact CD-CB 3.73Å; K123-P196 HydrophobicContact CD-CG 4.38Å; H125-P196 PolarHBondContact CE1-O 2.97Å; H125-P196 PolarHBondContact NE2-O 2.84Å; P196-S199 PolarHBondContact O-OG 3.42Å; P196-G200 PolarHBondContact O-N 2.98Å
197	Q	96.9	Very high	96.2	Very high	119 Å²	119	41.2 Å²	41.2	56%	0.556	22%	0.223	S	C	*	.	H	α-helix	trans	-65.1	-47.6	173.8	-73	78.5	-17.8	0	0	110.4	T195 S199 G200 E201	T195-Q197 PolarHBondContact O-N 3.48Å; Q197-S199 PolarHBondContact O-N 3.17Å; Q197-G200 CarbonylContact O-C 3.58Å; Q197-G200 WeakPolarHBondContact O-CA 3.48Å; Q197-G200 PolarHBondContact O-N 2.89Å; Q197-E201 WeakPolarHBondContact O-CG 3.33Å; Q197-E201 PolarHBondContact O-N 2.87Å
198	M	97.3	Very high	96.1	Very high	49 Å²	49	41.7 Å²	41.7	24%	0.241	23%	0.227	C	C	.	.	H	α-helix	trans	-58.9	-42.9	-178.2	-57	-87.7	73.6	0	0	112.4	L185 T195 G200 E201 F202	L185-M198 HydrophobicContact CD1-CB 4.01Å; T195-M198 PolarHBondContact O-N 2.94Å; T195-M198 WeakPolarHBondContact OG1-CG 3.35Å; M198-G200 VanDerWaalsContact C-N 3.32Å; M198-G200 PolarHBondContact O-N 2.93Å; M198-E201 WeakPolarHBondContact CE-OE2 3.43Å; M198-E201 PolarHBondContact O-N 2.87Å; M198-F202 WeakPolarHBondContact O-CB 3.25Å; M198-F202 PolarHBondContact O-N 2.86Å
199	S	96.9	Very high	96	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-71.7	-25.2	175.9	52.3	0	0	0	0	113.2	H125 Y194 P196 Q197 K203	H125-S199 PolarHBondContact NE2-OG 3.18Å; Y194-S199 PolarHBondContact OH-OG 3.5Å; P196-S199 PolarHBondContact O-OG 3.42Å; Q197-S199 PolarHBondContact O-N 3.17Å; S199-K203 PolarHBondContact O-N 2.85Å
200	G	96.8	Very high	95.8	Very high	24 Å²	24	44.8 Å²	44.8	25%	0.247	24%	0.238	C	C	.	.	H	α-helix	trans	-75.4	-38.7	171.8	0	0	0	0	0	112.9	H125 P196 Q197 M198 K203 S204	H125-G200 PolarHBondContact NE2-N 3.35Å; P196-G200 PolarHBondContact O-N 2.98Å; Q197-G200 CarbonylContact O-C 3.58Å; Q197-G200 WeakPolarHBondContact O-CA 3.48Å; Q197-G200 PolarHBondContact O-N 2.89Å; M198-G200 VanDerWaalsContact C-N 3.32Å; M198-G200 PolarHBondContact O-N 2.93Å; G200-K203 PolarHBondContact O-N 2.81Å; G200-S204 WeakPolarHBondContact O-CB 3.42Å; G200-S204 PolarHBondContact O-N 3.14Å
201	E	96.6	Very high	95.6	Very high	88 Å²	88	49.1 Å²	49.1	41%	0.411	27%	0.268	S	S	.	.	H	α-helix	trans	-65.9	-42.7	173.2	-73.7	164.9	-146.4	0	0	110.7	Q197 M198 S204 I205	Q197-E201 WeakPolarHBondContact O-CG 3.33Å; Q197-E201 PolarHBondContact O-N 2.87Å; M198-E201 WeakPolarHBondContact CE-OE2 3.43Å; M198-E201 PolarHBondContact O-N 2.87Å; E201-S204 CarbonylContact O-C 3.54Å; E201-S204 WeakPolarHBondContact O-CA 3.03Å; E201-S204 VanDerWaalsContact O-CB 3.26Å; E201-S204 WeakPolarHBondContact O-CB 3.45Å; E201-S204 PolarHBondContact O-N 3.04Å; E201-S204 VanDerWaalsContact O-N 3.11Å; E201-I205 PolarHBondContact O-N 3.33Å
202	F	97.5	Very high	95.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.5	-45.8	169.6	-174.6	-111	0	0	0	112.3	M131 V135 V178 Q181 L182 L185 M198 S204 I205 V206 F224 L228	M131-F202 HydrophobicContact CE-CD1 4.14Å; M131-F202 HydrophobicContact CG-CD1 4.37Å; M131-F202 HydrophobicContact CG-CE1 4Å; M131-F202 HydrophobicContact SD-CD1 3.84Å; M131-F202 HydrophobicContact SD-CE1 3.95Å; V135-F202 HydrophobicContact CG2-CD1 4.46Å; V135-F202 HydrophobicContact CG2-CE1 3.73Å; V135-F202 HydrophobicContact CG2-CZ 4.33Å; V178-F202 HydrophobicContact CG1-CE2 4.35Å; Q181-F202 HydrophobicContact CB-CD2 4.03Å; L182-F202 HydrophobicContact CB-CE2 3.93Å; L182-F202 HydrophobicContact CD1-CE2 4.21Å; L182-F202 HydrophobicContact CD1-CZ 4.06Å; L185-F202 HydrophobicContact CD2-CB 4.13Å; L185-F202 HydrophobicContact CD2-CD1 4.05Å; L185-F202 HydrophobicContact CD2-CG 4.1Å; M198-F202 WeakPolarHBondContact O-CB 3.25Å; M198-F202 PolarHBondContact O-N 2.86Å; F202-S204 PolarHBondContact O-N 3.28Å; F202-I205 HydrophobicContact CD2-CG2 4.05Å; F202-I205 HydrophobicContact CE2-CG2 4.47Å; F202-I205 WeakPolarHBondContact O-CG2 3.43Å; F202-I205 PolarHBondContact O-N 3.29Å; F202-I205 VanDerWaalsContact O-N 3.14Å; F202-V206 HydrophobicContact CD1-CG2 4.3Å; F202-V206 HydrophobicContact CE1-CG2 3.97Å; F202-V206 HydrophobicContact CE2-CG2 4.2Å; F202-V206 HydrophobicContact CZ-CG2 3.91Å; F202-V206 WeakPolarHBondContact O-CG2 3.34Å; F202-V206 PolarHBondContact O-N 2.95Å; F202-F224 AromaticContact CE1-CZ 3.98Å; F202-F224 HydrophobicContact CE1-CZ 3.98Å; F202-F224 HydrophobicContact CZ-CZ 4.14Å; F202-L228 HydrophobicContact CE2-CD1 4.42Å; F202-L228 HydrophobicContact CZ-CD1 4.03Å; F202-L228 HydrophobicContact CZ-CD2 4.2Å
203	K	96.8	Very high	95.5	Very high	29 Å²	29	51 Å²	51	13%	0.126	28%	0.275	C	S	.	.	H	α-helix	trans	-56.7	-37.9	172.7	-166.4	-166.7	-176.8	177.6	0	111.9	H125 T128 M131 S199 G200 S207 G215 N216	H125-K203 HydrophobicContact CB-CD 3.86Å; H125-K203 PolarHBondContact O-NZ 3.04Å; T128-K203 HydrophobicContact CG2-CD 3.77Å; T128-K203 VanDerWaalsContact CG2-CE 3.49Å; T128-K203 HydrophobicContact CG2-CG 4.33Å; M131-K203 HydrophobicContact CE-CB 4.19Å; M131-K203 HydrophobicContact SD-CB 4.43Å; S199-K203 PolarHBondContact O-N 2.85Å; G200-K203 PolarHBondContact O-N 2.81Å; K203-S207 VanDerWaalsContact O-CB 3.26Å; K203-S207 WeakPolarHBondContact O-CB 3.26Å; K203-S207 PolarHBondContact O-N 3.4Å; K203-S207 PolarHBondContact O-OG 2.7Å; K203-G215 WeakPolarHBondContact CE-O 3.29Å; K203-G215 PolarHBondContact NZ-O 3.36Å; K203-N216 PolarHBondContact NZ-OD1 2.88Å
204	S	95.9	Very high	95.4	Very high	78 Å²	78	53 Å²	53	55%	0.545	27%	0.274	S	S	.	.	H	α-helix	trans	-66.5	-43	177.4	-163.6	0	0	0	0	111.9	G200 E201 F202 S207 K208	G200-S204 WeakPolarHBondContact O-CB 3.42Å; G200-S204 PolarHBondContact O-N 3.14Å; E201-S204 CarbonylContact O-C 3.54Å; E201-S204 WeakPolarHBondContact O-CA 3.03Å; E201-S204 VanDerWaalsContact O-CB 3.26Å; E201-S204 WeakPolarHBondContact O-CB 3.45Å; E201-S204 PolarHBondContact O-N 3.04Å; E201-S204 VanDerWaalsContact O-N 3.11Å; F202-S204 PolarHBondContact O-N 3.28Å; S204-S207 CarbonylContact O-C 3.48Å; S204-S207 WeakPolarHBondContact O-CB 3.27Å; S204-S207 PolarHBondContact O-N 3.14Å; S204-K208 PolarHBondContact O-N 3.35Å
205	I	95.6	Very high	95	Very high	25 Å²	25	53.4 Å²	53.4	13%	0.128	29%	0.288	C	S	.	.	H	α-helix	trans	-67.5	-41.4	177.6	-135	67.1	0	0	0	111.4	E177 V178 Q181 E201 F202 S207 K208 Y209	E177-I205 HydrophobicContact CB-CD1 4.32Å; E177-I205 HydrophobicContact CB-CG1 4.11Å; E177-I205 VanDerWaalsContact OE2-CD1 3.28Å; E177-I205 WeakPolarHBondContact OE2-CD1 3.28Å; V178-I205 HydrophobicContact CB-CG2 4.35Å; V178-I205 HydrophobicContact CG1-CG2 4.2Å; V178-I205 HydrophobicContact CG2-CG1 4.49Å; V178-I205 HydrophobicContact CG2-CG2 4.19Å; Q181-I205 HydrophobicContact CB-CG2 4.04Å; Q181-I205 HydrophobicContact CG-CB 4.34Å; Q181-I205 HydrophobicContact CG-CG1 4.22Å; Q181-I205 HydrophobicContact CG-CG2 4.26Å; E201-I205 PolarHBondContact O-N 3.33Å; F202-I205 HydrophobicContact CD2-CG2 4.05Å; F202-I205 HydrophobicContact CE2-CG2 4.47Å; F202-I205 WeakPolarHBondContact O-CG2 3.43Å; F202-I205 PolarHBondContact O-N 3.29Å; F202-I205 VanDerWaalsContact O-N 3.14Å; I205-S207 VanDerWaalsContact C-N 3.33Å; I205-S207 PolarHBondContact O-N 2.94Å; I205-K208 HydrophobicContact CD1-CD 4.23Å; I205-K208 WeakPolarHBondContact O-CB 3.35Å; I205-K208 PolarHBondContact O-N 3.11Å; I205-Y209 HydrophobicContact CG1-CE2 4.32Å; I205-Y209 WeakPolarHBondContact O-CD2 3.14Å; I205-Y209 PolarHBondContact O-N 2.55Å
206	V	96.1	Very high	94.8	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.024	30%	0.297	C	S	.	.	H	α-helix	trans	-58.2	-47	170.6	174.1	0	0	0	0	110	F202 K208 Y209 A210 F213 F224 W227	F202-V206 HydrophobicContact CD1-CG2 4.3Å; F202-V206 HydrophobicContact CE1-CG2 3.97Å; F202-V206 HydrophobicContact CE2-CG2 4.2Å; F202-V206 HydrophobicContact CZ-CG2 3.91Å; F202-V206 WeakPolarHBondContact O-CG2 3.34Å; F202-V206 PolarHBondContact O-N 2.95Å; V206-K208 PolarHBondContact O-N 3.34Å; V206-Y209 PolarHBondContact O-N 3.39Å; V206-A210 PolarHBondContact O-N 3.43Å; V206-F213 HydrophobicContact CG1-CB 3.88Å; V206-F213 HydrophobicContact CG1-CD2 3.77Å; V206-F213 HydrophobicContact CG1-CG 4.21Å; V206-F224 HydrophobicContact CG1-CD2 4.43Å; V206-F224 HydrophobicContact CG1-CE2 3.83Å; V206-F224 HydrophobicContact CG2-CE2 3.95Å; V206-F224 HydrophobicContact CG2-CZ 4.3Å; V206-W227 HydrophobicContact CB-CH2 4.36Å; V206-W227 HydrophobicContact CB-CZ3 4.4Å; V206-W227 HydrophobicContact CG1-CH2 4.22Å; V206-W227 HydrophobicContact CG1-CZ3 4.02Å; V206-W227 HydrophobicContact CG2-CH2 4.13Å; V206-W227 HydrophobicContact CG2-CZ3 3.92Å
207	S	94.4	Very high	94.5	Very high	23 Å²	23	55.5 Å²	55.5	16%	0.161	30%	0.299	C	S	.	.	H	α-helix	trans	-66.2	-16.1	176.2	-61.9	0	0	0	0	114.6	K203 S204 I205 R214	K203-S207 VanDerWaalsContact O-CB 3.26Å; K203-S207 WeakPolarHBondContact O-CB 3.26Å; K203-S207 PolarHBondContact O-N 3.4Å; K203-S207 PolarHBondContact O-OG 2.7Å; S204-S207 CarbonylContact O-C 3.48Å; S204-S207 WeakPolarHBondContact O-CB 3.27Å; S204-S207 PolarHBondContact O-N 3.14Å; I205-S207 VanDerWaalsContact C-N 3.33Å; I205-S207 PolarHBondContact O-N 2.94Å; S207-R214 PolarHBondContact O-NE 3.26Å; S207-R214 PolarHBondContact O-NH2 2.95Å; S207-R214 VanDerWaalsContact O-NH2 3.14Å
208	K	94.3	Very high	94.1	Very high	104 Å²	104	53.1 Å²	53.1	45%	0.452	29%	0.288	S	S	.	.	H	α-helix	trans	-79.6	-46.9	174.1	-179.3	-177.2	170.9	-175.5	0	110.8	E177 S204 I205 V206	E177-K208 IonicContact OE1-NZ 2.66Å; E177-K208 PolarHBondContact OE1-NZ 3.22Å; E177-K208 IonicContact OE2-NZ 3.57Å; E177-K208 PolarHBondContact OE2-NZ 3.24Å; S204-K208 PolarHBondContact O-N 3.35Å; I205-K208 HydrophobicContact CD1-CD 4.23Å; I205-K208 WeakPolarHBondContact O-CB 3.35Å; I205-K208 PolarHBondContact O-N 3.11Å; V206-K208 PolarHBondContact O-N 3.34Å
209	Y	93.2	Very high	93.9	Very high	72 Å²	72	52.4 Å²	52.4	28%	0.282	28%	0.284	S	S	.	.	H	α-helix	trans	-94.4	-30.2	-173.2	-71.7	-89.6	0	0	0	114.5	S174 E177 V178 I205 V206	S174-Y209 PolarHBondContact O-OH 2.98Å; E177-Y209 HydrophobicContact CB-CE2 4.15Å; E177-Y209 VanDerWaalsContact CD-OH 3.26Å; E177-Y209 WeakPolarHBondContact OE2-CE2 3.44Å; E177-Y209 PolarHBondContact OE2-OH 2.72Å; V178-Y209 HydrophobicContact CG2-CD2 3.5Å; V178-Y209 HydrophobicContact CG2-CE2 3.93Å; V178-Y209 HydrophobicContact CG2-CG 3.98Å; I205-Y209 HydrophobicContact CG1-CE2 4.32Å; I205-Y209 WeakPolarHBondContact O-CD2 3.14Å; I205-Y209 PolarHBondContact O-N 2.55Å; V206-Y209 PolarHBondContact O-N 3.39Å
210	A	93.8	Very high	93.8	Very high	2 Å²	2	54.5 Å²	54.5	2%	0.017	30%	0.295	C	S	.	.			trans	-112.4	107.8	175.9	0	0	0	0	0	110.6	V206 Q212 F213 W227	V206-A210 PolarHBondContact O-N 3.43Å; A210-Q212 VanDerWaalsContact C-N 3.28Å; A210-Q212 PolarHBondContact O-N 3.26Å; A210-F213 HydrophobicContact CB-CD2 3.46Å; A210-F213 VanDerWaalsContact CB-CD2 3.46Å; A210-F213 HydrophobicContact CB-CE2 3.97Å; A210-F213 HydrophobicContact CB-CG 4.39Å; A210-W227 HydrophobicContact CB-CD2 4.19Å; A210-W227 HydrophobicContact CB-CH2 4.43Å; A210-W227 HydrophobicContact CB-CZ2 3.78Å
211	S	91.8	Very high	93.7	Very high	92 Å²	92	53.3 Å²	53.3	64%	0.643	28%	0.283	S	S	*	.	S	Bend	trans	-69.4	-24.6	178.8	53.9	0	0	0	0	113.2	R214	S211-R214 WeakPolarHBondContact O-CB 3.34Å; S211-R214 PolarHBondContact O-N 2.78Å
212	Q	92.3	Very high	93.7	Very high	88 Å²	88	50 Å²	50	41%	0.411	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-35.9	178.9	68.3	-126.3	71.3	0	0	113	A210 R214 H219 E223	A210-Q212 VanDerWaalsContact C-N 3.28Å; A210-Q212 PolarHBondContact O-N 3.26Å; Q212-R214 PolarHBondContact O-N 2.76Å; Q212-H219 PolarHBondContact O-CE1 2.81Å; Q212-E223 PolarHBondContact NE2-OE1 2.73Å
213	F	93.9	Very high	93.6	Very high	7 Å²	7	53.7 Å²	53.7	3%	0.031	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	14.3	-178.6	-53.3	-50	0	0	0	113.3	F130 V206 A210 H219 E223 F224 W227	F130-F213 HydrophobicContact CE2-CD1 4.13Å; F130-F213 HydrophobicContact CE2-CE1 4.44Å; F130-F213 HydrophobicContact CZ-CD1 4.32Å; V206-F213 HydrophobicContact CG1-CB 3.88Å; V206-F213 HydrophobicContact CG1-CD2 3.77Å; V206-F213 HydrophobicContact CG1-CG 4.21Å; A210-F213 HydrophobicContact CB-CD2 3.46Å; A210-F213 VanDerWaalsContact CB-CD2 3.46Å; A210-F213 HydrophobicContact CB-CE2 3.97Å; A210-F213 HydrophobicContact CB-CG 4.39Å; F213-H219 HydrophobicContact CD1-CB 4.06Å; F213-H219 AromaticContact CD1-CG 3.65Å; F213-H219 AromaticContact CD1-ND1 3.67Å; F213-H219 HydrophobicContact CE1-CB 4.09Å; F213-E223 HydrophobicContact CE1-CG 4.29Å; F213-E223 HydrophobicContact CZ-CG 4.04Å; F213-F224 AromaticContact CD2-CD2 3.95Å; F213-F224 HydrophobicContact CD2-CD2 3.95Å; F213-F224 HydrophobicContact CE1-CB 4.22Å; F213-F224 HydrophobicContact CE2-CB 4.44Å; F213-F224 AromaticContact CE2-CD2 3.77Å; F213-F224 HydrophobicContact CE2-CD2 3.77Å; F213-F224 HydrophobicContact CG-CD2 4.48Å; F213-F224 HydrophobicContact CZ-CB 3.95Å; F213-F224 HydrophobicContact CZ-CD2 4.12Å; F213-W227 HydrophobicContact CD2-CE3 4.49Å; F213-W227 HydrophobicContact CE2-CB 4.16Å; F213-W227 HydrophobicContact CE2-CD2 4.01Å; F213-W227 HydrophobicContact CE2-CE3 4.1Å; F213-W227 HydrophobicContact CE2-CG 4.01Å
214	R	91.6	Very high	93.7	Very high	157 Å²	157	52.3 Å²	52.3	59%	0.592	28%	0.279	S	S	*	.			trans	-75.2	126.1	178.5	-79.4	-173.3	169.5	-165.9	-4.4	112	S207 S211 Q212	S207-R214 PolarHBondContact O-NE 3.26Å; S207-R214 PolarHBondContact O-NH2 2.95Å; S207-R214 VanDerWaalsContact O-NH2 3.14Å; S211-R214 WeakPolarHBondContact O-CB 3.34Å; S211-R214 PolarHBondContact O-N 2.78Å; Q212-R214 PolarHBondContact O-N 2.76Å
215	G	90.4	Very high	93.8	Very high	43 Å²	43	48.6 Å²	48.6	44%	0.443	25%	0.253	S	S	.	.	S	Bend	trans	104.2	-141	172.8	0	0	0	0	0	112.1	K203	K203-G215 WeakPolarHBondContact CE-O 3.29Å; K203-G215 PolarHBondContact NZ-O 3.36Å
216	N	91.3	Very high	93.9	Very high	103 Å²	103	49.8 Å²	49.8	55%	0.551	26%	0.259	S	S	*	.	S	Bend	trans	-132.1	31	-172.2	-58.2	-16.8	0	0	0	111.4	N127 K203	N127-N216 WeakPolarHBondContact CB-O 3.2Å; N127-N216 PolarHBondContact ND2-O 3.08Å; K203-N216 PolarHBondContact NZ-OD1 2.88Å
217	S	90.7	Very high	94	Very high	58 Å²	58	51.7 Å²	51.7	41%	0.406	27%	0.266	S	S	.	.			trans	-72.6	158.8	167.5	28.3	0	0	0	0	110.9	N127 H219	N127-S217 WeakPolarHBondContact CB-O 3.45Å; S217-H219 WeakPolarHBondContact CB-NE2 3.37Å; S217-H219 PolarHBondContact O-CD2 2.83Å; S217-H219 VanDerWaalsContact O-CD2 3.32Å; S217-H219 PolarHBondContact OG-CE1 2.92Å; S217-H219 PolarHBondContact OG-NE2 3.19Å
218	Q	89.8	Confident	94.2	Very high	70 Å²	70	50.6 Å²	50.6	33%	0.327	26%	0.259	S	S	.	.			trans	-83.8	147.8	164.1	-65.3	-170.7	-11.5	0	0	109.3	N127 G728	N127-Q218 HydrophobicContact CB-CG 3.74Å; N127-Q218 VanDerWaalsContact CG-CG 3.46Å; N127-Q218 WeakPolarHBondContact OD1-CG 3.44Å; N127-Q218 PolarHBondContact OD1-NE2 2.96Å; Q218-G728 PolarHBondContact NE2-O 3.35Å; Q218-G728 PolarHBondContact OE1-O 3.42Å
219	H	92.6	Very high	94.3	Very high	34 Å²	34	45.9 Å²	45.9	16%	0.157	24%	0.238	C	C	.	.			trans	-135.4	167.9	-176.9	-66.9	-82.2	0	0	0	110.5	F130 Q212 F213 S217 Y730	F130-H219 HydrophobicContact CD1-CB 4.05Å; F130-H219 HydrophobicContact CD2-CB 3.91Å; F130-H219 HydrophobicContact CE1-CB 3.93Å; F130-H219 AromaticContact CE1-CD2 3.69Å; F130-H219 HydrophobicContact CE2-CB 3.8Å; F130-H219 HydrophobicContact CG-CB 4.06Å; F130-H219 HydrophobicContact CZ-CB 3.81Å; F130-H219 AromaticContact CZ-CD2 3.66Å; F130-H219 AromaticContact CZ-CG 3.99Å; Q212-H219 PolarHBondContact O-CE1 2.81Å; F213-H219 HydrophobicContact CD1-CB 4.06Å; F213-H219 AromaticContact CD1-CG 3.65Å; F213-H219 AromaticContact CD1-ND1 3.67Å; F213-H219 HydrophobicContact CE1-CB 4.09Å; S217-H219 WeakPolarHBondContact CB-NE2 3.37Å; S217-H219 PolarHBondContact O-CD2 2.83Å; S217-H219 VanDerWaalsContact O-CD2 3.32Å; S217-H219 PolarHBondContact OG-CE1 2.92Å; S217-H219 PolarHBondContact OG-NE2 3.19Å; H219-Y730 WeakPolarHBondContact O-CE2 3.43Å; H219-Y730 PolarHBondContact O-OH 3.42Å
220	D	93.6	Very high	94.4	Very high	43 Å²	43	46.5 Å²	46.5	23%	0.23	25%	0.246	C	C	.	.			trans	-77.2	131.4	173	-160.5	-51.9	0	0	0	110.2	L222 E223 F224 Y764	D220-L222 VanDerWaalsContact C-N 3.26Å; D220-L222 PolarHBondContact O-N 3.34Å; D220-L222 WeakPolarHBondContact OD1-CB 3.43Å; D220-L222 PolarHBondContact OD1-N 2.81Å; D220-E223 HydrophobicContact CB-CB 3.92Å; D220-E223 PolarHBondContact O-N 2.87Å; D220-F224 PolarHBondContact O-N 3.38Å; D220-Y764 WeakPolarHBondContact OD1-CE1 3.45Å; D220-Y764 PolarHBondContact OD1-OH 2.7Å; D220-Y764 VanDerWaalsContact OD1-OH 3.04Å; D220-Y764 PolarHBondContact OD2-OH 3.02Å; D220-Y764 VanDerWaalsContact OD2-OH 3.13Å
221	A	96.3	Very high	94.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.9	-30.6	176.4	0	0	0	0	0	112.2	F130 V134 L225 Y730 Y764 I765	F130-A221 HydrophobicContact CB-CB 4.3Å; V134-A221 HydrophobicContact CG2-CB 3.96Å; V134-A221 WeakPolarHBondContact CG2-O 3.3Å; A221-L225 WeakPolarHBondContact O-CB 3.46Å; A221-L225 PolarHBondContact O-N 3.06Å; A221-Y730 HydrophobicContact CB-CD1 3.76Å; A221-Y730 HydrophobicContact CB-CE1 3.46Å; A221-Y730 VanDerWaalsContact CB-CE1 3.46Å; A221-Y730 HydrophobicContact CB-CG 4.45Å; A221-Y730 PolarHBondContact N-OH 3.07Å; A221-Y764 HydrophobicContact CB-CE1 4.47Å; A221-I765 HydrophobicContact CB-CD1 4.23Å
222	L	96.6	Very high	94.4	Very high	18 Å²	18	44.1 Å²	44.1	9%	0.094	22%	0.224	C	C	.	.	H	α-helix	trans	-71.4	-42.7	176.7	-178.4	67.7	0	0	0	111.7	D220 F224 L225 L226 H642 I765	D220-L222 VanDerWaalsContact C-N 3.26Å; D220-L222 PolarHBondContact O-N 3.34Å; D220-L222 WeakPolarHBondContact OD1-CB 3.43Å; D220-L222 PolarHBondContact OD1-N 2.81Å; L222-F224 VanDerWaalsContact C-N 3.28Å; L222-F224 PolarHBondContact O-N 3.12Å; L222-L225 HydrophobicContact CD1-CD2 4.43Å; L222-L225 PolarHBondContact O-N 2.99Å; L222-L226 HydrophobicContact CD1-CD1 4.02Å; L222-L226 HydrophobicContact CD1-CG 4.05Å; L222-L226 HydrophobicContact CG-CD1 3.96Å; L222-L226 HydrophobicContact CG-CG 4.33Å; L222-L226 WeakPolarHBondContact O-CG 3.27Å; L222-L226 PolarHBondContact O-N 3.49Å; L222-H642 HydrophobicContact CD1-CB 4.12Å; L222-H642 HydrophobicContact CD2-CB 4.05Å; L222-H642 VanDerWaalsContact CD2-ND1 3.3Å; L222-H642 WeakPolarHBondContact CD2-ND1 3.43Å; L222-I765 HydrophobicContact CB-CD1 4Å; L222-I765 HydrophobicContact CD1-CD1 4.22Å
223	E	95.8	Very high	94.4	Very high	77 Å²	77	42 Å²	42	36%	0.36	21%	0.213	S	C	.	.	H	α-helix	trans	-57.5	-45.2	176.6	-172.8	-164.3	174.4	0	0	110.4	Q212 F213 D220 W227	Q212-E223 PolarHBondContact NE2-OE1 2.73Å; F213-E223 HydrophobicContact CE1-CG 4.29Å; F213-E223 HydrophobicContact CZ-CG 4.04Å; D220-E223 HydrophobicContact CB-CB 3.92Å; D220-E223 PolarHBondContact O-N 2.87Å; E223-W227 VanDerWaalsContact O-CB 3.32Å; E223-W227 WeakPolarHBondContact O-CB 3.39Å; E223-W227 PolarHBondContact O-N 3.11Å; E223-W227 VanDerWaalsContact O-N 3.12Å
224	F	97.9	Very high	94.2	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-68.6	-42.3	176.5	178.6	-106.1	0	0	0	113.1	F130 M131 V134 F202 V206 F213 D220 L222 W227 L228	F130-F224 HydrophobicContact CD2-CB 3.74Å; F130-F224 HydrophobicContact CD2-CD1 4.37Å; F130-F224 HydrophobicContact CD2-CG 4.01Å; F130-F224 HydrophobicContact CE2-CB 3.82Å; F130-F224 HydrophobicContact CE2-CD1 4.47Å; F130-F224 HydrophobicContact CE2-CD2 4.1Å; F130-F224 AromaticContact CE2-CG 3.84Å; F130-F224 HydrophobicContact CE2-CG 3.84Å; M131-F224 HydrophobicContact CB-CD1 4.33Å; M131-F224 HydrophobicContact CB-CE1 4.08Å; M131-F224 HydrophobicContact CB-CZ 4.35Å; M131-F224 HydrophobicContact CG-CD1 4.39Å; M131-F224 HydrophobicContact CG-CE1 3.67Å; M131-F224 HydrophobicContact CG-CE2 4.25Å; M131-F224 HydrophobicContact CG-CZ 3.6Å; M131-F224 HydrophobicContact SD-CZ 4.49Å; V134-F224 HydrophobicContact CB-CD1 3.81Å; V134-F224 HydrophobicContact CB-CE1 4.05Å; V134-F224 HydrophobicContact CG1-CD1 3.7Å; V134-F224 HydrophobicContact CG1-CE1 3.77Å; V134-F224 HydrophobicContact CG2-CD1 4.11Å; F202-F224 AromaticContact CE1-CZ 3.98Å; F202-F224 HydrophobicContact CE1-CZ 3.98Å; F202-F224 HydrophobicContact CZ-CZ 4.14Å; V206-F224 HydrophobicContact CG1-CD2 4.43Å; V206-F224 HydrophobicContact CG1-CE2 3.83Å; V206-F224 HydrophobicContact CG2-CE2 3.95Å; V206-F224 HydrophobicContact CG2-CZ 4.3Å; F213-F224 AromaticContact CD2-CD2 3.95Å; F213-F224 HydrophobicContact CD2-CD2 3.95Å; F213-F224 HydrophobicContact CE1-CB 4.22Å; F213-F224 HydrophobicContact CE2-CB 4.44Å; F213-F224 AromaticContact CE2-CD2 3.77Å; F213-F224 HydrophobicContact CE2-CD2 3.77Å; F213-F224 HydrophobicContact CG-CD2 4.48Å; F213-F224 HydrophobicContact CZ-CB 3.95Å; F213-F224 HydrophobicContact CZ-CD2 4.12Å; D220-F224 PolarHBondContact O-N 3.38Å; L222-F224 VanDerWaalsContact C-N 3.28Å; L222-F224 PolarHBondContact O-N 3.12Å; F224-W227 HydrophobicContact CD2-CE3 4.07Å; F224-W227 HydrophobicContact CD2-CZ3 4.47Å; F224-W227 AromaticContact CE2-CE3 3.85Å; F224-W227 HydrophobicContact CE2-CE3 3.85Å; F224-W227 AromaticContact CE2-CZ3 3.83Å; F224-W227 HydrophobicContact CE2-CZ3 3.83Å; F224-W227 PolarHBondContact O-N 3.13Å; F224-L228 HydrophobicContact CE1-CD2 3.92Å; F224-L228 HydrophobicContact CZ-CB 4.41Å; F224-L228 HydrophobicContact CZ-CD2 3.88Å; F224-L228 VanDerWaalsContact O-CB 3.28Å; F224-L228 WeakPolarHBondContact O-CB 3.49Å; F224-L228 PolarHBondContact O-N 3.46Å
225	L	98.5	Very high	94.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.6	-49.6	177.6	171.2	62.7	0	0	0	112.1	V134 L138 A221 L222 L228 L229 I640 I765 F767	V134-L225 HydrophobicContact CG1-CB 4.01Å; V134-L225 HydrophobicContact CG1-CD1 3.94Å; V134-L225 HydrophobicContact CG2-CB 4.1Å; L138-L225 HydrophobicContact CD1-CD1 4.11Å; L138-L225 HydrophobicContact CD2-CD1 4.01Å; L138-L225 HydrophobicContact CG-CD1 4.21Å; A221-L225 WeakPolarHBondContact O-CB 3.46Å; A221-L225 PolarHBondContact O-N 3.06Å; L222-L225 HydrophobicContact CD1-CD2 4.43Å; L222-L225 PolarHBondContact O-N 2.99Å; L225-L228 PolarHBondContact O-N 3.04Å; L225-L229 HydrophobicContact CD1-CD1 3.94Å; L225-L229 HydrophobicContact CD1-CG 4.23Å; L225-L229 HydrophobicContact CG-CD1 4.26Å; L225-L229 WeakPolarHBondContact O-CG 3.37Å; L225-L229 PolarHBondContact O-N 3.38Å; L225-I640 HydrophobicContact CD1-CD1 4.48Å; L225-I640 HydrophobicContact CD2-CD1 4.26Å; L225-I640 HydrophobicContact CD2-CG2 3.94Å; L225-I765 HydrophobicContact CD2-CD1 3.98Å; L225-I765 HydrophobicContact CD2-CG2 4.16Å; L225-F767 HydrophobicContact CD1-CE1 4.09Å; L225-F767 HydrophobicContact CD1-CZ 4.16Å; L225-F767 HydrophobicContact CD2-CE1 4Å; L225-F767 HydrophobicContact CD2-CZ 3.64Å
226	L	97.6	Very high	93.7	Very high	51 Å²	51	38.9 Å²	38.9	27%	0.267	20%	0.195	S	C	.	.	H	α-helix	trans	-66.3	-44.4	180	-67	176.3	0	0	0	111.1	L222 L228 L229 D230 L305 C306	L222-L226 HydrophobicContact CD1-CD1 4.02Å; L222-L226 HydrophobicContact CD1-CG 4.05Å; L222-L226 HydrophobicContact CG-CD1 3.96Å; L222-L226 HydrophobicContact CG-CG 4.33Å; L222-L226 WeakPolarHBondContact O-CG 3.27Å; L222-L226 PolarHBondContact O-N 3.49Å; L226-L228 VanDerWaalsContact C-N 3.29Å; L226-L228 PolarHBondContact O-N 2.9Å; L226-L229 PolarHBondContact O-N 2.95Å; L226-D230 WeakPolarHBondContact O-CB 3.36Å; L226-D230 PolarHBondContact O-N 3.01Å; L226-L305 HydrophobicContact CD2-CB 4.17Å; L226-C306 HydrophobicContact CD2-CB 4.06Å
227	W	97.8	Very high	93	Very high	43 Å²	43	36 Å²	36	16%	0.163	18%	0.18	C	C	.	.	H	α-helix	trans	-57.9	-40.5	173.9	173.1	82.4	0	0	0	112.5	V178 V206 A210 F213 E223 F224 R231	V178-W227 HydrophobicContact CG1-CH2 3.95Å; V178-W227 HydrophobicContact CG1-CZ3 4.39Å; V178-W227 HydrophobicContact CG2-CH2 4.5Å; V206-W227 HydrophobicContact CB-CH2 4.36Å; V206-W227 HydrophobicContact CB-CZ3 4.4Å; V206-W227 HydrophobicContact CG1-CH2 4.22Å; V206-W227 HydrophobicContact CG1-CZ3 4.02Å; V206-W227 HydrophobicContact CG2-CH2 4.13Å; V206-W227 HydrophobicContact CG2-CZ3 3.92Å; A210-W227 HydrophobicContact CB-CD2 4.19Å; A210-W227 HydrophobicContact CB-CH2 4.43Å; A210-W227 HydrophobicContact CB-CZ2 3.78Å; F213-W227 HydrophobicContact CD2-CE3 4.49Å; F213-W227 HydrophobicContact CE2-CB 4.16Å; F213-W227 HydrophobicContact CE2-CD2 4.01Å; F213-W227 HydrophobicContact CE2-CE3 4.1Å; F213-W227 HydrophobicContact CE2-CG 4.01Å; E223-W227 VanDerWaalsContact O-CB 3.32Å; E223-W227 WeakPolarHBondContact O-CB 3.39Å; E223-W227 PolarHBondContact O-N 3.11Å; E223-W227 VanDerWaalsContact O-N 3.12Å; F224-W227 HydrophobicContact CD2-CE3 4.07Å; F224-W227 HydrophobicContact CD2-CZ3 4.47Å; F224-W227 AromaticContact CE2-CE3 3.85Å; F224-W227 HydrophobicContact CE2-CE3 3.85Å; F224-W227 AromaticContact CE2-CZ3 3.83Å; F224-W227 HydrophobicContact CE2-CZ3 3.83Å; F224-W227 PolarHBondContact O-N 3.13Å; W227-R231 HydrophobicContact CH2-CG 4.31Å; W227-R231 HydrophobicContact CZ2-CB 4.32Å; W227-R231 HydrophobicContact CZ2-CG 4.09Å; W227-R231 VanDerWaalsContact O-CB 3.24Å; W227-R231 WeakPolarHBondContact O-CB 3.42Å; W227-R231 PolarHBondContact O-N 2.99Å
228	L	97.9	Very high	91.4	Very high	1 Å²	1	35 Å²	35	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-70.5	-41	-179.4	-176.1	60	0	0	0	111.7	V134 L138 V178 L182 F202 F224 L225 L226 R231 V232	V134-L228 HydrophobicContact CG1-CD2 4.48Å; L138-L228 HydrophobicContact CD1-CD2 3.68Å; L138-L228 HydrophobicContact CD1-CG 4.43Å; V178-L228 HydrophobicContact CG1-CD1 3.97Å; L182-L228 HydrophobicContact CD1-CD2 4.3Å; L182-L228 HydrophobicContact CD2-CD1 4.26Å; L182-L228 HydrophobicContact CD2-CD2 4.27Å; L182-L228 HydrophobicContact CD2-CG 4.35Å; F202-L228 HydrophobicContact CE2-CD1 4.42Å; F202-L228 HydrophobicContact CZ-CD1 4.03Å; F202-L228 HydrophobicContact CZ-CD2 4.2Å; F224-L228 HydrophobicContact CE1-CD2 3.92Å; F224-L228 HydrophobicContact CZ-CB 4.41Å; F224-L228 HydrophobicContact CZ-CD2 3.88Å; F224-L228 VanDerWaalsContact O-CB 3.28Å; F224-L228 WeakPolarHBondContact O-CB 3.49Å; F224-L228 PolarHBondContact O-N 3.46Å; L225-L228 PolarHBondContact O-N 3.04Å; L226-L228 VanDerWaalsContact C-N 3.29Å; L226-L228 PolarHBondContact O-N 2.9Å; L228-R231 PolarHBondContact O-N 2.84Å; L228-V232 WeakPolarHBondContact O-CG2 3.36Å; L228-V232 PolarHBondContact O-N 2.81Å
229	L	97	Very high	89.8	Confident	5 Å²	5	36.2 Å²	36.2	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-44.4	174.7	-71.2	173.3	0	0	0	111.7	L138 L225 L226 R231 V232 H233 V277 F281 L305 I640	L138-L229 HydrophobicContact CD2-CD2 4.23Å; L225-L229 HydrophobicContact CD1-CD1 3.94Å; L225-L229 HydrophobicContact CD1-CG 4.23Å; L225-L229 HydrophobicContact CG-CD1 4.26Å; L225-L229 WeakPolarHBondContact O-CG 3.37Å; L225-L229 PolarHBondContact O-N 3.38Å; L226-L229 PolarHBondContact O-N 2.95Å; L229-R231 VanDerWaalsContact C-N 3.29Å; L229-R231 PolarHBondContact O-N 3.49Å; L229-V232 PolarHBondContact O-N 2.87Å; L229-H233 WeakPolarHBondContact O-CB 3.42Å; L229-H233 PolarHBondContact O-N 3.19Å; L229-V277 HydrophobicContact CB-CG1 4.23Å; L229-V277 HydrophobicContact CD2-CG1 4.43Å; L229-F281 HydrophobicContact CD1-CD1 4.29Å; L229-F281 HydrophobicContact CD2-CD1 4.43Å; L229-F281 HydrophobicContact CD2-CD2 4.4Å; L229-F281 HydrophobicContact CD2-CE1 4.21Å; L229-F281 HydrophobicContact CD2-CE2 4.17Å; L229-F281 HydrophobicContact CD2-CZ 4.07Å; L229-L305 HydrophobicContact CB-CD1 4.24Å; L229-I640 HydrophobicContact CD1-CD1 3.67Å
230	D	94.6	Very high	87.7	Confident	84 Å²	84	40.7 Å²	40.7	45%	0.449	22%	0.217	S	C	.	.	H	α-helix	trans	-60.2	-39.4	172.9	-75.6	-12.5	0	0	0	111.2	L226 H233 E234	L226-D230 WeakPolarHBondContact O-CB 3.36Å; L226-D230 PolarHBondContact O-N 3.01Å; D230-H233 WeakPolarHBondContact O-CB 3.47Å; D230-H233 PolarHBondContact O-N 3.13Å; D230-E234 WeakPolarHBondContact O-CG 3.29Å; D230-E234 PolarHBondContact O-N 3.11Å
231	R	93.7	Very high	85	Confident	39 Å²	39	44.5 Å²	44.5	15%	0.147	24%	0.237	C	C	.	.	H	α-helix	trans	-68.2	-38.5	179.4	-166.6	72.1	-165.9	79.4	13.8	112.4	V178 W227 L228 L229 D235	V178-R231 HydrophobicContact CB-CG 3.79Å; V178-R231 HydrophobicContact CG1-CG 3.95Å; V178-R231 HydrophobicContact CG2-CG 3.84Å; W227-R231 HydrophobicContact CH2-CG 4.31Å; W227-R231 HydrophobicContact CZ2-CB 4.32Å; W227-R231 HydrophobicContact CZ2-CG 4.09Å; W227-R231 VanDerWaalsContact O-CB 3.24Å; W227-R231 WeakPolarHBondContact O-CB 3.42Å; W227-R231 PolarHBondContact O-N 2.99Å; L228-R231 PolarHBondContact O-N 2.84Å; L229-R231 VanDerWaalsContact C-N 3.29Å; L229-R231 PolarHBondContact O-N 3.49Å; R231-D235 IonicContact CZ-OD1 3.48Å; R231-D235 IonicContact CZ-OD2 2.66Å; R231-D235 IonicContact NH1-OD1 2.67Å; R231-D235 PolarHBondContact NH1-OD1 3Å; R231-D235 IonicContact NH1-OD2 2.72Å; R231-D235 IonicContact NH2-OD1 3.48Å; R231-D235 PolarHBondContact NH2-OD1 2.91Å; R231-D235 IonicContact NH2-OD2 3.07Å; R231-D235 WeakPolarHBondContact O-CB 3.39Å; R231-D235 PolarHBondContact O-N 2.87Å
232	V	93.3	Very high	82.4	Confident	6 Å²	6	51.4 Å²	51.4	4%	0.036	27%	0.274	C	S	.	.	H	α-helix	trans	-70.7	-34.8	173.8	174.1	0	0	0	0	111.4	T179 L182 L228 L229 A236 V277	T179-V232 HydrophobicContact CG2-CG1 4.23Å; T179-V232 HydrophobicContact CG2-CG2 4.4Å; L182-V232 HydrophobicContact CD2-CG2 3.99Å; L228-V232 WeakPolarHBondContact O-CG2 3.36Å; L228-V232 PolarHBondContact O-N 2.81Å; L229-V232 PolarHBondContact O-N 2.87Å; V232-A236 VanDerWaalsContact O-CB 3.29Å; V232-A236 WeakPolarHBondContact O-CB 3.35Å; V232-A236 PolarHBondContact O-N 3.07Å; V232-A236 VanDerWaalsContact O-N 3.14Å; V232-V277 HydrophobicContact CB-CG2 4.13Å; V232-V277 HydrophobicContact CG1-CG2 3.8Å
233	H	91.9	Very high	79.5	Confident	42 Å²	42	57.1 Å²	57.1	19%	0.194	30%	0.304	C	S	.	.	H	α-helix	trans	-59.3	-52.8	171.1	178.1	61.7	0	0	0	111.2	L229 D230 A236 N237 S275 V277	L229-H233 WeakPolarHBondContact O-CB 3.42Å; L229-H233 PolarHBondContact O-N 3.19Å; D230-H233 WeakPolarHBondContact O-CB 3.47Å; D230-H233 PolarHBondContact O-N 3.13Å; H233-A236 PolarHBondContact O-N 3.11Å; H233-N237 PolarHBondContact CD2-ND2 3.38Å; H233-N237 VanDerWaalsContact CD2-ND2 3.32Å; H233-N237 PolarHBondContact CE1-ND2 2.99Å; H233-N237 PolarHBondContact CE1-OD1 2.86Å; H233-N237 PolarHBondContact NE2-ND2 3.22Å; H233-N237 WeakPolarHBondContact O-CB 3.26Å; H233-N237 PolarHBondContact O-N 2.9Å; H233-N237 VanDerWaalsContact O-N 3.09Å; H233-N237 PolarHBondContact O-ND2 3.16Å; H233-S275 PolarHBondContact CE1-OG 2.97Å; H233-S275 PolarHBondContact ND1-OG 3.34Å; H233-V277 HydrophobicContact CB-CB 4.13Å; H233-V277 HydrophobicContact CB-CG1 4.38Å; H233-V277 HydrophobicContact CB-CG2 4.33Å
234	E	89.8	Confident	76.5	Confident	123 Å²	123	60.1 Å²	60.1	58%	0.575	32%	0.323	S	S	*	.	H	α-helix	trans	-68.7	-36.5	-178	-69.5	-67.2	92.8	0	0	113.2	D230 A236 N237	D230-E234 WeakPolarHBondContact O-CG 3.29Å; D230-E234 PolarHBondContact O-N 3.11Å; E234-A236 VanDerWaalsContact C-N 3.32Å; E234-N237 PolarHBondContact OE1-ND2 3.45Å; E234-N237 VanDerWaalsContact OE1-ND2 3.15Å
235	D	88.5	Confident	73.6	Confident	15 Å²	15	65.3 Å²	65.3	8%	0.08	36%	0.359	C	S	.	.	H	α-helix	trans	-65.8	-33.4	174	-86.4	-18.6	0	0	0	112.3	I157 G176 T179 R231	I157-D235 WeakPolarHBondContact CG1-O 3.41Å; G176-D235 WeakPolarHBondContact CA-OD1 3.33Å; G176-D235 PolarHBondContact N-OD1 3.03Å; T179-D235 PolarHBondContact N-OD2 2.94Å; T179-D235 WeakPolarHBondContact OG1-CB 3.11Å; T179-D235 PolarHBondContact OG1-OD2 3.01Å; R231-D235 IonicContact CZ-OD1 3.48Å; R231-D235 IonicContact CZ-OD2 2.66Å; R231-D235 IonicContact NH1-OD1 2.67Å; R231-D235 PolarHBondContact NH1-OD1 3Å; R231-D235 IonicContact NH1-OD2 2.72Å; R231-D235 IonicContact NH2-OD1 3.48Å; R231-D235 PolarHBondContact NH2-OD1 2.91Å; R231-D235 IonicContact NH2-OD2 3.07Å; R231-D235 WeakPolarHBondContact O-CB 3.39Å; R231-D235 PolarHBondContact O-N 2.87Å
236	A	82.4	Confident	70.4	Confident	4 Å²	4	70.6 Å²	70.6	3%	0.033	40%	0.396	C	S	.	.	H	α-helix	trans	-94.3	-1	-177.7	0	0	0	0	0	114.7	D156 V232 H233 E234 P238	D156-A236 HydrophobicContact CB-CB 4.44Å; V232-A236 VanDerWaalsContact O-CB 3.29Å; V232-A236 WeakPolarHBondContact O-CB 3.35Å; V232-A236 PolarHBondContact O-N 3.07Å; V232-A236 VanDerWaalsContact O-N 3.14Å; H233-A236 PolarHBondContact O-N 3.11Å; E234-A236 VanDerWaalsContact C-N 3.32Å; A236-P238 WeakPolarHBondContact O-CD 3.34Å
237	N	77.8	Confident	67.2	Low	43 Å²	43	77.7 Å²	77.7	23%	0.23	43%	0.425	C	S	.	.			trans	-83	117.5	179.7	-87.5	-26	0	0	0	111.2	H233 E234 T239	H233-N237 PolarHBondContact CD2-ND2 3.38Å; H233-N237 VanDerWaalsContact CD2-ND2 3.32Å; H233-N237 PolarHBondContact CE1-ND2 2.99Å; H233-N237 PolarHBondContact CE1-OD1 2.86Å; H233-N237 PolarHBondContact NE2-ND2 3.22Å; H233-N237 WeakPolarHBondContact O-CB 3.26Å; H233-N237 PolarHBondContact O-N 2.9Å; H233-N237 VanDerWaalsContact O-N 3.09Å; H233-N237 PolarHBondContact O-ND2 3.16Å; E234-N237 PolarHBondContact OE1-ND2 3.45Å; E234-N237 VanDerWaalsContact OE1-ND2 3.15Å; N237-T239 PolarHBondContact O-N 2.83Å; N237-T239 VanDerWaalsContact O-N 3.09Å
238	P	56.8	Low	64	Low	36 Å²	36	82.3 Å²	82.3	23%	0.234	46%	0.458	C	S	.	.	S	Bend	trans	-77.9	9.5	-175.4	31.9	-36.5	0	0	0	115.1	A236 R273	A236-P238 WeakPolarHBondContact O-CD 3.34Å; P238-R273 HydrophobicContact CG-CB 4.42Å
239	T	55.1	Low	60.9	Low	97 Å²	97	92.2 Å²	92.2	60%	0.595	50%	0.501	S	S	*	.			trans	-140.8	93.8	-169.3	54.7	0	0	0	0	114.5	N237 D241	N237-T239 PolarHBondContact O-N 2.83Å; N237-T239 VanDerWaalsContact O-N 3.09Å; T239-D241 PolarHBondContact O-N 3.48Å; T239-D241 VanDerWaalsContact O-N 3.11Å
240	P	48.7	Very low	57.5	Low	128 Å²	128	97 Å²	97	83%	0.831	54%	0.541	S	S	*	.			trans	-82.6	51.7	162.5	35.7	-34.9	0	0	0	110.7	N242	P240-N242 PolarHBondContact O-N 3.31Å
241	D	37.1	Very low	54.4	Low	122 Å²	122	98.3 Å²	98.3	65%	0.652	56%	0.557	S	S	*	*			trans	-78.9	90.4	-164.3	-155.3	-9.9	0	0	0	112.4	T239 N243	T239-D241 PolarHBondContact O-N 3.48Å; T239-D241 VanDerWaalsContact O-N 3.11Å; D241-N243 VanDerWaalsContact C-N 3.27Å; D241-N243 PolarHBondContact O-N 3.17Å; D241-N243 PolarHBondContact OD1-ND2 3.42Å
242	N	42.9	Very low	51.5	Low	146 Å²	146	101.5 Å²	101.5	78%	0.781	59%	0.586	S	S	*	*			trans	-76.9	66.2	-173.2	-177.4	31.5	0	0	0	112.6	P240	P240-N242 PolarHBondContact O-N 3.31Å
243	N	34.3	Very low	48.4	Very low	137 Å²	137	111.6 Å²	111.6	73%	0.733	63%	0.629	S	S	*	*			trans	-108.1	142.5	179.7	-102.1	-58	0	0	0	113.9	D241	D241-N243 VanDerWaalsContact C-N 3.27Å; D241-N243 PolarHBondContact O-N 3.17Å; D241-N243 PolarHBondContact OD1-ND2 3.42Å
244	N	34	Very low	45.6	Very low	141 Å²	141	114 Å²	114	75%	0.754	66%	0.656	S	S	*	*			trans	-89.9	161.4	-163.4	-86.2	-74.1	0	0	0	115
245	S	35.2	Very low	42.6	Very low	109 Å²	109	114.5 Å²	114.5	76%	0.762	67%	0.668	S	S	*	*			trans	-53.8	131	178	58.2	0	0	0	0	115.3
246	S	31.7	Very low	39.8	Very low	111 Å²	111	118.8 Å²	118.8	78%	0.776	70%	0.699	S	S	*	*			trans	-113.1	69.3	163.2	49.8	0	0	0	0	111.4	T248	S246-T248 PolarHBondContact O-N 3.09Å
247	K	31.6	Very low	37.3	Very low	200 Å²	200	123.2 Å²	123.2	87%	0.87	74%	0.736	S	S	*	*			trans	-73.9	88.7	169.6	-87.5	-171.7	175.3	179.2	0	110.8	K249	K247-K249 PolarHBondContact O-N 2.96Å
248	T	29.9	Very low	35.1	Very low	140 Å²	140	126.6 Å²	126.6	86%	0.859	76%	0.762	S	S	*	*			trans	-63	115.6	164.9	31.8	0	0	0	0	110.1	S246	S246-T248 PolarHBondContact O-N 3.09Å
249	K	31.8	Very low	33.7	Very low	208 Å²	208	133.2 Å²	133.2	90%	0.904	79%	0.79	S	S	*	*			trans	-79.6	130.4	167.6	-79.6	-177.9	174.1	179.4	0	109.1	K247	K247-K249 PolarHBondContact O-N 2.96Å
250	A	27.6	Very low	32.7	Very low	105 Å²	105	135.3 Å²	135.3	87%	0.868	80%	0.798	S	S	*	*			trans	-116.7	113.5	167.6	0	0	0	0	0	110.4
251	S	29.2	Very low	31.8	Very low	113 Å²	113	135.1 Å²	135.1	79%	0.79	80%	0.797	S	S	*	*			trans	-169.2	133.4	169.6	-163.5	0	0	0	0	106.6
252	S	32.3	Very low	31.5	Very low	106 Å²	106	134.5 Å²	134.5	74%	0.741	80%	0.802	S	S	*	*			cis	-172.1	133.3	-6.4	37.9	0	0	0	0	109.6
253	K	26.9	Very low	30.7	Very low	217 Å²	217	132.5 Å²	132.5	94%	0.943	80%	0.799	S	S	*	*			trans	-156.9	156.5	153.9	-127.8	176.4	-178.8	-177.6	0	109
254	A	33.9	Very low	30.5	Very low	93 Å²	93	131.7 Å²	131.7	77%	0.769	79%	0.794	S	S	*	*			trans	-129.5	136.4	-171.5	0	0	0	0	0	111.6
255	T	27.2	Very low	30.3	Very low	134 Å²	134	131.3 Å²	131.3	82%	0.822	80%	0.8	S	S	*	*			trans	-150.2	140	159.1	-24.6	0	0	0	0	109.7
256	S	28.6	Very low	30	Very low	104 Å²	104	130.5 Å²	130.5	73%	0.727	79%	0.794	S	S	*	*			trans	40.5	116.7	150.7	58.2	0	0	0	0	122.1
257	A	30	Very low	30.3	Very low	98 Å²	98	131.7 Å²	131.7	81%	0.81	80%	0.797	S	S	*	*				73.6	122.4	129.7	0	0	0	0	0	122.3
258	S	31.7	Very low	30.5	Very low	113 Å²	113	131 Å²	131	79%	0.79	80%	0.797	S	S	*	*			trans	74.4	166.5	149.7	-147.9	0	0	0	0	120.3
259	E	28.7	Very low	30.4	Very low	175 Å²	175	133.1 Å²	133.1	82%	0.818	80%	0.797	S	S	*	*			trans	74.7	156.1	165.9	-48.2	-153.7	152.3	0	0	119.9
260	N	33	Very low	30.4	Very low	141 Å²	141	128.9 Å²	128.9	75%	0.754	79%	0.791	S	S	*	*			trans	-96.3	136.4	-160.8	-61.8	-71	0	0	0	112.7	S262	N260-S262 PolarHBondContact O-N 2.95Å
261	P	30.7	Very low	30.9	Very low	124 Å²	124	134.6 Å²	134.6	81%	0.805	79%	0.79	S	S	*	*			trans	-80.6	64.1	167.1	34.7	-34.6	0	0	0	111.3	S263	P261-S263 PolarHBondContact O-N 2.87Å
262	S	30.5	Very low	31.5	Very low	110 Å²	110	131.7 Å²	131.7	77%	0.769	78%	0.777	S	S	*	*			trans	-82.3	81.7	172	-67.4	0	0	0	0	110.7	N260	N260-S262 PolarHBondContact O-N 2.95Å
263	S	26.9	Very low	32.7	Very low	103 Å²	103	134 Å²	134	72%	0.72	77%	0.77	S	S	*	*			trans	-135.8	100	174.4	50.2	0	0	0	0	112.5	P261	P261-S263 PolarHBondContact O-N 2.87Å
264	L	28.9	Very low	34.9	Very low	120 Å²	120	128.7 Å²	128.7	63%	0.628	75%	0.748	S	S	*	*			trans	-67.2	146.5	162.5	-74.2	84	0	0	0	109.4	S266 M680	L264-S266 VanDerWaalsContact C-N 3.28Å; L264-S266 PolarHBondContact O-N 3.43Å; L264-M680 HydrophobicContact CD1-CE 4.33Å; L264-M680 HydrophobicContact CD2-CE 3.74Å
265	P	29.9	Very low	37.5	Very low	134 Å²	134	124.4 Å²	124.4	87%	0.87	71%	0.712	S	S	*	*			trans	-67.1	94.1	155	30	-30.9	0	0	0	107.6
266	S	28.4	Very low	40.6	Very low	92 Å²	92	118.8 Å²	118.8	64%	0.643	68%	0.677	S	S	*	*			trans	-61.9	140.4	-175.2	-171.8	0	0	0	0	111.8	L264 Q268	L264-S266 VanDerWaalsContact C-N 3.28Å; L264-S266 PolarHBondContact O-N 3.43Å; S266-Q268 VanDerWaalsContact C-N 3.31Å; S266-Q268 PolarHBondContact O-N 3.11Å
267	T	39.6	Very low	43.8	Very low	135 Å²	135	114 Å²	114	83%	0.828	64%	0.643	S	S	*	*	S	Bend	trans	-56.4	90.7	159.3	40.1	0	0	0	0	110.3
268	Q	34.1	Very low	46.7	Very low	186 Å²	186	112.9 Å²	112.9	87%	0.869	62%	0.62	S	S	*	*			trans	-177.1	52.9	159.3	-104.5	168.8	34.7	0	0	111.8	S266	S266-Q268 VanDerWaalsContact C-N 3.31Å; S266-Q268 PolarHBondContact O-N 3.11Å
269	Q	29.5	Very low	49.7	Very low	185 Å²	185	113.2 Å²	113.2	86%	0.864	61%	0.609	S	S	*	*	S	Bend	trans	-74.2	143.9	148.4	-75.2	-172.3	-65.2	0	0	108.1
270	P	32	Very low	52.9	Low	119 Å²	119	106 Å²	106	77%	0.773	58%	0.575	S	S	*	*			trans	-58.5	149.6	169.9	26.9	-34.3	0	0	0	109.6	G272	P270-G272 PolarHBondContact O-N 2.92Å
271	R	37.8	Very low	55.9	Low	225 Å²	225	99.3 Å²	99.3	85%	0.849	54%	0.539	S	S	*	.			trans	-63.6	75.7	-179	-73.7	-175.7	173.6	-175.1	-2.4	111.9	R273	R271-R273 PolarHBondContact O-N 3.26Å
272	G	42.1	Very low	59	Low	51 Å²	51	96.3 Å²	96.3	53%	0.526	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-64.5	116.8	164.2	0	0	0	0	0	107.9	P270 H274	P270-G272 PolarHBondContact O-N 2.92Å; G272-H274 PolarHBondContact O-CE1 2.71Å; G272-H274 VanDerWaalsContact O-CE1 3.26Å; G272-H274 PolarHBondContact O-N 3.31Å; G272-H274 VanDerWaalsContact O-N 3.09Å; G272-H274 PolarHBondContact O-ND1 2.7Å
273	R	57.2	Low	62.1	Low	155 Å²	155	91.2 Å²	91.2	59%	0.585	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-50.7	118.4	-172.3	-66.7	-175	-177.2	174.1	3.6	110.5	S159 P238 R271	S159-R273 VanDerWaalsContact CB-NH1 3.33Å; S159-R273 PolarHBondContact OG-NH1 3.02Å; P238-R273 HydrophobicContact CG-CB 4.42Å; R271-R273 PolarHBondContact O-N 3.26Å
274	H	71.9	Confident	65.3	Low	106 Å²	106	90 Å²	90	49%	0.491	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-87.1	139.2	171.2	-65.8	2.8	0	0	0	107.5	G272 K278	G272-H274 PolarHBondContact O-CE1 2.71Å; G272-H274 VanDerWaalsContact O-CE1 3.26Å; G272-H274 PolarHBondContact O-N 3.31Å; G272-H274 VanDerWaalsContact O-N 3.09Å; G272-H274 PolarHBondContact O-ND1 2.7Å; H274-K278 HydrophobicContact CB-CB 4.41Å; H274-K278 HydrophobicContact CB-CD 4.1Å; H274-K278 HydrophobicContact CB-CG 4.1Å; H274-K278 PolarHBondContact CE1-NZ 3.31Å; H274-K278 PolarHBondContact NE2-NZ 2.88Å
275	S	89.4	Confident	68.4	Low	2 Å²	2	85.4 Å²	85.4	1%	0.014	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-55.4	153.9	169.8	68.9	0	0	0	0	110.9	H233 V277 K278 E279	H233-S275 PolarHBondContact CE1-OG 2.97Å; H233-S275 PolarHBondContact ND1-OG 3.34Å; S275-V277 PolarHBondContact O-N 2.98Å; S275-V277 VanDerWaalsContact O-N 3.1Å; S275-K278 PolarHBondContact O-N 2.8Å; S275-K278 VanDerWaalsContact O-N 3.13Å; S275-K278 WeakPolarHBondContact OG-CB 3.08Å; S275-K278 PolarHBondContact OG-N 2.88Å; S275-K278 VanDerWaalsContact OG-N 3.14Å; S275-E279 PolarHBondContact O-N 3.46Å; S275-E279 VanDerWaalsContact O-N 3.1Å
276	F	92.9	Very high	71.4	Confident	17 Å²	17	81.5 Å²	81.5	8%	0.075	40%	0.404	C	S	.	.	H	α-helix	trans	-46.8	-40.6	169.9	-176.1	-88.9	0	0	0	114.2	L143 L144 Y147 E279 H280 F281	L143-F276 VanDerWaalsContact C-CZ 3.45Å; L143-F276 HydrophobicContact CB-CE2 4.27Å; L143-F276 HydrophobicContact CB-CZ 3.74Å; L143-F276 WeakPolarHBondContact O-CZ 2.97Å; L144-F276 HydrophobicContact CB-CE1 3.84Å; L144-F276 HydrophobicContact CB-CZ 4.17Å; L144-F276 HydrophobicContact CD1-CD1 3.87Å; L144-F276 HydrophobicContact CD1-CE1 3.64Å; L144-F276 HydrophobicContact CG-CE1 4.33Å; Y147-F276 HydrophobicContact CD1-CB 4.09Å; Y147-F276 HydrophobicContact CD1-CD1 4.19Å; Y147-F276 HydrophobicContact CD1-CD2 4.02Å; Y147-F276 AromaticContact CD1-CG 3.82Å; Y147-F276 HydrophobicContact CD1-CG 3.82Å; Y147-F276 HydrophobicContact CD2-CB 4.41Å; Y147-F276 AromaticContact CD2-CD2 3.78Å; Y147-F276 HydrophobicContact CD2-CD2 3.78Å; Y147-F276 HydrophobicContact CD2-CE2 4.44Å; Y147-F276 HydrophobicContact CD2-CG 4.26Å; Y147-F276 HydrophobicContact CE1-CB 3.66Å; Y147-F276 HydrophobicContact CE1-CD1 4.45Å; Y147-F276 HydrophobicContact CE1-CD2 4.4Å; Y147-F276 AromaticContact CE1-CG 3.92Å; Y147-F276 HydrophobicContact CE1-CG 3.92Å; Y147-F276 HydrophobicContact CE2-CB 4.04Å; Y147-F276 HydrophobicContact CE2-CD2 4.21Å; Y147-F276 HydrophobicContact CE2-CG 4.38Å; Y147-F276 HydrophobicContact CG-CB 4.44Å; Y147-F276 AromaticContact CG-CD2 3.68Å; Y147-F276 HydrophobicContact CG-CD2 3.68Å; Y147-F276 HydrophobicContact CG-CE2 4.09Å; Y147-F276 AromaticContact CG-CG 3.98Å; Y147-F276 HydrophobicContact CG-CG 3.98Å; F276-E279 PolarHBondContact O-N 3.21Å; F276-H280 AromaticContact CD2-CE1 3.63Å; F276-H280 AromaticContact CD2-ND1 3.48Å; F276-H280 WeakPolarHBondContact CD2-ND1 3.07Å; F276-H280 HydrophobicContact CE1-CB 4.41Å; F276-H280 AromaticContact CE2-CE1 3.46Å; F276-H280 VanDerWaalsContact CE2-CE1 3.46Å; F276-H280 WeakPolarHBondContact CE2-CE1 3.17Å; F276-H280 AromaticContact CE2-ND1 3.39Å; F276-H280 WeakPolarHBondContact CE2-ND1 3.42Å; F276-H280 AromaticContact CG-ND1 3.83Å; F276-H280 HydrophobicContact CZ-CB 4.45Å; F276-H280 AromaticContact CZ-CG 3.98Å; F276-H280 AromaticContact CZ-ND1 3.65Å; F276-H280 PolarHBondContact O-N 2.91Å; F276-H280 PolarHBondContact O-ND1 2.76Å; F276-F281 HydrophobicContact CD1-CE2 4.47Å; F276-F281 HydrophobicContact CE1-CE2 4.01Å
277	V	94.4	Very high	74.4	Confident	2 Å²	2	77.8 Å²	77.8	1%	0.012	38%	0.378	C	S	.	.	H	α-helix	trans	-64.2	-49.3	-178.8	-177.7	0	0	0	0	111.7	L229 V232 H233 S275 E279 H280 F281 Q282 L305	L229-V277 HydrophobicContact CB-CG1 4.23Å; L229-V277 HydrophobicContact CD2-CG1 4.43Å; V232-V277 HydrophobicContact CB-CG2 4.13Å; V232-V277 HydrophobicContact CG1-CG2 3.8Å; H233-V277 HydrophobicContact CB-CB 4.13Å; H233-V277 HydrophobicContact CB-CG1 4.38Å; H233-V277 HydrophobicContact CB-CG2 4.33Å; S275-V277 PolarHBondContact O-N 2.98Å; S275-V277 VanDerWaalsContact O-N 3.1Å; V277-E279 VanDerWaalsContact C-N 3.27Å; V277-E279 PolarHBondContact O-N 3.49Å; V277-H280 PolarHBondContact O-N 2.74Å; V277-F281 HydrophobicContact CG1-CB 4.37Å; V277-F281 HydrophobicContact CG1-CD2 4.36Å; V277-F281 WeakPolarHBondContact O-CB 3.2Å; V277-F281 PolarHBondContact O-N 2.78Å; V277-Q282 PolarHBondContact O-N 3.22Å; V277-L305 HydrophobicContact CG1-CD2 4.08Å
278	K	92.1	Very high	76.9	Confident	75 Å²	75	71.8 Å²	71.8	33%	0.326	34%	0.342	S	S	.	.	H	α-helix	trans	-63.5	-29.3	176	171.8	168.2	-178.6	-161.6	0	113.5	H274 S275 Q282	H274-K278 HydrophobicContact CB-CB 4.41Å; H274-K278 HydrophobicContact CB-CD 4.1Å; H274-K278 HydrophobicContact CB-CG 4.1Å; H274-K278 PolarHBondContact CE1-NZ 3.31Å; H274-K278 PolarHBondContact NE2-NZ 2.88Å; S275-K278 PolarHBondContact O-N 2.8Å; S275-K278 VanDerWaalsContact O-N 3.13Å; S275-K278 WeakPolarHBondContact OG-CB 3.08Å; S275-K278 PolarHBondContact OG-N 2.88Å; S275-K278 VanDerWaalsContact OG-N 3.14Å; K278-Q282 VanDerWaalsContact CG-OE1 3.26Å; K278-Q282 WeakPolarHBondContact O-CB 3.49Å
279	E	93.4	Very high	79.7	Confident	121 Å²	121	64.5 Å²	64.5	57%	0.565	31%	0.308	S	S	*	.	H	α-helix	trans	-75.8	-46	177.5	-173.5	166.2	-132.5	0	0	111.6	S275 F276 V277	S275-E279 PolarHBondContact O-N 3.46Å; S275-E279 VanDerWaalsContact O-N 3.1Å; F276-E279 PolarHBondContact O-N 3.21Å; V277-E279 VanDerWaalsContact C-N 3.27Å; V277-E279 PolarHBondContact O-N 3.49Å
280	H	95.8	Very high	82.9	Confident	23 Å²	23	57.2 Å²	57.2	11%	0.106	28%	0.277	C	S	.	.	H	α-helix	trans	-101.5	-31.4	-168.8	-60.5	89.9	0	0	0	115.3	F276 V277 D637 I638	F276-H280 AromaticContact CD2-CE1 3.63Å; F276-H280 AromaticContact CD2-ND1 3.48Å; F276-H280 WeakPolarHBondContact CD2-ND1 3.07Å; F276-H280 HydrophobicContact CE1-CB 4.41Å; F276-H280 AromaticContact CE2-CE1 3.46Å; F276-H280 VanDerWaalsContact CE2-CE1 3.46Å; F276-H280 WeakPolarHBondContact CE2-CE1 3.17Å; F276-H280 AromaticContact CE2-ND1 3.39Å; F276-H280 WeakPolarHBondContact CE2-ND1 3.42Å; F276-H280 AromaticContact CG-ND1 3.83Å; F276-H280 HydrophobicContact CZ-CB 4.45Å; F276-H280 AromaticContact CZ-CG 3.98Å; F276-H280 AromaticContact CZ-ND1 3.65Å; F276-H280 PolarHBondContact O-N 2.91Å; F276-H280 PolarHBondContact O-ND1 2.76Å; V277-H280 PolarHBondContact O-N 2.74Å; H280-D637 HydrophobicContact CB-CB 4.32Å; H280-D637 PolarHBondContact O-N 3.14Å; H280-I638 HydrophobicContact CB-CG1 4.47Å; H280-I638 PolarHBondContact O-N 3.41Å
281	F	97	Very high	85.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-20.1	-176.1	-66.2	-96.3	0	0	0	113.6	L138 T141 L144 L229 F276 V277 L305 P636 I638 I640	L138-F281 HydrophobicContact CD2-CE1 4.5Å; L138-F281 HydrophobicContact CD2-CZ 4.36Å; T141-F281 HydrophobicContact CG2-CZ 4.15Å; L144-F281 HydrophobicContact CD2-CZ 4.29Å; L229-F281 HydrophobicContact CD1-CD1 4.29Å; L229-F281 HydrophobicContact CD2-CD1 4.43Å; L229-F281 HydrophobicContact CD2-CD2 4.4Å; L229-F281 HydrophobicContact CD2-CE1 4.21Å; L229-F281 HydrophobicContact CD2-CE2 4.17Å; L229-F281 HydrophobicContact CD2-CZ 4.07Å; F276-F281 HydrophobicContact CD1-CE2 4.47Å; F276-F281 HydrophobicContact CE1-CE2 4.01Å; V277-F281 HydrophobicContact CG1-CB 4.37Å; V277-F281 HydrophobicContact CG1-CD2 4.36Å; V277-F281 WeakPolarHBondContact O-CB 3.2Å; V277-F281 PolarHBondContact O-N 2.78Å; F281-L305 HydrophobicContact CB-CD2 4Å; F281-P636 WeakPolarHBondContact O-CB 3.49Å; F281-I638 HydrophobicContact CD1-CB 3.81Å; F281-I638 HydrophobicContact CD1-CG2 3.71Å; F281-I638 HydrophobicContact CE1-CB 3.83Å; F281-I638 HydrophobicContact CE1-CG1 4.38Å; F281-I638 HydrophobicContact CE1-CG2 3.4Å; F281-I638 HydrophobicContact CG-CB 4.31Å; F281-I638 HydrophobicContact CZ-CB 4.32Å; F281-I638 HydrophobicContact CZ-CG1 4.39Å; F281-I638 HydrophobicContact CZ-CG2 4.13Å; F281-I640 HydrophobicContact CD1-CD1 3.67Å; F281-I640 HydrophobicContact CD1-CG1 4.17Å; F281-I640 HydrophobicContact CE1-CD1 3.93Å; F281-I640 HydrophobicContact CE1-CG1 4.45Å
282	Q	96	Very high	88.5	Confident	62 Å²	62	44.2 Å²	44.2	29%	0.29	22%	0.222	S	C	.	.			trans	-91.2	126.4	-172.2	-169.4	179.2	-16.2	0	0	112.7	V277 K278 P303 F304 L305	V277-Q282 PolarHBondContact O-N 3.22Å; K278-Q282 VanDerWaalsContact CG-OE1 3.26Å; K278-Q282 WeakPolarHBondContact O-CB 3.49Å; Q282-P303 HydrophobicContact CG-CB 4.29Å; Q282-F304 WeakPolarHBondContact CA-O 3.46Å; Q282-L305 HydrophobicContact CB-CD2 3.85Å; Q282-L305 HydrophobicContact CG-CD2 4.33Å
283	A	95.1	Very high	91	Very high	2 Å²	2	48.2 Å²	48.2	2%	0.017	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	-174.1	171.4	0	0	0	0	0	111.2	P303 F304 P636	A283-P303 CarbonylContact O-C 3.55Å; A283-P303 VanDerWaalsContact O-CA 3.27Å; A283-P303 WeakPolarHBondContact O-CA 3.38Å; A283-F304 HydrophobicContact CB-CD1 4.36Å; A283-F304 HydrophobicContact CB-CE1 3.75Å; A283-F304 HydrophobicContact CB-CE2 3.91Å; A283-F304 HydrophobicContact CB-CZ 3.5Å; A283-F304 PolarHBondContact N-O 2.92Å; A283-F304 PolarHBondContact O-N 3.18Å; A283-P636 HydrophobicContact CB-CB 4.01Å; A283-P636 HydrophobicContact CB-CG 4.13Å
284	Q	94.4	Very high	92.7	Very high	77 Å²	77	42.8 Å²	42.8	36%	0.36	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	135.7	-177.4	-68.6	-178.7	-15.4	0	0	111.9	F304 W633 T634	Q284-F304 VanDerWaalsContact C-CE1 3.48Å; Q284-W633 HydrophobicContact CB-CB 4.3Å; Q284-W633 WeakPolarHBondContact O-CA 3.25Å; Q284-W633 WeakPolarHBondContact O-CB 3.29Å; Q284-W633 PolarHBondContact O-N 2.96Å; Q284-T634 PolarHBondContact N-OG1 2.82Å; Q284-T634 PolarHBondContact O-N 2.93Å
