A0A077ZGV7_TRITR Loading...

Solute carrier family 12

AlphaFold DB , UniProt , Accession A0A077ZGV7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,149 aa.

						>A0A077ZGV7_TRITR|A0A077ZGV7
MSRNLEDLADTSKADVEKEKGNIPKKALFSIEPQQATQSSQIKRKLKLRNRSASESSVAQTFKDESSSETQQTLAMASVEPSPHADNYANETETTASIPTLRTRPSLTMLHSDSMVHIDMGPQAKNDDNRDDSFGSADQNRTEKKVKPHVKLGWIEGVLIRSSLSVFGVIFYLRLTWIQAQAGIALASVIVIVSSLVGLLTGISLSAICTNGRVQSGGVYYIISRTLGAEFGGSIGIIFSLGNVTAAAITVLGFAETIVSLMQGFAVEIVDGATMDIRIIGWITATVLLVIVFTGVSFEAKAQLILMVILLASVTNYYVGTFLEPSIEARAKGIVGYDAETMKNNFLPDWRGEDFFSVLAIYFPAVAGFMTGANISGDLKNPETAIPKGTLLSIVITSSIYLSVMWMTGASSLRDASGSIEDLQAGTLTECAKNFTCMYGTHNNYQTLELEGAWGPLVTAGIFAASLSSALGAMVSGPKLFQAIAKDRLFPKLDFFEVGYGQNHEPRRAIIFTFILTMALVGIGDINAIAPMISNFFMATYALINYACFDASFSQAPGFRPSFKFYNKWISLLGAAICFALMFLINWWAALITTAFAITLYVYLLRRKPDVNWGSSLEANSYLSSLRRLLKLQFTREHVKTYRPQILLLTGSPIRRPELVDFASNITKNSCLLVCGHVILGTASEQMLEMVERYTKHMIVWLKARRIYAFYSPVVAPTVTEGVQYLLQMSGISGLKPNILFLGYKGNWIEATEKEIQEYFQIIHYGFDHGKGLAILRLPKGFDISSMLYESNFSDSLTDGLSAPEQYAQRYAVSRDDRVSPLRTTASMDSVFTDSVGLYAYENPRFKNSRLDLNSEKTSIDIPSLGTVGTEQNGLDSVFNDRKHRNSNMKIIMNDSEIESSIDAASIRDLNFEMVTSSTHAALKGRKKKSIMSKVIKHDRRRKSAGTQQLNVFKKKIKKAVIDVWWLYDDGGLTLLLPYLLTIDRSYLEGAKLRIFTSATDPEKADEQKTQLADLFAMFRIDVKDVFVIPDILRNPQDATMAEFNQLMDKFKTSENNSLQQEIGGDFTVYTDDVELASMKLRTNEQLRIREEMLQHSKDANLVVVTLPVPRKKAVSATLYLAWLEMLTKDMPPVLLVRGNQKSVLTYQN
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	34.4	Very low	237 Å²	237	166.5 Å²	166.5	100%	1.167	88%	0.882	S	S	*	*				0	129.3	0	-151.4	169.2	-172.2	0	0	105.6
2	S	30.6	Very low	34.2	Very low	110 Å²	110	161.7 Å²	161.7	77%	0.769	87%	0.872	S	S	*	*			trans	66	135.5	-146.9	80.3	0	0	0	0	113.8
3	R	33.1	Very low	34	Very low	238 Å²	238	164.9 Å²	164.9	90%	0.898	87%	0.873	S	S	*	*	S	Bend	trans	64	120.3	-177.1	-57.5	-176.6	-176.7	175.2	1.3	117.1
4	N	40.5	Very low	34.2	Very low	160 Å²	160	159.4 Å²	159.4	86%	0.856	86%	0.863	S	S	*	*			trans	131.7	66.5	165	-71.8	7.9	0	0	0	111.6
5	L	35.3	Very low	34.3	Very low	167 Å²	167	159.6 Å²	159.6	87%	0.874	86%	0.863	S	S	*	*			trans	-135.7	19.3	-179.2	-130.4	167.6	0	0	0	112.7
6	E	35.9	Very low	34.2	Very low	183 Å²	183	158.5 Å²	158.5	86%	0.855	86%	0.863	S	S	*	*			trans	-126.3	-11.7	-168.5	-73.9	173	133.9	0	0	115.9	L8	E6-L8 PolarHBondContact O-N 2.98Å
7	D	35.2	Very low	34.2	Very low	160 Å²	160	157.9 Å²	157.9	86%	0.856	85%	0.853	S	S	*	*			trans	-96.1	43.3	-174.5	-68.1	-35.2	0	0	0	114.8
8	L	34.2	Very low	34.2	Very low	183 Å²	183	158.8 Å²	158.8	96%	0.958	85%	0.847	S	S	*	*	S	Bend	trans	-132.7	45.1	174	-95.3	168.9	0	0	0	112.8	E6	E6-L8 PolarHBondContact O-N 2.98Å
9	A	30.7	Very low	34.3	Very low	84 Å²	84	161.2 Å²	161.2	69%	0.694	85%	0.853	S	S	*	*	S	Bend	trans	-135.8	157.2	162.1	0	0	0	0	0	109.5
10	D	32.5	Very low	34.1	Very low	156 Å²	156	163.8 Å²	163.8	83%	0.834	86%	0.857	S	S	*	*			trans	61.7	74.9	172.6	-64.2	-16.5	0	0	0	119.4
11	T	36.1	Very low	34.1	Very low	154 Å²	154	159.4 Å²	159.4	95%	0.945	85%	0.851	S	S	*	*			trans	-139.6	108.1	131.4	34.2	0	0	0	0	110.6
12	S	31.8	Very low	34.1	Very low	108 Å²	108	155.3 Å²	155.3	76%	0.755	83%	0.834	S	S	*	*			trans	-147	115.8	178.3	169.7	0	0	0	0	109.5
13	K	31.5	Very low	34.3	Very low	204 Å²	204	157.3 Å²	157.3	89%	0.887	83%	0.834	S	S	*	*			trans	164.8	154.7	145.3	-91.8	158.4	-175.4	176.8	0	111.8
14	A	36.2	Very low	34.3	Very low	88 Å²	88	151.3 Å²	151.3	73%	0.727	83%	0.826	S	S	*	*			trans	69.4	92.8	173.3	0	0	0	0	0	117.2
15	D	36.5	Very low	33.8	Very low	162 Å²	162	153.3 Å²	153.3	87%	0.866	83%	0.827	S	S	*	*				-169.5	121.8	96.5	-91	-18.8	0	0	0	111.2
16	V	31.8	Very low	33.7	Very low	142 Å²	142	155.4 Å²	155.4	86%	0.861	83%	0.829	S	S	*	*			trans	-149.7	117.8	179.9	172.9	0	0	0	0	109.2
17	E	34.7	Very low	33.6	Very low	148 Å²	148	151.4 Å²	151.4	69%	0.692	83%	0.827	S	S	*	*			trans	-167.9	144.7	136.9	-115.7	-166.3	175.5	0	0	114.3
18	K	35.1	Very low	33.3	Very low	174 Å²	174	150.8 Å²	150.8	76%	0.757	82%	0.823	S	S	*	*			trans	62.5	104.4	161.8	-62.5	155.7	179.7	147.9	0	116.4
19	E	35.5	Very low	33.1	Very low	204 Å²	204	151 Å²	151	95%	0.953	82%	0.817	S	S	*	*				-143.5	168.9	67.2	-104.7	-176.8	152.5	0	0	115.3
20	K	31	Very low	33.1	Very low	214 Å²	214	152.7 Å²	152.7	93%	0.93	82%	0.823	S	S	*	*			trans	-112.8	138.9	-167.5	-68.1	174.8	176.2	174.6	0	113.3
21	G	33.1	Very low	33	Very low	71 Å²	71	152.2 Å²	152.2	73%	0.732	82%	0.819	S	S	*	*			trans	171.3	107.9	160.8	0	0	0	0	0	114.7
22	N	34.6	Very low	32.6	Very low	151 Å²	151	152.7 Å²	152.7	81%	0.807	81%	0.811	S	S	*	*			trans	40.1	102.3	165.9	-62.2	-12	0	0	0	118.6
23	I	34.4	Very low	32.7	Very low	153 Å²	153	153.2 Å²	153.2	79%	0.785	81%	0.812	S	S	*	*				64.5	134.4	59.2	-53.7	174.7	0	0	0	113.2
24	P	34.6	Very low	32.5	Very low	112 Å²	112	151.8 Å²	151.8	73%	0.727	81%	0.808	S	S	*	*			cis	-118.5	149.8	-14.4	33	-16.4	0	0	0	113.2
25	K	29.5	Very low	32	Very low	201 Å²	201	156.7 Å²	156.7	87%	0.874	82%	0.816	S	S	*	*				67.7	102	52	-82	-167.2	175.6	-178.6	0	117.2
26	K	33.7	Very low	31.5	Very low	212 Å²	212	153.2 Å²	153.2	92%	0.922	81%	0.81	S	S	*	*			trans	157.4	144.2	134.9	-89.6	173.2	-179	-176.1	0	109.9
27	A	33.7	Very low	31.4	Very low	98 Å²	98	153 Å²	153	81%	0.81	81%	0.809	S	S	*	*			cis	-154.2	167.7	-10	0	0	0	0	0	110.2
28	L	28	Very low	31	Very low	147 Å²	147	154.1 Å²	154.1	77%	0.77	81%	0.814	S	S	*	*			trans	-123.5	144	-178.3	-151.5	77.1	0	0	0	108.5
29	F	31	Very low	30.6	Very low	189 Å²	189	150.9 Å²	150.9	83%	0.829	81%	0.813	S	S	*	*			trans	55.5	130.1	172	-67.7	-81.5	0	0	0	119.5
30	S	29.8	Very low	30.3	Very low	118 Å²	118	146.5 Å²	146.5	83%	0.825	81%	0.805	S	S	*	*				-166.2	167.5	106.7	-143.5	0	0	0	0	113.1
31	I	30.3	Very low	30.3	Very low	146 Å²	146	144.8 Å²	144.8	75%	0.749	80%	0.801	S	S	*	*			trans	-95.2	135.6	-178.1	-63.4	151.4	0	0	0	109.3
32	E	27.9	Very low	30.3	Very low	164 Å²	164	147 Å²	147	77%	0.766	80%	0.795	S	S	*	*			trans	171.3	149.8	130.4	-99.4	-177.7	131.7	0	0	112.6
33	P	33.5	Very low	30	Very low	120 Å²	120	149.3 Å²	149.3	78%	0.779	80%	0.797	S	S	*	*			trans	-100.2	107.2	178.4	35.2	-25.9	0	0	0	111.2
34	Q	27.7	Very low	29.8	Very low	174 Å²	174	153.3 Å²	153.3	81%	0.813	80%	0.803	S	S	*	*			trans	-130.1	134.7	172	-70.8	-166.4	-4.1	0	0	113.8
35	Q	25.7	Very low	29.7	Very low	191 Å²	191	157.8 Å²	157.8	89%	0.893	81%	0.811	S	S	*	*			trans	-68.4	172.5	172.2	-64	159.2	-42	0	0	110.7
36	A	25.7	Very low	29.7	Very low	89 Å²	89	154.2 Å²	154.2	74%	0.736	80%	0.801	S	S	*	*			trans	68.2	88.3	165.2	0	0	0	0	0	117.9
37	T	29.4	Very low	29.5	Very low	137 Å²	137	153.5 Å²	153.5	84%	0.84	80%	0.797	S	S	*	*				-144	71.4	124.2	-19.7	0	0	0	0	112	S39	T37-S39 PolarHBondContact O-N 2.91Å
38	Q	26.6	Very low	29.4	Very low	172 Å²	172	156.6 Å²	156.6	80%	0.804	80%	0.799	S	S	*	*			trans	-60	130.3	152	-64	173.1	-9.3	0	0	107.9
39	S	28	Very low	29.4	Very low	105 Å²	105	159.8 Å²	159.8	73%	0.734	80%	0.801	S	S	*	*			trans	165.5	10.2	148.1	49.7	0	0	0	0	118.2	T37	T37-S39 PolarHBondContact O-N 2.91Å
40	S	28.8	Very low	29.3	Very low	113 Å²	113	158.5 Å²	158.5	79%	0.79	80%	0.803	S	S	*	*	S	Bend	trans	-126.1	-9.1	-172.8	64	0	0	0	0	120.1
41	Q	30.5	Very low	29.3	Very low	177 Å²	177	163.9 Å²	163.9	83%	0.827	81%	0.805	S	S	*	*	S	Bend	trans	-128.4	8.4	171.2	-69.1	-158.5	-0.8	0	0	115.9	K43	Q41-K43 PolarHBondContact O-N 2.74Å
42	I	32.6	Very low	29.3	Very low	118 Å²	118	162.4 Å²	162.4	61%	0.605	81%	0.808	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.8	30	175.8	-54	167.4	0	0	0	111.4
43	K	28.3	Very low	29.4	Very low	200 Å²	200	159.5 Å²	159.5	87%	0.87	81%	0.812	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.4	1.5	177.8	-94.1	-177.4	176.6	176	0	115.4	Q41	Q41-K43 PolarHBondContact O-N 2.74Å
44	R	30.1	Very low	29.2	Very low	236 Å²	236	158.2 Å²	158.2	89%	0.891	81%	0.806	S	S	*	*	S	Bend	trans	-116.3	-12	173.1	-85.2	-177	171	170.2	-3.2	116
45	K	32.3	Very low	29.3	Very low	207 Å²	207	158.3 Å²	158.3	90%	0.9	81%	0.806	S	S	*	*	S	Bend	trans	-97.1	15.2	177.2	-75.3	-169.6	171.3	-174.3	0	115.3
46	L	29.8	Very low	29.4	Very low	126 Å²	126	155.1 Å²	155.1	66%	0.66	81%	0.805	S	S	*	*	S	Bend	trans	-134.1	16.8	-175	-112.7	140.1	0	0	0	114.6
47	K	29	Very low	29.5	Very low	196 Å²	196	156 Å²	156	85%	0.852	81%	0.806	S	S	*	*	S	Bend	trans	-114.6	12.4	178.1	-129.3	-179.7	-176.2	-174.6	0	114.9
48	L	31.8	Very low	29.6	Very low	163 Å²	163	155.1 Å²	155.1	85%	0.853	80%	0.8	S	S	*	*	S	Bend	trans	-129.1	24.5	179.6	-86	163.8	0	0	0	112.8
49	R	27.8	Very low	29.7	Very low	214 Å²	214	151.6 Å²	151.6	81%	0.808	80%	0.8	S	S	*	*	S	Bend	trans	-105.6	-5	-177.9	-164.1	166.9	175.8	176.5	-1.2	115.2
50	N	30	Very low	29.7	Very low	163 Å²	163	155.9 Å²	155.9	87%	0.872	81%	0.809	S	S	*	*	S	Bend	trans	-130	41.7	-179.1	-79.6	3.1	0	0	0	112.6
51	R	28.6	Very low	29.6	Very low	231 Å²	231	155.4 Å²	155.4	87%	0.872	80%	0.801	S	S	*	*	S	Bend	trans	-138.6	16.3	178.3	-124.8	-177.9	-172.4	-166.6	-0.3	116.2
52	S	30.5	Very low	29.5	Very low	115 Å²	115	156 Å²	156	80%	0.804	80%	0.801	S	S	*	*			trans	-127.4	62.7	175.1	60.2	0	0	0	0	109.8
53	A	30.2	Very low	29.2	Very low	102 Å²	102	159.4 Å²	159.4	84%	0.843	81%	0.812	S	S	*	*	S	Bend	trans	-131.2	22.9	175	0	0	0	0	0	111
54	S	29.2	Very low	29.2	Very low	94 Å²	94	156.5 Å²	156.5	66%	0.657	81%	0.806	S	S	*	*	S	Bend	trans	-155.4	48.8	-169.1	62.6	0	0	0	0	112.1
55	E	29.9	Very low	29.2	Very low	175 Å²	175	154.4 Å²	154.4	82%	0.818	81%	0.806	S	S	*	*			trans	-153.6	27.1	170.6	-117.9	153.9	-131.8	0	0	113.3	S57	E55-S57 PolarHBondContact O-N 3.49Å
56	S	28.3	Very low	29	Very low	125 Å²	125	148.1 Å²	148.1	87%	0.874	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	58.1	165.9	58.2	0	0	0	0	110.8
57	S	28.7	Very low	29.1	Very low	108 Å²	108	146.6 Å²	146.6	76%	0.755	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.3	21.3	-174.2	-166.6	0	0	0	0	115.9	E55	E55-S57 PolarHBondContact O-N 3.49Å
58	V	29.9	Very low	29.1	Very low	118 Å²	118	140.6 Å²	140.6	72%	0.715	77%	0.771	S	S	*	*	S	Bend	trans	-136.5	34.6	173.3	-154.9	0	0	0	0	112
59	A	28.7	Very low	29	Very low	98 Å²	98	139.4 Å²	139.4	81%	0.81	76%	0.761	S	S	*	*	S	Bend	trans	-115	23.1	-176.6	0	0	0	0	0	113.6
60	Q	27.9	Very low	29.2	Very low	194 Å²	194	133.1 Å²	133.1	91%	0.907	75%	0.746	S	S	*	*	S	Bend	trans	-137.2	13.2	-176.5	-75.1	-169.6	-23.9	0	0	115.1
61	T	27.1	Very low	29.2	Very low	103 Å²	103	132.6 Å²	132.6	63%	0.632	74%	0.739	S	S	*	*	S	Bend	trans	-129.6	149	169.5	25.6	0	0	0	0	108.6
62	F	29.4	Very low	29.3	Very low	190 Å²	190	127.7 Å²	127.7	83%	0.833	73%	0.726	S	S	*	*			trans	67.6	47.1	-162.7	-53.4	-79	0	0	0	114.6
63	K	26.2	Very low	29.3	Very low	190 Å²	190	126.1 Å²	126.1	83%	0.826	71%	0.711	S	S	*	*				-73.3	146.1	126.5	-75.9	-178.4	175.2	-179.3	0	107.1
64	D	27.1	Very low	29.3	Very low	139 Å²	139	127.6 Å²	127.6	74%	0.743	70%	0.704	S	S	*	*	S	Bend	trans	83	138.7	-176.2	-45.7	-30.7	0	0	0	115.1
65	E	29.9	Very low	29.5	Very low	192 Å²	192	125.9 Å²	125.9	90%	0.897	70%	0.696	S	S	*	*	S	Bend	trans	84.7	-14	170.7	-55.3	-165.7	137.7	0	0	123.2
66	S	29.1	Very low	29.5	Very low	75 Å²	75	124.3 Å²	124.3	52%	0.524	69%	0.69	S	S	.	*			trans	-100.3	9	-168.1	63.1	0	0	0	0	119.4	T70	S66-T70 PolarHBondContact O-OG1 3.11Å; S66-T70 VanDerWaalsContact O-OG1 3.08Å
67	S	30.9	Very low	29.9	Very low	94 Å²	94	122 Å²	122	66%	0.657	68%	0.679	S	S	*	*	H	α-helix	trans	-81.6	-17.2	-171.2	56.2	0	0	0	0	116.5	T70	S67-T70 PolarHBondContact O-OG1 2.7Å
68	S	30.6	Very low	30.8	Very low	69 Å²	69	118 Å²	118	48%	0.483	65%	0.651	S	S	.	*	H	α-helix	trans	-85.7	-38.3	179.2	55.7	0	0	0	0	113	T70 Q71 Q72	S68-T70 VanDerWaalsContact C-N 3.35Å; S68-T70 PolarHBondContact O-N 3.42Å; S68-Q71 PolarHBondContact O-N 2.97Å; S68-Q72 PolarHBondContact O-N 3.01Å
69	E	29.4	Very low	32	Very low	138 Å²	138	117.1 Å²	117.1	65%	0.645	65%	0.646	S	S	*	*	H	α-helix	trans	-69.1	-31.4	-179.4	-64.7	-168	146.8	0	0	112.6	Q72 T73	E69-Q72 PolarHBondContact O-N 3.13Å; E69-T73 WeakPolarHBondContact O-CB 3.35Å; E69-T73 WeakPolarHBondContact O-CG2 3.33Å; E69-T73 PolarHBondContact O-N 3.05Å; E69-T73 PolarHBondContact O-OG1 3.28Å
70	T	31.1	Very low	33.7	Very low	82 Å²	82	113.5 Å²	113.5	50%	0.503	61%	0.612	S	S	.	*	H	α-helix	trans	-68.1	-35.4	173	26.5	0	0	0	0	112.4	S66 S67 S68 T73 L74	S66-T70 PolarHBondContact O-OG1 3.11Å; S66-T70 VanDerWaalsContact O-OG1 3.08Å; S67-T70 PolarHBondContact O-OG1 2.7Å; S68-T70 VanDerWaalsContact C-N 3.35Å; S68-T70 PolarHBondContact O-N 3.42Å; T70-T73 WeakPolarHBondContact CA-OG1 3.47Å; T70-T73 PolarHBondContact O-OG1 3.05Å; T70-L74 WeakPolarHBondContact O-CD1 3.49Å; T70-L74 PolarHBondContact O-N 2.66Å
