A0A5K4E9U7_SCHMA Loading...

Putative guanine-nucleotide-exchange-factor AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4E9U7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 904 aa.

						>A0A5K4E9U7_SCHMA|A0A5K4E9U7
MGLKINFPCFKNITVRAPRSSFPWCQKQYGRKVTSTHPENNVYHDYQNHITEELIQDKQENSQSLVTDEDDNKSDPLENTNSRYCCENIYPKMNDETDQSKPGKTADLIALFEMLRAQYGKLCLENSDPSKHHQHSGQVENQPNDNDNDYDNNDNHKDTENKQKLITESPDTEVDYLDNSDEATLRLKDSFKTYEERQKYKSIIQDTPLYQIYTEKASISESRRDARRLLALVQPGSLDNPSNNLKFDDELFTAIDGDESDSNNQYSQKVPGSLIDSQQPSIHMKNSERRDLPFRLQNSGSSSFRSRNGDSLKTSSIKRTHSSSNTGERSKNQSSASKPRRQTQEVQNFVNEVAGTGPNRVQWSEMPQVISADLARDLPDYQKKLQEALFEVITSEASYYRTLHILIEKFYKAPCMQPDSKTSVITAIEKRHLFSNISEIFFTSETFLRDMELYFIQNPLIPQLCEIIYEHTENHFENYVKYVQNQMYQLRTLTKLLSSPAFVEAVRSIQQQPSCGFLDLNSFLLLPMQRVTRLRLLLTAILHYAPKNGVTYQSGLVALASIEKLISKCDSEKARMEQKERLVEICRRLEYKYDAKSLATESRTLVKEGDLRLLTMTNVQGSGFHRRFSSIRKSKATIATLFLFSDYLLITKKRSNQHLLVEDSCSLSYIHVEAHNALPNCFIHHFCRSGDPKLNAQLGHVTYVKTLSLPKQTATEQGKVNNQKPRKFSTDTNNAADVGLNVFSFILIMEGPDHPRVQYVFQTETLSKRERWLDGLSCGRHGIPENLGLDICECPQVLITKSYSAIECDELELKEGDQVNVLVSLSDGWLKGALPDGRRGWFPSHICTEVKDSSMKRENMKNFMLMEEAKAAYRVRKSRETFDGFPRMKDIRNSNRDLGKIRRR
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	24.2	Very low	26.1	Very low	239 Å²	239	144.2 Å²	144.2	100%	1.177	76%	0.764	S	S	*	*				0	110.4	0	-69.2	-179	-169.9	0	0	107.8	L3	M1-L3 PolarHBondContact O-N 3.27Å
2	G	26.8	Very low	26	Very low	83 Å²	83	144.8 Å²	144.8	86%	0.856	77%	0.767	S	S	*	*			trans	-89.4	93.5	-174.2	0	0	0	0	0	111.7	K4	G2-K4 PolarHBondContact O-N 3.36Å
3	L	22.1	Very low	25.8	Very low	154 Å²	154	141.4 Å²	141.4	81%	0.806	75%	0.748	S	S	*	*			trans	-75.8	101.3	168.3	-95	143.1	0	0	0	108.7	M1 I5	M1-L3 PolarHBondContact O-N 3.27Å; L3-I5 PolarHBondContact O-N 3.22Å
4	K	23.7	Very low	25.7	Very low	202 Å²	202	138.6 Å²	138.6	88%	0.878	74%	0.74	S	S	*	*			trans	-81.2	102.1	169.9	-75.4	-179.2	175.5	179.4	0	108.6	G2	G2-K4 PolarHBondContact O-N 3.36Å
5	I	24.5	Very low	25.7	Very low	98 Å²	98	136.1 Å²	136.1	50%	0.503	73%	0.731	S	S	.	*	P	Polyproline II helix	trans	-94	118.6	175.4	-61	174.2	0	0	0	108.4	L3 F7	L3-I5 PolarHBondContact O-N 3.22Å; I5-F7 HydrophobicContact CG2-CZ 4.37Å
6	N	24	Very low	25.5	Very low	153 Å²	153	140.7 Å²	140.7	82%	0.818	74%	0.735	S	S	*	*	P	Polyproline II helix	trans	-78.3	125.3	176	-95.8	-41.1	0	0	0	110.1
7	F	30.1	Very low	25.5	Very low	104 Å²	104	136.9 Å²	136.9	46%	0.456	73%	0.729	S	S	.	*	P	Polyproline II helix	trans	-97	117.9	169.9	-74.3	-74.9	0	0	0	111	I5 L518 S522	I5-F7 HydrophobicContact CG2-CZ 4.37Å; F7-L518 HydrophobicContact CD1-CD2 4.1Å; F7-L518 HydrophobicContact CE1-CD2 3.61Å; F7-S522 WeakPolarHBondContact CZ-OG 3.29Å
8	P	27.9	Very low	25.5	Very low	117 Å²	117	132.6 Å²	132.6	76%	0.76	71%	0.709	S	S	*	*			trans	-80.6	-8.5	178.5	-9.3	26.3	0	0	0	114.8	F10	P8-F10 PolarHBondContact O-N 3.38Å
9	C	26.1	Very low	25.5	Very low	102 Å²	102	137.9 Å²	137.9	69%	0.689	72%	0.719	S	S	*	*	S	Bend	trans	-88.1	-0.3	-163	-70.5	0	0	0	0	117.4
10	F	30.7	Very low	25.6	Very low	159 Å²	159	134.6 Å²	134.6	70%	0.697	71%	0.707	S	S	*	*	S	Bend	trans	-127.8	4.7	-175.8	-71.3	-72.1	0	0	0	116.9	P8 N12 I13	P8-F10 PolarHBondContact O-N 3.38Å; F10-N12 PolarHBondContact O-N 3.45Å; F10-I13 HydrophobicContact CD1-CD1 3.96Å; F10-I13 HydrophobicContact CE1-CD1 3.96Å
11	K	27	Very low	25.7	Very low	175 Å²	175	133 Å²	133	76%	0.761	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-8.7	173.7	-96	-171.3	175.9	-177.1	0	115
12	N	25.3	Very low	26	Very low	151 Å²	151	129 Å²	129	81%	0.807	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.3	15	-176.5	-80.2	-13.9	0	0	0	115.9	F10 T14	F10-N12 PolarHBondContact O-N 3.45Å; N12-T14 PolarHBondContact O-N 3Å
13	I	23.6	Very low	26.2	Very low	101 Å²	101	130.7 Å²	130.7	52%	0.518	68%	0.68	S	S	.	*			trans	-89.1	61.8	156	-47	179.5	0	0	0	107.1	F10 V15	F10-I13 HydrophobicContact CD1-CD1 3.96Å; F10-I13 HydrophobicContact CE1-CD1 3.96Å; I13-V15 HydrophobicContact CG2-CG2 4.26Å; I13-V15 PolarHBondContact O-N 3.29Å
14	T	24.2	Very low	26.5	Very low	103 Å²	103	134 Å²	134	63%	0.632	68%	0.682	S	S	*	*			trans	-58	107.2	138.5	-34.1	0	0	0	0	102.3	N12 R16	N12-T14 PolarHBondContact O-N 3Å; T14-R16 PolarHBondContact O-N 3.44Å
15	V	25.6	Very low	26.7	Very low	100 Å²	100	130 Å²	130	61%	0.606	68%	0.678	S	S	*	*			trans	-54.1	97.1	147.5	174.5	0	0	0	0	101.1	I13 A17	I13-V15 HydrophobicContact CG2-CG2 4.26Å; I13-V15 PolarHBondContact O-N 3.29Å; V15-A17 PolarHBondContact O-N 3.09Å
16	R	22.7	Very low	27	Very low	210 Å²	210	133.8 Å²	133.8	79%	0.792	69%	0.694	S	S	*	*			trans	-65.3	84.6	175.1	-158.5	-180	-165.6	176.3	3	99.8	T14 P18	T14-R16 PolarHBondContact O-N 3.44Å; R16-P18 WeakPolarHBondContact O-CA 3.4Å; R16-P18 WeakPolarHBondContact O-CD 3.49Å
17	A	24.7	Very low	27.1	Very low	76 Å²	76	136.2 Å²	136.2	63%	0.628	70%	0.697	S	S	*	*			trans	-44.3	106.3	153.6	0	0	0	0	0	100.6	V15 R19	V15-A17 PolarHBondContact O-N 3.09Å; A17-R19 PolarHBondContact O-N 3.32Å
18	P	25.7	Very low	27.1	Very low	59 Å²	59	139.4 Å²	139.4	38%	0.383	71%	0.713	S	S	.	*			trans	-56.5	125.4	-162.8	18.5	-28.9	0	0	0	103.3	R16 S20	R16-P18 WeakPolarHBondContact O-CA 3.4Å; R16-P18 WeakPolarHBondContact O-CD 3.49Å; P18-S20 PolarHBondContact O-N 3.02Å; P18-S20 PolarHBondContact O-OG 3.16Å
19	R	24.9	Very low	27.1	Very low	234 Å²	234	144.8 Å²	144.8	88%	0.883	72%	0.72	S	S	*	*			trans	-66.2	52.7	155.6	-69.1	-172.7	177.9	-162.2	-0.2	106.5	A17 S21	A17-R19 PolarHBondContact O-N 3.32Å; R19-S21 PolarHBondContact O-N 3.45Å; R19-S21 VanDerWaalsContact O-N 3.12Å
20	S	29.4	Very low	27.2	Very low	71 Å²	71	143.7 Å²	143.7	50%	0.497	73%	0.726	S	S	.	*			trans	-69.3	98.4	157.6	50.6	0	0	0	0	102.7	P18 F22	P18-S20 PolarHBondContact O-N 3.02Å; P18-S20 PolarHBondContact O-OG 3.16Å; S20-F22 PolarHBondContact O-N 3.16Å; S20-F22 VanDerWaalsContact O-N 3.08Å
21	S	27.6	Very low	27	Very low	102 Å²	102	147.5 Å²	147.5	71%	0.713	74%	0.736	S	S	*	*			trans	-0.3	101	157.3	-53	0	0	0	0	112.1	R19 P23	R19-S21 PolarHBondContact O-N 3.45Å; R19-S21 VanDerWaalsContact O-N 3.12Å; S21-P23 WeakPolarHBondContact O-CD 3.49Å
22	F	28.6	Very low	27	Very low	155 Å²	155	149.1 Å²	149.1	68%	0.68	74%	0.743	S	S	*	*			trans	-49.1	113.2	171.2	-76.2	-88.3	0	0	0	108	S20 W24 C25	S20-F22 PolarHBondContact O-N 3.16Å; S20-F22 VanDerWaalsContact O-N 3.08Å; F22-W24 AromaticContact CD1-NE1 3.58Å; F22-W24 PolarHBondContact O-N 3.46Å; F22-C25 PolarHBondContact O-N 3.38Å
23	P	31.6	Very low	27.2	Very low	119 Å²	119	148.1 Å²	148.1	77%	0.773	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	15.4	-171.7	-16.3	30.9	0	0	0	115	S21	S21-P23 WeakPolarHBondContact O-CD 3.49Å
24	W	29.2	Very low	27.2	Very low	223 Å²	223	149.2 Å²	149.2	85%	0.845	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.4	5	178.2	31.7	-25.2	0	0	0	112.1	F22	F22-W24 AromaticContact CD1-NE1 3.58Å; F22-W24 PolarHBondContact O-N 3.46Å
25	C	27.9	Very low	27.2	Very low	119 Å²	119	149.1 Å²	149.1	80%	0.804	76%	0.757	S	S	*	*	S	Bend	trans	-107.5	5.5	171.3	-107.3	0	0	0	0	115.7	F22	F22-C25 PolarHBondContact O-N 3.38Å
26	Q	29.6	Very low	27.3	Very low	176 Å²	176	150.5 Å²	150.5	82%	0.822	77%	0.766	S	S	*	*	S	Bend	trans	-142.7	77.5	173.7	-97.3	-177.8	-23.5	0	0	110.8
27	K	27.8	Very low	27.4	Very low	205 Å²	205	149.1 Å²	149.1	89%	0.891	77%	0.768	S	S	*	*			trans	-167.9	54.7	158.8	-108	173.4	-170.8	-175	0	110.6
28	Q	29.1	Very low	27.6	Very low	170 Å²	170	151.1 Å²	151.1	79%	0.794	77%	0.774	S	S	*	*			trans	-113.4	140.8	149.2	-71.4	-107.8	-24.5	0	0	104.6
29	Y	28.1	Very low	27.6	Very low	231 Å²	231	156 Å²	156	91%	0.906	79%	0.792	S	S	*	*	S	Bend	trans	89.4	79.3	-169.9	-50.5	-71.6	0	0	0	116.4
30	G	26.8	Very low	27.7	Very low	79 Å²	79	150.9 Å²	150.9	81%	0.814	78%	0.782	S	S	*	*				69.5	90.7	115.2	0	0	0	0	0	118.1
31	R	27.2	Very low	27.6	Very low	238 Å²	238	155.5 Å²	155.5	90%	0.898	80%	0.802	S	S	*	*			trans	-143.4	106.3	147.1	-128.1	-179.8	-165.9	-171.5	3.7	110.2	V33	R31-V33 PolarHBondContact O-N 3.26Å
32	K	26.8	Very low	27.5	Very low	210 Å²	210	156.2 Å²	156.2	91%	0.913	80%	0.801	S	S	*	*			trans	-57.5	115.2	164.5	-73.1	177.2	175.2	178.8	0	107.6
33	V	29	Very low	27.4	Very low	130 Å²	130	159.4 Å²	159.4	79%	0.788	81%	0.81	S	S	*	*			trans	-121	103.5	165.4	-178.7	0	0	0	0	106.9	R31	R31-V33 PolarHBondContact O-N 3.26Å
34	T	25.5	Very low	27.2	Very low	124 Å²	124	162.1 Å²	162.1	76%	0.761	81%	0.812	S	S	*	*			trans	-76.6	130.7	170.9	40.8	0	0	0	0	110
35	S	22.4	Very low	27.2	Very low	100 Å²	100	158.3 Å²	158.3	70%	0.699	81%	0.809	S	S	*	*			trans	58.7	112.8	134.4	-178.4	0	0	0	0	119
36	T	29	Very low	27.2	Very low	129 Å²	129	163.2 Å²	163.2	79%	0.791	81%	0.812	S	S	*	*				177.1	125.2	95.7	37.9	0	0	0	0	110
37	H	23.7	Very low	27.1	Very low	181 Å²	181	162.7 Å²	162.7	84%	0.838	81%	0.809	S	S	*	*			trans	-62.2	156.2	163.2	-81.9	-84	0	0	0	111.6
38	P	30.2	Very low	27.2	Very low	118 Å²	118	160.5 Å²	160.5	77%	0.766	81%	0.807	S	S	*	*				-141	123.2	102.4	29.3	-10.7	0	0	0	114.6
39	E	25.6	Very low	27	Very low	162 Å²	162	160.8 Å²	160.8	76%	0.757	81%	0.808	S	S	*	*				46.9	141.2	124	-69	-175.7	174.7	0	0	124.8
40	N	26.2	Very low	27.1	Very low	127 Å²	127	157.4 Å²	157.4	68%	0.679	80%	0.804	S	S	*	*			trans	84.8	89.9	152.6	-62.1	-21.5	0	0	0	118.4
41	N	28.3	Very low	27.2	Very low	168 Å²	168	160 Å²	160	90%	0.898	80%	0.804	S	S	*	*				-149.6	113.9	129.2	-97.4	-28.8	0	0	0	111.1
42	V	25.5	Very low	27	Very low	117 Å²	117	158 Å²	158	71%	0.709	81%	0.805	S	S	*	*			trans	-75.7	121	176.4	173.4	0	0	0	0	108.7
43	Y	26.5	Very low	27	Very low	222 Å²	222	156.8 Å²	156.8	87%	0.871	80%	0.803	S	S	*	*			trans	-141	131.4	156.5	-100.5	-84.3	0	0	0	109.5
44	H	27.6	Very low	27	Very low	176 Å²	176	159.1 Å²	159.1	82%	0.815	81%	0.81	S	S	*	*			trans	-58.4	124.2	-167.7	-80.8	-89.3	0	0	0	114.3
45	D	28.4	Very low	27	Very low	143 Å²	143	160.8 Å²	160.8	77%	0.765	81%	0.812	S	S	*	*			trans	-91.5	125.4	174.5	-132.8	-8.6	0	0	0	110.2	Q47	D45-Q47 PolarHBondContact O-N 2.98Å
46	Y	27.3	Very low	27.1	Very low	222 Å²	222	163.9 Å²	163.9	87%	0.871	82%	0.816	S	S	*	*			trans	-85.1	92	168.1	-90.7	-93.7	0	0	0	108	N48	Y46-N48 PolarHBondContact O-N 3.39Å
47	Q	27.8	Very low	27	Very low	165 Å²	165	164 Å²	164	77%	0.771	81%	0.812	S	S	*	*			trans	-75.1	105.2	173.9	-86.6	169.1	-50.8	0	0	110.9	D45	D45-Q47 PolarHBondContact O-N 2.98Å
48	N	29.7	Very low	27.3	Very low	158 Å²	158	165.8 Å²	165.8	85%	0.845	82%	0.817	S	S	*	*			trans	-87.7	112.6	158.7	-83.4	-32.6	0	0	0	108.8	Y46 I50	Y46-N48 PolarHBondContact O-N 3.39Å; N48-I50 PolarHBondContact O-N 3.06Å
49	H	25.1	Very low	27	Very low	177 Å²	177	168.5 Å²	168.5	82%	0.819	82%	0.819	S	S	*	*			trans	-58	118.6	174.1	-79.9	-90.6	0	0	0	111.9
50	I	30.1	Very low	27	Very low	159 Å²	159	168.5 Å²	168.5	82%	0.815	82%	0.819	S	S	*	*			trans	-127.9	109.2	154.4	-61.2	-179.6	0	0	0	106.3	N48	N48-I50 PolarHBondContact O-N 3.06Å
51	T	29	Very low	26.9	Very low	133 Å²	133	168.5 Å²	168.5	82%	0.816	82%	0.82	S	S	*	*			trans	-60.1	124.7	-179.3	25.3	0	0	0	0	112.5
52	E	23.9	Very low	27	Very low	198 Å²	198	166.7 Å²	166.7	93%	0.925	82%	0.82	S	S	*	*			trans	-75.3	123	161.7	-72.5	-179.1	149.4	0	0	109.8
53	E	26.8	Very low	27	Very low	184 Å²	184	169.5 Å²	169.5	86%	0.86	83%	0.825	S	S	*	*			trans	-156	94.5	158.6	-147.7	179.8	-153.3	0	0	109.1
54	L	28.7	Very low	26.9	Very low	179 Å²	179	163.7 Å²	163.7	94%	0.937	82%	0.817	S	S	*	*			trans	-171.3	85.3	143.5	-128.5	78.6	0	0	0	109.7
55	I	25.3	Very low	26.8	Very low	158 Å²	158	163.4 Å²	163.4	81%	0.81	82%	0.821	S	S	*	*			trans	-102.5	123.7	161.1	-52.7	175.7	0	0	0	105.5
56	Q	25	Very low	26.6	Very low	166 Å²	166	162 Å²	162	78%	0.776	82%	0.817	S	S	*	*				164	142.9	121.6	-102.7	167.1	-23.7	0	0	113.6
57	D	27.2	Very low	26.7	Very low	132 Å²	132	157.7 Å²	157.7	71%	0.706	81%	0.814	S	S	*	*			trans	81	96.4	151.1	-58	-13.8	0	0	0	119.9
58	K	29.7	Very low	26.7	Very low	218 Å²	218	157 Å²	157	95%	0.948	82%	0.815	S	S	*	*				-151.4	99.7	129.6	-106.5	169.7	-171	-175.3	0	109.8
59	Q	23.7	Very low	26.5	Very low	174 Å²	174	158.1 Å²	158.1	81%	0.813	82%	0.816	S	S	*	*			trans	-104.5	156	175.6	-142.5	175.2	2.7	0	0	108.9
60	E	26.3	Very low	26.8	Very low	162 Å²	162	157.8 Å²	157.8	76%	0.757	82%	0.82	S	S	*	*			trans	104.6	111.2	158.8	-60.6	-165.7	161.5	0	0	120.7
61	N	23.3	Very low	26.6	Very low	128 Å²	128	156.7 Å²	156.7	68%	0.684	82%	0.816	S	S	*	*				72.1	107.5	128.1	-75	-15.3	0	0	0	121.1
62	S	31.1	Very low	26.7	Very low	130 Å²	130	158.4 Å²	158.4	91%	0.909	82%	0.82	S	S	*	*				-153.1	121.4	124.2	-39.4	0	0	0	0	110.2
63	Q	25.1	Very low	26.8	Very low	175 Å²	175	158.1 Å²	158.1	82%	0.818	82%	0.816	S	S	*	*			trans	-86.8	143.6	-178	-73	174.7	-33.5	0	0	112.7
64	S	23.8	Very low	27	Very low	100 Å²	100	155 Å²	155	70%	0.699	82%	0.815	S	S	*	*			trans	27.7	124.9	142.4	64.9	0	0	0	0	121
65	L	26.2	Very low	27	Very low	171 Å²	171	154.4 Å²	154.4	90%	0.895	81%	0.812	S	S	*	*			trans	-132.5	121.2	144.4	-157.8	73.3	0	0	0	109.1
66	V	24	Very low	28	Very low	113 Å²	113	152.1 Å²	152.1	69%	0.685	81%	0.808	S	S	*	*			trans	-95.4	136.6	176.1	171.2	0	0	0	0	107.5
67	T	28.4	Very low	28.2	Very low	131 Å²	131	152.9 Å²	152.9	80%	0.804	82%	0.816	S	S	*	*			trans	-143	137.7	159.9	46.9	0	0	0	0	110.1
68	D	28	Very low	28.1	Very low	150 Å²	150	155.1 Å²	155.1	80%	0.802	82%	0.822	S	S	*	*			trans	-79.2	160.2	-156.4	-65.7	-67	0	0	0	116
69	E	26.4	Very low	28	Very low	182 Å²	182	152.4 Å²	152.4	85%	0.85	82%	0.818	S	S	*	*			trans	-61.8	146.8	168.3	-58.1	177.9	145.5	0	0	111.4
70	D	30.3	Very low	28	Very low	171 Å²	171	149.9 Å²	149.9	91%	0.914	82%	0.815	S	S	*	*			trans	-148.7	118.1	146.1	-113.5	-24.7	0	0	0	110.9
71	D	27.3	Very low	28	Very low	136 Å²	136	150 Å²	150	73%	0.727	82%	0.821	S	S	*	*			trans	-65.5	138.6	173.3	-94	-41.1	0	0	0	111
72	N	30.8	Very low	28.1	Very low	169 Å²	169	148.9 Å²	148.9	90%	0.904	82%	0.823	S	S	*	*			trans	-153.8	120.1	142.6	-104.2	-40	0	0	0	113.3
73	K	25.8	Very low	27.8	Very low	191 Å²	191	153.9 Å²	153.9	83%	0.83	82%	0.822	S	S	*	*			trans	-79.1	139.9	174.9	-71.6	169.6	175.1	168.6	0	110.7
74	S	30.7	Very low	27.9	Very low	120 Å²	120	155.7 Å²	155.7	84%	0.839	82%	0.823	S	S	*	*			trans	-158.1	126.5	149.1	51.4	0	0	0	0	111
75	D	28.7	Very low	27.8	Very low	166 Å²	166	156.2 Å²	156.2	89%	0.888	83%	0.825	S	S	*	*			trans	-74.1	171.7	-169.5	-94.8	-37.1	0	0	0	115.8
76	P	46.9	Very low	27.7	Very low	110 Å²	110	153.9 Å²	153.9	71%	0.714	82%	0.821	S	S	*	*			trans	-100.8	159.5	-152.1	38.6	-34.4	0	0	0	115
77	L	28.9	Very low	27.7	Very low	181 Å²	181	156.8 Å²	156.8	95%	0.948	83%	0.827	S	S	*	*			trans	-119.6	118.5	163.1	-89.2	159.2	0	0	0	110.3
78	E	24.1	Very low	27.6	Very low	180 Å²	180	156.5 Å²	156.5	84%	0.841	82%	0.821	S	S	*	*			trans	-61.1	130.6	174	-63	173.5	136	0	0	111.1
79	N	27.3	Very low	27.4	Very low	160 Å²	160	157 Å²	157	86%	0.856	82%	0.822	S	S	*	*			trans	-149.4	117.4	139.9	-131.6	-16.7	0	0	0	111.4
80	T	24.5	Very low	27.3	Very low	121 Å²	121	157.5 Å²	157.5	74%	0.742	82%	0.818	S	S	*	*			trans	-80.4	114.2	-174.4	35.3	0	0	0	0	110.2
81	N	26.8	Very low	27.3	Very low	165 Å²	165	154.2 Å²	154.2	88%	0.882	81%	0.806	S	S	*	*			trans	-151.3	76.8	152.6	-110.2	-24.4	0	0	0	109.3	R83	N81-R83 PolarHBondContact O-N 3.29Å
82	S	25.1	Very low	27.1	Very low	104 Å²	104	157.1 Å²	157.1	73%	0.727	81%	0.812	S	S	*	*			trans	-70.1	91.8	178.6	59.7	0	0	0	0	110.6
83	R	24.7	Very low	26.9	Very low	236 Å²	236	157.1 Å²	157.1	89%	0.891	81%	0.808	S	S	*	*			trans	-108.6	99.6	159.5	-148.2	174.5	-163.7	157.3	3.8	107	N81 C85	N81-R83 PolarHBondContact O-N 3.29Å; R83-C85 PolarHBondContact O-N 3.25Å
84	Y	26.4	Very low	27	Very low	213 Å²	213	155 Å²	155	84%	0.835	81%	0.806	S	S	*	*			trans	-58.6	89.9	-179.3	-73.5	-93.8	0	0	0	111.3
85	C	23.1	Very low	26.8	Very low	111 Å²	111	156.7 Å²	156.7	75%	0.75	81%	0.806	S	S	*	*			trans	-101.4	112.9	156.6	-86.2	0	0	0	0	107.1	R83 E87	R83-C85 PolarHBondContact O-N 3.25Å; C85-E87 VanDerWaalsContact C-N 3.3Å; C85-E87 PolarHBondContact O-N 3.17Å
86	C	22.5	Very low	26.9	Very low	121 Å²	121	157.7 Å²	157.7	82%	0.818	81%	0.805	S	S	*	*			trans	-68.4	87.8	173.2	-65.8	0	0	0	0	108.8	N88	C86-N88 PolarHBondContact O-N 2.91Å
87	E	24.9	Very low	25.9	Very low	174 Å²	174	158.1 Å²	158.1	81%	0.813	81%	0.806	S	S	*	*			trans	-79.3	114.7	164.9	-79.2	-174	162.1	0	0	108.9	C85 I89	C85-E87 VanDerWaalsContact C-N 3.3Å; C85-E87 PolarHBondContact O-N 3.17Å; E87-I89 PolarHBondContact O-N 2.76Å
88	N	26.1	Very low	25.9	Very low	126 Å²	126	157.3 Å²	157.3	67%	0.674	80%	0.802	S	S	*	*			trans	-62.3	102.1	175.9	-66.1	-53.5	0	0	0	109.5	C86 Y90	C86-N88 PolarHBondContact O-N 2.91Å; N88-Y90 VanDerWaalsContact C-N 3.3Å; N88-Y90 HydrophobicContact CB-CD2 3.96Å; N88-Y90 HydrophobicContact CB-CE2 3.71Å; N88-Y90 PolarHBondContact O-N 3.2Å
89	I	24	Very low	26.2	Very low	161 Å²	161	156.5 Å²	156.5	83%	0.826	80%	0.799	S	S	*	*			trans	-71.8	93.2	165.5	-59.5	174.9	0	0	0	106.8	E87 P91	E87-I89 PolarHBondContact O-N 2.76Å; I89-P91 WeakPolarHBondContact O-CD 3.4Å
90	Y	24.3	Very low	26.4	Very low	192 Å²	192	154.3 Å²	154.3	75%	0.753	80%	0.796	S	S	*	*			trans	-73.3	118	162	-76.3	-88.2	0	0	0	107.8	N88 K92	N88-Y90 VanDerWaalsContact C-N 3.3Å; N88-Y90 HydrophobicContact CB-CD2 3.96Å; N88-Y90 HydrophobicContact CB-CE2 3.71Å; N88-Y90 PolarHBondContact O-N 3.2Å; Y90-K92 PolarHBondContact O-N 3.4Å
91	P	29.4	Very low	26.7	Very low	102 Å²	102	158.2 Å²	158.2	66%	0.662	80%	0.802	S	S	*	*			trans	-70.2	119.4	171.8	27.7	-28.6	0	0	0	108.2	I89 M93	I89-P91 WeakPolarHBondContact O-CD 3.4Å; P91-M93 PolarHBondContact O-N 2.99Å
92	K	23.9	Very low	27.3	Very low	197 Å²	197	156.6 Å²	156.6	86%	0.857	80%	0.801	S	S	*	*			trans	-58.1	104.2	165.4	-87.2	178.4	171.3	178.5	0	107.8	Y90	Y90-K92 PolarHBondContact O-N 3.4Å
93	M	27	Very low	27.9	Very low	168 Å²	168	153.7 Å²	153.7	83%	0.828	79%	0.787	S	S	*	*			trans	-81.4	116.3	167.6	-65.5	-73.6	-89.3	0	0	106.5	P91	P91-M93 PolarHBondContact O-N 2.99Å
94	N	27.8	Very low	28.7	Very low	148 Å²	148	150.9 Å²	150.9	79%	0.791	78%	0.781	S	S	*	*			trans	-62.5	132	176.3	-71.8	-25.6	0	0	0	109.7	E96	N94-E96 PolarHBondContact O-N 3.44Å
95	D	26.7	Very low	29.1	Very low	154 Å²	154	146 Å²	146	82%	0.824	77%	0.774	S	S	*	*			trans	-63.9	96.9	168.9	-82.7	-43.2	0	0	0	109.2
96	E	29.7	Very low	30	Very low	187 Å²	187	143.8 Å²	143.8	87%	0.874	76%	0.764	S	S	*	*			trans	-111.5	93.5	151.3	-78.9	-172	166.7	0	0	107.9	N94 D98	N94-E96 PolarHBondContact O-N 3.44Å; E96-D98 PolarHBondContact O-N 2.71Å; E96-D98 VanDerWaalsContact O-N 3.13Å
97	T	27.6	Very low	31.1	Very low	120 Å²	120	143.4 Å²	143.4	74%	0.736	75%	0.754	S	S	*	*			trans	-59.3	102.3	165.3	38	0	0	0	0	109.6
98	D	28.7	Very low	31.9	Very low	163 Å²	163	139.8 Å²	139.8	87%	0.872	74%	0.739	S	S	*	*			trans	-117.2	107.7	157	-148.3	3.4	0	0	0	109.1	E96	E96-D98 PolarHBondContact O-N 2.71Å; E96-D98 VanDerWaalsContact O-N 3.13Å
99	Q	29.7	Very low	32.9	Very low	164 Å²	164	138.8 Å²	138.8	77%	0.766	73%	0.733	S	S	*	*			trans	-78.5	149.9	-176.3	-67.4	178.7	4.2	0	0	109.8
100	S	31.3	Very low	34.1	Very low	113 Å²	113	133.6 Å²	133.6	79%	0.79	71%	0.714	S	S	*	*			trans	91.7	74.1	166.1	82.8	0	0	0	0	118.5
101	K	30.7	Very low	34.9	Very low	203 Å²	203	129 Å²	129	88%	0.883	70%	0.702	S	S	*	*			trans	-139	103	142	-72.8	-167.9	180	175.5	0	110.6	G103	K101-G103 PolarHBondContact O-N 2.74Å; K101-G103 VanDerWaalsContact O-N 3.08Å
102	P	39.2	Very low	35.5	Very low	132 Å²	132	128 Å²	128	86%	0.857	69%	0.687	S	S	*	*			trans	-79.9	87.9	172.5	32.8	-28	0	0	0	108
103	G	37.6	Very low	37	Very low	42 Å²	42	125 Å²	125	43%	0.433	68%	0.676	S	S	.	*			trans	-139.3	20.2	-167.2	0	0	0	0	0	117	K101	K101-G103 PolarHBondContact O-N 2.74Å; K101-G103 VanDerWaalsContact O-N 3.08Å
104	K	41.9	Very low	38	Very low	177 Å²	177	122.6 Å²	122.6	77%	0.77	66%	0.664	S	S	*	*	S	Bend	trans	-135.4	-26.4	176.6	-69.6	-174.3	-180	173.3	0	115.1
105	T	35.7	Very low	38.8	Very low	112 Å²	112	118.2 Å²	118.2	69%	0.687	64%	0.641	S	S	*	*	H	α-helix	trans	-78.2	-36.6	177.6	-13.2	0	0	0	0	111.8	L108 I109	T105-L108 PolarHBondContact O-N 3Å; T105-I109 PolarHBondContact O-N 3.25Å
106	A	40.6	Very low	39.4	Very low	64 Å²	64	117.9 Å²	117.9	53%	0.529	63%	0.628	S	S	.	*	H	α-helix	trans	-64.8	-39.9	176.4	0	0	0	0	0	111.9	L108 I109 A110	A106-L108 VanDerWaalsContact C-N 3.26Å; A106-L108 PolarHBondContact O-N 3.13Å; A106-I109 PolarHBondContact O-N 3Å; A106-A110 WeakPolarHBondContact O-CB 3.46Å; A106-A110 PolarHBondContact O-N 3.49Å
107	D	45.7	Very low	40.4	Very low	113 Å²	113	112 Å²	112	60%	0.604	61%	0.611	S	S	*	*	H	α-helix	trans	-61.3	-34.5	176.5	-77	-6	0	0	0	112.8	L111	D107-L111 VanDerWaalsContact O-CB 3.3Å; D107-L111 WeakPolarHBondContact O-CB 3.28Å; D107-L111 PolarHBondContact O-N 3.01Å
108	L	42.5	Very low	41	Very low	97 Å²	97	112 Å²	112	51%	0.508	60%	0.603	S	S	.	*	H	α-helix	trans	-72.1	-37.8	178.6	-118.1	150	0	0	0	111.8	T105 A106 F112	T105-L108 PolarHBondContact O-N 3Å; A106-L108 VanDerWaalsContact C-N 3.26Å; A106-L108 PolarHBondContact O-N 3.13Å; L108-F112 WeakPolarHBondContact O-CB 2.78Å; L108-F112 PolarHBondContact O-N 3.32Å; L108-F112 VanDerWaalsContact O-N 3.08Å
109	I	48.1	Very low	41.6	Very low	106 Å²	106	110.8 Å²	110.8	54%	0.544	59%	0.587	S	S	.	*	H	α-helix	trans	-68.3	-44.2	174	-63	170.1	0	0	0	109.9	T105 A106 L111 F112 E113	T105-I109 PolarHBondContact O-N 3.25Å; A106-I109 PolarHBondContact O-N 3Å; I109-L111 PolarHBondContact O-N 2.85Å; I109-F112 WeakPolarHBondContact O-CA 3.08Å; I109-F112 VanDerWaalsContact O-CB 3.24Å; I109-F112 WeakPolarHBondContact O-CB 3.39Å; I109-F112 PolarHBondContact O-N 3.5Å; I109-E113 PolarHBondContact O-N 3.18Å
110	A	47.3	Very low	42	Very low	51 Å²	51	105 Å²	105	42%	0.421	57%	0.571	S	S	.	*	H	α-helix	trans	-63	-40	177	0	0	0	0	0	112.1	A106 F112 E113 M114	A106-A110 WeakPolarHBondContact O-CB 3.46Å; A106-A110 PolarHBondContact O-N 3.49Å; A110-F112 VanDerWaalsContact C-N 3.27Å; A110-F112 PolarHBondContact O-N 3.48Å; A110-E113 PolarHBondContact O-N 3.39Å; A110-M114 VanDerWaalsContact O-CB 3.28Å; A110-M114 WeakPolarHBondContact O-CB 3.47Å; A110-M114 PolarHBondContact O-N 3.02Å
111	L	42.4	Very low	42.5	Very low	96 Å²	96	108.1 Å²	108.1	50%	0.503	57%	0.57	S	S	.	*	H	α-helix	trans	-61.3	-38.7	172.4	-162.4	95.3	0	0	0	111.2	D107 I109 L115	D107-L111 VanDerWaalsContact O-CB 3.3Å; D107-L111 WeakPolarHBondContact O-CB 3.28Å; D107-L111 PolarHBondContact O-N 3.01Å; I109-L111 PolarHBondContact O-N 2.85Å; L111-L115 HydrophobicContact CD2-CD1 4.2Å; L111-L115 HydrophobicContact CG-CD1 4.18Å; L111-L115 WeakPolarHBondContact O-CB 3.48Å; L111-L115 WeakPolarHBondContact O-CG 3.22Å; L111-L115 PolarHBondContact O-N 3.46Å
112	F	41.1	Very low	42.7	Very low	80 Å²	80	105.6 Å²	105.6	35%	0.351	57%	0.566	S	S	.	*	H	α-helix	trans	-65.3	-43.2	177.5	-148.2	-92.9	0	0	0	111.7	L108 I109 A110 R116 M860 M864	L108-F112 WeakPolarHBondContact O-CB 2.78Å; L108-F112 PolarHBondContact O-N 3.32Å; L108-F112 VanDerWaalsContact O-N 3.08Å; I109-F112 WeakPolarHBondContact O-CA 3.08Å; I109-F112 VanDerWaalsContact O-CB 3.24Å; I109-F112 WeakPolarHBondContact O-CB 3.39Å; I109-F112 PolarHBondContact O-N 3.5Å; A110-F112 VanDerWaalsContact C-N 3.27Å; A110-F112 PolarHBondContact O-N 3.48Å; F112-R116 VanDerWaalsContact O-CB 3.3Å; F112-R116 WeakPolarHBondContact O-CB 3.2Å; F112-R116 PolarHBondContact O-N 2.81Å; F112-R116 VanDerWaalsContact O-N 3.11Å; F112-M860 HydrophobicContact CE2-SD 4.38Å; F112-M864 HydrophobicContact CD2-CE 3.99Å; F112-M864 HydrophobicContact CE2-CE 3.6Å; F112-M864 HydrophobicContact CZ-CE 4.42Å
113	E	56.1	Low	42.4	Very low	134 Å²	134	104.6 Å²	104.6	63%	0.626	56%	0.561	S	S	*	*	H	α-helix	trans	-70.4	-39.1	176.4	-69.5	-163.6	163	0	0	112.8	I109 A110 R116 A117	I109-E113 PolarHBondContact O-N 3.18Å; A110-E113 PolarHBondContact O-N 3.39Å; E113-R116 WeakPolarHBondContact O-CB 3.11Å; E113-R116 PolarHBondContact O-N 2.87Å; E113-A117 WeakPolarHBondContact O-CB 3.4Å; E113-A117 PolarHBondContact O-N 3.28Å
114	M	48.6	Very low	42.1	Very low	118 Å²	118	110 Å²	110	58%	0.581	58%	0.579	S	S	*	*	H	α-helix	trans	-64.5	-45.9	179.5	-163.8	-155.4	-46.4	0	0	111.6	A110 R116 A117 Q118	A110-M114 VanDerWaalsContact O-CB 3.28Å; A110-M114 WeakPolarHBondContact O-CB 3.47Å; A110-M114 PolarHBondContact O-N 3.02Å; M114-R116 VanDerWaalsContact C-N 3.33Å; M114-R116 PolarHBondContact O-N 2.9Å; M114-A117 PolarHBondContact O-N 3.3Å; M114-Q118 WeakPolarHBondContact O-CB 3.43Å; M114-Q118 PolarHBondContact O-N 3.48Å
115	L	43.1	Very low	41.4	Very low	56 Å²	56	110 Å²	110	29%	0.293	58%	0.581	S	S	.	*	H	α-helix	trans	-65.5	-39.1	175.7	-70.1	167.9	0	0	0	110.8	L111 A117 Q118 Y119	L111-L115 HydrophobicContact CD2-CD1 4.2Å; L111-L115 HydrophobicContact CG-CD1 4.18Å; L111-L115 WeakPolarHBondContact O-CB 3.48Å; L111-L115 WeakPolarHBondContact O-CG 3.22Å; L111-L115 PolarHBondContact O-N 3.46Å; L115-A117 PolarHBondContact O-N 2.78Å; L115-Q118 PolarHBondContact O-N 2.84Å; L115-Y119 HydrophobicContact CD2-CE2 4.09Å; L115-Y119 WeakPolarHBondContact O-CD2 3.36Å; L115-Y119 PolarHBondContact O-N 2.89Å
116	R	40.9	Very low	41.1	Very low	148 Å²	148	112.4 Å²	112.4	56%	0.558	59%	0.59	S	S	*	*	H	α-helix	trans	-62	-41.3	174.9	-168.2	-177.5	-141.2	171.7	4.4	112.4	F112 E113 M114 Q118 G120	F112-R116 VanDerWaalsContact O-CB 3.3Å; F112-R116 WeakPolarHBondContact O-CB 3.2Å; F112-R116 PolarHBondContact O-N 2.81Å; F112-R116 VanDerWaalsContact O-N 3.11Å; E113-R116 WeakPolarHBondContact O-CB 3.11Å; E113-R116 PolarHBondContact O-N 2.87Å; M114-R116 VanDerWaalsContact C-N 3.33Å; M114-R116 PolarHBondContact O-N 2.9Å; R116-Q118 VanDerWaalsContact C-N 3.34Å; R116-G120 WeakPolarHBondContact O-CA 3.33Å; R116-G120 PolarHBondContact O-N 3.11Å
117	A	49.3	Very low	40.5	Very low	62 Å²	62	114.6 Å²	114.6	51%	0.512	60%	0.601	S	S	.	*	H	α-helix	trans	-66	-38.5	176.3	0	0	0	0	0	111.7	E113 M114 L115 K121	E113-A117 WeakPolarHBondContact O-CB 3.4Å; E113-A117 PolarHBondContact O-N 3.28Å; M114-A117 PolarHBondContact O-N 3.3Å; L115-A117 PolarHBondContact O-N 2.78Å; A117-K121 PolarHBondContact O-N 3.35Å
118	Q	40.8	Very low	39.6	Very low	122 Å²	122	116.3 Å²	116.3	57%	0.57	61%	0.611	S	S	*	*	H	α-helix	trans	-66.7	-38	179	-168.7	172.9	-0.6	0	0	112.6	M114 L115 R116	M114-Q118 WeakPolarHBondContact O-CB 3.43Å; M114-Q118 PolarHBondContact O-N 3.48Å; L115-Q118 PolarHBondContact O-N 2.84Å; R116-Q118 VanDerWaalsContact C-N 3.34Å
119	Y	41.9	Very low	39.2	Very low	137 Å²	137	117.6 Å²	117.6	54%	0.537	63%	0.625	S	S	.	*	H	α-helix	trans	-96.4	-19.7	-179.4	-63.4	-68.3	0	0	0	114.3	L115	L115-Y119 HydrophobicContact CD2-CE2 4.09Å; L115-Y119 WeakPolarHBondContact O-CD2 3.36Å; L115-Y119 PolarHBondContact O-N 2.89Å
120	G	37.4	Very low	38.1	Very low	42 Å²	42	116.6 Å²	116.6	43%	0.433	63%	0.627	S	S	.	*	H	α-helix	trans	-73.1	-26.9	175.7	0	0	0	0	0	113.8	R116 L122 C123	R116-G120 WeakPolarHBondContact O-CA 3.33Å; R116-G120 PolarHBondContact O-N 3.11Å; G120-L122 PolarHBondContact O-N 3.2Å; G120-C123 PolarHBondContact O-N 3.1Å
121	K	41.8	Very low	37.1	Very low	179 Å²	179	123.5 Å²	123.5	78%	0.778	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-69.7	-15.3	178.4	-91.7	-171.3	173.9	-171.6	0	114.6	A117 C123	A117-K121 PolarHBondContact O-N 3.35Å; K121-C123 PolarHBondContact O-N 3.14Å; K121-C123 VanDerWaalsContact O-N 3.17Å
122	L	35.7	Very low	36.4	Very low	150 Å²	150	128.4 Å²	128.4	79%	0.785	67%	0.668	S	S	*	*	G	3₁₀ helix	trans	-71.8	-0.6	172.9	-85.1	161.1	0	0	0	113.8	G120	G120-L122 PolarHBondContact O-N 3.2Å
123	C	31.9	Very low	35.7	Very low	111 Å²	111	132.4 Å²	132.4	75%	0.75	69%	0.687	S	S	*	*	G	3₁₀ helix	trans	-107.8	4.2	-179.4	-69	0	0	0	0	115.8	G120 K121	G120-C123 PolarHBondContact O-N 3.1Å; K121-C123 PolarHBondContact O-N 3.14Å; K121-C123 VanDerWaalsContact O-N 3.17Å
124	L	31.1	Very low	34.1	Very low	155 Å²	155	133.5 Å²	133.5	81%	0.812	69%	0.692	S	S	*	*	S	Bend	trans	-133.4	15.4	-175.7	-82	169	0	0	0	116.7
125	E	26.8	Very low	33.1	Very low	176 Å²	176	136.9 Å²	136.9	82%	0.822	71%	0.706	S	S	*	*			trans	-106.1	81.7	167.4	-76.7	-178.4	174.6	0	0	109.5
126	N	29.5	Very low	32.1	Very low	164 Å²	164	139.6 Å²	139.6	88%	0.877	73%	0.73	S	S	*	*	S	Bend	trans	-170	63.3	161.8	-87.9	-33.5	0	0	0	109.5
127	S	28	Very low	31.5	Very low	109 Å²	109	136.4 Å²	136.4	76%	0.762	74%	0.743	S	S	*	*			trans	-177.1	80.3	161.8	25.2	0	0	0	0	109.8	P129	S127-P129 WeakPolarHBondContact O-CD 3.43Å
128	D	27.3	Very low	30.2	Very low	149 Å²	149	142.6 Å²	142.6	80%	0.797	76%	0.761	S	S	*	*			trans	-114.9	86.9	168.4	-145.1	-11.4	0	0	0	108.6	S130	D128-S130 VanDerWaalsContact C-N 3.33Å; D128-S130 PolarHBondContact O-N 3.06Å
129	P	33.3	Very low	29.7	Very low	124 Å²	124	143.5 Å²	143.5	81%	0.805	78%	0.775	S	S	*	*			trans	-90.2	71.1	179.3	36.1	-30.5	0	0	0	109	S127	S127-P129 WeakPolarHBondContact O-CD 3.43Å
130	S	26.4	Very low	28.9	Very low	85 Å²	85	145.8 Å²	145.8	59%	0.594	79%	0.79	S	S	*	*			trans	-131.1	93.8	167.2	71.1	0	0	0	0	110	D128	D128-S130 VanDerWaalsContact C-N 3.33Å; D128-S130 PolarHBondContact O-N 3.06Å
131	K	25.4	Very low	28.3	Very low	197 Å²	197	151 Å²	151	86%	0.857	81%	0.809	S	S	*	*			trans	167.2	88.1	155.2	-94.2	162.1	-169.7	-176.8	0	108.6
132	H	29.1	Very low	27.7	Very low	198 Å²	198	151.7 Å²	151.7	92%	0.917	81%	0.814	S	S	*	*			trans	-150.6	98.8	144.3	-95.4	-62.6	0	0	0	108.6
133	H	24.5	Very low	28	Very low	165 Å²	165	149.6 Å²	149.6	76%	0.764	81%	0.81	S	S	*	*			trans	-68.4	143.8	167.2	-100.3	-18.4	0	0	0	110.9
134	Q	23.2	Very low	27.9	Very low	157 Å²	157	151.1 Å²	151.1	73%	0.734	81%	0.81	S	S	*	*			trans	58.8	110.5	144.2	-62.6	178.2	0.9	0	0	118
135	H	27.7	Very low	27.8	Very low	188 Å²	188	149.4 Å²	149.4	87%	0.87	80%	0.802	S	S	*	*				-159.5	119.1	111.6	-105	-67.9	0	0	0	110.7
136	S	23.2	Very low	27.8	Very low	114 Å²	114	147 Å²	147	80%	0.797	80%	0.795	S	S	*	*			trans	-66.2	135.7	170.2	47.9	0	0	0	0	111.9
137	G	27.7	Very low	27.9	Very low	80 Å²	80	145 Å²	145	83%	0.825	78%	0.784	S	S	*	*			trans	-149.9	97.6	164.7	0	0	0	0	0	109.4
138	Q	22.7	Very low	28.2	Very low	193 Å²	193	147.2 Å²	147.2	90%	0.902	79%	0.787	S	S	*	*			trans	-78.4	130.2	171	-71	172.5	-32.6	0	0	109.8
139	V	28.8	Very low	28.3	Very low	140 Å²	140	147.2 Å²	147.2	85%	0.848	79%	0.787	S	S	*	*			trans	-156.4	90	150.5	-178.1	0	0	0	0	104.5
140	E	25.7	Very low	28.3	Very low	185 Å²	185	152.7 Å²	152.7	86%	0.864	79%	0.794	S	S	*	*				68	119.9	90.7	-153.5	168.2	-149.3	0	0	114.1
141	N	24.7	Very low	28.5	Very low	153 Å²	153	154.6 Å²	154.6	82%	0.818	80%	0.797	S	S	*	*			trans	-71.9	150.5	-171.1	-61.8	-56.3	0	0	0	112.6
142	Q	30.1	Very low	28.7	Very low	193 Å²	193	150.7 Å²	150.7	90%	0.902	79%	0.786	S	S	*	*			trans	-151.5	131.4	141.3	-111.1	175.8	17.8	0	0	111.2
143	P	41.7	Very low	28.7	Very low	106 Å²	106	147.2 Å²	147.2	69%	0.688	77%	0.774	S	S	*	*			trans	-93.7	169.8	172	38.7	-31.5	0	0	0	111.2
144	N	29.5	Very low	28.9	Very low	142 Å²	142	144.7 Å²	144.7	76%	0.759	77%	0.766	S	S	*	*			trans	137.5	144.7	160.6	-79.6	9.1	0	0	0	108.8
145	D	27.9	Very low	29.1	Very low	120 Å²	120	143 Å²	143	64%	0.642	76%	0.762	S	S	*	*			cis	179.9	146.4	-19.1	-107.7	-16.1	0	0	0	103.2
146	N	28.6	Very low	29.1	Very low	124 Å²	124	141 Å²	141	66%	0.663	75%	0.753	S	S	*	*			trans	68.3	118.4	146.1	-60.7	-11.9	0	0	0	121.5
147	D	30	Very low	29.5	Very low	124 Å²	124	144.9 Å²	144.9	66%	0.663	76%	0.755	S	S	*	*				60.8	122.3	119.1	-52.7	-26.1	0	0	0	119.1
148	N	34	Very low	29.6	Very low	154 Å²	154	147.5 Å²	147.5	82%	0.824	75%	0.75	S	S	*	*				-174.6	125.2	99.3	-88.5	-55.6	0	0	0	111
149	D	29.3	Very low	30.1	Very low	149 Å²	149	144.3 Å²	144.3	80%	0.797	74%	0.744	S	S	*	*			trans	-50.4	134.6	164.2	-70.4	-50.4	0	0	0	112
150	Y	34.6	Very low	29.9	Very low	239 Å²	239	146.1 Å²	146.1	94%	0.937	74%	0.744	S	S	*	*			trans	-114.3	94	149.7	-100.1	-83	0	0	0	107.5
151	D	30.2	Very low	29.9	Very low	126 Å²	126	144.3 Å²	144.3	67%	0.674	74%	0.74	S	S	*	*			trans	-83.7	165.5	172.7	-146.3	-4.6	0	0	0	110.5
152	N	29.3	Very low	30.2	Very low	114 Å²	114	147.2 Å²	147.2	61%	0.61	75%	0.745	S	S	*	*			trans	94.9	111.9	157.1	-69.6	-44.4	0	0	0	120.7
153	N	29.7	Very low	30	Very low	126 Å²	126	146.8 Å²	146.8	67%	0.674	74%	0.743	S	S	*	*				89.9	137.9	114	-75.2	-4.9	0	0	0	118
154	D	28.5	Very low	29.6	Very low	111 Å²	111	151.5 Å²	151.5	59%	0.594	75%	0.753	S	S	*	*			cis	177.7	156.8	-12.1	-136.1	-6.3	0	0	0	104.4
155	N	27.2	Very low	29.5	Very low	121 Å²	121	152.7 Å²	152.7	65%	0.647	76%	0.758	S	S	*	*			trans	69.5	145.2	140.8	-68.9	-24	0	0	0	120.1
156	H	28	Very low	29.3	Very low	147 Å²	147	154.1 Å²	154.1	68%	0.681	76%	0.764	S	S	*	*			cis	169.9	149.7	-8.1	-145.4	-51.2	0	0	0	103.8
157	K	32.5	Very low	29.3	Very low	196 Å²	196	155 Å²	155	85%	0.852	77%	0.774	S	S	*	*			trans	141.2	120.3	131.9	-80.1	-177.2	179.1	-179.9	0	116.3
158	D	29.4	Very low	29	Very low	134 Å²	134	156.9 Å²	156.9	72%	0.717	78%	0.779	S	S	*	*			trans	-62.2	160.2	158.1	-50.1	-75.2	0	0	0	114.4
159	T	32.4	Very low	28.9	Very low	127 Å²	127	154.7 Å²	154.7	78%	0.779	78%	0.776	S	S	*	*				167.4	111.9	128.8	25.6	0	0	0	0	109.7
160	E	24.7	Very low	29.8	Very low	178 Å²	178	152.5 Å²	152.5	83%	0.832	77%	0.77	S	S	*	*				72.5	112.9	92.5	-79.7	-165.7	161	0	0	117.9
161	N	25.1	Very low	29.6	Very low	147 Å²	147	148.1 Å²	148.1	79%	0.786	76%	0.762	S	S	*	*				52	111.8	127.8	-121.1	-1.5	0	0	0	120.7
162	K	31.7	Very low	29.4	Very low	213 Å²	213	147.9 Å²	147.9	93%	0.926	77%	0.766	S	S	*	*			trans	-144.1	113.2	154.6	-95.2	179.9	-177.9	170.3	0	112.1
163	Q	26.1	Very low	29.5	Very low	184 Å²	184	151.6 Å²	151.6	86%	0.86	78%	0.78	S	S	*	*			trans	-73.3	140.5	162.4	-73.6	163	-26.5	0	0	110.6
164	K	33.7	Very low	29.5	Very low	206 Å²	206	150.9 Å²	150.9	90%	0.896	78%	0.78	S	S	*	*			trans	-148.6	93	167.2	-110.5	-178.5	173.4	-174.2	0	106.8
165	L	25.8	Very low	29.6	Very low	167 Å²	167	151.8 Å²	151.8	87%	0.874	78%	0.784	S	S	*	*				57	118.1	98.8	-154.6	75.6	0	0	0	115
166	I	25.6	Very low	30	Very low	149 Å²	149	156.1 Å²	156.1	76%	0.764	79%	0.793	S	S	*	*			trans	-74.5	136	-178.9	-63.1	158.6	0	0	0	110.3
167	T	28.4	Very low	30.3	Very low	142 Å²	142	155.4 Å²	155.4	87%	0.871	79%	0.794	S	S	*	*			trans	-135	129.3	160.1	-46.1	0	0	0	0	108.7
168	E	23.5	Very low	30.8	Very low	165 Å²	165	151.9 Å²	151.9	77%	0.771	78%	0.784	S	S	*	*			trans	-89.7	147.7	-173	-81.5	-179.5	157.8	0	0	114.3
169	S	30.4	Very low	31.8	Very low	107 Å²	107	151.9 Å²	151.9	75%	0.748	78%	0.784	S	S	*	*			trans	78.4	164.1	145.2	-52.7	0	0	0	0	120
170	P	48.8	Very low	32.5	Very low	103 Å²	103	148.6 Å²	148.6	67%	0.669	77%	0.766	S	S	*	*				-129.4	171.6	-76	35.5	-17.2	0	0	0	111.7
171	D	30.8	Very low	33.9	Very low	147 Å²	147	145.8 Å²	145.8	79%	0.786	76%	0.757	S	S	*	*			trans	167.4	103.3	134.2	-81.6	-25	0	0	0	111.6
172	T	26	Very low	35.8	Very low	122 Å²	122	143.4 Å²	143.4	75%	0.748	74%	0.741	S	S	*	*			trans	17.2	109.1	136.2	-30.5	0	0	0	0	118.6
173	E	30.8	Very low	36.9	Very low	192 Å²	192	135.8 Å²	135.8	90%	0.897	72%	0.718	S	S	*	*			trans	-149.6	113.1	136.5	-126.1	171.9	-172.9	0	0	109.1	D175	E173-D175 PolarHBondContact O-N 3.06Å; E173-D175 VanDerWaalsContact O-N 3.15Å
174	V	29.5	Very low	38.6	Very low	111 Å²	111	130.5 Å²	130.5	67%	0.673	70%	0.698	S	S	*	*			trans	-80.8	89.9	-177.8	-179.9	0	0	0	0	107.1	Y176	V174-Y176 HydrophobicContact CG1-CD2 4.04Å; V174-Y176 HydrophobicContact CG1-CE2 3.75Å; V174-Y176 PolarHBondContact O-N 2.9Å
175	D	31.8	Very low	40.1	Very low	130 Å²	130	125.7 Å²	125.7	70%	0.695	68%	0.682	S	S	*	*			trans	-84	106.8	176	-153.3	3.4	0	0	0	109.3	E173 L177	E173-D175 PolarHBondContact O-N 3.06Å; E173-D175 VanDerWaalsContact O-N 3.15Å; D175-L177 VanDerWaalsContact CG-CD1 3.45Å; D175-L177 PolarHBondContact O-N 3.38Å; D175-L177 WeakPolarHBondContact OD1-CD1 3.2Å; D175-L177 VanDerWaalsContact OD2-CD1 3.25Å; D175-L177 WeakPolarHBondContact OD2-CD1 3.47Å
176	Y	34.8	Very low	41.8	Very low	211 Å²	211	125.7 Å²	125.7	83%	0.827	67%	0.67	S	S	*	*			trans	-73	69.8	173.7	-79.8	-93.6	0	0	0	109.4	V174 D178	V174-Y176 HydrophobicContact CG1-CD2 4.04Å; V174-Y176 HydrophobicContact CG1-CE2 3.75Å; V174-Y176 PolarHBondContact O-N 2.9Å; Y176-D178 PolarHBondContact O-N 3.3Å
177	L	34.4	Very low	43.2	Very low	133 Å²	133	123 Å²	123	70%	0.696	66%	0.657	S	S	*	*			trans	-94.6	96.3	168.7	-104.8	96.5	0	0	0	111.1	D175	D175-L177 VanDerWaalsContact CG-CD1 3.45Å; D175-L177 PolarHBondContact O-N 3.38Å; D175-L177 WeakPolarHBondContact OD1-CD1 3.2Å; D175-L177 VanDerWaalsContact OD2-CD1 3.25Å; D175-L177 WeakPolarHBondContact OD2-CD1 3.47Å
178	D	44	Very low	44.7	Very low	122 Å²	122	123.6 Å²	123.6	65%	0.652	65%	0.647	S	S	*	*			trans	46.5	90.5	137.5	-153.4	2.7	0	0	0	118.1	Y176 S180	Y176-D178 PolarHBondContact O-N 3.3Å; D178-S180 PolarHBondContact O-N 3.36Å; D178-S180 VanDerWaalsContact OD1-CB 3.32Å; D178-S180 WeakPolarHBondContact OD1-CB 3.14Å; D178-S180 PolarHBondContact OD1-N 2.73Å
179	N	48.8	Very low	46.8	Very low	133 Å²	133	120.4 Å²	120.4	71%	0.711	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	2	169.5	-79.7	-23.3	0	0	0	115.2	D181 E182 A183	N179-D181 VanDerWaalsContact C-N 3.3Å; N179-D181 PolarHBondContact O-N 3.23Å; N179-E182 PolarHBondContact O-N 3.34Å; N179-A183 WeakPolarHBondContact O-CB 3.41Å; N179-A183 PolarHBondContact O-N 3.08Å; N179-A183 VanDerWaalsContact O-N 3.08Å
180	S	48.1	Very low	48	Very low	58 Å²	58	118 Å²	118	41%	0.406	62%	0.618	S	S	.	*	H	α-helix	trans	-60.7	-37.4	175.7	-171.7	0	0	0	0	112.3	D178 A183 T184	D178-S180 PolarHBondContact O-N 3.36Å; D178-S180 VanDerWaalsContact OD1-CB 3.32Å; D178-S180 WeakPolarHBondContact OD1-CB 3.14Å; D178-S180 PolarHBondContact OD1-N 2.73Å; S180-A183 PolarHBondContact O-N 3.03Å; S180-T184 WeakPolarHBondContact O-CB 3.35Å; S180-T184 WeakPolarHBondContact O-CG2 3.44Å; S180-T184 PolarHBondContact O-N 3.05Å; S180-T184 PolarHBondContact O-OG1 3.32Å
181	D	53.8	Low	48.2	Very low	119 Å²	119	119.3 Å²	119.3	64%	0.636	61%	0.614	S	S	*	*	H	α-helix	trans	-71.1	-37.4	-179.4	-82.1	-7.1	0	0	0	112.5	N179 T184 L185	N179-D181 VanDerWaalsContact C-N 3.3Å; N179-D181 PolarHBondContact O-N 3.23Å; D181-T184 WeakPolarHBondContact CA-OG1 3.44Å; D181-T184 PolarHBondContact O-OG1 3.11Å; D181-L185 WeakPolarHBondContact O-CB 3.44Å; D181-L185 WeakPolarHBondContact O-CD1 3.42Å; D181-L185 WeakPolarHBondContact O-CG 3.28Å; D181-L185 PolarHBondContact O-N 3.21Å
182	E	64.5	Low	49.4	Very low	98 Å²	98	118.4 Å²	118.4	46%	0.458	60%	0.603	S	S	.	*	H	α-helix	trans	-71.1	-38.7	174.6	-173.9	167.2	164.6	0	0	111.6	N179 L185 R186	N179-E182 PolarHBondContact O-N 3.34Å; E182-L185 PolarHBondContact O-N 2.7Å; E182-R186 WeakPolarHBondContact O-CB 3.33Å; E182-R186 WeakPolarHBondContact O-CG 3.5Å; E182-R186 PolarHBondContact O-N 2.88Å; E182-R186 IonicContact OE1-CZ 3.37Å; E182-R186 IonicContact OE1-NE 2.68Å; E182-R186 IonicContact OE1-NH1 3.32Å; E182-R186 IonicContact OE1-NH2 3.83Å; E182-R186 PolarHBondContact OE1-NH2 2.84Å
183	A	55	Low	50.9	Low	53 Å²	53	115.8 Å²	115.8	44%	0.438	59%	0.587	S	S	.	*	H	α-helix	trans	-64.6	-41.1	175.8	0	0	0	0	0	111.9	N179 S180 R186 L187	N179-A183 WeakPolarHBondContact O-CB 3.41Å; N179-A183 PolarHBondContact O-N 3.08Å; N179-A183 VanDerWaalsContact O-N 3.08Å; S180-A183 PolarHBondContact O-N 3.03Å; A183-R186 PolarHBondContact O-N 3.23Å; A183-L187 WeakPolarHBondContact O-CB 3.3Å; A183-L187 WeakPolarHBondContact O-CG 3.37Å; A183-L187 PolarHBondContact O-N 3.37Å
184	T	62.9	Low	51.7	Low	72 Å²	72	112.5 Å²	112.5	44%	0.442	57%	0.567	S	S	.	*	H	α-helix	trans	-71	-38.3	177	50.3	0	0	0	0	112.5	S180 D181 L187 K188	S180-T184 WeakPolarHBondContact O-CB 3.35Å; S180-T184 WeakPolarHBondContact O-CG2 3.44Å; S180-T184 PolarHBondContact O-N 3.05Å; S180-T184 PolarHBondContact O-OG1 3.32Å; D181-T184 WeakPolarHBondContact CA-OG1 3.44Å; D181-T184 PolarHBondContact O-OG1 3.11Å; T184-L187 PolarHBondContact O-N 3.21Å; T184-K188 WeakPolarHBondContact O-CB 3.35Å; T184-K188 PolarHBondContact O-N 3.3Å
185	L	65.1	Low	52.3	Low	105 Å²	105	114 Å²	114	55%	0.55	57%	0.567	S	S	.	*	H	α-helix	trans	-60.3	-46	171.1	-82.6	163	0	0	0	111.5	D181 E182 L187 K188 D189	D181-L185 WeakPolarHBondContact O-CB 3.44Å; D181-L185 WeakPolarHBondContact O-CD1 3.42Å; D181-L185 WeakPolarHBondContact O-CG 3.28Å; D181-L185 PolarHBondContact O-N 3.21Å; E182-L185 PolarHBondContact O-N 2.7Å; L185-L187 VanDerWaalsContact C-N 3.34Å; L185-L187 PolarHBondContact O-N 3.15Å; L185-K188 PolarHBondContact O-N 2.7Å; L185-K188 VanDerWaalsContact O-N 3.16Å; L185-D189 PolarHBondContact O-N 3.39Å
186	R	61.3	Low	53.2	Low	167 Å²	167	112.9 Å²	112.9	63%	0.63	56%	0.558	S	S	*	*	H	α-helix	trans	-63.7	-38.1	175.8	-75.9	-168.6	178.2	156.9	9.8	112.7	E182 A183 S190	E182-R186 WeakPolarHBondContact O-CB 3.33Å; E182-R186 WeakPolarHBondContact O-CG 3.5Å; E182-R186 PolarHBondContact O-N 2.88Å; E182-R186 IonicContact OE1-CZ 3.37Å; E182-R186 IonicContact OE1-NE 2.68Å; E182-R186 IonicContact OE1-NH1 3.32Å; E182-R186 IonicContact OE1-NH2 3.83Å; E182-R186 PolarHBondContact OE1-NH2 2.84Å; A183-R186 PolarHBondContact O-N 3.23Å; R186-S190 VanDerWaalsContact O-CB 3.29Å; R186-S190 WeakPolarHBondContact O-CB 3.46Å; R186-S190 PolarHBondContact O-N 3.08Å; R186-S190 PolarHBondContact O-OG 3.12Å
187	L	54.4	Low	53.5	Low	92 Å²	92	110.2 Å²	110.2	48%	0.482	55%	0.546	S	S	.	.	H	α-helix	trans	-63	-44.7	172.5	-81.3	163.9	0	0	0	110.9	A183 T184 L185 D189 S190 F191	A183-L187 WeakPolarHBondContact O-CB 3.3Å; A183-L187 WeakPolarHBondContact O-CG 3.37Å; A183-L187 PolarHBondContact O-N 3.37Å; T184-L187 PolarHBondContact O-N 3.21Å; L185-L187 VanDerWaalsContact C-N 3.34Å; L185-L187 PolarHBondContact O-N 3.15Å; L187-D189 PolarHBondContact O-N 2.65Å; L187-S190 WeakPolarHBondContact CA-OG 3.49Å; L187-S190 PolarHBondContact O-N 3.19Å; L187-S190 PolarHBondContact O-OG 3.32Å; L187-F191 WeakPolarHBondContact O-CB 3.35Å; L187-F191 WeakPolarHBondContact O-CD2 3.1Å; L187-F191 PolarHBondContact O-N 3.02Å
188	K	60.3	Low	53.5	Low	156 Å²	156	109.2 Å²	109.2	68%	0.678	54%	0.538	S	S	*	.	H	α-helix	trans	-64	-41.3	179.3	-164.2	172.7	-174.9	176.6	0	112.4	T184 L185 F191 K192	T184-K188 WeakPolarHBondContact O-CB 3.35Å; T184-K188 PolarHBondContact O-N 3.3Å; L185-K188 PolarHBondContact O-N 2.7Å; L185-K188 VanDerWaalsContact O-N 3.16Å; K188-F191 PolarHBondContact O-N 3.09Å; K188-K192 WeakPolarHBondContact O-CB 3.45Å; K188-K192 PolarHBondContact O-N 3.29Å
189	D	66.4	Low	53.3	Low	97 Å²	97	112.4 Å²	112.4	52%	0.519	55%	0.546	S	S	.	.	H	α-helix	trans	-67	-39.1	173.8	-76.7	-17.3	0	0	0	111.7	L185 L187 K192 T193	L185-D189 PolarHBondContact O-N 3.39Å; L187-D189 PolarHBondContact O-N 2.65Å; D189-K192 PolarHBondContact O-N 3Å; D189-T193 WeakPolarHBondContact O-CB 3.36Å; D189-T193 PolarHBondContact O-N 3.14Å; D189-T193 PolarHBondContact O-OG1 3.16Å
190	S	57	Low	52.7	Low	56 Å²	56	114.6 Å²	114.6	39%	0.392	55%	0.545	S	S	.	.	H	α-helix	trans	-65.2	-39.4	174.7	79.9	0	0	0	0	112.1	R186 L187 T193 Y194	R186-S190 VanDerWaalsContact O-CB 3.29Å; R186-S190 WeakPolarHBondContact O-CB 3.46Å; R186-S190 PolarHBondContact O-N 3.08Å; R186-S190 PolarHBondContact O-OG 3.12Å; L187-S190 WeakPolarHBondContact CA-OG 3.49Å; L187-S190 PolarHBondContact O-N 3.19Å; L187-S190 PolarHBondContact O-OG 3.32Å; S190-T193 PolarHBondContact O-N 2.96Å; S190-Y194 WeakPolarHBondContact O-CB 3.41Å; S190-Y194 PolarHBondContact O-N 2.81Å
191	F	52.4	Low	52.2	Low	132 Å²	132	119.1 Å²	119.1	58%	0.579	56%	0.558	S	S	*	*	H	α-helix	trans	-67.1	-42.4	175.1	-95.7	-73.2	0	0	0	111.4	L187 K188 T193 Y194 E195	L187-F191 WeakPolarHBondContact O-CB 3.35Å; L187-F191 WeakPolarHBondContact O-CD2 3.1Å; L187-F191 PolarHBondContact O-N 3.02Å; K188-F191 PolarHBondContact O-N 3.09Å; F191-T193 VanDerWaalsContact C-N 3.34Å; F191-Y194 WeakPolarHBondContact O-CB 3.46Å; F191-Y194 PolarHBondContact O-N 3.34Å; F191-E195 WeakPolarHBondContact O-CB 3.44Å; F191-E195 WeakPolarHBondContact O-CG 3.4Å; F191-E195 PolarHBondContact O-N 3.09Å
192	K	56.6	Low	51.5	Low	128 Å²	128	116.2 Å²	116.2	56%	0.557	55%	0.546	S	S	*	.	H	α-helix	trans	-61.7	-43.6	173.9	-172	-177.4	176.3	-169.8	0	111.2	K188 D189 Y194 E195 E196	K188-K192 WeakPolarHBondContact O-CB 3.45Å; K188-K192 PolarHBondContact O-N 3.29Å; D189-K192 PolarHBondContact O-N 3Å; K192-Y194 VanDerWaalsContact C-N 3.3Å; K192-Y194 PolarHBondContact O-N 3.38Å; K192-E195 PolarHBondContact O-N 3.48Å; K192-E196 WeakPolarHBondContact CE-OE1 3.36Å; K192-E196 WeakPolarHBondContact O-CB 3.49Å; K192-E196 VanDerWaalsContact O-CG 3.3Å; K192-E196 WeakPolarHBondContact O-CG 3.45Å; K192-E196 PolarHBondContact O-N 2.86Å
193	T	57.7	Low	50.7	Low	66 Å²	66	113.6 Å²	113.6	41%	0.405	54%	0.535	S	S	.	.	H	α-helix	trans	-63.2	-36.6	174.9	-52.2	0	0	0	0	111.4	D189 S190 F191 R197	D189-T193 WeakPolarHBondContact O-CB 3.36Å; D189-T193 PolarHBondContact O-N 3.14Å; D189-T193 PolarHBondContact O-OG1 3.16Å; S190-T193 PolarHBondContact O-N 2.96Å; F191-T193 VanDerWaalsContact C-N 3.34Å; T193-R197 VanDerWaalsContact O-CG 3.31Å; T193-R197 WeakPolarHBondContact O-CG 3.45Å; T193-R197 PolarHBondContact O-N 2.86Å
194	Y	47.4	Very low	50.1	Low	123 Å²	123	112.1 Å²	112.1	48%	0.482	52%	0.52	S	S	.	.	H	α-helix	trans	-69.1	-44.8	175.8	-178.1	-90.6	0	0	0	112.4	S190 F191 K192 R197 Q198	S190-Y194 WeakPolarHBondContact O-CB 3.41Å; S190-Y194 PolarHBondContact O-N 2.81Å; F191-Y194 WeakPolarHBondContact O-CB 3.46Å; F191-Y194 PolarHBondContact O-N 3.34Å; K192-Y194 VanDerWaalsContact C-N 3.3Å; K192-Y194 PolarHBondContact O-N 3.38Å; Y194-R197 WeakPolarHBondContact O-CB 3.4Å; Y194-R197 PolarHBondContact O-N 3.34Å; Y194-R197 VanDerWaalsContact O-N 3.16Å; Y194-Q198 HydrophobicContact CD1-CG 4.38Å; Y194-Q198 HydrophobicContact CE1-CG 3.98Å; Y194-Q198 PolarHBondContact O-N 3.42Å; Y194-Q198 PolarHBondContact OH-NE2 3.08Å
195	E	41.9	Very low	49.1	Very low	142 Å²	142	113.7 Å²	113.7	66%	0.664	52%	0.522	S	S	*	.	H	α-helix	trans	-61.5	-43	173.5	-79.3	-103.9	147.1	0	0	111.5	F191 K192 R197 Q198 K199	F191-E195 WeakPolarHBondContact O-CB 3.44Å; F191-E195 WeakPolarHBondContact O-CG 3.4Å; F191-E195 PolarHBondContact O-N 3.09Å; K192-E195 PolarHBondContact O-N 3.48Å; E195-R197 VanDerWaalsContact C-N 3.25Å; E195-R197 PolarHBondContact O-N 2.91Å; E195-Q198 PolarHBondContact O-N 3.06Å; E195-K199 PolarHBondContact O-N 3.45Å
196	E	49.6	Very low	48.1	Very low	108 Å²	108	114.8 Å²	114.8	51%	0.505	53%	0.528	S	S	.	.	H	α-helix	trans	-61.9	-33.7	174.3	-76.1	175.9	-172.3	0	0	111.8	K192 K199 Y200	K192-E196 WeakPolarHBondContact CE-OE1 3.36Å; K192-E196 WeakPolarHBondContact O-CB 3.49Å; K192-E196 VanDerWaalsContact O-CG 3.3Å; K192-E196 WeakPolarHBondContact O-CG 3.45Å; K192-E196 PolarHBondContact O-N 2.86Å; E196-K199 WeakPolarHBondContact O-CB 3.38Å; E196-K199 PolarHBondContact O-N 3.07Å; E196-Y200 VanDerWaalsContact O-CD2 3.26Å; E196-Y200 WeakPolarHBondContact O-CD2 3.41Å; E196-Y200 WeakPolarHBondContact O-CE2 3.48Å
197	R	42.2	Very low	47.3	Very low	154 Å²	154	107.4 Å²	107.4	58%	0.581	50%	0.502	S	S	*	.	H	α-helix	trans	-68.3	-36.9	171.2	-74.6	176.1	-171.3	-157.1	3.6	112.7	T193 Y194 E195 K199 Y200	T193-R197 VanDerWaalsContact O-CG 3.31Å; T193-R197 WeakPolarHBondContact O-CG 3.45Å; T193-R197 PolarHBondContact O-N 2.86Å; Y194-R197 WeakPolarHBondContact O-CB 3.4Å; Y194-R197 PolarHBondContact O-N 3.34Å; Y194-R197 VanDerWaalsContact O-N 3.16Å; E195-R197 VanDerWaalsContact C-N 3.25Å; E195-R197 PolarHBondContact O-N 2.91Å; R197-K199 VanDerWaalsContact C-N 3.3Å; R197-K199 PolarHBondContact O-N 3.1Å; R197-Y200 WeakPolarHBondContact O-CB 3.34Å; R197-Y200 PolarHBondContact O-N 3.29Å; R197-Y200 VanDerWaalsContact O-N 3.16Å
198	Q	34.2	Very low	47.1	Very low	113 Å²	113	106.3 Å²	106.3	53%	0.528	50%	0.501	S	S	.	.	H	α-helix	trans	-69.6	-26.6	176.5	-71.4	-67.9	-11.7	0	0	113	Y194 E195 Y200	Y194-Q198 HydrophobicContact CD1-CG 4.38Å; Y194-Q198 HydrophobicContact CE1-CG 3.98Å; Y194-Q198 PolarHBondContact O-N 3.42Å; Y194-Q198 PolarHBondContact OH-NE2 3.08Å; E195-Q198 PolarHBondContact O-N 3.06Å; Q198-Y200 CarbonylContact O-C 3.42Å; Q198-Y200 PolarHBondContact O-N 3.11Å; Q198-Y200 VanDerWaalsContact O-N 3.08Å
199	K	40.8	Very low	46.6	Very low	188 Å²	188	99.6 Å²	99.6	82%	0.817	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.3	171.9	-155.2	175.7	-176	-178.8	0	112.2	E195 E196 R197 K201	E195-K199 PolarHBondContact O-N 3.45Å; E196-K199 WeakPolarHBondContact O-CB 3.38Å; E196-K199 PolarHBondContact O-N 3.07Å; R197-K199 VanDerWaalsContact C-N 3.3Å; R197-K199 PolarHBondContact O-N 3.1Å; K199-K201 PolarHBondContact O-N 2.92Å
200	Y	36.3	Very low	45.7	Very low	180 Å²	180	95.2 Å²	95.2	71%	0.706	45%	0.448	S	S	*	.	S	Bend	trans	-83.1	90.5	162.6	-57.5	-83.9	0	0	0	109.1	E196 R197 Q198 S202	E196-Y200 VanDerWaalsContact O-CD2 3.26Å; E196-Y200 WeakPolarHBondContact O-CD2 3.41Å; E196-Y200 WeakPolarHBondContact O-CE2 3.48Å; R197-Y200 WeakPolarHBondContact O-CB 3.34Å; R197-Y200 PolarHBondContact O-N 3.29Å; R197-Y200 VanDerWaalsContact O-N 3.16Å; Q198-Y200 CarbonylContact O-C 3.42Å; Q198-Y200 PolarHBondContact O-N 3.11Å; Q198-Y200 VanDerWaalsContact O-N 3.08Å; Y200-S202 PolarHBondContact O-N 3.03Å
201	K	36.2	Very low	44.9	Very low	153 Å²	153	97.2 Å²	97.2	67%	0.665	45%	0.451	S	S	*	.			trans	-48.5	111.4	173.5	-150.7	-179.4	-174.3	-166.9	0	108.6	K199 I203	K199-K201 PolarHBondContact O-N 2.92Å; K201-I203 PolarHBondContact O-N 3.07Å; K201-I203 VanDerWaalsContact O-N 3.12Å
202	S	39.7	Very low	44.6	Very low	57 Å²	57	93.8 Å²	93.8	40%	0.399	44%	0.438	S	S	.	.			trans	-53.7	122.2	179.3	176	0	0	0	0	108.9	Y200 I204 Q205	Y200-S202 PolarHBondContact O-N 3.03Å; S202-I204 PolarHBondContact O-N 3.49Å; S202-Q205 PolarHBondContact O-N 3.41Å
203	I	48.3	Very low	43.9	Very low	43 Å²	43	92 Å²	92	22%	0.221	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-12.1	-178.7	-51.4	160.2	0	0	0	112.8	K201 K579 A599 E601	K201-I203 PolarHBondContact O-N 3.07Å; K201-I203 VanDerWaalsContact O-N 3.12Å; I203-K579 PolarHBondContact O-NZ 3.09Å; I203-A599 HydrophobicContact CD1-CB 3.37Å; I203-A599 WeakPolarHBondContact CD1-O 3.11Å; I203-E601 HydrophobicContact CG2-CB 4.34Å
204	I	41.5	Very low	43.4	Very low	22 Å²	22	90.4 Å²	90.4	11%	0.113	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-30.5	-172.8	26.2	161	0	0	0	116.5	S202 D206 T207 Y210 T214	S202-I204 PolarHBondContact O-N 3.49Å; I204-D206 VanDerWaalsContact C-N 3.34Å; I204-D206 PolarHBondContact O-N 3.26Å; I204-T207 PolarHBondContact O-N 2.91Å; I204-Y210 HydrophobicContact CB-CG 4.43Å; I204-Y210 HydrophobicContact CD1-CD1 3.7Å; I204-Y210 HydrophobicContact CD1-CE1 4.43Å; I204-Y210 HydrophobicContact CD1-CG 3.95Å; I204-Y210 HydrophobicContact CG2-CD2 4.03Å; I204-Y210 HydrophobicContact CG2-CG 3.76Å; I204-T214 HydrophobicContact CB-CG2 3.59Å; I204-T214 HydrophobicContact CD1-CG2 3.58Å; I204-T214 HydrophobicContact CG1-CG2 3.52Å
205	Q	41.2	Very low	43.2	Very low	105 Å²	105	90.3 Å²	90.3	49%	0.491	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-37	-160.5	-72.8	-176.3	-14.8	0	0	112.4	S202 T207 Q211	S202-Q205 PolarHBondContact O-N 3.41Å; Q205-T207 PolarHBondContact O-N 3.14Å; Q205-Q211 PolarHBondContact O-NE2 3Å
206	D	44.3	Very low	43.5	Very low	128 Å²	128	89.9 Å²	89.9	68%	0.684	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	7.3	-174.8	-61.1	-36.9	0	0	0	113.9	I204	I204-D206 VanDerWaalsContact C-N 3.34Å; I204-D206 PolarHBondContact O-N 3.26Å
207	T	45.4	Very low	43.3	Very low	12 Å²	12	86.8 Å²	86.8	7%	0.074	41%	0.412	C	S	.	.			trans	-116.9	97.8	171.6	-35	0	0	0	0	109.5	I204 Q205 L209 Y210 Q211 M576 K579	I204-T207 PolarHBondContact O-N 2.91Å; Q205-T207 PolarHBondContact O-N 3.14Å; T207-L209 PolarHBondContact O-N 3.23Å; T207-Y210 HydrophobicContact CG2-CD2 3.93Å; T207-Y210 PolarHBondContact O-N 2.93Å; T207-Q211 PolarHBondContact O-N 3.37Å; T207-M576 HydrophobicContact CG2-CE 3.99Å; T207-M576 HydrophobicContact CG2-SD 4.35Å; T207-K579 PolarHBondContact OG1-NZ 3.07Å; T207-K579 VanDerWaalsContact OG1-NZ 3.08Å
208	P	50.3	Low	43.5	Very low	70 Å²	70	82 Å²	82	46%	0.455	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	-28.1	-173.3	-27.5	32.7	0	0	0	114.7
209	L	50.5	Low	44.3	Very low	14 Å²	14	80.7 Å²	80.7	7%	0.073	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-26	177.9	-80.1	174.6	0	0	0	114.1	T207 R431 H432 Y488	T207-L209 PolarHBondContact O-N 3.23Å; L209-R431 HydrophobicContact CD2-CG 3.79Å; L209-H432 VanDerWaalsContact CD2-CD2 3.43Å; L209-H432 WeakPolarHBondContact CD2-CD2 3.39Å; L209-Y488 HydrophobicContact CD1-CD2 4.23Å
210	Y	45.6	Very low	44.7	Very low	6 Å²	6	74.1 Å²	74.1	2%	0.024	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-14.2	-178.7	-85.8	-82.6	0	0	0	113.9	I204 T207 I212 Y213 T214 Y488 M576 E580	I204-Y210 HydrophobicContact CB-CG 4.43Å; I204-Y210 HydrophobicContact CD1-CD1 3.7Å; I204-Y210 HydrophobicContact CD1-CE1 4.43Å; I204-Y210 HydrophobicContact CD1-CG 3.95Å; I204-Y210 HydrophobicContact CG2-CD2 4.03Å; I204-Y210 HydrophobicContact CG2-CG 3.76Å; T207-Y210 HydrophobicContact CG2-CD2 3.93Å; T207-Y210 PolarHBondContact O-N 2.93Å; Y210-I212 PolarHBondContact O-N 3.08Å; Y210-I212 VanDerWaalsContact O-N 3.14Å; Y210-Y213 HydrophobicContact CD1-CD2 4.07Å; Y210-Y213 HydrophobicContact CD1-CG 4.43Å; Y210-Y213 CarbonylContact O-C 3.55Å; Y210-Y213 WeakPolarHBondContact O-CA 3.33Å; Y210-Y213 PolarHBondContact O-N 2.9Å; Y210-T214 PolarHBondContact O-N 3.49Å; Y210-T214 PolarHBondContact O-OG1 2.88Å; Y210-T214 VanDerWaalsContact O-OG1 3.12Å; Y210-Y488 AromaticContact CE2-CZ 3.92Å; Y210-Y488 WeakPolarHBondContact CE2-OH 3.49Å; Y210-Y488 PolarHBondContact OH-OH 2.9Å; Y210-M576 HydrophobicContact CE2-CE 3.99Å; Y210-E580 PolarHBondContact OH-OE2 3.34Å
211	Q	41	Very low	45.3	Very low	97 Å²	97	71.1 Å²	71.1	45%	0.453	37%	0.368	S	S	.	.	H	α-helix	trans	-49.8	-41	174.6	-73.6	-179.1	-10.9	0	0	111.1	Q205 T207 Y213 T214 E215	Q205-Q211 PolarHBondContact O-NE2 3Å; T207-Q211 PolarHBondContact O-N 3.37Å; Q211-Y213 PolarHBondContact O-N 3.19Å; Q211-T214 VanDerWaalsContact CA-OG1 3.29Å; Q211-T214 WeakPolarHBondContact CA-OG1 3.47Å; Q211-T214 PolarHBondContact O-N 3.27Å; Q211-T214 PolarHBondContact O-OG1 3.26Å; Q211-E215 VanDerWaalsContact O-CB 3.26Å; Q211-E215 WeakPolarHBondContact O-CB 3.47Å; Q211-E215 PolarHBondContact O-N 3.47Å
212	I	46.9	Very low	46.1	Very low	61 Å²	61	67 Å²	67	31%	0.313	36%	0.358	S	S	.	.	H	α-helix	trans	-64.8	-40.2	176.1	-55.8	173	0	0	0	112.2	Y210 K216 I428	Y210-I212 PolarHBondContact O-N 3.08Å; Y210-I212 VanDerWaalsContact O-N 3.14Å; I212-K216 HydrophobicContact CG2-CD 4.46Å; I212-K216 WeakPolarHBondContact O-CB 3.42Å; I212-K216 WeakPolarHBondContact O-CG 3.42Å; I212-K216 PolarHBondContact O-N 3.38Å; I212-I428 HydrophobicContact CD1-CG1 4.5Å
213	Y	42	Very low	46.9	Very low	89 Å²	89	71.3 Å²	71.3	35%	0.349	37%	0.366	S	S	.	.	H	α-helix	trans	-71.2	-38.7	178.3	-74.3	-74	0	0	0	111.7	Y210 Q211 A217	Y210-Y213 HydrophobicContact CD1-CD2 4.07Å; Y210-Y213 HydrophobicContact CD1-CG 4.43Å; Y210-Y213 CarbonylContact O-C 3.55Å; Y210-Y213 WeakPolarHBondContact O-CA 3.33Å; Y210-Y213 PolarHBondContact O-N 2.9Å; Q211-Y213 PolarHBondContact O-N 3.19Å; Y213-A217 WeakPolarHBondContact O-CB 3.49Å; Y213-A217 PolarHBondContact O-N 2.89Å