285	Y	93.3	Very high	93.8	Very high	25 Å²	25	44.3 Å²	44.3	10%	0.098	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	160.9	160.3	-63.6	-58.2	0	0	0	110.7	F301 D302 F304 C306 I307 Y603 M630 S631 L632	Y285-F301 VanDerWaalsContact O-CA 3.29Å; Y285-F301 WeakPolarHBondContact O-CA 3.46Å; Y285-D302 PolarHBondContact N-O 2.87Å; Y285-D302 PolarHBondContact O-N 3.14Å; Y285-F304 AromaticContact CD1-CD1 3.7Å; Y285-F304 HydrophobicContact CD1-CD1 3.7Å; Y285-F304 AromaticContact CD1-CE1 3.73Å; Y285-F304 HydrophobicContact CD1-CE1 3.73Å; Y285-F304 HydrophobicContact CD2-CB 4.05Å; Y285-F304 AromaticContact CD2-CD1 3.63Å; Y285-F304 HydrophobicContact CD2-CD1 3.63Å; Y285-F304 HydrophobicContact CD2-CE1 4.47Å; Y285-F304 HydrophobicContact CD2-CG 4.2Å; Y285-F304 AromaticContact CE1-CD1 3.56Å; Y285-F304 HydrophobicContact CE1-CD1 3.56Å; Y285-F304 AromaticContact CE1-CE1 3.65Å; Y285-F304 HydrophobicContact CE1-CE1 3.65Å; Y285-F304 HydrophobicContact CE1-CG 4.08Å; Y285-F304 HydrophobicContact CE1-CZ 4.26Å; Y285-F304 HydrophobicContact CE2-CB 3.39Å; Y285-F304 AromaticContact CE2-CD1 3.52Å; Y285-F304 HydrophobicContact CE2-CD1 3.52Å; Y285-F304 HydrophobicContact CE2-CE1 4.44Å; Y285-F304 AromaticContact CE2-CG 3.65Å; Y285-F304 HydrophobicContact CE2-CG 3.65Å; Y285-F304 AromaticContact CG-CD1 3.71Å; Y285-F304 HydrophobicContact CG-CD1 3.71Å; Y285-F304 HydrophobicContact CG-CE1 4.12Å; Y285-F304 AromaticContact CZ-CD1 3.45Å; Y285-F304 VanDerWaalsContact CZ-CD1 3.45Å; Y285-F304 AromaticContact CZ-CG 3.55Å; Y285-C306 PolarHBondContact OH-O 3.17Å; Y285-I307 HydrophobicContact CE1-CG1 4.4Å; Y285-I307 WeakPolarHBondContact OH-CA 3.49Å; Y285-Y603 HydrophobicContact CD1-CE1 4.44Å; Y285-Y603 AromaticContact CE1-CE1 3.78Å; Y285-Y603 HydrophobicContact CE1-CE1 3.78Å; Y285-Y603 WeakPolarHBondContact CE1-OH 3.32Å; Y285-Y603 PolarHBondContact OH-OH 3.02Å; Y285-M630 HydrophobicContact CD1-CG 4.36Å; Y285-M630 HydrophobicContact CD1-SD 4.31Å; Y285-M630 HydrophobicContact CG-SD 4Å; Y285-S631 CarbonylContact C-O 3.57Å; Y285-S631 WeakPolarHBondContact CA-O 3.46Å; Y285-L632 HydrophobicContact CD1-CD2 3.75Å; Y285-L632 HydrophobicContact CE1-CD2 3.64Å
286	R	92.4	Very high	94	Very high	51 Å²	51	49.7 Å²	49.7	19%	0.192	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	114.3	156.9	171.7	-173.6	168.5	-175	-2.9	108.7	S288 N299 T300 F301 S631 W633	R286-S288 PolarHBondContact NE-OG 2.75Å; R286-N299 VanDerWaalsContact CZ-OD1 3.3Å; R286-N299 PolarHBondContact NE-OD1 2.97Å; R286-N299 PolarHBondContact NH2-OD1 3.04Å; R286-T300 WeakPolarHBondContact CA-O 3.47Å; R286-F301 HydrophobicContact CB-CD1 3.92Å; R286-F301 HydrophobicContact CB-CE1 3.78Å; R286-F301 HydrophobicContact CG-CD1 4.26Å; R286-F301 HydrophobicContact CG-CE1 3.75Å; R286-F301 HydrophobicContact CG-CZ 4.28Å; R286-S631 PolarHBondContact N-O 3.03Å; R286-S631 PolarHBondContact O-N 2.91Å; R286-S631 PolarHBondContact O-OG 2.71Å; R286-W633 HydrophobicContact CB-CB 4.01Å; R286-W633 HydrophobicContact CB-CE3 4.47Å
287	S	91.6	Very high	94	Very high	15 Å²	15	53.1 Å²	53.1	11%	0.105	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.7	167.9	-172.6	0	0	0	0	109.2	N299 T300	S287-N299 CarbonylContact O-C 3.57Å; S287-N299 VanDerWaalsContact O-CA 3.3Å; S287-N299 WeakPolarHBondContact O-CA 3.33Å; S287-T300 WeakPolarHBondContact CB-OG1 3.32Å; S287-T300 PolarHBondContact N-O 2.62Å; S287-T300 PolarHBondContact O-N 3.05Å
288	S	91.7	Very high	93.8	Very high	8 Å²	8	55.4 Å²	55.4	6%	0.056	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.8	-177.3	-50.4	0	0	0	0	110	R286 N299 V628 K629	R286-S288 PolarHBondContact NE-OG 2.75Å; S288-N299 PolarHBondContact OG-OD1 2.86Å; S288-N299 VanDerWaalsContact OG-OD1 3.1Å; S288-V628 CarbonylContact O-C 3.58Å; S288-V628 WeakPolarHBondContact O-CA 3.39Å; S288-K629 PolarHBondContact N-O 2.84Å; S288-K629 PolarHBondContact O-N 3.34Å
289	L	94.1	Very high	93.8	Very high	33 Å²	33	54.6 Å²	54.6	17%	0.173	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	110.4	-178.4	-78.3	167.2	0	0	0	111.1	Q297 S298 L609 W615 M627 V628	L289-Q297 CarbonylContact O-C 3.54Å; L289-Q297 VanDerWaalsContact O-CA 3.3Å; L289-Q297 WeakPolarHBondContact O-CA 3.32Å; L289-S298 PolarHBondContact N-O 2.72Å; L289-S298 PolarHBondContact O-N 3.11Å; L289-L609 HydrophobicContact CD2-CD1 3.56Å; L289-W615 HydrophobicContact CB-CH2 4.1Å; L289-W615 HydrophobicContact CB-CZ2 3.83Å; L289-W615 HydrophobicContact CD2-CD2 4.32Å; L289-W615 HydrophobicContact CD2-CE3 4.08Å; L289-W615 HydrophobicContact CD2-CH2 4.16Å; L289-W615 HydrophobicContact CD2-CZ2 4.49Å; L289-W615 HydrophobicContact CD2-CZ3 3.95Å; L289-M627 CarbonylContact C-O 3.55Å; L289-M627 WeakPolarHBondContact CA-O 3.48Å; L289-V628 HydrophobicContact CD2-CB 3.64Å; L289-V628 HydrophobicContact CD2-CG2 3.68Å; L289-V628 HydrophobicContact CG-CG2 4.29Å
290	T	95.4	Very high	93.7	Very high	32 Å²	32	51.7 Å²	51.7	20%	0.196	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	108	-173.8	-53.5	0	0	0	0	111.1	Q297 W615 M627	T290-Q297 PolarHBondContact OG1-NE2 2.97Å; T290-W615 WeakPolarHBondContact O-CH2 3.47Å; T290-M627 PolarHBondContact N-O 3.31Å; T290-M627 PolarHBondContact O-N 3.49Å
291	C	95	Very high	93.6	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.007	28%	0.283	C	S	.	.			trans	-66.7	127.8	-177.7	178.8	0	0	0	0	111.6	C294 L295 K296 W615 C617	C291-C294 PolarHBondContact SG-SG 2.94Å; C291-L295 WeakPolarHBondContact O-CA 3.27Å; C291-L295 PolarHBondContact O-N 3.39Å; C291-K296 PolarHBondContact N-O 3.25Å; C291-K296 VanDerWaalsContact N-O 3.13Å; C291-W615 HydrophobicContact CB-CZ2 4.12Å; C291-C617 HydrophobicContact CB-CB 4.46Å
292	P	94.3	Very high	93.4	Very high	71 Å²	71	58.7 Å²	58.7	46%	0.461	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-32.9	-174.2	30.4	-32.1	0	0	0	112	Q624	P292-Q624 HydrophobicContact CG-CB 4.48Å
293	H	93	Very high	93.3	Very high	134 Å²	134	59.6 Å²	59.6	62%	0.62	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-33.2	-178.9	-174.6	-40.7	0	0	0	113.5
294	C	94.4	Very high	93.3	Very high	42 Å²	42	60.1 Å²	60.1	28%	0.284	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124	3.1	-175.3	73.2	0	0	0	0	115.2	C291 K296 C620	C291-C294 PolarHBondContact SG-SG 2.94Å; C294-K296 PolarHBondContact O-N 3.1Å; C294-C620 PolarHBondContact SG-SG 3.39Å
295	L	94.3	Very high	93.4	Very high	138 Å²	138	57.7 Å²	57.7	72%	0.723	31%	0.305	S	S	*	.			trans	56.6	4.4	177.9	-51.8	-179	0	0	0	115.7	C291 Q297	C291-L295 WeakPolarHBondContact O-CA 3.27Å; C291-L295 PolarHBondContact O-N 3.39Å; L295-Q297 PolarHBondContact O-N 2.69Å
296	K	93.3	Very high	93.6	Very high	115 Å²	115	57.2 Å²	57.2	50%	0.5	30%	0.304	S	S	.	.			trans	-74.1	127	176.7	-67.6	-175.3	177.8	-171.7	0	110.3	C291 C294 H619	C291-K296 PolarHBondContact N-O 3.25Å; C291-K296 VanDerWaalsContact N-O 3.13Å; C294-K296 PolarHBondContact O-N 3.1Å; K296-H619 HydrophobicContact CD-CB 4.14Å; K296-H619 WeakPolarHBondContact CD-CD2 3.47Å
297	Q	92.2	Very high	93.8	Very high	89 Å²	89	54.8 Å²	54.8	42%	0.416	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	134.5	174.9	-173.5	176.8	85.4	0	0	110.8	L289 T290 L295 N299	L289-Q297 CarbonylContact O-C 3.54Å; L289-Q297 VanDerWaalsContact O-CA 3.3Å; L289-Q297 WeakPolarHBondContact O-CA 3.32Å; T290-Q297 PolarHBondContact OG1-NE2 2.97Å; L295-Q297 PolarHBondContact O-N 2.69Å; Q297-N299 PolarHBondContact OE1-ND2 2.71Å; Q297-N299 VanDerWaalsContact OE1-ND2 3.13Å; Q297-N299 PolarHBondContact OE1-OD1 2.83Å
298	S	91	Very high	94.1	Very high	49 Å²	49	55 Å²	55	34%	0.343	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.5	166.2	-173.2	0	0	0	0	108.5	L289	L289-S298 PolarHBondContact N-O 2.72Å; L289-S298 PolarHBondContact O-N 3.11Å
299	N	91.5	Very high	94.3	Very high	59 Å²	59	54.6 Å²	54.6	32%	0.316	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	134	177.8	-64.4	-73.3	0	0	0	109.8	R286 S287 S288 Q297 F301	R286-N299 VanDerWaalsContact CZ-OD1 3.3Å; R286-N299 PolarHBondContact NE-OD1 2.97Å; R286-N299 PolarHBondContact NH2-OD1 3.04Å; S287-N299 CarbonylContact O-C 3.57Å; S287-N299 VanDerWaalsContact O-CA 3.3Å; S287-N299 WeakPolarHBondContact O-CA 3.33Å; S288-N299 PolarHBondContact OG-OD1 2.86Å; S288-N299 VanDerWaalsContact OG-OD1 3.1Å; Q297-N299 PolarHBondContact OE1-ND2 2.71Å; Q297-N299 VanDerWaalsContact OE1-ND2 3.13Å; Q297-N299 PolarHBondContact OE1-OD1 2.83Å; N299-F301 HydrophobicContact CB-CE2 4.22Å; N299-F301 HydrophobicContact CB-CZ 4.33Å
300	T	92.2	Very high	94.3	Very high	60 Å²	60	55.2 Å²	55.2	37%	0.368	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	151.9	165.4	67.6	0	0	0	0	110	R286 S287 D302	R286-T300 WeakPolarHBondContact CA-O 3.47Å; S287-T300 WeakPolarHBondContact CB-OG1 3.32Å; S287-T300 PolarHBondContact N-O 2.62Å; S287-T300 PolarHBondContact O-N 3.05Å; T300-D302 VanDerWaalsContact CB-OD2 3.29Å; T300-D302 WeakPolarHBondContact CB-OD2 3.48Å; T300-D302 PolarHBondContact OG1-OD2 3.05Å
301	F	93.4	Very high	94.1	Very high	94 Å²	94	53.9 Å²	53.9	41%	0.412	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	110.8	-180	-60.3	-85.4	0	0	0	108.5	Y285 R286 N299 W633	Y285-F301 VanDerWaalsContact O-CA 3.29Å; Y285-F301 WeakPolarHBondContact O-CA 3.46Å; R286-F301 HydrophobicContact CB-CD1 3.92Å; R286-F301 HydrophobicContact CB-CE1 3.78Å; R286-F301 HydrophobicContact CG-CD1 4.26Å; R286-F301 HydrophobicContact CG-CE1 3.75Å; R286-F301 HydrophobicContact CG-CZ 4.28Å; N299-F301 HydrophobicContact CB-CE2 4.22Å; N299-F301 HydrophobicContact CB-CZ 4.33Å; F301-W633 HydrophobicContact CD1-CB 4.22Å; F301-W633 AromaticContact CD1-CD1 3.67Å; F301-W633 HydrophobicContact CD1-CD2 4.01Å; F301-W633 AromaticContact CD1-CG 3.7Å; F301-W633 HydrophobicContact CD1-CG 3.7Å; F301-W633 AromaticContact CD1-NE1 3.95Å; F301-W633 HydrophobicContact CE1-CB 4.49Å; F301-W633 AromaticContact CE1-CD1 3.96Å; F301-W633 AromaticContact CE1-CD2 3.54Å; F301-W633 HydrophobicContact CE1-CD2 3.54Å; F301-W633 AromaticContact CE1-CE2 3.66Å; F301-W633 AromaticContact CE1-CE3 3.98Å; F301-W633 HydrophobicContact CE1-CE3 3.98Å; F301-W633 AromaticContact CE1-CG 3.76Å; F301-W633 HydrophobicContact CE1-CG 3.76Å; F301-W633 HydrophobicContact CE1-CZ2 4.2Å; F301-W633 HydrophobicContact CE1-CZ3 4.49Å; F301-W633 AromaticContact CE1-NE1 3.89Å
302	D	91.9	Very high	93.6	Very high	75 Å²	75	55.9 Å²	55.9	40%	0.401	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	128	-163.7	-65.8	-80	0	0	0	109.6	Y285 T300	Y285-D302 PolarHBondContact N-O 2.87Å; Y285-D302 PolarHBondContact O-N 3.14Å; T300-D302 VanDerWaalsContact CB-OD2 3.29Å; T300-D302 WeakPolarHBondContact CB-OD2 3.48Å; T300-D302 PolarHBondContact OG1-OD2 3.05Å
303	P	95.3	Very high	92.6	Very high	81 Å²	81	56.7 Å²	56.7	53%	0.526	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	152.6	-172.4	30.1	-35.3	0	0	0	113.4	Q282 A283	Q282-P303 HydrophobicContact CG-CB 4.29Å; A283-P303 CarbonylContact O-C 3.55Å; A283-P303 VanDerWaalsContact O-CA 3.27Å; A283-P303 WeakPolarHBondContact O-CA 3.38Å
304	F	95.4	Very high	91.6	Very high	13 Å²	13	52.9 Å²	52.9	6%	0.057	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	151.7	174	70.7	-96.1	0	0	0	113.3	Q282 A283 Q284 Y285 I307 L632	Q282-F304 WeakPolarHBondContact CA-O 3.46Å; A283-F304 HydrophobicContact CB-CD1 4.36Å; A283-F304 HydrophobicContact CB-CE1 3.75Å; A283-F304 HydrophobicContact CB-CE2 3.91Å; A283-F304 HydrophobicContact CB-CZ 3.5Å; A283-F304 PolarHBondContact N-O 2.92Å; A283-F304 PolarHBondContact O-N 3.18Å; Q284-F304 VanDerWaalsContact C-CE1 3.48Å; Y285-F304 AromaticContact CD1-CD1 3.7Å; Y285-F304 HydrophobicContact CD1-CD1 3.7Å; Y285-F304 AromaticContact CD1-CE1 3.73Å; Y285-F304 HydrophobicContact CD1-CE1 3.73Å; Y285-F304 HydrophobicContact CD2-CB 4.05Å; Y285-F304 AromaticContact CD2-CD1 3.63Å; Y285-F304 HydrophobicContact CD2-CD1 3.63Å; Y285-F304 HydrophobicContact CD2-CE1 4.47Å; Y285-F304 HydrophobicContact CD2-CG 4.2Å; Y285-F304 AromaticContact CE1-CD1 3.56Å; Y285-F304 HydrophobicContact CE1-CD1 3.56Å; Y285-F304 AromaticContact CE1-CE1 3.65Å; Y285-F304 HydrophobicContact CE1-CE1 3.65Å; Y285-F304 HydrophobicContact CE1-CG 4.08Å; Y285-F304 HydrophobicContact CE1-CZ 4.26Å; Y285-F304 HydrophobicContact CE2-CB 3.39Å; Y285-F304 AromaticContact CE2-CD1 3.52Å; Y285-F304 HydrophobicContact CE2-CD1 3.52Å; Y285-F304 HydrophobicContact CE2-CE1 4.44Å; Y285-F304 AromaticContact CE2-CG 3.65Å; Y285-F304 HydrophobicContact CE2-CG 3.65Å; Y285-F304 AromaticContact CG-CD1 3.71Å; Y285-F304 HydrophobicContact CG-CD1 3.71Å; Y285-F304 HydrophobicContact CG-CE1 4.12Å; Y285-F304 AromaticContact CZ-CD1 3.45Å; Y285-F304 VanDerWaalsContact CZ-CD1 3.45Å; Y285-F304 AromaticContact CZ-CG 3.55Å; F304-I307 HydrophobicContact CD2-CG1 3.99Å; F304-I307 HydrophobicContact CE2-CD1 3.95Å; F304-I307 HydrophobicContact CE2-CG1 3.52Å; F304-I307 HydrophobicContact CZ-CD1 4.04Å; F304-I307 HydrophobicContact CZ-CG1 4.01Å; F304-L632 HydrophobicContact CE1-CD2 4.39Å; F304-L632 HydrophobicContact CZ-CD2 4.33Å
305	L	96.4	Very high	90.6	Very high	27 Å²	27	58.8 Å²	58.8	14%	0.141	31%	0.308	C	S	.	.	S	Bend	trans	-105.5	-17.9	168	-61.3	177.2	0	0	0	112.8	L226 L229 V277 F281 Q282	L226-L305 HydrophobicContact CD2-CB 4.17Å; L229-L305 HydrophobicContact CB-CD1 4.24Å; V277-L305 HydrophobicContact CG1-CD2 4.08Å; F281-L305 HydrophobicContact CB-CD2 4Å; Q282-L305 HydrophobicContact CB-CD2 3.85Å; Q282-L305 HydrophobicContact CG-CD2 4.33Å
306	C	97.4	Very high	90.1	Very high	14 Å²	14	53.9 Å²	53.9	10%	0.095	28%	0.284	C	S	.	.			trans	-148.8	143.5	-177.7	-179.5	0	0	0	0	110.3	L226 Y285 I640	L226-C306 HydrophobicContact CD2-CB 4.06Å; Y285-C306 PolarHBondContact OH-O 3.17Å; C306-I640 WeakPolarHBondContact CA-O 3.43Å; C306-I640 HydrophobicContact CB-CB 4.19Å; C306-I640 HydrophobicContact CB-CG2 4.14Å; C306-I640 PolarHBondContact SG-O 3.43Å
307	I	97	Very high	89.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	120.8	169.5	-48.4	178.5	0	0	0	108.4	Y285 F304 L309 F600 Y603 L632 L639 I640 L641 H642	Y285-I307 HydrophobicContact CE1-CG1 4.4Å; Y285-I307 WeakPolarHBondContact OH-CA 3.49Å; F304-I307 HydrophobicContact CD2-CG1 3.99Å; F304-I307 HydrophobicContact CE2-CD1 3.95Å; F304-I307 HydrophobicContact CE2-CG1 3.52Å; F304-I307 HydrophobicContact CZ-CD1 4.04Å; F304-I307 HydrophobicContact CZ-CG1 4.01Å; I307-L309 HydrophobicContact CG2-CD2 3.62Å; I307-L309 HydrophobicContact CG2-CG 4.11Å; I307-F600 HydrophobicContact CD1-CE1 3.96Å; I307-F600 HydrophobicContact CG2-CE1 4.38Å; I307-Y603 HydrophobicContact CG2-CD1 3.97Å; I307-Y603 HydrophobicContact CG2-CE1 3.71Å; I307-Y603 HydrophobicContact CG2-CG 4.49Å; I307-L632 HydrophobicContact CD1-CD1 3.91Å; I307-L632 HydrophobicContact CD1-CD2 3.73Å; I307-L639 HydrophobicContact CD1-CD1 3.87Å; I307-L639 HydrophobicContact CG1-CD1 4.32Å; I307-I640 PolarHBondContact N-O 2.85Å; I307-L641 HydrophobicContact CB-CD2 3.83Å; I307-L641 HydrophobicContact CD1-CD2 3.87Å; I307-L641 HydrophobicContact CG1-CD2 4.07Å; I307-H642 PolarHBondContact O-N 3.31Å
308	S	96.9	Very high	89.4	Confident	19 Å²	19	47.1 Å²	47.1	13%	0.133	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	89.7	179.2	-73.6	0	0	0	0	110.7	H642	S308-H642 CarbonylContact C-O 3.55Å; S308-H642 WeakPolarHBondContact CA-O 2.99Å; S308-H642 WeakPolarHBondContact CB-ND1 3.17Å; S308-H642 PolarHBondContact OG-ND1 2.91Å
309	L	96	Very high	89.5	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	130.8	-171.7	-63.1	174.7	0	0	0	112.4	I307 L596 C599 F600 Y603 H642 K644	I307-L309 HydrophobicContact CG2-CD2 3.62Å; I307-L309 HydrophobicContact CG2-CG 4.11Å; L309-L596 HydrophobicContact CD1-CD1 3.61Å; L309-C599 HydrophobicContact CB-CB 4.14Å; L309-C599 HydrophobicContact CD1-CB 4.19Å; L309-F600 HydrophobicContact CD1-CD1 4.32Å; L309-F600 HydrophobicContact CD1-CD2 4.3Å; L309-F600 HydrophobicContact CD1-CE1 4.11Å; L309-F600 HydrophobicContact CD1-CE2 4.1Å; L309-F600 HydrophobicContact CD1-CG 4.4Å; L309-F600 HydrophobicContact CD1-CZ 4Å; L309-F600 HydrophobicContact CD2-CD1 3.57Å; L309-F600 HydrophobicContact CD2-CE1 3.76Å; L309-F600 HydrophobicContact CD2-CG 4.15Å; L309-F600 HydrophobicContact CD2-CZ 4.48Å; L309-F600 HydrophobicContact CG-CE1 4.46Å; L309-Y603 HydrophobicContact CD2-CD1 4.22Å; L309-Y603 HydrophobicContact CD2-CD2 4.39Å; L309-Y603 HydrophobicContact CD2-CG 3.84Å; L309-H642 PolarHBondContact N-O 3.03Å; L309-K644 VanDerWaalsContact O-CB 3.32Å; L309-K644 WeakPolarHBondContact O-CB 3.44Å; L309-K644 PolarHBondContact O-N 2.74Å
310	P	93.7	Very high	89.5	Confident	46 Å²	46	44.9 Å²	44.9	30%	0.299	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-69.1	143.6	166.6	31.9	-34.2	0	0	0	110	L602	P310-L602 HydrophobicContact CG-CB 4.09Å
311	L	91.1	Very high	89.7	Confident	5 Å²	5	42 Å²	42	3%	0.026	23%	0.226	C	C	.	.	P	Polyproline II helix	trans	-90.9	146.2	168.7	-65.6	83.8	0	0	0	109.3	L313 L643 K644 R645 L656 V660	L311-L313 PolarHBondContact O-N 2.96Å; L311-L643 HydrophobicContact CD1-CB 4.19Å; L311-K644 VanDerWaalsContact CD1-C 3.46Å; L311-K644 WeakPolarHBondContact CD1-O 3.37Å; L311-R645 HydrophobicContact CD1-CG 4.32Å; L311-R645 HydrophobicContact CD2-CG 4.46Å; L311-L656 HydrophobicContact CB-CD1 4.09Å; L311-L656 HydrophobicContact CD1-CD1 4.41Å; L311-V660 HydrophobicContact CD2-CG2 3.57Å; L311-V660 HydrophobicContact CG-CG2 4.17Å
312	P	84.3	Confident	89.7	Confident	43 Å²	43	37.7 Å²	37.7	28%	0.279	21%	0.208	S	C	.	.	P	Polyproline II helix	trans	-50.7	122.6	168.7	-24.9	32.5	0	0	0	111.2	C594 L602	P312-C594 HydrophobicContact CG-CB 3.86Å; P312-L602 HydrophobicContact CB-CD1 4.07Å; P312-L602 HydrophobicContact CG-CD1 3.7Å
313	L	74.1	Confident	89.7	Confident	88 Å²	88	34.2 Å²	34.2	46%	0.461	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-84.7	125.9	-178.5	-64.6	179.9	0	0	0	110.2	L311 Q315 L656	L311-L313 PolarHBondContact O-N 2.96Å; L313-Q315 PolarHBondContact O-N 2.95Å; L313-L656 HydrophobicContact CD2-CD1 3.88Å; L313-L656 HydrophobicContact CD2-CD2 4.44Å
314	R	72.6	Confident	89.5	Confident	53 Å²	53	30.6 Å²	30.6	20%	0.2	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-60.6	129.7	162.8	-62.9	-170.5	67.6	98	13.2	108.8	T316 L341 H588 Q591	R314-T316 PolarHBondContact NE-O 2.99Å; R314-T316 PolarHBondContact NH2-O 3.4Å; R314-T316 VanDerWaalsContact NH2-O 3.13Å; R314-L341 HydrophobicContact CB-CD1 4.25Å; R314-L341 WeakPolarHBondContact O-CD1 3.41Å; R314-H588 PolarHBondContact NH1-ND1 2.81Å; R314-H588 PolarHBondContact NH1-O 2.98Å; R314-H588 PolarHBondContact NH2-ND1 2.84Å; R314-H588 VanDerWaalsContact NH2-ND1 3.19Å; R314-Q591 VanDerWaalsContact NH1-C 3.32Å; R314-Q591 PolarHBondContact NH1-O 3.41Å; R314-Q591 VanDerWaalsContact NH1-O 3.1Å
315	Q	73.5	Confident	89.2	Confident	166 Å²	166	31.8 Å²	31.8	78%	0.776	17%	0.171	S	C	*	.	S	Bend	trans	-89.3	-22.1	168.4	-65.5	177.4	-7.6	0	0	111.3	L313 P340 L341	L313-Q315 PolarHBondContact O-N 2.95Å; Q315-P340 WeakPolarHBondContact O-CA 3.44Å; Q315-L341 PolarHBondContact O-N 2.74Å
316	T	83.4	Confident	88.2	Confident	36 Å²	36	33.7 Å²	33.7	22%	0.221	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	156.2	-174.8	60.1	0	0	0	0	114	R314 A338 V339	R314-T316 PolarHBondContact NE-O 2.99Å; R314-T316 PolarHBondContact NH2-O 3.4Å; R314-T316 VanDerWaalsContact NH2-O 3.13Å; T316-A338 HydrophobicContact CG2-CB 4.45Å; T316-A338 VanDerWaalsContact CG2-O 3.22Å; T316-A338 WeakPolarHBondContact CG2-O 3.24Å; T316-V339 CarbonylContact C-O 3.41Å; T316-V339 WeakPolarHBondContact CA-O 3.39Å; T316-V339 VanDerWaalsContact CB-O 3.27Å; T316-V339 WeakPolarHBondContact CB-O 3.42Å
317	R	82.9	Confident	86.8	Confident	27 Å²	27	36.8 Å²	36.8	10%	0.102	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	153.9	166.9	63.1	179.7	-179.2	122.7	-1.3	110	A338 V339 L341 L383 I386 D388	R317-A338 CarbonylContact O-C 3.52Å; R317-V339 HydrophobicContact CG-CG2 3.53Å; R317-V339 PolarHBondContact N-O 3.25Å; R317-V339 PolarHBondContact O-N 3.42Å; R317-L341 HydrophobicContact CB-CD2 3.74Å; R317-L341 HydrophobicContact CG-CD2 3.98Å; R317-L383 PolarHBondContact NH2-O 3.5Å; R317-I386 VanDerWaalsContact CZ-O 3.23Å; R317-I386 PolarHBondContact NH1-O 2.91Å; R317-I386 PolarHBondContact NH2-O 3.08Å; R317-D388 WeakPolarHBondContact CD-OD1 3.34Å; R317-D388 IonicContact CZ-OD1 2.66Å; R317-D388 IonicContact NE-OD1 2.68Å; R317-D388 IonicContact NH1-OD1 3.38Å; R317-D388 PolarHBondContact NH1-OD1 3.02Å
318	P	88.2	Confident	85	Confident	35 Å²	35	46 Å²	46	23%	0.227	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	137.7	167	31.2	-35.1	0	0	0	109.7	L337 Q584 H588	P318-L337 CarbonylContact C-O 3.48Å; P318-L337 WeakPolarHBondContact CA-O 3.3Å; P318-Q584 HydrophobicContact CB-CB 4.47Å; P318-H588 WeakPolarHBondContact CD-ND1 3.26Å; P318-H588 HydrophobicContact CG-CB 3.96Å
319	L	91.5	Very high	83.3	Confident	6 Å²	6	48.9 Å²	48.9	3%	0.031	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	132.6	164	-177	67.2	0	0	0	108.2	V321 L337 V339 L348 I386	L319-V321 HydrophobicContact CD2-CG2 4.01Å; L319-V321 HydrophobicContact CG-CG2 4.06Å; L319-L337 PolarHBondContact N-O 2.64Å; L319-L337 PolarHBondContact O-N 2.78Å; L319-V339 HydrophobicContact CB-CG1 3.83Å; L319-V339 HydrophobicContact CB-CG2 3.84Å; L319-V339 HydrophobicContact CD2-CG1 4.18Å; L319-L348 HydrophobicContact CD2-CD1 3.94Å; L319-L348 HydrophobicContact CD2-CD2 3.84Å; L319-I386 HydrophobicContact CD1-CG2 3.82Å; L319-I386 HydrophobicContact CD2-CG2 4.1Å
320	C	93.4	Very high	81.9	Confident	54 Å²	54	53.7 Å²	53.7	37%	0.365	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.9	173.5	-64	0	0	0	0	109.1	Q334 V335	C320-Q334 HydrophobicContact CB-CG 4.11Å; C320-V335 WeakPolarHBondContact CA-O 3.46Å
321	V	94.9	Very high	81.2	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	132.7	-179.2	-179.1	0	0	0	0	109.4	L319 L323 Q334 V335 L337 L348 V352 V392 A394	L319-V321 HydrophobicContact CD2-CG2 4.01Å; L319-V321 HydrophobicContact CG-CG2 4.06Å; V321-L323 PolarHBondContact O-N 3.08Å; V321-Q334 WeakPolarHBondContact O-CA 3.44Å; V321-V335 HydrophobicContact CB-CG2 4.33Å; V321-V335 PolarHBondContact N-O 2.97Å; V321-V335 WeakPolarHBondContact O-CG2 3.29Å; V321-V335 PolarHBondContact O-N 3.38Å; V321-L337 HydrophobicContact CG2-CD1 4.17Å; V321-L348 HydrophobicContact CG2-CD1 4.29Å; V321-V352 HydrophobicContact CB-CG2 4.36Å; V321-V352 HydrophobicContact CG1-CG1 4.5Å; V321-V352 HydrophobicContact CG1-CG2 4.05Å; V321-V352 HydrophobicContact CG2-CG2 4.2Å; V321-V392 HydrophobicContact CG1-CG1 4.22Å; V321-V392 HydrophobicContact CG2-CB 4.45Å; V321-V392 HydrophobicContact CG2-CG1 4.41Å; V321-A394 HydrophobicContact CG1-CB 3.62Å
322	T	93.9	Very high	81	Confident	4 Å²	4	55.8 Å²	55.8	3%	0.025	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	104	175.9	-59	0	0	0	0	110.3	L333 V392 Y393 A394 V575	T322-L333 CarbonylContact C-O 3.54Å; T322-V392 PolarHBondContact N-O 3.23Å; T322-Y393 HydrophobicContact CG2-CD1 3.64Å; T322-Y393 HydrophobicContact CG2-CE1 3.48Å; T322-Y393 VanDerWaalsContact CG2-CE1 3.48Å; T322-Y393 CarbonylContact O-C 3.4Å; T322-Y393 WeakPolarHBondContact O-CA 3.14Å; T322-A394 PolarHBondContact O-N 2.71Å; T322-V575 HydrophobicContact CG2-CG1 3.92Å; T322-V575 HydrophobicContact CG2-CG2 4.05Å
323	L	92.6	Very high	81.2	Confident	2 Å²	2	55 Å²	55	1%	0.01	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	131.6	169	-75.6	164.6	0	0	0	110.2	V321 F325 Y332 L333 V335 V352 I358 A394	V321-L323 PolarHBondContact O-N 3.08Å; L323-F325 HydrophobicContact CB-CD2 4.36Å; L323-F325 HydrophobicContact CB-CE2 3.79Å; L323-F325 HydrophobicContact CB-CZ 4.14Å; L323-F325 HydrophobicContact CD1-CE2 4.24Å; L323-F325 HydrophobicContact CD1-CZ 3.93Å; L323-Y332 WeakPolarHBondContact O-CA 3.44Å; L323-L333 HydrophobicContact CB-CB 4.47Å; L323-L333 PolarHBondContact N-O 3.18Å; L323-L333 PolarHBondContact O-N 2.78Å; L323-L333 VanDerWaalsContact O-N 3.1Å; L323-V335 HydrophobicContact CD1-CG1 3.7Å; L323-V335 HydrophobicContact CD1-CG2 3.98Å; L323-V335 HydrophobicContact CG-CG2 4.24Å; L323-V352 HydrophobicContact CD2-CG1 3.69Å; L323-I358 HydrophobicContact CD2-CD1 3.97Å; L323-A394 WeakPolarHBondContact CA-O 3.34Å; L323-A394 HydrophobicContact CD2-CB 4.02Å
324	V	91.1	Very high	82.1	Confident	5 Å²	5	53.5 Å²	53.5	3%	0.03	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	106	174.1	-178.7	0	0	0	0	108.6	R331 Y332 Y393 A394 F395 Q396 P471	V324-R331 CarbonylContact C-O 3.58Å; V324-R331 WeakPolarHBondContact CA-O 3.29Å; V324-Y332 HydrophobicContact CB-CD1 4.37Å; V324-Y332 HydrophobicContact CB-CE1 4.28Å; V324-Y332 HydrophobicContact CG1-CD1 4.11Å; V324-Y332 HydrophobicContact CG1-CE1 3.58Å; V324-Y332 HydrophobicContact CG2-CD1 3.98Å; V324-Y332 HydrophobicContact CG2-CE1 4.04Å; V324-Y393 HydrophobicContact CG2-CD1 3.67Å; V324-Y393 HydrophobicContact CG2-CE1 4.32Å; V324-A394 PolarHBondContact N-O 3.27Å; V324-F395 HydrophobicContact CB-CD1 3.66Å; V324-F395 HydrophobicContact CB-CE1 4.07Å; V324-F395 HydrophobicContact CB-CG 4.24Å; V324-F395 HydrophobicContact CG1-CD1 3.71Å; V324-F395 HydrophobicContact CG1-CE1 4.03Å; V324-F395 HydrophobicContact CG2-CD1 3.87Å; V324-F395 HydrophobicContact CG2-CE1 3.79Å; V324-F395 HydrophobicContact CG2-CG 4.45Å; V324-F395 HydrophobicContact CG2-CZ 4.31Å; V324-Q396 WeakPolarHBondContact O-CB 3.41Å; V324-Q396 PolarHBondContact O-N 2.72Å; V324-P471 HydrophobicContact CG2-CG 4.4Å
325	F	87.7	Confident	83.2	Confident	37 Å²	37	51 Å²	51	16%	0.162	28%	0.277	C	S	.	.			trans	-89.3	148.3	-178.7	-65.8	-82.2	0	0	0	112.2	L323 T327 Q330 R331 L333 G356 I358	L323-F325 HydrophobicContact CB-CD2 4.36Å; L323-F325 HydrophobicContact CB-CE2 3.79Å; L323-F325 HydrophobicContact CB-CZ 4.14Å; L323-F325 HydrophobicContact CD1-CE2 4.24Å; L323-F325 HydrophobicContact CD1-CZ 3.93Å; F325-T327 VanDerWaalsContact C-N 3.3Å; F325-T327 PolarHBondContact O-N 3.31Å; F325-Q330 WeakPolarHBondContact CB-O 3.49Å; F325-Q330 WeakPolarHBondContact CD2-O 3.46Å; F325-R331 PolarHBondContact N-O 3.37Å; F325-L333 HydrophobicContact CE2-CB 4.07Å; F325-L333 HydrophobicContact CE2-CD2 4.43Å; F325-G356 WeakPolarHBondContact CE1-O 3.46Å; F325-I358 HydrophobicContact CE1-CG2 4.15Å
326	S	75.6	Confident	84.1	Confident	67 Å²	67	43.2 Å²	43.2	47%	0.469	24%	0.241	S	C	.	.	S	Bend	trans	-73.4	-18.9	175.4	60.6	0	0	0	0	113.9	Q396	S326-Q396 PolarHBondContact OG-OE1 2.98Å
327	T	68.9	Low	84.6	Confident	80 Å²	80	41.9 Å²	41.9	49%	0.491	23%	0.233	S	C	.	.	S	Bend	trans	-91.2	156.5	-170.4	70.7	0	0	0	0	113.2	F325 R331	F325-T327 VanDerWaalsContact C-N 3.3Å; F325-T327 PolarHBondContact O-N 3.31Å; T327-R331 WeakPolarHBondContact O-CG 3.17Å
328	K	59	Low	85	Confident	193 Å²	193	42 Å²	42	84%	0.839	24%	0.24	S	C	*	.	S	Bend	trans	-76.9	-20	-172.9	-66.4	-177	179.8	178.9	0	115
329	G	60.8	Low	85.1	Confident	80 Å²	80	40.4 Å²	40.4	83%	0.825	23%	0.229	S	C	*	.	S	Bend	trans	-75.8	-41.6	-171.1	0	0	0	0	0	114.3
330	Q	67.1	Low	84.8	Confident	100 Å²	100	42.1 Å²	42.1	47%	0.467	24%	0.24	S	C	.	.			trans	-146.9	82	178.8	-176.7	171.4	-1.1	0	0	108.8	F325 Y332	F325-Q330 WeakPolarHBondContact CB-O 3.49Å; F325-Q330 WeakPolarHBondContact CD2-O 3.46Å; Q330-Y332 VanDerWaalsContact C-N 3.27Å; Q330-Y332 PolarHBondContact O-N 2.99Å
331	R	78.1	Confident	84.1	Confident	60 Å²	60	42.1 Å²	42.1	23%	0.226	24%	0.237	C	C	.	.			trans	-66.6	-25.9	-176.8	-77.5	178.4	154.3	169.7	-14.7	114.1	V324 F325 T327 Y495	V324-R331 CarbonylContact C-O 3.58Å; V324-R331 WeakPolarHBondContact CA-O 3.29Å; F325-R331 PolarHBondContact N-O 3.37Å; T327-R331 WeakPolarHBondContact O-CG 3.17Å; R331-Y495 VanDerWaalsContact NH1-CD1 3.33Å
332	Y	86.8	Confident	83.4	Confident	36 Å²	36	46.1 Å²	46.1	14%	0.141	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	134.2	-169.7	-53.2	-74.1	0	0	0	111	L323 V324 Q330 P470 P471 E573	L323-Y332 WeakPolarHBondContact O-CA 3.44Å; V324-Y332 HydrophobicContact CB-CD1 4.37Å; V324-Y332 HydrophobicContact CB-CE1 4.28Å; V324-Y332 HydrophobicContact CG1-CD1 4.11Å; V324-Y332 HydrophobicContact CG1-CE1 3.58Å; V324-Y332 HydrophobicContact CG2-CD1 3.98Å; V324-Y332 HydrophobicContact CG2-CE1 4.04Å; Q330-Y332 VanDerWaalsContact C-N 3.27Å; Q330-Y332 PolarHBondContact O-N 2.99Å; Y332-P470 HydrophobicContact CD2-CB 4.45Å; Y332-P470 HydrophobicContact CE1-CB 3.88Å; Y332-P470 HydrophobicContact CE2-CB 3.7Å; Y332-P470 HydrophobicContact CE2-CG 3.98Å; Y332-P470 WeakPolarHBondContact OH-CB 3.25Å; Y332-P471 WeakPolarHBondContact CE1-O 3.14Å; Y332-P471 PolarHBondContact OH-O 2.97Å; Y332-E573 WeakPolarHBondContact CB-OE1 3.22Å; Y332-E573 WeakPolarHBondContact CD1-OE1 3.27Å
333	L	89.8	Confident	82.9	Confident	27 Å²	27	47.5 Å²	47.5	14%	0.141	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	126.7	178.9	-178.8	59.6	0	0	0	109.6	T322 L323 F325 V335 K576 A578	T322-L333 CarbonylContact C-O 3.54Å; L323-L333 HydrophobicContact CB-CB 4.47Å; L323-L333 PolarHBondContact N-O 3.18Å; L323-L333 PolarHBondContact O-N 2.78Å; L323-L333 VanDerWaalsContact O-N 3.1Å; F325-L333 HydrophobicContact CE2-CB 4.07Å; F325-L333 HydrophobicContact CE2-CD2 4.43Å; L333-V335 HydrophobicContact CD2-CG1 3.94Å; L333-V335 HydrophobicContact CG-CG1 3.92Å; L333-K576 WeakPolarHBondContact CD1-O 3.5Å; L333-A578 HydrophobicContact CD1-CB 3.79Å; L333-A578 HydrophobicContact CD2-CB 4.34Å; L333-A578 HydrophobicContact CG-CB 4.15Å
334	Q	92.7	Very high	82.9	Confident	55 Å²	55	49 Å²	49	26%	0.257	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	127.2	170	-175.3	161.6	86	0	0	109.2	C320 V321 V575 K576 A578 V581	C320-Q334 HydrophobicContact CB-CG 4.11Å; V321-Q334 WeakPolarHBondContact O-CA 3.44Å; Q334-V575 HydrophobicContact CB-CG1 3.74Å; Q334-K576 PolarHBondContact N-O 2.84Å; Q334-A578 WeakPolarHBondContact O-CB 3.44Å; Q334-A578 PolarHBondContact O-N 2.87Å; Q334-V581 HydrophobicContact CG-CG2 4.17Å; Q334-V581 WeakPolarHBondContact O-CG2 3.41Å
335	V	94.4	Very high	83.1	Confident	1 Å²	1	48.8 Å²	48.8	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	146.5	-179.3	-64	0	0	0	0	111.3	C320 V321 L323 L333 L337 E355 A578	C320-V335 WeakPolarHBondContact CA-O 3.46Å; V321-V335 HydrophobicContact CB-CG2 4.33Å; V321-V335 PolarHBondContact N-O 2.97Å; V321-V335 WeakPolarHBondContact O-CG2 3.29Å; V321-V335 PolarHBondContact O-N 3.38Å; L323-V335 HydrophobicContact CD1-CG1 3.7Å; L323-V335 HydrophobicContact CD1-CG2 3.98Å; L323-V335 HydrophobicContact CG-CG2 4.24Å; L333-V335 HydrophobicContact CD2-CG1 3.94Å; L333-V335 HydrophobicContact CG-CG1 3.92Å; V335-L337 HydrophobicContact CG2-CG 4.43Å; V335-E355 HydrophobicContact CB-CG 3.63Å; V335-E355 HydrophobicContact CG1-CG 3.73Å; V335-E355 HydrophobicContact CG2-CG 3.86Å; V335-A578 HydrophobicContact CG1-CB 3.93Å
336	G	94.1	Very high	83.4	Confident	3 Å²	3	49.1 Å²	49.1	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.5	179.7	0	0	0	0	0	111.3	S580 Q584	G336-S580 PolarHBondContact N-OG 2.85Å; G336-Q584 VanDerWaalsContact O-CG 3.27Å; G336-Q584 WeakPolarHBondContact O-CG 3.31Å
337	L	93.7	Very high	84.2	Confident	8 Å²	8	48.2 Å²	48.2	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	133.7	-175.2	-62.4	177.2	0	0	0	112	P318 L319 V321 V335 V339 L348 M351 V352 E355	P318-L337 CarbonylContact C-O 3.48Å; P318-L337 WeakPolarHBondContact CA-O 3.3Å; L319-L337 PolarHBondContact N-O 2.64Å; L319-L337 PolarHBondContact O-N 2.78Å; V321-L337 HydrophobicContact CG2-CD1 4.17Å; V335-L337 HydrophobicContact CG2-CG 4.43Å; L337-V339 VanDerWaalsContact C-N 3.25Å; L337-V339 HydrophobicContact CB-CG1 3.82Å; L337-V339 PolarHBondContact O-N 3.08Å; L337-L348 HydrophobicContact CD1-CD1 3.82Å; L337-M351 HydrophobicContact CB-CE 4.2Å; L337-M351 HydrophobicContact CD1-CB 4.29Å; L337-M351 HydrophobicContact CD2-CB 4.48Å; L337-V352 HydrophobicContact CD1-CB 4.34Å; L337-V352 HydrophobicContact CD1-CG2 3.4Å; L337-E355 HydrophobicContact CD2-CB 3.87Å; L337-E355 HydrophobicContact CD2-CG 3.92Å
338	A	91.3	Very high	85.5	Confident	30 Å²	30	44.4 Å²	44.4	25%	0.248	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	65.4	173.1	0	0	0	0	0	111.2	T316 R317 M351	T316-A338 HydrophobicContact CG2-CB 4.45Å; T316-A338 VanDerWaalsContact CG2-O 3.22Å; T316-A338 WeakPolarHBondContact CG2-O 3.24Å; R317-A338 CarbonylContact O-C 3.52Å; A338-M351 WeakPolarHBondContact O-CE 3.02Å
339	V	90.4	Very high	87.2	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	141.7	-173.3	-54	0	0	0	0	111.5	T316 R317 L319 L337 L348 M351	T316-V339 CarbonylContact C-O 3.41Å; T316-V339 WeakPolarHBondContact CA-O 3.39Å; T316-V339 VanDerWaalsContact CB-O 3.27Å; T316-V339 WeakPolarHBondContact CB-O 3.42Å; R317-V339 HydrophobicContact CG-CG2 3.53Å; R317-V339 PolarHBondContact N-O 3.25Å; R317-V339 PolarHBondContact O-N 3.42Å; L319-V339 HydrophobicContact CB-CG1 3.83Å; L319-V339 HydrophobicContact CB-CG2 3.84Å; L319-V339 HydrophobicContact CD2-CG1 4.18Å; L337-V339 VanDerWaalsContact C-N 3.25Å; L337-V339 HydrophobicContact CB-CG1 3.82Å; L337-V339 PolarHBondContact O-N 3.08Å; V339-L348 HydrophobicContact CG1-CD1 3.8Å; V339-M351 HydrophobicContact CG1-CE 4.27Å; V339-M351 HydrophobicContact CG1-SD 4.3Å
340	P	85.3	Confident	88.8	Confident	42 Å²	42	34 Å²	34	27%	0.273	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54	148.3	172.4	-28.3	36.5	0	0	0	113.3	Q315 F342 L383	Q315-P340 WeakPolarHBondContact O-CA 3.44Å; P340-F342 VanDerWaalsContact C-N 3.3Å; P340-F342 WeakPolarHBondContact CB-O 3.31Å; P340-L383 HydrophobicContact CB-CD1 4.08Å; P340-L383 HydrophobicContact CG-CD1 4.33Å
341	L	78.2	Confident	90.1	Very high	55 Å²	55	31.8 Å²	31.8	29%	0.288	19%	0.187	S	C	.	.	S	Bend	trans	-70.5	-28.9	172	-67.6	-173.9	0	0	0	112.9	R314 Q315 R317	R314-L341 HydrophobicContact CB-CD1 4.25Å; R314-L341 WeakPolarHBondContact O-CD1 3.41Å; Q315-L341 PolarHBondContact O-N 2.74Å; R317-L341 HydrophobicContact CB-CD2 3.74Å; R317-L341 HydrophobicContact CG-CD2 3.98Å
342	F	79.4	Confident	90.9	Very high	84 Å²	84	29 Å²	29	37%	0.368	18%	0.176	S	C	.	.	S	Bend	trans	-132.4	140.5	178.5	-53.6	-82.6	0	0	0	107.7	P340 V649	P340-F342 VanDerWaalsContact C-N 3.3Å; P340-F342 WeakPolarHBondContact CB-O 3.31Å; F342-V649 HydrophobicContact CE1-CG1 3.96Å; F342-V649 HydrophobicContact CZ-CB 4.44Å; F342-V649 HydrophobicContact CZ-CG1 4.04Å; F342-V649 HydrophobicContact CZ-CG2 4.39Å
343	G	84.9	Confident	91.3	Very high	33 Å²	33	27.3 Å²	27.3	34%	0.34	17%	0.17	S	C	.	.	S	Bend	trans	138	177.4	-171.1	0	0	0	0	0	112.5	L383	G343-L383 WeakPolarHBondContact O-CB 3.43Å; G343-L383 VanDerWaalsContact O-CG 3.32Å; G343-L383 WeakPolarHBondContact O-CG 3.44Å; G343-L383 PolarHBondContact O-N 3.03Å
344	S	92.4	Very high	91.5	Very high	34 Å²	34	29.7 Å²	29.7	24%	0.238	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-93.4	155.2	-172	59.6	0	0	0	0	114.4	S346 S347 L348 L383	S344-S346 WeakPolarHBondContact CB-OG 3.18Å; S344-S346 PolarHBondContact O-N 3.02Å; S344-S346 PolarHBondContact OG-OG 3.32Å; S344-S347 VanDerWaalsContact O-CB 3.24Å; S344-S347 WeakPolarHBondContact O-CB 3.45Å; S344-S347 PolarHBondContact O-N 3.41Å; S344-S347 PolarHBondContact OG-N 2.94Å; S344-S347 PolarHBondContact OG-OG 3.02Å; S344-L348 PolarHBondContact O-N 3.35Å; S344-L383 WeakPolarHBondContact O-CD2 3.2Å; S344-L383 WeakPolarHBondContact O-CG 3.44Å
345	V	94.1	Very high	91.5	Very high	0 Å²	0	31 Å²	31	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-59.6	-28.9	166.7	160.5	0	0	0	0	112.1	S347 L348 R349 L365 F377 S378 D381 L383 I386	V345-S347 PolarHBondContact O-N 3.21Å; V345-L348 CarbonylContact O-C 3.56Å; V345-L348 WeakPolarHBondContact O-CB 3.38Å; V345-L348 PolarHBondContact O-N 3.44Å; V345-L348 VanDerWaalsContact O-N 3.11Å; V345-R349 PolarHBondContact O-N 3.38Å; V345-L365 HydrophobicContact CG1-CD1 3.78Å; V345-F377 HydrophobicContact CG1-CB 3.82Å; V345-F377 HydrophobicContact CG2-CB 4.3Å; V345-S378 VanDerWaalsContact CB-O 3.23Å; V345-S378 WeakPolarHBondContact CB-O 3.44Å; V345-S378 WeakPolarHBondContact CG1-O 3.39Å; V345-D381 HydrophobicContact CB-CB 4.27Å; V345-D381 WeakPolarHBondContact CB-O 3.34Å; V345-D381 HydrophobicContact CG2-CB 3.83Å; V345-D381 WeakPolarHBondContact CG2-O 3.32Å; V345-D381 PolarHBondContact N-O 3.37Å; V345-L383 HydrophobicContact CG2-CD2 4.39Å; V345-I386 HydrophobicContact CG2-CD1 4.08Å
346	S	93.8	Very high	91.2	Very high	44 Å²	44	31.5 Å²	31.5	31%	0.308	21%	0.205	S	C	.	.	H	α-helix	trans	-58	-35.7	170.8	61.5	0	0	0	0	112.9	S344 R349 A350 D379	S344-S346 WeakPolarHBondContact CB-OG 3.18Å; S344-S346 PolarHBondContact O-N 3.02Å; S344-S346 PolarHBondContact OG-OG 3.32Å; S346-R349 PolarHBondContact O-N 3.12Å; S346-A350 PolarHBondContact O-N 2.66Å; S346-D379 WeakPolarHBondContact CA-OD1 3.32Å; S346-D379 VanDerWaalsContact CB-OD2 3.31Å; S346-D379 WeakPolarHBondContact CB-OD2 3.48Å
347	S	93.4	Very high	91	Very high	48 Å²	48	38.8 Å²	38.8	34%	0.336	24%	0.243	S	C	.	.	H	α-helix	trans	-66.2	-43.7	174.3	-54.7	0	0	0	0	111.4	S344 V345 R349 A350 M351	S344-S347 VanDerWaalsContact O-CB 3.24Å; S344-S347 WeakPolarHBondContact O-CB 3.45Å; S344-S347 PolarHBondContact O-N 3.41Å; S344-S347 PolarHBondContact OG-N 2.94Å; S344-S347 PolarHBondContact OG-OG 3.02Å; V345-S347 PolarHBondContact O-N 3.21Å; S347-R349 VanDerWaalsContact C-N 3.34Å; S347-R349 PolarHBondContact O-N 2.82Å; S347-A350 PolarHBondContact O-N 3.15Å; S347-M351 WeakPolarHBondContact O-CG 3.28Å; S347-M351 PolarHBondContact O-N 3.27Å
348	L	95.2	Very high	90.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-42	172.3	167.3	65.2	0	0	0	111.6	L319 V321 L337 V339 S344 V345 A350 M351 V352 L365 L383 I386	L319-L348 HydrophobicContact CD2-CD1 3.94Å; L319-L348 HydrophobicContact CD2-CD2 3.84Å; V321-L348 HydrophobicContact CG2-CD1 4.29Å; L337-L348 HydrophobicContact CD1-CD1 3.82Å; V339-L348 HydrophobicContact CG1-CD1 3.8Å; S344-L348 PolarHBondContact O-N 3.35Å; V345-L348 CarbonylContact O-C 3.56Å; V345-L348 WeakPolarHBondContact O-CB 3.38Å; V345-L348 PolarHBondContact O-N 3.44Å; V345-L348 VanDerWaalsContact O-N 3.11Å; L348-A350 VanDerWaalsContact C-N 3.32Å; L348-A350 PolarHBondContact O-N 3.21Å; L348-M351 PolarHBondContact O-N 3.07Å; L348-V352 HydrophobicContact CD1-CG2 3.61Å; L348-V352 HydrophobicContact CG-CG2 4.11Å; L348-V352 WeakPolarHBondContact O-CB 3.44Å; L348-V352 VanDerWaalsContact O-CG2 3.26Å; L348-V352 WeakPolarHBondContact O-CG2 3.48Å; L348-V352 PolarHBondContact O-N 3.28Å; L348-L365 HydrophobicContact CD2-CD1 4.15Å; L348-L365 HydrophobicContact CG-CD1 4.16Å; L348-L383 HydrophobicContact CB-CD2 3.49Å; L348-L383 VanDerWaalsContact CB-CD2 3.49Å; L348-L383 HydrophobicContact CD2-CD2 4.23Å; L348-L383 HydrophobicContact CG-CD2 4.47Å; L348-I386 HydrophobicContact CD2-CD1 3.54Å
349	R	94.8	Very high	91	Very high	6 Å²	6	39.5 Å²	39.5	2%	0.023	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-43.6	178.6	-161.8	-177.6	-50.2	-92.7	-4.7	111.2	V345 S346 S347 A353 P360 V363 L365 F377 D379 G547	V345-R349 PolarHBondContact O-N 3.38Å; S346-R349 PolarHBondContact O-N 3.12Å; S347-R349 VanDerWaalsContact C-N 3.34Å; S347-R349 PolarHBondContact O-N 2.82Å; R349-A353 WeakPolarHBondContact O-CB 3.18Å; R349-A353 PolarHBondContact O-N 3.29Å; R349-P360 WeakPolarHBondContact CD-O 3.46Å; R349-V363 HydrophobicContact CG-CB 3.67Å; R349-V363 HydrophobicContact CG-CG1 3.85Å; R349-V363 HydrophobicContact CG-CG2 4.48Å; R349-V363 PolarHBondContact NH1-O 3.09Å; R349-L365 HydrophobicContact CB-CD1 4.04Å; R349-L365 HydrophobicContact CG-CD1 4.33Å; R349-F377 PolarHBondContact NH2-O 3.49Å; R349-F377 VanDerWaalsContact NH2-O 3.08Å; R349-D379 IonicContact CZ-OD1 2.75Å; R349-D379 IonicContact NE-OD1 3.03Å; R349-D379 PolarHBondContact NE-OD1 3.39Å; R349-D379 IonicContact NE-OD2 2.74Å; R349-D379 IonicContact NH2-OD1 2.73Å; R349-D379 PolarHBondContact NH2-OD1 3.31Å; R349-G547 WeakPolarHBondContact CD-O 3.24Å; R349-G547 VanDerWaalsContact CZ-C 3.48Å; R349-G547 PolarHBondContact NE-O 2.81Å; R349-G547 VanDerWaalsContact NE-O 3.14Å
350	A	94.9	Very high	91	Very high	47 Å²	47	42.6 Å²	42.6	39%	0.388	27%	0.267	S	S	.	.	H	α-helix	trans	-64.3	-40.3	174.6	0	0	0	0	0	113	S346 S347 L348 A353 A354	S346-A350 PolarHBondContact O-N 2.66Å; S347-A350 PolarHBondContact O-N 3.15Å; L348-A350 VanDerWaalsContact C-N 3.32Å; L348-A350 PolarHBondContact O-N 3.21Å; A350-A353 PolarHBondContact O-N 2.76Å; A350-A354 PolarHBondContact O-N 3.47Å
351	M	95.3	Very high	91.3	Very high	55 Å²	55	44.7 Å²	44.7	27%	0.271	28%	0.277	S	S	.	.	H	α-helix	trans	-64.8	-48	175.7	-69.1	174.4	74.9	0	0	112.4	L337 A338 V339 S347 L348 A353 A354 E355	L337-M351 HydrophobicContact CB-CE 4.2Å; L337-M351 HydrophobicContact CD1-CB 4.29Å; L337-M351 HydrophobicContact CD2-CB 4.48Å; A338-M351 WeakPolarHBondContact O-CE 3.02Å; V339-M351 HydrophobicContact CG1-CE 4.27Å; V339-M351 HydrophobicContact CG1-SD 4.3Å; S347-M351 WeakPolarHBondContact O-CG 3.28Å; S347-M351 PolarHBondContact O-N 3.27Å; L348-M351 PolarHBondContact O-N 3.07Å; M351-A353 VanDerWaalsContact C-N 3.27Å; M351-A353 PolarHBondContact O-N 3.3Å; M351-A354 PolarHBondContact O-N 2.88Å; M351-E355 WeakPolarHBondContact O-CB 3.48Å; M351-E355 PolarHBondContact O-N 2.95Å
352	V	94.8	Very high	91.9	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.4	-40.6	175	168.2	0	0	0	0	111	V321 L323 L337 L348 G356 V363 L365 A394	V321-V352 HydrophobicContact CB-CG2 4.36Å; V321-V352 HydrophobicContact CG1-CG1 4.5Å; V321-V352 HydrophobicContact CG1-CG2 4.05Å; V321-V352 HydrophobicContact CG2-CG2 4.2Å; L323-V352 HydrophobicContact CD2-CG1 3.69Å; L337-V352 HydrophobicContact CD1-CB 4.34Å; L337-V352 HydrophobicContact CD1-CG2 3.4Å; L348-V352 HydrophobicContact CD1-CG2 3.61Å; L348-V352 HydrophobicContact CG-CG2 4.11Å; L348-V352 WeakPolarHBondContact O-CB 3.44Å; L348-V352 VanDerWaalsContact O-CG2 3.26Å; L348-V352 WeakPolarHBondContact O-CG2 3.48Å; L348-V352 PolarHBondContact O-N 3.28Å; V352-G356 PolarHBondContact O-N 2.7Å; V352-V363 HydrophobicContact CG1-CG1 3.87Å; V352-L365 HydrophobicContact CG1-CD2 4.49Å; V352-L365 HydrophobicContact CG2-CD2 4.39Å; V352-A394 HydrophobicContact CG1-CB 3.44Å; V352-A394 VanDerWaalsContact CG1-CB 3.44Å
353	A	93.7	Very high	92.6	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-64.8	-47.8	178.6	0	0	0	0	0	112.2	R349 A350 M351 G356 N357 I358 P360 V363	R349-A353 WeakPolarHBondContact O-CB 3.18Å; R349-A353 PolarHBondContact O-N 3.29Å; A350-A353 PolarHBondContact O-N 2.76Å; M351-A353 VanDerWaalsContact C-N 3.27Å; M351-A353 PolarHBondContact O-N 3.3Å; A353-G356 PolarHBondContact O-N 3.27Å; A353-N357 PolarHBondContact O-N 3.17Å; A353-I358 CarbonylContact C-O 3.52Å; A353-I358 HydrophobicContact CB-CG1 4.37Å; A353-I358 WeakPolarHBondContact CB-O 3.49Å; A353-I358 PolarHBondContact O-N 3.27Å; A353-I358 VanDerWaalsContact O-O 3.05Å; A353-P360 HydrophobicContact CB-CB 4.08Å; A353-P360 HydrophobicContact CB-CG 3.75Å; A353-V363 HydrophobicContact CB-CG2 3.89Å
354	A	94.4	Very high	93	Very high	78 Å²	78	38 Å²	38	65%	0.645	24%	0.236	S	C	*	.	H	α-helix	trans	-62.4	-48.1	177.6	0	0	0	0	0	112.3	A350 M351 G356 N357	A350-A354 PolarHBondContact O-N 3.47Å; M351-A354 PolarHBondContact O-N 2.88Å; A354-G356 VanDerWaalsContact C-N 3.33Å; A354-G356 PolarHBondContact O-N 2.84Å; A354-N357 PolarHBondContact O-N 3.48Å; A354-N357 VanDerWaalsContact O-N 3.12Å
355	E	92.1	Very high	93.1	Very high	83 Å²	83	36.4 Å²	36.4	39%	0.388	23%	0.225	S	C	.	.	H	α-helix	trans	-63.1	-37.6	178	-179.8	73.9	-176.2	0	0	112.2	V335 L337 M351 N357 S580	V335-E355 HydrophobicContact CB-CG 3.63Å; V335-E355 HydrophobicContact CG1-CG 3.73Å; V335-E355 HydrophobicContact CG2-CG 3.86Å; L337-E355 HydrophobicContact CD2-CB 3.87Å; L337-E355 HydrophobicContact CD2-CG 3.92Å; M351-E355 WeakPolarHBondContact O-CB 3.48Å; M351-E355 PolarHBondContact O-N 2.95Å; E355-N357 VanDerWaalsContact C-N 3.31Å; E355-S580 WeakPolarHBondContact OE1-CB 3.14Å; E355-S580 PolarHBondContact OE1-OG 2.64Å
356	G	89.6	Confident	93.1	Very high	11 Å²	11	36.4 Å²	36.4	11%	0.113	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-5.9	174.7	0	0	0	0	0	115.1	F325 V352 A353 A354 I358	F325-G356 WeakPolarHBondContact CE1-O 3.46Å; V352-G356 PolarHBondContact O-N 2.7Å; A353-G356 PolarHBondContact O-N 3.27Å; A354-G356 VanDerWaalsContact C-N 3.33Å; A354-G356 PolarHBondContact O-N 2.84Å; G356-I358 VanDerWaalsContact C-N 3.28Å; G356-I358 PolarHBondContact O-N 3.02Å
357	N	90.4	Very high	93.1	Very high	155 Å²	155	34.8 Å²	34.8	83%	0.829	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	45.9	-169.4	-162.8	17.3	0	0	0	113.3	A353 A354 E355	A353-N357 PolarHBondContact O-N 3.17Å; A354-N357 PolarHBondContact O-N 3.48Å; A354-N357 VanDerWaalsContact O-N 3.12Å; E355-N357 VanDerWaalsContact C-N 3.31Å
358	I	91.3	Very high	92.9	Very high	20 Å²	20	32.5 Å²	32.5	10%	0.103	20%	0.196	C	C	.	.	S	Bend	trans	-125.1	160.6	178.3	58.1	-173.9	0	0	0	109.8	L323 F325 A353 G356 V363 Q396	L323-I358 HydrophobicContact CD2-CD1 3.97Å; F325-I358 HydrophobicContact CE1-CG2 4.15Å; A353-I358 CarbonylContact C-O 3.52Å; A353-I358 HydrophobicContact CB-CG1 4.37Å; A353-I358 WeakPolarHBondContact CB-O 3.49Å; A353-I358 PolarHBondContact O-N 3.27Å; A353-I358 VanDerWaalsContact O-O 3.05Å; G356-I358 VanDerWaalsContact C-N 3.28Å; G356-I358 PolarHBondContact O-N 3.02Å; I358-V363 HydrophobicContact CD1-CG2 3.68Å; I358-V363 HydrophobicContact CG1-CG2 3.92Å; I358-Q396 HydrophobicContact CD1-CB 4.33Å; I358-Q396 HydrophobicContact CD1-CG 4.46Å; I358-Q396 HydrophobicContact CG2-CG 4.01Å
359	A	91.7	Very high	92.6	Very high	34 Å²	34	35.7 Å²	35.7	28%	0.281	21%	0.209	S	C	.	.			trans	-79.2	141.1	179.1	0	0	0	0	0	110.9	D361 Q362	A359-D361 WeakPolarHBondContact CB-OD1 3.4Å; A359-D361 PolarHBondContact O-N 3.04Å; A359-Q362 HydrophobicContact CB-CG 4.25Å; A359-Q362 WeakPolarHBondContact O-CB 3.35Å; A359-Q362 PolarHBondContact O-N 3.1Å
360	P	91.9	Very high	92.2	Very high	64 Å²	64	38.6 Å²	38.6	42%	0.416	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-58.2	-33.1	-176.7	-25.6	33.5	0	0	0	114.3	R349 A353 Q362 V363	R349-P360 WeakPolarHBondContact CD-O 3.46Å; A353-P360 HydrophobicContact CB-CB 4.08Å; A353-P360 HydrophobicContact CB-CG 3.75Å; P360-Q362 PolarHBondContact O-N 3.16Å; P360-V363 PolarHBondContact O-N 3.05Å; P360-V363 VanDerWaalsContact O-N 3.14Å
361	D	91	Very high	91.7	Very high	87 Å²	87	39.3 Å²	39.3	47%	0.465	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-70	-7.4	176.2	70	-54.4	0	0	0	113.8	A359 P549	A359-D361 WeakPolarHBondContact CB-OD1 3.4Å; A359-D361 PolarHBondContact O-N 3.04Å; D361-P549 WeakPolarHBondContact O-CD 3.36Å; D361-P549 WeakPolarHBondContact O-CG 3.2Å
362	Q	91.8	Very high	91.4	Very high	28 Å²	28	36.7 Å²	36.7	13%	0.131	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-96	-10.4	172.6	-63.3	169.6	20	0	0	112.6	A359 P360 A397	A359-Q362 HydrophobicContact CB-CG 4.25Å; A359-Q362 WeakPolarHBondContact O-CB 3.35Å; A359-Q362 PolarHBondContact O-N 3.1Å; P360-Q362 PolarHBondContact O-N 3.16Å; Q362-A397 WeakPolarHBondContact O-CB 3.13Å; Q362-A397 PolarHBondContact O-N 3.47Å
363	V	93.4	Very high	91.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.2	-171.2	-177.3	0	0	0	0	111.7	R349 V352 A353 I358 P360 L365 A394	R349-V363 HydrophobicContact CG-CB 3.67Å; R349-V363 HydrophobicContact CG-CG1 3.85Å; R349-V363 HydrophobicContact CG-CG2 4.48Å; R349-V363 PolarHBondContact NH1-O 3.09Å; V352-V363 HydrophobicContact CG1-CG1 3.87Å; A353-V363 HydrophobicContact CB-CG2 3.89Å; I358-V363 HydrophobicContact CD1-CG2 3.68Å; I358-V363 HydrophobicContact CG1-CG2 3.92Å; P360-V363 PolarHBondContact O-N 3.05Å; P360-V363 VanDerWaalsContact O-N 3.14Å; V363-L365 HydrophobicContact CG1-CD2 3.96Å; V363-L365 HydrophobicContact CG1-CG 4.15Å; V363-A394 HydrophobicContact CG1-CB 4.19Å
364	I	93.8	Very high	90.9	Very high	2 Å²	2	42 Å²	42	1%	0.01	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	113.6	172.3	-60.4	168.6	0	0	0	109.7	A394 F395 A397 L452 L454 P549 H551	I364-A394 WeakPolarHBondContact O-CA 3.21Å; I364-F395 HydrophobicContact CB-CB 4.28Å; I364-F395 PolarHBondContact N-O 2.69Å; I364-F395 PolarHBondContact O-N 3.46Å; I364-A397 HydrophobicContact CD1-CB 4.35Å; I364-L452 HydrophobicContact CD1-CD2 3.53Å; I364-L454 HydrophobicContact CB-CD2 4.45Å; I364-L454 HydrophobicContact CD1-CD1 3.83Å; I364-L454 HydrophobicContact CG2-CD1 4.5Å; I364-L454 HydrophobicContact CG2-CD2 3.68Å; I364-P549 HydrophobicContact CD1-CB 4.38Å; I364-H551 HydrophobicContact CD1-CB 4.03Å; I364-H551 VanDerWaalsContact CG2-CE1 3.41Å; I364-H551 WeakPolarHBondContact CG2-CE1 3.35Å
365	L	94.5	Very high	90.5	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	122.5	178.4	-62.4	174.6	0	0	0	111	V345 L348 R349 V352 V363 F377 V392 Y393 A394	V345-L365 HydrophobicContact CG1-CD1 3.78Å; L348-L365 HydrophobicContact CD2-CD1 4.15Å; L348-L365 HydrophobicContact CG-CD1 4.16Å; R349-L365 HydrophobicContact CB-CD1 4.04Å; R349-L365 HydrophobicContact CG-CD1 4.33Å; V352-L365 HydrophobicContact CG1-CD2 4.49Å; V352-L365 HydrophobicContact CG2-CD2 4.39Å; V363-L365 HydrophobicContact CG1-CD2 3.96Å; V363-L365 HydrophobicContact CG1-CG 4.15Å; L365-F377 HydrophobicContact CB-CB 4.07Å; L365-F377 HydrophobicContact CB-CD2 4.14Å; L365-F377 PolarHBondContact O-N 3.15Å; L365-F377 VanDerWaalsContact O-N 3.11Å; L365-V392 HydrophobicContact CD2-CG1 4.39Å; L365-Y393 WeakPolarHBondContact CA-O 3.42Å; L365-A394 HydrophobicContact CD2-CB 3.78Å
366	S	93.4	Very high	90.3	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	146.8	175.9	-173.8	0	0	0	0	111.6	R375 Y393 K553	S366-R375 PolarHBondContact OG-O 3.25Å; S366-Y393 PolarHBondContact N-O 3.39Å; S366-Y393 PolarHBondContact O-N 2.83Å; S366-K553 WeakPolarHBondContact OG-CD 3.47Å; S366-K553 PolarHBondContact OG-NZ 3Å
367	E	93.1	Very high	90.4	Very high	9 Å²	9	41.6 Å²	41.6	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	133.7	171.7	-176.3	-174.4	-141.5	0	0	110.3	Y369 Q374 R375 F377	E367-Y369 HydrophobicContact CG-CD2 4.11Å; E367-Y369 HydrophobicContact CG-CE2 3.46Å; E367-Y369 VanDerWaalsContact CG-CE2 3.46Å; E367-Y369 WeakPolarHBondContact OE1-CE2 3.47Å; E367-Y369 PolarHBondContact OE1-OH 3.35Å; E367-Q374 HydrophobicContact CG-CB 4.28Å; E367-Q374 PolarHBondContact O-N 3.36Å; E367-Q374 VanDerWaalsContact OE2-CB 3.3Å; E367-Q374 WeakPolarHBondContact OE2-CB 3.42Å; E367-R375 HydrophobicContact CB-CB 4.19Å; E367-R375 VanDerWaalsContact CD-NH2 3.29Å; E367-R375 PolarHBondContact N-O 2.87Å; E367-R375 IonicContact OE1-CZ 3.53Å; E367-R375 IonicContact OE1-NE 3.56Å; E367-R375 IonicContact OE1-NH2 2.71Å; E367-R375 PolarHBondContact OE1-NH2 3.14Å; E367-R375 WeakPolarHBondContact OE2-CB 3.26Å; E367-R375 WeakPolarHBondContact OE2-CG 3.5Å; E367-R375 IonicContact OE2-CZ 3.73Å; E367-R375 PolarHBondContact OE2-N 3.12Å; E367-R375 IonicContact OE2-NE 2.78Å; E367-R375 PolarHBondContact OE2-NE 3Å; E367-R375 IonicContact OE2-NH2 3.4Å; E367-R375 PolarHBondContact OE2-NH2 3.07Å; E367-F377 HydrophobicContact CB-CE2 3.88Å; E367-F377 HydrophobicContact CB-CZ 3.91Å
368	L	90.3	Very high	90.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	116.6	-173.6	169.9	61.4	0	0	0	110.9	F373 V391 Y393 F395 C456 P471	L368-F373 HydrophobicContact CB-CD1 4.22Å; L368-F373 HydrophobicContact CD1-CD1 4.11Å; L368-F373 HydrophobicContact CD1-CE1 4.4Å; L368-F373 HydrophobicContact CD1-CG 4.38Å; L368-F373 HydrophobicContact CD2-CE1 4.2Å; L368-V391 PolarHBondContact N-O 3.13Å; L368-V391 VanDerWaalsContact N-O 3.11Å; L368-V391 WeakPolarHBondContact O-CB 3.32Å; L368-V391 WeakPolarHBondContact O-CG1 3.45Å; L368-Y393 HydrophobicContact CB-CD2 3.69Å; L368-Y393 HydrophobicContact CB-CE2 3.97Å; L368-Y393 HydrophobicContact CB-CG 4.46Å; L368-Y393 HydrophobicContact CD2-CD1 4.46Å; L368-Y393 HydrophobicContact CD2-CD2 3.96Å; L368-Y393 HydrophobicContact CD2-CE1 4.41Å; L368-Y393 HydrophobicContact CD2-CE2 3.87Å; L368-Y393 HydrophobicContact CD2-CG 4.23Å; L368-Y393 HydrophobicContact CG-CD2 4.16Å; L368-Y393 HydrophobicContact CG-CE2 4Å; L368-F395 HydrophobicContact CD2-CZ 4.47Å; L368-C456 HydrophobicContact CD1-CB 4.28Å; L368-P471 HydrophobicContact CD2-CB 3.64Å; L368-P471 HydrophobicContact CD2-CG 3.67Å