71	Q	31.2	Very low	35.6	Very low	152 Å²	152	105.6 Å²	105.6	71%	0.71	58%	0.577	S	S	*	*	H	α-helix	trans	-72.4	-39	173.3	-70.3	-175	-18	0	0	112.2	S68 L74 A75	S68-Q71 PolarHBondContact O-N 2.97Å; Q71-L74 PolarHBondContact O-N 2.83Å; Q71-A75 PolarHBondContact O-N 3.26Å
72	Q	30.5	Very low	37.7	Very low	128 Å²	128	101.8 Å²	101.8	60%	0.598	56%	0.555	S	S	*	*	H	α-helix	trans	-65.3	-40	174.2	-74.3	-179.1	-15.6	0	0	112.3	S68 E69 A75 M76	S68-Q72 PolarHBondContact O-N 3.01Å; E69-Q72 PolarHBondContact O-N 3.13Å; Q72-A75 PolarHBondContact O-N 3.03Å; Q72-M76 VanDerWaalsContact O-CG 3.29Å; Q72-M76 WeakPolarHBondContact O-CG 3.39Å; Q72-M76 PolarHBondContact O-N 2.98Å
73	T	29.1	Very low	39.8	Very low	83 Å²	83	92.9 Å²	92.9	51%	0.509	52%	0.517	S	S	.	.	H	α-helix	trans	-69.6	-34	175	45.5	0	0	0	0	113	E69 T70 A75 M76 A77	E69-T73 WeakPolarHBondContact O-CB 3.35Å; E69-T73 WeakPolarHBondContact O-CG2 3.33Å; E69-T73 PolarHBondContact O-N 3.05Å; E69-T73 PolarHBondContact O-OG1 3.28Å; T70-T73 WeakPolarHBondContact CA-OG1 3.47Å; T70-T73 PolarHBondContact O-OG1 3.05Å; T73-A75 VanDerWaalsContact C-N 3.35Å; T73-M76 PolarHBondContact O-N 3.27Å; T73-A77 PolarHBondContact O-N 3.22Å; T73-A77 VanDerWaalsContact O-N 3.1Å
74	L	30.4	Very low	42	Very low	132 Å²	132	87 Å²	87	69%	0.691	49%	0.492	S	S	*	.	H	α-helix	trans	-61.8	-40.2	168.5	-107.3	81.5	0	0	0	112.4	T70 Q71	T70-L74 WeakPolarHBondContact O-CD1 3.49Å; T70-L74 PolarHBondContact O-N 2.66Å; Q71-L74 PolarHBondContact O-N 2.83Å
75	A	34.3	Very low	44.1	Very low	59 Å²	59	81.6 Å²	81.6	49%	0.488	47%	0.466	S	S	.	.	H	α-helix	trans	-66.2	-44.8	175.4	0	0	0	0	0	111.6	Q71 Q72 T73 A77 S78	Q71-A75 PolarHBondContact O-N 3.26Å; Q72-A75 PolarHBondContact O-N 3.03Å; T73-A75 VanDerWaalsContact C-N 3.35Å; A75-A77 VanDerWaalsContact C-N 3.27Å; A75-A77 PolarHBondContact O-N 3.01Å; A75-S78 WeakPolarHBondContact O-CB 3.41Å; A75-S78 PolarHBondContact O-N 2.87Å; A75-S78 PolarHBondContact O-OG 3.06Å; A75-S78 VanDerWaalsContact O-OG 3.06Å
76	M	30.2	Very low	45.9	Very low	141 Å²	141	76.8 Å²	76.8	70%	0.695	45%	0.447	S	S	*	.	H	α-helix	trans	-67.2	-21.2	-179.6	-70.3	178.7	102	0	0	114.3	Q72 T73 S78	Q72-M76 VanDerWaalsContact O-CG 3.29Å; Q72-M76 WeakPolarHBondContact O-CG 3.39Å; Q72-M76 PolarHBondContact O-N 2.98Å; T73-M76 PolarHBondContact O-N 3.27Å; M76-S78 PolarHBondContact O-N 3.15Å
77	A	35.4	Very low	47.9	Very low	78 Å²	78	75.1 Å²	75.1	65%	0.645	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	3.7	172.8	0	0	0	0	0	114.2	T73 A75	T73-A77 PolarHBondContact O-N 3.22Å; T73-A77 VanDerWaalsContact O-N 3.1Å; A75-A77 VanDerWaalsContact C-N 3.27Å; A75-A77 PolarHBondContact O-N 3.01Å
78	S	49.1	Very low	50	Low	24 Å²	24	70.7 Å²	70.7	17%	0.168	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	3.8	-169.3	-53.1	0	0	0	0	115.9	A75 M76 E80 R1082 R1111	A75-S78 WeakPolarHBondContact O-CB 3.41Å; A75-S78 PolarHBondContact O-N 2.87Å; A75-S78 PolarHBondContact O-OG 3.06Å; A75-S78 VanDerWaalsContact O-OG 3.06Å; M76-S78 PolarHBondContact O-N 3.15Å; S78-E80 PolarHBondContact O-N 3.48Å; S78-R1082 PolarHBondContact O-NH2 2.95Å; S78-R1111 PolarHBondContact OG-NH1 3.27Å; S78-R1111 PolarHBondContact OG-NH2 3.35Å; S78-R1111 VanDerWaalsContact OG-NH2 3.11Å
79	V	53.3	Low	51.5	Low	99 Å²	99	68.6 Å²	68.6	60%	0.6	39%	0.388	S	S	*	.			trans	-78	104.8	-179.2	-175.2	0	0	0	0	110.1
80	E	65.9	Low	52.7	Low	21 Å²	21	65.7 Å²	65.7	10%	0.098	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-65.8	134.6	170.3	-60.2	-169.5	175.6	0	0	109.6	S78 L110 Y968 R1138	S78-E80 PolarHBondContact O-N 3.48Å; E80-L110 HydrophobicContact CG-CD2 4.05Å; E80-Y968 HydrophobicContact CB-CD1 3.77Å; E80-Y968 HydrophobicContact CB-CE1 4.44Å; E80-Y968 HydrophobicContact CB-CG 4.12Å; E80-R1138 IonicContact OE1-NH1 3.26Å; E80-R1138 IonicContact OE1-NH2 2.77Å; E80-R1138 IonicContact OE2-CZ 3.72Å; E80-R1138 IonicContact OE2-NH1 3.37Å; E80-R1138 PolarHBondContact OE2-NH1 3.08Å; E80-R1138 IonicContact OE2-NH2 3.89Å; E80-R1138 PolarHBondContact OE2-NH2 3.43Å
81	P	66.8	Low	53.4	Low	28 Å²	28	70.2 Å²	70.2	18%	0.182	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-69.6	140.5	-176	27.7	-33.9	0	0	0	111.6	D969	P81-D969 PolarHBondContact O-N 3.14Å
82	S	71.3	Confident	53.7	Low	23 Å²	23	68.7 Å²	68.7	16%	0.161	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-59.5	155.1	164.7	58.4	0	0	0	0	110.9	H84 T1000	S82-H84 PolarHBondContact O-N 2.9Å; S82-T1000 WeakPolarHBondContact CB-OG1 3.34Å; S82-T1000 PolarHBondContact OG-OG1 3.46Å
83	P	74.2	Confident	53.9	Low	4 Å²	4	72.4 Å²	72.4	3%	0.026	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-53.8	134.2	171.4	-24.6	34.4	0	0	0	112.7	W966 L1012	P83-W966 HydrophobicContact CB-CD2 4.02Å; P83-W966 HydrophobicContact CB-CE3 3.83Å; P83-W966 HydrophobicContact CB-CH2 3.62Å; P83-W966 HydrophobicContact CB-CZ2 3.8Å; P83-W966 HydrophobicContact CB-CZ3 3.63Å; P83-W966 HydrophobicContact CG-CD2 3.46Å; P83-W966 VanDerWaalsContact CG-CD2 3.46Å; P83-W966 HydrophobicContact CG-CE3 3.69Å; P83-W966 HydrophobicContact CG-CG 3.93Å; P83-W966 HydrophobicContact CG-CH2 4.17Å; P83-W966 HydrophobicContact CG-CZ2 3.95Å; P83-W966 HydrophobicContact CG-CZ3 4.04Å; P83-L1012 HydrophobicContact CB-CD2 4.3Å
84	H	72.6	Confident	53.9	Low	65 Å²	65	73.6 Å²	73.6	30%	0.301	42%	0.418	S	S	.	.			trans	-138.3	146.6	178.5	-163.6	-98.8	0	0	0	110.5	S82 D86 N87 Y88	S82-H84 PolarHBondContact O-N 2.9Å; H84-D86 IonicContact CE1-OD2 2.73Å; H84-D86 PolarHBondContact CE1-OD2 2.88Å; H84-D86 IonicContact ND1-OD2 3.67Å; H84-D86 PolarHBondContact ND1-OD2 3.15Å; H84-D86 VanDerWaalsContact ND1-OD2 3.15Å; H84-D86 PolarHBondContact O-N 3.4Å; H84-N87 PolarHBondContact O-N 3.4Å; H84-Y88 WeakPolarHBondContact O-CD2 3.34Å
85	A	70.8	Confident	54	Low	26 Å²	26	73.4 Å²	73.4	22%	0.215	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-61.3	-44	-171.6	0	0	0	0	0	113.3	N87 Y88 A89 L1015 Y1147	A85-N87 PolarHBondContact O-N 3.47Å; A85-N87 VanDerWaalsContact O-N 3.08Å; A85-Y88 WeakPolarHBondContact O-CB 3.43Å; A85-Y88 PolarHBondContact O-N 2.97Å; A85-A89 PolarHBondContact O-N 3.03Å; A85-L1015 HydrophobicContact CB-CD1 4.23Å; A85-Y1147 PolarHBondContact O-OH 2.65Å
86	D	68.3	Low	53.8	Low	91 Å²	91	76.1 Å²	76.1	49%	0.487	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-56.9	-29.5	-176.7	-52	-25.8	0	0	0	113.7	H84 Y88 A89	H84-D86 IonicContact CE1-OD2 2.73Å; H84-D86 PolarHBondContact CE1-OD2 2.88Å; H84-D86 IonicContact ND1-OD2 3.67Å; H84-D86 PolarHBondContact ND1-OD2 3.15Å; H84-D86 VanDerWaalsContact ND1-OD2 3.15Å; H84-D86 PolarHBondContact O-N 3.4Å; D86-Y88 PolarHBondContact O-N 3.34Å; D86-A89 PolarHBondContact O-N 3.48Å
87	N	70.1	Confident	53.7	Low	41 Å²	41	73.9 Å²	73.9	22%	0.219	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-69.1	-2.7	177.2	-64.7	-17.4	0	0	0	113.6	H84 A85 R104 D969 S1143	H84-N87 PolarHBondContact O-N 3.4Å; A85-N87 PolarHBondContact O-N 3.47Å; A85-N87 VanDerWaalsContact O-N 3.08Å; N87-R104 PolarHBondContact O-NH2 2.79Å; N87-D969 WeakPolarHBondContact CB-OD2 3.25Å; N87-D969 PolarHBondContact ND2-OD2 2.9Å; N87-S1143 PolarHBondContact O-OG 2.98Å; N87-S1143 VanDerWaalsContact O-OG 3.08Å
88	Y	75.4	Confident	53.6	Low	1 Å²	1	77.8 Å²	77.8	0%	0.004	45%	0.451	C	S	.	.	G	3₁₀ helix	trans	-125.9	-4.3	-177.9	-64.7	-87.3	0	0	0	113.8	H84 A85 D86 R104 W966 D969 G971 G972 F1019 L1145 T1146 Y1147	H84-Y88 WeakPolarHBondContact O-CD2 3.34Å; A85-Y88 WeakPolarHBondContact O-CB 3.43Å; A85-Y88 PolarHBondContact O-N 2.97Å; D86-Y88 PolarHBondContact O-N 3.34Å; Y88-R104 VanDerWaalsContact CZ-NH2 3.27Å; Y88-R104 PolarHBondContact OH-NH2 3.34Å; Y88-W966 HydrophobicContact CE2-CH2 4.28Å; Y88-W966 HydrophobicContact CE2-CZ2 4.34Å; Y88-W966 AromaticContact CZ-CZ2 3.99Å; Y88-W966 WeakPolarHBondContact OH-CZ2 3.43Å; Y88-D969 PolarHBondContact OH-OD1 3.44Å; Y88-G971 WeakPolarHBondContact CE1-O 3.33Å; Y88-G971 VanDerWaalsContact OH-CA 3.3Å; Y88-G971 WeakPolarHBondContact OH-CA 3.48Å; Y88-G971 PolarHBondContact OH-N 2.98Å; Y88-G972 PolarHBondContact OH-N 2.89Å; Y88-F1019 HydrophobicContact CD1-CE1 4.35Å; Y88-F1019 AromaticContact CD1-CZ 3.63Å; Y88-F1019 HydrophobicContact CD1-CZ 3.63Å; Y88-F1019 HydrophobicContact CD2-CZ 4.49Å; Y88-F1019 HydrophobicContact CE1-CZ 4.38Å; Y88-F1019 HydrophobicContact CG-CE1 4.49Å; Y88-F1019 AromaticContact CG-CZ 3.7Å; Y88-F1019 HydrophobicContact CG-CZ 3.7Å; Y88-L1145 HydrophobicContact CD1-CB 4.35Å; Y88-L1145 WeakPolarHBondContact CD1-O 3.44Å; Y88-T1146 WeakPolarHBondContact O-CA 3.32Å; Y88-Y1147 WeakPolarHBondContact O-CD1 3.42Å; Y88-Y1147 PolarHBondContact O-N 2.87Å
89	A	61.2	Low	52.6	Low	24 Å²	24	81.6 Å²	81.6	20%	0.198	48%	0.476	C	S	.	.	B	Isolated β-bridge	trans	-76.6	133	172.8	0	0	0	0	0	110.6	A85 D86 E91 Y1147	A85-A89 PolarHBondContact O-N 3.03Å; D86-A89 PolarHBondContact O-N 3.48Å; A89-E91 VanDerWaalsContact C-N 3.32Å; A89-E91 PolarHBondContact O-N 3.02Å; A89-Y1147 HydrophobicContact CB-CE1 4.47Å
90	N	54.5	Low	51.6	Low	77 Å²	77	83.2 Å²	83.2	41%	0.412	49%	0.486	S	S	.	.			trans	-80.6	75.8	173.1	-79.1	-54	0	0	0	110.7	T92 T1146 Y1147	N90-T92 PolarHBondContact O-N 3.09Å; N90-T1146 VanDerWaalsContact ND2-CB 3.33Å; N90-T1146 WeakPolarHBondContact ND2-CB 3.31Å; N90-T1146 PolarHBondContact ND2-OG1 2.66Å; N90-T1146 WeakPolarHBondContact OD1-CG2 3.44Å; N90-Y1147 PolarHBondContact ND2-O 2.98Å
91	E	46	Very low	50.2	Low	178 Å²	178	88.3 Å²	88.3	83%	0.832	51%	0.513	S	S	*	.			trans	-73.3	119.1	167.2	-68.7	-158.1	150	0	0	110.8	A89 E93	A89-E91 VanDerWaalsContact C-N 3.32Å; A89-E91 PolarHBondContact O-N 3.02Å; E91-E93 PolarHBondContact O-N 3.14Å
92	T	38.7	Very low	49.4	Very low	119 Å²	119	96 Å²	96	73%	0.73	54%	0.538	S	S	*	.			trans	-67.5	127.6	170.6	43.9	0	0	0	0	110.2	N90 T94	N90-T92 PolarHBondContact O-N 3.09Å; T92-T94 VanDerWaalsContact C-N 3.25Å; T92-T94 PolarHBondContact O-N 3.1Å; T92-T94 PolarHBondContact O-OG1 2.96Å
93	E	34.2	Very low	48.7	Very low	206 Å²	206	100.8 Å²	100.8	96%	0.963	57%	0.567	S	S	*	*	S	Bend	trans	-48	59.9	-171	-57.7	177.4	129.2	0	0	117.3	E91	E91-E93 PolarHBondContact O-N 3.14Å
94	T	29.8	Very low	48.4	Very low	109 Å²	109	102.6 Å²	102.6	67%	0.669	57%	0.573	S	S	*	*			trans	-149.3	41.5	-163.5	5.1	0	0	0	0	116.2	T92	T92-T94 VanDerWaalsContact C-N 3.25Å; T92-T94 PolarHBondContact O-N 3.1Å; T92-T94 PolarHBondContact O-OG1 2.96Å
95	T	31	Very low	48.2	Very low	128 Å²	128	100.8 Å²	100.8	79%	0.785	57%	0.567	S	S	*	*			trans	-165.5	105.3	146.6	17.6	0	0	0	0	112.7	S97	T95-S97 PolarHBondContact O-N 3.02Å; T95-S97 VanDerWaalsContact O-N 3.14Å
96	A	30.3	Very low	48.2	Very low	116 Å²	116	102.2 Å²	102.2	96%	0.959	58%	0.576	S	S	*	*			trans	-84.3	74.2	172.4	0	0	0	0	0	111.6
97	S	29.3	Very low	48.5	Very low	94 Å²	94	98.3 Å²	98.3	66%	0.657	56%	0.555	S	S	*	*			trans	-164.5	49.7	175.2	63.7	0	0	0	0	116.9	T95	T95-S97 PolarHBondContact O-N 3.02Å; T95-S97 VanDerWaalsContact O-N 3.14Å
98	I	32.2	Very low	48.5	Very low	159 Å²	159	100.5 Å²	100.5	82%	0.815	57%	0.57	S	S	*	*			trans	-136.8	109.2	158.6	-54.5	-179.9	0	0	0	109.3
99	P	29.7	Very low	48.2	Very low	105 Å²	105	105.8 Å²	105.8	68%	0.682	60%	0.596	S	S	*	*			trans	-80.8	155.7	164.8	33.4	-30.8	0	0	0	110.6
100	T	31	Very low	48.7	Very low	133 Å²	133	105.6 Å²	105.6	82%	0.816	59%	0.592	S	S	*	*			trans	88.2	49.5	172.6	80.2	0	0	0	0	120.2
101	L	37.6	Very low	49.7	Very low	127 Å²	127	102.3 Å²	102.3	67%	0.665	57%	0.574	S	S	*	*	S	Bend	trans	-135	147.5	143.6	-98	108.2	0	0	0	110.6	T103	L101-T103 PolarHBondContact O-N 3.17Å
102	R	49.9	Very low	50.7	Low	189 Å²	189	96.4 Å²	96.4	71%	0.713	55%	0.552	S	S	*	*			trans	-75.3	107.8	-176.7	-73.2	-177.4	177.8	176.3	0.1	110.5
103	T	56.8	Low	51.5	Low	124 Å²	124	94.7 Å²	94.7	76%	0.761	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-67.3	148.5	174.4	47.8	0	0	0	0	112.1	L101	L101-T103 PolarHBondContact O-N 3.17Å