214	T	45.6	Very low	47.3	Very low	34 Å²	34	76.8 Å²	76.8	21%	0.209	38%	0.384	C	S	.	.	H	α-helix	trans	-67	-41	174.4	42.9	0	0	0	0	111.5	I204 Y210 Q211 A217 S218	I204-T214 HydrophobicContact CB-CG2 3.59Å; I204-T214 HydrophobicContact CD1-CG2 3.58Å; I204-T214 HydrophobicContact CG1-CG2 3.52Å; Y210-T214 PolarHBondContact O-N 3.49Å; Y210-T214 PolarHBondContact O-OG1 2.88Å; Y210-T214 VanDerWaalsContact O-OG1 3.12Å; Q211-T214 VanDerWaalsContact CA-OG1 3.29Å; Q211-T214 WeakPolarHBondContact CA-OG1 3.47Å; Q211-T214 PolarHBondContact O-N 3.27Å; Q211-T214 PolarHBondContact O-OG1 3.26Å; T214-A217 PolarHBondContact O-N 3.26Å; T214-S218 VanDerWaalsContact O-CB 3.22Å; T214-S218 WeakPolarHBondContact O-CB 3.49Å; T214-S218 PolarHBondContact O-N 2.93Å; T214-S218 PolarHBondContact O-OG 3.15Å
215	E	44	Very low	47.8	Very low	120 Å²	120	78.7 Å²	78.7	56%	0.561	39%	0.394	S	S	*	.	H	α-helix	trans	-65.2	-47.8	178.6	-168.9	171.8	-157.8	0	0	110	Q211 A217 S218 I219	Q211-E215 VanDerWaalsContact O-CB 3.26Å; Q211-E215 WeakPolarHBondContact O-CB 3.47Å; Q211-E215 PolarHBondContact O-N 3.47Å; E215-A217 PolarHBondContact O-N 3.06Å; E215-S218 WeakPolarHBondContact CA-OG 3.49Å; E215-S218 PolarHBondContact O-N 3.49Å; E215-S218 PolarHBondContact O-OG 2.91Å; E215-I219 HydrophobicContact CG-CD1 3.93Å; E215-I219 WeakPolarHBondContact O-CB 3.43Å; E215-I219 VanDerWaalsContact O-CG1 3.24Å; E215-I219 WeakPolarHBondContact O-CG1 3.43Å; E215-I219 PolarHBondContact O-N 3.27Å
216	K	48	Very low	48.5	Very low	133 Å²	133	76 Å²	76	58%	0.578	39%	0.389	S	S	*	.	H	α-helix	trans	-60.5	-42	173.5	-74	-172.7	179.5	-169.8	0	113.3	I212 S220	I212-K216 HydrophobicContact CG2-CD 4.46Å; I212-K216 WeakPolarHBondContact O-CB 3.42Å; I212-K216 WeakPolarHBondContact O-CG 3.42Å; I212-K216 PolarHBondContact O-N 3.38Å; K216-S220 WeakPolarHBondContact O-CB 3.28Å; K216-S220 PolarHBondContact O-N 3.33Å
217	A	44.5	Very low	48.9	Very low	43 Å²	43	77.6 Å²	77.6	36%	0.355	39%	0.386	S	S	.	.	H	α-helix	trans	-63.6	-46.3	177	0	0	0	0	0	110.8	Y213 T214 E215 S220 E221	Y213-A217 WeakPolarHBondContact O-CB 3.49Å; Y213-A217 PolarHBondContact O-N 2.89Å; T214-A217 PolarHBondContact O-N 3.26Å; E215-A217 PolarHBondContact O-N 3.06Å; A217-S220 CarbonylContact O-C 3.59Å; A217-S220 PolarHBondContact O-N 2.99Å; A217-S220 VanDerWaalsContact O-N 3.14Å; A217-S220 PolarHBondContact O-OG 2.78Å; A217-E221 WeakPolarHBondContact O-CB 3.44Å; A217-E221 PolarHBondContact O-N 3.16Å
218	S	46.9	Very low	49.1	Very low	54 Å²	54	84.9 Å²	84.9	38%	0.378	41%	0.412	S	S	.	.	H	α-helix	trans	-62.8	-44	178.4	71.4	0	0	0	0	112.1	T214 E215 S220 E221 S222	T214-S218 VanDerWaalsContact O-CB 3.22Å; T214-S218 WeakPolarHBondContact O-CB 3.49Å; T214-S218 PolarHBondContact O-N 2.93Å; T214-S218 PolarHBondContact O-OG 3.15Å; E215-S218 WeakPolarHBondContact CA-OG 3.49Å; E215-S218 PolarHBondContact O-N 3.49Å; E215-S218 PolarHBondContact O-OG 2.91Å; S218-S220 VanDerWaalsContact C-N 3.3Å; S218-S220 PolarHBondContact O-N 3.03Å; S218-E221 PolarHBondContact O-N 3.1Å; S218-S222 WeakPolarHBondContact O-CB 3.41Å; S218-S222 PolarHBondContact O-N 2.93Å; S218-S222 PolarHBondContact O-OG 2.94Å; S218-S222 VanDerWaalsContact O-OG 3.07Å
219	I	52.1	Low	48.8	Very low	85 Å²	85	86.5 Å²	86.5	44%	0.436	42%	0.417	S	S	.	.	H	α-helix	trans	-62.2	-40	174.4	-66.9	165.1	0	0	0	110.3	E215 R223	E215-I219 HydrophobicContact CG-CD1 3.93Å; E215-I219 WeakPolarHBondContact O-CB 3.43Å; E215-I219 VanDerWaalsContact O-CG1 3.24Å; E215-I219 WeakPolarHBondContact O-CG1 3.43Å; E215-I219 PolarHBondContact O-N 3.27Å; I219-R223 WeakPolarHBondContact O-CB 3.48Å; I219-R223 WeakPolarHBondContact O-CG 3.29Å; I219-R223 PolarHBondContact O-N 2.97Å
220	S	49.3	Very low	48.6	Very low	50 Å²	50	91.4 Å²	91.4	35%	0.35	44%	0.442	S	S	.	.	H	α-helix	trans	-68.6	-37.9	177.9	87.1	0	0	0	0	112.9	K216 A217 S218 R224	K216-S220 WeakPolarHBondContact O-CB 3.28Å; K216-S220 PolarHBondContact O-N 3.33Å; A217-S220 CarbonylContact O-C 3.59Å; A217-S220 PolarHBondContact O-N 2.99Å; A217-S220 VanDerWaalsContact O-N 3.14Å; A217-S220 PolarHBondContact O-OG 2.78Å; S218-S220 VanDerWaalsContact C-N 3.3Å; S218-S220 PolarHBondContact O-N 3.03Å; S220-R224 WeakPolarHBondContact O-CG 3.26Å; S220-R224 PolarHBondContact O-N 3.47Å
221	E	48.5	Very low	48.5	Very low	117 Å²	117	94.9 Å²	94.9	55%	0.547	47%	0.472	S	S	.	.	H	α-helix	trans	-70.3	-48.2	176.7	-79.9	-179.4	170.2	0	0	110.5	A217 S218 R223 R224 D225	A217-E221 WeakPolarHBondContact O-CB 3.44Å; A217-E221 PolarHBondContact O-N 3.16Å; S218-E221 PolarHBondContact O-N 3.1Å; E221-R223 VanDerWaalsContact C-N 3.25Å; E221-R223 PolarHBondContact O-N 3.35Å; E221-R224 WeakPolarHBondContact O-CB 3.43Å; E221-R224 PolarHBondContact O-N 3.37Å; E221-D225 WeakPolarHBondContact O-CB 3.18Å; E221-D225 PolarHBondContact O-N 3.14Å
222	S	53.7	Low	48.6	Very low	66 Å²	66	97.2 Å²	97.2	46%	0.462	49%	0.487	S	S	.	.	H	α-helix	trans	-56.8	-38.4	173.3	-63.3	0	0	0	0	112.1	S218 A226	S218-S222 WeakPolarHBondContact O-CB 3.41Å; S218-S222 PolarHBondContact O-N 2.93Å; S218-S222 PolarHBondContact O-OG 2.94Å; S218-S222 VanDerWaalsContact O-OG 3.07Å; S222-A226 WeakPolarHBondContact O-CB 3.33Å; S222-A226 PolarHBondContact O-N 3.34Å
223	R	56.2	Low	48.2	Very low	148 Å²	148	99.5 Å²	99.5	56%	0.558	50%	0.503	S	S	*	.	H	α-helix	trans	-68.9	-38.7	173.7	-79.8	-179	169.3	-173.3	-2.2	113.1	I219 E221 R227	I219-R223 WeakPolarHBondContact O-CB 3.48Å; I219-R223 WeakPolarHBondContact O-CG 3.29Å; I219-R223 PolarHBondContact O-N 2.97Å; E221-R223 VanDerWaalsContact C-N 3.25Å; E221-R223 PolarHBondContact O-N 3.35Å; R223-R227 WeakPolarHBondContact O-CB 3.24Å; R223-R227 VanDerWaalsContact O-CG 3.31Å; R223-R227 WeakPolarHBondContact O-CG 3.43Å; R223-R227 PolarHBondContact O-N 3.43Å
224	R	56.4	Low	47.7	Very low	158 Å²	158	103.2 Å²	103.2	60%	0.596	52%	0.524	S	S	*	.	H	α-helix	trans	-65.9	-42.3	175.2	-82.3	178.6	178.9	162.4	-0.1	111.4	S220 E221 R227 R228	S220-R224 WeakPolarHBondContact O-CG 3.26Å; S220-R224 PolarHBondContact O-N 3.47Å; E221-R224 WeakPolarHBondContact O-CB 3.43Å; E221-R224 PolarHBondContact O-N 3.37Å; R224-R227 PolarHBondContact O-N 2.94Å; R224-R228 WeakPolarHBondContact O-CG 3.14Å; R224-R228 PolarHBondContact O-N 3.34Å
225	D	52.3	Low	47.2	Very low	63 Å²	63	107.4 Å²	107.4	34%	0.337	55%	0.552	S	S	.	*	H	α-helix	trans	-70.4	-40.6	178.9	-70.4	-17.2	0	0	0	110.9	E221 R227 R228 L229	E221-D225 WeakPolarHBondContact O-CB 3.18Å; E221-D225 PolarHBondContact O-N 3.14Å; D225-R227 VanDerWaalsContact C-N 3.31Å; D225-R227 PolarHBondContact O-N 3.48Å; D225-R228 PolarHBondContact O-N 2.94Å; D225-R228 VanDerWaalsContact O-N 3.16Å; D225-R228 IonicContact OD1-NH1 3.38Å; D225-R228 PolarHBondContact OD1-NH1 2.57Å; D225-R228 VanDerWaalsContact OD1-NH1 3.12Å; D225-L229 WeakPolarHBondContact O-CG 3.47Å; D225-L229 PolarHBondContact O-N 3.12Å
226	A	56	Low	46.6	Very low	47 Å²	47	105.6 Å²	105.6	39%	0.388	57%	0.565	S	S	.	*	H	α-helix	trans	-58.3	-41.6	170.4	0	0	0	0	0	112.1	S222 L229 L230	S222-A226 WeakPolarHBondContact O-CB 3.33Å; S222-A226 PolarHBondContact O-N 3.34Å; A226-L229 PolarHBondContact O-N 3.07Å; A226-L230 WeakPolarHBondContact O-CB 3.19Å; A226-L230 WeakPolarHBondContact O-CG 3.3Å; A226-L230 PolarHBondContact O-N 2.87Å
227	R	52.1	Low	45.8	Very low	163 Å²	163	104.6 Å²	104.6	62%	0.615	58%	0.575	S	S	*	*	H	α-helix	trans	-65.9	-39.2	174.7	-76.8	175.5	-179.3	165.1	-0.6	112.7	R223 R224 D225 L230 A231	R223-R227 WeakPolarHBondContact O-CB 3.24Å; R223-R227 VanDerWaalsContact O-CG 3.31Å; R223-R227 WeakPolarHBondContact O-CG 3.43Å; R223-R227 PolarHBondContact O-N 3.43Å; R224-R227 PolarHBondContact O-N 2.94Å; D225-R227 VanDerWaalsContact C-N 3.31Å; D225-R227 PolarHBondContact O-N 3.48Å; R227-L230 PolarHBondContact O-N 3.16Å; R227-A231 WeakPolarHBondContact O-CB 3.46Å; R227-A231 PolarHBondContact O-N 3.17Å
228	R	50.1	Low	45.6	Very low	164 Å²	164	110.3 Å²	110.3	62%	0.619	60%	0.599	S	S	*	*	H	α-helix	trans	-63.4	-42.4	174.4	-77.6	175.4	175.1	149.2	-8.3	111.5	R224 D225 A231 L232	R224-R228 WeakPolarHBondContact O-CG 3.14Å; R224-R228 PolarHBondContact O-N 3.34Å; D225-R228 PolarHBondContact O-N 2.94Å; D225-R228 VanDerWaalsContact O-N 3.16Å; D225-R228 IonicContact OD1-NH1 3.38Å; D225-R228 PolarHBondContact OD1-NH1 2.57Å; D225-R228 VanDerWaalsContact OD1-NH1 3.12Å; R228-A231 PolarHBondContact O-N 3.39Å; R228-L232 WeakPolarHBondContact O-CG 3.35Å; R228-L232 PolarHBondContact O-N 2.87Å
229	L	44	Very low	44.9	Very low	105 Å²	105	114.6 Å²	114.6	55%	0.55	62%	0.618	S	S	.	*	H	α-helix	trans	-65.2	-41.7	176.6	-69.4	172.6	0	0	0	111.4	D225 A226 A231 L232 V233	D225-L229 WeakPolarHBondContact O-CG 3.47Å; D225-L229 PolarHBondContact O-N 3.12Å; A226-L229 PolarHBondContact O-N 3.07Å; L229-A231 PolarHBondContact O-N 3.48Å; L229-L232 PolarHBondContact O-N 2.89Å; L229-V233 WeakPolarHBondContact O-CG2 3.37Å; L229-V233 PolarHBondContact O-N 3.27Å
230	L	45.7	Very low	43.9	Very low	117 Å²	117	117.1 Å²	117.1	61%	0.613	63%	0.632	S	S	*	*	H	α-helix	trans	-64.9	-37.3	175	-74.7	168.8	0	0	0	112.7	A226 R227 L232 V233 Q234	A226-L230 WeakPolarHBondContact O-CB 3.19Å; A226-L230 WeakPolarHBondContact O-CG 3.3Å; A226-L230 PolarHBondContact O-N 2.87Å; R227-L230 PolarHBondContact O-N 3.16Å; L230-L232 VanDerWaalsContact C-N 3.27Å; L230-L232 PolarHBondContact O-N 3.49Å; L230-V233 PolarHBondContact O-N 3.07Å; L230-Q234 PolarHBondContact O-N 3.34Å
231	A	43.8	Very low	43.3	Very low	79 Å²	79	121.1 Å²	121.1	65%	0.653	66%	0.657	S	S	*	*	H	α-helix	trans	-66.5	-28	176.8	0	0	0	0	0	112.9	R227 R228 L229	R227-A231 WeakPolarHBondContact O-CB 3.46Å; R227-A231 PolarHBondContact O-N 3.17Å; R228-A231 PolarHBondContact O-N 3.39Å; L229-A231 PolarHBondContact O-N 3.48Å
232	L	43.3	Very low	42.4	Very low	145 Å²	145	119.1 Å²	119.1	76%	0.759	66%	0.656	S	S	*	*	H	α-helix	trans	-78.1	-21.4	174.9	-70.5	168.2	0	0	0	112.9	R228 L229 L230	R228-L232 WeakPolarHBondContact O-CG 3.35Å; R228-L232 PolarHBondContact O-N 2.87Å; L229-L232 PolarHBondContact O-N 2.89Å; L230-L232 VanDerWaalsContact C-N 3.27Å; L230-L232 PolarHBondContact O-N 3.49Å
233	V	38.8	Very low	41.3	Very low	109 Å²	109	123.7 Å²	123.7	66%	0.661	68%	0.675	S	S	*	*	H	α-helix	trans	-96.1	-16	-172.8	175.1	0	0	0	0	113.2	L229 L230 P235	L229-V233 WeakPolarHBondContact O-CG2 3.37Å; L229-V233 PolarHBondContact O-N 3.27Å; L230-V233 PolarHBondContact O-N 3.07Å; V233-P235 WeakPolarHBondContact O-CD 3.4Å
234	Q	30.8	Very low	40	Very low	167 Å²	167	123.7 Å²	123.7	78%	0.78	69%	0.686	S	S	*	*	S	Bend	trans	-78.1	110.4	176.6	-68.4	-155.5	-22.4	0	0	111.3	L230	L230-Q234 PolarHBondContact O-N 3.34Å
235	P	35.2	Very low	38.7	Very low	122 Å²	122	123.6 Å²	123.6	79%	0.792	70%	0.697	S	S	*	*			trans	-69.5	134.3	174.5	-7	26.3	0	0	0	108	V233 S237	V233-P235 WeakPolarHBondContact O-CD 3.4Å; P235-S237 PolarHBondContact O-N 3.3Å; P235-S237 VanDerWaalsContact O-N 3.1Å
236	G	31.5	Very low	37.4	Very low	82 Å²	82	130 Å²	130	85%	0.845	72%	0.722	S	S	*	*			trans	-48.7	114.5	-170.9	0	0	0	0	0	113.5	L238	G236-L238 PolarHBondContact O-N 2.92Å
237	S	30.6	Very low	36	Very low	112 Å²	112	136.8 Å²	136.8	78%	0.783	74%	0.743	S	S	*	*			trans	-80.2	106.4	156.1	-179.1	0	0	0	0	106.8	P235 D239	P235-S237 PolarHBondContact O-N 3.3Å; P235-S237 VanDerWaalsContact O-N 3.1Å; S237-D239 PolarHBondContact O-N 3.35Å
238	L	39.5	Very low	35	Very low	163 Å²	163	135.4 Å²	135.4	85%	0.853	75%	0.748	S	S	*	*			trans	-74	80.6	172.1	-166.1	88	0	0	0	107.2	G236	G236-L238 PolarHBondContact O-N 2.92Å
239	D	32.9	Very low	34.2	Very low	145 Å²	145	134.3 Å²	134.3	78%	0.775	75%	0.754	S	S	*	*	S	Bend	trans	-180	132.3	151.1	-85.2	-30.2	0	0	0	109.8	S237	S237-D239 PolarHBondContact O-N 3.35Å
240	N	30.4	Very low	33.8	Very low	137 Å²	137	136.7 Å²	136.7	73%	0.733	76%	0.762	S	S	*	*			trans	90.7	84	169.5	-118.3	0.6	0	0	0	119.2	S242	N240-S242 PolarHBondContact O-N 2.93Å; N240-S242 VanDerWaalsContact O-N 3.16Å
241	P	38.6	Very low	33.2	Very low	134 Å²	134	137 Å²	137	87%	0.87	76%	0.764	S	S	*	*			trans	-84.4	78.8	167.4	35.1	-29.6	0	0	0	110.3
242	S	28.4	Very low	32.4	Very low	76 Å²	76	142 Å²	142	53%	0.531	77%	0.771	S	S	.	*			trans	-159.1	58.8	161.6	64	0	0	0	0	113	N240 N244	N240-S242 PolarHBondContact O-N 2.93Å; N240-S242 VanDerWaalsContact O-N 3.16Å; S242-N244 PolarHBondContact O-N 2.97Å
243	N	30.8	Very low	31.7	Very low	161 Å²	161	140.5 Å²	140.5	86%	0.861	77%	0.768	S	S	*	*			trans	-75.6	83.6	165.7	-84.7	-22.4	0	0	0	110	L245	N243-L245 VanDerWaalsContact C-N 3.35Å; N243-L245 PolarHBondContact O-N 2.86Å
244	N	27.7	Very low	31.1	Very low	148 Å²	148	139.1 Å²	139.1	79%	0.791	77%	0.768	S	S	*	*			trans	-57.5	96.6	158.6	-77.5	-42.3	0	0	0	108.6	S242 K246	S242-N244 PolarHBondContact O-N 2.97Å; N244-K246 VanDerWaalsContact C-N 3.28Å; N244-K246 PolarHBondContact O-N 2.98Å
245	L	30.2	Very low	31	Very low	157 Å²	157	139.3 Å²	139.3	82%	0.822	77%	0.773	S	S	*	*			trans	-62.8	90.7	167.7	-85.6	153.2	0	0	0	108.8	N243 F247	N243-L245 VanDerWaalsContact C-N 3.35Å; N243-L245 PolarHBondContact O-N 2.86Å; L245-F247 PolarHBondContact O-N 2.85Å
246	K	25.6	Very low	30.7	Very low	197 Å²	197	140.5 Å²	140.5	86%	0.857	77%	0.772	S	S	*	*			trans	-68.5	116.8	165.9	-159.1	177.6	-177.8	-173.2	0	107	N244 D248	N244-K246 VanDerWaalsContact C-N 3.28Å; N244-K246 PolarHBondContact O-N 2.98Å; K246-D248 PolarHBondContact O-N 3.05Å
247	F	26.6	Very low	30.4	Very low	189 Å²	189	139.8 Å²	139.8	83%	0.829	77%	0.765	S	S	*	*			trans	-62.6	119.4	173.6	-83.2	-103.1	0	0	0	108.7	L245	L245-F247 PolarHBondContact O-N 2.85Å
248	D	30.2	Very low	30.5	Very low	135 Å²	135	141.9 Å²	141.9	72%	0.722	77%	0.768	S	S	*	*			trans	-99.4	104.7	171.5	-124.2	-29.5	0	0	0	108.6	K246 E250	K246-D248 PolarHBondContact O-N 3.05Å; D248-E250 PolarHBondContact O-N 2.77Å
249	D	34.4	Very low	30.1	Very low	140 Å²	140	143.8 Å²	143.8	75%	0.749	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-71.6	-6.3	-177.1	-84.9	-24.4	0	0	0	113.1	L251	D249-L251 PolarHBondContact O-N 3.08Å
250	E	34.6	Very low	30.1	Very low	156 Å²	156	141.9 Å²	141.9	73%	0.729	77%	0.77	S	S	*	*	G	3₁₀ helix	trans	-75.4	-3.6	177.8	-69.2	-167.9	167.6	0	0	114.1	D248 F252 T253	D248-E250 PolarHBondContact O-N 2.77Å; E250-F252 PolarHBondContact O-N 3.27Å; E250-F252 VanDerWaalsContact O-N 3.11Å; E250-T253 PolarHBondContact O-OG1 2.85Å
251	L	32.3	Very low	30.1	Very low	122 Å²	122	143 Å²	143	64%	0.639	78%	0.776	S	S	*	*	G	3₁₀ helix	trans	-72.8	0.8	176.8	-151.1	79.3	0	0	0	114.2	D249	D249-L251 PolarHBondContact O-N 3.08Å
252	F	27.6	Very low	29.6	Very low	185 Å²	185	141.9 Å²	141.9	81%	0.811	77%	0.772	S	S	*	*	G	3₁₀ helix	trans	-118.4	12.6	-178.5	-74.8	-79.9	0	0	0	115.1	E250	E250-F252 PolarHBondContact O-N 3.27Å; E250-F252 VanDerWaalsContact O-N 3.11Å
253	T	28.1	Very low	29.5	Very low	114 Å²	114	145.5 Å²	145.5	70%	0.699	79%	0.785	S	S	*	*	S	Bend	trans	-72.7	131.3	167.4	39.1	0	0	0	0	110.7	E250 I255	E250-T253 PolarHBondContact O-OG1 2.85Å; T253-I255 PolarHBondContact O-N 3.21Å
254	A	26	Very low	29.4	Very low	80 Å²	80	145.2 Å²	145.2	66%	0.661	78%	0.783	S	S	*	*			trans	-59.7	129.6	-170.6	0	0	0	0	0	112	D256	A254-D256 VanDerWaalsContact C-N 3.33Å; A254-D256 PolarHBondContact O-N 3.28Å
255	I	29.5	Very low	29.2	Very low	171 Å²	171	146.7 Å²	146.7	88%	0.877	79%	0.785	S	S	*	*			trans	-80	93.1	161	-60.1	175	0	0	0	105.4	T253	T253-I255 PolarHBondContact O-N 3.21Å
256	D	28.3	Very low	29.1	Very low	146 Å²	146	149.3 Å²	149.3	78%	0.781	79%	0.786	S	S	*	*			trans	-64.7	140.4	162.5	-77.6	-37.9	0	0	0	109	A254	A254-D256 VanDerWaalsContact C-N 3.33Å; A254-D256 PolarHBondContact O-N 3.28Å
257	G	26.7	Very low	29.1	Very low	67 Å²	67	145.4 Å²	145.4	69%	0.691	78%	0.783	S	S	*	*			trans	-75.7	144.5	-171.3	0	0	0	0	0	113.5
258	D	32	Very low	29.2	Very low	157 Å²	157	145 Å²	145	84%	0.84	78%	0.784	S	S	*	*			trans	-117.1	91.8	150.4	-80.3	-35.2	0	0	0	107	S260	D258-S260 PolarHBondContact O-N 3.31Å
259	E	31.3	Very low	28.9	Very low	202 Å²	202	147.9 Å²	147.9	94%	0.944	79%	0.79	S	S	*	*			trans	-69.2	99.8	158.2	-76.7	-173.7	166.9	0	0	107
260	S	33.4	Very low	28.5	Very low	105 Å²	105	147.2 Å²	147.2	73%	0.734	79%	0.791	S	S	*	*			trans	-114.4	110.1	161.7	43.2	0	0	0	0	109	D258	D258-S260 PolarHBondContact O-N 3.31Å
261	D	28.8	Very low	28.2	Very low	162 Å²	162	145.6 Å²	145.6	87%	0.866	79%	0.794	S	S	*	*			trans	-47.8	133.2	172.3	-74.3	-52.5	0	0	0	112.6
262	S	30	Very low	27.7	Very low	110 Å²	110	143.5 Å²	143.5	77%	0.769	80%	0.801	S	S	*	*			trans	-164.8	107.9	142.1	11.4	0	0	0	0	112.2
263	N	25.7	Very low	27.8	Very low	151 Å²	151	139.7 Å²	139.7	81%	0.807	80%	0.798	S	S	*	*			trans	40.9	94	135.9	-103.6	-4.9	0	0	0	117.6
264	N	28.7	Very low	27.6	Very low	155 Å²	155	142.7 Å²	142.7	83%	0.829	81%	0.809	S	S	*	*			trans	-124.2	85.4	155.1	-95.3	-28.1	0	0	0	110.3	Y266	N264-Y266 PolarHBondContact O-N 3.32Å
265	Q	23.3	Very low	27.8	Very low	179 Å²	179	145.7 Å²	145.7	84%	0.836	81%	0.812	S	S	*	*			trans	-73.8	100.3	153.7	-76.9	-179.7	3.7	0	0	107.6
266	Y	28.2	Very low	27.5	Very low	213 Å²	213	143.9 Å²	143.9	84%	0.835	80%	0.804	S	S	*	*			trans	-133.1	114	158.4	-106.7	-88	0	0	0	110.3	N264 Q268	N264-Y266 PolarHBondContact O-N 3.32Å; Y266-Q268 PolarHBondContact O-N 2.89Å
267	S	24.9	Very low	27.5	Very low	114 Å²	114	141.8 Å²	141.8	80%	0.797	80%	0.801	S	S	*	*			trans	-63.2	117.7	-177.4	-169.8	0	0	0	0	111.1	K269	S267-K269 PolarHBondContact O-N 3.12Å
268	Q	29.1	Very low	27.4	Very low	181 Å²	181	147 Å²	147	85%	0.846	81%	0.808	S	S	*	*			trans	-73.7	108.6	171.4	-78.3	-179.8	-30	0	0	110.1	Y266 V270	Y266-Q268 PolarHBondContact O-N 2.89Å; Q268-V270 PolarHBondContact O-N 2.88Å
269	K	25	Very low	27.1	Very low	196 Å²	196	148 Å²	148	85%	0.852	81%	0.807	S	S	*	*			trans	-78.8	111.5	161	-76.1	-179.9	177.1	177.7	0	108.3	S267 P271	S267-K269 PolarHBondContact O-N 3.12Å; K269-P271 WeakPolarHBondContact O-CD 3.36Å
270	V	24.5	Very low	26.8	Very low	126 Å²	126	144 Å²	144	76%	0.764	80%	0.799	S	S	*	*			trans	-81.7	118.1	174.2	-178.9	0	0	0	0	108.9	Q268	Q268-V270 PolarHBondContact O-N 2.88Å
271	P	27.9	Very low	26.4	Very low	121 Å²	121	144.4 Å²	144.4	79%	0.786	80%	0.802	S	S	*	*			trans	-85.2	115.9	164.9	-0.4	20.4	0	0	0	108.2	K269	K269-P271 WeakPolarHBondContact O-CD 3.36Å
272	G	23.4	Very low	26.2	Very low	78 Å²	78	143.1 Å²	143.1	80%	0.804	79%	0.793	S	S	*	*			trans	-72.2	126.6	172	0	0	0	0	0	111.1
273	S	28.1	Very low	26	Very low	105 Å²	105	144.9 Å²	144.9	73%	0.734	79%	0.789	S	S	*	*			trans	-128.8	106.6	155.2	68.7	0	0	0	0	108.5	I275	S273-I275 PolarHBondContact O-N 3.29Å
274	L	24.6	Very low	26.1	Very low	178 Å²	178	142.5 Å²	142.5	93%	0.932	77%	0.774	S	S	*	*			trans	-60.6	113.1	165.4	-75.7	148.3	0	0	0	108.6
275	I	30.4	Very low	26	Very low	143 Å²	143	141.2 Å²	141.2	73%	0.733	76%	0.761	S	S	*	*			trans	-128.5	102.8	155.8	-60.2	-180	0	0	0	106	S273 S277	S273-I275 PolarHBondContact O-N 3.29Å; I275-S277 PolarHBondContact O-N 2.95Å
276	D	24.1	Very low	26.3	Very low	133 Å²	133	136.6 Å²	136.6	71%	0.711	74%	0.742	S	S	*	*			trans	-74.9	99.8	172.2	-166	9.9	0	0	0	107.5
277	S	28.4	Very low	26.7	Very low	102 Å²	102	127.4 Å²	127.4	71%	0.713	71%	0.709	S	S	*	*			trans	-123.1	89.5	169.1	-77.9	0	0	0	0	108	I275 Q279	I275-S277 PolarHBondContact O-N 2.95Å; S277-Q279 PolarHBondContact O-N 3.38Å
278	Q	23.1	Very low	27	Very low	177 Å²	177	123 Å²	123	83%	0.827	68%	0.676	S	S	*	*			trans	-68.2	106.5	165.8	-64.5	-179.3	0	0	0	108.6
279	Q	25.5	Very low	27	Very low	178 Å²	178	116.7 Å²	116.7	83%	0.832	64%	0.644	S	S	*	*			trans	-136.3	125.9	162.2	-134.3	173.3	-1.4	0	0	108	S277 S281	S277-Q279 PolarHBondContact O-N 3.38Å; Q279-S281 PolarHBondContact O-N 3.1Å
280	P	26.2	Very low	27.2	Very low	117 Å²	117	113.9 Å²	113.9	76%	0.76	63%	0.628	S	S	*	*			trans	-71.1	128.4	-166.9	27.6	-32.3	0	0	0	110.5	I282	P280-I282 PolarHBondContact O-N 3.43Å
281	S	24	Very low	27.4	Very low	114 Å²	114	110.6 Å²	110.6	80%	0.797	61%	0.606	S	S	*	*			trans	-68.5	109.6	-179.2	50.5	0	0	0	0	111	Q279 H283	Q279-S281 PolarHBondContact O-N 3.1Å; S281-H283 PolarHBondContact O-N 3.1Å; S281-H283 VanDerWaalsContact O-N 3.15Å
282	I	25.1	Very low	27.6	Very low	134 Å²	134	112.5 Å²	112.5	69%	0.687	61%	0.609	S	S	*	*			trans	-73.9	100.8	173.2	-60.9	169.6	0	0	0	107.5	P280 M284	P280-I282 PolarHBondContact O-N 3.43Å; I282-M284 HydrophobicContact CG2-CG 4.33Å; I282-M284 PolarHBondContact O-N 3.44Å
283	H	25.3	Very low	27.8	Very low	148 Å²	148	113.1 Å²	113.1	69%	0.685	60%	0.599	S	S	*	*			trans	-88.7	85.6	-176.8	-147	-30.4	0	0	0	109.7	S281 K285	S281-H283 PolarHBondContact O-N 3.1Å; S281-H283 VanDerWaalsContact O-N 3.15Å; H283-K285 PolarHBondContact O-N 2.93Å
284	M	27.5	Very low	27.7	Very low	100 Å²	100	116.8 Å²	116.8	49%	0.493	60%	0.602	S	S	.	*			trans	-66.4	117.4	173.7	-68.6	-118.7	89.4	0	0	110.2	I282	I282-M284 HydrophobicContact CG2-CG 4.33Å; I282-M284 PolarHBondContact O-N 3.44Å
285	K	28.1	Very low	27.7	Very low	129 Å²	129	118.7 Å²	118.7	56%	0.561	60%	0.597	S	S	*	*			trans	-113.6	93	177.7	-72.1	-178.4	179.5	178.1	0	110.3	H283	H283-K285 PolarHBondContact O-N 2.93Å
286	N	29.9	Very low	27.4	Very low	81 Å²	81	118.9 Å²	118.9	43%	0.433	60%	0.599	S	S	.	*			trans	-114.3	115.6	160.6	-72.6	-11.1	0	0	0	106.4
287	S	34.7	Very low	27.4	Very low	20 Å²	20	120.8 Å²	120.8	14%	0.14	60%	0.603	C	S	.	*			trans	-132.7	111.4	-170.3	-51.8	0	0	0	0	111.9	A574 R838	S287-A574 VanDerWaalsContact CA-CB 3.46Å; S287-R838 WeakPolarHBondContact O-CD 3.23Å; S287-R838 PolarHBondContact O-NH1 3.44Å
288	E	31.2	Very low	27.1	Very low	21 Å²	21	123.2 Å²	123.2	10%	0.098	61%	0.608	C	S	.	*			trans	-73.9	147	175.8	-65.6	174.4	-145.1	0	0	110.9	R290 Q578	E288-R290 IonicContact OE2-NE 3.23Å; E288-R290 IonicContact OE2-NH2 3.41Å; E288-R290 PolarHBondContact OE2-NH2 3.26Å; E288-Q578 PolarHBondContact OE1-NE2 3.16Å
289	R	30	Very low	27.1	Very low	49 Å²	49	120.6 Å²	120.6	19%	0.185	61%	0.609	C	S	.	*			trans	-139	68.7	-179.7	-163	-175.2	-155.8	-159.7	10.2	110.9	D291 D570 E812	R289-D291 PolarHBondContact O-N 2.91Å; R289-D291 VanDerWaalsContact O-N 3.08Å; R289-D570 IonicContact CZ-OD1 2.93Å; R289-D570 IonicContact CZ-OD2 3.55Å; R289-D570 IonicContact NE-OD1 2.87Å; R289-D570 PolarHBondContact NE-OD1 3.25Å; R289-D570 IonicContact NE-OD2 2.82Å; R289-D570 PolarHBondContact NE-OD2 2.98Å; R289-D570 IonicContact NH2-OD1 2.93Å; R289-D570 IonicContact NH2-OD2 3.37Å; R289-D570 PolarHBondContact NH2-OD2 3.32Å; R289-E812 VanDerWaalsContact CA-OE2 3.29Å; R289-E812 WeakPolarHBondContact CA-OE2 3.38Å; R289-E812 HydrophobicContact CB-CG 4.49Å; R289-E812 PolarHBondContact N-OE2 3.37Å; R289-E812 VanDerWaalsContact O-OE2 3.14Å
290	R	29.5	Very low	27.1	Very low	138 Å²	138	115.6 Å²	115.6	52%	0.521	61%	0.606	S	S	.	*			trans	-66.4	109.3	177.2	-67.7	-177.1	-167.6	171.2	9.8	110.9	E288 K573 E812	E288-R290 IonicContact OE2-NE 3.23Å; E288-R290 IonicContact OE2-NH2 3.41Å; E288-R290 PolarHBondContact OE2-NH2 3.26Å; R290-K573 PolarHBondContact O-NZ 3.05Å; R290-E812 WeakPolarHBondContact CA-OE1 3.29Å; R290-E812 PolarHBondContact N-OE2 2.87Å
291	D	28.9	Very low	27	Very low	56 Å²	56	116.1 Å²	116.1	30%	0.299	61%	0.612	S	S	.	*			trans	-138.9	135	159.2	-77.2	-42.8	0	0	0	110.5	R289 M528 K814	R289-D291 PolarHBondContact O-N 2.91Å; R289-D291 VanDerWaalsContact O-N 3.08Å; D291-M528 VanDerWaalsContact OD1-CE 3.24Å; D291-M528 WeakPolarHBondContact OD1-CE 3.29Å; D291-K814 IonicContact OD2-NZ 3.88Å; D291-K814 PolarHBondContact OD2-NZ 2.89Å
292	L	31.7	Very low	27.1	Very low	162 Å²	162	115.6 Å²	115.6	85%	0.848	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-62.9	149.7	-165	-70.5	158	0	0	0	115
293	P	28.7	Very low	27.2	Very low	90 Å²	90	114.3 Å²	114.3	58%	0.584	61%	0.611	S	S	*	*	P	Polyproline II helix	trans	-90.3	136.6	-161.8	35.2	-33.7	0	0	0	114
294	F	25.6	Very low	27.2	Very low	182 Å²	182	116.6 Å²	116.6	80%	0.798	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-76.2	119.6	169.3	-67	-89.6	0	0	0	109.9
295	R	24.6	Very low	27.2	Very low	219 Å²	219	122.9 Å²	122.9	83%	0.826	64%	0.638	S	S	*	*			trans	-131.7	114.9	165.6	-162.6	178.5	-164.2	-164.6	4.4	110	Q297	R295-Q297 PolarHBondContact O-N 3.48Å
296	L	23.1	Very low	27	Very low	147 Å²	147	122.2 Å²	122.2	77%	0.77	65%	0.65	S	S	*	*			trans	-61.5	126.5	170.9	-90.8	82.2	0	0	0	110.3
297	Q	25	Very low	26.8	Very low	172 Å²	172	130.2 Å²	130.2	80%	0.804	67%	0.674	S	S	*	*			trans	-133.5	137.7	152.4	-72.7	-167.8	2	0	0	109.6	R295	R295-Q297 PolarHBondContact O-N 3.48Å
298	N	21.5	Very low	26.4	Very low	154 Å²	154	136.5 Å²	136.5	82%	0.824	71%	0.706	S	S	*	*			trans	-85.4	152.7	-169	-124.4	5	0	0	0	111.6
299	S	23.4	Very low	26.2	Very low	121 Å²	121	138.6 Å²	138.6	85%	0.846	73%	0.733	S	S	*	*			trans	70.8	131.8	152.3	65.6	0	0	0	0	120.5
300	G	25.7	Very low	26	Very low	74 Å²	74	144.2 Å²	144.2	76%	0.763	77%	0.767	S	S	*	*			trans	150.6	56.2	167.5	0	0	0	0	0	113.3	S302	G300-S302 PolarHBondContact O-N 3.21Å
301	S	23.9	Very low	26	Very low	127 Å²	127	143.4 Å²	143.4	89%	0.888	78%	0.782	S	S	*	*			trans	-65.5	116.4	174.8	59.4	0	0	0	0	111
302	S	27	Very low	26	Very low	103 Å²	103	148.5 Å²	148.5	72%	0.72	81%	0.809	S	S	*	*			trans	-114.8	106.3	159.8	57.7	0	0	0	0	109.2	G300	G300-S302 PolarHBondContact O-N 3.21Å
303	S	25.2	Very low	25.6	Very low	107 Å²	107	150.6 Å²	150.6	75%	0.748	81%	0.811	S	S	*	*			trans	-73.5	118.5	174.4	177.3	0	0	0	0	109.4
304	F	27.1	Very low	25.5	Very low	196 Å²	196	153 Å²	153	86%	0.86	82%	0.824	S	S	*	*			trans	-137.2	94.7	161.8	-81.7	-74.8	0	0	0	111.3
305	R	26.5	Very low	25.7	Very low	232 Å²	232	149.6 Å²	149.6	88%	0.875	82%	0.823	S	S	*	*			trans	16.4	114.2	150.1	-71.2	179.4	169.1	-174.9	-4.4	118.6	R307	R305-R307 PolarHBondContact O-N 3Å
306	S	24.7	Very low	25.6	Very low	116 Å²	116	144.8 Å²	144.8	81%	0.811	82%	0.823	S	S	*	*			trans	-45.6	126.8	153.8	-63.7	0	0	0	0	112.2
307	R	25.9	Very low	26	Very low	249 Å²	249	145.1 Å²	145.1	94%	0.94	82%	0.824	S	S	*	*			trans	-106.6	105.7	158.2	-152.7	172.9	-170.7	176.6	1.2	107.3	R305	R305-R307 PolarHBondContact O-N 3Å
308	N	26.2	Very low	26	Very low	151 Å²	151	145.9 Å²	145.9	81%	0.807	83%	0.825	S	S	*	*			trans	-63.3	137.9	174.7	-78.6	-18.3	0	0	0	110.8
309	G	25.1	Very low	26.2	Very low	66 Å²	66	149.7 Å²	149.7	68%	0.68	83%	0.827	S	S	*	*			trans	60.4	114	131.8	0	0	0	0	0	118.1
310	D	27.4	Very low	26.2	Very low	167 Å²	167	149.1 Å²	149.1	89%	0.893	82%	0.819	S	S	*	*			trans	-142.7	120.5	131.7	-102	-31.8	0	0	0	110.9	L312	D310-L312 PolarHBondContact O-N 3.41Å
311	S	28.1	Very low	26.5	Very low	120 Å²	120	154.5 Å²	154.5	84%	0.839	82%	0.824	S	S	*	*			trans	-76.4	110.6	-179.9	-69.3	0	0	0	0	110.1
312	L	30	Very low	26.5	Very low	164 Å²	164	153.5 Å²	153.5	86%	0.859	82%	0.817	S	S	*	*			trans	-100.5	98.2	166.6	-78.7	162.2	0	0	0	110.1	D310 T314	D310-L312 PolarHBondContact O-N 3.41Å; L312-T314 PolarHBondContact O-N 3.23Å
313	K	22.6	Very low	26.5	Very low	206 Å²	206	153.8 Å²	153.8	90%	0.896	82%	0.819	S	S	*	*			trans	-50.7	125.4	157.1	-83	171.2	168	172	0	109.3
314	T	27.9	Very low	26.6	Very low	140 Å²	140	153.3 Å²	153.3	86%	0.859	82%	0.816	S	S	*	*			trans	-133.5	141.5	150.7	65.4	0	0	0	0	109.7	L312	L312-T314 PolarHBondContact O-N 3.23Å
315	S	28.1	Very low	26.5	Very low	110 Å²	110	151 Å²	151	77%	0.769	81%	0.812	S	S	*	*			trans	-90.6	146.3	-151.6	43.5	0	0	0	0	113.9
316	S	24	Very low	26.5	Very low	119 Å²	119	146.8 Å²	146.8	83%	0.832	81%	0.813	S	S	*	*			trans	-35.6	125.5	163.3	-54.3	0	0	0	0	114.8
317	I	31.8	Very low	26.9	Very low	153 Å²	153	145 Å²	145	79%	0.785	81%	0.812	S	S	*	*			trans	-117.5	101.1	155.9	-64.7	176.9	0	0	0	107.3
318	K	23.3	Very low	26.9	Very low	189 Å²	189	141.8 Å²	141.8	82%	0.822	81%	0.808	S	S	*	*			trans	-71.5	125.7	164.4	-83.2	176.6	171.1	178.1	0	108.3
319	R	27.3	Very low	26.8	Very low	233 Å²	233	145.6 Å²	145.6	88%	0.879	81%	0.811	S	S	*	*			trans	-121.7	106.3	154.5	-85.5	-174.5	-176.6	171.6	1.6	108.5
320	T	22.5	Very low	27.2	Very low	110 Å²	110	148 Å²	148	68%	0.675	82%	0.817	S	S	*	*			trans	-96.6	121	169.9	44.8	0	0	0	0	108.1
321	H	32.2	Very low	27.2	Very low	187 Å²	187	149.5 Å²	149.5	87%	0.866	82%	0.816	S	S	*	*			trans	-144.6	99.3	152.3	-81	-65.6	0	0	0	108.9
322	S	24.4	Very low	27.4	Very low	105 Å²	105	151.2 Å²	151.2	73%	0.734	82%	0.816	S	S	*	*			trans	-54.6	142.3	152.4	48.2	0	0	0	0	110.2
323	S	25.2	Very low	27.4	Very low	109 Å²	109	153.2 Å²	153.2	76%	0.762	82%	0.821	S	S	*	*				132.4	147.2	89.2	40.4	0	0	0	0	104.7
324	S	28	Very low	27.8	Very low	98 Å²	98	148.1 Å²	148.1	69%	0.685	81%	0.811	S	S	*	*			cis	-178.1	150.2	16.9	38	0	0	0	0	108.1
325	N	25.4	Very low	27.9	Very low	146 Å²	146	146.9 Å²	146.9	78%	0.781	81%	0.808	S	S	*	*			trans	36.5	128.5	142.9	-60	-10	0	0	0	119.9
326	T	27.2	Very low	28	Very low	145 Å²	145	146.6 Å²	146.6	89%	0.89	81%	0.812	S	S	*	*				172.9	149.8	73.5	33.1	0	0	0	0	107.5
327	G	32.7	Very low	28.5	Very low	78 Å²	78	146.1 Å²	146.1	80%	0.804	81%	0.809	S	S	*	*			trans	167.2	97	170.6	0	0	0	0	0	112.7
328	E	25.9	Very low	28.6	Very low	182 Å²	182	147.6 Å²	147.6	85%	0.85	81%	0.809	S	S	*	*			trans	-73.2	160.5	-171.2	-55.1	176.5	121.2	0	0	114.7
329	R	24.2	Very low	29.2	Very low	231 Å²	231	144 Å²	144	87%	0.872	81%	0.806	S	S	*	*			trans	78.2	104.6	138.3	-162.5	168.5	-171.5	156.8	-1.2	118.4
330	S	32.2	Very low	30	Very low	116 Å²	116	141.6 Å²	141.6	81%	0.811	80%	0.797	S	S	*	*				-165.4	133.6	112.9	-138.2	0	0	0	0	112.5	N332	S330-N332 PolarHBondContact O-N 2.98Å
331	K	28.6	Very low	31.1	Very low	199 Å²	199	141.2 Å²	141.2	87%	0.865	78%	0.783	S	S	*	*			trans	-69.2	121.3	175.1	-70.4	172.9	174.4	177.6	0	108.8
332	N	31.7	Very low	32.3	Very low	156 Å²	156	139 Å²	139	83%	0.834	77%	0.773	S	S	*	*			trans	-136.8	111.8	155.2	-95.8	-13.6	0	0	0	108.8	S330 S334	S330-N332 PolarHBondContact O-N 2.98Å; N332-S334 PolarHBondContact O-N 3.47Å; N332-S334 VanDerWaalsContact O-N 3.09Å
333	Q	29.5	Very low	34.4	Very low	206 Å²	206	137.4 Å²	137.4	96%	0.963	76%	0.758	S	S	*	*			trans	-65.8	103.4	170.9	-65	174.7	13.3	0	0	107.3
334	S	31.1	Very low	36.6	Very low	99 Å²	99	137.5 Å²	137.5	69%	0.692	75%	0.747	S	S	*	*			trans	-129.3	130	163.1	57.3	0	0	0	0	107.1	N332 A336	N332-S334 PolarHBondContact O-N 3.47Å; N332-S334 VanDerWaalsContact O-N 3.09Å; S334-A336 PolarHBondContact O-N 2.86Å
335	S	31.3	Very low	38.9	Very low	113 Å²	113	136.2 Å²	136.2	79%	0.79	73%	0.73	S	S	*	*			trans	-19.5	119.7	176.3	50.3	0	0	0	0	113.8	S337	S335-S337 VanDerWaalsContact C-N 3.34Å; S335-S337 PolarHBondContact O-N 2.93Å
336	A	30.3	Very low	41.4	Very low	105 Å²	105	129.4 Å²	129.4	87%	0.868	69%	0.694	S	S	*	*			trans	-54.2	93.5	177.6	0	0	0	0	0	110.9	S334 K338	S334-A336 PolarHBondContact O-N 2.86Å; A336-K338 PolarHBondContact O-N 2.81Å
337	S	33.1	Very low	43.9	Very low	108 Å²	108	123.6 Å²	123.6	76%	0.755	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-65.7	122.9	162.5	52.5	0	0	0	0	106.4	S335	S335-S337 VanDerWaalsContact C-N 3.34Å; S335-S337 PolarHBondContact O-N 2.93Å
338	K	35.2	Very low	46.2	Very low	184 Å²	184	124 Å²	124	80%	0.8	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-49.3	129.8	176.3	-71	175.6	178.3	175.3	0	108.1	A336 R340	A336-K338 PolarHBondContact O-N 2.81Å; K338-R340 PolarHBondContact O-N 3.37Å
339	P	34.6	Very low	48.9	Very low	114 Å²	114	115.8 Å²	115.8	74%	0.74	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-56.8	118.9	-173	20.7	-31.1	0	0	0	109.5	R341 R449	P339-R341 PolarHBondContact O-N 3.5Å; P339-R449 PolarHBondContact O-NH2 2.91Å
340	R	44.1	Very low	51.6	Low	183 Å²	183	104.8 Å²	104.8	69%	0.691	56%	0.56	S	S	*	*			trans	-65.3	99.4	174.9	-173.3	178.1	-176.8	175.8	2.6	107.1	K338 Q342	K338-R340 PolarHBondContact O-N 3.37Å; R340-Q342 PolarHBondContact O-N 3.07Å
341	R	46.7	Very low	53.9	Low	102 Å²	102	102.8 Å²	102.8	39%	0.385	54%	0.54	S	S	.	.			trans	-55.5	131.7	164.3	-81.7	-174.5	159.7	-166.5	-0.3	107.2	P339 E345	P339-R341 PolarHBondContact O-N 3.5Å; R341-E345 HydrophobicContact CB-CB 4.45Å; R341-E345 WeakPolarHBondContact CD-OE2 3.42Å; R341-E345 WeakPolarHBondContact CG-OE2 3.35Å; R341-E345 IonicContact CZ-OE2 2.86Å; R341-E345 IonicContact NE-OE2 3.82Å; R341-E345 PolarHBondContact NE-OE2 3.33Å; R341-E345 IonicContact NH1-OE2 3.45Å
342	Q	57.2	Low	56.4	Low	140 Å²	140	97.4 Å²	97.4	65%	0.654	52%	0.518	S	S	*	.			trans	-66	149.6	-173.8	-69.2	174.1	6.7	0	0	109.7	R340 Q344 E345	R340-Q342 PolarHBondContact O-N 3.07Å; Q342-Q344 PolarHBondContact O-N 3.17Å; Q342-E345 PolarHBondContact O-N 3.35Å
343	T	67.2	Low	58.6	Low	71 Å²	71	90 Å²	90	44%	0.436	48%	0.479	S	S	.	.	H	α-helix	trans	-43.2	-30.2	174.3	41	0	0	0	0	113.5	Q347 E445	T343-Q347 WeakPolarHBondContact O-CB 3.38Å; T343-Q347 PolarHBondContact O-N 3.09Å; T343-Q347 VanDerWaalsContact O-N 3.12Å; T343-E445 WeakPolarHBondContact CG2-OE1 3.35Å
344	Q	72.9	Confident	60.8	Low	112 Å²	112	80.2 Å²	80.2	52%	0.523	43%	0.433	S	S	.	.	H	α-helix	trans	-64.1	-36.2	177.5	-169.2	59.6	48.3	0	0	113.9	Q342 Q347 N348	Q342-Q344 PolarHBondContact O-N 3.17Å; Q344-Q347 PolarHBondContact O-N 3.41Å; Q344-N348 PolarHBondContact NE2-OD1 3.32Å; Q344-N348 PolarHBondContact O-N 3.35Å; Q344-N348 PolarHBondContact O-ND2 3.39Å; Q344-N348 PolarHBondContact O-OD1 3.05Å
345	E	76.3	Confident	62.5	Low	71 Å²	71	76.3 Å²	76.3	33%	0.332	41%	0.409	S	S	.	.	H	α-helix	trans	-69.6	-46.3	-179.5	-68	179.5	-134.7	0	0	110.9	R341 Q342 Q347 N348 F349	R341-E345 HydrophobicContact CB-CB 4.45Å; R341-E345 WeakPolarHBondContact CD-OE2 3.42Å; R341-E345 WeakPolarHBondContact CG-OE2 3.35Å; R341-E345 IonicContact CZ-OE2 2.86Å; R341-E345 IonicContact NE-OE2 3.82Å; R341-E345 PolarHBondContact NE-OE2 3.33Å; R341-E345 IonicContact NH1-OE2 3.45Å; Q342-E345 PolarHBondContact O-N 3.35Å; E345-Q347 PolarHBondContact O-N 2.91Å; E345-N348 WeakPolarHBondContact O-CB 3.41Å; E345-N348 PolarHBondContact O-N 2.95Å; E345-F349 PolarHBondContact O-N 2.85Å; E345-F349 VanDerWaalsContact O-N 3.15Å
346	V	78.3	Confident	63.8	Low	2 Å²	2	77.6 Å²	77.6	1%	0.012	41%	0.412	C	S	.	.	H	α-helix	trans	-57.4	-41.1	173.8	-179.6	0	0	0	0	110	N348 F349 V350 Y400 L448 R449	V346-N348 VanDerWaalsContact C-N 3.31Å; V346-N348 PolarHBondContact O-N 3.15Å; V346-F349 PolarHBondContact O-N 3.44Å; V346-V350 HydrophobicContact CG1-CG2 4.34Å; V346-V350 WeakPolarHBondContact O-CB 3.43Å; V346-V350 WeakPolarHBondContact O-CG2 3.32Å; V346-V350 PolarHBondContact O-N 3.39Å; V346-Y400 HydrophobicContact CG1-CE1 4.08Å; V346-L448 HydrophobicContact CG1-CD2 3.83Å; V346-L448 HydrophobicContact CG1-CG 4.31Å; V346-R449 HydrophobicContact CG2-CB 4.26Å
347	Q	78	Confident	65.2	Low	24 Å²	24	74.9 Å²	74.9	11%	0.112	40%	0.395	C	S	.	.	H	α-helix	trans	-64.6	-33.1	177.8	-163.7	62.1	47.2	0	0	113.2	T343 Q344 E345 N351	T343-Q347 WeakPolarHBondContact O-CB 3.38Å; T343-Q347 PolarHBondContact O-N 3.09Å; T343-Q347 VanDerWaalsContact O-N 3.12Å; Q344-Q347 PolarHBondContact O-N 3.41Å; E345-Q347 PolarHBondContact O-N 2.91Å; Q347-N351 PolarHBondContact O-N 3.27Å; Q347-N351 VanDerWaalsContact O-N 3.07Å; Q347-N351 PolarHBondContact O-ND2 3Å; Q347-N351 VanDerWaalsContact O-ND2 3.16Å
348	N	81.7	Confident	66.5	Low	87 Å²	87	75.4 Å²	75.4	47%	0.465	40%	0.396	S	S	.	.	H	α-helix	trans	-67.3	-47.4	176.3	-65.2	-17	0	0	0	110.8	Q344 E345 V346 V350 N351 E352	Q344-N348 PolarHBondContact NE2-OD1 3.32Å; Q344-N348 PolarHBondContact O-N 3.35Å; Q344-N348 PolarHBondContact O-ND2 3.39Å; Q344-N348 PolarHBondContact O-OD1 3.05Å; E345-N348 WeakPolarHBondContact O-CB 3.41Å; E345-N348 PolarHBondContact O-N 2.95Å; V346-N348 VanDerWaalsContact C-N 3.31Å; V346-N348 PolarHBondContact O-N 3.15Å; N348-V350 VanDerWaalsContact C-N 3.33Å; N348-V350 PolarHBondContact O-N 3.14Å; N348-N351 WeakPolarHBondContact O-CB 3.32Å; N348-N351 PolarHBondContact O-N 2.94Å; N348-N351 VanDerWaalsContact O-N 3.15Å; N348-E352 PolarHBondContact O-N 3.44Å; N348-E352 VanDerWaalsContact O-N 3.14Å
349	F	81.9	Confident	68	Low	9 Å²	9	73 Å²	73	4%	0.039	39%	0.391	C	S	.	.	H	α-helix	trans	-60.3	-43	174.9	178.6	-106.4	0	0	0	111.8	E345 V346 N351 E352 V353 I393 L448 E452 F455	E345-F349 PolarHBondContact O-N 2.85Å; E345-F349 VanDerWaalsContact O-N 3.15Å; V346-F349 PolarHBondContact O-N 3.44Å; F349-N351 VanDerWaalsContact C-N 3.27Å; F349-N351 PolarHBondContact O-N 3.12Å; F349-E352 WeakPolarHBondContact O-CB 3.42Å; F349-E352 PolarHBondContact O-N 3.37Å; F349-V353 HydrophobicContact CD1-CG2 4.14Å; F349-V353 HydrophobicContact CD2-CG1 3.97Å; F349-V353 HydrophobicContact CE1-CG1 4.07Å; F349-V353 HydrophobicContact CE1-CG2 3.82Å; F349-V353 HydrophobicContact CE2-CG1 3.45Å; F349-V353 VanDerWaalsContact CE2-CG1 3.45Å; F349-V353 HydrophobicContact CG-CG1 4.49Å; F349-V353 HydrophobicContact CZ-CB 4.4Å; F349-V353 HydrophobicContact CZ-CG1 3.5Å; F349-V353 HydrophobicContact CZ-CG2 4.12Å; F349-V353 WeakPolarHBondContact O-CG2 3.34Å; F349-V353 PolarHBondContact O-N 2.85Å; F349-I393 HydrophobicContact CE1-CG2 3.86Å; F349-I393 HydrophobicContact CZ-CG2 3.97Å; F349-L448 HydrophobicContact CD1-CD1 4.5Å; F349-L448 HydrophobicContact CE1-CD1 4.2Å; F349-E452 VanDerWaalsContact CB-CD 3.46Å; F349-E452 HydrophobicContact CB-CG 4.23Å; F349-E452 WeakPolarHBondContact CB-OE1 3.14Å; F349-E452 HydrophobicContact CD1-CB 3.94Å; F349-E452 HydrophobicContact CD1-CG 3.67Å; F349-E452 HydrophobicContact CD2-CG 3.76Å; F349-E452 HydrophobicContact CE1-CB 3.84Å; F349-E452 HydrophobicContact CE1-CG 3.87Å; F349-E452 HydrophobicContact CE2-CG 3.95Å; F349-E452 HydrophobicContact CG-CB 4.39Å; F349-E452 VanDerWaalsContact CG-CD 3.41Å; F349-E452 HydrophobicContact CG-CG 3.61Å; F349-E452 HydrophobicContact CZ-CB 4.2Å; F349-E452 HydrophobicContact CZ-CG 3.99Å; F349-F455 HydrophobicContact CE2-CD1 4.39Å
350	V	81.3	Confident	70.2	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-55.9	-42.7	174.8	168.7	0	0	0	0	111.6	V346 N348 E352 A354 A397 Y400 R401 L448	V346-V350 HydrophobicContact CG1-CG2 4.34Å; V346-V350 WeakPolarHBondContact O-CB 3.43Å; V346-V350 WeakPolarHBondContact O-CG2 3.32Å; V346-V350 PolarHBondContact O-N 3.39Å; N348-V350 VanDerWaalsContact C-N 3.33Å; N348-V350 PolarHBondContact O-N 3.14Å; V350-E352 VanDerWaalsContact C-N 3.28Å; V350-E352 PolarHBondContact O-N 3.49Å; V350-A354 HydrophobicContact CG1-CB 4.31Å; V350-A354 WeakPolarHBondContact O-CB 3.42Å; V350-A354 PolarHBondContact O-N 3.07Å; V350-A397 HydrophobicContact CG1-CB 4.49Å; V350-A397 WeakPolarHBondContact CG1-O 3.12Å; V350-A397 HydrophobicContact CG2-CB 4.16Å; V350-Y400 HydrophobicContact CG2-CD1 3.63Å; V350-Y400 HydrophobicContact CG2-CE1 4.13Å; V350-R401 HydrophobicContact CG1-CB 3.81Å; V350-R401 HydrophobicContact CG1-CG 4.13Å; V350-L448 HydrophobicContact CG2-CD2 3.4Å
351	N	80.8	Confident	72.2	Confident	73 Å²	73	64.6 Å²	64.6	39%	0.39	35%	0.349	S	S	.	.	H	α-helix	trans	-67.1	-32.1	178.9	-66.4	-27.6	0	0	0	112.1	Q347 N348 F349 R401	Q347-N351 PolarHBondContact O-N 3.27Å; Q347-N351 VanDerWaalsContact O-N 3.07Å; Q347-N351 PolarHBondContact O-ND2 3Å; Q347-N351 VanDerWaalsContact O-ND2 3.16Å; N348-N351 WeakPolarHBondContact O-CB 3.32Å; N348-N351 PolarHBondContact O-N 2.94Å; N348-N351 VanDerWaalsContact O-N 3.15Å; F349-N351 VanDerWaalsContact C-N 3.27Å; F349-N351 PolarHBondContact O-N 3.12Å; N351-R401 PolarHBondContact OD1-NH2 3.46Å
352	E	80.7	Confident	74.2	Confident	86 Å²	86	64.5 Å²	64.5	40%	0.402	35%	0.352	S	S	.	.	H	α-helix	trans	-70.7	-49.8	176.4	-173.4	179.3	168.4	0	0	111.9	N348 F349 V350 V361	N348-E352 PolarHBondContact O-N 3.44Å; N348-E352 VanDerWaalsContact O-N 3.14Å; F349-E352 WeakPolarHBondContact O-CB 3.42Å; F349-E352 PolarHBondContact O-N 3.37Å; V350-E352 VanDerWaalsContact C-N 3.28Å; V350-E352 PolarHBondContact O-N 3.49Å; E352-V361 WeakPolarHBondContact O-CG2 3.32Å
353	V	79.5	Confident	75.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-92.7	-30.4	-170.2	-55.4	0	0	0	0	114.7	F349 G355 M366 F390 T394 A397	F349-V353 HydrophobicContact CD1-CG2 4.14Å; F349-V353 HydrophobicContact CD2-CG1 3.97Å; F349-V353 HydrophobicContact CE1-CG1 4.07Å; F349-V353 HydrophobicContact CE1-CG2 3.82Å; F349-V353 HydrophobicContact CE2-CG1 3.45Å; F349-V353 VanDerWaalsContact CE2-CG1 3.45Å; F349-V353 HydrophobicContact CG-CG1 4.49Å; F349-V353 HydrophobicContact CZ-CB 4.4Å; F349-V353 HydrophobicContact CZ-CG1 3.5Å; F349-V353 HydrophobicContact CZ-CG2 4.12Å; F349-V353 WeakPolarHBondContact O-CG2 3.34Å; F349-V353 PolarHBondContact O-N 2.85Å; V353-G355 VanDerWaalsContact C-N 3.28Å; V353-G355 PolarHBondContact O-N 3.06Å; V353-M366 HydrophobicContact CG1-CE 4.35Å; V353-M366 HydrophobicContact CG1-SD 4.12Å; V353-F390 HydrophobicContact CG1-CZ 4.24Å; V353-T394 HydrophobicContact CB-CG2 4.31Å; V353-A397 HydrophobicContact CG2-CB 3.48Å; V353-A397 VanDerWaalsContact CG2-CB 3.48Å
354	A	74.2	Confident	77	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.008	32%	0.315	C	S	.	.	S	Bend	trans	-75.4	-19.9	-176.5	0	0	0	0	0	112.7	V350 A397	V350-A354 HydrophobicContact CG1-CB 4.31Å; V350-A354 WeakPolarHBondContact O-CB 3.42Å; V350-A354 PolarHBondContact O-N 3.07Å; A354-A397 HydrophobicContact CB-CB 4.23Å
355	G	66.6	Low	77.8	Confident	18 Å²	18	56 Å²	56	19%	0.186	31%	0.313	C	S	.	.			trans	57.5	-165.6	-174.8	0	0	0	0	0	113.5	V353 R401	V353-G355 VanDerWaalsContact C-N 3.28Å; V353-G355 PolarHBondContact O-N 3.06Å; G355-R401 PolarHBondContact O-NH1 3.46Å
356	T	59.3	Low	78.4	Confident	139 Å²	139	52.9 Å²	52.9	85%	0.853	30%	0.298	S	S	*	.	S	Bend	trans	-110	98.2	171.6	-52.5	0	0	0	0	108.8
357	G	60.4	Low	78.8	Confident	49 Å²	49	56.2 Å²	56.2	51%	0.505	32%	0.32	S	S	.	.	S	Bend	trans	93.7	-147.1	174.4	0	0	0	0	0	114.6	N359	G357-N359 PolarHBondContact O-N 2.83Å
358	P	59.1	Low	79.3	Confident	119 Å²	119	57.6 Å²	57.6	77%	0.773	33%	0.326	S	S	*	.	S	Bend	trans	-71.8	-14.8	-173.9	28.8	-34.1	0	0	0	113.9	R360	P358-R360 VanDerWaalsContact C-N 3.25Å; P358-R360 PolarHBondContact O-N 3.15Å
359	N	66.9	Low	79.7	Confident	133 Å²	133	53.5 Å²	53.5	71%	0.711	30%	0.304	S	S	*	.			trans	-85	70.4	179.1	-62.4	-13.5	0	0	0	109.7	G357	G357-N359 PolarHBondContact O-N 2.83Å
360	R	80.7	Confident	80.1	Confident	87 Å²	87	58 Å²	58	33%	0.328	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-63.6	146.9	166.7	-62.9	170.5	-172.8	-74.6	-9.6	108.5	P358 T394 S398	P358-R360 VanDerWaalsContact C-N 3.25Å; P358-R360 PolarHBondContact O-N 3.15Å; R360-T394 PolarHBondContact NH1-O 3.26Å; R360-S398 VanDerWaalsContact CZ-OG 3.28Å; R360-S398 VanDerWaalsContact NH1-CB 3.28Å; R360-S398 PolarHBondContact NH1-OG 2.64Å; R360-S398 PolarHBondContact NH2-OG 3.18Å
361	V	86.7	Confident	80.4	Confident	34 Å²	34	62.9 Å²	62.9	21%	0.206	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-68.3	137	177.1	-168.7	0	0	0	0	109.1	E352 E365 M366 F390	E352-V361 WeakPolarHBondContact O-CG2 3.32Å; V361-E365 HydrophobicContact CG1-CB 3.73Å; V361-M366 HydrophobicContact CB-CE 3.6Å; V361-M366 HydrophobicContact CG1-CE 3.17Å; V361-M366 HydrophobicContact CG2-CE 4.15Å; V361-F390 WeakPolarHBondContact O-CE1 3.42Å
362	Q	89.1	Confident	80.8	Confident	99 Å²	99	62.1 Å²	62.1	46%	0.463	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-76.3	154.2	176.1	-63.9	-176.9	-6.3	0	0	110.3	S364 E365	Q362-S364 VanDerWaalsContact C-N 3.25Å; Q362-S364 PolarHBondContact O-N 3.04Å; Q362-E365 HydrophobicContact CB-CB 4.42Å; Q362-E365 HydrophobicContact CB-CG 4.03Å; Q362-E365 PolarHBondContact N-OE2 2.93Å; Q362-E365 PolarHBondContact O-N 3.4Å; Q362-E365 VanDerWaalsContact O-N 3.09Å
363	W	92.8	Very high	81.1	Confident	1 Å²	1	61.2 Å²	61.2	0%	0.004	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-57.5	-43.2	175.4	171.2	81.6	0	0	0	111	E365 M366 V369 L374 A375 L378 Q386 E387 F390 P459 L460	W363-E365 PolarHBondContact O-N 3.46Å; W363-E365 VanDerWaalsContact O-N 3.15Å; W363-M366 WeakPolarHBondContact O-CB 3.13Å; W363-M366 PolarHBondContact O-N 3.41Å; W363-M366 VanDerWaalsContact O-N 3.14Å; W363-V369 HydrophobicContact CD2-CG1 4.15Å; W363-V369 HydrophobicContact CD2-CG2 4.22Å; W363-V369 HydrophobicContact CE3-CG1 4.21Å; W363-V369 HydrophobicContact CG-CG2 4.39Å; W363-V369 HydrophobicContact CH2-CG1 3.72Å; W363-V369 HydrophobicContact CZ2-CG1 3.66Å; W363-V369 HydrophobicContact CZ2-CG2 3.98Å; W363-V369 HydrophobicContact CZ3-CG1 4.02Å; W363-V369 WeakPolarHBondContact O-CG2 3.36Å; W363-L374 HydrophobicContact CH2-CB 4.09Å; W363-L374 HydrophobicContact CZ2-CB 4.21Å; W363-A375 HydrophobicContact CH2-CB 4.44Å; W363-A375 HydrophobicContact CZ3-CB 4.04Å; W363-L378 HydrophobicContact CH2-CD1 3.51Å; W363-L378 HydrophobicContact CZ3-CD1 3.95Å; W363-Q386 HydrophobicContact CD2-CB 3.71Å; W363-Q386 HydrophobicContact CE3-CB 3.74Å; W363-Q386 HydrophobicContact CG-CB 4.23Å; W363-Q386 HydrophobicContact CH2-CB 4.33Å; W363-Q386 HydrophobicContact CH2-CG 4.25Å; W363-Q386 HydrophobicContact CZ2-CB 4.28Å; W363-Q386 HydrophobicContact CZ2-CG 4.2Å; W363-Q386 HydrophobicContact CZ3-CB 4.06Å; W363-Q386 HydrophobicContact CZ3-CG 4.39Å; W363-E387 WeakPolarHBondContact CB-OE1 3.08Å; W363-E387 PolarHBondContact N-OE1 3.24Å; W363-E387 PolarHBondContact N-OE2 2.94Å; W363-F390 HydrophobicContact CB-CB 3.68Å; W363-F390 HydrophobicContact CB-CD1 3.81Å; W363-F390 HydrophobicContact CB-CG 3.81Å; W363-F390 HydrophobicContact CG-CB 4.22Å; W363-F390 HydrophobicContact CG-CG 4.39Å; W363-P459 PolarHBondContact NE1-O 2.93Å; W363-L460 HydrophobicContact CH2-CD2 4.31Å; W363-L460 HydrophobicContact CZ2-CD2 3.84Å
364	S	90.7	Very high	81.6	Confident	43 Å²	43	63.6 Å²	63.6	30%	0.301	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-63.5	-19.9	178.9	59	0	0	0	0	114.7	Q362 I370 E387	Q362-S364 VanDerWaalsContact C-N 3.25Å; Q362-S364 PolarHBondContact O-N 3.04Å; S364-I370 WeakPolarHBondContact O-CG1 3.35Å; S364-E387 PolarHBondContact N-OE1 3.03Å
365	E	88.9	Confident	82.1	Confident	102 Å²	102	64.7 Å²	64.7	48%	0.477	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-90.4	-6.1	-179.2	-66.1	174.2	160.3	0	0	112.6	V361 Q362 W363 I370	V361-E365 HydrophobicContact CG1-CB 3.73Å; Q362-E365 HydrophobicContact CB-CB 4.42Å; Q362-E365 HydrophobicContact CB-CG 4.03Å; Q362-E365 PolarHBondContact N-OE2 2.93Å; Q362-E365 PolarHBondContact O-N 3.4Å; Q362-E365 VanDerWaalsContact O-N 3.09Å; W363-E365 PolarHBondContact O-N 3.46Å; W363-E365 VanDerWaalsContact O-N 3.15Å; E365-I370 WeakPolarHBondContact O-CD1 3.42Å
366	M	89.9	Confident	83	Confident	4 Å²	4	71.8 Å²	71.8	2%	0.02	41%	0.406	C	S	.	.			trans	-67	134.3	-179.1	-76.9	-75	102.2	0	0	112	V353 V361 W363 Q368 V369 I370 F390 F455	V353-M366 HydrophobicContact CG1-CE 4.35Å; V353-M366 HydrophobicContact CG1-SD 4.12Å; V361-M366 HydrophobicContact CB-CE 3.6Å; V361-M366 HydrophobicContact CG1-CE 3.17Å; V361-M366 HydrophobicContact CG2-CE 4.15Å; W363-M366 WeakPolarHBondContact O-CB 3.13Å; W363-M366 PolarHBondContact O-N 3.41Å; W363-M366 VanDerWaalsContact O-N 3.14Å; M366-Q368 PolarHBondContact O-N 2.67Å; M366-Q368 VanDerWaalsContact O-N 3.15Å; M366-V369 HydrophobicContact CB-CB 4.16Å; M366-V369 HydrophobicContact CB-CG2 3.87Å; M366-V369 WeakPolarHBondContact O-CB 3.46Å; M366-V369 PolarHBondContact O-N 3.29Å; M366-I370 WeakPolarHBondContact O-CG1 3.42Å; M366-I370 PolarHBondContact O-N 3.48Å; M366-F390 HydrophobicContact CE-CZ 4.33Å; M366-F390 HydrophobicContact CG-CE1 3.89Å; M366-F390 HydrophobicContact CG-CE2 4.12Å; M366-F390 HydrophobicContact CG-CZ 3.49Å; M366-F390 VanDerWaalsContact CG-CZ 3.49Å; M366-F390 HydrophobicContact SD-CE1 4.3Å; M366-F390 HydrophobicContact SD-CE2 4.34Å; M366-F390 HydrophobicContact SD-CZ 3.57Å; M366-F390 VanDerWaalsContact SD-CZ 3.57Å; M366-F455 HydrophobicContact CB-CZ 3.96Å; M366-F455 HydrophobicContact CG-CE1 4.33Å; M366-F455 HydrophobicContact CG-CZ 3.82Å; M366-F455 HydrophobicContact SD-CE1 4.19Å; M366-F455 HydrophobicContact SD-CZ 4.27Å
367	P	86.7	Confident	84.1	Confident	73 Å²	73	72.1 Å²	72.1	47%	0.474	40%	0.403	S	S	.	.	H	α-helix	trans	-54.7	-37	180	-26.5	33.9	0	0	0	113.4	V369 S371	P367-V369 VanDerWaalsContact C-N 3.32Å; P367-V369 PolarHBondContact O-N 3.03Å; P367-S371 WeakPolarHBondContact O-CB 3.44Å; P367-S371 PolarHBondContact O-N 2.83Å; P367-S371 PolarHBondContact O-OG 3.38Å
368	Q	87	Confident	85.5	Confident	53 Å²	53	71 Å²	71	25%	0.248	39%	0.385	C	S	.	.	H	α-helix	trans	-67.5	-33.2	178.3	-55.2	83.6	-8	0	0	111.9	M366 S371 A372 P459	M366-Q368 PolarHBondContact O-N 2.67Å; M366-Q368 VanDerWaalsContact O-N 3.15Å; Q368-S371 WeakPolarHBondContact CA-OG 3.34Å; Q368-S371 PolarHBondContact O-OG 3.29Å; Q368-A372 WeakPolarHBondContact O-CB 3.13Å; Q368-A372 PolarHBondContact O-N 3.43Å; Q368-P459 HydrophobicContact CB-CG 4.11Å
369	V	90.7	Very high	87	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-79.3	-41.3	179.8	176.2	0	0	0	0	110.6	W363 M366 P367 D373 L374 A375 F455 P459	W363-V369 HydrophobicContact CD2-CG1 4.15Å; W363-V369 HydrophobicContact CD2-CG2 4.22Å; W363-V369 HydrophobicContact CE3-CG1 4.21Å; W363-V369 HydrophobicContact CG-CG2 4.39Å; W363-V369 HydrophobicContact CH2-CG1 3.72Å; W363-V369 HydrophobicContact CZ2-CG1 3.66Å; W363-V369 HydrophobicContact CZ2-CG2 3.98Å; W363-V369 HydrophobicContact CZ3-CG1 4.02Å; W363-V369 WeakPolarHBondContact O-CG2 3.36Å; M366-V369 HydrophobicContact CB-CB 4.16Å; M366-V369 HydrophobicContact CB-CG2 3.87Å; M366-V369 WeakPolarHBondContact O-CB 3.46Å; M366-V369 PolarHBondContact O-N 3.29Å; P367-V369 VanDerWaalsContact C-N 3.32Å; P367-V369 PolarHBondContact O-N 3.03Å; V369-D373 PolarHBondContact O-N 2.74Å; V369-L374 HydrophobicContact CG1-CB 4.18Å; V369-L374 PolarHBondContact O-N 3.08Å; V369-L374 VanDerWaalsContact O-N 3.14Å; V369-A375 HydrophobicContact CG1-CB 4.29Å; V369-F455 HydrophobicContact CG2-CZ 4.37Å; V369-P459 HydrophobicContact CG2-CB 3.93Å
370	I	89.5	Confident	88.1	Confident	105 Å²	105	67.1 Å²	67.1	54%	0.538	36%	0.361	S	S	.	.	H	α-helix	trans	-65.8	-47.2	176.1	-63.8	169.8	0	0	0	110.5	S364 E365 M366 A372 D373	S364-I370 WeakPolarHBondContact O-CG1 3.35Å; E365-I370 WeakPolarHBondContact O-CD1 3.42Å; M366-I370 WeakPolarHBondContact O-CG1 3.42Å; M366-I370 PolarHBondContact O-N 3.48Å; I370-A372 VanDerWaalsContact C-N 3.29Å; I370-A372 PolarHBondContact O-N 3.2Å; I370-D373 PolarHBondContact O-N 3.05Å
371	S	88.7	Confident	88.6	Confident	101 Å²	101	69.3 Å²	69.3	71%	0.706	37%	0.37	S	S	*	.	H	α-helix	trans	-64.6	-32.8	-178.8	55	0	0	0	0	113.2	P367 Q368	P367-S371 WeakPolarHBondContact O-CB 3.44Å; P367-S371 PolarHBondContact O-N 2.83Å; P367-S371 PolarHBondContact O-OG 3.38Å; Q368-S371 WeakPolarHBondContact CA-OG 3.34Å; Q368-S371 PolarHBondContact O-OG 3.29Å
372	A	88.5	Confident	88.8	Confident	57 Å²	57	70.5 Å²	70.5	47%	0.471	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	0.5	174.5	0	0	0	0	0	113.7	Q368 I370 L374	Q368-A372 WeakPolarHBondContact O-CB 3.13Å; Q368-A372 PolarHBondContact O-N 3.43Å; I370-A372 VanDerWaalsContact C-N 3.29Å; I370-A372 PolarHBondContact O-N 3.2Å; A372-L374 HydrophobicContact CB-CD1 4.05Å; A372-L374 HydrophobicContact CB-CD2 4.26Å; A372-L374 HydrophobicContact CB-CG 3.73Å; A372-L374 PolarHBondContact O-N 3.49Å; A372-L374 VanDerWaalsContact O-N 3.1Å
373	D	88	Confident	89.1	Confident	67 Å²	67	68.8 Å²	68.8	36%	0.358	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	27.9	179.5	-159.9	36.4	0	0	0	114.7	V369 I370 A375 R376	V369-D373 PolarHBondContact O-N 2.74Å; I370-D373 PolarHBondContact O-N 3.05Å; D373-A375 PolarHBondContact O-N 3.26Å; D373-R376 VanDerWaalsContact CG-CZ 3.42Å; D373-R376 VanDerWaalsContact CG-NE 3.29Å; D373-R376 PolarHBondContact O-N 2.78Å; D373-R376 IonicContact OD1-CZ 3.21Å; D373-R376 IonicContact OD1-NE 2.9Å; D373-R376 PolarHBondContact OD1-NE 3.02Å; D373-R376 IonicContact OD1-NH2 2.81Å; D373-R376 PolarHBondContact OD1-NH2 2.94Å; D373-R376 IonicContact OD2-CZ 2.83Å; D373-R376 IonicContact OD2-NE 2.89Å; D373-R376 PolarHBondContact OD2-NE 3.34Å; D373-R376 IonicContact OD2-NH1 3.51Å; D373-R376 IonicContact OD2-NH2 2.87Å; D373-R376 PolarHBondContact OD2-NH2 3.36Å
374	L	89	Confident	89.1	Confident	51 Å²	51	72.9 Å²	72.9	27%	0.267	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.4	-170.5	-63.9	171.4	0	0	0	113	W363 V369 A372 L378 P459 L460	W363-L374 HydrophobicContact CH2-CB 4.09Å; W363-L374 HydrophobicContact CZ2-CB 4.21Å; V369-L374 HydrophobicContact CG1-CB 4.18Å; V369-L374 PolarHBondContact O-N 3.08Å; V369-L374 VanDerWaalsContact O-N 3.14Å; A372-L374 HydrophobicContact CB-CD1 4.05Å; A372-L374 HydrophobicContact CB-CD2 4.26Å; A372-L374 HydrophobicContact CB-CG 3.73Å; A372-L374 PolarHBondContact O-N 3.49Å; A372-L374 VanDerWaalsContact O-N 3.1Å; L374-L378 WeakPolarHBondContact O-CD1 3.48Å; L374-L378 VanDerWaalsContact O-CG 3.22Å; L374-L378 WeakPolarHBondContact O-CG 3.32Å; L374-P459 HydrophobicContact CD1-CB 3.8Å; L374-P459 HydrophobicContact CD1-CG 4.21Å; L374-L460 HydrophobicContact CD1-CG 4.43Å
375	A	86	Confident	89.3	Confident	24 Å²	24	71.4 Å²	71.4	20%	0.198	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-16.5	-175.2	0	0	0	0	0	113.8	W363 V369 D373 K383	W363-A375 HydrophobicContact CH2-CB 4.44Å; W363-A375 HydrophobicContact CZ3-CB 4.04Å; V369-A375 HydrophobicContact CG1-CB 4.29Å; D373-A375 PolarHBondContact O-N 3.26Å; A375-K383 WeakPolarHBondContact O-CE 3.12Å; A375-K383 PolarHBondContact O-NZ 3.36Å
376	R	83.6	Confident	89.7	Confident	167 Å²	167	67 Å²	67	63%	0.63	35%	0.35	S	S	*	.	S	Bend	trans	-65.4	-52.1	-169.5	-169.3	-179.3	-60	-171.7	5.4	112.5	D373	D373-R376 VanDerWaalsContact CG-CZ 3.42Å; D373-R376 VanDerWaalsContact CG-NE 3.29Å; D373-R376 PolarHBondContact O-N 2.78Å; D373-R376 IonicContact OD1-CZ 3.21Å; D373-R376 IonicContact OD1-NE 2.9Å; D373-R376 PolarHBondContact OD1-NE 3.02Å; D373-R376 IonicContact OD1-NH2 2.81Å; D373-R376 PolarHBondContact OD1-NH2 2.94Å; D373-R376 IonicContact OD2-CZ 2.83Å; D373-R376 IonicContact OD2-NE 2.89Å; D373-R376 PolarHBondContact OD2-NE 3.34Å; D373-R376 IonicContact OD2-NH1 3.51Å; D373-R376 IonicContact OD2-NH2 2.87Å; D373-R376 PolarHBondContact OD2-NH2 3.36Å
377	D	84.1	Confident	89.9	Confident	145 Å²	145	69.3 Å²	69.3	78%	0.775	36%	0.361	S	S	*	.	S	Bend	trans	-98.4	5.5	-170.2	-58.5	-35.6	0	0	0	113.9
378	L	88.4	Confident	90.3	Very high	26 Å²	26	66.2 Å²	66.2	14%	0.136	34%	0.341	C	S	.	.			trans	-77.5	133.4	178.6	-75.2	175.4	0	0	0	111.8	W363 L374 Q382 K383 L460	W363-L378 HydrophobicContact CH2-CD1 3.51Å; W363-L378 HydrophobicContact CZ3-CD1 3.95Å; L374-L378 WeakPolarHBondContact O-CD1 3.48Å; L374-L378 VanDerWaalsContact O-CG 3.22Å; L374-L378 WeakPolarHBondContact O-CG 3.32Å; L378-Q382 HydrophobicContact CD2-CB 4.37Å; L378-Q382 HydrophobicContact CD2-CG 3.85Å; L378-Q382 VanDerWaalsContact CD2-NE2 3.34Å; L378-K383 HydrophobicContact CB-CD 4.49Å; L378-K383 HydrophobicContact CB-CG 3.81Å; L378-K383 WeakPolarHBondContact O-CE 3.34Å; L378-K383 PolarHBondContact O-NZ 3.08Å; L378-L460 HydrophobicContact CD1-CD2 4.5Å
379	P	91.3	Very high	90.8	Very high	51 Å²	51	63.7 Å²	63.7	33%	0.331	33%	0.329	S	S	.	.			trans	-66	151.9	173.2	28.7	-34.3	0	0	0	110.9	Y381 Q382 K383	P379-Y381 HydrophobicContact CB-CD1 3.73Å; P379-Y381 HydrophobicContact CB-CE1 3.55Å; P379-Y381 HydrophobicContact CG-CD1 3.82Å; P379-Y381 HydrophobicContact CG-CE1 3.25Å; P379-Y381 PolarHBondContact O-N 3.12Å; P379-Y381 VanDerWaalsContact O-N 3.1Å; P379-Q382 HydrophobicContact CG-CB 3.82Å; P379-Q382 PolarHBondContact O-N 2.9Å; P379-K383 PolarHBondContact O-N 3.46Å
380	D	90.3	Very high	91	Very high	120 Å²	120	63.8 Å²	63.8	64%	0.642	33%	0.33	S	S	*	.	H	α-helix	trans	-55	-35.4	-174.2	-71.2	-14.4	0	0	0	113.9	K384	D380-K384 WeakPolarHBondContact O-CG 3.43Å; D380-K384 PolarHBondContact O-N 3.32Å; D380-K384 VanDerWaalsContact O-N 3.09Å