369	Y	88.9	Confident	90.4	Very high	67 Å²	67	36.2 Å²	36.2	26%	0.263	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	-176.4	176.8	-63.1	-85.8	0	0	0	111.7	E367 T371 G372 Q374 D390 V391	E367-Y369 HydrophobicContact CG-CD2 4.11Å; E367-Y369 HydrophobicContact CG-CE2 3.46Å; E367-Y369 VanDerWaalsContact CG-CE2 3.46Å; E367-Y369 WeakPolarHBondContact OE1-CE2 3.47Å; E367-Y369 PolarHBondContact OE1-OH 3.35Å; Y369-T371 PolarHBondContact O-N 2.75Å; Y369-G372 PolarHBondContact N-O 2.84Å; Y369-G372 PolarHBondContact O-N 2.68Å; Y369-Q374 HydrophobicContact CD2-CB 4.45Å; Y369-Q374 HydrophobicContact CD2-CG 3.68Å; Y369-Q374 HydrophobicContact CE2-CG 4.12Å; Y369-D390 PolarHBondContact OH-OD1 2.91Å; Y369-V391 HydrophobicContact CD1-CB 4.21Å; Y369-V391 HydrophobicContact CD1-CG2 3.78Å; Y369-V391 HydrophobicContact CE1-CB 4.15Å; Y369-V391 HydrophobicContact CE1-CG2 3.67Å
370	S	85.1	Confident	90.4	Very high	68 Å²	68	41 Å²	41	48%	0.476	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-8.4	170.8	58.7	0	0	0	0	115.6	A466 R467	S370-A466 CarbonylContact O-C 3.57Å; S370-A466 WeakPolarHBondContact O-CA 3.36Å; S370-R467 WeakPolarHBondContact O-CB 3.18Å; S370-R467 PolarHBondContact O-N 2.91Å
371	T	85.9	Confident	90.3	Very high	61 Å²	61	40.7 Å²	40.7	37%	0.374	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-1.1	172.5	51.3	0	0	0	0	114	Y369 Q374	Y369-T371 PolarHBondContact O-N 2.75Å; T371-Q374 PolarHBondContact OG1-NE2 3.44Å
372	G	88.7	Confident	90.2	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	101.3	-167.6	-173.2	0	0	0	0	0	113.3	Y369 Q374	Y369-G372 PolarHBondContact N-O 2.84Å; Y369-G372 PolarHBondContact O-N 2.68Å; G372-Q374 PolarHBondContact O-N 3.11Å
373	F	90.4	Very high	90	Very high	13 Å²	13	39.6 Å²	39.6	6%	0.057	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	132.4	-178.5	-63.5	-70.7	0	0	0	112.2	L368 F395 L454 C456 V515 K553 V555	L368-F373 HydrophobicContact CB-CD1 4.22Å; L368-F373 HydrophobicContact CD1-CD1 4.11Å; L368-F373 HydrophobicContact CD1-CE1 4.4Å; L368-F373 HydrophobicContact CD1-CG 4.38Å; L368-F373 HydrophobicContact CD2-CE1 4.2Å; F373-F395 HydrophobicContact CE1-CE2 4.25Å; F373-F395 HydrophobicContact CE1-CZ 4.1Å; F373-L454 HydrophobicContact CZ-CB 4.02Å; F373-C456 HydrophobicContact CE2-CB 4Å; F373-C456 HydrophobicContact CZ-CB 4.28Å; F373-V515 HydrophobicContact CB-CG1 4.46Å; F373-V515 HydrophobicContact CB-CG2 4.38Å; F373-V515 HydrophobicContact CD2-CG2 4.28Å; F373-K553 HydrophobicContact CB-CD 4.3Å; F373-K553 HydrophobicContact CD1-CD 3.88Å; F373-K553 HydrophobicContact CD2-CB 3.93Å; F373-K553 HydrophobicContact CD2-CD 4.48Å; F373-K553 HydrophobicContact CE1-CD 4.29Å; F373-K553 HydrophobicContact CE2-CB 4.17Å; F373-K553 HydrophobicContact CG-CB 4.27Å; F373-K553 HydrophobicContact CG-CD 3.99Å; F373-V555 HydrophobicContact CD2-CG2 4.47Å
374	Q	86.8	Confident	89.6	Confident	100 Å²	100	41.8 Å²	41.8	47%	0.467	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	-99.7	170.3	-62	-62.8	-19.7	0	0	109	E367 Y369 T371 G372	E367-Q374 HydrophobicContact CG-CB 4.28Å; E367-Q374 PolarHBondContact O-N 3.36Å; E367-Q374 VanDerWaalsContact OE2-CB 3.3Å; E367-Q374 WeakPolarHBondContact OE2-CB 3.42Å; Y369-Q374 HydrophobicContact CD2-CB 4.45Å; Y369-Q374 HydrophobicContact CD2-CG 3.68Å; Y369-Q374 HydrophobicContact CE2-CG 4.12Å; T371-Q374 PolarHBondContact OG1-NE2 3.44Å; G372-Q374 PolarHBondContact O-N 3.11Å
375	R	86.9	Confident	89.3	Confident	95 Å²	95	43.6 Å²	43.6	36%	0.358	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	158.8	-179.5	-65.2	175.7	-71.4	158.1	-0.4	113.7	S366 E367 F377 A385 D390 K553	S366-R375 PolarHBondContact OG-O 3.25Å; E367-R375 HydrophobicContact CB-CB 4.19Å; E367-R375 VanDerWaalsContact CD-NH2 3.29Å; E367-R375 PolarHBondContact N-O 2.87Å; E367-R375 IonicContact OE1-CZ 3.53Å; E367-R375 IonicContact OE1-NE 3.56Å; E367-R375 IonicContact OE1-NH2 2.71Å; E367-R375 PolarHBondContact OE1-NH2 3.14Å; E367-R375 WeakPolarHBondContact OE2-CB 3.26Å; E367-R375 WeakPolarHBondContact OE2-CG 3.5Å; E367-R375 IonicContact OE2-CZ 3.73Å; E367-R375 PolarHBondContact OE2-N 3.12Å; E367-R375 IonicContact OE2-NE 2.78Å; E367-R375 PolarHBondContact OE2-NE 3Å; E367-R375 IonicContact OE2-NH2 3.4Å; E367-R375 PolarHBondContact OE2-NH2 3.07Å; R375-F377 HydrophobicContact CB-CE1 4.46Å; R375-A385 PolarHBondContact NH1-O 3.24Å; R375-D390 IonicContact CZ-OD2 3.2Å; R375-D390 VanDerWaalsContact NH2-CG 3.34Å; R375-D390 IonicContact NH2-OD1 3.47Å; R375-D390 IonicContact NH2-OD2 3.79Å; R375-D390 PolarHBondContact NH2-OD2 3.28Å; R375-K553 PolarHBondContact O-NZ 2.96Å
376	S	88	Confident	89.1	Confident	57 Å²	57	43.6 Å²	43.6	40%	0.399	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	153.3	157.3	-72.1	0	0	0	0	107.6	K553	S376-K553 WeakPolarHBondContact OG-CE 3.46Å; S376-K553 PolarHBondContact OG-NZ 2.99Å
377	F	90.9	Very high	88.7	Confident	11 Å²	11	45.7 Å²	45.7	5%	0.048	26%	0.256	C	S	.	.			trans	-113.2	122.3	177.8	-54.7	-73.6	0	0	0	111	V345 R349 L365 E367 R375 I386 V392	V345-F377 HydrophobicContact CG1-CB 3.82Å; V345-F377 HydrophobicContact CG2-CB 4.3Å; R349-F377 PolarHBondContact NH2-O 3.49Å; R349-F377 VanDerWaalsContact NH2-O 3.08Å; L365-F377 HydrophobicContact CB-CB 4.07Å; L365-F377 HydrophobicContact CB-CD2 4.14Å; L365-F377 PolarHBondContact O-N 3.15Å; L365-F377 VanDerWaalsContact O-N 3.11Å; E367-F377 HydrophobicContact CB-CE2 3.88Å; E367-F377 HydrophobicContact CB-CZ 3.91Å; R375-F377 HydrophobicContact CB-CE1 4.46Å; F377-I386 HydrophobicContact CD1-CD1 4.24Å; F377-I386 HydrophobicContact CD1-CG1 3.95Å; F377-I386 HydrophobicContact CE1-CD1 4.25Å; F377-I386 HydrophobicContact CE1-CG1 3.56Å; F377-I386 HydrophobicContact CE2-CG1 4.45Å; F377-I386 HydrophobicContact CG-CD1 4.39Å; F377-I386 HydrophobicContact CZ-CD1 4.4Å; F377-I386 HydrophobicContact CZ-CG1 3.84Å; F377-V392 HydrophobicContact CD2-CG1 4.49Å; F377-V392 HydrophobicContact CE2-CG1 4.23Å; F377-V392 HydrophobicContact CE2-CG2 4.08Å; F377-V392 HydrophobicContact CZ-CG2 4.45Å
378	S	90.5	Very high	88.1	Confident	24 Å²	24	51.4 Å²	51.4	17%	0.168	29%	0.286	C	S	.	.			trans	-94.5	159.5	176.1	70.7	0	0	0	0	111.1	V345 D380 D381 P546	V345-S378 VanDerWaalsContact CB-O 3.23Å; V345-S378 WeakPolarHBondContact CB-O 3.44Å; V345-S378 WeakPolarHBondContact CG1-O 3.39Å; S378-D380 PolarHBondContact O-N 3.45Å; S378-D381 WeakPolarHBondContact CA-OD2 3.21Å; S378-D381 WeakPolarHBondContact CB-OD2 3.3Å; S378-D381 PolarHBondContact N-OD2 3.23Å; S378-D381 WeakPolarHBondContact O-CB 3.39Å; S378-D381 PolarHBondContact O-N 2.77Å; S378-D381 VanDerWaalsContact O-N 3.15Å; S378-D381 PolarHBondContact OG-OD2 3.13Å; S378-P546 CarbonylContact C-O 3.58Å; S378-P546 WeakPolarHBondContact CA-O 3.32Å
379	D	92.3	Very high	87.8	Confident	38 Å²	38	55.7 Å²	55.7	20%	0.203	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.3	-176	-90.9	14	0	0	0	115	S346 R349 D381 P546 G547	S346-D379 WeakPolarHBondContact CA-OD1 3.32Å; S346-D379 VanDerWaalsContact CB-OD2 3.31Å; S346-D379 WeakPolarHBondContact CB-OD2 3.48Å; R349-D379 IonicContact CZ-OD1 2.75Å; R349-D379 IonicContact NE-OD1 3.03Å; R349-D379 PolarHBondContact NE-OD1 3.39Å; R349-D379 IonicContact NE-OD2 2.74Å; R349-D379 IonicContact NH2-OD1 2.73Å; R349-D379 PolarHBondContact NH2-OD1 3.31Å; D379-D381 VanDerWaalsContact C-N 3.35Å; D379-P546 PolarHBondContact N-O 2.59Å; D379-G547 WeakPolarHBondContact OD2-CA 3.41Å
380	D	89.8	Confident	87.9	Confident	135 Å²	135	53.3 Å²	53.3	72%	0.722	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-9.1	175.8	-53.6	-37.8	0	0	0	112.9	S378 P546	S378-D380 PolarHBondContact O-N 3.45Å; D380-P546 WeakPolarHBondContact OD2-CG 3.37Å
381	D	89.9	Confident	88.2	Confident	56 Å²	56	52.7 Å²	52.7	30%	0.299	30%	0.301	S	S	.	.	S	Bend	trans	-74.7	140.9	178.4	-72.1	-65	0	0	0	111.8	V345 S378 D379	V345-D381 HydrophobicContact CB-CB 4.27Å; V345-D381 WeakPolarHBondContact CB-O 3.34Å; V345-D381 HydrophobicContact CG2-CB 3.83Å; V345-D381 WeakPolarHBondContact CG2-O 3.32Å; V345-D381 PolarHBondContact N-O 3.37Å; S378-D381 WeakPolarHBondContact CA-OD2 3.21Å; S378-D381 WeakPolarHBondContact CB-OD2 3.3Å; S378-D381 PolarHBondContact N-OD2 3.23Å; S378-D381 WeakPolarHBondContact O-CB 3.39Å; S378-D381 PolarHBondContact O-N 2.77Å; S378-D381 VanDerWaalsContact O-N 3.15Å; S378-D381 PolarHBondContact OG-OD2 3.13Å; D379-D381 VanDerWaalsContact C-N 3.35Å
382	D	88.8	Confident	88.6	Confident	92 Å²	92	49.9 Å²	49.9	49%	0.492	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	-64.2	142.2	170.2	-76.4	-40.5	0	0	0	112	T384 A385	D382-T384 PolarHBondContact O-N 3.45Å; D382-A385 VanDerWaalsContact O-CB 3.28Å; D382-A385 WeakPolarHBondContact O-CB 3.43Å; D382-A385 PolarHBondContact O-N 2.73Å
383	L	88.8	Confident	88.8	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-58.6	-17.4	164.8	-68.1	176.6	0	0	0	113.2	R317 P340 G343 S344 V345 L348 A385 I386	R317-L383 PolarHBondContact NH2-O 3.5Å; P340-L383 HydrophobicContact CB-CD1 4.08Å; P340-L383 HydrophobicContact CG-CD1 4.33Å; G343-L383 WeakPolarHBondContact O-CB 3.43Å; G343-L383 VanDerWaalsContact O-CG 3.32Å; G343-L383 WeakPolarHBondContact O-CG 3.44Å; G343-L383 PolarHBondContact O-N 3.03Å; S344-L383 WeakPolarHBondContact O-CD2 3.2Å; S344-L383 WeakPolarHBondContact O-CG 3.44Å; V345-L383 HydrophobicContact CG2-CD2 4.39Å; L348-L383 HydrophobicContact CB-CD2 3.49Å; L348-L383 VanDerWaalsContact CB-CD2 3.49Å; L348-L383 HydrophobicContact CD2-CD2 4.23Å; L348-L383 HydrophobicContact CG-CD2 4.47Å; L383-A385 VanDerWaalsContact C-N 3.28Å; L383-I386 PolarHBondContact O-N 3.45Å
384	T	84.8	Confident	89.1	Confident	46 Å²	46	49.5 Å²	49.5	28%	0.282	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-78.3	-9.8	174.9	81.4	0	0	0	0	113.9	D382 I386 R652	D382-T384 PolarHBondContact O-N 3.45Å; T384-I386 VanDerWaalsContact C-N 3.28Å; T384-R652 PolarHBondContact OG1-NH1 3.43Å; T384-R652 PolarHBondContact OG1-NH2 2.83Å
385	A	86.8	Confident	89.4	Confident	40 Å²	40	44.7 Å²	44.7	33%	0.331	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-76	-16.5	171	0	0	0	0	0	112.6	R375 D382 L383	R375-A385 PolarHBondContact NH1-O 3.24Å; D382-A385 VanDerWaalsContact O-CB 3.28Å; D382-A385 WeakPolarHBondContact O-CB 3.43Å; D382-A385 PolarHBondContact O-N 2.73Å; L383-A385 VanDerWaalsContact C-N 3.28Å
386	I	90	Very high	89.7	Confident	2 Å²	2	41.4 Å²	41.4	1%	0.01	25%	0.248	C	C	.	.	S	Bend	trans	-98.7	110.4	176.8	-60.2	171.1	0	0	0	108.2	R317 L319 V345 L348 F377 L383 T384 D390 V392	R317-I386 VanDerWaalsContact CZ-O 3.23Å; R317-I386 PolarHBondContact NH1-O 2.91Å; R317-I386 PolarHBondContact NH2-O 3.08Å; L319-I386 HydrophobicContact CD1-CG2 3.82Å; L319-I386 HydrophobicContact CD2-CG2 4.1Å; V345-I386 HydrophobicContact CG2-CD1 4.08Å; L348-I386 HydrophobicContact CD2-CD1 3.54Å; F377-I386 HydrophobicContact CD1-CD1 4.24Å; F377-I386 HydrophobicContact CD1-CG1 3.95Å; F377-I386 HydrophobicContact CE1-CD1 4.25Å; F377-I386 HydrophobicContact CE1-CG1 3.56Å; F377-I386 HydrophobicContact CE2-CG1 4.45Å; F377-I386 HydrophobicContact CG-CD1 4.39Å; F377-I386 HydrophobicContact CZ-CD1 4.4Å; F377-I386 HydrophobicContact CZ-CG1 3.84Å; L383-I386 PolarHBondContact O-N 3.45Å; T384-I386 VanDerWaalsContact C-N 3.28Å; I386-D390 WeakPolarHBondContact CA-OD2 3.47Å; I386-D390 HydrophobicContact CG2-CB 4.1Å; I386-V392 HydrophobicContact CG2-CG2 3.74Å
387	A	86.1	Confident	89.8	Confident	44 Å²	44	38.8 Å²	38.8	36%	0.364	23%	0.23	S	C	.	.			trans	-76.1	164.4	174	0	0	0	0	0	112	S389 D390	A387-S389 PolarHBondContact O-N 2.95Å; A387-S389 VanDerWaalsContact O-N 3.17Å; A387-D390 VanDerWaalsContact N-CG 3.32Å; A387-D390 PolarHBondContact N-OD2 2.77Å; A387-D390 WeakPolarHBondContact O-CB 3.34Å; A387-D390 PolarHBondContact O-N 3.44Å; A387-D390 VanDerWaalsContact O-N 3.14Å
388	D	80.3	Confident	89.5	Confident	128 Å²	128	40.2 Å²	40.2	68%	0.684	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-12.7	177.7	-59	-24.7	0	0	0	112.9	R317	R317-D388 WeakPolarHBondContact CD-OD1 3.34Å; R317-D388 IonicContact CZ-OD1 2.66Å; R317-D388 IonicContact NE-OD1 2.68Å; R317-D388 IonicContact NH1-OD1 3.38Å; R317-D388 PolarHBondContact NH1-OD1 3.02Å
389	S	83.9	Confident	88.9	Confident	90 Å²	90	43.5 Å²	43.5	63%	0.629	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-8.8	175.4	52.4	0	0	0	0	114.5	A387	A387-S389 PolarHBondContact O-N 2.95Å; A387-S389 VanDerWaalsContact O-N 3.17Å
390	D	90.8	Very high	87.6	Confident	17 Å²	17	46.3 Å²	46.3	9%	0.091	28%	0.276	C	S	.	.			trans	-80.3	126.5	-166.6	-67	-2.4	0	0	0	111.3	Y369 R375 I386 A387 V392	Y369-D390 PolarHBondContact OH-OD1 2.91Å; R375-D390 IonicContact CZ-OD2 3.2Å; R375-D390 VanDerWaalsContact NH2-CG 3.34Å; R375-D390 IonicContact NH2-OD1 3.47Å; R375-D390 IonicContact NH2-OD2 3.79Å; R375-D390 PolarHBondContact NH2-OD2 3.28Å; I386-D390 WeakPolarHBondContact CA-OD2 3.47Å; I386-D390 HydrophobicContact CG2-CB 4.1Å; A387-D390 VanDerWaalsContact N-CG 3.32Å; A387-D390 PolarHBondContact N-OD2 2.77Å; A387-D390 WeakPolarHBondContact O-CB 3.34Å; A387-D390 PolarHBondContact O-N 3.44Å; A387-D390 VanDerWaalsContact O-N 3.14Å; D390-V392 HydrophobicContact CB-CG2 4.34Å; D390-V392 PolarHBondContact O-N 2.96Å
391	V	91.4	Very high	85.6	Confident	55 Å²	55	46 Å²	46	33%	0.333	29%	0.285	S	S	.	.			trans	-83.3	85.5	-178.3	-173.4	0	0	0	0	109.4	L368 Y369 Y393	L368-V391 PolarHBondContact N-O 3.13Å; L368-V391 VanDerWaalsContact N-O 3.11Å; L368-V391 WeakPolarHBondContact O-CB 3.32Å; L368-V391 WeakPolarHBondContact O-CG1 3.45Å; Y369-V391 HydrophobicContact CD1-CB 4.21Å; Y369-V391 HydrophobicContact CD1-CG2 3.78Å; Y369-V391 HydrophobicContact CE1-CB 4.15Å; Y369-V391 HydrophobicContact CE1-CG2 3.67Å; V391-Y393 HydrophobicContact CG1-CD2 4.1Å; V391-Y393 HydrophobicContact CG1-CE2 3.65Å
392	V	94.8	Very high	83.4	Confident	2 Å²	2	48.3 Å²	48.3	1%	0.012	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123.2	-178.5	-173.9	0	0	0	0	111.2	V321 T322 L365 F377 I386 D390	V321-V392 HydrophobicContact CG1-CG1 4.22Å; V321-V392 HydrophobicContact CG2-CB 4.45Å; V321-V392 HydrophobicContact CG2-CG1 4.41Å; T322-V392 PolarHBondContact N-O 3.23Å; L365-V392 HydrophobicContact CD2-CG1 4.39Å; F377-V392 HydrophobicContact CD2-CG1 4.49Å; F377-V392 HydrophobicContact CE2-CG1 4.23Å; F377-V392 HydrophobicContact CE2-CG2 4.08Å; F377-V392 HydrophobicContact CZ-CG2 4.45Å; I386-V392 HydrophobicContact CG2-CG2 3.74Å; D390-V392 HydrophobicContact CB-CG2 4.34Å; D390-V392 PolarHBondContact O-N 2.96Å
393	Y	94.1	Very high	80.9	Confident	6 Å²	6	55 Å²	55	2%	0.024	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	143.4	169.9	-79	-104.6	0	0	0	110.8	T322 V324 L365 S366 L368 V391 F395 R467 P471 E573	T322-Y393 HydrophobicContact CG2-CD1 3.64Å; T322-Y393 HydrophobicContact CG2-CE1 3.48Å; T322-Y393 VanDerWaalsContact CG2-CE1 3.48Å; T322-Y393 CarbonylContact O-C 3.4Å; T322-Y393 WeakPolarHBondContact O-CA 3.14Å; V324-Y393 HydrophobicContact CG2-CD1 3.67Å; V324-Y393 HydrophobicContact CG2-CE1 4.32Å; L365-Y393 WeakPolarHBondContact CA-O 3.42Å; S366-Y393 PolarHBondContact N-O 3.39Å; S366-Y393 PolarHBondContact O-N 2.83Å; L368-Y393 HydrophobicContact CB-CD2 3.69Å; L368-Y393 HydrophobicContact CB-CE2 3.97Å; L368-Y393 HydrophobicContact CB-CG 4.46Å; L368-Y393 HydrophobicContact CD2-CD1 4.46Å; L368-Y393 HydrophobicContact CD2-CD2 3.96Å; L368-Y393 HydrophobicContact CD2-CE1 4.41Å; L368-Y393 HydrophobicContact CD2-CE2 3.87Å; L368-Y393 HydrophobicContact CD2-CG 4.23Å; L368-Y393 HydrophobicContact CG-CD2 4.16Å; L368-Y393 HydrophobicContact CG-CE2 4Å; V391-Y393 HydrophobicContact CG1-CD2 4.1Å; V391-Y393 HydrophobicContact CG1-CE2 3.65Å; Y393-F395 HydrophobicContact CD1-CZ 4.37Å; Y393-F395 HydrophobicContact CG-CE2 4.47Å; Y393-F395 HydrophobicContact CG-CZ 4.42Å; Y393-R467 PolarHBondContact OH-NH1 3.16Å; Y393-R467 PolarHBondContact OH-NH2 2.78Å; Y393-P471 HydrophobicContact CD1-CG 3.92Å; Y393-P471 HydrophobicContact CE1-CG 3.68Å; Y393-E573 PolarHBondContact OH-OE2 2.82Å
394	A	94.7	Very high	78.3	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	101.4	178.8	0	0	0	0	0	110.2	V321 T322 L323 V324 V352 V363 I364 L365	V321-A394 HydrophobicContact CG1-CB 3.62Å; T322-A394 PolarHBondContact O-N 2.71Å; L323-A394 WeakPolarHBondContact CA-O 3.34Å; L323-A394 HydrophobicContact CD2-CB 4.02Å; V324-A394 PolarHBondContact N-O 3.27Å; V352-A394 HydrophobicContact CG1-CB 3.44Å; V352-A394 VanDerWaalsContact CG1-CB 3.44Å; V363-A394 HydrophobicContact CG1-CB 4.19Å; I364-A394 WeakPolarHBondContact O-CA 3.21Å; L365-A394 HydrophobicContact CD2-CB 3.78Å
395	F	93.2	Very high	75.7	Confident	0 Å²	0	60.4 Å²	60.4	0%	0	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	128.3	-177.7	-59.9	-97.1	0	0	0	111.1	V324 I364 L368 F373 Y393 A397 L454 P471 L473	V324-F395 HydrophobicContact CB-CD1 3.66Å; V324-F395 HydrophobicContact CB-CE1 4.07Å; V324-F395 HydrophobicContact CB-CG 4.24Å; V324-F395 HydrophobicContact CG1-CD1 3.71Å; V324-F395 HydrophobicContact CG1-CE1 4.03Å; V324-F395 HydrophobicContact CG2-CD1 3.87Å; V324-F395 HydrophobicContact CG2-CE1 3.79Å; V324-F395 HydrophobicContact CG2-CG 4.45Å; V324-F395 HydrophobicContact CG2-CZ 4.31Å; I364-F395 HydrophobicContact CB-CB 4.28Å; I364-F395 PolarHBondContact N-O 2.69Å; I364-F395 PolarHBondContact O-N 3.46Å; L368-F395 HydrophobicContact CD2-CZ 4.47Å; F373-F395 HydrophobicContact CE1-CE2 4.25Å; F373-F395 HydrophobicContact CE1-CZ 4.1Å; Y393-F395 HydrophobicContact CD1-CZ 4.37Å; Y393-F395 HydrophobicContact CG-CE2 4.47Å; Y393-F395 HydrophobicContact CG-CZ 4.42Å; F395-A397 PolarHBondContact O-N 3.49Å; F395-L454 HydrophobicContact CB-CD2 4.32Å; F395-L454 HydrophobicContact CB-CG 4.5Å; F395-L454 HydrophobicContact CD1-CD2 4.41Å; F395-L454 HydrophobicContact CD1-CG 4.29Å; F395-L454 HydrophobicContact CD2-CD2 3.49Å; F395-L454 VanDerWaalsContact CD2-CD2 3.49Å; F395-L454 HydrophobicContact CD2-CG 4.24Å; F395-L454 HydrophobicContact CE2-CD2 3.84Å; F395-L454 HydrophobicContact CG-CD2 3.82Å; F395-L454 HydrophobicContact CG-CG 4.09Å; F395-L454 HydrophobicContact CZ-CD2 4.44Å; F395-P471 HydrophobicContact CE1-CB 3.77Å; F395-P471 HydrophobicContact CE1-CG 3.81Å; F395-P471 HydrophobicContact CZ-CB 3.84Å; F395-P471 HydrophobicContact CZ-CG 3.86Å; F395-L473 HydrophobicContact CB-CD1 4.13Å
396	Q	93.2	Very high	73.3	Confident	26 Å²	26	64.2 Å²	64.2	12%	0.121	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	109.6	169	-175	-162.6	29.5	0	0	109.8	V324 S326 I358	V324-Q396 WeakPolarHBondContact O-CB 3.41Å; V324-Q396 PolarHBondContact O-N 2.72Å; S326-Q396 PolarHBondContact OG-OE1 2.98Å; I358-Q396 HydrophobicContact CD1-CB 4.33Å; I358-Q396 HydrophobicContact CD1-CG 4.46Å; I358-Q396 HydrophobicContact CG2-CG 4.01Å
397	A	90.2	Very high	70.4	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.008	44%	0.44	C	S	.	.	P	Polyproline II helix	trans	-71.7	151.5	165.1	0	0	0	0	0	111.2	Q362 I364 F395 L452 P549	Q362-A397 WeakPolarHBondContact O-CB 3.13Å; Q362-A397 PolarHBondContact O-N 3.47Å; I364-A397 HydrophobicContact CD1-CB 4.35Å; F395-A397 PolarHBondContact O-N 3.49Å; A397-L452 HydrophobicContact CB-CD2 3.72Å; A397-P549 HydrophobicContact CB-CB 4.37Å; A397-P549 HydrophobicContact CB-CG 3.81Å
398	P	85.8	Confident	68.1	Low	42 Å²	42	71.6 Å²	71.6	27%	0.273	46%	0.463	S	S	.	.	P	Polyproline II helix	trans	-57.9	147.8	168.1	-22.4	33.7	0	0	0	111.3	N400 L473	P398-N400 PolarHBondContact O-N 3.11Å; P398-L473 HydrophobicContact CG-CD2 4.37Å
399	P	78.5	Confident	65.8	Low	93 Å²	93	73.9 Å²	73.9	60%	0.604	47%	0.469	S	S	*	.	P	Polyproline II helix	trans	-60.7	128.1	175.4	25.1	-33.9	0	0	0	110.8	S401	P399-S401 PolarHBondContact O-N 3.05Å
400	N	63.4	Low	63.3	Low	96 Å²	96	75.1 Å²	75.1	51%	0.513	48%	0.478	S	S	.	.			trans	-67.2	114.4	177.2	-67.5	-51.1	0	0	0	109.8	P398 S402	P398-N400 PolarHBondContact O-N 3.11Å; N400-S402 PolarHBondContact O-N 2.92Å
401	S	48.2	Very low	60.3	Low	129 Å²	129	77.7 Å²	77.7	90%	0.902	51%	0.508	S	S	*	.			trans	-71.3	12	178.8	58.7	0	0	0	0	114.2	P399	P399-S401 PolarHBondContact O-N 3.05Å
402	S	42.9	Very low	57.4	Low	104 Å²	104	84.1 Å²	84.1	73%	0.727	53%	0.528	S	S	*	.			trans	-103.7	51.6	-173.1	63.2	0	0	0	0	112.8	N400	N400-S402 PolarHBondContact O-N 2.92Å
403	R	37.1	Very low	54.3	Low	234 Å²	234	91 Å²	91	88%	0.883	56%	0.559	S	S	*	*			trans	-138.9	112.5	161.7	-156.5	177	-165	-159	3.8	109.9	G405	R403-G405 VanDerWaalsContact C-N 3.26Å; R403-G405 PolarHBondContact O-N 3.08Å
404	G	35	Very low	51.3	Low	92 Å²	92	98.9 Å²	98.9	95%	0.948	60%	0.596	S	S	*	*			trans	-70.8	77.3	178.2	0	0	0	0	0	112.2
405	G	28.7	Very low	48.2	Very low	67 Å²	67	104.1 Å²	104.1	69%	0.691	63%	0.633	S	S	*	*			trans	-86.8	121.9	163.4	0	0	0	0	0	109.6	R403 A407	R403-G405 VanDerWaalsContact C-N 3.26Å; R403-G405 PolarHBondContact O-N 3.08Å; G405-A407 PolarHBondContact O-N 2.93Å
406	S	36.6	Very low	45.1	Very low	120 Å²	120	112 Å²	112	84%	0.839	67%	0.674	S	S	*	*			trans	-66.6	113.3	177	32	0	0	0	0	111.1	P408	S406-P408 WeakPolarHBondContact O-CD 3.44Å
407	A	29.1	Very low	42.5	Very low	71 Å²	71	116 Å²	116	59%	0.587	70%	0.703	S	S	*	*			trans	-71.5	120.6	170.9	0	0	0	0	0	109.9	G405 H409	G405-A407 PolarHBondContact O-N 2.93Å; A407-H409 PolarHBondContact O-N 3.46Å; A407-H409 PolarHBondContact O-ND1 3.02Å
408	P	38.8	Very low	39.4	Very low	130 Å²	130	121.4 Å²	121.4	84%	0.844	74%	0.74	S	S	*	*			trans	-75.4	95.7	-174.6	30.2	-34.6	0	0	0	111.2	S406 S410	S406-P408 WeakPolarHBondContact O-CD 3.44Å; P408-S410 PolarHBondContact O-N 2.82Å
409	H	30.9	Very low	36.7	Very low	177 Å²	177	124.3 Å²	124.3	82%	0.819	76%	0.761	S	S	*	*			trans	-80.5	108.8	170.1	-80.8	72.2	0	0	0	110.4	A407	A407-H409 PolarHBondContact O-N 3.46Å; A407-H409 PolarHBondContact O-ND1 3.02Å
410	S	31.8	Very low	34.9	Very low	116 Å²	116	125.1 Å²	125.1	81%	0.811	77%	0.767	S	S	*	*			trans	-74.7	130	163.5	-176.6	0	0	0	0	109.3	P408	P408-S410 PolarHBondContact O-N 2.82Å
411	G	28.4	Very low	33.2	Very low	71 Å²	71	130.9 Å²	130.9	73%	0.732	78%	0.783	S	S	*	*			trans	-178.8	46.7	-169.4	0	0	0	0	0	117.6
412	Y	29.5	Very low	32.3	Very low	190 Å²	190	129.9 Å²	129.9	75%	0.745	78%	0.776	S	S	*	*			trans	25.2	112.8	157.2	-85.5	-103	0	0	0	122.3
413	H	30.6	Very low	31.6	Very low	145 Å²	145	129.4 Å²	129.4	67%	0.671	77%	0.772	S	S	*	*			trans	79	156.8	130.1	-80.4	-130	0	0	0	123
414	H	30.2	Very low	31.2	Very low	172 Å²	172	123.8 Å²	123.8	80%	0.796	76%	0.764	S	S	*	*			trans	74.4	122.9	172.4	-49.9	-71.5	0	0	0	116.1
415	S	30.9	Very low	31	Very low	110 Å²	110	126 Å²	126	77%	0.769	76%	0.759	S	S	*	*			cis	-152.9	161.3	-0.4	-75.1	0	0	0	0	112.5
416	L	28.1	Very low	31	Very low	166 Å²	166	126.2 Å²	126.2	87%	0.869	76%	0.762	S	S	*	*			trans	-82.7	177.6	167.1	-69.2	172.7	0	0	0	110.7
417	P	38.3	Very low	31.2	Very low	111 Å²	111	126.1 Å²	126.1	72%	0.721	76%	0.758	S	S	*	*			cis	-143.9	-171	13.9	44.2	-24.1	0	0	0	118.2
418	S	25.4	Very low	31.2	Very low	113 Å²	113	130.6 Å²	130.6	79%	0.79	77%	0.773	S	S	*	*			trans	86.7	108.1	146.7	-62.2	0	0	0	0	122.7
419	S	28.5	Very low	30.8	Very low	103 Å²	103	128 Å²	128	72%	0.72	77%	0.77	S	S	*	*			trans	-67.8	174.1	142	-148.7	0	0	0	0	109.9
420	P	40.5	Very low	30.7	Very low	111 Å²	111	129.1 Å²	129.1	72%	0.721	78%	0.775	S	S	*	*			cis	-152.2	170.5	21.9	46	-25.1	0	0	0	120.8
421	Y	28.3	Very low	30.5	Very low	216 Å²	216	133.4 Å²	133.4	85%	0.847	78%	0.779	S	S	*	*			trans	38.8	147.7	144.3	-100.3	-93.6	0	0	0	125.8
422	S	28.5	Very low	30.6	Very low	108 Å²	108	137.8 Å²	137.8	76%	0.755	79%	0.785	S	S	*	*			trans	80	152.4	164.2	-51	0	0	0	0	115.8
423	S	29.1	Very low	31	Very low	94 Å²	94	134.3 Å²	134.3	66%	0.657	79%	0.786	S	S	*	*			cis	-144.6	133.7	14.4	66.8	0	0	0	0	111.5
424	T	27.6	Very low	30.8	Very low	117 Å²	117	131.8 Å²	131.8	72%	0.718	79%	0.79	S	S	*	*				99.2	153.8	93.9	53.6	0	0	0	0	116.6
425	T	31.7	Very low	30.8	Very low	137 Å²	137	129.7 Å²	129.7	84%	0.84	80%	0.795	S	S	*	*			trans	62.6	116.4	158.2	43.1	0	0	0	0	120.6
426	G	28.4	Very low	31.1	Very low	73 Å²	73	128.1 Å²	128.1	75%	0.753	80%	0.796	S	S	*	*			trans	-96.6	-143.8	154.3	0	0	0	0	0	111
427	P	40.8	Very low	31.2	Very low	117 Å²	117	131.9 Å²	131.9	76%	0.76	80%	0.799	S	S	*	*			cis	-131.6	-171.3	5.3	43.6	-27.8	0	0	0	114.9
428	N	29.7	Very low	31.2	Very low	166 Å²	166	135.4 Å²	135.4	89%	0.888	81%	0.81	S	S	*	*			trans	112.5	142.7	168.3	-63.9	-24.3	0	0	0	115.6
429	G	29.3	Very low	31.3	Very low	76 Å²	76	134 Å²	134	78%	0.784	80%	0.801	S	S	*	*			trans	134.1	104.6	179.9	0	0	0	0	0	112.7
430	Q	30.4	Very low	31.5	Very low	200 Å²	200	132.9 Å²	132.9	94%	0.935	79%	0.793	S	S	*	*			trans	-71.5	145	174.8	-67.9	168.8	-29.5	0	0	110.7
431	K	27	Very low	31	Very low	206 Å²	206	134.7 Å²	134.7	90%	0.896	79%	0.791	S	S	*	*			trans	-110.1	87.4	-174.6	-168.5	-179.9	178.9	178.9	0	113.9
432	L	30.9	Very low	31.3	Very low	162 Å²	162	135.1 Å²	135.1	85%	0.848	79%	0.793	S	S	*	*			trans	-142.4	163	152.5	-71.2	-178.8	0	0	0	106
433	P	36.5	Very low	31.4	Very low	118 Å²	118	136.5 Å²	136.5	77%	0.766	79%	0.791	S	S	*	*			cis	-140.1	-154	16.4	40	-18	0	0	0	114
434	A	26.4	Very low	31.4	Very low	92 Å²	92	138.6 Å²	138.6	76%	0.76	80%	0.795	S	S	*	*			trans	88	118.6	144.3	0	0	0	0	0	120.8
435	S	31.2	Very low	31.6	Very low	127 Å²	127	142.1 Å²	142.1	89%	0.888	80%	0.803	S	S	*	*			trans	-61.1	163.2	157.7	-42.9	0	0	0	0	112.7
436	G	36.8	Very low	31.6	Very low	77 Å²	77	139.8 Å²	139.8	79%	0.794	79%	0.793	S	S	*	*			trans	99.4	65.3	145.4	0	0	0	0	0	117.7
437	R	31.2	Very low	32.1	Very low	246 Å²	246	142.1 Å²	142.1	93%	0.928	80%	0.797	S	S	*	*			trans	-138.8	126.5	141.6	-101.1	178.7	-174	-179.5	1.9	110.2	S439	R437-S439 PolarHBondContact O-N 3.43Å
438	L	36.7	Very low	32.7	Very low	185 Å²	185	141 Å²	141	97%	0.969	79%	0.793	S	S	*	*			trans	-71.6	111.5	164.6	-67.7	165.2	0	0	0	106.6
439	S	27.9	Very low	34.9	Very low	84 Å²	84	135.6 Å²	135.6	59%	0.587	77%	0.768	S	S	*	*			trans	-77.7	150.1	178.4	-159.8	0	0	0	0	111.3	R437 E441	R437-S439 PolarHBondContact O-N 3.43Å; S439-E441 WeakPolarHBondContact CB-OE1 3.39Å; S439-E441 WeakPolarHBondContact CB-OE2 3.44Å; S439-E441 PolarHBondContact O-N 3.32Å; S439-E441 VanDerWaalsContact O-N 3.11Å; S439-E441 PolarHBondContact OG-OE1 3.21Å
440	S	33	Very low	37.6	Very low	79 Å²	79	137.3 Å²	137.3	55%	0.552	75%	0.754	S	S	*	*	G	3₁₀ helix	trans	-85.7	28.4	-164.5	-170.8	0	0	0	0	114.4	Y442	S440-Y442 VanDerWaalsContact C-N 3.26Å; S440-Y442 PolarHBondContact O-N 3.03Å
441	E	29.8	Very low	40.4	Very low	148 Å²	148	128.2 Å²	128.2	69%	0.692	71%	0.712	S	S	*	*	G	3₁₀ helix	trans	-71.5	-16.5	178.9	-70.4	89.5	-106.3	0	0	113.7	S439 L443	S439-E441 WeakPolarHBondContact CB-OE1 3.39Å; S439-E441 WeakPolarHBondContact CB-OE2 3.44Å; S439-E441 PolarHBondContact O-N 3.32Å; S439-E441 VanDerWaalsContact O-N 3.11Å; S439-E441 PolarHBondContact OG-OE1 3.21Å; E441-L443 VanDerWaalsContact C-N 3.3Å; E441-L443 PolarHBondContact O-N 3.07Å
442	Y	35.2	Very low	43.5	Very low	225 Å²	225	119 Å²	119	88%	0.882	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-82.4	7.7	-178.7	-110	-84.6	0	0	0	115.7	S440	S440-Y442 VanDerWaalsContact C-N 3.26Å; S440-Y442 PolarHBondContact O-N 3.03Å
443	L	30.9	Very low	46.4	Very low	137 Å²	137	111.3 Å²	111.3	72%	0.717	63%	0.632	S	S	*	*	G	3₁₀ helix	trans	-111.3	2.2	-177.1	-77.5	172.4	0	0	0	115.5	E441	E441-L443 VanDerWaalsContact C-N 3.3Å; E441-L443 PolarHBondContact O-N 3.07Å
444	N	29.1	Very low	49.1	Very low	138 Å²	138	105.7 Å²	105.7	74%	0.738	60%	0.595	S	S	*	*			trans	-113.7	40.2	-179.9	-79	-29.8	0	0	0	114.3
445	Q	31.3	Very low	52.3	Low	191 Å²	191	101.3 Å²	101.3	89%	0.893	56%	0.559	S	S	*	*			trans	-93.6	41.7	160.2	-74.9	-165.2	-9.5	0	0	112.1	S447	Q445-S447 PolarHBondContact O-N 2.88Å
446	S	30.9	Very low	55.2	Low	89 Å²	89	95.2 Å²	95.2	62%	0.622	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	69.7	-176.6	39.3	0	0	0	0	112.5
447	S	39.9	Very low	57.8	Low	121 Å²	121	91.7 Å²	91.7	85%	0.846	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-178.7	43.5	156.7	40.8	0	0	0	0	116.7	Q445	Q445-S447 PolarHBondContact O-N 2.88Å
448	S	52.9	Low	60.7	Low	95 Å²	95	80 Å²	80	66%	0.664	44%	0.435	S	S	*	.			trans	-130.6	79.2	139.6	-170.6	0	0	0	0	110.2	K450	S448-K450 PolarHBondContact O-N 3.1Å; S448-K450 PolarHBondContact OG-O 2.91Å
449	S	74.9	Confident	63.3	Low	52 Å²	52	72.1 Å²	72.1	36%	0.364	40%	0.395	S	S	.	.			trans	-66.3	-3.9	162.6	54.3	0	0	0	0	112.5	D477 R478	S449-D477 WeakPolarHBondContact CB-OD2 3.18Å; S449-D477 CarbonylContact O-C 3.56Å; S449-D477 WeakPolarHBondContact O-CA 3.47Å; S449-D477 PolarHBondContact OG-OD2 3.47Å; S449-R478 WeakPolarHBondContact O-CB 3.23Å; S449-R478 WeakPolarHBondContact O-CG 3.37Å; S449-R478 PolarHBondContact O-N 2.75Å
450	K	86.6	Confident	66	Low	111 Å²	111	69.2 Å²	69.2	48%	0.483	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	147.1	-176.7	-56.6	-171.2	-177.2	-173.8	0	113.1	S448 L475 E476	S448-K450 PolarHBondContact O-N 3.1Å; S448-K450 PolarHBondContact OG-O 2.91Å; K450-L475 HydrophobicContact CB-CD1 3.82Å; K450-L475 HydrophobicContact CB-CG 4Å; K450-L475 HydrophobicContact CD-CD2 4.09Å; K450-L475 HydrophobicContact CD-CG 4.01Å; K450-E476 CarbonylContact C-O 3.55Å; K450-E476 WeakPolarHBondContact CA-O 3.18Å
451	V	90.1	Very high	68.2	Low	10 Å²	10	68.5 Å²	68.5	6%	0.061	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	137.8	175.3	165.2	0	0	0	0	110	L453 E476 R478 L541 V552	V451-L453 HydrophobicContact CG1-CD2 3.81Å; V451-E476 PolarHBondContact N-O 3.36Å; V451-E476 PolarHBondContact O-N 2.95Å; V451-E476 VanDerWaalsContact O-N 3.14Å; V451-R478 HydrophobicContact CB-CG 4.25Å; V451-R478 HydrophobicContact CG2-CG 3.43Å; V451-R478 VanDerWaalsContact CG2-CG 3.43Å; V451-L541 HydrophobicContact CG1-CD2 4.28Å; V451-L541 HydrophobicContact CG2-CD1 4.02Å; V451-V552 HydrophobicContact CG1-CG2 3.93Å
452	L	91.6	Very high	70.2	Confident	12 Å²	12	63.9 Å²	63.9	6%	0.063	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123.8	179	-166.7	65.3	0	0	0	110.3	I364 A397 L473 L475 P549 H551 V552	I364-L452 HydrophobicContact CD1-CD2 3.53Å; A397-L452 HydrophobicContact CB-CD2 3.72Å; L452-L473 HydrophobicContact CD1-CD1 4.03Å; L452-L473 HydrophobicContact CD1-CD2 3.79Å; L452-L473 HydrophobicContact CD1-CG 3.95Å; L452-L473 HydrophobicContact CD2-CD1 4.37Å; L452-L473 HydrophobicContact CG-CD1 4.24Å; L452-L473 HydrophobicContact CG-CG 4.48Å; L452-L475 HydrophobicContact CB-CD1 4.35Å; L452-L475 HydrophobicContact CD1-CB 4.35Å; L452-L475 HydrophobicContact CD1-CD1 4.16Å; L452-P549 HydrophobicContact CD2-CB 3.87Å; L452-H551 HydrophobicContact CB-CB 4.17Å; L452-H551 HydrophobicContact CD2-CB 4.21Å; L452-H551 HydrophobicContact CG-CB 4.29Å; L452-H551 CarbonylContact O-C 3.47Å; L452-H551 VanDerWaalsContact O-CA 3.29Å; L452-H551 WeakPolarHBondContact O-CA 3.34Å; L452-V552 PolarHBondContact O-N 2.8Å
453	L	92.6	Very high	71.8	Confident	0 Å²	0	62.4 Å²	62.4	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.3	-175.3	-55.8	-179.9	0	0	0	110.1	V451 M455 L473 M474 E476 L485 L532 V552 L554	V451-L453 HydrophobicContact CG1-CD2 3.81Å; L453-M455 HydrophobicContact CB-CG 4.28Å; L453-L473 WeakPolarHBondContact O-CA 3.48Å; L453-M474 HydrophobicContact CB-CG 3.84Å; L453-M474 HydrophobicContact CD1-CG 4.19Å; L453-M474 HydrophobicContact CG-CG 4.47Å; L453-M474 PolarHBondContact N-O 3.28Å; L453-M474 PolarHBondContact O-N 2.87Å; L453-E476 HydrophobicContact CD1-CB 4.35Å; L453-E476 HydrophobicContact CD1-CG 4.25Å; L453-L485 HydrophobicContact CD1-CD1 4.29Å; L453-L532 HydrophobicContact CD1-CD1 4.14Å; L453-L532 HydrophobicContact CD1-CD2 4.32Å; L453-L532 HydrophobicContact CD2-CD2 4.32Å; L453-V552 WeakPolarHBondContact CA-O 3.42Å; L453-V552 HydrophobicContact CD2-CB 4.02Å; L453-L554 HydrophobicContact CB-CD1 4.46Å; L453-L554 HydrophobicContact CD1-CD1 4.11Å; L453-L554 HydrophobicContact CD2-CD1 3.85Å; L453-L554 HydrophobicContact CG-CD1 4.37Å
454	L	92.8	Very high	74.1	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.4	168.1	-91.2	68.4	0	0	0	108	I364 F373 F395 L473 H551 V552 K553 L554	I364-L454 HydrophobicContact CB-CD2 4.45Å; I364-L454 HydrophobicContact CD1-CD1 3.83Å; I364-L454 HydrophobicContact CG2-CD1 4.5Å; I364-L454 HydrophobicContact CG2-CD2 3.68Å; F373-L454 HydrophobicContact CZ-CB 4.02Å; F395-L454 HydrophobicContact CB-CD2 4.32Å; F395-L454 HydrophobicContact CB-CG 4.5Å; F395-L454 HydrophobicContact CD1-CD2 4.41Å; F395-L454 HydrophobicContact CD1-CG 4.29Å; F395-L454 HydrophobicContact CD2-CD2 3.49Å; F395-L454 VanDerWaalsContact CD2-CD2 3.49Å; F395-L454 HydrophobicContact CD2-CG 4.24Å; F395-L454 HydrophobicContact CE2-CD2 3.84Å; F395-L454 HydrophobicContact CG-CD2 3.82Å; F395-L454 HydrophobicContact CG-CG 4.09Å; F395-L454 HydrophobicContact CZ-CD2 4.44Å; L454-L473 HydrophobicContact CD1-CD1 3.8Å; L454-L473 HydrophobicContact CD1-CG 4.4Å; L454-H551 HydrophobicContact CD1-CB 3.96Å; L454-V552 PolarHBondContact N-O 3.46Å; L454-K553 HydrophobicContact CB-CG 4.2Å; L454-K553 HydrophobicContact CD2-CG 4.48Å; L454-K553 CarbonylContact O-C 3.59Å; L454-K553 WeakPolarHBondContact O-CA 3.16Å; L454-L554 PolarHBondContact O-N 2.81Å
455	M	92.3	Very high	76.7	Confident	0 Å²	0	56 Å²	56	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	141.3	-171	-55.8	-156.9	86.4	0	0	112.8	L453 P471 F472 M474 I489 L554 I556	L453-M455 HydrophobicContact CB-CG 4.28Å; M455-P471 VanDerWaalsContact O-CA 3.25Å; M455-P471 WeakPolarHBondContact O-CA 3.49Å; M455-P471 WeakPolarHBondContact O-CB 3.4Å; M455-F472 HydrophobicContact CB-CD1 4.17Å; M455-F472 HydrophobicContact CB-CD2 4.35Å; M455-F472 HydrophobicContact CB-CE1 3.66Å; M455-F472 HydrophobicContact CB-CE2 3.9Å; M455-F472 HydrophobicContact CB-CG 4.47Å; M455-F472 HydrophobicContact CB-CZ 3.51Å; M455-F472 HydrophobicContact CG-CE2 4.14Å; M455-F472 HydrophobicContact CG-CZ 4.09Å; M455-F472 PolarHBondContact N-O 2.8Å; M455-F472 PolarHBondContact O-N 3.48Å; M455-F472 HydrophobicContact SD-CE2 3.88Å; M455-F472 HydrophobicContact SD-CZ 3.78Å; M455-M474 HydrophobicContact CG-SD 4.4Å; M455-M474 HydrophobicContact SD-CG 4.3Å; M455-M474 HydrophobicContact SD-SD 3.41Å; M455-I489 HydrophobicContact CE-CD1 3.86Å; M455-I489 HydrophobicContact CE-CG1 4.1Å; M455-I489 HydrophobicContact SD-CD1 4.36Å; M455-I489 HydrophobicContact SD-CG1 3.95Å; M455-L554 WeakPolarHBondContact CA-O 3.34Å; M455-L554 HydrophobicContact CE-CB 3.66Å; M455-L554 HydrophobicContact CE-CD1 3.76Å; M455-L554 HydrophobicContact CE-CG 4.35Å; M455-L554 HydrophobicContact CG-CB 4.33Å; M455-I556 HydrophobicContact CB-CD1 4.36Å; M455-I556 HydrophobicContact CE-CD1 3.57Å; M455-I556 HydrophobicContact CE-CG1 3.51Å; M455-I556 HydrophobicContact SD-CD1 4.08Å
456	C	92.6	Very high	79.5	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.5	166.6	68.9	0	0	0	0	111.4	L368 F373 P471 L554 I556	L368-C456 HydrophobicContact CD1-CB 4.28Å; F373-C456 HydrophobicContact CE2-CB 4Å; F373-C456 HydrophobicContact CZ-CB 4.28Å; C456-P471 HydrophobicContact CB-CB 4.43Å; C456-L554 PolarHBondContact N-O 3.44Å; C456-I556 PolarHBondContact O-N 3.38Å
457	N	92.3	Very high	82.4	Confident	2 Å²	2	46.3 Å²	46.3	1%	0.011	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	137.9	175	-74.5	-28	0	0	0	111.4	R467 F468 Q493 I556 W558	N457-R467 VanDerWaalsContact O-CA 3.32Å; N457-R467 WeakPolarHBondContact O-CA 3.15Å; N457-R467 WeakPolarHBondContact O-CG 3.35Å; N457-F468 HydrophobicContact CB-CD1 4.14Å; N457-F468 HydrophobicContact CB-CD2 4.43Å; N457-F468 HydrophobicContact CB-CE1 3.77Å; N457-F468 HydrophobicContact CB-CE2 4.06Å; N457-F468 HydrophobicContact CB-CG 4.47Å; N457-F468 HydrophobicContact CB-CZ 3.73Å; N457-F468 PolarHBondContact O-N 3.13Å; N457-Q493 VanDerWaalsContact ND2-CD 3.26Å; N457-Q493 PolarHBondContact ND2-NE2 3.3Å; N457-Q493 PolarHBondContact ND2-OE1 3.09Å; N457-Q493 PolarHBondContact OD1-NE2 3.1Å; N457-Q493 PolarHBondContact OD1-OE1 3.39Å; N457-I556 WeakPolarHBondContact OD1-CD1 3.49Å; N457-W558 VanDerWaalsContact CG-NE1 3.35Å; N457-W558 PolarHBondContact OD1-NE1 2.9Å
458	T	92	Very high	84.7	Confident	0 Å²	0	41 Å²	41	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.4	167.5	58.6	0	0	0	0	111.6	A465 A466 R467 V555 I556 E557 W558	T458-A465 HydrophobicContact CG2-CB 4.3Å; T458-A466 CarbonylContact C-O 3.56Å; T458-A466 VanDerWaalsContact CA-O 3.27Å; T458-A466 WeakPolarHBondContact CA-O 3.46Å; T458-R467 HydrophobicContact CG2-CB 4.48Å; T458-V555 HydrophobicContact CG2-CG1 3.81Å; T458-V555 VanDerWaalsContact OG1-CG1 3.28Å; T458-V555 WeakPolarHBondContact OG1-CG1 3.4Å; T458-I556 PolarHBondContact N-O 2.83Å; T458-E557 WeakPolarHBondContact O-CA 3.23Å; T458-W558 PolarHBondContact O-N 3.49Å
459	T	90.7	Very high	86.3	Confident	20 Å²	20	36.6 Å²	36.6	12%	0.123	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	128.4	167.1	-61.2	0	0	0	0	109.1	A465 A466 F468 H560 K563	T459-A465 WeakPolarHBondContact O-CA 3.34Å; T459-A466 PolarHBondContact N-O 2.88Å; T459-A466 PolarHBondContact O-N 2.86Å; T459-F468 WeakPolarHBondContact OG1-CD1 3.14Å; T459-F468 WeakPolarHBondContact OG1-CE1 3.46Å; T459-H560 HydrophobicContact CG2-CB 4.1Å; T459-K563 WeakPolarHBondContact OG1-CG 3.33Å
460	G	84.6	Confident	86.9	Confident	23 Å²	23	34.7 Å²	34.7	24%	0.237	20%	0.201	C	C	.	.	S	Bend	trans	76.6	-171.5	-173.4	0	0	0	0	0	113.3	W558	G460-W558 PolarHBondContact N-O 2.78Å
461	S	78.8	Confident	87.1	Confident	65 Å²	65	29.4 Å²	29.4	46%	0.455	18%	0.178	S	C	.	.	S	Bend	trans	-142	158	-173.2	65.4	0	0	0	0	112.7	Q463 Q464 E557	S461-Q463 PolarHBondContact O-N 3.2Å; S461-Q464 PolarHBondContact O-N 2.88Å; S461-Q464 VanDerWaalsContact O-N 3.16Å; S461-E557 VanDerWaalsContact CB-CD 3.48Å; S461-E557 WeakPolarHBondContact CB-OE2 3.3Å
462	G	72.3	Confident	87	Confident	50 Å²	50	29.8 Å²	29.8	52%	0.515	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	55.7	-133.9	-179.1	0	0	0	0	0	112.9	Q464 A465	G462-Q464 PolarHBondContact O-N 2.85Å; G462-Q464 VanDerWaalsContact O-N 3.1Å; G462-A465 VanDerWaalsContact O-CB 3.24Å; G462-A465 WeakPolarHBondContact O-CB 3.38Å; G462-A465 PolarHBondContact O-N 3.1Å
463	Q	69.9	Low	86.9	Confident	195 Å²	195	30.7 Å²	30.7	91%	0.911	18%	0.184	S	C	*	.	G	3₁₀ helix	trans	-68.6	-2.5	-179.9	-63.2	-66.7	-23.6	0	0	114.5	S461	S461-Q463 PolarHBondContact O-N 3.2Å
464	Q	77.9	Confident	86.7	Confident	132 Å²	132	31 Å²	31	62%	0.617	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-110.9	12.1	171.2	-63	-172.4	23.2	0	0	112.5	S461 G462	S461-Q464 PolarHBondContact O-N 2.88Å; S461-Q464 VanDerWaalsContact O-N 3.16Å; G462-Q464 PolarHBondContact O-N 2.85Å; G462-Q464 VanDerWaalsContact O-N 3.1Å
465	A	84.7	Confident	86.6	Confident	7 Å²	7	34.5 Å²	34.5	6%	0.058	20%	0.204	C	C	.	.			trans	-76.3	120.2	176.1	0	0	0	0	0	110.9	T458 T459 G462	T458-A465 HydrophobicContact CG2-CB 4.3Å; T459-A465 WeakPolarHBondContact O-CA 3.34Å; G462-A465 VanDerWaalsContact O-CB 3.24Å; G462-A465 WeakPolarHBondContact O-CB 3.38Å; G462-A465 PolarHBondContact O-N 3.1Å
466	A	89	Confident	86.7	Confident	55 Å²	55	36.2 Å²	36.2	46%	0.455	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120	173.9	0	0	0	0	0	110.5	S370 T458 T459	S370-A466 CarbonylContact O-C 3.57Å; S370-A466 WeakPolarHBondContact O-CA 3.36Å; T458-A466 CarbonylContact C-O 3.56Å; T458-A466 VanDerWaalsContact CA-O 3.27Å; T458-A466 WeakPolarHBondContact CA-O 3.46Å; T459-A466 PolarHBondContact N-O 2.88Å; T459-A466 PolarHBondContact O-N 2.86Å
467	R	91.1	Very high	86.6	Confident	23 Å²	23	38.6 Å²	38.6	9%	0.087	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	141.5	176.4	-167.9	-178.8	76.8	120.2	-26.5	110.3	S370 Y393 N457 T458 G469 E572 E573	S370-R467 WeakPolarHBondContact O-CB 3.18Å; S370-R467 PolarHBondContact O-N 2.91Å; Y393-R467 PolarHBondContact OH-NH1 3.16Å; Y393-R467 PolarHBondContact OH-NH2 2.78Å; N457-R467 VanDerWaalsContact O-CA 3.32Å; N457-R467 WeakPolarHBondContact O-CA 3.15Å; N457-R467 WeakPolarHBondContact O-CG 3.35Å; T458-R467 HydrophobicContact CG2-CB 4.48Å; R467-G469 PolarHBondContact NH1-O 2.92Å; R467-E572 IonicContact CZ-OE1 2.69Å; R467-E572 IonicContact NE-OE1 3.88Å; R467-E572 PolarHBondContact NE-OE1 3.32Å; R467-E572 IonicContact NH2-OE1 3.97Å; R467-E572 PolarHBondContact NH2-OE1 3.21Å; R467-E573 IonicContact NH1-OE2 3.45Å; R467-E573 PolarHBondContact NH1-OE2 2.89Å
468	F	89.3	Confident	86.5	Confident	8 Å²	8	41 Å²	41	4%	0.035	23%	0.233	C	C	.	.			trans	-143	145	171.2	69.4	-86.7	0	0	0	110.4	N457 T459 W558 K563 F567 I570	N457-F468 HydrophobicContact CB-CD1 4.14Å; N457-F468 HydrophobicContact CB-CD2 4.43Å; N457-F468 HydrophobicContact CB-CE1 3.77Å; N457-F468 HydrophobicContact CB-CE2 4.06Å; N457-F468 HydrophobicContact CB-CG 4.47Å; N457-F468 HydrophobicContact CB-CZ 3.73Å; N457-F468 PolarHBondContact O-N 3.13Å; T459-F468 WeakPolarHBondContact OG1-CD1 3.14Å; T459-F468 WeakPolarHBondContact OG1-CE1 3.46Å; F468-W558 HydrophobicContact CE1-CB 4.2Å; F468-W558 AromaticContact CE1-CD1 3.58Å; F468-W558 HydrophobicContact CE1-CG 4.01Å; F468-W558 HydrophobicContact CZ-CB 4.32Å; F468-W558 AromaticContact CZ-CD1 3.47Å; F468-W558 VanDerWaalsContact CZ-CD1 3.47Å; F468-W558 HydrophobicContact CZ-CD2 4.32Å; F468-W558 AromaticContact CZ-CG 3.8Å; F468-W558 HydrophobicContact CZ-CG 3.8Å; F468-W558 AromaticContact CZ-NE1 3.79Å; F468-K563 HydrophobicContact CD1-CG 4.14Å; F468-K563 HydrophobicContact CD2-CG 4.22Å; F468-K563 HydrophobicContact CE1-CB 4.35Å; F468-K563 HydrophobicContact CE1-CG 3.83Å; F468-K563 HydrophobicContact CE2-CG 3.95Å; F468-K563 HydrophobicContact CG-CG 4.31Å; F468-K563 HydrophobicContact CZ-CB 4.23Å; F468-K563 HydrophobicContact CZ-CG 3.73Å; F468-F567 HydrophobicContact CE2-CB 4.08Å; F468-F567 HydrophobicContact CE2-CD1 4.42Å; F468-F567 AromaticContact CE2-CD2 3.52Å; F468-F567 HydrophobicContact CE2-CD2 3.52Å; F468-F567 AromaticContact CE2-CE2 4Å; F468-F567 HydrophobicContact CE2-CE2 4Å; F468-F567 AromaticContact CE2-CG 3.76Å; F468-F567 HydrophobicContact CE2-CG 3.76Å; F468-F567 AromaticContact CZ-CD2 3.88Å; F468-F567 HydrophobicContact CZ-CD2 3.88Å; F468-F567 HydrophobicContact CZ-CE2 4.13Å; F468-I570 HydrophobicContact CD2-CG2 4.41Å
469	G	86.6	Confident	86.5	Confident	4 Å²	4	44.8 Å²	44.8	4%	0.041	25%	0.253	C	S	.	.	S	Bend	trans	64.6	179.9	-173.2	0	0	0	0	0	114	R467 H571	R467-G469 PolarHBondContact NH1-O 2.92Å; G469-H571 PolarHBondContact N-O 2.9Å; G469-H571 VanDerWaalsContact N-O 3.11Å
470	P	86.8	Confident	86.5	Confident	11 Å²	11	44.4 Å²	44.4	7%	0.071	25%	0.251	C	S	.	.			trans	-82.1	157.6	-175.3	34.2	-36.8	0	0	0	112.7	Y332 Y495 L496 E573	Y332-P470 HydrophobicContact CD2-CB 4.45Å; Y332-P470 HydrophobicContact CE1-CB 3.88Å; Y332-P470 HydrophobicContact CE2-CB 3.7Å; Y332-P470 HydrophobicContact CE2-CG 3.98Å; Y332-P470 WeakPolarHBondContact OH-CB 3.25Å; P470-Y495 VanDerWaalsContact CG-OH 3.23Å; P470-Y495 WeakPolarHBondContact CG-OH 3.46Å; P470-L496 HydrophobicContact CG-CD1 4.39Å; P470-E573 WeakPolarHBondContact CA-OE2 3.3Å; P470-E573 HydrophobicContact CB-CB 4.25Å; P470-E573 HydrophobicContact CB-CG 3.85Å
471	P	90.5	Very high	86.9	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.248	C	C	.	.			trans	-77.4	158.3	167.9	38.4	-34.8	0	0	0	109.7	V324 Y332 L368 Y393 F395 M455 C456 E573	V324-P471 HydrophobicContact CG2-CG 4.4Å; Y332-P471 WeakPolarHBondContact CE1-O 3.14Å; Y332-P471 PolarHBondContact OH-O 2.97Å; L368-P471 HydrophobicContact CD2-CB 3.64Å; L368-P471 HydrophobicContact CD2-CG 3.67Å; Y393-P471 HydrophobicContact CD1-CG 3.92Å; Y393-P471 HydrophobicContact CE1-CG 3.68Å; F395-P471 HydrophobicContact CE1-CB 3.77Å; F395-P471 HydrophobicContact CE1-CG 3.81Å; F395-P471 HydrophobicContact CZ-CB 3.84Å; F395-P471 HydrophobicContact CZ-CG 3.86Å; M455-P471 VanDerWaalsContact O-CA 3.25Å; M455-P471 WeakPolarHBondContact O-CA 3.49Å; M455-P471 WeakPolarHBondContact O-CB 3.4Å; C456-P471 HydrophobicContact CB-CB 4.43Å; P471-E573 WeakPolarHBondContact CD-OE2 3.46Å
472	F	88.2	Confident	87.4	Confident	19 Å²	19	42.3 Å²	42.3	8%	0.083	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	166.8	179.9	64.7	-79.5	0	0	0	111.2	M455 M474 Q492 Q493 I556	M455-F472 HydrophobicContact CB-CD1 4.17Å; M455-F472 HydrophobicContact CB-CD2 4.35Å; M455-F472 HydrophobicContact CB-CE1 3.66Å; M455-F472 HydrophobicContact CB-CE2 3.9Å; M455-F472 HydrophobicContact CB-CG 4.47Å; M455-F472 HydrophobicContact CB-CZ 3.51Å; M455-F472 HydrophobicContact CG-CE2 4.14Å; M455-F472 HydrophobicContact CG-CZ 4.09Å; M455-F472 PolarHBondContact N-O 2.8Å; M455-F472 PolarHBondContact O-N 3.48Å; M455-F472 HydrophobicContact SD-CE2 3.88Å; M455-F472 HydrophobicContact SD-CZ 3.78Å; F472-M474 HydrophobicContact CE2-SD 3.74Å; F472-Q492 HydrophobicContact CD2-CB 3.93Å; F472-Q492 HydrophobicContact CD2-CG 4.31Å; F472-Q492 HydrophobicContact CE2-CB 3.79Å; F472-Q492 HydrophobicContact CE2-CG 4.2Å; F472-Q493 HydrophobicContact CE1-CG 3.99Å; F472-Q493 HydrophobicContact CZ-CG 4.1Å; F472-Q493 VanDerWaalsContact CZ-NE2 3.31Å; F472-I556 HydrophobicContact CE1-CD1 4.24Å; F472-I556 HydrophobicContact CZ-CD1 3.96Å
473	L	89.9	Confident	88.2	Confident	30 Å²	30	45.2 Å²	45.2	16%	0.157	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.3	-177.6	173.5	151.5	0	0	0	109.1	F395 P398 L452 L453 L454	F395-L473 HydrophobicContact CB-CD1 4.13Å; P398-L473 HydrophobicContact CG-CD2 4.37Å; L452-L473 HydrophobicContact CD1-CD1 4.03Å; L452-L473 HydrophobicContact CD1-CD2 3.79Å; L452-L473 HydrophobicContact CD1-CG 3.95Å; L452-L473 HydrophobicContact CD2-CD1 4.37Å; L452-L473 HydrophobicContact CG-CD1 4.24Å; L452-L473 HydrophobicContact CG-CG 4.48Å; L453-L473 WeakPolarHBondContact O-CA 3.48Å; L454-L473 HydrophobicContact CD1-CD1 3.8Å; L454-L473 HydrophobicContact CD1-CG 4.4Å
474	M	89.1	Confident	89.1	Confident	7 Å²	7	40.9 Å²	40.9	3%	0.034	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	161.2	176.1	63	-165.2	-67.5	0	0	111.3	L453 M455 F472 E476 S488 I489 Q492	L453-M474 HydrophobicContact CB-CG 3.84Å; L453-M474 HydrophobicContact CD1-CG 4.19Å; L453-M474 HydrophobicContact CG-CG 4.47Å; L453-M474 PolarHBondContact N-O 3.28Å; L453-M474 PolarHBondContact O-N 2.87Å; M455-M474 HydrophobicContact CG-SD 4.4Å; M455-M474 HydrophobicContact SD-CG 4.3Å; M455-M474 HydrophobicContact SD-SD 3.41Å; F472-M474 HydrophobicContact CE2-SD 3.74Å; M474-E476 HydrophobicContact CE-CG 3.67Å; M474-E476 WeakPolarHBondContact CE-OE1 3.49Å; M474-E476 HydrophobicContact CG-CG 4.49Å; M474-S488 WeakPolarHBondContact CE-OG 3.41Å; M474-I489 HydrophobicContact CE-CG1 4.26Å; M474-I489 HydrophobicContact SD-CG1 4.17Å; M474-Q492 HydrophobicContact CE-CG 4.39Å; M474-Q492 HydrophobicContact SD-CG 4.45Å
475	L	90.5	Very high	89.8	Confident	74 Å²	74	34.7 Å²	34.7	39%	0.387	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	103.9	-174.6	178	71.6	0	0	0	109.4	K450 L452	K450-L475 HydrophobicContact CB-CD1 3.82Å; K450-L475 HydrophobicContact CB-CG 4Å; K450-L475 HydrophobicContact CD-CD2 4.09Å; K450-L475 HydrophobicContact CD-CG 4.01Å; L452-L475 HydrophobicContact CB-CD1 4.35Å; L452-L475 HydrophobicContact CD1-CB 4.35Å; L452-L475 HydrophobicContact CD1-CD1 4.16Å
476	E	92.9	Very high	90	Very high	35 Å²	35	36.5 Å²	36.5	16%	0.164	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	152.9	-170.2	-66.4	-59.2	165.4	0	0	113	K450 V451 L453 M474 I480 L485 S488 L532	K450-E476 CarbonylContact C-O 3.55Å; K450-E476 WeakPolarHBondContact CA-O 3.18Å; V451-E476 PolarHBondContact N-O 3.36Å; V451-E476 PolarHBondContact O-N 2.95Å; V451-E476 VanDerWaalsContact O-N 3.14Å; L453-E476 HydrophobicContact CD1-CB 4.35Å; L453-E476 HydrophobicContact CD1-CG 4.25Å; M474-E476 HydrophobicContact CE-CG 3.67Å; M474-E476 WeakPolarHBondContact CE-OE1 3.49Å; M474-E476 HydrophobicContact CG-CG 4.49Å; E476-I480 HydrophobicContact CB-CD1 4.29Å; E476-I480 HydrophobicContact CG-CD1 4.28Å; E476-I480 WeakPolarHBondContact OE2-CD1 3.09Å; E476-L485 HydrophobicContact CG-CD1 4.45Å; E476-S488 WeakPolarHBondContact OE1-CB 3.28Å; E476-S488 PolarHBondContact OE1-OG 3.07Å; E476-L532 HydrophobicContact CB-CD1 3.96Å
477	D	91.3	Very high	90	Very high	50 Å²	50	38.5 Å²	38.5	27%	0.267	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	137.7	174.1	-160.3	-70.7	0	0	0	111.6	S449 N479 I480	S449-D477 WeakPolarHBondContact CB-OD2 3.18Å; S449-D477 CarbonylContact O-C 3.56Å; S449-D477 WeakPolarHBondContact O-CA 3.47Å; S449-D477 PolarHBondContact OG-OD2 3.47Å; D477-N479 PolarHBondContact O-N 3.13Å; D477-N479 VanDerWaalsContact O-N 3.16Å; D477-N479 WeakPolarHBondContact OD1-CB 3.44Å; D477-N479 PolarHBondContact OD1-N 3.26Å; D477-N479 PolarHBondContact OD1-ND2 2.86Å; D477-I480 WeakPolarHBondContact O-CB 3.45Å; D477-I480 WeakPolarHBondContact O-CG2 3.3Å; D477-I480 PolarHBondContact O-N 2.85Å; D477-I480 VanDerWaalsContact O-N 3.08Å
478	R	90.9	Very high	90	Very high	53 Å²	53	38.4 Å²	38.4	20%	0.2	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.5	177	-68.2	-165.9	74	168.9	0.9	113.3	S449 V451 L532 C533 D538	S449-R478 WeakPolarHBondContact O-CB 3.23Å; S449-R478 WeakPolarHBondContact O-CG 3.37Å; S449-R478 PolarHBondContact O-N 2.75Å; V451-R478 HydrophobicContact CB-CG 4.25Å; V451-R478 HydrophobicContact CG2-CG 3.43Å; V451-R478 VanDerWaalsContact CG2-CG 3.43Å; R478-L532 PolarHBondContact NE-O 3.49Å; R478-L532 VanDerWaalsContact NE-O 3.09Å; R478-L532 PolarHBondContact NH2-O 2.84Å; R478-C533 PolarHBondContact O-SG 3.5Å; R478-C533 VanDerWaalsContact O-SG 3.4Å; R478-D538 IonicContact CZ-OD1 3.85Å; R478-D538 VanDerWaalsContact CZ-OD1 3.28Å; R478-D538 IonicContact NH1-OD1 3.92Å; R478-D538 PolarHBondContact NH1-OD1 3.27Å; R478-D538 IonicContact NH2-OD1 3.43Å; R478-D538 PolarHBondContact NH2-OD1 3.22Å; R478-D538 IonicContact NH2-OD2 2.92Å; R478-D538 PolarHBondContact NH2-OD2 3.07Å
479	N	90.9	Very high	90	Very high	79 Å²	79	38 Å²	38	42%	0.422	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91	4.1	179	-56.6	-84.4	0	0	0	113.9	D477 R530	D477-N479 PolarHBondContact O-N 3.13Å; D477-N479 VanDerWaalsContact O-N 3.16Å; D477-N479 WeakPolarHBondContact OD1-CB 3.44Å; D477-N479 PolarHBondContact OD1-N 3.26Å; D477-N479 PolarHBondContact OD1-ND2 2.86Å; N479-R530 WeakPolarHBondContact OD1-CD 3.41Å; N479-R530 PolarHBondContact OD1-NH1 2.89Å