104	R	67.5	Low	52	Low	42 Å²	42	89.6 Å²	89.6	16%	0.158	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-60.9	124.5	178.6	-174.2	-168	-68.5	149.2	1.4	110.8	N87 Y88 D969 Q1141 S1143	N87-R104 PolarHBondContact O-NH2 2.79Å; Y88-R104 VanDerWaalsContact CZ-NH2 3.27Å; Y88-R104 PolarHBondContact OH-NH2 3.34Å; R104-D969 IonicContact CZ-OD1 3.82Å; R104-D969 IonicContact CZ-OD2 3.81Å; R104-D969 VanDerWaalsContact CZ-OD2 3.26Å; R104-D969 VanDerWaalsContact NE-CG 3.29Å; R104-D969 IonicContact NE-OD1 3.34Å; R104-D969 PolarHBondContact NE-OD1 2.99Å; R104-D969 IonicContact NE-OD2 2.67Å; R104-D969 PolarHBondContact NE-OD2 3.46Å; R104-D969 VanDerWaalsContact NH2-CG 3.33Å; R104-D969 IonicContact NH2-OD1 3.26Å; R104-D969 PolarHBondContact NH2-OD1 3.42Å; R104-D969 IonicContact NH2-OD2 3.97Å; R104-D969 PolarHBondContact NH2-OD2 3.5Å; R104-Q1141 VanDerWaalsContact CD-O 3.27Å; R104-Q1141 WeakPolarHBondContact CD-O 3.5Å; R104-Q1141 HydrophobicContact CG-CB 4.48Å; R104-Q1141 PolarHBondContact NH1-O 3.39Å; R104-S1143 PolarHBondContact NH1-OG 2.87Å
105	P	67.3	Low	52.3	Low	27 Å²	27	92.1 Å²	92.1	18%	0.175	53%	0.532	C	S	.	.	P	Polyproline II helix	trans	-69.7	149.8	176	28.8	-34.5	0	0	0	111.6	M109 L110 Q1141	P105-M109 HydrophobicContact CB-SD 4.29Å; P105-L110 HydrophobicContact CB-CD2 4.21Å; P105-L110 HydrophobicContact CB-CG 4.26Å; P105-L110 HydrophobicContact CG-CD1 4.27Å; P105-L110 HydrophobicContact CG-CD2 3.82Å; P105-L110 HydrophobicContact CG-CG 4.1Å; P105-Q1141 WeakPolarHBondContact O-CG 3.31Å
106	S	70.8	Confident	52.2	Low	56 Å²	56	91.4 Å²	91.4	39%	0.392	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-72.3	154.1	174.4	69.8	0	0	0	0	111.4	T108 M109 L110	S106-T108 PolarHBondContact O-N 3.12Å; S106-T108 PolarHBondContact OG-OG1 2.69Å; S106-T108 VanDerWaalsContact OG-OG1 3.04Å; S106-M109 WeakPolarHBondContact O-CB 3.31Å; S106-M109 PolarHBondContact O-N 3.06Å; S106-M109 VanDerWaalsContact O-N 3.08Å; S106-M109 WeakPolarHBondContact OG-CB 3.14Å; S106-M109 PolarHBondContact OG-N 3.06Å; S106-L110 PolarHBondContact O-N 3.41Å; S106-L110 VanDerWaalsContact O-N 3.13Å
107	L	74.4	Confident	52.1	Low	9 Å²	9	94.8 Å²	94.8	5%	0.047	52%	0.523	C	S	.	.	H	α-helix	trans	-57.5	-39.2	177.2	-173.5	68.8	0	0	0	112.1	M109 L110 H111 F767 N1140 Q1141	L107-M109 PolarHBondContact O-N 3.02Å; L107-L110 PolarHBondContact O-N 2.75Å; L107-H111 VanDerWaalsContact O-CB 3.29Å; L107-H111 WeakPolarHBondContact O-CB 3.31Å; L107-H111 PolarHBondContact O-N 3.1Å; L107-H111 VanDerWaalsContact O-N 3.13Å; L107-F767 HydrophobicContact CD1-CD1 3.83Å; L107-F767 HydrophobicContact CD1-CE1 4.31Å; L107-F767 HydrophobicContact CD2-CB 4.36Å; L107-F767 HydrophobicContact CD2-CD1 4.12Å; L107-F767 WeakPolarHBondContact CD2-O 3.39Å; L107-F767 HydrophobicContact CG-CD1 4.36Å; L107-N1140 HydrophobicContact CD2-CB 4.28Å; L107-Q1141 HydrophobicContact CB-CG 4.1Å
108	T	70.8	Confident	52	Low	88 Å²	88	96.4 Å²	96.4	54%	0.54	52%	0.523	S	S	.	.	H	α-helix	trans	-62.9	-40.7	176.4	51.1	0	0	0	0	112	S106 L110 H111 S112	S106-T108 PolarHBondContact O-N 3.12Å; S106-T108 PolarHBondContact OG-OG1 2.69Å; S106-T108 VanDerWaalsContact OG-OG1 3.04Å; T108-L110 VanDerWaalsContact C-N 3.32Å; T108-L110 PolarHBondContact O-N 3.49Å; T108-H111 PolarHBondContact O-N 2.95Å; T108-S112 WeakPolarHBondContact O-CB 3.48Å; T108-S112 PolarHBondContact O-N 3.35Å; T108-S112 PolarHBondContact O-OG 3.16Å
109	M	70.2	Confident	51.9	Low	112 Å²	112	96.3 Å²	96.3	55%	0.552	52%	0.524	S	S	*	.	H	α-helix	trans	-67.1	-31.3	177.7	-173.9	178.5	-179.6	0	0	112.7	P105 S106 L107 M115	P105-M109 HydrophobicContact CB-SD 4.29Å; S106-M109 WeakPolarHBondContact O-CB 3.31Å; S106-M109 PolarHBondContact O-N 3.06Å; S106-M109 VanDerWaalsContact O-N 3.08Å; S106-M109 WeakPolarHBondContact OG-CB 3.14Å; S106-M109 PolarHBondContact OG-N 3.06Å; L107-M109 PolarHBondContact O-N 3.02Å; M109-M115 HydrophobicContact CE-CE 4.39Å
110	L	71.3	Confident	51.7	Low	20 Å²	20	99.7 Å²	99.7	11%	0.105	53%	0.533	C	S	.	.	H	α-helix	trans	-73.8	-27.8	174.4	-67.9	173.8	0	0	0	113.2	E80 P105 S106 L107 T108 Q1141	E80-L110 HydrophobicContact CG-CD2 4.05Å; P105-L110 HydrophobicContact CB-CD2 4.21Å; P105-L110 HydrophobicContact CB-CG 4.26Å; P105-L110 HydrophobicContact CG-CD1 4.27Å; P105-L110 HydrophobicContact CG-CD2 3.82Å; P105-L110 HydrophobicContact CG-CG 4.1Å; S106-L110 PolarHBondContact O-N 3.41Å; S106-L110 VanDerWaalsContact O-N 3.13Å; L107-L110 PolarHBondContact O-N 2.75Å; T108-L110 VanDerWaalsContact C-N 3.32Å; T108-L110 PolarHBondContact O-N 3.49Å; L110-Q1141 HydrophobicContact CD1-CG 4.46Å
111	H	75.9	Confident	51.6	Low	7 Å²	7	97 Å²	97	3%	0.032	53%	0.531	C	S	.	.	H	α-helix	trans	-101	-28	-170.2	-167.9	-125.8	0	0	0	113.9	L107 T108 H764 F767 D768 P1110 K1112	L107-H111 VanDerWaalsContact O-CB 3.29Å; L107-H111 WeakPolarHBondContact O-CB 3.31Å; L107-H111 PolarHBondContact O-N 3.1Å; L107-H111 VanDerWaalsContact O-N 3.13Å; T108-H111 PolarHBondContact O-N 2.95Å; H111-H764 AromaticContact CD2-ND1 3.83Å; H111-H764 VanDerWaalsContact NE2-C 3.33Å; H111-H764 WeakPolarHBondContact NE2-CA 3.4Å; H111-H764 AromaticContact NE2-CG 3.98Å; H111-H764 AromaticContact NE2-ND1 3.55Å; H111-H764 PolarHBondContact NE2-O 3.11Å; H111-F767 AromaticContact CD2-CD2 3.97Å; H111-D768 IonicContact CE1-OD1 2.97Å; H111-D768 PolarHBondContact CE1-OD1 3.46Å; H111-D768 IonicContact ND1-OD1 3.18Å; H111-D768 PolarHBondContact ND1-OD1 3.15Å; H111-D768 VanDerWaalsContact ND1-OD1 3.08Å; H111-D768 IonicContact NE2-OD1 3.15Å; H111-D768 PolarHBondContact NE2-OD1 3.29Å; H111-D768 IonicContact NE2-OD2 3Å; H111-D768 PolarHBondContact NE2-OD2 2.91Å; H111-P1110 PolarHBondContact CD2-O 3.16Å; H111-P1110 VanDerWaalsContact CD2-O 3.25Å; H111-K1112 WeakPolarHBondContact NE2-CE 3.4Å; H111-K1112 PolarHBondContact O-N 2.97Å
112	S	66.8	Low	51.4	Low	55 Å²	55	96.5 Å²	96.5	39%	0.385	54%	0.535	S	S	.	.			trans	-74.5	155.8	-172.1	62.5	0	0	0	0	115.2	T108	T108-S112 WeakPolarHBondContact O-CB 3.48Å; T108-S112 PolarHBondContact O-N 3.35Å; T108-S112 PolarHBondContact O-OG 3.16Å
113	D	53.8	Low	50.3	Low	83 Å²	83	96.6 Å²	96.6	44%	0.444	54%	0.544	S	S	.	.	S	Bend	trans	-80.6	-13.5	-173.6	-154.1	16.5	0	0	0	114.2	K1113	D113-K1113 WeakPolarHBondContact OD2-CD 3.44Å; D113-K1113 WeakPolarHBondContact OD2-CE 3.44Å; D113-K1113 IonicContact OD2-NZ 3.4Å; D113-K1113 PolarHBondContact OD2-NZ 2.73Å
114	S	46	Very low	48.9	Very low	98 Å²	98	94.4 Å²	94.4	69%	0.685	54%	0.538	S	S	*	.	S	Bend	trans	-163	150.9	-176.8	-78.4	0	0	0	0	113.9	V116	S114-V116 PolarHBondContact O-N 3.46Å
115	M	34.9	Very low	47	Very low	163 Å²	163	101.3 Å²	101.3	80%	0.803	57%	0.569	S	S	*	*			trans	-69.8	109.6	170.8	-82.3	-171.6	-179.8	0	0	111.6	M109	M109-M115 HydrophobicContact CE-CE 4.39Å
116	V	29.7	Very low	45.2	Very low	113 Å²	113	105.5 Å²	105.5	69%	0.685	59%	0.59	S	S	*	*			trans	22.7	103.5	150.6	-168.3	0	0	0	0	117.4	S114 I118	S114-V116 PolarHBondContact O-N 3.46Å; V116-I118 HydrophobicContact CG1-CD1 3.79Å; V116-I118 HydrophobicContact CG1-CG1 3.67Å
117	H	28	Very low	43.1	Very low	186 Å²	186	108.6 Å²	108.6	86%	0.861	60%	0.603	S	S	*	*			trans	-110.2	115.5	141.5	-104.4	-88.1	0	0	0	109.1
118	I	27	Very low	41	Very low	129 Å²	129	115.7 Å²	115.7	66%	0.662	64%	0.64	S	S	*	*			trans	-91	123	169.6	-68.2	157.3	0	0	0	106.9	V116	V116-I118 HydrophobicContact CG1-CD1 3.79Å; V116-I118 HydrophobicContact CG1-CG1 3.67Å
119	D	30	Very low	38.9	Very low	156 Å²	156	117.9 Å²	117.9	83%	0.834	65%	0.649	S	S	*	*			trans	-132.8	133.8	156.6	-106.8	-40.8	0	0	0	110.5
120	M	27	Very low	36.9	Very low	177 Å²	177	124.5 Å²	124.5	87%	0.872	67%	0.668	S	S	*	*			trans	-115.3	123.3	175.5	-75.1	-169.1	-77.4	0	0	108.6
121	G	28.3	Very low	34.8	Very low	76 Å²	76	130.1 Å²	130.1	78%	0.784	70%	0.698	S	S	*	*			trans	-176.7	127.5	174.3	0	0	0	0	0	113.4
122	P	32.3	Very low	32.5	Very low	116 Å²	116	137.9 Å²	137.9	75%	0.753	74%	0.74	S	S	*	*			trans	-111.5	166.2	-169.4	40.6	-33.6	0	0	0	114.3
123	Q	27.2	Very low	30.5	Very low	192 Å²	192	140.1 Å²	140.1	90%	0.897	76%	0.755	S	S	*	*			trans	144.1	161.3	149.7	-82.7	168.2	22.3	0	0	110.5
124	A	28.2	Very low	29.1	Very low	77 Å²	77	146.9 Å²	146.9	64%	0.636	78%	0.781	S	S	*	*			cis	178.4	153.6	-36.7	0	0	0	0	0	107.8
125	K	27.4	Very low	28.3	Very low	187 Å²	187	145 Å²	145	81%	0.813	78%	0.778	S	S	*	*			trans	67.4	162.8	165.5	-61.3	-165.8	174.3	-174.8	0	116.1
126	N	28.6	Very low	27.7	Very low	115 Å²	115	143.7 Å²	143.7	62%	0.615	78%	0.784	S	S	*	*			cis	-165.6	167.3	-17.6	-103.5	26.5	0	0	0	105.2
127	D	28.3	Very low	27.6	Very low	122 Å²	122	143 Å²	143	65%	0.652	79%	0.79	S	S	*	*			cis	-152.7	166.2	-4.5	-97.7	-36.8	0	0	0	106.8
128	D	30.5	Very low	27.5	Very low	157 Å²	157	141 Å²	141	84%	0.84	79%	0.786	S	S	*	*				163.8	140.6	115.6	-102.2	-33.9	0	0	0	115.1
129	N	26.1	Very low	27.6	Very low	134 Å²	134	143.4 Å²	143.4	72%	0.717	79%	0.794	S	S	*	*			trans	-89.8	162	-175.5	-56.3	-73.3	0	0	0	112.7
130	R	28.6	Very low	27.3	Very low	252 Å²	252	143 Å²	143	95%	0.951	79%	0.792	S	S	*	*				-161.2	119.9	129	-105.6	155.8	-152.9	-159.8	5.4	111.8
131	D	25.6	Very low	27.4	Very low	138 Å²	138	145.4 Å²	145.4	74%	0.738	79%	0.791	S	S	*	*			trans	-65	155.6	163	-54.7	-78.5	0	0	0	110.5
132	D	27.8	Very low	27.4	Very low	170 Å²	170	148.2 Å²	148.2	91%	0.909	79%	0.794	S	S	*	*				-163.6	153.5	112.1	-110.8	-31.8	0	0	0	112.3
133	S	24.7	Very low	27.2	Very low	102 Å²	102	151.6 Å²	151.6	71%	0.713	80%	0.8	S	S	*	*			trans	-131.5	122.4	-172.8	59.3	0	0	0	0	111.4
134	F	26	Very low	27.2	Very low	225 Å²	225	152 Å²	152	99%	0.987	80%	0.798	S	S	*	*			trans	-171.8	147.8	165.4	-121.5	-92.9	0	0	0	107.5
135	G	27.3	Very low	27.1	Very low	59 Å²	59	158.4 Å²	158.4	61%	0.608	81%	0.812	S	S	*	*			cis	-170.5	156.6	-7.7	0	0	0	0	0	109.6
136	S	23.3	Very low	27.2	Very low	135 Å²	135	155.1 Å²	155.1	94%	0.944	81%	0.807	S	S	*	*			trans	-72.2	130.7	179.3	-46.9	0	0	0	0	111.3
137	A	27.6	Very low	27.2	Very low	97 Å²	97	158.7 Å²	158.7	80%	0.802	82%	0.817	S	S	*	*			trans	-145.1	125.6	166.7	0	0	0	0	0	112.1
138	D	25.8	Very low	27.4	Very low	144 Å²	144	158.6 Å²	158.6	77%	0.77	82%	0.823	S	S	*	*			trans	-49.6	141.4	179.1	-64.8	-64.2	0	0	0	115.4
139	Q	28.8	Very low	28.3	Very low	180 Å²	180	157.3 Å²	157.3	84%	0.841	81%	0.812	S	S	*	*			trans	-128.9	87.4	144.4	-72.5	-161.7	5	0	0	111	R141	Q139-R141 PolarHBondContact O-N 3.44Å; Q139-R141 VanDerWaalsContact O-N 3.15Å
140	N	24.6	Very low	29.8	Very low	149 Å²	149	157.5 Å²	157.5	80%	0.797	82%	0.817	S	S	*	*			trans	-56.7	111.7	157.5	-82.9	-56.8	0	0	0	109.5
141	R	29.1	Very low	31.8	Very low	226 Å²	226	150.8 Å²	150.8	85%	0.853	80%	0.795	S	S	*	*			trans	-113.7	107	158.4	-96	-175.4	170.7	-177.4	-1.4	110.6	Q139 E143	Q139-R141 PolarHBondContact O-N 3.44Å; Q139-R141 VanDerWaalsContact O-N 3.15Å; R141-E143 PolarHBondContact O-N 3.21Å
142	T	27	Very low	34.1	Very low	135 Å²	135	145.3 Å²	145.3	83%	0.828	77%	0.766	S	S	*	*			trans	-53.9	104.2	174.9	36.3	0	0	0	0	112.8
143	E	28.6	Very low	36.8	Very low	188 Å²	188	138.9 Å²	138.9	88%	0.879	74%	0.74	S	S	*	*			trans	-74.8	143.2	156.9	-71.7	-162.7	143.7	0	0	110.6	R141	R141-E143 PolarHBondContact O-N 3.21Å
144	K	27.7	Very low	39.9	Very low	200 Å²	200	138.6 Å²	138.6	87%	0.87	72%	0.723	S	S	*	*			trans	-62.4	135	-164.1	-70.9	168.2	176.6	170.7	0	112	V146	K144-V146 VanDerWaalsContact C-N 3.33Å; K144-V146 PolarHBondContact O-N 3.3Å
145	K	24.9	Very low	42.8	Very low	211 Å²	211	132 Å²	132	92%	0.917	70%	0.697	S	S	*	*			trans	-59.7	90.6	167.1	-73	-179.7	177.9	175.5	0	110.5
146	V	30.6	Very low	45.3	Very low	119 Å²	119	133.7 Å²	133.7	72%	0.721	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-59.5	138.1	152.7	-179	0	0	0	0	106.8	K144	K144-V146 VanDerWaalsContact C-N 3.33Å; K144-V146 PolarHBondContact O-N 3.3Å
147	K	27.9	Very low	48	Very low	189 Å²	189	127.2 Å²	127.2	82%	0.822	64%	0.644	S	S	*	*	P	Polyproline II helix	trans	-51.3	127.7	-179.7	-69.3	-179	179	179.5	0	108.9	H149	K147-H149 PolarHBondContact O-N 3.05Å; K147-H149 VanDerWaalsContact O-N 3.09Å
148	P	33.8	Very low	50.9	Low	120 Å²	120	122.6 Å²	122.6	78%	0.779	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-65.1	117.9	-175.1	25.6	-33.2	0	0	0	109.3	V150	P148-V150 PolarHBondContact O-N 3.37Å
149	H	48.7	Very low	53.9	Low	131 Å²	131	116.9 Å²	116.9	61%	0.606	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-55.9	133.8	164.1	-77	-100.2	0	0	0	108.4	K147 K151	K147-H149 PolarHBondContact O-N 3.05Å; K147-H149 VanDerWaalsContact O-N 3.09Å; H149-K151 PolarHBondContact O-N 3.19Å