381	Y	90.5	Very high	91.2	Very high	133 Å²	133	61.8 Å²	61.8	52%	0.522	32%	0.318	S	S	.	.	H	α-helix	trans	-66.9	-38.3	177.6	79.1	-93.8	0	0	0	111.7	P379 K384 L385	P379-Y381 HydrophobicContact CB-CD1 3.73Å; P379-Y381 HydrophobicContact CB-CE1 3.55Å; P379-Y381 HydrophobicContact CG-CD1 3.82Å; P379-Y381 HydrophobicContact CG-CE1 3.25Å; P379-Y381 PolarHBondContact O-N 3.12Å; P379-Y381 VanDerWaalsContact O-N 3.1Å; Y381-K384 PolarHBondContact O-N 3.3Å; Y381-L385 PolarHBondContact O-N 2.71Å; Y381-L385 VanDerWaalsContact O-N 3.07Å
382	Q	92.2	Very high	91.6	Very high	58 Å²	58	57 Å²	57	27%	0.271	29%	0.285	S	S	.	.	H	α-helix	trans	-75.9	-34.8	-179.7	-169.8	170.1	-9.4	0	0	110.9	L378 P379 K384 L385 Q386	L378-Q382 HydrophobicContact CD2-CB 4.37Å; L378-Q382 HydrophobicContact CD2-CG 3.85Å; L378-Q382 VanDerWaalsContact CD2-NE2 3.34Å; P379-Q382 HydrophobicContact CG-CB 3.82Å; P379-Q382 PolarHBondContact O-N 2.9Å; Q382-K384 VanDerWaalsContact C-N 3.34Å; Q382-K384 PolarHBondContact O-N 3.25Å; Q382-L385 WeakPolarHBondContact O-CB 3.36Å; Q382-L385 PolarHBondContact O-N 2.9Å; Q382-Q386 WeakPolarHBondContact O-CG 3.26Å; Q382-Q386 PolarHBondContact O-N 3.18Å
383	K	93.4	Very high	91.8	Very high	64 Å²	64	54.3 Å²	54.3	28%	0.278	26%	0.262	S	S	.	.	H	α-helix	trans	-56.6	-48.2	168.4	-72.4	174.7	171.6	161.1	0	111.2	A375 L378 P379 L385 Q386 E387	A375-K383 WeakPolarHBondContact O-CE 3.12Å; A375-K383 PolarHBondContact O-NZ 3.36Å; L378-K383 HydrophobicContact CB-CD 4.49Å; L378-K383 HydrophobicContact CB-CG 3.81Å; L378-K383 WeakPolarHBondContact O-CE 3.34Å; L378-K383 PolarHBondContact O-NZ 3.08Å; P379-K383 PolarHBondContact O-N 3.46Å; K383-L385 VanDerWaalsContact C-N 3.31Å; K383-L385 PolarHBondContact O-N 3.3Å; K383-Q386 PolarHBondContact O-N 2.85Å; K383-Q386 VanDerWaalsContact O-N 3.14Å; K383-E387 WeakPolarHBondContact O-CG 3.47Å; K383-E387 PolarHBondContact O-N 2.96Å
384	K	94.6	Very high	92.1	Very high	86 Å²	86	51.2 Å²	51.2	37%	0.374	25%	0.246	S	C	.	.	H	α-helix	trans	-61.1	-37.1	176.4	-72.1	174.5	-176.7	174.4	0	113.1	D380 Y381 Q382 A388 Y544	D380-K384 WeakPolarHBondContact O-CG 3.43Å; D380-K384 PolarHBondContact O-N 3.32Å; D380-K384 VanDerWaalsContact O-N 3.09Å; Y381-K384 PolarHBondContact O-N 3.3Å; Q382-K384 VanDerWaalsContact C-N 3.34Å; Q382-K384 PolarHBondContact O-N 3.25Å; K384-A388 WeakPolarHBondContact O-CB 3.43Å; K384-A388 PolarHBondContact O-N 3.46Å; K384-Y544 HydrophobicContact CB-CD1 3.99Å; K384-Y544 HydrophobicContact CB-CD2 4.35Å; K384-Y544 HydrophobicContact CB-CE1 4.04Å; K384-Y544 HydrophobicContact CB-CE2 4.4Å; K384-Y544 HydrophobicContact CB-CG 4.14Å; K384-Y544 HydrophobicContact CD-CD1 4.37Å; K384-Y544 HydrophobicContact CD-CE1 3.82Å
385	L	95.1	Very high	92.3	Very high	12 Å²	12	49.2 Å²	49.2	6%	0.063	24%	0.236	C	C	.	.	H	α-helix	trans	-63.5	-45.5	173.1	175.7	61.2	0	0	0	111.5	Y381 Q382 K383 A388 L389 I541 A545	Y381-L385 PolarHBondContact O-N 2.71Å; Y381-L385 VanDerWaalsContact O-N 3.07Å; Q382-L385 WeakPolarHBondContact O-CB 3.36Å; Q382-L385 PolarHBondContact O-N 2.9Å; K383-L385 VanDerWaalsContact C-N 3.31Å; K383-L385 PolarHBondContact O-N 3.3Å; L385-A388 PolarHBondContact O-N 3.36Å; L385-L389 HydrophobicContact CD1-CD1 4.27Å; L385-L389 HydrophobicContact CD1-CG 4.33Å; L385-L389 HydrophobicContact CG-CD1 4.1Å; L385-L389 WeakPolarHBondContact O-CG 3.4Å; L385-L389 PolarHBondContact O-N 3.32Å; L385-I541 HydrophobicContact CD1-CG2 4.02Å; L385-A545 HydrophobicContact CD1-CB 4Å; L385-A545 HydrophobicContact CD2-CB 4.49Å
386	Q	95.5	Very high	92.7	Very high	11 Å²	11	48.1 Å²	48.1	5%	0.051	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-42	178.2	-68.8	-58.6	-29	0	0	112.1	W363 Q382 K383 A388 L389 F390 L460	W363-Q386 HydrophobicContact CD2-CB 3.71Å; W363-Q386 HydrophobicContact CE3-CB 3.74Å; W363-Q386 HydrophobicContact CG-CB 4.23Å; W363-Q386 HydrophobicContact CH2-CB 4.33Å; W363-Q386 HydrophobicContact CH2-CG 4.25Å; W363-Q386 HydrophobicContact CZ2-CB 4.28Å; W363-Q386 HydrophobicContact CZ2-CG 4.2Å; W363-Q386 HydrophobicContact CZ3-CB 4.06Å; W363-Q386 HydrophobicContact CZ3-CG 4.39Å; Q382-Q386 WeakPolarHBondContact O-CG 3.26Å; Q382-Q386 PolarHBondContact O-N 3.18Å; K383-Q386 PolarHBondContact O-N 2.85Å; K383-Q386 VanDerWaalsContact O-N 3.14Å; Q386-A388 PolarHBondContact O-N 2.78Å; Q386-L389 PolarHBondContact O-N 3.4Å; Q386-F390 WeakPolarHBondContact O-CB 3.31Å; Q386-F390 PolarHBondContact O-N 3.35Å; Q386-L460 HydrophobicContact CG-CD2 4.42Å; Q386-L460 PolarHBondContact NE2-O 2.94Å; Q386-L460 VanDerWaalsContact NE2-O 3.08Å; Q386-L460 PolarHBondContact OE1-O 3.26Å
387	E	94.9	Very high	93.2	Very high	52 Å²	52	40.2 Å²	40.2	24%	0.243	20%	0.197	C	C	.	.	H	α-helix	trans	-61.3	-42.2	172.5	-67.6	-59.3	156.7	0	0	111.9	W363 S364 K383 L389 F390 E391	W363-E387 WeakPolarHBondContact CB-OE1 3.08Å; W363-E387 PolarHBondContact N-OE1 3.24Å; W363-E387 PolarHBondContact N-OE2 2.94Å; S364-E387 PolarHBondContact N-OE1 3.03Å; K383-E387 WeakPolarHBondContact O-CG 3.47Å; K383-E387 PolarHBondContact O-N 2.96Å; E387-L389 PolarHBondContact O-N 3.38Å; E387-F390 PolarHBondContact O-N 3.25Å; E387-E391 WeakPolarHBondContact O-CB 2.89Å; E387-E391 PolarHBondContact O-N 3.5Å
388	A	95.7	Very high	93.5	Very high	7 Å²	7	34.3 Å²	34.3	6%	0.058	17%	0.167	C	C	.	.	H	α-helix	trans	-65.7	-37.9	177.8	0	0	0	0	0	112.7	K384 L385 Q386 I541 Y544	K384-A388 WeakPolarHBondContact O-CB 3.43Å; K384-A388 PolarHBondContact O-N 3.46Å; L385-A388 PolarHBondContact O-N 3.36Å; Q386-A388 PolarHBondContact O-N 2.78Å; A388-I541 HydrophobicContact CB-CG1 4.1Å; A388-Y544 HydrophobicContact CB-CD2 4.31Å
389	L	96.1	Very high	93.8	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-64.4	-48.8	173.5	-71.9	164.9	0	0	0	110.5	L385 Q386 E387 E391 V392 L464 I541 T551	L385-L389 HydrophobicContact CD1-CD1 4.27Å; L385-L389 HydrophobicContact CD1-CG 4.33Å; L385-L389 HydrophobicContact CG-CD1 4.1Å; L385-L389 WeakPolarHBondContact O-CG 3.4Å; L385-L389 PolarHBondContact O-N 3.32Å; Q386-L389 PolarHBondContact O-N 3.4Å; E387-L389 PolarHBondContact O-N 3.38Å; L389-E391 VanDerWaalsContact C-N 3.3Å; L389-E391 PolarHBondContact O-N 3.03Å; L389-V392 VanDerWaalsContact O-CB 3.32Å; L389-V392 WeakPolarHBondContact O-CB 3.3Å; L389-V392 PolarHBondContact O-N 3.46Å; L389-V392 VanDerWaalsContact O-N 3.12Å; L389-L464 HydrophobicContact CB-CD2 4Å; L389-L464 HydrophobicContact CD2-CB 3.98Å; L389-L464 HydrophobicContact CD2-CD2 3.89Å; L389-L464 WeakPolarHBondContact O-CD2 3.17Å; L389-I541 HydrophobicContact CD2-CD1 4.04Å; L389-I541 HydrophobicContact CD2-CG1 4.19Å; L389-I541 HydrophobicContact CD2-CG2 3.91Å; L389-T551 HydrophobicContact CD2-CG2 4.2Å
390	F	95.4	Very high	93.9	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.009	15%	0.149	C	C	.	.	H	α-helix	trans	-68.3	-27.5	-179.9	-166.8	-113.1	0	0	0	113.1	V353 V361 W363 M366 Q386 E387 V392 I393 T394 F455 I461	V353-F390 HydrophobicContact CG1-CZ 4.24Å; V361-F390 WeakPolarHBondContact O-CE1 3.42Å; W363-F390 HydrophobicContact CB-CB 3.68Å; W363-F390 HydrophobicContact CB-CD1 3.81Å; W363-F390 HydrophobicContact CB-CG 3.81Å; W363-F390 HydrophobicContact CG-CB 4.22Å; W363-F390 HydrophobicContact CG-CG 4.39Å; M366-F390 HydrophobicContact CE-CZ 4.33Å; M366-F390 HydrophobicContact CG-CE1 3.89Å; M366-F390 HydrophobicContact CG-CE2 4.12Å; M366-F390 HydrophobicContact CG-CZ 3.49Å; M366-F390 VanDerWaalsContact CG-CZ 3.49Å; M366-F390 HydrophobicContact SD-CE1 4.3Å; M366-F390 HydrophobicContact SD-CE2 4.34Å; M366-F390 HydrophobicContact SD-CZ 3.57Å; M366-F390 VanDerWaalsContact SD-CZ 3.57Å; Q386-F390 WeakPolarHBondContact O-CB 3.31Å; Q386-F390 PolarHBondContact O-N 3.35Å; E387-F390 PolarHBondContact O-N 3.25Å; F390-V392 PolarHBondContact O-N 2.73Å; F390-I393 HydrophobicContact CD2-CB 4.47Å; F390-I393 HydrophobicContact CD2-CD1 4.35Å; F390-I393 PolarHBondContact O-N 3.36Å; F390-I393 VanDerWaalsContact O-N 3.08Å; F390-T394 HydrophobicContact CD1-CG2 3.67Å; F390-T394 HydrophobicContact CE1-CG2 3.36Å; F390-T394 HydrophobicContact CG-CG2 4.43Å; F390-T394 HydrophobicContact CZ-CG2 3.89Å; F390-T394 PolarHBondContact O-N 3.03Å; F390-T394 PolarHBondContact O-OG1 3.18Å; F390-F455 HydrophobicContact CD2-CD2 4.25Å; F390-F455 AromaticContact CD2-CE2 3.95Å; F390-F455 HydrophobicContact CD2-CE2 3.95Å; F390-F455 HydrophobicContact CD2-CZ 4.36Å; F390-F455 HydrophobicContact CE2-CD1 4.45Å; F390-F455 HydrophobicContact CE2-CD2 4.16Å; F390-F455 HydrophobicContact CE2-CE1 4.1Å; F390-F455 AromaticContact CE2-CE2 3.79Å; F390-F455 HydrophobicContact CE2-CE2 3.79Å; F390-F455 HydrophobicContact CE2-CG 4.47Å; F390-F455 AromaticContact CE2-CZ 3.75Å; F390-F455 HydrophobicContact CE2-CZ 3.75Å; F390-F455 HydrophobicContact CZ-CZ 4.44Å; F390-I461 HydrophobicContact CD2-CD1 4.14Å
391	E	94.2	Very high	94	Very high	63 Å²	63	29.4 Å²	29.4	29%	0.294	13%	0.132	S	C	.	.	H	α-helix	trans	-57.2	-33.7	171.4	-165.6	-171.5	156.1	0	0	111.3	E387 L389 I393 T394 S395 R533 L537	E387-E391 WeakPolarHBondContact O-CB 2.89Å; E387-E391 PolarHBondContact O-N 3.5Å; L389-E391 VanDerWaalsContact C-N 3.3Å; L389-E391 PolarHBondContact O-N 3.03Å; E391-I393 PolarHBondContact O-N 3.19Å; E391-T394 WeakPolarHBondContact CA-OG1 3.48Å; E391-T394 PolarHBondContact O-OG1 3.31Å; E391-S395 WeakPolarHBondContact O-CB 3.45Å; E391-S395 PolarHBondContact O-N 3.17Å; E391-S395 PolarHBondContact O-OG 3.34Å; E391-R533 IonicContact OE1-CZ 3.37Å; E391-R533 IonicContact OE1-NH2 2.73Å; E391-R533 PolarHBondContact OE1-NH2 3.18Å; E391-L537 HydrophobicContact CB-CD2 4.42Å; E391-L537 HydrophobicContact CG-CD2 3.89Å; E391-L537 VanDerWaalsContact OE1-CD2 3.28Å; E391-L537 WeakPolarHBondContact OE1-CD2 3.49Å
392	V	96	Very high	94.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61	-47.9	175.1	-177.1	0	0	0	0	110.7	L389 F390 S395 E396 M451 L464 I468 L537 I541	L389-V392 VanDerWaalsContact O-CB 3.32Å; L389-V392 WeakPolarHBondContact O-CB 3.3Å; L389-V392 PolarHBondContact O-N 3.46Å; L389-V392 VanDerWaalsContact O-N 3.12Å; F390-V392 PolarHBondContact O-N 2.73Å; V392-S395 PolarHBondContact O-N 2.95Å; V392-S395 PolarHBondContact O-OG 3.24Å; V392-E396 WeakPolarHBondContact O-CB 3.41Å; V392-E396 PolarHBondContact O-N 3.13Å; V392-M451 HydrophobicContact CG1-SD 4.09Å; V392-L464 HydrophobicContact CB-CD2 4.03Å; V392-L464 HydrophobicContact CG2-CD2 4.24Å; V392-I468 HydrophobicContact CG1-CD1 4.08Å; V392-L537 HydrophobicContact CG2-CB 4.13Å; V392-I541 HydrophobicContact CG2-CD1 3.6Å
393	I	94.3	Very high	94.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-65.9	-50.9	-178.4	-56.5	-172.4	0	0	0	110.5	F349 F390 E391 S395 E396 A397 L448 M451 F455 I461 L464	F349-I393 HydrophobicContact CE1-CG2 3.86Å; F349-I393 HydrophobicContact CZ-CG2 3.97Å; F390-I393 HydrophobicContact CD2-CB 4.47Å; F390-I393 HydrophobicContact CD2-CD1 4.35Å; F390-I393 PolarHBondContact O-N 3.36Å; F390-I393 VanDerWaalsContact O-N 3.08Å; E391-I393 PolarHBondContact O-N 3.19Å; I393-S395 VanDerWaalsContact C-N 3.3Å; I393-S395 PolarHBondContact O-N 2.85Å; I393-E396 PolarHBondContact O-N 3.39Å; I393-A397 PolarHBondContact O-N 3.24Å; I393-L448 HydrophobicContact CG2-CD1 4.28Å; I393-M451 HydrophobicContact CD1-CB 4.17Å; I393-M451 HydrophobicContact CG1-CB 4.1Å; I393-M451 HydrophobicContact CG1-SD 4.08Å; I393-F455 HydrophobicContact CD1-CB 4.13Å; I393-I461 HydrophobicContact CD1-CD1 3.57Å; I393-I461 HydrophobicContact CD1-CG2 4.45Å; I393-L464 HydrophobicContact CG1-CD1 4.43Å
394	T	93.2	Very high	94.2	Very high	3 Å²	3	21.6 Å²	21.6	2%	0.018	10%	0.103	C	C	.	.	H	α-helix	trans	-61.6	-41.7	179.5	58.9	0	0	0	0	110.8	V353 R360 F390 E391 E396 A397 S398	V353-T394 HydrophobicContact CB-CG2 4.31Å; R360-T394 PolarHBondContact NH1-O 3.26Å; F390-T394 HydrophobicContact CD1-CG2 3.67Å; F390-T394 HydrophobicContact CE1-CG2 3.36Å; F390-T394 HydrophobicContact CG-CG2 4.43Å; F390-T394 HydrophobicContact CZ-CG2 3.89Å; F390-T394 PolarHBondContact O-N 3.03Å; F390-T394 PolarHBondContact O-OG1 3.18Å; E391-T394 WeakPolarHBondContact CA-OG1 3.48Å; E391-T394 PolarHBondContact O-OG1 3.31Å; T394-E396 VanDerWaalsContact C-N 3.34Å; T394-E396 PolarHBondContact O-N 3.5Å; T394-A397 WeakPolarHBondContact O-CB 3.39Å; T394-A397 PolarHBondContact O-N 2.98Å; T394-S398 PolarHBondContact O-N 2.95Å
395	S	93.5	Very high	94.1	Very high	9 Å²	9	19 Å²	19	6%	0.063	9%	0.093	C	C	.	.	H	α-helix	trans	-63.2	-38.6	177.5	76.1	0	0	0	0	112.6	E391 V392 I393 Y399 R530 L537	E391-S395 WeakPolarHBondContact O-CB 3.45Å; E391-S395 PolarHBondContact O-N 3.17Å; E391-S395 PolarHBondContact O-OG 3.34Å; V392-S395 PolarHBondContact O-N 2.95Å; V392-S395 PolarHBondContact O-OG 3.24Å; I393-S395 VanDerWaalsContact C-N 3.3Å; I393-S395 PolarHBondContact O-N 2.85Å; S395-Y399 WeakPolarHBondContact O-CB 3.1Å; S395-Y399 PolarHBondContact O-N 2.94Å; S395-R530 PolarHBondContact OG-NH1 3.44Å; S395-R530 PolarHBondContact OG-NH2 3.23Å; S395-L537 VanDerWaalsContact OG-CD1 3.3Å; S395-L537 WeakPolarHBondContact OG-CD1 3.28Å
396	E	94.8	Very high	94.1	Very high	1 Å²	1	18.4 Å²	18.4	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-66	-44.2	173.5	-172.7	62.2	-150.2	0	0	110.9	V392 I393 T394 S398 Y399 Y400 S444 F447 L448 M451 R530	V392-E396 WeakPolarHBondContact O-CB 3.41Å; V392-E396 PolarHBondContact O-N 3.13Å; I393-E396 PolarHBondContact O-N 3.39Å; T394-E396 VanDerWaalsContact C-N 3.34Å; T394-E396 PolarHBondContact O-N 3.5Å; E396-S398 VanDerWaalsContact C-N 3.34Å; E396-S398 PolarHBondContact O-N 3.08Å; E396-Y399 WeakPolarHBondContact O-CB 3.41Å; E396-Y399 PolarHBondContact O-N 3.48Å; E396-Y399 VanDerWaalsContact O-N 3.1Å; E396-Y399 WeakPolarHBondContact OE1-CD1 3.05Å; E396-Y400 WeakPolarHBondContact O-CB 3.35Å; E396-Y400 PolarHBondContact O-N 3.44Å; E396-S444 WeakPolarHBondContact OE1-CA 3.42Å; E396-S444 VanDerWaalsContact OE1-CB 3.29Å; E396-S444 WeakPolarHBondContact OE1-CB 3.45Å; E396-S444 PolarHBondContact OE1-OG 3.02Å; E396-F447 VanDerWaalsContact CD-CD1 3.42Å; E396-F447 HydrophobicContact CG-CD1 3.79Å; E396-F447 HydrophobicContact CG-CE1 4.14Å; E396-F447 WeakPolarHBondContact OE2-CD1 3.4Å; E396-F447 WeakPolarHBondContact OE2-CE1 2.97Å; E396-L448 HydrophobicContact CB-CD1 4.2Å; E396-L448 HydrophobicContact CG-CB 3.93Å; E396-L448 HydrophobicContact CG-CD1 4.15Å; E396-M451 HydrophobicContact CB-CE 3.63Å; E396-M451 HydrophobicContact CG-CE 3.62Å; E396-R530 IonicContact OE2-CZ 3.99Å; E396-R530 IonicContact OE2-NE 3.95Å; E396-R530 PolarHBondContact OE2-NE 3.03Å; E396-R530 IonicContact OE2-NH2 2.76Å; E396-R530 PolarHBondContact OE2-NH2 2.77Å
397	A	93	Very high	94	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-58.3	-43.6	178.1	0	0	0	0	0	112.5	V350 V353 A354 I393 T394 R401 L448	V350-A397 HydrophobicContact CG1-CB 4.49Å; V350-A397 WeakPolarHBondContact CG1-O 3.12Å; V350-A397 HydrophobicContact CG2-CB 4.16Å; V353-A397 HydrophobicContact CG2-CB 3.48Å; V353-A397 VanDerWaalsContact CG2-CB 3.48Å; A354-A397 HydrophobicContact CB-CB 4.23Å; I393-A397 PolarHBondContact O-N 3.24Å; T394-A397 WeakPolarHBondContact O-CB 3.39Å; T394-A397 PolarHBondContact O-N 2.98Å; A397-R401 WeakPolarHBondContact O-CB 3.28Å; A397-R401 PolarHBondContact O-N 3.45Å; A397-L448 HydrophobicContact CB-CD1 4.07Å; A397-L448 HydrophobicContact CB-CD2 4.15Å
398	S	91.7	Very high	94	Very high	22 Å²	22	19.3 Å²	19.3	15%	0.154	9%	0.094	C	C	.	.	H	α-helix	trans	-66.8	-40.9	174	-68.5	0	0	0	0	113	R360 T394 E396 R401 T402	R360-S398 VanDerWaalsContact CZ-OG 3.28Å; R360-S398 VanDerWaalsContact NH1-CB 3.28Å; R360-S398 PolarHBondContact NH1-OG 2.64Å; R360-S398 PolarHBondContact NH2-OG 3.18Å; T394-S398 PolarHBondContact O-N 2.95Å; E396-S398 VanDerWaalsContact C-N 3.34Å; E396-S398 PolarHBondContact O-N 3.08Å; S398-R401 WeakPolarHBondContact O-CB 3.3Å; S398-R401 PolarHBondContact O-N 2.93Å; S398-T402 PolarHBondContact O-N 3.38Å; S398-T402 PolarHBondContact O-OG1 3.14Å
399	Y	94.3	Very high	93.8	Very high	17 Å²	17	22.5 Å²	22.5	7%	0.067	11%	0.107	C	C	.	.	H	α-helix	trans	-61	-48.3	177.6	168.6	-114.3	0	0	0	111.1	S395 E396 R401 T402 L403 I440 S444 Y479 L526 P527 R530	S395-Y399 WeakPolarHBondContact O-CB 3.1Å; S395-Y399 PolarHBondContact O-N 2.94Å; E396-Y399 WeakPolarHBondContact O-CB 3.41Å; E396-Y399 PolarHBondContact O-N 3.48Å; E396-Y399 VanDerWaalsContact O-N 3.1Å; E396-Y399 WeakPolarHBondContact OE1-CD1 3.05Å; Y399-R401 VanDerWaalsContact C-N 3.32Å; Y399-R401 PolarHBondContact O-N 3.28Å; Y399-T402 PolarHBondContact O-N 2.9Å; Y399-T402 VanDerWaalsContact O-N 3.11Å; Y399-L403 HydrophobicContact CD1-CD1 4.18Å; Y399-L403 HydrophobicContact CD2-CG 4.26Å; Y399-L403 HydrophobicContact CE1-CD1 3.52Å; Y399-L403 HydrophobicContact CE1-CG 4.22Å; Y399-L403 HydrophobicContact CE2-CD1 3.97Å; Y399-L403 HydrophobicContact CE2-CD2 3.94Å; Y399-L403 HydrophobicContact CE2-CG 3.79Å; Y399-L403 VanDerWaalsContact CZ-CD1 3.41Å; Y399-L403 PolarHBondContact O-N 3.46Å; Y399-I440 VanDerWaalsContact OH-CG2 3.23Å; Y399-I440 WeakPolarHBondContact OH-CG2 3.41Å; Y399-S444 WeakPolarHBondContact CD1-OG 3.34Å; Y399-Y479 WeakPolarHBondContact CE1-OH 3.29Å; Y399-Y479 WeakPolarHBondContact OH-CE1 3.43Å; Y399-Y479 PolarHBondContact OH-OH 2.86Å; Y399-L526 HydrophobicContact CD2-CB 4.37Å; Y399-L526 HydrophobicContact CE2-CB 3.9Å; Y399-P527 WeakPolarHBondContact OH-CA 3.46Å; Y399-R530 HydrophobicContact CD1-CB 4.49Å; Y399-R530 HydrophobicContact CD1-CG 3.82Å; Y399-R530 HydrophobicContact CD2-CB 4.17Å; Y399-R530 HydrophobicContact CD2-CG 4.32Å; Y399-R530 HydrophobicContact CE1-CB 4.15Å; Y399-R530 HydrophobicContact CE1-CG 3.68Å; Y399-R530 HydrophobicContact CE2-CB 3.8Å; Y399-R530 HydrophobicContact CE2-CG 4.19Å; Y399-R530 HydrophobicContact CG-CB 4.49Å; Y399-R530 HydrophobicContact CG-CG 4.13Å
400	Y	94.4	Very high	93.7	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-55.6	-45	173.4	174.5	-98.7	0	0	0	111.7	V346 V350 E396 T402 L403 H404 F441 E445 L448	V346-Y400 HydrophobicContact CG1-CE1 4.08Å; V350-Y400 HydrophobicContact CG2-CD1 3.63Å; V350-Y400 HydrophobicContact CG2-CE1 4.13Å; E396-Y400 WeakPolarHBondContact O-CB 3.35Å; E396-Y400 PolarHBondContact O-N 3.44Å; Y400-T402 VanDerWaalsContact C-N 3.31Å; Y400-T402 PolarHBondContact O-N 3.2Å; Y400-L403 PolarHBondContact O-N 3.04Å; Y400-H404 WeakPolarHBondContact O-CB 3.24Å; Y400-H404 PolarHBondContact O-N 2.92Å; Y400-F441 HydrophobicContact CD2-CD2 4.32Å; Y400-F441 AromaticContact CD2-CE2 3.91Å; Y400-F441 HydrophobicContact CD2-CE2 3.91Å; Y400-F441 AromaticContact CE2-CD2 4Å; Y400-F441 HydrophobicContact CE2-CD2 4Å; Y400-F441 HydrophobicContact CE2-CE1 4.35Å; Y400-F441 AromaticContact CE2-CE2 3.28Å; Y400-F441 HydrophobicContact CE2-CE2 3.28Å; Y400-F441 AromaticContact CE2-CZ 3.5Å; Y400-F441 HydrophobicContact CE2-CZ 3.5Å; Y400-F441 AromaticContact CZ-CE2 3.74Å; Y400-F441 AromaticContact CZ-CZ 3.7Å; Y400-F441 WeakPolarHBondContact OH-CZ 3.49Å; Y400-E445 HydrophobicContact CD2-CB 4.25Å; Y400-E445 HydrophobicContact CE2-CB 3.67Å; Y400-E445 HydrophobicContact CE2-CG 3.94Å; Y400-L448 HydrophobicContact CD1-CD2 4.19Å; Y400-L448 HydrophobicContact CG-CD2 4.16Å
401	R	91.6	Very high	93.7	Very high	75 Å²	75	25.4 Å²	25.4	28%	0.283	12%	0.118	S	C	.	.	H	α-helix	trans	-58.1	-43.8	176	-165	177.3	-151.9	166.7	6.1	112.2	V350 N351 G355 A397 S398 Y399 H404 I405	V350-R401 HydrophobicContact CG1-CB 3.81Å; V350-R401 HydrophobicContact CG1-CG 4.13Å; N351-R401 PolarHBondContact OD1-NH2 3.46Å; G355-R401 PolarHBondContact O-NH1 3.46Å; A397-R401 WeakPolarHBondContact O-CB 3.28Å; A397-R401 PolarHBondContact O-N 3.45Å; S398-R401 WeakPolarHBondContact O-CB 3.3Å; S398-R401 PolarHBondContact O-N 2.93Å; Y399-R401 VanDerWaalsContact C-N 3.32Å; Y399-R401 PolarHBondContact O-N 3.28Å; R401-H404 WeakPolarHBondContact O-CB 3.5Å; R401-H404 PolarHBondContact O-N 2.84Å; R401-I405 WeakPolarHBondContact O-CG1 3.44Å; R401-I405 PolarHBondContact O-N 2.96Å; R401-I405 VanDerWaalsContact O-N 3.12Å
402	T	92.2	Very high	93.6	Very high	34 Å²	34	27.5 Å²	27.5	21%	0.209	13%	0.126	C	C	.	.	H	α-helix	trans	-69	-37.8	178.7	-48	0	0	0	0	111.6	S398 Y399 Y400 I405 L406 F523 L526	S398-T402 PolarHBondContact O-N 3.38Å; S398-T402 PolarHBondContact O-OG1 3.14Å; Y399-T402 PolarHBondContact O-N 2.9Å; Y399-T402 VanDerWaalsContact O-N 3.11Å; Y400-T402 VanDerWaalsContact C-N 3.31Å; Y400-T402 PolarHBondContact O-N 3.2Å; T402-I405 PolarHBondContact O-N 3.43Å; T402-L406 PolarHBondContact O-N 2.94Å; T402-L406 VanDerWaalsContact O-N 3.09Å; T402-F523 HydrophobicContact CG2-CD1 3.66Å; T402-F523 HydrophobicContact CG2-CE1 3.4Å; T402-F523 HydrophobicContact CG2-CZ 4.48Å; T402-L526 HydrophobicContact CG2-CD1 3.28Å; T402-L526 HydrophobicContact CG2-CD2 4.27Å; T402-L526 HydrophobicContact CG2-CG 4.42Å
403	L	94.4	Very high	93.5	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-64.5	-40	171.1	-70.9	-178.1	0	0	0	112.3	Y399 Y400 I405 L406 I407 I437 I440 F441 P527	Y399-L403 HydrophobicContact CD1-CD1 4.18Å; Y399-L403 HydrophobicContact CD2-CG 4.26Å; Y399-L403 HydrophobicContact CE1-CD1 3.52Å; Y399-L403 HydrophobicContact CE1-CG 4.22Å; Y399-L403 HydrophobicContact CE2-CD1 3.97Å; Y399-L403 HydrophobicContact CE2-CD2 3.94Å; Y399-L403 HydrophobicContact CE2-CG 3.79Å; Y399-L403 VanDerWaalsContact CZ-CD1 3.41Å; Y399-L403 PolarHBondContact O-N 3.46Å; Y400-L403 PolarHBondContact O-N 3.04Å; L403-I405 VanDerWaalsContact C-N 3.26Å; L403-I405 PolarHBondContact O-N 2.97Å; L403-L406 HydrophobicContact CD2-CD2 4.48Å; L403-L406 WeakPolarHBondContact O-CA 3.37Å; L403-L406 WeakPolarHBondContact O-CB 3.46Å; L403-L406 PolarHBondContact O-N 2.91Å; L403-L406 VanDerWaalsContact O-N 3.08Å; L403-I407 WeakPolarHBondContact O-CG1 3.5Å; L403-I407 PolarHBondContact O-N 3.49Å; L403-I437 HydrophobicContact CD2-CD1 3.97Å; L403-I440 HydrophobicContact CD1-CG2 4.07Å; L403-F441 HydrophobicContact CB-CD2 3.9Å; L403-P527 HydrophobicContact CD2-CG 4.44Å
404	H	93.1	Very high	93.4	Very high	57 Å²	57	32 Å²	32	26%	0.264	16%	0.156	S	C	.	.	H	α-helix	trans	-59.1	-41.6	176.7	-173.8	67.1	0	0	0	110.9	Y400 R401 I407 E408 F441	Y400-H404 WeakPolarHBondContact O-CB 3.24Å; Y400-H404 PolarHBondContact O-N 2.92Å; R401-H404 WeakPolarHBondContact O-CB 3.5Å; R401-H404 PolarHBondContact O-N 2.84Å; H404-I407 PolarHBondContact O-N 3.45Å; H404-E408 VanDerWaalsContact CE1-CG 3.41Å; H404-E408 WeakPolarHBondContact CE1-CG 3.48Å; H404-E408 IonicContact CE1-OE1 3.97Å; H404-E408 WeakPolarHBondContact O-CB 3.46Å; H404-E408 WeakPolarHBondContact O-CG 3.32Å; H404-E408 PolarHBondContact O-N 3.3Å; H404-F441 HydrophobicContact CB-CE2 3.84Å; H404-F441 AromaticContact ND1-CE2 3.92Å; H404-F441 AromaticContact ND1-CZ 3.73Å
405	I	92.7	Very high	93.4	Very high	32 Å²	32	32.7 Å²	32.7	16%	0.164	16%	0.161	C	C	.	.	H	α-helix	trans	-61.1	-46.6	172.7	-66.1	157.7	0	0	0	110.9	R401 T402 L403 I407 K409 S514 F523	R401-I405 WeakPolarHBondContact O-CG1 3.44Å; R401-I405 PolarHBondContact O-N 2.96Å; R401-I405 VanDerWaalsContact O-N 3.12Å; T402-I405 PolarHBondContact O-N 3.43Å; L403-I405 VanDerWaalsContact C-N 3.26Å; L403-I405 PolarHBondContact O-N 2.97Å; I405-I407 VanDerWaalsContact C-N 3.3Å; I405-I407 PolarHBondContact O-N 3Å; I405-K409 HydrophobicContact CG2-CB 4.37Å; I405-K409 HydrophobicContact CG2-CG 4.05Å; I405-K409 WeakPolarHBondContact O-CA 3.49Å; I405-K409 WeakPolarHBondContact O-CB 3.39Å; I405-K409 PolarHBondContact O-N 3.15Å; I405-S514 VanDerWaalsContact CD1-O 3.29Å; I405-S514 WeakPolarHBondContact CD1-O 3.23Å; I405-F523 HydrophobicContact CB-CE1 4.1Å; I405-F523 HydrophobicContact CG2-CE1 3.81Å; I405-F523 HydrophobicContact CG2-CZ 3.77Å
406	L	94.8	Very high	93.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.158	C	C	.	.	I	π-helix	trans	-56.7	-44.6	176	175.1	58.2	0	0	0	111.6	T402 L403 F410 Y411 F434 I437 L520 F523	T402-L406 PolarHBondContact O-N 2.94Å; T402-L406 VanDerWaalsContact O-N 3.09Å; L403-L406 HydrophobicContact CD2-CD2 4.48Å; L403-L406 WeakPolarHBondContact O-CA 3.37Å; L403-L406 WeakPolarHBondContact O-CB 3.46Å; L403-L406 PolarHBondContact O-N 2.91Å; L403-L406 VanDerWaalsContact O-N 3.08Å; L406-F410 HydrophobicContact CD1-CB 4.1Å; L406-F410 HydrophobicContact CD1-CD2 4.31Å; L406-F410 HydrophobicContact CD1-CG 4.42Å; L406-F410 WeakPolarHBondContact O-CB 3.32Å; L406-F410 PolarHBondContact O-N 3.35Å; L406-Y411 PolarHBondContact O-N 3.15Å; L406-F434 HydrophobicContact CD1-CD1 4.47Å; L406-F434 HydrophobicContact CD1-CE1 3.96Å; L406-I437 HydrophobicContact CD2-CD1 3.78Å; L406-I437 HydrophobicContact CD2-CG1 3.68Å; L406-I437 HydrophobicContact CG-CG1 4.43Å; L406-L520 HydrophobicContact CD1-CD1 4.12Å; L406-F523 HydrophobicContact CB-CB 4.25Å; L406-F523 HydrophobicContact CB-CD1 4.05Å; L406-F523 HydrophobicContact CB-CG 4.42Å; L406-F523 HydrophobicContact CD1-CB 3.78Å; L406-F523 HydrophobicContact CD1-CG 4.5Å; L406-F523 HydrophobicContact CD2-CB 4.16Å; L406-F523 HydrophobicContact CG-CB 4.28Å
407	I	94.6	Very high	93.2	Very high	8 Å²	8	34.2 Å²	34.2	4%	0.041	17%	0.167	C	C	.	.	I	π-helix	trans	-68	-53.8	-179.9	-65.3	-62.3	0	0	0	111.3	L403 H404 I405 Y411 K412 I437 F441	L403-I407 WeakPolarHBondContact O-CG1 3.5Å; L403-I407 PolarHBondContact O-N 3.49Å; H404-I407 PolarHBondContact O-N 3.45Å; I405-I407 VanDerWaalsContact C-N 3.3Å; I405-I407 PolarHBondContact O-N 3Å; I407-Y411 HydrophobicContact CD1-CD1 4.45Å; I407-Y411 HydrophobicContact CD1-CG 4.27Å; I407-Y411 WeakPolarHBondContact O-CB 2.82Å; I407-Y411 PolarHBondContact O-N 3.31Å; I407-K412 HydrophobicContact CG2-CD 4.28Å; I407-K412 HydrophobicContact CG2-CG 4.4Å; I407-K412 WeakPolarHBondContact O-CB 3.47Å; I407-K412 WeakPolarHBondContact O-CG 3.39Å; I407-K412 PolarHBondContact O-N 2.93Å; I407-I437 HydrophobicContact CD1-CG1 4.18Å; I407-I437 HydrophobicContact CD1-CG2 3.87Å; I407-F441 HydrophobicContact CD1-CB 4.3Å; I407-F441 HydrophobicContact CG1-CB 3.98Å; I407-F441 HydrophobicContact CG1-CD1 4.46Å; I407-F441 HydrophobicContact CG1-CD2 4.02Å; I407-F441 HydrophobicContact CG1-CG 3.88Å
408	E	93.4	Very high	93	Very high	73 Å²	73	36.8 Å²	36.8	34%	0.341	18%	0.184	S	C	.	.	I	π-helix	trans	-72.5	-38.9	-173.9	-67.9	-55.3	129.1	0	0	113.2	H404 K412	H404-E408 VanDerWaalsContact CE1-CG 3.41Å; H404-E408 WeakPolarHBondContact CE1-CG 3.48Å; H404-E408 IonicContact CE1-OE1 3.97Å; H404-E408 WeakPolarHBondContact O-CB 3.46Å; H404-E408 WeakPolarHBondContact O-CG 3.32Å; H404-E408 PolarHBondContact O-N 3.3Å; E408-K412 WeakPolarHBondContact OE1-CE 3.47Å; E408-K412 IonicContact OE1-NZ 3.74Å; E408-K412 PolarHBondContact OE1-NZ 3.1Å; E408-K412 IonicContact OE2-NZ 3.83Å
409	K	92.4	Very high	92.9	Very high	75 Å²	75	42.4 Å²	42.4	33%	0.326	21%	0.212	S	C	.	.	I	π-helix	trans	-93.5	-29.4	-171.6	-59	-59.3	-173.2	167.5	0	114	I405 A413 I509 S514	I405-K409 HydrophobicContact CG2-CB 4.37Å; I405-K409 HydrophobicContact CG2-CG 4.05Å; I405-K409 WeakPolarHBondContact O-CA 3.49Å; I405-K409 WeakPolarHBondContact O-CB 3.39Å; I405-K409 PolarHBondContact O-N 3.15Å; K409-A413 WeakPolarHBondContact O-CB 3.47Å; K409-I509 HydrophobicContact CB-CG2 3.99Å; K409-I509 VanDerWaalsContact O-CG2 3.27Å; K409-I509 WeakPolarHBondContact O-CG2 3.22Å; K409-S514 WeakPolarHBondContact CE-OG 3.47Å
410	F	94.4	Very high	92.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.22	C	C	.	.	I	π-helix	trans	-112	-59.3	-180	-62.2	-93.6	0	0	0	111.2	L406 K412 A413 M416 F434 V506 I509 Q510 L520 F523	L406-F410 HydrophobicContact CD1-CB 4.1Å; L406-F410 HydrophobicContact CD1-CD2 4.31Å; L406-F410 HydrophobicContact CD1-CG 4.42Å; L406-F410 WeakPolarHBondContact O-CB 3.32Å; L406-F410 PolarHBondContact O-N 3.35Å; F410-K412 VanDerWaalsContact C-N 3.33Å; F410-K412 PolarHBondContact O-N 3.45Å; F410-A413 VanDerWaalsContact O-CB 3.29Å; F410-A413 WeakPolarHBondContact O-CB 3.04Å; F410-A413 PolarHBondContact O-N 3.31Å; F410-A413 VanDerWaalsContact O-N 3.1Å; F410-M416 VanDerWaalsContact O-CB 3.29Å; F410-M416 WeakPolarHBondContact O-CB 3.18Å; F410-M416 VanDerWaalsContact O-CG 3.23Å; F410-M416 WeakPolarHBondContact O-CG 3.39Å; F410-F434 HydrophobicContact CB-CE1 4.27Å; F410-F434 HydrophobicContact CB-CZ 4.22Å; F410-V506 HydrophobicContact CE1-CG1 4.48Å; F410-I509 HydrophobicContact CD1-CB 4.38Å; F410-I509 HydrophobicContact CD1-CD1 4.27Å; F410-I509 HydrophobicContact CD1-CG2 3.77Å; F410-I509 HydrophobicContact CD2-CG2 4.12Å; F410-I509 HydrophobicContact CE1-CB 4.05Å; F410-I509 HydrophobicContact CE1-CG2 3.54Å; F410-I509 HydrophobicContact CE2-CG2 3.91Å; F410-I509 HydrophobicContact CG-CG2 4.07Å; F410-I509 HydrophobicContact CZ-CB 4.46Å; F410-I509 HydrophobicContact CZ-CG2 3.62Å; F410-Q510 HydrophobicContact CE1-CG 4.09Å; F410-Q510 HydrophobicContact CZ-CG 3.93Å; F410-L520 HydrophobicContact CB-CD1 4.22Å; F410-L520 HydrophobicContact CD1-CB 4.35Å; F410-L520 HydrophobicContact CD1-CD1 3.7Å; F410-L520 HydrophobicContact CD1-CG 4.42Å; F410-L520 HydrophobicContact CE1-CB 4.01Å; F410-L520 HydrophobicContact CE1-CD1 4.16Å; F410-L520 HydrophobicContact CG-CD1 3.96Å; F410-F523 AromaticContact CE2-CD2 3.87Å; F410-F523 HydrophobicContact CE2-CD2 3.87Å; F410-F523 AromaticContact CE2-CE2 3.82Å; F410-F523 HydrophobicContact CE2-CE2 3.82Å; F410-F523 HydrophobicContact CE2-CZ 4.47Å; F410-F523 HydrophobicContact CZ-CD2 4.24Å; F410-F523 HydrophobicContact CZ-CE2 4.22Å
411	Y	94.4	Very high	92.3	Very high	63 Å²	63	53.5 Å²	53.5	25%	0.247	27%	0.265	C	S	.	.	I	π-helix	trans	-61.7	-38.3	-173.1	-178.6	-93.5	0	0	0	113.3	L406 I407 Q417 F434 I437	L406-Y411 PolarHBondContact O-N 3.15Å; I407-Y411 HydrophobicContact CD1-CD1 4.45Å; I407-Y411 HydrophobicContact CD1-CG 4.27Å; I407-Y411 WeakPolarHBondContact O-CB 2.82Å; I407-Y411 PolarHBondContact O-N 3.31Å; Y411-Q417 PolarHBondContact O-NE2 3.38Å; Y411-F434 HydrophobicContact CD2-CB 3.81Å; Y411-F434 HydrophobicContact CD2-CD1 4Å; Y411-F434 AromaticContact CD2-CD2 3.88Å; Y411-F434 HydrophobicContact CD2-CD2 3.88Å; Y411-F434 HydrophobicContact CD2-CE2 4.43Å; Y411-F434 AromaticContact CD2-CG 3.63Å; Y411-F434 HydrophobicContact CD2-CG 3.63Å; Y411-F434 HydrophobicContact CE2-CB 4Å; Y411-F434 HydrophobicContact CE2-CD2 4.44Å; Y411-F434 HydrophobicContact CE2-CG 4.26Å; Y411-I437 HydrophobicContact CD2-CG2 3.94Å; Y411-I437 HydrophobicContact CE2-CG2 4.23Å
412	K	93.6	Very high	92.1	Very high	108 Å²	108	53.8 Å²	53.8	47%	0.47	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-0	177.6	-68.5	-178.3	179.3	175	0	114.1	I407 E408 F410	I407-K412 HydrophobicContact CG2-CD 4.28Å; I407-K412 HydrophobicContact CG2-CG 4.4Å; I407-K412 WeakPolarHBondContact O-CB 3.47Å; I407-K412 WeakPolarHBondContact O-CG 3.39Å; I407-K412 PolarHBondContact O-N 2.93Å; E408-K412 WeakPolarHBondContact OE1-CE 3.47Å; E408-K412 IonicContact OE1-NZ 3.74Å; E408-K412 PolarHBondContact OE1-NZ 3.1Å; E408-K412 IonicContact OE2-NZ 3.83Å; F410-K412 VanDerWaalsContact C-N 3.33Å; F410-K412 PolarHBondContact O-N 3.45Å
413	A	92.8	Very high	92	Very high	9 Å²	9	54 Å²	54	7%	0.074	28%	0.278	C	S	.	.			trans	-60.3	139.8	-179.7	0	0	0	0	0	110.5	K409 F410 C415 M416 Q417 I509	K409-A413 WeakPolarHBondContact O-CB 3.47Å; F410-A413 VanDerWaalsContact O-CB 3.29Å; F410-A413 WeakPolarHBondContact O-CB 3.04Å; F410-A413 PolarHBondContact O-N 3.31Å; F410-A413 VanDerWaalsContact O-N 3.1Å; A413-C415 PolarHBondContact O-N 2.98Å; A413-M416 HydrophobicContact CB-CB 4.26Å; A413-M416 HydrophobicContact CB-CG 4.04Å; A413-M416 CarbonylContact O-C 3.58Å; A413-M416 WeakPolarHBondContact O-CA 3.29Å; A413-M416 PolarHBondContact O-N 3.48Å; A413-Q417 PolarHBondContact O-N 3.3Å; A413-Q417 PolarHBondContact O-NE2 3.22Å; A413-I509 HydrophobicContact CB-CD1 3.86Å
414	P	92.4	Very high	91.9	Very high	84 Å²	84	55.9 Å²	55.9	55%	0.545	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-57.7	-31.3	176.7	-27.7	35.6	0	0	0	113.6	M416 Q417 S420 T422	P414-M416 PolarHBondContact O-N 3.12Å; P414-Q417 PolarHBondContact O-N 3.38Å; P414-S420 WeakPolarHBondContact O-CB 3.09Å; P414-S420 PolarHBondContact O-OG 3.42Å; P414-T422 WeakPolarHBondContact CB-OG1 3.01Å; P414-T422 PolarHBondContact O-OG1 2.8Å
415	C	92.3	Very high	91.9	Very high	19 Å²	19	53.6 Å²	53.6	13%	0.128	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-74.7	-13.1	175.9	61.1	0	0	0	0	113.9	A413 T422 S423 V424 A505	A413-C415 PolarHBondContact O-N 2.98Å; C415-T422 VanDerWaalsContact CA-O 3.29Å; C415-T422 WeakPolarHBondContact CA-O 3.5Å; C415-S423 WeakPolarHBondContact O-CA 3.11Å; C415-V424 HydrophobicContact CB-CG2 4.24Å; C415-V424 VanDerWaalsContact O-CG2 3.23Å; C415-V424 WeakPolarHBondContact O-CG2 3.36Å; C415-V424 PolarHBondContact O-N 2.98Å; C415-A505 HydrophobicContact CB-CB 4.12Å
416	M	91.7	Very high	91.9	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-105.5	5.9	176.7	-59.3	-67.5	-176.4	0	0	112.4	F410 A413 P414 I425 K430 F502 V506	F410-M416 VanDerWaalsContact O-CB 3.29Å; F410-M416 WeakPolarHBondContact O-CB 3.18Å; F410-M416 VanDerWaalsContact O-CG 3.23Å; F410-M416 WeakPolarHBondContact O-CG 3.39Å; A413-M416 HydrophobicContact CB-CB 4.26Å; A413-M416 HydrophobicContact CB-CG 4.04Å; A413-M416 CarbonylContact O-C 3.58Å; A413-M416 WeakPolarHBondContact O-CA 3.29Å; A413-M416 PolarHBondContact O-N 3.48Å; P414-M416 PolarHBondContact O-N 3.12Å; M416-I425 HydrophobicContact CB-CD1 4.05Å; M416-I425 HydrophobicContact SD-CD1 3.79Å; M416-I425 HydrophobicContact SD-CG1 4.43Å; M416-I425 HydrophobicContact SD-CG2 4.22Å; M416-K430 WeakPolarHBondContact O-CD 3.43Å; M416-K430 WeakPolarHBondContact O-CE 3.42Å; M416-F502 HydrophobicContact CE-CD2 4.29Å; M416-F502 HydrophobicContact CE-CE2 3.59Å; M416-F502 HydrophobicContact CE-CZ 4.09Å; M416-F502 HydrophobicContact SD-CE2 3.86Å; M416-V506 HydrophobicContact CE-CG2 3.5Å; M416-V506 VanDerWaalsContact CE-CG2 3.5Å
417	Q	93.4	Very high	91.8	Very high	42 Å²	42	58.6 Å²	58.6	20%	0.196	32%	0.318	C	S	.	.			trans	-96.7	115.5	176.6	-76.6	-19.5	-79.2	0	0	109.3	Y411 A413 P414 D419 S420 S423	Y411-Q417 PolarHBondContact O-NE2 3.38Å; A413-Q417 PolarHBondContact O-N 3.3Å; A413-Q417 PolarHBondContact O-NE2 3.22Å; P414-Q417 PolarHBondContact O-N 3.38Å; Q417-D419 WeakPolarHBondContact CB-OD1 3.3Å; Q417-D419 PolarHBondContact O-N 3.31Å; Q417-S420 VanDerWaalsContact O-CB 3.31Å; Q417-S420 WeakPolarHBondContact O-CB 3.28Å; Q417-S420 PolarHBondContact O-N 3.49Å; Q417-S423 WeakPolarHBondContact O-CB 3.43Å; Q417-S423 PolarHBondContact O-OG 2.89Å; Q417-S423 VanDerWaalsContact O-OG 3.13Å
418	P	88.5	Confident	91.6	Very high	53 Å²	53	61.2 Å²	61.2	34%	0.344	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-29.3	-177.1	-22.8	34.2	0	0	0	113.8	A427 K430	P418-A427 HydrophobicContact CB-CB 4.11Å; P418-A427 HydrophobicContact CG-CB 4.01Å; P418-K430 HydrophobicContact CG-CD 4.08Å
419	D	89.1	Confident	91.6	Very high	140 Å²	140	59 Å²	59	75%	0.749	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-10.2	178.5	57.4	-45.3	0	0	0	113.7	Q417	Q417-D419 WeakPolarHBondContact CB-OD1 3.3Å; Q417-D419 PolarHBondContact O-N 3.31Å
420	S	89.3	Confident	91.7	Very high	33 Å²	33	56.6 Å²	56.6	23%	0.231	31%	0.31	C	S	.	.	S	Bend	trans	-84.4	141.8	-179	167.1	0	0	0	0	111.9	P414 Q417 T422 S423	P414-S420 WeakPolarHBondContact O-CB 3.09Å; P414-S420 PolarHBondContact O-OG 3.42Å; Q417-S420 VanDerWaalsContact O-CB 3.31Å; Q417-S420 WeakPolarHBondContact O-CB 3.28Å; Q417-S420 PolarHBondContact O-N 3.49Å; S420-T422 PolarHBondContact O-N 3.03Å; S420-T422 PolarHBondContact OG-N 3.24Å; S420-T422 PolarHBondContact OG-OG1 2.86Å; S420-S423 VanDerWaalsContact O-CB 3.29Å; S420-S423 WeakPolarHBondContact O-CB 3.43Å; S420-S423 PolarHBondContact O-N 3.07Å
421	K	86.8	Confident	91.6	Very high	219 Å²	219	62.6 Å²	62.6	95%	0.952	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.4	173.4	-63.3	-175.8	-180	-177.9	0	113.9
422	T	87.6	Confident	91.5	Very high	81 Å²	81	60.1 Å²	60.1	50%	0.497	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	9.7	-179.9	57.9	0	0	0	0	112.8	P414 C415 S420 V424	P414-T422 WeakPolarHBondContact CB-OG1 3.01Å; P414-T422 PolarHBondContact O-OG1 2.8Å; C415-T422 VanDerWaalsContact CA-O 3.29Å; C415-T422 WeakPolarHBondContact CA-O 3.5Å; S420-T422 PolarHBondContact O-N 3.03Å; S420-T422 PolarHBondContact OG-N 3.24Å; S420-T422 PolarHBondContact OG-OG1 2.86Å; T422-V424 PolarHBondContact O-N 3.32Å
423	S	90.8	Very high	91.6	Very high	39 Å²	39	55 Å²	55	27%	0.273	30%	0.301	S	S	.	.			trans	-59.6	134	-176.8	-167.1	0	0	0	0	112.4	C415 Q417 S420 I425	C415-S423 WeakPolarHBondContact O-CA 3.11Å; Q417-S423 WeakPolarHBondContact O-CB 3.43Å; Q417-S423 PolarHBondContact O-OG 2.89Å; Q417-S423 VanDerWaalsContact O-OG 3.13Å; S420-S423 VanDerWaalsContact O-CB 3.29Å; S420-S423 WeakPolarHBondContact O-CB 3.43Å; S420-S423 PolarHBondContact O-N 3.07Å; S423-I425 PolarHBondContact OG-N 3.32Å; S423-I425 PolarHBondContact OG-O 3.48Å
424	V	92.2	Very high	91.7	Very high	39 Å²	39	54.6 Å²	54.6	24%	0.236	30%	0.298	C	S	.	.			trans	-112	4.2	171.2	-63.5	0	0	0	0	112.4	C415 T422 A501 F502 A505	C415-V424 HydrophobicContact CB-CG2 4.24Å; C415-V424 VanDerWaalsContact O-CG2 3.23Å; C415-V424 WeakPolarHBondContact O-CG2 3.36Å; C415-V424 PolarHBondContact O-N 2.98Å; T422-V424 PolarHBondContact O-N 3.32Å; V424-A501 HydrophobicContact CG1-CB 4.13Å; V424-F502 HydrophobicContact CG2-CB 4.43Å; V424-F502 HydrophobicContact CG2-CD2 3.89Å; V424-A505 HydrophobicContact CG1-CB 4.36Å; V424-A505 HydrophobicContact CG2-CB 3.98Å
425	I	93	Very high	91.8	Very high	8 Å²	8	51.7 Å²	51.7	4%	0.041	28%	0.28	C	S	.	.	S	Bend	trans	-136.3	148.7	-179.2	66	175.6	0	0	0	112.2	M416 S423 E429 K430 L496 F502	M416-I425 HydrophobicContact CB-CD1 4.05Å; M416-I425 HydrophobicContact SD-CD1 3.79Å; M416-I425 HydrophobicContact SD-CG1 4.43Å; M416-I425 HydrophobicContact SD-CG2 4.22Å; S423-I425 PolarHBondContact OG-N 3.32Å; S423-I425 PolarHBondContact OG-O 3.48Å; I425-E429 HydrophobicContact CB-CB 4.33Å; I425-K430 HydrophobicContact CD1-CB 3.63Å; I425-K430 HydrophobicContact CD1-CG 3.97Å; I425-K430 HydrophobicContact CG1-CB 4.4Å; I425-L496 HydrophobicContact CG2-CD1 3.87Å; I425-L496 HydrophobicContact CG2-CD2 3.92Å; I425-F502 HydrophobicContact CG2-CD2 3.61Å; I425-F502 HydrophobicContact CG2-CE2 3.65Å
426	T	92.6	Very high	91.9	Very high	73 Å²	73	51.8 Å²	51.8	45%	0.448	28%	0.279	S	S	.	.			trans	-79	163.4	171.4	61.6	0	0	0	0	112.2	I428 E429 K430	T426-I428 VanDerWaalsContact C-N 3.28Å; T426-I428 PolarHBondContact O-N 3.42Å; T426-E429 WeakPolarHBondContact CB-OE2 3.4Å; T426-E429 WeakPolarHBondContact CG2-OE2 3.03Å; T426-E429 PolarHBondContact N-OE2 3.31Å; T426-E429 PolarHBondContact O-N 3.21Å; T426-E429 VanDerWaalsContact O-N 3.17Å; T426-E429 WeakPolarHBondContact OG1-CB 3.33Å; T426-E429 WeakPolarHBondContact OG1-CG 3.4Å; T426-E429 PolarHBondContact OG1-N 3.35Å; T426-E429 PolarHBondContact OG1-OE2 3.13Å; T426-K430 PolarHBondContact O-N 3.28Å
427	A	91.7	Very high	92.1	Very high	65 Å²	65	51.8 Å²	51.8	54%	0.537	28%	0.279	S	S	.	.	H	α-helix	trans	-58	-39.5	175.6	0	0	0	0	0	112.9	P418 K430 R431	P418-A427 HydrophobicContact CB-CB 4.11Å; P418-A427 HydrophobicContact CG-CB 4.01Å; A427-K430 PolarHBondContact O-N 2.93Å; A427-R431 PolarHBondContact O-N 3.08Å
428	I	91.1	Very high	92.2	Very high	63 Å²	63	51.3 Å²	51.3	32%	0.323	28%	0.28	S	S	.	.	H	α-helix	trans	-65.8	-44	176.7	-61.5	171.3	0	0	0	110.4	I212 T426 R431 H432	I212-I428 HydrophobicContact CD1-CG1 4.5Å; T426-I428 VanDerWaalsContact C-N 3.28Å; T426-I428 PolarHBondContact O-N 3.42Å; I428-R431 PolarHBondContact O-N 3.17Å; I428-H432 PolarHBondContact O-N 3.31Å
429	E	93.8	Very high	92.5	Very high	26 Å²	26	52.6 Å²	52.6	12%	0.121	28%	0.282	C	S	.	.	H	α-helix	trans	-65.1	-40.3	178.4	-74.2	164.3	156.4	0	0	111.9	I425 T426 R431 H432 L433 T492 K495 L496	I425-E429 HydrophobicContact CB-CB 4.33Å; T426-E429 WeakPolarHBondContact CB-OE2 3.4Å; T426-E429 WeakPolarHBondContact CG2-OE2 3.03Å; T426-E429 PolarHBondContact N-OE2 3.31Å; T426-E429 PolarHBondContact O-N 3.21Å; T426-E429 VanDerWaalsContact O-N 3.17Å; T426-E429 WeakPolarHBondContact OG1-CB 3.33Å; T426-E429 WeakPolarHBondContact OG1-CG 3.4Å; T426-E429 PolarHBondContact OG1-N 3.35Å; T426-E429 PolarHBondContact OG1-OE2 3.13Å; E429-R431 VanDerWaalsContact C-N 3.34Å; E429-R431 PolarHBondContact O-N 3.31Å; E429-H432 PolarHBondContact O-N 3.04Å; E429-L433 WeakPolarHBondContact O-CB 3.5Å; E429-L433 PolarHBondContact O-N 2.78Å; E429-T492 HydrophobicContact CB-CG2 3.99Å; E429-T492 HydrophobicContact CG-CG2 4.07Å; E429-K495 IonicContact OE1-NZ 2.77Å; E429-K495 PolarHBondContact OE1-NZ 3.12Å; E429-L496 HydrophobicContact CB-CD1 4.43Å; E429-L496 HydrophobicContact CG-CD2 4.45Å
430	K	94.1	Very high	92.8	Very high	24 Å²	24	46 Å²	46	10%	0.104	25%	0.246	C	C	.	.	H	α-helix	trans	-58.3	-47.6	173.1	-172.3	-178.3	-175.5	178.9	0	111.4	M416 P418 I425 T426 A427 H432 L433 F434	M416-K430 WeakPolarHBondContact O-CD 3.43Å; M416-K430 WeakPolarHBondContact O-CE 3.42Å; P418-K430 HydrophobicContact CG-CD 4.08Å; I425-K430 HydrophobicContact CD1-CB 3.63Å; I425-K430 HydrophobicContact CD1-CG 3.97Å; I425-K430 HydrophobicContact CG1-CB 4.4Å; T426-K430 PolarHBondContact O-N 3.28Å; A427-K430 PolarHBondContact O-N 2.93Å; K430-H432 PolarHBondContact O-N 3.09Å; K430-L433 PolarHBondContact O-N 3.09Å; K430-F434 HydrophobicContact CG-CD2 3.85Å; K430-F434 HydrophobicContact CG-CE2 4.33Å; K430-F434 PolarHBondContact O-N 3.09Å
431	R	92.9	Very high	93.1	Very high	127 Å²	127	45.1 Å²	45.1	48%	0.479	24%	0.238	S	C	.	.	H	α-helix	trans	-62.4	-43	179.4	-167.4	179.9	178.6	135.3	0.8	111.7	L209 A427 I428 E429 S435	L209-R431 HydrophobicContact CD2-CG 3.79Å; A427-R431 PolarHBondContact O-N 3.08Å; I428-R431 PolarHBondContact O-N 3.17Å; E429-R431 VanDerWaalsContact C-N 3.34Å; E429-R431 PolarHBondContact O-N 3.31Å; R431-S435 VanDerWaalsContact O-CA 3.27Å; R431-S435 WeakPolarHBondContact O-CA 3.29Å; R431-S435 PolarHBondContact O-N 2.98Å
432	H	92.7	Very high	93.5	Very high	10 Å²	10	39.4 Å²	39.4	5%	0.046	21%	0.214	C	C	.	.	H	α-helix	trans	-68.6	-36.3	176	-71.2	158	0	0	0	113.3	L209 I428 E429 K430 Q489 T492	L209-H432 VanDerWaalsContact CD2-CD2 3.43Å; L209-H432 WeakPolarHBondContact CD2-CD2 3.39Å; I428-H432 PolarHBondContact O-N 3.31Å; E429-H432 PolarHBondContact O-N 3.04Å; K430-H432 PolarHBondContact O-N 3.09Å; H432-Q489 WeakPolarHBondContact O-CA 3.39Å; H432-Q489 WeakPolarHBondContact O-CG 3.42Å; H432-Q489 PolarHBondContact O-N 3.12Å; H432-T492 HydrophobicContact CB-CG2 4.12Å; H432-T492 VanDerWaalsContact CB-OG1 3.23Å; H432-T492 WeakPolarHBondContact CB-OG1 3.34Å
433	L	94.3	Very high	93.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-73.4	-45.8	-176.2	-175.8	64.3	0	0	0	111.7	E429 K430 Q489 T492 L493 L496 F502 L520 L524	E429-L433 WeakPolarHBondContact O-CB 3.5Å; E429-L433 PolarHBondContact O-N 2.78Å; K430-L433 PolarHBondContact O-N 3.09Å; L433-Q489 WeakPolarHBondContact O-CG 3.36Å; L433-Q489 PolarHBondContact O-NE2 3.24Å; L433-T492 HydrophobicContact CB-CG2 4.39Å; L433-L493 HydrophobicContact CD1-CB 3.9Å; L433-L493 HydrophobicContact CD1-CD1 4.13Å; L433-L496 HydrophobicContact CD2-CD1 4.07Å; L433-F502 HydrophobicContact CD2-CE2 4.41Å; L433-F502 HydrophobicContact CD2-CZ 4.25Å; L433-L520 HydrophobicContact CD2-CD2 4.35Å; L433-L524 HydrophobicContact CD1-CD1 3.69Å; L433-L524 HydrophobicContact CG-CD1 4.3Å
434	F	95.5	Very high	94.1	Very high	1 Å²	1	34 Å²	34	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-98.6	-13.4	-174.5	-66.9	-71.5	0	0	0	113.9	L406 F410 Y411 K430 N436 I437 L520 L524	L406-F434 HydrophobicContact CD1-CD1 4.47Å; L406-F434 HydrophobicContact CD1-CE1 3.96Å; F410-F434 HydrophobicContact CB-CE1 4.27Å; F410-F434 HydrophobicContact CB-CZ 4.22Å; Y411-F434 HydrophobicContact CD2-CB 3.81Å; Y411-F434 HydrophobicContact CD2-CD1 4Å; Y411-F434 AromaticContact CD2-CD2 3.88Å; Y411-F434 HydrophobicContact CD2-CD2 3.88Å; Y411-F434 HydrophobicContact CD2-CE2 4.43Å; Y411-F434 AromaticContact CD2-CG 3.63Å; Y411-F434 HydrophobicContact CD2-CG 3.63Å; Y411-F434 HydrophobicContact CE2-CB 4Å; Y411-F434 HydrophobicContact CE2-CD2 4.44Å; Y411-F434 HydrophobicContact CE2-CG 4.26Å; K430-F434 HydrophobicContact CG-CD2 3.85Å; K430-F434 HydrophobicContact CG-CE2 4.33Å; K430-F434 PolarHBondContact O-N 3.09Å; F434-N436 PolarHBondContact O-N 2.97Å; F434-I437 HydrophobicContact CB-CG2 3.78Å; F434-I437 HydrophobicContact CD1-CG2 4.27Å; F434-I437 HydrophobicContact CG-CG2 4.43Å; F434-I437 WeakPolarHBondContact O-CB 3.45Å; F434-I437 WeakPolarHBondContact O-CG2 3.48Å; F434-I437 PolarHBondContact O-N 3.37Å; F434-L520 HydrophobicContact CE1-CD1 4.33Å; F434-L524 HydrophobicContact CD1-CD2 4.06Å; F434-L524 HydrophobicContact CE1-CD2 4.34Å
435	S	94	Very high	94.2	Very high	24 Å²	24	32.8 Å²	32.8	17%	0.168	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.2	-135.5	-178.4	-170.1	0	0	0	0	110.6	R431 N485	R431-S435 VanDerWaalsContact O-CA 3.27Å; R431-S435 WeakPolarHBondContact O-CA 3.29Å; R431-S435 PolarHBondContact O-N 2.98Å; S435-N485 PolarHBondContact OG-ND2 3.42Å
436	N	94.9	Very high	94.2	Very high	20 Å²	20	34.9 Å²	34.9	11%	0.107	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	35.8	173.2	68.6	-40	0	0	0	113.4	F434 S438 E439 I440 N478 Y482	F434-N436 PolarHBondContact O-N 2.97Å; N436-S438 PolarHBondContact O-N 2.65Å; N436-S438 VanDerWaalsContact O-N 3.11Å; N436-E439 HydrophobicContact CB-CB 4.31Å; N436-E439 HydrophobicContact CB-CG 4.2Å; N436-E439 WeakPolarHBondContact CB-OE2 3.42Å; N436-E439 PolarHBondContact ND2-OE2 3.21Å; N436-E439 WeakPolarHBondContact O-CB 3.4Å; N436-E439 PolarHBondContact O-N 3.28Å; N436-I440 PolarHBondContact O-N 2.68Å; N436-N478 PolarHBondContact ND2-O 2.98Å; N436-Y482 VanDerWaalsContact OD1-CA 3.27Å; N436-Y482 WeakPolarHBondContact OD1-CA 3.23Å; N436-Y482 WeakPolarHBondContact OD1-CB 3.42Å; N436-Y482 PolarHBondContact OD1-N 2.91Å
437	I	95.7	Very high	94.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-55.6	-32.4	-177.6	-167.1	63.3	0	0	0	113.5	L403 L406 I407 Y411 F434 E439 I440 F441 Y482 P527	L403-I437 HydrophobicContact CD2-CD1 3.97Å; L406-I437 HydrophobicContact CD2-CD1 3.78Å; L406-I437 HydrophobicContact CD2-CG1 3.68Å; L406-I437 HydrophobicContact CG-CG1 4.43Å; I407-I437 HydrophobicContact CD1-CG1 4.18Å; I407-I437 HydrophobicContact CD1-CG2 3.87Å; Y411-I437 HydrophobicContact CD2-CG2 3.94Å; Y411-I437 HydrophobicContact CE2-CG2 4.23Å; F434-I437 HydrophobicContact CB-CG2 3.78Å; F434-I437 HydrophobicContact CD1-CG2 4.27Å; F434-I437 HydrophobicContact CG-CG2 4.43Å; F434-I437 WeakPolarHBondContact O-CB 3.45Å; F434-I437 WeakPolarHBondContact O-CG2 3.48Å; F434-I437 PolarHBondContact O-N 3.37Å; I437-E439 VanDerWaalsContact C-N 3.31Å; I437-E439 PolarHBondContact O-N 3.26Å; I437-I440 HydrophobicContact CD1-CB 4.3Å; I437-I440 HydrophobicContact CD1-CG2 4.48Å; I437-I440 WeakPolarHBondContact O-CB 3.43Å; I437-I440 PolarHBondContact O-N 3.04Å; I437-F441 PolarHBondContact O-N 3.32Å; I437-Y482 HydrophobicContact CB-CE2 3.98Å; I437-Y482 HydrophobicContact CD1-CD2 4.43Å; I437-Y482 HydrophobicContact CD1-CE2 3.7Å; I437-Y482 HydrophobicContact CG1-CE2 4.4Å; I437-P527 HydrophobicContact CD1-CG 3.71Å
438	S	94.7	Very high	94.5	Very high	32 Å²	32	28.4 Å²	28.4	22%	0.224	14%	0.138	C	C	.	.	H	α-helix	trans	-61.9	-40.6	176.6	-54.6	0	0	0	0	111.4	N436 I440 F441 F442	N436-S438 PolarHBondContact O-N 2.65Å; N436-S438 VanDerWaalsContact O-N 3.11Å; S438-I440 VanDerWaalsContact C-N 3.35Å; S438-F441 WeakPolarHBondContact O-CB 3.43Å; S438-F441 PolarHBondContact O-N 3.02Å; S438-F442 WeakPolarHBondContact O-CD2 3.1Å; S438-F442 PolarHBondContact O-N 3.49Å
439	E	95.5	Very high	94.6	Very high	81 Å²	81	27.8 Å²	27.8	38%	0.379	13%	0.131	S	C	.	.	H	α-helix	trans	-65.8	-38.7	175.4	-62.2	175.8	-176.6	0	0	111.3	N436 I437 F442 T443 N478 K481	N436-E439 HydrophobicContact CB-CB 4.31Å; N436-E439 HydrophobicContact CB-CG 4.2Å; N436-E439 WeakPolarHBondContact CB-OE2 3.42Å; N436-E439 PolarHBondContact ND2-OE2 3.21Å; N436-E439 WeakPolarHBondContact O-CB 3.4Å; N436-E439 PolarHBondContact O-N 3.28Å; I437-E439 VanDerWaalsContact C-N 3.31Å; I437-E439 PolarHBondContact O-N 3.26Å; E439-F442 PolarHBondContact O-N 3.22Å; E439-T443 WeakPolarHBondContact O-CB 3.47Å; E439-T443 PolarHBondContact O-N 3.14Å; E439-T443 PolarHBondContact O-OG1 2.97Å; E439-N478 HydrophobicContact CB-CB 4.34Å; E439-N478 PolarHBondContact OE2-OD1 3.18Å; E439-K481 IonicContact OE2-NZ 3.83Å
440	I	96.1	Very high	94.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.7	-43.4	174.3	-60.2	-61.2	0	0	0	111.1	Y399 L403 N436 I437 S438 T443 S444 N478 Y479 Y482 P527	Y399-I440 VanDerWaalsContact OH-CG2 3.23Å; Y399-I440 WeakPolarHBondContact OH-CG2 3.41Å; L403-I440 HydrophobicContact CD1-CG2 4.07Å; N436-I440 PolarHBondContact O-N 2.68Å; I437-I440 HydrophobicContact CD1-CB 4.3Å; I437-I440 HydrophobicContact CD1-CG2 4.48Å; I437-I440 WeakPolarHBondContact O-CB 3.43Å; I437-I440 PolarHBondContact O-N 3.04Å; S438-I440 VanDerWaalsContact C-N 3.35Å; I440-T443 WeakPolarHBondContact O-CB 3.32Å; I440-T443 PolarHBondContact O-N 2.76Å; I440-S444 WeakPolarHBondContact O-CB 3.48Å; I440-S444 PolarHBondContact O-N 3.13Å; I440-N478 VanDerWaalsContact CD1-C 3.41Å; I440-N478 HydrophobicContact CD1-CB 3.87Å; I440-N478 WeakPolarHBondContact CD1-O 3.46Å; I440-Y479 HydrophobicContact CD1-CD1 3.75Å; I440-Y479 HydrophobicContact CD1-CD2 4.22Å; I440-Y479 HydrophobicContact CD1-CE1 4.02Å; I440-Y479 HydrophobicContact CD1-CE2 4.46Å; I440-Y479 HydrophobicContact CD1-CG 3.84Å; I440-Y479 HydrophobicContact CG2-CD1 4.45Å; I440-Y479 HydrophobicContact CG2-CE1 3.74Å; I440-Y482 HydrophobicContact CG1-CD2 4.1Å; I440-Y482 HydrophobicContact CG1-CG 4.32Å; I440-P527 HydrophobicContact CG2-CB 4.15Å; I440-P527 HydrophobicContact CG2-CG 4.12Å
441	F	95.2	Very high	94.6	Very high	15 Å²	15	27.8 Å²	27.8	7%	0.066	13%	0.133	C	C	.	.	H	α-helix	trans	-59	-47.8	176.3	175.8	-101.6	0	0	0	111.5	Y400 L403 H404 I407 I437 S438 T443 S444 E445	Y400-F441 HydrophobicContact CD2-CD2 4.32Å; Y400-F441 AromaticContact CD2-CE2 3.91Å; Y400-F441 HydrophobicContact CD2-CE2 3.91Å; Y400-F441 AromaticContact CE2-CD2 4Å; Y400-F441 HydrophobicContact CE2-CD2 4Å; Y400-F441 HydrophobicContact CE2-CE1 4.35Å; Y400-F441 AromaticContact CE2-CE2 3.28Å; Y400-F441 HydrophobicContact CE2-CE2 3.28Å; Y400-F441 AromaticContact CE2-CZ 3.5Å; Y400-F441 HydrophobicContact CE2-CZ 3.5Å; Y400-F441 AromaticContact CZ-CE2 3.74Å; Y400-F441 AromaticContact CZ-CZ 3.7Å; Y400-F441 WeakPolarHBondContact OH-CZ 3.49Å; L403-F441 HydrophobicContact CB-CD2 3.9Å; H404-F441 HydrophobicContact CB-CE2 3.84Å; H404-F441 AromaticContact ND1-CE2 3.92Å; H404-F441 AromaticContact ND1-CZ 3.73Å; I407-F441 HydrophobicContact CD1-CB 4.3Å; I407-F441 HydrophobicContact CG1-CB 3.98Å; I407-F441 HydrophobicContact CG1-CD1 4.46Å; I407-F441 HydrophobicContact CG1-CD2 4.02Å; I407-F441 HydrophobicContact CG1-CG 3.88Å; I437-F441 PolarHBondContact O-N 3.32Å; S438-F441 WeakPolarHBondContact O-CB 3.43Å; S438-F441 PolarHBondContact O-N 3.02Å; F441-T443 VanDerWaalsContact C-N 3.33Å; F441-T443 PolarHBondContact O-N 2.89Å; F441-S444 PolarHBondContact O-N 2.93Å; F441-E445 WeakPolarHBondContact O-CB 3.34Å; F441-E445 PolarHBondContact O-N 3.29Å
442	F	95.2	Very high	94.5	Very high	99 Å²	99	22.4 Å²	22.4	43%	0.434	11%	0.114	S	C	.	.	H	α-helix	trans	-66.1	-34	175.6	-68.6	-58.3	0	0	0	113.3	S438 E439 E445 T446	S438-F442 WeakPolarHBondContact O-CD2 3.1Å; S438-F442 PolarHBondContact O-N 3.49Å; E439-F442 PolarHBondContact O-N 3.22Å; F442-E445 WeakPolarHBondContact CD1-OE2 3.46Å; F442-E445 PolarHBondContact O-N 3.26Å; F442-T446 WeakPolarHBondContact O-CB 3.45Å; F442-T446 PolarHBondContact O-N 2.67Å; F442-T446 PolarHBondContact O-OG1 3.4Å
443	T	95.5	Very high	94.4	Very high	8 Å²	8	24.1 Å²	24.1	5%	0.049	12%	0.123	C	C	.	.	H	α-helix	trans	-63.4	-47	175.3	-58.7	0	0	0	0	110.5	E439 I440 F441 T446 F447 H475 F476 N478 Y479	E439-T443 WeakPolarHBondContact O-CB 3.47Å; E439-T443 PolarHBondContact O-N 3.14Å; E439-T443 PolarHBondContact O-OG1 2.97Å; I440-T443 WeakPolarHBondContact O-CB 3.32Å; I440-T443 PolarHBondContact O-N 2.76Å; F441-T443 VanDerWaalsContact C-N 3.33Å; F441-T443 PolarHBondContact O-N 2.89Å; T443-T446 PolarHBondContact O-N 2.73Å; T443-F447 VanDerWaalsContact O-CB 3.32Å; T443-F447 WeakPolarHBondContact O-CB 3.4Å; T443-F447 PolarHBondContact O-N 3.44Å; T443-H475 HydrophobicContact CG2-CB 3.98Å; T443-F476 HydrophobicContact CG2-CD1 3.66Å; T443-F476 HydrophobicContact CG2-CE1 3.9Å; T443-N478 PolarHBondContact OG1-ND2 2.98Å; T443-Y479 HydrophobicContact CG2-CE2 4.1Å
444	S	94.8	Very high	94.3	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-63.9	-41.6	175.5	-179.9	0	0	0	0	112.2	E396 Y399 I440 F441 T446 F447 L448	E396-S444 WeakPolarHBondContact OE1-CA 3.42Å; E396-S444 VanDerWaalsContact OE1-CB 3.29Å; E396-S444 WeakPolarHBondContact OE1-CB 3.45Å; E396-S444 PolarHBondContact OE1-OG 3.02Å; Y399-S444 WeakPolarHBondContact CD1-OG 3.34Å; I440-S444 WeakPolarHBondContact O-CB 3.48Å; I440-S444 PolarHBondContact O-N 3.13Å; F441-S444 PolarHBondContact O-N 2.93Å; S444-T446 PolarHBondContact O-N 2.79Å; S444-F447 PolarHBondContact O-N 2.86Å; S444-L448 VanDerWaalsContact O-CB 3.32Å; S444-L448 WeakPolarHBondContact O-CB 3.45Å; S444-L448 PolarHBondContact O-N 3.32Å
445	E	94.4	Very high	94.1	Very high	12 Å²	12	26.1 Å²	26.1	6%	0.056	13%	0.131	C	C	.	.	H	α-helix	trans	-57.8	-49.5	175.1	-170	-176.7	-170.8	0	0	111.6	T343 Y400 F441 F442 L448 R449	T343-E445 WeakPolarHBondContact CG2-OE1 3.35Å; Y400-E445 HydrophobicContact CD2-CB 4.25Å; Y400-E445 HydrophobicContact CE2-CB 3.67Å; Y400-E445 HydrophobicContact CE2-CG 3.94Å; F441-E445 WeakPolarHBondContact O-CB 3.34Å; F441-E445 PolarHBondContact O-N 3.29Å; F442-E445 WeakPolarHBondContact CD1-OE2 3.46Å; F442-E445 PolarHBondContact O-N 3.26Å; E445-L448 PolarHBondContact O-N 3.47Å; E445-R449 VanDerWaalsContact O-CB 3.26Å; E445-R449 WeakPolarHBondContact O-CB 2.98Å; E445-R449 PolarHBondContact O-N 3.06Å
446	T	94.4	Very high	93.9	Very high	53 Å²	53	28.8 Å²	28.8	33%	0.325	14%	0.142	S	C	.	.	H	α-helix	trans	-66.8	-43.8	-177.7	-50.2	0	0	0	0	110.7	F442 T443 S444 R449 D450	F442-T446 WeakPolarHBondContact O-CB 3.45Å; F442-T446 PolarHBondContact O-N 2.67Å; F442-T446 PolarHBondContact O-OG1 3.4Å; T443-T446 PolarHBondContact O-N 2.73Å; S444-T446 PolarHBondContact O-N 2.79Å; T446-R449 PolarHBondContact O-N 2.92Å; T446-D450 PolarHBondContact O-N 3.46Å