480	I	92	Very high	90.1	Very high	13 Å²	13	38.6 Å²	38.6	7%	0.067	19%	0.191	C	C	.	.			trans	-52.7	140.3	173.7	-163.4	165.1	0	0	0	111	E476 D477 Q484 L485 P531 L532	E476-I480 HydrophobicContact CB-CD1 4.29Å; E476-I480 HydrophobicContact CG-CD1 4.28Å; E476-I480 WeakPolarHBondContact OE2-CD1 3.09Å; D477-I480 WeakPolarHBondContact O-CB 3.45Å; D477-I480 WeakPolarHBondContact O-CG2 3.3Å; D477-I480 PolarHBondContact O-N 2.85Å; D477-I480 VanDerWaalsContact O-N 3.08Å; I480-Q484 HydrophobicContact CD1-CB 3.99Å; I480-Q484 HydrophobicContact CG1-CB 3.4Å; I480-L485 HydrophobicContact CD1-CB 4.13Å; I480-L485 HydrophobicContact CG1-CB 4.27Å; I480-L485 HydrophobicContact CG2-CB 4.1Å; I480-P531 WeakPolarHBondContact O-CD 3.32Å; I480-L532 HydrophobicContact CG2-CD1 3.7Å; I480-L532 HydrophobicContact CG2-CG 3.98Å
481	S	92	Very high	90.1	Very high	25 Å²	25	41.5 Å²	41.5	18%	0.175	21%	0.211	C	C	.	.			trans	-73.9	167	173.6	90.9	0	0	0	0	111.5	E483 Q484 L485	S481-E483 VanDerWaalsContact C-N 3.33Å; S481-E483 WeakPolarHBondContact CB-OE2 3.3Å; S481-E483 PolarHBondContact O-N 3.26Å; S481-E483 PolarHBondContact OG-N 3.34Å; S481-E483 PolarHBondContact OG-OE2 3.22Å; S481-Q484 PolarHBondContact O-N 3.3Å; S481-Q484 WeakPolarHBondContact OG-CG 3.4Å; S481-Q484 PolarHBondContact OG-N 2.84Å; S481-Q484 VanDerWaalsContact OG-N 3.15Å; S481-L485 WeakPolarHBondContact O-CB 3.4Å; S481-L485 PolarHBondContact O-N 3.4Å
482	W	89.6	Confident	89.9	Confident	19 Å²	19	44.6 Å²	44.6	7%	0.072	23%	0.226	C	C	.	.	H	α-helix	trans	-60.3	-44.3	174.1	176.9	-89.7	0	0	0	111.8	L485 Q486 V512 L524 P526 P531	W482-L485 PolarHBondContact O-N 2.69Å; W482-Q486 VanDerWaalsContact O-CB 3.27Å; W482-Q486 WeakPolarHBondContact O-CB 3.5Å; W482-Q486 PolarHBondContact O-N 2.91Å; W482-V512 HydrophobicContact CH2-CB 4.48Å; W482-V512 HydrophobicContact CH2-CG2 4.06Å; W482-L524 HydrophobicContact CZ3-CB 3.95Å; W482-P526 HydrophobicContact CD2-CB 4.02Å; W482-P526 HydrophobicContact CD2-CG 4.3Å; W482-P526 HydrophobicContact CG-CB 4.22Å; W482-P526 HydrophobicContact CH2-CG 4.18Å; W482-P526 HydrophobicContact CZ2-CB 4.36Å; W482-P526 HydrophobicContact CZ2-CG 3.82Å; W482-P531 HydrophobicContact CE3-CB 4.08Å; W482-P531 HydrophobicContact CE3-CG 4.12Å; W482-P531 HydrophobicContact CZ3-CB 4.49Å
483	E	88.2	Confident	89.7	Confident	110 Å²	110	43.7 Å²	43.7	51%	0.514	22%	0.222	S	C	.	.	H	α-helix	trans	-64.3	-43	-178.9	-52.6	71.5	-154.8	0	0	111	S481 Q486 Q487	S481-E483 VanDerWaalsContact C-N 3.33Å; S481-E483 WeakPolarHBondContact CB-OE2 3.3Å; S481-E483 PolarHBondContact O-N 3.26Å; S481-E483 PolarHBondContact OG-N 3.34Å; S481-E483 PolarHBondContact OG-OE2 3.22Å; E483-Q486 PolarHBondContact O-N 3.39Å; E483-Q487 WeakPolarHBondContact O-CB 3.44Å; E483-Q487 VanDerWaalsContact O-CG 3.26Å; E483-Q487 WeakPolarHBondContact O-CG 3.49Å; E483-Q487 PolarHBondContact O-N 3.13Å
484	Q	90.4	Very high	89.5	Confident	105 Å²	105	48.4 Å²	48.4	49%	0.491	24%	0.238	S	C	.	.	H	α-helix	trans	-65.6	-43.8	176.7	-70.8	172.4	-20.7	0	0	111.7	I480 S481 Q487 S488	I480-Q484 HydrophobicContact CD1-CB 3.99Å; I480-Q484 HydrophobicContact CG1-CB 3.4Å; S481-Q484 PolarHBondContact O-N 3.3Å; S481-Q484 WeakPolarHBondContact OG-CG 3.4Å; S481-Q484 PolarHBondContact OG-N 2.84Å; S481-Q484 VanDerWaalsContact OG-N 3.15Å; Q484-Q487 PolarHBondContact O-N 2.94Å; Q484-S488 PolarHBondContact O-N 2.94Å
485	L	91.3	Very high	89.1	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-62.9	-43.8	176	179.4	60.7	0	0	0	111	L453 E476 I480 S481 W482 S488 I489 P531 L532	L453-L485 HydrophobicContact CD1-CD1 4.29Å; E476-L485 HydrophobicContact CG-CD1 4.45Å; I480-L485 HydrophobicContact CD1-CB 4.13Å; I480-L485 HydrophobicContact CG1-CB 4.27Å; I480-L485 HydrophobicContact CG2-CB 4.1Å; S481-L485 WeakPolarHBondContact O-CB 3.4Å; S481-L485 PolarHBondContact O-N 3.4Å; W482-L485 PolarHBondContact O-N 2.69Å; L485-S488 PolarHBondContact O-N 3.22Å; L485-I489 HydrophobicContact CD1-CD1 4.12Å; L485-I489 HydrophobicContact CD1-CG1 4.4Å; L485-I489 HydrophobicContact CG-CD1 3.97Å; L485-I489 WeakPolarHBondContact O-CB 3.28Å; L485-I489 VanDerWaalsContact O-CG1 3.26Å; L485-I489 WeakPolarHBondContact O-CG1 3.41Å; L485-I489 PolarHBondContact O-N 3.44Å; L485-P531 HydrophobicContact CD2-CB 4.42Å; L485-P531 HydrophobicContact CD2-CG 3.76Å; L485-L532 HydrophobicContact CD1-CD1 4.45Å; L485-L532 HydrophobicContact CD2-CD2 4.11Å; L485-L532 HydrophobicContact CD2-CG 4.27Å
486	Q	89.2	Confident	88.8	Confident	45 Å²	45	51.2 Å²	51.2	21%	0.21	25%	0.247	C	C	.	.	H	α-helix	trans	-61.8	-44.1	175.8	177.8	165	-0.1	0	0	111.7	W482 E483 L490 V508 F510	W482-Q486 VanDerWaalsContact O-CB 3.27Å; W482-Q486 WeakPolarHBondContact O-CB 3.5Å; W482-Q486 PolarHBondContact O-N 2.91Å; E483-Q486 PolarHBondContact O-N 3.39Å; Q486-L490 HydrophobicContact CG-CD1 4Å; Q486-L490 WeakPolarHBondContact O-CB 3.4Å; Q486-L490 WeakPolarHBondContact O-CD1 3.4Å; Q486-L490 WeakPolarHBondContact O-CG 3.49Å; Q486-L490 PolarHBondContact O-N 3.03Å; Q486-V508 PolarHBondContact NE2-O 3.43Å; Q486-F510 HydrophobicContact CB-CZ 4.29Å; Q486-F510 HydrophobicContact CG-CE1 3.97Å; Q486-F510 HydrophobicContact CG-CZ 3.82Å
487	Q	88.9	Confident	88.4	Confident	96 Å²	96	50.3 Å²	50.3	45%	0.449	24%	0.243	S	C	.	.	H	α-helix	trans	-63.3	-42.6	174.8	-75.7	176.8	9.5	0	0	112.3	E483 Q484 L490 S491	E483-Q487 WeakPolarHBondContact O-CB 3.44Å; E483-Q487 VanDerWaalsContact O-CG 3.26Å; E483-Q487 WeakPolarHBondContact O-CG 3.49Å; E483-Q487 PolarHBondContact O-N 3.13Å; Q484-Q487 PolarHBondContact O-N 2.94Å; Q487-L490 PolarHBondContact O-N 3.34Å; Q487-S491 WeakPolarHBondContact O-CB 3.27Å; Q487-S491 PolarHBondContact O-N 2.78Å
488	S	90.7	Very high	88	Confident	21 Å²	21	50.8 Å²	50.8	15%	0.147	25%	0.247	C	C	.	.	H	α-helix	trans	-65.2	-46.1	178.7	-170.1	0	0	0	0	111.5	M474 E476 Q484 L485 L490 S491 Q492	M474-S488 WeakPolarHBondContact CE-OG 3.41Å; E476-S488 WeakPolarHBondContact OE1-CB 3.28Å; E476-S488 PolarHBondContact OE1-OG 3.07Å; Q484-S488 PolarHBondContact O-N 2.94Å; L485-S488 PolarHBondContact O-N 3.22Å; S488-L490 VanDerWaalsContact C-N 3.31Å; S488-L490 PolarHBondContact O-N 2.87Å; S488-S491 PolarHBondContact O-N 3.24Å; S488-S491 VanDerWaalsContact O-N 3.08Å; S488-S491 PolarHBondContact O-OG 3.42Å; S488-Q492 PolarHBondContact O-N 3.49Å
489	I	90.3	Very high	86.8	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-53.2	-48	173.6	-72.6	166.2	0	0	0	111.1	M455 M474 L485 Q492 Q493 F510 V512 I556	M455-I489 HydrophobicContact CE-CD1 3.86Å; M455-I489 HydrophobicContact CE-CG1 4.1Å; M455-I489 HydrophobicContact SD-CD1 4.36Å; M455-I489 HydrophobicContact SD-CG1 3.95Å; M474-I489 HydrophobicContact CE-CG1 4.26Å; M474-I489 HydrophobicContact SD-CG1 4.17Å; L485-I489 HydrophobicContact CD1-CD1 4.12Å; L485-I489 HydrophobicContact CD1-CG1 4.4Å; L485-I489 HydrophobicContact CG-CD1 3.97Å; L485-I489 WeakPolarHBondContact O-CB 3.28Å; L485-I489 VanDerWaalsContact O-CG1 3.26Å; L485-I489 WeakPolarHBondContact O-CG1 3.41Å; L485-I489 PolarHBondContact O-N 3.44Å; I489-Q492 PolarHBondContact O-N 2.9Å; I489-Q493 WeakPolarHBondContact O-CG 3.49Å; I489-Q493 PolarHBondContact O-N 2.79Å; I489-F510 HydrophobicContact CB-CZ 4.12Å; I489-F510 HydrophobicContact CD1-CE2 4.03Å; I489-F510 HydrophobicContact CD1-CZ 4.09Å; I489-F510 HydrophobicContact CG2-CE1 4.22Å; I489-F510 HydrophobicContact CG2-CE2 4.3Å; I489-F510 HydrophobicContact CG2-CZ 3.7Å; I489-V512 HydrophobicContact CD1-CG2 4.3Å; I489-I556 HydrophobicContact CG2-CD1 3.62Å
490	L	88.7	Confident	85.2	Confident	15 Å²	15	53.1 Å²	53.1	8%	0.079	27%	0.269	C	S	.	.	H	α-helix	trans	-65.3	-38.6	178.3	-70.6	165.6	0	0	0	112	Q486 Q487 S488 Q492 Q493 Y494 A503 F510 W558	Q486-L490 HydrophobicContact CG-CD1 4Å; Q486-L490 WeakPolarHBondContact O-CB 3.4Å; Q486-L490 WeakPolarHBondContact O-CD1 3.4Å; Q486-L490 WeakPolarHBondContact O-CG 3.49Å; Q486-L490 PolarHBondContact O-N 3.03Å; Q487-L490 PolarHBondContact O-N 3.34Å; S488-L490 VanDerWaalsContact C-N 3.31Å; S488-L490 PolarHBondContact O-N 2.87Å; L490-Q492 PolarHBondContact O-N 2.94Å; L490-Q493 CarbonylContact O-C 3.53Å; L490-Q493 PolarHBondContact O-N 2.92Å; L490-Y494 PolarHBondContact O-N 2.86Å; L490-A503 HydrophobicContact CD1-CB 3.71Å; L490-A503 HydrophobicContact CD2-CB 3.7Å; L490-A503 HydrophobicContact CG-CB 4.22Å; L490-F510 HydrophobicContact CD2-CE1 4.16Å; L490-F510 HydrophobicContact CG-CE1 4.15Å; L490-W558 HydrophobicContact CD2-CH2 3.95Å
491	S	87.2	Confident	83.5	Confident	72 Å²	72	54.6 Å²	54.6	50%	0.503	28%	0.28	S	S	.	.	H	α-helix	trans	-63.6	-39.6	178.4	81.2	0	0	0	0	112.7	Q487 S488 Q493 Y494	Q487-S491 WeakPolarHBondContact O-CB 3.27Å; Q487-S491 PolarHBondContact O-N 2.78Å; S488-S491 PolarHBondContact O-N 3.24Å; S488-S491 VanDerWaalsContact O-N 3.08Å; S488-S491 PolarHBondContact O-OG 3.42Å; S491-Q493 PolarHBondContact O-N 2.81Å; S491-Y494 WeakPolarHBondContact O-CB 3.32Å; S491-Y494 PolarHBondContact O-N 2.87Å
492	Q	85.4	Confident	81.8	Confident	65 Å²	65	59.4 Å²	59.4	30%	0.304	30%	0.3	S	S	.	.	H	α-helix	trans	-64.9	-31.3	176.6	-67	-60.1	-20.3	0	0	112	F472 M474 S488 I489 L490 Y495	F472-Q492 HydrophobicContact CD2-CB 3.93Å; F472-Q492 HydrophobicContact CD2-CG 4.31Å; F472-Q492 HydrophobicContact CE2-CB 3.79Å; F472-Q492 HydrophobicContact CE2-CG 4.2Å; M474-Q492 HydrophobicContact CE-CG 4.39Å; M474-Q492 HydrophobicContact SD-CG 4.45Å; S488-Q492 PolarHBondContact O-N 3.49Å; I489-Q492 PolarHBondContact O-N 2.9Å; L490-Q492 PolarHBondContact O-N 2.94Å; Q492-Y495 WeakPolarHBondContact O-CD1 3.42Å; Q492-Y495 WeakPolarHBondContact O-CE1 3.42Å
493	Q	84.3	Confident	80.2	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	30%	0.3	C	S	.	.	H	α-helix	trans	-95.6	-4.4	-177.8	-60.5	-174.9	23.9	0	0	114.2	N457 F472 I489 L490 S491 Y495 L496 I556 F567	N457-Q493 VanDerWaalsContact ND2-CD 3.26Å; N457-Q493 PolarHBondContact ND2-NE2 3.3Å; N457-Q493 PolarHBondContact ND2-OE1 3.09Å; N457-Q493 PolarHBondContact OD1-NE2 3.1Å; N457-Q493 PolarHBondContact OD1-OE1 3.39Å; F472-Q493 HydrophobicContact CE1-CG 3.99Å; F472-Q493 HydrophobicContact CZ-CG 4.1Å; F472-Q493 VanDerWaalsContact CZ-NE2 3.31Å; I489-Q493 WeakPolarHBondContact O-CG 3.49Å; I489-Q493 PolarHBondContact O-N 2.79Å; L490-Q493 CarbonylContact O-C 3.53Å; L490-Q493 PolarHBondContact O-N 2.92Å; S491-Q493 PolarHBondContact O-N 2.81Å; Q493-Y495 PolarHBondContact O-N 2.86Å; Q493-L496 WeakPolarHBondContact O-CB 3.3Å; Q493-L496 PolarHBondContact O-N 2.7Å; Q493-I556 VanDerWaalsContact NE2-CD1 3.28Å; Q493-F567 HydrophobicContact CB-CE1 4.33Å; Q493-F567 HydrophobicContact CB-CZ 4.47Å
494	Y	84.8	Confident	78.6	Confident	128 Å²	128	59.9 Å²	59.9	50%	0.502	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-53.4	-35	-174.6	-177.7	-101.8	0	0	0	113.9	L490 S491 L496 M497 G500	L490-Y494 PolarHBondContact O-N 2.86Å; S491-Y494 WeakPolarHBondContact O-CB 3.32Å; S491-Y494 PolarHBondContact O-N 2.87Å; Y494-L496 PolarHBondContact O-N 2.94Å; Y494-M497 HydrophobicContact CD2-SD 4.34Å; Y494-M497 WeakPolarHBondContact O-CB 3.34Å; Y494-M497 PolarHBondContact O-N 2.89Å; Y494-G500 WeakPolarHBondContact CE2-O 3.45Å; Y494-G500 WeakPolarHBondContact OH-CA 3.37Å; Y494-G500 PolarHBondContact OH-O 2.8Å
495	Y	82.6	Confident	76.6	Confident	110 Å²	110	61.1 Å²	61.1	43%	0.431	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-66.7	-12.2	177.2	78.9	-77.2	0	0	0	114.9	R331 P470 Q492 Q493	R331-Y495 VanDerWaalsContact NH1-CD1 3.33Å; P470-Y495 VanDerWaalsContact CG-OH 3.23Å; P470-Y495 WeakPolarHBondContact CG-OH 3.46Å; Q492-Y495 WeakPolarHBondContact O-CD1 3.42Å; Q492-Y495 WeakPolarHBondContact O-CE1 3.42Å; Q493-Y495 PolarHBondContact O-N 2.86Å
496	L	82.6	Confident	74.7	Confident	31 Å²	31	62.8 Å²	62.8	16%	0.162	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-98.7	-9.6	173.9	-59.1	170	0	0	0	112	P470 Q493 Y494 F567 I570	P470-L496 HydrophobicContact CG-CD1 4.39Å; Q493-L496 WeakPolarHBondContact O-CB 3.3Å; Q493-L496 PolarHBondContact O-N 2.7Å; Y494-L496 PolarHBondContact O-N 2.94Å; L496-F567 HydrophobicContact CB-CD1 3.96Å; L496-F567 HydrophobicContact CB-CE1 4.06Å; L496-I570 HydrophobicContact CB-CD1 3.82Å; L496-I570 HydrophobicContact CD2-CD1 4.27Å; L496-I570 WeakPolarHBondContact O-CD1 3.37Å
497	M	86.3	Confident	73.3	Confident	16 Å²	16	64 Å²	64	8%	0.079	35%	0.353	C	S	.	.	S	Bend	trans	-84.4	131.6	-170.1	-68.4	177.8	65.4	0	0	112.5	Y494 N499 G500 S501 A503 L566 F567	Y494-M497 HydrophobicContact CD2-SD 4.34Å; Y494-M497 WeakPolarHBondContact O-CB 3.34Å; Y494-M497 PolarHBondContact O-N 2.89Å; M497-N499 PolarHBondContact O-N 2.9Å; M497-G500 PolarHBondContact O-N 2.84Å; M497-S501 WeakPolarHBondContact CE-O 3.4Å; M497-A503 HydrophobicContact CE-CB 3.7Å; M497-L566 CarbonylContact C-O 3.56Å; M497-L566 VanDerWaalsContact CA-O 3.27Å; M497-L566 WeakPolarHBondContact CA-O 3.43Å; M497-L566 HydrophobicContact CE-CD2 4.06Å; M497-F567 HydrophobicContact CG-CD1 4.24Å; M497-F567 HydrophobicContact CG-CE1 3.66Å; M497-F567 HydrophobicContact CG-CZ 4.25Å
498	V	81.1	Confident	72	Confident	59 Å²	59	60 Å²	60	36%	0.358	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-60.3	128.8	179.5	179.8	0	0	0	0	110	G500 S501 L566	V498-G500 PolarHBondContact O-N 2.8Å; V498-G500 VanDerWaalsContact O-N 3.11Å; V498-S501 WeakPolarHBondContact O-CB 3.47Å; V498-S501 PolarHBondContact O-N 2.58Å; V498-S501 PolarHBondContact O-OG 2.81Å; V498-L566 PolarHBondContact N-O 2.77Å
499	N	66.3	Low	71.1	Confident	159 Å²	159	66.7 Å²	66.7	85%	0.85	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	55.5	21.3	178.9	-57.3	-14	0	0	0	115.3	M497 S501	M497-N499 PolarHBondContact O-N 2.9Å; N499-S501 PolarHBondContact O-N 3.19Å; N499-S501 VanDerWaalsContact O-N 3.17Å
500	G	58.4	Low	71.1	Confident	23 Å²	23	67.2 Å²	67.2	24%	0.237	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	59.5	26.1	-177.3	0	0	0	0	0	113.4	Y494 M497 V498 Q502	Y494-G500 WeakPolarHBondContact CE2-O 3.45Å; Y494-G500 WeakPolarHBondContact OH-CA 3.37Å; Y494-G500 PolarHBondContact OH-O 2.8Å; M497-G500 PolarHBondContact O-N 2.84Å; V498-G500 PolarHBondContact O-N 2.8Å; V498-G500 VanDerWaalsContact O-N 3.11Å; G500-Q502 PolarHBondContact O-N 3Å
501	S	55.4	Low	71.1	Confident	44 Å²	44	73.1 Å²	73.1	31%	0.308	39%	0.391	S	S	.	.			trans	-63.5	131.8	-168.7	45.8	0	0	0	0	112.4	M497 V498 N499 A503	M497-S501 WeakPolarHBondContact CE-O 3.4Å; V498-S501 WeakPolarHBondContact O-CB 3.47Å; V498-S501 PolarHBondContact O-N 2.58Å; V498-S501 PolarHBondContact O-OG 2.81Å; N499-S501 PolarHBondContact O-N 3.19Å; N499-S501 VanDerWaalsContact O-N 3.17Å; S501-A503 PolarHBondContact O-N 3.34Å
502	Q	55.5	Low	71.3	Confident	125 Å²	125	69.7 Å²	69.7	58%	0.584	37%	0.368	S	S	*	.			trans	-70	97.9	-177.9	-73.5	-166.2	-0.1	0	0	111.8	G500 Q504 N505	G500-Q502 PolarHBondContact O-N 3Å; Q502-Q504 PolarHBondContact O-N 3.01Å; Q502-Q504 VanDerWaalsContact O-N 3.1Å; Q502-N505 PolarHBondContact O-N 3Å; Q502-N505 VanDerWaalsContact O-N 3.17Å; Q502-N505 PolarHBondContact OE1-ND2 3.27Å; Q502-N505 VanDerWaalsContact OE1-ND2 3.16Å
503	A	57	Low	71.6	Confident	9 Å²	9	69.2 Å²	69.2	7%	0.074	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-55.4	-25.4	171.9	0	0	0	0	0	113.6	L490 M497 S501 N505 A506 V508	L490-A503 HydrophobicContact CD1-CB 3.71Å; L490-A503 HydrophobicContact CD2-CB 3.7Å; L490-A503 HydrophobicContact CG-CB 4.22Å; M497-A503 HydrophobicContact CE-CB 3.7Å; S501-A503 PolarHBondContact O-N 3.34Å; A503-N505 PolarHBondContact O-N 2.9Å; A503-A506 PolarHBondContact O-N 2.97Å; A503-V508 HydrophobicContact CB-CG2 3.84Å; A503-V508 VanDerWaalsContact O-CG2 3.3Å; A503-V508 WeakPolarHBondContact O-CG2 3.17Å
504	Q	55.1	Low	71.9	Confident	130 Å²	130	69.2 Å²	69.2	61%	0.607	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-57.2	-34	177.7	-63.4	-176.3	-1.2	0	0	112.9	Q502	Q502-Q504 PolarHBondContact O-N 3.01Å; Q502-Q504 VanDerWaalsContact O-N 3.1Å
505	N	47.8	Very low	72.1	Confident	132 Å²	132	64.4 Å²	64.4	71%	0.706	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-95.9	-2.2	-178	-63	-26.7	0	0	0	113.7	Q502 A503	Q502-N505 PolarHBondContact O-N 3Å; Q502-N505 VanDerWaalsContact O-N 3.17Å; Q502-N505 PolarHBondContact OE1-ND2 3.27Å; Q502-N505 VanDerWaalsContact OE1-ND2 3.16Å; A503-N505 PolarHBondContact O-N 2.9Å
506	A	50.3	Low	71.7	Confident	37 Å²	37	62.6 Å²	62.6	31%	0.306	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	8.3	-166.1	0	0	0	0	0	115	A503 V508	A503-A506 PolarHBondContact O-N 2.97Å; A506-V508 HydrophobicContact CB-CG2 3.78Å; A506-V508 PolarHBondContact O-N 2.65Å
507	G	60.3	Low	70.8	Confident	69 Å²	69	62 Å²	62	71%	0.711	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	45	179	0	0	0	0	0	112.7	E509	G507-E509 PolarHBondContact O-N 3.39Å
508	V	61.9	Low	69.5	Low	13 Å²	13	65.1 Å²	65.1	8%	0.079	39%	0.386	C	S	.	.			trans	-76.5	93.4	-163.9	179.4	0	0	0	0	112	Q486 A503 A506 F510 W558 L566	Q486-V508 PolarHBondContact NE2-O 3.43Å; A503-V508 HydrophobicContact CB-CG2 3.84Å; A503-V508 VanDerWaalsContact O-CG2 3.3Å; A503-V508 WeakPolarHBondContact O-CG2 3.17Å; A506-V508 HydrophobicContact CB-CG2 3.78Å; A506-V508 PolarHBondContact O-N 2.65Å; V508-F510 HydrophobicContact CG1-CD1 4.14Å; V508-F510 PolarHBondContact O-N 3.43Å; V508-W558 HydrophobicContact CG1-CH2 4.23Å; V508-W558 HydrophobicContact CG1-CZ3 3.58Å; V508-L566 HydrophobicContact CB-CD1 4.5Å; V508-L566 HydrophobicContact CG1-CD1 3.67Å; V508-L566 HydrophobicContact CG2-CD1 3.91Å
509	E	72.9	Confident	68.4	Low	161 Å²	161	67 Å²	67	75%	0.752	41%	0.408	S	S	*	.			trans	-77.8	111.4	169.2	-64.9	-168.7	155.3	0	0	111.6	G507	G507-E509 PolarHBondContact O-N 3.39Å
510	F	88.4	Confident	67.8	Low	13 Å²	13	64.1 Å²	64.1	6%	0.057	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	160.5	156.3	61.6	-109.6	0	0	0	109.6	Q486 I489 L490 V508 V512 I556 W558	Q486-F510 HydrophobicContact CB-CZ 4.29Å; Q486-F510 HydrophobicContact CG-CE1 3.97Å; Q486-F510 HydrophobicContact CG-CZ 3.82Å; I489-F510 HydrophobicContact CB-CZ 4.12Å; I489-F510 HydrophobicContact CD1-CE2 4.03Å; I489-F510 HydrophobicContact CD1-CZ 4.09Å; I489-F510 HydrophobicContact CG2-CE1 4.22Å; I489-F510 HydrophobicContact CG2-CE2 4.3Å; I489-F510 HydrophobicContact CG2-CZ 3.7Å; L490-F510 HydrophobicContact CD2-CE1 4.16Å; L490-F510 HydrophobicContact CG-CE1 4.15Å; V508-F510 HydrophobicContact CG1-CD1 4.14Å; V508-F510 PolarHBondContact O-N 3.43Å; F510-V512 HydrophobicContact CD2-CG2 3.97Å; F510-V512 HydrophobicContact CE2-CG2 3.69Å; F510-I556 HydrophobicContact CB-CG2 3.91Å; F510-I556 HydrophobicContact CD1-CG2 4.4Å; F510-I556 HydrophobicContact CD2-CG2 3.54Å; F510-I556 HydrophobicContact CE2-CG2 4.09Å; F510-I556 HydrophobicContact CG-CG2 3.71Å; F510-W558 HydrophobicContact CB-CD2 4.01Å; F510-W558 HydrophobicContact CB-CE3 3.97Å; F510-W558 HydrophobicContact CB-CZ3 4.23Å; F510-W558 HydrophobicContact CD1-CE3 4.34Å; F510-W558 AromaticContact CD1-CH2 3.49Å; F510-W558 HydrophobicContact CD1-CH2 3.49Å; F510-W558 VanDerWaalsContact CD1-CH2 3.49Å; F510-W558 AromaticContact CD1-CZ2 3.89Å; F510-W558 HydrophobicContact CD1-CZ2 3.89Å; F510-W558 AromaticContact CD1-CZ3 3.74Å; F510-W558 HydrophobicContact CD1-CZ3 3.74Å; F510-W558 HydrophobicContact CE1-CH2 4.02Å; F510-W558 HydrophobicContact CE1-CZ2 4.39Å; F510-W558 HydrophobicContact CG-CH2 4.32Å; F510-W558 HydrophobicContact CG-CZ2 4.39Å; F510-W558 HydrophobicContact CG-CZ3 4.44Å
511	K	89.9	Confident	68.1	Low	138 Å²	138	65.2 Å²	65.2	60%	0.6	41%	0.41	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.7	137.3	177.3	-63.8	178.9	-178.1	178.7	0	110.3	Y523 E557	K511-Y523 HydrophobicContact CB-CD1 4.2Å; K511-Y523 HydrophobicContact CB-CE1 4.36Å; K511-E557 HydrophobicContact CB-CB 4.37Å; K511-E557 PolarHBondContact N-O 2.84Å; K511-E557 PolarHBondContact O-N 2.83Å
512	V	91.7	Very high	69.3	Low	1 Å²	1	63.7 Å²	63.7	1%	0.006	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	117.2	177.3	-176.2	0	0	0	0	109.2	W482 I489 F510 Y523 L524 L554	W482-V512 HydrophobicContact CH2-CB 4.48Å; W482-V512 HydrophobicContact CH2-CG2 4.06Å; I489-V512 HydrophobicContact CD1-CG2 4.3Å; F510-V512 HydrophobicContact CD2-CG2 3.97Å; F510-V512 HydrophobicContact CE2-CG2 3.69Å; V512-Y523 WeakPolarHBondContact O-CA 3.48Å; V512-L524 HydrophobicContact CB-CB 4.41Å; V512-L524 HydrophobicContact CB-CD1 4.3Å; V512-L524 HydrophobicContact CB-CG 4.43Å; V512-L524 HydrophobicContact CG1-CD1 3.79Å; V512-L524 HydrophobicContact CG1-CG 4.23Å; V512-L524 PolarHBondContact O-N 3.12Å; V512-L554 HydrophobicContact CG1-CB 4.23Å; V512-L554 HydrophobicContact CG1-CD1 3.95Å; V512-L554 HydrophobicContact CG1-CD2 4.16Å; V512-L554 HydrophobicContact CG1-CG 4.35Å
513	R	90.8	Very high	70.8	Confident	54 Å²	54	62.2 Å²	62.2	20%	0.204	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	126.7	178	176.9	165.4	53.3	79.1	-1.9	111.3	S522 Y523 L554 V555 E557	R513-S522 CarbonylContact C-O 3.52Å; R513-S522 WeakPolarHBondContact CA-O 3.49Å; R513-Y523 HydrophobicContact CB-CD1 3.85Å; R513-Y523 HydrophobicContact CB-CE1 3.75Å; R513-Y523 HydrophobicContact CG-CD1 4.48Å; R513-Y523 HydrophobicContact CG-CE1 4.25Å; R513-L554 CarbonylContact O-C 3.57Å; R513-L554 WeakPolarHBondContact O-CA 3.35Å; R513-V555 HydrophobicContact CB-CB 4.47Å; R513-V555 PolarHBondContact N-O 2.95Å; R513-V555 PolarHBondContact O-N 3.48Å; R513-E557 IonicContact CZ-OE1 3.05Å; R513-E557 IonicContact NE-OE1 2.84Å; R513-E557 PolarHBondContact NE-OE1 3.1Å; R513-E557 IonicContact NH2-OE1 3.09Å; R513-E557 PolarHBondContact NH2-OE1 3.06Å
514	V	91.3	Very high	72.4	Confident	2 Å²	2	62.2 Å²	62.2	1%	0.012	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	125.4	171.2	-168.5	0	0	0	0	109.9	S522 L524 A536 V537 A540 V552 L554	V514-S522 PolarHBondContact N-O 3.14Å; V514-L524 HydrophobicContact CG2-CD2 3.69Å; V514-L524 HydrophobicContact CG2-CG 4.11Å; V514-A536 HydrophobicContact CB-CB 4.15Å; V514-A536 HydrophobicContact CG1-CB 4.32Å; V514-A536 HydrophobicContact CG2-CB 4Å; V514-V537 HydrophobicContact CG2-CG2 4.33Å; V514-A540 HydrophobicContact CG1-CB 3.83Å; V514-V552 HydrophobicContact CG1-CG1 3.94Å; V514-L554 HydrophobicContact CB-CD2 4.2Å; V514-L554 HydrophobicContact CG1-CD2 4.35Å; V514-L554 HydrophobicContact CG2-CD2 3.82Å
515	V	87.7	Confident	73.7	Confident	27 Å²	27	57.8 Å²	57.8	16%	0.164	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	144.6	174.1	-176.8	0	0	0	0	109.5	F373 G517 K553 V555	F373-V515 HydrophobicContact CB-CG1 4.46Å; F373-V515 HydrophobicContact CB-CG2 4.38Å; F373-V515 HydrophobicContact CD2-CG2 4.28Å; V515-G517 VanDerWaalsContact C-N 3.26Å; V515-G517 PolarHBondContact O-N 3.23Å; V515-K553 HydrophobicContact CB-CB 3.97Å; V515-K553 WeakPolarHBondContact CB-O 3.46Å; V515-K553 HydrophobicContact CG2-CB 4.12Å; V515-K553 WeakPolarHBondContact CG2-O 3.42Å; V515-K553 PolarHBondContact N-O 2.8Å; V515-V555 HydrophobicContact CG2-CG2 3.73Å
516	G	75.6	Confident	75.4	Confident	71 Å²	71	55.7 Å²	55.7	73%	0.732	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-3.5	-175.9	0	0	0	0	0	115.1
517	G	63.1	Low	76.9	Confident	19 Å²	19	63.4 Å²	63.4	20%	0.196	39%	0.392	C	S	.	.			trans	-75	145.1	175	0	0	0	0	0	113.7	V515 A519 S522	V515-G517 VanDerWaalsContact C-N 3.26Å; V515-G517 PolarHBondContact O-N 3.23Å; G517-A519 PolarHBondContact O-N 3Å; G517-S522 VanDerWaalsContact C-OG 3.23Å; G517-S522 PolarHBondContact O-OG 3.02Å
518	S	58.7	Low	78.1	Confident	81 Å²	81	62.3 Å²	62.3	57%	0.566	37%	0.369	S	S	*	.			trans	-61.8	131.4	168.3	176.2	0	0	0	0	111.1	A520 S521 S522	S518-A520 PolarHBondContact O-N 3.47Å; S518-S521 PolarHBondContact O-N 2.83Å; S518-S522 PolarHBondContact O-OG 3.23Å
519	A	58.7	Low	79.1	Confident	98 Å²	98	66.3 Å²	66.3	81%	0.81	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-53.3	-24.2	-165.8	0	0	0	0	0	115.9	G517 S521	G517-A519 PolarHBondContact O-N 3Å; A519-S521 VanDerWaalsContact C-N 3.3Å; A519-S521 PolarHBondContact O-N 2.93Å
520	A	53.8	Low	79.9	Confident	100 Å²	100	64.9 Å²	64.9	83%	0.826	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-72.9	-14.5	177	0	0	0	0	0	114.5	S518	S518-A520 PolarHBondContact O-N 3.47Å
521	S	63.3	Low	79.9	Confident	45 Å²	45	64.3 Å²	64.3	32%	0.315	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-153	50.7	-178.3	53.2	0	0	0	0	112.7	S518 A519 H534 A536 R539	S518-S521 PolarHBondContact O-N 2.83Å; A519-S521 VanDerWaalsContact C-N 3.3Å; A519-S521 PolarHBondContact O-N 2.93Å; S521-H534 PolarHBondContact O-CE1 3.48Å; S521-A536 WeakPolarHBondContact O-CB 3.49Å; S521-R539 PolarHBondContact O-NH2 3.19Å; S521-R539 PolarHBondContact OG-NH2 3.28Å
522	S	81.1	Confident	80	Confident	12 Å²	12	57.7 Å²	57.7	8%	0.084	36%	0.355	C	S	.	.			trans	-96.9	-3.4	179.5	-54.3	0	0	0	0	115.1	R513 V514 G517 S518	R513-S522 CarbonylContact C-O 3.52Å; R513-S522 WeakPolarHBondContact CA-O 3.49Å; V514-S522 PolarHBondContact N-O 3.14Å; G517-S522 VanDerWaalsContact C-OG 3.23Å; G517-S522 PolarHBondContact O-OG 3.02Å; S518-S522 PolarHBondContact O-OG 3.23Å
523	Y	88.4	Confident	79.8	Confident	95 Å²	95	60.3 Å²	60.3	37%	0.373	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-105	146.9	176.5	-65.1	-91.9	0	0	0	110.9	K511 V512 R513 E557	K511-Y523 HydrophobicContact CB-CD1 4.2Å; K511-Y523 HydrophobicContact CB-CE1 4.36Å; V512-Y523 WeakPolarHBondContact O-CA 3.48Å; R513-Y523 HydrophobicContact CB-CD1 3.85Å; R513-Y523 HydrophobicContact CB-CE1 3.75Å; R513-Y523 HydrophobicContact CG-CD1 4.48Å; R513-Y523 HydrophobicContact CG-CE1 4.25Å; Y523-E557 WeakPolarHBondContact CE1-OE2 3.5Å; Y523-E557 PolarHBondContact OH-OE2 2.73Å
524	L	89.1	Confident	79.8	Confident	8 Å²	8	59.6 Å²	59.6	4%	0.042	37%	0.371	C	S	.	.			trans	-84.8	141.4	168	-52.9	-175.4	0	0	0	109.1	W482 V512 V514 P531 L532 H534 V537	W482-L524 HydrophobicContact CZ3-CB 3.95Å; V512-L524 HydrophobicContact CB-CB 4.41Å; V512-L524 HydrophobicContact CB-CD1 4.3Å; V512-L524 HydrophobicContact CB-CG 4.43Å; V512-L524 HydrophobicContact CG1-CD1 3.79Å; V512-L524 HydrophobicContact CG1-CG 4.23Å; V512-L524 PolarHBondContact O-N 3.12Å; V514-L524 HydrophobicContact CG2-CD2 3.69Å; V514-L524 HydrophobicContact CG2-CG 4.11Å; L524-P531 HydrophobicContact CB-CB 4.25Å; L524-P531 HydrophobicContact CD1-CB 4.27Å; L524-L532 HydrophobicContact CD1-CD2 4.32Å; L524-H534 HydrophobicContact CD2-CB 3.8Å; L524-V537 HydrophobicContact CD2-CG2 3.91Å
525	S	84	Confident	79.6	Confident	38 Å²	38	63 Å²	63	27%	0.266	39%	0.394	S	S	.	.			trans	-102	136.1	-174.7	132.1	0	0	0	0	111.8	K527 D528	S525-K527 PolarHBondContact O-N 2.74Å; S525-K527 PolarHBondContact OG-N 3.4Å; S525-K527 VanDerWaalsContact OG-N 3.07Å; S525-D528 VanDerWaalsContact CB-CG 3.45Å; S525-D528 WeakPolarHBondContact CB-OD1 3.43Å; S525-D528 WeakPolarHBondContact CB-OD2 3.41Å; S525-D528 PolarHBondContact N-OD2 2.73Å; S525-D528 VanDerWaalsContact O-CB 3.3Å; S525-D528 WeakPolarHBondContact O-CB 3.36Å; S525-D528 VanDerWaalsContact O-CG 3.25Å; S525-D528 PolarHBondContact O-N 2.99Å; S525-D528 VanDerWaalsContact OG-CG 3.28Å; S525-D528 PolarHBondContact OG-OD1 2.75Å
526	P	82.7	Confident	79.6	Confident	87 Å²	87	61.8 Å²	61.8	57%	0.565	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-5.3	171.9	-22.4	33.1	0	0	0	115.1	W482	W482-P526 HydrophobicContact CD2-CB 4.02Å; W482-P526 HydrophobicContact CD2-CG 4.3Å; W482-P526 HydrophobicContact CG-CB 4.22Å; W482-P526 HydrophobicContact CH2-CG 4.18Å; W482-P526 HydrophobicContact CZ2-CB 4.36Å; W482-P526 HydrophobicContact CZ2-CG 3.82Å
527	K	82.4	Confident	80.3	Confident	199 Å²	199	58.4 Å²	58.4	87%	0.865	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	-5.6	173.5	-56.7	-175.2	178.9	-174.3	0	112.3	S525 S529	S525-K527 PolarHBondContact O-N 2.74Å; S525-K527 PolarHBondContact OG-N 3.4Å; S525-K527 VanDerWaalsContact OG-N 3.07Å; K527-S529 PolarHBondContact O-N 2.96Å
528	D	84.2	Confident	81.5	Confident	46 Å²	46	59.8 Å²	59.8	25%	0.246	35%	0.354	C	S	.	.			trans	-85.7	112.6	-178	-51.3	-11.7	0	0	0	107.8	S525 R530 P531	S525-D528 VanDerWaalsContact CB-CG 3.45Å; S525-D528 WeakPolarHBondContact CB-OD1 3.43Å; S525-D528 WeakPolarHBondContact CB-OD2 3.41Å; S525-D528 PolarHBondContact N-OD2 2.73Å; S525-D528 VanDerWaalsContact O-CB 3.3Å; S525-D528 WeakPolarHBondContact O-CB 3.36Å; S525-D528 VanDerWaalsContact O-CG 3.25Å; S525-D528 PolarHBondContact O-N 2.99Å; S525-D528 VanDerWaalsContact OG-CG 3.28Å; S525-D528 PolarHBondContact OG-OD1 2.75Å; D528-R530 PolarHBondContact O-N 3.2Å; D528-R530 VanDerWaalsContact O-N 3.11Å; D528-P531 HydrophobicContact CB-CB 4.42Å; D528-P531 WeakPolarHBondContact O-CD 3.21Å
529	S	84.1	Confident	82.8	Confident	97 Å²	97	60.7 Å²	60.7	68%	0.678	35%	0.345	S	S	*	.	S	Bend	trans	-65.3	-16	-178.1	56.8	0	0	0	0	114.2	K527	K527-S529 PolarHBondContact O-N 2.96Å
530	R	89.1	Confident	84.2	Confident	132 Å²	132	56.2 Å²	56.2	50%	0.498	31%	0.309	S	S	.	.	S	Bend	trans	-141.2	78.4	174.5	-72.4	-176	-83.8	-173.5	-8	109.8	N479 D528 L532 C533	N479-R530 WeakPolarHBondContact OD1-CD 3.41Å; N479-R530 PolarHBondContact OD1-NH1 2.89Å; D528-R530 PolarHBondContact O-N 3.2Å; D528-R530 VanDerWaalsContact O-N 3.11Å; R530-L532 PolarHBondContact O-N 3.21Å; R530-C533 HydrophobicContact CB-CB 4.18Å; R530-C533 WeakPolarHBondContact O-CB 3.31Å; R530-C533 PolarHBondContact O-N 2.92Å
531	P	89	Confident	85.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-64.4	-24.9	-172.2	26.1	-35.3	0	0	0	113.7	I480 W482 L485 L524 D528 C533 H534	I480-P531 WeakPolarHBondContact O-CD 3.32Å; W482-P531 HydrophobicContact CE3-CB 4.08Å; W482-P531 HydrophobicContact CE3-CG 4.12Å; W482-P531 HydrophobicContact CZ3-CB 4.49Å; L485-P531 HydrophobicContact CD2-CB 4.42Å; L485-P531 HydrophobicContact CD2-CG 3.76Å; L524-P531 HydrophobicContact CB-CB 4.25Å; L524-P531 HydrophobicContact CD1-CB 4.27Å; D528-P531 HydrophobicContact CB-CB 4.42Å; D528-P531 WeakPolarHBondContact O-CD 3.21Å; P531-C533 PolarHBondContact O-N 3.17Å; P531-H534 WeakPolarHBondContact O-CB 3.22Å; P531-H534 PolarHBondContact O-N 2.86Å; P531-H534 VanDerWaalsContact O-N 3.16Å
532	L	90.9	Very high	86.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-80	-0.1	174.8	-60.2	-173.2	0	0	0	113.9	L453 E476 R478 I480 L485 L524 R530	L453-L532 HydrophobicContact CD1-CD1 4.14Å; L453-L532 HydrophobicContact CD1-CD2 4.32Å; L453-L532 HydrophobicContact CD2-CD2 4.32Å; E476-L532 HydrophobicContact CB-CD1 3.96Å; R478-L532 PolarHBondContact NE-O 3.49Å; R478-L532 VanDerWaalsContact NE-O 3.09Å; R478-L532 PolarHBondContact NH2-O 2.84Å; I480-L532 HydrophobicContact CG2-CD1 3.7Å; I480-L532 HydrophobicContact CG2-CG 3.98Å; L485-L532 HydrophobicContact CD1-CD1 4.45Å; L485-L532 HydrophobicContact CD2-CD2 4.11Å; L485-L532 HydrophobicContact CD2-CG 4.27Å; L524-L532 HydrophobicContact CD1-CD2 4.32Å; R530-L532 PolarHBondContact O-N 3.21Å
533	C	88.9	Confident	86.8	Confident	56 Å²	56	63.1 Å²	63.1	38%	0.378	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-98.2	6.9	164.7	-68	0	0	0	0	112.9	R478 R530 P531	R478-C533 PolarHBondContact O-SG 3.5Å; R478-C533 VanDerWaalsContact O-SG 3.4Å; R530-C533 HydrophobicContact CB-CB 4.18Å; R530-C533 WeakPolarHBondContact O-CB 3.31Å; R530-C533 PolarHBondContact O-N 2.92Å; P531-C533 PolarHBondContact O-N 3.17Å
534	H	89.1	Confident	86.5	Confident	38 Å²	38	60.5 Å²	60.5	18%	0.176	32%	0.32	C	S	.	.	S	Bend	trans	-69.3	135.3	177.5	179.1	-110.5	0	0	0	111.4	S521 L524 P531 A536 V537	S521-H534 PolarHBondContact O-CE1 3.48Å; L524-H534 HydrophobicContact CD2-CB 3.8Å; P531-H534 WeakPolarHBondContact O-CB 3.22Å; P531-H534 PolarHBondContact O-N 2.86Å; P531-H534 VanDerWaalsContact O-N 3.16Å; H534-A536 WeakPolarHBondContact ND1-CB 3.36Å; H534-A536 PolarHBondContact O-N 3.09Å; H534-V537 HydrophobicContact CB-CG2 4.36Å; H534-V537 VanDerWaalsContact O-CB 3.29Å; H534-V537 WeakPolarHBondContact O-CB 3.45Å; H534-V537 WeakPolarHBondContact O-CG2 3.5Å; H534-V537 PolarHBondContact O-N 3.46Å
535	P	87.6	Confident	85.9	Confident	75 Å²	75	62 Å²	62	49%	0.487	34%	0.337	S	S	.	.	H	α-helix	trans	-58.8	-15.8	-172.7	-29.6	36.6	0	0	0	116.9	V537 R539	P535-V537 VanDerWaalsContact C-N 3.33Å; P535-R539 WeakPolarHBondContact O-CG 3.43Å; P535-R539 PolarHBondContact O-N 3.15Å
536	A	88.1	Confident	85.7	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.008	35%	0.346	C	S	.	.	H	α-helix	trans	-68.6	-32.9	170.6	0	0	0	0	0	112.9	V514 S521 H534 R539 A540	V514-A536 HydrophobicContact CB-CB 4.15Å; V514-A536 HydrophobicContact CG1-CB 4.32Å; V514-A536 HydrophobicContact CG2-CB 4Å; S521-A536 WeakPolarHBondContact O-CB 3.49Å; H534-A536 WeakPolarHBondContact ND1-CB 3.36Å; H534-A536 PolarHBondContact O-N 3.09Å; A536-R539 PolarHBondContact O-N 3.46Å; A536-A540 WeakPolarHBondContact O-CB 3.36Å; A536-A540 PolarHBondContact O-N 2.75Å
537	V	89.5	Confident	85.2	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-68.4	-44.6	178.4	-173.9	0	0	0	0	109.8	V514 L524 H534 P535 R539 A540 L541 V552	V514-V537 HydrophobicContact CG2-CG2 4.33Å; L524-V537 HydrophobicContact CD2-CG2 3.91Å; H534-V537 HydrophobicContact CB-CG2 4.36Å; H534-V537 VanDerWaalsContact O-CB 3.29Å; H534-V537 WeakPolarHBondContact O-CB 3.45Å; H534-V537 WeakPolarHBondContact O-CG2 3.5Å; H534-V537 PolarHBondContact O-N 3.46Å; P535-V537 VanDerWaalsContact C-N 3.33Å; V537-R539 VanDerWaalsContact C-N 3.34Å; V537-R539 PolarHBondContact O-N 3.1Å; V537-A540 PolarHBondContact O-N 2.87Å; V537-L541 WeakPolarHBondContact O-CG 3.22Å; V537-L541 PolarHBondContact O-N 2.92Å; V537-V552 HydrophobicContact CG1-CG1 4.45Å; V537-V552 HydrophobicContact CG1-CG2 3.87Å
538	D	88.3	Confident	85.3	Confident	48 Å²	48	52.1 Å²	52.1	26%	0.257	30%	0.301	S	S	.	.	H	α-helix	trans	-64.9	-34.6	174.3	-67.2	-70	0	0	0	113.2	R478 K542	R478-D538 IonicContact CZ-OD1 3.85Å; R478-D538 VanDerWaalsContact CZ-OD1 3.28Å; R478-D538 IonicContact NH1-OD1 3.92Å; R478-D538 PolarHBondContact NH1-OD1 3.27Å; R478-D538 IonicContact NH2-OD1 3.43Å; R478-D538 PolarHBondContact NH2-OD1 3.22Å; R478-D538 IonicContact NH2-OD2 2.92Å; R478-D538 PolarHBondContact NH2-OD2 3.07Å; D538-K542 WeakPolarHBondContact O-CB 3.36Å; D538-K542 VanDerWaalsContact O-CG 3.23Å; D538-K542 WeakPolarHBondContact O-CG 3.46Å; D538-K542 PolarHBondContact O-N 3.44Å; D538-K542 VanDerWaalsContact O-N 3.07Å
539	R	87.4	Confident	85.5	Confident	99 Å²	99	50.4 Å²	50.4	37%	0.374	29%	0.292	S	S	.	.	H	α-helix	trans	-66.1	-42.7	171.9	-72.4	-176.8	-57	-112.6	10.8	111.5	S521 P535 A536 V537 K542 S543	S521-R539 PolarHBondContact O-NH2 3.19Å; S521-R539 PolarHBondContact OG-NH2 3.28Å; P535-R539 WeakPolarHBondContact O-CG 3.43Å; P535-R539 PolarHBondContact O-N 3.15Å; A536-R539 PolarHBondContact O-N 3.46Å; V537-R539 VanDerWaalsContact C-N 3.34Å; V537-R539 PolarHBondContact O-N 3.1Å; R539-K542 PolarHBondContact O-N 2.77Å; R539-S543 WeakPolarHBondContact O-CB 3.3Å; R539-S543 PolarHBondContact O-N 3.01Å; R539-S543 PolarHBondContact O-OG 2.61Å
540	A	88	Confident	85.8	Confident	5 Å²	5	50 Å²	50	4%	0.041	29%	0.287	C	S	.	.	H	α-helix	trans	-62.3	-47.3	177.6	0	0	0	0	0	111.9	V514 A536 V537 K542 S543 C544 V552	V514-A540 HydrophobicContact CG1-CB 3.83Å; A536-A540 WeakPolarHBondContact O-CB 3.36Å; A536-A540 PolarHBondContact O-N 2.75Å; V537-A540 PolarHBondContact O-N 2.87Å; A540-K542 VanDerWaalsContact C-N 3.35Å; A540-K542 PolarHBondContact O-N 2.87Å; A540-S543 WeakPolarHBondContact CA-OG 3.3Å; A540-S543 PolarHBondContact O-N 2.85Å; A540-S543 PolarHBondContact O-OG 3.03Å; A540-C544 PolarHBondContact O-N 3.49Å; A540-V552 HydrophobicContact CB-CB 4.49Å; A540-V552 HydrophobicContact CB-CG1 3.89Å; A540-V552 HydrophobicContact CB-CG2 4.16Å
541	L	87.6	Confident	85.8	Confident	36 Å²	36	44.6 Å²	44.6	19%	0.188	27%	0.268	C	S	.	.	H	α-helix	trans	-57.4	-45	174.5	-73.2	170.6	0	0	0	112.1	V451 V537 S543 C544 P550 V552	V451-L541 HydrophobicContact CG1-CD2 4.28Å; V451-L541 HydrophobicContact CG2-CD1 4.02Å; V537-L541 WeakPolarHBondContact O-CG 3.22Å; V537-L541 PolarHBondContact O-N 2.92Å; L541-S543 PolarHBondContact O-N 2.9Å; L541-C544 WeakPolarHBondContact O-CB 3.49Å; L541-C544 PolarHBondContact O-N 2.93Å; L541-P550 HydrophobicContact CD2-CB 4.24Å; L541-V552 HydrophobicContact CD1-CG2 4.46Å; L541-V552 HydrophobicContact CD2-CG2 3.68Å; L541-V552 HydrophobicContact CG-CG2 3.63Å
542	K	84.7	Confident	86	Confident	184 Å²	184	44.6 Å²	44.6	80%	0.8	27%	0.268	S	S	*	.	H	α-helix	trans	-70.1	-12.8	176.5	-70.8	173.5	-177.5	-178.1	0	114.3	D538 R539 A540	D538-K542 WeakPolarHBondContact O-CB 3.36Å; D538-K542 VanDerWaalsContact O-CG 3.23Å; D538-K542 WeakPolarHBondContact O-CG 3.46Å; D538-K542 PolarHBondContact O-N 3.44Å; D538-K542 VanDerWaalsContact O-N 3.07Å; R539-K542 PolarHBondContact O-N 2.77Å; A540-K542 VanDerWaalsContact C-N 3.35Å; A540-K542 PolarHBondContact O-N 2.87Å
543	S	81	Confident	86.1	Confident	82 Å²	82	45.3 Å²	45.3	57%	0.573	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.7	3.9	175.8	69.6	0	0	0	0	113.9	R539 A540 L541 G545	R539-S543 WeakPolarHBondContact O-CB 3.3Å; R539-S543 PolarHBondContact O-N 3.01Å; R539-S543 PolarHBondContact O-OG 2.61Å; A540-S543 WeakPolarHBondContact CA-OG 3.3Å; A540-S543 PolarHBondContact O-N 2.85Å; A540-S543 PolarHBondContact O-OG 3.03Å; L541-S543 PolarHBondContact O-N 2.9Å; S543-G545 PolarHBondContact O-N 2.77Å
544	C	80.8	Confident	86.3	Confident	40 Å²	40	42.7 Å²	42.7	27%	0.27	25%	0.253	S	S	.	.			trans	-69	113.6	169.5	-68.6	0	0	0	0	109.7	A540 L541 H551	A540-C544 PolarHBondContact O-N 3.49Å; L541-C544 WeakPolarHBondContact O-CB 3.49Å; L541-C544 PolarHBondContact O-N 2.93Å; C544-H551 PolarHBondContact SG-N 3.5Å; C544-H551 VanDerWaalsContact SG-N 3.42Å; C544-H551 PolarHBondContact SG-O 3.09Å
545	G	77.1	Confident	86.4	Confident	40 Å²	40	41 Å²	41	41%	0.412	25%	0.245	S	C	.	.			trans	-67.3	165.2	166.7	0	0	0	0	0	111.9	S543	S543-G545 PolarHBondContact O-N 2.77Å
546	P	78.6	Confident	86.7	Confident	68 Å²	68	37.4 Å²	37.4	44%	0.442	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	160.2	-177.1	24.2	-33.4	0	0	0	113.6	S378 D379 D380	S378-P546 CarbonylContact C-O 3.58Å; S378-P546 WeakPolarHBondContact CA-O 3.32Å; D379-P546 PolarHBondContact N-O 2.59Å; D380-P546 WeakPolarHBondContact OD2-CG 3.37Å
547	G	73.9	Confident	86.9	Confident	26 Å²	26	37.9 Å²	37.9	27%	0.268	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	113	-27.5	167.9	0	0	0	0	0	116.5	R349 D379	R349-G547 WeakPolarHBondContact CD-O 3.24Å; R349-G547 VanDerWaalsContact CZ-C 3.48Å; R349-G547 PolarHBondContact NE-O 2.81Å; R349-G547 VanDerWaalsContact NE-O 3.14Å; D379-G547 WeakPolarHBondContact OD2-CA 3.41Å
548	G	83.9	Confident	87	Confident	22 Å²	22	38 Å²	38	23%	0.227	23%	0.225	C	C	.	.	S	Bend	trans	-128.7	167.4	176.7	0	0	0	0	0	112.7
549	P	88.3	Confident	87	Confident	9 Å²	9	37.4 Å²	37.4	6%	0.058	23%	0.23	C	C	.	.			trans	-57	140.8	176.6	-28.7	37.8	0	0	0	112.6	D361 I364 A397 L452 H551	D361-P549 WeakPolarHBondContact O-CD 3.36Å; D361-P549 WeakPolarHBondContact O-CG 3.2Å; I364-P549 HydrophobicContact CD1-CB 4.38Å; A397-P549 HydrophobicContact CB-CB 4.37Å; A397-P549 HydrophobicContact CB-CG 3.81Å; L452-P549 HydrophobicContact CD2-CB 3.87Å; P549-H551 PolarHBondContact O-N 2.78Å; P549-H551 PolarHBondContact O-ND1 2.85Å
550	P	89.2	Confident	87	Confident	88 Å²	88	36 Å²	36	57%	0.571	23%	0.227	S	C	*	.			trans	-57.6	125.4	174	-24.9	34.6	0	0	0	111.3	L541	L541-P550 HydrophobicContact CD2-CB 4.24Å
551	H	90.9	Very high	86.9	Confident	19 Å²	19	40.3 Å²	40.3	9%	0.088	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	166.6	-170.7	63.1	-84.9	0	0	0	112.1	I364 L452 L454 C544 P549	I364-H551 HydrophobicContact CD1-CB 4.03Å; I364-H551 VanDerWaalsContact CG2-CE1 3.41Å; I364-H551 WeakPolarHBondContact CG2-CE1 3.35Å; L452-H551 HydrophobicContact CB-CB 4.17Å; L452-H551 HydrophobicContact CD2-CB 4.21Å; L452-H551 HydrophobicContact CG-CB 4.29Å; L452-H551 CarbonylContact O-C 3.47Å; L452-H551 VanDerWaalsContact O-CA 3.29Å; L452-H551 WeakPolarHBondContact O-CA 3.34Å; L454-H551 HydrophobicContact CD1-CB 3.96Å; C544-H551 PolarHBondContact SG-N 3.5Å; C544-H551 VanDerWaalsContact SG-N 3.42Å; C544-H551 PolarHBondContact SG-O 3.09Å; P549-H551 PolarHBondContact O-N 2.78Å; P549-H551 PolarHBondContact O-ND1 2.85Å
552	V	92.1	Very high	86.8	Confident	0 Å²	0	40 Å²	40	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.1	176.5	-177.9	0	0	0	0	109.4	V451 L452 L453 L454 V514 V537 A540 L541 L554	V451-V552 HydrophobicContact CG1-CG2 3.93Å; L452-V552 PolarHBondContact O-N 2.8Å; L453-V552 WeakPolarHBondContact CA-O 3.42Å; L453-V552 HydrophobicContact CD2-CB 4.02Å; L454-V552 PolarHBondContact N-O 3.46Å; V514-V552 HydrophobicContact CG1-CG1 3.94Å; V537-V552 HydrophobicContact CG1-CG1 4.45Å; V537-V552 HydrophobicContact CG1-CG2 3.87Å; A540-V552 HydrophobicContact CB-CB 4.49Å; A540-V552 HydrophobicContact CB-CG1 3.89Å; A540-V552 HydrophobicContact CB-CG2 4.16Å; L541-V552 HydrophobicContact CD1-CG2 4.46Å; L541-V552 HydrophobicContact CD2-CG2 3.68Å; L541-V552 HydrophobicContact CG-CG2 3.63Å; V552-L554 HydrophobicContact CG1-CD2 3.71Å; V552-L554 HydrophobicContact CG1-CG 4.13Å
553	K	92.8	Very high	87	Confident	16 Å²	16	32.1 Å²	32.1	7%	0.07	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	120.4	175.3	-58.3	-165.7	-51.9	-169.2	0	109.4	S366 F373 R375 S376 L454 V515	S366-K553 WeakPolarHBondContact OG-CD 3.47Å; S366-K553 PolarHBondContact OG-NZ 3Å; F373-K553 HydrophobicContact CB-CD 4.3Å; F373-K553 HydrophobicContact CD1-CD 3.88Å; F373-K553 HydrophobicContact CD2-CB 3.93Å; F373-K553 HydrophobicContact CD2-CD 4.48Å; F373-K553 HydrophobicContact CE1-CD 4.29Å; F373-K553 HydrophobicContact CE2-CB 4.17Å; F373-K553 HydrophobicContact CG-CB 4.27Å; F373-K553 HydrophobicContact CG-CD 3.99Å; R375-K553 PolarHBondContact O-NZ 2.96Å; S376-K553 WeakPolarHBondContact OG-CE 3.46Å; S376-K553 PolarHBondContact OG-NZ 2.99Å; L454-K553 HydrophobicContact CB-CG 4.2Å; L454-K553 HydrophobicContact CD2-CG 4.48Å; L454-K553 CarbonylContact O-C 3.59Å; L454-K553 WeakPolarHBondContact O-CA 3.16Å; V515-K553 HydrophobicContact CB-CB 3.97Å; V515-K553 WeakPolarHBondContact CB-O 3.46Å; V515-K553 HydrophobicContact CG2-CB 4.12Å; V515-K553 WeakPolarHBondContact CG2-O 3.42Å; V515-K553 PolarHBondContact N-O 2.8Å
554	L	93.1	Very high	87.2	Confident	1 Å²	1	31.4 Å²	31.4	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	134.2	-177.7	-62	-177.9	0	0	0	110.6	L453 L454 M455 C456 V512 R513 V514 V552	L453-L554 HydrophobicContact CB-CD1 4.46Å; L453-L554 HydrophobicContact CD1-CD1 4.11Å; L453-L554 HydrophobicContact CD2-CD1 3.85Å; L453-L554 HydrophobicContact CG-CD1 4.37Å; L454-L554 PolarHBondContact O-N 2.81Å; M455-L554 WeakPolarHBondContact CA-O 3.34Å; M455-L554 HydrophobicContact CE-CB 3.66Å; M455-L554 HydrophobicContact CE-CD1 3.76Å; M455-L554 HydrophobicContact CE-CG 4.35Å; M455-L554 HydrophobicContact CG-CB 4.33Å; C456-L554 PolarHBondContact N-O 3.44Å; V512-L554 HydrophobicContact CG1-CB 4.23Å; V512-L554 HydrophobicContact CG1-CD1 3.95Å; V512-L554 HydrophobicContact CG1-CD2 4.16Å; V512-L554 HydrophobicContact CG1-CG 4.35Å; R513-L554 CarbonylContact O-C 3.57Å; R513-L554 WeakPolarHBondContact O-CA 3.35Å; V514-L554 HydrophobicContact CB-CD2 4.2Å; V514-L554 HydrophobicContact CG1-CD2 4.35Å; V514-L554 HydrophobicContact CG2-CD2 3.82Å; V552-L554 HydrophobicContact CG1-CD2 3.71Å; V552-L554 HydrophobicContact CG1-CG 4.13Å
555	V	92.7	Very high	87.4	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	127.9	169.8	-175.5	0	0	0	0	108.6	F373 T458 R513 V515 E557	F373-V555 HydrophobicContact CD2-CG2 4.47Å; T458-V555 HydrophobicContact CG2-CG1 3.81Å; T458-V555 VanDerWaalsContact OG1-CG1 3.28Å; T458-V555 WeakPolarHBondContact OG1-CG1 3.4Å; R513-V555 HydrophobicContact CB-CB 4.47Å; R513-V555 PolarHBondContact N-O 2.95Å; R513-V555 PolarHBondContact O-N 3.48Å; V515-V555 HydrophobicContact CG2-CG2 3.73Å; V555-E557 HydrophobicContact CG1-CG 4.01Å
556	I	93.2	Very high	87.7	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	106.5	174.5	-52.4	166	0	0	0	107.2	M455 C456 N457 T458 F472 I489 Q493 F510 W558	M455-I556 HydrophobicContact CB-CD1 4.36Å; M455-I556 HydrophobicContact CE-CD1 3.57Å; M455-I556 HydrophobicContact CE-CG1 3.51Å; M455-I556 HydrophobicContact SD-CD1 4.08Å; C456-I556 PolarHBondContact O-N 3.38Å; N457-I556 WeakPolarHBondContact OD1-CD1 3.49Å; T458-I556 PolarHBondContact N-O 2.83Å; F472-I556 HydrophobicContact CE1-CD1 4.24Å; F472-I556 HydrophobicContact CZ-CD1 3.96Å; I489-I556 HydrophobicContact CG2-CD1 3.62Å; Q493-I556 VanDerWaalsContact NE2-CD1 3.28Å; F510-I556 HydrophobicContact CB-CG2 3.91Å; F510-I556 HydrophobicContact CD1-CG2 4.4Å; F510-I556 HydrophobicContact CD2-CG2 3.54Å; F510-I556 HydrophobicContact CE2-CG2 4.09Å; F510-I556 HydrophobicContact CG-CG2 3.71Å; I556-W558 HydrophobicContact CG2-CD2 4.49Å; I556-W558 HydrophobicContact CG2-CZ2 4.01Å; I556-W558 VanDerWaalsContact CG2-NE1 3.3Å
557	E	92.3	Very high	88	Confident	10 Å²	10	32.8 Å²	32.8	5%	0.047	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	112	-177.6	-62.3	-169.4	162.8	0	0	110.6	T458 S461 K511 R513 Y523 V555	T458-E557 WeakPolarHBondContact O-CA 3.23Å; S461-E557 VanDerWaalsContact CB-CD 3.48Å; S461-E557 WeakPolarHBondContact CB-OE2 3.3Å; K511-E557 HydrophobicContact CB-CB 4.37Å; K511-E557 PolarHBondContact N-O 2.84Å; K511-E557 PolarHBondContact O-N 2.83Å; R513-E557 IonicContact CZ-OE1 3.05Å; R513-E557 IonicContact NE-OE1 2.84Å; R513-E557 PolarHBondContact NE-OE1 3.1Å; R513-E557 IonicContact NH2-OE1 3.09Å; R513-E557 PolarHBondContact NH2-OE1 3.06Å; Y523-E557 WeakPolarHBondContact CE1-OE2 3.5Å; Y523-E557 PolarHBondContact OH-OE2 2.73Å; V555-E557 HydrophobicContact CG1-CG 4.01Å
558	W	91.2	Very high	88.5	Confident	3 Å²	3	32.3 Å²	32.3	1%	0.011	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	138	-177.2	-64.2	86.8	0	0	0	111.5	N457 T458 G460 F468 L490 V508 F510 I556 K563 L566 F567	N457-W558 VanDerWaalsContact CG-NE1 3.35Å; N457-W558 PolarHBondContact OD1-NE1 2.9Å; T458-W558 PolarHBondContact O-N 3.49Å; G460-W558 PolarHBondContact N-O 2.78Å; F468-W558 HydrophobicContact CE1-CB 4.2Å; F468-W558 AromaticContact CE1-CD1 3.58Å; F468-W558 HydrophobicContact CE1-CG 4.01Å; F468-W558 HydrophobicContact CZ-CB 4.32Å; F468-W558 AromaticContact CZ-CD1 3.47Å; F468-W558 VanDerWaalsContact CZ-CD1 3.47Å; F468-W558 HydrophobicContact CZ-CD2 4.32Å; F468-W558 AromaticContact CZ-CG 3.8Å; F468-W558 HydrophobicContact CZ-CG 3.8Å; F468-W558 AromaticContact CZ-NE1 3.79Å; L490-W558 HydrophobicContact CD2-CH2 3.95Å; V508-W558 HydrophobicContact CG1-CH2 4.23Å; V508-W558 HydrophobicContact CG1-CZ3 3.58Å; F510-W558 HydrophobicContact CB-CD2 4.01Å; F510-W558 HydrophobicContact CB-CE3 3.97Å; F510-W558 HydrophobicContact CB-CZ3 4.23Å; F510-W558 HydrophobicContact CD1-CE3 4.34Å; F510-W558 AromaticContact CD1-CH2 3.49Å; F510-W558 HydrophobicContact CD1-CH2 3.49Å; F510-W558 VanDerWaalsContact CD1-CH2 3.49Å; F510-W558 AromaticContact CD1-CZ2 3.89Å; F510-W558 HydrophobicContact CD1-CZ2 3.89Å; F510-W558 AromaticContact CD1-CZ3 3.74Å; F510-W558 HydrophobicContact CD1-CZ3 3.74Å; F510-W558 HydrophobicContact CE1-CH2 4.02Å; F510-W558 HydrophobicContact CE1-CZ2 4.39Å; F510-W558 HydrophobicContact CG-CH2 4.32Å; F510-W558 HydrophobicContact CG-CZ2 4.39Å; F510-W558 HydrophobicContact CG-CZ3 4.44Å; I556-W558 HydrophobicContact CG2-CD2 4.49Å; I556-W558 HydrophobicContact CG2-CZ2 4.01Å; I556-W558 VanDerWaalsContact CG2-NE1 3.3Å; W558-K563 HydrophobicContact CB-CB 4.29Å; W558-L566 HydrophobicContact CH2-CD1 4.44Å; W558-L566 HydrophobicContact CZ3-CD1 3.72Å; W558-F567 HydrophobicContact CD2-CE2 4.14Å; W558-F567 AromaticContact CE2-CE2 3.93Å; W558-F567 HydrophobicContact CE3-CE2 4.12Å; W558-F567 AromaticContact CH2-CE2 3.71Å; W558-F567 HydrophobicContact CH2-CE2 3.71Å; W558-F567 AromaticContact CH2-CZ 3.96Å; W558-F567 HydrophobicContact CH2-CZ 3.96Å; W558-F567 AromaticContact CZ2-CE2 3.73Å; W558-F567 HydrophobicContact CZ2-CE2 3.73Å; W558-F567 AromaticContact CZ2-CZ 3.91Å; W558-F567 HydrophobicContact CZ2-CZ 3.91Å; W558-F567 AromaticContact CZ3-CE2 3.91Å; W558-F567 HydrophobicContact CZ3-CE2 3.91Å
559	G	89	Confident	88.3	Confident	36 Å²	36	37.3 Å²	37.3	37%	0.371	21%	0.207	S	C	.	.			trans	-64.6	140.3	164.3	0	0	0	0	0	110.7	S561 S562 K563	G559-S561 VanDerWaalsContact C-N 3.29Å; G559-S561 PolarHBondContact O-N 2.96Å; G559-S562 WeakPolarHBondContact O-CA 3.29Å; G559-S562 WeakPolarHBondContact O-CB 3.26Å; G559-S562 PolarHBondContact O-N 2.91Å; G559-K563 PolarHBondContact O-N 2.81Å
560	H	87.5	Confident	87.8	Confident	69 Å²	69	39 Å²	39	32%	0.319	22%	0.215	S	C	.	.	H	α-helix	trans	-54.7	-43.6	-177.1	-168.6	-38.8	0	0	0	112.3	T459 S562 K563 E564	T459-H560 HydrophobicContact CG2-CB 4.1Å; H560-S562 VanDerWaalsContact C-N 3.3Å; H560-S562 PolarHBondContact O-N 2.79Å; H560-K563 PolarHBondContact O-N 2.82Å; H560-E564 IonicContact CE1-OE1 2.77Å; H560-E564 PolarHBondContact CE1-OE1 2.98Å; H560-E564 IonicContact ND1-OE1 3.76Å; H560-E564 WeakPolarHBondContact O-CG 3.36Å; H560-E564 PolarHBondContact O-N 3.04Å
561	S	85.5	Confident	86.8	Confident	95 Å²	95	41.6 Å²	41.6	66%	0.664	22%	0.219	S	C	*	.	H	α-helix	trans	-65.2	-32.7	176.5	-43.7	0	0	0	0	113	G559 R565	G559-S561 VanDerWaalsContact C-N 3.29Å; G559-S561 PolarHBondContact O-N 2.96Å; S561-R565 VanDerWaalsContact O-CB 3.31Å; S561-R565 WeakPolarHBondContact O-CB 3.11Å; S561-R565 PolarHBondContact O-N 3.46Å; S561-R565 VanDerWaalsContact O-N 3.17Å
562	S	85.4	Confident	85.6	Confident	31 Å²	31	45.3 Å²	45.3	22%	0.217	24%	0.237	C	C	.	.	H	α-helix	trans	-72.2	-43.4	176.7	-45.3	0	0	0	0	111	G559 H560 R565 L566	G559-S562 WeakPolarHBondContact O-CA 3.29Å; G559-S562 WeakPolarHBondContact O-CB 3.26Å; G559-S562 PolarHBondContact O-N 2.91Å; H560-S562 VanDerWaalsContact C-N 3.3Å; H560-S562 PolarHBondContact O-N 2.79Å; S562-R565 PolarHBondContact O-N 3.13Å; S562-L566 WeakPolarHBondContact O-CB 3.42Å; S562-L566 WeakPolarHBondContact O-CG 3.31Å; S562-L566 PolarHBondContact O-N 2.84Å