150	V	57.8	Low	56.7	Low	137 Å²	137	109.5 Å²	109.5	83%	0.83	54%	0.541	S	S	*	.			trans	-68.5	100.3	176.6	-179.8	0	0	0	0	107.7	P148	P148-V150 PolarHBondContact O-N 3.37Å
151	K	69.5	Low	59.5	Low	112 Å²	112	102.8 Å²	102.8	49%	0.487	51%	0.505	S	S	.	.	P	Polyproline II helix	trans	-83.7	132	-178.6	-70.7	-170.5	164.1	-146.3	0	111.3	H149 D378 L379 K380	H149-K151 PolarHBondContact O-N 3.19Å; K151-D378 CarbonylContact C-O 3.55Å; K151-D378 VanDerWaalsContact CA-O 3.23Å; K151-D378 WeakPolarHBondContact CA-O 3.45Å; K151-L379 WeakPolarHBondContact CD-O 3.31Å; K151-L379 PolarHBondContact NZ-O 2.85Å; K151-K380 HydrophobicContact CB-CB 4.06Å
152	L	75.4	Confident	62.4	Low	22 Å²	22	92 Å²	92	12%	0.115	46%	0.464	C	S	.	.	B	Isolated β-bridge	trans	-70.6	148.7	-175.7	-58.4	169.5	0	0	0	112.1	E156 D378 L379 K380	L152-E156 VanDerWaalsContact CD2-CD 3.49Å; L152-E156 HydrophobicContact CD2-CG 4.1Å; L152-D378 HydrophobicContact CD1-CB 4.25Å; L152-D378 PolarHBondContact N-O 2.88Å; L152-L379 HydrophobicContact CB-CD2 4.28Å; L152-K380 PolarHBondContact O-N 3.33Å
153	G	84.2	Confident	65.3	Low	35 Å²	35	86.5 Å²	86.5	36%	0.361	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-73.8	172.9	170.4	0	0	0	0	0	112.7	I155 G157	G153-I155 VanDerWaalsContact C-N 3.34Å; G153-G157 WeakPolarHBondContact O-CA 3.22Å; G153-G157 PolarHBondContact O-N 3.41Å
154	W	88.6	Confident	68.1	Low	96 Å²	96	77.8 Å²	77.8	36%	0.364	39%	0.39	S	S	.	.	H	α-helix	trans	-70.8	-29.8	177.3	72	-88.5	0	0	0	113.2	V158 L159 A385 K388 L392	W154-V158 WeakPolarHBondContact O-CB 3.35Å; W154-V158 PolarHBondContact O-N 3.48Å; W154-L159 HydrophobicContact CE3-CB 4.43Å; W154-L159 HydrophobicContact CH2-CD2 4.42Å; W154-L159 HydrophobicContact CZ3-CB 4.34Å; W154-L159 HydrophobicContact CZ3-CD2 3.97Å; W154-L159 PolarHBondContact O-N 3.4Å; W154-A385 HydrophobicContact CB-CB 3.49Å; W154-A385 VanDerWaalsContact CB-CB 3.49Å; W154-K388 HydrophobicContact CE3-CB 4.14Å; W154-K388 HydrophobicContact CZ3-CB 4.45Å; W154-L392 HydrophobicContact CH2-CD2 4.11Å; W154-L392 HydrophobicContact CZ3-CD2 4.05Å
155	I	87.4	Confident	70.9	Confident	87 Å²	87	69.2 Å²	69.2	45%	0.446	36%	0.356	S	S	.	.	I	π-helix	trans	-68.8	-63	176.7	-58	176.5	0	0	0	109.4	G153 L159 I160	G153-I155 VanDerWaalsContact C-N 3.34Å; I155-L159 HydrophobicContact CG2-CD2 4.46Å; I155-L159 WeakPolarHBondContact O-CB 3.24Å; I155-L159 PolarHBondContact O-N 3.35Å; I155-I160 HydrophobicContact CG2-CD1 4.07Å; I155-I160 HydrophobicContact CG2-CG1 4.24Å; I155-I160 WeakPolarHBondContact O-CG1 3.38Å; I155-I160 PolarHBondContact O-N 3.18Å
156	E	80.5	Confident	73.9	Confident	94 Å²	94	59.4 Å²	59.4	44%	0.439	31%	0.314	S	S	.	.	I	π-helix	trans	-62.6	-46.5	-179.1	-172.7	-174.7	-170.9	0	0	112.9	L152	L152-E156 VanDerWaalsContact CD2-CD 3.49Å; L152-E156 HydrophobicContact CD2-CG 4.1Å
157	G	79.4	Confident	76.7	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.281	C	S	.	.	I	π-helix	trans	-81.8	-26.3	-171.9	0	0	0	0	0	115.3	G153	G153-G157 WeakPolarHBondContact O-CA 3.22Å; G153-G157 PolarHBondContact O-N 3.41Å
158	V	88.1	Confident	79.3	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.246	C	C	.	.	I	π-helix	trans	-123.5	-63	-176.9	-170.8	0	0	0	0	112.2	W154 I160 R161 S162 L379 A385 I386	W154-V158 WeakPolarHBondContact O-CB 3.35Å; W154-V158 PolarHBondContact O-N 3.48Å; V158-I160 PolarHBondContact O-N 3.45Å; V158-R161 PolarHBondContact O-N 3.43Å; V158-S162 WeakPolarHBondContact O-CB 3.4Å; V158-S162 PolarHBondContact O-N 3.02Å; V158-S162 PolarHBondContact O-OG 3.29Å; V158-L379 HydrophobicContact CG2-CD1 3.48Å; V158-L379 VanDerWaalsContact CG2-CD1 3.48Å; V158-L379 HydrophobicContact CG2-CD2 3.79Å; V158-L379 HydrophobicContact CG2-CG 4.31Å; V158-A385 HydrophobicContact CG2-CB 4.26Å; V158-I386 HydrophobicContact CG2-CG1 4.32Å
159	L	89.8	Confident	81.9	Confident	24 Å²	24	40.2 Å²	40.2	13%	0.126	21%	0.211	C	C	.	.	I	π-helix	trans	-56.2	-54.2	-171.5	-179.6	66.1	0	0	0	111.7	W154 I155 R161 S162 S163 G389 L392	W154-L159 HydrophobicContact CE3-CB 4.43Å; W154-L159 HydrophobicContact CH2-CD2 4.42Å; W154-L159 HydrophobicContact CZ3-CB 4.34Å; W154-L159 HydrophobicContact CZ3-CD2 3.97Å; W154-L159 PolarHBondContact O-N 3.4Å; I155-L159 HydrophobicContact CG2-CD2 4.46Å; I155-L159 WeakPolarHBondContact O-CB 3.24Å; I155-L159 PolarHBondContact O-N 3.35Å; L159-R161 PolarHBondContact O-N 3.45Å; L159-S162 PolarHBondContact O-N 2.99Å; L159-S163 WeakPolarHBondContact O-CB 3.25Å; L159-S163 PolarHBondContact O-N 3.42Å; L159-S163 PolarHBondContact O-OG 3.3Å; L159-G389 WeakPolarHBondContact CD1-O 3.39Å; L159-L392 HydrophobicContact CD1-CB 4.07Å; L159-L392 HydrophobicContact CD1-CD2 4.11Å; L159-L392 HydrophobicContact CD1-CG 4.05Å; L159-L392 HydrophobicContact CD2-CD2 4.13Å
160	I	86.2	Confident	83.8	Confident	25 Å²	25	34.6 Å²	34.6	13%	0.128	19%	0.185	C	C	.	.	H	α-helix	trans	-59.7	-47.8	-179.1	-71.5	-178.8	0	0	0	110.8	I155 V158 S163 L164 L304 M307	I155-I160 HydrophobicContact CG2-CD1 4.07Å; I155-I160 HydrophobicContact CG2-CG1 4.24Å; I155-I160 WeakPolarHBondContact O-CG1 3.38Å; I155-I160 PolarHBondContact O-N 3.18Å; V158-I160 PolarHBondContact O-N 3.45Å; I160-S163 PolarHBondContact O-N 2.9Å; I160-L164 HydrophobicContact CG2-CD1 3.9Å; I160-L164 HydrophobicContact CG2-CG 4.4Å; I160-L164 WeakPolarHBondContact O-CB 3.45Å; I160-L164 WeakPolarHBondContact O-CG 3.46Å; I160-L164 PolarHBondContact O-N 3.26Å; I160-L304 HydrophobicContact CD1-CD1 4.16Å; I160-M307 HydrophobicContact CB-SD 4.03Å; I160-M307 HydrophobicContact CD1-CE 3.89Å; I160-M307 HydrophobicContact CD1-SD 3.63Å; I160-M307 HydrophobicContact CG1-CE 4.44Å; I160-M307 HydrophobicContact CG1-SD 3.54Å; I160-M307 VanDerWaalsContact CG1-SD 3.54Å; I160-M307 HydrophobicContact CG2-CG 4.38Å; I160-M307 HydrophobicContact CG2-SD 3.5Å; I160-M307 WeakPolarHBondContact CG2-SD 3.46Å
161	R	85.4	Confident	85.4	Confident	8 Å²	8	28.1 Å²	28.1	3%	0.03	15%	0.146	C	C	.	.	H	α-helix	trans	-66.7	-42	-178.7	-70.6	-166.2	171.6	136.2	-14.1	113.7	V158 L159 S163 S165 E299	V158-R161 PolarHBondContact O-N 3.43Å; L159-R161 PolarHBondContact O-N 3.45Å; R161-S163 VanDerWaalsContact C-N 3.33Å; R161-S165 VanDerWaalsContact O-CB 3.31Å; R161-S165 WeakPolarHBondContact O-CB 3.33Å; R161-S165 PolarHBondContact O-N 2.74Å; R161-E299 IonicContact NH2-OE2 2.73Å
162	S	88.6	Confident	86.5	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.7	-37.3	174.9	-71.1	0	0	0	0	111.2	V158 L159 V166 F369 G372 S393	V158-S162 WeakPolarHBondContact O-CB 3.4Å; V158-S162 PolarHBondContact O-N 3.02Å; V158-S162 PolarHBondContact O-OG 3.29Å; L159-S162 PolarHBondContact O-N 2.99Å; S162-V166 WeakPolarHBondContact O-CG2 3.27Å; S162-V166 PolarHBondContact O-N 2.75Å; S162-F369 WeakPolarHBondContact CB-O 3.3Å; S162-F369 PolarHBondContact OG-O 3.4Å; S162-G372 PolarHBondContact OG-N 2.87Å; S162-S393 VanDerWaalsContact C-OG 3.23Å; S162-S393 WeakPolarHBondContact CB-OG 3.46Å
163	S	88.9	Confident	87.1	Confident	18 Å²	18	22 Å²	22	13%	0.126	12%	0.118	C	C	.	.	H	α-helix	trans	-69.6	-47.6	177.1	-65.4	0	0	0	0	111.8	L159 I160 R161 S165 V166 F167 S393	L159-S163 WeakPolarHBondContact O-CB 3.25Å; L159-S163 PolarHBondContact O-N 3.42Å; L159-S163 PolarHBondContact O-OG 3.3Å; I160-S163 PolarHBondContact O-N 2.9Å; R161-S163 VanDerWaalsContact C-N 3.33Å; S163-S165 VanDerWaalsContact C-N 3.29Å; S163-S165 PolarHBondContact O-N 3.47Å; S163-V166 PolarHBondContact O-N 3.05Å; S163-V166 VanDerWaalsContact O-N 3.11Å; S163-F167 VanDerWaalsContact O-CD2 3.24Å; S163-F167 WeakPolarHBondContact O-CD2 3.49Å; S163-F167 PolarHBondContact O-N 3.42Å; S163-S393 WeakPolarHBondContact CA-OG 3.42Å; S163-S393 PolarHBondContact N-OG 2.82Å; S163-S393 PolarHBondContact OG-OG 3.17Å
164	L	86.4	Confident	87.4	Confident	5 Å²	5	20.5 Å²	20.5	3%	0.026	10%	0.102	C	C	.	.	H	α-helix	trans	-56.5	-41.4	174.8	-78.8	174.1	0	0	0	112.8	I160 V166 F167 Q303 M307 L310 S469	I160-L164 HydrophobicContact CG2-CD1 3.9Å; I160-L164 HydrophobicContact CG2-CG 4.4Å; I160-L164 WeakPolarHBondContact O-CB 3.45Å; I160-L164 WeakPolarHBondContact O-CG 3.46Å; I160-L164 PolarHBondContact O-N 3.26Å; L164-V166 VanDerWaalsContact C-N 3.27Å; L164-V166 PolarHBondContact O-N 3.16Å; L164-F167 CarbonylContact O-C 3.36Å; L164-Q303 HydrophobicContact CD1-CB 3.82Å; L164-Q303 HydrophobicContact CD1-CG 4.19Å; L164-Q303 WeakPolarHBondContact CD1-O 3.37Å; L164-M307 HydrophobicContact CD1-CB 4.24Å; L164-M307 HydrophobicContact CD2-CB 3.88Å; L164-M307 HydrophobicContact CD2-CG 4.21Å; L164-M307 HydrophobicContact CG-CB 4.29Å; L164-M307 HydrophobicContact CG-CG 4.48Å; L164-L310 HydrophobicContact CD2-CD1 4.23Å; L164-S469 PolarHBondContact O-OG 3.27Å; L164-S469 VanDerWaalsContact O-OG 3.13Å
165	S	86.3	Confident	87.6	Confident	21 Å²	21	16 Å²	16	15%	0.147	9%	0.085	C	C	.	.	H	α-helix	trans	-74.1	-17.3	-179.9	-170.3	0	0	0	0	113.5	R161 S163 G368 T371	R161-S165 VanDerWaalsContact O-CB 3.31Å; R161-S165 WeakPolarHBondContact O-CB 3.33Å; R161-S165 PolarHBondContact O-N 2.74Å; S163-S165 VanDerWaalsContact C-N 3.29Å; S163-S165 PolarHBondContact O-N 3.47Å; S165-G368 WeakPolarHBondContact CB-O 3.4Å; S165-G368 WeakPolarHBondContact O-CA 3.29Å; S165-G368 VanDerWaalsContact OG-CA 3.29Å; S165-G368 WeakPolarHBondContact OG-CA 3.5Å; S165-G368 PolarHBondContact OG-O 3.3Å; S165-T371 PolarHBondContact OG-OG1 2.88Å
166	V	88.9	Confident	87.8	Confident	5 Å²	5	11.8 Å²	11.8	3%	0.03	6%	0.063	C	C	.	.	H	α-helix	trans	-89.2	-43.2	173.3	166.4	0	0	0	0	110.5	S162 S163 L164 G168 A365 F369 T397 Y401	S162-V166 WeakPolarHBondContact O-CG2 3.27Å; S162-V166 PolarHBondContact O-N 2.75Å; S163-V166 PolarHBondContact O-N 3.05Å; S163-V166 VanDerWaalsContact O-N 3.11Å; L164-V166 VanDerWaalsContact C-N 3.27Å; L164-V166 PolarHBondContact O-N 3.16Å; V166-G168 PolarHBondContact O-N 2.75Å; V166-A365 WeakPolarHBondContact CA-O 3.29Å; V166-A365 WeakPolarHBondContact CG1-O 3.36Å; V166-F369 HydrophobicContact CG2-CB 4.37Å; V166-T397 HydrophobicContact CB-CG2 3.94Å; V166-T397 HydrophobicContact CG1-CG2 3.59Å; V166-Y401 HydrophobicContact CG1-CE2 4.23Å; V166-Y401 PolarHBondContact O-OH 2.87Å
167	F	87.9	Confident	88.3	Confident	10 Å²	10	8 Å²	8	4%	0.044	5%	0.045	C	C	.	.	S	Bend	trans	-70.8	60.3	169.4	-66.7	-60.6	0	0	0	112.1	S163 L164 F171 L310 T397 I400 Y401 A465	S163-F167 VanDerWaalsContact O-CD2 3.24Å; S163-F167 WeakPolarHBondContact O-CD2 3.49Å; S163-F167 PolarHBondContact O-N 3.42Å; L164-F167 CarbonylContact O-C 3.36Å; F167-F171 HydrophobicContact CD1-CD1 4.49Å; F167-F171 HydrophobicContact CD1-CD2 4.11Å; F167-F171 HydrophobicContact CD1-CE2 4.36Å; F167-F171 HydrophobicContact CD1-CG 4.17Å; F167-F171 HydrophobicContact CE1-CD2 4.32Å; F167-F171 HydrophobicContact CE1-CE2 4.19Å; F167-L310 HydrophobicContact CB-CD1 3.79Å; F167-L310 HydrophobicContact CB-CD2 3.99Å; F167-L310 HydrophobicContact CB-CG 4.49Å; F167-L310 HydrophobicContact CD2-CD2 3.91Å; F167-L310 HydrophobicContact CG-CD2 3.98Å; F167-T397 HydrophobicContact CD2-CG2 4.24Å; F167-T397 HydrophobicContact CE1-CG2 4.47Å; F167-T397 HydrophobicContact CE2-CG2 3.79Å; F167-T397 HydrophobicContact CZ-CG2 3.91Å; F167-I400 HydrophobicContact CE1-CB 4.27Å; F167-I400 HydrophobicContact CE1-CG2 3.74Å; F167-I400 HydrophobicContact CZ-CB 4.16Å; F167-I400 HydrophobicContact CZ-CD1 3.77Å; F167-I400 HydrophobicContact CZ-CG2 3.97Å; F167-Y401 HydrophobicContact CD1-CD2 4.5Å; F167-Y401 AromaticContact CD1-CE2 3.74Å; F167-Y401 HydrophobicContact CD1-CE2 3.74Å; F167-Y401 HydrophobicContact CE1-CD2 4.13Å; F167-Y401 AromaticContact CE1-CE2 3.81Å; F167-Y401 HydrophobicContact CE1-CE2 3.81Å; F167-A465 WeakPolarHBondContact O-CB 3.36Å
168	G	84.5	Confident	89	Confident	8 Å²	8	8 Å²	8	8%	0.082	5%	0.045	C	C	.	.	S	Bend	trans	-90.4	-167.9	172	0	0	0	0	0	112.9	V166 I170 F171	V166-G168 PolarHBondContact O-N 2.75Å; G168-I170 PolarHBondContact O-N 2.89Å; G168-I170 VanDerWaalsContact O-N 3.11Å; G168-F171 WeakPolarHBondContact O-CB 3.41Å; G168-F171 PolarHBondContact O-N 3.28Å; G168-F171 VanDerWaalsContact O-N 3.13Å