447	F	96	Very high	93.7	Very high	1 Å²	1	35.1 Å²	35.1	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-45.9	177.8	180	-137.4	0	0	0	112.1	E396 T443 S444 D450 M451 I467 I468 H471 F476 L534	E396-F447 VanDerWaalsContact CD-CD1 3.42Å; E396-F447 HydrophobicContact CG-CD1 3.79Å; E396-F447 HydrophobicContact CG-CE1 4.14Å; E396-F447 WeakPolarHBondContact OE2-CD1 3.4Å; E396-F447 WeakPolarHBondContact OE2-CE1 2.97Å; T443-F447 VanDerWaalsContact O-CB 3.32Å; T443-F447 WeakPolarHBondContact O-CB 3.4Å; T443-F447 PolarHBondContact O-N 3.44Å; S444-F447 PolarHBondContact O-N 2.86Å; F447-D450 PolarHBondContact O-N 3.18Å; F447-M451 HydrophobicContact CD1-CE 3.7Å; F447-M451 HydrophobicContact CD2-CE 3.9Å; F447-M451 HydrophobicContact CD2-CG 4.38Å; F447-M451 HydrophobicContact CD2-SD 4.29Å; F447-M451 HydrophobicContact CE1-CE 3.5Å; F447-M451 HydrophobicContact CE1-SD 4.2Å; F447-M451 HydrophobicContact CE2-CE 3.72Å; F447-M451 HydrophobicContact CE2-CG 4.09Å; F447-M451 HydrophobicContact CE2-SD 3.65Å; F447-M451 HydrophobicContact CG-CE 3.88Å; F447-M451 HydrophobicContact CZ-CE 3.51Å; F447-M451 HydrophobicContact CZ-SD 3.59Å; F447-M451 VanDerWaalsContact CZ-SD 3.59Å; F447-M451 WeakPolarHBondContact O-CE 3.49Å; F447-M451 WeakPolarHBondContact O-CG 3.26Å; F447-M451 PolarHBondContact O-N 3.3Å; F447-I467 HydrophobicContact CD2-CG2 4.33Å; F447-I467 HydrophobicContact CE2-CG2 4.2Å; F447-I468 HydrophobicContact CE2-CG1 4.19Å; F447-I468 HydrophobicContact CZ-CG1 4.01Å; F447-H471 HydrophobicContact CD2-CB 3.93Å; F447-H471 AromaticContact CD2-CD2 3.76Å; F447-H471 AromaticContact CD2-CG 3.61Å; F447-H471 HydrophobicContact CE2-CB 4.37Å; F447-F476 HydrophobicContact CD1-CE1 4.37Å; F447-F476 AromaticContact CD1-CZ 3.93Å; F447-F476 HydrophobicContact CD1-CZ 3.93Å; F447-F476 HydrophobicContact CE1-CZ 4.05Å; F447-F476 HydrophobicContact CG-CE1 4.36Å; F447-F476 HydrophobicContact CG-CZ 4.22Å; F447-F476 HydrophobicContact CZ-CZ 4.42Å; F447-L534 HydrophobicContact CE1-CD2 4.46Å
448	L	94.6	Very high	93.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.2	-44.9	176.5	-177.8	58.6	0	0	0	111.9	V346 F349 V350 I393 E396 A397 Y400 S444 E445 D450 M451 E452	V346-L448 HydrophobicContact CG1-CD2 3.83Å; V346-L448 HydrophobicContact CG1-CG 4.31Å; F349-L448 HydrophobicContact CD1-CD1 4.5Å; F349-L448 HydrophobicContact CE1-CD1 4.2Å; V350-L448 HydrophobicContact CG2-CD2 3.4Å; I393-L448 HydrophobicContact CG2-CD1 4.28Å; E396-L448 HydrophobicContact CB-CD1 4.2Å; E396-L448 HydrophobicContact CG-CB 3.93Å; E396-L448 HydrophobicContact CG-CD1 4.15Å; A397-L448 HydrophobicContact CB-CD1 4.07Å; A397-L448 HydrophobicContact CB-CD2 4.15Å; Y400-L448 HydrophobicContact CD1-CD2 4.19Å; Y400-L448 HydrophobicContact CG-CD2 4.16Å; S444-L448 VanDerWaalsContact O-CB 3.32Å; S444-L448 WeakPolarHBondContact O-CB 3.45Å; S444-L448 PolarHBondContact O-N 3.32Å; E445-L448 PolarHBondContact O-N 3.47Å; L448-D450 VanDerWaalsContact C-N 3.34Å; L448-D450 PolarHBondContact O-N 3.11Å; L448-M451 PolarHBondContact O-N 2.99Å; L448-E452 WeakPolarHBondContact O-CB 3.46Å; L448-E452 PolarHBondContact O-N 3.46Å
449	R	93.1	Very high	93.4	Very high	50 Å²	50	37.3 Å²	37.3	19%	0.189	18%	0.182	C	C	.	.	H	α-helix	trans	-59.1	-44.2	179.7	178.7	-177.5	175.6	-121.2	2.3	111.9	P339 V346 E445 T446 E452 L453	P339-R449 PolarHBondContact O-NH2 2.91Å; V346-R449 HydrophobicContact CG2-CB 4.26Å; E445-R449 VanDerWaalsContact O-CB 3.26Å; E445-R449 WeakPolarHBondContact O-CB 2.98Å; E445-R449 PolarHBondContact O-N 3.06Å; T446-R449 PolarHBondContact O-N 2.92Å; R449-E452 PolarHBondContact O-N 3.43Å; R449-L453 HydrophobicContact CG-CD1 4.1Å; R449-L453 HydrophobicContact CG-CG 4.46Å; R449-L453 WeakPolarHBondContact O-CB 3.41Å; R449-L453 VanDerWaalsContact O-CG 3.29Å; R449-L453 WeakPolarHBondContact O-CG 3.46Å; R449-L453 PolarHBondContact O-N 3.4Å
450	D	93.9	Very high	93.2	Very high	51 Å²	51	36 Å²	36	27%	0.273	18%	0.177	S	C	.	.	H	α-helix	trans	-66.5	-40	-179.5	-69.7	-16.7	0	0	0	111.3	T446 F447 L448 Y454 I467 H471	T446-D450 PolarHBondContact O-N 3.46Å; F447-D450 PolarHBondContact O-N 3.18Å; L448-D450 VanDerWaalsContact C-N 3.34Å; L448-D450 PolarHBondContact O-N 3.11Å; D450-Y454 WeakPolarHBondContact O-CB 3.45Å; D450-Y454 PolarHBondContact O-N 2.94Å; D450-Y454 VanDerWaalsContact O-N 3.07Å; D450-I467 HydrophobicContact CB-CG2 4.27Å; D450-H471 IonicContact OD2-CE1 4Å; D450-H471 PolarHBondContact OD2-CE1 3.34Å; D450-H471 IonicContact OD2-NE2 2.74Å; D450-H471 PolarHBondContact OD2-NE2 3.03Å
451	M	94.3	Very high	92.9	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-65.6	-42.2	173.7	-70	-171.8	-70.4	0	0	112.6	V392 I393 E396 F447 L448 Y454 F455 L464 I467	V392-M451 HydrophobicContact CG1-SD 4.09Å; I393-M451 HydrophobicContact CD1-CB 4.17Å; I393-M451 HydrophobicContact CG1-CB 4.1Å; I393-M451 HydrophobicContact CG1-SD 4.08Å; E396-M451 HydrophobicContact CB-CE 3.63Å; E396-M451 HydrophobicContact CG-CE 3.62Å; F447-M451 HydrophobicContact CD1-CE 3.7Å; F447-M451 HydrophobicContact CD2-CE 3.9Å; F447-M451 HydrophobicContact CD2-CG 4.38Å; F447-M451 HydrophobicContact CD2-SD 4.29Å; F447-M451 HydrophobicContact CE1-CE 3.5Å; F447-M451 HydrophobicContact CE1-SD 4.2Å; F447-M451 HydrophobicContact CE2-CE 3.72Å; F447-M451 HydrophobicContact CE2-CG 4.09Å; F447-M451 HydrophobicContact CE2-SD 3.65Å; F447-M451 HydrophobicContact CG-CE 3.88Å; F447-M451 HydrophobicContact CZ-CE 3.51Å; F447-M451 HydrophobicContact CZ-SD 3.59Å; F447-M451 VanDerWaalsContact CZ-SD 3.59Å; F447-M451 WeakPolarHBondContact O-CE 3.49Å; F447-M451 WeakPolarHBondContact O-CG 3.26Å; F447-M451 PolarHBondContact O-N 3.3Å; L448-M451 PolarHBondContact O-N 2.99Å; M451-Y454 PolarHBondContact O-N 2.82Å; M451-F455 WeakPolarHBondContact O-CB 3.27Å; M451-F455 PolarHBondContact O-N 3.03Å; M451-L464 HydrophobicContact CB-CD1 4.44Å; M451-L464 HydrophobicContact CG-CD1 3.73Å; M451-L464 HydrophobicContact SD-CD1 3.74Å; M451-I467 HydrophobicContact CG-CG2 4.06Å
452	E	90.4	Very high	92.6	Very high	13 Å²	13	37.5 Å²	37.5	6%	0.061	19%	0.188	C	C	.	.	H	α-helix	trans	-60	-50.9	176.1	177.6	-169.8	166	0	0	110.9	F349 L448 R449 Y454 F455 I456	F349-E452 VanDerWaalsContact CB-CD 3.46Å; F349-E452 HydrophobicContact CB-CG 4.23Å; F349-E452 WeakPolarHBondContact CB-OE1 3.14Å; F349-E452 HydrophobicContact CD1-CB 3.94Å; F349-E452 HydrophobicContact CD1-CG 3.67Å; F349-E452 HydrophobicContact CD2-CG 3.76Å; F349-E452 HydrophobicContact CE1-CB 3.84Å; F349-E452 HydrophobicContact CE1-CG 3.87Å; F349-E452 HydrophobicContact CE2-CG 3.95Å; F349-E452 HydrophobicContact CG-CB 4.39Å; F349-E452 VanDerWaalsContact CG-CD 3.41Å; F349-E452 HydrophobicContact CG-CG 3.61Å; F349-E452 HydrophobicContact CZ-CB 4.2Å; F349-E452 HydrophobicContact CZ-CG 3.99Å; L448-E452 WeakPolarHBondContact O-CB 3.46Å; L448-E452 PolarHBondContact O-N 3.46Å; R449-E452 PolarHBondContact O-N 3.43Å; E452-Y454 PolarHBondContact O-N 3.06Å; E452-F455 PolarHBondContact O-N 3.35Å; E452-F455 VanDerWaalsContact O-N 3.16Å; E452-I456 HydrophobicContact CG-CD1 3.9Å; E452-I456 WeakPolarHBondContact O-CG1 3.23Å; E452-I456 PolarHBondContact O-N 3.47Å
453	L	90.8	Very high	92.4	Very high	47 Å²	47	37.8 Å²	37.8	25%	0.246	19%	0.191	C	C	.	.	H	α-helix	trans	-59.8	-37	179	-73.1	175	0	0	0	111.7	R449 Q457	R449-L453 HydrophobicContact CG-CD1 4.1Å; R449-L453 HydrophobicContact CG-CG 4.46Å; R449-L453 WeakPolarHBondContact O-CB 3.41Å; R449-L453 VanDerWaalsContact O-CG 3.29Å; R449-L453 WeakPolarHBondContact O-CG 3.46Å; R449-L453 PolarHBondContact O-N 3.4Å; L453-Q457 VanDerWaalsContact O-CG 3.28Å; L453-Q457 WeakPolarHBondContact O-CG 3.5Å; L453-Q457 PolarHBondContact O-N 2.95Å; L453-Q457 PolarHBondContact O-NE2 2.62Å
454	Y	92	Very high	92.4	Very high	43 Å²	43	37.4 Å²	37.4	17%	0.169	19%	0.189	C	C	.	.	H	α-helix	trans	-70.9	-41.5	176.2	-171.6	-118.1	0	0	0	112.3	D450 M451 E452 I456 Q457 N458 I461 P462 Q463 I467	D450-Y454 WeakPolarHBondContact O-CB 3.45Å; D450-Y454 PolarHBondContact O-N 2.94Å; D450-Y454 VanDerWaalsContact O-N 3.07Å; M451-Y454 PolarHBondContact O-N 2.82Å; E452-Y454 PolarHBondContact O-N 3.06Å; Y454-I456 PolarHBondContact O-N 3.1Å; Y454-Q457 PolarHBondContact O-N 2.95Å; Y454-N458 PolarHBondContact O-N 3.31Å; Y454-I461 HydrophobicContact CD1-CB 4.46Å; Y454-I461 HydrophobicContact CD1-CG2 3.44Å; Y454-I461 VanDerWaalsContact CD1-CG2 3.44Å; Y454-I461 HydrophobicContact CE1-CB 4.28Å; Y454-I461 HydrophobicContact CE1-CG2 3.61Å; Y454-P462 WeakPolarHBondContact OH-CD 3.09Å; Y454-P462 WeakPolarHBondContact OH-CG 3.32Å; Y454-Q463 HydrophobicContact CE1-CB 4.46Å; Y454-Q463 WeakPolarHBondContact OH-CB 3.46Å; Y454-Q463 PolarHBondContact OH-N 2.98Å; Y454-I467 HydrophobicContact CD1-CD1 3.79Å; Y454-I467 HydrophobicContact CG-CD1 3.83Å
455	F	91.6	Very high	92.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.9	-42.6	176.1	177.1	-108.6	0	0	0	112.3	F349 M366 V369 F390 I393 M451 E452 Q457 N458 P459 I461	F349-F455 HydrophobicContact CE2-CD1 4.39Å; M366-F455 HydrophobicContact CB-CZ 3.96Å; M366-F455 HydrophobicContact CG-CE1 4.33Å; M366-F455 HydrophobicContact CG-CZ 3.82Å; M366-F455 HydrophobicContact SD-CE1 4.19Å; M366-F455 HydrophobicContact SD-CZ 4.27Å; V369-F455 HydrophobicContact CG2-CZ 4.37Å; F390-F455 HydrophobicContact CD2-CD2 4.25Å; F390-F455 AromaticContact CD2-CE2 3.95Å; F390-F455 HydrophobicContact CD2-CE2 3.95Å; F390-F455 HydrophobicContact CD2-CZ 4.36Å; F390-F455 HydrophobicContact CE2-CD1 4.45Å; F390-F455 HydrophobicContact CE2-CD2 4.16Å; F390-F455 HydrophobicContact CE2-CE1 4.1Å; F390-F455 AromaticContact CE2-CE2 3.79Å; F390-F455 HydrophobicContact CE2-CE2 3.79Å; F390-F455 HydrophobicContact CE2-CG 4.47Å; F390-F455 AromaticContact CE2-CZ 3.75Å; F390-F455 HydrophobicContact CE2-CZ 3.75Å; F390-F455 HydrophobicContact CZ-CZ 4.44Å; I393-F455 HydrophobicContact CD1-CB 4.13Å; M451-F455 WeakPolarHBondContact O-CB 3.27Å; M451-F455 PolarHBondContact O-N 3.03Å; E452-F455 PolarHBondContact O-N 3.35Å; E452-F455 VanDerWaalsContact O-N 3.16Å; F455-Q457 PolarHBondContact O-N 3.25Å; F455-N458 CarbonylContact O-C 3.54Å; F455-N458 VanDerWaalsContact O-C 3.26Å; F455-N458 PolarHBondContact O-N 3.14Å; F455-P459 HydrophobicContact CD2-CB 4.43Å; F455-P459 HydrophobicContact CE2-CB 3.96Å; F455-P459 HydrophobicContact CZ-CB 4.45Å; F455-I461 HydrophobicContact CD2-CD1 3.5Å; F455-I461 VanDerWaalsContact CD2-CD1 3.5Å; F455-I461 HydrophobicContact CD2-CG1 3.89Å; F455-I461 HydrophobicContact CE2-CD1 4.15Å; F455-I461 HydrophobicContact CG-CD1 4.43Å
456	I	89.2	Confident	92.5	Very high	80 Å²	80	39.3 Å²	39.3	41%	0.41	20%	0.198	S	C	.	.	H	α-helix	trans	-60.4	-36.8	176.2	-68.6	167.4	0	0	0	111.1	E452 Y454	E452-I456 HydrophobicContact CG-CD1 3.9Å; E452-I456 WeakPolarHBondContact O-CG1 3.23Å; E452-I456 PolarHBondContact O-N 3.47Å; Y454-I456 PolarHBondContact O-N 3.1Å
457	Q	89.9	Confident	92.6	Very high	152 Å²	152	37.9 Å²	37.9	71%	0.71	19%	0.188	S	C	*	.	H	α-helix	trans	-77.1	-41.6	178.6	-70.6	170.6	34.1	0	0	112.7	L453 Y454 F455	L453-Q457 VanDerWaalsContact O-CG 3.28Å; L453-Q457 WeakPolarHBondContact O-CG 3.5Å; L453-Q457 PolarHBondContact O-N 2.95Å; L453-Q457 PolarHBondContact O-NE2 2.62Å; Y454-Q457 PolarHBondContact O-N 2.95Å; F455-Q457 PolarHBondContact O-N 3.25Å
458	N	92.1	Very high	92.7	Very high	57 Å²	57	37.9 Å²	37.9	31%	0.305	19%	0.188	S	C	.	.			trans	-143	100	-178.7	-173.6	-13.8	0	0	0	110.8	Y454 F455 L460 I461	Y454-N458 PolarHBondContact O-N 3.31Å; F455-N458 CarbonylContact O-C 3.54Å; F455-N458 VanDerWaalsContact O-C 3.26Å; F455-N458 PolarHBondContact O-N 3.14Å; N458-L460 PolarHBondContact O-N 3.4Å; N458-L460 WeakPolarHBondContact OD1-CB 3.34Å; N458-L460 PolarHBondContact OD1-N 2.84Å; N458-I461 PolarHBondContact O-N 2.54Å
459	P	92.1	Very high	92.8	Very high	22 Å²	22	38.3 Å²	38.3	14%	0.143	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-12.8	-179.3	-24.8	34.4	0	0	0	115.2	W363 Q368 V369 L374 F455 I461	W363-P459 PolarHBondContact NE1-O 2.93Å; Q368-P459 HydrophobicContact CB-CG 4.11Å; V369-P459 HydrophobicContact CG2-CB 3.93Å; L374-P459 HydrophobicContact CD1-CB 3.8Å; L374-P459 HydrophobicContact CD1-CG 4.21Å; F455-P459 HydrophobicContact CD2-CB 4.43Å; F455-P459 HydrophobicContact CE2-CB 3.96Å; F455-P459 HydrophobicContact CZ-CB 4.45Å; P459-I461 WeakPolarHBondContact O-CG1 3.41Å
460	L	90.7	Very high	92.9	Very high	52 Å²	52	41.2 Å²	41.2	27%	0.272	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-8.7	175.7	-65.8	173.7	0	0	0	114.1	W363 L374 L378 Q386 N458 P462	W363-L460 HydrophobicContact CH2-CD2 4.31Å; W363-L460 HydrophobicContact CZ2-CD2 3.84Å; L374-L460 HydrophobicContact CD1-CG 4.43Å; L378-L460 HydrophobicContact CD1-CD2 4.5Å; Q386-L460 HydrophobicContact CG-CD2 4.42Å; Q386-L460 PolarHBondContact NE2-O 2.94Å; Q386-L460 VanDerWaalsContact NE2-O 3.08Å; Q386-L460 PolarHBondContact OE1-O 3.26Å; N458-L460 PolarHBondContact O-N 3.4Å; N458-L460 WeakPolarHBondContact OD1-CB 3.34Å; N458-L460 PolarHBondContact OD1-N 2.84Å; L460-P462 VanDerWaalsContact C-CD 3.4Å; L460-P462 VanDerWaalsContact O-N 3.09Å
461	I	91	Very high	93.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.			trans	46.2	43	169.3	-21.2	-176.9	0	0	0	115.6	F390 I393 Y454 F455 N458 P459 Q463 L464	F390-I461 HydrophobicContact CD2-CD1 4.14Å; I393-I461 HydrophobicContact CD1-CD1 3.57Å; I393-I461 HydrophobicContact CD1-CG2 4.45Å; Y454-I461 HydrophobicContact CD1-CB 4.46Å; Y454-I461 HydrophobicContact CD1-CG2 3.44Å; Y454-I461 VanDerWaalsContact CD1-CG2 3.44Å; Y454-I461 HydrophobicContact CE1-CB 4.28Å; Y454-I461 HydrophobicContact CE1-CG2 3.61Å; F455-I461 HydrophobicContact CD2-CD1 3.5Å; F455-I461 VanDerWaalsContact CD2-CD1 3.5Å; F455-I461 HydrophobicContact CD2-CG1 3.89Å; F455-I461 HydrophobicContact CE2-CD1 4.15Å; F455-I461 HydrophobicContact CG-CD1 4.43Å; N458-I461 PolarHBondContact O-N 2.54Å; P459-I461 WeakPolarHBondContact O-CG1 3.41Å; I461-Q463 VanDerWaalsContact C-N 3.26Å; I461-Q463 PolarHBondContact O-N 3.38Å; I461-Q463 VanDerWaalsContact O-N 3.12Å; I461-L464 HydrophobicContact CB-CB 4.45Å; I461-L464 HydrophobicContact CG2-CB 3.71Å; I461-L464 HydrophobicContact CG2-CD1 3.9Å; I461-L464 HydrophobicContact CG2-CD2 4.23Å; I461-L464 HydrophobicContact CG2-CG 4.15Å; I461-L464 PolarHBondContact O-N 2.79Å; I461-L464 VanDerWaalsContact O-N 3.17Å
462	P	88.7	Confident	93.2	Very high	47 Å²	47	39.2 Å²	39.2	31%	0.305	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-26.1	-167	26	-35.4	0	0	0	114.4	Y454 L460 T551	Y454-P462 WeakPolarHBondContact OH-CD 3.09Å; Y454-P462 WeakPolarHBondContact OH-CG 3.32Å; L460-P462 VanDerWaalsContact C-CD 3.4Å; L460-P462 VanDerWaalsContact O-N 3.09Å; P462-T551 PolarHBondContact O-OG1 2.94Å; P462-T551 VanDerWaalsContact O-OG1 3.08Å
463	Q	90.3	Very high	93.4	Very high	106 Å²	106	41 Å²	41	50%	0.495	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	22.5	-179.2	-56.7	-177.8	18.6	0	0	113.5	Y454 I461 C465 E466 I467	Y454-Q463 HydrophobicContact CE1-CB 4.46Å; Y454-Q463 WeakPolarHBondContact OH-CB 3.46Å; Y454-Q463 PolarHBondContact OH-N 2.98Å; I461-Q463 VanDerWaalsContact C-N 3.26Å; I461-Q463 PolarHBondContact O-N 3.38Å; I461-Q463 VanDerWaalsContact O-N 3.12Å; Q463-C465 PolarHBondContact O-N 3.07Å; Q463-C465 VanDerWaalsContact O-N 3.14Å; Q463-E466 HydrophobicContact CB-CB 4.47Å; Q463-E466 HydrophobicContact CB-CG 4.42Å; Q463-E466 WeakPolarHBondContact O-CB 3.43Å; Q463-E466 PolarHBondContact O-N 3.41Å; Q463-I467 PolarHBondContact O-N 3.29Å
464	L	95.2	Very high	93.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-52.4	-38.5	177.5	-173.2	56.9	0	0	0	112.7	L389 V392 I393 M451 I461 E466 I467 I468	L389-L464 HydrophobicContact CB-CD2 4Å; L389-L464 HydrophobicContact CD2-CB 3.98Å; L389-L464 HydrophobicContact CD2-CD2 3.89Å; L389-L464 WeakPolarHBondContact O-CD2 3.17Å; V392-L464 HydrophobicContact CB-CD2 4.03Å; V392-L464 HydrophobicContact CG2-CD2 4.24Å; I393-L464 HydrophobicContact CG1-CD1 4.43Å; M451-L464 HydrophobicContact CB-CD1 4.44Å; M451-L464 HydrophobicContact CG-CD1 3.73Å; M451-L464 HydrophobicContact SD-CD1 3.74Å; I461-L464 HydrophobicContact CB-CB 4.45Å; I461-L464 HydrophobicContact CG2-CB 3.71Å; I461-L464 HydrophobicContact CG2-CD1 3.9Å; I461-L464 HydrophobicContact CG2-CD2 4.23Å; I461-L464 HydrophobicContact CG2-CG 4.15Å; I461-L464 PolarHBondContact O-N 2.79Å; I461-L464 VanDerWaalsContact O-N 3.17Å; L464-E466 VanDerWaalsContact C-N 3.27Å; L464-E466 PolarHBondContact O-N 2.66Å; L464-I467 WeakPolarHBondContact O-CB 3.46Å; L464-I467 PolarHBondContact O-N 2.75Å; L464-I467 VanDerWaalsContact O-N 3.15Å; L464-I468 HydrophobicContact CG-CD1 4.31Å; L464-I468 WeakPolarHBondContact O-CG1 3.36Å; L464-I468 PolarHBondContact O-N 3.16Å; L464-I468 VanDerWaalsContact O-N 3.07Å
465	C	96.8	Very high	93.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-64.3	-28.9	179.5	-61.8	0	0	0	0	113.2	Q463 I468 Y469 S554 A558	Q463-C465 PolarHBondContact O-N 3.07Å; Q463-C465 VanDerWaalsContact O-N 3.14Å; C465-I468 PolarHBondContact O-N 3.19Å; C465-Y469 WeakPolarHBondContact O-CB 3.34Å; C465-Y469 PolarHBondContact O-N 3.15Å; C465-S554 WeakPolarHBondContact CB-OG 3.46Å; C465-A558 HydrophobicContact CB-CB 4.33Å
466	E	96	Very high	93.9	Very high	52 Å²	52	45.2 Å²	45.2	24%	0.243	23%	0.226	C	C	.	.	H	α-helix	trans	-69.2	-39	173.4	-68.4	-64.5	145.4	0	0	111.2	Q463 L464 I468 Y469 E470 S554 R876	Q463-E466 HydrophobicContact CB-CB 4.47Å; Q463-E466 HydrophobicContact CB-CG 4.42Å; Q463-E466 WeakPolarHBondContact O-CB 3.43Å; Q463-E466 PolarHBondContact O-N 3.41Å; L464-E466 VanDerWaalsContact C-N 3.27Å; L464-E466 PolarHBondContact O-N 2.66Å; E466-I468 VanDerWaalsContact C-N 3.33Å; E466-I468 PolarHBondContact O-N 2.65Å; E466-Y469 PolarHBondContact O-N 3.27Å; E466-E470 WeakPolarHBondContact O-CB 3.38Å; E466-E470 PolarHBondContact O-N 2.91Å; E466-S554 WeakPolarHBondContact OE1-CB 3.31Å; E466-R876 IonicContact OE2-CZ 3.99Å; E466-R876 IonicContact OE2-NE 3.99Å; E466-R876 IonicContact OE2-NH2 3.08Å; E466-R876 PolarHBondContact OE2-NH2 2.93Å; E466-R876 VanDerWaalsContact OE2-NH2 3.08Å
467	I	96	Very high	94.2	Very high	23 Å²	23	45 Å²	45	12%	0.118	22%	0.224	C	C	.	.	H	α-helix	trans	-61.2	-45.3	174	-56.7	175.7	0	0	0	109.8	F447 D450 M451 Y454 Q463 L464 Y469 E470 H471	F447-I467 HydrophobicContact CD2-CG2 4.33Å; F447-I467 HydrophobicContact CE2-CG2 4.2Å; D450-I467 HydrophobicContact CB-CG2 4.27Å; M451-I467 HydrophobicContact CG-CG2 4.06Å; Y454-I467 HydrophobicContact CD1-CD1 3.79Å; Y454-I467 HydrophobicContact CG-CD1 3.83Å; Q463-I467 PolarHBondContact O-N 3.29Å; L464-I467 WeakPolarHBondContact O-CB 3.46Å; L464-I467 PolarHBondContact O-N 2.75Å; L464-I467 VanDerWaalsContact O-N 3.15Å; I467-Y469 VanDerWaalsContact C-N 3.34Å; I467-Y469 PolarHBondContact O-N 2.89Å; I467-E470 PolarHBondContact O-N 3.23Å; I467-H471 WeakPolarHBondContact O-CB 3.11Å; I467-H471 PolarHBondContact O-CD2 3.37Å; I467-H471 VanDerWaalsContact O-CD2 3.29Å; I467-H471 PolarHBondContact O-N 3.08Å
468	I	97.2	Very high	94.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-59.9	-45.9	177.1	-61.7	169.2	0	0	0	110.7	V392 F447 L464 C465 E466 T472 L538 A558 I562	V392-I468 HydrophobicContact CG1-CD1 4.08Å; F447-I468 HydrophobicContact CE2-CG1 4.19Å; F447-I468 HydrophobicContact CZ-CG1 4.01Å; L464-I468 HydrophobicContact CG-CD1 4.31Å; L464-I468 WeakPolarHBondContact O-CG1 3.36Å; L464-I468 PolarHBondContact O-N 3.16Å; L464-I468 VanDerWaalsContact O-N 3.07Å; C465-I468 PolarHBondContact O-N 3.19Å; E466-I468 VanDerWaalsContact C-N 3.33Å; E466-I468 PolarHBondContact O-N 2.65Å; I468-T472 VanDerWaalsContact O-CB 3.32Å; I468-T472 WeakPolarHBondContact O-CB 3.48Å; I468-T472 PolarHBondContact O-N 2.7Å; I468-T472 PolarHBondContact O-OG1 3.06Å; I468-L538 HydrophobicContact CD1-CD2 3.87Å; I468-L538 HydrophobicContact CD1-CG 4.49Å; I468-L538 HydrophobicContact CG2-CD1 4.22Å; I468-A558 HydrophobicContact CB-CB 4.36Å; I468-A558 HydrophobicContact CG2-CB 4.2Å; I468-I562 HydrophobicContact CG2-CG1 4.45Å
469	Y	97.2	Very high	94.7	Very high	8 Å²	8	36.6 Å²	36.6	3%	0.031	18%	0.183	C	C	.	.	H	α-helix	trans	-60	-50.4	178.1	171.1	-109	0	0	0	112	C465 E466 I467 H471 T472 E473 V557 Y873 R876 K877 E880	C465-Y469 WeakPolarHBondContact O-CB 3.34Å; C465-Y469 PolarHBondContact O-N 3.15Å; E466-Y469 PolarHBondContact O-N 3.27Å; I467-Y469 VanDerWaalsContact C-N 3.34Å; I467-Y469 PolarHBondContact O-N 2.89Å; Y469-H471 VanDerWaalsContact C-N 3.35Å; Y469-H471 PolarHBondContact O-N 3.44Å; Y469-T472 PolarHBondContact O-N 2.86Å; Y469-E473 HydrophobicContact CD2-CG 4.09Å; Y469-E473 HydrophobicContact CE2-CG 3.62Å; Y469-E473 PolarHBondContact O-N 3.35Å; Y469-V557 HydrophobicContact CD2-CG1 3.51Å; Y469-V557 HydrophobicContact CE2-CG1 3.57Å; Y469-V557 HydrophobicContact CG-CG1 4.01Å; Y469-Y873 HydrophobicContact CE2-CD2 4.17Å; Y469-Y873 AromaticContact CE2-CE2 3.86Å; Y469-Y873 HydrophobicContact CE2-CE2 3.86Å; Y469-R876 HydrophobicContact CE1-CG 4.23Å; Y469-K877 VanDerWaalsContact OH-CE 3.26Å; Y469-K877 WeakPolarHBondContact OH-CE 3.4Å; Y469-K877 PolarHBondContact OH-NZ 2.89Å; Y469-K877 VanDerWaalsContact OH-NZ 3.12Å; Y469-E880 VanDerWaalsContact CE1-OE1 3.28Å; Y469-E880 WeakPolarHBondContact CE1-OE1 3.34Å; Y469-E880 VanDerWaalsContact CZ-OE1 3.31Å; Y469-E880 PolarHBondContact OH-OE1 3.4Å; Y469-E880 PolarHBondContact OH-OE2 3.46Å; Y469-E880 VanDerWaalsContact OH-OE2 3.07Å
470	E	96.2	Very high	94.8	Very high	111 Å²	111	35.7 Å²	35.7	52%	0.519	18%	0.177	S	C	.	.	H	α-helix	trans	-58.8	-45.2	-179.7	-173.7	179.1	178	0	0	111.7	E466 I467 E473 N474	E466-E470 WeakPolarHBondContact O-CB 3.38Å; E466-E470 PolarHBondContact O-N 2.91Å; I467-E470 PolarHBondContact O-N 3.23Å; E470-E473 PolarHBondContact O-N 3.4Å; E470-N474 VanDerWaalsContact O-CB 3.31Å; E470-N474 WeakPolarHBondContact O-CB 3.32Å; E470-N474 PolarHBondContact O-N 3.04Å; E470-N474 VanDerWaalsContact O-N 3.08Å; E470-N474 PolarHBondContact O-ND2 3.34Å
471	H	97.2	Very high	94.9	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-68.1	-36.4	177.5	-85.6	-88.8	0	0	0	113	F447 D450 I467 Y469 H475 F476	F447-H471 HydrophobicContact CD2-CB 3.93Å; F447-H471 AromaticContact CD2-CD2 3.76Å; F447-H471 AromaticContact CD2-CG 3.61Å; F447-H471 HydrophobicContact CE2-CB 4.37Å; D450-H471 IonicContact OD2-CE1 4Å; D450-H471 PolarHBondContact OD2-CE1 3.34Å; D450-H471 IonicContact OD2-NE2 2.74Å; D450-H471 PolarHBondContact OD2-NE2 3.03Å; I467-H471 WeakPolarHBondContact O-CB 3.11Å; I467-H471 PolarHBondContact O-CD2 3.37Å; I467-H471 VanDerWaalsContact O-CD2 3.29Å; I467-H471 PolarHBondContact O-N 3.08Å; Y469-H471 VanDerWaalsContact C-N 3.35Å; Y469-H471 PolarHBondContact O-N 3.44Å; H471-H475 AromaticContact CE1-ND1 3.68Å; H471-H475 AromaticContact CG-ND1 3.89Å; H471-H475 AromaticContact ND1-ND1 3.26Å; H471-H475 PolarHBondContact ND1-ND1 3.4Å; H471-H475 PolarHBondContact O-N 3.07Å; H471-F476 HydrophobicContact CB-CD1 4.36Å; H471-F476 HydrophobicContact CB-CE1 3.84Å; H471-F476 HydrophobicContact CB-CZ 4.08Å; H471-F476 WeakPolarHBondContact O-CD1 3.42Å; H471-F476 PolarHBondContact O-N 2.87Å
472	T	96.6	Very high	95.2	Very high	8 Å²	8	37.3 Å²	37.3	5%	0.049	18%	0.182	C	C	.	.	H	α-helix	trans	-63.8	-41.8	177.6	-58	0	0	0	0	111.9	I468 Y469 F476 S561 I562 L565	I468-T472 VanDerWaalsContact O-CB 3.32Å; I468-T472 WeakPolarHBondContact O-CB 3.48Å; I468-T472 PolarHBondContact O-N 2.7Å; I468-T472 PolarHBondContact O-OG1 3.06Å; Y469-T472 PolarHBondContact O-N 2.86Å; T472-F476 HydrophobicContact CG2-CD2 4.28Å; T472-S561 WeakPolarHBondContact CG2-O 3.32Å; T472-I562 HydrophobicContact CG2-CD1 3.82Å; T472-I562 HydrophobicContact CG2-CG1 4.26Å; T472-I562 VanDerWaalsContact OG1-CD1 3.24Å; T472-I562 WeakPolarHBondContact OG1-CD1 3.25Å; T472-L565 HydrophobicContact CG2-CB 4.23Å; T472-L565 HydrophobicContact CG2-CD2 4.22Å
473	E	94.7	Very high	95.4	Very high	52 Å²	52	35.4 Å²	35.4	24%	0.243	17%	0.169	C	C	.	.	H	α-helix	trans	-79.6	-31.1	-177.8	-69.2	-73.4	137.1	0	0	113	Y469 E470 K564 Y873 K877	Y469-E473 HydrophobicContact CD2-CG 4.09Å; Y469-E473 HydrophobicContact CE2-CG 3.62Å; Y469-E473 PolarHBondContact O-N 3.35Å; E470-E473 PolarHBondContact O-N 3.4Å; E473-K564 IonicContact OE1-NZ 2.83Å; E473-K564 IonicContact OE2-NZ 2.78Å; E473-Y873 VanDerWaalsContact CD-OH 3.3Å; E473-Y873 WeakPolarHBondContact OE1-CE2 3.25Å; E473-Y873 PolarHBondContact OE1-OH 3.37Å; E473-Y873 PolarHBondContact OE2-OH 2.91Å; E473-K877 WeakPolarHBondContact OE2-CE 3.48Å; E473-K877 IonicContact OE2-NZ 3.67Å; E473-K877 PolarHBondContact OE2-NZ 2.92Å
474	N	94.3	Very high	95.5	Very high	103 Å²	103	32 Å²	32	55%	0.551	15%	0.153	S	C	*	.	H	α-helix	trans	-105.3	-29.5	-170.5	-62	-40.7	0	0	0	114.8	E470	E470-N474 VanDerWaalsContact O-CB 3.31Å; E470-N474 WeakPolarHBondContact O-CB 3.32Å; E470-N474 PolarHBondContact O-N 3.04Å; E470-N474 VanDerWaalsContact O-N 3.08Å; E470-N474 PolarHBondContact O-ND2 3.34Å
475	H	93.8	Very high	95.2	Very high	73 Å²	73	32.7 Å²	32.7	34%	0.338	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-30.1	-170.7	-55.6	114.7	0	0	0	113.6	T443 H471 E477 N478	T443-H475 HydrophobicContact CG2-CB 3.98Å; H471-H475 AromaticContact CE1-ND1 3.68Å; H471-H475 AromaticContact CG-ND1 3.89Å; H471-H475 AromaticContact ND1-ND1 3.26Å; H471-H475 PolarHBondContact ND1-ND1 3.4Å; H471-H475 PolarHBondContact O-N 3.07Å; H475-E477 PolarHBondContact O-N 3.02Å; H475-E477 VanDerWaalsContact O-N 3.1Å; H475-N478 PolarHBondContact O-N 3Å; H475-N478 PolarHBondContact O-ND2 3.01Å
476	F	97	Very high	94.9	Very high	1 Å²	1	34 Å²	34	0%	0.004	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-3.2	-172.9	-71.5	6.3	0	0	0	114.5	T443 F447 H471 T472 N478 Y479 L534 I562 L565	T443-F476 HydrophobicContact CG2-CD1 3.66Å; T443-F476 HydrophobicContact CG2-CE1 3.9Å; F447-F476 HydrophobicContact CD1-CE1 4.37Å; F447-F476 AromaticContact CD1-CZ 3.93Å; F447-F476 HydrophobicContact CD1-CZ 3.93Å; F447-F476 HydrophobicContact CE1-CZ 4.05Å; F447-F476 HydrophobicContact CG-CE1 4.36Å; F447-F476 HydrophobicContact CG-CZ 4.22Å; F447-F476 HydrophobicContact CZ-CZ 4.42Å; H471-F476 HydrophobicContact CB-CD1 4.36Å; H471-F476 HydrophobicContact CB-CE1 3.84Å; H471-F476 HydrophobicContact CB-CZ 4.08Å; H471-F476 WeakPolarHBondContact O-CD1 3.42Å; H471-F476 PolarHBondContact O-N 2.87Å; T472-F476 HydrophobicContact CG2-CD2 4.28Å; F476-N478 PolarHBondContact O-N 2.96Å; F476-N478 VanDerWaalsContact O-N 3.08Å; F476-Y479 HydrophobicContact CB-CD2 3.89Å; F476-Y479 HydrophobicContact CB-CE2 4.44Å; F476-Y479 HydrophobicContact CD1-CD2 4.15Å; F476-Y479 AromaticContact CD1-CE2 3.83Å; F476-Y479 HydrophobicContact CD1-CE2 3.83Å; F476-Y479 HydrophobicContact CE1-CE2 4.2Å; F476-Y479 AromaticContact CG-CD2 3.97Å; F476-Y479 HydrophobicContact CG-CD2 3.97Å; F476-Y479 HydrophobicContact CG-CE2 4.03Å; F476-Y479 WeakPolarHBondContact O-CB 3.29Å; F476-Y479 PolarHBondContact O-N 3.05Å; F476-L534 HydrophobicContact CD2-CD1 4.49Å; F476-L534 HydrophobicContact CE2-CD1 3.61Å; F476-L534 HydrophobicContact CZ-CD1 4.21Å; F476-I562 HydrophobicContact CD2-CD1 4.12Å; F476-I562 HydrophobicContact CE2-CD1 4.06Å; F476-L565 HydrophobicContact CB-CD1 4.3Å; F476-L565 HydrophobicContact CB-CD2 3.59Å; F476-L565 HydrophobicContact CD2-CD2 3.8Å; F476-L565 HydrophobicContact CG-CD2 4.2Å
477	E	94.9	Very high	94.5	Very high	77 Å²	77	34 Å²	34	36%	0.36	16%	0.164	S	C	.	.	H	α-helix	trans	-53.2	-28.2	167.7	-172.7	63.2	-170	0	0	112.4	H475 Y479 V480 K481 K568	H475-E477 PolarHBondContact O-N 3.02Å; H475-E477 VanDerWaalsContact O-N 3.1Å; E477-Y479 PolarHBondContact O-N 3.44Å; E477-V480 WeakPolarHBondContact O-CB 3.49Å; E477-V480 PolarHBondContact O-N 2.06Å; E477-K481 PolarHBondContact O-N 2.82Å; E477-K568 VanDerWaalsContact OE1-CE 3.32Å; E477-K568 WeakPolarHBondContact OE1-CE 3.39Å; E477-K568 IonicContact OE1-NZ 3.8Å; E477-K568 PolarHBondContact OE1-NZ 3.47Å; E477-K568 WeakPolarHBondContact OE2-CE 3.18Å; E477-K568 IonicContact OE2-NZ 2.93Å; E477-K568 PolarHBondContact OE2-NZ 3.11Å
478	N	95.2	Very high	94.2	Very high	31 Å²	31	33 Å²	33	17%	0.166	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-31	175.3	-64.5	-29.7	0	0	0	112.5	N436 E439 I440 T443 H475 F476 V480 K481 Y482	N436-N478 PolarHBondContact ND2-O 2.98Å; E439-N478 HydrophobicContact CB-CB 4.34Å; E439-N478 PolarHBondContact OE2-OD1 3.18Å; I440-N478 VanDerWaalsContact CD1-C 3.41Å; I440-N478 HydrophobicContact CD1-CB 3.87Å; I440-N478 WeakPolarHBondContact CD1-O 3.46Å; T443-N478 PolarHBondContact OG1-ND2 2.98Å; H475-N478 PolarHBondContact O-N 3Å; H475-N478 PolarHBondContact O-ND2 3.01Å; F476-N478 PolarHBondContact O-N 2.96Å; F476-N478 VanDerWaalsContact O-N 3.08Å; N478-V480 VanDerWaalsContact C-N 3.33Å; N478-K481 PolarHBondContact O-N 2.88Å; N478-Y482 PolarHBondContact O-N 3.38Å; N478-Y482 VanDerWaalsContact O-N 3.13Å
479	Y	96.9	Very high	93.9	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-67	-34	174.5	-72.5	-82.3	0	0	0	112.4	Y399 I440 T443 F476 E477 Y482 V483 P527 V531	Y399-Y479 WeakPolarHBondContact CE1-OH 3.29Å; Y399-Y479 WeakPolarHBondContact OH-CE1 3.43Å; Y399-Y479 PolarHBondContact OH-OH 2.86Å; I440-Y479 HydrophobicContact CD1-CD1 3.75Å; I440-Y479 HydrophobicContact CD1-CD2 4.22Å; I440-Y479 HydrophobicContact CD1-CE1 4.02Å; I440-Y479 HydrophobicContact CD1-CE2 4.46Å; I440-Y479 HydrophobicContact CD1-CG 3.84Å; I440-Y479 HydrophobicContact CG2-CD1 4.45Å; I440-Y479 HydrophobicContact CG2-CE1 3.74Å; T443-Y479 HydrophobicContact CG2-CE2 4.1Å; F476-Y479 HydrophobicContact CB-CD2 3.89Å; F476-Y479 HydrophobicContact CB-CE2 4.44Å; F476-Y479 HydrophobicContact CD1-CD2 4.15Å; F476-Y479 AromaticContact CD1-CE2 3.83Å; F476-Y479 HydrophobicContact CD1-CE2 3.83Å; F476-Y479 HydrophobicContact CE1-CE2 4.2Å; F476-Y479 AromaticContact CG-CD2 3.97Å; F476-Y479 HydrophobicContact CG-CD2 3.97Å; F476-Y479 HydrophobicContact CG-CE2 4.03Å; F476-Y479 WeakPolarHBondContact O-CB 3.29Å; F476-Y479 PolarHBondContact O-N 3.05Å; E477-Y479 PolarHBondContact O-N 3.44Å; Y479-Y482 PolarHBondContact O-N 3.36Å; Y479-V483 WeakPolarHBondContact O-CB 3.41Å; Y479-V483 VanDerWaalsContact O-CG2 3.29Å; Y479-V483 WeakPolarHBondContact O-CG2 3.46Å; Y479-V483 PolarHBondContact O-N 3.32Å; Y479-P527 HydrophobicContact CD1-CB 3.96Å; Y479-P527 HydrophobicContact CE1-CB 3.93Å; Y479-V531 HydrophobicContact CD1-CG2 3.49Å; Y479-V531 VanDerWaalsContact CD1-CG2 3.49Å; Y479-V531 HydrophobicContact CD2-CG2 4.21Å; Y479-V531 HydrophobicContact CE1-CG2 4.13Å; Y479-V531 HydrophobicContact CG-CG2 3.55Å
480	V	95.2	Very high	93.6	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.012	19%	0.185	C	C	.	.	H	α-helix	trans	-61.8	-49.4	176	-176.1	0	0	0	0	109.8	E477 N478 Y482 V483 Q484 L565 K568 E572	E477-V480 WeakPolarHBondContact O-CB 3.49Å; E477-V480 PolarHBondContact O-N 2.06Å; N478-V480 VanDerWaalsContact C-N 3.33Å; V480-Y482 PolarHBondContact O-N 3.14Å; V480-V483 PolarHBondContact O-N 3.21Å; V480-Q484 WeakPolarHBondContact O-CB 3.49Å; V480-Q484 WeakPolarHBondContact O-CG 3.49Å; V480-Q484 PolarHBondContact O-N 2.86Å; V480-L565 HydrophobicContact CG2-CD1 3.62Å; V480-K568 HydrophobicContact CG1-CG 4.1Å; V480-K568 HydrophobicContact CG2-CD 4.08Å; V480-K568 HydrophobicContact CG2-CG 4.12Å; V480-E572 HydrophobicContact CG1-CB 3.87Å; V480-E572 HydrophobicContact CG1-CG 3.58Å
481	K	93.5	Very high	93.4	Very high	84 Å²	84	37.6 Å²	37.6	37%	0.365	18%	0.179	S	C	.	.	H	α-helix	trans	-58.8	-34.2	175.7	-62.9	175.9	-172.3	164.1	0	112.9	E439 E477 N478 Q484 N485	E439-K481 IonicContact OE2-NZ 3.83Å; E477-K481 PolarHBondContact O-N 2.82Å; N478-K481 PolarHBondContact O-N 2.88Å; K481-Q484 WeakPolarHBondContact O-CG 3.42Å; K481-N485 PolarHBondContact O-ND2 3.2Å; K481-N485 VanDerWaalsContact O-ND2 3.13Å
482	Y	95.5	Very high	93.2	Very high	3 Å²	3	38 Å²	38	1%	0.012	18%	0.181	C	C	.	.	H	α-helix	trans	-70.7	-53.3	177	-168.2	-89	0	0	0	111.3	N436 I437 I440 N478 Y479 V480 Q484 N485 Q489 L524 P527	N436-Y482 VanDerWaalsContact OD1-CA 3.27Å; N436-Y482 WeakPolarHBondContact OD1-CA 3.23Å; N436-Y482 WeakPolarHBondContact OD1-CB 3.42Å; N436-Y482 PolarHBondContact OD1-N 2.91Å; I437-Y482 HydrophobicContact CB-CE2 3.98Å; I437-Y482 HydrophobicContact CD1-CD2 4.43Å; I437-Y482 HydrophobicContact CD1-CE2 3.7Å; I437-Y482 HydrophobicContact CG1-CE2 4.4Å; I440-Y482 HydrophobicContact CG1-CD2 4.1Å; I440-Y482 HydrophobicContact CG1-CG 4.32Å; N478-Y482 PolarHBondContact O-N 3.38Å; N478-Y482 VanDerWaalsContact O-N 3.13Å; Y479-Y482 PolarHBondContact O-N 3.36Å; V480-Y482 PolarHBondContact O-N 3.14Å; Y482-Q484 PolarHBondContact O-N 2.9Å; Y482-N485 PolarHBondContact O-N 2.82Å; Y482-N485 VanDerWaalsContact O-N 3.16Å; Y482-Q489 PolarHBondContact OH-NE2 2.7Å; Y482-L524 WeakPolarHBondContact CE1-O 3.39Å; Y482-L524 PolarHBondContact OH-O 2.98Å; Y482-P527 HydrophobicContact CD1-CB 3.68Å; Y482-P527 HydrophobicContact CD1-CG 3.96Å; Y482-P527 HydrophobicContact CE1-CB 3.8Å; Y482-P527 HydrophobicContact CE1-CG 3.6Å; Y482-P527 HydrophobicContact CE2-CG 4.26Å; Y482-P527 HydrophobicContact CG-CB 4.18Å; Y482-P527 HydrophobicContact CG-CG 4.41Å
483	V	93	Very high	93.1	Very high	6 Å²	6	38 Å²	38	4%	0.036	18%	0.181	C	C	.	.	H	α-helix	trans	-66.1	-38.6	-175.1	175.4	0	0	0	0	111.8	Y479 V480 N485 Q486 M528 C569 K573	Y479-V483 WeakPolarHBondContact O-CB 3.41Å; Y479-V483 VanDerWaalsContact O-CG2 3.29Å; Y479-V483 WeakPolarHBondContact O-CG2 3.46Å; Y479-V483 PolarHBondContact O-N 3.32Å; V480-V483 PolarHBondContact O-N 3.21Å; V483-N485 PolarHBondContact O-N 2.73Å; V483-N485 VanDerWaalsContact O-N 3.16Å; V483-Q486 WeakPolarHBondContact O-CB 3.41Å; V483-Q486 PolarHBondContact O-N 2.78Å; V483-Q486 VanDerWaalsContact O-N 3.1Å; V483-M528 HydrophobicContact CG2-CB 4.22Å; V483-M528 HydrophobicContact CG2-CG 4.33Å; V483-C569 HydrophobicContact CB-CB 4.26Å; V483-C569 HydrophobicContact CG1-CB 4.08Å; V483-K573 HydrophobicContact CG1-CB 4.34Å; V483-K573 HydrophobicContact CG1-CD 4.28Å
484	Q	92.2	Very high	93.1	Very high	34 Å²	34	39.5 Å²	39.5	16%	0.159	19%	0.194	C	C	.	.	H	α-helix	trans	-62.1	-24.9	177.3	77.3	-178.2	12.7	0	0	112.8	V480 K481 Y482 E572 M576	V480-Q484 WeakPolarHBondContact O-CB 3.49Å; V480-Q484 WeakPolarHBondContact O-CG 3.49Å; V480-Q484 PolarHBondContact O-N 2.86Å; K481-Q484 WeakPolarHBondContact O-CG 3.42Å; Y482-Q484 PolarHBondContact O-N 2.9Å; Q484-E572 HydrophobicContact CB-CB 3.97Å; Q484-M576 HydrophobicContact CB-CG 3.96Å; Q484-M576 HydrophobicContact CG-CG 4.35Å
485	N	90.7	Very high	93.1	Very high	16 Å²	16	40.9 Å²	40.9	9%	0.086	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	1.1	-179.5	-72	-20.4	0	0	0	113.2	S435 K481 Y482 V483 M487 Y488 Q489	S435-N485 PolarHBondContact OG-ND2 3.42Å; K481-N485 PolarHBondContact O-ND2 3.2Å; K481-N485 VanDerWaalsContact O-ND2 3.13Å; Y482-N485 PolarHBondContact O-N 2.82Å; Y482-N485 VanDerWaalsContact O-N 3.16Å; V483-N485 PolarHBondContact O-N 2.73Å; V483-N485 VanDerWaalsContact O-N 3.16Å; N485-M487 PolarHBondContact O-N 2.87Å; N485-M487 VanDerWaalsContact O-N 3.15Å; N485-Y488 HydrophobicContact CB-CD2 4.3Å; N485-Y488 PolarHBondContact O-N 3.31Å; N485-Q489 PolarHBondContact O-N 3.26Å
486	Q	89.7	Confident	93.1	Very high	28 Å²	28	37.7 Å²	37.7	13%	0.131	18%	0.18	C	C	.	.	H	α-helix	trans	-55.7	-36.9	-172.5	-172.4	-177	21.9	0	0	113.4	V483 Y488 Q489 L490 M528 K573	V483-Q486 WeakPolarHBondContact O-CB 3.41Å; V483-Q486 PolarHBondContact O-N 2.78Å; V483-Q486 VanDerWaalsContact O-N 3.1Å; Q486-Y488 VanDerWaalsContact C-N 3.33Å; Q486-Y488 PolarHBondContact O-N 2.88Å; Q486-Q489 WeakPolarHBondContact O-CB 3.4Å; Q486-Q489 PolarHBondContact O-N 3.28Å; Q486-L490 PolarHBondContact O-N 3.05Å; Q486-M528 PolarHBondContact NE2-SD 2.78Å; Q486-M528 PolarHBondContact OE1-SD 3.05Å; Q486-K573 VanDerWaalsContact OE1-CE 3.28Å
487	M	86.9	Confident	92.9	Very high	51 Å²	51	41.9 Å²	41.9	25%	0.251	20%	0.202	S	C	.	.	H	α-helix	trans	-60.7	-40.9	177.4	-179.2	-176.3	69.3	0	0	112.1	N485 L490 R491 E577 E580	N485-M487 PolarHBondContact O-N 2.87Å; N485-M487 VanDerWaalsContact O-N 3.15Å; M487-L490 PolarHBondContact O-N 3.4Å; M487-R491 WeakPolarHBondContact O-CB 3.4Å; M487-R491 PolarHBondContact O-N 3.29Å; M487-E577 HydrophobicContact SD-CG 4.26Å; M487-E580 HydrophobicContact CE-CB 3.41Å; M487-E580 VanDerWaalsContact CE-CB 3.41Å; M487-E580 HydrophobicContact CE-CG 3.54Å; M487-E580 HydrophobicContact SD-CB 4.31Å; M487-E580 HydrophobicContact SD-CG 4.27Å
488	Y	89.5	Confident	92.9	Very high	3 Å²	3	43 Å²	43	1%	0.012	22%	0.218	C	C	.	.	H	α-helix	trans	-68.1	-37.6	177	-55.6	-66.3	0	0	0	111.6	L209 Y210 N485 Q486 T492 M576	L209-Y488 HydrophobicContact CD1-CD2 4.23Å; Y210-Y488 AromaticContact CE2-CZ 3.92Å; Y210-Y488 WeakPolarHBondContact CE2-OH 3.49Å; Y210-Y488 PolarHBondContact OH-OH 2.9Å; N485-Y488 HydrophobicContact CB-CD2 4.3Å; N485-Y488 PolarHBondContact O-N 3.31Å; Q486-Y488 VanDerWaalsContact C-N 3.33Å; Q486-Y488 PolarHBondContact O-N 2.88Å; Y488-T492 WeakPolarHBondContact O-CB 3.27Å; Y488-T492 PolarHBondContact O-N 2.91Å; Y488-T492 PolarHBondContact O-OG1 3.18Å; Y488-M576 HydrophobicContact CE2-CE 3.78Å; Y488-M576 WeakPolarHBondContact OH-CE 3.45Å
489	Q	93	Very high	92.8	Very high	9 Å²	9	43.7 Å²	43.7	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-60.5	-50.8	175.3	-60.2	-177.8	-73.9	0	0	110.3	H432 L433 Y482 N485 Q486 R491 T492 L493	H432-Q489 WeakPolarHBondContact O-CA 3.39Å; H432-Q489 WeakPolarHBondContact O-CG 3.42Å; H432-Q489 PolarHBondContact O-N 3.12Å; L433-Q489 WeakPolarHBondContact O-CG 3.36Å; L433-Q489 PolarHBondContact O-NE2 3.24Å; Y482-Q489 PolarHBondContact OH-NE2 2.7Å; N485-Q489 PolarHBondContact O-N 3.26Å; Q486-Q489 WeakPolarHBondContact O-CB 3.4Å; Q486-Q489 PolarHBondContact O-N 3.28Å; Q489-R491 PolarHBondContact O-N 2.96Å; Q489-T492 PolarHBondContact O-N 2.98Å; Q489-L493 WeakPolarHBondContact O-CB 3.41Å; Q489-L493 PolarHBondContact O-N 3.43Å
490	L	90.7	Very high	92.6	Very high	102 Å²	102	48.7 Å²	48.7	53%	0.534	26%	0.258	S	S	.	.	H	α-helix	trans	-63.1	-44.9	-179.1	-176.2	63.2	0	0	0	112	Q486 M487 T494	Q486-L490 PolarHBondContact O-N 3.05Å; M487-L490 PolarHBondContact O-N 3.4Å; L490-T494 WeakPolarHBondContact O-CB 3.49Å; L490-T494 PolarHBondContact O-N 2.91Å; L490-T494 PolarHBondContact O-OG1 3.11Å
491	R	90.9	Very high	92.5	Very high	105 Å²	105	51.1 Å²	51.1	40%	0.396	28%	0.279	S	S	.	.	H	α-helix	trans	-63	-47.2	177.9	-176.9	173.7	71.2	-176.2	-1	111.6	M487 Q489 T494 K495 E580	M487-R491 WeakPolarHBondContact O-CB 3.4Å; M487-R491 PolarHBondContact O-N 3.29Å; Q489-R491 PolarHBondContact O-N 2.96Å; R491-T494 PolarHBondContact O-N 2.88Å; R491-K495 WeakPolarHBondContact O-CB 3.42Å; R491-K495 PolarHBondContact O-N 3.47Å; R491-E580 IonicContact CZ-OE1 3.6Å; R491-E580 IonicContact NH1-OE1 3.68Å; R491-E580 PolarHBondContact NH1-OE1 2.78Å; R491-E580 IonicContact NH2-OE1 2.76Å
492	T	93.6	Very high	92.6	Very high	9 Å²	9	47.1 Å²	47.1	6%	0.055	26%	0.262	C	S	.	.	H	α-helix	trans	-65.8	-44.5	-179.2	-57.5	0	0	0	0	110.5	E429 H432 L433 Y488 Q489 T494 K495 L496	E429-T492 HydrophobicContact CB-CG2 3.99Å; E429-T492 HydrophobicContact CG-CG2 4.07Å; H432-T492 HydrophobicContact CB-CG2 4.12Å; H432-T492 VanDerWaalsContact CB-OG1 3.23Å; H432-T492 WeakPolarHBondContact CB-OG1 3.34Å; L433-T492 HydrophobicContact CB-CG2 4.39Å; Y488-T492 WeakPolarHBondContact O-CB 3.27Å; Y488-T492 PolarHBondContact O-N 2.91Å; Y488-T492 PolarHBondContact O-OG1 3.18Å; Q489-T492 PolarHBondContact O-N 2.98Å; T492-T494 PolarHBondContact O-N 3.21Å; T492-K495 PolarHBondContact O-N 3Å; T492-L496 HydrophobicContact CG2-CD1 3.79Å; T492-L496 HydrophobicContact CG2-CG 4.21Å; T492-L496 WeakPolarHBondContact O-CB 3.39Å; T492-L496 VanDerWaalsContact O-CG 3.23Å; T492-L496 WeakPolarHBondContact O-CG 3.35Å; T492-L496 PolarHBondContact O-N 3.35Å
493	L	94.3	Very high	92.5	Very high	9 Å²	9	49 Å²	49	5%	0.047	27%	0.273	C	S	.	.	H	α-helix	trans	-59.4	-45.9	175	-179.2	61.8	0	0	0	111.4	L433 Q489 K495 L496 L497 F502 L520 N521 L524	L433-L493 HydrophobicContact CD1-CB 3.9Å; L433-L493 HydrophobicContact CD1-CD1 4.13Å; Q489-L493 WeakPolarHBondContact O-CB 3.41Å; Q489-L493 PolarHBondContact O-N 3.43Å; L493-K495 VanDerWaalsContact C-N 3.33Å; L493-K495 PolarHBondContact O-N 3.37Å; L493-L496 PolarHBondContact O-N 3.28Å; L493-L497 HydrophobicContact CD1-CD1 4.07Å; L493-L497 HydrophobicContact CD1-CG 4.02Å; L493-L497 HydrophobicContact CG-CD1 3.91Å; L493-L497 HydrophobicContact CG-CG 4.29Å; L493-L497 WeakPolarHBondContact O-CB 3.48Å; L493-L497 VanDerWaalsContact O-CG 3.23Å; L493-L497 WeakPolarHBondContact O-CG 3.48Å; L493-L497 PolarHBondContact O-N 2.88Å; L493-F502 HydrophobicContact CD1-CE1 4.18Å; L493-F502 HydrophobicContact CD1-CZ 4.39Å; L493-L520 HydrophobicContact CD1-CD2 4.11Å; L493-N521 HydrophobicContact CD2-CB 3.85Å; L493-N521 WeakPolarHBondContact CD2-OD1 3.15Å; L493-L524 HydrophobicContact CD2-CD1 4.34Å
494	T	94.4	Very high	92.5	Very high	83 Å²	83	53.5 Å²	53.5	51%	0.509	29%	0.294	S	S	.	.	H	α-helix	trans	-61.3	-42.2	178.4	-57.3	0	0	0	0	111.8	L490 R491 T492 S498	L490-T494 WeakPolarHBondContact O-CB 3.49Å; L490-T494 PolarHBondContact O-N 2.91Å; L490-T494 PolarHBondContact O-OG1 3.11Å; R491-T494 PolarHBondContact O-N 2.88Å; T492-T494 PolarHBondContact O-N 3.21Å; T494-S498 PolarHBondContact O-OG 2.95Å
495	K	94.5	Very high	92.5	Very high	131 Å²	131	52.5 Å²	52.5	57%	0.57	29%	0.292	S	S	*	.	H	α-helix	trans	-62.3	-48.7	174.7	-175.5	-165.3	174.1	-153	0	111	E429 R491 T492 L493 L497 S498	E429-K495 IonicContact OE1-NZ 2.77Å; E429-K495 PolarHBondContact OE1-NZ 3.12Å; R491-K495 WeakPolarHBondContact O-CB 3.42Å; R491-K495 PolarHBondContact O-N 3.47Å; T492-K495 PolarHBondContact O-N 3Å; L493-K495 VanDerWaalsContact C-N 3.33Å; L493-K495 PolarHBondContact O-N 3.37Å; K495-L497 PolarHBondContact O-N 2.92Å; K495-S498 VanDerWaalsContact O-CB 3.25Å; K495-S498 WeakPolarHBondContact O-CB 2.83Å; K495-S498 PolarHBondContact O-N 3.29Å; K495-S498 VanDerWaalsContact O-N 3.08Å
496	L	93.9	Very high	92.6	Very high	7 Å²	7	52 Å²	52	4%	0.037	29%	0.289	C	S	.	.	H	α-helix	trans	-66.3	-35.7	-178	-71.2	175.3	0	0	0	112.4	I425 E429 L433 T492 L493 S498 S499 F502	I425-L496 HydrophobicContact CG2-CD1 3.87Å; I425-L496 HydrophobicContact CG2-CD2 3.92Å; E429-L496 HydrophobicContact CB-CD1 4.43Å; E429-L496 HydrophobicContact CG-CD2 4.45Å; L433-L496 HydrophobicContact CD2-CD1 4.07Å; T492-L496 HydrophobicContact CG2-CD1 3.79Å; T492-L496 HydrophobicContact CG2-CG 4.21Å; T492-L496 WeakPolarHBondContact O-CB 3.39Å; T492-L496 VanDerWaalsContact O-CG 3.23Å; T492-L496 WeakPolarHBondContact O-CG 3.35Å; T492-L496 PolarHBondContact O-N 3.35Å; L493-L496 PolarHBondContact O-N 3.28Å; L496-S498 PolarHBondContact O-N 2.79Å; L496-S498 VanDerWaalsContact O-N 3.15Å; L496-S499 WeakPolarHBondContact O-CB 3.43Å; L496-S499 PolarHBondContact O-N 2.78Å; L496-F502 HydrophobicContact CB-CD1 3.66Å; L496-F502 HydrophobicContact CB-CD2 4.02Å; L496-F502 HydrophobicContact CB-CE1 3.7Å; L496-F502 HydrophobicContact CB-CE2 4.07Å; L496-F502 HydrophobicContact CB-CG 3.82Å; L496-F502 HydrophobicContact CB-CZ 3.91Å; L496-F502 HydrophobicContact CD1-CD2 4.22Å; L496-F502 HydrophobicContact CD1-CE2 3.74Å; L496-F502 HydrophobicContact CD1-CZ 3.94Å; L496-F502 HydrophobicContact CD2-CD2 4.36Å; L496-F502 HydrophobicContact CG-CD2 4.44Å; L496-F502 HydrophobicContact CG-CE2 4.39Å; L496-F502 WeakPolarHBondContact O-CB 3.41Å; L496-F502 WeakPolarHBondContact O-CD1 3.46Å
497	L	93.3	Very high	92.7	Very high	88 Å²	88	55.8 Å²	55.8	46%	0.461	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-11.6	173.9	-71.9	173.7	0	0	0	113.6	L493 K495 S499 F502 V503	L493-L497 HydrophobicContact CD1-CD1 4.07Å; L493-L497 HydrophobicContact CD1-CG 4.02Å; L493-L497 HydrophobicContact CG-CD1 3.91Å; L493-L497 HydrophobicContact CG-CG 4.29Å; L493-L497 WeakPolarHBondContact O-CB 3.48Å; L493-L497 VanDerWaalsContact O-CG 3.23Å; L493-L497 WeakPolarHBondContact O-CG 3.48Å; L493-L497 PolarHBondContact O-N 2.88Å; K495-L497 PolarHBondContact O-N 2.92Å; L497-S499 VanDerWaalsContact C-N 3.33Å; L497-F502 HydrophobicContact CD2-CD1 4.3Å; L497-F502 HydrophobicContact CD2-CE1 4.11Å; L497-F502 HydrophobicContact CG-CE1 4.45Å; L497-V503 HydrophobicContact CD2-CG2 4.18Å; L497-V503 VanDerWaalsContact O-CG2 3.25Å; L497-V503 WeakPolarHBondContact O-CG2 3.3Å
498	S	93.9	Very high	93	Very high	100 Å²	100	56.2 Å²	56.2	70%	0.699	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-15.5	169.7	-54.2	0	0	0	0	112.3	T494 K495 L496	T494-S498 PolarHBondContact O-OG 2.95Å; K495-S498 VanDerWaalsContact O-CB 3.25Å; K495-S498 WeakPolarHBondContact O-CB 2.83Å; K495-S498 PolarHBondContact O-N 3.29Å; K495-S498 VanDerWaalsContact O-N 3.08Å; L496-S498 PolarHBondContact O-N 2.79Å; L496-S498 VanDerWaalsContact O-N 3.15Å
499	S	93.2	Very high	93.1	Very high	46 Å²	46	56.8 Å²	56.8	32%	0.322	31%	0.313	S	S	.	.	S	Bend	trans	-87.9	119.1	176	177.2	0	0	0	0	110.6	L496 L497 A501 F502 V503	L496-S499 WeakPolarHBondContact O-CB 3.43Å; L496-S499 PolarHBondContact O-N 2.78Å; L497-S499 VanDerWaalsContact C-N 3.33Å; S499-A501 PolarHBondContact O-N 3.27Å; S499-F502 PolarHBondContact O-N 3.13Å; S499-V503 WeakPolarHBondContact O-CG2 3.35Å; S499-V503 PolarHBondContact O-N 3.44Å; S499-V503 VanDerWaalsContact O-N 3.08Å
500	P	93.3	Very high	93.1	Very high	106 Å²	106	58.8 Å²	58.8	69%	0.688	32%	0.323	S	S	*	.	H	α-helix	trans	-62.3	-33.2	-179.8	24.2	-32.9	0	0	0	112.5	F502 V503 E504	P500-F502 PolarHBondContact O-N 2.9Å; P500-V503 PolarHBondContact O-N 2.96Å; P500-E504 PolarHBondContact O-N 2.87Å
501	A	92.7	Very high	93.1	Very high	54 Å²	54	60.8 Å²	60.8	45%	0.446	33%	0.329	S	S	.	.	H	α-helix	trans	-62.7	-42.9	177.3	0	0	0	0	0	111.9	V424 S499 A505	V424-A501 HydrophobicContact CG1-CB 4.13Å; S499-A501 PolarHBondContact O-N 3.27Å; A501-A505 WeakPolarHBondContact O-CB 3.32Å; A501-A505 PolarHBondContact O-N 3.23Å
502	F	94.7	Very high	92.9	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-67.4	-43.5	176.4	-179.7	-94.1	0	0	0	111.8	M416 V424 I425 L433 L493 L496 L497 S499 P500 E504 A505 V506 L520	M416-F502 HydrophobicContact CE-CD2 4.29Å; M416-F502 HydrophobicContact CE-CE2 3.59Å; M416-F502 HydrophobicContact CE-CZ 4.09Å; M416-F502 HydrophobicContact SD-CE2 3.86Å; V424-F502 HydrophobicContact CG2-CB 4.43Å; V424-F502 HydrophobicContact CG2-CD2 3.89Å; I425-F502 HydrophobicContact CG2-CD2 3.61Å; I425-F502 HydrophobicContact CG2-CE2 3.65Å; L433-F502 HydrophobicContact CD2-CE2 4.41Å; L433-F502 HydrophobicContact CD2-CZ 4.25Å; L493-F502 HydrophobicContact CD1-CE1 4.18Å; L493-F502 HydrophobicContact CD1-CZ 4.39Å; L496-F502 HydrophobicContact CB-CD1 3.66Å; L496-F502 HydrophobicContact CB-CD2 4.02Å; L496-F502 HydrophobicContact CB-CE1 3.7Å; L496-F502 HydrophobicContact CB-CE2 4.07Å; L496-F502 HydrophobicContact CB-CG 3.82Å; L496-F502 HydrophobicContact CB-CZ 3.91Å; L496-F502 HydrophobicContact CD1-CD2 4.22Å; L496-F502 HydrophobicContact CD1-CE2 3.74Å; L496-F502 HydrophobicContact CD1-CZ 3.94Å; L496-F502 HydrophobicContact CD2-CD2 4.36Å; L496-F502 HydrophobicContact CG-CD2 4.44Å; L496-F502 HydrophobicContact CG-CE2 4.39Å; L496-F502 WeakPolarHBondContact O-CB 3.41Å; L496-F502 WeakPolarHBondContact O-CD1 3.46Å; L497-F502 HydrophobicContact CD2-CD1 4.3Å; L497-F502 HydrophobicContact CD2-CE1 4.11Å; L497-F502 HydrophobicContact CG-CE1 4.45Å; S499-F502 PolarHBondContact O-N 3.13Å; P500-F502 PolarHBondContact O-N 2.9Å; F502-E504 VanDerWaalsContact C-N 3.32Å; F502-E504 PolarHBondContact O-N 2.79Å; F502-A505 PolarHBondContact O-N 3.25Å; F502-V506 HydrophobicContact CD1-CG2 4.01Å; F502-V506 HydrophobicContact CD2-CG2 4.39Å; F502-V506 HydrophobicContact CE1-CG2 3.6Å; F502-V506 HydrophobicContact CE2-CG2 3.99Å; F502-V506 HydrophobicContact CG-CG2 4.4Å; F502-V506 HydrophobicContact CZ-CG2 3.58Å; F502-V506 WeakPolarHBondContact O-CB 3.28Å; F502-V506 WeakPolarHBondContact O-CG2 3.46Å; F502-V506 PolarHBondContact O-N 3.08Å; F502-L520 HydrophobicContact CZ-CD2 3.96Å
503	V	94.3	Very high	92.5	Very high	42 Å²	42	65.7 Å²	65.7	26%	0.255	37%	0.367	S	S	.	.	H	α-helix	trans	-60.3	-42.5	178.3	173.9	0	0	0	0	111.3	L497 S499 P500 R507	L497-V503 HydrophobicContact CD2-CG2 4.18Å; L497-V503 VanDerWaalsContact O-CG2 3.25Å; L497-V503 WeakPolarHBondContact O-CG2 3.3Å; S499-V503 WeakPolarHBondContact O-CG2 3.35Å; S499-V503 PolarHBondContact O-N 3.44Å; S499-V503 VanDerWaalsContact O-N 3.08Å; P500-V503 PolarHBondContact O-N 2.96Å; V503-R507 VanDerWaalsContact O-CB 3.25Å; V503-R507 WeakPolarHBondContact O-CB 3.11Å; V503-R507 PolarHBondContact O-N 3.31Å
504	E	93.5	Very high	92.1	Very high	100 Å²	100	67.5 Å²	67.5	47%	0.467	38%	0.381	S	S	.	.	H	α-helix	trans	-65.4	-47.5	177	-167.8	59.8	-127.5	0	0	111.7	P500 F502 V506 R507 S508	P500-E504 PolarHBondContact O-N 2.87Å; F502-E504 VanDerWaalsContact C-N 3.32Å; F502-E504 PolarHBondContact O-N 2.79Å; E504-V506 PolarHBondContact O-N 3.37Å; E504-R507 VanDerWaalsContact CD-NH1 3.34Å; E504-R507 PolarHBondContact O-N 3.3Å; E504-R507 IonicContact OE1-NH1 3.5Å; E504-R507 PolarHBondContact OE1-NH1 3.2Å; E504-R507 IonicContact OE2-CZ 3.53Å; E504-R507 IonicContact OE2-NH1 3.38Å; E504-R507 PolarHBondContact OE2-NH1 2.99Å; E504-S508 PolarHBondContact O-N 2.96Å
505	A	92.2	Very high	91.6	Very high	14 Å²	14	63.7 Å²	63.7	12%	0.116	36%	0.358	C	S	.	.	H	α-helix	trans	-57.6	-48.1	178.2	0	0	0	0	0	111.6	C415 V424 A501 F502 S508 I509	C415-A505 HydrophobicContact CB-CB 4.12Å; V424-A505 HydrophobicContact CG1-CB 4.36Å; V424-A505 HydrophobicContact CG2-CB 3.98Å; A501-A505 WeakPolarHBondContact O-CB 3.32Å; A501-A505 PolarHBondContact O-N 3.23Å; F502-A505 PolarHBondContact O-N 3.25Å; A505-S508 PolarHBondContact O-N 2.85Å; A505-S508 PolarHBondContact O-OG 3.11Å; A505-I509 WeakPolarHBondContact O-CG1 3.37Å; A505-I509 PolarHBondContact O-N 3.45Å
506	V	93.3	Very high	90.9	Very high	6 Å²	6	59.7 Å²	59.7	4%	0.036	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-40.8	177.2	170	0	0	0	0	111.6	F410 M416 F502 E504 S508 I509 Q510 L520	F410-V506 HydrophobicContact CE1-CG1 4.48Å; M416-V506 HydrophobicContact CE-CG2 3.5Å; M416-V506 VanDerWaalsContact CE-CG2 3.5Å; F502-V506 HydrophobicContact CD1-CG2 4.01Å; F502-V506 HydrophobicContact CD2-CG2 4.39Å; F502-V506 HydrophobicContact CE1-CG2 3.6Å; F502-V506 HydrophobicContact CE2-CG2 3.99Å; F502-V506 HydrophobicContact CG-CG2 4.4Å; F502-V506 HydrophobicContact CZ-CG2 3.58Å; F502-V506 WeakPolarHBondContact O-CB 3.28Å; F502-V506 WeakPolarHBondContact O-CG2 3.46Å; F502-V506 PolarHBondContact O-N 3.08Å; E504-V506 PolarHBondContact O-N 3.37Å; V506-S508 VanDerWaalsContact C-N 3.33Å; V506-S508 PolarHBondContact O-N 2.84Å; V506-I509 PolarHBondContact O-N 2.67Å; V506-Q510 HydrophobicContact CG1-CG 4.14Å; V506-Q510 WeakPolarHBondContact O-CB 3.25Å; V506-Q510 VanDerWaalsContact O-CG 3.29Å; V506-Q510 WeakPolarHBondContact O-CG 3.43Å; V506-Q510 PolarHBondContact O-N 3.24Å; V506-L520 HydrophobicContact CG1-CB 4.14Å; V506-L520 HydrophobicContact CG2-CD2 4.13Å
507	R	91.9	Very high	90.1	Very high	106 Å²	106	69 Å²	69	40%	0.4	40%	0.395	S	S	.	.	H	α-helix	trans	-60.4	-43.3	176.9	-170.1	-171.4	-57.5	134.1	5.4	111.5	V503 E504 I509 Q510 Q511	V503-R507 VanDerWaalsContact O-CB 3.25Å; V503-R507 WeakPolarHBondContact O-CB 3.11Å; V503-R507 PolarHBondContact O-N 3.31Å; E504-R507 VanDerWaalsContact CD-NH1 3.34Å; E504-R507 PolarHBondContact O-N 3.3Å; E504-R507 IonicContact OE1-NH1 3.5Å; E504-R507 PolarHBondContact OE1-NH1 3.2Å; E504-R507 IonicContact OE2-CZ 3.53Å; E504-R507 IonicContact OE2-NH1 3.38Å; E504-R507 PolarHBondContact OE2-NH1 2.99Å; R507-I509 VanDerWaalsContact C-N 3.28Å; R507-I509 PolarHBondContact O-N 2.96Å; R507-Q510 PolarHBondContact O-N 3.25Å; R507-Q511 WeakPolarHBondContact O-CG 3.03Å; R507-Q511 PolarHBondContact O-N 3.05Å
508	S	92	Very high	89.8	Confident	60 Å²	60	67.3 Å²	67.3	42%	0.42	39%	0.385	S	S	.	.	H	α-helix	trans	-60.4	-38.2	178.3	77.7	0	0	0	0	112.4	E504 A505 V506	E504-S508 PolarHBondContact O-N 2.96Å; A505-S508 PolarHBondContact O-N 2.85Å; A505-S508 PolarHBondContact O-OG 3.11Å; V506-S508 VanDerWaalsContact C-N 3.33Å; V506-S508 PolarHBondContact O-N 2.84Å
509	I	91.9	Very high	89.7	Confident	15 Å²	15	64.1 Å²	64.1	8%	0.077	36%	0.36	C	S	.	.	H	α-helix	trans	-71.3	-44.7	176.3	-63.2	165.5	0	0	0	110.6	K409 F410 A413 A505 V506 R507 Q511 Q512 C515	K409-I509 HydrophobicContact CB-CG2 3.99Å; K409-I509 VanDerWaalsContact O-CG2 3.27Å; K409-I509 WeakPolarHBondContact O-CG2 3.22Å; F410-I509 HydrophobicContact CD1-CB 4.38Å; F410-I509 HydrophobicContact CD1-CD1 4.27Å; F410-I509 HydrophobicContact CD1-CG2 3.77Å; F410-I509 HydrophobicContact CD2-CG2 4.12Å; F410-I509 HydrophobicContact CE1-CB 4.05Å; F410-I509 HydrophobicContact CE1-CG2 3.54Å; F410-I509 HydrophobicContact CE2-CG2 3.91Å; F410-I509 HydrophobicContact CG-CG2 4.07Å; F410-I509 HydrophobicContact CZ-CB 4.46Å; F410-I509 HydrophobicContact CZ-CG2 3.62Å; A413-I509 HydrophobicContact CB-CD1 3.86Å; A505-I509 WeakPolarHBondContact O-CG1 3.37Å; A505-I509 PolarHBondContact O-N 3.45Å; V506-I509 PolarHBondContact O-N 2.67Å; R507-I509 VanDerWaalsContact C-N 3.28Å; R507-I509 PolarHBondContact O-N 2.96Å; I509-Q511 PolarHBondContact O-N 3.26Å; I509-Q512 WeakPolarHBondContact O-CB 3.21Å; I509-Q512 WeakPolarHBondContact O-CG 3.38Å; I509-Q512 PolarHBondContact O-N 3.19Å; I509-C515 PolarHBondContact O-SG 2.92Å
510	Q	92.6	Very high	89.6	Confident	52 Å²	52	62 Å²	62	24%	0.243	35%	0.346	C	S	.	.	H	α-helix	trans	-65.5	-23.8	-178.5	-73.5	175.2	-176.1	0	0	113.6	F410 V506 R507 Q512 D519	F410-Q510 HydrophobicContact CE1-CG 4.09Å; F410-Q510 HydrophobicContact CZ-CG 3.93Å; V506-Q510 HydrophobicContact CG1-CG 4.14Å; V506-Q510 WeakPolarHBondContact O-CB 3.25Å; V506-Q510 VanDerWaalsContact O-CG 3.29Å; V506-Q510 WeakPolarHBondContact O-CG 3.43Å; V506-Q510 PolarHBondContact O-N 3.24Å; R507-Q510 PolarHBondContact O-N 3.25Å; Q510-Q512 PolarHBondContact O-N 2.98Å; Q510-D519 VanDerWaalsContact OE1-CA 3.25Å
511	Q	90.5	Very high	89.6	Confident	143 Å²	143	59.9 Å²	59.9	67%	0.668	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-13.4	174.1	-75.6	174.6	-5.7	0	0	113.3	R507 I509	R507-Q511 WeakPolarHBondContact O-CG 3.03Å; R507-Q511 PolarHBondContact O-N 3.05Å; I509-Q511 PolarHBondContact O-N 3.26Å
512	Q	88.1	Confident	89.6	Confident	85 Å²	85	58.1 Å²	58.1	40%	0.397	31%	0.313	S	S	.	.	S	Bend	trans	-65.7	135.8	176.8	-60.8	-141.5	-37.7	0	0	110.6	I509 Q510 S514 C515	I509-Q512 WeakPolarHBondContact O-CB 3.21Å; I509-Q512 WeakPolarHBondContact O-CG 3.38Å; I509-Q512 PolarHBondContact O-N 3.19Å; Q510-Q512 PolarHBondContact O-N 2.98Å; Q512-S514 PolarHBondContact O-N 2.83Å; Q512-C515 WeakPolarHBondContact O-CB 3.35Å; Q512-C515 PolarHBondContact O-N 2.88Å
513	P	84.9	Confident	89.6	Confident	132 Å²	132	58.1 Å²	58.1	86%	0.857	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-55.2	-30.1	-179	-27.4	34	0	0	0	114	C515 G516	P513-C515 PolarHBondContact O-N 3.38Å; P513-G516 PolarHBondContact O-N 2.83Å
514	S	84.7	Confident	89.6	Confident	48 Å²	48	56.5 Å²	56.5	34%	0.336	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-62.6	-24.8	177.9	53.7	0	0	0	0	113.9	I405 K409 Q512 G516	I405-S514 VanDerWaalsContact CD1-O 3.29Å; I405-S514 WeakPolarHBondContact CD1-O 3.23Å; K409-S514 WeakPolarHBondContact CE-OG 3.47Å; Q512-S514 PolarHBondContact O-N 2.83Å; S514-G516 VanDerWaalsContact C-N 3.3Å; S514-G516 PolarHBondContact O-N 2.78Å