563	K	88.1	Confident	84.5	Confident	18 Å²	18	46.6 Å²	46.6	8%	0.078	24%	0.243	C	C	.	.	H	α-helix	trans	-61.2	-49.6	175	174.4	-91.5	-171.7	-167.6	0	111.3	T459 F468 W558 G559 H560 R565 L566 F567 G568	T459-K563 WeakPolarHBondContact OG1-CG 3.33Å; F468-K563 HydrophobicContact CD1-CG 4.14Å; F468-K563 HydrophobicContact CD2-CG 4.22Å; F468-K563 HydrophobicContact CE1-CB 4.35Å; F468-K563 HydrophobicContact CE1-CG 3.83Å; F468-K563 HydrophobicContact CE2-CG 3.95Å; F468-K563 HydrophobicContact CG-CG 4.31Å; F468-K563 HydrophobicContact CZ-CB 4.23Å; F468-K563 HydrophobicContact CZ-CG 3.73Å; W558-K563 HydrophobicContact CB-CB 4.29Å; G559-K563 PolarHBondContact O-N 2.81Å; H560-K563 PolarHBondContact O-N 2.82Å; K563-R565 VanDerWaalsContact C-N 3.32Å; K563-R565 PolarHBondContact O-N 3.09Å; K563-L566 PolarHBondContact O-N 2.66Å; K563-F567 WeakPolarHBondContact O-CA 3.33Å; K563-F567 WeakPolarHBondContact O-CB 3.24Å; K563-F567 PolarHBondContact O-N 2.93Å; K563-G568 WeakPolarHBondContact CE-O 3.34Å; K563-G568 PolarHBondContact NZ-O 2.9Å; K563-G568 PolarHBondContact O-N 3.48Å
564	E	85.9	Confident	83.5	Confident	67 Å²	67	52.5 Å²	52.5	31%	0.313	28%	0.28	S	S	.	.	H	α-helix	trans	-64.2	-37.7	-179.2	-62	-44.8	146.1	0	0	112.3	H560 G568	H560-E564 IonicContact CE1-OE1 2.77Å; H560-E564 PolarHBondContact CE1-OE1 2.98Å; H560-E564 IonicContact ND1-OE1 3.76Å; H560-E564 WeakPolarHBondContact O-CG 3.36Å; H560-E564 PolarHBondContact O-N 3.04Å; E564-G568 WeakPolarHBondContact O-CA 3.33Å; E564-G568 PolarHBondContact O-N 2.84Å; E564-G568 VanDerWaalsContact O-N 3.13Å
565	R	84.5	Confident	82.9	Confident	167 Å²	167	54 Å²	54	63%	0.63	29%	0.289	S	S	*	.	H	α-helix	trans	-65.4	-42.1	177.8	-175.1	-172.4	-64.9	170.2	-2	113	S561 S562 K563	S561-R565 VanDerWaalsContact O-CB 3.31Å; S561-R565 WeakPolarHBondContact O-CB 3.11Å; S561-R565 PolarHBondContact O-N 3.46Å; S561-R565 VanDerWaalsContact O-N 3.17Å; S562-R565 PolarHBondContact O-N 3.13Å; K563-R565 VanDerWaalsContact C-N 3.32Å; K563-R565 PolarHBondContact O-N 3.09Å
566	L	83.3	Confident	82.6	Confident	6 Å²	6	61.1 Å²	61.1	3%	0.031	32%	0.32	C	S	.	.	H	α-helix	trans	-96.2	-30.1	-169.9	-60.7	175.5	0	0	0	113.5	M497 V498 V508 W558 S562 K563	M497-L566 CarbonylContact C-O 3.56Å; M497-L566 VanDerWaalsContact CA-O 3.27Å; M497-L566 WeakPolarHBondContact CA-O 3.43Å; M497-L566 HydrophobicContact CE-CD2 4.06Å; V498-L566 PolarHBondContact N-O 2.77Å; V508-L566 HydrophobicContact CB-CD1 4.5Å; V508-L566 HydrophobicContact CG1-CD1 3.67Å; V508-L566 HydrophobicContact CG2-CD1 3.91Å; W558-L566 HydrophobicContact CH2-CD1 4.44Å; W558-L566 HydrophobicContact CZ3-CD1 3.72Å; S562-L566 WeakPolarHBondContact O-CB 3.42Å; S562-L566 WeakPolarHBondContact O-CG 3.31Å; S562-L566 PolarHBondContact O-N 2.84Å; K563-L566 PolarHBondContact O-N 2.66Å
567	F	86.2	Confident	82.4	Confident	4 Å²	4	64.6 Å²	64.6	2%	0.018	34%	0.338	C	S	.	.	H	α-helix	trans	-125.9	-15.1	-173	-57.4	-72.8	0	0	0	113.5	F468 Q493 L496 M497 W558 K563 I570	F468-F567 HydrophobicContact CE2-CB 4.08Å; F468-F567 HydrophobicContact CE2-CD1 4.42Å; F468-F567 AromaticContact CE2-CD2 3.52Å; F468-F567 HydrophobicContact CE2-CD2 3.52Å; F468-F567 AromaticContact CE2-CE2 4Å; F468-F567 HydrophobicContact CE2-CE2 4Å; F468-F567 AromaticContact CE2-CG 3.76Å; F468-F567 HydrophobicContact CE2-CG 3.76Å; F468-F567 AromaticContact CZ-CD2 3.88Å; F468-F567 HydrophobicContact CZ-CD2 3.88Å; F468-F567 HydrophobicContact CZ-CE2 4.13Å; Q493-F567 HydrophobicContact CB-CE1 4.33Å; Q493-F567 HydrophobicContact CB-CZ 4.47Å; L496-F567 HydrophobicContact CB-CD1 3.96Å; L496-F567 HydrophobicContact CB-CE1 4.06Å; M497-F567 HydrophobicContact CG-CD1 4.24Å; M497-F567 HydrophobicContact CG-CE1 3.66Å; M497-F567 HydrophobicContact CG-CZ 4.25Å; W558-F567 HydrophobicContact CD2-CE2 4.14Å; W558-F567 AromaticContact CE2-CE2 3.93Å; W558-F567 HydrophobicContact CE3-CE2 4.12Å; W558-F567 AromaticContact CH2-CE2 3.71Å; W558-F567 HydrophobicContact CH2-CE2 3.71Å; W558-F567 AromaticContact CH2-CZ 3.96Å; W558-F567 HydrophobicContact CH2-CZ 3.96Å; W558-F567 AromaticContact CZ2-CE2 3.73Å; W558-F567 HydrophobicContact CZ2-CE2 3.73Å; W558-F567 AromaticContact CZ2-CZ 3.91Å; W558-F567 HydrophobicContact CZ2-CZ 3.91Å; W558-F567 AromaticContact CZ3-CE2 3.91Å; W558-F567 HydrophobicContact CZ3-CE2 3.91Å; K563-F567 WeakPolarHBondContact O-CA 3.33Å; K563-F567 WeakPolarHBondContact O-CB 3.24Å; K563-F567 PolarHBondContact O-N 2.93Å; F567-I570 HydrophobicContact CB-CD1 4.16Å; F567-I570 HydrophobicContact CD1-CD1 4.35Å; F567-I570 WeakPolarHBondContact O-CG1 3.38Å; F567-I570 PolarHBondContact O-N 2.97Å
568	G	84.6	Confident	82.3	Confident	16 Å²	16	64.9 Å²	64.9	17%	0.165	34%	0.342	C	S	.	.			trans	52.2	-143	-177.6	0	0	0	0	0	112.9	K563 E564 I570	K563-G568 WeakPolarHBondContact CE-O 3.34Å; K563-G568 PolarHBondContact NZ-O 2.9Å; K563-G568 PolarHBondContact O-N 3.48Å; E564-G568 WeakPolarHBondContact O-CA 3.33Å; E564-G568 PolarHBondContact O-N 2.84Å; E564-G568 VanDerWaalsContact O-N 3.13Å; G568-I570 PolarHBondContact O-N 2.91Å
569	N	79.6	Confident	82.3	Confident	127 Å²	127	72 Å²	72	68%	0.679	38%	0.376	S	S	*	.	S	Bend	trans	-80.1	49.4	177	-74.6	-23.4	0	0	0	113.7	H571	N569-H571 PolarHBondContact O-CD2 3.02Å; N569-H571 PolarHBondContact O-N 2.85Å
570	I	77.6	Confident	82.4	Confident	44 Å²	44	71.3 Å²	71.3	23%	0.226	37%	0.365	C	S	.	.			trans	-67.8	114.6	159.1	-77.4	173.6	0	0	0	108.4	F468 L496 F567 G568	F468-I570 HydrophobicContact CD2-CG2 4.41Å; L496-I570 HydrophobicContact CB-CD1 3.82Å; L496-I570 HydrophobicContact CD2-CD1 4.27Å; L496-I570 WeakPolarHBondContact O-CD1 3.37Å; F567-I570 HydrophobicContact CB-CD1 4.16Å; F567-I570 HydrophobicContact CD1-CD1 4.35Å; F567-I570 WeakPolarHBondContact O-CG1 3.38Å; F567-I570 PolarHBondContact O-N 2.97Å; G568-I570 PolarHBondContact O-N 2.91Å
571	H	67.3	Low	82.6	Confident	142 Å²	142	68.8 Å²	68.8	66%	0.657	35%	0.354	S	S	*	.			trans	-85.1	-164	175	-73.9	-78.7	0	0	0	111.1	G469 N569	G469-H571 PolarHBondContact N-O 2.9Å; G469-H571 VanDerWaalsContact N-O 3.11Å; N569-H571 PolarHBondContact O-CD2 3.02Å; N569-H571 PolarHBondContact O-N 2.85Å
572	E	65.9	Low	82.7	Confident	98 Å²	98	70.9 Å²	70.9	46%	0.458	35%	0.348	S	S	.	.	S	Bend	trans	-68.8	158	172.8	-162.9	147.7	-141.6	0	0	111.3	R467 V574	R467-E572 IonicContact CZ-OE1 2.69Å; R467-E572 IonicContact NE-OE1 3.88Å; R467-E572 PolarHBondContact NE-OE1 3.32Å; R467-E572 IonicContact NH2-OE1 3.97Å; R467-E572 PolarHBondContact NH2-OE1 3.21Å; E572-V574 PolarHBondContact O-N 3.39Å
573	E	69.8	Low	82.8	Confident	27 Å²	27	71.5 Å²	71.5	13%	0.126	35%	0.352	C	S	.	.			trans	-67.1	123.3	-171.5	175.2	-168.4	163.3	0	0	112.9	Y332 Y393 R467 P470 P471 V575	Y332-E573 WeakPolarHBondContact CB-OE1 3.22Å; Y332-E573 WeakPolarHBondContact CD1-OE1 3.27Å; Y393-E573 PolarHBondContact OH-OE2 2.82Å; R467-E573 IonicContact NH1-OE2 3.45Å; R467-E573 PolarHBondContact NH1-OE2 2.89Å; P470-E573 WeakPolarHBondContact CA-OE2 3.3Å; P470-E573 HydrophobicContact CB-CB 4.25Å; P470-E573 HydrophobicContact CB-CG 3.85Å; P471-E573 WeakPolarHBondContact CD-OE2 3.46Å; E573-V575 VanDerWaalsContact C-N 3.34Å; E573-V575 HydrophobicContact CG-CG2 3.93Å; E573-V575 PolarHBondContact O-N 2.95Å
574	V	70.3	Confident	82.8	Confident	140 Å²	140	72.2 Å²	72.2	85%	0.848	36%	0.356	S	S	*	.			trans	-80.4	84.1	171.5	-174.4	0	0	0	0	109.4	E572	E572-V574 PolarHBondContact O-N 3.39Å
575	V	81.6	Confident	82.6	Confident	31 Å²	31	75 Å²	75	19%	0.188	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-64.9	146.7	169.3	-166.1	0	0	0	0	109.3	T322 Q334 E573	T322-V575 HydrophobicContact CG2-CG1 3.92Å; T322-V575 HydrophobicContact CG2-CG2 4.05Å; Q334-V575 HydrophobicContact CB-CG1 3.74Å; E573-V575 VanDerWaalsContact C-N 3.34Å; E573-V575 HydrophobicContact CG-CG2 3.93Å; E573-V575 PolarHBondContact O-N 2.95Å
576	K	85.3	Confident	82.5	Confident	153 Å²	153	73 Å²	73	67%	0.665	37%	0.367	S	S	*	.	P	Polyproline II helix	trans	-98.6	133.6	170.6	-67.8	-176.4	178.6	-179	0	110.4	L333 Q334	L333-K576 WeakPolarHBondContact CD1-O 3.5Å; Q334-K576 PolarHBondContact N-O 2.84Å
577	D	90.3	Very high	82.2	Confident	72 Å²	72	76.8 Å²	76.8	39%	0.385	38%	0.384	S	S	.	.	B	Isolated β-bridge	trans	-70.6	135.2	170.2	-29	-32.8	0	0	0	111.1	V581 R582	D577-V581 HydrophobicContact CB-CB 4.07Å; D577-V581 HydrophobicContact CB-CG1 4.39Å; D577-V581 HydrophobicContact CB-CG2 4.04Å; D577-R582 IonicContact OD2-CZ 2.86Å; D577-R582 IonicContact OD2-NH2 3.05Å; D577-R582 PolarHBondContact OD2-NH2 2.74Å
578	A	90.2	Very high	81.7	Confident	16 Å²	16	79.2 Å²	79.2	13%	0.132	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-71.7	161.9	160.2	0	0	0	0	0	110.9	L333 Q334 V335 S580 V581	L333-A578 HydrophobicContact CD1-CB 3.79Å; L333-A578 HydrophobicContact CD2-CB 4.34Å; L333-A578 HydrophobicContact CG-CB 4.15Å; Q334-A578 WeakPolarHBondContact O-CB 3.44Å; Q334-A578 PolarHBondContact O-N 2.87Å; V335-A578 HydrophobicContact CG1-CB 3.93Å; A578-S580 PolarHBondContact O-N 3.24Å; A578-V581 WeakPolarHBondContact O-CB 3.33Å; A578-V581 PolarHBondContact O-N 2.81Å; A578-V581 VanDerWaalsContact O-N 3.17Å
579	E	90.1	Very high	81.1	Confident	153 Å²	153	83.9 Å²	83.9	72%	0.715	42%	0.416	S	S	*	.	H	α-helix	trans	-59.6	-32.7	173.2	-173.2	168.8	-170.3	0	0	112.1	V581 R582 S583	E579-V581 PolarHBondContact O-N 3.04Å; E579-R582 PolarHBondContact O-N 2.88Å; E579-S583 PolarHBondContact O-N 2.94Å; E579-S583 PolarHBondContact O-OG 3.18Å
580	S	91.9	Very high	80.4	Confident	22 Å²	22	83.7 Å²	83.7	15%	0.154	41%	0.411	C	S	.	.	H	α-helix	trans	-58	-30.5	176.2	57.9	0	0	0	0	113.8	G336 E355 A578 Q584	G336-S580 PolarHBondContact N-OG 2.85Å; E355-S580 WeakPolarHBondContact OE1-CB 3.14Å; E355-S580 PolarHBondContact OE1-OG 2.64Å; A578-S580 PolarHBondContact O-N 3.24Å; S580-Q584 VanDerWaalsContact O-CB 3.29Å; S580-Q584 WeakPolarHBondContact O-CB 3.26Å; S580-Q584 WeakPolarHBondContact O-CG 3.38Å; S580-Q584 PolarHBondContact O-N 3.44Å
581	V	90.5	Very high	79.8	Confident	15 Å²	15	85.8 Å²	85.8	9%	0.091	42%	0.42	C	S	.	.	H	α-helix	trans	-60.2	-49.3	173.3	-178.9	0	0	0	0	110.6	Q334 D577 A578 E579 Q585	Q334-V581 HydrophobicContact CG-CG2 4.17Å; Q334-V581 WeakPolarHBondContact O-CG2 3.41Å; D577-V581 HydrophobicContact CB-CB 4.07Å; D577-V581 HydrophobicContact CB-CG1 4.39Å; D577-V581 HydrophobicContact CB-CG2 4.04Å; A578-V581 WeakPolarHBondContact O-CB 3.33Å; A578-V581 PolarHBondContact O-N 2.81Å; A578-V581 VanDerWaalsContact O-N 3.17Å; E579-V581 PolarHBondContact O-N 3.04Å; V581-Q585 WeakPolarHBondContact O-CB 3.32Å; V581-Q585 PolarHBondContact O-N 2.95Å
582	R	87.6	Confident	80.1	Confident	139 Å²	139	80.5 Å²	80.5	53%	0.525	40%	0.395	S	S	.	.	H	α-helix	trans	-71.1	-42.2	-178.8	-58.4	-170.8	-170.1	99.6	20.7	111.4	D577 E579 Q584 Q585 Q586	D577-R582 IonicContact OD2-CZ 2.86Å; D577-R582 IonicContact OD2-NH2 3.05Å; D577-R582 PolarHBondContact OD2-NH2 2.74Å; E579-R582 PolarHBondContact O-N 2.88Å; R582-Q584 PolarHBondContact O-N 3.31Å; R582-Q585 PolarHBondContact O-N 3.24Å; R582-Q586 WeakPolarHBondContact O-CB 3.24Å; R582-Q586 PolarHBondContact O-N 3.32Å
583	S	88.1	Confident	81.1	Confident	44 Å²	44	78.3 Å²	78.3	31%	0.308	39%	0.387	S	S	.	.	H	α-helix	trans	-59.8	-45.4	176	-64.1	0	0	0	0	111.9	E579 Q586 Q587	E579-S583 PolarHBondContact O-N 2.94Å; E579-S583 PolarHBondContact O-OG 3.18Å; S583-Q586 PolarHBondContact O-N 3.45Å; S583-Q587 WeakPolarHBondContact O-CB 3.25Å; S583-Q587 VanDerWaalsContact O-CG 3.28Å; S583-Q587 WeakPolarHBondContact O-CG 3.38Å; S583-Q587 PolarHBondContact O-N 2.68Å
584	Q	87.4	Confident	82.1	Confident	33 Å²	33	77.4 Å²	77.4	15%	0.154	38%	0.383	C	S	.	.	H	α-helix	trans	-69.5	-35.9	176	-72.5	-51.7	-39.1	0	0	113	P318 G336 S580 R582 H588	P318-Q584 HydrophobicContact CB-CB 4.47Å; G336-Q584 VanDerWaalsContact O-CG 3.27Å; G336-Q584 WeakPolarHBondContact O-CG 3.31Å; S580-Q584 VanDerWaalsContact O-CB 3.29Å; S580-Q584 WeakPolarHBondContact O-CB 3.26Å; S580-Q584 WeakPolarHBondContact O-CG 3.38Å; S580-Q584 PolarHBondContact O-N 3.44Å; R582-Q584 PolarHBondContact O-N 3.31Å; Q584-H588 WeakPolarHBondContact O-CB 3.45Å; Q584-H588 PolarHBondContact O-N 3Å
585	Q	82.4	Confident	83.2	Confident	127 Å²	127	73.2 Å²	73.2	59%	0.593	36%	0.358	S	S	*	.	H	α-helix	trans	-63.9	-42.9	174.4	-166.3	176.1	34.2	0	0	111.6	V581 R582 H588 L589	V581-Q585 WeakPolarHBondContact O-CB 3.32Å; V581-Q585 PolarHBondContact O-N 2.95Å; R582-Q585 PolarHBondContact O-N 3.24Å; Q585-H588 PolarHBondContact O-N 3.15Å; Q585-L589 WeakPolarHBondContact O-CG 3.43Å; Q585-L589 PolarHBondContact O-N 2.85Å; Q585-L589 VanDerWaalsContact O-N 3.13Å
586	Q	81.8	Confident	83.9	Confident	125 Å²	125	71.8 Å²	71.8	58%	0.584	35%	0.349	S	S	*	.	H	α-helix	trans	-68.4	-45.7	177.6	-168	177.8	23.4	0	0	112.1	R582 S583 H588 L589 Q590	R582-Q586 WeakPolarHBondContact O-CB 3.24Å; R582-Q586 PolarHBondContact O-N 3.32Å; S583-Q586 PolarHBondContact O-N 3.45Å; Q586-H588 VanDerWaalsContact C-N 3.34Å; Q586-H588 PolarHBondContact O-N 2.94Å; Q586-L589 PolarHBondContact O-N 2.95Å; Q586-Q590 PolarHBondContact O-N 3.38Å
587	Q	78.4	Confident	84.3	Confident	85 Å²	85	67.5 Å²	67.5	40%	0.397	33%	0.334	S	S	.	.	H	α-helix	trans	-62.2	-39.9	174.8	-73.9	178.6	1.4	0	0	111.7	S583 L589 Q590 Q591	S583-Q587 WeakPolarHBondContact O-CB 3.25Å; S583-Q587 VanDerWaalsContact O-CG 3.28Å; S583-Q587 WeakPolarHBondContact O-CG 3.38Å; S583-Q587 PolarHBondContact O-N 2.68Å; Q587-L589 PolarHBondContact O-N 3Å; Q587-Q590 PolarHBondContact O-N 3.09Å; Q587-Q591 VanDerWaalsContact O-CB 3.29Å; Q587-Q591 WeakPolarHBondContact O-CB 3.4Å; Q587-Q591 VanDerWaalsContact O-CG 3.26Å; Q587-Q591 WeakPolarHBondContact O-CG 3.45Å; Q587-Q591 PolarHBondContact O-N 2.85Å
588	H	75.5	Confident	84.4	Confident	55 Å²	55	68.1 Å²	68.1	26%	0.255	33%	0.334	S	S	.	.	H	α-helix	trans	-60.5	-44.7	176.4	176.7	78.2	0	0	0	112.1	R314 P318 Q584 Q585 Q586 Q591 H592	R314-H588 PolarHBondContact NH1-ND1 2.81Å; R314-H588 PolarHBondContact NH1-O 2.98Å; R314-H588 PolarHBondContact NH2-ND1 2.84Å; R314-H588 VanDerWaalsContact NH2-ND1 3.19Å; P318-H588 WeakPolarHBondContact CD-ND1 3.26Å; P318-H588 HydrophobicContact CG-CB 3.96Å; Q584-H588 WeakPolarHBondContact O-CB 3.45Å; Q584-H588 PolarHBondContact O-N 3Å; Q585-H588 PolarHBondContact O-N 3.15Å; Q586-H588 VanDerWaalsContact C-N 3.34Å; Q586-H588 PolarHBondContact O-N 2.94Å; H588-Q591 CarbonylContact O-C 3.59Å; H588-Q591 PolarHBondContact O-N 3.27Å; H588-H592 PolarHBondContact O-N 3.39Å
589	L	70.6	Confident	84.6	Confident	114 Å²	114	67.3 Å²	67.3	60%	0.597	33%	0.328	S	S	*	.	H	α-helix	trans	-64.4	-43.8	177.8	-72.8	167.8	0	0	0	112	Q585 Q586 Q587 H592	Q585-L589 WeakPolarHBondContact O-CG 3.43Å; Q585-L589 PolarHBondContact O-N 2.85Å; Q585-L589 VanDerWaalsContact O-N 3.13Å; Q586-L589 PolarHBondContact O-N 2.95Å; Q587-L589 PolarHBondContact O-N 3Å; L589-H592 WeakPolarHBondContact O-CB 3.37Å; L589-H592 PolarHBondContact O-N 2.88Å; L589-H592 VanDerWaalsContact O-N 3.12Å
590	Q	65.8	Low	84.8	Confident	123 Å²	123	60 Å²	60	58%	0.575	29%	0.294	S	S	*	.	H	α-helix	trans	-61	-47.6	173.6	-71.5	179.1	-6.7	0	0	110.9	Q586 Q587 H592 N593	Q586-Q590 PolarHBondContact O-N 3.38Å; Q587-Q590 PolarHBondContact O-N 3.09Å; Q590-H592 PolarHBondContact O-N 2.7Å; Q590-N593 PolarHBondContact O-N 2.95Å; Q590-N593 PolarHBondContact O-ND2 3.47Å
591	Q	64.9	Low	84.7	Confident	88 Å²	88	64.5 Å²	64.5	41%	0.411	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	5.5	174.6	-67.1	171.7	-3.8	0	0	114.6	R314 Q587 H588	R314-Q591 VanDerWaalsContact NH1-C 3.32Å; R314-Q591 PolarHBondContact NH1-O 3.41Å; R314-Q591 VanDerWaalsContact NH1-O 3.1Å; Q587-Q591 VanDerWaalsContact O-CB 3.29Å; Q587-Q591 WeakPolarHBondContact O-CB 3.4Å; Q587-Q591 VanDerWaalsContact O-CG 3.26Å; Q587-Q591 WeakPolarHBondContact O-CG 3.45Å; Q587-Q591 PolarHBondContact O-N 2.85Å; H588-Q591 CarbonylContact O-C 3.59Å; H588-Q591 PolarHBondContact O-N 3.27Å
592	H	72.9	Confident	84.8	Confident	31 Å²	31	67.2 Å²	67.2	14%	0.144	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	1.9	169.8	-152.5	-103.1	0	0	0	112.7	H588 L589 Q590 S657 T658 L659 K761	H588-H592 PolarHBondContact O-N 3.39Å; L589-H592 WeakPolarHBondContact O-CB 3.37Å; L589-H592 PolarHBondContact O-N 2.88Å; L589-H592 VanDerWaalsContact O-N 3.12Å; Q590-H592 PolarHBondContact O-N 2.7Å; H592-S657 PolarHBondContact CE1-O 2.78Å; H592-S657 PolarHBondContact CE1-OG 3.44Å; H592-S657 PolarHBondContact NE2-OG 2.87Å; H592-T658 WeakPolarHBondContact O-CA 3.46Å; H592-L659 PolarHBondContact O-N 3.45Å; H592-K761 PolarHBondContact CE1-NZ 2.75Å; H592-K761 WeakPolarHBondContact ND1-CE 3.42Å; H592-K761 PolarHBondContact ND1-NZ 3.45Å
593	N	87.2	Confident	84.9	Confident	52 Å²	52	63 Å²	63	28%	0.278	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.8	171.3	80.2	123	0	0	0	112.8	Q590 L659 R661	Q590-N593 PolarHBondContact O-N 2.95Å; Q590-N593 PolarHBondContact O-ND2 3.47Å; N593-L659 CarbonylContact C-O 3.47Å; N593-L659 WeakPolarHBondContact CA-O 3.28Å; N593-L659 HydrophobicContact CB-CB 3.83Å; N593-L659 HydrophobicContact CB-CD2 4.23Å; N593-L659 HydrophobicContact CB-CG 4.28Å; N593-L659 WeakPolarHBondContact CB-O 3.35Å; N593-R661 PolarHBondContact OD1-NE 3.37Å; N593-R661 PolarHBondContact OD1-NH2 3.02Å
594	C	90.9	Very high	85.1	Confident	7 Å²	7	62 Å²	62	5%	0.047	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	173.6	169	69.4	0	0	0	0	108.7	P312 E598 L659 V660 R661	P312-C594 HydrophobicContact CG-CB 3.86Å; C594-E598 WeakPolarHBondContact CA-OE2 3.41Å; C594-E598 WeakPolarHBondContact CB-OE2 3.23Å; C594-L659 PolarHBondContact N-O 2.94Å; C594-V660 CarbonylContact O-C 3.47Å; C594-V660 WeakPolarHBondContact O-CA 3.31Å; C594-R661 PolarHBondContact O-N 3.06Å
595	T	94.3	Very high	85.2	Confident	52 Å²	52	65.9 Å²	65.9	32%	0.319	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	162	174.7	62.2	0	0	0	0	111.3	D597 E598 C599 R661	T595-D597 VanDerWaalsContact C-N 3.27Å; T595-E598 PolarHBondContact N-OE2 3.26Å; T595-E598 WeakPolarHBondContact OG1-CB 3.49Å; T595-E598 VanDerWaalsContact OG1-CG 3.26Å; T595-E598 WeakPolarHBondContact OG1-CG 3.11Å; T595-E598 PolarHBondContact OG1-N 3.36Å; T595-E598 VanDerWaalsContact OG1-N 3.11Å; T595-E598 PolarHBondContact OG1-OE2 3.42Å; T595-C599 PolarHBondContact O-N 2.8Å; T595-C599 PolarHBondContact O-SG 2.58Å; T595-C599 VanDerWaalsContact O-SG 3.39Å; T595-R661 CarbonylContact C-O 3.5Å; T595-R661 WeakPolarHBondContact CA-O 3.2Å
596	L	95.6	Very high	85.6	Confident	2 Å²	2	63.7 Å²	63.7	1%	0.01	31%	0.309	C	S	.	.	H	α-helix	trans	-65.6	-32.6	171	-173.2	63.9	0	0	0	111.9	L309 C599 F600 L641 L643 V660 R661 F662 L667 L766 Y768	L309-L596 HydrophobicContact CD1-CD1 3.61Å; L596-C599 WeakPolarHBondContact O-CB 3.36Å; L596-C599 PolarHBondContact O-N 3.35Å; L596-F600 HydrophobicContact CD1-CE2 4.32Å; L596-F600 HydrophobicContact CD2-CE2 4.23Å; L596-F600 HydrophobicContact CG-CD2 4.14Å; L596-F600 HydrophobicContact CG-CE2 3.88Å; L596-F600 VanDerWaalsContact O-CD2 3.28Å; L596-F600 WeakPolarHBondContact O-CD2 3.26Å; L596-F600 PolarHBondContact O-N 2.83Å; L596-F600 VanDerWaalsContact O-N 3.08Å; L596-L641 HydrophobicContact CD1-CD1 4.26Å; L596-L641 HydrophobicContact CD2-CD1 3.87Å; L596-L641 HydrophobicContact CG-CD1 4.5Å; L596-L643 HydrophobicContact CD1-CD2 4.17Å; L596-V660 HydrophobicContact CB-CG1 4.38Å; L596-V660 HydrophobicContact CD1-CG1 4.42Å; L596-R661 PolarHBondContact N-O 3.29Å; L596-F662 HydrophobicContact CB-CB 4.13Å; L596-F662 HydrophobicContact CD2-CB 3.9Å; L596-L667 HydrophobicContact CD2-CD1 4.06Å; L596-L667 HydrophobicContact CD2-CD2 4Å; L596-L766 HydrophobicContact CD1-CD1 4.15Å; L596-L766 HydrophobicContact CD2-CD1 4.2Å; L596-Y768 HydrophobicContact CD2-CE2 4.28Å
597	D	93.5	Very high	86.1	Confident	63 Å²	63	62.9 Å²	62.9	34%	0.337	31%	0.305	S	S	.	.	H	α-helix	trans	-64	-46.3	175.9	-176.5	-86.6	0	0	0	111.5	T595 C599 F600 Q601 H672	T595-D597 VanDerWaalsContact C-N 3.27Å; D597-C599 VanDerWaalsContact C-N 3.26Å; D597-C599 PolarHBondContact O-N 2.95Å; D597-F600 CarbonylContact O-C 3.59Å; D597-F600 WeakPolarHBondContact O-CA 3.06Å; D597-F600 WeakPolarHBondContact O-CB 3.46Å; D597-F600 PolarHBondContact O-N 3.47Å; D597-Q601 WeakPolarHBondContact O-CG 3.45Å; D597-Q601 PolarHBondContact O-N 3.08Å; D597-Q601 PolarHBondContact OD1-NE2 2.85Å; D597-H672 IonicContact OD2-CE1 3.59Å; D597-H672 PolarHBondContact OD2-CE1 3.26Å; D597-H672 VanDerWaalsContact OD2-CE1 3.23Å; D597-H672 IonicContact OD2-NE2 2.7Å
598	E	92.5	Very high	86.8	Confident	84 Å²	84	64.6 Å²	64.6	39%	0.393	31%	0.313	S	S	.	.	H	α-helix	trans	-57.5	-37.9	173.7	-74.4	164.4	136.9	0	0	112.4	C594 T595 Q601 L602	C594-E598 WeakPolarHBondContact CA-OE2 3.41Å; C594-E598 WeakPolarHBondContact CB-OE2 3.23Å; T595-E598 PolarHBondContact N-OE2 3.26Å; T595-E598 WeakPolarHBondContact OG1-CB 3.49Å; T595-E598 VanDerWaalsContact OG1-CG 3.26Å; T595-E598 WeakPolarHBondContact OG1-CG 3.11Å; T595-E598 PolarHBondContact OG1-N 3.36Å; T595-E598 VanDerWaalsContact OG1-N 3.11Å; T595-E598 PolarHBondContact OG1-OE2 3.42Å; E598-Q601 PolarHBondContact O-N 3.09Å; E598-L602 WeakPolarHBondContact O-CG 3.45Å; E598-L602 PolarHBondContact O-N 3.4Å
599	C	94.9	Very high	87.6	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.7	-37.3	173.6	-64.5	0	0	0	0	112.3	L309 T595 L596 D597 Y603	L309-C599 HydrophobicContact CB-CB 4.14Å; L309-C599 HydrophobicContact CD1-CB 4.19Å; T595-C599 PolarHBondContact O-N 2.8Å; T595-C599 PolarHBondContact O-SG 2.58Å; T595-C599 VanDerWaalsContact O-SG 3.39Å; L596-C599 WeakPolarHBondContact O-CB 3.36Å; L596-C599 PolarHBondContact O-N 3.35Å; D597-C599 VanDerWaalsContact C-N 3.26Å; D597-C599 PolarHBondContact O-N 2.95Å; C599-Y603 WeakPolarHBondContact O-CB 3.44Å; C599-Y603 PolarHBondContact O-N 3.41Å
600	F	93.6	Very high	88.4	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-72.1	-36.6	172.3	-80.8	-67.3	0	0	0	113.3	I307 L309 L596 D597 L602 Y603 T604 L632 L641 M669 H672	I307-F600 HydrophobicContact CD1-CE1 3.96Å; I307-F600 HydrophobicContact CG2-CE1 4.38Å; L309-F600 HydrophobicContact CD1-CD1 4.32Å; L309-F600 HydrophobicContact CD1-CD2 4.3Å; L309-F600 HydrophobicContact CD1-CE1 4.11Å; L309-F600 HydrophobicContact CD1-CE2 4.1Å; L309-F600 HydrophobicContact CD1-CG 4.4Å; L309-F600 HydrophobicContact CD1-CZ 4Å; L309-F600 HydrophobicContact CD2-CD1 3.57Å; L309-F600 HydrophobicContact CD2-CE1 3.76Å; L309-F600 HydrophobicContact CD2-CG 4.15Å; L309-F600 HydrophobicContact CD2-CZ 4.48Å; L309-F600 HydrophobicContact CG-CE1 4.46Å; L596-F600 HydrophobicContact CD1-CE2 4.32Å; L596-F600 HydrophobicContact CD2-CE2 4.23Å; L596-F600 HydrophobicContact CG-CD2 4.14Å; L596-F600 HydrophobicContact CG-CE2 3.88Å; L596-F600 VanDerWaalsContact O-CD2 3.28Å; L596-F600 WeakPolarHBondContact O-CD2 3.26Å; L596-F600 PolarHBondContact O-N 2.83Å; L596-F600 VanDerWaalsContact O-N 3.08Å; D597-F600 CarbonylContact O-C 3.59Å; D597-F600 WeakPolarHBondContact O-CA 3.06Å; D597-F600 WeakPolarHBondContact O-CB 3.46Å; D597-F600 PolarHBondContact O-N 3.47Å; F600-L602 VanDerWaalsContact C-N 3.33Å; F600-Y603 PolarHBondContact O-N 3.5Å; F600-T604 WeakPolarHBondContact O-CB 3.5Å; F600-T604 PolarHBondContact O-N 3.31Å; F600-T604 PolarHBondContact O-OG1 3.08Å; F600-L632 HydrophobicContact CE1-CD1 4.49Å; F600-L641 HydrophobicContact CE1-CD2 4.24Å; F600-L641 HydrophobicContact CE2-CD1 4Å; F600-L641 HydrophobicContact CZ-CD1 3.74Å; F600-L641 HydrophobicContact CZ-CD2 3.66Å; F600-L641 HydrophobicContact CZ-CG 4.38Å; F600-M669 HydrophobicContact CE1-CE 3.78Å; F600-M669 HydrophobicContact CE2-CE 4.26Å; F600-M669 HydrophobicContact CE2-SD 3.98Å; F600-M669 HydrophobicContact CZ-CE 3.57Å; F600-M669 HydrophobicContact CZ-SD 3.79Å; F600-H672 VanDerWaalsContact CB-CE1 3.42Å; F600-H672 WeakPolarHBondContact CB-CE1 3.45Å; F600-H672 WeakPolarHBondContact CB-NE2 3.32Å; F600-H672 AromaticContact CD1-CD2 3.97Å; F600-H672 AromaticContact CD2-CD2 3.6Å; F600-H672 AromaticContact CD2-NE2 3.5Å; F600-H672 WeakPolarHBondContact CD2-NE2 3.44Å; F600-H672 AromaticContact CG-CD2 3.49Å; F600-H672 VanDerWaalsContact CG-CD2 3.49Å; F600-H672 WeakPolarHBondContact CG-CD2 3.44Å; F600-H672 AromaticContact CG-CG 3.93Å; F600-H672 AromaticContact CG-NE2 3.61Å
601	Q	91.1	Very high	89.5	Confident	115 Å²	115	57.5 Å²	57.5	54%	0.537	29%	0.289	S	S	.	.	H	α-helix	trans	-60.9	-42.9	173.7	-69.8	-173	29.7	0	0	110.9	D597 E598 K605	D597-Q601 WeakPolarHBondContact O-CG 3.45Å; D597-Q601 PolarHBondContact O-N 3.08Å; D597-Q601 PolarHBondContact OD1-NE2 2.85Å; E598-Q601 PolarHBondContact O-N 3.09Å; Q601-K605 PolarHBondContact O-N 2.98Å; Q601-K605 VanDerWaalsContact O-N 3.12Å
602	L	90.6	Very high	90.8	Very high	72 Å²	72	55.7 Å²	55.7	38%	0.377	28%	0.282	S	S	.	.	H	α-helix	trans	-63.5	-44	171.6	-71.2	178.2	0	0	0	112	P310 P312 E598 F600 T604 K605	P310-L602 HydrophobicContact CG-CB 4.09Å; P312-L602 HydrophobicContact CB-CD1 4.07Å; P312-L602 HydrophobicContact CG-CD1 3.7Å; E598-L602 WeakPolarHBondContact O-CG 3.45Å; E598-L602 PolarHBondContact O-N 3.4Å; F600-L602 VanDerWaalsContact C-N 3.33Å; L602-T604 VanDerWaalsContact C-N 3.34Å; L602-T604 PolarHBondContact O-N 2.73Å; L602-K605 WeakPolarHBondContact O-CB 3.38Å; L602-K605 PolarHBondContact O-N 3.44Å
603	Y	91.7	Very high	91.7	Very high	50 Å²	50	57.2 Å²	57.2	20%	0.196	29%	0.291	C	S	.	.	H	α-helix	trans	-66.7	-31.5	-178.7	-172	-106	0	0	0	114.3	Y285 I307 L309 C599 F600 M630	Y285-Y603 HydrophobicContact CD1-CE1 4.44Å; Y285-Y603 AromaticContact CE1-CE1 3.78Å; Y285-Y603 HydrophobicContact CE1-CE1 3.78Å; Y285-Y603 WeakPolarHBondContact CE1-OH 3.32Å; Y285-Y603 PolarHBondContact OH-OH 3.02Å; I307-Y603 HydrophobicContact CG2-CD1 3.97Å; I307-Y603 HydrophobicContact CG2-CE1 3.71Å; I307-Y603 HydrophobicContact CG2-CG 4.49Å; L309-Y603 HydrophobicContact CD2-CD1 4.22Å; L309-Y603 HydrophobicContact CD2-CD2 4.39Å; L309-Y603 HydrophobicContact CD2-CG 3.84Å; C599-Y603 WeakPolarHBondContact O-CB 3.44Å; C599-Y603 PolarHBondContact O-N 3.41Å; F600-Y603 PolarHBondContact O-N 3.5Å; Y603-M630 HydrophobicContact CE1-CG 4.14Å
604	T	90.6	Very high	91.9	Very high	23 Å²	23	55.7 Å²	55.7	14%	0.141	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	11.4	-178.3	58.9	0	0	0	0	113.5	F600 L602 K629 M630	F600-T604 WeakPolarHBondContact O-CB 3.5Å; F600-T604 PolarHBondContact O-N 3.31Å; F600-T604 PolarHBondContact O-OG1 3.08Å; L602-T604 VanDerWaalsContact C-N 3.34Å; L602-T604 PolarHBondContact O-N 2.73Å; T604-K629 VanDerWaalsContact O-CE 3.27Å; T604-K629 WeakPolarHBondContact O-CE 3.41Å; T604-M630 WeakPolarHBondContact CA-O 3.32Å
605	K	90.6	Very high	92	Very high	115 Å²	115	57.2 Å²	57.2	50%	0.5	29%	0.291	S	S	.	.			trans	-60.9	150.1	174.2	-165.1	-178.4	172.4	-162.3	0	110.5	Q601 L602 E607	Q601-K605 PolarHBondContact O-N 2.98Å; Q601-K605 VanDerWaalsContact O-N 3.12Å; L602-K605 WeakPolarHBondContact O-CB 3.38Å; L602-K605 PolarHBondContact O-N 3.44Å; K605-E607 HydrophobicContact CB-CG 4.44Å; K605-E607 HydrophobicContact CD-CG 4.37Å; K605-E607 HydrophobicContact CG-CG 4.34Å
606	E	91.3	Very high	92.1	Very high	82 Å²	82	61.5 Å²	61.5	38%	0.383	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	126.6	170.1	-173.8	158.6	-173.8	0	0	109	M627 V628 K629	E606-M627 HydrophobicContact CG-CB 3.98Å; E606-M627 HydrophobicContact CG-CE 4.06Å; E606-M627 WeakPolarHBondContact OE1-CB 2.9Å; E606-V628 WeakPolarHBondContact CA-O 3.3Å; E606-K629 HydrophobicContact CB-CB 4.15Å; E606-K629 HydrophobicContact CB-CD 4.09Å; E606-K629 HydrophobicContact CB-CG 4.15Å; E606-K629 HydrophobicContact CG-CB 4.08Å; E606-K629 IonicContact OE2-NZ 3.34Å
607	E	91.5	Very high	92	Very high	107 Å²	107	61.5 Å²	61.5	50%	0.5	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	149.2	-172.4	-57	-162.8	134.8	0	0	110	K605 M627 V628	K605-E607 HydrophobicContact CB-CG 4.44Å; K605-E607 HydrophobicContact CD-CG 4.37Å; K605-E607 HydrophobicContact CG-CG 4.34Å; E607-M627 CarbonylContact O-C 3.56Å; E607-M627 WeakPolarHBondContact O-CA 3.36Å; E607-V628 HydrophobicContact CB-CG1 4.48Å; E607-V628 PolarHBondContact N-O 3.02Å; E607-V628 WeakPolarHBondContact O-CG1 3.36Å; E607-V628 PolarHBondContact O-N 3.49Å
608	Q	93.3	Very high	91.9	Very high	122 Å²	122	62.3 Å²	62.3	57%	0.57	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.9	131.8	173.8	-168.4	174.9	9.8	0	0	109.1	A610 Q625 M627	Q608-A610 PolarHBondContact O-N 2.85Å; Q608-Q625 WeakPolarHBondContact CG-O 3.4Å; Q608-Q625 PolarHBondContact NE2-O 2.88Å; Q608-M627 HydrophobicContact CB-CE 4.1Å; Q608-M627 HydrophobicContact CB-SD 3.83Å; Q608-M627 HydrophobicContact CG-SD 4.03Å
609	L	92.3	Very high	92	Very high	35 Å²	35	63.4 Å²	63.4	18%	0.183	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-65.3	129.3	174.1	-78.4	171.1	0	0	0	110.5	L289 D613 W615 Q625 G626 V628	L289-L609 HydrophobicContact CD2-CD1 3.56Å; L609-D613 HydrophobicContact CD2-CB 4.11Å; L609-W615 HydrophobicContact CD1-CD2 4.44Å; L609-W615 HydrophobicContact CD1-CE3 3.48Å; L609-W615 VanDerWaalsContact CD1-CE3 3.48Å; L609-W615 HydrophobicContact CD1-CZ3 3.81Å; L609-Q625 WeakPolarHBondContact O-CB 3.37Å; L609-G626 PolarHBondContact N-O 2.87Å; L609-V628 HydrophobicContact CD1-CB 4.39Å; L609-V628 HydrophobicContact CD2-CB 4.43Å; L609-V628 HydrophobicContact CD2-CG1 3.93Å; L609-V628 HydrophobicContact CG-CB 4.11Å; L609-V628 HydrophobicContact CG-CG1 3.92Å
610	A	88.1	Confident	91.9	Very high	27 Å²	27	64.9 Å²	64.9	22%	0.223	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-55.3	156.6	178.4	0	0	0	0	0	111.6	Q608 D612 D613 A614	Q608-A610 PolarHBondContact O-N 2.85Å; A610-D612 PolarHBondContact O-N 2.89Å; A610-D613 PolarHBondContact O-N 3.3Å; A610-A614 PolarHBondContact O-N 3.09Å
611	P	87.9	Confident	91.9	Very high	81 Å²	81	72.4 Å²	72.4	53%	0.526	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-49.5	-32.3	174.5	-27.5	34.4	0	0	0	113.6
612	D	91.6	Very high	92	Very high	50 Å²	50	72.2 Å²	72.2	27%	0.267	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-79	-26.8	-177	-59.5	-54.2	0	0	0	115.3	A610 R907 R910	A610-D612 PolarHBondContact O-N 2.89Å; D612-R907 IonicContact OD2-CZ 2.87Å; D612-R907 IonicContact OD2-NH1 3.83Å; D612-R907 PolarHBondContact OD2-NH1 3.25Å; D612-R910 VanDerWaalsContact CB-NH2 3.3Å; D612-R910 PolarHBondContact O-NH2 3.33Å; D612-R910 IonicContact OD1-CZ 3.6Å; D612-R910 IonicContact OD1-NH1 3.6Å; D612-R910 PolarHBondContact OD1-NH1 2.98Å; D612-R910 IonicContact OD1-NH2 3.71Å; D612-R910 PolarHBondContact OD1-NH2 3.17Å
613	D	92.4	Very high	92.2	Very high	62 Å²	62	74.5 Å²	74.5	33%	0.332	37%	0.373	S	S	.	.	G	3₁₀ helix	trans	-104	9	-177	-70.6	-64.4	0	0	0	112.4	L609 A610 W615	L609-D613 HydrophobicContact CD2-CB 4.11Å; A610-D613 PolarHBondContact O-N 3.3Å; D613-W615 PolarHBondContact O-N 3.27Å; D613-W615 VanDerWaalsContact O-N 3.14Å
614	A	92.5	Very high	92.3	Very high	20 Å²	20	73.3 Å²	73.3	17%	0.165	37%	0.369	C	S	.	.			trans	-55.3	114.2	-178.2	0	0	0	0	0	112.4	A610 L623 Q624 Q625	A610-A614 PolarHBondContact O-N 3.09Å; A614-L623 HydrophobicContact CB-CB 4.33Å; A614-Q624 CarbonylContact C-O 3.58Å; A614-Q624 VanDerWaalsContact CA-O 3.29Å; A614-Q624 WeakPolarHBondContact CA-O 3.29Å; A614-Q624 WeakPolarHBondContact CB-O 3.29Å; A614-Q625 HydrophobicContact CB-CG 3.97Å
615	W	93.2	Very high	92.4	Very high	39 Å²	39	76.2 Å²	76.2	15%	0.148	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	152.2	-174.3	88.3	104.2	0	0	0	112.8	L289 T290 C291 L609 D613 C617 L623 Q624 G626	L289-W615 HydrophobicContact CB-CH2 4.1Å; L289-W615 HydrophobicContact CB-CZ2 3.83Å; L289-W615 HydrophobicContact CD2-CD2 4.32Å; L289-W615 HydrophobicContact CD2-CE3 4.08Å; L289-W615 HydrophobicContact CD2-CH2 4.16Å; L289-W615 HydrophobicContact CD2-CZ2 4.49Å; L289-W615 HydrophobicContact CD2-CZ3 3.95Å; T290-W615 WeakPolarHBondContact O-CH2 3.47Å; C291-W615 HydrophobicContact CB-CZ2 4.12Å; L609-W615 HydrophobicContact CD1-CD2 4.44Å; L609-W615 HydrophobicContact CD1-CE3 3.48Å; L609-W615 VanDerWaalsContact CD1-CE3 3.48Å; L609-W615 HydrophobicContact CD1-CZ3 3.81Å; D613-W615 PolarHBondContact O-N 3.27Å; D613-W615 VanDerWaalsContact O-N 3.14Å; W615-C617 PolarHBondContact O-N 2.81Å; W615-L623 CarbonylContact O-C 3.53Å; W615-L623 WeakPolarHBondContact O-CA 3.42Å; W615-Q624 HydrophobicContact CE3-CB 4.5Å; W615-Q624 PolarHBondContact N-O 2.95Å; W615-Q624 PolarHBondContact O-N 2.88Å; W615-G626 VanDerWaalsContact CZ3-N 3.31Å
616	K	94.6	Very high	92.5	Very high	142 Å²	142	70.8 Å²	70.8	62%	0.617	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	102.7	171.8	-163.1	171.2	-169.9	170.4	0	110.2	K621 Q622 L623	K616-K621 WeakPolarHBondContact CE-O 3.26Å; K616-Q622 CarbonylContact C-O 3.56Å; K616-Q622 WeakPolarHBondContact CA-O 3.27Å; K616-L623 HydrophobicContact CB-CD2 3.9Å; K616-L623 HydrophobicContact CG-CD2 4.41Å
617	C	94.3	Very high	92.5	Very high	2 Å²	2	70 Å²	70	1%	0.014	36%	0.355	C	S	.	.			trans	-60.4	126.6	176.7	174.4	0	0	0	0	110.1	C291 W615 H619 C620 K621 Q622 Q624	C291-C617 HydrophobicContact CB-CB 4.46Å; W615-C617 PolarHBondContact O-N 2.81Å; C617-H619 PolarHBondContact O-N 3.41Å; C617-C620 HydrophobicContact CB-CB 4.13Å; C617-C620 PolarHBondContact SG-N 3.45Å; C617-K621 VanDerWaalsContact O-CA 3.26Å; C617-K621 WeakPolarHBondContact O-CA 3.35Å; C617-K621 PolarHBondContact O-N 2.93Å; C617-Q622 PolarHBondContact N-O 3.42Å; C617-Q624 HydrophobicContact CB-CG 3.87Å
618	P	92.4	Very high	92.6	Very high	80 Å²	80	66.5 Å²	66.5	52%	0.519	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.5	-177.4	25.6	-34.3	0	0	0	113.1
619	H	93.3	Very high	92.5	Very high	107 Å²	107	64.6 Å²	64.6	50%	0.495	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-49.9	179.7	-56.8	-63.9	0	0	0	112.7	K296 C617 K621	K296-H619 HydrophobicContact CD-CB 4.14Å; K296-H619 WeakPolarHBondContact CD-CD2 3.47Å; C617-H619 PolarHBondContact O-N 3.41Å; H619-K621 VanDerWaalsContact C-N 3.29Å; H619-K621 PolarHBondContact O-N 3.46Å
620	C	93.6	Very high	92.4	Very high	32 Å²	32	65.6 Å²	65.6	22%	0.216	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-20	177.4	-56	0	0	0	0	112.9	C294 C617 Q622	C294-C620 PolarHBondContact SG-SG 3.39Å; C617-C620 HydrophobicContact CB-CB 4.13Å; C617-C620 PolarHBondContact SG-N 3.45Å; C620-Q622 HydrophobicContact CB-CB 4.48Å; C620-Q622 PolarHBondContact O-N 3.03Å; C620-Q622 VanDerWaalsContact O-N 3.09Å
621	K	94.1	Very high	92.4	Very high	158 Å²	158	64.9 Å²	64.9	69%	0.687	33%	0.328	S	S	*	.			trans	58.6	14.3	-174.2	-54.3	177.9	-176	173.2	0	114.5	K616 C617 H619	K616-K621 WeakPolarHBondContact CE-O 3.26Å; C617-K621 VanDerWaalsContact O-CA 3.26Å; C617-K621 WeakPolarHBondContact O-CA 3.35Å; C617-K621 PolarHBondContact O-N 2.93Å; H619-K621 VanDerWaalsContact C-N 3.29Å; H619-K621 PolarHBondContact O-N 3.46Å
622	Q	93.1	Very high	92.7	Very high	110 Å²	110	61 Å²	61	51%	0.514	30%	0.303	S	S	.	.	S	Bend	trans	-112.1	160.8	177.9	-67.6	171.4	-3.3	0	0	110.6	K616 C617 C620	K616-Q622 CarbonylContact C-O 3.56Å; K616-Q622 WeakPolarHBondContact CA-O 3.27Å; C617-Q622 PolarHBondContact N-O 3.42Å; C620-Q622 HydrophobicContact CB-CB 4.48Å; C620-Q622 PolarHBondContact O-N 3.03Å; C620-Q622 VanDerWaalsContact O-N 3.09Å
623	L	94.9	Very high	92.7	Very high	120 Å²	120	62.7 Å²	62.7	63%	0.628	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.6	143.8	169.1	-57.1	179.4	0	0	0	110	A614 W615 K616	A614-L623 HydrophobicContact CB-CB 4.33Å; W615-L623 CarbonylContact O-C 3.53Å; W615-L623 WeakPolarHBondContact O-CA 3.42Å; K616-L623 HydrophobicContact CB-CD2 3.9Å; K616-L623 HydrophobicContact CG-CD2 4.41Å
624	Q	92.4	Very high	92.8	Very high	25 Å²	25	62.4 Å²	62.4	12%	0.117	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	132.5	-173.3	-64.7	-71.5	-81.2	0	0	112	P292 A614 W615 C617 G626	P292-Q624 HydrophobicContact CG-CB 4.48Å; A614-Q624 CarbonylContact C-O 3.58Å; A614-Q624 VanDerWaalsContact CA-O 3.29Å; A614-Q624 WeakPolarHBondContact CA-O 3.29Å; A614-Q624 WeakPolarHBondContact CB-O 3.29Å; W615-Q624 HydrophobicContact CE3-CB 4.5Å; W615-Q624 PolarHBondContact N-O 2.95Å; W615-Q624 PolarHBondContact O-N 2.88Å; C617-Q624 HydrophobicContact CB-CG 3.87Å; Q624-G626 VanDerWaalsContact C-N 3.29Å; Q624-G626 PolarHBondContact O-N 3.01Å
625	Q	93.8	Very high	92.9	Very high	84 Å²	84	62.6 Å²	62.6	39%	0.393	30%	0.304	S	S	.	.			trans	-88.9	63.2	169	-64.9	173.2	32.2	0	0	109.8	Q608 L609 A614	Q608-Q625 WeakPolarHBondContact CG-O 3.4Å; Q608-Q625 PolarHBondContact NE2-O 2.88Å; L609-Q625 WeakPolarHBondContact O-CB 3.37Å; A614-Q625 HydrophobicContact CB-CG 3.97Å
626	G	91.1	Very high	93.1	Very high	1 Å²	1	60.9 Å²	60.9	1%	0.01	30%	0.298	C	S	.	.			trans	-87	-177.2	177	0	0	0	0	0	113.7	L609 W615 Q624	L609-G626 PolarHBondContact N-O 2.87Å; W615-G626 VanDerWaalsContact CZ3-N 3.31Å; Q624-G626 VanDerWaalsContact C-N 3.29Å; Q624-G626 PolarHBondContact O-N 3.01Å
627	M	93	Very high	93.1	Very high	66 Å²	66	55.4 Å²	55.4	33%	0.325	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	136.5	179.5	-51.7	-50	-66.6	0	0	111	L289 T290 E606 E607 Q608	L289-M627 CarbonylContact C-O 3.55Å; L289-M627 WeakPolarHBondContact CA-O 3.48Å; T290-M627 PolarHBondContact N-O 3.31Å; T290-M627 PolarHBondContact O-N 3.49Å; E606-M627 HydrophobicContact CG-CB 3.98Å; E606-M627 HydrophobicContact CG-CE 4.06Å; E606-M627 WeakPolarHBondContact OE1-CB 2.9Å; E607-M627 CarbonylContact O-C 3.56Å; E607-M627 WeakPolarHBondContact O-CA 3.36Å; Q608-M627 HydrophobicContact CB-CE 4.1Å; Q608-M627 HydrophobicContact CB-SD 3.83Å; Q608-M627 HydrophobicContact CG-SD 4.03Å
628	V	92.4	Very high	93.3	Very high	34 Å²	34	55.3 Å²	55.3	21%	0.206	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	137	167.7	64.9	0	0	0	0	109.4	S288 L289 E606 E607 L609	S288-V628 CarbonylContact O-C 3.58Å; S288-V628 WeakPolarHBondContact O-CA 3.39Å; L289-V628 HydrophobicContact CD2-CB 3.64Å; L289-V628 HydrophobicContact CD2-CG2 3.68Å; L289-V628 HydrophobicContact CG-CG2 4.29Å; E606-V628 WeakPolarHBondContact CA-O 3.3Å; E607-V628 HydrophobicContact CB-CG1 4.48Å; E607-V628 PolarHBondContact N-O 3.02Å; E607-V628 WeakPolarHBondContact O-CG1 3.36Å; E607-V628 PolarHBondContact O-N 3.49Å; L609-V628 HydrophobicContact CD1-CB 4.39Å; L609-V628 HydrophobicContact CD2-CB 4.43Å; L609-V628 HydrophobicContact CD2-CG1 3.93Å; L609-V628 HydrophobicContact CG-CB 4.11Å; L609-V628 HydrophobicContact CG-CG1 3.92Å
629	K	91.1	Very high	93.6	Very high	82 Å²	82	51.5 Å²	51.5	36%	0.357	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	123.3	173.4	-171.6	173.6	-163.9	153.9	0	110.9	S288 T604 E606	S288-K629 PolarHBondContact N-O 2.84Å; S288-K629 PolarHBondContact O-N 3.34Å; T604-K629 VanDerWaalsContact O-CE 3.27Å; T604-K629 WeakPolarHBondContact O-CE 3.41Å; E606-K629 HydrophobicContact CB-CB 4.15Å; E606-K629 HydrophobicContact CB-CD 4.09Å; E606-K629 HydrophobicContact CB-CG 4.15Å; E606-K629 HydrophobicContact CG-CB 4.08Å; E606-K629 IonicContact OE2-NZ 3.34Å
630	M	89.9	Confident	93.8	Very high	55 Å²	55	46.4 Å²	46.4	27%	0.271	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	144	169	-164	58.7	75	0	0	110.2	Y285 Y603 T604	Y285-M630 HydrophobicContact CD1-CG 4.36Å; Y285-M630 HydrophobicContact CD1-SD 4.31Å; Y285-M630 HydrophobicContact CG-SD 4Å; Y603-M630 HydrophobicContact CE1-CG 4.14Å; T604-M630 WeakPolarHBondContact CA-O 3.32Å
631	S	89.9	Confident	94.1	Very high	12 Å²	12	44.9 Å²	44.9	8%	0.084	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	155.4	178.5	55.7	0	0	0	0	110.6	Y285 R286	Y285-S631 CarbonylContact C-O 3.57Å; Y285-S631 WeakPolarHBondContact CA-O 3.46Å; R286-S631 PolarHBondContact N-O 3.03Å; R286-S631 PolarHBondContact O-N 2.91Å; R286-S631 PolarHBondContact O-OG 2.71Å
632	L	92.9	Very high	94.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	130.2	174.5	-48.6	-177.7	0	0	0	108.7	Y285 F304 I307 F600 L635 M669 H672 V673 A674	Y285-L632 HydrophobicContact CD1-CD2 3.75Å; Y285-L632 HydrophobicContact CE1-CD2 3.64Å; F304-L632 HydrophobicContact CE1-CD2 4.39Å; F304-L632 HydrophobicContact CZ-CD2 4.33Å; I307-L632 HydrophobicContact CD1-CD1 3.91Å; I307-L632 HydrophobicContact CD1-CD2 3.73Å; F600-L632 HydrophobicContact CE1-CD1 4.49Å; L632-L635 HydrophobicContact CB-CD2 4.24Å; L632-L635 HydrophobicContact CD1-CD2 3.74Å; L632-M669 HydrophobicContact CD1-CE 3.35Å; L632-H672 HydrophobicContact CD1-CB 4.09Å; L632-H672 PolarHBondContact N-O 3.5Å; L632-V673 HydrophobicContact CB-CG2 4.26Å; L632-V673 CarbonylContact O-C 3.57Å; L632-V673 WeakPolarHBondContact O-CA 3.38Å; L632-A674 PolarHBondContact O-N 3.41Å
633	W	92.6	Very high	94.5	Very high	85 Å²	85	32.8 Å²	32.8	32%	0.322	16%	0.162	S	C	.	.	S	Bend	trans	-99.1	-41.9	179	-177.6	-116.9	0	0	0	112	Q284 R286 F301 A674	Q284-W633 HydrophobicContact CB-CB 4.3Å; Q284-W633 WeakPolarHBondContact O-CA 3.25Å; Q284-W633 WeakPolarHBondContact O-CB 3.29Å; Q284-W633 PolarHBondContact O-N 2.96Å; R286-W633 HydrophobicContact CB-CB 4.01Å; R286-W633 HydrophobicContact CB-CE3 4.47Å; F301-W633 HydrophobicContact CD1-CB 4.22Å; F301-W633 AromaticContact CD1-CD1 3.67Å; F301-W633 HydrophobicContact CD1-CD2 4.01Å; F301-W633 AromaticContact CD1-CG 3.7Å; F301-W633 HydrophobicContact CD1-CG 3.7Å; F301-W633 AromaticContact CD1-NE1 3.95Å; F301-W633 HydrophobicContact CE1-CB 4.49Å; F301-W633 AromaticContact CE1-CD1 3.96Å; F301-W633 AromaticContact CE1-CD2 3.54Å; F301-W633 HydrophobicContact CE1-CD2 3.54Å; F301-W633 AromaticContact CE1-CE2 3.66Å; F301-W633 AromaticContact CE1-CE3 3.98Å; F301-W633 HydrophobicContact CE1-CE3 3.98Å; F301-W633 AromaticContact CE1-CG 3.76Å; F301-W633 HydrophobicContact CE1-CG 3.76Å; F301-W633 HydrophobicContact CE1-CZ2 4.2Å; F301-W633 HydrophobicContact CE1-CZ3 4.49Å; F301-W633 AromaticContact CE1-NE1 3.89Å; W633-A674 HydrophobicContact CE3-CB 4.11Å
634	T	94	Very high	94.5	Very high	56 Å²	56	30.2 Å²	30.2	34%	0.344	15%	0.146	S	C	.	.	S	Bend	trans	-127.3	169	168.1	63.4	0	0	0	0	110	Q284	Q284-T634 PolarHBondContact N-OG1 2.82Å; Q284-T634 PolarHBondContact O-N 2.93Å
635	L	94.6	Very high	94.4	Very high	24 Å²	24	29 Å²	29	13%	0.126	14%	0.141	C	C	.	.			trans	-124.5	141.2	174.2	-57.6	174.3	0	0	0	109.4	L632 M669 V673 Y713	L632-L635 HydrophobicContact CB-CD2 4.24Å; L632-L635 HydrophobicContact CD1-CD2 3.74Å; L635-M669 HydrophobicContact CD1-CB 3.48Å; L635-M669 VanDerWaalsContact CD1-CB 3.48Å; L635-M669 HydrophobicContact CD1-CG 4.28Å; L635-M669 HydrophobicContact CD2-CB 4.17Å; L635-M669 HydrophobicContact CD2-CE 4.01Å; L635-M669 HydrophobicContact CG-CB 4.5Å; L635-V673 HydrophobicContact CD1-CG2 3.72Å; L635-V673 HydrophobicContact CD2-CG2 3.75Å; L635-V673 HydrophobicContact CG-CG2 3.73Å; L635-Y713 HydrophobicContact CB-CE2 4.47Å; L635-Y713 VanDerWaalsContact CB-OH 3.22Å; L635-Y713 WeakPolarHBondContact CB-OH 3.36Å; L635-Y713 HydrophobicContact CD1-CE2 3.99Å
636	P	96.2	Very high	94.1	Very high	3 Å²	3	26.8 Å²	26.8	2%	0.019	13%	0.13	C	C	.	.			trans	-84	162.7	-178.2	35.9	-34.8	0	0	0	111.3	F281 A283 I638 L639 Y713	F281-P636 WeakPolarHBondContact O-CB 3.49Å; A283-P636 HydrophobicContact CB-CB 4.01Å; A283-P636 HydrophobicContact CB-CG 4.13Å; P636-I638 VanDerWaalsContact C-N 3.32Å; P636-I638 WeakPolarHBondContact CB-O 3.48Å; P636-I638 VanDerWaalsContact CG-O 3.26Å; P636-I638 WeakPolarHBondContact CG-O 3.44Å; P636-L639 HydrophobicContact CG-CB 4.05Å; P636-L639 HydrophobicContact CG-CD1 3.94Å; P636-Y713 VanDerWaalsContact O-CE1 3.3Å; P636-Y713 WeakPolarHBondContact O-CE1 3.41Å; P636-Y713 PolarHBondContact O-OH 3.34Å
637	D	96.3	Very high	93.4	Very high	27 Å²	27	30.6 Å²	30.6	14%	0.144	14%	0.144	C	C	.	.	S	Bend	trans	-69.1	-34.3	176.6	-68.1	25.2	0	0	0	111.2	H280 R770 V773	H280-D637 HydrophobicContact CB-CB 4.32Å; H280-D637 PolarHBondContact O-N 3.14Å; D637-R770 PolarHBondContact O-N 2.59Å; D637-R770 IonicContact OD1-CZ 3.11Å; D637-R770 IonicContact OD1-NH1 3.19Å; D637-R770 PolarHBondContact OD1-NH1 3.18Å; D637-R770 IonicContact OD1-NH2 2.8Å; D637-R770 PolarHBondContact OD1-NH2 2.9Å; D637-R770 IonicContact OD2-CZ 2.7Å; D637-R770 IonicContact OD2-NH2 2.71Å; D637-R770 PolarHBondContact OD2-NH2 3.03Å; D637-R770 VanDerWaalsContact OD2-NH2 3.09Å; D637-V773 HydrophobicContact CB-CG1 4.44Å; D637-V773 HydrophobicContact CB-CG2 4.22Å; D637-V773 WeakPolarHBondContact OD2-CG1 3.34Å; D637-V773 WeakPolarHBondContact OD2-CG2 3.43Å
638	I	98	Very high	92.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.2	168.8	-54.4	-60.7	0	0	0	109.3	T141 L143 H280 F281 P636 Y716 Y768 Q769	T141-I638 HydrophobicContact CG2-CD1 3.84Å; T141-I638 HydrophobicContact CG2-CG1 3.96Å; T141-I638 HydrophobicContact CG2-CG2 4.33Å; L143-I638 HydrophobicContact CD1-CD1 4.33Å; H280-I638 HydrophobicContact CB-CG1 4.47Å; H280-I638 PolarHBondContact O-N 3.41Å; F281-I638 HydrophobicContact CD1-CB 3.81Å; F281-I638 HydrophobicContact CD1-CG2 3.71Å; F281-I638 HydrophobicContact CE1-CB 3.83Å; F281-I638 HydrophobicContact CE1-CG1 4.38Å; F281-I638 HydrophobicContact CE1-CG2 3.4Å; F281-I638 HydrophobicContact CG-CB 4.31Å; F281-I638 HydrophobicContact CZ-CB 4.32Å; F281-I638 HydrophobicContact CZ-CG1 4.39Å; F281-I638 HydrophobicContact CZ-CG2 4.13Å; P636-I638 VanDerWaalsContact C-N 3.32Å; P636-I638 WeakPolarHBondContact CB-O 3.48Å; P636-I638 VanDerWaalsContact CG-O 3.26Å; P636-I638 WeakPolarHBondContact CG-O 3.44Å; I638-Y716 HydrophobicContact CD1-CE1 4.38Å; I638-Y716 HydrophobicContact CG2-CE1 4.31Å; I638-Y716 VanDerWaalsContact CG2-OH 3.27Å; I638-Y716 WeakPolarHBondContact CG2-OH 3.35Å; I638-Y768 CarbonylContact C-O 3.52Å; I638-Y768 WeakPolarHBondContact CA-O 3.36Å; I638-Q769 HydrophobicContact CD1-CB 3.92Å; I638-Q769 HydrophobicContact CD1-CG 3.7Å
639	L	98.1	Very high	91.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	113.1	-177.4	177	63.6	0	0	0	110.8	I307 P636 L641 M669 Y713 Y768	I307-L639 HydrophobicContact CD1-CD1 3.87Å; I307-L639 HydrophobicContact CG1-CD1 4.32Å; P636-L639 HydrophobicContact CG-CB 4.05Å; P636-L639 HydrophobicContact CG-CD1 3.94Å; L639-L641 HydrophobicContact CD1-CD2 3.8Å; L639-L641 HydrophobicContact CD2-CD1 4.49Å; L639-L641 HydrophobicContact CD2-CD2 4.13Å; L639-L641 HydrophobicContact CD2-CG 4.45Å; L639-L641 HydrophobicContact CG-CD2 3.79Å; L639-L641 HydrophobicContact CG-CG 4.11Å; L639-M669 HydrophobicContact CD2-CE 3.92Å; L639-M669 HydrophobicContact CD2-CG 3.95Å; L639-M669 HydrophobicContact CD2-SD 3.74Å; L639-Y713 HydrophobicContact CB-CD1 3.82Å; L639-Y713 HydrophobicContact CB-CE1 3.63Å; L639-Y713 HydrophobicContact CD2-CD1 4.17Å; L639-Y713 HydrophobicContact CD2-CE1 4.25Å; L639-Y713 HydrophobicContact CD2-CG 4.34Å; L639-Y768 PolarHBondContact N-O 3.33Å; L639-Y768 PolarHBondContact O-N 3.26Å
640	I	98.7	Very high	90.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.8	175.8	-53.9	175.9	0	0	0	109.4	L225 L229 F281 C306 I307 I765 F767	L225-I640 HydrophobicContact CD1-CD1 4.48Å; L225-I640 HydrophobicContact CD2-CD1 4.26Å; L225-I640 HydrophobicContact CD2-CG2 3.94Å; L229-I640 HydrophobicContact CD1-CD1 3.67Å; F281-I640 HydrophobicContact CD1-CD1 3.67Å; F281-I640 HydrophobicContact CD1-CG1 4.17Å; F281-I640 HydrophobicContact CE1-CD1 3.93Å; F281-I640 HydrophobicContact CE1-CG1 4.45Å; C306-I640 WeakPolarHBondContact CA-O 3.43Å; C306-I640 HydrophobicContact CB-CB 4.19Å; C306-I640 HydrophobicContact CB-CG2 4.14Å; C306-I640 PolarHBondContact SG-O 3.43Å; I307-I640 PolarHBondContact N-O 2.85Å; I640-I765 HydrophobicContact CG2-CG2 3.48Å; I640-I765 VanDerWaalsContact CG2-CG2 3.48Å; I640-F767 HydrophobicContact CD1-CD1 4.43Å; I640-F767 HydrophobicContact CD1-CE1 4.09Å; I640-F767 HydrophobicContact CG1-CD1 4.01Å; I640-F767 HydrophobicContact CG1-CE1 4.11Å; I640-F767 HydrophobicContact CG2-CE1 4.37Å
641	L	98.6	Very high	89.2	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	112.5	177.8	-52.9	179.6	0	0	0	110.3	I307 L596 F600 L639 L667 I765 L766 Y768	I307-L641 HydrophobicContact CB-CD2 3.83Å; I307-L641 HydrophobicContact CD1-CD2 3.87Å; I307-L641 HydrophobicContact CG1-CD2 4.07Å; L596-L641 HydrophobicContact CD1-CD1 4.26Å; L596-L641 HydrophobicContact CD2-CD1 3.87Å; L596-L641 HydrophobicContact CG-CD1 4.5Å; F600-L641 HydrophobicContact CE1-CD2 4.24Å; F600-L641 HydrophobicContact CE2-CD1 4Å; F600-L641 HydrophobicContact CZ-CD1 3.74Å; F600-L641 HydrophobicContact CZ-CD2 3.66Å; F600-L641 HydrophobicContact CZ-CG 4.38Å; L639-L641 HydrophobicContact CD1-CD2 3.8Å; L639-L641 HydrophobicContact CD2-CD1 4.49Å; L639-L641 HydrophobicContact CD2-CD2 4.13Å; L639-L641 HydrophobicContact CD2-CG 4.45Å; L639-L641 HydrophobicContact CG-CD2 3.79Å; L639-L641 HydrophobicContact CG-CG 4.11Å; L641-L667 HydrophobicContact CD1-CD2 4.14Å; L641-I765 CarbonylContact O-C 2.83Å; L641-I765 WeakPolarHBondContact O-CA 3.33Å; L641-L766 HydrophobicContact CB-CB 4.28Å; L641-L766 PolarHBondContact N-O 3.03Å; L641-L766 PolarHBondContact O-N 3.18Å; L641-Y768 HydrophobicContact CD1-CD2 3.93Å; L641-Y768 HydrophobicContact CD1-CE2 3.88Å; L641-Y768 HydrophobicContact CG-CD2 4.38Å
642	H	98.4	Very high	87.7	Confident	14 Å²	14	42.1 Å²	42.1	7%	0.065	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	133.1	171.8	157.9	-129	0	0	0	110.1	L222 I307 S308 L309 Y764	L222-H642 HydrophobicContact CD1-CB 4.12Å; L222-H642 HydrophobicContact CD2-CB 4.05Å; L222-H642 VanDerWaalsContact CD2-ND1 3.3Å; L222-H642 WeakPolarHBondContact CD2-ND1 3.43Å; I307-H642 PolarHBondContact O-N 3.31Å; S308-H642 CarbonylContact C-O 3.55Å; S308-H642 WeakPolarHBondContact CA-O 2.99Å; S308-H642 WeakPolarHBondContact CB-ND1 3.17Å; S308-H642 PolarHBondContact OG-ND1 2.91Å; L309-H642 PolarHBondContact N-O 3.03Å; H642-Y764 AromaticContact CD2-CE2 3.36Å; H642-Y764 WeakPolarHBondContact CD2-CE2 3.48Å; H642-Y764 AromaticContact CD2-CZ 3.52Å; H642-Y764 PolarHBondContact CD2-OH 3.19Å; H642-Y764 AromaticContact NE2-CE2 3.23Å; H642-Y764 WeakPolarHBondContact NE2-CE2 3.19Å; H642-Y764 AromaticContact NE2-CZ 3.4Å; H642-Y764 PolarHBondContact NE2-OH 3.21Å
643	L	97.4	Very high	86.6	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	111.5	172.8	-60.6	174.9	0	0	0	108.7	L311 L596 R645 V660 Y764	L311-L643 HydrophobicContact CD1-CB 4.19Å; L596-L643 HydrophobicContact CD1-CD2 4.17Å; L643-R645 HydrophobicContact CB-CG 4.42Å; L643-R645 PolarHBondContact O-N 2.79Å; L643-V660 HydrophobicContact CD1-CB 3.9Å; L643-V660 HydrophobicContact CD1-CG1 4.26Å; L643-V660 HydrophobicContact CD1-CG2 3.88Å; L643-V660 HydrophobicContact CD2-CG1 4.11Å; L643-V660 HydrophobicContact CD2-CG2 4.28Å; L643-Y764 PolarHBondContact N-O 3.33Å; L643-Y764 WeakPolarHBondContact O-CE2 3.36Å
644	K	94.3	Very high	85.7	Confident	67 Å²	67	48.1 Å²	48.1	29%	0.291	23%	0.228	S	C	.	.			trans	-66.1	69.8	-177.7	-73.6	-162.2	168.3	-149.3	0	113	L309 L311 F1225	L309-K644 VanDerWaalsContact O-CB 3.32Å; L309-K644 WeakPolarHBondContact O-CB 3.44Å; L309-K644 PolarHBondContact O-N 2.74Å; L311-K644 VanDerWaalsContact CD1-C 3.46Å; L311-K644 WeakPolarHBondContact CD1-O 3.37Å; K644-F1225 PolarHBondContact NZ-O 3.01Å