169	V	87	Confident	89.3	Confident	7 Å²	7	8 Å²	8	4%	0.042	5%	0.045	C	C	.	.	H	α-helix	trans	-45.1	-43.9	-179.5	171.6	0	0	0	0	114	F171 Y172 L173 I526	V169-F171 PolarHBondContact O-N 3.07Å; V169-Y172 PolarHBondContact O-N 3.31Å; V169-Y172 VanDerWaalsContact O-N 3.11Å; V169-L173 HydrophobicContact CG1-CB 4.17Å; V169-L173 HydrophobicContact CG1-CD1 3.72Å; V169-L173 HydrophobicContact CG1-CG 4.06Å; V169-L173 PolarHBondContact O-N 3.48Å; V169-I526 HydrophobicContact CG1-CD1 4.38Å
170	I	89.7	Confident	89.4	Confident	12 Å²	12	6.9 Å²	6.9	6%	0.062	4%	0.039	C	C	.	.	H	α-helix	trans	-60.4	-31.6	-173.2	-70.3	159.5	0	0	0	112.1	G168 Y172 R174 L175 I178 I361 Y362 P364 A365	G168-I170 PolarHBondContact O-N 2.89Å; G168-I170 VanDerWaalsContact O-N 3.11Å; I170-Y172 VanDerWaalsContact C-N 3.3Å; I170-Y172 PolarHBondContact O-N 3.36Å; I170-R174 HydrophobicContact CG2-CB 4.28Å; I170-R174 PolarHBondContact O-N 3.18Å; I170-L175 PolarHBondContact O-N 3.05Å; I170-I178 HydrophobicContact CG2-CD1 4.27Å; I170-I361 WeakPolarHBondContact CD1-O 3.15Å; I170-Y362 HydrophobicContact CG2-CD2 4.49Å; I170-P364 HydrophobicContact CD1-CB 3.66Å; I170-P364 HydrophobicContact CD1-CG 4.06Å; I170-A365 HydrophobicContact CB-CB 4.13Å; I170-A365 HydrophobicContact CD1-CB 4.35Å; I170-A365 HydrophobicContact CG2-CB 3.9Å
171	F	91.7	Very high	89.8	Confident	1 Å²	1	5.9 Å²	5.9	0%	0.004	3%	0.034	C	C	.	.	H	α-helix	trans	-58	-42	177.4	-179.1	-106.5	0	0	0	112.4	F167 G168 V169 L175 V314 I400 Y401 V404 L448	F167-F171 HydrophobicContact CD1-CD1 4.49Å; F167-F171 HydrophobicContact CD1-CD2 4.11Å; F167-F171 HydrophobicContact CD1-CE2 4.36Å; F167-F171 HydrophobicContact CD1-CG 4.17Å; F167-F171 HydrophobicContact CE1-CD2 4.32Å; F167-F171 HydrophobicContact CE1-CE2 4.19Å; G168-F171 WeakPolarHBondContact O-CB 3.41Å; G168-F171 PolarHBondContact O-N 3.28Å; G168-F171 VanDerWaalsContact O-N 3.13Å; V169-F171 PolarHBondContact O-N 3.07Å; F171-L175 HydrophobicContact CD2-CD2 3.88Å; F171-L175 HydrophobicContact CE2-CD2 4.07Å; F171-L175 WeakPolarHBondContact O-CB 3.16Å; F171-V314 HydrophobicContact CE1-CG2 3.86Å; F171-V314 HydrophobicContact CZ-CG2 4.13Å; F171-I400 HydrophobicContact CE2-CG2 4Å; F171-I400 HydrophobicContact CZ-CG2 4.17Å; F171-Y401 HydrophobicContact CB-CE1 4.32Å; F171-Y401 HydrophobicContact CB-CE2 4.41Å; F171-Y401 WeakPolarHBondContact CB-OH 3.02Å; F171-Y401 HydrophobicContact CD2-CD1 4.26Å; F171-Y401 AromaticContact CD2-CD2 3.81Å; F171-Y401 HydrophobicContact CD2-CD2 3.81Å; F171-Y401 HydrophobicContact CD2-CE1 4.01Å; F171-Y401 AromaticContact CD2-CE2 3.55Å; F171-Y401 HydrophobicContact CD2-CE2 3.55Å; F171-Y401 HydrophobicContact CD2-CG 4.19Å; F171-Y401 AromaticContact CD2-CZ 3.67Å; F171-Y401 HydrophobicContact CE2-CD2 4.15Å; F171-Y401 HydrophobicContact CE2-CE2 4.26Å; F171-Y401 HydrophobicContact CG-CE2 4.32Å; F171-V404 HydrophobicContact CE2-CB 4.48Å; F171-V404 HydrophobicContact CE2-CG2 3.99Å; F171-V404 HydrophobicContact CZ-CG2 3.9Å; F171-L448 HydrophobicContact CE1-CD2 4.31Å
172	Y	90.7	Very high	90.1	Very high	2 Å²	2	5.5 Å²	5.5	1%	0.008	3%	0.033	C	C	.	.	H	α-helix	trans	-96.8	-39.4	-175.7	-68.6	-77.1	0	0	0	113.9	V169 I170 S313 L448 V458 I462 A465	V169-Y172 PolarHBondContact O-N 3.31Å; V169-Y172 VanDerWaalsContact O-N 3.11Å; I170-Y172 VanDerWaalsContact C-N 3.3Å; I170-Y172 PolarHBondContact O-N 3.36Å; Y172-S313 WeakPolarHBondContact CE1-OG 3.3Å; Y172-S313 WeakPolarHBondContact OH-CB 3.03Å; Y172-S313 PolarHBondContact OH-OG 2.87Å; Y172-L448 HydrophobicContact CD1-CB 4.44Å; Y172-L448 HydrophobicContact CD1-CD2 4.04Å; Y172-L448 WeakPolarHBondContact O-CD1 3.49Å; Y172-V458 HydrophobicContact CD1-CG1 3.89Å; Y172-V458 HydrophobicContact CE1-CG1 3.86Å; Y172-I462 HydrophobicContact CD1-CG1 3.96Å; Y172-I462 HydrophobicContact CD2-CG1 4.01Å; Y172-I462 HydrophobicContact CG-CG1 3.62Å; Y172-A465 HydrophobicContact CD2-CB 4.1Å; Y172-A465 HydrophobicContact CE2-CB 3.86Å
173	L	88.6	Confident	90.4	Very high	3 Å²	3	5.5 Å²	5.5	2%	0.016	3%	0.033	C	C	.	.	H	α-helix	trans	-97.1	-11.9	-171.2	-60.9	-169.5	0	0	0	115	V169 Y445 I462	V169-L173 HydrophobicContact CG1-CB 4.17Å; V169-L173 HydrophobicContact CG1-CD1 3.72Å; V169-L173 HydrophobicContact CG1-CG 4.06Å; V169-L173 PolarHBondContact O-N 3.48Å; L173-Y445 WeakPolarHBondContact O-CB 3.27Å; L173-Y445 VanDerWaalsContact O-CD1 3.28Å; L173-Y445 WeakPolarHBondContact O-CD1 3.36Å; L173-I462 HydrophobicContact CD2-CD1 4.18Å; L173-I462 HydrophobicContact CD2-CG2 4.36Å
174	R	91.1	Very high	90.7	Very high	4 Å²	4	4.7 Å²	4.7	2%	0.015	3%	0.027	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136	-16.9	-173.1	-64.9	-65.2	-176.1	-82.9	-2.7	114.5	I170 T176 W177 I178 E256 Y445	I170-R174 HydrophobicContact CG2-CB 4.28Å; I170-R174 PolarHBondContact O-N 3.18Å; R174-T176 PolarHBondContact O-N 2.62Å; R174-W177 PolarHBondContact O-N 3.46Å; R174-I178 HydrophobicContact CB-CD1 4.2Å; R174-I178 WeakPolarHBondContact O-CB 3.46Å; R174-I178 WeakPolarHBondContact O-CD1 3.33Å; R174-I178 WeakPolarHBondContact O-CG1 3.48Å; R174-I178 PolarHBondContact O-N 3.47Å; R174-E256 IonicContact CZ-OE1 2.93Å; R174-E256 VanDerWaalsContact CZ-OE1 3.32Å; R174-E256 IonicContact CZ-OE2 3.28Å; R174-E256 IonicContact NH1-OE1 3.85Å; R174-E256 PolarHBondContact NH1-OE1 3.45Å; R174-E256 IonicContact NH1-OE2 3.74Å; R174-E256 VanDerWaalsContact NH2-CD 3.3Å; R174-E256 IonicContact NH2-OE1 2.67Å; R174-E256 PolarHBondContact NH2-OE1 3.11Å; R174-E256 IonicContact NH2-OE2 3.32Å; R174-E256 PolarHBondContact NH2-OE2 2.85Å; R174-Y445 VanDerWaalsContact NH1-CD2 3.31Å; R174-Y445 VanDerWaalsContact NH1-CG 3.25Å
175	L	91.8	Very high	91	Very high	1 Å²	1	6 Å²	6	1%	0.005	4%	0.038	C	C	.	.	H	α-helix	trans	-60.3	-41.9	-177.1	-169.8	61.1	0	0	0	113.1	I170 F171 Q179 Y362 Y401 V404 M405	I170-L175 PolarHBondContact O-N 3.05Å; F171-L175 HydrophobicContact CD2-CD2 3.88Å; F171-L175 HydrophobicContact CE2-CD2 4.07Å; F171-L175 WeakPolarHBondContact O-CB 3.16Å; L175-Q179 WeakPolarHBondContact O-CB 3.39Å; L175-Q179 PolarHBondContact O-N 3.23Å; L175-Y362 HydrophobicContact CD1-CE2 4.24Å; L175-Y401 HydrophobicContact CD1-CD1 3.75Å; L175-Y401 HydrophobicContact CD1-CE1 4.31Å; L175-Y401 HydrophobicContact CD2-CD1 4.09Å; L175-V404 HydrophobicContact CD2-CB 4.09Å; L175-V404 HydrophobicContact CD2-CG1 3.73Å; L175-M405 HydrophobicContact CD1-CG 3.62Å; L175-M405 HydrophobicContact CD1-SD 3.53Å; L175-M405 VanDerWaalsContact CD1-SD 3.53Å; L175-M405 HydrophobicContact CD2-CG 4.12Å; L175-M405 HydrophobicContact CG-CG 3.71Å; L175-M405 HydrophobicContact CG-SD 4.31Å
176	T	92	Very high	91.4	Very high	0 Å²	0	8 Å²	8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-70.9	-40.3	177	48.5	0	0	0	0	112.4	R174 I178 Q179 A180 T408 T447 L448	R174-T176 PolarHBondContact O-N 2.62Å; T176-I178 PolarHBondContact O-N 3.13Å; T176-Q179 CarbonylContact O-C 3.19Å; T176-Q179 PolarHBondContact O-N 2.85Å; T176-A180 WeakPolarHBondContact O-CB 3.49Å; T176-A180 PolarHBondContact O-N 3.07Å; T176-T408 HydrophobicContact CG2-CG2 3.37Å; T176-T447 PolarHBondContact OG1-OG1 2.74Å; T176-L448 HydrophobicContact CG2-CD1 3.47Å; T176-L448 VanDerWaalsContact CG2-CD1 3.47Å; T176-L448 HydrophobicContact CG2-CG 4.43Å
177	W	92.4	Very high	91.6	Very high	15 Å²	15	7.7 Å²	7.7	6%	0.057	5%	0.045	C	C	.	.	H	α-helix	trans	-62.2	-41.8	173.8	-179	87.5	0	0	0	112.4	R174 Q179 A180 Q181 E353 V358 I361 T441 H442 Y445	R174-W177 PolarHBondContact O-N 3.46Å; W177-Q179 VanDerWaalsContact C-N 3.32Å; W177-Q179 PolarHBondContact O-N 3.13Å; W177-A180 WeakPolarHBondContact O-CB 3.07Å; W177-A180 PolarHBondContact O-N 3.23Å; W177-Q181 HydrophobicContact CD2-CG 4.03Å; W177-Q181 HydrophobicContact CE3-CG 4.35Å; W177-Q181 HydrophobicContact CH2-CG 4.33Å; W177-Q181 HydrophobicContact CZ2-CG 4Å; W177-Q181 HydrophobicContact CZ3-CG 4.48Å; W177-Q181 VanDerWaalsContact O-CG 3.28Å; W177-Q181 WeakPolarHBondContact O-CG 3.48Å; W177-Q181 PolarHBondContact O-N 2.79Å; W177-E353 HydrophobicContact CH2-CG 3.75Å; W177-E353 HydrophobicContact CZ2-CG 3.93Å; W177-V358 HydrophobicContact CH2-CG2 4.39Å; W177-V358 HydrophobicContact CZ3-CG2 4.22Å; W177-I361 HydrophobicContact CH2-CD1 3.81Å; W177-I361 HydrophobicContact CZ3-CD1 3.74Å; W177-I361 HydrophobicContact CZ3-CG2 4.35Å; W177-T441 WeakPolarHBondContact CA-O 3.48Å; W177-H442 VanDerWaalsContact CD1-O 3.29Å; W177-Y445 HydrophobicContact CB-CD1 4.13Å; W177-Y445 HydrophobicContact CB-CE1 4.05Å; W177-Y445 AromaticContact CD1-CE1 3.64Å; W177-Y445 HydrophobicContact CD2-CE1 4.33Å; W177-Y445 HydrophobicContact CG-CD1 4.32Å; W177-Y445 AromaticContact CG-CE1 3.76Å; W177-Y445 HydrophobicContact CG-CE1 3.76Å
178	I	93	Very high	91.9	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-59.6	-43.8	173	-71.2	161.2	0	0	0	110.7	I170 R174 T176 A182 A187 V358 Y362	I170-I178 HydrophobicContact CG2-CD1 4.27Å; R174-I178 HydrophobicContact CB-CD1 4.2Å; R174-I178 WeakPolarHBondContact O-CB 3.46Å; R174-I178 WeakPolarHBondContact O-CD1 3.33Å; R174-I178 WeakPolarHBondContact O-CG1 3.48Å; R174-I178 PolarHBondContact O-N 3.47Å; T176-I178 PolarHBondContact O-N 3.13Å; I178-A182 WeakPolarHBondContact O-CB 3.18Å; I178-A182 PolarHBondContact O-N 3.07Å; I178-A187 HydrophobicContact CG2-CB 4.38Å; I178-V358 HydrophobicContact CB-CG1 4.12Å; I178-V358 HydrophobicContact CG1-CG1 3.96Å; I178-V358 HydrophobicContact CG2-CG1 3.71Å; I178-Y362 HydrophobicContact CD1-CD2 3.92Å; I178-Y362 HydrophobicContact CD1-CG 4.42Å
179	Q	94	Very high	92.4	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-69.7	-29.1	176.6	176.3	-101.7	-73.1	0	0	112.8	L175 T176 W177 G183 I184 A187 M405 G409	L175-Q179 WeakPolarHBondContact O-CB 3.39Å; L175-Q179 PolarHBondContact O-N 3.23Å; T176-Q179 CarbonylContact O-C 3.19Å; T176-Q179 PolarHBondContact O-N 2.85Å; W177-Q179 VanDerWaalsContact C-N 3.32Å; W177-Q179 PolarHBondContact O-N 3.13Å; Q179-G183 CarbonylContact O-C 3.6Å; Q179-G183 WeakPolarHBondContact O-CA 3.43Å; Q179-G183 PolarHBondContact O-N 3.18Å; Q179-I184 HydrophobicContact CG-CG1 4.39Å; Q179-A187 HydrophobicContact CB-CB 4.48Å; Q179-M405 HydrophobicContact CB-CE 4.37Å; Q179-M405 HydrophobicContact CG-CB 4.39Å; Q179-G409 VanDerWaalsContact OE1-N 3.17Å
180	A	92.4	Very high	92.8	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-69.6	-51.6	173.6	0	0	0	0	0	111	T176 W177 R414 T441 H442	T176-A180 WeakPolarHBondContact O-CB 3.49Å; T176-A180 PolarHBondContact O-N 3.07Å; W177-A180 WeakPolarHBondContact O-CB 3.07Å; W177-A180 PolarHBondContact O-N 3.23Å; A180-R414 VanDerWaalsContact O-CZ 3.31Å; A180-R414 PolarHBondContact O-NE 2.93Å; A180-R414 PolarHBondContact O-NH2 3.01Å; A180-T441 WeakPolarHBondContact CB-OG1 3.45Å; A180-H442 PolarHBondContact O-NE2 2.55Å
181	Q	93.5	Very high	92.9	Very high	4 Å²	4	9.7 Å²	9.7	2%	0.019	6%	0.057	C	C	.	.	H	α-helix	trans	-62.8	-57	-179.8	-65.6	-76.1	0.8	0	0	112.1	W177 P348 D349 W350 V358	W177-Q181 HydrophobicContact CD2-CG 4.03Å; W177-Q181 HydrophobicContact CE3-CG 4.35Å; W177-Q181 HydrophobicContact CH2-CG 4.33Å; W177-Q181 HydrophobicContact CZ2-CG 4Å; W177-Q181 HydrophobicContact CZ3-CG 4.48Å; W177-Q181 VanDerWaalsContact O-CG 3.28Å; W177-Q181 WeakPolarHBondContact O-CG 3.48Å; W177-Q181 PolarHBondContact O-N 2.79Å; Q181-P348 CarbonylContact O-C 3.56Å; Q181-P348 WeakPolarHBondContact O-CA 3.11Å; Q181-P348 WeakPolarHBondContact O-CB 3.46Å; Q181-D349 CarbonylContact O-C 3.45Å; Q181-D349 PolarHBondContact O-N 2.91Å; Q181-D349 PolarHBondContact OE1-O 2.78Å; Q181-W350 HydrophobicContact CB-CE3 4.29Å; Q181-W350 HydrophobicContact CB-CZ3 4.29Å; Q181-V358 HydrophobicContact CB-CG2 4.26Å
182	A	93.6	Very high	93.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-84	-14.2	-174.3	0	0	0	0	0	113.8	I178 L186 A187 I190 P348 W350	I178-A182 WeakPolarHBondContact O-CB 3.18Å; I178-A182 PolarHBondContact O-N 3.07Å; A182-L186 HydrophobicContact CB-CB 4.14Å; A182-L186 WeakPolarHBondContact O-CB 3.16Å; A182-A187 HydrophobicContact CB-CB 3.98Å; A182-I190 HydrophobicContact CB-CD1 4.12Å; A182-P348 WeakPolarHBondContact O-CA 3.4Å; A182-P348 WeakPolarHBondContact O-CB 3.31Å; A182-W350 HydrophobicContact CB-CH2 3.66Å; A182-W350 HydrophobicContact CB-CZ2 4.31Å; A182-W350 HydrophobicContact CB-CZ3 4.2Å