515	C	83.8	Confident	89.7	Confident	2 Å²	2	54 Å²	54	1%	0.014	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-79.9	-10.8	-176.6	-63.2	0	0	0	0	113	I509 Q512 P513 F517 L518	I509-C515 PolarHBondContact O-SG 2.92Å; Q512-C515 WeakPolarHBondContact O-CB 3.35Å; Q512-C515 PolarHBondContact O-N 2.88Å; P513-C515 PolarHBondContact O-N 3.38Å; C515-F517 PolarHBondContact O-N 2.88Å; C515-F517 VanDerWaalsContact O-N 3.16Å; C515-L518 WeakPolarHBondContact O-CB 3.3Å; C515-L518 PolarHBondContact O-N 2.98Å
516	G	79.6	Confident	89.7	Confident	48 Å²	48	54.6 Å²	54.6	50%	0.495	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	31.3	174.4	0	0	0	0	0	114.6	P513 S514 L518	P513-G516 PolarHBondContact O-N 2.83Å; S514-G516 VanDerWaalsContact C-N 3.3Å; S514-G516 PolarHBondContact O-N 2.78Å; G516-L518 PolarHBondContact O-N 2.85Å; G516-L518 VanDerWaalsContact O-N 3.17Å
517	F	78.3	Confident	89.7	Confident	203 Å²	203	54.3 Å²	54.3	89%	0.89	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	13.1	-174.5	-52	-79.3	0	0	0	115.5	C515	C515-F517 PolarHBondContact O-N 2.88Å; C515-F517 VanDerWaalsContact O-N 3.16Å
518	L	86.7	Confident	89.6	Confident	51 Å²	51	50.7 Å²	50.7	27%	0.267	28%	0.28	S	S	.	.			trans	-79	137.9	171.4	-62.7	179.8	0	0	0	109.9	F7 C515 G516 F523	F7-L518 HydrophobicContact CD1-CD2 4.1Å; F7-L518 HydrophobicContact CE1-CD2 3.61Å; C515-L518 WeakPolarHBondContact O-CB 3.3Å; C515-L518 PolarHBondContact O-N 2.98Å; G516-L518 PolarHBondContact O-N 2.85Å; G516-L518 VanDerWaalsContact O-N 3.17Å; L518-F523 HydrophobicContact CB-CD2 4.17Å; L518-F523 HydrophobicContact CB-CE2 3.55Å; L518-F523 HydrophobicContact CB-CZ 3.92Å; L518-F523 HydrophobicContact CD1-CE1 4.49Å; L518-F523 HydrophobicContact CD1-CZ 4.21Å
519	D	91.3	Very high	89.7	Confident	33 Å²	33	52.5 Å²	52.5	18%	0.176	28%	0.281	C	S	.	.			trans	-84	164.4	173.4	70.5	-2.2	0	0	0	111.6	Q510 N521 S522 F523	Q510-D519 VanDerWaalsContact OE1-CA 3.25Å; D519-N521 PolarHBondContact O-N 3.28Å; D519-S522 WeakPolarHBondContact O-CB 3.5Å; D519-S522 PolarHBondContact O-N 3.14Å; D519-S522 VanDerWaalsContact O-N 3.07Å; D519-S522 VanDerWaalsContact OD1-CB 3.23Å; D519-S522 WeakPolarHBondContact OD1-CB 3.36Å; D519-S522 PolarHBondContact OD1-N 3.29Å; D519-S522 PolarHBondContact OD1-OG 3.49Å; D519-F523 VanDerWaalsContact O-CD2 3.25Å; D519-F523 WeakPolarHBondContact O-CD2 3.24Å; D519-F523 PolarHBondContact O-N 3.42Å
520	L	92.3	Very high	89.9	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-54.9	-40	179.3	175.6	59.2	0	0	0	112.1	L406 F410 L433 F434 L493 F502 V506 S522 F523 L524	L406-L520 HydrophobicContact CD1-CD1 4.12Å; F410-L520 HydrophobicContact CB-CD1 4.22Å; F410-L520 HydrophobicContact CD1-CB 4.35Å; F410-L520 HydrophobicContact CD1-CD1 3.7Å; F410-L520 HydrophobicContact CD1-CG 4.42Å; F410-L520 HydrophobicContact CE1-CB 4.01Å; F410-L520 HydrophobicContact CE1-CD1 4.16Å; F410-L520 HydrophobicContact CG-CD1 3.96Å; L433-L520 HydrophobicContact CD2-CD2 4.35Å; F434-L520 HydrophobicContact CE1-CD1 4.33Å; L493-L520 HydrophobicContact CD1-CD2 4.11Å; F502-L520 HydrophobicContact CZ-CD2 3.96Å; V506-L520 HydrophobicContact CG1-CB 4.14Å; V506-L520 HydrophobicContact CG2-CD2 4.13Å; L520-S522 VanDerWaalsContact C-N 3.3Å; L520-S522 PolarHBondContact O-N 3.03Å; L520-F523 PolarHBondContact O-N 3.32Å; L520-F523 VanDerWaalsContact O-N 3.15Å; L520-L524 HydrophobicContact CD1-CD1 4.32Å; L520-L524 HydrophobicContact CD1-CG 4.18Å; L520-L524 HydrophobicContact CG-CD1 4.11Å; L520-L524 HydrophobicContact CG-CG 4.4Å; L520-L524 WeakPolarHBondContact O-CG 3.33Å; L520-L524 PolarHBondContact O-N 3.46Å
521	N	92.8	Very high	89.8	Confident	60 Å²	60	50 Å²	50	32%	0.321	27%	0.269	S	S	.	.	H	α-helix	trans	-60.3	-41.3	178.9	-170.2	47.9	0	0	0	111.7	L493 D519 F523 L524 L525	L493-N521 HydrophobicContact CD2-CB 3.85Å; L493-N521 WeakPolarHBondContact CD2-OD1 3.15Å; D519-N521 PolarHBondContact O-N 3.28Å; N521-F523 VanDerWaalsContact C-N 3.3Å; N521-F523 PolarHBondContact O-N 3.29Å; N521-L524 PolarHBondContact O-N 3.09Å; N521-L525 WeakPolarHBondContact O-CG 3.43Å; N521-L525 PolarHBondContact O-N 3.22Å
522	S	92.4	Very high	89.8	Confident	17 Å²	17	45.7 Å²	45.7	12%	0.119	25%	0.253	C	S	.	.	H	α-helix	trans	-59.8	-41.2	176	-60.2	0	0	0	0	112.1	F7 D519 L520 L525	F7-S522 WeakPolarHBondContact CZ-OG 3.29Å; D519-S522 WeakPolarHBondContact O-CB 3.5Å; D519-S522 PolarHBondContact O-N 3.14Å; D519-S522 VanDerWaalsContact O-N 3.07Å; D519-S522 VanDerWaalsContact OD1-CB 3.23Å; D519-S522 WeakPolarHBondContact OD1-CB 3.36Å; D519-S522 PolarHBondContact OD1-N 3.29Å; D519-S522 PolarHBondContact OD1-OG 3.49Å; L520-S522 VanDerWaalsContact C-N 3.3Å; L520-S522 PolarHBondContact O-N 3.03Å; S522-L525 PolarHBondContact O-N 3.5Å
523	F	94.6	Very high	90.2	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	25%	0.247	C	C	.	.	H	α-helix	trans	-66.7	-38.5	176.4	-74.1	-81.3	0	0	0	112.7	T402 I405 L406 F410 L518 D519 L520 N521 L525 L526	T402-F523 HydrophobicContact CG2-CD1 3.66Å; T402-F523 HydrophobicContact CG2-CE1 3.4Å; T402-F523 HydrophobicContact CG2-CZ 4.48Å; I405-F523 HydrophobicContact CB-CE1 4.1Å; I405-F523 HydrophobicContact CG2-CE1 3.81Å; I405-F523 HydrophobicContact CG2-CZ 3.77Å; L406-F523 HydrophobicContact CB-CB 4.25Å; L406-F523 HydrophobicContact CB-CD1 4.05Å; L406-F523 HydrophobicContact CB-CG 4.42Å; L406-F523 HydrophobicContact CD1-CB 3.78Å; L406-F523 HydrophobicContact CD1-CG 4.5Å; L406-F523 HydrophobicContact CD2-CB 4.16Å; L406-F523 HydrophobicContact CG-CB 4.28Å; F410-F523 AromaticContact CE2-CD2 3.87Å; F410-F523 HydrophobicContact CE2-CD2 3.87Å; F410-F523 AromaticContact CE2-CE2 3.82Å; F410-F523 HydrophobicContact CE2-CE2 3.82Å; F410-F523 HydrophobicContact CE2-CZ 4.47Å; F410-F523 HydrophobicContact CZ-CD2 4.24Å; F410-F523 HydrophobicContact CZ-CE2 4.22Å; L518-F523 HydrophobicContact CB-CD2 4.17Å; L518-F523 HydrophobicContact CB-CE2 3.55Å; L518-F523 HydrophobicContact CB-CZ 3.92Å; L518-F523 HydrophobicContact CD1-CE1 4.49Å; L518-F523 HydrophobicContact CD1-CZ 4.21Å; D519-F523 VanDerWaalsContact O-CD2 3.25Å; D519-F523 WeakPolarHBondContact O-CD2 3.24Å; D519-F523 PolarHBondContact O-N 3.42Å; L520-F523 PolarHBondContact O-N 3.32Å; L520-F523 VanDerWaalsContact O-N 3.15Å; N521-F523 VanDerWaalsContact C-N 3.3Å; N521-F523 PolarHBondContact O-N 3.29Å; F523-L525 PolarHBondContact O-N 3.26Å; F523-L526 HydrophobicContact CB-CD1 4.31Å; F523-L526 HydrophobicContact CD1-CD1 3.82Å; F523-L526 HydrophobicContact CG-CD1 4.45Å; F523-L526 WeakPolarHBondContact O-CB 3.43Å; F523-L526 WeakPolarHBondContact O-CD1 3.3Å; F523-L526 VanDerWaalsContact O-CG 3.3Å; F523-L526 WeakPolarHBondContact O-CG 3.4Å; F523-L526 PolarHBondContact O-N 3.2Å
524	L	94.7	Very high	90.7	Very high	8 Å²	8	39 Å²	39	4%	0.042	21%	0.207	C	C	.	.	H	α-helix	trans	-68.4	-21.3	179	-65.3	175.4	0	0	0	113.1	L433 F434 Y482 L493 L520 N521	L433-L524 HydrophobicContact CD1-CD1 3.69Å; L433-L524 HydrophobicContact CG-CD1 4.3Å; F434-L524 HydrophobicContact CD1-CD2 4.06Å; F434-L524 HydrophobicContact CE1-CD2 4.34Å; Y482-L524 WeakPolarHBondContact CE1-O 3.39Å; Y482-L524 PolarHBondContact OH-O 2.98Å; L493-L524 HydrophobicContact CD2-CD1 4.34Å; L520-L524 HydrophobicContact CD1-CD1 4.32Å; L520-L524 HydrophobicContact CD1-CG 4.18Å; L520-L524 HydrophobicContact CG-CD1 4.11Å; L520-L524 HydrophobicContact CG-CG 4.4Å; L520-L524 WeakPolarHBondContact O-CG 3.33Å; L520-L524 PolarHBondContact O-N 3.46Å; N521-L524 PolarHBondContact O-N 3.09Å
525	L	94.1	Very high	91.2	Very high	48 Å²	48	41 Å²	41	25%	0.251	21%	0.208	S	C	.	.	H	α-helix	trans	-83.4	-14.4	177	-68.2	171.6	0	0	0	113.8	N521 S522 F523 M528 Q529	N521-L525 WeakPolarHBondContact O-CG 3.43Å; N521-L525 PolarHBondContact O-N 3.22Å; S522-L525 PolarHBondContact O-N 3.5Å; F523-L525 PolarHBondContact O-N 3.26Å; L525-M528 HydrophobicContact CD2-CE 4.06Å; L525-M528 PolarHBondContact O-N 3.13Å; L525-Q529 WeakPolarHBondContact O-CG 3.45Å; L525-Q529 PolarHBondContact O-N 3.44Å; L525-Q529 VanDerWaalsContact O-N 3.12Å
526	L	93.5	Very high	91.7	Very high	25 Å²	25	44.8 Å²	44.8	13%	0.131	23%	0.227	C	C	.	.	H	α-helix	trans	-58	-44.1	-172.3	-62	166.7	0	0	0	113.8	Y399 T402 F523 M528 Q529 R530	Y399-L526 HydrophobicContact CD2-CB 4.37Å; Y399-L526 HydrophobicContact CE2-CB 3.9Å; T402-L526 HydrophobicContact CG2-CD1 3.28Å; T402-L526 HydrophobicContact CG2-CD2 4.27Å; T402-L526 HydrophobicContact CG2-CG 4.42Å; F523-L526 HydrophobicContact CB-CD1 4.31Å; F523-L526 HydrophobicContact CD1-CD1 3.82Å; F523-L526 HydrophobicContact CG-CD1 4.45Å; F523-L526 WeakPolarHBondContact O-CB 3.43Å; F523-L526 WeakPolarHBondContact O-CD1 3.3Å; F523-L526 VanDerWaalsContact O-CG 3.3Å; F523-L526 WeakPolarHBondContact O-CG 3.4Å; F523-L526 PolarHBondContact O-N 3.2Å; L526-M528 PolarHBondContact O-N 2.99Å; L526-Q529 PolarHBondContact O-N 3.2Å; L526-R530 WeakPolarHBondContact O-CB 3.34Å; L526-R530 PolarHBondContact O-N 3.21Å
527	P	93.8	Very high	92.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-40.2	-179.3	-25.3	37.8	0	0	0	113.2	Y399 L403 I437 I440 Y479 Y482 R530 V531	Y399-P527 WeakPolarHBondContact OH-CA 3.46Å; L403-P527 HydrophobicContact CD2-CG 4.44Å; I437-P527 HydrophobicContact CD1-CG 3.71Å; I440-P527 HydrophobicContact CG2-CB 4.15Å; I440-P527 HydrophobicContact CG2-CG 4.12Å; Y479-P527 HydrophobicContact CD1-CB 3.96Å; Y479-P527 HydrophobicContact CE1-CB 3.93Å; Y482-P527 HydrophobicContact CD1-CB 3.68Å; Y482-P527 HydrophobicContact CD1-CG 3.96Å; Y482-P527 HydrophobicContact CE1-CB 3.8Å; Y482-P527 HydrophobicContact CE1-CG 3.6Å; Y482-P527 HydrophobicContact CE2-CG 4.26Å; Y482-P527 HydrophobicContact CG-CB 4.18Å; Y482-P527 HydrophobicContact CG-CG 4.41Å; P527-R530 PolarHBondContact O-N 3.25Å; P527-V531 PolarHBondContact O-N 2.68Å
528	M	89.8	Confident	93.4	Very high	30 Å²	30	33 Å²	33	15%	0.148	16%	0.162	C	C	.	.	H	α-helix	trans	-64.6	-41.6	176.5	-175.4	-177.8	74.9	0	0	111.3	D291 V483 Q486 L525 L526 R530	D291-M528 VanDerWaalsContact OD1-CE 3.24Å; D291-M528 WeakPolarHBondContact OD1-CE 3.29Å; V483-M528 HydrophobicContact CG2-CB 4.22Å; V483-M528 HydrophobicContact CG2-CG 4.33Å; Q486-M528 PolarHBondContact NE2-SD 2.78Å; Q486-M528 PolarHBondContact OE1-SD 3.05Å; L525-M528 HydrophobicContact CD2-CE 4.06Å; L525-M528 PolarHBondContact O-N 3.13Å; L526-M528 PolarHBondContact O-N 2.99Å; M528-R530 VanDerWaalsContact C-N 3.35Å
529	Q	93.1	Very high	93.8	Very high	98 Å²	98	32.8 Å²	32.8	46%	0.458	16%	0.163	S	C	.	.	H	α-helix	trans	-64.9	-39.3	176.4	-68.6	173.1	-13.6	0	0	111.7	L525 L526 V531 T532 R533	L525-Q529 WeakPolarHBondContact O-CG 3.45Å; L525-Q529 PolarHBondContact O-N 3.44Å; L525-Q529 VanDerWaalsContact O-N 3.12Å; L526-Q529 PolarHBondContact O-N 3.2Å; Q529-V531 PolarHBondContact O-N 3.38Å; Q529-T532 PolarHBondContact O-N 3.04Å; Q529-T532 PolarHBondContact O-OG1 3.22Å; Q529-R533 PolarHBondContact O-N 3.49Å
530	R	95.6	Very high	94	Very high	10 Å²	10	32.8 Å²	32.8	4%	0.038	17%	0.168	C	C	.	.	H	α-helix	trans	-59.8	-48.7	-176.4	-178.2	60.5	-178.9	159.3	3.3	112.3	S395 E396 Y399 L526 P527 M528 T532 R533 L534	S395-R530 PolarHBondContact OG-NH1 3.44Å; S395-R530 PolarHBondContact OG-NH2 3.23Å; E396-R530 IonicContact OE2-CZ 3.99Å; E396-R530 IonicContact OE2-NE 3.95Å; E396-R530 PolarHBondContact OE2-NE 3.03Å; E396-R530 IonicContact OE2-NH2 2.76Å; E396-R530 PolarHBondContact OE2-NH2 2.77Å; Y399-R530 HydrophobicContact CD1-CB 4.49Å; Y399-R530 HydrophobicContact CD1-CG 3.82Å; Y399-R530 HydrophobicContact CD2-CB 4.17Å; Y399-R530 HydrophobicContact CD2-CG 4.32Å; Y399-R530 HydrophobicContact CE1-CB 4.15Å; Y399-R530 HydrophobicContact CE1-CG 3.68Å; Y399-R530 HydrophobicContact CE2-CB 3.8Å; Y399-R530 HydrophobicContact CE2-CG 4.19Å; Y399-R530 HydrophobicContact CG-CB 4.49Å; Y399-R530 HydrophobicContact CG-CG 4.13Å; L526-R530 WeakPolarHBondContact O-CB 3.34Å; L526-R530 PolarHBondContact O-N 3.21Å; P527-R530 PolarHBondContact O-N 3.25Å; M528-R530 VanDerWaalsContact C-N 3.35Å; R530-T532 VanDerWaalsContact C-N 3.28Å; R530-T532 PolarHBondContact O-N 2.73Å; R530-R533 PolarHBondContact O-N 3.06Å; R530-L534 PolarHBondContact O-N 3.34Å; R530-L534 VanDerWaalsContact O-N 3.11Å
531	V	90.8	Very high	94.2	Very high	5 Å²	5	32.7 Å²	32.7	3%	0.03	17%	0.167	C	C	.	.	H	α-helix	trans	-58.3	-43.2	-178.9	-177.2	0	0	0	0	110.7	Y479 P527 Q529 R533 L565 I566	Y479-V531 HydrophobicContact CD1-CG2 3.49Å; Y479-V531 VanDerWaalsContact CD1-CG2 3.49Å; Y479-V531 HydrophobicContact CD2-CG2 4.21Å; Y479-V531 HydrophobicContact CE1-CG2 4.13Å; Y479-V531 HydrophobicContact CG-CG2 3.55Å; P527-V531 PolarHBondContact O-N 2.68Å; Q529-V531 PolarHBondContact O-N 3.38Å; V531-R533 PolarHBondContact O-N 3.2Å; V531-L565 HydrophobicContact CG1-CD2 3.76Å; V531-L565 HydrophobicContact CG1-CG 4.11Å; V531-I566 HydrophobicContact CG1-CD1 4.47Å; V531-I566 HydrophobicContact CG1-CG1 3.59Å
532	T	91.7	Very high	94.3	Very high	53 Å²	53	30.2 Å²	30.2	33%	0.325	15%	0.154	S	C	.	.	H	α-helix	trans	-71.2	-28.4	178.1	65.8	0	0	0	0	113.6	Q529 R530 R535	Q529-T532 PolarHBondContact O-N 3.04Å; Q529-T532 PolarHBondContact O-OG1 3.22Å; R530-T532 VanDerWaalsContact C-N 3.28Å; R530-T532 PolarHBondContact O-N 2.73Å; T532-R535 WeakPolarHBondContact O-CB 3.48Å
533	R	95.3	Very high	94.3	Very high	74 Å²	74	35.3 Å²	35.3	28%	0.279	18%	0.175	S	C	.	.	H	α-helix	trans	-71.2	-37.8	177.1	179.6	60.5	-178.4	170.9	3.6	112.3	E391 Q529 R530 V531 R535 L536 L537	E391-R533 IonicContact OE1-CZ 3.37Å; E391-R533 IonicContact OE1-NH2 2.73Å; E391-R533 PolarHBondContact OE1-NH2 3.18Å; Q529-R533 PolarHBondContact O-N 3.49Å; R530-R533 PolarHBondContact O-N 3.06Å; V531-R533 PolarHBondContact O-N 3.2Å; R533-R535 PolarHBondContact O-N 2.97Å; R533-L536 WeakPolarHBondContact O-CB 3.42Å; R533-L536 PolarHBondContact O-N 3.28Å; R533-L537 HydrophobicContact CG-CD1 4.13Å; R533-L537 HydrophobicContact CG-CG 4.37Å; R533-L537 PolarHBondContact O-N 3.09Å; R533-L537 VanDerWaalsContact O-N 3.13Å
534	L	96.2	Very high	94.3	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	19%	0.187	C	C	.	.	H	α-helix	trans	-56.8	-39.2	179.6	-75.3	172.4	0	0	0	112.6	F447 F476 R530 L536 L537 L538 I562	F447-L534 HydrophobicContact CE1-CD2 4.46Å; F476-L534 HydrophobicContact CD2-CD1 4.49Å; F476-L534 HydrophobicContact CE2-CD1 3.61Å; F476-L534 HydrophobicContact CZ-CD1 4.21Å; R530-L534 PolarHBondContact O-N 3.34Å; R530-L534 VanDerWaalsContact O-N 3.11Å; L534-L536 VanDerWaalsContact C-N 3.32Å; L534-L536 PolarHBondContact O-N 3.4Å; L534-L537 HydrophobicContact CD2-CD1 4.43Å; L534-L537 PolarHBondContact O-N 3.38Å; L534-L538 PolarHBondContact O-N 2.96Å; L534-I562 HydrophobicContact CB-CD1 4.18Å; L534-I562 HydrophobicContact CB-CG2 4.45Å; L534-I562 HydrophobicContact CD1-CD1 3.96Å
535	R	94.5	Very high	94.3	Very high	90 Å²	90	38.4 Å²	38.4	34%	0.34	19%	0.189	S	C	.	.	H	α-helix	trans	-54.8	-44.5	172.8	-168.5	-169.2	91.4	92.3	-6	112.9	T532 R533 T539 L559 I562 E563 I566	T532-R535 WeakPolarHBondContact O-CB 3.48Å; R533-R535 PolarHBondContact O-N 2.97Å; R535-T539 PolarHBondContact O-N 3.43Å; R535-T539 PolarHBondContact O-OG1 3.4Å; R535-L559 HydrophobicContact CG-CD1 4.06Å; R535-I562 HydrophobicContact CB-CG2 4.02Å; R535-E563 WeakPolarHBondContact CD-OE1 3.09Å; R535-E563 HydrophobicContact CG-CG 4.37Å; R535-E563 WeakPolarHBondContact CG-OE1 3.15Å; R535-E563 IonicContact CZ-OE1 3.07Å; R535-E563 IonicContact NE-OE1 2.72Å; R535-E563 IonicContact NH1-OE1 3.31Å; R535-E563 PolarHBondContact NH1-OE1 2.94Å; R535-I566 HydrophobicContact CB-CD1 4.1Å; R535-I566 HydrophobicContact CG-CD1 4.26Å
536	L	94.9	Very high	94.2	Very high	81 Å²	81	39.4 Å²	39.4	42%	0.424	20%	0.198	S	C	.	.	H	α-helix	trans	-68.9	-40	179.4	-59.7	178.2	0	0	0	111.6	R533 L534 T539 A540	R533-L536 WeakPolarHBondContact O-CB 3.42Å; R533-L536 PolarHBondContact O-N 3.28Å; L534-L536 VanDerWaalsContact C-N 3.32Å; L534-L536 PolarHBondContact O-N 3.4Å; L536-T539 PolarHBondContact O-N 3.12Å; L536-A540 PolarHBondContact O-N 3.17Å
537	L	96.5	Very high	94	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	22%	0.221	C	C	.	.	H	α-helix	trans	-64.6	-44.6	177.7	-65.3	168.7	0	0	0	111.1	E391 V392 S395 R533 L534 T539 A540 I541	E391-L537 HydrophobicContact CB-CD2 4.42Å; E391-L537 HydrophobicContact CG-CD2 3.89Å; E391-L537 VanDerWaalsContact OE1-CD2 3.28Å; E391-L537 WeakPolarHBondContact OE1-CD2 3.49Å; V392-L537 HydrophobicContact CG2-CB 4.13Å; S395-L537 VanDerWaalsContact OG-CD1 3.3Å; S395-L537 WeakPolarHBondContact OG-CD1 3.28Å; R533-L537 HydrophobicContact CG-CD1 4.13Å; R533-L537 HydrophobicContact CG-CG 4.37Å; R533-L537 PolarHBondContact O-N 3.09Å; R533-L537 VanDerWaalsContact O-N 3.13Å; L534-L537 HydrophobicContact CD2-CD1 4.43Å; L534-L537 PolarHBondContact O-N 3.38Å; L537-T539 VanDerWaalsContact C-N 3.34Å; L537-T539 PolarHBondContact O-N 3.27Å; L537-A540 WeakPolarHBondContact O-CB 3.43Å; L537-A540 PolarHBondContact O-N 2.96Å; L537-I541 WeakPolarHBondContact O-CG1 3.36Å; L537-I541 PolarHBondContact O-N 2.97Å
538	L	96.8	Very high	93.8	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-62.6	-39.9	174.6	-78.2	167.6	0	0	0	112.4	I468 L534 A540 I541 L542 A558 L559 I562	I468-L538 HydrophobicContact CD1-CD2 3.87Å; I468-L538 HydrophobicContact CD1-CG 4.49Å; I468-L538 HydrophobicContact CG2-CD1 4.22Å; L534-L538 PolarHBondContact O-N 2.96Å; L538-A540 VanDerWaalsContact C-N 3.28Å; L538-A540 PolarHBondContact O-N 3.13Å; L538-I541 HydrophobicContact CD2-CD1 4.37Å; L538-I541 PolarHBondContact O-N 3.4Å; L538-L542 WeakPolarHBondContact O-CG 3.4Å; L538-L542 PolarHBondContact O-N 3.38Å; L538-A558 HydrophobicContact CD1-CB 4.11Å; L538-A558 HydrophobicContact CD2-CB 3.97Å; L538-L559 HydrophobicContact CB-CD1 4.25Å; L538-I562 HydrophobicContact CD1-CB 4.43Å; L538-I562 HydrophobicContact CD1-CG1 3.89Å
539	T	94.7	Very high	93.8	Very high	45 Å²	45	52.2 Å²	52.2	28%	0.276	27%	0.265	S	S	.	.	H	α-helix	trans	-62	-38.8	175.6	-54.2	0	0	0	0	111.3	R535 L536 L537 L542 H543 L865	R535-T539 PolarHBondContact O-N 3.43Å; R535-T539 PolarHBondContact O-OG1 3.4Å; L536-T539 PolarHBondContact O-N 3.12Å; L537-T539 VanDerWaalsContact C-N 3.34Å; L537-T539 PolarHBondContact O-N 3.27Å; T539-L542 PolarHBondContact O-N 3.27Å; T539-H543 PolarHBondContact O-N 2.92Å; T539-L865 HydrophobicContact CG2-CD2 4.46Å
540	A	95.1	Very high	93.7	Very high	34 Å²	34	52.6 Å²	52.6	28%	0.281	27%	0.274	S	S	.	.	H	α-helix	trans	-66.2	-40.2	174.9	0	0	0	0	0	112.3	L536 L537 L538 H543 Y544	L536-A540 PolarHBondContact O-N 3.17Å; L537-A540 WeakPolarHBondContact O-CB 3.43Å; L537-A540 PolarHBondContact O-N 2.96Å; L538-A540 VanDerWaalsContact C-N 3.28Å; L538-A540 PolarHBondContact O-N 3.13Å; A540-H543 WeakPolarHBondContact O-CB 3.48Å; A540-H543 PolarHBondContact O-N 2.99Å; A540-Y544 WeakPolarHBondContact O-CD2 3.15Å
541	I	96.3	Very high	93.6	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-60.8	-49.9	174.2	-67.8	160.7	0	0	0	110.4	L385 A388 L389 V392 L537 L538 H543 Y544 A545 T551	L385-I541 HydrophobicContact CD1-CG2 4.02Å; A388-I541 HydrophobicContact CB-CG1 4.1Å; L389-I541 HydrophobicContact CD2-CD1 4.04Å; L389-I541 HydrophobicContact CD2-CG1 4.19Å; L389-I541 HydrophobicContact CD2-CG2 3.91Å; V392-I541 HydrophobicContact CG2-CD1 3.6Å; L537-I541 WeakPolarHBondContact O-CG1 3.36Å; L537-I541 PolarHBondContact O-N 2.97Å; L538-I541 HydrophobicContact CD2-CD1 4.37Å; L538-I541 PolarHBondContact O-N 3.4Å; I541-H543 PolarHBondContact O-N 3.16Å; I541-Y544 PolarHBondContact O-N 3.16Å; I541-Y544 VanDerWaalsContact O-N 3.12Å; I541-A545 WeakPolarHBondContact O-CB 3.32Å; I541-A545 PolarHBondContact O-N 3.47Å; I541-T551 HydrophobicContact CG2-CG2 4.09Å
542	L	95.4	Very high	93.8	Very high	8 Å²	8	53.3 Å²	53.3	4%	0.042	28%	0.278	C	S	.	.	H	α-helix	trans	-63	-28.1	-179.7	-71.6	171.5	0	0	0	113.3	L538 T539 Y544 Y552 L556 L559 L865	L538-L542 WeakPolarHBondContact O-CG 3.4Å; L538-L542 PolarHBondContact O-N 3.38Å; T539-L542 PolarHBondContact O-N 3.27Å; L542-Y544 VanDerWaalsContact C-N 3.34Å; L542-Y552 HydrophobicContact CB-CE2 4.3Å; L542-Y552 HydrophobicContact CD2-CD2 3.61Å; L542-Y552 HydrophobicContact CD2-CE2 3.88Å; L542-Y552 HydrophobicContact CD2-CG 4.13Å; L542-Y552 WeakPolarHBondContact CD2-O 3.19Å; L542-L556 HydrophobicContact CD1-CD2 4.19Å; L542-L556 HydrophobicContact CD2-CD2 4.38Å; L542-L556 HydrophobicContact CD2-CG 4.17Å; L542-L559 HydrophobicContact CD1-CB 4.17Å; L542-L559 HydrophobicContact CD1-CD2 3.68Å; L542-L865 HydrophobicContact CD1-CD1 4.37Å
543	H	94	Very high	94	Very high	125 Å²	125	55.2 Å²	55.2	58%	0.579	28%	0.284	S	S	*	.	H	α-helix	trans	-65.2	-36	175.2	175.7	-85.3	0	0	0	112.8	T539 A540 I541	T539-H543 PolarHBondContact O-N 2.92Å; A540-H543 WeakPolarHBondContact O-CB 3.48Å; A540-H543 PolarHBondContact O-N 2.99Å; I541-H543 PolarHBondContact O-N 3.16Å
544	Y	93.9	Very high	93.9	Very high	65 Å²	65	51.9 Å²	51.9	26%	0.255	27%	0.271	S	S	.	.	H	α-helix	trans	-99.4	-17.1	-178.4	-60.6	-64.6	0	0	0	113.8	K384 A388 A540 I541 L542	K384-Y544 HydrophobicContact CB-CD1 3.99Å; K384-Y544 HydrophobicContact CB-CD2 4.35Å; K384-Y544 HydrophobicContact CB-CE1 4.04Å; K384-Y544 HydrophobicContact CB-CE2 4.4Å; K384-Y544 HydrophobicContact CB-CG 4.14Å; K384-Y544 HydrophobicContact CD-CD1 4.37Å; K384-Y544 HydrophobicContact CD-CE1 3.82Å; A388-Y544 HydrophobicContact CB-CD2 4.31Å; A540-Y544 WeakPolarHBondContact O-CD2 3.15Å; I541-Y544 PolarHBondContact O-N 3.16Å; I541-Y544 VanDerWaalsContact O-N 3.12Å; L542-Y544 VanDerWaalsContact C-N 3.34Å
545	A	93.9	Very high	94	Very high	8 Å²	8	51.7 Å²	51.7	7%	0.066	27%	0.271	C	S	.	.	S	Bend	trans	-72.8	135.6	179.8	0	0	0	0	0	111.6	L385 I541 K547 T551 Y552	L385-A545 HydrophobicContact CD1-CB 4Å; L385-A545 HydrophobicContact CD2-CB 4.49Å; I541-A545 WeakPolarHBondContact O-CB 3.32Å; I541-A545 PolarHBondContact O-N 3.47Å; A545-K547 PolarHBondContact O-N 3.1Å; A545-T551 HydrophobicContact CB-CG2 4.42Å; A545-Y552 HydrophobicContact CB-CD2 4.16Å
546	P	92.9	Very high	94.1	Very high	70 Å²	70	47.5 Å²	47.5	46%	0.455	26%	0.255	S	S	.	.			trans	-67	133.6	175.9	27.3	-32.9	0	0	0	110.3	N548 G549 Y552	P546-N548 PolarHBondContact O-N 2.94Å; P546-N548 VanDerWaalsContact O-N 3.11Å; P546-G549 WeakPolarHBondContact O-CA 3.21Å; P546-G549 PolarHBondContact O-N 2.97Å; P546-Y552 WeakPolarHBondContact O-CB 3.27Å
547	K	89.8	Confident	94.2	Very high	139 Å²	139	44.1 Å²	44.1	60%	0.604	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-33	-175	-66.1	-168.3	174.3	-165.2	0	114.6	A545 G549 Y552 Q553	A545-K547 PolarHBondContact O-N 3.1Å; K547-G549 VanDerWaalsContact C-N 3.27Å; K547-G549 PolarHBondContact O-N 3.38Å; K547-Y552 HydrophobicContact CB-CD1 4.38Å; K547-Y552 HydrophobicContact CB-CE1 4.3Å; K547-Y552 HydrophobicContact CG-CE1 4.25Å; K547-Y552 HydrophobicContact CG-CE2 4.37Å; K547-Y552 WeakPolarHBondContact O-CD1 3.42Å; K547-Q553 PolarHBondContact O-NE2 2.93Å
548	N	88	Confident	94.2	Very high	166 Å²	166	44 Å²	44	89%	0.888	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	1	179.4	-59.3	-5.5	0	0	0	112.8	P546	P546-N548 PolarHBondContact O-N 2.94Å; P546-N548 VanDerWaalsContact O-N 3.11Å
549	G	90.2	Very high	94.2	Very high	19 Å²	19	44 Å²	44	20%	0.196	24%	0.237	C	C	.	.	S	Bend	trans	-89.3	152.3	-176.2	0	0	0	0	0	113.4	P546 K547 T551 Y552 Q553	P546-G549 WeakPolarHBondContact O-CA 3.21Å; P546-G549 PolarHBondContact O-N 2.97Å; K547-G549 VanDerWaalsContact C-N 3.27Å; K547-G549 PolarHBondContact O-N 3.38Å; G549-T551 VanDerWaalsContact C-N 3.27Å; G549-T551 PolarHBondContact O-N 2.93Å; G549-Y552 WeakPolarHBondContact O-CB 3.43Å; G549-Y552 PolarHBondContact O-N 3.18Å; G549-Y552 VanDerWaalsContact O-N 3.11Å; G549-Q553 PolarHBondContact O-N 2.85Å
550	V	91.4	Very high	94.3	Very high	105 Å²	105	42.2 Å²	42.2	64%	0.636	23%	0.227	S	C	*	.	H	α-helix	trans	-59.2	-39	176.8	-178.4	0	0	0	0	111.4	Y552 Q553 S554	V550-Y552 VanDerWaalsContact C-N 3.28Å; V550-Y552 PolarHBondContact O-N 2.78Å; V550-Q553 PolarHBondContact O-N 3.37Å; V550-S554 WeakPolarHBondContact O-CB 3.4Å; V550-S554 PolarHBondContact O-N 3.44Å; V550-S554 PolarHBondContact O-OG 3.41Å
551	T	93.4	Very high	94.3	Very high	20 Å²	20	40.6 Å²	40.6	12%	0.123	21%	0.213	C	C	.	.	H	α-helix	trans	-61.8	-35.1	177.4	-50	0	0	0	0	112.3	L389 P462 I541 A545 G549 S554 G555	L389-T551 HydrophobicContact CD2-CG2 4.2Å; P462-T551 PolarHBondContact O-OG1 2.94Å; P462-T551 VanDerWaalsContact O-OG1 3.08Å; I541-T551 HydrophobicContact CG2-CG2 4.09Å; A545-T551 HydrophobicContact CB-CG2 4.42Å; G549-T551 VanDerWaalsContact C-N 3.27Å; G549-T551 PolarHBondContact O-N 2.93Å; T551-S554 WeakPolarHBondContact CA-OG 3.41Å; T551-S554 PolarHBondContact O-OG 3.13Å; T551-G555 WeakPolarHBondContact O-CA 3.46Å; T551-G555 PolarHBondContact O-N 3.3Å
552	Y	95.3	Very high	94.3	Very high	11 Å²	11	40.6 Å²	40.6	4%	0.043	21%	0.213	C	C	.	.	H	α-helix	trans	-69.8	-47.7	176.2	-171.6	-97.8	0	0	0	111.1	L542 A545 P546 K547 G549 V550 G555 L556 E868	L542-Y552 HydrophobicContact CB-CE2 4.3Å; L542-Y552 HydrophobicContact CD2-CD2 3.61Å; L542-Y552 HydrophobicContact CD2-CE2 3.88Å; L542-Y552 HydrophobicContact CD2-CG 4.13Å; L542-Y552 WeakPolarHBondContact CD2-O 3.19Å; A545-Y552 HydrophobicContact CB-CD2 4.16Å; P546-Y552 WeakPolarHBondContact O-CB 3.27Å; K547-Y552 HydrophobicContact CB-CD1 4.38Å; K547-Y552 HydrophobicContact CB-CE1 4.3Å; K547-Y552 HydrophobicContact CG-CE1 4.25Å; K547-Y552 HydrophobicContact CG-CE2 4.37Å; K547-Y552 WeakPolarHBondContact O-CD1 3.42Å; G549-Y552 WeakPolarHBondContact O-CB 3.43Å; G549-Y552 PolarHBondContact O-N 3.18Å; G549-Y552 VanDerWaalsContact O-N 3.11Å; V550-Y552 VanDerWaalsContact C-N 3.28Å; V550-Y552 PolarHBondContact O-N 2.78Å; Y552-G555 PolarHBondContact O-N 3.36Å; Y552-L556 HydrophobicContact CD1-CD1 3.81Å; Y552-L556 HydrophobicContact CD1-CG 4.28Å; Y552-L556 HydrophobicContact CE1-CD1 3.54Å; Y552-L556 HydrophobicContact CE1-CD2 4.47Å; Y552-L556 HydrophobicContact CE1-CG 4.08Å; Y552-L556 WeakPolarHBondContact O-CG 3.28Å; Y552-L556 PolarHBondContact O-N 3.46Å; Y552-E868 PolarHBondContact OH-OE2 2.67Å
553	Q	95	Very high	94.2	Very high	93 Å²	93	41.8 Å²	41.8	44%	0.435	22%	0.219	S	C	.	.	H	α-helix	trans	-62.2	-48.4	179.5	-63.5	-59.1	-40.6	0	0	112.5	K547 G549 V550 L556 V557	K547-Q553 PolarHBondContact O-NE2 2.93Å; G549-Q553 PolarHBondContact O-N 2.85Å; V550-Q553 PolarHBondContact O-N 3.37Å; Q553-L556 PolarHBondContact O-N 3.33Å; Q553-V557 WeakPolarHBondContact O-CG2 3.38Å; Q553-V557 PolarHBondContact O-N 3.39Å
554	S	95.1	Very high	94.2	Very high	3 Å²	3	41 Å²	41	2%	0.021	21%	0.214	C	C	.	.	H	α-helix	trans	-64.8	-37.8	174.4	54.9	0	0	0	0	112.3	C465 E466 V550 T551 L556 V557 A558	C465-S554 WeakPolarHBondContact CB-OG 3.46Å; E466-S554 WeakPolarHBondContact OE1-CB 3.31Å; V550-S554 WeakPolarHBondContact O-CB 3.4Å; V550-S554 PolarHBondContact O-N 3.44Å; V550-S554 PolarHBondContact O-OG 3.41Å; T551-S554 WeakPolarHBondContact CA-OG 3.41Å; T551-S554 PolarHBondContact O-OG 3.13Å; S554-L556 PolarHBondContact O-N 2.96Å; S554-V557 PolarHBondContact O-N 3.12Å; S554-A558 WeakPolarHBondContact O-CB 3.48Å; S554-A558 PolarHBondContact O-N 2.89Å
555	G	96.8	Very high	94.2	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.9	-38.5	175.4	0	0	0	0	0	113.2	T551 Y552 A558 L559	T551-G555 WeakPolarHBondContact O-CA 3.46Å; T551-G555 PolarHBondContact O-N 3.3Å; Y552-G555 PolarHBondContact O-N 3.36Å; G555-A558 PolarHBondContact O-N 2.92Å; G555-L559 WeakPolarHBondContact O-CB 3.22Å; G555-L559 PolarHBondContact O-N 3.08Å
556	L	96.6	Very high	94.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.203	C	C	.	.	H	α-helix	trans	-63.3	-45.9	175	-77.5	173.8	0	0	0	111.3	L542 Y552 Q553 S554 L559 A560 L865 E868 A869 A872	L542-L556 HydrophobicContact CD1-CD2 4.19Å; L542-L556 HydrophobicContact CD2-CD2 4.38Å; L542-L556 HydrophobicContact CD2-CG 4.17Å; Y552-L556 HydrophobicContact CD1-CD1 3.81Å; Y552-L556 HydrophobicContact CD1-CG 4.28Å; Y552-L556 HydrophobicContact CE1-CD1 3.54Å; Y552-L556 HydrophobicContact CE1-CD2 4.47Å; Y552-L556 HydrophobicContact CE1-CG 4.08Å; Y552-L556 WeakPolarHBondContact O-CG 3.28Å; Y552-L556 PolarHBondContact O-N 3.46Å; Q553-L556 PolarHBondContact O-N 3.33Å; S554-L556 PolarHBondContact O-N 2.96Å; L556-L559 PolarHBondContact O-N 2.89Å; L556-A560 PolarHBondContact O-N 3.4Å; L556-L865 HydrophobicContact CD2-CD1 3.79Å; L556-E868 HydrophobicContact CD1-CG 3.76Å; L556-E868 HydrophobicContact CD2-CB 4.47Å; L556-E868 HydrophobicContact CD2-CG 4.23Å; L556-A869 HydrophobicContact CD2-CB 4.03Å; L556-A869 WeakPolarHBondContact O-CB 3.5Å; L556-A872 HydrophobicContact CB-CB 3.95Å; L556-A872 HydrophobicContact CD1-CB 4.45Å
557	V	97.2	Very high	94	Very high	10 Å²	10	38 Å²	38	6%	0.061	20%	0.201	C	C	.	.	H	α-helix	trans	-61.4	-46.1	176.8	174.8	0	0	0	0	110.8	Y469 Q553 S554 L559 A560 S561 A872 Y873 R876	Y469-V557 HydrophobicContact CD2-CG1 3.51Å; Y469-V557 HydrophobicContact CE2-CG1 3.57Å; Y469-V557 HydrophobicContact CG-CG1 4.01Å; Q553-V557 WeakPolarHBondContact O-CG2 3.38Å; Q553-V557 PolarHBondContact O-N 3.39Å; S554-V557 PolarHBondContact O-N 3.12Å; V557-L559 PolarHBondContact O-N 3.25Å; V557-A560 PolarHBondContact O-N 3.34Å; V557-S561 PolarHBondContact O-N 3.31Å; V557-A872 HydrophobicContact CG2-CB 3.97Å; V557-Y873 HydrophobicContact CG1-CD2 4.31Å; V557-R876 HydrophobicContact CG1-CB 4.02Å; V557-R876 HydrophobicContact CG1-CG 3.85Å; V557-R876 HydrophobicContact CG2-CB 4.12Å
558	A	97.4	Very high	94.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-64.5	-37.2	177.4	0	0	0	0	0	112.7	C465 I468 L538 S554 G555 S561 I562	C465-A558 HydrophobicContact CB-CB 4.33Å; I468-A558 HydrophobicContact CB-CB 4.36Å; I468-A558 HydrophobicContact CG2-CB 4.2Å; L538-A558 HydrophobicContact CD1-CB 4.11Å; L538-A558 HydrophobicContact CD2-CB 3.97Å; S554-A558 WeakPolarHBondContact O-CB 3.48Å; S554-A558 PolarHBondContact O-N 2.89Å; G555-A558 PolarHBondContact O-N 2.92Å; A558-S561 WeakPolarHBondContact CA-OG 3.16Å; A558-S561 PolarHBondContact O-N 2.83Å; A558-S561 PolarHBondContact O-OG 2.95Å; A558-I562 WeakPolarHBondContact O-CG1 3.49Å; A558-I562 PolarHBondContact O-N 2.77Å
559	L	96.7	Very high	94.3	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-63.2	-47.6	176	178.6	62.2	0	0	0	110.6	R535 L538 L542 G555 L556 V557 S561 I562 E563 L865 M866 A869	R535-L559 HydrophobicContact CG-CD1 4.06Å; L538-L559 HydrophobicContact CB-CD1 4.25Å; L542-L559 HydrophobicContact CD1-CB 4.17Å; L542-L559 HydrophobicContact CD1-CD2 3.68Å; G555-L559 WeakPolarHBondContact O-CB 3.22Å; G555-L559 PolarHBondContact O-N 3.08Å; L556-L559 PolarHBondContact O-N 2.89Å; V557-L559 PolarHBondContact O-N 3.25Å; L559-S561 PolarHBondContact O-N 3.16Å; L559-I562 PolarHBondContact O-N 3.08Å; L559-E563 HydrophobicContact CD1-CG 4.26Å; L559-E563 HydrophobicContact CG-CG 4.49Å; L559-E563 VanDerWaalsContact O-CG 3.28Å; L559-E563 WeakPolarHBondContact O-CG 3.48Å; L559-E563 PolarHBondContact O-N 3.46Å; L559-L865 HydrophobicContact CD2-CD2 4.45Å; L559-L865 HydrophobicContact CD2-CG 4.41Å; L559-M866 HydrophobicContact CD2-CE 4.39Å; L559-A869 HydrophobicContact CB-CB 4.49Å; L559-A869 HydrophobicContact CD2-CB 4.28Å; L559-A869 HydrophobicContact CG-CB 4.49Å
560	A	95.6	Very high	94.1	Very high	8 Å²	8	27.7 Å²	27.7	7%	0.066	15%	0.145	C	C	.	.	H	α-helix	trans	-64.4	-36.8	178	0	0	0	0	0	113.1	L556 V557 E563 K564 A869 Y873	L556-A560 PolarHBondContact O-N 3.4Å; V557-A560 PolarHBondContact O-N 3.34Å; A560-E563 PolarHBondContact O-N 3.18Å; A560-K564 WeakPolarHBondContact O-CB 3.5Å; A560-K564 PolarHBondContact O-N 3.27Å; A560-A869 HydrophobicContact CB-CB 4.02Å; A560-A869 WeakPolarHBondContact CB-O 3.45Å; A560-Y873 HydrophobicContact CB-CD2 4.16Å; A560-Y873 HydrophobicContact CB-CG 4.02Å
561	S	96.7	Very high	93.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-64.9	-41	174.9	65	0	0	0	0	111.7	T472 V557 A558 L559 K564 L565	T472-S561 WeakPolarHBondContact CG2-O 3.32Å; V557-S561 PolarHBondContact O-N 3.31Å; A558-S561 WeakPolarHBondContact CA-OG 3.16Å; A558-S561 PolarHBondContact O-N 2.83Å; A558-S561 PolarHBondContact O-OG 2.95Å; L559-S561 PolarHBondContact O-N 3.16Å; S561-K564 PolarHBondContact O-N 3.16Å; S561-L565 PolarHBondContact O-N 3.16Å
562	I	96	Very high	93.7	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.8	-41.6	176.3	-70.1	-70.2	0	0	0	111.4	I468 T472 F476 L534 R535 L538 A558 L559 K564 L565 I566	I468-I562 HydrophobicContact CG2-CG1 4.45Å; T472-I562 HydrophobicContact CG2-CD1 3.82Å; T472-I562 HydrophobicContact CG2-CG1 4.26Å; T472-I562 VanDerWaalsContact OG1-CD1 3.24Å; T472-I562 WeakPolarHBondContact OG1-CD1 3.25Å; F476-I562 HydrophobicContact CD2-CD1 4.12Å; F476-I562 HydrophobicContact CE2-CD1 4.06Å; L534-I562 HydrophobicContact CB-CD1 4.18Å; L534-I562 HydrophobicContact CB-CG2 4.45Å; L534-I562 HydrophobicContact CD1-CD1 3.96Å; R535-I562 HydrophobicContact CB-CG2 4.02Å; L538-I562 HydrophobicContact CD1-CB 4.43Å; L538-I562 HydrophobicContact CD1-CG1 3.89Å; A558-I562 WeakPolarHBondContact O-CG1 3.49Å; A558-I562 PolarHBondContact O-N 2.77Å; L559-I562 PolarHBondContact O-N 3.08Å; I562-K564 VanDerWaalsContact C-N 3.33Å; I562-K564 PolarHBondContact O-N 3.17Å; I562-L565 HydrophobicContact CD1-CD2 4.48Å; I562-L565 WeakPolarHBondContact O-CB 3.32Å; I562-L565 PolarHBondContact O-N 3.48Å; I562-I566 HydrophobicContact CG2-CD1 3.88Å; I562-I566 HydrophobicContact CG2-CG1 4.43Å; I562-I566 WeakPolarHBondContact O-CG1 3.35Å; I562-I566 PolarHBondContact O-N 3.06Å
563	E	92.7	Very high	93.4	Very high	33 Å²	33	25.6 Å²	25.6	15%	0.154	13%	0.131	C	C	.	.	H	α-helix	trans	-65.9	-37.1	177.5	-69.7	-79.2	-168.5	0	0	111.8	R535 L559 A560 I566 S567 M866	R535-E563 WeakPolarHBondContact CD-OE1 3.09Å; R535-E563 HydrophobicContact CG-CG 4.37Å; R535-E563 WeakPolarHBondContact CG-OE1 3.15Å; R535-E563 IonicContact CZ-OE1 3.07Å; R535-E563 IonicContact NE-OE1 2.72Å; R535-E563 IonicContact NH1-OE1 3.31Å; R535-E563 PolarHBondContact NH1-OE1 2.94Å; L559-E563 HydrophobicContact CD1-CG 4.26Å; L559-E563 HydrophobicContact CG-CG 4.49Å; L559-E563 VanDerWaalsContact O-CG 3.28Å; L559-E563 WeakPolarHBondContact O-CG 3.48Å; L559-E563 PolarHBondContact O-N 3.46Å; A560-E563 PolarHBondContact O-N 3.18Å; E563-I566 PolarHBondContact O-N 3.47Å; E563-S567 WeakPolarHBondContact O-CB 3.32Å; E563-S567 PolarHBondContact O-N 2.97Å; E563-S567 PolarHBondContact O-OG 2.85Å; E563-M866 HydrophobicContact CB-SD 4.23Å; E563-M866 HydrophobicContact CG-CE 3.62Å; E563-M866 HydrophobicContact CG-SD 3.76Å; E563-M866 WeakPolarHBondContact OE1-CE 3.43Å
564	K	93.7	Very high	92.9	Very high	110 Å²	110	21.2 Å²	21.2	48%	0.478	11%	0.111	S	C	.	.	H	α-helix	trans	-61.2	-44.3	170.3	-179	-170.2	175.7	-164.3	0	111.3	E473 A560 S561 I562 S567 K568 Y873	E473-K564 IonicContact OE1-NZ 2.83Å; E473-K564 IonicContact OE2-NZ 2.78Å; A560-K564 WeakPolarHBondContact O-CB 3.5Å; A560-K564 PolarHBondContact O-N 3.27Å; S561-K564 PolarHBondContact O-N 3.16Å; I562-K564 VanDerWaalsContact C-N 3.33Å; I562-K564 PolarHBondContact O-N 3.17Å; K564-S567 PolarHBondContact O-N 2.78Å; K564-K568 WeakPolarHBondContact O-CB 3.31Å; K564-K568 PolarHBondContact O-N 2.86Å; K564-Y873 HydrophobicContact CD-CE1 4.3Å; K564-Y873 WeakPolarHBondContact CD-OH 3.25Å; K564-Y873 PolarHBondContact NZ-OH 3.5Å
565	L	94.9	Very high	92.5	Very high	9 Å²	9	25.7 Å²	25.7	5%	0.047	13%	0.128	C	C	.	.	H	α-helix	trans	-61.8	-46.9	176.4	176.3	69.7	0	0	0	111.6	T472 F476 V480 V531 S561 I562 S567 K568 C569	T472-L565 HydrophobicContact CG2-CB 4.23Å; T472-L565 HydrophobicContact CG2-CD2 4.22Å; F476-L565 HydrophobicContact CB-CD1 4.3Å; F476-L565 HydrophobicContact CB-CD2 3.59Å; F476-L565 HydrophobicContact CD2-CD2 3.8Å; F476-L565 HydrophobicContact CG-CD2 4.2Å; V480-L565 HydrophobicContact CG2-CD1 3.62Å; V531-L565 HydrophobicContact CG1-CD2 3.76Å; V531-L565 HydrophobicContact CG1-CG 4.11Å; S561-L565 PolarHBondContact O-N 3.16Å; I562-L565 HydrophobicContact CD1-CD2 4.48Å; I562-L565 WeakPolarHBondContact O-CB 3.32Å; I562-L565 PolarHBondContact O-N 3.48Å; L565-S567 VanDerWaalsContact C-N 3.33Å; L565-S567 PolarHBondContact O-N 2.85Å; L565-K568 WeakPolarHBondContact O-CB 3.35Å; L565-K568 PolarHBondContact O-N 2.83Å; L565-K568 VanDerWaalsContact O-N 3.14Å; L565-C569 PolarHBondContact O-N 2.8Å; L565-C569 PolarHBondContact O-SG 2.7Å; L565-C569 VanDerWaalsContact O-SG 3.4Å
566	I	92.2	Very high	92	Very high	11 Å²	11	25.8 Å²	25.8	6%	0.056	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-47.5	176.8	-69	166.4	0	0	0	110.2	V531 R535 I562 E563 K568 C569 D570	V531-I566 HydrophobicContact CG1-CD1 4.47Å; V531-I566 HydrophobicContact CG1-CG1 3.59Å; R535-I566 HydrophobicContact CB-CD1 4.1Å; R535-I566 HydrophobicContact CG-CD1 4.26Å; I562-I566 HydrophobicContact CG2-CD1 3.88Å; I562-I566 HydrophobicContact CG2-CG1 4.43Å; I562-I566 WeakPolarHBondContact O-CG1 3.35Å; I562-I566 PolarHBondContact O-N 3.06Å; E563-I566 PolarHBondContact O-N 3.47Å; I566-K568 PolarHBondContact O-N 3.42Å; I566-C569 WeakPolarHBondContact O-CB 3.33Å; I566-C569 PolarHBondContact O-N 3.38Å; I566-D570 PolarHBondContact O-N 2.8Å
567	S	89.2	Confident	91.5	Very high	58 Å²	58	26.9 Å²	26.9	41%	0.406	13%	0.133	S	C	.	.	H	α-helix	trans	-59.6	-37.7	177.7	-58.5	0	0	0	0	111.6	E563 K564 L565 S571	E563-S567 WeakPolarHBondContact O-CB 3.32Å; E563-S567 PolarHBondContact O-N 2.97Å; E563-S567 PolarHBondContact O-OG 2.85Å; K564-S567 PolarHBondContact O-N 2.78Å; L565-S567 VanDerWaalsContact C-N 3.33Å; L565-S567 PolarHBondContact O-N 2.85Å; S567-S571 VanDerWaalsContact O-CB 3.32Å; S567-S571 WeakPolarHBondContact O-CB 3.32Å; S567-S571 PolarHBondContact O-N 2.79Å; S567-S571 PolarHBondContact O-OG 2.92Å
568	K	92.3	Very high	91	Very high	78 Å²	78	27.3 Å²	27.3	34%	0.339	14%	0.135	S	C	.	.	H	α-helix	trans	-68.4	-44.8	175.2	-172.9	174.4	177.9	-176.6	0	111.9	E477 V480 K564 L565 I566 D570 S571 E572	E477-K568 VanDerWaalsContact OE1-CE 3.32Å; E477-K568 WeakPolarHBondContact OE1-CE 3.39Å; E477-K568 IonicContact OE1-NZ 3.8Å; E477-K568 PolarHBondContact OE1-NZ 3.47Å; E477-K568 WeakPolarHBondContact OE2-CE 3.18Å; E477-K568 IonicContact OE2-NZ 2.93Å; E477-K568 PolarHBondContact OE2-NZ 3.11Å; V480-K568 HydrophobicContact CG1-CG 4.1Å; V480-K568 HydrophobicContact CG2-CD 4.08Å; V480-K568 HydrophobicContact CG2-CG 4.12Å; K564-K568 WeakPolarHBondContact O-CB 3.31Å; K564-K568 PolarHBondContact O-N 2.86Å; L565-K568 WeakPolarHBondContact O-CB 3.35Å; L565-K568 PolarHBondContact O-N 2.83Å; L565-K568 VanDerWaalsContact O-N 3.14Å; I566-K568 PolarHBondContact O-N 3.42Å; K568-D570 PolarHBondContact O-N 2.79Å; K568-S571 PolarHBondContact O-N 3.43Å; K568-E572 HydrophobicContact CG-CG 4.35Å; K568-E572 WeakPolarHBondContact O-CB 3.49Å; K568-E572 WeakPolarHBondContact O-CG 3.29Å; K568-E572 PolarHBondContact O-N 3.31Å
569	C	91.6	Very high	90.5	Very high	6 Å²	6	28.5 Å²	28.5	4%	0.041	14%	0.14	C	C	.	.	H	α-helix	trans	-56.3	-48.9	173.8	-72.4	0	0	0	0	111.8	V483 L565 I566 S571 K573	V483-C569 HydrophobicContact CB-CB 4.26Å; V483-C569 HydrophobicContact CG1-CB 4.08Å; L565-C569 PolarHBondContact O-N 2.8Å; L565-C569 PolarHBondContact O-SG 2.7Å; L565-C569 VanDerWaalsContact O-SG 3.4Å; I566-C569 WeakPolarHBondContact O-CB 3.33Å; I566-C569 PolarHBondContact O-N 3.38Å; C569-S571 VanDerWaalsContact C-N 3.35Å; C569-K573 VanDerWaalsContact O-CB 3.29Å; C569-K573 WeakPolarHBondContact O-CB 3.32Å; C569-K573 PolarHBondContact O-N 2.83Å
570	D	86.4	Confident	89.9	Confident	25 Å²	25	29.6 Å²	29.6	13%	0.134	15%	0.145	C	C	.	.	H	α-helix	trans	-64	-41.3	179.5	-71.3	-28.8	0	0	0	110.7	R289 I566 K568 A574	R289-D570 IonicContact CZ-OD1 2.93Å; R289-D570 IonicContact CZ-OD2 3.55Å; R289-D570 IonicContact NE-OD1 2.87Å; R289-D570 PolarHBondContact NE-OD1 3.25Å; R289-D570 IonicContact NE-OD2 2.82Å; R289-D570 PolarHBondContact NE-OD2 2.98Å; R289-D570 IonicContact NH2-OD1 2.93Å; R289-D570 IonicContact NH2-OD2 3.37Å; R289-D570 PolarHBondContact NH2-OD2 3.32Å; I566-D570 PolarHBondContact O-N 2.8Å; K568-D570 PolarHBondContact O-N 2.79Å; D570-A574 WeakPolarHBondContact O-CB 3.4Å; D570-A574 PolarHBondContact O-N 2.95Å
571	S	87.7	Confident	89.5	Confident	37 Å²	37	32 Å²	32	26%	0.259	15%	0.152	S	C	.	.	H	α-helix	trans	-65	-46.7	177.7	-58.7	0	0	0	0	112.7	S567 K568 C569 A574 R575	S567-S571 VanDerWaalsContact O-CB 3.32Å; S567-S571 WeakPolarHBondContact O-CB 3.32Å; S567-S571 PolarHBondContact O-N 2.79Å; S567-S571 PolarHBondContact O-OG 2.92Å; K568-S571 PolarHBondContact O-N 3.43Å; C569-S571 VanDerWaalsContact C-N 3.35Å; S571-A574 PolarHBondContact O-N 3.27Å; S571-R575 WeakPolarHBondContact O-CB 3.4Å; S571-R575 PolarHBondContact O-N 3.5Å
572	E	89.3	Confident	89	Confident	47 Å²	47	32.6 Å²	32.6	22%	0.22	16%	0.155	C	C	.	.	H	α-helix	trans	-69.4	-37.3	-179.3	-71.9	-54	130.6	0	0	112.3	V480 Q484 K568 R575 M576	V480-E572 HydrophobicContact CG1-CB 3.87Å; V480-E572 HydrophobicContact CG1-CG 3.58Å; Q484-E572 HydrophobicContact CB-CB 3.97Å; K568-E572 HydrophobicContact CG-CG 4.35Å; K568-E572 WeakPolarHBondContact O-CB 3.49Å; K568-E572 WeakPolarHBondContact O-CG 3.29Å; K568-E572 PolarHBondContact O-N 3.31Å; E572-R575 PolarHBondContact O-N 3.47Å; E572-R575 IonicContact OE1-NE 3.95Å; E572-R575 IonicContact OE2-CZ 3.93Å; E572-R575 VanDerWaalsContact OE2-CZ 3.23Å; E572-R575 IonicContact OE2-NE 2.65Å; E572-R575 PolarHBondContact OE2-NE 2.93Å; E572-R575 IonicContact OE2-NH2 2.82Å; E572-R575 PolarHBondContact OE2-NH2 2.97Å; E572-M576 WeakPolarHBondContact O-CB 3.47Å; E572-M576 WeakPolarHBondContact O-CG 3.38Å; E572-M576 PolarHBondContact O-N 3.22Å
573	K	88.7	Confident	88.5	Confident	7 Å²	7	33.9 Å²	33.9	3%	0.03	16%	0.163	C	C	.	.	H	α-helix	trans	-58.5	-51.7	171.6	177.5	178.3	168.2	177.7	0	110.8	R290 V483 Q486 C569 R575 M576 E577	R290-K573 PolarHBondContact O-NZ 3.05Å; V483-K573 HydrophobicContact CG1-CB 4.34Å; V483-K573 HydrophobicContact CG1-CD 4.28Å; Q486-K573 VanDerWaalsContact OE1-CE 3.28Å; C569-K573 VanDerWaalsContact O-CB 3.29Å; C569-K573 WeakPolarHBondContact O-CB 3.32Å; C569-K573 PolarHBondContact O-N 2.83Å; K573-R575 VanDerWaalsContact C-N 3.32Å; K573-R575 PolarHBondContact O-N 2.95Å; K573-M576 PolarHBondContact O-N 3.13Å; K573-M576 VanDerWaalsContact O-N 3.17Å; K573-E577 VanDerWaalsContact CE-OE1 3.27Å; K573-E577 WeakPolarHBondContact CE-OE1 3.44Å; K573-E577 WeakPolarHBondContact O-CG 3.5Å; K573-E577 PolarHBondContact O-N 2.88Å
574	A	85	Confident	88.2	Confident	2 Å²	2	36.1 Å²	36.1	2%	0.017	17%	0.174	C	C	.	.	H	α-helix	trans	-61.2	-41.1	178.6	0	0	0	0	0	112.3	S287 D570 S571 M576 E577 Q578	S287-A574 VanDerWaalsContact CA-CB 3.46Å; D570-A574 WeakPolarHBondContact O-CB 3.4Å; D570-A574 PolarHBondContact O-N 2.95Å; S571-A574 PolarHBondContact O-N 3.27Å; A574-M576 VanDerWaalsContact C-N 3.31Å; A574-M576 PolarHBondContact O-N 3.03Å; A574-E577 PolarHBondContact O-N 3.31Å; A574-Q578 WeakPolarHBondContact O-CB 2.97Å; A574-Q578 VanDerWaalsContact O-CG 3.28Å; A574-Q578 WeakPolarHBondContact O-CG 3.23Å; A574-Q578 PolarHBondContact O-N 2.96Å
575	R	86.4	Confident	87.9	Confident	96 Å²	96	31 Å²	31	36%	0.362	15%	0.151	S	C	.	.	H	α-helix	trans	-59.6	-41.6	175.8	-170.2	-173.1	64	70.4	6.5	111.8	S571 E572 K573 K579	S571-R575 WeakPolarHBondContact O-CB 3.4Å; S571-R575 PolarHBondContact O-N 3.5Å; E572-R575 PolarHBondContact O-N 3.47Å; E572-R575 IonicContact OE1-NE 3.95Å; E572-R575 IonicContact OE2-CZ 3.93Å; E572-R575 VanDerWaalsContact OE2-CZ 3.23Å; E572-R575 IonicContact OE2-NE 2.65Å; E572-R575 PolarHBondContact OE2-NE 2.93Å; E572-R575 IonicContact OE2-NH2 2.82Å; E572-R575 PolarHBondContact OE2-NH2 2.97Å; K573-R575 VanDerWaalsContact C-N 3.32Å; K573-R575 PolarHBondContact O-N 2.95Å; R575-K579 WeakPolarHBondContact O-CB 3.34Å; R575-K579 PolarHBondContact O-N 3.3Å
576	M	86.3	Confident	87.4	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.01	16%	0.162	C	C	.	.	H	α-helix	trans	-68.4	-38.8	177.3	-74.5	-57.5	-60.7	0	0	112.7	T207 Y210 Q484 Y488 E572 K573 A574 K579 E580	T207-M576 HydrophobicContact CG2-CE 3.99Å; T207-M576 HydrophobicContact CG2-SD 4.35Å; Y210-M576 HydrophobicContact CE2-CE 3.99Å; Q484-M576 HydrophobicContact CB-CG 3.96Å; Q484-M576 HydrophobicContact CG-CG 4.35Å; Y488-M576 HydrophobicContact CE2-CE 3.78Å; Y488-M576 WeakPolarHBondContact OH-CE 3.45Å; E572-M576 WeakPolarHBondContact O-CB 3.47Å; E572-M576 WeakPolarHBondContact O-CG 3.38Å; E572-M576 PolarHBondContact O-N 3.22Å; K573-M576 PolarHBondContact O-N 3.13Å; K573-M576 VanDerWaalsContact O-N 3.17Å; A574-M576 VanDerWaalsContact C-N 3.31Å; A574-M576 PolarHBondContact O-N 3.03Å; M576-K579 PolarHBondContact O-N 3.48Å; M576-E580 PolarHBondContact O-N 3.08Å
577	E	85.9	Confident	87.1	Confident	24 Å²	24	39.4 Å²	39.4	11%	0.112	19%	0.187	C	C	.	.	H	α-helix	trans	-63.4	-44.4	174.3	-70.9	172.8	166.1	0	0	111.3	M487 K573 A574 K579 E580 R581	M487-E577 HydrophobicContact SD-CG 4.26Å; K573-E577 VanDerWaalsContact CE-OE1 3.27Å; K573-E577 WeakPolarHBondContact CE-OE1 3.44Å; K573-E577 WeakPolarHBondContact O-CG 3.5Å; K573-E577 PolarHBondContact O-N 2.88Å; A574-E577 PolarHBondContact O-N 3.31Å; E577-K579 PolarHBondContact O-N 3.33Å; E577-E580 PolarHBondContact O-N 3.01Å; E577-R581 PolarHBondContact O-N 2.55Å
578	Q	87.1	Confident	87	Confident	20 Å²	20	39.5 Å²	39.5	9%	0.093	18%	0.179	C	C	.	.	H	α-helix	trans	-60.8	-42.1	174.5	-74.1	-71.9	-31.2	0	0	112.2	E288 A574 R581 L582 L605	E288-Q578 PolarHBondContact OE1-NE2 3.16Å; A574-Q578 WeakPolarHBondContact O-CB 2.97Å; A574-Q578 VanDerWaalsContact O-CG 3.28Å; A574-Q578 WeakPolarHBondContact O-CG 3.23Å; A574-Q578 PolarHBondContact O-N 2.96Å; Q578-R581 PolarHBondContact O-N 3.17Å; Q578-L582 WeakPolarHBondContact O-CB 3.44Å; Q578-L582 PolarHBondContact O-N 3.02Å; Q578-L605 PolarHBondContact OE1-O 3.05Å
579	K	85.4	Confident	86.8	Confident	24 Å²	24	36.5 Å²	36.5	10%	0.104	17%	0.166	C	C	.	.	H	α-helix	trans	-63.5	-44.3	177.5	-173.4	171.9	-178	167.9	0	112	I203 T207 R575 M576 E577 L582 V583	I203-K579 PolarHBondContact O-NZ 3.09Å; T207-K579 PolarHBondContact OG1-NZ 3.07Å; T207-K579 VanDerWaalsContact OG1-NZ 3.08Å; R575-K579 WeakPolarHBondContact O-CB 3.34Å; R575-K579 PolarHBondContact O-N 3.3Å; M576-K579 PolarHBondContact O-N 3.48Å; E577-K579 PolarHBondContact O-N 3.33Å; K579-L582 PolarHBondContact O-N 3.48Å; K579-V583 WeakPolarHBondContact O-CG2 3.27Å; K579-V583 PolarHBondContact O-N 2.88Å
580	E	84.3	Confident	86.5	Confident	24 Å²	24	40 Å²	40	11%	0.112	18%	0.182	C	C	.	.	H	α-helix	trans	-65.8	-40.6	176.2	179.1	73.9	157.4	0	0	111.4	Y210 M487 R491 M576 E577 L582 V583 E584	Y210-E580 PolarHBondContact OH-OE2 3.34Å; M487-E580 HydrophobicContact CE-CB 3.41Å; M487-E580 VanDerWaalsContact CE-CB 3.41Å; M487-E580 HydrophobicContact CE-CG 3.54Å; M487-E580 HydrophobicContact SD-CB 4.31Å; M487-E580 HydrophobicContact SD-CG 4.27Å; R491-E580 IonicContact CZ-OE1 3.6Å; R491-E580 IonicContact NH1-OE1 3.68Å; R491-E580 PolarHBondContact NH1-OE1 2.78Å; R491-E580 IonicContact NH2-OE1 2.76Å; M576-E580 PolarHBondContact O-N 3.08Å; E577-E580 PolarHBondContact O-N 3.01Å; E580-L582 VanDerWaalsContact C-N 3.3Å; E580-L582 PolarHBondContact O-N 3.37Å; E580-V583 PolarHBondContact O-N 3.4Å; E580-E584 PolarHBondContact O-N 3.38Å
581	R	87.2	Confident	86.3	Confident	59 Å²	59	43 Å²	43	22%	0.223	19%	0.192	C	C	.	.	H	α-helix	trans	-60.1	-43	176.3	-177.3	56.6	-178.7	170.7	-1.9	111.4	E577 Q578 E584 I585 L605 E608	E577-R581 PolarHBondContact O-N 2.55Å; Q578-R581 PolarHBondContact O-N 3.17Å; R581-E584 IonicContact CZ-OE2 3.95Å; R581-E584 IonicContact NH1-OE1 2.67Å; R581-E584 PolarHBondContact NH1-OE1 3.22Å; R581-E584 IonicContact NH1-OE2 2.67Å; R581-E584 PolarHBondContact NH1-OE2 3.25Å; R581-E584 WeakPolarHBondContact O-CB 3.2Å; R581-E584 PolarHBondContact O-N 3.47Å; R581-I585 HydrophobicContact CG-CD1 4Å; R581-I585 WeakPolarHBondContact O-CG1 3.4Å; R581-I585 PolarHBondContact O-N 3.35Å; R581-L605 HydrophobicContact CG-CD2 3.86Å; R581-E608 IonicContact CZ-OE1 2.59Å; R581-E608 IonicContact CZ-OE2 2.66Å; R581-E608 IonicContact NE-OE1 3.3Å; R581-E608 IonicContact NE-OE2 3.6Å; R581-E608 PolarHBondContact NE-OE2 3.48Å; R581-E608 IonicContact NH2-OE1 3.39Å; R581-E608 PolarHBondContact NH2-OE1 3.25Å; R581-E608 IonicContact NH2-OE2 3.22Å; R581-E608 PolarHBondContact NH2-OE2 3.41Å
582	L	87.6	Confident	85.7	Confident	13 Å²	13	46.9 Å²	46.9	7%	0.068	20%	0.204	C	C	.	.	H	α-helix	trans	-60.8	-44.1	175.2	-177.7	61.1	0	0	0	111.8	Q578 K579 E580 E584 I585 C586 F644	Q578-L582 WeakPolarHBondContact O-CB 3.44Å; Q578-L582 PolarHBondContact O-N 3.02Å; K579-L582 PolarHBondContact O-N 3.48Å; E580-L582 VanDerWaalsContact C-N 3.3Å; E580-L582 PolarHBondContact O-N 3.37Å; L582-E584 VanDerWaalsContact C-N 3.33Å; L582-E584 PolarHBondContact O-N 3.07Å; L582-I585 PolarHBondContact O-N 3.21Å; L582-C586 WeakPolarHBondContact O-CB 3.38Å; L582-C586 PolarHBondContact O-N 3.04Å; L582-C586 PolarHBondContact O-SG 3.04Å; L582-F644 HydrophobicContact CD1-CD1 4.35Å; L582-F644 HydrophobicContact CD1-CE1 3.6Å; L582-F644 HydrophobicContact CD1-CZ 4.16Å
583	V	84.8	Confident	84.8	Confident	27 Å²	27	53.9 Å²	53.9	16%	0.164	23%	0.23	C	C	.	.	H	α-helix	trans	-61.5	-41.9	176	170.7	0	0	0	0	111.4	K579 E580 C586 R587	K579-V583 WeakPolarHBondContact O-CG2 3.27Å; K579-V583 PolarHBondContact O-N 2.88Å; E580-V583 PolarHBondContact O-N 3.4Å; V583-C586 PolarHBondContact O-N 3.15Å; V583-R587 WeakPolarHBondContact O-CG 3.25Å; V583-R587 PolarHBondContact O-N 3.29Å; V583-R587 VanDerWaalsContact O-N 3.09Å
584	E	85.4	Confident	83.5	Confident	80 Å²	80	61.4 Å²	61.4	37%	0.374	27%	0.271	S	S	.	.	H	α-helix	trans	-62	-46	176.1	-168.9	-162.7	151.9	0	0	111.8	E580 R581 L582 R587 R588	E580-E584 PolarHBondContact O-N 3.38Å; R581-E584 IonicContact CZ-OE2 3.95Å; R581-E584 IonicContact NH1-OE1 2.67Å; R581-E584 PolarHBondContact NH1-OE1 3.22Å; R581-E584 IonicContact NH1-OE2 2.67Å; R581-E584 PolarHBondContact NH1-OE2 3.25Å; R581-E584 WeakPolarHBondContact O-CB 3.2Å; R581-E584 PolarHBondContact O-N 3.47Å; L582-E584 VanDerWaalsContact C-N 3.33Å; L582-E584 PolarHBondContact O-N 3.07Å; E584-R587 PolarHBondContact O-N 3.24Å; E584-R588 WeakPolarHBondContact O-CG 3.46Å; E584-R588 PolarHBondContact O-N 3.47Å
585	I	87.4	Confident	82.5	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-60.9	-51.5	177.5	-69.1	165.1	0	0	0	109.8	R581 L582 R587 R588 L589 L605 F642	R581-I585 HydrophobicContact CG-CD1 4Å; R581-I585 WeakPolarHBondContact O-CG1 3.4Å; R581-I585 PolarHBondContact O-N 3.35Å; L582-I585 PolarHBondContact O-N 3.21Å; I585-R587 PolarHBondContact O-N 3.26Å; I585-R588 PolarHBondContact O-N 2.96Å; I585-L589 HydrophobicContact CG2-CD1 3.66Å; I585-L589 HydrophobicContact CG2-CG 4.09Å; I585-L589 WeakPolarHBondContact O-CG 3.45Å; I585-L589 PolarHBondContact O-N 3.05Å; I585-L605 HydrophobicContact CD1-CD1 4.37Å; I585-L605 HydrophobicContact CD1-CD2 3.83Å; I585-F642 HydrophobicContact CD1-CD1 3.68Å; I585-F642 HydrophobicContact CD1-CE1 3.81Å; I585-F642 HydrophobicContact CG1-CD1 4.22Å; I585-F642 HydrophobicContact CG1-CE1 3.91Å; I585-F642 HydrophobicContact CG2-CD1 4.33Å; I585-F642 HydrophobicContact CG2-CE1 4.3Å
586	C	85.8	Confident	81.4	Confident	39 Å²	39	67 Å²	67	26%	0.264	31%	0.307	S	S	.	.	H	α-helix	trans	-55	-37.1	179.1	-72.7	0	0	0	0	112.9	L582 V583 R588 L589	L582-C586 WeakPolarHBondContact O-CB 3.38Å; L582-C586 PolarHBondContact O-N 3.04Å; L582-C586 PolarHBondContact O-SG 3.04Å; V583-C586 PolarHBondContact O-N 3.15Å; C586-R588 VanDerWaalsContact C-N 3.27Å; C586-R588 PolarHBondContact O-N 3.02Å; C586-L589 PolarHBondContact O-N 3.03Å
587	R	84.8	Confident	80.5	Confident	157 Å²	157	70.7 Å²	70.7	59%	0.592	33%	0.333	S	S	*	.	H	α-helix	trans	-67.2	-25.6	176.5	-76.1	175.2	178.1	154.4	3	113.9	V583 E584 I585	V583-R587 WeakPolarHBondContact O-CG 3.25Å; V583-R587 PolarHBondContact O-N 3.29Å; V583-R587 VanDerWaalsContact O-N 3.09Å; E584-R587 PolarHBondContact O-N 3.24Å; I585-R587 PolarHBondContact O-N 3.26Å
588	R	88.1	Confident	79.8	Confident	60 Å²	60	69.9 Å²	69.9	23%	0.226	33%	0.329	C	S	.	.	H	α-helix	trans	-92.4	-16.3	-177.5	-66.4	174.3	63.6	-174.7	-1.7	113	E584 I585 C586 Q657 H658 L659	E584-R588 WeakPolarHBondContact O-CG 3.46Å; E584-R588 PolarHBondContact O-N 3.47Å; I585-R588 PolarHBondContact O-N 2.96Å; C586-R588 VanDerWaalsContact C-N 3.27Å; C586-R588 PolarHBondContact O-N 3.02Å; R588-Q657 PolarHBondContact NE-O 3.43Å; R588-Q657 PolarHBondContact NH2-O 3.27Å; R588-Q657 VanDerWaalsContact NH2-O 3.12Å; R588-H658 WeakPolarHBondContact O-CA 3.34Å; R588-L659 PolarHBondContact O-N 3.01Å
589	L	87.6	Confident	78.9	Confident	15 Å²	15	70.2 Å²	70.2	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.9	-175.3	-69.8	171.8	0	0	0	111.9	I585 C586 Y591 L598 L649 T651 L659 V661	I585-L589 HydrophobicContact CG2-CD1 3.66Å; I585-L589 HydrophobicContact CG2-CG 4.09Å; I585-L589 WeakPolarHBondContact O-CG 3.45Å; I585-L589 PolarHBondContact O-N 3.05Å; C586-L589 PolarHBondContact O-N 3.03Å; L589-Y591 HydrophobicContact CB-CE2 4.15Å; L589-L598 HydrophobicContact CD1-CD1 3.19Å; L589-L649 HydrophobicContact CD1-CD2 3.57Å; L589-L649 HydrophobicContact CD2-CD2 3.67Å; L589-L649 HydrophobicContact CG-CD2 4.31Å; L589-T651 HydrophobicContact CD2-CG2 3.72Å; L589-L659 WeakPolarHBondContact CA-O 3.49Å; L589-L659 HydrophobicContact CD2-CB 3.9Å; L589-V661 HydrophobicContact CB-CG2 4.42Å; L589-V661 HydrophobicContact CD2-CG2 3.79Å
590	E	84.8	Confident	78.3	Confident	81 Å²	81	71.3 Å²	71.3	38%	0.379	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136.9	170.4	-66.8	177.4	174.7	0	0	108.6	H658 L659 L660 V661	E590-H658 HydrophobicContact CG-CB 4.32Å; E590-H658 IonicContact OE1-CD2 3.99Å; E590-H658 IonicContact OE1-CE1 3.37Å; E590-H658 IonicContact OE1-CG 3.72Å; E590-H658 VanDerWaalsContact OE1-CG 3.32Å; E590-H658 IonicContact OE1-ND1 2.78Å; E590-H658 PolarHBondContact OE1-ND1 3.39Å; E590-L659 PolarHBondContact N-O 2.85Å; E590-L660 HydrophobicContact CB-CD1 4.35Å; E590-V661 PolarHBondContact O-N 3.02Å
591	Y	82.8	Confident	77.6	Confident	86 Å²	86	77.4 Å²	77.4	34%	0.337	37%	0.373	S	S	.	.			trans	-112.4	143	-179.9	-59.2	-91.7	0	0	0	110.3	L589 Y593 A595 L598 V661	L589-Y591 HydrophobicContact CB-CE2 4.15Å; Y591-Y593 VanDerWaalsContact C-N 3.32Å; Y591-Y593 VanDerWaalsContact CB-O 3.3Å; Y591-Y593 WeakPolarHBondContact CB-O 3.32Å; Y591-A595 HydrophobicContact CD1-CB 3.18Å; Y591-A595 HydrophobicContact CD2-CB 3.49Å; Y591-A595 VanDerWaalsContact CD2-CB 3.49Å; Y591-A595 HydrophobicContact CE1-CB 3.51Å; Y591-A595 HydrophobicContact CE2-CB 3.81Å; Y591-A595 HydrophobicContact CG-CB 3.16Å; Y591-L598 WeakPolarHBondContact OH-CD1 3.47Å; Y591-L598 VanDerWaalsContact OH-CG 3.29Å; Y591-L598 WeakPolarHBondContact OH-CG 3.37Å; Y591-V661 HydrophobicContact CD1-CB 3.85Å; Y591-V661 HydrophobicContact CD1-CG1 4.19Å; Y591-V661 HydrophobicContact CD1-CG2 3.7Å; Y591-V661 HydrophobicContact CE1-CB 4.18Å; Y591-V661 HydrophobicContact CE1-CG1 4.33Å; Y591-V661 HydrophobicContact CE1-CG2 3.61Å; Y591-V661 HydrophobicContact CG-CG2 4.44Å
592	K	75	Confident	77.1	Confident	119 Å²	119	79.2 Å²	79.2	52%	0.517	40%	0.395	S	S	.	.	S	Bend	trans	-74.2	-26.5	174.6	-64.2	179	-174.3	165.1	0	112.6	L660	K592-L660 HydrophobicContact CG-CD1 3.78Å; K592-L660 HydrophobicContact CG-CG 4.43Å