645	R	91.4	Very high	85.2	Confident	0 Å²	0	48 Å²	48	0%	0	22%	0.222	C	C	.	.			trans	-75.8	-32.2	-177.4	-69.8	-173.6	179.7	-74	-1.5	113.2	L311 L643 K655 L656 T658 K761 A763 Y764	L311-R645 HydrophobicContact CD1-CG 4.32Å; L311-R645 HydrophobicContact CD2-CG 4.46Å; L643-R645 HydrophobicContact CB-CG 4.42Å; L643-R645 PolarHBondContact O-N 2.79Å; R645-K655 HydrophobicContact CB-CG 4.23Å; R645-K655 CarbonylContact O-C 3.51Å; R645-K655 WeakPolarHBondContact O-CA 3.29Å; R645-L656 PolarHBondContact NH1-O 3.39Å; R645-L656 WeakPolarHBondContact O-CG 3.49Å; R645-L656 PolarHBondContact O-N 2.73Å; R645-T658 PolarHBondContact NH1-O 3.28Å; R645-T658 PolarHBondContact NH2-O 3.43Å; R645-K761 PolarHBondContact NH2-O 2.71Å; R645-A763 VanDerWaalsContact CZ-O 3.27Å; R645-A763 PolarHBondContact NE-O 3.32Å; R645-A763 PolarHBondContact NH2-O 3.29Å; R645-Y764 HydrophobicContact CB-CD2 4.41Å; R645-Y764 HydrophobicContact CG-CD2 4.37Å
646	F	86.3	Confident	84.8	Confident	37 Å²	37	48.7 Å²	48.7	16%	0.162	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	134.3	-179.6	-56.4	-57.5	0	0	0	110.8	K655 H721 M725 Y764	F646-K655 HydrophobicContact CD1-CB 4.12Å; F646-K655 HydrophobicContact CD1-CD 4.49Å; F646-K655 HydrophobicContact CD1-CG 4.04Å; F646-K655 HydrophobicContact CE1-CB 4.36Å; F646-K655 HydrophobicContact CE1-CD 3.98Å; F646-K655 HydrophobicContact CE1-CG 4.03Å; F646-H721 AromaticContact CE1-CE1 3.78Å; F646-H721 AromaticContact CE1-ND1 3.76Å; F646-H721 AromaticContact CZ-CE1 3.46Å; F646-H721 VanDerWaalsContact CZ-CE1 3.46Å; F646-H721 WeakPolarHBondContact CZ-CE1 3.42Å; F646-H721 AromaticContact CZ-ND1 3.31Å; F646-H721 VanDerWaalsContact CZ-ND1 3.31Å; F646-H721 WeakPolarHBondContact CZ-ND1 3.39Å; F646-M725 HydrophobicContact CB-CE 4.18Å; F646-M725 HydrophobicContact CB-CG 4.44Å; F646-M725 HydrophobicContact CB-SD 3.98Å; F646-M725 HydrophobicContact CD1-CG 3.27Å; F646-M725 HydrophobicContact CD1-SD 3.88Å; F646-M725 HydrophobicContact CE1-CG 3.62Å; F646-M725 HydrophobicContact CG-CG 4.08Å; F646-M725 HydrophobicContact CG-SD 4.27Å; F646-Y764 HydrophobicContact CD2-CE2 4.15Å; F646-Y764 HydrophobicContact CE2-CE1 4.37Å; F646-Y764 AromaticContact CE2-CE2 3.95Å; F646-Y764 HydrophobicContact CE2-CE2 3.95Å; F646-Y764 AromaticContact CE2-CZ 3.75Å
647	R	77.8	Confident	84.3	Confident	80 Å²	80	51.7 Å²	51.7	30%	0.302	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	140.6	173	-67.3	-172.8	67.8	-138.5	-0.8	110.2	N654	R647-N654 PolarHBondContact N-O 2.82Å; R647-N654 PolarHBondContact O-N 2.78Å
648	Q	73.3	Confident	84	Confident	103 Å²	103	50.9 Å²	50.9	48%	0.481	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	135	165.6	-178	167.8	-21.7	0	0	109.1	G650 R652 R653	Q648-G650 VanDerWaalsContact CG-O 3.26Å; Q648-G650 WeakPolarHBondContact CG-O 3.27Å; Q648-G650 PolarHBondContact NE2-O 2.7Å; Q648-R652 WeakPolarHBondContact CA-O 3.46Å; Q648-R653 HydrophobicContact CB-CG 4.13Å; Q648-R653 HydrophobicContact CG-CG 3.99Å; Q648-R653 VanDerWaalsContact OE1-CZ 3.29Å
649	V	64.6	Low	83.7	Confident	21 Å²	21	52.6 Å²	52.6	13%	0.127	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	112	174.4	-176.8	0	0	0	0	106.8	F342 E651 R652	F342-V649 HydrophobicContact CE1-CG1 3.96Å; F342-V649 HydrophobicContact CZ-CB 4.44Å; F342-V649 HydrophobicContact CZ-CG1 4.04Å; F342-V649 HydrophobicContact CZ-CG2 4.39Å; V649-E651 PolarHBondContact O-N 3.2Å; V649-R652 PolarHBondContact N-O 3.22Å; V649-R652 PolarHBondContact O-N 2.8Å
650	G	71.8	Confident	83.6	Confident	36 Å²	36	52.6 Å²	52.6	37%	0.371	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.7	-129.6	-165.2	0	0	0	0	0	111.6	Q648	Q648-G650 VanDerWaalsContact CG-O 3.26Å; Q648-G650 WeakPolarHBondContact CG-O 3.27Å; Q648-G650 PolarHBondContact NE2-O 2.7Å
651	E	67.7	Low	83.5	Confident	189 Å²	189	59.3 Å²	59.3	88%	0.883	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-16.1	173.9	-59	-167	143.3	0	0	113.7	V649	V649-E651 PolarHBondContact O-N 3.2Å
652	R	58.7	Low	83.4	Confident	142 Å²	142	59.8 Å²	59.8	54%	0.536	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	138	-171.5	-61.7	-173.1	-173.1	169.4	8.7	111.6	T384 Q648 V649	T384-R652 PolarHBondContact OG1-NH1 3.43Å; T384-R652 PolarHBondContact OG1-NH2 2.83Å; Q648-R652 WeakPolarHBondContact CA-O 3.46Å; V649-R652 PolarHBondContact N-O 3.22Å; V649-R652 PolarHBondContact O-N 2.8Å
653	R	69.4	Low	83.3	Confident	128 Å²	128	61.6 Å²	61.6	48%	0.483	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	110.2	-173.2	-81.8	-178.8	166.9	-154	-9.4	110.7	Q648 M725	Q648-R653 HydrophobicContact CB-CG 4.13Å; Q648-R653 HydrophobicContact CG-CG 3.99Å; Q648-R653 VanDerWaalsContact OE1-CZ 3.29Å; R653-M725 HydrophobicContact CB-CE 4.13Å; R653-M725 HydrophobicContact CB-SD 3.74Å; R653-M725 HydrophobicContact CG-CE 4.08Å; R653-M725 HydrophobicContact CG-SD 4.31Å
654	N	73.3	Confident	83.3	Confident	83 Å²	83	63.1 Å²	63.1	44%	0.444	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	148.2	-168.5	-66.3	-21.6	0	0	0	111.6	R647	R647-N654 PolarHBondContact N-O 2.82Å; R647-N654 PolarHBondContact O-N 2.78Å
655	K	84.4	Confident	83.2	Confident	54 Å²	54	62.8 Å²	62.8	24%	0.235	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.7	172.3	-178.2	-174.1	173	178.9	0	110	R645 F646 S657 H721 G723	R645-K655 HydrophobicContact CB-CG 4.23Å; R645-K655 CarbonylContact O-C 3.51Å; R645-K655 WeakPolarHBondContact O-CA 3.29Å; F646-K655 HydrophobicContact CD1-CB 4.12Å; F646-K655 HydrophobicContact CD1-CD 4.49Å; F646-K655 HydrophobicContact CD1-CG 4.04Å; F646-K655 HydrophobicContact CE1-CB 4.36Å; F646-K655 HydrophobicContact CE1-CD 3.98Å; F646-K655 HydrophobicContact CE1-CG 4.03Å; K655-S657 PolarHBondContact O-N 2.96Å; K655-H721 PolarHBondContact NZ-ND1 3.15Å; K655-H721 PolarHBondContact NZ-O 3Å; K655-G723 WeakPolarHBondContact CD-O 3.28Å; K655-G723 WeakPolarHBondContact CE-O 3.46Å; K655-G723 PolarHBondContact NZ-O 3.41Å
656	L	85.3	Confident	83.3	Confident	38 Å²	38	64.8 Å²	64.8	20%	0.199	32%	0.321	C	S	.	.			trans	-72.8	117.1	176.2	-59.2	176.9	0	0	0	110.4	L311 L313 R645	L311-L656 HydrophobicContact CB-CD1 4.09Å; L311-L656 HydrophobicContact CD1-CD1 4.41Å; L313-L656 HydrophobicContact CD2-CD1 3.88Å; L313-L656 HydrophobicContact CD2-CD2 4.44Å; R645-L656 PolarHBondContact NH1-O 3.39Å; R645-L656 WeakPolarHBondContact O-CG 3.49Å; R645-L656 PolarHBondContact O-N 2.73Å
657	S	86.6	Confident	83.7	Confident	66 Å²	66	63.7 Å²	63.7	46%	0.462	32%	0.316	S	S	.	.			trans	-90.1	4.6	-179.7	56.1	0	0	0	0	114.3	H592 K655 L659	H592-S657 PolarHBondContact CE1-O 2.78Å; H592-S657 PolarHBondContact CE1-OG 3.44Å; H592-S657 PolarHBondContact NE2-OG 2.87Å; K655-S657 PolarHBondContact O-N 2.96Å; S657-L659 PolarHBondContact O-N 3.33Å
658	T	89.8	Confident	84.4	Confident	10 Å²	10	62.6 Å²	62.6	6%	0.061	32%	0.317	C	S	.	.			trans	-52.2	131.4	-179.2	-43.7	0	0	0	0	111.7	H592 R645 V660	H592-T658 WeakPolarHBondContact O-CA 3.46Å; R645-T658 PolarHBondContact NH1-O 3.28Å; R645-T658 PolarHBondContact NH2-O 3.43Å; T658-V660 PolarHBondContact O-N 3.45Å
659	L	92.6	Very high	85.4	Confident	36 Å²	36	57.7 Å²	57.7	19%	0.188	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	115.4	170	178.3	62.5	0	0	0	109	H592 N593 C594 S657 C759 K761	H592-L659 PolarHBondContact O-N 3.45Å; N593-L659 CarbonylContact C-O 3.47Å; N593-L659 WeakPolarHBondContact CA-O 3.28Å; N593-L659 HydrophobicContact CB-CB 3.83Å; N593-L659 HydrophobicContact CB-CD2 4.23Å; N593-L659 HydrophobicContact CB-CG 4.28Å; N593-L659 WeakPolarHBondContact CB-O 3.35Å; C594-L659 PolarHBondContact N-O 2.94Å; S657-L659 PolarHBondContact O-N 3.33Å; L659-C759 WeakPolarHBondContact CD1-O 3.29Å; L659-K761 HydrophobicContact CB-CG 3.84Å; L659-K761 HydrophobicContact CD1-CG 4.01Å; L659-K761 HydrophobicContact CG-CG 4.48Å
660	V	95.4	Very high	86.6	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	114.5	170.4	-175.4	0	0	0	0	106.8	L311 C594 L596 L643 T658 F662	L311-V660 HydrophobicContact CD2-CG2 3.57Å; L311-V660 HydrophobicContact CG-CG2 4.17Å; C594-V660 CarbonylContact O-C 3.47Å; C594-V660 WeakPolarHBondContact O-CA 3.31Å; L596-V660 HydrophobicContact CB-CG1 4.38Å; L596-V660 HydrophobicContact CD1-CG1 4.42Å; L643-V660 HydrophobicContact CD1-CB 3.9Å; L643-V660 HydrophobicContact CD1-CG1 4.26Å; L643-V660 HydrophobicContact CD1-CG2 3.88Å; L643-V660 HydrophobicContact CD2-CG1 4.11Å; L643-V660 HydrophobicContact CD2-CG2 4.28Å; T658-V660 PolarHBondContact O-N 3.45Å; V660-F662 WeakPolarHBondContact O-CD1 3.34Å; V660-F662 PolarHBondContact O-N 3.39Å
661	R	96	Very high	87.4	Confident	142 Å²	142	60.4 Å²	60.4	54%	0.536	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	117.4	173	-63.3	-177.8	-175.3	-110.3	3.9	108.9	N593 C594 T595 L596	N593-R661 PolarHBondContact OD1-NE 3.37Å; N593-R661 PolarHBondContact OD1-NH2 3.02Å; C594-R661 PolarHBondContact O-N 3.06Å; T595-R661 CarbonylContact C-O 3.5Å; T595-R661 WeakPolarHBondContact CA-O 3.2Å; L596-R661 PolarHBondContact N-O 3.29Å
662	F	97.3	Very high	88.3	Confident	10 Å²	10	52 Å²	52	4%	0.044	27%	0.268	C	S	.	.			trans	-124.1	141.3	177	53.1	-97.5	0	0	0	110.2	L596 V660 L715 V718 C759 A763 L766	L596-F662 HydrophobicContact CB-CB 4.13Å; L596-F662 HydrophobicContact CD2-CB 3.9Å; V660-F662 WeakPolarHBondContact O-CD1 3.34Å; V660-F662 PolarHBondContact O-N 3.39Å; F662-L715 HydrophobicContact CD2-CD2 3.84Å; F662-L715 HydrophobicContact CE2-CD2 3.57Å; F662-V718 HydrophobicContact CE2-CG2 4.04Å; F662-V718 HydrophobicContact CZ-CG2 4.1Å; F662-C759 HydrophobicContact CZ-CB 4.35Å; F662-A763 HydrophobicContact CE1-CB 3.54Å; F662-A763 HydrophobicContact CZ-CB 3.92Å; F662-L766 HydrophobicContact CB-CD1 3.78Å; F662-L766 HydrophobicContact CD1-CD1 3.82Å; F662-L766 HydrophobicContact CD1-CD2 3.87Å; F662-L766 HydrophobicContact CD2-CD1 4.28Å; F662-L766 HydrophobicContact CD2-CD2 4.21Å; F662-L766 HydrophobicContact CE1-CD2 3.71Å; F662-L766 HydrophobicContact CE2-CD2 4.05Å; F662-L766 HydrophobicContact CG-CD1 3.69Å; F662-L766 HydrophobicContact CG-CD2 4.12Å; F662-L766 HydrophobicContact CZ-CD2 3.79Å
663	P	96.5	Very high	89.7	Confident	51 Å²	51	46.9 Å²	46.9	33%	0.331	25%	0.253	S	S	.	.			trans	-78.3	132.8	-178.4	32	-34.5	0	0	0	111	T665 L667 Y768	P663-T665 VanDerWaalsContact C-N 3.27Å; P663-T665 PolarHBondContact O-N 2.93Å; P663-L667 HydrophobicContact CG-CB 3.92Å; P663-L667 HydrophobicContact CG-CD1 3.91Å; P663-L667 HydrophobicContact CG-CG 4.5Å; P663-Y768 WeakPolarHBondContact O-CE1 3.43Å; P663-Y768 PolarHBondContact O-OH 3.06Å
664	L	96	Very high	90.4	Very high	32 Å²	32	41.6 Å²	41.6	17%	0.168	24%	0.237	C	C	.	.	S	Bend	trans	-69.8	-26.6	176.4	-75.7	78.5	0	0	0	112.4	L715 W742 E755 V758	L664-L715 HydrophobicContact CG-CD2 4.21Å; L664-L715 VanDerWaalsContact O-CB 3.3Å; L664-L715 WeakPolarHBondContact O-CB 3.41Å; L664-L715 PolarHBondContact O-N 2.91Å; L664-W742 HydrophobicContact CD2-CZ2 4.21Å; L664-E755 HydrophobicContact CD2-CB 3.97Å; L664-E755 HydrophobicContact CD2-CG 4.45Å; L664-E755 WeakPolarHBondContact CD2-O 3.34Å; L664-V758 HydrophobicContact CD2-CB 4.14Å; L664-V758 HydrophobicContact CD2-CG1 4.41Å; L664-V758 HydrophobicContact CD2-CG2 4.23Å
665	T	93.9	Very high	90.6	Very high	60 Å²	60	46.8 Å²	46.8	37%	0.368	26%	0.255	S	S	.	.	S	Bend	trans	-138.3	155.6	178.4	59.7	0	0	0	0	111.5	P663 L667 D714	P663-T665 VanDerWaalsContact C-N 3.27Å; P663-T665 PolarHBondContact O-N 2.93Å; T665-L667 PolarHBondContact O-N 3.42Å; T665-D714 WeakPolarHBondContact CA-OD1 3.41Å; T665-D714 WeakPolarHBondContact CB-OD1 3.4Å
666	A	92.8	Very high	89.3	Confident	43 Å²	43	48.2 Å²	48.2	36%	0.355	27%	0.272	S	S	.	.			trans	55.4	39.6	176.7	0	0	0	0	0	115.2	N668 Y713 D714	A666-N668 PolarHBondContact O-N 3.31Å; A666-Y713 CarbonylContact C-O 3.55Å; A666-Y713 WeakPolarHBondContact CA-O 3.48Å; A666-Y713 PolarHBondContact N-O 3.23Å; A666-Y713 VanDerWaalsContact N-O 3.11Å; A666-D714 PolarHBondContact N-OD1 2.8Å
667	L	95.3	Very high	87.5	Confident	13 Å²	13	51.2 Å²	51.2	7%	0.068	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	113.1	165	174.6	61.5	0	0	0	108.9	L596 L641 P663 T665 M669 Y713 Y768	L596-L667 HydrophobicContact CD2-CD1 4.06Å; L596-L667 HydrophobicContact CD2-CD2 4Å; L641-L667 HydrophobicContact CD1-CD2 4.14Å; P663-L667 HydrophobicContact CG-CB 3.92Å; P663-L667 HydrophobicContact CG-CD1 3.91Å; P663-L667 HydrophobicContact CG-CG 4.5Å; T665-L667 PolarHBondContact O-N 3.42Å; L667-M669 HydrophobicContact CD1-SD 4.49Å; L667-M669 HydrophobicContact CD2-SD 3.92Å; L667-M669 HydrophobicContact CG-CG 4.4Å; L667-M669 HydrophobicContact CG-SD 4.03Å; L667-Y713 PolarHBondContact N-O 2.75Å; L667-Y713 PolarHBondContact O-N 2.92Å; L667-Y768 HydrophobicContact CB-CD1 4.12Å; L667-Y768 HydrophobicContact CB-CE1 3.71Å; L667-Y768 HydrophobicContact CD2-CD1 3.86Å; L667-Y768 HydrophobicContact CD2-CD2 4.03Å; L667-Y768 HydrophobicContact CD2-CE1 3.64Å; L667-Y768 HydrophobicContact CD2-CE2 3.81Å; L667-Y768 HydrophobicContact CD2-CG 4.05Å; L667-Y768 HydrophobicContact CG-CE1 4.3Å
668	N	92.9	Very high	85.3	Confident	58 Å²	58	57.4 Å²	57.4	31%	0.31	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	105.2	-179.4	-179.8	8.5	0	0	0	110.5	A666 A670 P671 L712	A666-N668 PolarHBondContact O-N 3.31Å; N668-A670 WeakPolarHBondContact OD1-CB 3.35Å; N668-A670 PolarHBondContact OD1-N 2.97Å; N668-A670 VanDerWaalsContact OD1-N 3.08Å; N668-P671 VanDerWaalsContact O-CD 3.3Å; N668-P671 WeakPolarHBondContact O-CD 3.15Å; N668-L712 HydrophobicContact CB-CD2 4.12Å
669	M	92.8	Very high	82.7	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.348	C	S	.	.			trans	-82.9	-10.3	-179.6	-68.9	-60.8	-60.6	0	0	113.9	F600 L632 L635 L639 L667 H672 V673 C711 Y713	F600-M669 HydrophobicContact CE1-CE 3.78Å; F600-M669 HydrophobicContact CE2-CE 4.26Å; F600-M669 HydrophobicContact CE2-SD 3.98Å; F600-M669 HydrophobicContact CZ-CE 3.57Å; F600-M669 HydrophobicContact CZ-SD 3.79Å; L632-M669 HydrophobicContact CD1-CE 3.35Å; L635-M669 HydrophobicContact CD1-CB 3.48Å; L635-M669 VanDerWaalsContact CD1-CB 3.48Å; L635-M669 HydrophobicContact CD1-CG 4.28Å; L635-M669 HydrophobicContact CD2-CB 4.17Å; L635-M669 HydrophobicContact CD2-CE 4.01Å; L635-M669 HydrophobicContact CG-CB 4.5Å; L639-M669 HydrophobicContact CD2-CE 3.92Å; L639-M669 HydrophobicContact CD2-CG 3.95Å; L639-M669 HydrophobicContact CD2-SD 3.74Å; L667-M669 HydrophobicContact CD1-SD 4.49Å; L667-M669 HydrophobicContact CD2-SD 3.92Å; L667-M669 HydrophobicContact CG-CG 4.4Å; L667-M669 HydrophobicContact CG-SD 4.03Å; M669-H672 PolarHBondContact O-N 2.9Å; M669-V673 PolarHBondContact O-N 3.22Å; M669-C711 PolarHBondContact N-O 2.9Å; M669-Y713 HydrophobicContact CB-CD2 4.35Å; M669-Y713 HydrophobicContact CB-CE2 4.31Å; M669-Y713 HydrophobicContact CG-CD2 3.61Å; M669-Y713 HydrophobicContact CG-CE2 3.86Å; M669-Y713 HydrophobicContact CG-CG 4.47Å
670	A	89.6	Confident	79.9	Confident	29 Å²	29	66.7 Å²	66.7	24%	0.24	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-32.3	-174.9	0	0	0	0	0	115.6	N668 H672 C711	N668-A670 WeakPolarHBondContact OD1-CB 3.35Å; N668-A670 PolarHBondContact OD1-N 2.97Å; N668-A670 VanDerWaalsContact OD1-N 3.08Å; A670-H672 VanDerWaalsContact C-N 3.26Å; A670-H672 PolarHBondContact O-N 3.27Å; A670-C711 HydrophobicContact CB-CB 3.92Å
671	P	88.6	Confident	77.2	Confident	85 Å²	85	76.1 Å²	76.1	55%	0.552	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-26.3	175.3	-22.9	35.3	0	0	0	114.2	N668	N668-P671 VanDerWaalsContact O-CD 3.3Å; N668-P671 WeakPolarHBondContact O-CD 3.15Å
672	H	86.7	Confident	74.3	Confident	12 Å²	12	76.7 Å²	76.7	6%	0.056	43%	0.427	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-9.4	-173.7	-45.6	-44.6	0	0	0	113.2	D597 F600 L632 M669 A670	D597-H672 IonicContact OD2-CE1 3.59Å; D597-H672 PolarHBondContact OD2-CE1 3.26Å; D597-H672 VanDerWaalsContact OD2-CE1 3.23Å; D597-H672 IonicContact OD2-NE2 2.7Å; F600-H672 VanDerWaalsContact CB-CE1 3.42Å; F600-H672 WeakPolarHBondContact CB-CE1 3.45Å; F600-H672 WeakPolarHBondContact CB-NE2 3.32Å; F600-H672 AromaticContact CD1-CD2 3.97Å; F600-H672 AromaticContact CD2-CD2 3.6Å; F600-H672 AromaticContact CD2-NE2 3.5Å; F600-H672 WeakPolarHBondContact CD2-NE2 3.44Å; F600-H672 AromaticContact CG-CD2 3.49Å; F600-H672 VanDerWaalsContact CG-CD2 3.49Å; F600-H672 WeakPolarHBondContact CG-CD2 3.44Å; F600-H672 AromaticContact CG-CG 3.93Å; F600-H672 AromaticContact CG-NE2 3.61Å; L632-H672 HydrophobicContact CD1-CB 4.09Å; L632-H672 PolarHBondContact N-O 3.5Å; M669-H672 PolarHBondContact O-N 2.9Å; A670-H672 VanDerWaalsContact C-N 3.26Å; A670-H672 PolarHBondContact O-N 3.27Å
673	V	88.3	Confident	71.3	Confident	34 Å²	34	83.5 Å²	83.5	21%	0.206	46%	0.463	C	S	.	.	B	Isolated β-bridge	trans	-82.1	134.5	174.4	176.7	0	0	0	0	110.5	L632 L635 M669 K675	L632-V673 HydrophobicContact CB-CG2 4.26Å; L632-V673 CarbonylContact O-C 3.57Å; L632-V673 WeakPolarHBondContact O-CA 3.38Å; L635-V673 HydrophobicContact CD1-CG2 3.72Å; L635-V673 HydrophobicContact CD2-CG2 3.75Å; L635-V673 HydrophobicContact CG-CG2 3.73Å; M669-V673 PolarHBondContact O-N 3.22Å; V673-K675 PolarHBondContact O-N 3.01Å; V673-K675 VanDerWaalsContact O-N 3.1Å
674	A	84.6	Confident	68.3	Low	18 Å²	18	90.7 Å²	90.7	15%	0.149	49%	0.492	C	S	.	.			trans	-62	111.5	172.6	0	0	0	0	0	110.1	L632 W633 S676	L632-A674 PolarHBondContact O-N 3.41Å; W633-A674 HydrophobicContact CE3-CB 4.11Å; A674-S676 PolarHBondContact O-N 3.42Å
675	K	77.3	Confident	65.3	Low	191 Å²	191	95.1 Å²	95.1	83%	0.83	53%	0.525	S	S	*	.			trans	-57.2	105.3	175.7	-64.4	-178.2	-178.4	-179.7	0	110	V673 S677	V673-K675 PolarHBondContact O-N 3.01Å; V673-K675 VanDerWaalsContact O-N 3.1Å; K675-S677 PolarHBondContact O-N 3.33Å
676	S	58.1	Low	62.2	Low	84 Å²	84	95.8 Å²	95.8	59%	0.587	55%	0.545	S	S	*	.			trans	-62.8	133.1	170	-171.2	0	0	0	0	109.2	A674 Q678	A674-S676 PolarHBondContact O-N 3.42Å; S676-Q678 PolarHBondContact O-N 3.1Å
677	S	46.7	Very low	59.4	Low	101 Å²	101	99.3 Å²	99.3	71%	0.706	57%	0.567	S	S	*	*			trans	-56.5	127.1	-174.3	-51.8	0	0	0	0	111	K675 S679	K675-S677 PolarHBondContact O-N 3.33Å; S677-S679 PolarHBondContact O-N 3.39Å
678	Q	39.6	Very low	56.3	Low	196 Å²	196	104.7 Å²	104.7	92%	0.916	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.8	34.1	-176.9	-66.9	-179	-29.7	0	0	114.1	S676	S676-Q678 PolarHBondContact O-N 3.1Å
679	S	35.1	Very low	53.3	Low	99 Å²	99	107.1 Å²	107.1	69%	0.692	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102	0.4	-171.4	-166.1	0	0	0	0	114.8	S677	S677-S679 PolarHBondContact O-N 3.39Å
680	M	35.7	Very low	50.3	Low	142 Å²	142	113.2 Å²	113.2	70%	0.7	67%	0.669	S	S	*	*	S	Bend	trans	-126.4	27.8	-177.5	-58.6	-145.1	-51.9	0	0	114.8	L264	L264-M680 HydrophobicContact CD1-CE 4.33Å; L264-M680 HydrophobicContact CD2-CE 3.74Å
681	K	37.8	Very low	47.7	Very low	198 Å²	198	117.5 Å²	117.5	86%	0.861	70%	0.697	S	S	*	*	S	Bend	trans	-104	-6.8	168.6	-75.9	-165.7	172.4	-171.7	0	114.8
682	N	35.4	Very low	44.9	Very low	155 Å²	155	124.3 Å²	124.3	83%	0.829	71%	0.712	S	S	*	*	S	Bend	trans	-110.3	46.4	-174.4	-67.9	0.3	0	0	0	113.2
683	L	34.1	Very low	42.4	Very low	152 Å²	152	132.7 Å²	132.7	80%	0.796	75%	0.748	S	S	*	*	S	Bend	trans	-145.1	21.6	180	-116.1	147	0	0	0	115.9
684	H	33.7	Very low	39.6	Very low	202 Å²	202	138.9 Å²	138.9	94%	0.935	78%	0.775	S	S	*	*			trans	-132.2	64.6	163	-71.9	-57.2	0	0	0	110.9
685	S	33.4	Very low	36.9	Very low	125 Å²	125	143.7 Å²	143.7	87%	0.874	80%	0.803	S	S	*	*			trans	-143.9	112.9	162.6	-168.7	0	0	0	0	110.1
686	G	28.4	Very low	34.9	Very low	75 Å²	75	140.2 Å²	140.2	77%	0.773	80%	0.803	S	S	*	*			trans	-166.8	67.6	-177.8	0	0	0	0	0	106.7
687	S	33.2	Very low	33.9	Very low	117 Å²	117	139.7 Å²	139.7	82%	0.818	81%	0.81	S	S	*	*				78.4	93.2	90	-169.9	0	0	0	0	111.7
688	S	29.8	Very low	33.2	Very low	126 Å²	126	144.3 Å²	144.3	88%	0.881	82%	0.821	S	S	*	*			trans	-122.5	138.6	147	56.9	0	0	0	0	106.9
689	S	30.9	Very low	32.8	Very low	108 Å²	108	141.3 Å²	141.3	76%	0.755	82%	0.816	S	S	*	*			trans	-115.4	134.2	-166.1	52.1	0	0	0	0	111.9
690	S	30.3	Very low	32.5	Very low	128 Å²	128	145.5 Å²	145.5	90%	0.895	82%	0.824	S	S	*	*			trans	-148	133.3	166.6	-76.7	0	0	0	0	109.4
691	S	34.8	Very low	32.6	Very low	119 Å²	119	144 Å²	144	83%	0.832	83%	0.825	S	S	*	*			trans	-87.5	136	-169.6	179.4	0	0	0	0	112.4
692	R	29.2	Very low	32.5	Very low	229 Å²	229	139.4 Å²	139.4	86%	0.864	82%	0.816	S	S	*	*			trans	-149.5	126.7	145.9	-149.1	167.6	-169	146.5	4.9	111.7
693	K	35.2	Very low	32.6	Very low	188 Å²	188	136.8 Å²	136.8	82%	0.817	82%	0.815	S	S	*	*			trans	-91.3	132.2	168.7	-71.5	179.7	176	178.9	0	109.8
694	Q	29.5	Very low	32.7	Very low	163 Å²	163	136.6 Å²	136.6	76%	0.762	82%	0.815	S	S	*	*			trans	-174.3	100	150.3	-102.8	158.6	-7.2	0	0	106.2
695	T	27.9	Very low	32.7	Very low	119 Å²	119	131.7 Å²	131.7	73%	0.73	80%	0.804	S	S	*	*				80.6	130.6	83	53.5	0	0	0	0	115.2
696	S	33.9	Very low	33	Very low	119 Å²	119	133.6 Å²	133.6	83%	0.832	80%	0.803	S	S	*	*			trans	57.8	87.7	159.2	56.4	0	0	0	0	119.9
697	G	36.9	Very low	33.8	Very low	72 Å²	72	134.9 Å²	134.9	74%	0.742	79%	0.792	S	S	*	*				91.4	108	108.4	0	0	0	0	0	119.8
698	Q	32.1	Very low	34.9	Very low	198 Å²	198	132.6 Å²	132.6	93%	0.925	77%	0.774	S	S	*	*			trans	-157.4	165.7	141.3	-117.1	162.3	74.2	0	0	112
699	T	31.2	Very low	36.3	Very low	133 Å²	133	132.8 Å²	132.8	82%	0.816	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-74.6	142.8	-165.2	37.4	0	0	0	0	115.4
700	H	29.7	Very low	38.4	Very low	187 Å²	187	132 Å²	132	87%	0.866	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-72.1	135	167	-64.2	-82.5	0	0	0	111.9
701	P	37.8	Very low	41.2	Very low	110 Å²	110	126.9 Å²	126.9	71%	0.714	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-78	159.2	157.5	33.2	-32.8	0	0	0	111.3
702	P	35.8	Very low	44	Very low	103 Å²	103	122.9 Å²	122.9	67%	0.669	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-71.5	158.1	-178.7	29.8	-35.6	0	0	0	113.5	D704	P702-D704 VanDerWaalsContact C-N 3.32Å; P702-D704 PolarHBondContact O-N 3.1Å; P702-D704 VanDerWaalsContact O-N 3.17Å
703	A	36.4	Very low	47.2	Very low	100 Å²	100	112 Å²	112	83%	0.826	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.1	15.7	-162.5	0	0	0	0	0	116.7
704	D	36.5	Very low	50.1	Low	148 Å²	148	103.5 Å²	103.5	79%	0.791	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-5.7	-173.5	-70.2	-50.6	0	0	0	114.9	P702 L706	P702-D704 VanDerWaalsContact C-N 3.32Å; P702-D704 PolarHBondContact O-N 3.1Å; P702-D704 VanDerWaalsContact O-N 3.17Å; D704-L706 PolarHBondContact O-N 3.13Å
705	S	34.3	Very low	53.4	Low	99 Å²	99	95.9 Å²	95.9	69%	0.692	57%	0.568	S	S	*	*			trans	-92.1	13.6	-168.4	-49.3	0	0	0	0	116.3
706	L	38.5	Very low	56.7	Low	165 Å²	165	90.6 Å²	90.6	86%	0.864	54%	0.535	S	S	*	.			trans	-115.8	34	-173.6	-66.6	178.9	0	0	0	115	D704	D704-L706 PolarHBondContact O-N 3.13Å
707	L	45.1	Very low	59.8	Low	102 Å²	102	85 Å²	85	53%	0.534	50%	0.495	S	S	.	.	S	Bend	trans	-64.9	138	156	-71.2	176.1	0	0	0	109.6	Q709	L707-Q709 PolarHBondContact O-N 3.14Å; L707-Q709 VanDerWaalsContact O-N 3.08Å
708	P	56.7	Low	62.7	Low	69 Å²	69	81.5 Å²	81.5	45%	0.448	46%	0.46	S	S	.	.			trans	-58.9	115.1	167.5	-21.7	33.3	0	0	0	109.8	D710 C711	P708-D710 PolarHBondContact O-N 3.34Å; P708-D710 VanDerWaalsContact O-N 3.11Å; P708-C711 PolarHBondContact O-N 3.42Å
709	Q	59.3	Low	65.9	Low	129 Å²	129	72.1 Å²	72.1	60%	0.603	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-62.5	-18.6	177.6	-66.6	175.2	-8.8	0	0	111.4	L707 C711 L712	L707-Q709 PolarHBondContact O-N 3.14Å; L707-Q709 VanDerWaalsContact O-N 3.08Å; Q709-C711 PolarHBondContact O-N 3.32Å; Q709-C711 VanDerWaalsContact O-N 3.13Å; Q709-L712 PolarHBondContact O-N 3.12Å
710	D	74.5	Confident	69.1	Low	93 Å²	93	65.8 Å²	65.8	50%	0.497	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-65.3	-1.4	171.3	-37	-56.7	0	0	0	114.4	P708 R770 N772	P708-D710 PolarHBondContact O-N 3.34Å; P708-D710 VanDerWaalsContact O-N 3.11Å; D710-R770 VanDerWaalsContact O-CD 3.3Å; D710-R770 WeakPolarHBondContact O-CD 3.45Å; D710-N772 PolarHBondContact OD1-ND2 2.94Å
711	C	89.1	Confident	72.3	Confident	19 Å²	19	57.1 Å²	57.1	13%	0.128	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-112.4	3.3	176.7	-70.4	0	0	0	0	114	M669 A670 P708 Q709	M669-C711 PolarHBondContact N-O 2.9Å; A670-C711 HydrophobicContact CB-CB 3.92Å; P708-C711 PolarHBondContact O-N 3.42Å; Q709-C711 PolarHBondContact O-N 3.32Å; Q709-C711 VanDerWaalsContact O-N 3.13Å
712	L	94.1	Very high	74.9	Confident	35 Å²	35	55.5 Å²	55.5	18%	0.183	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	134.3	179.9	-64.4	179.8	0	0	0	111.9	N668 Q709 R771	N668-L712 HydrophobicContact CB-CD2 4.12Å; Q709-L712 PolarHBondContact O-N 3.12Å; L712-R771 HydrophobicContact CB-CB 4.31Å; L712-R771 PolarHBondContact O-N 3Å
713	Y	96	Very high	77.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.7	-177.5	-73.8	-100.3	0	0	0	112	L635 P636 L639 A666 L667 M669 Q769 R770	L635-Y713 HydrophobicContact CB-CE2 4.47Å; L635-Y713 VanDerWaalsContact CB-OH 3.22Å; L635-Y713 WeakPolarHBondContact CB-OH 3.36Å; L635-Y713 HydrophobicContact CD1-CE2 3.99Å; P636-Y713 VanDerWaalsContact O-CE1 3.3Å; P636-Y713 WeakPolarHBondContact O-CE1 3.41Å; P636-Y713 PolarHBondContact O-OH 3.34Å; L639-Y713 HydrophobicContact CB-CD1 3.82Å; L639-Y713 HydrophobicContact CB-CE1 3.63Å; L639-Y713 HydrophobicContact CD2-CD1 4.17Å; L639-Y713 HydrophobicContact CD2-CE1 4.25Å; L639-Y713 HydrophobicContact CD2-CG 4.34Å; A666-Y713 CarbonylContact C-O 3.55Å; A666-Y713 WeakPolarHBondContact CA-O 3.48Å; A666-Y713 PolarHBondContact N-O 3.23Å; A666-Y713 VanDerWaalsContact N-O 3.11Å; L667-Y713 PolarHBondContact N-O 2.75Å; L667-Y713 PolarHBondContact O-N 2.92Å; M669-Y713 HydrophobicContact CB-CD2 4.35Å; M669-Y713 HydrophobicContact CB-CE2 4.31Å; M669-Y713 HydrophobicContact CG-CD2 3.61Å; M669-Y713 HydrophobicContact CG-CE2 3.86Å; M669-Y713 HydrophobicContact CG-CG 4.47Å; Y713-Q769 WeakPolarHBondContact CA-O 3.45Å; Y713-R770 HydrophobicContact CD1-CB 4.06Å; Y713-R770 HydrophobicContact CE1-CB 3.52Å; Y713-R770 HydrophobicContact CE1-CG 4.08Å; Y713-R770 HydrophobicContact CE2-CB 4.35Å; Y713-R770 HydrophobicContact CE2-CG 3.99Å; Y713-R770 WeakPolarHBondContact OH-CD 3.39Å
714	D	96.5	Very high	79.3	Confident	10 Å²	10	49.8 Å²	49.8	5%	0.053	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.2	174.2	-64.1	-55.7	0	0	0	110.2	T665 A666 Y768 Q769 R771 I774	T665-D714 WeakPolarHBondContact CA-OD1 3.41Å; T665-D714 WeakPolarHBondContact CB-OD1 3.4Å; A666-D714 PolarHBondContact N-OD1 2.8Å; D714-Y768 CarbonylContact O-C 3.51Å; D714-Y768 WeakPolarHBondContact O-CA 3.32Å; D714-Q769 PolarHBondContact N-O 3.26Å; D714-Q769 PolarHBondContact O-N 3.41Å; D714-R771 IonicContact OD1-CZ 3.6Å; D714-R771 IonicContact OD1-NE 3.28Å; D714-R771 IonicContact OD1-NH2 2.7Å; D714-R771 PolarHBondContact OD1-NH2 3.27Å; D714-R771 WeakPolarHBondContact OD2-CG 3.46Å; D714-R771 IonicContact OD2-CZ 3.21Å; D714-R771 IonicContact OD2-NE 2.95Å; D714-R771 PolarHBondContact OD2-NE 3.14Å; D714-R771 IonicContact OD2-NH2 2.98Å; D714-R771 PolarHBondContact OD2-NH2 3.31Å; D714-I774 HydrophobicContact CB-CD1 4.18Å
715	L	98.3	Very high	80.7	Confident	3 Å²	3	45.8 Å²	45.8	2%	0.016	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	132.9	-179.6	-171.7	81.3	0	0	0	109.2	F662 L664 V718 W742 V758 L766 Y768	F662-L715 HydrophobicContact CD2-CD2 3.84Å; F662-L715 HydrophobicContact CE2-CD2 3.57Å; L664-L715 HydrophobicContact CG-CD2 4.21Å; L664-L715 VanDerWaalsContact O-CB 3.3Å; L664-L715 WeakPolarHBondContact O-CB 3.41Å; L664-L715 PolarHBondContact O-N 2.91Å; L715-V718 HydrophobicContact CD1-CG2 4.24Å; L715-V718 HydrophobicContact CD2-CG2 3.75Å; L715-V718 HydrophobicContact CG-CG2 4.32Å; L715-W742 HydrophobicContact CB-CH2 4.38Å; L715-W742 HydrophobicContact CD2-CH2 3.75Å; L715-W742 HydrophobicContact CD2-CZ2 4.29Å; L715-W742 HydrophobicContact CG-CH2 3.88Å; L715-W742 WeakPolarHBondContact O-CZ2 3.42Å; L715-V758 HydrophobicContact CD2-CG1 4.24Å; L715-L766 HydrophobicContact CD1-CB 3.94Å; L715-Y768 HydrophobicContact CB-CD1 4.03Å; L715-Y768 HydrophobicContact CB-CE1 3.67Å; L715-Y768 HydrophobicContact CD1-CD1 4.26Å; L715-Y768 HydrophobicContact CD1-CD2 3.85Å; L715-Y768 HydrophobicContact CD1-CE1 3.93Å; L715-Y768 HydrophobicContact CD1-CE2 3.48Å; L715-Y768 VanDerWaalsContact CD1-CE2 3.48Å; L715-Y768 HydrophobicContact CD1-CG 4.22Å; L715-Y768 HydrophobicContact CG-CE1 4.41Å
716	Y	97.9	Very high	82.2	Confident	9 Å²	9	48.8 Å²	48.8	4%	0.035	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	-18	176.1	71.8	-90.6	0	0	0	113.6	N140 T141 I638 C734 R735 F767 Q769	N140-Y716 WeakPolarHBondContact O-CD2 3.39Å; N140-Y716 WeakPolarHBondContact O-CE2 3.36Å; T141-Y716 WeakPolarHBondContact CB-OH 3.46Å; T141-Y716 HydrophobicContact CG2-CE2 4.38Å; T141-Y716 VanDerWaalsContact CG2-OH 3.29Å; T141-Y716 WeakPolarHBondContact CG2-OH 3.4Å; T141-Y716 VanDerWaalsContact OG1-CE2 3.24Å; T141-Y716 WeakPolarHBondContact OG1-CE2 3.08Å; T141-Y716 PolarHBondContact OG1-OH 2.74Å; I638-Y716 HydrophobicContact CD1-CE1 4.38Å; I638-Y716 HydrophobicContact CG2-CE1 4.31Å; I638-Y716 VanDerWaalsContact CG2-OH 3.27Å; I638-Y716 WeakPolarHBondContact CG2-OH 3.35Å; Y716-C734 CarbonylContact O-C 3.26Å; Y716-C734 WeakPolarHBondContact O-CA 3.31Å; Y716-R735 PolarHBondContact O-N 2.8Å; Y716-F767 HydrophobicContact CD1-CB 4.45Å; Y716-F767 WeakPolarHBondContact CD1-O 3.18Å; Y716-F767 HydrophobicContact CE1-CB 3.84Å; Y716-F767 HydrophobicContact CE2-CB 4Å; Y716-F767 PolarHBondContact N-O 3.45Å; Y716-Q769 HydrophobicContact CD1-CB 3.82Å; Y716-Q769 HydrophobicContact CE1-CB 3.96Å
717	A	98.7	Very high	83.9	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	153.3	170.6	0	0	0	0	0	114.2	C137 Y733 C734 F767	C137-A717 HydrophobicContact CB-CB 3.94Å; A717-Y733 CarbonylContact C-O 3.55Å; A717-Y733 VanDerWaalsContact CA-O 3.25Å; A717-Y733 WeakPolarHBondContact CA-O 3.3Å; A717-C734 HydrophobicContact CB-CB 4.26Å; A717-F767 HydrophobicContact CB-CB 4Å; A717-F767 HydrophobicContact CB-CD2 4.14Å; A717-F767 HydrophobicContact CB-CG 4.28Å; A717-F767 PolarHBondContact N-O 3.01Å; A717-F767 PolarHBondContact O-N 3.13Å
718	V	98.8	Very high	86	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	117.1	175.2	179.4	0	0	0	0	108.9	F662 L715 N720 A732 Y733 V758 A763 I765 L766	F662-V718 HydrophobicContact CE2-CG2 4.04Å; F662-V718 HydrophobicContact CZ-CG2 4.1Å; L715-V718 HydrophobicContact CD1-CG2 4.24Å; L715-V718 HydrophobicContact CD2-CG2 3.75Å; L715-V718 HydrophobicContact CG-CG2 4.32Å; V718-N720 PolarHBondContact O-N 3.41Å; V718-A732 CarbonylContact O-C 3.33Å; V718-A732 WeakPolarHBondContact O-CA 3.18Å; V718-Y733 PolarHBondContact N-O 3.3Å; V718-Y733 PolarHBondContact O-N 3.37Å; V718-V758 HydrophobicContact CG2-CG1 4.09Å; V718-A763 HydrophobicContact CG1-CB 3.65Å; V718-I765 CarbonylContact C-O 3.58Å; V718-I765 WeakPolarHBondContact CA-O 3.47Å; V718-L766 HydrophobicContact CG1-CD2 4.01Å; V718-L766 HydrophobicContact CG2-CD2 3.99Å
719	C	98.6	Very high	87.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	115.4	163.2	-174.6	0	0	0	0	108.3	Y764 I765 F767	C719-Y764 WeakPolarHBondContact O-CA 3.43Å; C719-Y764 WeakPolarHBondContact O-CB 3.49Å; C719-Y764 PolarHBondContact O-N 3.09Å; C719-I765 HydrophobicContact CB-CB 4Å; C719-I765 HydrophobicContact CB-CG1 4.37Å; C719-I765 PolarHBondContact N-O 3.12Å; C719-I765 PolarHBondContact O-N 3.03Å; C719-I765 VanDerWaalsContact O-N 3.1Å; C719-F767 HydrophobicContact CB-CE2 4.35Å
720	N	98.2	Very high	89.8	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	140	177.1	-70.3	-63.1	0	0	0	110.3	V718 Y730 T731 Y733 T760 G762 A763	V718-N720 PolarHBondContact O-N 3.41Å; N720-Y730 VanDerWaalsContact O-CA 3.31Å; N720-Y730 WeakPolarHBondContact O-CA 3.15Å; N720-T731 WeakPolarHBondContact CB-OG1 3.34Å; N720-T731 PolarHBondContact N-O 3.24Å; N720-T731 PolarHBondContact O-N 3.49Å; N720-Y733 WeakPolarHBondContact ND2-CD1 3.31Å; N720-Y733 VanDerWaalsContact ND2-CD2 3.31Å; N720-Y733 WeakPolarHBondContact ND2-CD2 3.22Å; N720-Y733 VanDerWaalsContact ND2-CG 3.29Å; N720-T760 PolarHBondContact OD1-OG1 3.09Å; N720-G762 CarbonylContact C-O 3.55Å; N720-G762 WeakPolarHBondContact CA-O 3.43Å; N720-A763 WeakPolarHBondContact OD1-CA 3.33Å; N720-A763 PolarHBondContact OD1-N 3.3Å
721	H	96.6	Very high	90.9	Very high	5 Å²	5	28 Å²	28	2%	0.023	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	124.2	172.6	-177.6	-135.2	0	0	0	111.9	F646 K655 H729 Y730 G762 Y764	F646-H721 AromaticContact CE1-CE1 3.78Å; F646-H721 AromaticContact CE1-ND1 3.76Å; F646-H721 AromaticContact CZ-CE1 3.46Å; F646-H721 VanDerWaalsContact CZ-CE1 3.46Å; F646-H721 WeakPolarHBondContact CZ-CE1 3.42Å; F646-H721 AromaticContact CZ-ND1 3.31Å; F646-H721 VanDerWaalsContact CZ-ND1 3.31Å; F646-H721 WeakPolarHBondContact CZ-ND1 3.39Å; K655-H721 PolarHBondContact NZ-ND1 3.15Å; K655-H721 PolarHBondContact NZ-O 3Å; H721-H729 PolarHBondContact CD2-O 2.81Å; H721-Y730 HydrophobicContact CB-CD1 3.75Å; H721-Y730 HydrophobicContact CB-CE1 3.57Å; H721-Y730 AromaticContact CD2-CD1 3.85Å; H721-Y730 AromaticContact CD2-CD2 3.88Å; H721-Y730 AromaticContact CD2-CE1 3.64Å; H721-Y730 AromaticContact CD2-CE2 3.68Å; H721-Y730 AromaticContact CD2-CG 3.98Å; H721-Y730 AromaticContact CD2-CZ 3.56Å; H721-Y730 AromaticContact CG-CE1 3.61Å; H721-Y730 AromaticContact CG-CZ 3.83Å; H721-Y730 AromaticContact NE2-CE2 3.96Å; H721-Y730 AromaticContact NE2-CZ 3.99Å; H721-G762 PolarHBondContact N-O 3.01Å; H721-Y764 HydrophobicContact CB-CD1 4.41Å; H721-Y764 HydrophobicContact CB-CG 4.25Å
722	H	92.9	Very high	91.4	Very high	76 Å²	76	27.1 Å²	27.1	35%	0.352	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	158.6	176.8	-52.9	-67.7	0	0	0	110.8	G728 H729 T731	H722-G728 CarbonylContact O-C 3.56Å; H722-G728 WeakPolarHBondContact O-CA 3.34Å; H722-H729 PolarHBondContact N-O 3.27Å; H722-H729 PolarHBondContact O-N 3.14Å; H722-T731 PolarHBondContact NE2-OG1 3.01Å; H722-T731 VanDerWaalsContact NE2-OG1 3.09Å
723	G	88.3	Confident	91.6	Very high	54 Å²	54	27.1 Å²	27.1	56%	0.557	16%	0.162	S	C	*	.	E	Extended strand (participates in β ladder)	trans	71.8	-158.1	-176.2	0	0	0	0	0	114.5	K655	K655-G723 WeakPolarHBondContact CD-O 3.28Å; K655-G723 WeakPolarHBondContact CE-O 3.46Å; K655-G723 PolarHBondContact NZ-O 3.41Å
724	G	77.3	Confident	91.7	Very high	29 Å²	29	27.1 Å²	27.1	30%	0.299	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	-175.1	-169.8	0	0	0	0	0	115	H726 G727	G724-H726 VanDerWaalsContact C-N 3.33Å; G724-H726 PolarHBondContact O-N 3.01Å; G724-G727 PolarHBondContact N-O 3.32Å; G724-G727 CarbonylContact O-C 3.6Å; G724-G727 VanDerWaalsContact O-C 3.26Å; G724-G727 PolarHBondContact O-N 3.38Å
725	M	66.1	Low	91.8	Very high	65 Å²	65	28.5 Å²	28.5	32%	0.32	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-22.3	-172	-74.1	179.4	71.8	0	0	115.7	F646 R653	F646-M725 HydrophobicContact CB-CE 4.18Å; F646-M725 HydrophobicContact CB-CG 4.44Å; F646-M725 HydrophobicContact CB-SD 3.98Å; F646-M725 HydrophobicContact CD1-CG 3.27Å; F646-M725 HydrophobicContact CD1-SD 3.88Å; F646-M725 HydrophobicContact CE1-CG 3.62Å; F646-M725 HydrophobicContact CG-CG 4.08Å; F646-M725 HydrophobicContact CG-SD 4.27Å; R653-M725 HydrophobicContact CB-CE 4.13Å; R653-M725 HydrophobicContact CB-SD 3.74Å; R653-M725 HydrophobicContact CG-CE 4.08Å; R653-M725 HydrophobicContact CG-SD 4.31Å
726	H	65.4	Low	91.6	Very high	161 Å²	161	28.3 Å²	28.3	75%	0.745	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.8	1.3	179.2	-55.8	115	0	0	0	113	G724	G724-H726 VanDerWaalsContact C-N 3.33Å; G724-H726 PolarHBondContact O-N 3.01Å
727	G	74.4	Confident	91.4	Very high	41 Å²	41	28 Å²	28	42%	0.423	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	173.2	104.6	-169.4	0	0	0	0	0	109.9	G724	G724-G727 PolarHBondContact N-O 3.32Å; G724-G727 CarbonylContact O-C 3.6Å; G724-G727 VanDerWaalsContact O-C 3.26Å; G724-G727 PolarHBondContact O-N 3.38Å
728	G	88.8	Confident	91	Very high	12 Å²	12	28.8 Å²	28.8	12%	0.124	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	-168.4	178.6	0	0	0	0	0	111.8	Q218 H722	Q218-G728 PolarHBondContact NE2-O 3.35Å; Q218-G728 PolarHBondContact OE1-O 3.42Å; H722-G728 CarbonylContact O-C 3.56Å; H722-G728 WeakPolarHBondContact O-CA 3.34Å
729	H	96.6	Very high	90.6	Very high	54 Å²	54	29.9 Å²	29.9	25%	0.25	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	137.5	-179	-172.8	50.6	0	0	0	111	C129 H721 H722 D746 D747	C129-H729 VanDerWaalsContact CB-CE1 3.44Å; C129-H729 WeakPolarHBondContact CB-CE1 3.48Å; C129-H729 WeakPolarHBondContact CB-ND1 3.34Å; C129-H729 PolarHBondContact SG-ND1 3.15Å; H721-H729 PolarHBondContact CD2-O 2.81Å; H722-H729 PolarHBondContact N-O 3.27Å; H722-H729 PolarHBondContact O-N 3.14Å; H729-D746 IonicContact CD2-OD1 2.77Å; H729-D746 IonicContact CE1-OD1 2.71Å; H729-D746 IonicContact NE2-OD1 3.12Å; H729-D746 PolarHBondContact NE2-OD1 3.12Å; H729-D746 IonicContact NE2-OD2 2.61Å; H729-D747 IonicContact CE1-OD2 3.7Å; H729-D747 PolarHBondContact CE1-OD2 3.15Å
730	Y	98.2	Very high	90.3	Very high	10 Å²	10	30.3 Å²	30.3	4%	0.039	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	140.7	-179.2	-68.1	-90.6	0	0	0	111.1	F130 H219 A221 N720 H721 Y764	F130-Y730 HydrophobicContact CB-CD2 3.57Å; F130-Y730 HydrophobicContact CB-CE2 3.74Å; F130-Y730 HydrophobicContact CB-CG 4.17Å; H219-Y730 WeakPolarHBondContact O-CE2 3.43Å; H219-Y730 PolarHBondContact O-OH 3.42Å; A221-Y730 HydrophobicContact CB-CD1 3.76Å; A221-Y730 HydrophobicContact CB-CE1 3.46Å; A221-Y730 VanDerWaalsContact CB-CE1 3.46Å; A221-Y730 HydrophobicContact CB-CG 4.45Å; A221-Y730 PolarHBondContact N-OH 3.07Å; N720-Y730 VanDerWaalsContact O-CA 3.31Å; N720-Y730 WeakPolarHBondContact O-CA 3.15Å; H721-Y730 HydrophobicContact CB-CD1 3.75Å; H721-Y730 HydrophobicContact CB-CE1 3.57Å; H721-Y730 AromaticContact CD2-CD1 3.85Å; H721-Y730 AromaticContact CD2-CD2 3.88Å; H721-Y730 AromaticContact CD2-CE1 3.64Å; H721-Y730 AromaticContact CD2-CE2 3.68Å; H721-Y730 AromaticContact CD2-CG 3.98Å; H721-Y730 AromaticContact CD2-CZ 3.56Å; H721-Y730 AromaticContact CG-CE1 3.61Å; H721-Y730 AromaticContact CG-CZ 3.83Å; H721-Y730 AromaticContact NE2-CE2 3.96Å; H721-Y730 AromaticContact NE2-CZ 3.99Å; Y730-Y764 AromaticContact CE1-CD1 3.85Å; Y730-Y764 HydrophobicContact CE1-CD1 3.85Å; Y730-Y764 HydrophobicContact CE1-CE1 4.17Å
731	T	98.6	Very high	90.2	Very high	5 Å²	5	34.7 Å²	34.7	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.3	177.7	50.3	0	0	0	0	107.9	N720 H722 D746	N720-T731 WeakPolarHBondContact CB-OG1 3.34Å; N720-T731 PolarHBondContact N-O 3.24Å; N720-T731 PolarHBondContact O-N 3.49Å; H722-T731 PolarHBondContact NE2-OG1 3.01Å; H722-T731 VanDerWaalsContact NE2-OG1 3.09Å; T731-D746 HydrophobicContact CG2-CB 3.87Å
732	A	98.8	Very high	90.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.1	176.8	0	0	0	0	0	110.5	A133 Q136 V718 S744 Y745	A133-A732 HydrophobicContact CB-CB 4.11Å; Q136-A732 HydrophobicContact CB-CB 3.86Å; V718-A732 CarbonylContact O-C 3.33Å; V718-A732 WeakPolarHBondContact O-CA 3.18Å; A732-S744 CarbonylContact O-C 3.48Å; A732-S744 WeakPolarHBondContact O-CA 3.43Å; A732-Y745 PolarHBondContact N-O 2.82Å; A732-Y745 VanDerWaalsContact N-O 3.09Å; A732-Y745 PolarHBondContact O-N 3.02Å
733	Y	98.8	Very high	90.5	Very high	35 Å²	35	32.2 Å²	32.2	14%	0.137	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.4	163.7	-63.4	-8.7	0	0	0	107.4	A717 V718 N720 Y743 S744 V753 V758 T760	A717-Y733 CarbonylContact C-O 3.55Å; A717-Y733 VanDerWaalsContact CA-O 3.25Å; A717-Y733 WeakPolarHBondContact CA-O 3.3Å; V718-Y733 PolarHBondContact N-O 3.3Å; V718-Y733 PolarHBondContact O-N 3.37Å; N720-Y733 WeakPolarHBondContact ND2-CD1 3.31Å; N720-Y733 VanDerWaalsContact ND2-CD2 3.31Å; N720-Y733 WeakPolarHBondContact ND2-CD2 3.22Å; N720-Y733 VanDerWaalsContact ND2-CG 3.29Å; Y733-Y743 CarbonylContact C-O 3.54Å; Y733-Y743 VanDerWaalsContact CA-O 3.3Å; Y733-Y743 WeakPolarHBondContact CA-O 3.49Å; Y733-S744 WeakPolarHBondContact CE1-OG 3.35Å; Y733-V753 HydrophobicContact CD2-CG1 4.46Å; Y733-V753 HydrophobicContact CE1-CG2 4.48Å; Y733-V753 HydrophobicContact CE2-CG1 4.4Å; Y733-V758 HydrophobicContact CD2-CG1 4.35Å; Y733-T760 HydrophobicContact CE2-CG2 3.61Å
734	C	98.6	Very high	91	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	142.6	179.5	-53	0	0	0	0	111.2	N140 Y716 A717 W742 Y743 Y745	N140-C734 HydrophobicContact CB-CB 3.76Å; Y716-C734 CarbonylContact O-C 3.26Å; Y716-C734 WeakPolarHBondContact O-CA 3.31Å; A717-C734 HydrophobicContact CB-CB 4.26Å; C734-W742 WeakPolarHBondContact O-CA 3.32Å; C734-Y743 PolarHBondContact N-O 2.98Å; C734-Y743 PolarHBondContact O-N 3.21Å; C734-Y745 HydrophobicContact CB-CD2 4.4Å; C734-Y745 HydrophobicContact CB-CE2 3.85Å
735	R	97.3	Very high	92	Very high	39 Å²	39	29.2 Å²	29.2	15%	0.147	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	122.9	170.4	-162.3	-178.3	-163.2	146.3	20.6	109.5	Y716 G740 Q741 W742 E755	Y716-R735 PolarHBondContact O-N 2.8Å; R735-G740 WeakPolarHBondContact CG-O 3.43Å; R735-G740 PolarHBondContact NE-O 2.86Å; R735-G740 PolarHBondContact NH2-O 2.93Å; R735-Q741 CarbonylContact C-O 3.58Å; R735-Q741 WeakPolarHBondContact CA-O 3.42Å; R735-W742 HydrophobicContact CB-CD2 3.94Å; R735-W742 HydrophobicContact CB-CE3 4.23Å; R735-W742 HydrophobicContact CB-CG 4.45Å; R735-W742 HydrophobicContact CB-CH2 4.2Å; R735-W742 HydrophobicContact CB-CZ2 3.93Å; R735-W742 HydrophobicContact CB-CZ3 4.36Å; R735-W742 HydrophobicContact CG-CD2 4.39Å; R735-W742 HydrophobicContact CG-CG 4.5Å; R735-W742 HydrophobicContact CG-CZ2 4.48Å; R735-E755 IonicContact CZ-OE1 3.99Å; R735-E755 VanDerWaalsContact CZ-OE1 3.32Å; R735-E755 IonicContact NH1-OE1 3.41Å; R735-E755 IonicContact NH2-OE1 3.72Å; R735-E755 PolarHBondContact NH2-OE1 3.34Å
736	N	95.5	Very high	93.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.154	C	C	.	.			trans	-79.7	132.7	178.1	-175.4	-81.4	0	0	0	110.8	P117 V738 D739 G740 Q741 Y743	P117-N736 PolarHBondContact O-ND2 3.18Å; N736-V738 PolarHBondContact O-N 2.91Å; N736-V738 WeakPolarHBondContact OD1-CA 3.39Å; N736-V738 VanDerWaalsContact OD1-CB 3.32Å; N736-V738 WeakPolarHBondContact OD1-CB 3.48Å; N736-V738 PolarHBondContact OD1-N 3.03Å; N736-D739 PolarHBondContact OD1-N 3.36Å; N736-G740 WeakPolarHBondContact O-CA 3.28Å; N736-G740 PolarHBondContact O-N 2.9Å; N736-Q741 PolarHBondContact N-O 3.26Å; N736-Y743 HydrophobicContact CB-CD2 4Å; N736-Y743 HydrophobicContact CB-CE2 3.93Å
737	S	92.8	Very high	95.1	Very high	2 Å²	2	22.3 Å²	22.3	1%	0.014	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	0.5	-176.5	43.5	0	0	0	0	115.7	D142 S778 A779	D142-S737 WeakPolarHBondContact OD1-CB 3.46Å; D142-S737 PolarHBondContact OD1-OG 3.17Å; S737-S778 VanDerWaalsContact CB-OG 3.26Å; S737-S778 WeakPolarHBondContact CB-OG 3.42Å; S737-A779 WeakPolarHBondContact O-CB 3.2Å; S737-A779 PolarHBondContact O-N 3.41Å
738	V	90.6	Very high	96.3	Very high	17 Å²	17	23.9 Å²	23.9	10%	0.103	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-38.5	171.6	174.2	0	0	0	0	112.2	L108 W190 N736 H794	L108-V738 HydrophobicContact CD1-CB 4.32Å; L108-V738 HydrophobicContact CD1-CG1 3.59Å; L108-V738 HydrophobicContact CD1-CG2 3.68Å; W190-V738 HydrophobicContact CZ3-CG2 4.07Å; N736-V738 PolarHBondContact O-N 2.91Å; N736-V738 WeakPolarHBondContact OD1-CA 3.39Å; N736-V738 VanDerWaalsContact OD1-CB 3.32Å; N736-V738 WeakPolarHBondContact OD1-CB 3.48Å; N736-V738 PolarHBondContact OD1-N 3.03Å; V738-H794 WeakPolarHBondContact CG2-NE2 3.5Å
739	D	91.1	Very high	96.7	Very high	23 Å²	23	26.4 Å²	26.4	12%	0.123	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-1.3	-177.9	66.6	18.3	0	0	0	115.7	T116 N736 Q741 Y743	T116-D739 VanDerWaalsContact CG2-OD2 3.31Å; T116-D739 WeakPolarHBondContact CG2-OD2 3.4Å; T116-D739 PolarHBondContact OG1-OD2 3.37Å; N736-D739 PolarHBondContact OD1-N 3.36Å; D739-Q741 HydrophobicContact CB-CG 4.4Å; D739-Q741 PolarHBondContact O-N 2.86Å; D739-Q741 PolarHBondContact O-NE2 2.74Å; D739-Q741 WeakPolarHBondContact OD1-CB 3.32Å; D739-Q741 WeakPolarHBondContact OD1-CG 3.44Å; D739-Q741 PolarHBondContact OD1-N 2.91Å; D739-Q741 VanDerWaalsContact OD1-N 3.1Å; D739-Y743 PolarHBondContact OD2-OH 2.9Å
740	G	91.8	Very high	96.8	Very high	9 Å²	9	25.7 Å²	25.7	9%	0.093	14%	0.143	C	C	.	.			trans	71.4	5	175.9	0	0	0	0	0	114.9	R735 N736	R735-G740 WeakPolarHBondContact CG-O 3.43Å; R735-G740 PolarHBondContact NE-O 2.86Å; R735-G740 PolarHBondContact NH2-O 2.93Å; N736-G740 WeakPolarHBondContact O-CA 3.28Å; N736-G740 PolarHBondContact O-N 2.9Å
741	Q	95.3	Very high	96.7	Very high	92 Å²	92	30 Å²	30	43%	0.43	17%	0.167	S	C	.	.			trans	-84.5	156.5	-178.1	-54.8	-51.8	-68.9	0	0	111.9	R735 N736 D739 Y743 L752	R735-Q741 CarbonylContact C-O 3.58Å; R735-Q741 WeakPolarHBondContact CA-O 3.42Å; N736-Q741 PolarHBondContact N-O 3.26Å; D739-Q741 HydrophobicContact CB-CG 4.4Å; D739-Q741 PolarHBondContact O-N 2.86Å; D739-Q741 PolarHBondContact O-NE2 2.74Å; D739-Q741 WeakPolarHBondContact OD1-CB 3.32Å; D739-Q741 WeakPolarHBondContact OD1-CG 3.44Å; D739-Q741 PolarHBondContact OD1-N 2.91Å; D739-Q741 VanDerWaalsContact OD1-N 3.1Å; Q741-Y743 HydrophobicContact CB-CD2 4.49Å; Q741-Y743 HydrophobicContact CB-CE2 3.81Å; Q741-L752 HydrophobicContact CB-CD1 4.26Å; Q741-L752 HydrophobicContact CG-CD1 4.45Å
742	W	98.3	Very high	96.7	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.011	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	138.6	173.3	-73.2	84.5	0	0	0	111.4	L664 L715 C734 R735 V753 E755 V758	L664-W742 HydrophobicContact CD2-CZ2 4.21Å; L715-W742 HydrophobicContact CB-CH2 4.38Å; L715-W742 HydrophobicContact CD2-CH2 3.75Å; L715-W742 HydrophobicContact CD2-CZ2 4.29Å; L715-W742 HydrophobicContact CG-CH2 3.88Å; L715-W742 WeakPolarHBondContact O-CZ2 3.42Å; C734-W742 WeakPolarHBondContact O-CA 3.32Å; R735-W742 HydrophobicContact CB-CD2 3.94Å; R735-W742 HydrophobicContact CB-CE3 4.23Å; R735-W742 HydrophobicContact CB-CG 4.45Å; R735-W742 HydrophobicContact CB-CH2 4.2Å; R735-W742 HydrophobicContact CB-CZ2 3.93Å; R735-W742 HydrophobicContact CB-CZ3 4.36Å; R735-W742 HydrophobicContact CG-CD2 4.39Å; R735-W742 HydrophobicContact CG-CG 4.5Å; R735-W742 HydrophobicContact CG-CZ2 4.48Å; W742-V753 HydrophobicContact CB-CB 4.23Å; W742-V753 WeakPolarHBondContact CB-O 3.43Å; W742-V753 PolarHBondContact O-N 3.41Å; W742-E755 PolarHBondContact NE1-OE1 2.87Å; W742-V758 HydrophobicContact CB-CG2 4.26Å; W742-V758 HydrophobicContact CD2-CG1 4.49Å; W742-V758 HydrophobicContact CD2-CG2 3.78Å; W742-V758 HydrophobicContact CE3-CG1 4.09Å; W742-V758 HydrophobicContact CE3-CG2 3.97Å; W742-V758 HydrophobicContact CG-CG2 3.93Å; W742-V758 HydrophobicContact CH2-CG1 4.24Å; W742-V758 HydrophobicContact CZ3-CG1 3.96Å
743	Y	98.6	Very high	96.6	Very high	25 Å²	25	35.3 Å²	35.3	10%	0.098	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	136.6	179.4	-68.4	-83.6	0	0	0	111	V119 Y733 C734 N736 D739 Q741 Y745 V750 D751 L752	V119-Y743 HydrophobicContact CG1-CD1 3.62Å; V119-Y743 HydrophobicContact CG1-CD2 4.37Å; V119-Y743 HydrophobicContact CG1-CE1 3.66Å; V119-Y743 HydrophobicContact CG1-CE2 4.39Å; V119-Y743 HydrophobicContact CG1-CG 3.98Å; V119-Y743 HydrophobicContact CG2-CD2 3.93Å; V119-Y743 HydrophobicContact CG2-CE1 4.36Å; V119-Y743 HydrophobicContact CG2-CE2 3.68Å; V119-Y743 HydrophobicContact CG2-CG 4.36Å; Y733-Y743 CarbonylContact C-O 3.54Å; Y733-Y743 VanDerWaalsContact CA-O 3.3Å; Y733-Y743 WeakPolarHBondContact CA-O 3.49Å; C734-Y743 PolarHBondContact N-O 2.98Å; C734-Y743 PolarHBondContact O-N 3.21Å; N736-Y743 HydrophobicContact CB-CD2 4Å; N736-Y743 HydrophobicContact CB-CE2 3.93Å; D739-Y743 PolarHBondContact OD2-OH 2.9Å; Q741-Y743 HydrophobicContact CB-CD2 4.49Å; Q741-Y743 HydrophobicContact CB-CE2 3.81Å; Y743-Y745 WeakPolarHBondContact O-CD2 3.46Å; Y743-Y745 WeakPolarHBondContact O-CE2 3.48Å; Y743-V750 HydrophobicContact CD1-CG1 4.22Å; Y743-V750 HydrophobicContact CG-CG1 4.5Å; Y743-D751 CarbonylContact C-O 3.59Å; Y743-D751 WeakPolarHBondContact CA-O 3.38Å; Y743-L752 HydrophobicContact CD1-CB 4.23Å; Y743-L752 HydrophobicContact CE1-CB 4.08Å; Y743-L752 HydrophobicContact CE1-CD1 4.15Å; Y743-L752 HydrophobicContact CE1-CG 4.4Å
744	S	98.6	Very high	96.6	Very high	17 Å²	17	36.2 Å²	36.2	12%	0.119	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.2	168.7	171.1	0	0	0	0	109.7	A732 Y733 V750 D751 V753	A732-S744 CarbonylContact O-C 3.48Å; A732-S744 WeakPolarHBondContact O-CA 3.43Å; Y733-S744 WeakPolarHBondContact CE1-OG 3.35Å; S744-V750 VanDerWaalsContact O-CA 3.25Å; S744-V750 WeakPolarHBondContact O-CA 3.44Å; S744-D751 PolarHBondContact N-O 2.99Å; S744-D751 PolarHBondContact O-N 2.77Å; S744-V753 VanDerWaalsContact CB-CG2 3.44Å
745	Y	98.7	Very high	96.4	Very high	4 Å²	4	40.4 Å²	40.4	2%	0.016	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	99.8	173.8	-57.9	-97.6	0	0	0	108.2	Q136 A732 C734 Y743 V750	Q136-Y745 HydrophobicContact CB-CG 4.34Å; Q136-Y745 HydrophobicContact CG-CD1 4.12Å; Q136-Y745 HydrophobicContact CG-CG 3.96Å; A732-Y745 PolarHBondContact N-O 2.82Å; A732-Y745 VanDerWaalsContact N-O 3.09Å; A732-Y745 PolarHBondContact O-N 3.02Å; C734-Y745 HydrophobicContact CB-CD2 4.4Å; C734-Y745 HydrophobicContact CB-CE2 3.85Å; Y743-Y745 WeakPolarHBondContact O-CD2 3.46Å; Y743-Y745 WeakPolarHBondContact O-CE2 3.48Å; Y745-V750 HydrophobicContact CD1-CB 4.39Å; Y745-V750 HydrophobicContact CD1-CG1 3.82Å; Y745-V750 HydrophobicContact CD1-CG2 3.63Å; Y745-V750 HydrophobicContact CE1-CG1 3.69Å; Y745-V750 HydrophobicContact CE1-CG2 4.01Å; Y745-V750 HydrophobicContact CG-CG1 4.38Å
746	D	98.4	Very high	96.2	Very high	62 Å²	62	45 Å²	45	33%	0.332	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	87.2	173.6	-174.8	-1	0	0	0	109.3	H729 T731 S748 S749	H729-D746 IonicContact CD2-OD1 2.77Å; H729-D746 IonicContact CE1-OD1 2.71Å; H729-D746 IonicContact NE2-OD1 3.12Å; H729-D746 PolarHBondContact NE2-OD1 3.12Å; H729-D746 IonicContact NE2-OD2 2.61Å; T731-D746 HydrophobicContact CG2-CB 3.87Å; D746-S748 PolarHBondContact O-N 3.06Å; D746-S749 PolarHBondContact N-O 3.29Å; D746-S749 PolarHBondContact O-N 2.97Å
747	D	98.3	Very high	96.2	Very high	19 Å²	19	50.6 Å²	50.6	10%	0.102	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	45.4	-100.8	-164.8	-74.7	-50.9	0	0	0	111.1	G121 L122 N124 C129 N132 H729	G121-D747 CarbonylContact C-O 3.56Å; G121-D747 WeakPolarHBondContact CA-O 3.36Å; L122-D747 PolarHBondContact N-O 3.47Å; L122-D747 CarbonylContact O-C 3.54Å; L122-D747 WeakPolarHBondContact O-CA 3.24Å; N124-D747 HydrophobicContact CB-CB 4.23Å; N124-D747 WeakPolarHBondContact CB-OD2 3.39Å; N124-D747 PolarHBondContact ND2-OD2 3Å; C129-D747 WeakPolarHBondContact CA-OD1 3.49Å; N132-D747 PolarHBondContact ND2-OD1 3.33Å; H729-D747 IonicContact CE1-OD2 3.7Å; H729-D747 PolarHBondContact CE1-OD2 3.15Å