183	G	94.3	Very high	93.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	70.8	160.3	-170.8	0	0	0	0	0	112.6	Q179 A185 L186 A187 N345	Q179-G183 CarbonylContact O-C 3.6Å; Q179-G183 WeakPolarHBondContact O-CA 3.43Å; Q179-G183 PolarHBondContact O-N 3.18Å; G183-A185 PolarHBondContact O-N 3.37Å; G183-A185 VanDerWaalsContact O-N 3.11Å; G183-L186 PolarHBondContact O-N 2.69Å; G183-A187 WeakPolarHBondContact O-CB 3.42Å; G183-A187 PolarHBondContact O-N 3.09Å; G183-N345 CarbonylContact C-O 3.46Å; G183-N345 WeakPolarHBondContact CA-O 3.38Å
184	I	94.1	Very high	93.4	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-52.8	-40.6	-173.1	-59.5	165	0	0	0	111.8	Q179 S188 M342 N345 F346 W406	Q179-I184 HydrophobicContact CG-CG1 4.39Å; I184-S188 WeakPolarHBondContact O-CB 3.3Å; I184-S188 PolarHBondContact O-N 2.99Å; I184-S188 VanDerWaalsContact O-N 3.08Å; I184-S188 PolarHBondContact O-OG 3.29Å; I184-M342 HydrophobicContact CD1-CG 4.05Å; I184-N345 HydrophobicContact CD1-CB 4.04Å; I184-N345 HydrophobicContact CG1-CB 4.33Å; I184-N345 PolarHBondContact N-O 3.5Å; I184-F346 HydrophobicContact CB-CD2 4.44Å; I184-F346 PolarHBondContact N-O 3.07Å; I184-W406 HydrophobicContact CG2-CD2 3.87Å; I184-W406 HydrophobicContact CG2-CE3 4.42Å; I184-W406 HydrophobicContact CG2-CG 4.07Å; I184-W406 HydrophobicContact CG2-CZ2 4.22Å
185	A	93.7	Very high	93.5	Very high	32 Å²	32	16.5 Å²	16.5	26%	0.264	10%	0.096	S	C	.	.	H	α-helix	trans	-69	-57.2	-176.1	0	0	0	0	0	113.5	G183 S188 V189 F346	G183-A185 PolarHBondContact O-N 3.37Å; G183-A185 VanDerWaalsContact O-N 3.11Å; A185-S188 WeakPolarHBondContact O-CB 3.46Å; A185-S188 PolarHBondContact O-N 3.16Å; A185-V189 PolarHBondContact O-N 3.4Å; A185-F346 HydrophobicContact CB-CD1 4.29Å; A185-F346 HydrophobicContact CB-CE1 3.88Å; A185-F346 HydrophobicContact CB-CE2 4.29Å; A185-F346 HydrophobicContact CB-CZ 3.88Å; A185-F346 PolarHBondContact N-O 3.18Å
186	L	93.7	Very high	93.6	Very high	63 Å²	63	20.1 Å²	20.1	33%	0.33	12%	0.115	S	C	.	.	H	α-helix	trans	-72.8	-32	-178.4	-62.4	174.3	0	0	0	111.8	A182 G183 S188 V189 I190 P348 W350 F355	A182-L186 HydrophobicContact CB-CB 4.14Å; A182-L186 WeakPolarHBondContact O-CB 3.16Å; G183-L186 PolarHBondContact O-N 2.69Å; L186-S188 VanDerWaalsContact C-N 3.3Å; L186-S188 PolarHBondContact O-N 2.85Å; L186-V189 WeakPolarHBondContact O-CA 3.05Å; L186-V189 WeakPolarHBondContact O-CB 3.43Å; L186-V189 PolarHBondContact O-N 2.96Å; L186-V189 VanDerWaalsContact O-N 3.08Å; L186-I190 WeakPolarHBondContact O-CG1 3.18Å; L186-I190 PolarHBondContact O-N 3.1Å; L186-P348 HydrophobicContact CD1-CB 4.19Å; L186-P348 HydrophobicContact CD1-CG 3.78Å; L186-W350 HydrophobicContact CD1-CZ2 4.17Å; L186-F355 HydrophobicContact CB-CE2 4.46Å
187	A	94.2	Very high	93.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-63.3	-38.6	174	0	0	0	0	0	110.9	I178 Q179 A182 G183 V189 I190 V191 M405	I178-A187 HydrophobicContact CG2-CB 4.38Å; Q179-A187 HydrophobicContact CB-CB 4.48Å; A182-A187 HydrophobicContact CB-CB 3.98Å; G183-A187 WeakPolarHBondContact O-CB 3.42Å; G183-A187 PolarHBondContact O-N 3.09Å; A187-V189 VanDerWaalsContact C-N 3.31Å; A187-V189 PolarHBondContact O-N 3.08Å; A187-I190 WeakPolarHBondContact O-CB 3.49Å; A187-I190 PolarHBondContact O-N 3.47Å; A187-V191 PolarHBondContact O-N 3.26Å; A187-V191 VanDerWaalsContact O-N 3.09Å; A187-M405 VanDerWaalsContact C-CE 3.43Å; A187-M405 HydrophobicContact CB-CE 3.17Å; A187-M405 WeakPolarHBondContact O-CE 3.47Å
188	S	94.5	Very high	93.7	Very high	12 Å²	12	19.5 Å²	19.5	8%	0.084	11%	0.113	C	C	.	.	H	α-helix	trans	-60.3	-38.9	170.7	-62.1	0	0	0	0	112.3	I184 A185 L186 V191 I192 W406	I184-S188 WeakPolarHBondContact O-CB 3.3Å; I184-S188 PolarHBondContact O-N 2.99Å; I184-S188 VanDerWaalsContact O-N 3.08Å; I184-S188 PolarHBondContact O-OG 3.29Å; A185-S188 WeakPolarHBondContact O-CB 3.46Å; A185-S188 PolarHBondContact O-N 3.16Å; L186-S188 VanDerWaalsContact C-N 3.3Å; L186-S188 PolarHBondContact O-N 2.85Å; S188-V191 PolarHBondContact O-N 3.46Å; S188-I192 WeakPolarHBondContact O-CD1 3.44Å; S188-I192 VanDerWaalsContact O-CG1 3.25Å; S188-I192 WeakPolarHBondContact O-CG1 3.25Å; S188-I192 PolarHBondContact O-N 3.32Å; S188-W406 PolarHBondContact OG-NE1 2.88Å
189	V	94.7	Very high	93.7	Very high	65 Å²	65	22.4 Å²	22.4	39%	0.394	13%	0.128	S	C	.	.	H	α-helix	trans	-63.9	-42.3	174.6	176.4	0	0	0	0	111.5	A185 L186 A187 V191 I192 V193 F355	A185-V189 PolarHBondContact O-N 3.4Å; L186-V189 WeakPolarHBondContact O-CA 3.05Å; L186-V189 WeakPolarHBondContact O-CB 3.43Å; L186-V189 PolarHBondContact O-N 2.96Å; L186-V189 VanDerWaalsContact O-N 3.08Å; A187-V189 VanDerWaalsContact C-N 3.31Å; A187-V189 PolarHBondContact O-N 3.08Å; V189-V191 VanDerWaalsContact C-N 3.33Å; V189-V191 PolarHBondContact O-N 3.31Å; V189-I192 PolarHBondContact O-N 3.38Å; V189-V193 HydrophobicContact CG1-CG2 4.03Å; V189-V193 WeakPolarHBondContact O-CB 3.46Å; V189-V193 WeakPolarHBondContact O-CG2 3.43Å; V189-V193 PolarHBondContact O-N 2.66Å; V189-F355 HydrophobicContact CG1-CZ 4.42Å
190	I	94.2	Very high	93.8	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57	-45.2	175.6	-73	171.3	0	0	0	111.1	A182 L186 A187 S194 F355 V358 L359 Y362	A182-I190 HydrophobicContact CB-CD1 4.12Å; L186-I190 WeakPolarHBondContact O-CG1 3.18Å; L186-I190 PolarHBondContact O-N 3.1Å; A187-I190 WeakPolarHBondContact O-CB 3.49Å; A187-I190 PolarHBondContact O-N 3.47Å; I190-S194 WeakPolarHBondContact O-CB 3.36Å; I190-S194 PolarHBondContact O-N 2.96Å; I190-S194 VanDerWaalsContact O-N 3.14Å; I190-S194 PolarHBondContact O-OG 2.9Å; I190-F355 HydrophobicContact CD1-CD2 4.06Å; I190-F355 HydrophobicContact CD1-CE2 3.92Å; I190-F355 HydrophobicContact CG1-CD2 4.13Å; I190-F355 HydrophobicContact CG1-CE2 3.49Å; I190-F355 VanDerWaalsContact CG1-CE2 3.49Å; I190-F355 HydrophobicContact CG1-CZ 3.72Å; I190-V358 HydrophobicContact CD1-CB 4.42Å; I190-V358 HydrophobicContact CD1-CG1 3.91Å; I190-L359 HydrophobicContact CG2-CD1 3.88Å; I190-Y362 HydrophobicContact CG2-CD1 3.65Å; I190-Y362 HydrophobicContact CG2-CG 3.7Å
191	V	93.8	Very high	93.9	Very high	1 Å²	1	23 Å²	23	1%	0.006	13%	0.131	C	C	.	.	H	α-helix	trans	-62.9	-48.7	175	177.3	0	0	0	0	111.3	A187 S188 V189 S194 S195 Y362 L402 M405	A187-V191 PolarHBondContact O-N 3.26Å; A187-V191 VanDerWaalsContact O-N 3.09Å; S188-V191 PolarHBondContact O-N 3.46Å; V189-V191 VanDerWaalsContact C-N 3.33Å; V189-V191 PolarHBondContact O-N 3.31Å; V191-S194 PolarHBondContact O-N 3.12Å; V191-S195 WeakPolarHBondContact O-CB 3.47Å; V191-S195 PolarHBondContact O-N 2.77Å; V191-S195 PolarHBondContact O-OG 3Å; V191-Y362 HydrophobicContact CB-CE1 4.5Å; V191-Y362 HydrophobicContact CG2-CE1 4.25Å; V191-Y362 HydrophobicContact CG2-CE2 3.98Å; V191-L402 HydrophobicContact CB-CD2 3.85Å; V191-L402 HydrophobicContact CB-CG 4.39Å; V191-L402 HydrophobicContact CG1-CD2 3.88Å; V191-L402 HydrophobicContact CG1-CG 3.84Å; V191-L402 HydrophobicContact CG2-CD2 4.34Å; V191-M405 HydrophobicContact CG2-CE 3.95Å; V191-M405 HydrophobicContact CG2-SD 3.41Å; V191-M405 WeakPolarHBondContact CG2-SD 3.38Å
192	I	94.5	Very high	93.9	Very high	96 Å²	96	22.9 Å²	22.9	49%	0.492	13%	0.13	S	C	.	.	H	α-helix	trans	-63.4	-46.3	-176.7	-70	164.5	0	0	0	111.3	S188 V189 S195 L196 L402	S188-I192 WeakPolarHBondContact O-CD1 3.44Å; S188-I192 VanDerWaalsContact O-CG1 3.25Å; S188-I192 WeakPolarHBondContact O-CG1 3.25Å; S188-I192 PolarHBondContact O-N 3.32Å; V189-I192 PolarHBondContact O-N 3.38Å; I192-S195 PolarHBondContact O-N 2.66Å; I192-L196 WeakPolarHBondContact O-CB 3.48Å; I192-L196 PolarHBondContact O-N 3.04Å; I192-L402 HydrophobicContact CG1-CD1 4.38Å
193	V	93.1	Very high	93.9	Very high	44 Å²	44	24 Å²	24	27%	0.267	14%	0.136	S	C	.	.	H	α-helix	trans	-62.6	-46.1	179.1	170.5	0	0	0	0	111.1	V189 L196 V197 L581	V189-V193 HydrophobicContact CG1-CG2 4.03Å; V189-V193 WeakPolarHBondContact O-CB 3.46Å; V189-V193 WeakPolarHBondContact O-CG2 3.43Å; V189-V193 PolarHBondContact O-N 2.66Å; V193-L196 PolarHBondContact O-N 3.46Å; V193-V197 PolarHBondContact O-N 3.34Å; V193-V197 VanDerWaalsContact O-N 3.07Å; V193-L581 HydrophobicContact CG1-CD1 4.02Å
194	S	93.2	Very high	93.9	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.9	-41.3	177.9	-56.2	0	0	0	0	111.8	I190 V191 V197 G198 L359 Y362	I190-S194 WeakPolarHBondContact O-CB 3.36Å; I190-S194 PolarHBondContact O-N 2.96Å; I190-S194 VanDerWaalsContact O-N 3.14Å; I190-S194 PolarHBondContact O-OG 2.9Å; V191-S194 PolarHBondContact O-N 3.12Å; S194-V197 PolarHBondContact O-N 2.77Å; S194-G198 PolarHBondContact O-N 3.13Å; S194-L359 VanDerWaalsContact OG-CD1 3.29Å; S194-L359 WeakPolarHBondContact OG-CD1 3.34Å; S194-Y362 WeakPolarHBondContact OG-CD1 3.4Å
195	S	92.7	Very high	93.7	Very high	13 Å²	13	24 Å²	24	9%	0.091	14%	0.137	C	C	.	.	H	α-helix	trans	-65.9	-37.1	177.3	-57.7	0	0	0	0	112	V191 I192 G198 L199 S398	V191-S195 WeakPolarHBondContact O-CB 3.47Å; V191-S195 PolarHBondContact O-N 2.77Å; V191-S195 PolarHBondContact O-OG 3Å; I192-S195 PolarHBondContact O-N 2.66Å; S195-G198 PolarHBondContact O-N 3.3Å; S195-L199 WeakPolarHBondContact O-CB 3.05Å; S195-L199 PolarHBondContact O-N 2.91Å; S195-S398 WeakPolarHBondContact CB-OG 3.26Å; S195-S398 WeakPolarHBondContact OG-CB 3.1Å; S195-S398 PolarHBondContact OG-OG 3.13Å
196	L	93.7	Very high	93.6	Very high	78 Å²	78	22.6 Å²	22.6	41%	0.408	12%	0.124	S	C	.	.	H	α-helix	trans	-63.2	-44.7	173.7	179	65.1	0	0	0	111.1	I192 V193 G198 L199 L200	I192-L196 WeakPolarHBondContact O-CB 3.48Å; I192-L196 PolarHBondContact O-N 3.04Å; V193-L196 PolarHBondContact O-N 3.46Å; L196-G198 VanDerWaalsContact C-N 3.31Å; L196-G198 PolarHBondContact O-N 3.05Å; L196-L199 PolarHBondContact O-N 3.35Å; L196-L200 HydrophobicContact CD1-CD1 4.16Å; L196-L200 HydrophobicContact CD1-CG 4.09Å; L196-L200 HydrophobicContact CG-CD1 3.94Å; L196-L200 HydrophobicContact CG-CG 4.31Å; L196-L200 WeakPolarHBondContact O-CB 3.47Å; L196-L200 VanDerWaalsContact O-CG 3.22Å; L196-L200 WeakPolarHBondContact O-CG 3.48Å; L196-L200 PolarHBondContact O-N 3.47Å
197	V	93.9	Very high	93.5	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-58.5	-44	173.7	166.6	0	0	0	0	111.4	V193 S194 T201 F363 Y541 I577 C578 L581	V193-V197 PolarHBondContact O-N 3.34Å; V193-V197 VanDerWaalsContact O-N 3.07Å; S194-V197 PolarHBondContact O-N 2.77Å; V197-T201 WeakPolarHBondContact O-CB 3.48Å; V197-T201 PolarHBondContact O-N 3.27Å; V197-T201 VanDerWaalsContact O-N 3.13Å; V197-T201 PolarHBondContact O-OG1 3.33Å; V197-F363 HydrophobicContact CG1-CE2 3.98Å; V197-F363 HydrophobicContact CG1-CZ 4.33Å; V197-Y541 HydrophobicContact CG1-CD2 4.09Å; V197-I577 HydrophobicContact CG2-CG2 3.58Å; V197-C578 VanDerWaalsContact CG1-SG 3.6Å; V197-L581 HydrophobicContact CG2-CD1 3.91Å
198	G	93	Very high	93.3	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.01	11%	0.109	C	C	.	.	H	α-helix	trans	-60.9	-45.9	173.9	0	0	0	0	0	112.7	S194 S195 L196 T201 G202	S194-G198 PolarHBondContact O-N 3.13Å; S195-G198 PolarHBondContact O-N 3.3Å; L196-G198 VanDerWaalsContact C-N 3.31Å; L196-G198 PolarHBondContact O-N 3.05Å; G198-T201 PolarHBondContact O-N 3.05Å; G198-G202 PolarHBondContact O-N 3.37Å
199	L	93.9	Very high	93	Very high	61 Å²	61	19 Å²	19	32%	0.319	11%	0.105	S	C	.	.	H	α-helix	trans	-65.2	-47.3	-179	-172.4	71.9	0	0	0	112.5	S195 L196 T201 G202 I203 L391	S195-L199 WeakPolarHBondContact O-CB 3.05Å; S195-L199 PolarHBondContact O-N 2.91Å; L196-L199 PolarHBondContact O-N 3.35Å; L199-T201 VanDerWaalsContact C-N 3.3Å; L199-T201 PolarHBondContact O-N 2.91Å; L199-G202 PolarHBondContact O-N 3.47Å; L199-G202 VanDerWaalsContact O-N 3.17Å; L199-I203 HydrophobicContact CG-CD1 4.46Å; L199-I203 WeakPolarHBondContact O-CG1 3.17Å; L199-I203 PolarHBondContact O-N 2.56Å; L199-L391 HydrophobicContact CD1-CD2 3.85Å
200	L	94.8	Very high	92.6	Very high	13 Å²	13	17 Å²	17	7%	0.068	9%	0.093	C	C	.	.	H	α-helix	trans	-58.4	-44	176.5	-68.8	171.5	0	0	0	110.9	L196 I203 S204 I570 I577	L196-L200 HydrophobicContact CD1-CD1 4.16Å; L196-L200 HydrophobicContact CD1-CG 4.09Å; L196-L200 HydrophobicContact CG-CD1 3.94Å; L196-L200 HydrophobicContact CG-CG 4.31Å; L196-L200 WeakPolarHBondContact O-CB 3.47Å; L196-L200 VanDerWaalsContact O-CG 3.22Å; L196-L200 WeakPolarHBondContact O-CG 3.48Å; L196-L200 PolarHBondContact O-N 3.47Å; L200-I203 PolarHBondContact O-N 3.01Å; L200-S204 PolarHBondContact O-N 3.04Å; L200-S204 VanDerWaalsContact O-N 3.11Å; L200-S204 PolarHBondContact O-OG 3.05Å; L200-I570 HydrophobicContact CD2-CG2 3.34Å; L200-I577 HydrophobicContact CD1-CD1 4.02Å