593	Y	70.1	Confident	77	Confident	194 Å²	194	80 Å²	80	76%	0.761	40%	0.397	S	S	*	.	S	Bend	trans	-134.9	165.3	-175.3	-53.7	-73.8	0	0	0	109.7	Y591 A595	Y591-Y593 VanDerWaalsContact C-N 3.32Å; Y591-Y593 VanDerWaalsContact CB-O 3.3Å; Y591-Y593 WeakPolarHBondContact CB-O 3.32Å; Y593-A595 PolarHBondContact O-N 3.24Å
594	D	61.6	Low	77.1	Confident	166 Å²	166	81 Å²	81	89%	0.888	40%	0.403	S	S	*	.	S	Bend	trans	-54	115.5	175.1	-75.1	-32.1	0	0	0	110.2
595	A	63.2	Low	77.3	Confident	51 Å²	51	77.5 Å²	77.5	42%	0.421	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-102.3	148.5	-165.1	0	0	0	0	0	112.9	Y591 Y593	Y591-A595 HydrophobicContact CD1-CB 3.18Å; Y591-A595 HydrophobicContact CD2-CB 3.49Å; Y591-A595 VanDerWaalsContact CD2-CB 3.49Å; Y591-A595 HydrophobicContact CE1-CB 3.51Å; Y591-A595 HydrophobicContact CE2-CB 3.81Å; Y591-A595 HydrophobicContact CG-CB 3.16Å; Y593-A595 PolarHBondContact O-N 3.24Å
596	K	64.6	Low	77.4	Confident	163 Å²	163	78.7 Å²	78.7	71%	0.709	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-67.4	135.3	167.9	-64.5	178.8	-178.5	176.6	0	109.1	L598	K596-L598 PolarHBondContact O-N 2.75Å
597	S	67.6	Low	77.7	Confident	80 Å²	80	76.9 Å²	76.9	56%	0.559	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-59	121.1	175.3	-179.5	0	0	0	0	110.3	A599 R603	S597-A599 VanDerWaalsContact C-N 3.32Å; S597-A599 PolarHBondContact OG-N 3.47Å; S597-A599 PolarHBondContact OG-O 3.37Å; S597-R603 PolarHBondContact O-NH1 3.37Å
598	L	71.1	Confident	78.1	Confident	7 Å²	7	71.8 Å²	71.8	4%	0.037	36%	0.364	C	S	.	.	S	Bend	trans	-76.3	-23.1	172.7	-76.9	177.4	0	0	0	112.6	L589 Y591 K596 T600 R603 F644 Y647 L649	L589-L598 HydrophobicContact CD1-CD1 3.19Å; Y591-L598 WeakPolarHBondContact OH-CD1 3.47Å; Y591-L598 VanDerWaalsContact OH-CG 3.29Å; Y591-L598 WeakPolarHBondContact OH-CG 3.37Å; K596-L598 PolarHBondContact O-N 2.75Å; L598-T600 PolarHBondContact O-N 2.89Å; L598-T600 VanDerWaalsContact O-N 3.17Å; L598-R603 WeakPolarHBondContact O-CD 3.39Å; L598-R603 PolarHBondContact O-NH1 2.97Å; L598-F644 HydrophobicContact CD2-CE2 4.36Å; L598-Y647 HydrophobicContact CD2-CD1 3.79Å; L598-Y647 HydrophobicContact CD2-CE1 4.01Å; L598-L649 HydrophobicContact CD1-CD2 3.75Å
599	A	68.3	Low	78.3	Confident	28 Å²	28	69.7 Å²	69.7	23%	0.231	36%	0.362	C	S	.	.			trans	-79.4	103.2	177	0	0	0	0	0	108	I203 S597	I203-A599 HydrophobicContact CD1-CB 3.37Å; I203-A599 WeakPolarHBondContact CD1-O 3.11Å; S597-A599 VanDerWaalsContact C-N 3.32Å; S597-A599 PolarHBondContact OG-N 3.47Å; S597-A599 PolarHBondContact OG-O 3.37Å
600	T	72.2	Confident	78.5	Confident	47 Å²	47	71.8 Å²	71.8	29%	0.288	37%	0.373	S	S	.	.			trans	-124.5	154.7	165.3	53.7	0	0	0	0	108.8	L598 S602 R603	L598-T600 PolarHBondContact O-N 2.89Å; L598-T600 VanDerWaalsContact O-N 3.17Å; T600-S602 VanDerWaalsContact C-N 3.35Å; T600-S602 PolarHBondContact O-N 3.33Å; T600-R603 PolarHBondContact O-N 2.92Å; T600-R603 WeakPolarHBondContact OG1-CB 3.44Å
601	E	69.3	Low	78.9	Confident	152 Å²	152	68.1 Å²	68.1	71%	0.71	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-35.8	-173.7	-176.8	173	-164.5	0	0	113.7	I203	I203-E601 HydrophobicContact CG2-CB 4.34Å
602	S	77.4	Confident	79.2	Confident	96 Å²	96	68.2 Å²	68.2	67%	0.671	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-10.4	-176.9	54.1	0	0	0	0	114.4	T600	T600-S602 VanDerWaalsContact C-N 3.35Å; T600-S602 PolarHBondContact O-N 3.33Å
603	R	85.6	Confident	79.8	Confident	30 Å²	30	63.3 Å²	63.3	11%	0.113	34%	0.335	C	S	.	.			trans	-82.1	123.8	-171.3	-176.5	172.5	-67.4	140.8	0.3	111.3	S597 L598 T600 F644 D646	S597-R603 PolarHBondContact O-NH1 3.37Å; L598-R603 WeakPolarHBondContact O-CD 3.39Å; L598-R603 PolarHBondContact O-NH1 2.97Å; T600-R603 PolarHBondContact O-N 2.92Å; T600-R603 WeakPolarHBondContact OG1-CB 3.44Å; R603-F644 HydrophobicContact CG-CB 3.6Å; R603-F644 HydrophobicContact CG-CD1 3.77Å; R603-F644 HydrophobicContact CG-CG 3.86Å; R603-D646 WeakPolarHBondContact CG-OD1 3.41Å; R603-D646 IonicContact CZ-OD1 2.78Å; R603-D646 IonicContact CZ-OD2 3.64Å; R603-D646 IonicContact NE-OD1 3.52Å; R603-D646 PolarHBondContact NE-OD1 3.49Å; R603-D646 IonicContact NE-OD2 2.69Å; R603-D646 PolarHBondContact NE-OD2 2.84Å; R603-D646 IonicContact NH2-OD1 3.18Å; R603-D646 IonicContact NH2-OD2 3.77Å; R603-D646 PolarHBondContact NH2-OD2 3.16Å
604	T	86.6	Confident	80.4	Confident	48 Å²	48	56.3 Å²	56.3	29%	0.294	31%	0.311	S	S	.	.			trans	-116.4	148.5	176.9	59.9	0	0	0	0	110.5	V606 F644 S645	T604-V606 PolarHBondContact O-N 3.22Å; T604-F644 CarbonylContact O-C 3.58Å; T604-F644 WeakPolarHBondContact O-CA 3.06Å; T604-F644 WeakPolarHBondContact O-CB 3.43Å; T604-S645 PolarHBondContact N-OG 3.39Å; T604-S645 PolarHBondContact O-N 2.84Å
605	L	89.8	Confident	81.2	Confident	7 Å²	7	51.1 Å²	51.1	4%	0.037	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	111.4	175.7	-178.5	70.9	0	0	0	108.7	Q578 R581 I585 E608 F642 F644 C808	Q578-L605 PolarHBondContact OE1-O 3.05Å; R581-L605 HydrophobicContact CG-CD2 3.86Å; I585-L605 HydrophobicContact CD1-CD1 4.37Å; I585-L605 HydrophobicContact CD1-CD2 3.83Å; L605-E608 HydrophobicContact CD1-CB 4.42Å; L605-E608 HydrophobicContact CD2-CB 4.26Å; L605-E608 HydrophobicContact CD2-CG 4.14Å; L605-F642 HydrophobicContact CD1-CB 4.07Å; L605-F642 HydrophobicContact CD1-CD1 4.2Å; L605-F644 HydrophobicContact CB-CD1 4.28Å; L605-F644 HydrophobicContact CB-CE1 4.35Å; L605-F644 HydrophobicContact CD1-CD1 3.98Å; L605-F644 HydrophobicContact CD1-CE1 3.77Å; L605-F644 HydrophobicContact CD1-CZ 4.27Å; L605-C808 WeakPolarHBondContact O-CB 3.43Å
606	V	89	Confident	81.8	Confident	26 Å²	26	52.3 Å²	52.3	16%	0.158	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	-42.3	179.6	176.5	0	0	0	0	110.6	T604 L643 C808	T604-V606 PolarHBondContact O-N 3.22Å; V606-L643 WeakPolarHBondContact CA-O 3.48Å; V606-L643 HydrophobicContact CB-CD2 4.14Å; V606-L643 HydrophobicContact CB-CG 4.05Å; V606-L643 HydrophobicContact CG1-CD2 3.94Å; V606-L643 HydrophobicContact CG1-CG 4.4Å; V606-L643 PolarHBondContact N-O 3.12Å; V606-C808 WeakPolarHBondContact O-CB 3.44Å
607	K	91.4	Very high	82.3	Confident	1 Å²	1	47.5 Å²	47.5	0%	0.004	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	144.9	179	-165.7	169.2	-177.8	65.3	0	111.7	L643 W772 E807 D809	K607-L643 HydrophobicContact CB-CB 4.17Å; K607-L643 HydrophobicContact CB-CD2 4.15Å; K607-L643 PolarHBondContact N-O 2.78Å; K607-L643 WeakPolarHBondContact O-CB 3.29Å; K607-L643 PolarHBondContact O-N 3.21Å; K607-W772 HydrophobicContact CB-CH2 4.37Å; K607-W772 HydrophobicContact CB-CZ3 4.34Å; K607-W772 HydrophobicContact CD-CD2 3.76Å; K607-W772 HydrophobicContact CD-CE3 4.07Å; K607-W772 HydrophobicContact CD-CG 4.08Å; K607-W772 HydrophobicContact CD-CZ2 4.26Å; K607-W772 HydrophobicContact CD-CZ3 4.45Å; K607-W772 HydrophobicContact CG-CD2 4.4Å; K607-W772 HydrophobicContact CG-CE3 4.48Å; K607-W772 HydrophobicContact CG-CH2 4.14Å; K607-W772 HydrophobicContact CG-CZ2 4.07Å; K607-W772 HydrophobicContact CG-CZ3 4.37Å; K607-E807 IonicContact NZ-OE2 2.77Å; K607-E807 PolarHBondContact NZ-OE2 3.18Å; K607-D809 IonicContact NZ-OD1 3.91Å; K607-D809 PolarHBondContact NZ-OD1 2.75Å; K607-D809 IonicContact NZ-OD2 2.98Å; K607-D809 PolarHBondContact NZ-OD2 3.12Å
608	E	93.1	Very high	82.3	Confident	50 Å²	50	47.7 Å²	47.7	23%	0.234	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	155.5	167.5	60.4	174.4	-154.8	0	0	110.3	R581 L605 L641 F642	R581-E608 IonicContact CZ-OE1 2.59Å; R581-E608 IonicContact CZ-OE2 2.66Å; R581-E608 IonicContact NE-OE1 3.3Å; R581-E608 IonicContact NE-OE2 3.6Å; R581-E608 PolarHBondContact NE-OE2 3.48Å; R581-E608 IonicContact NH2-OE1 3.39Å; R581-E608 PolarHBondContact NH2-OE1 3.25Å; R581-E608 IonicContact NH2-OE2 3.22Å; R581-E608 PolarHBondContact NH2-OE2 3.41Å; L605-E608 HydrophobicContact CD1-CB 4.42Å; L605-E608 HydrophobicContact CD2-CB 4.26Å; L605-E608 HydrophobicContact CD2-CG 4.14Å; E608-L641 VanDerWaalsContact CA-O 3.3Å; E608-L641 WeakPolarHBondContact CA-O 3.47Å; E608-F642 HydrophobicContact CB-CD1 3.75Å; E608-F642 HydrophobicContact CB-CE1 4.06Å; E608-F642 WeakPolarHBondContact OE2-CE1 3.18Å
609	G	92.9	Very high	81.8	Confident	17 Å²	17	51.4 Å²	51.4	18%	0.175	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.7	160.6	174.8	0	0	0	0	0	115.2	L641	G609-L641 PolarHBondContact N-O 2.9Å; G609-L641 VanDerWaalsContact N-O 3.08Å; G609-L641 PolarHBondContact O-N 3.4Å
610	D	93.2	Very high	81	Confident	58 Å²	58	57.3 Å²	57.3	31%	0.31	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	127.2	176.6	-66.8	-29	0	0	0	110.8	I638 A639 T640 K653 K768	D610-I638 HydrophobicContact CB-CG2 3.89Å; D610-A639 CarbonylContact C-O 3.6Å; D610-A639 WeakPolarHBondContact CA-O 3.27Å; D610-T640 WeakPolarHBondContact OD1-CB 3Å; D610-T640 WeakPolarHBondContact OD1-CG2 3.16Å; D610-T640 PolarHBondContact OD1-OG1 3.27Å; D610-K653 VanDerWaalsContact CG-NZ 3.3Å; D610-K653 VanDerWaalsContact OD1-CE 3.23Å; D610-K653 WeakPolarHBondContact OD1-CE 3.36Å; D610-K653 IonicContact OD1-NZ 3.85Å; D610-K653 PolarHBondContact OD1-NZ 2.98Å; D610-K653 IonicContact OD2-NZ 3.2Å; D610-K653 PolarHBondContact OD2-NZ 3.15Å; D610-K768 VanDerWaalsContact O-CE 3.25Å; D610-K768 WeakPolarHBondContact O-CE 3.14Å; D610-K768 PolarHBondContact O-NZ 2.69Å
611	L	91.9	Very high	79.9	Confident	4 Å²	4	57 Å²	57	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.7	176.3	-64.5	178.7	0	0	0	111.1	L613 I638 A639 L641 F745 F761 T763 W772	L611-L613 PolarHBondContact O-N 3.33Å; L611-I638 WeakPolarHBondContact O-CA 3.34Å; L611-A639 PolarHBondContact N-O 2.95Å; L611-A639 PolarHBondContact O-N 3.17Å; L611-L641 HydrophobicContact CB-CD1 4.24Å; L611-L641 HydrophobicContact CD1-CD1 4.06Å; L611-L641 HydrophobicContact CD1-CD2 3.74Å; L611-L641 HydrophobicContact CD1-CG 4.38Å; L611-L641 HydrophobicContact CG-CD1 4.4Å; L611-F745 HydrophobicContact CD1-CE1 4.26Å; L611-F745 HydrophobicContact CD1-CZ 3.8Å; L611-F761 HydrophobicContact CB-CD1 3.67Å; L611-F761 HydrophobicContact CB-CE1 4.21Å; L611-F761 HydrophobicContact CB-CG 4.35Å; L611-F761 HydrophobicContact CD1-CB 4.36Å; L611-F761 HydrophobicContact CD1-CD1 4.09Å; L611-F761 HydrophobicContact CD1-CG 4.09Å; L611-T763 HydrophobicContact CD2-CG2 3.5Å; L611-W772 HydrophobicContact CD1-CD2 4.08Å; L611-W772 HydrophobicContact CD1-CG 4.25Å; L611-W772 HydrophobicContact CD1-CZ2 4.4Å
612	R	89.2	Confident	78.7	Confident	89 Å²	89	54.4 Å²	54.4	34%	0.336	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	113.3	174.9	-171.7	178	-174.2	-168.1	6.9	109	L614 A636 F761 Q762	R612-L614 HydrophobicContact CG-CD2 4.47Å; R612-A636 HydrophobicContact CG-CB 4.04Å; R612-F761 CarbonylContact O-C 3.59Å; R612-F761 WeakPolarHBondContact O-CA 3.37Å; R612-Q762 HydrophobicContact CB-CB 4.32Å; R612-Q762 PolarHBondContact N-O 2.98Å; R612-Q762 PolarHBondContact O-N 2.97Å
613	L	88.4	Confident	77.4	Confident	16 Å²	16	52 Å²	52	8%	0.084	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	114.2	173.7	178.2	57	0	0	0	109.3	L611 T615 A636 T637 A639 Y759 F761	L611-L613 PolarHBondContact O-N 3.33Å; L613-T615 WeakPolarHBondContact CD1-O 3.45Å; L613-A636 WeakPolarHBondContact O-CA 3.42Å; L613-T637 PolarHBondContact N-O 3.18Å; L613-T637 PolarHBondContact O-N 2.83Å; L613-A639 HydrophobicContact CB-CB 4.37Å; L613-Y759 HydrophobicContact CD1-CD1 3.73Å; L613-Y759 HydrophobicContact CD1-CG 4.49Å; L613-Y759 HydrophobicContact CD2-CD1 4.16Å; L613-Y759 HydrophobicContact CD2-CE1 4.39Å; L613-F761 HydrophobicContact CB-CD1 4.35Å; L613-F761 HydrophobicContact CB-CE1 4.06Å; L613-F761 HydrophobicContact CD1-CD1 4.34Å; L613-F761 HydrophobicContact CD1-CE1 3.98Å; L613-F761 HydrophobicContact CD1-CZ 4.33Å
614	L	81.4	Confident	75.6	Confident	46 Å²	46	58 Å²	58	24%	0.241	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	-47.5	179.7	-67.7	178.3	0	0	0	111.8	R612 S634 A636 V760 Q762	R612-L614 HydrophobicContact CG-CD2 4.47Å; L614-S634 PolarHBondContact O-OG 3.42Å; L614-S634 VanDerWaalsContact O-OG 3.08Å; L614-A636 HydrophobicContact CD2-CB 3.99Å; L614-V760 HydrophobicContact CB-CB 4.37Å; L614-V760 HydrophobicContact CB-CG1 4.33Å; L614-V760 HydrophobicContact CD1-CG1 4.13Å; L614-V760 PolarHBondContact N-O 2.86Å; L614-Q762 HydrophobicContact CD1-CB 3.94Å; L614-Q762 HydrophobicContact CG-CB 4.1Å
615	T	78.4	Confident	73.7	Confident	58 Å²	58	63.3 Å²	63.3	36%	0.356	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	144.9	-175.1	-48.9	0	0	0	0	109.8	L613 T617 V760	L613-T615 WeakPolarHBondContact CD1-O 3.45Å; T615-T617 HydrophobicContact CG2-CG2 4Å; T615-V760 PolarHBondContact O-N 2.78Å
616	M	75.9	Confident	71.7	Confident	76 Å²	76	71.3 Å²	71.3	37%	0.374	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.1	168.9	-174.6	-166.3	86.2	0	0	107.6	V757 Q758 Y759	M616-V757 HydrophobicContact CG-CG1 3.68Å; M616-V757 HydrophobicContact SD-CG1 4.31Å; M616-Q758 WeakPolarHBondContact CA-O 3.36Å; M616-Y759 HydrophobicContact CB-CD1 4.31Å; M616-Y759 HydrophobicContact CB-CE1 4.2Å; M616-Y759 HydrophobicContact CG-CD1 4Å; M616-Y759 HydrophobicContact CG-CE1 3.55Å; M616-Y759 HydrophobicContact SD-CE1 3.74Å
617	T	75.7	Confident	69.6	Low	62 Å²	62	80 Å²	80	38%	0.38	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	116.6	178.2	46.5	0	0	0	0	110.6	T615 Q758	T615-T617 HydrophobicContact CG2-CG2 4Å; T617-Q758 PolarHBondContact N-O 3.4Å; T617-Q758 PolarHBondContact O-N 3.34Å; T617-Q758 WeakPolarHBondContact OG1-CB 3.35Å
618	N	68.7	Low	67.1	Low	83 Å²	83	86.9 Å²	86.9	44%	0.444	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	118.6	172.1	-72.7	-4.8	0	0	0	109.2	Q620 V757	N618-Q620 VanDerWaalsContact C-N 3.26Å; N618-Q620 PolarHBondContact O-N 2.77Å; N618-V757 WeakPolarHBondContact OD1-CG1 3.35Å; N618-V757 WeakPolarHBondContact OD1-CG2 3.48Å
619	V	59.4	Low	64.9	Low	86 Å²	86	88 Å²	88	52%	0.521	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-23.9	-176.9	-176.7	0	0	0	0	111.9	R756	V619-R756 HydrophobicContact CB-CB 4.35Å; V619-R756 HydrophobicContact CG2-CB 4.28Å; V619-R756 HydrophobicContact CG2-CG 4.05Å; V619-R756 PolarHBondContact N-O 2.82Å; V619-R756 VanDerWaalsContact N-O 3.12Å
620	Q	51.8	Low	62.6	Low	151 Å²	151	91.9 Å²	91.9	71%	0.706	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	6.7	-175.5	-68.1	-178.5	-10.4	0	0	115.3	N618 S622	N618-Q620 VanDerWaalsContact C-N 3.26Å; N618-Q620 PolarHBondContact O-N 2.77Å; Q620-S622 PolarHBondContact O-N 3.17Å
621	G	48.2	Very low	60.4	Low	41 Å²	41	96.1 Å²	96.1	42%	0.423	50%	0.501	S	S	.	.	S	Bend	trans	-76	113.1	174.9	0	0	0	0	0	112.4
622	S	44.5	Very low	58	Low	98 Å²	98	106.1 Å²	106.1	69%	0.685	54%	0.538	S	S	*	.			trans	-33.5	135.6	171.8	177.8	0	0	0	0	113.2	Q620 F624 H625	Q620-S622 PolarHBondContact O-N 3.17Å; S622-F624 PolarHBondContact O-N 3.02Å; S622-H625 PolarHBondContact O-N 3.38Å; S622-H625 VanDerWaalsContact O-N 3.09Å
623	G	50.1	Low	56.1	Low	46 Å²	46	111.3 Å²	111.3	47%	0.474	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-53.2	-8.4	-169.9	0	0	0	0	0	116.8
624	F	48.2	Very low	54.5	Low	156 Å²	156	113.9 Å²	113.9	68%	0.684	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	-33.4	174.7	-153.1	-101.8	0	0	0	113.9	S622 R626	S622-F624 PolarHBondContact O-N 3.02Å; F624-R626 VanDerWaalsContact C-N 3.32Å; F624-R626 PolarHBondContact O-N 2.53Å
625	H	46.3	Very low	53.7	Low	159 Å²	159	118.8 Å²	118.8	74%	0.736	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-19.1	178.7	-97.1	63.7	0	0	0	113.6	S622 R627	S622-H625 PolarHBondContact O-N 3.38Å; S622-H625 VanDerWaalsContact O-N 3.09Å; H625-R627 PolarHBondContact O-N 2.98Å
626	R	48.2	Very low	53.5	Low	175 Å²	175	117.6 Å²	117.6	66%	0.66	60%	0.598	S	S	*	*	H	α-helix	trans	-68	-37.8	-177.3	-124.5	-174.1	-68.9	-133.3	-0.3	112.3	F624 F628 S629	F624-R626 VanDerWaalsContact C-N 3.32Å; F624-R626 PolarHBondContact O-N 2.53Å; R626-F628 VanDerWaalsContact C-N 3.32Å; R626-F628 PolarHBondContact O-N 3.3Å; R626-S629 PolarHBondContact O-N 2.72Å; R626-S629 PolarHBondContact O-OG 3.1Å
627	R	43.9	Very low	53.9	Low	207 Å²	207	116.5 Å²	116.5	78%	0.781	60%	0.595	S	S	*	*	H	α-helix	trans	-69.7	-22.9	-172.8	-66.8	-165	-165.5	-168.5	5.5	114.7	H625	H625-R627 PolarHBondContact O-N 2.98Å
628	F	40.5	Very low	54.5	Low	146 Å²	146	118.4 Å²	118.4	64%	0.64	60%	0.602	S	S	*	*	H	α-helix	trans	-103.6	-10.3	-179.5	-64.3	-72.4	0	0	0	114	R626	R626-F628 VanDerWaalsContact C-N 3.32Å; R626-F628 PolarHBondContact O-N 3.3Å
629	S	45.6	Very low	55.6	Low	75 Å²	75	114.6 Å²	114.6	52%	0.524	58%	0.582	S	S	.	*	H	α-helix	trans	-77.9	-32.6	178.8	72.6	0	0	0	0	113.5	R626 I631 R632	R626-S629 PolarHBondContact O-N 2.72Å; R626-S629 PolarHBondContact O-OG 3.1Å; S629-I631 PolarHBondContact O-N 2.84Å; S629-R632 PolarHBondContact O-N 3.5Å
630	S	45.3	Very low	57.3	Low	98 Å²	98	111 Å²	111	69%	0.685	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-16.3	-178.4	31.8	0	0	0	0	113.9
631	I	46.7	Very low	59.3	Low	147 Å²	147	103.8 Å²	103.8	75%	0.754	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	-22.7	179.6	-64.8	168.5	0	0	0	111.9	S629	S629-I631 PolarHBondContact O-N 2.84Å
632	R	42.6	Very low	61.5	Low	213 Å²	213	102.1 Å²	102.1	80%	0.804	51%	0.508	S	S	*	.	S	Bend	trans	-111.9	92.4	178.9	-157.4	-176	-69.4	-160.5	0.7	108.5	S629 S634	S629-R632 PolarHBondContact O-N 3.5Å; R632-S634 PolarHBondContact O-N 3.38Å
633	K	47.9	Very low	63.8	Low	199 Å²	199	97.4 Å²	97.4	87%	0.865	48%	0.475	S	S	*	.			trans	-43.2	109.5	169	-67.5	-177.6	-179.7	-179.2	0	107.9	K635	K633-K635 PolarHBondContact O-N 3.2Å
634	S	56	Low	65.7	Low	70 Å²	70	95.2 Å²	95.2	49%	0.49	45%	0.452	S	S	.	.			trans	-58.8	113.4	178.8	48.4	0	0	0	0	107.1	L614 R632 A636	L614-S634 PolarHBondContact O-OG 3.42Å; L614-S634 VanDerWaalsContact O-OG 3.08Å; R632-S634 PolarHBondContact O-N 3.38Å; S634-A636 PolarHBondContact O-N 3.29Å; S634-A636 VanDerWaalsContact O-N 3.1Å
635	K	63.8	Low	67.7	Low	148 Å²	148	89.5 Å²	89.5	64%	0.643	43%	0.432	S	S	*	.			trans	-60	120.8	-179.5	-173.2	174.3	179.6	174.1	0	107.2	K633 T637	K633-K635 PolarHBondContact O-N 3.2Å; K635-T637 PolarHBondContact O-N 3.06Å; K635-T637 VanDerWaalsContact O-N 3.11Å; K635-T637 PolarHBondContact O-OG1 2.92Å; K635-T637 VanDerWaalsContact O-OG1 3.05Å
636	A	73.5	Confident	69.6	Low	33 Å²	33	84.6 Å²	84.6	27%	0.273	41%	0.411	S	S	.	.			trans	-52	122.7	179.8	0	0	0	0	0	109.4	R612 L613 L614 S634	R612-A636 HydrophobicContact CG-CB 4.04Å; L613-A636 WeakPolarHBondContact O-CA 3.42Å; L614-A636 HydrophobicContact CD2-CB 3.99Å; S634-A636 PolarHBondContact O-N 3.29Å; S634-A636 VanDerWaalsContact O-N 3.1Å
637	T	84.9	Confident	71.5	Confident	54 Å²	54	77.9 Å²	77.9	33%	0.331	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	152.4	-175.6	-61.8	0	0	0	0	108.8	L613 K635 K652	L613-T637 PolarHBondContact N-O 3.18Å; L613-T637 PolarHBondContact O-N 2.83Å; K635-T637 PolarHBondContact O-N 3.06Å; K635-T637 VanDerWaalsContact O-N 3.11Å; K635-T637 PolarHBondContact O-OG1 2.92Å; K635-T637 VanDerWaalsContact O-OG1 3.05Å; T637-K652 HydrophobicContact CG2-CD 4.43Å
638	I	89	Confident	73.7	Confident	102 Å²	102	68 Å²	68	52%	0.523	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.2	174	-59.4	171.8	0	0	0	108	D610 L611	D610-I638 HydrophobicContact CB-CG2 3.89Å; L611-I638 WeakPolarHBondContact O-CA 3.34Å
639	A	91.6	Very high	76.1	Confident	2 Å²	2	61.1 Å²	61.1	2%	0.017	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	140.2	171.7	0	0	0	0	0	109.4	D610 L611 L613 L641 I650 T651 F761	D610-A639 CarbonylContact C-O 3.6Å; D610-A639 WeakPolarHBondContact CA-O 3.27Å; L611-A639 PolarHBondContact N-O 2.95Å; L611-A639 PolarHBondContact O-N 3.17Å; L613-A639 HydrophobicContact CB-CB 4.37Å; A639-L641 HydrophobicContact CB-CD1 3.94Å; A639-I650 HydrophobicContact CB-CG2 4.19Å; A639-T651 CarbonylContact C-O 3.57Å; A639-T651 WeakPolarHBondContact CA-O 3.35Å; A639-F761 HydrophobicContact CB-CE1 4.25Å
640	T	94.2	Very high	78.3	Confident	11 Å²	11	57.6 Å²	57.6	7%	0.067	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	119.6	173.1	-54	0	0	0	0	107.9	D610 F642 T651 K653	D610-T640 WeakPolarHBondContact OD1-CB 3Å; D610-T640 WeakPolarHBondContact OD1-CG2 3.16Å; D610-T640 PolarHBondContact OD1-OG1 3.27Å; T640-F642 HydrophobicContact CG2-CE2 3.77Å; T640-F642 HydrophobicContact CG2-CZ 3.75Å; T640-T651 WeakPolarHBondContact CB-OG1 3.23Å; T640-T651 PolarHBondContact N-O 3.48Å; T640-T651 PolarHBondContact O-N 3.06Å; T640-T651 PolarHBondContact O-OG1 2.74Å; T640-K653 WeakPolarHBondContact OG1-CE 3.29Å
641	L	94.4	Very high	80.5	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	141.6	-179.6	-79.1	69.4	0	0	0	109.8	E608 G609 L611 A639 L648 L649 I650 F761 W772	E608-L641 VanDerWaalsContact CA-O 3.3Å; E608-L641 WeakPolarHBondContact CA-O 3.47Å; G609-L641 PolarHBondContact N-O 2.9Å; G609-L641 VanDerWaalsContact N-O 3.08Å; G609-L641 PolarHBondContact O-N 3.4Å; L611-L641 HydrophobicContact CB-CD1 4.24Å; L611-L641 HydrophobicContact CD1-CD1 4.06Å; L611-L641 HydrophobicContact CD1-CD2 3.74Å; L611-L641 HydrophobicContact CD1-CG 4.38Å; L611-L641 HydrophobicContact CG-CD1 4.4Å; A639-L641 HydrophobicContact CB-CD1 3.94Å; L641-L648 HydrophobicContact CD2-CD1 4.36Å; L641-L649 WeakPolarHBondContact CA-O 3.23Å; L641-I650 HydrophobicContact CG-CG1 4.23Å; L641-F761 HydrophobicContact CD1-CE1 3.86Å; L641-F761 HydrophobicContact CD1-CZ 3.94Å; L641-F761 HydrophobicContact CD2-CE2 4.11Å; L641-F761 HydrophobicContact CD2-CZ 4Å; L641-F761 HydrophobicContact CG-CZ 4.47Å; L641-W772 HydrophobicContact CB-CH2 3.37Å; L641-W772 HydrophobicContact CB-CZ2 4.01Å; L641-W772 HydrophobicContact CB-CZ3 3.83Å; L641-W772 HydrophobicContact CD2-CH2 4.46Å; L641-W772 HydrophobicContact CD2-CZ3 4.21Å
642	F	93.6	Very high	82.6	Confident	5 Å²	5	50.2 Å²	50.2	2%	0.022	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	111	167.7	-56.6	-90.6	0	0	0	108.4	I585 L605 E608 T640 F644 L649 T651 L659	I585-F642 HydrophobicContact CD1-CD1 3.68Å; I585-F642 HydrophobicContact CD1-CE1 3.81Å; I585-F642 HydrophobicContact CG1-CD1 4.22Å; I585-F642 HydrophobicContact CG1-CE1 3.91Å; I585-F642 HydrophobicContact CG2-CD1 4.33Å; I585-F642 HydrophobicContact CG2-CE1 4.3Å; L605-F642 HydrophobicContact CD1-CB 4.07Å; L605-F642 HydrophobicContact CD1-CD1 4.2Å; E608-F642 HydrophobicContact CB-CD1 3.75Å; E608-F642 HydrophobicContact CB-CE1 4.06Å; E608-F642 WeakPolarHBondContact OE2-CE1 3.18Å; T640-F642 HydrophobicContact CG2-CE2 3.77Å; T640-F642 HydrophobicContact CG2-CZ 3.75Å; F642-F644 HydrophobicContact CB-CE2 3.75Å; F642-F644 HydrophobicContact CB-CZ 3.9Å; F642-L649 HydrophobicContact CB-CB 4.18Å; F642-L649 HydrophobicContact CD2-CD2 4.09Å; F642-L649 PolarHBondContact N-O 3.07Å; F642-L649 PolarHBondContact O-N 3.01Å; F642-T651 HydrophobicContact CD2-CG2 4.14Å; F642-T651 HydrophobicContact CE2-CG2 4.1Å; F642-L659 HydrophobicContact CE2-CD1 3.68Å; F642-L659 HydrophobicContact CZ-CD1 3.52Å
643	L	93	Very high	84.7	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	114	174.1	174	65.8	0	0	0	108.5	V606 K607 L648 L667 W772 G775 L776	V606-L643 WeakPolarHBondContact CA-O 3.48Å; V606-L643 HydrophobicContact CB-CD2 4.14Å; V606-L643 HydrophobicContact CB-CG 4.05Å; V606-L643 HydrophobicContact CG1-CD2 3.94Å; V606-L643 HydrophobicContact CG1-CG 4.4Å; V606-L643 PolarHBondContact N-O 3.12Å; K607-L643 HydrophobicContact CB-CB 4.17Å; K607-L643 HydrophobicContact CB-CD2 4.15Å; K607-L643 PolarHBondContact N-O 2.78Å; K607-L643 WeakPolarHBondContact O-CB 3.29Å; K607-L643 PolarHBondContact O-N 3.21Å; L643-L648 HydrophobicContact CB-CD1 4.03Å; L643-L648 HydrophobicContact CD1-CD1 4.12Å; L643-L667 HydrophobicContact CD1-CD1 4.04Å; L643-L667 HydrophobicContact CD1-CD2 3.4Å; L643-L667 VanDerWaalsContact CD1-CD2 3.4Å; L643-L667 HydrophobicContact CD1-CG 4.27Å; L643-W772 HydrophobicContact CB-CZ3 3.88Å; L643-G775 VanDerWaalsContact CD2-C 3.4Å; L643-L776 HydrophobicContact CD1-CD2 3.95Å
644	F	91.5	Very high	86.4	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	170.2	170.7	-56.2	-80.9	0	0	0	111	L582 L598 R603 T604 L605 F642 D646 Y647 L649 L667	L582-F644 HydrophobicContact CD1-CD1 4.35Å; L582-F644 HydrophobicContact CD1-CE1 3.6Å; L582-F644 HydrophobicContact CD1-CZ 4.16Å; L598-F644 HydrophobicContact CD2-CE2 4.36Å; R603-F644 HydrophobicContact CG-CB 3.6Å; R603-F644 HydrophobicContact CG-CD1 3.77Å; R603-F644 HydrophobicContact CG-CG 3.86Å; T604-F644 CarbonylContact O-C 3.58Å; T604-F644 WeakPolarHBondContact O-CA 3.06Å; T604-F644 WeakPolarHBondContact O-CB 3.43Å; L605-F644 HydrophobicContact CB-CD1 4.28Å; L605-F644 HydrophobicContact CB-CE1 4.35Å; L605-F644 HydrophobicContact CD1-CD1 3.98Å; L605-F644 HydrophobicContact CD1-CE1 3.77Å; L605-F644 HydrophobicContact CD1-CZ 4.27Å; F642-F644 HydrophobicContact CB-CE2 3.75Å; F642-F644 HydrophobicContact CB-CZ 3.9Å; F644-D646 PolarHBondContact O-N 2.87Å; F644-D646 VanDerWaalsContact O-N 3.12Å; F644-Y647 WeakPolarHBondContact CA-O 3.33Å; F644-Y647 VanDerWaalsContact CB-O 3.32Å; F644-Y647 WeakPolarHBondContact CB-O 3.46Å; F644-Y647 PolarHBondContact N-O 3.05Å; F644-L649 HydrophobicContact CE2-CB 4.24Å; F644-L667 WeakPolarHBondContact O-CD1 3.26Å
645	S	88.4	Confident	87.4	Confident	36 Å²	36	43.6 Å²	43.6	25%	0.252	22%	0.219	S	C	.	.	S	Bend	trans	-55.2	-27	179.1	50.1	0	0	0	0	115.1	T604 L667	T604-S645 PolarHBondContact N-OG 3.39Å; T604-S645 PolarHBondContact O-N 2.84Å; S645-L667 WeakPolarHBondContact O-CD1 3.36Å
646	D	86.9	Confident	88.1	Confident	56 Å²	56	43.1 Å²	43.1	30%	0.299	22%	0.224	S	C	.	.	S	Bend	trans	-131.1	-8.5	-173.9	64.3	-41	0	0	0	113.3	R603 F644 S666 L667	R603-D646 WeakPolarHBondContact CG-OD1 3.41Å; R603-D646 IonicContact CZ-OD1 2.78Å; R603-D646 IonicContact CZ-OD2 3.64Å; R603-D646 IonicContact NE-OD1 3.52Å; R603-D646 PolarHBondContact NE-OD1 3.49Å; R603-D646 IonicContact NE-OD2 2.69Å; R603-D646 PolarHBondContact NE-OD2 2.84Å; R603-D646 IonicContact NH2-OD1 3.18Å; R603-D646 IonicContact NH2-OD2 3.77Å; R603-D646 PolarHBondContact NH2-OD2 3.16Å; F644-D646 PolarHBondContact O-N 2.87Å; F644-D646 VanDerWaalsContact O-N 3.12Å; D646-S666 WeakPolarHBondContact O-CA 3.44Å; D646-S666 PolarHBondContact O-OG 3.14Å; D646-L667 PolarHBondContact O-N 3.19Å
647	Y	87.8	Confident	88.5	Confident	34 Å²	34	48.5 Å²	48.5	13%	0.133	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	142.2	-164.1	-147.4	-111.3	0	0	0	111.8	L598 F644 S664	L598-Y647 HydrophobicContact CD2-CD1 3.79Å; L598-Y647 HydrophobicContact CD2-CE1 4.01Å; F644-Y647 WeakPolarHBondContact CA-O 3.33Å; F644-Y647 VanDerWaalsContact CB-O 3.32Å; F644-Y647 WeakPolarHBondContact CB-O 3.46Å; F644-Y647 PolarHBondContact N-O 3.05Å; Y647-S664 PolarHBondContact OH-OG 2.96Å
648	L	91.2	Very high	88.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.1	172.2	180	66.7	0	0	0	109.8	L641 L643 S664 C665 L667 I670 L747 M749 L776	L641-L648 HydrophobicContact CD2-CD1 4.36Å; L643-L648 HydrophobicContact CB-CD1 4.03Å; L643-L648 HydrophobicContact CD1-CD1 4.12Å; L648-S664 WeakPolarHBondContact O-CA 3.35Å; L648-C665 PolarHBondContact N-O 3.09Å; L648-C665 PolarHBondContact O-N 3.35Å; L648-L667 HydrophobicContact CB-CD2 4.22Å; L648-I670 HydrophobicContact CB-CD1 3.53Å; L648-I670 HydrophobicContact CD2-CD1 3.64Å; L648-I670 HydrophobicContact CG-CD1 4.24Å; L648-L747 HydrophobicContact CD2-CD1 4.2Å; L648-L747 HydrophobicContact CD2-CD2 3.56Å; L648-M749 HydrophobicContact CD2-CE 4.22Å; L648-L776 HydrophobicContact CD1-CD2 4.1Å; L648-L776 HydrophobicContact CD2-CD2 3.79Å; L648-L776 HydrophobicContact CG-CD2 4.49Å
649	L	90.9	Very high	88.6	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	125.2	177.6	-168	70.9	0	0	0	110.4	L589 L598 L641 F642 F644 T651 V661	L589-L649 HydrophobicContact CD1-CD2 3.57Å; L589-L649 HydrophobicContact CD2-CD2 3.67Å; L589-L649 HydrophobicContact CG-CD2 4.31Å; L598-L649 HydrophobicContact CD1-CD2 3.75Å; L641-L649 WeakPolarHBondContact CA-O 3.23Å; F642-L649 HydrophobicContact CB-CB 4.18Å; F642-L649 HydrophobicContact CD2-CD2 4.09Å; F642-L649 PolarHBondContact N-O 3.07Å; F642-L649 PolarHBondContact O-N 3.01Å; F644-L649 HydrophobicContact CE2-CB 4.24Å; L649-T651 HydrophobicContact CD2-CG2 3.7Å; L649-T651 HydrophobicContact CG-CG2 3.71Å; L649-V661 HydrophobicContact CD1-CB 4.31Å; L649-V661 HydrophobicContact CD1-CG1 3.46Å; L649-V661 VanDerWaalsContact CD1-CG1 3.46Å; L649-V661 HydrophobicContact CD1-CG2 3.86Å; L649-V661 HydrophobicContact CD2-CG2 4.19Å; L649-V661 HydrophobicContact CG-CG1 4.41Å; L649-V661 HydrophobicContact CG-CG2 4.31Å
650	I	91.5	Very high	88.5	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.8	171.4	-58.2	-174.5	0	0	0	108.5	A639 L641 E662 D663 L747 M749 Y759 F761	A639-I650 HydrophobicContact CB-CG2 4.19Å; L641-I650 HydrophobicContact CG-CG1 4.23Å; I650-E662 PolarHBondContact O-N 3.39Å; I650-D663 HydrophobicContact CB-CB 4.36Å; I650-D663 PolarHBondContact N-O 2.85Å; I650-D663 PolarHBondContact O-N 2.87Å; I650-L747 HydrophobicContact CD1-CD2 4.15Å; I650-M749 HydrophobicContact CD1-CE 3.16Å; I650-M749 HydrophobicContact CG1-CE 3.86Å; I650-Y759 HydrophobicContact CD1-CD1 4.03Å; I650-Y759 HydrophobicContact CD1-CD2 3.93Å; I650-Y759 HydrophobicContact CD1-CE1 3.94Å; I650-Y759 HydrophobicContact CD1-CE2 3.82Å; I650-Y759 HydrophobicContact CD1-CG 4.05Å; I650-F761 HydrophobicContact CD1-CE2 4.47Å; I650-F761 HydrophobicContact CD1-CZ 4.05Å
651	T	91.8	Very high	88.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	154.7	-178.9	71.8	0	0	0	0	112.5	L589 A639 T640 F642 L649 L660 V661	L589-T651 HydrophobicContact CD2-CG2 3.72Å; A639-T651 CarbonylContact C-O 3.57Å; A639-T651 WeakPolarHBondContact CA-O 3.35Å; T640-T651 WeakPolarHBondContact CB-OG1 3.23Å; T640-T651 PolarHBondContact N-O 3.48Å; T640-T651 PolarHBondContact O-N 3.06Å; T640-T651 PolarHBondContact O-OG1 2.74Å; F642-T651 HydrophobicContact CD2-CG2 4.14Å; F642-T651 HydrophobicContact CE2-CG2 4.1Å; L649-T651 HydrophobicContact CD2-CG2 3.7Å; L649-T651 HydrophobicContact CG-CG2 3.71Å; T651-L660 CarbonylContact C-O 3.56Å; T651-L660 VanDerWaalsContact CA-O 3.26Å; T651-L660 WeakPolarHBondContact CA-O 3.26Å; T651-L660 WeakPolarHBondContact CB-O 3.29Å; T651-V661 HydrophobicContact CG2-CG2 4.17Å
652	K	89.2	Confident	87.8	Confident	90 Å²	90	48.5 Å²	48.5	39%	0.391	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	132.1	172.3	-172.6	172.4	-178.4	170.3	0	109.7	T637 R654 L660	T637-K652 HydrophobicContact CG2-CD 4.43Å; K652-R654 PolarHBondContact O-N 2.82Å; K652-L660 PolarHBondContact N-O 3.37Å; K652-L660 PolarHBondContact O-N 3.43Å
653	K	87.6	Confident	87.4	Confident	109 Å²	109	49.6 Å²	49.6	47%	0.474	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	128.7	177.2	-63.1	-174.8	-176.8	178.7	0	110.7	D610 T640 L659	D610-K653 VanDerWaalsContact CG-NZ 3.3Å; D610-K653 VanDerWaalsContact OD1-CE 3.23Å; D610-K653 WeakPolarHBondContact OD1-CE 3.36Å; D610-K653 IonicContact OD1-NZ 3.85Å; D610-K653 PolarHBondContact OD1-NZ 2.98Å; D610-K653 IonicContact OD2-NZ 3.2Å; D610-K653 PolarHBondContact OD2-NZ 3.15Å; T640-K653 WeakPolarHBondContact OG1-CE 3.29Å; K653-L659 HydrophobicContact CB-CD2 4.39Å; K653-L659 HydrophobicContact CG-CD2 3.77Å
654	R	83.4	Confident	87.2	Confident	144 Å²	144	51.3 Å²	51.3	54%	0.543	26%	0.256	S	S	.	.			trans	-104	-180	169	-72.8	-70.2	-175.4	166.5	1.3	109.9	K652 H658 L660	K652-R654 PolarHBondContact O-N 2.82Å; R654-H658 HydrophobicContact CB-CB 4.44Å; R654-H658 PolarHBondContact N-O 2.83Å; R654-L660 HydrophobicContact CG-CB 3.74Å
655	S	77.5	Confident	86.9	Confident	90 Å²	90	51.6 Å²	51.6	63%	0.629	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-62.4	158.8	169.1	46.1	0	0	0	0	111	Q657 H658	S655-Q657 PolarHBondContact O-N 3.19Å; S655-H658 PolarHBondContact O-N 3.39Å
656	N	79.1	Confident	86.9	Confident	139 Å²	139	51.6 Å²	51.6	74%	0.743	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	62.2	34.2	173	-54.3	-14.5	0	0	0	115.9	H658	N656-H658 PolarHBondContact O-CD2 3.22Å; N656-H658 PolarHBondContact O-N 2.87Å; N656-H658 VanDerWaalsContact O-N 3.09Å
657	Q	80	Confident	86.9	Confident	146 Å²	146	51 Å²	51	68%	0.682	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	66.8	1.6	178.6	-57.9	-72.2	-4.6	0	0	116	R588 S655	R588-Q657 PolarHBondContact NE-O 3.43Å; R588-Q657 PolarHBondContact NH2-O 3.27Å; R588-Q657 VanDerWaalsContact NH2-O 3.12Å; S655-Q657 PolarHBondContact O-N 3.19Å
658	H	87.3	Confident	86.8	Confident	66 Å²	66	53.2 Å²	53.2	31%	0.306	27%	0.274	S	S	.	.			trans	-74.9	150.3	174.5	-72.7	-88.4	0	0	0	111.8	R588 E590 R654 S655 N656	R588-H658 WeakPolarHBondContact O-CA 3.34Å; E590-H658 HydrophobicContact CG-CB 4.32Å; E590-H658 IonicContact OE1-CD2 3.99Å; E590-H658 IonicContact OE1-CE1 3.37Å; E590-H658 IonicContact OE1-CG 3.72Å; E590-H658 VanDerWaalsContact OE1-CG 3.32Å; E590-H658 IonicContact OE1-ND1 2.78Å; E590-H658 PolarHBondContact OE1-ND1 3.39Å; R654-H658 HydrophobicContact CB-CB 4.44Å; R654-H658 PolarHBondContact N-O 2.83Å; S655-H658 PolarHBondContact O-N 3.39Å; N656-H658 PolarHBondContact O-CD2 3.22Å; N656-H658 PolarHBondContact O-N 2.87Å; N656-H658 VanDerWaalsContact O-N 3.09Å
659	L	89	Confident	86.6	Confident	3 Å²	3	57.7 Å²	57.7	2%	0.016	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	113.9	-175.7	-64.1	175.2	0	0	0	108.1	R588 L589 E590 F642 K653	R588-L659 PolarHBondContact O-N 3.01Å; L589-L659 WeakPolarHBondContact CA-O 3.49Å; L589-L659 HydrophobicContact CD2-CB 3.9Å; E590-L659 PolarHBondContact N-O 2.85Å; F642-L659 HydrophobicContact CE2-CD1 3.68Å; F642-L659 HydrophobicContact CZ-CD1 3.52Å; K653-L659 HydrophobicContact CB-CD2 4.39Å; K653-L659 HydrophobicContact CG-CD2 3.77Å
660	L	89.4	Confident	86.5	Confident	17 Å²	17	58.2 Å²	58.2	9%	0.089	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	122.7	176	179.2	62.4	0	0	0	109	E590 K592 T651 K652 R654 E662	E590-L660 HydrophobicContact CB-CD1 4.35Å; K592-L660 HydrophobicContact CG-CD1 3.78Å; K592-L660 HydrophobicContact CG-CG 4.43Å; T651-L660 CarbonylContact C-O 3.56Å; T651-L660 VanDerWaalsContact CA-O 3.26Å; T651-L660 WeakPolarHBondContact CA-O 3.26Å; T651-L660 WeakPolarHBondContact CB-O 3.29Å; K652-L660 PolarHBondContact N-O 3.37Å; K652-L660 PolarHBondContact O-N 3.43Å; R654-L660 HydrophobicContact CG-CB 3.74Å; L660-E662 PolarHBondContact O-N 3.35Å
661	V	88.3	Confident	86.2	Confident	13 Å²	13	63.5 Å²	63.5	8%	0.079	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	118.3	172.3	179.4	0	0	0	0	109	L589 E590 Y591 L649 T651	L589-V661 HydrophobicContact CB-CG2 4.42Å; L589-V661 HydrophobicContact CD2-CG2 3.79Å; E590-V661 PolarHBondContact O-N 3.02Å; Y591-V661 HydrophobicContact CD1-CB 3.85Å; Y591-V661 HydrophobicContact CD1-CG1 4.19Å; Y591-V661 HydrophobicContact CD1-CG2 3.7Å; Y591-V661 HydrophobicContact CE1-CB 4.18Å; Y591-V661 HydrophobicContact CE1-CG1 4.33Å; Y591-V661 HydrophobicContact CE1-CG2 3.61Å; Y591-V661 HydrophobicContact CG-CG2 4.44Å; L649-V661 HydrophobicContact CD1-CB 4.31Å; L649-V661 HydrophobicContact CD1-CG1 3.46Å; L649-V661 VanDerWaalsContact CD1-CG1 3.46Å; L649-V661 HydrophobicContact CD1-CG2 3.86Å; L649-V661 HydrophobicContact CD2-CG2 4.19Å; L649-V661 HydrophobicContact CG-CG1 4.41Å; L649-V661 HydrophobicContact CG-CG2 4.31Å; T651-V661 HydrophobicContact CG2-CG2 4.17Å
662	E	85.5	Confident	86	Confident	69 Å²	69	64.2 Å²	64.2	32%	0.322	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	-44.8	177.8	-174.7	164.6	-173.4	0	0	110.8	I650 L660	I650-E662 PolarHBondContact O-N 3.39Å; L660-E662 PolarHBondContact O-N 3.35Å
663	D	86.9	Confident	85.8	Confident	28 Å²	28	65 Å²	65	15%	0.15	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	157.2	176.6	-153.5	0.1	0	0	0	111.7	I650 H754 Y759	I650-D663 HydrophobicContact CB-CB 4.36Å; I650-D663 PolarHBondContact N-O 2.85Å; I650-D663 PolarHBondContact O-N 2.87Å; D663-H754 IonicContact OD1-CE1 3.5Å; D663-H754 IonicContact OD1-NE2 3.8Å; D663-H754 PolarHBondContact OD1-NE2 2.93Å; D663-H754 IonicContact OD2-CE1 3.12Å; D663-H754 PolarHBondContact OD2-CE1 3.44Å; D663-H754 VanDerWaalsContact OD2-CE1 3.23Å; D663-H754 IonicContact OD2-NE2 3.94Å; D663-H754 PolarHBondContact OD2-NE2 3.43Å; D663-Y759 WeakPolarHBondContact CB-OH 3.18Å; D663-Y759 PolarHBondContact OD2-OH 2.93Å
664	S	87	Confident	85.5	Confident	36 Å²	36	61.9 Å²	61.9	25%	0.252	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	134.2	179.8	80.8	0	0	0	0	111.7	Y647 L648	Y647-S664 PolarHBondContact OH-OG 2.96Å; L648-S664 WeakPolarHBondContact O-CA 3.35Å
665	C	87.1	Confident	85	Confident	6 Å²	6	59.3 Å²	59.3	4%	0.041	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	152.2	-175.2	-166.1	0	0	0	0	112.3	L648 I670 M749	L648-C665 PolarHBondContact N-O 3.09Å; L648-C665 PolarHBondContact O-N 3.35Å; C665-I670 HydrophobicContact CB-CD1 4.38Å; C665-M749 HydrophobicContact CB-CG 4.32Å; C665-M749 HydrophobicContact CB-SD 3.5Å; C665-M749 VanDerWaalsContact CB-SD 3.5Å
666	S	87.6	Confident	84.3	Confident	36 Å²	36	60.9 Å²	60.9	25%	0.252	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	146.3	172.5	178.2	0	0	0	0	110.8	D646 S668 Y669	D646-S666 WeakPolarHBondContact O-CA 3.44Å; D646-S666 PolarHBondContact O-OG 3.14Å; S666-S668 PolarHBondContact O-N 3.03Å; S666-S668 VanDerWaalsContact O-N 3.13Å; S666-S668 PolarHBondContact OG-N 2.74Å; S666-S668 PolarHBondContact OG-OG 2.73Å; S666-Y669 PolarHBondContact O-N 3.45Å
667	L	87	Confident	83.6	Confident	45 Å²	45	55.2 Å²	55.2	24%	0.236	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-60.4	-21.9	175.9	-66.1	-177	0	0	0	114.1	L643 F644 S645 D646 L648 Y669 I670	L643-L667 HydrophobicContact CD1-CD1 4.04Å; L643-L667 HydrophobicContact CD1-CD2 3.4Å; L643-L667 VanDerWaalsContact CD1-CD2 3.4Å; L643-L667 HydrophobicContact CD1-CG 4.27Å; F644-L667 WeakPolarHBondContact O-CD1 3.26Å; S645-L667 WeakPolarHBondContact O-CD1 3.36Å; D646-L667 PolarHBondContact O-N 3.19Å; L648-L667 HydrophobicContact CB-CD2 4.22Å; L667-Y669 PolarHBondContact O-N 3.37Å; L667-I670 HydrophobicContact CD2-CD1 3.89Å; L667-I670 PolarHBondContact O-N 2.86Å
668	S	85.8	Confident	82.9	Confident	79 Å²	79	51.1 Å²	51.1	55%	0.552	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-64.2	-20.7	174.6	54.8	0	0	0	0	114	S666	S666-S668 PolarHBondContact O-N 3.03Å; S666-S668 VanDerWaalsContact O-N 3.13Å; S666-S668 PolarHBondContact OG-N 2.74Å; S666-S668 PolarHBondContact OG-OG 2.73Å
669	Y	86.6	Confident	81.9	Confident	94 Å²	94	54 Å²	54	37%	0.369	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-111.9	16.5	-175	-58.8	-50.2	0	0	0	112.8	S666 L667 M749 E750 P752	S666-Y669 PolarHBondContact O-N 3.45Å; L667-Y669 PolarHBondContact O-N 3.37Å; Y669-M749 WeakPolarHBondContact O-CA 3.31Å; Y669-E750 WeakPolarHBondContact CB-O 3.34Å; Y669-E750 PolarHBondContact O-N 3.12Å; Y669-P752 VanDerWaalsContact CE1-CD 3.46Å; Y669-P752 HydrophobicContact CE1-CG 4.33Å; Y669-P752 VanDerWaalsContact CZ-CD 3.48Å
670	I	88.1	Confident	81	Confident	13 Å²	13	61 Å²	61	7%	0.067	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	130.8	-175.8	-76.7	165.4	0	0	0	110.4	L648 C665 L667 V672 L747 M749	L648-I670 HydrophobicContact CB-CD1 3.53Å; L648-I670 HydrophobicContact CD2-CD1 3.64Å; L648-I670 HydrophobicContact CG-CD1 4.24Å; C665-I670 HydrophobicContact CB-CD1 4.38Å; L667-I670 HydrophobicContact CD2-CD1 3.89Å; L667-I670 PolarHBondContact O-N 2.86Å; I670-V672 HydrophobicContact CG2-CG2 3.97Å; I670-L747 HydrophobicContact CG2-CD1 3.38Å; I670-M749 HydrophobicContact CG1-CG 4.21Å
671	H	86.2	Confident	80.5	Confident	111 Å²	111	61.6 Å²	61.6	51%	0.514	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	144.2	171.1	-62.2	-54.8	0	0	0	110.3	I748	H671-I748 HydrophobicContact CB-CB 4.32Å; H671-I748 PolarHBondContact N-O 3.34Å; H671-I748 PolarHBondContact O-N 3.19Å
672	V	88	Confident	80.1	Confident	14 Å²	14	65 Å²	65	9%	0.085	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	126.8	-175	-164.4	0	0	0	0	111.5	I670 F745 I746 L747 L773 L776 R780	I670-V672 HydrophobicContact CG2-CG2 3.97Å; V672-F745 HydrophobicContact CG1-CD2 3.82Å; V672-F745 HydrophobicContact CG1-CE2 4.46Å; V672-I746 WeakPolarHBondContact CA-O 3.44Å; V672-I746 WeakPolarHBondContact CG1-O 3.29Å; V672-L747 HydrophobicContact CG2-CD1 3.92Å; V672-L773 HydrophobicContact CB-CD2 4.35Å; V672-L773 HydrophobicContact CG1-CD2 3.22Å; V672-L776 HydrophobicContact CG2-CB 3.66Å; V672-L776 HydrophobicContact CG2-CD1 4.12Å; V672-L776 HydrophobicContact CG2-CG 4.45Å; V672-R780 PolarHBondContact O-NH2 2.83Å
673	E	84.8	Confident	80	Confident	106 Å²	106	62 Å²	62	50%	0.495	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127	177.3	-63.3	175.8	-176.9	0	0	109.2	F745 I746	E673-F745 CarbonylContact O-C 3.52Å; E673-F745 WeakPolarHBondContact O-CA 3.38Å; E673-I746 HydrophobicContact CB-CB 4.32Å; E673-I746 PolarHBondContact N-O 3.46Å; E673-I746 PolarHBondContact O-N 3.46Å
674	A	81.4	Confident	79.8	Confident	45 Å²	45	62.8 Å²	62.8	37%	0.372	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	134.2	174.9	0	0	0	0	0	109.5	L773	A674-L773 HydrophobicContact CB-CD1 3.74Å
675	H	71.9	Confident	79.5	Confident	90 Å²	90	61.9 Å²	61.9	42%	0.417	34%	0.335	S	S	.	.	P	Polyproline II helix	trans	-76.4	153	167.9	-73.3	-79.2	0	0	0	110.8	A677 S744 I746 R769	H675-A677 PolarHBondContact O-N 2.98Å; H675-S744 PolarHBondContact N-O 2.8Å; H675-I746 VanDerWaalsContact NE2-CD1 3.29Å; H675-I746 WeakPolarHBondContact NE2-CD1 3.3Å; H675-I746 WeakPolarHBondContact NE2-CG1 3.33Å; H675-R769 PolarHBondContact O-NH1 2.89Å
676	N	64.3	Low	79.1	Confident	122 Å²	122	61.9 Å²	61.9	65%	0.652	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-49.5	135	-176.6	-65.5	10.4	0	0	0	112.1	H700	N676-H700 VanDerWaalsContact CG-CE1 3.43Å; N676-H700 PolarHBondContact OD1-NE2 2.81Å
677	A	62.5	Low	78.2	Confident	20 Å²	20	60.6 Å²	60.6	17%	0.165	33%	0.326	C	S	.	.	P	Polyproline II helix	trans	-66.9	148.5	173.4	0	0	0	0	0	110.4	H675 C681	H675-A677 PolarHBondContact O-N 2.98Å; A677-C681 HydrophobicContact CB-CB 4.01Å
678	L	66.6	Low	77	Confident	60 Å²	60	66.6 Å²	66.6	31%	0.314	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-57.3	152.4	172.7	-77.9	142.2	0	0	0	110.5	N680 C681 N741 F743	L678-N680 PolarHBondContact O-N 3.45Å; L678-C681 WeakPolarHBondContact O-CB 3.37Å; L678-C681 PolarHBondContact O-N 3.12Å; L678-N741 HydrophobicContact CD1-CB 3.87Å; L678-F743 HydrophobicContact CD1-CE1 3.92Å; L678-F743 HydrophobicContact CD1-CE2 4.47Å; L678-F743 HydrophobicContact CD1-CZ 3.88Å
679	P	65.5	Low	75.7	Confident	128 Å²	128	63.9 Å²	63.9	83%	0.831	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-27.2	-173	-25.7	32.8	0	0	0	115.3
680	N	70.7	Confident	74.3	Confident	148 Å²	148	62.8 Å²	62.8	79%	0.791	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	6.9	-177.3	-63.3	-14.6	0	0	0	113.4	L678	L678-N680 PolarHBondContact O-N 3.45Å
681	C	78.3	Confident	73	Confident	30 Å²	30	65.7 Å²	65.7	20%	0.203	36%	0.359	C	S	.	.			trans	-100.7	130.6	-180	-65.7	0	0	0	0	110.3	A677 L678 F743 L766	A677-C681 HydrophobicContact CB-CB 4.01Å; L678-C681 WeakPolarHBondContact O-CB 3.37Å; L678-C681 PolarHBondContact O-N 3.12Å; C681-F743 HydrophobicContact CB-CE1 4.41Å; C681-F743 VanDerWaalsContact SG-CE1 3.54Å; C681-L766 HydrophobicContact CB-CD2 4.16Å
682	F	80	Confident	71.9	Confident	86 Å²	86	65 Å²	65	38%	0.377	36%	0.364	S	S	.	.			trans	-124.5	146.4	176.1	58.7	-99.4	0	0	0	110.7	H684 S826	F682-H684 AromaticContact CD2-CD2 3.16Å; F682-H684 WeakPolarHBondContact CD2-CD2 3.39Å; F682-H684 AromaticContact CD2-NE2 3.28Å; F682-H684 VanDerWaalsContact CD2-NE2 3.28Å; F682-H684 WeakPolarHBondContact CD2-NE2 3.46Å; F682-H684 AromaticContact CE2-CD2 3.54Å; F682-H684 AromaticContact CE2-NE2 3.81Å; F682-H684 AromaticContact CG-NE2 3.73Å; F682-S826 VanDerWaalsContact CD1-CB 3.45Å; F682-S826 VanDerWaalsContact CZ-CA 3.48Å; F682-S826 PolarHBondContact N-OG 3.3Å; F682-S826 PolarHBondContact O-N 3.33Å; F682-S826 VanDerWaalsContact O-N 3.09Å
683	I	83.5	Confident	70.8	Confident	6 Å²	6	72.2 Å²	72.2	3%	0.031	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	112.1	173.4	-56.3	173.1	0	0	0	105.6	H685 V701 T702 L766 E770 V823 L825	I683-H685 VanDerWaalsContact CG2-CE1 3.5Å; I683-H685 WeakPolarHBondContact CG2-CE1 3.32Å; I683-V701 HydrophobicContact CB-CG2 4.17Å; I683-V701 HydrophobicContact CG2-CG2 4.03Å; I683-T702 PolarHBondContact O-N 2.99Å; I683-L766 HydrophobicContact CD1-CD1 4.42Å; I683-L766 HydrophobicContact CG1-CD2 4.33Å; I683-E770 VanDerWaalsContact CD1-CD 3.48Å; I683-E770 HydrophobicContact CD1-CG 3.92Å; I683-V823 HydrophobicContact CG2-CG1 4.04Å; I683-L825 HydrophobicContact CB-CD2 4.32Å; I683-L825 HydrophobicContact CG1-CD2 3.99Å; I683-L825 HydrophobicContact CG2-CD2 3.88Å
684	H	83.8	Confident	69.7	Low	44 Å²	44	67.9 Å²	67.9	20%	0.204	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122	179.9	-70.5	-52.7	0	0	0	110.7	F682 F686 T702 V704 V823 S824	F682-H684 AromaticContact CD2-CD2 3.16Å; F682-H684 WeakPolarHBondContact CD2-CD2 3.39Å; F682-H684 AromaticContact CD2-NE2 3.28Å; F682-H684 VanDerWaalsContact CD2-NE2 3.28Å; F682-H684 WeakPolarHBondContact CD2-NE2 3.46Å; F682-H684 AromaticContact CE2-CD2 3.54Å; F682-H684 AromaticContact CE2-NE2 3.81Å; F682-H684 AromaticContact CG-NE2 3.73Å; H684-F686 HydrophobicContact CB-CE2 4.46Å; H684-F686 HydrophobicContact CB-CZ 4.34Å; H684-T702 VanDerWaalsContact CA-O 3.3Å; H684-T702 WeakPolarHBondContact CA-O 3.28Å; H684-V704 HydrophobicContact CB-CG2 4.48Å; H684-V704 WeakPolarHBondContact ND1-CG2 3.36Å; H684-V823 CarbonylContact O-C 3.57Å; H684-V823 WeakPolarHBondContact O-CA 3.46Å; H684-S824 PolarHBondContact N-O 2.9Å; H684-S824 PolarHBondContact O-N 3.45Å
685	H	80.8	Confident	68.8	Low	16 Å²	16	69 Å²	69	7%	0.074	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.9	171.4	-72.2	54.7	0	0	0	109.5	I683 V701 T702 Y703 V704 R780 H781	I683-H685 VanDerWaalsContact CG2-CE1 3.5Å; I683-H685 WeakPolarHBondContact CG2-CE1 3.32Å; H685-V701 HydrophobicContact CB-CG1 4.09Å; H685-V701 VanDerWaalsContact CE1-CG1 3.46Å; H685-V701 WeakPolarHBondContact CE1-CG1 3.31Å; H685-V701 WeakPolarHBondContact ND1-CG1 3.47Å; H685-T702 PolarHBondContact N-O 2.96Å; H685-Y703 WeakPolarHBondContact O-CA 3.34Å; H685-Y703 WeakPolarHBondContact O-CD2 3.05Å; H685-V704 PolarHBondContact O-N 2.88Å; H685-R780 PolarHBondContact NE2-O 2.72Å; H685-H781 AromaticContact CE1-CE1 3.86Å; H685-H781 AromaticContact CE1-ND1 3.26Å; H685-H781 PolarHBondContact CE1-ND1 3.07Å; H685-H781 VanDerWaalsContact CE1-ND1 3.26Å; H685-H781 AromaticContact NE2-ND1 3.22Å; H685-H781 PolarHBondContact NE2-ND1 2.79Å
686	F	78.2	Confident	68.3	Low	6 Å²	6	68.5 Å²	68.5	3%	0.026	39%	0.386	C	S	.	.	S	Bend	trans	-95.9	-17.1	179.5	-64.7	-76.8	0	0	0	112.8	H684 Y703 V704 L707 C794 P795 V821 L822	H684-F686 HydrophobicContact CB-CE2 4.46Å; H684-F686 HydrophobicContact CB-CZ 4.34Å; F686-Y703 VanDerWaalsContact C-CE2 3.41Å; F686-Y703 VanDerWaalsContact O-CE2 3.26Å; F686-Y703 WeakPolarHBondContact O-CE2 3.14Å; F686-Y703 PolarHBondContact O-OH 3.27Å; F686-V704 WeakPolarHBondContact CD1-O 3.41Å; F686-V704 HydrophobicContact CE1-CB 4.43Å; F686-V704 WeakPolarHBondContact CE1-O 3.47Å; F686-L707 HydrophobicContact CE1-CB 4.26Å; F686-L707 HydrophobicContact CE2-CD1 3.8Å; F686-L707 HydrophobicContact CZ-CB 3.99Å; F686-L707 HydrophobicContact CZ-CD1 3.51Å; F686-L707 HydrophobicContact CZ-CG 4.34Å; F686-C794 HydrophobicContact CB-CB 4.1Å; F686-P795 HydrophobicContact CD1-CG 3.41Å; F686-P795 VanDerWaalsContact CD1-CG 3.41Å; F686-P795 HydrophobicContact CE1-CG 3.66Å; F686-P795 VanDerWaalsContact CG-CD 3.47Å; F686-P795 HydrophobicContact CG-CG 3.93Å; F686-P795 HydrophobicContact CZ-CG 4.34Å; F686-V821 WeakPolarHBondContact CB-O 3.37Å; F686-V821 HydrophobicContact CD2-CB 4.47Å; F686-V821 HydrophobicContact CD2-CG1 3.92Å; F686-V821 WeakPolarHBondContact CD2-O 3.16Å; F686-V821 HydrophobicContact CE2-CG1 3.8Å; F686-L822 PolarHBondContact N-O 2.82Å
687	C	68.7	Low	68.2	Low	9 Å²	9	69.4 Å²	69.4	6%	0.061	39%	0.386	C	S	.	.	S	Bend	trans	-132.4	133.7	-176.3	-25.5	0	0	0	0	107.8	I783 C794	C687-I783 HydrophobicContact CB-CD1 3.36Å; C687-I783 HydrophobicContact CB-CG1 3.68Å; C687-I783 WeakPolarHBondContact SG-CD1 3.4Å; C687-C794 WeakPolarHBondContact CB-SG 3.47Å; C687-C794 WeakPolarHBondContact SG-CB 3.33Å; C687-C794 CovalentContact SG-SG 2.06Å; C687-C794 PolarHBondContact SG-SG 2.81Å
688	R	62.3	Low	68.2	Low	172 Å²	172	69.5 Å²	69.5	65%	0.649	38%	0.384	S	S	*	.			trans	-81.1	142.4	-176.2	-77.8	-176.2	177.2	173.8	-2.3	110.8	Y703	R688-Y703 HydrophobicContact CG-CD2 3.88Å; R688-Y703 HydrophobicContact CG-CE2 3.75Å
689	S	57.7	Low	67.6	Low	22 Å²	22	69.9 Å²	69.9	15%	0.154	40%	0.403	C	S	.	.			trans	-75.5	135.9	165	-177.3	0	0	0	0	109.1	D691 L694 N695	S689-D691 PolarHBondContact O-N 2.93Å; S689-D691 PolarHBondContact OG-N 2.93Å; S689-L694 WeakPolarHBondContact OG-CD2 3.35Å; S689-N695 PolarHBondContact O-ND2 2.82Å
690	G	56.4	Low	67.1	Low	70 Å²	70	68.4 Å²	68.4	72%	0.722	38%	0.384	S	S	*	.	S	Bend	trans	-67.3	-7.5	172.7	0	0	0	0	0	113.7	P692	G690-P692 VanDerWaalsContact O-CD 3.3Å; G690-P692 WeakPolarHBondContact O-CD 3.34Å
691	D	62.5	Low	66.7	Low	75 Å²	75	63.2 Å²	63.2	40%	0.401	36%	0.358	S	S	.	.			trans	-91.1	109.6	179.6	-171.2	-16.6	0	0	0	111.9	S689 K693 L694 N695	S689-D691 PolarHBondContact O-N 2.93Å; S689-D691 PolarHBondContact OG-N 2.93Å; D691-K693 VanDerWaalsContact C-N 3.31Å; D691-K693 PolarHBondContact O-N 3.42Å; D691-K693 WeakPolarHBondContact OD1-CB 3.45Å; D691-K693 PolarHBondContact OD1-N 2.94Å; D691-L694 HydrophobicContact CB-CB 3.91Å; D691-L694 PolarHBondContact O-N 2.87Å; D691-N695 PolarHBondContact O-N 2.65Å; D691-N695 VanDerWaalsContact O-N 3.09Å; D691-N695 PolarHBondContact O-ND2 2.77Å; D691-N695 VanDerWaalsContact O-ND2 3.14Å
692	P	61.8	Low	66	Low	97 Å²	97	65.1 Å²	65.1	63%	0.63	37%	0.369	S	S	*	.	H	α-helix	trans	-65.5	-28.9	179.5	25.6	-32.6	0	0	0	113.6	G690 N695 A696	G690-P692 VanDerWaalsContact O-CD 3.3Å; G690-P692 WeakPolarHBondContact O-CD 3.34Å; P692-N695 PolarHBondContact O-N 2.87Å; P692-A696 PolarHBondContact O-N 2.61Å
693	K	64.6	Low	65.3	Low	164 Å²	164	65.1 Å²	65.1	71%	0.713	37%	0.367	S	S	*	.	H	α-helix	trans	-68.4	-42.9	177.7	-70.8	-179.5	178.5	177.5	0	110.7	D691 N695 A696 Q697	D691-K693 VanDerWaalsContact C-N 3.31Å; D691-K693 PolarHBondContact O-N 3.42Å; D691-K693 WeakPolarHBondContact OD1-CB 3.45Å; D691-K693 PolarHBondContact OD1-N 2.94Å; K693-N695 VanDerWaalsContact C-N 3.35Å; K693-A696 PolarHBondContact O-N 3.04Å; K693-Q697 WeakPolarHBondContact O-CG 3.48Å; K693-Q697 PolarHBondContact O-N 3.38Å
694	L	62.3	Low	64.5	Low	16 Å²	16	66.4 Å²	66.4	8%	0.084	38%	0.375	C	S	.	.	H	α-helix	trans	-62.5	-44.7	175.8	-166.6	92.4	0	0	0	110.5	S689 D691 A696 Q697 L698 G779 R780	S689-L694 WeakPolarHBondContact OG-CD2 3.35Å; D691-L694 HydrophobicContact CB-CB 3.91Å; D691-L694 PolarHBondContact O-N 2.87Å; L694-A696 VanDerWaalsContact C-N 3.27Å; L694-A696 PolarHBondContact O-N 3.27Å; L694-Q697 PolarHBondContact O-N 3.06Å; L694-Q697 VanDerWaalsContact O-N 3.14Å; L694-L698 HydrophobicContact CD2-CD1 4.13Å; L694-L698 HydrophobicContact CG-CD1 4.21Å; L694-L698 VanDerWaalsContact O-CG 3.22Å; L694-L698 WeakPolarHBondContact O-CG 3.45Å; L694-L698 PolarHBondContact O-N 2.82Å; L694-G779 WeakPolarHBondContact CD2-O 3.44Å; L694-R780 HydrophobicContact CD1-CB 4.46Å
695	N	62.2	Low	63.5	Low	67 Å²	67	71.5 Å²	71.5	36%	0.358	40%	0.396	S	S	.	.	H	α-helix	trans	-60	-36.5	177.1	-68.4	-34.6	0	0	0	112.5	S689 D691 P692 K693 L698	S689-N695 PolarHBondContact O-ND2 2.82Å; D691-N695 PolarHBondContact O-N 2.65Å; D691-N695 VanDerWaalsContact O-N 3.09Å; D691-N695 PolarHBondContact O-ND2 2.77Å; D691-N695 VanDerWaalsContact O-ND2 3.14Å; P692-N695 PolarHBondContact O-N 2.87Å; K693-N695 VanDerWaalsContact C-N 3.35Å; N695-L698 PolarHBondContact O-N 2.84Å
696	A	62.5	Low	62.8	Low	81 Å²	81	75.3 Å²	75.3	67%	0.669	42%	0.421	S	S	*	.	H	α-helix	trans	-69.5	-39	174.5	0	0	0	0	0	112.8	P692 K693 L694 L698 G699	P692-A696 PolarHBondContact O-N 2.61Å; K693-A696 PolarHBondContact O-N 3.04Å; L694-A696 VanDerWaalsContact C-N 3.27Å; L694-A696 PolarHBondContact O-N 3.27Å; A696-L698 VanDerWaalsContact C-N 3.26Å; A696-L698 PolarHBondContact O-N 3.45Å; A696-G699 PolarHBondContact O-N 3.25Å
697	Q	61.4	Low	62.7	Low	140 Å²	140	75.4 Å²	75.4	65%	0.654	42%	0.422	S	S	*	.	H	α-helix	trans	-65.5	-29.5	174.7	-73	178.7	-7.3	0	0	112.7	K693 L694 G699	K693-Q697 WeakPolarHBondContact O-CG 3.48Å; K693-Q697 PolarHBondContact O-N 3.38Å; L694-Q697 PolarHBondContact O-N 3.06Å; L694-Q697 VanDerWaalsContact O-N 3.14Å; Q697-G699 PolarHBondContact O-N 3.01Å; Q697-G699 VanDerWaalsContact O-N 3.11Å
698	L	61.8	Low	62.8	Low	23 Å²	23	79.9 Å²	79.9	12%	0.12	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	21.4	179.1	-69.2	169.3	0	0	0	113.6	L694 N695 A696 H700 V701 R780	L694-L698 HydrophobicContact CD2-CD1 4.13Å; L694-L698 HydrophobicContact CG-CD1 4.21Å; L694-L698 VanDerWaalsContact O-CG 3.22Å; L694-L698 WeakPolarHBondContact O-CG 3.45Å; L694-L698 PolarHBondContact O-N 2.82Å; N695-L698 PolarHBondContact O-N 2.84Å; A696-L698 VanDerWaalsContact C-N 3.26Å; A696-L698 PolarHBondContact O-N 3.45Å; L698-H700 PolarHBondContact O-N 2.92Å; L698-V701 HydrophobicContact CB-CB 4.09Å; L698-V701 HydrophobicContact CB-CG2 3.81Å; L698-V701 HydrophobicContact CD2-CG2 3.88Å; L698-V701 HydrophobicContact CG-CG2 4.35Å; L698-V701 WeakPolarHBondContact O-CB 3.03Å; L698-V701 VanDerWaalsContact O-CG2 3.32Å; L698-V701 WeakPolarHBondContact O-CG2 3.41Å; L698-V701 PolarHBondContact O-N 2.85Å; L698-R780 HydrophobicContact CD2-CG 4Å
699	G	54.6	Low	63.3	Low	68 Å²	68	73.9 Å²	73.9	70%	0.701	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-6.7	-171.2	0	0	0	0	0	118.8	A696 Q697	A696-G699 PolarHBondContact O-N 3.25Å; Q697-G699 PolarHBondContact O-N 3.01Å; Q697-G699 VanDerWaalsContact O-N 3.11Å
700	H	56	Low	63.5	Low	96 Å²	96	77.5 Å²	77.5	44%	0.444	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	1.7	170.8	-71.2	-79.2	0	0	0	115	N676 L698	N676-H700 VanDerWaalsContact CG-CE1 3.43Å; N676-H700 PolarHBondContact OD1-NE2 2.81Å; L698-H700 PolarHBondContact O-N 2.92Å
701	V	62.2	Low	63	Low	39 Å²	39	83.5 Å²	83.5	24%	0.236	46%	0.463	C	S	.	.			trans	-96.5	133.7	-171.7	173.4	0	0	0	0	110.9	I683 H685 L698	I683-V701 HydrophobicContact CB-CG2 4.17Å; I683-V701 HydrophobicContact CG2-CG2 4.03Å; H685-V701 HydrophobicContact CB-CG1 4.09Å; H685-V701 VanDerWaalsContact CE1-CG1 3.46Å; H685-V701 WeakPolarHBondContact CE1-CG1 3.31Å; H685-V701 WeakPolarHBondContact ND1-CG1 3.47Å; L698-V701 HydrophobicContact CB-CB 4.09Å; L698-V701 HydrophobicContact CB-CG2 3.81Å; L698-V701 HydrophobicContact CD2-CG2 3.88Å; L698-V701 HydrophobicContact CG-CG2 4.35Å; L698-V701 WeakPolarHBondContact O-CB 3.03Å; L698-V701 VanDerWaalsContact O-CG2 3.32Å; L698-V701 WeakPolarHBondContact O-CG2 3.41Å; L698-V701 PolarHBondContact O-N 2.85Å