748	S	97.8	Very high	96.4	Very high	74 Å²	74	50.5 Å²	50.5	52%	0.517	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-12	-173.8	-53.7	0	0	0	0	113.9	L122 K123 D746	L122-S748 WeakPolarHBondContact O-CA 3.37Å; L122-S748 PolarHBondContact O-N 3.32Å; L122-S748 PolarHBondContact O-OG 2.76Å; K123-S748 WeakPolarHBondContact CA-OG 3.43Å; D746-S748 PolarHBondContact O-N 3.06Å
749	S	97.9	Very high	96.7	Very high	64 Å²	64	51.5 Å²	51.5	45%	0.448	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	139.7	171.8	-57.1	0	0	0	0	109.3	D746	D746-S749 PolarHBondContact N-O 3.29Å; D746-S749 PolarHBondContact O-N 2.97Å
750	V	98.1	Very high	96.9	Very high	40 Å²	40	51.7 Å²	51.7	24%	0.242	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	122.3	171	-168.4	0	0	0	0	109.2	V119 G121 Y743 S744 Y745	V119-V750 HydrophobicContact CG1-CB 4.45Å; V119-V750 HydrophobicContact CG1-CG1 3.58Å; G121-V750 VanDerWaalsContact N-CG2 3.26Å; Y743-V750 HydrophobicContact CD1-CG1 4.22Å; Y743-V750 HydrophobicContact CG-CG1 4.5Å; S744-V750 VanDerWaalsContact O-CA 3.25Å; S744-V750 WeakPolarHBondContact O-CA 3.44Å; Y745-V750 HydrophobicContact CD1-CB 4.39Å; Y745-V750 HydrophobicContact CD1-CG1 3.82Å; Y745-V750 HydrophobicContact CD1-CG2 3.63Å; Y745-V750 HydrophobicContact CE1-CG1 3.69Å; Y745-V750 HydrophobicContact CE1-CG2 4.01Å; Y745-V750 HydrophobicContact CG-CG1 4.38Å
751	D	97.8	Very high	96.9	Very high	101 Å²	101	56.3 Å²	56.3	54%	0.54	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	148.3	-174.4	-62.6	-77.7	0	0	0	109.5	Y743 S744	Y743-D751 CarbonylContact C-O 3.59Å; Y743-D751 WeakPolarHBondContact CA-O 3.38Å; S744-D751 PolarHBondContact N-O 2.99Å; S744-D751 PolarHBondContact O-N 2.77Å
752	L	97.7	Very high	96.9	Very high	105 Å²	105	52.3 Å²	52.3	55%	0.55	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	140.8	177.7	-176.1	144.9	0	0	0	110.6	Q741 Y743	Q741-L752 HydrophobicContact CB-CD1 4.26Å; Q741-L752 HydrophobicContact CG-CD1 4.45Å; Y743-L752 HydrophobicContact CD1-CB 4.23Å; Y743-L752 HydrophobicContact CE1-CB 4.08Å; Y743-L752 HydrophobicContact CE1-CD1 4.15Å; Y743-L752 HydrophobicContact CE1-CG 4.4Å
753	V	97.7	Very high	96.9	Very high	11 Å²	11	52.1 Å²	52.1	7%	0.067	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	128.5	-174.4	178.8	0	0	0	0	110.2	Y733 W742 S744 E757 V758	Y733-V753 HydrophobicContact CD2-CG1 4.46Å; Y733-V753 HydrophobicContact CE1-CG2 4.48Å; Y733-V753 HydrophobicContact CE2-CG1 4.4Å; W742-V753 HydrophobicContact CB-CB 4.23Å; W742-V753 WeakPolarHBondContact CB-O 3.43Å; W742-V753 PolarHBondContact O-N 3.41Å; S744-V753 VanDerWaalsContact CB-CG2 3.44Å; V753-E757 HydrophobicContact CG1-CB 4.08Å; V753-V758 HydrophobicContact CG1-CG2 4.01Å
754	P	96.8	Very high	96.9	Very high	53 Å²	53	51 Å²	51	34%	0.344	28%	0.282	S	S	.	.			trans	-63.1	145.4	169.2	-22.3	34.5	0	0	0	112.6	D756 E757	P754-D756 WeakPolarHBondContact CB-OD1 3.5Å; P754-D756 PolarHBondContact O-N 3.14Å; P754-E757 HydrophobicContact CB-CG 4.25Å; P754-E757 HydrophobicContact CG-CG 4.23Å; P754-E757 PolarHBondContact O-N 3.33Å
755	E	94.7	Very high	96.9	Very high	88 Å²	88	50.2 Å²	50.2	41%	0.411	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-59.2	-31.3	-177.6	-68.4	-153.1	141.8	0	0	113.3	L664 R735 W742 V758	L664-E755 HydrophobicContact CD2-CB 3.97Å; L664-E755 HydrophobicContact CD2-CG 4.45Å; L664-E755 WeakPolarHBondContact CD2-O 3.34Å; R735-E755 IonicContact CZ-OE1 3.99Å; R735-E755 VanDerWaalsContact CZ-OE1 3.32Å; R735-E755 IonicContact NH1-OE1 3.41Å; R735-E755 IonicContact NH2-OE1 3.72Å; R735-E755 PolarHBondContact NH2-OE1 3.34Å; W742-E755 PolarHBondContact NE1-OE1 2.87Å; E755-V758 PolarHBondContact O-N 3.29Å
756	D	94.8	Very high	96.9	Very high	135 Å²	135	50 Å²	50	72%	0.722	28%	0.276	S	S	*	.	G	3₁₀ helix	trans	-72.6	-24.9	177	57.1	-55.9	0	0	0	113.8	P754	P754-D756 WeakPolarHBondContact CB-OD1 3.5Å; P754-D756 PolarHBondContact O-N 3.14Å
757	E	95.4	Very high	96.9	Very high	119 Å²	119	47 Å²	47	56%	0.556	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-82.3	-12.7	176.6	-65.8	-167.4	172.5	0	0	113.5	V753 P754 C759 T760	V753-E757 HydrophobicContact CG1-CB 4.08Å; P754-E757 HydrophobicContact CB-CG 4.25Å; P754-E757 HydrophobicContact CG-CG 4.23Å; P754-E757 PolarHBondContact O-N 3.33Å; E757-C759 VanDerWaalsContact C-N 3.26Å; E757-C759 PolarHBondContact O-N 3.41Å; E757-T760 VanDerWaalsContact O-CG2 3.25Å; E757-T760 WeakPolarHBondContact O-CG2 3.48Å
758	V	97	Very high	96.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.255	C	S	.	.	S	Bend	trans	-63	-30.9	-178.6	179	0	0	0	0	112.5	L664 L715 V718 Y733 W742 V753 E755 T760	L664-V758 HydrophobicContact CD2-CB 4.14Å; L664-V758 HydrophobicContact CD2-CG1 4.41Å; L664-V758 HydrophobicContact CD2-CG2 4.23Å; L715-V758 HydrophobicContact CD2-CG1 4.24Å; V718-V758 HydrophobicContact CG2-CG1 4.09Å; Y733-V758 HydrophobicContact CD2-CG1 4.35Å; W742-V758 HydrophobicContact CB-CG2 4.26Å; W742-V758 HydrophobicContact CD2-CG1 4.49Å; W742-V758 HydrophobicContact CD2-CG2 3.78Å; W742-V758 HydrophobicContact CE3-CG1 4.09Å; W742-V758 HydrophobicContact CE3-CG2 3.97Å; W742-V758 HydrophobicContact CG-CG2 3.93Å; W742-V758 HydrophobicContact CH2-CG1 4.24Å; W742-V758 HydrophobicContact CZ3-CG1 3.96Å; V753-V758 HydrophobicContact CG1-CG2 4.01Å; E755-V758 PolarHBondContact O-N 3.29Å; V758-T760 PolarHBondContact O-N 2.9Å
759	C	96.6	Very high	96.8	Very high	37 Å²	37	42.9 Å²	42.9	25%	0.25	23%	0.232	C	C	.	.	S	Bend	trans	-82.8	68.5	-174.4	-175	0	0	0	0	113.1	L659 F662 E757	L659-C759 WeakPolarHBondContact CD1-O 3.29Å; F662-C759 HydrophobicContact CZ-CB 4.35Å; E757-C759 VanDerWaalsContact C-N 3.26Å; E757-C759 PolarHBondContact O-N 3.41Å
760	T	94.4	Very high	96.7	Very high	27 Å²	27	41.9 Å²	41.9	17%	0.166	22%	0.218	C	C	.	.			trans	-90.5	162.3	-174.4	84.8	0	0	0	0	115.3	N720 Y733 E757 V758 G762 A763	N720-T760 PolarHBondContact OD1-OG1 3.09Å; Y733-T760 HydrophobicContact CE2-CG2 3.61Å; E757-T760 VanDerWaalsContact O-CG2 3.25Å; E757-T760 WeakPolarHBondContact O-CG2 3.48Å; V758-T760 PolarHBondContact O-N 2.9Å; T760-G762 PolarHBondContact O-N 3.46Å; T760-G762 WeakPolarHBondContact OG1-CA 3.38Å; T760-G762 PolarHBondContact OG1-N 3.15Å; T760-A763 WeakPolarHBondContact O-CB 3.24Å; T760-A763 PolarHBondContact O-N 2.96Å; T760-A763 PolarHBondContact OG1-N 3.26Å
761	K	92.8	Very high	96.4	Very high	106 Å²	106	43.2 Å²	43.2	46%	0.461	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-16.3	164.9	-68.7	-176.9	-177.2	-172.7	0	113.6	H592 R645 L659	H592-K761 PolarHBondContact CE1-NZ 2.75Å; H592-K761 WeakPolarHBondContact ND1-CE 3.42Å; H592-K761 PolarHBondContact ND1-NZ 3.45Å; R645-K761 PolarHBondContact NH2-O 2.71Å; L659-K761 HydrophobicContact CB-CG 3.84Å; L659-K761 HydrophobicContact CD1-CG 4.01Å; L659-K761 HydrophobicContact CG-CG 4.48Å
762	G	94.8	Very high	95.9	Very high	8 Å²	8	42.1 Å²	42.1	8%	0.082	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-23.8	176.8	0	0	0	0	0	113.4	N720 H721 T760 Y764	N720-G762 CarbonylContact C-O 3.55Å; N720-G762 WeakPolarHBondContact CA-O 3.43Å; H721-G762 PolarHBondContact N-O 3.01Å; T760-G762 PolarHBondContact O-N 3.46Å; T760-G762 WeakPolarHBondContact OG1-CA 3.38Å; T760-G762 PolarHBondContact OG1-N 3.15Å; G762-Y764 PolarHBondContact O-N 3.22Å
763	A	97.8	Very high	95.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	123.5	-175.2	0	0	0	0	0	111.9	R645 F662 V718 N720 T760 L766	R645-A763 VanDerWaalsContact CZ-O 3.27Å; R645-A763 PolarHBondContact NE-O 3.32Å; R645-A763 PolarHBondContact NH2-O 3.29Å; F662-A763 HydrophobicContact CE1-CB 3.54Å; F662-A763 HydrophobicContact CZ-CB 3.92Å; V718-A763 HydrophobicContact CG1-CB 3.65Å; N720-A763 WeakPolarHBondContact OD1-CA 3.33Å; N720-A763 PolarHBondContact OD1-N 3.3Å; T760-A763 WeakPolarHBondContact O-CB 3.24Å; T760-A763 PolarHBondContact O-N 2.96Å; T760-A763 PolarHBondContact OG1-N 3.26Å; A763-L766 HydrophobicContact CB-CD2 4.17Å
764	Y	98	Very high	95.3	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	-42.7	-168	178.2	-121.8	0	0	0	112.9	D220 A221 H642 L643 R645 F646 C719 H721 Y730 G762	D220-Y764 WeakPolarHBondContact OD1-CE1 3.45Å; D220-Y764 PolarHBondContact OD1-OH 2.7Å; D220-Y764 VanDerWaalsContact OD1-OH 3.04Å; D220-Y764 PolarHBondContact OD2-OH 3.02Å; D220-Y764 VanDerWaalsContact OD2-OH 3.13Å; A221-Y764 HydrophobicContact CB-CE1 4.47Å; H642-Y764 AromaticContact CD2-CE2 3.36Å; H642-Y764 WeakPolarHBondContact CD2-CE2 3.48Å; H642-Y764 AromaticContact CD2-CZ 3.52Å; H642-Y764 PolarHBondContact CD2-OH 3.19Å; H642-Y764 AromaticContact NE2-CE2 3.23Å; H642-Y764 WeakPolarHBondContact NE2-CE2 3.19Å; H642-Y764 AromaticContact NE2-CZ 3.4Å; H642-Y764 PolarHBondContact NE2-OH 3.21Å; L643-Y764 PolarHBondContact N-O 3.33Å; L643-Y764 WeakPolarHBondContact O-CE2 3.36Å; R645-Y764 HydrophobicContact CB-CD2 4.41Å; R645-Y764 HydrophobicContact CG-CD2 4.37Å; F646-Y764 HydrophobicContact CD2-CE2 4.15Å; F646-Y764 HydrophobicContact CE2-CE1 4.37Å; F646-Y764 AromaticContact CE2-CE2 3.95Å; F646-Y764 HydrophobicContact CE2-CE2 3.95Å; F646-Y764 AromaticContact CE2-CZ 3.75Å; C719-Y764 WeakPolarHBondContact O-CA 3.43Å; C719-Y764 WeakPolarHBondContact O-CB 3.49Å; C719-Y764 PolarHBondContact O-N 3.09Å; H721-Y764 HydrophobicContact CB-CD1 4.41Å; H721-Y764 HydrophobicContact CB-CG 4.25Å; Y730-Y764 AromaticContact CE1-CD1 3.85Å; Y730-Y764 HydrophobicContact CE1-CD1 3.85Å; Y730-Y764 HydrophobicContact CE1-CE1 4.17Å; G762-Y764 PolarHBondContact O-N 3.22Å
765	I	98.7	Very high	94.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	128.1	169.4	-45.8	174.2	0	0	0	108.1	A221 L222 L225 I640 L641 V718 C719 F767	A221-I765 HydrophobicContact CB-CD1 4.23Å; L222-I765 HydrophobicContact CB-CD1 4Å; L222-I765 HydrophobicContact CD1-CD1 4.22Å; L225-I765 HydrophobicContact CD2-CD1 3.98Å; L225-I765 HydrophobicContact CD2-CG2 4.16Å; I640-I765 HydrophobicContact CG2-CG2 3.48Å; I640-I765 VanDerWaalsContact CG2-CG2 3.48Å; L641-I765 CarbonylContact O-C 2.83Å; L641-I765 WeakPolarHBondContact O-CA 3.33Å; V718-I765 CarbonylContact C-O 3.58Å; V718-I765 WeakPolarHBondContact CA-O 3.47Å; C719-I765 HydrophobicContact CB-CB 4Å; C719-I765 HydrophobicContact CB-CG1 4.37Å; C719-I765 PolarHBondContact N-O 3.12Å; C719-I765 PolarHBondContact O-N 3.03Å; C719-I765 VanDerWaalsContact O-N 3.1Å; I765-F767 HydrophobicContact CB-CE2 4.08Å; I765-F767 HydrophobicContact CG2-CD2 4.33Å; I765-F767 HydrophobicContact CG2-CE2 3.76Å; I765-F767 HydrophobicContact CG2-CZ 4.04Å
766	L	98.8	Very high	94.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	137	176.5	-46.8	177.4	0	0	0	109.1	L596 L641 F662 L715 V718 A763 Y768	L596-L766 HydrophobicContact CD1-CD1 4.15Å; L596-L766 HydrophobicContact CD2-CD1 4.2Å; L641-L766 HydrophobicContact CB-CB 4.28Å; L641-L766 PolarHBondContact N-O 3.03Å; L641-L766 PolarHBondContact O-N 3.18Å; F662-L766 HydrophobicContact CB-CD1 3.78Å; F662-L766 HydrophobicContact CD1-CD1 3.82Å; F662-L766 HydrophobicContact CD1-CD2 3.87Å; F662-L766 HydrophobicContact CD2-CD1 4.28Å; F662-L766 HydrophobicContact CD2-CD2 4.21Å; F662-L766 HydrophobicContact CE1-CD2 3.71Å; F662-L766 HydrophobicContact CE2-CD2 4.05Å; F662-L766 HydrophobicContact CG-CD1 3.69Å; F662-L766 HydrophobicContact CG-CD2 4.12Å; F662-L766 HydrophobicContact CZ-CD2 3.79Å; L715-L766 HydrophobicContact CD1-CB 3.94Å; V718-L766 HydrophobicContact CG1-CD2 4.01Å; V718-L766 HydrophobicContact CG2-CD2 3.99Å; A763-L766 HydrophobicContact CB-CD2 4.17Å; L766-Y768 HydrophobicContact CB-CD2 4.1Å; L766-Y768 HydrophobicContact CB-CE2 3.73Å; L766-Y768 HydrophobicContact CD1-CE2 4.01Å
767	F	98.8	Very high	94.1	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	118.3	178.1	-64.6	-102.8	0	0	0	109.6	C137 L225 I640 Y716 A717 C719 I765	C137-F767 HydrophobicContact CB-CD1 4.39Å; C137-F767 HydrophobicContact CB-CD2 3.82Å; C137-F767 HydrophobicContact CB-CE1 4.08Å; C137-F767 HydrophobicContact CB-CE2 3.48Å; C137-F767 VanDerWaalsContact CB-CE2 3.48Å; C137-F767 HydrophobicContact CB-CG 4.27Å; C137-F767 HydrophobicContact CB-CZ 3.61Å; L225-F767 HydrophobicContact CD1-CE1 4.09Å; L225-F767 HydrophobicContact CD1-CZ 4.16Å; L225-F767 HydrophobicContact CD2-CE1 4Å; L225-F767 HydrophobicContact CD2-CZ 3.64Å; I640-F767 HydrophobicContact CD1-CD1 4.43Å; I640-F767 HydrophobicContact CD1-CE1 4.09Å; I640-F767 HydrophobicContact CG1-CD1 4.01Å; I640-F767 HydrophobicContact CG1-CE1 4.11Å; I640-F767 HydrophobicContact CG2-CE1 4.37Å; Y716-F767 HydrophobicContact CD1-CB 4.45Å; Y716-F767 WeakPolarHBondContact CD1-O 3.18Å; Y716-F767 HydrophobicContact CE1-CB 3.84Å; Y716-F767 HydrophobicContact CE2-CB 4Å; Y716-F767 PolarHBondContact N-O 3.45Å; A717-F767 HydrophobicContact CB-CB 4Å; A717-F767 HydrophobicContact CB-CD2 4.14Å; A717-F767 HydrophobicContact CB-CG 4.28Å; A717-F767 PolarHBondContact N-O 3.01Å; A717-F767 PolarHBondContact O-N 3.13Å; C719-F767 HydrophobicContact CB-CE2 4.35Å; I765-F767 HydrophobicContact CB-CE2 4.08Å; I765-F767 HydrophobicContact CG2-CD2 4.33Å; I765-F767 HydrophobicContact CG2-CE2 3.76Å; I765-F767 HydrophobicContact CG2-CZ 4.04Å
768	Y	98.4	Very high	93.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.1	-176.5	-81.1	-86.2	0	0	0	110.6	L596 I638 L639 L641 P663 L667 D714 L715 L766	L596-Y768 HydrophobicContact CD2-CE2 4.28Å; I638-Y768 CarbonylContact C-O 3.52Å; I638-Y768 WeakPolarHBondContact CA-O 3.36Å; L639-Y768 PolarHBondContact N-O 3.33Å; L639-Y768 PolarHBondContact O-N 3.26Å; L641-Y768 HydrophobicContact CD1-CD2 3.93Å; L641-Y768 HydrophobicContact CD1-CE2 3.88Å; L641-Y768 HydrophobicContact CG-CD2 4.38Å; P663-Y768 WeakPolarHBondContact O-CE1 3.43Å; P663-Y768 PolarHBondContact O-OH 3.06Å; L667-Y768 HydrophobicContact CB-CD1 4.12Å; L667-Y768 HydrophobicContact CB-CE1 3.71Å; L667-Y768 HydrophobicContact CD2-CD1 3.86Å; L667-Y768 HydrophobicContact CD2-CD2 4.03Å; L667-Y768 HydrophobicContact CD2-CE1 3.64Å; L667-Y768 HydrophobicContact CD2-CE2 3.81Å; L667-Y768 HydrophobicContact CD2-CG 4.05Å; L667-Y768 HydrophobicContact CG-CE1 4.3Å; D714-Y768 CarbonylContact O-C 3.51Å; D714-Y768 WeakPolarHBondContact O-CA 3.32Å; L715-Y768 HydrophobicContact CB-CD1 4.03Å; L715-Y768 HydrophobicContact CB-CE1 3.67Å; L715-Y768 HydrophobicContact CD1-CD1 4.26Å; L715-Y768 HydrophobicContact CD1-CD2 3.85Å; L715-Y768 HydrophobicContact CD1-CE1 3.93Å; L715-Y768 HydrophobicContact CD1-CE2 3.48Å; L715-Y768 VanDerWaalsContact CD1-CE2 3.48Å; L715-Y768 HydrophobicContact CD1-CG 4.22Å; L715-Y768 HydrophobicContact CG-CE1 4.41Å; L766-Y768 HydrophobicContact CB-CD2 4.1Å; L766-Y768 HydrophobicContact CB-CE2 3.73Å; L766-Y768 HydrophobicContact CD1-CE2 4.01Å
769	Q	96.6	Very high	93.2	Very high	5 Å²	5	26.7 Å²	26.7	2%	0.023	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.7	173.8	-178.1	163.4	2.6	0	0	110.1	I638 Y713 D714 Y716 R771 V773 I774	I638-Q769 HydrophobicContact CD1-CB 3.92Å; I638-Q769 HydrophobicContact CD1-CG 3.7Å; Y713-Q769 WeakPolarHBondContact CA-O 3.45Å; D714-Q769 PolarHBondContact N-O 3.26Å; D714-Q769 PolarHBondContact O-N 3.41Å; Y716-Q769 HydrophobicContact CD1-CB 3.82Å; Y716-Q769 HydrophobicContact CE1-CB 3.96Å; Q769-R771 PolarHBondContact O-N 3.32Å; Q769-V773 PolarHBondContact NE2-O 3.42Å; Q769-I774 HydrophobicContact CB-CG1 4.41Å; Q769-I774 HydrophobicContact CG-CG1 3.86Å
770	R	95.3	Very high	92.6	Very high	44 Å²	44	25.6 Å²	25.6	17%	0.166	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	125.7	178.9	-164.8	177.6	69	-138.7	-8.9	109.1	D637 D710 Y713 N772 V773 I774	D637-R770 PolarHBondContact O-N 2.59Å; D637-R770 IonicContact OD1-CZ 3.11Å; D637-R770 IonicContact OD1-NH1 3.19Å; D637-R770 PolarHBondContact OD1-NH1 3.18Å; D637-R770 IonicContact OD1-NH2 2.8Å; D637-R770 PolarHBondContact OD1-NH2 2.9Å; D637-R770 IonicContact OD2-CZ 2.7Å; D637-R770 IonicContact OD2-NH2 2.71Å; D637-R770 PolarHBondContact OD2-NH2 3.03Å; D637-R770 VanDerWaalsContact OD2-NH2 3.09Å; D710-R770 VanDerWaalsContact O-CD 3.3Å; D710-R770 WeakPolarHBondContact O-CD 3.45Å; Y713-R770 HydrophobicContact CD1-CB 4.06Å; Y713-R770 HydrophobicContact CE1-CB 3.52Å; Y713-R770 HydrophobicContact CE1-CG 4.08Å; Y713-R770 HydrophobicContact CE2-CB 4.35Å; Y713-R770 HydrophobicContact CE2-CG 3.99Å; Y713-R770 WeakPolarHBondContact OH-CD 3.39Å; R770-N772 WeakPolarHBondContact CD-OD1 3.43Å; R770-N772 WeakPolarHBondContact CG-OD1 3.27Å; R770-N772 PolarHBondContact NE-OD1 3.44Å; R770-N772 PolarHBondContact O-N 2.72Å; R770-N772 VanDerWaalsContact O-N 3.09Å; R770-V773 HydrophobicContact CB-CG2 4.05Å; R770-V773 PolarHBondContact O-N 3.31Å; R770-I774 PolarHBondContact O-N 2.99Å
771	R	90.9	Very high	91.9	Very high	68 Å²	68	25.7 Å²	25.7	26%	0.257	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-57.8	-32	-166.1	-178.2	174.8	-76	-170.4	-7.3	114.2	L712 D714 Q769 V773	L712-R771 HydrophobicContact CB-CB 4.31Å; L712-R771 PolarHBondContact O-N 3Å; D714-R771 IonicContact OD1-CZ 3.6Å; D714-R771 IonicContact OD1-NE 3.28Å; D714-R771 IonicContact OD1-NH2 2.7Å; D714-R771 PolarHBondContact OD1-NH2 3.27Å; D714-R771 WeakPolarHBondContact OD2-CG 3.46Å; D714-R771 IonicContact OD2-CZ 3.21Å; D714-R771 IonicContact OD2-NE 2.95Å; D714-R771 PolarHBondContact OD2-NE 3.14Å; D714-R771 IonicContact OD2-NH2 2.98Å; D714-R771 PolarHBondContact OD2-NH2 3.31Å; Q769-R771 PolarHBondContact O-N 3.32Å; R771-V773 VanDerWaalsContact C-N 3.28Å; R771-V773 PolarHBondContact O-N 3.26Å
772	N	88.9	Confident	90.1	Very high	78 Å²	78	25 Å²	25	42%	0.417	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-79.2	-3.1	177.5	67.2	-7.6	0	0	0	114.6	D710 R770	D710-N772 PolarHBondContact OD1-ND2 2.94Å; R770-N772 WeakPolarHBondContact CD-OD1 3.43Å; R770-N772 WeakPolarHBondContact CG-OD1 3.27Å; R770-N772 PolarHBondContact NE-OD1 3.44Å; R770-N772 PolarHBondContact O-N 2.72Å; R770-N772 VanDerWaalsContact O-N 3.09Å
773	V	91	Very high	88.2	Confident	30 Å²	30	27.3 Å²	27.3	18%	0.182	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-117.4	7.4	176.9	-149.4	0	0	0	0	112.1	L143 D637 Q769 R770 R771 P775	L143-V773 HydrophobicContact CD1-CG1 3.81Å; D637-V773 HydrophobicContact CB-CG1 4.44Å; D637-V773 HydrophobicContact CB-CG2 4.22Å; D637-V773 WeakPolarHBondContact OD2-CG1 3.34Å; D637-V773 WeakPolarHBondContact OD2-CG2 3.43Å; Q769-V773 PolarHBondContact NE2-O 3.42Å; R770-V773 HydrophobicContact CB-CG2 4.05Å; R770-V773 PolarHBondContact O-N 3.31Å; R771-V773 VanDerWaalsContact C-N 3.28Å; R771-V773 PolarHBondContact O-N 3.26Å; V773-P775 VanDerWaalsContact O-CD 3.32Å; V773-P775 WeakPolarHBondContact O-CD 3.26Å
774	I	90.4	Very high	86	Confident	12 Å²	12	36.3 Å²	36.3	6%	0.062	19%	0.193	C	C	.	.	S	Bend	trans	-69.6	117.5	168.8	-61.1	174.8	0	0	0	107.3	D714 Q769 R770	D714-I774 HydrophobicContact CB-CD1 4.18Å; Q769-I774 HydrophobicContact CB-CG1 4.41Å; Q769-I774 HydrophobicContact CG-CG1 3.86Å; R770-I774 PolarHBondContact O-N 2.99Å
775	P	89.7	Confident	83.4	Confident	12 Å²	12	39.7 Å²	39.7	8%	0.078	23%	0.228	C	C	.	.			trans	-57.3	141	-174.1	-27.8	36.9	0	0	0	112	D142 L143 V773 W777 S778 S781	D142-P775 HydrophobicContact CB-CG 4.13Å; L143-P775 HydrophobicContact CD2-CG 3.74Å; V773-P775 VanDerWaalsContact O-CD 3.32Å; V773-P775 WeakPolarHBondContact O-CD 3.26Å; P775-W777 HydrophobicContact CB-CD2 3.78Å; P775-W777 HydrophobicContact CB-CE3 4.48Å; P775-W777 HydrophobicContact CB-CG 4.03Å; P775-W777 HydrophobicContact CB-CH2 4.47Å; P775-W777 HydrophobicContact CB-CZ2 3.8Å; P775-W777 HydrophobicContact CG-CH2 4.27Å; P775-W777 HydrophobicContact CG-CZ2 3.73Å; P775-W777 PolarHBondContact O-N 3.25Å; P775-S778 WeakPolarHBondContact O-CB 3.46Å; P775-S778 PolarHBondContact O-N 3.48Å; P775-S781 WeakPolarHBondContact O-CB 3.48Å
776	P	85.6	Confident	80.5	Confident	80 Å²	80	43 Å²	43	52%	0.519	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-24.2	178.7	-27.1	35.4	0	0	0	113.9	S778 S790	P776-S778 VanDerWaalsContact C-N 3.32Å; P776-S790 VanDerWaalsContact C-OG 3.22Å; P776-S790 VanDerWaalsContact O-CB 3.24Å; P776-S790 WeakPolarHBondContact O-CB 3.49Å; P776-S790 PolarHBondContact O-OG 2.91Å
777	W	85.6	Confident	77.4	Confident	18 Å²	18	51.8 Å²	51.8	7%	0.068	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-12.7	177.3	58.7	-115.3	0	0	0	114.3	D142 E146 P775 S792 H794 W795	D142-W777 HydrophobicContact CB-CH2 3.61Å; D142-W777 HydrophobicContact CB-CZ2 4.3Å; D142-W777 HydrophobicContact CB-CZ3 4.31Å; E146-W777 HydrophobicContact CB-CZ2 4.2Å; E146-W777 WeakPolarHBondContact OE2-CZ2 3.17Å; E146-W777 PolarHBondContact OE2-NE1 2.91Å; P775-W777 HydrophobicContact CB-CD2 3.78Å; P775-W777 HydrophobicContact CB-CE3 4.48Å; P775-W777 HydrophobicContact CB-CG 4.03Å; P775-W777 HydrophobicContact CB-CH2 4.47Å; P775-W777 HydrophobicContact CB-CZ2 3.8Å; P775-W777 HydrophobicContact CG-CH2 4.27Å; P775-W777 HydrophobicContact CG-CZ2 3.73Å; P775-W777 PolarHBondContact O-N 3.25Å; W777-S792 VanDerWaalsContact CB-O 3.29Å; W777-S792 WeakPolarHBondContact CB-O 3.2Å; W777-H794 AromaticContact CE3-CD2 3.33Å; W777-H794 AromaticContact CE3-NE2 3.89Å; W777-H794 AromaticContact CZ3-CD2 3.58Å; W777-H794 AromaticContact CZ3-NE2 3.61Å; W777-W795 AromaticContact CH2-CD1 3.43Å; W777-W795 VanDerWaalsContact CH2-CD1 3.43Å; W777-W795 AromaticContact CH2-NE1 3.96Å; W777-W795 AromaticContact CZ2-CD1 3.64Å; W777-W795 HydrophobicContact CZ2-CG 4.47Å; W777-W795 AromaticContact CZ3-CD1 3.85Å
778	S	88.3	Confident	74.6	Confident	5 Å²	5	56.4 Å²	56.4	4%	0.035	33%	0.329	C	S	.	.	S	Bend	trans	-84.3	136.8	-177.1	178.6	0	0	0	0	111.2	D142 S737 P775 P776 S780 S781	D142-S778 WeakPolarHBondContact OD2-CB 3.37Å; D142-S778 PolarHBondContact OD2-OG 3.02Å; S737-S778 VanDerWaalsContact CB-OG 3.26Å; S737-S778 WeakPolarHBondContact CB-OG 3.42Å; P775-S778 WeakPolarHBondContact O-CB 3.46Å; P775-S778 PolarHBondContact O-N 3.48Å; P776-S778 VanDerWaalsContact C-N 3.32Å; S778-S780 PolarHBondContact O-N 2.78Å; S778-S780 VanDerWaalsContact O-N 3.13Å; S778-S780 PolarHBondContact OG-N 3.09Å; S778-S781 WeakPolarHBondContact O-CB 3.44Å; S778-S781 PolarHBondContact O-N 3.24Å
779	A	86	Confident	71.9	Confident	29 Å²	29	61.1 Å²	61.1	24%	0.24	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-53.7	-32.3	173.7	0	0	0	0	0	112.3	S737 S781 S782	S737-A779 WeakPolarHBondContact O-CB 3.2Å; S737-A779 PolarHBondContact O-N 3.41Å; A779-S781 PolarHBondContact O-N 2.82Å; A779-S782 WeakPolarHBondContact O-CB 3.43Å; A779-S782 PolarHBondContact O-N 2.79Å; A779-S782 PolarHBondContact O-OG 2.87Å
780	S	83.7	Confident	69.4	Low	14 Å²	14	63.7 Å²	63.7	10%	0.098	38%	0.38	C	S	.	.	G	3₁₀ helix	trans	-62.2	-21.4	175.7	-58.6	0	0	0	0	113.8	S778 S782 V783	S778-S780 PolarHBondContact O-N 2.78Å; S778-S780 VanDerWaalsContact O-N 3.13Å; S778-S780 PolarHBondContact OG-N 3.09Å; S780-S782 VanDerWaalsContact C-N 3.27Å; S780-S782 PolarHBondContact O-N 3.5Å; S780-V783 WeakPolarHBondContact O-CG2 3.4Å
781	S	79.8	Confident	67.3	Low	30 Å²	30	68.2 Å²	68.2	21%	0.21	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-70.9	-22.1	179.4	-149.8	0	0	0	0	112.8	P775 S778 A779 V783 R784	P775-S781 WeakPolarHBondContact O-CB 3.48Å; S778-S781 WeakPolarHBondContact O-CB 3.44Å; S778-S781 PolarHBondContact O-N 3.24Å; A779-S781 PolarHBondContact O-N 2.82Å; S781-V783 PolarHBondContact O-N 2.87Å; S781-V783 VanDerWaalsContact O-N 3.12Å; S781-R784 WeakPolarHBondContact O-CB 3.35Å; S781-R784 PolarHBondContact O-N 3.46Å; S781-R784 VanDerWaalsContact O-N 3.14Å
782	S	56.1	Low	66	Low	90 Å²	90	67.1 Å²	67.1	63%	0.629	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-60.4	-22.1	-179.7	62.9	0	0	0	0	114.4	A779 S780 R784 G785	A779-S782 WeakPolarHBondContact O-CB 3.43Å; A779-S782 PolarHBondContact O-N 2.79Å; A779-S782 PolarHBondContact O-OG 2.87Å; S780-S782 VanDerWaalsContact C-N 3.27Å; S780-S782 PolarHBondContact O-N 3.5Å; S782-R784 PolarHBondContact O-N 2.93Å; S782-G785 PolarHBondContact O-N 3.49Å
783	V	54.9	Low	65.6	Low	58 Å²	58	66 Å²	66	35%	0.352	41%	0.409	S	S	.	.	G	3₁₀ helix	trans	-61.4	-11	175.8	-174.1	0	0	0	0	112.5	S780 S781 G785	S780-V783 WeakPolarHBondContact O-CG2 3.4Å; S781-V783 PolarHBondContact O-N 2.87Å; S781-V783 VanDerWaalsContact O-N 3.12Å; V783-G785 PolarHBondContact O-N 3.11Å; V783-G785 VanDerWaalsContact O-N 3.15Å
784	R	50.8	Low	65.5	Low	188 Å²	188	64.5 Å²	64.5	71%	0.709	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	-69.5	1.9	173.2	-153.6	-176.4	-177	-168.4	0.5	114.7	S781 S782 S786	S781-R784 WeakPolarHBondContact O-CB 3.35Å; S781-R784 PolarHBondContact O-N 3.46Å; S781-R784 VanDerWaalsContact O-N 3.14Å; S782-R784 PolarHBondContact O-N 2.93Å; R784-S786 PolarHBondContact O-N 3.14Å; R784-S786 VanDerWaalsContact O-N 3.09Å; R784-S786 PolarHBondContact O-OG 2.92Å; R784-S786 VanDerWaalsContact O-OG 3.05Å
785	G	43.3	Very low	65.5	Low	73 Å²	73	64 Å²	64	75%	0.753	40%	0.397	S	S	*	.			trans	61.1	22.1	178.6	0	0	0	0	0	113.9	S782 V783	S782-G785 PolarHBondContact O-N 3.49Å; V783-G785 PolarHBondContact O-N 3.11Å; V783-G785 VanDerWaalsContact O-N 3.15Å
786	S	37.3	Very low	65.5	Low	69 Å²	69	63.4 Å²	63.4	48%	0.483	39%	0.394	S	S	.	.			trans	-103.3	109.6	-170.4	-61.6	0	0	0	0	110.1	R784 S788	R784-S786 PolarHBondContact O-N 3.14Å; R784-S786 VanDerWaalsContact O-N 3.09Å; R784-S786 PolarHBondContact O-OG 2.92Å; R784-S786 VanDerWaalsContact O-OG 3.05Å; S786-S788 PolarHBondContact O-N 3.23Å
787	I	34.7	Very low	65.5	Low	184 Å²	184	60.4 Å²	60.4	94%	0.944	37%	0.373	S	S	*	.			trans	-70.5	18.6	177.9	43.7	171.7	0	0	0	114.6
788	S	38.4	Very low	65.7	Low	97 Å²	97	64.2 Å²	64.2	68%	0.678	39%	0.388	S	S	*	.	S	Bend	trans	-93.4	119.7	176.5	-170.7	0	0	0	0	110.2	S786 S790	S786-S788 PolarHBondContact O-N 3.23Å; S788-S790 PolarHBondContact O-N 2.79Å
789	S	42.7	Very low	65.5	Low	100 Å²	100	66.5 Å²	66.5	70%	0.699	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-57.6	125.9	173.4	52.9	0	0	0	0	110.5	V791	S789-V791 PolarHBondContact O-N 2.97Å
790	S	44	Very low	64.9	Low	59 Å²	59	68.4 Å²	68.4	41%	0.413	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-60.7	122.1	-177.5	-171.8	0	0	0	0	112	P776 S788 S792	P776-S790 VanDerWaalsContact C-OG 3.22Å; P776-S790 VanDerWaalsContact O-CB 3.24Å; P776-S790 WeakPolarHBondContact O-CB 3.49Å; P776-S790 PolarHBondContact O-OG 2.91Å; S788-S790 PolarHBondContact O-N 2.79Å; S790-S792 PolarHBondContact O-N 3.11Å
791	V	51.2	Low	63.8	Low	139 Å²	139	70.4 Å²	70.4	84%	0.842	43%	0.431	S	S	*	.			trans	-80.1	8.8	177.9	-60.6	0	0	0	0	113.1	S789	S789-V791 PolarHBondContact O-N 2.97Å
792	S	64	Low	62.1	Low	44 Å²	44	77.6 Å²	77.6	31%	0.308	46%	0.461	S	S	.	.	S	Bend	trans	-117.4	123.5	-173.9	-66.4	0	0	0	0	112.1	W777 S790	W777-S792 VanDerWaalsContact CB-O 3.29Å; W777-S792 WeakPolarHBondContact CB-O 3.2Å; S790-S792 PolarHBondContact O-N 3.11Å
793	D	81	Confident	61.4	Low	54 Å²	54	79 Å²	79	29%	0.289	47%	0.471	S	S	.	.			trans	-71	131.3	175.1	-81.8	2.5	0	0	0	112	R107 W795 I797 R798	R107-D793 IonicContact CZ-OD1 3.97Å; R107-D793 IonicContact CZ-OD2 2.71Å; R107-D793 IonicContact NH1-OD1 2.76Å; R107-D793 PolarHBondContact NH1-OD1 3.11Å; R107-D793 IonicContact NH1-OD2 2.74Å; R107-D793 PolarHBondContact NH1-OD2 2.8Å; R107-D793 IonicContact NH2-OD1 3.23Å; R107-D793 IonicContact NH2-OD2 3.58Å; R107-D793 PolarHBondContact NH2-OD2 3.24Å; D793-W795 PolarHBondContact O-N 3.4Å; D793-I797 HydrophobicContact CB-CB 4.29Å; D793-I797 HydrophobicContact CB-CG2 4.35Å; D793-R798 HydrophobicContact CB-CG 4.21Å; D793-R798 PolarHBondContact O-NE 2.99Å; D793-R798 PolarHBondContact O-NH2 3.14Å
794	H	88.8	Confident	60.8	Low	0 Å²	0	85.7 Å²	85.7	0%	0	50%	0.496	C	S	.	.			trans	-49.4	137.1	169.9	-173.8	-84.9	0	0	0	110.3	V104 V738 W777 L796 I797 R798	V104-H794 HydrophobicContact CG1-CB 3.8Å; V738-H794 WeakPolarHBondContact CG2-NE2 3.5Å; W777-H794 AromaticContact CE3-CD2 3.33Å; W777-H794 AromaticContact CE3-NE2 3.89Å; W777-H794 AromaticContact CZ3-CD2 3.58Å; W777-H794 AromaticContact CZ3-NE2 3.61Å; H794-L796 VanDerWaalsContact ND1-CB 3.32Å; H794-L796 WeakPolarHBondContact ND1-CB 3.48Å; H794-L796 PolarHBondContact ND1-N 3.34Å; H794-L796 PolarHBondContact O-N 2.83Å; H794-I797 HydrophobicContact CB-CD1 4.42Å; H794-I797 HydrophobicContact CB-CG1 4.45Å; H794-I797 WeakPolarHBondContact O-CB 3.28Å; H794-I797 PolarHBondContact O-N 3Å; H794-R798 PolarHBondContact O-N 3.31Å
795	W	90.4	Very high	60.1	Low	0 Å²	0	88.4 Å²	88.4	0%	0	51%	0.506	C	S	.	.	H	α-helix	trans	-55.3	-31.7	-171	67.8	-90.5	0	0	0	113.5	A145 E146 L150 W190 W777 D793 I797 R798 L799	A145-W795 HydrophobicContact CB-CZ2 4.23Å; E146-W795 HydrophobicContact CB-CB 4.03Å; E146-W795 HydrophobicContact CB-CG 4.03Å; E146-W795 HydrophobicContact CG-CB 3.76Å; E146-W795 HydrophobicContact CG-CG 4.29Å; L150-W795 HydrophobicContact CD1-CB 4.36Å; L150-W795 HydrophobicContact CD2-CE3 4.28Å; L150-W795 HydrophobicContact CG-CB 4.43Å; L150-W795 HydrophobicContact CG-CE3 4.42Å; W190-W795 HydrophobicContact CB-CH2 3.59Å; W190-W795 HydrophobicContact CB-CZ2 3.77Å; W190-W795 AromaticContact CD1-CZ2 3.81Å; W190-W795 AromaticContact CD2-CZ2 3.8Å; W190-W795 HydrophobicContact CD2-CZ2 3.8Å; W190-W795 HydrophobicContact CE3-CZ2 4.36Å; W190-W795 AromaticContact CG-CH2 3.83Å; W190-W795 HydrophobicContact CG-CH2 3.83Å; W190-W795 AromaticContact CG-CZ2 3.52Å; W190-W795 HydrophobicContact CG-CZ2 3.52Å; W777-W795 AromaticContact CH2-CD1 3.43Å; W777-W795 VanDerWaalsContact CH2-CD1 3.43Å; W777-W795 AromaticContact CH2-NE1 3.96Å; W777-W795 AromaticContact CZ2-CD1 3.64Å; W777-W795 HydrophobicContact CZ2-CG 4.47Å; W777-W795 AromaticContact CZ3-CD1 3.85Å; D793-W795 PolarHBondContact O-N 3.4Å; W795-I797 VanDerWaalsContact C-N 3.33Å; W795-I797 PolarHBondContact O-N 3.09Å; W795-R798 WeakPolarHBondContact O-CB 3.39Å; W795-R798 PolarHBondContact O-N 3.21Å; W795-R798 VanDerWaalsContact O-N 3.14Å; W795-L799 HydrophobicContact CZ3-CD2 4.25Å; W795-L799 PolarHBondContact O-N 3.23Å
796	L	89.4	Confident	59.9	Low	0 Å²	0	88.8 Å²	88.8	0%	0	51%	0.51	C	S	.	.	H	α-helix	trans	-62.9	-34.1	175.2	-167	63.6	0	0	0	113.4	L108 Y112 P117 W190 T191 H794 L799 T800	L108-L796 HydrophobicContact CD2-CB 4.24Å; L108-L796 HydrophobicContact CD2-CD2 3.99Å; L108-L796 HydrophobicContact CD2-CG 4.21Å; Y112-L796 HydrophobicContact CD2-CD2 4.14Å; Y112-L796 HydrophobicContact CE2-CD1 4.43Å; Y112-L796 HydrophobicContact CE2-CD2 3.53Å; Y112-L796 HydrophobicContact CE2-CG 3.72Å; Y112-L796 WeakPolarHBondContact OH-CD1 3.13Å; P117-L796 HydrophobicContact CB-CD2 3.42Å; P117-L796 VanDerWaalsContact CB-CD2 3.42Å; P117-L796 HydrophobicContact CG-CD2 3.72Å; W190-L796 HydrophobicContact CB-CD1 4.41Å; W190-L796 WeakPolarHBondContact O-CD2 3.25Å; T191-L796 HydrophobicContact CG2-CD1 3.94Å; H794-L796 VanDerWaalsContact ND1-CB 3.32Å; H794-L796 WeakPolarHBondContact ND1-CB 3.48Å; H794-L796 PolarHBondContact ND1-N 3.34Å; H794-L796 PolarHBondContact O-N 2.83Å; L796-L799 HydrophobicContact CD1-CD2 4.13Å; L796-L799 WeakPolarHBondContact O-CB 3.26Å; L796-L799 PolarHBondContact O-N 3.09Å; L796-T800 PolarHBondContact O-N 3.29Å
797	I	86.3	Confident	59.6	Low	18 Å²	18	90.8 Å²	90.8	9%	0.092	52%	0.524	C	S	.	.	H	α-helix	trans	-66.3	-44.4	172.3	-59.1	177.8	0	0	0	109.3	V104 R107 L108 D793 H794 W795 L799 T800 G801	V104-I797 HydrophobicContact CG1-CD1 4.22Å; R107-I797 HydrophobicContact CB-CD1 4.19Å; L108-I797 HydrophobicContact CD2-CD1 4.44Å; L108-I797 HydrophobicContact CD2-CG1 3.62Å; L108-I797 HydrophobicContact CG-CD1 4.26Å; L108-I797 HydrophobicContact CG-CG1 3.97Å; D793-I797 HydrophobicContact CB-CB 4.29Å; D793-I797 HydrophobicContact CB-CG2 4.35Å; H794-I797 HydrophobicContact CB-CD1 4.42Å; H794-I797 HydrophobicContact CB-CG1 4.45Å; H794-I797 WeakPolarHBondContact O-CB 3.28Å; H794-I797 PolarHBondContact O-N 3Å; W795-I797 VanDerWaalsContact C-N 3.33Å; W795-I797 PolarHBondContact O-N 3.09Å; I797-L799 VanDerWaalsContact C-N 3.29Å; I797-L799 PolarHBondContact O-N 3.41Å; I797-T800 PolarHBondContact O-N 3.44Å; I797-T800 PolarHBondContact O-OG1 3.15Å; I797-G801 PolarHBondContact O-N 3.29Å
798	R	88.3	Confident	59.8	Low	97 Å²	97	90.7 Å²	90.7	37%	0.366	52%	0.524	S	S	.	.	H	α-helix	trans	-60.4	-37.8	176.8	-67.1	-177.3	-87.4	133.7	-2.4	111.8	E146 D793 H794 W795 T800 G801	E146-R798 VanDerWaalsContact CD-NH2 3.25Å; E146-R798 IonicContact OE1-CZ 2.7Å; E146-R798 IonicContact OE1-NH1 3.47Å; E146-R798 PolarHBondContact OE1-NH1 3.44Å; E146-R798 IonicContact OE1-NH2 3.66Å; E146-R798 PolarHBondContact OE1-NH2 2.8Å; E146-R798 IonicContact OE2-CZ 3.87Å; E146-R798 IonicContact OE2-NH1 3.53Å; E146-R798 IonicContact OE2-NH2 3.32Å; E146-R798 PolarHBondContact OE2-NH2 2.63Å; D793-R798 HydrophobicContact CB-CG 4.21Å; D793-R798 PolarHBondContact O-NE 2.99Å; D793-R798 PolarHBondContact O-NH2 3.14Å; H794-R798 PolarHBondContact O-N 3.31Å; W795-R798 WeakPolarHBondContact O-CB 3.39Å; W795-R798 PolarHBondContact O-N 3.21Å; W795-R798 VanDerWaalsContact O-N 3.14Å; R798-T800 VanDerWaalsContact C-N 3.26Å; R798-T800 PolarHBondContact O-N 2.83Å; R798-G801 PolarHBondContact O-N 2.97Å; R798-G801 VanDerWaalsContact O-N 3.15Å
799	L	84.8	Confident	59.5	Low	53 Å²	53	92 Å²	92	28%	0.277	53%	0.528	S	S	.	.	H	α-helix	trans	-60	-32.3	173	-172.8	68.5	0	0	0	113	L150 R187 T191 W795 L796 I797	L150-L799 HydrophobicContact CD2-CB 4.1Å; L150-L799 HydrophobicContact CD2-CD1 4.32Å; R187-L799 HydrophobicContact CG-CD2 4.23Å; T191-L799 HydrophobicContact CG2-CD2 3.85Å; W795-L799 HydrophobicContact CZ3-CD2 4.25Å; W795-L799 PolarHBondContact O-N 3.23Å; L796-L799 HydrophobicContact CD1-CD2 4.13Å; L796-L799 WeakPolarHBondContact O-CB 3.26Å; L796-L799 PolarHBondContact O-N 3.09Å; I797-L799 VanDerWaalsContact C-N 3.29Å; I797-L799 PolarHBondContact O-N 3.41Å
800	T	72.8	Confident	58.7	Low	69 Å²	69	91.9 Å²	91.9	42%	0.423	53%	0.527	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.7	177.5	60.4	0	0	0	0	114.8	L796 I797 R798	L796-T800 PolarHBondContact O-N 3.29Å; I797-T800 PolarHBondContact O-N 3.44Å; I797-T800 PolarHBondContact O-OG1 3.15Å; R798-T800 VanDerWaalsContact C-N 3.26Å; R798-T800 PolarHBondContact O-N 2.83Å
801	G	61.6	Low	58.3	Low	57 Å²	57	95.8 Å²	95.8	59%	0.588	55%	0.551	S	S	*	*			trans	-77.4	-20.5	-167.5	0	0	0	0	0	116.7	I797 R798 S803	I797-G801 PolarHBondContact O-N 3.29Å; R798-G801 PolarHBondContact O-N 2.97Å; R798-G801 VanDerWaalsContact O-N 3.15Å; G801-S803 PolarHBondContact O-N 2.71Å
802	E	43.3	Very low	57.2	Low	180 Å²	180	93.4 Å²	93.4	84%	0.841	54%	0.541	S	S	*	.			trans	-91.9	92.7	-168.1	-65.6	-166.5	150.9	0	0	114
803	S	41.8	Very low	55.7	Low	120 Å²	120	96.7 Å²	96.7	84%	0.839	56%	0.564	S	S	*	*	S	Bend	trans	-169.5	-25.8	152	-97.3	0	0	0	0	117.6	G801	G801-S803 PolarHBondContact O-N 2.71Å
804	K	41.9	Very low	53.2	Low	199 Å²	199	102.2 Å²	102.2	87%	0.865	59%	0.593	S	S	*	*	S	Bend	trans	-134.3	39.2	-164.8	-77.2	-166.5	176.6	179.5	0	118.1
805	R	37.2	Very low	50.4	Low	244 Å²	244	107.8 Å²	107.8	92%	0.921	62%	0.623	S	S	*	*			trans	-156.9	124.6	143.5	-147.4	165.6	-78.1	-164.2	-4	111
806	G	37.7	Very low	47.5	Very low	82 Å²	82	114.5 Å²	114.5	85%	0.845	66%	0.664	S	S	*	*			trans	-80.5	134.5	172	0	0	0	0	0	110.9
807	S	30.9	Very low	44.5	Very low	111 Å²	111	120.1 Å²	120.1	78%	0.776	70%	0.703	S	S	*	*			trans	-150.5	135.2	161.5	-171.1	0	0	0	0	108.6	V809	S807-V809 PolarHBondContact O-N 2.77Å
808	L	39.6	Very low	41.8	Very low	181 Å²	181	124.7 Å²	124.7	95%	0.948	74%	0.736	S	S	*	*			trans	-89.4	89.9	-175.5	-74.8	166.1	0	0	0	110.5
809	V	31.7	Very low	39.1	Very low	125 Å²	125	128.3 Å²	128.3	76%	0.758	76%	0.762	S	S	*	*			trans	-137.2	123.2	164.3	-170	0	0	0	0	109.5	S807	S807-V809 PolarHBondContact O-N 2.77Å
810	S	25.6	Very low	36.3	Very low	98 Å²	98	131.6 Å²	131.6	69%	0.685	79%	0.79	S	S	*	*			trans	-75.6	132.1	-178.6	-56.9	0	0	0	0	112	S812	S810-S812 PolarHBondContact O-N 2.98Å
811	P	36.3	Very low	34.1	Very low	141 Å²	141	136.4 Å²	136.4	92%	0.916	81%	0.813	S	S	*	*			trans	-79.5	88.3	172.9	31.8	-33.2	0	0	0	110.4
812	S	29.2	Very low	32.5	Very low	89 Å²	89	139 Å²	139	62%	0.622	82%	0.822	S	S	*	*			trans	-135.3	125.2	175.7	56.1	0	0	0	0	112.3	S810	S810-S812 PolarHBondContact O-N 2.98Å
813	S	32.2	Very low	31.7	Very low	112 Å²	112	135 Å²	135	78%	0.783	82%	0.819	S	S	*	*			trans	70.2	126.4	-178	78.1	0	0	0	0	116.8
814	N	28.2	Very low	31	Very low	170 Å²	170	138.3 Å²	138.3	91%	0.909	82%	0.822	S	S	*	*			trans	-161	83.9	144.5	-106.4	-19.7	0	0	0	107.5
815	N	29.5	Very low	30.6	Very low	117 Å²	117	134.6 Å²	134.6	63%	0.626	82%	0.818	S	S	*	*			trans	-81.9	148.5	158.7	-77	-67.6	0	0	0	107.9
816	V	29.1	Very low	30.6	Very low	141 Å²	141	128.7 Å²	128.7	86%	0.855	81%	0.811	S	S	*	*			trans	-7.1	118.8	159.7	-173.9	0	0	0	0	116.3
817	S	26.9	Very low	30	Very low	119 Å²	119	130 Å²	130	83%	0.832	80%	0.803	S	S	*	*			trans	-131.5	126.7	156.1	-72.5	0	0	0	0	109.3
818	S	30.1	Very low	29.7	Very low	113 Å²	113	133.5 Å²	133.5	79%	0.79	80%	0.804	S	S	*	*			trans	-80.3	163.1	170.6	51.7	0	0	0	0	111.5
819	L	30.5	Very low	29.1	Very low	173 Å²	173	131.9 Å²	131.9	91%	0.906	79%	0.792	S	S	*	*			trans	-55.3	141.9	-179.6	-65.3	165.5	0	0	0	113.6
820	S	25.5	Very low	28.8	Very low	122 Å²	122	132.1 Å²	132.1	85%	0.853	79%	0.788	S	S	*	*			trans	-131.7	146.3	149.1	-75.1	0	0	0	0	107.4
821	D	28.1	Very low	28.8	Very low	171 Å²	171	136.5 Å²	136.5	91%	0.914	80%	0.795	S	S	*	*			trans	-87.2	167.7	-167.7	-146.9	-16	0	0	0	113.7
822	S	27.6	Very low	28.4	Very low	110 Å²	110	136.2 Å²	136.2	77%	0.769	79%	0.786	S	S	*	*			trans	-94.9	154.6	-169.4	-162.5	0	0	0	0	114.5
823	A	26.6	Very low	28.3	Very low	96 Å²	96	141 Å²	141	79%	0.793	80%	0.796	S	S	*	*			trans	-150.3	143.1	162.8	0	0	0	0	0	110.5
824	E	27.5	Very low	28	Very low	190 Å²	190	143.4 Å²	143.4	89%	0.888	80%	0.795	S	S	*	*			trans	-81.3	157	-177.8	-71.5	-174.5	118.5	0	0	113.8
825	P	33.7	Very low	28	Very low	121 Å²	121	143.1 Å²	143.1	79%	0.786	79%	0.788	S	S	*	*			trans	-90.5	163.5	178.7	37.2	-36.2	0	0	0	113.4
826	P	35.4	Very low	27.8	Very low	121 Å²	121	143.2 Å²	143.2	79%	0.786	79%	0.785	S	S	*	*			trans	-123.9	121.9	142.1	34.5	-25.7	0	0	0	113.4
827	V	25.7	Very low	27.7	Very low	110 Å²	110	146.5 Å²	146.5	67%	0.667	78%	0.782	S	S	*	*			trans	12.9	122.9	141.7	-150.5	0	0	0	0	118.2
828	F	25.5	Very low	27.6	Very low	184 Å²	184	144.7 Å²	144.7	81%	0.807	78%	0.782	S	S	*	*				178.7	165.7	107.4	-96.9	-63.7	0	0	0	116.3
829	H	25.6	Very low	27.5	Very low	147 Å²	147	142.6 Å²	142.6	68%	0.681	78%	0.778	S	S	*	*			trans	-50.5	150.2	-163.9	-82.3	-65.7	0	0	0	122.3
830	N	26.9	Very low	27.3	Very low	129 Å²	129	144.6 Å²	144.6	69%	0.69	78%	0.78	S	S	*	*			trans	40.9	128	132.2	-51	14	0	0	0	121.1
831	K	24.7	Very low	27.8	Very low	190 Å²	190	147.1 Å²	147.1	83%	0.826	78%	0.778	S	S	*	*				-163.6	155.9	104.2	-111.8	177.3	-179.8	-178.9	0	113.9
832	D	27.7	Very low	27.8	Very low	135 Å²	135	144.7 Å²	144.7	72%	0.722	78%	0.775	S	S	*	*			trans	-86.7	-169.2	-179.6	-42.5	-93.2	0	0	0	112.9
833	F	27	Very low	28.1	Very low	190 Å²	190	150.4 Å²	150.4	83%	0.833	78%	0.779	S	S	*	*			trans	113	98.8	178	-64	-59	0	0	0	111.5
834	E	27.1	Very low	28.9	Very low	162 Å²	162	151 Å²	151	76%	0.757	78%	0.775	S	S	*	*				74.7	133.7	54.7	-73.7	-70.7	-168.7	0	0	116.5
835	E	27.5	Very low	28.8	Very low	164 Å²	164	152 Å²	152	77%	0.766	78%	0.777	S	S	*	*			trans	56.8	149.7	164.4	-66.3	-163.2	129	0	0	119.1
836	E	26.1	Very low	28.6	Very low	119 Å²	119	152.2 Å²	152.2	56%	0.556	78%	0.776	S	S	*	*			cis	-155.1	168	-8.2	-131.9	-144.8	146.8	0	0	113.3
837	R	25.9	Very low	28.3	Very low	210 Å²	210	158.6 Å²	158.6	79%	0.792	78%	0.784	S	S	*	*			trans	42	121	138.4	-169.1	-176.6	-57.1	-122.6	-4.3	121.1
838	G	25.8	Very low	28.3	Very low	81 Å²	81	156 Å²	156	84%	0.835	78%	0.78	S	S	*	*			trans	168.8	103.1	154.5	0	0	0	0	0	114.5
839	G	26.9	Very low	28.5	Very low	69 Å²	69	154.8 Å²	154.8	71%	0.711	78%	0.781	S	S	*	*			trans	-134.8	152.7	176	0	0	0	0	0	112.7
840	F	27.6	Very low	28.6	Very low	215 Å²	215	156.2 Å²	156.2	94%	0.943	79%	0.788	S	S	*	*			trans	-158.1	142.4	164.1	-109.3	-74.4	0	0	0	110.7
841	E	34.7	Very low	28.5	Very low	176 Å²	176	153.1 Å²	153.1	82%	0.822	79%	0.786	S	S	*	*			trans	-88.5	149.2	168.5	-68.7	-164.4	122	0	0	111.5
842	S	29	Very low	28.7	Very low	120 Å²	120	156.1 Å²	156.1	84%	0.839	79%	0.793	S	S	*	*			trans	-154.6	128.6	154.5	-54	0	0	0	0	110.9
843	R	32.5	Very low	28.5	Very low	230 Å²	230	155.3 Å²	155.3	87%	0.868	80%	0.798	S	S	*	*			trans	-102.6	-166.9	163.8	-59	-176.6	177.8	-178.2	0	109.6
844	P	43.9	Very low	28.5	Very low	107 Å²	107	153.4 Å²	153.4	70%	0.695	80%	0.801	S	S	*	*				-116.4	177.2	-96.1	37.8	-22.4	0	0	0	112.2
845	F	25.2	Very low	28.3	Very low	213 Å²	213	150.2 Å²	150.2	93%	0.934	80%	0.797	S	S	*	*			trans	-115.6	139.9	166.6	-99.1	-86	0	0	0	113
846	V	30.3	Very low	28.1	Very low	125 Å²	125	149.8 Å²	149.8	76%	0.758	80%	0.797	S	S	*	*			trans	-130.8	142.8	179.9	174.3	0	0	0	0	108.6
847	R	29	Very low	28.1	Very low	254 Å²	254	155 Å²	155	96%	0.958	81%	0.811	S	S	*	*			trans	-138.7	142.8	156.9	-127.1	177.1	-171.3	173.5	3.9	109.2
848	G	25.3	Very low	28.3	Very low	57 Å²	57	151.2 Å²	151.2	59%	0.588	81%	0.811	S	S	*	*			trans	-154.6	-143.6	-174.6	0	0	0	0	0	111.1
849	L	30.7	Very low	28.4	Very low	158 Å²	158	153.5 Å²	153.5	83%	0.827	81%	0.811	S	S	*	*			trans	75.1	143.8	-163.8	-48.1	171.5	0	0	0	111.6
850	Q	26.4	Very low	28.4	Very low	176 Å²	176	155.2 Å²	155.2	82%	0.822	81%	0.812	S	S	*	*			cis	-157.5	154.3	-6.8	-117.9	161.3	-30.4	0	0	106.5
851	G	26	Very low	28.4	Very low	64 Å²	64	154.5 Å²	154.5	66%	0.66	81%	0.809	S	S	*	*			cis	130.8	104.6	0.3	0	0	0	0	0	112
852	R	27.8	Very low	28.5	Very low	253 Å²	253	152.1 Å²	152.1	96%	0.955	81%	0.809	S	S	*	*			trans	-170.5	139.2	161.9	-107.5	160.7	-160.7	-135.6	1.1	111.7
853	S	24.8	Very low	28.4	Very low	119 Å²	119	155.7 Å²	155.7	83%	0.832	81%	0.809	S	S	*	*			trans	-145.9	135.1	-174	-50.4	0	0	0	0	111.6
854	V	25.2	Very low	28.1	Very low	149 Å²	149	153.7 Å²	153.7	90%	0.903	81%	0.81	S	S	*	*			trans	-152.3	152.6	166.6	-167.7	0	0	0	0	108.7
855	S	23.9	Very low	27.3	Very low	95 Å²	95	153.8 Å²	153.8	66%	0.664	81%	0.813	S	S	*	*				-179.9	141.7	-54.4	-177.1	0	0	0	0	108.5
856	M	24.1	Very low	27.4	Very low	155 Å²	155	151.9 Å²	151.9	76%	0.764	81%	0.811	S	S	*	*			trans	57.7	108.6	152	-73.2	-83.9	-82.9	0	0	121.2
857	R	25.3	Very low	27.3	Very low	229 Å²	229	150.4 Å²	150.4	86%	0.864	81%	0.807	S	S	*	*				176	160	103.7	-96.7	170.4	-174.9	163.9	3.9	114.4
858	V	29.6	Very low	27.3	Very low	130 Å²	130	147.3 Å²	147.3	79%	0.788	80%	0.8	S	S	*	*			trans	-123.8	146.1	175	173	0	0	0	0	109
859	P	29.1	Very low	27.2	Very low	130 Å²	130	156.9 Å²	156.9	84%	0.844	82%	0.819	S	S	*	*			trans	-129.6	173.9	142.2	28.1	-11.1	0	0	0	112.8
860	S	25.8	Very low	26.9	Very low	104 Å²	104	157.7 Å²	157.7	73%	0.727	82%	0.816	S	S	*	*			trans	-123.6	149.3	-160.4	57.9	0	0	0	0	115.4
861	K	27.3	Very low	26.9	Very low	201 Å²	201	154.6 Å²	154.6	87%	0.874	81%	0.811	S	S	*	*			trans	40.4	138.8	139.4	-71.2	-178.7	-178.7	176.3	0	119.3
862	P	37.4	Very low	26.9	Very low	126 Å²	126	159.5 Å²	159.5	82%	0.818	82%	0.821	S	S	*	*				-145.5	-155.3	56.1	41.8	-21.6	0	0	0	116.3
863	K	27.5	Very low	26.8	Very low	194 Å²	194	157.4 Å²	157.4	84%	0.843	81%	0.813	S	S	*	*			trans	-50.5	164.6	-179.5	-59.7	177.5	172.5	177.5	0	113.6
864	E	25.5	Very low	26.7	Very low	189 Å²	189	164.1 Å²	164.1	88%	0.883	82%	0.82	S	S	*	*			cis	-141.9	177.1	37.5	-74.4	-172.5	140.1	0	0	116.2
865	S	27.6	Very low	26.7	Very low	109 Å²	109	160.6 Å²	160.6	76%	0.762	80%	0.803	S	S	*	*			trans	-93.9	143.7	-175.4	56.3	0	0	0	0	113.7
866	L	26.9	Very low	26.7	Very low	173 Å²	173	164.4 Å²	164.4	91%	0.906	82%	0.815	S	S	*	*			trans	-163.2	161.7	135.8	-110.1	167.7	0	0	0	111.9
867	S	29	Very low	26.6	Very low	94 Å²	94	160.1 Å²	160.1	66%	0.657	81%	0.81	S	S	*	*			trans	-94	138.6	-168	53	0	0	0	0	114.1
868	K	27.7	Very low	26.7	Very low	188 Å²	188	154.7 Å²	154.7	82%	0.817	81%	0.807	S	S	*	*			trans	174	117.3	145.6	-92.7	143.1	-164.9	169.9	0	110.7	F870	K868-F870 HydrophobicContact CB-CD2 4.46Å; K868-F870 HydrophobicContact CB-CE2 4.46Å
869	R	23.1	Very low	26.4	Very low	259 Å²	259	158.4 Å²	158.4	98%	0.977	81%	0.813	S	S	*	*			trans	-89.7	110.8	164.3	-86.2	-173.3	174.3	174	-0.9	109.8
870	F	25.9	Very low	26.3	Very low	175 Å²	175	160.8 Å²	160.8	77%	0.768	81%	0.813	S	S	*	*			trans	-86.5	157.6	163.9	-86.9	-92	0	0	0	110.9	K868	K868-F870 HydrophobicContact CB-CD2 4.46Å; K868-F870 HydrophobicContact CB-CE2 4.46Å
871	P	26.5	Very low	26.2	Very low	111 Å²	111	167.9 Å²	167.9	72%	0.721	82%	0.823	S	S	*	*			trans	-86.9	137.3	177.8	33.7	-33.2	0	0	0	113
872	L	24.2	Very low	26.1	Very low	167 Å²	167	169.2 Å²	169.2	87%	0.874	82%	0.823	S	S	*	*			trans	-110.1	120.9	162	-57.6	172.4	0	0	0	105.6
873	R	26.9	Very low	25.5	Very low	208 Å²	208	170.3 Å²	170.3	79%	0.785	82%	0.815	S	S	*	*			cis	64.4	89.3	37.1	-160.4	-156.1	-84.9	-136.9	1.8	113.2	S875	R873-S875 WeakPolarHBondContact CD-OG 3.46Å
874	W	22.1	Very low	25.7	Very low	260 Å²	260	167.1 Å²	167.1	99%	0.985	81%	0.814	S	S	*	*			trans	-77.1	142.5	148.3	-80.1	74	0	0	0	109.5
875	S	24.8	Very low	25.7	Very low	76 Å²	76	164.9 Å²	164.9	53%	0.531	80%	0.804	S	S	.	*			trans	-133.7	140.9	-175.9	-49.9	0	0	0	0	109.7	R873	R873-S875 WeakPolarHBondContact CD-OG 3.46Å
876	L	23.6	Very low	25.6	Very low	175 Å²	175	169.4 Å²	169.4	92%	0.916	81%	0.813	S	S	*	*			trans	-150	99	163.3	-106.9	162.5	0	0	0	109.1
877	G	23.9	Very low	25.6	Very low	65 Å²	65	166 Å²	166	67%	0.67	81%	0.81	S	S	*	*			trans	-94.5	179.1	152.2	0	0	0	0	0	109.1
878	S	26.9	Very low	25.5	Very low	115 Å²	115	167 Å²	167	80%	0.804	82%	0.817	S	S	*	*			cis	-162.3	166.8	-8.5	58.3	0	0	0	0	108.3
879	K	23.8	Very low	25.7	Very low	207 Å²	207	163.7 Å²	163.7	90%	0.9	82%	0.815	S	S	*	*			trans	-166.8	129.9	142.1	-111.6	165.8	-175.3	178.1	0	110.5
880	E	25.5	Very low	26	Very low	181 Å²	181	157.7 Å²	157.7	85%	0.846	81%	0.809	S	S	*	*			trans	-81.1	154.8	175.7	-65.3	170	81.8	0	0	111.8
881	R	23.8	Very low	26.1	Very low	252 Å²	252	154.1 Å²	154.1	95%	0.951	81%	0.812	S	S	*	*			trans	-144.2	149.4	141.1	-145.9	171.9	-175	-177	0	109.1
882	R	25.3	Very low	26.4	Very low	229 Å²	229	157.9 Å²	157.9	86%	0.864	82%	0.82	S	S	*	*			trans	-83.6	167.6	-165.2	-67.2	179.5	175.9	172.4	-2.2	113.9
883	K	26.1	Very low	26.7	Very low	149 Å²	149	157.6 Å²	157.6	65%	0.648	82%	0.819	S	S	*	*			trans	-43.6	159.4	168.5	-126.2	-172.6	-174.8	-167.9	0	113.4	E885	K883-E885 HydrophobicContact CD-CG 4.01Å; K883-E885 VanDerWaalsContact CE-CD 3.48Å; K883-E885 WeakPolarHBondContact CE-OE1 3.46Å; K883-E885 HydrophobicContact CG-CG 4.49Å; K883-E885 IonicContact NZ-OE1 3.86Å; K883-E885 PolarHBondContact NZ-OE1 3.3Å; K883-E885 IonicContact NZ-OE2 2.68Å; K883-E885 PolarHBondContact NZ-OE2 3.09Å; K883-E885 VanDerWaalsContact NZ-OE2 3.07Å
884	P	30.5	Very low	27.1	Very low	128 Å²	128	152.7 Å²	152.7	83%	0.831	81%	0.814	S	S	*	*				-132.5	-168.8	73.9	38.5	-24.8	0	0	0	115
885	E	25.4	Very low	27.6	Very low	142 Å²	142	146.3 Å²	146.3	66%	0.664	80%	0.8	S	S	*	*			trans	-107.9	157.6	-169	-68.8	155.7	127.4	0	0	113.5	K883	K883-E885 HydrophobicContact CD-CG 4.01Å; K883-E885 VanDerWaalsContact CE-CD 3.48Å; K883-E885 WeakPolarHBondContact CE-OE1 3.46Å; K883-E885 HydrophobicContact CG-CG 4.49Å; K883-E885 IonicContact NZ-OE1 3.86Å; K883-E885 PolarHBondContact NZ-OE1 3.3Å; K883-E885 IonicContact NZ-OE2 2.68Å; K883-E885 PolarHBondContact NZ-OE2 3.09Å; K883-E885 VanDerWaalsContact NZ-OE2 3.07Å
886	Q	24.7	Very low	28.3	Very low	203 Å²	203	147.6 Å²	147.6	95%	0.949	81%	0.806	S	S	*	*			trans	-156.7	161.4	137.6	-114.6	170.8	4.4	0	0	111.1
887	A	28	Very low	28.7	Very low	103 Å²	103	142.5 Å²	142.5	85%	0.851	79%	0.789	S	S	*	*			trans	-99.8	169	-166.2	0	0	0	0	0	114
888	S	26.8	Very low	29.3	Very low	114 Å²	114	146.1 Å²	146.1	80%	0.797	79%	0.789	S	S	*	*			trans	-141.6	155.1	171.4	39.8	0	0	0	0	111
889	P	31.3	Very low	29.7	Very low	119 Å²	119	146.1 Å²	146.1	77%	0.773	78%	0.779	S	S	*	*			trans	-84.5	167.5	-165.8	34.2	-37.2	0	0	0	114.4
890	P	29.9	Very low	30.3	Very low	132 Å²	132	140.1 Å²	140.1	86%	0.857	76%	0.76	S	S	*	*			trans	-71.6	149.9	179.2	30.3	-36.5	0	0	0	113.3
891	A	28.2	Very low	30.9	Very low	101 Å²	101	137.6 Å²	137.6	84%	0.835	75%	0.748	S	S	*	*			trans	-115.6	162.1	169.7	0	0	0	0	0	110.3
892	Q	32.3	Very low	31.5	Very low	189 Å²	189	128.5 Å²	128.5	88%	0.883	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-86.8	154.2	-169.8	-65.9	160.9	-49	0	0	112.7
893	D	31.2	Very low	32.1	Very low	162 Å²	162	121.9 Å²	121.9	87%	0.866	70%	0.695	S	S	*	*	P	Polyproline II helix	trans	-70.3	139.4	169.7	-65.9	-61.2	0	0	0	111.1
894	P	34.3	Very low	32.5	Very low	104 Å²	104	119.5 Å²	119.5	68%	0.675	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-80.6	156.1	176.4	33.1	-34.9	0	0	0	113
895	D	33.3	Very low	32.9	Very low	127 Å²	127	116.2 Å²	116.2	68%	0.679	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-81.2	143.7	-172.9	-160.2	38	0	0	0	112.1	A897 E898	D895-A897 PolarHBondContact O-N 3.47Å; D895-E898 PolarHBondContact O-N 2.9Å
896	P	38.6	Very low	33.3	Very low	102 Å²	102	112.3 Å²	112.3	66%	0.662	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-18	-168.6	-27.1	36.8	0	0	0	116.7	E898	P896-E898 PolarHBondContact O-N 3.11Å
897	A	33.4	Very low	33.8	Very low	68 Å²	68	106.4 Å²	106.4	56%	0.562	63%	0.633	S	S	*	*	H	α-helix	trans	-63.2	-37.9	-178.4	0	0	0	0	0	113.2	D895 L899 V900	D895-A897 PolarHBondContact O-N 3.47Å; A897-L899 PolarHBondContact O-N 3.06Å; A897-V900 PolarHBondContact O-N 2.61Å; A897-V900 VanDerWaalsContact O-N 3.12Å
898	E	36	Very low	33.9	Very low	142 Å²	142	107.4 Å²	107.4	66%	0.664	62%	0.615	S	S	*	*	H	α-helix	trans	-65.5	-26.9	-174.3	-163.1	175.1	-145.2	0	0	112.4	D895 P896 Y902	D895-E898 PolarHBondContact O-N 2.9Å; P896-E898 PolarHBondContact O-N 3.11Å; E898-Y902 PolarHBondContact O-N 2.96Å
899	L	35.8	Very low	34	Very low	114 Å²	114	106.8 Å²	106.8	60%	0.597	61%	0.608	S	S	*	*	H	α-helix	trans	-75.1	-25	178.1	-168.2	65.3	0	0	0	113.1	A897 L903	A897-L899 PolarHBondContact O-N 3.06Å; L899-L903 WeakPolarHBondContact O-CG 3.4Å; L899-L903 PolarHBondContact O-N 3.33Å
900	V	36.8	Very low	34.1	Very low	82 Å²	82	108.3 Å²	108.3	50%	0.497	60%	0.598	S	S	.	*	H	α-helix	trans	-74.4	-48.5	178.9	-177.1	0	0	0	0	110.1	A897 Y902 L903 E904	A897-V900 PolarHBondContact O-N 2.61Å; A897-V900 VanDerWaalsContact O-N 3.12Å; V900-Y902 PolarHBondContact O-N 3.07Å; V900-L903 PolarHBondContact O-N 2.82Å; V900-E904 HydrophobicContact CG1-CG 4.45Å; V900-E904 PolarHBondContact O-N 3.35Å