201	T	94.3	Very high	92.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-69.8	-35.4	177.2	-50.2	0	0	0	0	111.8	V197 G198 L199 I203 S204 L205 F369 Y541 I544 N545	V197-T201 WeakPolarHBondContact O-CB 3.48Å; V197-T201 PolarHBondContact O-N 3.27Å; V197-T201 VanDerWaalsContact O-N 3.13Å; V197-T201 PolarHBondContact O-OG1 3.33Å; G198-T201 PolarHBondContact O-N 3.05Å; L199-T201 VanDerWaalsContact C-N 3.3Å; L199-T201 PolarHBondContact O-N 2.91Å; T201-I203 VanDerWaalsContact C-N 3.34Å; T201-I203 PolarHBondContact O-N 3.29Å; T201-S204 PolarHBondContact O-N 2.91Å; T201-L205 VanDerWaalsContact O-CB 3.3Å; T201-L205 WeakPolarHBondContact O-CB 3.39Å; T201-L205 PolarHBondContact O-N 3.13Å; T201-F369 HydrophobicContact CG2-CZ 3.99Å; T201-Y541 HydrophobicContact CG2-CD1 3.8Å; T201-Y541 HydrophobicContact CG2-CE1 4.49Å; T201-Y541 HydrophobicContact CG2-CG 3.84Å; T201-I544 HydrophobicContact CG2-CG2 4.33Å; T201-N545 WeakPolarHBondContact CA-OD1 3.46Å; T201-N545 PolarHBondContact OG1-ND2 3.38Å
202	G	93.1	Very high	91.3	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.1	-35.5	171.9	0	0	0	0	0	113.3	G198 L199 S206	G198-G202 PolarHBondContact O-N 3.37Å; L199-G202 PolarHBondContact O-N 3.47Å; L199-G202 VanDerWaalsContact O-N 3.17Å; G202-S206 VanDerWaalsContact O-CB 3.31Å; G202-S206 WeakPolarHBondContact O-CB 3.37Å; G202-S206 PolarHBondContact O-N 3.46Å; G202-S206 PolarHBondContact O-OG 3.5Å
203	I	94.5	Very high	90.2	Very high	24 Å²	24	26.1 Å²	26.1	12%	0.123	14%	0.135	C	C	.	.	H	α-helix	trans	-67.7	-47	173	-68.5	164.6	0	0	0	110.5	L199 L200 T201 L205 S206 A207 L391 F563 Y566	L199-I203 HydrophobicContact CG-CD1 4.46Å; L199-I203 WeakPolarHBondContact O-CG1 3.17Å; L199-I203 PolarHBondContact O-N 2.56Å; L200-I203 PolarHBondContact O-N 3.01Å; T201-I203 VanDerWaalsContact C-N 3.34Å; T201-I203 PolarHBondContact O-N 3.29Å; I203-L205 PolarHBondContact O-N 3.17Å; I203-S206 WeakPolarHBondContact O-CB 3.49Å; I203-S206 PolarHBondContact O-N 3.33Å; I203-A207 PolarHBondContact O-N 2.95Å; I203-L391 HydrophobicContact CG1-CD2 4.24Å; I203-F563 HydrophobicContact CG1-CE1 4.45Å; I203-F563 HydrophobicContact CG2-CD1 4.44Å; I203-F563 HydrophobicContact CG2-CE1 4.22Å; I203-Y566 HydrophobicContact CG2-CD2 4.46Å
204	S	93.9	Very high	89	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-60.9	-42.5	175.1	-60.2	0	0	0	0	112.1	L200 T201 S206 A207 I208 N545 S571	L200-S204 PolarHBondContact O-N 3.04Å; L200-S204 VanDerWaalsContact O-N 3.11Å; L200-S204 PolarHBondContact O-OG 3.05Å; T201-S204 PolarHBondContact O-N 2.91Å; S204-S206 VanDerWaalsContact C-N 3.34Å; S204-S206 PolarHBondContact O-N 3.31Å; S204-A207 WeakPolarHBondContact O-CB 3.31Å; S204-A207 PolarHBondContact O-N 3.42Å; S204-I208 WeakPolarHBondContact O-CG1 3.48Å; S204-I208 PolarHBondContact O-N 2.92Å; S204-N545 WeakPolarHBondContact CB-OD1 3.41Å; S204-N545 PolarHBondContact OG-OD1 2.74Å; S204-S571 WeakPolarHBondContact OG-CB 3.48Å; S204-S571 PolarHBondContact OG-OG 2.94Å
205	L	91.4	Very high	87.7	Confident	1 Å²	1	30 Å²	30	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-63	-39.6	174.7	-179.1	61.6	0	0	0	111.7	T201 I203 A207 I208 C209 V219 M370 A373	T201-L205 VanDerWaalsContact O-CB 3.3Å; T201-L205 WeakPolarHBondContact O-CB 3.39Å; T201-L205 PolarHBondContact O-N 3.13Å; I203-L205 PolarHBondContact O-N 3.17Å; L205-A207 VanDerWaalsContact C-N 3.34Å; L205-A207 PolarHBondContact O-N 2.79Å; L205-I208 PolarHBondContact O-N 3.38Å; L205-C209 WeakPolarHBondContact O-CB 3.27Å; L205-C209 PolarHBondContact O-N 3.24Å; L205-C209 PolarHBondContact O-SG 3.36Å; L205-V219 HydrophobicContact CD1-CG1 3.64Å; L205-V219 HydrophobicContact CD1-CG2 4.26Å; L205-M370 HydrophobicContact CD1-CE 4.41Å; L205-M370 HydrophobicContact CD2-CE 4.22Å; L205-M370 HydrophobicContact CD2-CG 4.22Å; L205-A373 HydrophobicContact CD2-CB 4.06Å
206	S	91.2	Very high	86	Confident	1 Å²	1	34.7 Å²	34.7	1%	0.007	18%	0.184	C	C	.	.	H	α-helix	trans	-64.9	-36.2	175.9	-62.1	0	0	0	0	112.4	G202 I203 S204 T210 P387	G202-S206 VanDerWaalsContact O-CB 3.31Å; G202-S206 WeakPolarHBondContact O-CB 3.37Å; G202-S206 PolarHBondContact O-N 3.46Å; G202-S206 PolarHBondContact O-OG 3.5Å; I203-S206 WeakPolarHBondContact O-CB 3.49Å; I203-S206 PolarHBondContact O-N 3.33Å; S204-S206 VanDerWaalsContact C-N 3.34Å; S204-S206 PolarHBondContact O-N 3.31Å; S206-T210 WeakPolarHBondContact O-CG2 3.44Å; S206-T210 PolarHBondContact O-N 3.34Å; S206-T210 VanDerWaalsContact O-N 3.16Å; S206-T210 PolarHBondContact O-OG1 2.9Å; S206-P387 WeakPolarHBondContact OG-CA 3.32Å; S206-P387 WeakPolarHBondContact OG-CB 3.39Å
207	A	91.6	Very high	84.5	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.5	-47.1	172.9	0	0	0	0	0	111.6	I203 S204 L205 C209 T210 N211 P561 Y566	I203-A207 PolarHBondContact O-N 2.95Å; S204-A207 WeakPolarHBondContact O-CB 3.31Å; S204-A207 PolarHBondContact O-N 3.42Å; L205-A207 VanDerWaalsContact C-N 3.34Å; L205-A207 PolarHBondContact O-N 2.79Å; A207-C209 PolarHBondContact O-N 3Å; A207-T210 PolarHBondContact O-N 3.01Å; A207-T210 PolarHBondContact O-OG1 3.01Å; A207-N211 PolarHBondContact O-N 3.45Å; A207-P561 HydrophobicContact CB-CB 3.7Å; A207-P561 HydrophobicContact CB-CG 4.49Å; A207-P561 WeakPolarHBondContact O-CB 3.36Å; A207-Y566 HydrophobicContact CB-CD1 4.16Å; A207-Y566 HydrophobicContact CB-CD2 3.26Å; A207-Y566 HydrophobicContact CB-CE2 3.72Å; A207-Y566 HydrophobicContact CB-CG 3.5Å; A207-Y566 VanDerWaalsContact CB-CG 3.5Å
208	I	89.4	Confident	83.5	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-60.3	-44.6	175.7	-68.2	162.5	0	0	0	111	S204 L205 T210 N211 I222 I223 T226 L227 I544 C548 F559	S204-I208 WeakPolarHBondContact O-CG1 3.48Å; S204-I208 PolarHBondContact O-N 2.92Å; L205-I208 PolarHBondContact O-N 3.38Å; I208-T210 PolarHBondContact O-N 3.35Å; I208-N211 WeakPolarHBondContact O-CB 3.24Å; I208-N211 PolarHBondContact O-N 3.13Å; I208-I222 HydrophobicContact CG2-CB 4.13Å; I208-I222 HydrophobicContact CG2-CG2 3.55Å; I208-I222 WeakPolarHBondContact O-CG2 3.46Å; I208-I223 HydrophobicContact CG2-CG1 4.25Å; I208-T226 HydrophobicContact CG2-CG2 4.33Å; I208-L227 HydrophobicContact CD1-CD1 3.91Å; I208-I544 HydrophobicContact CD1-CG2 4.04Å; I208-C548 HydrophobicContact CD1-CB 4.31Å; I208-F559 HydrophobicContact CG1-CE2 4.49Å
209	C	87.6	Confident	82.7	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-71.1	-11.5	179.4	-64.3	0	0	0	0	114.8	L205 A207 I386	L205-C209 WeakPolarHBondContact O-CB 3.27Å; L205-C209 PolarHBondContact O-N 3.24Å; L205-C209 PolarHBondContact O-SG 3.36Å; A207-C209 PolarHBondContact O-N 3Å; C209-I386 HydrophobicContact CB-CD1 4.37Å
210	T	88	Confident	82.3	Confident	23 Å²	23	29.5 Å²	29.5	14%	0.141	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	12.7	176.6	55.1	0	0	0	0	113.1	S206 A207 I208 E383 P387 S562 F563	S206-T210 WeakPolarHBondContact O-CG2 3.44Å; S206-T210 PolarHBondContact O-N 3.34Å; S206-T210 VanDerWaalsContact O-N 3.16Å; S206-T210 PolarHBondContact O-OG1 2.9Å; A207-T210 PolarHBondContact O-N 3.01Å; A207-T210 PolarHBondContact O-OG1 3.01Å; I208-T210 PolarHBondContact O-N 3.35Å; T210-E383 WeakPolarHBondContact CG2-O 3.34Å; T210-P387 HydrophobicContact CG2-CG 4.3Å; T210-S562 PolarHBondContact O-N 3Å; T210-S562 PolarHBondContact OG1-N 2.98Å; T210-F563 HydrophobicContact CG2-CB 4.39Å; T210-F563 WeakPolarHBondContact OG1-CB 3.41Å; T210-F563 PolarHBondContact OG1-N 3.27Å
211	N	84.5	Confident	81.6	Confident	30 Å²	30	31.1 Å²	31.1	16%	0.16	17%	0.169	C	C	.	.	S	Bend	trans	-85.3	-17.2	178.5	-171.9	51.1	0	0	0	113.7	A207 I208 T226 G558 F559 R560	A207-N211 PolarHBondContact O-N 3.45Å; I208-N211 WeakPolarHBondContact O-CB 3.24Å; I208-N211 PolarHBondContact O-N 3.13Å; N211-T226 HydrophobicContact CB-CG2 4.21Å; N211-T226 WeakPolarHBondContact ND2-CG2 3.3Å; N211-G558 PolarHBondContact ND2-O 3.07Å; N211-G558 PolarHBondContact OD1-O 3.32Å; N211-F559 WeakPolarHBondContact OD1-CA 3.25Å; N211-R560 PolarHBondContact OD1-N 2.98Å
212	G	75.7	Confident	80.8	Confident	39 Å²	39	31.5 Å²	31.5	40%	0.402	17%	0.171	S	C	.	.	S	Bend	trans	174.1	-175.3	-179.2	0	0	0	0	0	112.8	V214	G212-V214 PolarHBondContact O-N 3.4Å
213	R	70.9	Confident	80.3	Confident	220 Å²	220	31.6 Å²	31.6	83%	0.83	17%	0.171	S	C	*	.			trans	-66.9	114.5	-176.8	-73.5	-172.2	177.5	177	1.4	112
214	V	68.1	Low	79.8	Confident	20 Å²	20	30.5 Å²	30.5	12%	0.121	17%	0.166	C	C	.	.			trans	-73.7	125.1	174.6	177.4	0	0	0	0	110.6	G212 I222 S376 P382 E383	G212-V214 PolarHBondContact O-N 3.4Å; V214-I222 HydrophobicContact CB-CD1 4.2Å; V214-I222 HydrophobicContact CB-CG1 4.31Å; V214-I222 HydrophobicContact CG1-CD1 3.53Å; V214-I222 HydrophobicContact CG1-CG1 3.76Å; V214-I222 HydrophobicContact CG2-CD1 3.66Å; V214-I222 HydrophobicContact CG2-CG1 3.98Å; V214-I222 HydrophobicContact CG2-CG2 4.48Å; V214-S376 WeakPolarHBondContact CG1-OG 3.19Å; V214-P382 HydrophobicContact CB-CB 3.82Å; V214-P382 HydrophobicContact CB-CG 3.63Å; V214-P382 HydrophobicContact CG1-CB 3.82Å; V214-P382 HydrophobicContact CG1-CG 3.99Å; V214-P382 HydrophobicContact CG2-CB 4.2Å; V214-P382 HydrophobicContact CG2-CG 4.33Å; V214-E383 HydrophobicContact CG2-CG 4.35Å
215	Q	65.4	Low	79.2	Confident	106 Å²	106	35.1 Å²	35.1	50%	0.495	18%	0.183	S	C	.	.			trans	-109.7	-177.4	177	-54.2	-170.9	3.8	0	0	112	G217 Y221	Q215-G217 PolarHBondContact O-N 3.2Å; Q215-Y221 HydrophobicContact CB-CD1 4Å; Q215-Y221 HydrophobicContact CB-CE1 3.58Å; Q215-Y221 VanDerWaalsContact CD-OH 3.29Å; Q215-Y221 HydrophobicContact CG-CE1 3.79Å; Q215-Y221 PolarHBondContact OE1-OH 3.03Å; Q215-Y221 VanDerWaalsContact OE1-OH 3.05Å
216	S	58	Low	78.4	Confident	110 Å²	110	36.3 Å²	36.3	77%	0.769	19%	0.19	S	C	*	.	S	Bend	trans	-74.5	21.4	-164.4	62.4	0	0	0	0	117.6
217	G	62	Low	77.7	Confident	20 Å²	20	36.7 Å²	36.7	21%	0.206	19%	0.192	C	C	.	.	S	Bend	trans	-108.6	22.4	-179.6	0	0	0	0	0	115.1	Q215 Y221	Q215-G217 PolarHBondContact O-N 3.2Å; G217-Y221 WeakPolarHBondContact O-CB 3.28Å; G217-Y221 PolarHBondContact O-N 3.05Å
218	G	72.7	Confident	77.2	Confident	8 Å²	8	36.9 Å²	36.9	8%	0.082	19%	0.194	C	C	.	.	H	α-helix	trans	67.2	-159.5	175.6	0	0	0	0	0	113.5	Y220 Y221 I222 N374 S376	G218-Y220 VanDerWaalsContact C-N 3.3Å; G218-Y220 PolarHBondContact O-N 3.08Å; G218-Y221 PolarHBondContact O-N 2.82Å; G218-I222 WeakPolarHBondContact O-CG1 3.35Å; G218-N374 VanDerWaalsContact CA-O 3.22Å; G218-N374 WeakPolarHBondContact CA-O 3.46Å; G218-S376 WeakPolarHBondContact CA-OG 3.45Å; G218-S376 PolarHBondContact O-OG 3.29Å
219	V	76.4	Confident	76.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-59.8	-41.3	176.4	176.5	0	0	0	0	111.6	L205 Y221 I222 I223 M370 A373 N374	L205-V219 HydrophobicContact CD1-CG1 3.64Å; L205-V219 HydrophobicContact CD1-CG2 4.26Å; V219-Y221 VanDerWaalsContact C-N 3.34Å; V219-Y221 PolarHBondContact O-N 2.64Å; V219-I222 PolarHBondContact O-N 2.9Å; V219-I222 VanDerWaalsContact O-N 3.08Å; V219-I223 HydrophobicContact CG1-CD1 3.5Å; V219-I223 VanDerWaalsContact CG1-CD1 3.5Å; V219-I223 HydrophobicContact CG1-CG1 3.9Å; V219-I223 WeakPolarHBondContact O-CG1 3.43Å; V219-I223 PolarHBondContact O-N 3.3Å; V219-M370 HydrophobicContact CB-CE 4.36Å; V219-M370 HydrophobicContact CG1-CE 3.73Å; V219-M370 HydrophobicContact CG2-CE 4.22Å; V219-A373 VanDerWaalsContact CG2-C 3.47Å; V219-A373 HydrophobicContact CG2-CB 3.43Å; V219-A373 VanDerWaalsContact CG2-CB 3.43Å; V219-A373 WeakPolarHBondContact CG2-O 3.41Å; V219-N374 WeakPolarHBondContact CG2-OD1 3.46Å