702	T	63	Low	62	Low	71 Å²	71	87.1 Å²	87.1	44%	0.436	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.9	177.9	-53.1	0	0	0	0	110.1	I683 H684 H685 V704	I683-T702 PolarHBondContact O-N 2.99Å; H684-T702 VanDerWaalsContact CA-O 3.3Å; H684-T702 WeakPolarHBondContact CA-O 3.28Å; H685-T702 PolarHBondContact N-O 2.96Å; T702-V704 HydrophobicContact CG2-CG2 3.78Å
703	Y	64.9	Low	60.5	Low	85 Å²	85	88.3 Å²	88.3	33%	0.333	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123.9	172.6	-173.3	-96.8	0	0	0	110.4	H685 F686 R688 K705	H685-Y703 WeakPolarHBondContact O-CA 3.34Å; H685-Y703 WeakPolarHBondContact O-CD2 3.05Å; F686-Y703 VanDerWaalsContact C-CE2 3.41Å; F686-Y703 VanDerWaalsContact O-CE2 3.26Å; F686-Y703 WeakPolarHBondContact O-CE2 3.14Å; F686-Y703 PolarHBondContact O-OH 3.27Å; R688-Y703 HydrophobicContact CG-CD2 3.88Å; R688-Y703 HydrophobicContact CG-CE2 3.75Å; Y703-K705 HydrophobicContact CE1-CG 4.36Å
704	V	66.7	Low	58.9	Low	34 Å²	34	84.6 Å²	84.6	21%	0.206	48%	0.483	C	S	.	.			trans	-134.8	145.1	-177.3	-170.3	0	0	0	0	109.1	H684 H685 F686 T702 T706	H684-V704 HydrophobicContact CB-CG2 4.48Å; H684-V704 WeakPolarHBondContact ND1-CG2 3.36Å; H685-V704 PolarHBondContact O-N 2.88Å; F686-V704 WeakPolarHBondContact CD1-O 3.41Å; F686-V704 HydrophobicContact CE1-CB 4.43Å; F686-V704 WeakPolarHBondContact CE1-O 3.47Å; T702-V704 HydrophobicContact CG2-CG2 3.78Å; V704-T706 WeakPolarHBondContact CG1-O 3.41Å
705	K	62.2	Low	57.3	Low	150 Å²	150	90.3 Å²	90.3	65%	0.652	52%	0.519	S	S	*	.	S	Bend	trans	-92.2	-23.4	177.4	-69.1	-166.5	174.4	-161.2	0	113.9	Y703	Y703-K705 HydrophobicContact CE1-CG 4.36Å
706	T	66.4	Low	55.6	Low	97 Å²	97	95.7 Å²	95.7	60%	0.595	54%	0.542	S	S	*	.	S	Bend	trans	-111.6	133.5	-175.2	52.6	0	0	0	0	111.2	V704	V704-T706 WeakPolarHBondContact CG1-O 3.41Å
707	L	76.4	Confident	53.9	Low	7 Å²	7	101.5 Å²	101.5	4%	0.037	56%	0.555	C	S	.	*			trans	-89.4	125.5	176.7	-177.4	67	0	0	0	110.2	F686 L709 P795 V797 V821 L830	F686-L707 HydrophobicContact CE1-CB 4.26Å; F686-L707 HydrophobicContact CE2-CD1 3.8Å; F686-L707 HydrophobicContact CZ-CB 3.99Å; F686-L707 HydrophobicContact CZ-CD1 3.51Å; F686-L707 HydrophobicContact CZ-CG 4.34Å; L707-L709 HydrophobicContact CD2-CD1 3.43Å; L707-L709 VanDerWaalsContact CD2-CD1 3.43Å; L707-L709 HydrophobicContact CG-CD1 3.65Å; L707-P795 HydrophobicContact CB-CB 3.78Å; L707-P795 HydrophobicContact CB-CG 3.96Å; L707-P795 HydrophobicContact CD2-CB 4.36Å; L707-V797 HydrophobicContact CD2-CG1 3.62Å; L707-V821 HydrophobicContact CD1-CG1 4.3Å; L707-V821 HydrophobicContact CD2-CB 4.33Å; L707-V821 HydrophobicContact CD2-CG1 4.36Å; L707-V821 HydrophobicContact CD2-CG2 3.92Å; L707-L830 HydrophobicContact CD1-CD2 4.25Å
708	S	71.7	Confident	52.2	Low	104 Å²	104	97.4 Å²	97.4	73%	0.727	55%	0.55	S	S	*	*			trans	-106.7	95.8	175.2	-63.7	0	0	0	0	109.8
709	L	71.5	Confident	50.5	Low	46 Å²	46	105.8 Å²	105.8	24%	0.241	59%	0.586	C	S	.	*	P	Polyproline II helix	trans	-74.3	143	172.4	-80.9	91	0	0	0	110.9	L707 K711 C847 E849	L707-L709 HydrophobicContact CD2-CD1 3.43Å; L707-L709 VanDerWaalsContact CD2-CD1 3.43Å; L707-L709 HydrophobicContact CG-CD1 3.65Å; L709-K711 PolarHBondContact O-N 3.41Å; L709-C847 WeakPolarHBondContact CD2-O 3.32Å; L709-E849 HydrophobicContact CD1-CB 4.16Å
710	P	61.4	Low	49.1	Very low	98 Å²	98	108.2 Å²	108.2	64%	0.636	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-55.8	126.5	170.7	-20.1	30.2	0	0	0	110.6	Q712	P710-Q712 PolarHBondContact O-N 2.97Å
711	K	47.3	Very low	47.7	Very low	195 Å²	195	110 Å²	110	85%	0.848	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-64.8	125.7	175.8	-71.2	-179.1	179.6	177.6	0	108.9	L709 T713	L709-K711 PolarHBondContact O-N 3.41Å; K711-T713 PolarHBondContact O-N 2.93Å
712	Q	40.5	Very low	45.9	Very low	151 Å²	151	115.3 Å²	115.3	71%	0.706	63%	0.627	S	S	*	*			trans	-66.3	96.4	168.7	-70.7	179.2	13.7	0	0	108	P710 A714	P710-Q712 PolarHBondContact O-N 2.97Å; Q712-A714 PolarHBondContact O-N 3.49Å
713	T	30.1	Very low	44.2	Very low	123 Å²	123	118.5 Å²	118.5	76%	0.755	64%	0.637	S	S	*	*			trans	-68.2	101.9	170.4	45.2	0	0	0	0	108.1	K711	K711-T713 PolarHBondContact O-N 2.93Å
714	A	30.9	Very low	42.3	Very low	86 Å²	86	123.2 Å²	123.2	71%	0.711	66%	0.659	S	S	*	*			trans	-59.9	146.2	158.4	0	0	0	0	0	108.3	Q712	Q712-A714 PolarHBondContact O-N 3.49Å
715	T	28.5	Very low	40.5	Very low	135 Å²	135	127.4 Å²	127.4	83%	0.828	69%	0.687	S	S	*	*			trans	76.6	70.5	176.6	10.5	0	0	0	0	116.9
716	E	28.4	Very low	38.8	Very low	180 Å²	180	130.6 Å²	130.6	84%	0.841	70%	0.695	S	S	*	*			trans	-129.3	91.1	140.2	-75.1	-169.8	171.3	0	0	108.7	G718	E716-G718 PolarHBondContact O-N 3.46Å
717	Q	25.3	Very low	37	Very low	204 Å²	204	135.2 Å²	135.2	95%	0.953	71%	0.707	S	S	*	*			trans	-72.5	60	156	-70.8	-175.6	-1.2	0	0	108.3
718	G	26.2	Very low	35	Very low	53 Å²	53	140.6 Å²	140.6	55%	0.546	73%	0.73	S	S	.	*			trans	-100.3	116.8	171.8	0	0	0	0	0	108.2	E716 V720	E716-G718 PolarHBondContact O-N 3.46Å; G718-V720 PolarHBondContact O-N 2.82Å; G718-V720 VanDerWaalsContact O-N 3.11Å
719	K	25.3	Very low	33	Very low	199 Å²	199	139.9 Å²	139.9	87%	0.865	73%	0.725	S	S	*	*			trans	-27.6	111.7	178.1	-71.9	170	175.8	173.6	0	112.8	N721	K719-N721 VanDerWaalsContact C-N 3.28Å; K719-N721 PolarHBondContact O-N 2.92Å
720	V	26.9	Very low	31.1	Very low	120 Å²	120	143.5 Å²	143.5	73%	0.727	75%	0.749	S	S	*	*			trans	-61.8	92.4	169.6	179.1	0	0	0	0	107.8	G718 N722	G718-V720 PolarHBondContact O-N 2.82Å; G718-V720 VanDerWaalsContact O-N 3.11Å; V720-N722 VanDerWaalsContact C-N 3.3Å; V720-N722 WeakPolarHBondContact CG1-OD1 3.42Å; V720-N722 PolarHBondContact O-N 3.27Å
721	N	25.7	Very low	29.6	Very low	134 Å²	134	144.9 Å²	144.9	72%	0.717	75%	0.751	S	S	*	*			trans	-65.8	101.1	159	-88.1	-16.8	0	0	0	106.1	K719 Q723	K719-N721 VanDerWaalsContact C-N 3.28Å; K719-N721 PolarHBondContact O-N 2.92Å; N721-Q723 PolarHBondContact O-N 3.24Å
722	N	25.6	Very low	28.7	Very low	149 Å²	149	139.8 Å²	139.8	80%	0.797	74%	0.736	S	S	*	*			trans	-60.9	69	168.8	-80.6	-29.9	0	0	0	110.2	V720 K724	V720-N722 VanDerWaalsContact C-N 3.3Å; V720-N722 WeakPolarHBondContact CG1-OD1 3.42Å; V720-N722 PolarHBondContact O-N 3.27Å; N722-K724 VanDerWaalsContact C-N 3.32Å; N722-K724 PolarHBondContact O-N 2.67Å; N722-K724 VanDerWaalsContact O-N 3.15Å
723	Q	26.2	Very low	28.2	Very low	139 Å²	139	139.5 Å²	139.5	65%	0.65	74%	0.739	S	S	*	*			trans	-78.7	93.8	159.7	-70	-171.9	19.6	0	0	106.2	N721	N721-Q723 PolarHBondContact O-N 3.24Å
724	K	25.1	Very low	28.1	Very low	184 Å²	184	141 Å²	141	80%	0.8	74%	0.743	S	S	*	*			trans	-45.4	139.9	161.2	-76.5	176.5	176.6	174.6	0	108.1	N722 R726	N722-K724 VanDerWaalsContact C-N 3.32Å; N722-K724 PolarHBondContact O-N 2.67Å; N722-K724 VanDerWaalsContact O-N 3.15Å; K724-R726 PolarHBondContact O-N 3.44Å
725	P	29.2	Very low	28.2	Very low	122 Å²	122	142.2 Å²	142.2	79%	0.792	75%	0.753	S	S	*	*			trans	-53.9	116.9	179.6	23.1	-32.2	0	0	0	107.5	K727	P725-K727 VanDerWaalsContact C-N 3.31Å; P725-K727 PolarHBondContact O-N 2.94Å
726	R	26.7	Very low	28.3	Very low	217 Å²	217	139.8 Å²	139.8	82%	0.819	75%	0.747	S	S	*	*			trans	-59.5	100.3	177.9	-79.1	-179.2	174.2	142.2	-3	106.4	K724 F728	K724-R726 PolarHBondContact O-N 3.44Å; R726-F728 PolarHBondContact O-N 3.35Å
727	K	29.2	Very low	28.6	Very low	194 Å²	194	139.2 Å²	139.2	84%	0.843	75%	0.749	S	S	*	*			trans	-53.6	130	165.9	-73.2	-178.2	175.4	-177.3	0	106.2	P725 S729	P725-K727 VanDerWaalsContact C-N 3.31Å; P725-K727 PolarHBondContact O-N 2.94Å; K727-S729 PolarHBondContact O-N 3.26Å
728	F	34.4	Very low	29.2	Very low	120 Å²	120	134.9 Å²	134.9	53%	0.526	74%	0.737	S	S	.	*			trans	-47.1	104.4	170.8	-123.4	-93.4	0	0	0	107.8	R726 T730 L740	R726-F728 PolarHBondContact O-N 3.35Å; F728-T730 PolarHBondContact O-N 2.84Å; F728-T730 VanDerWaalsContact O-N 3.17Å; F728-L740 HydrophobicContact CZ-CD1 4.37Å
729	S	28.6	Very low	29.9	Very low	89 Å²	89	135.7 Å²	135.7	62%	0.622	75%	0.745	S	S	*	*			trans	-62.7	121.7	174.1	-112.9	0	0	0	0	106.3	K727 D731	K727-S729 PolarHBondContact O-N 3.26Å; S729-D731 PolarHBondContact O-N 3.46Å; S729-D731 VanDerWaalsContact O-N 3.1Å
730	T	32.4	Very low	31.3	Very low	121 Å²	121	131.6 Å²	131.6	74%	0.742	73%	0.732	S	S	*	*			trans	-67.4	2.9	169.9	34.2	0	0	0	0	113	F728 T732	F728-T730 PolarHBondContact O-N 2.84Å; F728-T730 VanDerWaalsContact O-N 3.17Å; T730-T732 VanDerWaalsContact C-N 3.3Å; T730-T732 PolarHBondContact O-N 3.09Å
731	D	28.3	Very low	32.9	Very low	128 Å²	128	130.9 Å²	130.9	68%	0.684	72%	0.724	S	S	*	*			trans	-80.3	86.1	-179.9	-56.9	-31.3	0	0	0	109.3	S729 N733	S729-D731 PolarHBondContact O-N 3.46Å; S729-D731 VanDerWaalsContact O-N 3.1Å; D731-N733 PolarHBondContact O-N 2.9Å; D731-N733 VanDerWaalsContact O-N 3.08Å
732	T	30.1	Very low	35.3	Very low	87 Å²	87	127.1 Å²	127.1	53%	0.534	71%	0.706	S	S	.	*			trans	-42.2	107.9	151.7	40.4	0	0	0	0	109.5	T730	T730-T732 VanDerWaalsContact C-N 3.3Å; T730-T732 PolarHBondContact O-N 3.09Å
733	N	28.3	Very low	38.2	Very low	145 Å²	145	120.6 Å²	120.6	78%	0.775	67%	0.671	S	S	*	*			trans	-168.3	129.2	139.1	-86.2	-24.1	0	0	0	110.1	D731	D731-N733 PolarHBondContact O-N 2.9Å; D731-N733 VanDerWaalsContact O-N 3.08Å
734	N	29	Very low	41.1	Very low	154 Å²	154	115.1 Å²	115.1	82%	0.824	65%	0.647	S	S	*	*			trans	72.3	103.8	162.3	-56.2	-18	0	0	0	117.4	A736	N734-A736 PolarHBondContact O-N 3.5Å
735	A	32	Very low	44.2	Very low	113 Å²	113	106.3 Å²	106.3	93%	0.934	61%	0.609	S	S	*	*			trans	-58.7	109.2	165.6	0	0	0	0	0	110.6
736	A	31.1	Very low	47	Very low	83 Å²	83	101.2 Å²	101.2	69%	0.686	58%	0.575	S	S	*	*			trans	-134.4	120	150.4	0	0	0	0	0	106.5	N734 V738	N734-A736 PolarHBondContact O-N 3.5Å; A736-V738 PolarHBondContact O-N 3.19Å
737	D	36	Very low	50.1	Low	168 Å²	168	90.9 Å²	90.9	90%	0.898	54%	0.536	S	S	*	.			trans	-51.8	92.3	-178.1	-168.5	28	0	0	0	111.7
738	V	36	Very low	53	Low	114 Å²	114	82 Å²	82	69%	0.691	50%	0.498	S	S	*	.			trans	-105.7	111	166.3	-177.4	0	0	0	0	105.3	A736 L740	A736-V738 PolarHBondContact O-N 3.19Å; V738-L740 WeakPolarHBondContact O-CG 3.22Å; V738-L740 PolarHBondContact O-N 3.31Å
739	G	41.9	Very low	55.6	Low	70 Å²	70	76.3 Å²	76.3	72%	0.722	47%	0.473	S	S	*	.			trans	-57.5	75.3	-173.6	0	0	0	0	0	114.4	N741	G739-N741 PolarHBondContact O-N 3.41Å
740	L	53.8	Low	58.2	Low	112 Å²	112	76.4 Å²	76.4	59%	0.586	46%	0.463	S	S	*	.			trans	-68.5	122.8	169.3	-64.5	174.4	0	0	0	106.7	F728 V738 V742	F728-L740 HydrophobicContact CZ-CD1 4.37Å; V738-L740 WeakPolarHBondContact O-CG 3.22Å; V738-L740 PolarHBondContact O-N 3.31Å; L740-V742 HydrophobicContact CB-CG2 4.13Å; L740-V742 WeakPolarHBondContact O-CG2 3.3Å; L740-V742 PolarHBondContact O-N 2.9Å
741	N	61.2	Low	60.7	Low	105 Å²	105	71.5 Å²	71.5	56%	0.561	44%	0.437	S	S	*	.			trans	-60.9	97.3	172.2	-69.6	-35.2	0	0	0	108.5	L678 G739 F743	L678-N741 HydrophobicContact CD1-CB 3.87Å; G739-N741 PolarHBondContact O-N 3.41Å; N741-F743 HydrophobicContact CB-CE2 4.15Å
742	V	77.4	Confident	63.2	Low	56 Å²	56	70.1 Å²	70.1	34%	0.339	44%	0.435	S	S	.	.			trans	-114.3	126.8	-179.8	-122.5	0	0	0	0	111.7	L740 Q762 T763	L740-V742 HydrophobicContact CB-CG2 4.13Å; L740-V742 WeakPolarHBondContact O-CG2 3.3Å; L740-V742 PolarHBondContact O-N 2.9Å; V742-Q762 HydrophobicContact CB-CG 3.86Å; V742-Q762 VanDerWaalsContact CB-NE2 3.25Å; V742-Q762 HydrophobicContact CG1-CG 3.15Å; V742-Q762 VanDerWaalsContact CG1-NE2 3.3Å; V742-T763 WeakPolarHBondContact CG1-O 3.47Å
743	F	85.1	Confident	65.3	Low	12 Å²	12	73.4 Å²	73.4	5%	0.053	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	110.3	-174.9	-59.9	-89.2	0	0	0	108.8	L678 C681 N741 T763 T765 L766 R769	L678-F743 HydrophobicContact CD1-CE1 3.92Å; L678-F743 HydrophobicContact CD1-CE2 4.47Å; L678-F743 HydrophobicContact CD1-CZ 3.88Å; C681-F743 HydrophobicContact CB-CE1 4.41Å; C681-F743 VanDerWaalsContact SG-CE1 3.54Å; N741-F743 HydrophobicContact CB-CE2 4.15Å; F743-T763 WeakPolarHBondContact CB-OG1 3.5Å; F743-T763 PolarHBondContact N-O 3.03Å; F743-T763 PolarHBondContact O-N 2.69Å; F743-T763 PolarHBondContact O-OG1 3.03Å; F743-T765 VanDerWaalsContact CD2-C 3.4Å; F743-L766 HydrophobicContact CD1-CB 4.27Å; F743-L766 HydrophobicContact CD1-CD1 3.91Å; F743-L766 HydrophobicContact CE1-CB 3.89Å; F743-L766 HydrophobicContact CE1-CD1 3.9Å; F743-L766 HydrophobicContact CE1-CG 4.45Å; F743-L766 HydrophobicContact CE2-CB 4.32Å; F743-L766 HydrophobicContact CZ-CB 3.92Å; F743-R769 HydrophobicContact CB-CB 3.97Å; F743-R769 HydrophobicContact CB-CG 4.41Å
744	S	86.8	Confident	67.4	Low	23 Å²	23	68 Å²	68	16%	0.161	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	150	-177	-56.9	0	0	0	0	112	H675 F761	H675-S744 PolarHBondContact N-O 2.8Å; S744-F761 CarbonylContact C-O 3.57Å; S744-F761 WeakPolarHBondContact CA-O 3.48Å; S744-F761 WeakPolarHBondContact CB-O 3.43Å
745	F	89.9	Confident	69.9	Low	0 Å²	0	63.2 Å²	63.2	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	155	169.6	69.7	-84.4	0	0	0	110.1	L611 V672 E673 F761 T763 R769 W772 L773 L776	L611-F745 HydrophobicContact CD1-CE1 4.26Å; L611-F745 HydrophobicContact CD1-CZ 3.8Å; V672-F745 HydrophobicContact CG1-CD2 3.82Å; V672-F745 HydrophobicContact CG1-CE2 4.46Å; E673-F745 CarbonylContact O-C 3.52Å; E673-F745 WeakPolarHBondContact O-CA 3.38Å; F745-F761 HydrophobicContact CD1-CB 4.08Å; F745-F761 HydrophobicContact CE1-CB 3.65Å; F745-F761 HydrophobicContact CE2-CB 4.12Å; F745-F761 AromaticContact CE2-CD2 3.95Å; F745-F761 HydrophobicContact CE2-CD2 3.95Å; F745-F761 HydrophobicContact CE2-CG 4.43Å; F745-F761 HydrophobicContact CZ-CB 3.68Å; F745-F761 HydrophobicContact CZ-CD2 4.06Å; F745-F761 HydrophobicContact CZ-CG 4.14Å; F745-F761 PolarHBondContact N-O 2.71Å; F745-F761 PolarHBondContact O-N 3.35Å; F745-T763 HydrophobicContact CE1-CG2 4.13Å; F745-R769 HydrophobicContact CB-CG 4.35Å; F745-R769 HydrophobicContact CD1-CG 3.89Å; F745-R769 HydrophobicContact CG-CG 4.47Å; F745-W772 HydrophobicContact CE1-CB 4.36Å; F745-W772 HydrophobicContact CZ-CB 4.06Å; F745-W772 HydrophobicContact CZ-CG 4.46Å; F745-L773 HydrophobicContact CB-CD2 3.89Å; F745-L773 HydrophobicContact CD2-CD2 3.94Å; F745-L773 HydrophobicContact CG-CD2 3.96Å; F745-L776 HydrophobicContact CE2-CD1 3.99Å
746	I	89.9	Confident	72.4	Confident	15 Å²	15	62.6 Å²	62.6	8%	0.077	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.1	-179.3	-56.8	175	0	0	0	108	V672 E673 H675 I748 Q758 Y759 V760	V672-I746 WeakPolarHBondContact CA-O 3.44Å; V672-I746 WeakPolarHBondContact CG1-O 3.29Å; E673-I746 HydrophobicContact CB-CB 4.32Å; E673-I746 PolarHBondContact N-O 3.46Å; E673-I746 PolarHBondContact O-N 3.46Å; H675-I746 VanDerWaalsContact NE2-CD1 3.29Å; H675-I746 WeakPolarHBondContact NE2-CD1 3.3Å; H675-I746 WeakPolarHBondContact NE2-CG1 3.33Å; I746-I748 HydrophobicContact CG2-CD1 4.38Å; I746-I748 HydrophobicContact CG2-CG1 3.84Å; I746-Q758 HydrophobicContact CG2-CG 3.41Å; I746-Q758 VanDerWaalsContact CG2-CG 3.41Å; I746-Y759 WeakPolarHBondContact CA-O 3.3Å; I746-V760 HydrophobicContact CG1-CG2 4.47Å
747	L	91.7	Very high	75.1	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	122.3	170.1	176	74.4	0	0	0	108.5	L648 I650 I670 V672 M749 Y759 F761 L776	L648-L747 HydrophobicContact CD2-CD1 4.2Å; L648-L747 HydrophobicContact CD2-CD2 3.56Å; I650-L747 HydrophobicContact CD1-CD2 4.15Å; I670-L747 HydrophobicContact CG2-CD1 3.38Å; V672-L747 HydrophobicContact CG2-CD1 3.92Å; L747-M749 HydrophobicContact CD2-CE 3.63Å; L747-M749 HydrophobicContact CG-CE 4.44Å; L747-Y759 PolarHBondContact N-O 3.32Å; L747-Y759 PolarHBondContact O-N 2.91Å; L747-F761 HydrophobicContact CB-CD2 4.11Å; L747-F761 HydrophobicContact CB-CE2 4.01Å; L747-F761 HydrophobicContact CD2-CE2 3.76Å; L747-L776 HydrophobicContact CD1-CD1 4.31Å; L747-L776 HydrophobicContact CD1-CD2 4.35Å
748	I	89.6	Confident	77.6	Confident	7 Å²	7	53.4 Å²	53.4	4%	0.036	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.5	178.5	-54.2	171.9	0	0	0	107.3	H671 I746 R756 V757 Q758	H671-I748 HydrophobicContact CB-CB 4.32Å; H671-I748 PolarHBondContact N-O 3.34Å; H671-I748 PolarHBondContact O-N 3.19Å; I746-I748 HydrophobicContact CG2-CD1 4.38Å; I746-I748 HydrophobicContact CG2-CG1 3.84Å; I748-R756 HydrophobicContact CG2-CG 4.27Å; I748-V757 WeakPolarHBondContact CA-O 3.46Å; I748-Q758 HydrophobicContact CG1-CG 4.28Å
749	M	88	Confident	80.2	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	125.1	172.5	-55.9	-170.5	-157.9	0	0	109.1	L648 I650 C665 Y669 I670 L747 R756 V757 Y759	L648-M749 HydrophobicContact CD2-CE 4.22Å; I650-M749 HydrophobicContact CD1-CE 3.16Å; I650-M749 HydrophobicContact CG1-CE 3.86Å; C665-M749 HydrophobicContact CB-CG 4.32Å; C665-M749 HydrophobicContact CB-SD 3.5Å; C665-M749 VanDerWaalsContact CB-SD 3.5Å; Y669-M749 WeakPolarHBondContact O-CA 3.31Å; I670-M749 HydrophobicContact CG1-CG 4.21Å; L747-M749 HydrophobicContact CD2-CE 3.63Å; L747-M749 HydrophobicContact CG-CE 4.44Å; M749-R756 WeakPolarHBondContact O-CA 3.38Å; M749-V757 PolarHBondContact N-O 2.91Å; M749-V757 PolarHBondContact O-N 3.24Å; M749-Y759 HydrophobicContact CE-CD2 3.9Å; M749-Y759 HydrophobicContact CE-CE2 3.67Å; M749-Y759 HydrophobicContact SD-CE2 4.29Å
750	E	84.8	Confident	82.5	Confident	91 Å²	91	46.3 Å²	46.3	43%	0.425	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	114.4	179.1	-177	168	-162.8	0	0	109.4	Y669 R756	Y669-E750 WeakPolarHBondContact CB-O 3.34Å; Y669-E750 PolarHBondContact O-N 3.12Å; E750-R756 HydrophobicContact CB-CB 4.39Å; E750-R756 HydrophobicContact CB-CG 4.31Å; E750-R756 HydrophobicContact CG-CB 4.23Å; E750-R756 HydrophobicContact CG-CG 4.46Å; E750-R756 WeakPolarHBondContact OE2-CD 3.32Å; E750-R756 IonicContact OE2-CZ 2.78Å; E750-R756 IonicContact OE2-NE 3.83Å; E750-R756 IonicContact OE2-NH1 2.79Å
751	G	84.1	Confident	84.3	Confident	18 Å²	18	41 Å²	41	19%	0.186	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	173.1	-177.8	0	0	0	0	0	112.1	D753 H754	G751-D753 VanDerWaalsContact C-N 3.31Å; G751-D753 PolarHBondContact O-N 2.8Å; G751-H754 PolarHBondContact N-O 3.17Å; G751-H754 PolarHBondContact O-N 3.34Å; G751-H754 VanDerWaalsContact O-N 3.17Å
752	P	80.4	Confident	85.6	Confident	99 Å²	99	37.2 Å²	37.2	64%	0.643	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-40.1	-176	22	-32.1	0	0	0	113.1	Y669	Y669-P752 VanDerWaalsContact CE1-CD 3.46Å; Y669-P752 HydrophobicContact CE1-CG 4.33Å; Y669-P752 VanDerWaalsContact CZ-CD 3.48Å
753	D	73.8	Confident	86.2	Confident	157 Å²	157	34.8 Å²	34.8	84%	0.84	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	9.2	177.9	-56.9	-42.5	0	0	0	112.7	G751	G751-D753 VanDerWaalsContact C-N 3.31Å; G751-D753 PolarHBondContact O-N 2.8Å
754	H	73	Confident	86.2	Confident	30 Å²	30	40.4 Å²	40.4	14%	0.139	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	112.8	-172.6	-161	-60.2	0	0	0	110.5	D663 G751	D663-H754 IonicContact OD1-CE1 3.5Å; D663-H754 IonicContact OD1-NE2 3.8Å; D663-H754 PolarHBondContact OD1-NE2 2.93Å; D663-H754 IonicContact OD2-CE1 3.12Å; D663-H754 PolarHBondContact OD2-CE1 3.44Å; D663-H754 VanDerWaalsContact OD2-CE1 3.23Å; D663-H754 IonicContact OD2-NE2 3.94Å; D663-H754 PolarHBondContact OD2-NE2 3.43Å; G751-H754 PolarHBondContact N-O 3.17Å; G751-H754 PolarHBondContact O-N 3.34Å; G751-H754 VanDerWaalsContact O-N 3.17Å
755	P	80.7	Confident	86.3	Confident	55 Å²	55	41.9 Å²	41.9	36%	0.357	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	151.4	179.8	27.5	-35.1	0	0	0	110.1	V757	P755-V757 HydrophobicContact CG-CG2 4.33Å; P755-V757 WeakPolarHBondContact O-CG2 3.32Å; P755-V757 PolarHBondContact O-N 3.13Å
756	R	85.5	Confident	86.3	Confident	100 Å²	100	42 Å²	42	38%	0.377	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	109.8	176.4	-173.9	174.8	176.9	169.4	-1.9	110.2	V619 I748 M749 E750	V619-R756 HydrophobicContact CB-CB 4.35Å; V619-R756 HydrophobicContact CG2-CB 4.28Å; V619-R756 HydrophobicContact CG2-CG 4.05Å; V619-R756 PolarHBondContact N-O 2.82Å; V619-R756 VanDerWaalsContact N-O 3.12Å; I748-R756 HydrophobicContact CG2-CG 4.27Å; M749-R756 WeakPolarHBondContact O-CA 3.38Å; E750-R756 HydrophobicContact CB-CB 4.39Å; E750-R756 HydrophobicContact CB-CG 4.31Å; E750-R756 HydrophobicContact CG-CB 4.23Å; E750-R756 HydrophobicContact CG-CG 4.46Å; E750-R756 WeakPolarHBondContact OE2-CD 3.32Å; E750-R756 IonicContact OE2-CZ 2.78Å; E750-R756 IonicContact OE2-NE 3.83Å; E750-R756 IonicContact OE2-NH1 2.79Å
757	V	87.2	Confident	86.3	Confident	5 Å²	5	41.6 Å²	41.6	3%	0.03	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.3	176.6	-173.6	0	0	0	0	109.3	M616 N618 I748 M749 P755 Y759	M616-V757 HydrophobicContact CG-CG1 3.68Å; M616-V757 HydrophobicContact SD-CG1 4.31Å; N618-V757 WeakPolarHBondContact OD1-CG1 3.35Å; N618-V757 WeakPolarHBondContact OD1-CG2 3.48Å; I748-V757 WeakPolarHBondContact CA-O 3.46Å; M749-V757 PolarHBondContact N-O 2.91Å; M749-V757 PolarHBondContact O-N 3.24Å; P755-V757 HydrophobicContact CG-CG2 4.33Å; P755-V757 WeakPolarHBondContact O-CG2 3.32Å; P755-V757 PolarHBondContact O-N 3.13Å; V757-Y759 HydrophobicContact CB-CE2 4Å; V757-Y759 HydrophobicContact CG1-CD2 3.93Å; V757-Y759 HydrophobicContact CG1-CE1 4.5Å; V757-Y759 HydrophobicContact CG1-CE2 3.34Å
758	Q	89.6	Confident	86.2	Confident	52 Å²	52	44.3 Å²	44.3	24%	0.243	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.9	176.9	178.9	-178.6	7.9	0	0	110.1	M616 T617 I746 I748	M616-Q758 WeakPolarHBondContact CA-O 3.36Å; T617-Q758 PolarHBondContact N-O 3.4Å; T617-Q758 PolarHBondContact O-N 3.34Å; T617-Q758 WeakPolarHBondContact OG1-CB 3.35Å; I746-Q758 HydrophobicContact CG2-CG 3.41Å; I746-Q758 VanDerWaalsContact CG2-CG 3.41Å; I748-Q758 HydrophobicContact CG1-CG 4.28Å
759	Y	90.2	Very high	86.3	Confident	5 Å²	5	44.3 Å²	44.3	2%	0.02	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	127.2	176.6	-67.7	-89.1	0	0	0	109.9	L613 M616 I650 D663 I746 L747 M749 V757 F761	L613-Y759 HydrophobicContact CD1-CD1 3.73Å; L613-Y759 HydrophobicContact CD1-CG 4.49Å; L613-Y759 HydrophobicContact CD2-CD1 4.16Å; L613-Y759 HydrophobicContact CD2-CE1 4.39Å; M616-Y759 HydrophobicContact CB-CD1 4.31Å; M616-Y759 HydrophobicContact CB-CE1 4.2Å; M616-Y759 HydrophobicContact CG-CD1 4Å; M616-Y759 HydrophobicContact CG-CE1 3.55Å; M616-Y759 HydrophobicContact SD-CE1 3.74Å; I650-Y759 HydrophobicContact CD1-CD1 4.03Å; I650-Y759 HydrophobicContact CD1-CD2 3.93Å; I650-Y759 HydrophobicContact CD1-CE1 3.94Å; I650-Y759 HydrophobicContact CD1-CE2 3.82Å; I650-Y759 HydrophobicContact CD1-CG 4.05Å; D663-Y759 WeakPolarHBondContact CB-OH 3.18Å; D663-Y759 PolarHBondContact OD2-OH 2.93Å; I746-Y759 WeakPolarHBondContact CA-O 3.3Å; L747-Y759 PolarHBondContact N-O 3.32Å; L747-Y759 PolarHBondContact O-N 2.91Å; M749-Y759 HydrophobicContact CE-CD2 3.9Å; M749-Y759 HydrophobicContact CE-CE2 3.67Å; M749-Y759 HydrophobicContact SD-CE2 4.29Å; V757-Y759 HydrophobicContact CB-CE2 4Å; V757-Y759 HydrophobicContact CG1-CD2 3.93Å; V757-Y759 HydrophobicContact CG1-CE1 4.5Å; V757-Y759 HydrophobicContact CG1-CE2 3.34Å; Y759-F761 VanDerWaalsContact CB-CE2 3.48Å; Y759-F761 HydrophobicContact CD1-CZ 4.25Å; Y759-F761 HydrophobicContact CG-CE2 4.19Å; Y759-F761 HydrophobicContact CG-CZ 4.27Å
760	V	90	Very high	86.4	Confident	30 Å²	30	44.6 Å²	44.6	18%	0.182	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	108.5	173.6	-174.7	0	0	0	0	108.9	L614 T615 I746	L614-V760 HydrophobicContact CB-CB 4.37Å; L614-V760 HydrophobicContact CB-CG1 4.33Å; L614-V760 HydrophobicContact CD1-CG1 4.13Å; L614-V760 PolarHBondContact N-O 2.86Å; T615-V760 PolarHBondContact O-N 2.78Å; I746-V760 HydrophobicContact CG1-CG2 4.47Å
761	F	91.6	Very high	86.7	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	148.9	178.1	-69.8	-68.1	0	0	0	111.9	L611 R612 L613 A639 L641 I650 S744 F745 L747 Y759	L611-F761 HydrophobicContact CB-CD1 3.67Å; L611-F761 HydrophobicContact CB-CE1 4.21Å; L611-F761 HydrophobicContact CB-CG 4.35Å; L611-F761 HydrophobicContact CD1-CB 4.36Å; L611-F761 HydrophobicContact CD1-CD1 4.09Å; L611-F761 HydrophobicContact CD1-CG 4.09Å; R612-F761 CarbonylContact O-C 3.59Å; R612-F761 WeakPolarHBondContact O-CA 3.37Å; L613-F761 HydrophobicContact CB-CD1 4.35Å; L613-F761 HydrophobicContact CB-CE1 4.06Å; L613-F761 HydrophobicContact CD1-CD1 4.34Å; L613-F761 HydrophobicContact CD1-CE1 3.98Å; L613-F761 HydrophobicContact CD1-CZ 4.33Å; A639-F761 HydrophobicContact CB-CE1 4.25Å; L641-F761 HydrophobicContact CD1-CE1 3.86Å; L641-F761 HydrophobicContact CD1-CZ 3.94Å; L641-F761 HydrophobicContact CD2-CE2 4.11Å; L641-F761 HydrophobicContact CD2-CZ 4Å; L641-F761 HydrophobicContact CG-CZ 4.47Å; I650-F761 HydrophobicContact CD1-CE2 4.47Å; I650-F761 HydrophobicContact CD1-CZ 4.05Å; S744-F761 CarbonylContact C-O 3.57Å; S744-F761 WeakPolarHBondContact CA-O 3.48Å; S744-F761 WeakPolarHBondContact CB-O 3.43Å; F745-F761 HydrophobicContact CD1-CB 4.08Å; F745-F761 HydrophobicContact CE1-CB 3.65Å; F745-F761 HydrophobicContact CE2-CB 4.12Å; F745-F761 AromaticContact CE2-CD2 3.95Å; F745-F761 HydrophobicContact CE2-CD2 3.95Å; F745-F761 HydrophobicContact CE2-CG 4.43Å; F745-F761 HydrophobicContact CZ-CB 3.68Å; F745-F761 HydrophobicContact CZ-CD2 4.06Å; F745-F761 HydrophobicContact CZ-CG 4.14Å; F745-F761 PolarHBondContact N-O 2.71Å; F745-F761 PolarHBondContact O-N 3.35Å; L747-F761 HydrophobicContact CB-CD2 4.11Å; L747-F761 HydrophobicContact CB-CE2 4.01Å; L747-F761 HydrophobicContact CD2-CE2 3.76Å; Y759-F761 VanDerWaalsContact CB-CE2 3.48Å; Y759-F761 HydrophobicContact CD1-CZ 4.25Å; Y759-F761 HydrophobicContact CG-CE2 4.19Å; Y759-F761 HydrophobicContact CG-CZ 4.27Å
762	Q	89.1	Confident	87	Confident	26 Å²	26	40 Å²	40	12%	0.121	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	140.4	179.6	-178.9	176.6	71.5	0	0	110.6	R612 L614 V742	R612-Q762 HydrophobicContact CB-CB 4.32Å; R612-Q762 PolarHBondContact N-O 2.98Å; R612-Q762 PolarHBondContact O-N 2.97Å; L614-Q762 HydrophobicContact CD1-CB 3.94Å; L614-Q762 HydrophobicContact CG-CB 4.1Å; V742-Q762 HydrophobicContact CB-CG 3.86Å; V742-Q762 VanDerWaalsContact CB-NE2 3.25Å; V742-Q762 HydrophobicContact CG1-CG 3.15Å; V742-Q762 VanDerWaalsContact CG1-NE2 3.3Å
763	T	89.1	Confident	87.4	Confident	5 Å²	5	35.2 Å²	35.2	3%	0.031	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	153.2	-177.5	62.5	0	0	0	0	112.1	L611 V742 F743 F745 T765 K768 R769	L611-T763 HydrophobicContact CD2-CG2 3.5Å; V742-T763 WeakPolarHBondContact CG1-O 3.47Å; F743-T763 WeakPolarHBondContact CB-OG1 3.5Å; F743-T763 PolarHBondContact N-O 3.03Å; F743-T763 PolarHBondContact O-N 2.69Å; F743-T763 PolarHBondContact O-OG1 3.03Å; F745-T763 HydrophobicContact CE1-CG2 4.13Å; T763-T765 PolarHBondContact OG1-O 3.2Å; T763-K768 HydrophobicContact CG2-CB 4.37Å; T763-K768 HydrophobicContact CG2-CD 4.47Å; T763-K768 HydrophobicContact CG2-CG 4.01Å; T763-R769 WeakPolarHBondContact OG1-CB 3.18Å
764	E	85.8	Confident	88.1	Confident	130 Å²	130	28.8 Å²	28.8	61%	0.607	14%	0.141	S	C	*	.	S	Bend	trans	-80.7	-23.6	-176	-62.2	170	-160.1	0	0	113.3
765	T	88.6	Confident	88.7	Confident	55 Å²	55	28.3 Å²	28.3	34%	0.337	15%	0.145	S	C	.	.	S	Bend	trans	-134.3	152.4	-176	68.2	0	0	0	0	111	F743 T763 S767 K768 R769	F743-T765 VanDerWaalsContact CD2-C 3.4Å; T763-T765 PolarHBondContact OG1-O 3.2Å; T765-S767 VanDerWaalsContact C-N 3.33Å; T765-S767 PolarHBondContact OG1-OG 3.35Å; T765-K768 PolarHBondContact O-N 3.21Å; T765-K768 VanDerWaalsContact OG1-CB 3.3Å; T765-K768 WeakPolarHBondContact OG1-CB 3.05Å; T765-K768 PolarHBondContact OG1-N 2.75Å; T765-K768 VanDerWaalsContact OG1-N 3.11Å; T765-R769 PolarHBondContact O-N 2.85Å
766	L	88.6	Confident	89.1	Confident	3 Å²	3	26.3 Å²	26.3	2%	0.016	13%	0.131	C	C	.	.	H	α-helix	trans	-58.9	-47	174.7	179	65.5	0	0	0	110.6	C681 I683 F743 K768 R769 E770 L825 S826	C681-L766 HydrophobicContact CB-CD2 4.16Å; I683-L766 HydrophobicContact CD1-CD1 4.42Å; I683-L766 HydrophobicContact CG1-CD2 4.33Å; F743-L766 HydrophobicContact CD1-CB 4.27Å; F743-L766 HydrophobicContact CD1-CD1 3.91Å; F743-L766 HydrophobicContact CE1-CB 3.89Å; F743-L766 HydrophobicContact CE1-CD1 3.9Å; F743-L766 HydrophobicContact CE1-CG 4.45Å; F743-L766 HydrophobicContact CE2-CB 4.32Å; F743-L766 HydrophobicContact CZ-CB 3.92Å; L766-K768 VanDerWaalsContact C-N 3.31Å; L766-K768 PolarHBondContact O-N 3.14Å; L766-R769 VanDerWaalsContact CD1-NH2 3.33Å; L766-R769 WeakPolarHBondContact O-CB 3.29Å; L766-R769 PolarHBondContact O-N 3.27Å; L766-R769 VanDerWaalsContact O-N 3.12Å; L766-E770 HydrophobicContact CD1-CG 3.86Å; L766-E770 HydrophobicContact CG-CG 4.07Å; L766-E770 WeakPolarHBondContact O-CG 3.29Å; L766-E770 PolarHBondContact O-N 2.77Å; L766-L825 HydrophobicContact CD2-CB 4.36Å; L766-S826 WeakPolarHBondContact CD2-OG 3.47Å
767	S	90.5	Very high	88.8	Confident	6 Å²	6	22.6 Å²	22.6	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-53	-45.7	175.7	46.4	0	0	0	0	112.7	T765 R769 E770 R771 D827	T765-S767 VanDerWaalsContact C-N 3.33Å; T765-S767 PolarHBondContact OG1-OG 3.35Å; S767-R769 VanDerWaalsContact C-N 3.35Å; S767-R769 PolarHBondContact O-N 3.4Å; S767-E770 PolarHBondContact O-N 3.23Å; S767-R771 WeakPolarHBondContact O-CB 3.49Å; S767-R771 WeakPolarHBondContact O-CD 3.35Å; S767-R771 WeakPolarHBondContact O-CG 3.17Å; S767-R771 PolarHBondContact O-N 2.82Å; S767-D827 WeakPolarHBondContact CA-OD2 3.35Å; S767-D827 WeakPolarHBondContact CB-OD2 3.42Å; S767-D827 PolarHBondContact N-OD2 3.36Å; S767-D827 PolarHBondContact OG-OD2 3.08Å
768	K	91.1	Very high	87.7	Confident	57 Å²	57	28.4 Å²	28.4	25%	0.248	16%	0.159	C	C	.	.	H	α-helix	trans	-63.4	-43.2	179.5	-168.7	167	-177.6	177.8	0	110.7	D610 T763 T765 L766 W772	D610-K768 VanDerWaalsContact O-CE 3.25Å; D610-K768 WeakPolarHBondContact O-CE 3.14Å; D610-K768 PolarHBondContact O-NZ 2.69Å; T763-K768 HydrophobicContact CG2-CB 4.37Å; T763-K768 HydrophobicContact CG2-CD 4.47Å; T763-K768 HydrophobicContact CG2-CG 4.01Å; T765-K768 PolarHBondContact O-N 3.21Å; T765-K768 VanDerWaalsContact OG1-CB 3.3Å; T765-K768 WeakPolarHBondContact OG1-CB 3.05Å; T765-K768 PolarHBondContact OG1-N 2.75Å; T765-K768 VanDerWaalsContact OG1-N 3.11Å; L766-K768 VanDerWaalsContact C-N 3.31Å; L766-K768 PolarHBondContact O-N 3.14Å; K768-W772 PolarHBondContact O-N 3.32Å
769	R	90.6	Very high	86.4	Confident	6 Å²	6	27.1 Å²	27.1	2%	0.023	16%	0.16	C	C	.	.	H	α-helix	trans	-59.4	-59.6	173.5	-170.3	-174.7	61.5	-178.9	7.6	111.4	H675 F743 F745 T763 T765 L766 S767 R771 W772 L773	H675-R769 PolarHBondContact O-NH1 2.89Å; F743-R769 HydrophobicContact CB-CB 3.97Å; F743-R769 HydrophobicContact CB-CG 4.41Å; F745-R769 HydrophobicContact CB-CG 4.35Å; F745-R769 HydrophobicContact CD1-CG 3.89Å; F745-R769 HydrophobicContact CG-CG 4.47Å; T763-R769 WeakPolarHBondContact OG1-CB 3.18Å; T765-R769 PolarHBondContact O-N 2.85Å; L766-R769 VanDerWaalsContact CD1-NH2 3.33Å; L766-R769 WeakPolarHBondContact O-CB 3.29Å; L766-R769 PolarHBondContact O-N 3.27Å; L766-R769 VanDerWaalsContact O-N 3.12Å; S767-R769 VanDerWaalsContact C-N 3.35Å; S767-R769 PolarHBondContact O-N 3.4Å; R769-R771 VanDerWaalsContact C-N 3.29Å; R769-R771 PolarHBondContact O-N 3.07Å; R769-W772 PolarHBondContact O-N 2.81Å; R769-W772 VanDerWaalsContact O-N 3.12Å; R769-L773 HydrophobicContact CG-CD1 3.7Å; R769-L773 HydrophobicContact CG-CG 4.22Å; R769-L773 VanDerWaalsContact O-CG 3.28Å; R769-L773 WeakPolarHBondContact O-CG 3.39Å; R769-L773 PolarHBondContact O-N 2.92Å
770	E	89.1	Confident	85.2	Confident	6 Å²	6	27.7 Å²	27.7	3%	0.028	16%	0.163	C	C	.	.	H	α-helix	trans	-62.4	-35.7	-172.5	-63.7	-48.8	127	0	0	112.3	I683 L766 S767 W772 L773 D774 H781 L825	I683-E770 VanDerWaalsContact CD1-CD 3.48Å; I683-E770 HydrophobicContact CD1-CG 3.92Å; L766-E770 HydrophobicContact CD1-CG 3.86Å; L766-E770 HydrophobicContact CG-CG 4.07Å; L766-E770 WeakPolarHBondContact O-CG 3.29Å; L766-E770 PolarHBondContact O-N 2.77Å; S767-E770 PolarHBondContact O-N 3.23Å; E770-W772 PolarHBondContact O-N 2.88Å; E770-L773 WeakPolarHBondContact O-CB 3.37Å; E770-L773 PolarHBondContact O-N 3.5Å; E770-D774 VanDerWaalsContact O-CB 3.29Å; E770-D774 WeakPolarHBondContact O-CB 3.5Å; E770-D774 PolarHBondContact O-N 3.47Å; E770-H781 IonicContact OE2-CE1 3.56Å; E770-H781 PolarHBondContact OE2-CE1 3.11Å; E770-H781 IonicContact OE2-NE2 2.79Å; E770-H781 PolarHBondContact OE2-NE2 3.43Å; E770-L825 HydrophobicContact CB-CD1 4.05Å; E770-L825 HydrophobicContact CB-CD2 4.32Å; E770-L825 HydrophobicContact CG-CD1 4.36Å; E770-L825 HydrophobicContact CG-CD2 4.03Å
771	R	91.5	Very high	84	Confident	10 Å²	10	26.5 Å²	26.5	4%	0.038	16%	0.155	C	C	.	.	H	α-helix	trans	-65.8	-37.1	175.9	-72.1	171.1	64.5	178.6	-6.5	113	S767 R769 G775 E807 D809 E810 W841	S767-R771 WeakPolarHBondContact O-CB 3.49Å; S767-R771 WeakPolarHBondContact O-CD 3.35Å; S767-R771 WeakPolarHBondContact O-CG 3.17Å; S767-R771 PolarHBondContact O-N 2.82Å; R769-R771 VanDerWaalsContact C-N 3.29Å; R769-R771 PolarHBondContact O-N 3.07Å; R771-G775 PolarHBondContact O-N 3.49Å; R771-E807 IonicContact CZ-OE2 2.73Å; R771-E807 IonicContact NH2-OE2 3.2Å; R771-E807 PolarHBondContact NH2-OE2 3.16Å; R771-D809 WeakPolarHBondContact CB-OD2 3Å; R771-D809 IonicContact CZ-OD1 2.82Å; R771-D809 IonicContact CZ-OD2 3.58Å; R771-D809 VanDerWaalsContact CZ-OD2 3.31Å; R771-D809 IonicContact NE-OD1 3.05Å; R771-D809 IonicContact NE-OD2 3.23Å; R771-D809 PolarHBondContact NE-OD2 3.01Å; R771-D809 IonicContact NH2-OD1 3.42Å; R771-D809 PolarHBondContact NH2-OD1 2.85Å; R771-D809 IonicContact NH2-OD2 3.35Å; R771-D809 PolarHBondContact NH2-OD2 2.93Å; R771-E810 IonicContact CZ-OE1 3.53Å; R771-E810 IonicContact NH1-OE1 3.77Å; R771-E810 PolarHBondContact NH1-OE1 2.72Å; R771-E810 IonicContact NH2-OE1 3.85Å; R771-E810 PolarHBondContact NH2-OE1 3.44Å; R771-W841 HydrophobicContact CG-CB 4.43Å; R771-W841 HydrophobicContact CG-CD2 3.68Å; R771-W841 HydrophobicContact CG-CE3 4.3Å; R771-W841 HydrophobicContact CG-CG 3.73Å; R771-W841 HydrophobicContact CG-CZ2 4.33Å
772	W	91.7	Very high	82.2	Confident	2 Å²	2	27.2 Å²	27.2	1%	0.008	16%	0.162	C	C	.	.	H	α-helix	trans	-67.7	-43.5	171.3	-86	105.7	0	0	0	111.8	K607 L611 L641 L643 F745 K768 R769 E770 D774 G775 L776	K607-W772 HydrophobicContact CB-CH2 4.37Å; K607-W772 HydrophobicContact CB-CZ3 4.34Å; K607-W772 HydrophobicContact CD-CD2 3.76Å; K607-W772 HydrophobicContact CD-CE3 4.07Å; K607-W772 HydrophobicContact CD-CG 4.08Å; K607-W772 HydrophobicContact CD-CZ2 4.26Å; K607-W772 HydrophobicContact CD-CZ3 4.45Å; K607-W772 HydrophobicContact CG-CD2 4.4Å; K607-W772 HydrophobicContact CG-CE3 4.48Å; K607-W772 HydrophobicContact CG-CH2 4.14Å; K607-W772 HydrophobicContact CG-CZ2 4.07Å; K607-W772 HydrophobicContact CG-CZ3 4.37Å; L611-W772 HydrophobicContact CD1-CD2 4.08Å; L611-W772 HydrophobicContact CD1-CG 4.25Å; L611-W772 HydrophobicContact CD1-CZ2 4.4Å; L641-W772 HydrophobicContact CB-CH2 3.37Å; L641-W772 HydrophobicContact CB-CZ2 4.01Å; L641-W772 HydrophobicContact CB-CZ3 3.83Å; L641-W772 HydrophobicContact CD2-CH2 4.46Å; L641-W772 HydrophobicContact CD2-CZ3 4.21Å; L643-W772 HydrophobicContact CB-CZ3 3.88Å; F745-W772 HydrophobicContact CE1-CB 4.36Å; F745-W772 HydrophobicContact CZ-CB 4.06Å; F745-W772 HydrophobicContact CZ-CG 4.46Å; K768-W772 PolarHBondContact O-N 3.32Å; R769-W772 PolarHBondContact O-N 2.81Å; R769-W772 VanDerWaalsContact O-N 3.12Å; E770-W772 PolarHBondContact O-N 2.88Å; W772-D774 VanDerWaalsContact C-N 3.29Å; W772-D774 PolarHBondContact O-N 2.93Å; W772-G775 PolarHBondContact O-N 2.94Å; W772-L776 HydrophobicContact CE3-CD1 4.37Å; W772-L776 WeakPolarHBondContact O-CB 3.29Å; W772-L776 WeakPolarHBondContact O-CD1 3.31Å; W772-L776 VanDerWaalsContact O-CG 3.22Å; W772-L776 WeakPolarHBondContact O-CG 3.13Å; W772-L776 PolarHBondContact O-N 3Å
773	L	88.8	Confident	80.6	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-60.9	-39.9	176.8	-65.9	174.1	0	0	0	111.8	V672 A674 F745 R769 E770 L776 S777 R780	V672-L773 HydrophobicContact CB-CD2 4.35Å; V672-L773 HydrophobicContact CG1-CD2 3.22Å; A674-L773 HydrophobicContact CB-CD1 3.74Å; F745-L773 HydrophobicContact CB-CD2 3.89Å; F745-L773 HydrophobicContact CD2-CD2 3.94Å; F745-L773 HydrophobicContact CG-CD2 3.96Å; R769-L773 HydrophobicContact CG-CD1 3.7Å; R769-L773 HydrophobicContact CG-CG 4.22Å; R769-L773 VanDerWaalsContact O-CG 3.28Å; R769-L773 WeakPolarHBondContact O-CG 3.39Å; R769-L773 PolarHBondContact O-N 2.92Å; E770-L773 WeakPolarHBondContact O-CB 3.37Å; E770-L773 PolarHBondContact O-N 3.5Å; L773-L776 PolarHBondContact O-N 2.85Å; L773-S777 VanDerWaalsContact O-CB 3.32Å; L773-S777 WeakPolarHBondContact O-CB 3.22Å; L773-S777 PolarHBondContact O-N 2.94Å; L773-R780 VanDerWaalsContact CD1-NH1 3.34Å
774	D	87	Confident	78.8	Confident	21 Å²	21	28.9 Å²	28.9	11%	0.112	18%	0.175	C	C	.	.	H	α-helix	trans	-62	-42.7	176.2	-167.2	35.3	0	0	0	112.7	E770 W772 H781 K831 W841	E770-D774 VanDerWaalsContact O-CB 3.29Å; E770-D774 WeakPolarHBondContact O-CB 3.5Å; E770-D774 PolarHBondContact O-N 3.47Å; W772-D774 VanDerWaalsContact C-N 3.29Å; W772-D774 PolarHBondContact O-N 2.93Å; D774-H781 VanDerWaalsContact OD1-CB 3.3Å; D774-H781 WeakPolarHBondContact OD1-CB 3.24Å; D774-H781 IonicContact OD1-CD2 2.94Å; D774-H781 IonicContact OD1-CG 3.21Å; D774-H781 PolarHBondContact OD1-N 2.8Å; D774-K831 IonicContact OD1-NZ 2.66Å; D774-K831 PolarHBondContact OD1-NZ 3.19Å; D774-K831 WeakPolarHBondContact OD2-CE 3.33Å; D774-K831 IonicContact OD2-NZ 2.65Å; D774-K831 PolarHBondContact OD2-NZ 3.18Å; D774-W841 HydrophobicContact CB-CZ2 4.31Å; D774-W841 PolarHBondContact OD2-NE1 2.77Å
775	G	87.3	Confident	77.3	Confident	21 Å²	21	29.1 Å²	29.1	22%	0.216	18%	0.176	C	C	.	.	H	α-helix	trans	-71.9	-39.2	176.9	0	0	0	0	0	113.2	L643 R771 W772	L643-G775 VanDerWaalsContact CD2-C 3.4Å; R771-G775 PolarHBondContact O-N 3.49Å; W772-G775 PolarHBondContact O-N 2.94Å
776	L	87.8	Confident	75.3	Confident	13 Å²	13	33.8 Å²	33.8	7%	0.068	20%	0.199	C	C	.	.	H	α-helix	trans	-80	-26.2	-175.7	-67.9	164.2	0	0	0	113.5	L643 L648 V672 F745 L747 W772 L773	L643-L776 HydrophobicContact CD1-CD2 3.95Å; L648-L776 HydrophobicContact CD1-CD2 4.1Å; L648-L776 HydrophobicContact CD2-CD2 3.79Å; L648-L776 HydrophobicContact CG-CD2 4.49Å; V672-L776 HydrophobicContact CG2-CB 3.66Å; V672-L776 HydrophobicContact CG2-CD1 4.12Å; V672-L776 HydrophobicContact CG2-CG 4.45Å; F745-L776 HydrophobicContact CE2-CD1 3.99Å; L747-L776 HydrophobicContact CD1-CD1 4.31Å; L747-L776 HydrophobicContact CD1-CD2 4.35Å; W772-L776 HydrophobicContact CE3-CD1 4.37Å; W772-L776 WeakPolarHBondContact O-CB 3.29Å; W772-L776 WeakPolarHBondContact O-CD1 3.31Å; W772-L776 VanDerWaalsContact O-CG 3.22Å; W772-L776 WeakPolarHBondContact O-CG 3.13Å; W772-L776 PolarHBondContact O-N 3Å; L773-L776 PolarHBondContact O-N 2.85Å
777	S	78.8	Confident	73.5	Confident	21 Å²	21	36.8 Å²	36.8	15%	0.147	21%	0.214	C	C	.	.	S	Bend	trans	-115	99	179.1	-60.1	0	0	0	0	109	L773 G779 R780	L773-S777 VanDerWaalsContact O-CB 3.32Å; L773-S777 WeakPolarHBondContact O-CB 3.22Å; L773-S777 PolarHBondContact O-N 2.94Å; S777-G779 PolarHBondContact O-N 2.98Å; S777-R780 WeakPolarHBondContact O-CB 3.42Å; S777-R780 PolarHBondContact O-N 2.94Å; S777-R780 PolarHBondContact OG-NE 3.31Å; S777-R780 PolarHBondContact OG-NH2 2.58Å
778	C	65	Low	71.6	Confident	127 Å²	127	39.1 Å²	39.1	86%	0.858	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.2	126.7	178.8	-168.9	0	0	0	0	110.5	R780	C778-R780 PolarHBondContact O-N 3.42Å
779	G	63.2	Low	69.5	Low	26 Å²	26	41.5 Å²	41.5	27%	0.268	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.4	-1.5	178.5	0	0	0	0	0	116.5	L694 S777 H781 G782	L694-G779 WeakPolarHBondContact CD2-O 3.44Å; S777-G779 PolarHBondContact O-N 2.98Å; G779-H781 VanDerWaalsContact C-N 3.31Å; G779-H781 PolarHBondContact O-N 2.92Å; G779-G782 WeakPolarHBondContact CA-O 3.46Å; G779-G782 PolarHBondContact O-N 3.29Å
780	R	64.4	Low	67.6	Low	17 Å²	17	44.2 Å²	44.2	6%	0.064	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-42.3	-176.5	-171.7	-176.2	-83.8	-136.4	-0.4	114	V672 H685 L694 L698 L773 S777 C778	V672-R780 PolarHBondContact O-NH2 2.83Å; H685-R780 PolarHBondContact NE2-O 2.72Å; L694-R780 HydrophobicContact CD1-CB 4.46Å; L698-R780 HydrophobicContact CD2-CG 4Å; L773-R780 VanDerWaalsContact CD1-NH1 3.34Å; S777-R780 WeakPolarHBondContact O-CB 3.42Å; S777-R780 PolarHBondContact O-N 2.94Å; S777-R780 PolarHBondContact OG-NE 3.31Å; S777-R780 PolarHBondContact OG-NH2 2.58Å; C778-R780 PolarHBondContact O-N 3.42Å
781	H	63.8	Low	66.1	Low	5 Å²	5	45.3 Å²	45.3	2%	0.023	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122	14.3	172	-53.4	-85	0	0	0	111.9	H685 E770 D774 G779 V823 K831 W841	H685-H781 AromaticContact CE1-CE1 3.86Å; H685-H781 AromaticContact CE1-ND1 3.26Å; H685-H781 PolarHBondContact CE1-ND1 3.07Å; H685-H781 VanDerWaalsContact CE1-ND1 3.26Å; H685-H781 AromaticContact NE2-ND1 3.22Å; H685-H781 PolarHBondContact NE2-ND1 2.79Å; E770-H781 IonicContact OE2-CE1 3.56Å; E770-H781 PolarHBondContact OE2-CE1 3.11Å; E770-H781 IonicContact OE2-NE2 2.79Å; E770-H781 PolarHBondContact OE2-NE2 3.43Å; D774-H781 VanDerWaalsContact OD1-CB 3.3Å; D774-H781 WeakPolarHBondContact OD1-CB 3.24Å; D774-H781 IonicContact OD1-CD2 2.94Å; D774-H781 IonicContact OD1-CG 3.21Å; D774-H781 PolarHBondContact OD1-N 2.8Å; G779-H781 VanDerWaalsContact C-N 3.31Å; G779-H781 PolarHBondContact O-N 2.92Å; H781-V823 HydrophobicContact CB-CG2 3.84Å; H781-K831 HydrophobicContact CB-CD 3.94Å; H781-K831 WeakPolarHBondContact O-CD 3.25Å; H781-K831 PolarHBondContact O-NZ 3.49Å; H781-W841 HydrophobicContact CB-CZ2 4.33Å
782	G	53.9	Low	64.5	Low	14 Å²	14	48.9 Å²	48.9	14%	0.144	30%	0.3	C	S	.	.	S	Bend	trans	-122.2	114.4	-170.4	0	0	0	0	0	111.3	G779	G779-G782 WeakPolarHBondContact CA-O 3.46Å; G779-G782 PolarHBondContact O-N 3.29Å
783	I	55.4	Low	63.3	Low	11 Å²	11	55.6 Å²	55.6	6%	0.056	33%	0.332	C	S	.	.			trans	-53.9	137.9	175.3	-56.4	160.5	0	0	0	109.7	C687 L787 I791 L822 R839	C687-I783 HydrophobicContact CB-CD1 3.36Å; C687-I783 HydrophobicContact CB-CG1 3.68Å; C687-I783 WeakPolarHBondContact SG-CD1 3.4Å; I783-L787 HydrophobicContact CG2-CB 4.2Å; I783-I791 HydrophobicContact CD1-CG1 3.88Å; I783-L822 HydrophobicContact CD1-CD1 4.17Å; I783-L822 HydrophobicContact CD1-CD2 3.71Å; I783-L822 HydrophobicContact CD1-CG 4.39Å; I783-R839 PolarHBondContact O-NH1 2.82Å
784	P	51.3	Low	62.8	Low	56 Å²	56	55.8 Å²	55.8	36%	0.364	33%	0.333	S	S	.	.			trans	-52.7	143.8	174.9	16.8	-28.1	0	0	0	111.9	N786 L787	P784-N786 PolarHBondContact O-N 3.23Å; P784-L787 HydrophobicContact CG-CD1 4.13Å; P784-L787 PolarHBondContact O-N 3.32Å
785	E	54.3	Low	62.7	Low	135 Å²	135	55.6 Å²	55.6	63%	0.631	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-24.4	-169	-66.3	-179.7	163.9	0	0	114.5
786	N	48.2	Very low	62.6	Low	153 Å²	153	57.7 Å²	57.7	82%	0.818	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	4.7	-169.3	-69.4	-27.9	0	0	0	116.5	P784	P784-N786 PolarHBondContact O-N 3.23Å
787	L	48.8	Very low	62.7	Low	65 Å²	65	57.1 Å²	57.1	34%	0.34	33%	0.334	S	S	.	.			trans	-104.8	75.6	177.2	-81.2	91	0	0	0	112.5	I783 P784 L789 D790 I791	I783-L787 HydrophobicContact CG2-CB 4.2Å; P784-L787 HydrophobicContact CG-CD1 4.13Å; P784-L787 PolarHBondContact O-N 3.32Å; L787-L789 PolarHBondContact O-N 3.31Å; L787-D790 HydrophobicContact CB-CB 4.18Å; L787-D790 HydrophobicContact CD2-CB 4.27Å; L787-D790 WeakPolarHBondContact CD2-OD1 3.29Å; L787-D790 WeakPolarHBondContact CD2-OD2 3.35Å; L787-I791 WeakPolarHBondContact O-CG1 3.48Å
788	G	52.1	Low	63.2	Low	55 Å²	55	57.7 Å²	57.7	57%	0.567	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-23.1	164.5	0	0	0	0	0	113.3
789	L	46	Very low	64.5	Low	107 Å²	107	51.7 Å²	51.7	56%	0.56	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-45.8	179.6	-81.8	156.9	0	0	0	112.8	L787 I791 C792	L787-L789 PolarHBondContact O-N 3.31Å; L789-I791 VanDerWaalsContact C-N 3.26Å; L789-I791 PolarHBondContact O-N 2.95Å; L789-C792 WeakPolarHBondContact O-CB 3.37Å; L789-C792 PolarHBondContact O-N 2.87Å
790	D	51.1	Low	65.6	Low	63 Å²	63	52.7 Å²	52.7	34%	0.337	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-66.8	-30	-177.2	-75.6	8.3	0	0	0	112.6	L787 C792 E793 C794	L787-D790 HydrophobicContact CB-CB 4.18Å; L787-D790 HydrophobicContact CD2-CB 4.27Å; L787-D790 WeakPolarHBondContact CD2-OD1 3.29Å; L787-D790 WeakPolarHBondContact CD2-OD2 3.35Å; D790-C792 PolarHBondContact O-N 2.84Å; D790-E793 PolarHBondContact O-N 3.24Å; D790-C794 PolarHBondContact O-SG 3.43Å
791	I	57.8	Low	66.8	Low	29 Å²	29	57.2 Å²	57.2	15%	0.149	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-62.9	-26.5	179	-63.6	170.7	0	0	0	111.3	I783 L787 L789 E793 C794 N820	I783-I791 HydrophobicContact CD1-CG1 3.88Å; L787-I791 WeakPolarHBondContact O-CG1 3.48Å; L789-I791 VanDerWaalsContact C-N 3.26Å; L789-I791 PolarHBondContact O-N 2.95Å; I791-E793 VanDerWaalsContact C-N 3.28Å; I791-E793 PolarHBondContact O-N 2.86Å; I791-C794 PolarHBondContact O-N 2.91Å; I791-N820 HydrophobicContact CG2-CB 3.81Å; I791-N820 WeakPolarHBondContact CG2-ND2 3.48Å
792	C	56.8	Low	68.1	Low	85 Å²	85	59.1 Å²	59.1	57%	0.574	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-68.1	-22.9	179	-82.3	0	0	0	0	113.9	L789 D790	L789-C792 WeakPolarHBondContact O-CB 3.37Å; L789-C792 PolarHBondContact O-N 2.87Å; D790-C792 PolarHBondContact O-N 2.84Å
793	E	67.4	Low	69.8	Low	143 Å²	143	60.1 Å²	60.1	67%	0.668	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-85.7	-14.3	177.1	-64.6	-160.2	169.7	0	0	113.1	D790 I791	D790-E793 PolarHBondContact O-N 3.24Å; I791-E793 VanDerWaalsContact C-N 3.28Å; I791-E793 PolarHBondContact O-N 2.86Å
794	C	78	Confident	71.4	Confident	5 Å²	5	62.1 Å²	62.1	3%	0.034	34%	0.344	C	S	.	.	S	Bend	trans	-77.8	143.6	-172.9	-50.2	0	0	0	0	110.5	F686 C687 D790 I791 V821	F686-C794 HydrophobicContact CB-CB 4.1Å; C687-C794 WeakPolarHBondContact CB-SG 3.47Å; C687-C794 WeakPolarHBondContact SG-CB 3.33Å; C687-C794 CovalentContact SG-SG 2.06Å; C687-C794 PolarHBondContact SG-SG 2.81Å; D790-C794 PolarHBondContact O-SG 3.43Å; I791-C794 PolarHBondContact O-N 2.91Å; C794-V821 WeakPolarHBondContact CB-O 3.38Å
795	P	84.5	Confident	73.1	Confident	16 Å²	16	59.9 Å²	59.9	10%	0.104	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-58.3	140.3	-174.1	-26	34.6	0	0	0	113.2	F686 L707 V821	F686-P795 HydrophobicContact CD1-CG 3.41Å; F686-P795 VanDerWaalsContact CD1-CG 3.41Å; F686-P795 HydrophobicContact CE1-CG 3.66Å; F686-P795 VanDerWaalsContact CG-CD 3.47Å; F686-P795 HydrophobicContact CG-CG 3.93Å; F686-P795 HydrophobicContact CZ-CG 4.34Å; L707-P795 HydrophobicContact CB-CB 3.78Å; L707-P795 HydrophobicContact CB-CG 3.96Å; L707-P795 HydrophobicContact CD2-CB 4.36Å; P795-V821 PolarHBondContact O-N 3.46Å
796	Q	85.6	Confident	74.6	Confident	66 Å²	66	60 Å²	60	31%	0.308	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.2	179.4	-77.7	-179.8	-9.7	0	0	112.1	N820 V850	Q796-N820 WeakPolarHBondContact CG-OD1 3.32Å; Q796-N820 PolarHBondContact NE2-OD1 2.83Å; Q796-N820 VanDerWaalsContact NE2-OD1 3.14Å; Q796-V850 HydrophobicContact CB-CB 4.5Å; Q796-V850 PolarHBondContact O-N 3.49Å
797	V	89.6	Confident	76.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	142	172.8	-61.1	0	0	0	0	110.8	L707 I799 Q818 V819 V821 F842 C847 T848	L707-V797 HydrophobicContact CD2-CG1 3.62Å; V797-I799 HydrophobicContact CG2-CD1 4.49Å; V797-Q818 WeakPolarHBondContact O-CA 3.34Å; V797-V819 HydrophobicContact CG2-CB 3.96Å; V797-V819 PolarHBondContact N-O 3.44Å; V797-V819 PolarHBondContact O-N 3.25Å; V797-V821 HydrophobicContact CB-CG2 4.32Å; V797-V821 HydrophobicContact CG1-CG2 3.65Å; V797-V821 HydrophobicContact CG2-CG2 3.74Å; V797-F842 HydrophobicContact CG2-CE2 4.24Å; V797-F842 HydrophobicContact CG2-CZ 4.02Å; V797-C847 HydrophobicContact CB-CB 3.9Å; V797-C847 HydrophobicContact CG2-CB 3.95Å; V797-T848 CarbonylContact C-O 3.47Å; V797-T848 WeakPolarHBondContact CA-O 3.35Å
798	L	89.8	Confident	78.3	Confident	33 Å²	33	53.7 Å²	53.7	17%	0.173	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	129	170.4	-177.3	73.8	0	0	0	109	T800 G816 Q818 C847 T848 V850 M855	L798-T800 PolarHBondContact O-N 3.03Å; L798-G816 WeakPolarHBondContact CD1-O 3.41Å; L798-Q818 HydrophobicContact CD1-CG 3.77Å; L798-C847 CarbonylContact O-C 3.59Å; L798-C847 VanDerWaalsContact O-CA 3.28Å; L798-C847 WeakPolarHBondContact O-CA 3.33Å; L798-T848 PolarHBondContact N-O 3.47Å; L798-T848 PolarHBondContact O-N 3.18Å; L798-V850 HydrophobicContact CB-CG2 3.7Å; L798-M855 HydrophobicContact CB-CE 4.4Å; L798-M855 HydrophobicContact CD2-CE 3.9Å; L798-M855 HydrophobicContact CD2-SD 3.74Å
799	I	91.9	Very high	80	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	118.6	177	-55.2	-50.5	0	0	0	109.3	V797 K801 L813 K814 G816 D817 V819 F842 C847	V797-I799 HydrophobicContact CG2-CD1 4.49Å; I799-K801 WeakPolarHBondContact CG2-O 3.33Å; I799-L813 HydrophobicContact CD1-CD1 3.79Å; I799-L813 HydrophobicContact CG1-CB 4.14Å; I799-L813 HydrophobicContact CG1-CD1 4.18Å; I799-L813 HydrophobicContact CG1-CD2 4.28Å; I799-L813 HydrophobicContact CG1-CG 4.44Å; I799-L813 HydrophobicContact CG2-CB 4.21Å; I799-K814 WeakPolarHBondContact CB-O 3.47Å; I799-K814 WeakPolarHBondContact CG2-O 3.34Å; I799-G816 PolarHBondContact O-N 2.77Å; I799-D817 HydrophobicContact CB-CB 4.37Å; I799-D817 HydrophobicContact CG1-CB 4.05Å; I799-D817 WeakPolarHBondContact CG1-O 3.41Å; I799-D817 PolarHBondContact N-O 3.42Å; I799-V819 HydrophobicContact CD1-CG2 4.04Å; I799-V819 HydrophobicContact CG1-CG2 4.08Å; I799-F842 HydrophobicContact CD1-CD2 4.49Å; I799-F842 HydrophobicContact CD1-CE2 4.16Å; I799-C847 HydrophobicContact CD1-CB 3.62Å
800	T	88	Confident	82.2	Confident	47 Å²	47	47.6 Å²	47.6	29%	0.288	26%	0.255	S	S	.	.	S	Bend	trans	-94.5	-15.2	-179.9	61.9	0	0	0	0	113.2	L798 I846 T848	L798-T800 PolarHBondContact O-N 3.03Å; T800-I846 PolarHBondContact N-O 2.87Å; T800-I846 PolarHBondContact OG1-O 3.08Å; T800-T848 HydrophobicContact CG2-CG2 3.59Å; T800-T848 VanDerWaalsContact CG2-OG1 3.32Å; T800-T848 WeakPolarHBondContact CG2-OG1 3.32Å
801	K	89.4	Confident	84	Confident	112 Å²	112	44.9 Å²	44.9	49%	0.487	24%	0.24	S	C	.	.	S	Bend	trans	-142.6	127.9	179.7	-64.8	174.9	-174.8	163.1	0	108.6	I799 Y803 I846	I799-K801 WeakPolarHBondContact CG2-O 3.33Å; K801-Y803 PolarHBondContact O-N 2.92Å; K801-I846 HydrophobicContact CB-CB 4.26Å; K801-I846 HydrophobicContact CB-CG2 4.32Å; K801-I846 PolarHBondContact N-O 3.02Å
802	S	89.4	Confident	85.4	Confident	45 Å²	45	44 Å²	44	32%	0.315	24%	0.235	S	C	.	.			trans	-57.4	138.6	173.2	-56.8	0	0	0	0	111	L813 E815	S802-L813 CarbonylContact C-O 3.48Å; S802-L813 WeakPolarHBondContact CA-O 3.36Å; S802-E815 PolarHBondContact OG-N 2.98Å
803	Y	91.1	Very high	87	Confident	35 Å²	35	40.1 Å²	40.1	14%	0.137	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-130.9	118.7	179.9	-179.6	-97.1	0	0	0	109.6	K801 E810 L813 P843 I846	K801-Y803 PolarHBondContact O-N 2.92Å; Y803-E810 HydrophobicContact CE1-CB 4.41Å; Y803-E810 WeakPolarHBondContact CE1-OE2 3.3Å; Y803-E810 PolarHBondContact OH-OE2 3.23Å; Y803-L813 PolarHBondContact N-O 2.77Å; Y803-L813 PolarHBondContact O-N 2.93Å; Y803-P843 HydrophobicContact CD2-CG 3.86Å; Y803-P843 HydrophobicContact CE2-CG 3.67Å; Y803-I846 HydrophobicContact CD1-CD1 4.46Å; Y803-I846 HydrophobicContact CD2-CD1 4.31Å; Y803-I846 HydrophobicContact CD2-CG2 4.49Å; Y803-I846 HydrophobicContact CG-CD1 3.81Å
804	S	87.6	Confident	87.8	Confident	53 Å²	53	36 Å²	36	37%	0.371	19%	0.189	S	C	.	.			trans	-88.8	126.6	173.4	-64.9	0	0	0	0	109.4	I806 E812	S804-I806 PolarHBondContact O-N 2.78Å; S804-E812 PolarHBondContact OG-OE1 3.22Å
805	A	87.9	Confident	88.1	Confident	9 Å²	9	41.8 Å²	41.8	7%	0.074	22%	0.215	C	C	.	.			trans	-58	130.6	176.6	0	0	0	0	0	110.6	E810 E812	A805-E810 HydrophobicContact CB-CB 3.78Å; A805-E812 HydrophobicContact CB-CB 4.09Å
806	I	86.3	Confident	87.9	Confident	138 Å²	138	43 Å²	43	71%	0.708	23%	0.23	S	C	*	.	S	Bend	trans	-98.4	-42	179.1	-56.7	173.9	0	0	0	110.1	S804 E810	S804-I806 PolarHBondContact O-N 2.78Å; I806-E810 PolarHBondContact N-OE2 2.89Å
807	E	87.6	Confident	87.9	Confident	66 Å²	66	42.1 Å²	42.1	31%	0.308	23%	0.228	S	C	.	.	S	Bend	trans	-108.5	154.3	176.2	-56.6	-175.3	174.3	0	0	110.4	K607 R771 D809 E810	K607-E807 IonicContact NZ-OE2 2.77Å; K607-E807 PolarHBondContact NZ-OE2 3.18Å; R771-E807 IonicContact CZ-OE2 2.73Å; R771-E807 IonicContact NH2-OE2 3.2Å; R771-E807 PolarHBondContact NH2-OE2 3.16Å; E807-D809 VanDerWaalsContact CB-OD1 3.3Å; E807-D809 WeakPolarHBondContact CB-OD1 3.41Å; E807-D809 PolarHBondContact O-N 2.79Å; E807-D809 VanDerWaalsContact O-N 3.13Å; E807-E810 HydrophobicContact CB-CG 4.13Å; E807-E810 WeakPolarHBondContact O-CB 3.43Å; E807-E810 PolarHBondContact O-N 3.35Å
808	C	85.5	Confident	87.7	Confident	20 Å²	20	44.6 Å²	44.6	14%	0.135	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.7	-174.2	-57	0	0	0	0	115	L605 V606 E810	L605-C808 WeakPolarHBondContact O-CB 3.43Å; V606-C808 WeakPolarHBondContact O-CB 3.44Å; C808-E810 VanDerWaalsContact C-N 3.33Å
809	D	88.7	Confident	87.6	Confident	17 Å²	17	43 Å²	43	9%	0.091	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-1	177.3	63.1	-48.7	0	0	0	113	K607 R771 E807 G840 W841	K607-D809 IonicContact NZ-OD1 3.91Å; K607-D809 PolarHBondContact NZ-OD1 2.75Å; K607-D809 IonicContact NZ-OD2 2.98Å; K607-D809 PolarHBondContact NZ-OD2 3.12Å; R771-D809 WeakPolarHBondContact CB-OD2 3Å; R771-D809 IonicContact CZ-OD1 2.82Å; R771-D809 IonicContact CZ-OD2 3.58Å; R771-D809 VanDerWaalsContact CZ-OD2 3.31Å; R771-D809 IonicContact NE-OD1 3.05Å; R771-D809 IonicContact NE-OD2 3.23Å; R771-D809 PolarHBondContact NE-OD2 3.01Å; R771-D809 IonicContact NH2-OD1 3.42Å; R771-D809 PolarHBondContact NH2-OD1 2.85Å; R771-D809 IonicContact NH2-OD2 3.35Å; R771-D809 PolarHBondContact NH2-OD2 2.93Å; E807-D809 VanDerWaalsContact CB-OD1 3.3Å; E807-D809 WeakPolarHBondContact CB-OD1 3.41Å; E807-D809 PolarHBondContact O-N 2.79Å; E807-D809 VanDerWaalsContact O-N 3.13Å; D809-G840 WeakPolarHBondContact O-CA 3.47Å; D809-W841 PolarHBondContact O-N 3.27Å
810	E	92	Very high	87.3	Confident	17 Å²	17	44 Å²	44	8%	0.079	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-85.1	146.9	177	-59.8	-175.9	177.3	0	0	112.1	R771 Y803 A805 I806 E807 C808 W829 W841	R771-E810 IonicContact CZ-OE1 3.53Å; R771-E810 IonicContact NH1-OE1 3.77Å; R771-E810 PolarHBondContact NH1-OE1 2.72Å; R771-E810 IonicContact NH2-OE1 3.85Å; R771-E810 PolarHBondContact NH2-OE1 3.44Å; Y803-E810 HydrophobicContact CE1-CB 4.41Å; Y803-E810 WeakPolarHBondContact CE1-OE2 3.3Å; Y803-E810 PolarHBondContact OH-OE2 3.23Å; A805-E810 HydrophobicContact CB-CB 3.78Å; I806-E810 PolarHBondContact N-OE2 2.89Å; E807-E810 HydrophobicContact CB-CG 4.13Å; E807-E810 WeakPolarHBondContact O-CB 3.43Å; E807-E810 PolarHBondContact O-N 3.35Å; C808-E810 VanDerWaalsContact C-N 3.33Å; E810-W829 HydrophobicContact CG-CZ3 4.33Å; E810-W829 VanDerWaalsContact OE1-CH2 3.31Å; E810-W829 WeakPolarHBondContact OE1-CH2 3.38Å; E810-W841 CarbonylContact C-O 3.39Å; E810-W841 WeakPolarHBondContact CA-O 3.49Å; E810-W841 WeakPolarHBondContact CB-O 3.5Å