901	E	36.9	Very low	33.9	Very low	128 Å²	128	108.1 Å²	108.1	60%	0.598	60%	0.599	S	S	*	*	H	α-helix	trans	-59.3	-36.2	177.2	-165.5	-171.6	148.7	0	0	111.9	L903 S905 R907	E901-L903 VanDerWaalsContact C-N 3.33Å; E901-L903 PolarHBondContact O-N 2.93Å; E901-S905 WeakPolarHBondContact O-CB 3.39Å; E901-S905 PolarHBondContact O-N 2.9Å; E901-S905 VanDerWaalsContact O-N 3.1Å; E901-S905 PolarHBondContact O-OG 2.7Å; E901-R907 IonicContact OE1-NH2 2.7Å
902	Y	37.1	Very low	34.1	Very low	61 Å²	61	108 Å²	108	24%	0.239	59%	0.588	C	S	.	*	H	α-helix	trans	-61.4	-36.6	174.2	-178.6	-107.6	0	0	0	113.3	E898 V900 R907 R908 P909	E898-Y902 PolarHBondContact O-N 2.96Å; V900-Y902 PolarHBondContact O-N 3.07Å; Y902-R907 HydrophobicContact CD2-CB 4.33Å; Y902-R907 HydrophobicContact CE2-CB 3.93Å; Y902-R908 PolarHBondContact OH-O 3.24Å; Y902-P909 WeakPolarHBondContact OH-CA 3.19Å
903	L	37.1	Very low	34.2	Very low	90 Å²	90	108.9 Å²	108.9	47%	0.471	59%	0.589	S	S	.	*	H	α-helix	trans	-83	-34.7	-179.4	-70.1	171.2	0	0	0	113.2	L899 V900 E901	L899-L903 WeakPolarHBondContact O-CG 3.4Å; L899-L903 PolarHBondContact O-N 3.33Å; V900-L903 PolarHBondContact O-N 2.82Å; E901-L903 VanDerWaalsContact C-N 3.33Å; E901-L903 PolarHBondContact O-N 2.93Å
904	E	35.9	Very low	34.2	Very low	99 Å²	99	107.8 Å²	107.8	46%	0.463	58%	0.583	S	S	.	*	H	α-helix	trans	-74.3	-32.2	177.8	-65.8	-164.4	142.2	0	0	112.6	V900 G906	V900-E904 HydrophobicContact CG1-CG 4.45Å; V900-E904 PolarHBondContact O-N 3.35Å; E904-G906 VanDerWaalsContact C-N 3.26Å; E904-G906 PolarHBondContact O-N 2.88Å
905	S	38.1	Very low	34	Very low	59 Å²	59	106.3 Å²	106.3	41%	0.413	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.3	0.2	179.4	57.1	0	0	0	0	115.3	E901 R907	E901-S905 WeakPolarHBondContact O-CB 3.39Å; E901-S905 PolarHBondContact O-N 2.9Å; E901-S905 VanDerWaalsContact O-N 3.1Å; E901-S905 PolarHBondContact O-OG 2.7Å; S905-R907 VanDerWaalsContact C-N 3.35Å; S905-R907 PolarHBondContact O-N 3.23Å; S905-R907 PolarHBondContact OG-NE 3Å
906	G	33.4	Very low	33.9	Very low	59 Å²	59	106.4 Å²	106.4	61%	0.608	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.6	26	168.6	0	0	0	0	0	115.8	E904	E904-G906 VanDerWaalsContact C-N 3.26Å; E904-G906 PolarHBondContact O-N 2.88Å
907	R	36.4	Very low	33.5	Very low	79 Å²	79	106 Å²	106	30%	0.298	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-71.6	164.8	-175.5	-56.7	-174.9	-159.5	-166	2.6	113.1	D612 E901 Y902 S905	D612-R907 IonicContact OD2-CZ 2.87Å; D612-R907 IonicContact OD2-NH1 3.83Å; D612-R907 PolarHBondContact OD2-NH1 3.25Å; E901-R907 IonicContact OE1-NH2 2.7Å; Y902-R907 HydrophobicContact CD2-CB 4.33Å; Y902-R907 HydrophobicContact CE2-CB 3.93Å; S905-R907 VanDerWaalsContact C-N 3.35Å; S905-R907 PolarHBondContact O-N 3.23Å; S905-R907 PolarHBondContact OG-NE 3Å
908	R	30.1	Very low	33.5	Very low	124 Å²	124	107.9 Å²	107.9	47%	0.468	57%	0.574	S	S	.	*	P	Polyproline II helix	trans	-72.3	140.9	172.1	-98.2	174.5	157.3	159.5	-7.2	112	Y902 E1222 S1223	Y902-R908 PolarHBondContact OH-O 3.24Å; R908-E1222 VanDerWaalsContact CZ-O 3.28Å; R908-E1222 PolarHBondContact NE-O 2.66Å; R908-E1222 PolarHBondContact NH2-O 3.2Å; R908-S1223 PolarHBondContact NH2-OG 3.03Å
909	P	28.9	Very low	33.4	Very low	101 Å²	101	107.1 Å²	107.1	66%	0.656	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-60.3	133	169.5	-25.3	35.7	0	0	0	113.2	Y902	Y902-P909 WeakPolarHBondContact OH-CA 3.19Å
910	R	32.2	Very low	33.1	Very low	151 Å²	151	109.5 Å²	109.5	57%	0.57	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-78.5	134.9	171.6	-85.2	179.5	158.7	146.6	-4	111.9	D612 T912	D612-R910 VanDerWaalsContact CB-NH2 3.3Å; D612-R910 PolarHBondContact O-NH2 3.33Å; D612-R910 IonicContact OD1-CZ 3.6Å; D612-R910 IonicContact OD1-NH1 3.6Å; D612-R910 PolarHBondContact OD1-NH1 2.98Å; D612-R910 IonicContact OD1-NH2 3.71Å; D612-R910 PolarHBondContact OD1-NH2 3.17Å; R910-T912 PolarHBondContact O-N 3.06Å
911	C	26.7	Very low	32.9	Very low	129 Å²	129	111.5 Å²	111.5	87%	0.872	60%	0.597	S	S	*	*			trans	-86	95.7	174.8	-172.6	0	0	0	0	111.5
912	T	32.3	Very low	32.4	Very low	98 Å²	98	113.5 Å²	113.5	60%	0.601	61%	0.606	S	S	*	*			trans	-77.7	157.9	167.7	56.2	0	0	0	0	111	R910	R910-T912 PolarHBondContact O-N 3.06Å
913	K	33.9	Very low	32	Very low	208 Å²	208	115.6 Å²	115.6	90%	0.904	63%	0.63	S	S	*	*	S	Bend	trans	-91.4	-19.3	176.2	-79.6	-179	176.5	173.3	0	113.5
914	D	32	Very low	31.6	Very low	138 Å²	138	122.9 Å²	122.9	74%	0.738	65%	0.651	S	S	*	*	S	Bend	trans	-90.5	151	-172	-55	-70.8	0	0	0	112.1	I916	D914-I916 PolarHBondContact O-N 3.14Å
915	S	29	Very low	31.1	Very low	73 Å²	73	123.4 Å²	123.4	51%	0.51	67%	0.666	S	S	.	*			trans	-85.7	113.4	-171.9	-170.3	0	0	0	0	111.7	V917 T918	S915-V917 PolarHBondContact O-N 3.3Å; S915-V917 WeakPolarHBondContact OG-CB 3.44Å; S915-V917 WeakPolarHBondContact OG-CG2 3.34Å; S915-T918 PolarHBondContact O-N 3.46Å; S915-T918 PolarHBondContact O-OG1 3.26Å
916	I	30.3	Very low	30.6	Very low	129 Å²	129	126.1 Å²	126.1	66%	0.662	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-57	-20	174.2	-110.2	170.6	0	0	0	113.1	D914 T918 V919	D914-I916 PolarHBondContact O-N 3.14Å; I916-T918 PolarHBondContact O-N 3.28Å; I916-T918 VanDerWaalsContact O-N 3.12Å; I916-V919 PolarHBondContact O-N 2.77Å; I916-V919 VanDerWaalsContact O-N 3.13Å
917	V	31.7	Very low	30.2	Very low	93 Å²	93	133.1 Å²	133.1	56%	0.564	70%	0.698	S	S	*	*	G	3₁₀ helix	trans	-57.5	-25.3	177.2	-176.2	0	0	0	0	112.8	S915	S915-V917 PolarHBondContact O-N 3.3Å; S915-V917 WeakPolarHBondContact OG-CB 3.44Å; S915-V917 WeakPolarHBondContact OG-CG2 3.34Å
918	T	32.2	Very low	29.8	Very low	109 Å²	109	138.8 Å²	138.8	67%	0.669	73%	0.725	S	S	*	*	G	3₁₀ helix	trans	-74.4	-26.7	-179.8	-41.2	0	0	0	0	113	S915 I916	S915-T918 PolarHBondContact O-N 3.46Å; S915-T918 PolarHBondContact O-OG1 3.26Å; I916-T918 PolarHBondContact O-N 3.28Å; I916-T918 VanDerWaalsContact O-N 3.12Å
919	V	34.1	Very low	29.7	Very low	125 Å²	125	138.9 Å²	138.9	76%	0.758	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	-29.7	-176.3	-177.3	0	0	0	0	112.1	I916	I916-V919 PolarHBondContact O-N 2.77Å; I916-V919 VanDerWaalsContact O-N 3.13Å
920	M	30.8	Very low	29.5	Very low	165 Å²	165	139.8 Å²	139.8	81%	0.813	75%	0.751	S	S	*	*	S	Bend	trans	-91.3	8.4	-175.3	-75.3	-171.1	162.5	0	0	115.6
921	N	32.8	Very low	29.3	Very low	123 Å²	123	139.7 Å²	139.7	66%	0.658	77%	0.766	S	S	*	*			trans	-128.7	9.2	-170.5	-104.9	-28.1	0	0	0	116.6	S923	N921-S923 VanDerWaalsContact C-N 3.27Å; N921-S923 PolarHBondContact O-N 3.23Å
922	E	26.5	Very low	29.1	Very low	171 Å²	171	136.9 Å²	136.9	80%	0.799	76%	0.759	S	S	*	*			trans	-81.6	62.6	173.2	-73.5	-127.7	141.4	0	0	113.2	R924	E922-R924 PolarHBondContact O-N 2.74Å
923	S	27.8	Very low	28.8	Very low	105 Å²	105	143.8 Å²	143.8	73%	0.734	77%	0.774	S	S	*	*			trans	-78.2	97.9	167.1	65.3	0	0	0	0	110.6	N921 S925	N921-S923 VanDerWaalsContact C-N 3.27Å; N921-S923 PolarHBondContact O-N 3.23Å; S923-S925 PolarHBondContact O-N 3.29Å
924	R	29.4	Very low	28.4	Very low	243 Å²	243	138.4 Å²	138.4	92%	0.917	77%	0.769	S	S	*	*			trans	-60.1	105.6	176.9	-74.7	-178.6	172.3	-178.6	-1.8	112.5	E922	E922-R924 PolarHBondContact O-N 2.74Å
925	S	24.3	Very low	28.1	Very low	110 Å²	110	136.1 Å²	136.1	77%	0.769	77%	0.769	S	S	*	*			trans	-147.9	112.2	157.3	69.9	0	0	0	0	112.8	S923	S923-S925 PolarHBondContact O-N 3.29Å
926	S	27.8	Very low	27.9	Very low	115 Å²	115	138.4 Å²	138.4	80%	0.804	79%	0.785	S	S	*	*			trans	-36.8	144.9	177.4	56.1	0	0	0	0	118.3
927	K	25	Very low	27.8	Very low	206 Å²	206	137.9 Å²	137.9	90%	0.896	79%	0.788	S	S	*	*			trans	-129.3	131.7	143.6	-79.7	-172.1	175	179.3	0	110.6
928	K	28	Very low	27.5	Very low	198 Å²	198	144.1 Å²	144.1	86%	0.861	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-77.8	149.7	168.4	-68.3	-177.1	176.7	-177.4	0	110.1
929	P	27.9	Very low	27.2	Very low	126 Å²	126	144.1 Å²	144.1	82%	0.818	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-72.7	166.2	165.6	32.5	-34.9	0	0	0	111.9
930	S	25.8	Very low	26.8	Very low	121 Å²	121	142.7 Å²	142.7	85%	0.846	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-86	162.8	-176.3	49.1	0	0	0	0	114.5
931	V	26.8	Very low	26.5	Very low	149 Å²	149	138.8 Å²	138.8	90%	0.903	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-69	146.7	-176.5	175.2	0	0	0	0	113.3
932	G	23.7	Very low	26.1	Very low	70 Å²	70	140 Å²	140	72%	0.722	81%	0.813	S	S	*	*			trans	-152	120.9	162.9	0	0	0	0	0	112.8
933	R	25.6	Very low	26	Very low	242 Å²	242	135.3 Å²	135.3	91%	0.913	81%	0.81	S	S	*	*			trans	58.6	104.3	172.7	-81.8	180	161.1	144.6	-5	119.3
934	A	24.6	Very low	25.8	Very low	96 Å²	96	136.5 Å²	136.5	79%	0.793	82%	0.818	S	S	*	*				33.6	152.7	109	0	0	0	0	0	121.8
935	A	25.6	Very low	25.9	Very low	89 Å²	89	133.6 Å²	133.6	74%	0.736	82%	0.817	S	S	*	*			cis	-179.5	113.5	-21	0	0	0	0	0	110
936	S	25.3	Very low	25.9	Very low	122 Å²	122	133.5 Å²	133.5	85%	0.853	82%	0.816	S	S	*	*			trans	175.8	148.5	162.4	-90.2	0	0	0	0	109.7
937	V	27.8	Very low	25.8	Very low	118 Å²	118	133.2 Å²	133.2	72%	0.715	81%	0.813	S	S	*	*			cis	-157.9	164.2	-19.4	105	0	0	0	0	107.7
938	R	25.4	Very low	25.8	Very low	223 Å²	223	130.5 Å²	130.5	84%	0.842	81%	0.813	S	S	*	*			trans	7.4	144.5	160	-58.5	171.2	-175.6	168.6	0.1	119.4
939	S	27.1	Very low	25.6	Very low	110 Å²	110	124.1 Å²	124.1	77%	0.769	80%	0.804	S	S	*	*			cis	-172.6	-177.3	2.5	-103.8	0	0	0	0	111.1
940	A	24.4	Very low	25.4	Very low	95 Å²	95	127.6 Å²	127.6	79%	0.785	81%	0.806	S	S	*	*			trans	-45.1	162.6	159.8	0	0	0	0	0	115.6
941	A	25.1	Very low	25.2	Very low	83 Å²	83	128.4 Å²	128.4	69%	0.686	80%	0.799	S	S	*	*			cis	-178.8	-172.9	-16.1	0	0	0	0	0	110.5
942	V	24.3	Very low	25	Very low	149 Å²	149	128.8 Å²	128.8	90%	0.903	79%	0.79	S	S	*	*			trans	78.9	127.1	158.4	-169.7	0	0	0	0	119.1
943	G	23.3	Very low	24.9	Very low	72 Å²	72	134.3 Å²	134.3	74%	0.742	80%	0.797	S	S	*	*			trans	77.7	164	156.2	0	0	0	0	0	116.5
944	S	24.7	Very low	24.6	Very low	129 Å²	129	130.5 Å²	130.5	90%	0.902	79%	0.79	S	S	*	*			cis	-159.2	176.2	-23.7	-163.3	0	0	0	0	108.2
945	M	31	Very low	25.3	Very low	183 Å²	183	130.4 Å²	130.4	90%	0.901	78%	0.781	S	S	*	*			trans	-103.1	123.5	-172.8	-63.9	-170.9	73.1	0	0	115.3
946	S	24.1	Very low	25.3	Very low	107 Å²	107	132.5 Å²	132.5	75%	0.748	78%	0.776	S	S	*	*			trans	-157.6	144.5	142.6	55.9	0	0	0	0	108
947	C	26.9	Very low	25.2	Very low	109 Å²	109	135.9 Å²	135.9	74%	0.736	77%	0.771	S	S	*	*			cis	87.7	117.1	13.6	98.6	0	0	0	0	116.9
948	V	24.1	Very low	25.1	Very low	149 Å²	149	135.6 Å²	135.6	90%	0.903	77%	0.769	S	S	*	*			trans	64.8	128.5	172.9	-163.9	0	0	0	0	116
949	G	24	Very low	25	Very low	65 Å²	65	133.1 Å²	133.1	67%	0.67	77%	0.767	S	S	*	*			cis	151.5	-174.5	-9.4	0	0	0	0	0	113.5
950	K	24.6	Very low	25.2	Very low	199 Å²	199	133.8 Å²	133.8	87%	0.865	77%	0.767	S	S	*	*			trans	73.4	137.3	162.1	-119.8	-169.5	-177.5	-162.7	0	119.4
951	M	21.8	Very low	25.6	Very low	138 Å²	138	134.6 Å²	134.6	68%	0.68	76%	0.764	S	S	*	*			trans	117.4	109.8	131.5	-150.4	144.5	161.5	0	0	117.8
952	E	21.4	Very low	25.6	Very low	156 Å²	156	139.5 Å²	139.5	73%	0.729	77%	0.773	S	S	*	*			trans	71.2	153.1	141.2	-80.9	153.2	-150.7	0	0	124.3
953	E	21.1	Very low	25.6	Very low	186 Å²	186	136 Å²	136	87%	0.869	77%	0.767	S	S	*	*			trans	65.4	117	162.5	-69.4	-176	157.1	0	0	123.6
954	E	19.7	Very low	25.8	Very low	163 Å²	163	140.9 Å²	140.9	76%	0.762	77%	0.77	S	S	*	*			trans	-53	169.3	144.4	-86.8	-84.9	145.3	0	0	111.4
955	P	39.8	Very low	25.7	Very low	93 Å²	93	145.9 Å²	145.9	60%	0.604	77%	0.769	S	S	*	*			cis	-155	172.8	38.5	45.7	-25.2	0	0	0	120.9
956	H	24.8	Very low	25.5	Very low	134 Å²	134	148.2 Å²	148.2	62%	0.62	77%	0.768	S	S	*	*			trans	67	155.8	149.7	-64.1	-25.9	0	0	0	117.8
957	Y	24.7	Very low	25.5	Very low	193 Å²	193	148.1 Å²	148.1	76%	0.757	77%	0.765	S	S	*	*			cis	-143.9	165.9	-2.2	-100.4	-49.6	0	0	0	106.3
958	T	25.1	Very low	25.2	Very low	111 Å²	111	147.7 Å²	147.7	68%	0.681	76%	0.763	S	S	*	*			cis	-154.2	174.1	8.7	-8.2	0	0	0	0	106.8
959	Q	23.4	Very low	25.1	Very low	171 Å²	171	148.6 Å²	148.6	80%	0.799	76%	0.758	S	S	*	*			cis	-154.6	177.2	2.9	-158.4	158.8	-20.7	0	0	109.6
960	V	30.3	Very low	25.3	Very low	125 Å²	125	156.9 Å²	156.9	76%	0.758	77%	0.768	S	S	*	*			trans	-143.1	168.7	177.4	-129.6	0	0	0	0	107.3
961	P	34.4	Very low	25.4	Very low	112 Å²	112	152.8 Å²	152.8	73%	0.727	76%	0.762	S	S	*	*			cis	-148.3	-174.2	45.4	43	-20.7	0	0	0	118
962	E	24.3	Very low	25.5	Very low	186 Å²	186	151 Å²	151	87%	0.869	76%	0.764	S	S	*	*			trans	-50.7	172.2	162.9	-48.8	156.4	93.3	0	0	114.7
963	G	24.6	Very low	25.6	Very low	76 Å²	76	150.7 Å²	150.7	78%	0.784	76%	0.762	S	S	*	*			trans	173	86.2	161.5	0	0	0	0	0	117.5
964	Q	26	Very low	25.9	Very low	174 Å²	174	149.3 Å²	149.3	81%	0.813	75%	0.753	S	S	*	*			trans	-29.1	146.8	162.9	-52.4	165	5	0	0	116.7
965	R	24.2	Very low	26.2	Very low	233 Å²	233	148.2 Å²	148.2	88%	0.879	76%	0.758	S	S	*	*				169.8	167	115.3	-91.5	165.7	-171.1	-147.8	3.1	112.9
966	R	26.1	Very low	25.7	Very low	233 Å²	233	147.9 Å²	147.9	88%	0.879	76%	0.763	S	S	*	*			trans	-72	149.1	153.9	-77.8	-178	178.1	164.3	-0.7	109.2
967	P	24.2	Very low	25.8	Very low	105 Å²	105	146.1 Å²	146.1	68%	0.682	77%	0.766	S	S	*	*				-108	169.1	95.9	38.3	-39.5	0	0	0	109.1
968	S	20.1	Very low	26	Very low	99 Å²	99	144.4 Å²	144.4	69%	0.692	77%	0.769	S	S	*	*			cis	59.3	142.6	38.7	75.4	0	0	0	0	111.5
969	E	22.6	Very low	26.3	Very low	169 Å²	169	149.2 Å²	149.2	79%	0.79	77%	0.774	S	S	*	*			cis	-136.7	172.5	10.2	-66.4	174.1	138.7	0	0	111.1
970	R	27.6	Very low	26.7	Very low	238 Å²	238	149.8 Å²	149.8	90%	0.898	77%	0.769	S	S	*	*			trans	-90.1	135.5	143.7	-70.1	-178.4	179.3	177	-0.8	106.6
971	P	27.5	Very low	26.6	Very low	113 Å²	113	152.5 Å²	152.5	73%	0.734	77%	0.771	S	S	*	*				-136.3	144.8	102.6	34.6	-23.4	0	0	0	110.7
972	S	24.3	Very low	26.2	Very low	102 Å²	102	154 Å²	154	71%	0.713	77%	0.766	S	S	*	*			cis	-142.7	156.4	42.6	37.7	0	0	0	0	110.5
973	E	22.6	Very low	26.3	Very low	149 Å²	149	151.4 Å²	151.4	70%	0.696	75%	0.754	S	S	*	*				50.9	124.9	70.5	-78.3	-165.1	-169.2	0	0	113.5
974	K	27.1	Very low	26.4	Very low	157 Å²	157	154.4 Å²	154.4	68%	0.683	75%	0.752	S	S	*	*			cis	-154.2	148.3	20.5	-108	146.4	171.8	135	0	111
975	T	27.3	Very low	26.6	Very low	139 Å²	139	153 Å²	153	85%	0.853	76%	0.755	S	S	*	*			trans	59.3	163	151.4	53.6	0	0	0	0	118.4
976	A	28.1	Very low	26.8	Very low	87 Å²	87	146.5 Å²	146.5	72%	0.719	75%	0.751	S	S	*	*			cis	-174.7	160.6	-23.1	0	0	0	0	0	105.8
977	S	28.1	Very low	27	Very low	96 Å²	96	144.6 Å²	144.6	67%	0.671	75%	0.749	S	S	*	*			cis	-170.3	151.3	-15.5	50.7	0	0	0	0	109.5
978	L	28.9	Very low	27.2	Very low	158 Å²	158	147.8 Å²	147.8	83%	0.827	76%	0.755	S	S	*	*			trans	39.1	119.4	142	-60.8	168.5	0	0	0	120.2
979	R	30.4	Very low	27.6	Very low	211 Å²	211	151.9 Å²	151.9	80%	0.796	76%	0.763	S	S	*	*				169.3	142.9	116.6	-92.5	168.3	-173.6	-157.4	4.5	110.3
980	R	31.4	Very low	27.9	Very low	184 Å²	184	148.3 Å²	148.3	69%	0.694	76%	0.757	S	S	*	*			cis	-164.5	136.1	-5.1	-141.4	171.9	-170.3	-170	1.8	111.1
981	K	27.7	Very low	27.8	Very low	182 Å²	182	142.6 Å²	142.6	79%	0.791	75%	0.754	S	S	*	*			trans	54.6	162.9	147.3	-76.1	-174.3	168.9	-163.2	0	121.2
982	K	27	Very low	27.7	Very low	142 Å²	142	140.2 Å²	140.2	62%	0.617	75%	0.749	S	S	*	*			cis	178.1	140.9	-33.8	-161.3	179.6	177.3	-124.5	0	108.5
983	E	26.5	Very low	27.8	Very low	132 Å²	132	143 Å²	143	62%	0.617	76%	0.756	S	S	*	*			trans	61.8	166.2	157.8	-81.4	154.5	173.4	0	0	119.4
984	N	27.1	Very low	27.9	Very low	140 Å²	140	145 Å²	145	75%	0.749	77%	0.768	S	S	*	*			cis	-178.2	171.8	-46	-101.2	-2	0	0	0	109.2
985	V	30.2	Very low	28	Very low	143 Å²	143	143.1 Å²	143.1	87%	0.867	77%	0.774	S	S	*	*			trans	83.8	149	158.2	-161.3	0	0	0	0	117.9
986	A	27.8	Very low	27.9	Very low	97 Å²	97	141.2 Å²	141.2	80%	0.802	77%	0.773	S	S	*	*			trans	98.1	153.5	163.2	0	0	0	0	0	117.7
987	K	30.3	Very low	28.2	Very low	194 Å²	194	142.5 Å²	142.5	84%	0.843	78%	0.777	S	S	*	*			trans	-122	167.7	-163.2	-96.2	-168.2	171.3	-162.4	0	112.7
988	E	29	Very low	28.2	Very low	171 Å²	171	144.3 Å²	144.3	80%	0.799	79%	0.789	S	S	*	*			trans	-46.1	152.3	168.7	-52	155.8	114.8	0	0	114.6
989	E	28.7	Very low	28.1	Very low	186 Å²	186	140.1 Å²	140.1	87%	0.869	78%	0.784	S	S	*	*				-160.6	151.4	102.5	-125.9	-176.6	-156.7	0	0	115.3
990	S	27.4	Very low	28.1	Very low	94 Å²	94	135.3 Å²	135.3	66%	0.657	78%	0.783	S	S	*	*			trans	57.9	112.7	145.7	-152.9	0	0	0	0	124
991	S	26.2	Very low	28	Very low	118 Å²	118	135 Å²	135	83%	0.825	80%	0.795	S	S	*	*			trans	73.8	152.7	136.2	79.5	0	0	0	0	121.9
992	G	24.7	Very low	28.2	Very low	62 Å²	62	132.1 Å²	132.1	64%	0.639	79%	0.793	S	S	*	*			trans	101.9	98	153.1	0	0	0	0	0	118.1
993	N	27.7	Very low	28.1	Very low	161 Å²	161	133.4 Å²	133.4	86%	0.861	81%	0.805	S	S	*	*			trans	29.2	105.2	148.6	-59.9	-10.3	0	0	0	119.5
994	M	23.9	Very low	28.4	Very low	191 Å²	191	132.2 Å²	132.2	94%	0.941	81%	0.812	S	S	*	*			trans	-106	98.9	161	-79.6	-70.5	171.5	0	0	111.2
995	S	30.2	Very low	28.5	Very low	117 Å²	117	136 Å²	136	82%	0.818	82%	0.816	S	S	*	*			trans	-116.1	87.6	172.9	59.3	0	0	0	0	110.5
996	A	25	Very low	28.5	Very low	100 Å²	100	139.8 Å²	139.8	83%	0.826	81%	0.814	S	S	*	*			trans	-147.9	127.9	175.1	0	0	0	0	0	112
997	S	33.3	Very low	28.6	Very low	114 Å²	114	142.5 Å²	142.5	80%	0.797	81%	0.808	S	S	*	*			trans	-91.3	127.4	168.4	53.4	0	0	0	0	111
998	S	28.7	Very low	28.5	Very low	133 Å²	133	140.9 Å²	140.9	93%	0.93	80%	0.804	S	S	*	*			trans	-178.6	160.2	158.4	-84.5	0	0	0	0	109.6
999	G	26.6	Very low	28.5	Very low	71 Å²	71	136.3 Å²	136.3	73%	0.732	80%	0.802	S	S	*	*			cis	-174.2	168.5	-1.1	0	0	0	0	0	111.5
1000	S	31.5	Very low	28.5	Very low	109 Å²	109	138.1 Å²	138.1	76%	0.762	80%	0.801	S	S	*	*			trans	-66.8	150.4	-175.2	-47.7	0	0	0	0	114.1
1001	N	28	Very low	28.6	Very low	177 Å²	177	142.6 Å²	142.6	95%	0.947	80%	0.804	S	S	*	*			trans	-94.8	132.2	149.2	-91.5	-35.4	0	0	0	108.9
1002	T	31.7	Very low	28.8	Very low	122 Å²	122	143.8 Å²	143.8	75%	0.748	80%	0.796	S	S	*	*			trans	-124.3	152.3	-177.3	53.7	0	0	0	0	111.9
1003	L	25.8	Very low	29	Very low	169 Å²	169	145.6 Å²	145.6	89%	0.885	80%	0.799	S	S	*	*			trans	-125.4	120.9	161.8	-86.6	168.7	0	0	0	110
1004	S	32.6	Very low	29.1	Very low	108 Å²	108	143.6 Å²	143.6	76%	0.755	80%	0.798	S	S	*	*			trans	22.8	139.5	158.1	65.7	0	0	0	0	119.9
1005	R	28.1	Very low	29.4	Very low	220 Å²	220	138.4 Å²	138.4	83%	0.83	79%	0.785	S	S	*	*				-179.4	121.7	65.7	176.4	173.8	175	162.4	-2.6	114.7
1006	R	30.4	Very low	29.4	Very low	221 Å²	221	142.6 Å²	142.6	83%	0.834	79%	0.789	S	S	*	*			trans	55.8	131.9	148.6	-69.3	-173.4	174.2	-175.4	-1.6	124
1007	K	30	Very low	29.6	Very low	155 Å²	155	142.1 Å²	142.1	67%	0.674	79%	0.785	S	S	*	*			trans	90.3	111.2	133.5	-90	-152.4	171.4	-135.2	0	123.5
1008	E	29.8	Very low	29.3	Very low	159 Å²	159	141.3 Å²	141.3	74%	0.743	78%	0.779	S	S	*	*				64.1	142.1	120.1	-72.7	170.3	-153.1	0	0	124.4
1009	G	28.3	Very low	29.3	Very low	75 Å²	75	143.2 Å²	143.2	77%	0.773	77%	0.774	S	S	*	*			trans	109.8	87.8	163.6	0	0	0	0	0	114.3
1010	R	27.6	Very low	29.4	Very low	225 Å²	225	145.6 Å²	145.6	85%	0.849	77%	0.77	S	S	*	*				80.5	101	63.4	-174.9	-177.7	174.9	-177.2	1.3	114.9
1011	R	31	Very low	29.4	Very low	188 Å²	188	145.2 Å²	145.2	71%	0.709	77%	0.767	S	S	*	*			trans	53.9	166.2	137.7	-61.7	175	166.8	-126.2	10.8	119
1012	E	29.6	Very low	29.4	Very low	142 Å²	142	143.6 Å²	143.6	66%	0.664	75%	0.754	S	S	*	*			cis	-172.7	152.5	-18.5	-96.8	152.7	-174.3	0	0	104.6
1013	S	29.6	Very low	29.2	Very low	100 Å²	100	147.4 Å²	147.4	70%	0.699	75%	0.754	S	S	*	*			cis	-171.2	-176.9	-15.1	64.2	0	0	0	0	109.5
1014	S	30.1	Very low	29.5	Very low	119 Å²	119	148.4 Å²	148.4	83%	0.832	75%	0.751	S	S	*	*			trans	71.2	177	166.2	85.2	0	0	0	0	118.1
1015	A	30.5	Very low	30.1	Very low	83 Å²	83	149 Å²	149	69%	0.686	75%	0.752	S	S	*	*			cis	-173.9	169.2	-46.3	0	0	0	0	0	111.3
1016	K	28.9	Very low	30.2	Very low	204 Å²	204	142.9 Å²	142.9	89%	0.887	74%	0.744	S	S	*	*			trans	68.8	141.2	170.7	-75.3	179.1	176.3	-178.8	0	116.2
1017	A	28.8	Very low	30.3	Very low	90 Å²	90	137.6 Å²	137.6	74%	0.744	74%	0.74	S	S	*	*				80.7	142	53	0	0	0	0	0	112.6
1018	S	28.1	Very low	30.3	Very low	98 Å²	98	135 Å²	135	69%	0.685	74%	0.742	S	S	*	*			cis	-171.1	-178.2	3	37	0	0	0	0	111.3
1019	Q	29	Very low	30.3	Very low	173 Å²	173	133.6 Å²	133.6	81%	0.808	75%	0.745	S	S	*	*			trans	74.2	154.2	156	-78.6	-168.7	-70.4	0	0	119.5
1020	D	28.6	Very low	30.3	Very low	121 Å²	121	133.2 Å²	133.2	65%	0.647	74%	0.741	S	S	*	*			cis	-160.3	167.4	-19.5	-138.8	-38.8	0	0	0	112
1021	S	30.5	Very low	30.4	Very low	100 Å²	100	130.2 Å²	130.2	70%	0.699	74%	0.74	S	S	*	*			trans	60.2	148	163.6	71.1	0	0	0	0	118.4
1022	E	28.1	Very low	30.5	Very low	144 Å²	144	131.7 Å²	131.7	67%	0.673	75%	0.745	S	S	*	*			cis	-164.1	-175.2	-14.3	-113.7	-154.5	94.1	0	0	107
1023	R	27.3	Very low	31	Very low	201 Å²	201	131 Å²	131	76%	0.758	75%	0.753	S	S	*	*			cis	-142	-150.2	6.7	-166.3	155	-82.3	177.2	0.7	108.6
1024	K	32.8	Very low	31.1	Very low	190 Å²	190	130.4 Å²	130.4	83%	0.826	75%	0.749	S	S	*	*			trans	-157.7	-178.5	173.9	-105	178.8	-175.9	175.6	0	108.3
1025	P	45.4	Very low	31.1	Very low	120 Å²	120	135.5 Å²	135.5	78%	0.779	75%	0.751	S	S	*	*			cis	-124.3	-159.3	7.7	46.9	-30.6	0	0	0	111.7
1026	S	29.9	Very low	31	Very low	93 Å²	93	136.2 Å²	136.2	65%	0.65	75%	0.752	S	S	*	*			cis	-156.7	139.6	8.6	51.7	0	0	0	0	113.6
1027	S	32.8	Very low	31.2	Very low	109 Å²	109	133 Å²	133	76%	0.762	75%	0.749	S	S	*	*			trans	43.9	142.4	143.5	54.7	0	0	0	0	122.8
1028	S	29.7	Very low	31.9	Very low	102 Å²	102	134.8 Å²	134.8	71%	0.713	75%	0.753	S	S	*	*			cis	-160.6	140.9	1.9	43.1	0	0	0	0	113.9
1029	T	29.6	Very low	31.9	Very low	129 Å²	129	136 Å²	136	79%	0.791	76%	0.762	S	S	*	*				29.5	136	127.2	-29.4	0	0	0	0	119.2
1030	G	28.2	Very low	31.9	Very low	67 Å²	67	135.6 Å²	135.6	69%	0.691	76%	0.764	S	S	*	*			cis	122.6	163.3	18.2	0	0	0	0	0	110.1
1031	I	29.4	Very low	32	Very low	161 Å²	161	138.2 Å²	138.2	83%	0.826	77%	0.772	S	S	*	*			cis	-161.7	165.1	1.2	-112	161.8	0	0	0	109.7
1032	R	33.2	Very low	31.9	Very low	220 Å²	220	141 Å²	141	83%	0.83	78%	0.78	S	S	*	*			trans	-66.2	164.4	173.5	-112.7	179.7	-173.2	-179.4	2.1	112.9
1033	P	40.3	Very low	31.9	Very low	127 Å²	127	137.4 Å²	137.4	83%	0.825	78%	0.781	S	S	*	*				-155.2	-169.9	90.4	41.3	-20.6	0	0	0	116.5
1034	S	31	Very low	32	Very low	87 Å²	87	133.9 Å²	133.9	61%	0.608	78%	0.782	S	S	*	*			trans	-123.9	-171.6	-176.4	-43.9	0	0	0	0	112
1035	Y	31.7	Very low	31.8	Very low	226 Å²	226	132.2 Å²	132.2	89%	0.886	78%	0.782	S	S	*	*			trans	111.4	175	160.3	-63.7	-71.5	0	0	0	117.7
1036	S	28.8	Very low	31	Very low	99 Å²	99	136.8 Å²	136.8	69%	0.692	78%	0.783	S	S	*	*			trans	-137.1	175.1	-135	-46.8	0	0	0	0	114.3
1037	T	31	Very low	30.9	Very low	135 Å²	135	142.7 Å²	142.7	83%	0.828	79%	0.791	S	S	*	*			trans	65.8	149	167.7	65.1	0	0	0	0	119
1038	P	44.5	Very low	31	Very low	129 Å²	129	144.2 Å²	144.2	84%	0.838	79%	0.786	S	S	*	*			trans	-135.7	165.2	139.9	38.8	-27.8	0	0	0	113.4
1039	S	28.2	Very low	31.1	Very low	123 Å²	123	147.1 Å²	147.1	86%	0.86	79%	0.786	S	S	*	*			trans	-141.4	169	170.8	56.1	0	0	0	0	111.5
1040	L	29.7	Very low	31.1	Very low	165 Å²	165	144.1 Å²	144.1	86%	0.864	78%	0.781	S	S	*	*			trans	-67.9	145.2	-169.3	-62.3	150.2	0	0	0	114.6
1041	Q	30.1	Very low	31.1	Very low	175 Å²	175	147.7 Å²	147.7	82%	0.818	78%	0.784	S	S	*	*				178.4	145.1	105.7	-100.8	-176.3	-35.5	0	0	115.4
1042	D	27.6	Very low	31.2	Very low	159 Å²	159	148.7 Å²	148.7	85%	0.85	78%	0.783	S	S	*	*			trans	37.7	166.9	146.1	-92	-58.8	0	0	0	125.4
1043	G	28.7	Very low	31	Very low	69 Å²	69	142.5 Å²	142.5	71%	0.711	78%	0.778	S	S	*	*			trans	128.2	62.5	149.3	0	0	0	0	0	119.6
1044	T	29.9	Very low	30.5	Very low	126 Å²	126	143 Å²	143	77%	0.773	77%	0.774	S	S	*	*			trans	-35.7	140.4	168.5	49.5	0	0	0	0	118.4
1045	L	28.3	Very low	30.5	Very low	156 Å²	156	146.4 Å²	146.4	82%	0.817	78%	0.778	S	S	*	*				174.3	153.8	113	-92.9	170.6	0	0	0	118.1
1046	R	28.9	Very low	30.3	Very low	216 Å²	216	140.6 Å²	140.6	82%	0.815	76%	0.762	S	S	*	*			trans	-19.6	134.5	164.4	-78.5	176.5	178.2	-165.5	-0.4	119.2
1047	R	27.9	Very low	30.2	Very low	217 Å²	217	144 Å²	144	82%	0.819	77%	0.767	S	S	*	*				67.4	148.1	86.7	-102.9	-157.9	-176.2	-167.8	1.5	113.9
1048	Q	33.3	Very low	30	Very low	141 Å²	141	145.9 Å²	145.9	66%	0.659	77%	0.766	S	S	*	*			cis	-173.9	-174.4	-11.1	-137	-177	-9.7	0	0	106.8
1049	K	33.8	Very low	29.1	Very low	162 Å²	162	144.2 Å²	144.2	70%	0.704	76%	0.757	S	S	*	*			cis	-162.4	151.7	-0.1	-179.4	-174	178.5	-174.9	0	106.5
1050	G	28.7	Very low	29	Very low	66 Å²	66	143.2 Å²	143.2	68%	0.68	75%	0.75	S	S	*	*			trans	-153.2	23.6	-174.8	0	0	0	0	0	122.1
1051	D	27.3	Very low	28.8	Very low	142 Å²	142	144.6 Å²	144.6	76%	0.759	75%	0.752	S	S	*	*			trans	175.7	136.3	151.2	-89.3	-26.9	0	0	0	108
1052	K	32.1	Very low	28.8	Very low	183 Å²	183	140.4 Å²	140.4	80%	0.796	75%	0.748	S	S	*	*			cis	83.2	126.8	27.1	-71	-172.4	174	179.8	0	113.8
1053	A	29.3	Very low	28.9	Very low	90 Å²	90	138.7 Å²	138.7	74%	0.744	74%	0.739	S	S	*	*			cis	-165.5	176.9	-13.6	0	0	0	0	0	108.3
1054	N	30.6	Very low	28.7	Very low	138 Å²	138	143.1 Å²	143.1	74%	0.738	74%	0.738	S	S	*	*			cis	-164.3	172.9	-1.6	-149.3	21.8	0	0	0	111
1055	K	30	Very low	28.6	Very low	157 Å²	157	142 Å²	142	68%	0.683	74%	0.736	S	S	*	*			trans	66.9	155.5	157.6	-68.8	-152	159.9	-113.2	0	120.2
1056	D	28.4	Very low	28.7	Very low	105 Å²	105	143.6 Å²	143.6	56%	0.561	74%	0.736	S	S	*	*			cis	-169.6	169.9	-30.7	-101.9	-15.2	0	0	0	111.6
1057	H	26.7	Very low	28.5	Very low	169 Å²	169	138.8 Å²	138.8	78%	0.782	73%	0.731	S	S	*	*			trans	92.7	166.6	154.3	-68.6	-52.7	0	0	0	122.6
1058	H	26.9	Very low	28.4	Very low	176 Å²	176	135 Å²	135	82%	0.815	73%	0.732	S	S	*	*			trans	-154.5	160	-142.9	-115.5	-91.6	0	0	0	111.6
1059	S	24.4	Very low	28	Very low	93 Å²	93	136 Å²	136	65%	0.65	73%	0.734	S	S	*	*			trans	61.9	117.9	142.9	67.1	0	0	0	0	124.1
1060	S	26	Very low	27.6	Very low	103 Å²	103	133.9 Å²	133.9	72%	0.72	73%	0.73	S	S	*	*				83.7	148.9	116.9	67.5	0	0	0	0	124.7
1061	E	26.3	Very low	27.4	Very low	193 Å²	193	139.6 Å²	139.6	90%	0.902	74%	0.739	S	S	*	*			trans	72.4	140.7	162.6	-70.2	-178.3	172.2	0	0	118.3
1062	A	30.1	Very low	27.4	Very low	87 Å²	87	139 Å²	139	72%	0.719	74%	0.741	S	S	*	*			cis	-148.5	-146.8	-7.9	0	0	0	0	0	109.3
1063	D	28.7	Very low	27.5	Very low	124 Å²	124	135.8 Å²	135.8	66%	0.663	74%	0.738	S	S	*	*			cis	-168.3	177.2	6.5	-158.2	-1	0	0	0	113.1
1064	K	25.7	Very low	27.3	Very low	161 Å²	161	140.7 Å²	140.7	70%	0.7	74%	0.743	S	S	*	*			trans	58.9	89.2	149.7	-82.6	172.1	-174.4	81.7	0	123.5
1065	S	28.1	Very low	27.1	Very low	104 Å²	104	139.4 Å²	139.4	73%	0.727	75%	0.745	S	S	*	*				68	129.3	110.2	71.8	0	0	0	0	125.8
1066	K	28.7	Very low	26.8	Very low	188 Å²	188	140.1 Å²	140.1	82%	0.817	75%	0.751	S	S	*	*			trans	91.4	99.8	130.4	-90.6	-174.1	174.3	-178.3	0	124.1
1067	T	25.8	Very low	26.6	Very low	115 Å²	115	141.2 Å²	141.2	71%	0.706	76%	0.757	S	S	*	*				63.9	120.6	123.9	53.3	0	0	0	0	123.4
1068	T	25.4	Very low	26.6	Very low	138 Å²	138	138.4 Å²	138.4	85%	0.847	76%	0.756	S	S	*	*			trans	144.7	146.4	139.1	42.8	0	0	0	0	110.4
1069	K	25.9	Very low	26.7	Very low	162 Å²	162	137.4 Å²	137.4	70%	0.704	76%	0.756	S	S	*	*			cis	-163.3	162.6	-26.2	-152.8	-179.9	162	-79.6	0	108.6
1070	D	24.8	Very low	26.9	Very low	117 Å²	117	140 Å²	140	63%	0.626	76%	0.762	S	S	*	*			trans	74.7	132	154.5	-62.4	-35.4	0	0	0	124.5
1071	E	23.4	Very low	26.9	Very low	186 Å²	186	139.7 Å²	139.7	87%	0.869	76%	0.76	S	S	*	*			trans	74.9	150.5	147.3	-62.1	-125.7	125.4	0	0	124.6
1072	V	28.5	Very low	26.9	Very low	131 Å²	131	137.8 Å²	137.8	79%	0.794	75%	0.749	S	S	*	*			trans	-149.8	138.7	-174.7	171.8	0	0	0	0	109.6
1073	P	33.4	Very low	26.7	Very low	114 Å²	114	140.7 Å²	140.7	74%	0.74	75%	0.751	S	S	*	*			trans	-137.7	118.7	152.5	28.2	-9.1	0	0	0	116.6
1074	K	25.3	Very low	26.5	Very low	193 Å²	193	144.8 Å²	144.8	84%	0.839	76%	0.763	S	S	*	*				38.5	118.1	123.6	-54.6	167.9	-175.1	170.4	0	121.1
1075	S	26	Very low	26.4	Very low	112 Å²	112	140 Å²	140	78%	0.783	76%	0.759	S	S	*	*				173.4	117.5	124.5	56	0	0	0	0	110
1076	Q	25.3	Very low	26.3	Very low	171 Å²	171	142.2 Å²	142.2	80%	0.799	76%	0.763	S	S	*	*				58.6	107.3	82.5	-81.4	-160.3	-93.7	0	0	117.5
1077	D	23.6	Very low	26.1	Very low	129 Å²	129	142 Å²	142	69%	0.69	76%	0.763	S	S	*	*			trans	73.6	142.2	132.5	-58.2	-39.7	0	0	0	125.1
1078	S	26.2	Very low	26.2	Very low	109 Å²	109	142.5 Å²	142.5	76%	0.762	76%	0.76	S	S	*	*			trans	86.8	90.1	152.8	69	0	0	0	0	122.2
1079	L	29.7	Very low	26.4	Very low	155 Å²	155	143.2 Å²	143.2	81%	0.812	75%	0.752	S	S	*	*				50.9	126.4	124.2	-70.9	164.4	0	0	0	123.5
1080	L	27.4	Very low	26.4	Very low	148 Å²	148	144.2 Å²	144.2	78%	0.775	76%	0.756	S	S	*	*			trans	71.9	106.5	138	-68.9	168.9	0	0	0	121.5
1081	S	27.6	Very low	26.5	Very low	97 Å²	97	143.7 Å²	143.7	68%	0.678	75%	0.753	S	S	*	*				153.8	128.7	104.8	-75.4	0	0	0	0	117.8
1082	F	26	Very low	26.8	Very low	153 Å²	153	143.2 Å²	143.2	67%	0.671	75%	0.748	S	S	*	*			trans	68.7	143	138.8	-86.8	-80.6	0	0	0	124.7
1083	L	24.6	Very low	26.8	Very low	148 Å²	148	143.4 Å²	143.4	78%	0.775	75%	0.745	S	S	*	*			trans	79	102.5	153.8	-69.8	170.3	0	0	0	122.1
1084	K	24.5	Very low	26.6	Very low	209 Å²	209	143.1 Å²	143.1	91%	0.909	75%	0.745	S	S	*	*				45.5	125.5	118.6	-110.5	-173.3	177.5	-174.4	0	120.2
1085	G	24.6	Very low	26.8	Very low	60 Å²	60	143 Å²	143	62%	0.619	74%	0.744	S	S	*	*			trans	163.1	121.9	142.4	0	0	0	0	0	119.5
1086	N	24.8	Very low	26.9	Very low	151 Å²	151	146.9 Å²	146.9	81%	0.807	75%	0.748	S	S	*	*			trans	70.9	158.4	146.5	-51.8	-12.3	0	0	0	117
1087	F	25.1	Very low	27	Very low	185 Å²	185	143.2 Å²	143.2	81%	0.811	74%	0.74	S	S	*	*				-138.5	137.9	55.7	-101.4	-126.9	0	0	0	111.8
1088	L	28.2	Very low	27.3	Very low	125 Å²	125	145 Å²	145	65%	0.654	74%	0.742	S	S	*	*				75.3	145.6	79.4	-82.2	160	0	0	0	113.8
1089	K	29.9	Very low	27.3	Very low	153 Å²	153	146.1 Å²	146.1	67%	0.665	74%	0.74	S	S	*	*			cis	-162.6	171	13	-161.5	-178.7	178.5	-135.3	0	111.8	D1091	K1089-D1091 WeakPolarHBondContact CE-OD1 3.18Å; K1089-D1091 IonicContact NZ-OD1 3.52Å; K1089-D1091 PolarHBondContact NZ-OD1 2.96Å; K1089-D1091 IonicContact NZ-OD2 3.6Å; K1089-D1091 PolarHBondContact NZ-OD2 3.27Å
1090	K	24.3	Very low	27.2	Very low	183 Å²	183	142.3 Å²	142.3	80%	0.796	74%	0.737	S	S	*	*				147	98.9	126.2	-161.9	163.1	-166.3	176.6	0	112.8
1091	D	28.2	Very low	27.1	Very low	105 Å²	105	144 Å²	144	56%	0.561	74%	0.741	S	S	*	*				75.6	142.1	95.2	-51.5	-21	0	0	0	112.5	K1089	K1089-D1091 WeakPolarHBondContact CE-OD1 3.18Å; K1089-D1091 IonicContact NZ-OD1 3.52Å; K1089-D1091 PolarHBondContact NZ-OD1 2.96Å; K1089-D1091 IonicContact NZ-OD2 3.6Å; K1089-D1091 PolarHBondContact NZ-OD2 3.27Å
1092	K	28.5	Very low	27.3	Very low	177 Å²	177	144 Å²	144	77%	0.77	74%	0.742	S	S	*	*			cis	-172.3	145.3	38.4	-178.2	175.3	176.7	-176.2	0	115.6
1093	D	29.4	Very low	27.4	Very low	135 Å²	135	139.9 Å²	139.9	72%	0.722	74%	0.742	S	S	*	*			trans	42.2	156.5	156.1	-46.4	-21.4	0	0	0	123.3
1094	S	28.8	Very low	27.6	Very low	107 Å²	107	142.6 Å²	142.6	75%	0.748	75%	0.748	S	S	*	*			cis	-165.8	151.5	23.4	79	0	0	0	0	118.8
1095	K	30.6	Very low	27.6	Very low	190 Å²	190	142.3 Å²	142.3	83%	0.826	75%	0.747	S	S	*	*			trans	60.2	124.3	142.2	-74.7	178.3	178.6	171.9	0	127.7
1096	K	28.3	Very low	27.8	Very low	195 Å²	195	143.2 Å²	143.2	85%	0.848	76%	0.756	S	S	*	*			trans	61.2	156.8	131.2	-76.7	-159.7	172.1	-171.5	0	122.6
1097	S	27.3	Very low	27.9	Very low	93 Å²	93	139.5 Å²	139.5	65%	0.65	75%	0.754	S	S	*	*			cis	-175.9	149.1	-20.8	55.2	0	0	0	0	116.5
1098	K	29.8	Very low	28	Very low	168 Å²	168	139.2 Å²	139.2	73%	0.73	76%	0.755	S	S	*	*			trans	74.5	142.2	142.3	-99.3	-172.1	150.5	-73.7	0	124
1099	D	25.4	Very low	28	Very low	132 Å²	132	141.7 Å²	141.7	71%	0.706	76%	0.763	S	S	*	*			trans	57.6	153.1	150.6	-48.9	-22.5	0	0	0	120.6
1100	G	26.9	Very low	27.8	Very low	74 Å²	74	143.3 Å²	143.3	76%	0.763	77%	0.773	S	S	*	*			cis	177.8	160.7	-5.4	0	0	0	0	0	114.7
1101	E	26.9	Very low	28	Very low	183 Å²	183	138 Å²	138	86%	0.855	77%	0.77	S	S	*	*			trans	-29.8	175	169.8	-75.3	-160.8	72.7	0	0	122.3
1102	S	31	Very low	28	Very low	98 Å²	98	143 Å²	143	69%	0.685	78%	0.781	S	S	*	*			cis	179.1	172.1	-26.9	70.3	0	0	0	0	110.1
1103	G	28	Very low	27.9	Very low	67 Å²	67	143.7 Å²	143.7	69%	0.691	78%	0.779	S	S	*	*			trans	125.1	150	139.5	0	0	0	0	0	121.2
1104	K	28.2	Very low	27.7	Very low	205 Å²	205	143 Å²	143	89%	0.891	78%	0.779	S	S	*	*			trans	77.2	141.3	169.5	-63.8	174.6	-178.3	167.9	0	116.8
1105	K	26.2	Very low	27.4	Very low	202 Å²	202	142.8 Å²	142.8	88%	0.878	78%	0.778	S	S	*	*			cis	-151.8	148.8	5.1	-143.7	-174.9	178	-167.8	0	113.4
1106	G	28.1	Very low	27.2	Very low	80 Å²	80	139.1 Å²	139.1	83%	0.825	78%	0.776	S	S	*	*			trans	84.9	134.1	168	0	0	0	0	0	114.5
1107	G	26.4	Very low	27.1	Very low	73 Å²	73	140.7 Å²	140.7	75%	0.753	78%	0.777	S	S	*	*			cis	146.9	141.7	-0.9	0	0	0	0	0	110.5
1108	E	26.6	Very low	26.9	Very low	178 Å²	178	144.1 Å²	144.1	83%	0.832	79%	0.785	S	S	*	*			cis	-144.6	152.9	-0.2	-74.6	170.1	150.5	0	0	109.6
1109	E	28.5	Very low	26.6	Very low	177 Å²	177	139.6 Å²	139.6	83%	0.827	77%	0.774	S	S	*	*			trans	41.2	148.9	141.6	-59.4	-173.7	149.8	0	0	121.9
1110	E	27	Very low	26.8	Very low	187 Å²	187	140.8 Å²	140.8	87%	0.874	78%	0.78	S	S	*	*			cis	-154.9	-162.6	4.6	-138.6	-158.6	148.7	0	0	109.8
1111	G	28.1	Very low	27	Very low	71 Å²	71	142 Å²	142	73%	0.732	77%	0.774	S	S	*	*			trans	112.9	74.4	150.8	0	0	0	0	0	119.2
1112	R	28.1	Very low	26.9	Very low	210 Å²	210	140.9 Å²	140.9	79%	0.792	77%	0.774	S	S	*	*			trans	-48.2	153	167.1	-96.1	173.6	168.4	171.3	-1.3	117.2
1113	R	26.4	Very low	26.8	Very low	192 Å²	192	139.4 Å²	139.4	73%	0.725	78%	0.775	S	S	*	*			trans	81.7	138.7	136.4	-79.2	171.4	177.3	177.9	-2.6	122.2
1114	T	24.7	Very low	26.6	Very low	120 Å²	120	141.1 Å²	141.1	74%	0.736	78%	0.782	S	S	*	*			trans	58.6	133	139.9	56.7	0	0	0	0	122.8
1115	S	23.8	Very low	26.5	Very low	104 Å²	104	136.1 Å²	136.1	73%	0.727	78%	0.779	S	S	*	*	S	Bend	trans	20.4	117.2	131.5	-49.2	0	0	0	0	120.5
1116	S	25.2	Very low	26.4	Very low	112 Å²	112	130.5 Å²	130.5	78%	0.783	78%	0.779	S	S	*	*			trans	75.8	156	153.6	83.3	0	0	0	0	118.7
1117	R	25.8	Very low	26.4	Very low	228 Å²	228	130.1 Å²	130.1	86%	0.86	77%	0.774	S	S	*	*			trans	69.4	120.3	-177.9	-67.5	-170.3	160.6	164.8	-4.8	113.3
1118	M	23.4	Very low	26.7	Very low	166 Å²	166	138 Å²	138	82%	0.818	78%	0.781	S	S	*	*				70.1	130.8	89.7	-56	-116.4	102	0	0	111.8
1119	S	24.9	Very low	26.8	Very low	72 Å²	72	136.7 Å²	136.7	50%	0.503	79%	0.786	S	S	.	*			cis	-169.3	144.3	3.9	-112.7	0	0	0	0	113.2
1120	L	28.1	Very low	27	Very low	158 Å²	158	131.3 Å²	131.3	83%	0.827	78%	0.778	S	S	*	*			trans	61.9	-174.2	143.6	-60	170	0	0	0	115.9
1121	P	31.5	Very low	27.1	Very low	99 Å²	99	128.8 Å²	128.8	64%	0.643	78%	0.775	S	S	*	*			cis	-118.5	-161.2	-24.8	14.7	9.9	0	0	0	111.7
1122	N	24.7	Very low	27.4	Very low	159 Å²	159	134.5 Å²	134.5	85%	0.85	78%	0.783	S	S	*	*	S	Bend	trans	70.9	104.7	164.4	-52.5	-18.6	0	0	0	116.3
1123	G	30.1	Very low	27.7	Very low	68 Å²	68	127.4 Å²	127.4	70%	0.701	78%	0.776	S	S	*	*			cis	-154	154.6	-9.9	0	0	0	0	0	109.3
1124	A	23.4	Very low	27.9	Very low	102 Å²	102	123.2 Å²	123.2	84%	0.843	78%	0.776	S	S	*	*			cis	64.3	133.5	34.8	0	0	0	0	0	113.4
1125	A	24.6	Very low	28.6	Very low	100 Å²	100	126.1 Å²	126.1	83%	0.826	78%	0.778	S	S	*	*			cis	-165.3	156.4	-15.1	0	0	0	0	0	110.6
1126	G	25.2	Very low	29.1	Very low	85 Å²	85	126 Å²	126	88%	0.876	78%	0.777	S	S	*	*			trans	69.7	-179.1	165.2	0	0	0	0	0	116.3
1127	G	27.6	Very low	29.5	Very low	71 Å²	71	127.5 Å²	127.5	73%	0.732	78%	0.776	S	S	*	*			cis	143.9	115.3	-14.2	0	0	0	0	0	114.9
1128	R	32.3	Very low	29.8	Very low	238 Å²	238	120.9 Å²	120.9	90%	0.898	77%	0.765	S	S	*	*			trans	65.5	153	176.7	-66.4	175.9	144.4	-168.3	-7.1	115.8
1129	T	29.2	Very low	30.2	Very low	151 Å²	151	118.5 Å²	118.5	93%	0.926	77%	0.765	S	S	*	*			trans	61.2	156.4	179.1	62.1	0	0	0	0	114.8
1130	G	31.9	Very low	30.4	Very low	65 Å²	65	118.5 Å²	118.5	67%	0.67	78%	0.776	S	S	*	*			cis	156.6	138.6	-13.2	0	0	0	0	0	112
1131	V	30.6	Very low	30.6	Very low	134 Å²	134	121.3 Å²	121.3	81%	0.812	78%	0.776	S	S	*	*			trans	69.2	143.5	174.1	-177	0	0	0	0	115.5
1132	E	34	Very low	30.6	Very low	190 Å²	190	124.4 Å²	124.4	89%	0.888	77%	0.774	S	S	*	*			trans	57.2	155.5	171.4	-77.8	170.1	-162.3	0	0	119.2
1133	G	33.5	Very low	31	Very low	62 Å²	62	121.7 Å²	121.7	64%	0.639	76%	0.763	S	S	*	*			cis	163.5	130.8	-14.2	0	0	0	0	0	114.1
1134	S	31.6	Very low	31	Very low	104 Å²	104	124.4 Å²	124.4	73%	0.727	76%	0.762	S	S	*	*			trans	63.2	169.1	168.4	-64.5	0	0	0	0	116.2
1135	K	39.6	Very low	31.2	Very low	181 Å²	181	127.5 Å²	127.5	79%	0.787	76%	0.759	S	S	*	*			cis	-155.9	154.8	-30	-101.9	159.1	-164.2	163	0	104.6
1136	S	33.8	Very low	31.4	Very low	102 Å²	102	130.4 Å²	130.4	71%	0.713	76%	0.76	S	S	*	*	S	Bend	cis	-155.4	149	11.5	41.2	0	0	0	0	108.2
1137	N	34.4	Very low	31.6	Very low	142 Å²	142	130.6 Å²	130.6	76%	0.759	75%	0.753	S	S	*	*			cis	-163.4	163.8	1	-101.2	-7	0	0	0	107.6
1138	S	32	Very low	31.6	Very low	89 Å²	89	135.5 Å²	135.5	62%	0.622	76%	0.763	S	S	*	*			cis	-167.6	169.5	-11.7	48.9	0	0	0	0	109.7
1139	S	30.5	Very low	31.3	Very low	117 Å²	117	128 Å²	128	82%	0.818	76%	0.759	S	S	*	*			trans	51.7	121.3	157.6	57.1	0	0	0	0	120.5
1140	G	30.7	Very low	31.1	Very low	71 Å²	71	130.8 Å²	130.8	73%	0.732	76%	0.759	S	S	*	*			cis	154	147.7	-13.7	0	0	0	0	0	115.9
1141	R	31.4	Very low	30.9	Very low	218 Å²	218	136.3 Å²	136.3	82%	0.823	77%	0.772	S	S	*	*			trans	63.5	153.5	159.6	-67.2	-162.2	166	-161.6	-1.5	118.7
1142	R	32	Very low	30.6	Very low	164 Å²	164	133.2 Å²	133.2	62%	0.619	77%	0.767	S	S	*	*			cis	-154.8	153.8	-11.6	-112.5	-167.6	164.8	-161.7	-3.4	107.9	D1144	R1142-D1144 IonicContact NH1-OD2 3.91Å
1143	T	32.8	Very low	30.3	Very low	101 Å²	101	135.8 Å²	135.8	62%	0.62	77%	0.769	S	S	*	*				46.1	157.4	84	81.3	0	0	0	0	114.6
1144	D	29.1	Very low	30.1	Very low	125 Å²	125	138.1 Å²	138.1	67%	0.668	78%	0.776	S	S	*	*			cis	-143.1	-157	14.6	-58.3	-87.9	0	0	0	109.2	R1142	R1142-D1144 IonicContact NH1-OD2 3.91Å
1145	E	29	Very low	29.9	Very low	168 Å²	168	140.3 Å²	140.3	79%	0.785	79%	0.785	S	S	*	*				-147.5	152.3	-88.3	-179.7	157.5	-87.3	0	0	114.2
1146	L	28.8	Very low	29.5	Very low	160 Å²	160	135.9 Å²	135.9	84%	0.838	78%	0.782	S	S	*	*			trans	56.1	154.2	162.7	-79.6	170	0	0	0	125.1
1147	A	29.6	Very low	29.3	Very low	90 Å²	90	138 Å²	138	74%	0.744	79%	0.785	S	S	*	*			trans	95.8	123.4	146.5	0	0	0	0	0	123.6
1148	N	26.9	Very low	29	Very low	174 Å²	174	137.4 Å²	137.4	93%	0.93	78%	0.78	S	S	*	*			trans	38.4	125.4	150.2	-72.1	-14.6	0	0	0	123
1149	G	25.8	Very low	28.9	Very low	80 Å²	80	143.5 Å²	143.5	83%	0.825	79%	0.79	S	S	*	*			trans	-177.1	144.2	161.3	0	0	0	0	0	114.9
1150	K	25.9	Very low	28.7	Very low	209 Å²	209	149.2 Å²	149.2	91%	0.909	79%	0.793	S	S	*	*			trans	-82.8	165.6	174.9	-78.8	178	175.5	173.4	0	112.3
1151	L	26.3	Very low	28.4	Very low	181 Å²	181	150.2 Å²	150.2	95%	0.948	79%	0.79	S	S	*	*			trans	89.5	120.6	148.4	-148.5	80.5	0	0	0	118.1
1152	G	25.2	Very low	28.3	Very low	70 Å²	70	149 Å²	149	72%	0.722	79%	0.793	S	S	*	*			trans	136.5	97.2	154.9	0	0	0	0	0	119
1153	R	28.3	Very low	27.9	Very low	244 Å²	244	147 Å²	147	92%	0.921	80%	0.804	S	S	*	*			trans	54.8	110.5	149.8	-66.5	-175.5	170.9	-161.9	-3.1	121.3
1154	S	27.7	Very low	27.7	Very low	111 Å²	111	148.4 Å²	148.4	78%	0.776	82%	0.818	S	S	*	*				57.8	102.4	122.8	176.8	0	0	0	0	121
1155	T	29.1	Very low	27.8	Very low	150 Å²	150	147.2 Å²	147.2	92%	0.92	82%	0.819	S	S	*	*				-167.1	167.3	124.8	10.8	0	0	0	0	110.3
1156	A	30.9	Very low	27.6	Very low	88 Å²	88	147.1 Å²	147.1	73%	0.727	82%	0.824	S	S	*	*			trans	-135	120.3	179.6	0	0	0	0	0	112.3
1157	D	27.9	Very low	27.7	Very low	146 Å²	146	147.2 Å²	147.2	78%	0.781	82%	0.824	S	S	*	*				33.6	148.3	109.2	-76.2	5.7	0	0	0	120.7
1158	I	29.2	Very low	27.6	Very low	129 Å²	129	148.7 Å²	148.7	66%	0.662	83%	0.826	S	S	*	*			cis	-177.3	158.2	-12	-156.1	178	0	0	0	105.4
1159	R	29.3	Very low	27.6	Very low	217 Å²	217	146.1 Å²	146.1	82%	0.819	82%	0.817	S	S	*	*			cis	-124.9	-169.2	17.4	-77.5	168.3	-171.6	-175.2	1	109.4
1160	R	27.3	Very low	27.6	Very low	237 Å²	237	149.8 Å²	149.8	89%	0.894	81%	0.81	S	S	*	*			cis	65.2	139.5	33.8	-87.4	-177.5	178.9	176.6	-0.2	114.1
1161	S	24.7	Very low	27.5	Very low	93 Å²	93	144.1 Å²	144.1	65%	0.65	80%	0.802	S	S	*	*			cis	-166	157.6	7.6	34.3	0	0	0	0	116.2
1162	Q	27.6	Very low	27.5	Very low	193 Å²	193	143.5 Å²	143.5	90%	0.902	79%	0.794	S	S	*	*			trans	78.6	165.7	147.4	-83.6	173.8	-23.2	0	0	122.4
1163	S	25.2	Very low	27.5	Very low	120 Å²	120	147.4 Å²	147.4	84%	0.839	79%	0.794	S	S	*	*			trans	-146.7	152.8	-162.7	-32.9	0	0	0	0	111.7
1164	S	27.6	Very low	27.5	Very low	131 Å²	131	140.3 Å²	140.3	92%	0.916	78%	0.781	S	S	*	*			trans	-168	170.7	151.7	53.7	0	0	0	0	111.3
1165	S	31.1	Very low	27.7	Very low	100 Å²	100	140.6 Å²	140.6	70%	0.699	77%	0.773	S	S	*	*			trans	-125.9	147.8	-170.5	54.2	0	0	0	0	112.7
1166	N	25	Very low	27.8	Very low	166 Å²	166	140.8 Å²	140.8	89%	0.888	76%	0.757	S	S	*	*			trans	-177.8	169.2	143.2	-93	-23.3	0	0	0	111.8
1167	I	31.2	Very low	27.9	Very low	162 Å²	162	147.7 Å²	147.7	83%	0.831	76%	0.764	S	S	*	*			trans	-121.1	133	-175	-66.1	165.6	0	0	0	109.3
1168	P	28.1	Very low	28.2	Very low	122 Å²	122	146.9 Å²	146.9	79%	0.792	77%	0.765	S	S	*	*				-145.3	171.6	120	35.9	-19	0	0	0	115.8
1169	T	25.9	Very low	28.4	Very low	119 Å²	119	144.8 Å²	144.8	73%	0.73	77%	0.766	S	S	*	*			trans	-69.5	146.3	-177	55.7	0	0	0	0	115.7
1170	K	25.6	Very low	28.5	Very low	158 Å²	158	139.8 Å²	139.8	69%	0.687	77%	0.765	S	S	*	*				170.3	166.9	117.5	-96.5	174.3	178.1	177.7	0	115.2
1171	A	24.2	Very low	28.7	Very low	89 Å²	89	135.8 Å²	135.8	74%	0.736	76%	0.76	S	S	*	*			trans	-41.5	143	179.5	0	0	0	0	0	121.2
1172	E	27.3	Very low	29.1	Very low	169 Å²	169	139.4 Å²	139.4	79%	0.79	77%	0.767	S	S	*	*			trans	67.3	162.7	131.3	-124.1	179	-110.5	0	0	124.4
1173	Q	25.1	Very low	29.4	Very low	152 Å²	152	140.3 Å²	140.3	71%	0.71	76%	0.762	S	S	*	*			trans	73.4	86.2	158	-67	177.7	34	0	0	122.6
1174	S	26.9	Very low	29.6	Very low	94 Å²	94	141.4 Å²	141.4	66%	0.657	76%	0.758	S	S	*	*				60	135.1	109.2	72.2	0	0	0	0	124.9
1175	I	32.9	Very low	29.6	Very low	118 Å²	118	138.5 Å²	138.5	61%	0.605	75%	0.749	S	S	*	*			trans	97	102	142.2	-68.8	157.7	0	0	0	122.1
1176	R	31.1	Very low	29.4	Very low	153 Å²	153	142.8 Å²	142.8	58%	0.577	76%	0.76	S	S	*	*			trans	38.8	137.9	131.1	-57.8	173.2	158.3	171	-7.5	123.9
1177	R	33.3	Very low	29.6	Very low	233 Å²	233	139.2 Å²	139.2	88%	0.879	75%	0.748	S	S	*	*				177.5	126.7	117	-95.7	168.1	-177.7	178.5	2	111.4
1178	T	32.7	Very low	29.3	Very low	129 Å²	129	138.4 Å²	138.4	79%	0.791	75%	0.751	S	S	*	*				65.6	144.8	82.6	63.6	0	0	0	0	117.3
1179	A	33.8	Very low	29.3	Very low	85 Å²	85	139 Å²	139	70%	0.702	75%	0.753	S	S	*	*			cis	-177.6	176.8	-15.4	0	0	0	0	0	113.2
1180	S	32.9	Very low	30.4	Very low	112 Å²	112	139.6 Å²	139.6	78%	0.783	76%	0.758	S	S	*	*			trans	66.5	173.3	161.9	50	0	0	0	0	118.9
1181	L	31.6	Very low	30.2	Very low	153 Å²	153	135.5 Å²	135.5	80%	0.801	76%	0.762	S	S	*	*			cis	-143.5	-150	27.2	-89.4	173.4	0	0	0	115.8
1182	H	32	Very low	30.4	Very low	170 Å²	170	139 Å²	139	79%	0.787	76%	0.763	S	S	*	*			trans	-99.6	-164	-168.6	-59.5	-79.8	0	0	0	115.9
1183	R	33.4	Very low	30.3	Very low	212 Å²	212	141.4 Å²	141.4	80%	0.8	76%	0.764	S	S	*	*			cis	-170.1	166.3	11.9	-143.6	-174.1	162.8	157.1	-1.7	114.5
1184	N	30.3	Very low	30.3	Very low	143 Å²	143	141.2 Å²	141.2	77%	0.765	77%	0.767	S	S	*	*			trans	64.1	160.1	157.4	-60.3	-16	0	0	0	120.6
1185	G	26.7	Very low	30.2	Very low	70 Å²	70	142.4 Å²	142.4	72%	0.722	77%	0.771	S	S	*	*			cis	164	145.1	-15.6	0	0	0	0	0	116.6
1186	M	28	Very low	29.9	Very low	190 Å²	190	142.1 Å²	142.1	94%	0.936	78%	0.78	S	S	*	*			trans	68.5	161.9	164.8	-68.7	167	63.4	0	0	121
1187	S	29.2	Very low	29.6	Very low	90 Å²	90	140.6 Å²	140.6	63%	0.629	78%	0.783	S	S	*	*			cis	179.8	139.6	-42.3	58.5	0	0	0	0	113.6
1188	T	23.6	Very low	29.3	Very low	146 Å²	146	137.4 Å²	137.4	90%	0.896	78%	0.775	S	S	*	*			trans	-174.7	163.1	149.8	21.1	0	0	0	0	114.7
1189	T	28.9	Very low	28.9	Very low	135 Å²	135	140.9 Å²	140.9	83%	0.828	78%	0.783	S	S	*	*			trans	-138.8	-169.6	-178.7	54.1	0	0	0	0	109.3
1190	P	48.1	Very low	28.6	Very low	130 Å²	130	142.4 Å²	142.4	84%	0.844	79%	0.788	S	S	*	*			cis	-142.6	-172.6	8.1	44.8	-24.3	0	0	0	117.7
1191	G	22.7	Very low	28.3	Very low	73 Å²	73	145.8 Å²	145.8	75%	0.753	79%	0.791	S	S	*	*			trans	-179.7	155.1	169.3	0	0	0	0	0	113
1192	Q	28.1	Very low	28	Very low	163 Å²	163	144.2 Å²	144.2	76%	0.762	79%	0.793	S	S	*	*			trans	-133.3	145.4	-170.1	-100.3	-162.6	36.3	0	0	116.6
1193	R	24	Very low	27.8	Very low	218 Å²	218	142 Å²	142	82%	0.823	79%	0.791	S	S	*	*			trans	77.1	152.9	145.4	-76.3	-176.9	-173.5	-138.5	-2	122.4
1194	L	26	Very low	27.6	Very low	148 Å²	148	140.5 Å²	140.5	78%	0.775	80%	0.798	S	S	*	*			trans	88.1	108.6	156.7	-71.8	164.7	0	0	0	121.9
1195	T	25.1	Very low	27.3	Very low	119 Å²	119	142.1 Å²	142.1	73%	0.73	80%	0.801	S	S	*	*			trans	68.3	136.3	133.4	52.5	0	0	0	0	124.4
1196	S	25.5	Very low	27.3	Very low	113 Å²	113	150.5 Å²	150.5	79%	0.79	81%	0.811	S	S	*	*			trans	103.8	138.2	136.4	77	0	0	0	0	121
1197	D	25.7	Very low	27.1	Very low	120 Å²	120	146.9 Å²	146.9	64%	0.642	80%	0.796	S	S	*	*			trans	64.9	119.7	149.6	-97.2	14.9	0	0	0	125.2
1198	K	26.1	Very low	27	Very low	166 Å²	166	154.3 Å²	154.3	72%	0.722	81%	0.81	S	S	*	*			trans	47.2	106.2	130.8	-60.4	178.7	-173.1	77.6	0	118.5	S1200	K1198-S1200 PolarHBondContact O-N 2.72Å
1199	Q	25.2	Very low	27	Very low	203 Å²	203	157.2 Å²	157.2	95%	0.949	81%	0.806	S	S	*	*			trans	-62	130.3	157	-69.9	177.2	-30.3	0	0	111
1200	S	26.6	Very low	26.8	Very low	116 Å²	116	155.6 Å²	155.6	81%	0.811	80%	0.8	S	S	*	*			trans	-104.9	151.3	171.3	55.9	0	0	0	0	111.1	K1198	K1198-S1200 PolarHBondContact O-N 2.72Å
1201	H	26.6	Very low	25.8	Very low	184 Å²	184	156 Å²	156	85%	0.852	80%	0.801	S	S	*	*			trans	-77	137.1	-177	-72.1	-89.4	0	0	0	112.7
1202	S	25.4	Very low	25.8	Very low	120 Å²	120	159.8 Å²	159.8	84%	0.839	80%	0.803	S	S	*	*			trans	-142.2	131.9	140.2	62.5	0	0	0	0	109.8
1203	T	28.8	Very low	25.8	Very low	123 Å²	123	157.5 Å²	157.5	76%	0.755	81%	0.805	S	S	*	*			trans	-117.5	122.9	-176.8	30.9	0	0	0	0	110.2	Q1205	T1203-Q1205 PolarHBondContact O-N 2.67Å
1204	L	28.8	Very low	26	Very low	180 Å²	180	155.7 Å²	155.7	94%	0.942	81%	0.811	S	S	*	*			trans	-69.5	118.3	174.7	-76.4	166.5	0	0	0	110.3
1205	Q	24.6	Very low	25.9	Very low	177 Å²	177	152.3 Å²	152.3	83%	0.827	81%	0.811	S	S	*	*			trans	-72.2	139.1	175.4	-70.3	-176.2	-27.9	0	0	111.1	T1203	T1203-Q1205 PolarHBondContact O-N 2.67Å
1206	R	27.1	Very low	26	Very low	246 Å²	246	158.6 Å²	158.6	93%	0.928	82%	0.822	S	S	*	*			trans	-123.8	99.6	173.8	-167.8	175.5	-170.8	168.7	2.6	108.5	R1208	R1206-R1208 PolarHBondContact O-N 3.48Å
1207	N	24	Very low	26.1	Very low	114 Å²	114	163 Å²	163	61%	0.61	83%	0.827	S	S	*	*			trans	-64.2	119.6	-173.4	-73.7	-3.4	0	0	0	111.7	Y1209	N1207-Y1209 HydrophobicContact CB-CE2 4.17Å
1208	R	25.5	Very low	26.1	Very low	246 Å²	246	167.4 Å²	167.4	93%	0.928	84%	0.84	S	S	*	*			trans	-95.4	135.8	157.6	-71.9	176.4	168.8	169.9	-5.6	107.6	R1206	R1206-R1208 PolarHBondContact O-N 3.48Å
1209	Y	25.3	Very low	26.1	Very low	208 Å²	208	166.2 Å²	166.2	82%	0.816	85%	0.847	S	S	*	*			trans	-106.9	134.8	166.8	-77.2	-79.8	0	0	0	109.6	N1207	N1207-Y1209 HydrophobicContact CB-CE2 4.17Å
1210	S	23.1	Very low	26.1	Very low	101 Å²	101	162.6 Å²	162.6	71%	0.706	84%	0.838	S	S	*	*			trans	-103.3	144.9	177.6	51.2	0	0	0	0	111.3
1211	T	26.8	Very low	26	Very low	139 Å²	139	161.9 Å²	161.9	85%	0.853	83%	0.831	S	S	*	*			trans	-101.6	99.8	174.5	40.9	0	0	0	0	110.2	S1213	T1211-S1213 PolarHBondContact O-N 3.41Å
1212	N	24.5	Very low	25.9	Very low	152 Å²	152	158.8 Å²	158.8	81%	0.813	82%	0.817	S	S	*	*			trans	-78.9	105.4	175.9	-76	-10.6	0	0	0	111
1213	S	26.7	Very low	26	Very low	114 Å²	114	157.2 Å²	157.2	80%	0.797	81%	0.806	S	S	*	*			trans	-104.8	104.9	169.8	51.2	0	0	0	0	111.3	T1211 G1215	T1211-S1213 PolarHBondContact O-N 3.41Å; S1213-G1215 PolarHBondContact O-N 3.47Å
1214	L	28.1	Very low	25.9	Very low	181 Å²	181	155.3 Å²	155.3	95%	0.948	80%	0.798	S	S	*	*			trans	-81.1	114.6	173.4	-71.8	171.7	0	0	0	110.1
1215	G	24.7	Very low	25.8	Very low	76 Å²	76	157.5 Å²	157.5	78%	0.784	80%	0.8	S	S	*	*			trans	-82.7	151.2	-173.8	0	0	0	0	0	115.5	S1213	S1213-G1215 PolarHBondContact O-N 3.47Å
1216	R	27.3	Very low	25.9	Very low	252 Å²	252	156.5 Å²	156.5	95%	0.951	80%	0.799	S	S	*	*			trans	-133.5	130	153	-78.3	-169.7	172.2	-170.5	-1.1	108.9
1217	K	27.5	Very low	25.8	Very low	206 Å²	206	151.8 Å²	151.8	90%	0.896	79%	0.792	S	S	*	*			trans	-89	128.9	-178.9	-62.5	-174.3	177.5	-172.3	0	111
1218	K	24.9	Very low	25.9	Very low	212 Å²	212	153.9 Å²	153.9	92%	0.922	80%	0.802	S	S	*	*			trans	-127.8	138.3	152.2	-112.1	-172.1	175.5	-173.2	0	106.1
1219	T	25.8	Very low	25.9	Very low	141 Å²	141	148.5 Å²	148.5	87%	0.865	79%	0.794	S	S	*	*			trans	-97.3	126	-171.4	47.5	0	0	0	0	111.9
1220	V	26.8	Very low	26	Very low	126 Å²	126	144.8 Å²	144.8	76%	0.764	79%	0.793	S	S	*	*			trans	-126.8	140.1	167.5	-179	0	0	0	0	106.1	E1222	V1220-E1222 PolarHBondContact O-N 2.66Å
1221	P	23.9	Very low	26.2	Very low	102 Å²	102	147.7 Å²	147.7	66%	0.662	80%	0.799	S	S	*	*			trans	-73.5	125.9	-178.1	28.5	-34.1	0	0	0	112	S1223	P1221-S1223 PolarHBondContact O-N 3.32Å
1222	E	25.4	Very low	26.1	Very low	119 Å²	119	148.3 Å²	148.3	56%	0.556	80%	0.795	S	S	*	*			trans	-72.3	96.3	177.5	-71.7	175.7	119.1	0	0	111.3	R908 V1220	R908-E1222 VanDerWaalsContact CZ-O 3.28Å; R908-E1222 PolarHBondContact NE-O 2.66Å; R908-E1222 PolarHBondContact NH2-O 3.2Å; V1220-E1222 PolarHBondContact O-N 2.66Å
1223	S	26	Very low	26.2	Very low	87 Å²	87	148 Å²	148	61%	0.608	79%	0.794	S	S	*	*			trans	-125.2	40.3	158.5	18.5	0	0	0	0	110.8	R908 P1221	R908-S1223 PolarHBondContact NH2-OG 3.03Å; P1221-S1223 PolarHBondContact O-N 3.32Å
1224	S	28	Very low	26.2	Very low	82 Å²	82	150.8 Å²	150.8	57%	0.573	79%	0.793	S	S	*	*			trans	-159	80.6	169.3	-78.3	0	0	0	0	110.8
1225	F	26.2	Very low	26	Very low	226 Å²	226	148.1 Å²	148.1	99%	0.991	78%	0.779	S	S	*	*			trans	-141.8	0	146.7	-79.5	-65.2	0	0	0	107.5	K644	K644-F1225 PolarHBondContact NZ-O 3.01Å

Retrieved 1,225 of 1,225 residues in 1252.5 ms (Link to these results)

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