811	L	88.6	Confident	87.4	Confident	5 Å²	5	41.8 Å²	41.8	3%	0.026	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-91.4	120.9	176.3	-168.5	57.6	0	0	0	109.5	L813 V819 L834 R838 W841 F842	L811-L813 HydrophobicContact CB-CG 4.4Å; L811-L813 HydrophobicContact CD2-CD2 3.83Å; L811-L813 HydrophobicContact CD2-CG 4.37Å; L811-L813 HydrophobicContact CG-CD2 3.84Å; L811-L813 HydrophobicContact CG-CG 4.05Å; L811-V819 HydrophobicContact CD2-CG1 4.3Å; L811-L834 HydrophobicContact CD1-CD1 4.06Å; L811-L834 HydrophobicContact CD2-CD1 4.4Å; L811-L834 HydrophobicContact CD2-CG 4.19Å; L811-L834 HydrophobicContact CG-CD1 4.36Å; L811-R838 HydrophobicContact CD1-CB 4Å; L811-W841 PolarHBondContact N-O 2.95Å; L811-F842 HydrophobicContact CD2-CD1 4.46Å
812	E	87.7	Confident	87.3	Confident	12 Å²	12	36.6 Å²	36.6	6%	0.056	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-76.9	127.3	171.4	-176	146.4	-149.7	0	0	110.7	R289 R290 S804 A805	R289-E812 VanDerWaalsContact CA-OE2 3.29Å; R289-E812 WeakPolarHBondContact CA-OE2 3.38Å; R289-E812 HydrophobicContact CB-CG 4.49Å; R289-E812 PolarHBondContact N-OE2 3.37Å; R289-E812 VanDerWaalsContact O-OE2 3.14Å; R290-E812 WeakPolarHBondContact CA-OE1 3.29Å; R290-E812 PolarHBondContact N-OE2 2.87Å; S804-E812 PolarHBondContact OG-OE1 3.22Å; A805-E812 HydrophobicContact CB-CB 4.09Å
813	L	90.2	Very high	87.2	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.01	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-134.2	136.5	-167.6	-67.9	169.8	0	0	0	110.7	I799 S802 Y803 L811 V819 L834 F842 I846	I799-L813 HydrophobicContact CD1-CD1 3.79Å; I799-L813 HydrophobicContact CG1-CB 4.14Å; I799-L813 HydrophobicContact CG1-CD1 4.18Å; I799-L813 HydrophobicContact CG1-CD2 4.28Å; I799-L813 HydrophobicContact CG1-CG 4.44Å; I799-L813 HydrophobicContact CG2-CB 4.21Å; S802-L813 CarbonylContact C-O 3.48Å; S802-L813 WeakPolarHBondContact CA-O 3.36Å; Y803-L813 PolarHBondContact N-O 2.77Å; Y803-L813 PolarHBondContact O-N 2.93Å; L811-L813 HydrophobicContact CB-CG 4.4Å; L811-L813 HydrophobicContact CD2-CD2 3.83Å; L811-L813 HydrophobicContact CD2-CG 4.37Å; L811-L813 HydrophobicContact CG-CD2 3.84Å; L811-L813 HydrophobicContact CG-CG 4.05Å; L813-V819 HydrophobicContact CD1-CG2 4.37Å; L813-V819 HydrophobicContact CD2-CG2 3.48Å; L813-V819 VanDerWaalsContact CD2-CG2 3.48Å; L813-L834 HydrophobicContact CD2-CD1 4.22Å; L813-L834 HydrophobicContact CD2-CD2 4.06Å; L813-L834 HydrophobicContact CD2-CG 4.27Å; L813-F842 HydrophobicContact CD1-CB 3.59Å; L813-F842 HydrophobicContact CD1-CD1 3.79Å; L813-F842 HydrophobicContact CD1-CD2 3.66Å; L813-F842 HydrophobicContact CD1-CE1 4.37Å; L813-F842 HydrophobicContact CD1-CE2 4.25Å; L813-F842 HydrophobicContact CD1-CG 3.4Å; L813-I846 HydrophobicContact CD1-CD1 4.08Å
814	K	83.9	Confident	87.2	Confident	58 Å²	58	33.4 Å²	33.4	25%	0.252	18%	0.183	S	C	.	.			trans	-103.4	151.1	175.4	-64.3	-175.8	175.9	-175.2	0	110.3	D291 I799 G816 D817	D291-K814 IonicContact OD2-NZ 3.88Å; D291-K814 PolarHBondContact OD2-NZ 2.89Å; I799-K814 WeakPolarHBondContact CB-O 3.47Å; I799-K814 WeakPolarHBondContact CG2-O 3.34Å; K814-G816 PolarHBondContact O-N 2.97Å; K814-D817 PolarHBondContact N-OD2 3.27Å; K814-D817 VanDerWaalsContact O-CB 3.23Å; K814-D817 WeakPolarHBondContact O-CB 3.21Å; K814-D817 PolarHBondContact O-N 3.37Å
815	E	84.5	Confident	87.3	Confident	125 Å²	125	31 Å²	31	58%	0.584	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	128.2	170.1	-174.5	178.8	170	0	0	110.3	S802	S802-E815 PolarHBondContact OG-N 2.98Å
816	G	81.8	Confident	87.3	Confident	41 Å²	41	32.4 Å²	32.4	42%	0.423	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	95	-12.1	-173.7	0	0	0	0	0	115	L798 I799 K814	L798-G816 WeakPolarHBondContact CD1-O 3.41Å; I799-G816 PolarHBondContact O-N 2.77Å; K814-G816 PolarHBondContact O-N 2.97Å
817	D	85.6	Confident	87.4	Confident	48 Å²	48	28.7 Å²	28.7	26%	0.257	16%	0.157	S	C	.	.			trans	-66.3	148.4	176	-71.9	-10.2	0	0	0	111	I799 K814 L834	I799-D817 HydrophobicContact CB-CB 4.37Å; I799-D817 HydrophobicContact CG1-CB 4.05Å; I799-D817 WeakPolarHBondContact CG1-O 3.41Å; I799-D817 PolarHBondContact N-O 3.42Å; K814-D817 PolarHBondContact N-OD2 3.27Å; K814-D817 VanDerWaalsContact O-CB 3.23Å; K814-D817 WeakPolarHBondContact O-CB 3.21Å; K814-D817 PolarHBondContact O-N 3.37Å; D817-L834 HydrophobicContact CB-CD2 4.27Å
818	Q	84	Confident	87.5	Confident	52 Å²	52	26.5 Å²	26.5	24%	0.243	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	128.9	179.3	-71.9	162.4	43.3	0	0	109.8	V797 L798 L834 N859	V797-Q818 WeakPolarHBondContact O-CA 3.34Å; L798-Q818 HydrophobicContact CD1-CG 3.77Å; Q818-L834 WeakPolarHBondContact O-CD2 3.25Å; Q818-N859 PolarHBondContact NE2-ND2 2.85Å; Q818-N859 PolarHBondContact NE2-OD1 2.59Å; Q818-N859 PolarHBondContact OE1-ND2 2.66Å
819	V	88.1	Confident	88	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	130.7	-172.2	-172	0	0	0	0	109.1	V797 I799 L811 L813 L834 F842	V797-V819 HydrophobicContact CG2-CB 3.96Å; V797-V819 PolarHBondContact N-O 3.44Å; V797-V819 PolarHBondContact O-N 3.25Å; I799-V819 HydrophobicContact CD1-CG2 4.04Å; I799-V819 HydrophobicContact CG1-CG2 4.08Å; L811-V819 HydrophobicContact CD2-CG1 4.3Å; L813-V819 HydrophobicContact CD1-CG2 4.37Å; L813-V819 HydrophobicContact CD2-CG2 3.48Å; L813-V819 VanDerWaalsContact CD2-CG2 3.48Å; V819-L834 HydrophobicContact CG2-CD2 3.88Å; V819-F842 HydrophobicContact CB-CZ 4.25Å; V819-F842 HydrophobicContact CG1-CE1 3.74Å; V819-F842 HydrophobicContact CG1-CZ 3.92Å
820	N	86.6	Confident	88.2	Confident	22 Å²	22	27.1 Å²	27.1	12%	0.118	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	122.3	168.7	-62.4	-40.7	0	0	0	108.1	I791 Q796 G832 A833	I791-N820 HydrophobicContact CG2-CB 3.81Å; I791-N820 WeakPolarHBondContact CG2-ND2 3.48Å; Q796-N820 WeakPolarHBondContact CG-OD1 3.32Å; Q796-N820 PolarHBondContact NE2-OD1 2.83Å; Q796-N820 VanDerWaalsContact NE2-OD1 3.14Å; N820-G832 CarbonylContact O-C 3.26Å; N820-G832 WeakPolarHBondContact O-CA 3.41Å; N820-A833 PolarHBondContact N-O 3.25Å; N820-A833 PolarHBondContact O-N 3.38Å
821	V	89.3	Confident	88.2	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	119.7	-177.2	-178.6	0	0	0	0	109.6	F686 L707 C794 P795 V797 L830	F686-V821 WeakPolarHBondContact CB-O 3.37Å; F686-V821 HydrophobicContact CD2-CB 4.47Å; F686-V821 HydrophobicContact CD2-CG1 3.92Å; F686-V821 WeakPolarHBondContact CD2-O 3.16Å; F686-V821 HydrophobicContact CE2-CG1 3.8Å; L707-V821 HydrophobicContact CD1-CG1 4.3Å; L707-V821 HydrophobicContact CD2-CB 4.33Å; L707-V821 HydrophobicContact CD2-CG1 4.36Å; L707-V821 HydrophobicContact CD2-CG2 3.92Å; C794-V821 WeakPolarHBondContact CB-O 3.38Å; P795-V821 PolarHBondContact O-N 3.46Å; V797-V821 HydrophobicContact CB-CG2 4.32Å; V797-V821 HydrophobicContact CG1-CG2 3.65Å; V797-V821 HydrophobicContact CG2-CG2 3.74Å; V821-L830 HydrophobicContact CG1-CB 4.37Å; V821-L830 HydrophobicContact CG1-CD2 4.2Å; V821-L830 HydrophobicContact CG2-CD1 4.31Å
822	L	86.7	Confident	88.3	Confident	4 Å²	4	26.8 Å²	26.8	2%	0.021	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-42.8	-179	-45.9	-172.2	0	0	0	111.2	F686 I783 K831 A833	F686-L822 PolarHBondContact N-O 2.82Å; I783-L822 HydrophobicContact CD1-CD1 4.17Å; I783-L822 HydrophobicContact CD1-CD2 3.71Å; I783-L822 HydrophobicContact CD1-CG 4.39Å; L822-K831 PolarHBondContact N-O 2.91Å; L822-A833 HydrophobicContact CD1-CB 4.23Å; L822-A833 HydrophobicContact CD2-CB 4.15Å; L822-A833 HydrophobicContact CG-CB 4.41Å
823	V	88.7	Confident	88.2	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.006	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	143.1	-178.6	179.6	0	0	0	0	110.7	I683 H684 H781 L825 L830 K831 W841	I683-V823 HydrophobicContact CG2-CG1 4.04Å; H684-V823 CarbonylContact O-C 3.57Å; H684-V823 WeakPolarHBondContact O-CA 3.46Å; H781-V823 HydrophobicContact CB-CG2 3.84Å; V823-L825 HydrophobicContact CG1-CD2 4.15Å; V823-L830 CarbonylContact O-C 3.56Å; V823-L830 VanDerWaalsContact O-CA 3.32Å; V823-L830 WeakPolarHBondContact O-CA 3.21Å; V823-K831 HydrophobicContact CB-CB 4.05Å; V823-K831 PolarHBondContact N-O 3.15Å; V823-K831 PolarHBondContact O-N 2.91Å; V823-W841 HydrophobicContact CB-CH2 4.36Å; V823-W841 HydrophobicContact CG1-CH2 4.08Å; V823-W841 HydrophobicContact CG1-CZ3 4.49Å
824	S	90.3	Very high	87.9	Confident	12 Å²	12	26.9 Å²	26.9	8%	0.084	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	130	172.2	177	0	0	0	0	111	H684 L830	H684-S824 PolarHBondContact N-O 2.9Å; H684-S824 PolarHBondContact O-N 3.45Å; S824-L830 VanDerWaalsContact CB-CD2 3.48Å; S824-L830 WeakPolarHBondContact OG-CD2 3.33Å
825	L	89.9	Confident	87.3	Confident	2 Å²	2	28 Å²	28	1%	0.01	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	147	177.2	-56.6	-177.9	0	0	0	110.8	I683 L766 E770 V823 D827 G828 W829 W841	I683-L825 HydrophobicContact CB-CD2 4.32Å; I683-L825 HydrophobicContact CG1-CD2 3.99Å; I683-L825 HydrophobicContact CG2-CD2 3.88Å; L766-L825 HydrophobicContact CD2-CB 4.36Å; E770-L825 HydrophobicContact CB-CD1 4.05Å; E770-L825 HydrophobicContact CB-CD2 4.32Å; E770-L825 HydrophobicContact CG-CD1 4.36Å; E770-L825 HydrophobicContact CG-CD2 4.03Å; V823-L825 HydrophobicContact CG1-CD2 4.15Å; L825-D827 WeakPolarHBondContact CB-OD1 3.23Å; L825-D827 PolarHBondContact O-N 2.93Å; L825-G828 PolarHBondContact O-N 3.42Å; L825-W829 HydrophobicContact CB-CB 4.36Å; L825-W829 WeakPolarHBondContact CB-O 3.38Å; L825-W829 HydrophobicContact CD1-CB 4.07Å; L825-W829 PolarHBondContact N-O 3.41Å; L825-W841 HydrophobicContact CD1-CE3 4.28Å; L825-W841 HydrophobicContact CD1-CH2 3.85Å; L825-W841 HydrophobicContact CD1-CZ3 3.48Å; L825-W841 VanDerWaalsContact CD1-CZ3 3.48Å; L825-W841 HydrophobicContact CD2-CH2 4.32Å; L825-W841 HydrophobicContact CD2-CZ3 4.39Å; L825-W841 HydrophobicContact CG-CH2 4.12Å; L825-W841 HydrophobicContact CG-CZ3 3.72Å
826	S	87.1	Confident	86.6	Confident	39 Å²	39	26.1 Å²	26.1	27%	0.273	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-20.2	-179.1	62.1	0	0	0	0	115	F682 L766 G828	F682-S826 VanDerWaalsContact CD1-CB 3.45Å; F682-S826 VanDerWaalsContact CZ-CA 3.48Å; F682-S826 PolarHBondContact N-OG 3.3Å; F682-S826 PolarHBondContact O-N 3.33Å; F682-S826 VanDerWaalsContact O-N 3.09Å; L766-S826 WeakPolarHBondContact CD2-OG 3.47Å; S826-G828 PolarHBondContact O-N 2.96Å
827	D	88.4	Confident	86.1	Confident	60 Å²	60	26.2 Å²	26.2	32%	0.321	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	12.5	175.1	69	-11.2	0	0	0	113.2	S767 L825	S767-D827 WeakPolarHBondContact CA-OD2 3.35Å; S767-D827 WeakPolarHBondContact CB-OD2 3.42Å; S767-D827 PolarHBondContact N-OD2 3.36Å; S767-D827 PolarHBondContact OG-OD2 3.08Å; L825-D827 WeakPolarHBondContact CB-OD1 3.23Å; L825-D827 PolarHBondContact O-N 2.93Å
828	G	91	Very high	85.9	Confident	19 Å²	19	25.3 Å²	25.3	20%	0.196	15%	0.151	C	C	.	.	S	Bend	trans	86.3	15.8	170.8	0	0	0	0	0	114.3	L825 S826 S844	L825-G828 PolarHBondContact O-N 3.42Å; S826-G828 PolarHBondContact O-N 2.96Å; G828-S844 WeakPolarHBondContact CA-OG 3.5Å; G828-S844 VanDerWaalsContact O-CB 3.25Å; G828-S844 WeakPolarHBondContact O-CB 3.35Å; G828-S844 PolarHBondContact O-N 3.32Å; G828-S844 PolarHBondContact O-OG 2.97Å
829	W	94.1	Very high	86	Confident	49 Å²	49	26.1 Å²	26.1	19%	0.186	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	141.4	170.5	-77.6	84.7	0	0	0	111.9	E810 L825 W841	E810-W829 HydrophobicContact CG-CZ3 4.33Å; E810-W829 VanDerWaalsContact OE1-CH2 3.31Å; E810-W829 WeakPolarHBondContact OE1-CH2 3.38Å; L825-W829 HydrophobicContact CB-CB 4.36Å; L825-W829 WeakPolarHBondContact CB-O 3.38Å; L825-W829 HydrophobicContact CD1-CB 4.07Å; L825-W829 PolarHBondContact N-O 3.41Å; W829-W841 HydrophobicContact CB-CE3 4.39Å; W829-W841 HydrophobicContact CE3-CB 4.08Å; W829-W841 HydrophobicContact CZ3-CB 4.29Å
830	L	93.7	Very high	86.2	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.01	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	143.2	176.5	-56.5	-179.9	0	0	0	109.2	L707 V821 V823 S824 W841 F842	L707-L830 HydrophobicContact CD1-CD2 4.25Å; V821-L830 HydrophobicContact CG1-CB 4.37Å; V821-L830 HydrophobicContact CG1-CD2 4.2Å; V821-L830 HydrophobicContact CG2-CD1 4.31Å; V823-L830 CarbonylContact O-C 3.56Å; V823-L830 VanDerWaalsContact O-CA 3.32Å; V823-L830 WeakPolarHBondContact O-CA 3.21Å; S824-L830 VanDerWaalsContact CB-CD2 3.48Å; S824-L830 WeakPolarHBondContact OG-CD2 3.33Å; L830-W841 CarbonylContact O-C 3.55Å; L830-W841 VanDerWaalsContact O-CA 3.31Å; L830-W841 WeakPolarHBondContact O-CA 3.34Å; L830-F842 HydrophobicContact CB-CD2 4.48Å; L830-F842 HydrophobicContact CB-CE1 4.07Å; L830-F842 HydrophobicContact CB-CE2 4.05Å; L830-F842 HydrophobicContact CB-CZ 3.83Å; L830-F842 HydrophobicContact CD1-CE2 3.89Å; L830-F842 HydrophobicContact CD1-CZ 4.09Å; L830-F842 PolarHBondContact N-O 2.93Å; L830-F842 PolarHBondContact O-N 3.14Å; L830-F842 VanDerWaalsContact O-O 3.12Å
831	K	91.8	Very high	86.5	Confident	15 Å²	15	25.3 Å²	25.3	7%	0.065	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	129.4	163.2	-167	179.5	-179.5	-178.6	0	107.9	D774 H781 L822 V823 G840 W841	D774-K831 IonicContact OD1-NZ 2.66Å; D774-K831 PolarHBondContact OD1-NZ 3.19Å; D774-K831 WeakPolarHBondContact OD2-CE 3.33Å; D774-K831 IonicContact OD2-NZ 2.65Å; D774-K831 PolarHBondContact OD2-NZ 3.18Å; H781-K831 HydrophobicContact CB-CD 3.94Å; H781-K831 WeakPolarHBondContact O-CD 3.25Å; H781-K831 PolarHBondContact O-NZ 3.49Å; L822-K831 PolarHBondContact N-O 2.91Å; V823-K831 HydrophobicContact CB-CB 4.05Å; V823-K831 PolarHBondContact N-O 3.15Å; V823-K831 PolarHBondContact O-N 2.91Å; K831-G840 WeakPolarHBondContact CA-O 3.4Å; K831-W841 HydrophobicContact CB-CD2 3.82Å; K831-W841 HydrophobicContact CB-CE3 3.73Å; K831-W841 HydrophobicContact CB-CH2 3.88Å; K831-W841 HydrophobicContact CB-CZ2 3.97Å; K831-W841 HydrophobicContact CB-CZ3 3.74Å; K831-W841 HydrophobicContact CD-CD2 4.49Å; K831-W841 HydrophobicContact CD-CH2 4.45Å; K831-W841 HydrophobicContact CD-CZ2 3.81Å; K831-W841 HydrophobicContact CG-CD2 4.12Å; K831-W841 HydrophobicContact CG-CZ2 4.25Å
832	G	90.3	Very high	86.8	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	170.4	179.4	0	0	0	0	0	114	N820 R839 G840	N820-G832 CarbonylContact O-C 3.26Å; N820-G832 WeakPolarHBondContact O-CA 3.41Å; G832-R839 VanDerWaalsContact O-CA 3.25Å; G832-R839 WeakPolarHBondContact O-CA 3.42Å; G832-G840 PolarHBondContact N-O 3.18Å; G832-G840 PolarHBondContact O-N 2.9Å; G832-G840 VanDerWaalsContact O-N 3.13Å
833	A	87.1	Confident	87.2	Confident	3 Å²	3	25.6 Å²	25.6	3%	0.025	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.4	176.3	0	0	0	0	0	110.7	N820 L822 R838 R839	N820-A833 PolarHBondContact N-O 3.25Å; N820-A833 PolarHBondContact O-N 3.38Å; L822-A833 HydrophobicContact CD1-CB 4.23Å; L822-A833 HydrophobicContact CD2-CB 4.15Å; L822-A833 HydrophobicContact CG-CB 4.41Å; A833-R838 CarbonylContact C-O 3.53Å; A833-R838 VanDerWaalsContact CA-O 3.32Å; A833-R838 WeakPolarHBondContact CA-O 3.41Å; A833-R839 HydrophobicContact CB-CG 4.09Å
834	L	83	Confident	87.4	Confident	12 Å²	12	26.1 Å²	26.1	6%	0.063	15%	0.153	C	C	.	.			trans	-83.1	158.9	170.6	-77.7	169.7	0	0	0	110.6	L811 L813 D817 Q818 V819 D836 G837 R838	L811-L834 HydrophobicContact CD1-CD1 4.06Å; L811-L834 HydrophobicContact CD2-CD1 4.4Å; L811-L834 HydrophobicContact CD2-CG 4.19Å; L811-L834 HydrophobicContact CG-CD1 4.36Å; L813-L834 HydrophobicContact CD2-CD1 4.22Å; L813-L834 HydrophobicContact CD2-CD2 4.06Å; L813-L834 HydrophobicContact CD2-CG 4.27Å; D817-L834 HydrophobicContact CB-CD2 4.27Å; Q818-L834 WeakPolarHBondContact O-CD2 3.25Å; V819-L834 HydrophobicContact CG2-CD2 3.88Å; L834-D836 WeakPolarHBondContact CB-OD1 3.23Å; L834-D836 PolarHBondContact O-N 3.33Å; L834-D836 VanDerWaalsContact O-N 3.13Å; L834-G837 PolarHBondContact O-N 3.2Å; L834-R838 HydrophobicContact CD1-CB 4.44Å; L834-R838 PolarHBondContact N-O 3.39Å
835	P	72.2	Confident	87.4	Confident	82 Å²	82	31 Å²	31	53%	0.532	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-20.1	176.7	-24	34	0	0	0	114.7	G837	P835-G837 PolarHBondContact O-N 3.07Å
836	D	68.4	Low	87.5	Confident	85 Å²	85	31.2 Å²	31.2	46%	0.455	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-4.9	175.7	61.4	14.5	0	0	0	113.3	L834 R838	L834-D836 WeakPolarHBondContact CB-OD1 3.23Å; L834-D836 PolarHBondContact O-N 3.33Å; L834-D836 VanDerWaalsContact O-N 3.13Å; D836-R838 VanDerWaalsContact OD1-CB 3.31Å; D836-R838 WeakPolarHBondContact OD1-CB 3.4Å; D836-R838 WeakPolarHBondContact OD1-CG 3.37Å; D836-R838 PolarHBondContact OD1-N 2.76Å; D836-R838 IonicContact OD1-NE 2.79Å; D836-R838 IonicContact OD2-CZ 3.05Å; D836-R838 IonicContact OD2-NE 3.78Å; D836-R838 PolarHBondContact OD2-NE 2.85Å; D836-R838 IonicContact OD2-NH2 2.62Å; D836-R838 PolarHBondContact OD2-NH2 3.06Å
837	G	72	Confident	87.7	Confident	43 Å²	43	29.5 Å²	29.5	44%	0.443	16%	0.164	S	C	.	.	S	Bend	trans	93.7	-6.5	-180	0	0	0	0	0	114.7	L834 P835 R839	L834-G837 PolarHBondContact O-N 3.2Å; P835-G837 PolarHBondContact O-N 3.07Å; G837-R839 WeakPolarHBondContact O-CG 3.3Å
838	R	81.1	Confident	87.8	Confident	30 Å²	30	29.6 Å²	29.6	11%	0.113	17%	0.167	C	C	.	.			trans	-67.6	141.9	176.2	-68.1	-174.1	-68.3	156.4	1.6	110.7	S287 L811 A833 L834 D836	S287-R838 WeakPolarHBondContact O-CD 3.23Å; S287-R838 PolarHBondContact O-NH1 3.44Å; L811-R838 HydrophobicContact CD1-CB 4Å; A833-R838 CarbonylContact C-O 3.53Å; A833-R838 VanDerWaalsContact CA-O 3.32Å; A833-R838 WeakPolarHBondContact CA-O 3.41Å; L834-R838 HydrophobicContact CD1-CB 4.44Å; L834-R838 PolarHBondContact N-O 3.39Å; D836-R838 VanDerWaalsContact OD1-CB 3.31Å; D836-R838 WeakPolarHBondContact OD1-CB 3.4Å; D836-R838 WeakPolarHBondContact OD1-CG 3.37Å; D836-R838 PolarHBondContact OD1-N 2.76Å; D836-R838 IonicContact OD1-NE 2.79Å; D836-R838 IonicContact OD2-CZ 3.05Å; D836-R838 IonicContact OD2-NE 3.78Å; D836-R838 PolarHBondContact OD2-NE 2.85Å; D836-R838 IonicContact OD2-NH2 2.62Å; D836-R838 PolarHBondContact OD2-NH2 3.06Å
839	R	86.6	Confident	87.6	Confident	69 Å²	69	31.7 Å²	31.7	26%	0.26	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	147.5	-176.3	-45.6	178.5	-167.5	-165.4	-0.3	109.5	I783 G832 A833 G837	I783-R839 PolarHBondContact O-NH1 2.82Å; G832-R839 VanDerWaalsContact O-CA 3.25Å; G832-R839 WeakPolarHBondContact O-CA 3.42Å; A833-R839 HydrophobicContact CB-CG 4.09Å; G837-R839 WeakPolarHBondContact O-CG 3.3Å
840	G	90.7	Very high	87	Confident	3 Å²	3	29.5 Å²	29.5	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.3	-180	175.3	0	0	0	0	0	112.5	D809 K831 G832	D809-G840 WeakPolarHBondContact O-CA 3.47Å; K831-G840 WeakPolarHBondContact CA-O 3.4Å; G832-G840 PolarHBondContact N-O 3.18Å; G832-G840 PolarHBondContact O-N 2.9Å; G832-G840 VanDerWaalsContact O-N 3.13Å
841	W	93.8	Very high	86.2	Confident	2 Å²	2	37 Å²	37	1%	0.008	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	140.9	-177.5	-66.5	91.6	0	0	0	111.6	R771 D774 H781 D809 E810 L811 V823 L825 W829 L830 K831	R771-W841 HydrophobicContact CG-CB 4.43Å; R771-W841 HydrophobicContact CG-CD2 3.68Å; R771-W841 HydrophobicContact CG-CE3 4.3Å; R771-W841 HydrophobicContact CG-CG 3.73Å; R771-W841 HydrophobicContact CG-CZ2 4.33Å; D774-W841 HydrophobicContact CB-CZ2 4.31Å; D774-W841 PolarHBondContact OD2-NE1 2.77Å; H781-W841 HydrophobicContact CB-CZ2 4.33Å; D809-W841 PolarHBondContact O-N 3.27Å; E810-W841 CarbonylContact C-O 3.39Å; E810-W841 WeakPolarHBondContact CA-O 3.49Å; E810-W841 WeakPolarHBondContact CB-O 3.5Å; L811-W841 PolarHBondContact N-O 2.95Å; V823-W841 HydrophobicContact CB-CH2 4.36Å; V823-W841 HydrophobicContact CG1-CH2 4.08Å; V823-W841 HydrophobicContact CG1-CZ3 4.49Å; L825-W841 HydrophobicContact CD1-CE3 4.28Å; L825-W841 HydrophobicContact CD1-CH2 3.85Å; L825-W841 HydrophobicContact CD1-CZ3 3.48Å; L825-W841 VanDerWaalsContact CD1-CZ3 3.48Å; L825-W841 HydrophobicContact CD2-CH2 4.32Å; L825-W841 HydrophobicContact CD2-CZ3 4.39Å; L825-W841 HydrophobicContact CG-CH2 4.12Å; L825-W841 HydrophobicContact CG-CZ3 3.72Å; W829-W841 HydrophobicContact CB-CE3 4.39Å; W829-W841 HydrophobicContact CE3-CB 4.08Å; W829-W841 HydrophobicContact CZ3-CB 4.29Å; L830-W841 CarbonylContact O-C 3.55Å; L830-W841 VanDerWaalsContact O-CA 3.31Å; L830-W841 WeakPolarHBondContact O-CA 3.34Å; K831-W841 HydrophobicContact CB-CD2 3.82Å; K831-W841 HydrophobicContact CB-CE3 3.73Å; K831-W841 HydrophobicContact CB-CH2 3.88Å; K831-W841 HydrophobicContact CB-CZ2 3.97Å; K831-W841 HydrophobicContact CB-CZ3 3.74Å; K831-W841 HydrophobicContact CD-CD2 4.49Å; K831-W841 HydrophobicContact CD-CH2 4.45Å; K831-W841 HydrophobicContact CD-CZ2 3.81Å; K831-W841 HydrophobicContact CG-CD2 4.12Å; K831-W841 HydrophobicContact CG-CZ2 4.25Å
842	F	94.9	Very high	85.4	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	154.8	174.8	64.2	-83.2	0	0	0	110.5	V797 I799 L811 L813 V819 L830 I846 C847	V797-F842 HydrophobicContact CG2-CE2 4.24Å; V797-F842 HydrophobicContact CG2-CZ 4.02Å; I799-F842 HydrophobicContact CD1-CD2 4.49Å; I799-F842 HydrophobicContact CD1-CE2 4.16Å; L811-F842 HydrophobicContact CD2-CD1 4.46Å; L813-F842 HydrophobicContact CD1-CB 3.59Å; L813-F842 HydrophobicContact CD1-CD1 3.79Å; L813-F842 HydrophobicContact CD1-CD2 3.66Å; L813-F842 HydrophobicContact CD1-CE1 4.37Å; L813-F842 HydrophobicContact CD1-CE2 4.25Å; L813-F842 HydrophobicContact CD1-CG 3.4Å; V819-F842 HydrophobicContact CB-CZ 4.25Å; V819-F842 HydrophobicContact CG1-CE1 3.74Å; V819-F842 HydrophobicContact CG1-CZ 3.92Å; L830-F842 HydrophobicContact CB-CD2 4.48Å; L830-F842 HydrophobicContact CB-CE1 4.07Å; L830-F842 HydrophobicContact CB-CE2 4.05Å; L830-F842 HydrophobicContact CB-CZ 3.83Å; L830-F842 HydrophobicContact CD1-CE2 3.89Å; L830-F842 HydrophobicContact CD1-CZ 4.09Å; L830-F842 PolarHBondContact N-O 2.93Å; L830-F842 PolarHBondContact O-N 3.14Å; L830-F842 VanDerWaalsContact O-O 3.12Å; F842-I846 HydrophobicContact CB-CD1 4.29Å; F842-I846 HydrophobicContact CD2-CD1 4.01Å; F842-I846 HydrophobicContact CD2-CG1 4.26Å; F842-C847 HydrophobicContact CE2-CB 4.35Å
843	P	95.4	Very high	84.7	Confident	10 Å²	10	44.3 Å²	44.3	7%	0.065	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	146.4	179.2	27.1	-33.5	0	0	0	112	Y803 H845 I846	Y803-P843 HydrophobicContact CD2-CG 3.86Å; Y803-P843 HydrophobicContact CE2-CG 3.67Å; P843-H845 VanDerWaalsContact C-N 3.35Å; P843-H845 VanDerWaalsContact CB-CE1 3.48Å; P843-H845 WeakPolarHBondContact CB-CE1 3.21Å; P843-H845 PolarHBondContact O-N 2.96Å; P843-I846 HydrophobicContact CG-CD1 4.24Å; P843-I846 HydrophobicContact CG-CG1 4.24Å; P843-I846 HydrophobicContact CG-CG2 4.13Å; P843-I846 WeakPolarHBondContact O-CG1 3.43Å
844	S	92.9	Very high	84.2	Confident	11 Å²	11	47.5 Å²	47.5	8%	0.077	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-69	-28.5	179.4	54.9	0	0	0	0	113.6	G828 I846 C847	G828-S844 WeakPolarHBondContact CA-OG 3.5Å; G828-S844 VanDerWaalsContact O-CB 3.25Å; G828-S844 WeakPolarHBondContact O-CB 3.35Å; G828-S844 PolarHBondContact O-N 3.32Å; G828-S844 PolarHBondContact O-OG 2.97Å; S844-I846 PolarHBondContact O-N 3.39Å; S844-C847 PolarHBondContact O-N 2.81Å; S844-C847 VanDerWaalsContact O-N 3.16Å; S844-C847 PolarHBondContact O-SG 3.26Å
845	H	91.5	Very high	83.7	Confident	115 Å²	115	49.8 Å²	49.8	53%	0.532	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-71.8	-9.7	-173.1	71.4	-98.3	0	0	0	114.9	P843	P843-H845 VanDerWaalsContact C-N 3.35Å; P843-H845 VanDerWaalsContact CB-CE1 3.48Å; P843-H845 WeakPolarHBondContact CB-CE1 3.21Å; P843-H845 PolarHBondContact O-N 2.96Å
846	I	91.6	Very high	83.7	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.031	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-89.3	-7.4	175.5	61.8	167.3	0	0	0	112.4	T800 K801 Y803 L813 F842 P843 S844	T800-I846 PolarHBondContact N-O 2.87Å; T800-I846 PolarHBondContact OG1-O 3.08Å; K801-I846 HydrophobicContact CB-CB 4.26Å; K801-I846 HydrophobicContact CB-CG2 4.32Å; K801-I846 PolarHBondContact N-O 3.02Å; Y803-I846 HydrophobicContact CD1-CD1 4.46Å; Y803-I846 HydrophobicContact CD2-CD1 4.31Å; Y803-I846 HydrophobicContact CD2-CG2 4.49Å; Y803-I846 HydrophobicContact CG-CD1 3.81Å; L813-I846 HydrophobicContact CD1-CD1 4.08Å; F842-I846 HydrophobicContact CB-CD1 4.29Å; F842-I846 HydrophobicContact CD2-CD1 4.01Å; F842-I846 HydrophobicContact CD2-CG1 4.26Å; P843-I846 HydrophobicContact CG-CD1 4.24Å; P843-I846 HydrophobicContact CG-CG1 4.24Å; P843-I846 HydrophobicContact CG-CG2 4.13Å; P843-I846 WeakPolarHBondContact O-CG1 3.43Å; S844-I846 PolarHBondContact O-N 3.39Å
847	C	91.3	Very high	84	Confident	4 Å²	4	54.8 Å²	54.8	3%	0.027	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	159.7	-173.5	77	0	0	0	0	112.4	L709 V797 L798 I799 F842 S844	L709-C847 WeakPolarHBondContact CD2-O 3.32Å; V797-C847 HydrophobicContact CB-CB 3.9Å; V797-C847 HydrophobicContact CG2-CB 3.95Å; L798-C847 CarbonylContact O-C 3.59Å; L798-C847 VanDerWaalsContact O-CA 3.28Å; L798-C847 WeakPolarHBondContact O-CA 3.33Å; I799-C847 HydrophobicContact CD1-CB 3.62Å; F842-C847 HydrophobicContact CE2-CB 4.35Å; S844-C847 PolarHBondContact O-N 2.81Å; S844-C847 VanDerWaalsContact O-N 3.16Å; S844-C847 PolarHBondContact O-SG 3.26Å
848	T	89.5	Confident	84.1	Confident	62 Å²	62	57.1 Å²	57.1	38%	0.38	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141	173	52.5	0	0	0	0	109.2	V797 L798 T800 V850	V797-T848 CarbonylContact C-O 3.47Å; V797-T848 WeakPolarHBondContact CA-O 3.35Å; L798-T848 PolarHBondContact N-O 3.47Å; L798-T848 PolarHBondContact O-N 3.18Å; T800-T848 HydrophobicContact CG2-CG2 3.59Å; T800-T848 VanDerWaalsContact CG2-OG1 3.32Å; T800-T848 WeakPolarHBondContact CG2-OG1 3.32Å; T848-V850 PolarHBondContact O-N 2.89Å
849	E	86.9	Confident	83.7	Confident	63 Å²	63	56.7 Å²	56.7	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	129.3	177	-170.3	-171.9	175	0	0	110	L709 K851	L709-E849 HydrophobicContact CD1-CB 4.16Å; E849-K851 VanDerWaalsContact CD-CE 3.49Å; E849-K851 HydrophobicContact CG-CG 4.29Å; E849-K851 PolarHBondContact O-N 3.43Å; E849-K851 WeakPolarHBondContact OE2-CE 3.37Å; E849-K851 IonicContact OE2-NZ 2.82Å
850	V	82.1	Confident	83.1	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.018	28%	0.283	C	S	.	.			trans	-75.6	95.7	175.9	179.5	0	0	0	0	108.5	Q796 L798 T848 M855 K856	Q796-V850 HydrophobicContact CB-CB 4.5Å; Q796-V850 PolarHBondContact O-N 3.49Å; L798-V850 HydrophobicContact CB-CG2 3.7Å; T848-V850 PolarHBondContact O-N 2.89Å; V850-M855 HydrophobicContact CB-CE 4Å; V850-M855 HydrophobicContact CG1-CE 3.49Å; V850-M855 VanDerWaalsContact CG1-CE 3.49Å; V850-M855 HydrophobicContact CG2-CE 3.67Å; V850-K856 HydrophobicContact CG1-CD 4.42Å; V850-K856 HydrophobicContact CG1-CG 3.55Å; V850-K856 WeakPolarHBondContact O-CE 3.32Å; V850-K856 PolarHBondContact O-NZ 3.01Å
851	K	76.1	Confident	82.5	Confident	158 Å²	158	62 Å²	62	69%	0.687	31%	0.305	S	S	*	.			trans	-92.4	-32.3	173.1	-64.1	-171.6	179.8	-174.4	0	112.8	E849 S853	E849-K851 VanDerWaalsContact CD-CE 3.49Å; E849-K851 HydrophobicContact CG-CG 4.29Å; E849-K851 PolarHBondContact O-N 3.43Å; E849-K851 WeakPolarHBondContact OE2-CE 3.37Å; E849-K851 IonicContact OE2-NZ 2.82Å; K851-S853 PolarHBondContact O-N 2.85Å
852	D	76.7	Confident	81.8	Confident	89 Å²	89	65.6 Å²	65.6	48%	0.476	32%	0.324	S	S	.	.			trans	-67.6	118.1	-174	-173.1	-3.7	0	0	0	112.4	S854 M855 K856	D852-S854 PolarHBondContact O-N 2.92Å; D852-S854 PolarHBondContact OD1-N 3.46Å; D852-M855 HydrophobicContact CB-CB 4.27Å; D852-M855 PolarHBondContact O-N 2.9Å; D852-K856 WeakPolarHBondContact O-CG 3.43Å; D852-K856 PolarHBondContact O-N 3.08Å; D852-K856 VanDerWaalsContact O-N 3.09Å
853	S	75.4	Confident	81.1	Confident	80 Å²	80	69.5 Å²	69.5	56%	0.559	34%	0.341	S	S	*	.	H	α-helix	trans	-59	-31.3	177.3	65.4	0	0	0	0	113.8	K851 R857	K851-S853 PolarHBondContact O-N 2.85Å; S853-R857 PolarHBondContact O-N 3.37Å
854	S	76.8	Confident	80.7	Confident	70 Å²	70	72 Å²	72	49%	0.49	35%	0.353	S	S	.	.	H	α-helix	trans	-71.6	-43.3	-179.1	-55.6	0	0	0	0	111	D852 R857 E858	D852-S854 PolarHBondContact O-N 2.92Å; D852-S854 PolarHBondContact OD1-N 3.46Å; S854-R857 WeakPolarHBondContact O-CB 3.25Å; S854-R857 PolarHBondContact O-N 3.01Å; S854-R857 VanDerWaalsContact O-N 3.17Å; S854-E858 PolarHBondContact O-N 3.34Å; S854-E858 VanDerWaalsContact O-N 3.08Å
855	M	71.8	Confident	80.4	Confident	60 Å²	60	73 Å²	73	30%	0.296	36%	0.357	S	S	.	.	H	α-helix	trans	-65.2	-43.5	175.8	-165.6	167.3	67	0	0	110.7	L798 V850 D852 R857 E858 N859	L798-M855 HydrophobicContact CB-CE 4.4Å; L798-M855 HydrophobicContact CD2-CE 3.9Å; L798-M855 HydrophobicContact CD2-SD 3.74Å; V850-M855 HydrophobicContact CB-CE 4Å; V850-M855 HydrophobicContact CG1-CE 3.49Å; V850-M855 VanDerWaalsContact CG1-CE 3.49Å; V850-M855 HydrophobicContact CG2-CE 3.67Å; D852-M855 HydrophobicContact CB-CB 4.27Å; D852-M855 PolarHBondContact O-N 2.9Å; M855-R857 PolarHBondContact O-N 3.44Å; M855-E858 PolarHBondContact O-N 2.81Å; M855-N859 VanDerWaalsContact O-CB 3.29Å; M855-N859 WeakPolarHBondContact O-CB 3.43Å; M855-N859 PolarHBondContact O-N 2.95Å; M855-N859 PolarHBondContact O-ND2 3.22Å; M855-N859 VanDerWaalsContact O-ND2 3.09Å; M855-N859 PolarHBondContact O-OD1 3.39Å
856	K	71.9	Confident	80.2	Confident	94 Å²	94	69.4 Å²	69.4	41%	0.409	34%	0.341	S	S	.	.	H	α-helix	trans	-54.6	-39.4	171.7	-70.2	-173.8	-178.2	-178.5	0	112.3	V850 D852 M860	V850-K856 HydrophobicContact CG1-CD 4.42Å; V850-K856 HydrophobicContact CG1-CG 3.55Å; V850-K856 WeakPolarHBondContact O-CE 3.32Å; V850-K856 PolarHBondContact O-NZ 3.01Å; D852-K856 WeakPolarHBondContact O-CG 3.43Å; D852-K856 PolarHBondContact O-N 3.08Å; D852-K856 VanDerWaalsContact O-N 3.09Å; K856-M860 VanDerWaalsContact O-CB 3.3Å; K856-M860 WeakPolarHBondContact O-CB 3.41Å; K856-M860 PolarHBondContact O-N 2.92Å
857	R	74.9	Confident	80	Confident	178 Å²	178	72.1 Å²	72.1	67%	0.672	35%	0.354	S	S	*	.	H	α-helix	trans	-68.1	-46.9	179.9	-172	-176.4	-66.8	156.9	-1.7	112.7	S853 S854 M855 N859 M860 K861	S853-R857 PolarHBondContact O-N 3.37Å; S854-R857 WeakPolarHBondContact O-CB 3.25Å; S854-R857 PolarHBondContact O-N 3.01Å; S854-R857 VanDerWaalsContact O-N 3.17Å; M855-R857 PolarHBondContact O-N 3.44Å; R857-N859 VanDerWaalsContact C-N 3.28Å; R857-N859 PolarHBondContact O-N 2.78Å; R857-M860 PolarHBondContact O-N 2.87Å; R857-K861 PolarHBondContact O-N 2.79Å
858	E	74.5	Confident	80	Confident	92 Å²	92	74.7 Å²	74.7	43%	0.43	37%	0.365	S	S	.	.	H	α-helix	trans	-65.9	-36.4	177.9	-170.3	61.2	-159.3	0	0	111.3	S854 M855 K861 N862	S854-E858 PolarHBondContact O-N 3.34Å; S854-E858 VanDerWaalsContact O-N 3.08Å; M855-E858 PolarHBondContact O-N 2.81Å; E858-K861 WeakPolarHBondContact O-CB 3.38Å; E858-K861 PolarHBondContact O-N 2.86Å; E858-K861 IonicContact OE1-NZ 3.94Å; E858-K861 IonicContact OE2-NZ 2.97Å; E858-N862 PolarHBondContact O-N 3.08Å; E858-N862 PolarHBondContact O-ND2 3.39Å
859	N	71.4	Confident	80.2	Confident	21 Å²	21	71.7 Å²	71.7	11%	0.112	35%	0.347	C	S	.	.	H	α-helix	trans	-62.7	-46.5	174.1	-65.5	-14.7	0	0	0	111.9	Q818 M855 R857 K861 N862 F863	Q818-N859 PolarHBondContact NE2-ND2 2.85Å; Q818-N859 PolarHBondContact NE2-OD1 2.59Å; Q818-N859 PolarHBondContact OE1-ND2 2.66Å; M855-N859 VanDerWaalsContact O-CB 3.29Å; M855-N859 WeakPolarHBondContact O-CB 3.43Å; M855-N859 PolarHBondContact O-N 2.95Å; M855-N859 PolarHBondContact O-ND2 3.22Å; M855-N859 VanDerWaalsContact O-ND2 3.09Å; M855-N859 PolarHBondContact O-OD1 3.39Å; R857-N859 VanDerWaalsContact C-N 3.28Å; R857-N859 PolarHBondContact O-N 2.78Å; N859-K861 VanDerWaalsContact C-N 3.26Å; N859-K861 PolarHBondContact O-N 3.12Å; N859-N862 PolarHBondContact O-N 2.58Å; N859-F863 PolarHBondContact O-N 3.5Å
860	M	75.3	Confident	80.4	Confident	69 Å²	69	72.7 Å²	72.7	34%	0.34	35%	0.35	S	S	.	.	H	α-helix	trans	-58.6	-41.5	174.8	-172.3	62.8	68	0	0	110.8	F112 K856 R857 N862 F863 M864	F112-M860 HydrophobicContact CE2-SD 4.38Å; K856-M860 VanDerWaalsContact O-CB 3.3Å; K856-M860 WeakPolarHBondContact O-CB 3.41Å; K856-M860 PolarHBondContact O-N 2.92Å; R857-M860 PolarHBondContact O-N 2.87Å; M860-N862 PolarHBondContact O-N 3.37Å; M860-F863 PolarHBondContact O-N 3.32Å; M860-F863 HydrophobicContact SD-CD1 4.47Å; M860-M864 HydrophobicContact CG-CE 4.3Å; M860-M864 HydrophobicContact CG-CG 4.29Å; M860-M864 WeakPolarHBondContact O-CB 3.4Å; M860-M864 WeakPolarHBondContact O-CG 3.49Å; M860-M864 PolarHBondContact O-N 3.28Å; M860-M864 HydrophobicContact SD-CE 3.69Å; M860-M864 HydrophobicContact SD-CG 4.41Å
861	K	78.6	Confident	81	Confident	115 Å²	115	74.6 Å²	74.6	50%	0.5	37%	0.366	S	S	.	.	H	α-helix	trans	-61.5	-45.2	177.2	-177.6	-172.5	169.9	-161.7	0	112.2	R857 E858 N859 M864 L865	R857-K861 PolarHBondContact O-N 2.79Å; E858-K861 WeakPolarHBondContact O-CB 3.38Å; E858-K861 PolarHBondContact O-N 2.86Å; E858-K861 IonicContact OE1-NZ 3.94Å; E858-K861 IonicContact OE2-NZ 2.97Å; N859-K861 VanDerWaalsContact C-N 3.26Å; N859-K861 PolarHBondContact O-N 3.12Å; K861-M864 PolarHBondContact O-N 2.91Å; K861-L865 WeakPolarHBondContact O-CB 3.49Å; K861-L865 PolarHBondContact O-N 2.99Å
862	N	79.1	Confident	81.8	Confident	77 Å²	77	67.9 Å²	67.9	41%	0.412	34%	0.34	S	S	.	.	H	α-helix	trans	-65.9	-40.1	177	-74.4	-34.9	0	0	0	112.2	E858 N859 M860 L865 M866	E858-N862 PolarHBondContact O-N 3.08Å; E858-N862 PolarHBondContact O-ND2 3.39Å; N859-N862 PolarHBondContact O-N 2.58Å; M860-N862 PolarHBondContact O-N 3.37Å; N862-L865 PolarHBondContact O-N 2.9Å; N862-M866 PolarHBondContact O-N 3.3Å; N862-M866 VanDerWaalsContact O-N 3.1Å
863	F	80.4	Confident	82.6	Confident	83 Å²	83	64.9 Å²	64.9	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-60.9	-47.7	173.9	176.9	-96	0	0	0	111.4	N859 M860 L865 M866 E867	N859-F863 PolarHBondContact O-N 3.5Å; M860-F863 PolarHBondContact O-N 3.32Å; M860-F863 HydrophobicContact SD-CD1 4.47Å; F863-L865 VanDerWaalsContact C-N 3.35Å; F863-L865 PolarHBondContact O-N 2.87Å; F863-M866 WeakPolarHBondContact O-CB 3.39Å; F863-M866 PolarHBondContact O-N 3.12Å; F863-M866 VanDerWaalsContact O-N 3.1Å; F863-E867 HydrophobicContact CD1-CG 4.22Å; F863-E867 HydrophobicContact CE1-CG 3.7Å; F863-E867 HydrophobicContact CE2-CG 4.25Å; F863-E867 HydrophobicContact CZ-CG 3.71Å; F863-E867 PolarHBondContact O-N 2.9Å
864	M	85	Confident	83.5	Confident	62 Å²	62	68.6 Å²	68.6	31%	0.305	32%	0.324	S	S	.	.	H	α-helix	trans	-62.1	-40.9	178.4	-70	-66.8	-179	0	0	112.1	F112 M860 K861 M866 E867 E868	F112-M864 HydrophobicContact CD2-CE 3.99Å; F112-M864 HydrophobicContact CE2-CE 3.6Å; F112-M864 HydrophobicContact CZ-CE 4.42Å; M860-M864 HydrophobicContact CG-CE 4.3Å; M860-M864 HydrophobicContact CG-CG 4.29Å; M860-M864 WeakPolarHBondContact O-CB 3.4Å; M860-M864 WeakPolarHBondContact O-CG 3.49Å; M860-M864 PolarHBondContact O-N 3.28Å; M860-M864 HydrophobicContact SD-CE 3.69Å; M860-M864 HydrophobicContact SD-CG 4.41Å; K861-M864 PolarHBondContact O-N 2.91Å; M864-M866 VanDerWaalsContact C-N 3.26Å; M864-M866 PolarHBondContact O-N 3.11Å; M864-E867 PolarHBondContact O-N 3.16Å; M864-E868 WeakPolarHBondContact O-CB 3.11Å; M864-E868 PolarHBondContact O-N 3.31Å
865	L	88.3	Confident	84.3	Confident	32 Å²	32	69.7 Å²	69.7	17%	0.168	33%	0.328	C	S	.	.	H	α-helix	trans	-59.2	-40.3	174.1	-179.2	65.6	0	0	0	111.6	T539 L542 L556 L559 K861 N862 F863 A869	T539-L865 HydrophobicContact CG2-CD2 4.46Å; L542-L865 HydrophobicContact CD1-CD1 4.37Å; L556-L865 HydrophobicContact CD2-CD1 3.79Å; L559-L865 HydrophobicContact CD2-CD2 4.45Å; L559-L865 HydrophobicContact CD2-CG 4.41Å; K861-L865 WeakPolarHBondContact O-CB 3.49Å; K861-L865 PolarHBondContact O-N 2.99Å; N862-L865 PolarHBondContact O-N 2.9Å; F863-L865 VanDerWaalsContact C-N 3.35Å; F863-L865 PolarHBondContact O-N 2.87Å; L865-A869 WeakPolarHBondContact O-CB 3.44Å; L865-A869 PolarHBondContact O-N 3.29Å
866	M	86.9	Confident	85.3	Confident	39 Å²	39	70.2 Å²	70.2	19%	0.192	33%	0.326	C	S	.	.	H	α-helix	trans	-69.2	-40.2	178.7	-167.6	54.3	60.4	0	0	112.3	L559 E563 N862 F863 M864 A869 K870	L559-M866 HydrophobicContact CD2-CE 4.39Å; E563-M866 HydrophobicContact CB-SD 4.23Å; E563-M866 HydrophobicContact CG-CE 3.62Å; E563-M866 HydrophobicContact CG-SD 3.76Å; E563-M866 WeakPolarHBondContact OE1-CE 3.43Å; N862-M866 PolarHBondContact O-N 3.3Å; N862-M866 VanDerWaalsContact O-N 3.1Å; F863-M866 WeakPolarHBondContact O-CB 3.39Å; F863-M866 PolarHBondContact O-N 3.12Å; F863-M866 VanDerWaalsContact O-N 3.1Å; M864-M866 VanDerWaalsContact C-N 3.26Å; M864-M866 PolarHBondContact O-N 3.11Å; M866-A869 PolarHBondContact O-N 3.42Å; M866-K870 VanDerWaalsContact O-CG 3.32Å; M866-K870 WeakPolarHBondContact O-CG 3.23Å; M866-K870 PolarHBondContact O-N 3.48Å
867	E	87.3	Confident	86.2	Confident	63 Å²	63	68.1 Å²	68.1	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-66.8	-39.6	175.5	-70.4	-56.8	109.2	0	0	112	F863 M864 K870 A871	F863-E867 HydrophobicContact CD1-CG 4.22Å; F863-E867 HydrophobicContact CE1-CG 3.7Å; F863-E867 HydrophobicContact CE2-CG 4.25Å; F863-E867 HydrophobicContact CZ-CG 3.71Å; F863-E867 PolarHBondContact O-N 2.9Å; M864-E867 PolarHBondContact O-N 3.16Å; E867-K870 PolarHBondContact O-N 3.27Å; E867-K870 WeakPolarHBondContact OE1-CD 3.4Å; E867-K870 IonicContact OE1-NZ 3.36Å; E867-K870 PolarHBondContact OE1-NZ 3.31Å; E867-A871 WeakPolarHBondContact O-CB 3.48Å; E867-A871 PolarHBondContact O-N 3.4Å
868	E	91.7	Very high	87	Confident	58 Å²	58	62.9 Å²	62.9	27%	0.271	31%	0.308	S	S	.	.	H	α-helix	trans	-60.9	-45.6	172.7	-171.9	178.5	-173.4	0	0	111.1	Y552 L556 M864 K870 A871 A872	Y552-E868 PolarHBondContact OH-OE2 2.67Å; L556-E868 HydrophobicContact CD1-CG 3.76Å; L556-E868 HydrophobicContact CD2-CB 4.47Å; L556-E868 HydrophobicContact CD2-CG 4.23Å; M864-E868 WeakPolarHBondContact O-CB 3.11Å; M864-E868 PolarHBondContact O-N 3.31Å; E868-K870 PolarHBondContact O-N 2.99Å; E868-A871 WeakPolarHBondContact O-CB 3.26Å; E868-A871 PolarHBondContact O-N 3.15Å; E868-A872 PolarHBondContact O-N 3.35Å
869	A	93	Very high	87.6	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-59.8	-46.4	175.7	0	0	0	0	0	111.9	L556 L559 A560 L865 M866 A871 A872 Y873	L556-A869 HydrophobicContact CD2-CB 4.03Å; L556-A869 WeakPolarHBondContact O-CB 3.5Å; L559-A869 HydrophobicContact CB-CB 4.49Å; L559-A869 HydrophobicContact CD2-CB 4.28Å; L559-A869 HydrophobicContact CG-CB 4.49Å; A560-A869 HydrophobicContact CB-CB 4.02Å; A560-A869 WeakPolarHBondContact CB-O 3.45Å; L865-A869 WeakPolarHBondContact O-CB 3.44Å; L865-A869 PolarHBondContact O-N 3.29Å; M866-A869 PolarHBondContact O-N 3.42Å; A869-A871 VanDerWaalsContact C-N 3.3Å; A869-A871 PolarHBondContact O-N 2.86Å; A869-A872 PolarHBondContact O-N 3.19Å; A869-Y873 WeakPolarHBondContact O-CB 3.41Å; A869-Y873 PolarHBondContact O-N 2.92Å
870	K	92	Very high	88.2	Confident	83 Å²	83	70.8 Å²	70.8	36%	0.361	34%	0.336	S	S	.	.	H	α-helix	trans	-62.4	-36.2	175.8	-72.2	172.2	-170.7	166.6	0	112.3	M866 E867 E868 R874	M866-K870 VanDerWaalsContact O-CG 3.32Å; M866-K870 WeakPolarHBondContact O-CG 3.23Å; M866-K870 PolarHBondContact O-N 3.48Å; E867-K870 PolarHBondContact O-N 3.27Å; E867-K870 WeakPolarHBondContact OE1-CD 3.4Å; E867-K870 IonicContact OE1-NZ 3.36Å; E867-K870 PolarHBondContact OE1-NZ 3.31Å; E868-K870 PolarHBondContact O-N 2.99Å; K870-R874 WeakPolarHBondContact O-CG 3.49Å; K870-R874 PolarHBondContact O-N 3.15Å; K870-R874 VanDerWaalsContact O-N 3.1Å; K870-R874 PolarHBondContact O-NE 3.11Å
871	A	93	Very high	88.3	Confident	43 Å²	43	72.7 Å²	72.7	36%	0.355	35%	0.352	S	S	.	.	H	α-helix	trans	-67	-48.7	175.7	0	0	0	0	0	111.1	E867 E868 A869 Y873 R874 V875	E867-A871 WeakPolarHBondContact O-CB 3.48Å; E867-A871 PolarHBondContact O-N 3.4Å; E868-A871 WeakPolarHBondContact O-CB 3.26Å; E868-A871 PolarHBondContact O-N 3.15Å; A869-A871 VanDerWaalsContact C-N 3.3Å; A869-A871 PolarHBondContact O-N 2.86Å; A871-Y873 VanDerWaalsContact C-N 3.32Å; A871-Y873 PolarHBondContact O-N 2.95Å; A871-R874 WeakPolarHBondContact O-CB 3.36Å; A871-R874 PolarHBondContact O-N 3.39Å; A871-R874 VanDerWaalsContact O-N 3.16Å; A871-V875 WeakPolarHBondContact O-CG2 3.44Å; A871-V875 PolarHBondContact O-N 3.39Å
872	A	93.9	Very high	87.6	Confident	17 Å²	17	74.7 Å²	74.7	14%	0.14	36%	0.361	C	S	.	.	H	α-helix	trans	-58.2	-43.2	177.2	0	0	0	0	0	112	L556 V557 E868 A869 V875 R876	L556-A872 HydrophobicContact CB-CB 3.95Å; L556-A872 HydrophobicContact CD1-CB 4.45Å; V557-A872 HydrophobicContact CG2-CB 3.97Å; E868-A872 PolarHBondContact O-N 3.35Å; A869-A872 PolarHBondContact O-N 3.19Å; A872-V875 PolarHBondContact O-N 2.86Å; A872-R876 PolarHBondContact O-N 3.19Å
873	Y	94.2	Very high	86.5	Confident	27 Å²	27	76.7 Å²	76.7	11%	0.106	37%	0.371	C	S	.	.	H	α-helix	trans	-62.9	-42.3	175.8	-177.7	-91.1	0	0	0	112.9	Y469 E473 V557 A560 K564 A869 A871 V875 R876 K877	Y469-Y873 HydrophobicContact CE2-CD2 4.17Å; Y469-Y873 AromaticContact CE2-CE2 3.86Å; Y469-Y873 HydrophobicContact CE2-CE2 3.86Å; E473-Y873 VanDerWaalsContact CD-OH 3.3Å; E473-Y873 WeakPolarHBondContact OE1-CE2 3.25Å; E473-Y873 PolarHBondContact OE1-OH 3.37Å; E473-Y873 PolarHBondContact OE2-OH 2.91Å; V557-Y873 HydrophobicContact CG1-CD2 4.31Å; A560-Y873 HydrophobicContact CB-CD2 4.16Å; A560-Y873 HydrophobicContact CB-CG 4.02Å; K564-Y873 HydrophobicContact CD-CE1 4.3Å; K564-Y873 WeakPolarHBondContact CD-OH 3.25Å; K564-Y873 PolarHBondContact NZ-OH 3.5Å; A869-Y873 WeakPolarHBondContact O-CB 3.41Å; A869-Y873 PolarHBondContact O-N 2.92Å; A871-Y873 VanDerWaalsContact C-N 3.32Å; A871-Y873 PolarHBondContact O-N 2.95Å; Y873-V875 VanDerWaalsContact C-N 3.33Å; Y873-V875 PolarHBondContact O-N 2.69Å; Y873-R876 PolarHBondContact O-N 3.11Å; Y873-K877 HydrophobicContact CD1-CG 4.02Å; Y873-K877 HydrophobicContact CE1-CD 4.43Å; Y873-K877 HydrophobicContact CE1-CG 3.57Å; Y873-K877 HydrophobicContact CE2-CG 4.36Å; Y873-K877 VanDerWaalsContact CZ-CE 3.47Å; Y873-K877 WeakPolarHBondContact O-CB 3.31Å; Y873-K877 WeakPolarHBondContact O-CG 3.45Å; Y873-K877 PolarHBondContact O-N 3.09Å; Y873-K877 WeakPolarHBondContact OH-CE 3.41Å
874	R	93.5	Very high	85.1	Confident	158 Å²	158	74.4 Å²	74.4	60%	0.596	37%	0.371	S	S	*	.	H	α-helix	trans	-60	-44.3	175.4	-79.9	-177.7	-80.5	177.3	-6	111.5	K870 A871 K877 S878	K870-R874 WeakPolarHBondContact O-CG 3.49Å; K870-R874 PolarHBondContact O-N 3.15Å; K870-R874 VanDerWaalsContact O-N 3.1Å; K870-R874 PolarHBondContact O-NE 3.11Å; A871-R874 WeakPolarHBondContact O-CB 3.36Å; A871-R874 PolarHBondContact O-N 3.39Å; A871-R874 VanDerWaalsContact O-N 3.16Å; R874-K877 PolarHBondContact O-N 2.73Å; R874-S878 PolarHBondContact O-N 3.5Å
875	V	93.4	Very high	83.4	Confident	92 Å²	92	79.7 Å²	79.7	56%	0.558	39%	0.392	S	S	*	.	H	α-helix	trans	-60.9	-48.7	175	174.6	0	0	0	0	110.5	A871 A872 Y873 K877 S878 R879	A871-V875 WeakPolarHBondContact O-CG2 3.44Å; A871-V875 PolarHBondContact O-N 3.39Å; A872-V875 PolarHBondContact O-N 2.86Å; Y873-V875 VanDerWaalsContact C-N 3.33Å; Y873-V875 PolarHBondContact O-N 2.69Å; V875-K877 PolarHBondContact O-N 3.08Å; V875-S878 PolarHBondContact O-N 3.02Å; V875-S878 PolarHBondContact O-OG 3.09Å; V875-R879 PolarHBondContact O-N 3.4Å; V875-R879 VanDerWaalsContact O-N 3.15Å
876	R	92.1	Very high	81.4	Confident	71 Å²	71	82.3 Å²	82.3	27%	0.268	41%	0.411	S	S	.	.	H	α-helix	trans	-55.8	-47.9	176.8	-176.9	68.8	157.9	98.3	-8.3	111.9	E466 Y469 V557 A872 Y873 R879 E880	E466-R876 IonicContact OE2-CZ 3.99Å; E466-R876 IonicContact OE2-NE 3.99Å; E466-R876 IonicContact OE2-NH2 3.08Å; E466-R876 PolarHBondContact OE2-NH2 2.93Å; E466-R876 VanDerWaalsContact OE2-NH2 3.08Å; Y469-R876 HydrophobicContact CE1-CG 4.23Å; V557-R876 HydrophobicContact CG1-CB 4.02Å; V557-R876 HydrophobicContact CG1-CG 3.85Å; V557-R876 HydrophobicContact CG2-CB 4.12Å; A872-R876 PolarHBondContact O-N 3.19Å; Y873-R876 PolarHBondContact O-N 3.11Å; R876-R879 WeakPolarHBondContact O-CB 3.42Å; R876-R879 PolarHBondContact O-N 3.21Å; R876-E880 WeakPolarHBondContact CG-OE1 3.49Å; R876-E880 IonicContact CZ-OE1 3.25Å; R876-E880 VanDerWaalsContact CZ-OE1 3.25Å; R876-E880 IonicContact NE-OE1 3.68Å; R876-E880 IonicContact NH1-OE1 2.65Å; R876-E880 PolarHBondContact NH1-OE1 3.36Å; R876-E880 PolarHBondContact O-N 3.44Å; R876-E880 VanDerWaalsContact O-N 3.09Å
877	K	92	Very high	79.6	Confident	50 Å²	50	88.6 Å²	88.6	22%	0.217	43%	0.433	C	S	.	.	H	α-helix	trans	-65.4	-40.6	-179.8	-75.4	-67	173.2	-162.8	0	112.9	Y469 E473 Y873 R874 V875 R879 E880 T881	Y469-K877 VanDerWaalsContact OH-CE 3.26Å; Y469-K877 WeakPolarHBondContact OH-CE 3.4Å; Y469-K877 PolarHBondContact OH-NZ 2.89Å; Y469-K877 VanDerWaalsContact OH-NZ 3.12Å; E473-K877 WeakPolarHBondContact OE2-CE 3.48Å; E473-K877 IonicContact OE2-NZ 3.67Å; E473-K877 PolarHBondContact OE2-NZ 2.92Å; Y873-K877 HydrophobicContact CD1-CG 4.02Å; Y873-K877 HydrophobicContact CE1-CD 4.43Å; Y873-K877 HydrophobicContact CE1-CG 3.57Å; Y873-K877 HydrophobicContact CE2-CG 4.36Å; Y873-K877 VanDerWaalsContact CZ-CE 3.47Å; Y873-K877 WeakPolarHBondContact O-CB 3.31Å; Y873-K877 WeakPolarHBondContact O-CG 3.45Å; Y873-K877 PolarHBondContact O-N 3.09Å; Y873-K877 WeakPolarHBondContact OH-CE 3.41Å; R874-K877 PolarHBondContact O-N 2.73Å; V875-K877 PolarHBondContact O-N 3.08Å; K877-R879 PolarHBondContact O-N 3.28Å; K877-E880 WeakPolarHBondContact CD-OE2 3.43Å; K877-E880 IonicContact NZ-OE2 3.74Å; K877-E880 PolarHBondContact NZ-OE2 3.19Å; K877-E880 PolarHBondContact O-N 3.26Å; K877-E880 VanDerWaalsContact O-N 3.16Å; K877-T881 WeakPolarHBondContact O-CG2 2.99Å; K877-T881 PolarHBondContact O-N 3.37Å; K877-T881 PolarHBondContact O-OG1 2.81Å
878	S	90.4	Very high	77.8	Confident	69 Å²	69	93.4 Å²	93.4	48%	0.483	46%	0.458	S	S	.	.	H	α-helix	trans	-58.6	-37.6	174.8	72.8	0	0	0	0	112.2	R874 V875 T881 F882	R874-S878 PolarHBondContact O-N 3.5Å; V875-S878 PolarHBondContact O-N 3.02Å; V875-S878 PolarHBondContact O-OG 3.09Å; S878-T881 WeakPolarHBondContact CA-OG1 3.33Å; S878-T881 PolarHBondContact O-OG1 2.71Å; S878-F882 PolarHBondContact O-N 3Å; S878-F882 VanDerWaalsContact O-N 3.14Å
879	R	88.3	Confident	75.9	Confident	197 Å²	197	98.5 Å²	98.5	74%	0.743	48%	0.479	S	S	*	.	H	α-helix	trans	-71.1	-33	177.5	-123.9	175.7	74.5	165.7	3	113.4	V875 R876 K877	V875-R879 PolarHBondContact O-N 3.4Å; V875-R879 VanDerWaalsContact O-N 3.15Å; R876-R879 WeakPolarHBondContact O-CB 3.42Å; R876-R879 PolarHBondContact O-N 3.21Å; K877-R879 PolarHBondContact O-N 3.28Å
880	E	84.7	Confident	74	Confident	81 Å²	81	102.4 Å²	102.4	38%	0.379	50%	0.5	S	S	.	.	H	α-helix	trans	-74.1	-37.9	175.2	-73.3	170.5	-166	0	0	112.3	Y469 R876 K877 F882	Y469-E880 VanDerWaalsContact CE1-OE1 3.28Å; Y469-E880 WeakPolarHBondContact CE1-OE1 3.34Å; Y469-E880 VanDerWaalsContact CZ-OE1 3.31Å; Y469-E880 PolarHBondContact OH-OE1 3.4Å; Y469-E880 PolarHBondContact OH-OE2 3.46Å; Y469-E880 VanDerWaalsContact OH-OE2 3.07Å; R876-E880 WeakPolarHBondContact CG-OE1 3.49Å; R876-E880 IonicContact CZ-OE1 3.25Å; R876-E880 VanDerWaalsContact CZ-OE1 3.25Å; R876-E880 IonicContact NE-OE1 3.68Å; R876-E880 IonicContact NH1-OE1 2.65Å; R876-E880 PolarHBondContact NH1-OE1 3.36Å; R876-E880 PolarHBondContact O-N 3.44Å; R876-E880 VanDerWaalsContact O-N 3.09Å; K877-E880 WeakPolarHBondContact CD-OE2 3.43Å; K877-E880 IonicContact NZ-OE2 3.74Å; K877-E880 PolarHBondContact NZ-OE2 3.19Å; K877-E880 PolarHBondContact O-N 3.26Å; K877-E880 VanDerWaalsContact O-N 3.16Å; E880-F882 VanDerWaalsContact C-N 3.29Å
881	T	76.3	Confident	72.1	Confident	110 Å²	110	102.1 Å²	102.1	68%	0.675	50%	0.501	S	S	*	.	H	α-helix	trans	-76.9	-16.8	178.9	51.8	0	0	0	0	113.3	K877 S878 D883	K877-T881 WeakPolarHBondContact O-CG2 2.99Å; K877-T881 PolarHBondContact O-N 3.37Å; K877-T881 PolarHBondContact O-OG1 2.81Å; S878-T881 WeakPolarHBondContact CA-OG1 3.33Å; S878-T881 PolarHBondContact O-OG1 2.71Å; T881-D883 PolarHBondContact O-N 3.15Å
882	F	63.9	Low	70.1	Confident	156 Å²	156	108.9 Å²	108.9	68%	0.684	52%	0.518	S	S	*	.			trans	-69.9	83.3	175.6	-170.3	-100.8	0	0	0	109.5	S878 E880 G884	S878-F882 PolarHBondContact O-N 3Å; S878-F882 VanDerWaalsContact O-N 3.14Å; E880-F882 VanDerWaalsContact C-N 3.29Å; F882-G884 PolarHBondContact O-N 2.96Å
883	D	55.9	Low	68.1	Low	120 Å²	120	112.6 Å²	112.6	64%	0.642	54%	0.535	S	S	*	.			trans	-69.6	84.6	162.2	-166.5	9.6	0	0	0	106.5	T881 F885	T881-D883 PolarHBondContact O-N 3.15Å; D883-F885 PolarHBondContact O-N 2.81Å
884	G	50.9	Low	66.1	Low	34 Å²	34	114 Å²	114	35%	0.351	55%	0.549	S	S	.	.	S	Bend	trans	-70.6	46.3	-168.3	0	0	0	0	0	114.4	F882	F882-G884 PolarHBondContact O-N 2.96Å
885	F	49.3	Very low	64	Low	173 Å²	173	111.4 Å²	111.4	76%	0.759	55%	0.547	S	S	*	.	S	Bend	trans	-159.1	118.3	156.2	-85.1	-77	0	0	0	107	D883 R887	D883-F885 PolarHBondContact O-N 2.81Å; F885-R887 PolarHBondContact O-N 2.95Å
886	P	47	Very low	62.1	Low	87 Å²	87	115.7 Å²	115.7	57%	0.565	55%	0.553	S	S	*	*			trans	-52.5	120.1	164.7	-18.4	29	0	0	0	107	M888 I891	P886-M888 PolarHBondContact O-N 3.29Å; P886-M888 VanDerWaalsContact O-N 3.16Å; P886-I891 HydrophobicContact CB-CD1 4.17Å; P886-I891 HydrophobicContact CB-CG1 3.88Å
887	R	49.7	Very low	60.1	Low	171 Å²	171	117.2 Å²	117.2	65%	0.645	57%	0.567	S	S	*	*			trans	-53.8	131.6	177.1	-73.2	-177.8	-84.5	-158.5	-9.9	105.6	F885 K889 D890	F885-R887 PolarHBondContact O-N 2.95Å; R887-K889 CarbonylContact O-C 3.55Å; R887-K889 PolarHBondContact O-N 2.84Å; R887-D890 WeakPolarHBondContact O-CB 3.38Å; R887-D890 PolarHBondContact O-N 3.17Å
888	M	49.5	Very low	58	Low	165 Å²	165	120.6 Å²	120.6	81%	0.813	59%	0.586	S	S	*	*	H	α-helix	trans	-50.5	-20.6	-172.8	-121	-159.3	-77	0	0	114.1	P886 R892	P886-M888 PolarHBondContact O-N 3.29Å; P886-M888 VanDerWaalsContact O-N 3.16Å; M888-R892 PolarHBondContact O-N 3.29Å
889	K	51	Low	55.9	Low	165 Å²	165	120 Å²	120	72%	0.717	59%	0.591	S	S	*	*	H	α-helix	trans	-64.6	-37.6	171.6	-56.8	-175.5	-178.1	-178.3	0	113.3	R887 R892 N893	R887-K889 CarbonylContact O-C 3.55Å; R887-K889 PolarHBondContact O-N 2.84Å; K889-R892 PolarHBondContact O-N 2.87Å; K889-N893 PolarHBondContact O-N 2.98Å
890	D	53.5	Low	54.1	Low	82 Å²	82	118.6 Å²	118.6	44%	0.439	59%	0.591	S	S	.	*	H	α-helix	trans	-72.6	-34.9	178.7	-54.6	-31.7	0	0	0	110.9	R887 N893 S894	R887-D890 WeakPolarHBondContact O-CB 3.38Å; R887-D890 PolarHBondContact O-N 3.17Å; D890-N893 PolarHBondContact O-N 3.1Å; D890-S894 PolarHBondContact O-N 3.05Å; D890-S894 PolarHBondContact O-OG 3.46Å
891	I	51.2	Low	52.3	Low	76 Å²	76	121.2 Å²	121.2	39%	0.39	61%	0.606	S	S	.	*	H	α-helix	trans	-67.2	-39.3	170.8	-56.8	176.9	0	0	0	110.5	P886 N893 S894 N895	P886-I891 HydrophobicContact CB-CD1 4.17Å; P886-I891 HydrophobicContact CB-CG1 3.88Å; I891-N893 VanDerWaalsContact C-N 3.32Å; I891-N893 PolarHBondContact O-N 3.39Å; I891-S894 WeakPolarHBondContact CA-OG 3.11Å; I891-S894 PolarHBondContact O-OG 3.36Å; I891-N895 PolarHBondContact O-N 3.33Å; I891-N895 VanDerWaalsContact O-N 3.09Å
892	R	52.6	Low	50.6	Low	186 Å²	186	127 Å²	127	70%	0.702	62%	0.615	S	S	*	*	H	α-helix	trans	-69.5	-30.5	178.7	-148.8	176.5	-159.9	179.2	5.8	112.7	M888 K889 R896	M888-R892 PolarHBondContact O-N 3.29Å; K889-R892 PolarHBondContact O-N 2.87Å; R892-R896 PolarHBondContact O-N 3.08Å
893	N	51.4	Low	49.4	Very low	95 Å²	95	131 Å²	131	51%	0.508	63%	0.625	S	S	.	*	H	α-helix	trans	-76.9	-43.1	175.7	-74	-7.5	0	0	0	112	K889 D890 I891 N895 R896 D897	K889-N893 PolarHBondContact O-N 2.98Å; D890-N893 PolarHBondContact O-N 3.1Å; I891-N893 VanDerWaalsContact C-N 3.32Å; I891-N893 PolarHBondContact O-N 3.39Å; N893-N895 VanDerWaalsContact C-N 3.28Å; N893-N895 PolarHBondContact O-N 3.2Å; N893-R896 WeakPolarHBondContact O-CB 3.48Å; N893-R896 PolarHBondContact O-N 3.1Å; N893-D897 PolarHBondContact O-N 2.93Å; N893-D897 VanDerWaalsContact O-N 3.13Å
894	S	51.5	Low	48.5	Very low	57 Å²	57	139.9 Å²	139.9	40%	0.399	65%	0.65	S	S	.	*	H	α-helix	trans	-61.8	-34.9	175	59.3	0	0	0	0	113	D890 I891 R896 D897 L898	D890-S894 PolarHBondContact O-N 3.05Å; D890-S894 PolarHBondContact O-OG 3.46Å; I891-S894 WeakPolarHBondContact CA-OG 3.11Å; I891-S894 PolarHBondContact O-OG 3.36Å; S894-R896 VanDerWaalsContact C-N 3.31Å; S894-R896 PolarHBondContact O-N 3.32Å; S894-D897 PolarHBondContact O-N 3.5Å; S894-L898 PolarHBondContact O-N 2.89Å
895	N	50.2	Low	48.4	Very low	103 Å²	103	145.2 Å²	145.2	55%	0.551	67%	0.665	S	S	*	*	H	α-helix	trans	-70.6	-23.3	173	-82.1	-25.7	0	0	0	113.8	I891 N893 G899	I891-N895 PolarHBondContact O-N 3.33Å; I891-N895 VanDerWaalsContact O-N 3.09Å; N893-N895 VanDerWaalsContact C-N 3.28Å; N893-N895 PolarHBondContact O-N 3.2Å; N895-G899 PolarHBondContact O-N 3.1Å
896	R	52	Low	48.4	Very low	181 Å²	181	143.7 Å²	143.7	68%	0.683	66%	0.66	S	S	*	*	H	α-helix	trans	-75.6	-33.5	171.3	-80	-174.9	177.7	-171.8	-0.3	112.1	R892 N893 S894 G899 K900	R892-R896 PolarHBondContact O-N 3.08Å; N893-R896 WeakPolarHBondContact O-CB 3.48Å; N893-R896 PolarHBondContact O-N 3.1Å; S894-R896 VanDerWaalsContact C-N 3.31Å; S894-R896 PolarHBondContact O-N 3.32Å; R896-G899 PolarHBondContact O-N 3.02Å; R896-K900 PolarHBondContact O-N 3.16Å
897	D	50.8	Low	48.5	Very low	104 Å²	104	146.9 Å²	146.9	56%	0.556	67%	0.666	S	S	*	*	H	α-helix	trans	-76.9	-34.2	178.3	-68.9	-28.7	0	0	0	112.2	N893 S894 G899 K900	N893-D897 PolarHBondContact O-N 2.93Å; N893-D897 VanDerWaalsContact O-N 3.13Å; S894-D897 PolarHBondContact O-N 3.5Å; D897-G899 VanDerWaalsContact C-N 3.26Å; D897-G899 PolarHBondContact O-N 2.99Å; D897-K900 PolarHBondContact O-N 2.86Å
898	L	47.1	Very low	48.4	Very low	120 Å²	120	145.5 Å²	145.5	63%	0.628	67%	0.667	S	S	*	*	H	α-helix	trans	-68	-26.4	169.7	-71.6	169.3	0	0	0	112.9	S894 K900	S894-L898 PolarHBondContact O-N 2.89Å; L898-K900 VanDerWaalsContact C-N 3.29Å; L898-K900 PolarHBondContact O-N 3.38Å
899	G	48.4	Very low	48.3	Very low	57 Å²	57	144.3 Å²	144.3	59%	0.588	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-19.7	173.2	0	0	0	0	0	114.5	N895 R896 D897	N895-G899 PolarHBondContact O-N 3.1Å; R896-G899 PolarHBondContact O-N 3.02Å; D897-G899 VanDerWaalsContact C-N 3.26Å; D897-G899 PolarHBondContact O-N 2.99Å
900	K	49.2	Very low	48.2	Very low	168 Å²	168	142.9 Å²	142.9	73%	0.73	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-13	180	-76.9	-175.6	177.7	178.8	0	114.4	R896 D897 L898 R902	R896-K900 PolarHBondContact O-N 3.16Å; D897-K900 PolarHBondContact O-N 2.86Å; L898-K900 VanDerWaalsContact C-N 3.29Å; L898-K900 PolarHBondContact O-N 3.38Å; K900-R902 VanDerWaalsContact C-N 3.31Å
901	I	48	Very low	47.8	Very low	135 Å²	135	147.2 Å²	147.2	69%	0.692	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-0	178.9	-62.7	173.2	0	0	0	112.1
902	R	40.5	Very low	47.5	Very low	232 Å²	232	152.7 Å²	152.7	88%	0.875	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.2	13.1	176.1	-119.7	179.9	-178.5	179.4	0.3	116.8	K900	K900-R902 VanDerWaalsContact C-N 3.31Å
903	R	38.5	Very low	47.1	Very low	239 Å²	239	149.9 Å²	149.9	90%	0.902	69%	0.69	S	S	*	*			trans	-145.9	67.7	164.3	-73.5	-165.6	179.9	179.6	-0.8	112.1
904	R	37.6	Very low	46.7	Very low	308 Å²	308	154.9 Å²	154.9	100%	1.162	71%	0.706	S	S	*	*			trans	-151.4	0	146.3	-85	-169.1	179.6	173.6	-2.1	105.9

Retrieved 904 of 904 residues in 219 ms (Link to these results)

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