220	Y	84.2	Confident	76.8	Confident	4 Å²	4	38.5 Å²	38.5	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-58.5	-42.5	-177.3	163.8	-93.2	0	0	0	113.2	G218 I222 I223 S224 G232 L480 A483 I484 D487 L489	G218-Y220 VanDerWaalsContact C-N 3.3Å; G218-Y220 PolarHBondContact O-N 3.08Å; Y220-I222 VanDerWaalsContact C-N 3.29Å; Y220-I222 PolarHBondContact O-N 3.1Å; Y220-I223 PolarHBondContact O-N 3.18Å; Y220-S224 WeakPolarHBondContact O-CB 3.46Å; Y220-S224 PolarHBondContact O-N 2.8Å; Y220-S224 PolarHBondContact O-OG 3.09Å; Y220-G232 WeakPolarHBondContact CD2-O 3.46Å; Y220-G232 WeakPolarHBondContact CE2-O 3.37Å; Y220-L480 HydrophobicContact CD2-CD1 4.13Å; Y220-L480 HydrophobicContact CG-CD1 3.78Å; Y220-A483 HydrophobicContact CD1-CB 3.56Å; Y220-A483 HydrophobicContact CE1-CB 3.93Å; Y220-I484 HydrophobicContact CD1-CG1 4.33Å; Y220-I484 HydrophobicContact CD2-CG1 3.85Å; Y220-I484 HydrophobicContact CE1-CG1 4Å; Y220-I484 HydrophobicContact CE2-CB 4.45Å; Y220-I484 HydrophobicContact CE2-CD1 4.43Å; Y220-I484 HydrophobicContact CE2-CG1 3.46Å; Y220-I484 VanDerWaalsContact CE2-CG1 3.46Å; Y220-I484 HydrophobicContact CG-CG1 4.27Å; Y220-D487 WeakPolarHBondContact CE1-OD2 3.47Å; Y220-D487 PolarHBondContact OH-OD2 2.9Å; Y220-L489 VanDerWaalsContact OH-CD1 3.25Å; Y220-L489 WeakPolarHBondContact OH-CD1 3.29Å
221	Y	81	Confident	76.7	Confident	47 Å²	47	38.1 Å²	38.1	18%	0.184	20%	0.2	C	C	.	.	H	α-helix	trans	-62.8	-37.6	177.2	-178.8	-85.3	0	0	0	112.1	Q215 G217 G218 V219 S224 R225	Q215-Y221 HydrophobicContact CB-CD1 4Å; Q215-Y221 HydrophobicContact CB-CE1 3.58Å; Q215-Y221 VanDerWaalsContact CD-OH 3.29Å; Q215-Y221 HydrophobicContact CG-CE1 3.79Å; Q215-Y221 PolarHBondContact OE1-OH 3.03Å; Q215-Y221 VanDerWaalsContact OE1-OH 3.05Å; G217-Y221 WeakPolarHBondContact O-CB 3.28Å; G217-Y221 PolarHBondContact O-N 3.05Å; G218-Y221 PolarHBondContact O-N 2.82Å; V219-Y221 VanDerWaalsContact C-N 3.34Å; V219-Y221 PolarHBondContact O-N 2.64Å; Y221-S224 PolarHBondContact O-OG 3.45Å; Y221-R225 HydrophobicContact CD1-CG 4.36Å; Y221-R225 HydrophobicContact CD2-CG 4.44Å; Y221-R225 HydrophobicContact CE1-CG 4.02Å; Y221-R225 HydrophobicContact CE2-CG 4.14Å; Y221-R225 WeakPolarHBondContact O-CB 3.36Å; Y221-R225 WeakPolarHBondContact O-CG 3.44Å; Y221-R225 PolarHBondContact O-N 3.36Å
222	I	78.4	Confident	76.9	Confident	9 Å²	9	36.7 Å²	36.7	5%	0.046	19%	0.192	C	C	.	.	H	α-helix	trans	-67.7	-46.3	176.4	-43.9	166.6	0	0	0	109.5	I208 V214 G218 V219 Y220 T226 I386	I208-I222 HydrophobicContact CG2-CB 4.13Å; I208-I222 HydrophobicContact CG2-CG2 3.55Å; I208-I222 WeakPolarHBondContact O-CG2 3.46Å; V214-I222 HydrophobicContact CB-CD1 4.2Å; V214-I222 HydrophobicContact CB-CG1 4.31Å; V214-I222 HydrophobicContact CG1-CD1 3.53Å; V214-I222 HydrophobicContact CG1-CG1 3.76Å; V214-I222 HydrophobicContact CG2-CD1 3.66Å; V214-I222 HydrophobicContact CG2-CG1 3.98Å; V214-I222 HydrophobicContact CG2-CG2 4.48Å; G218-I222 WeakPolarHBondContact O-CG1 3.35Å; V219-I222 PolarHBondContact O-N 2.9Å; V219-I222 VanDerWaalsContact O-N 3.08Å; Y220-I222 VanDerWaalsContact C-N 3.29Å; Y220-I222 PolarHBondContact O-N 3.1Å; I222-T226 WeakPolarHBondContact O-CB 3.47Å; I222-T226 PolarHBondContact O-N 3.39Å; I222-T226 PolarHBondContact O-OG1 3.45Å; I222-I386 HydrophobicContact CD1-CD1 4.5Å
223	I	82.5	Confident	77.5	Confident	2 Å²	2	34.9 Å²	34.9	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-59.7	-52.6	178.1	-69.9	-179.2	0	0	0	111.1	I208 V219 Y220 R225 T226 L227 I235 I544	I208-I223 HydrophobicContact CG2-CG1 4.25Å; V219-I223 HydrophobicContact CG1-CD1 3.5Å; V219-I223 VanDerWaalsContact CG1-CD1 3.5Å; V219-I223 HydrophobicContact CG1-CG1 3.9Å; V219-I223 WeakPolarHBondContact O-CG1 3.43Å; V219-I223 PolarHBondContact O-N 3.3Å; Y220-I223 PolarHBondContact O-N 3.18Å; I223-R225 VanDerWaalsContact C-N 3.35Å; I223-R225 PolarHBondContact O-N 3.41Å; I223-T226 PolarHBondContact O-N 3.38Å; I223-L227 HydrophobicContact CG2-CD1 3.85Å; I223-L227 WeakPolarHBondContact O-CB 3.3Å; I223-L227 PolarHBondContact O-N 2.93Å; I223-I235 HydrophobicContact CD1-CG2 3.98Å; I223-I235 HydrophobicContact CG2-CD1 3.83Å; I223-I544 HydrophobicContact CD1-CD1 4.01Å; I223-I544 HydrophobicContact CD1-CG1 3.86Å
224	S	83.8	Confident	78.4	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.1	-38.1	-173.9	66.9	0	0	0	0	112.7	Y220 Y221 G228 W613	Y220-S224 WeakPolarHBondContact O-CB 3.46Å; Y220-S224 PolarHBondContact O-N 2.8Å; Y220-S224 PolarHBondContact O-OG 3.09Å; Y221-S224 PolarHBondContact O-OG 3.45Å; S224-G228 CarbonylContact O-C 3.59Å; S224-G228 VanDerWaalsContact O-C 3.3Å; S224-G228 VanDerWaalsContact O-CA 3.32Å; S224-G228 WeakPolarHBondContact O-CA 3.06Å; S224-G228 PolarHBondContact O-N 3.38Å; S224-G228 VanDerWaalsContact O-N 3.16Å; S224-W613 VanDerWaalsContact O-CE3 3.23Å
225	R	79.7	Confident	79.5	Confident	98 Å²	98	23.7 Å²	23.7	37%	0.37	13%	0.13	S	C	.	.	H	α-helix	trans	-81	-18.4	177.4	-56.2	-59.5	171.8	129.1	-6.3	114	Y221 I223 D487 W613	Y221-R225 HydrophobicContact CD1-CG 4.36Å; Y221-R225 HydrophobicContact CD2-CG 4.44Å; Y221-R225 HydrophobicContact CE1-CG 4.02Å; Y221-R225 HydrophobicContact CE2-CG 4.14Å; Y221-R225 WeakPolarHBondContact O-CB 3.36Å; Y221-R225 WeakPolarHBondContact O-CG 3.44Å; Y221-R225 PolarHBondContact O-N 3.36Å; I223-R225 VanDerWaalsContact C-N 3.35Å; I223-R225 PolarHBondContact O-N 3.41Å; R225-D487 IonicContact CZ-OD1 3.14Å; R225-D487 IonicContact NH2-OD1 2.79Å; R225-D487 PolarHBondContact NH2-OD1 2.84Å; R225-W613 VanDerWaalsContact CZ-CE2 3.43Å; R225-W613 VanDerWaalsContact NE-CE2 3.33Å; R225-W613 VanDerWaalsContact NH1-NE1 3.16Å
226	T	76.3	Confident	80.7	Confident	25 Å²	25	18.7 Å²	18.7	15%	0.153	11%	0.106	C	C	.	.	H	α-helix	trans	-96.5	-36.1	-179.2	-64.7	0	0	0	0	113.1	I208 N211 I222 I223 F559	I208-T226 HydrophobicContact CG2-CG2 4.33Å; N211-T226 HydrophobicContact CB-CG2 4.21Å; N211-T226 WeakPolarHBondContact ND2-CG2 3.3Å; I222-T226 WeakPolarHBondContact O-CB 3.47Å; I222-T226 PolarHBondContact O-N 3.39Å; I222-T226 PolarHBondContact O-OG1 3.45Å; I223-T226 PolarHBondContact O-N 3.38Å; T226-F559 HydrophobicContact CG2-CD2 3.44Å; T226-F559 VanDerWaalsContact CG2-CD2 3.44Å; T226-F559 HydrophobicContact CG2-CE2 3.42Å; T226-F559 VanDerWaalsContact CG2-CE2 3.42Å
227	L	76.7	Confident	82.3	Confident	10 Å²	10	14.5 Å²	14.5	5%	0.052	8%	0.075	C	C	.	.	H	α-helix	trans	-112	-3.6	-172.3	-55.5	174.5	0	0	0	112.6	I208 I223 F231 A547 A551 F559	I208-L227 HydrophobicContact CD1-CD1 3.91Å; I223-L227 HydrophobicContact CG2-CD1 3.85Å; I223-L227 WeakPolarHBondContact O-CB 3.3Å; I223-L227 PolarHBondContact O-N 2.93Å; L227-F231 HydrophobicContact CB-CB 4.09Å; L227-F231 WeakPolarHBondContact O-CD2 3.49Å; L227-A547 HydrophobicContact CB-CB 4.28Å; L227-A547 HydrophobicContact CD1-CB 3.45Å; L227-A547 VanDerWaalsContact CD1-CB 3.45Å; L227-A547 HydrophobicContact CD2-CB 4.18Å; L227-A547 WeakPolarHBondContact CD2-O 3.12Å; L227-A547 HydrophobicContact CG-CB 4.16Å; L227-A551 HydrophobicContact CD2-CB 3.71Å; L227-F559 HydrophobicContact CD2-CD2 4.41Å; L227-F559 HydrophobicContact CD2-CE2 4.09Å
228	G	79.2	Confident	83.7	Confident	3 Å²	3	13.6 Å²	13.6	3%	0.031	7%	0.066	C	C	.	.			trans	88.1	169	-178.7	0	0	0	0	0	113.9	S224 E230 G232	S224-G228 CarbonylContact O-C 3.59Å; S224-G228 VanDerWaalsContact O-C 3.3Å; S224-G228 VanDerWaalsContact O-CA 3.32Å; S224-G228 WeakPolarHBondContact O-CA 3.06Å; S224-G228 PolarHBondContact O-N 3.38Å; S224-G228 VanDerWaalsContact O-N 3.16Å; G228-E230 VanDerWaalsContact C-N 3.35Å; G228-E230 PolarHBondContact O-N 3.48Å; G228-G232 PolarHBondContact O-N 3.22Å
229	A	84.4	Confident	84.6	Confident	11 Å²	11	13.4 Å²	13.4	9%	0.091	6%	0.063	C	C	.	.	H	α-helix	trans	-65.8	-35.2	-169.5	0	0	0	0	0	114.1	G233 L489 P609 V611 W613	A229-G233 PolarHBondContact O-N 2.88Å; A229-L489 HydrophobicContact CB-CD2 3.91Å; A229-P609 HydrophobicContact CB-CG 4.08Å; A229-V611 HydrophobicContact CB-CG2 3.71Å; A229-W613 HydrophobicContact CB-CE3 3.65Å; A229-W613 HydrophobicContact CB-CZ3 3.66Å
230	E	85.5	Confident	85.3	Confident	24 Å²	24	13.7 Å²	13.7	11%	0.112	6%	0.064	C	C	.	.	H	α-helix	trans	-67.4	-47.3	-175.3	-56.6	157.3	-153.8	0	0	112.1	G228 S234 Y601 L604 L605 S615	G228-E230 VanDerWaalsContact C-N 3.35Å; G228-E230 PolarHBondContact O-N 3.48Å; E230-S234 WeakPolarHBondContact O-CB 3.48Å; E230-S234 PolarHBondContact O-N 3.49Å; E230-S234 PolarHBondContact O-OG 3.22Å; E230-Y601 HydrophobicContact CB-CD2 3.65Å; E230-Y601 HydrophobicContact CB-CE2 3.35Å; E230-Y601 HydrophobicContact CG-CE2 4.3Å; E230-Y601 VanDerWaalsContact OE2-CE2 3.3Å; E230-Y601 WeakPolarHBondContact OE2-CE2 3.31Å; E230-Y601 VanDerWaalsContact OE2-CZ 3.22Å; E230-Y601 PolarHBondContact OE2-OH 3.25Å; E230-L604 HydrophobicContact CB-CB 4.47Å; E230-L604 HydrophobicContact CG-CB 4.35Å; E230-L605 HydrophobicContact CG-CD2 4.32Å; E230-L605 HydrophobicContact CG-CG 4.14Å; E230-L605 WeakPolarHBondContact OE1-CD2 3.39Å; E230-L605 WeakPolarHBondContact OE2-CD2 3.2Å; E230-S615 PolarHBondContact OE1-OG 3.43Å
231	F	85.9	Confident	85.6	Confident	15 Å²	15	16 Å²	16	7%	0.066	8%	0.076	C	C	.	.	H	α-helix	trans	-70.2	-47	173.4	-76	-65.5	0	0	0	111.2	L227 G233 S234 I235 Y546 A547 Y601	L227-F231 HydrophobicContact CB-CB 4.09Å; L227-F231 WeakPolarHBondContact O-CD2 3.49Å; F231-G233 PolarHBondContact O-N 2.9Å; F231-S234 PolarHBondContact O-N 2.71Å; F231-I235 HydrophobicContact CB-CD1 4.28Å; F231-I235 WeakPolarHBondContact O-CB 3.45Å; F231-I235 VanDerWaalsContact O-CG1 3.25Å; F231-I235 WeakPolarHBondContact O-CG1 3.4Å; F231-I235 PolarHBondContact O-N 3Å; F231-Y546 AromaticContact CE1-CD1 3.92Å; F231-Y546 HydrophobicContact CE1-CD1 3.92Å; F231-Y546 HydrophobicContact CE1-CE1 4.16Å; F231-Y546 HydrophobicContact CZ-CD1 4.08Å; F231-Y546 AromaticContact CZ-CE1 3.96Å; F231-Y546 HydrophobicContact CZ-CE1 3.96Å; F231-A547 HydrophobicContact CB-CB 4.18Å; F231-A547 HydrophobicContact CD1-CB 3.66Å; F231-A547 HydrophobicContact CD2-CB 4.02Å; F231-A547 HydrophobicContact CE1-CB 3.97Å; F231-A547 HydrophobicContact CE2-CB 4.3Å; F231-A547 HydrophobicContact CG-CB 3.69Å; F231-A547 HydrophobicContact CZ-CB 4.28Å; F231-Y601 HydrophobicContact CD1-CE2 4.41Å; F231-Y601 HydrophobicContact CD2-CE2 4.48Å; F231-Y601 HydrophobicContact CE1-CE2 4.29Å; F231-Y601 HydrophobicContact CE2-CE2 4.38Å; F231-Y601 HydrophobicContact CZ-CE2 4.28Å
232	G	87.6	Confident	86.1	Confident	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-54.5	-55	-179.7	0	0	0	0	0	112.7	Y220 G228 S234 G236	Y220-G232 WeakPolarHBondContact CD2-O 3.46Å; Y220-G232 WeakPolarHBondContact CE2-O 3.37Å; G228-G232 PolarHBondContact O-N 3.22Å; G232-S234 PolarHBondContact O-N 3.2Å; G232-G236 PolarHBondContact O-N 3.4Å
233	G	88.1	Confident	86.7	Confident	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-61.1	-42.1	-179	0	0	0	0	0	113.7	A229 F231 I237	A229-G233 PolarHBondContact O-N 2.88Å; F231-G233 PolarHBondContact O-N 2.9Å; G233-I237 PolarHBondContact O-N 2.67Å
234	S	90.9	Very high	87.2	Confident	3 Å²	3	13.7 Å²	13.7	2%	0.021	7%	0.068	C	C	.	.	H	α-helix	trans	-67.6	-48.7	178.5	-61.4	0	0	0	0	112.3	E230 F231 G232 G236 I237 I238 Y601	E230-S234 WeakPolarHBondContact O-CB 3.48Å; E230-S234 PolarHBondContact O-N 3.49Å; E230-S234 PolarHBondContact O-OG 3.22Å; F231-S234 PolarHBondContact O-N 2.71Å; G232-S234 PolarHBondContact O-N 3.2Å; S234-G236 VanDerWaalsContact C-N 3.31Å; S234-G236 PolarHBondContact O-N 3.24Å; S234-I237 PolarHBondContact O-N 3.03Å; S234-I238 WeakPolarHBondContact O-CG1 3.23Å; S234-I238 PolarHBondContact O-N 3.36Å; S234-Y601 WeakPolarHBondContact OG-CA 3.34Å; S234-Y601 PolarHBondContact OG-N 3.39Å
235	I	91.6	Very high	87.6	Confident	3 Å²	3	13.8 Å²	13.8	2%	0.015	7%	0.068	C	C	.	.	H	α-helix	trans	-60	-44.5	176.8	-68.9	166.5	0	0	0	110	I223 F231 I237 I238 F239 T540 L543 I544	I223-I235 HydrophobicContact CD1-CG2 3.98Å; I223-I235 HydrophobicContact CG2-CD1 3.83Å; F231-I235 HydrophobicContact CB-CD1 4.28Å; F231-I235 WeakPolarHBondContact O-CB 3.45Å; F231-I235 VanDerWaalsContact O-CG1 3.25Å; F231-I235 WeakPolarHBondContact O-CG1 3.4Å; F231-I235 PolarHBondContact O-N 3Å; I235-I237 PolarHBondContact O-N 2.99Å; I235-I238 PolarHBondContact O-N 2.87Å; I235-F239 WeakPolarHBondContact O-CB 3.28Å; I235-F239 PolarHBondContact O-N 2.85Å; I235-T540 HydrophobicContact CG2-CG2 4.26Å; I235-L543 HydrophobicContact CD1-CB 4Å; I235-L543 HydrophobicContact CG1-CB 3.59Å; I235-L543 HydrophobicContact CG1-CD1 4.12Å; I235-L543 HydrophobicContact CG1-CG 4.48Å; I235-I544 HydrophobicContact CD1-CG1 4.17Å; I235-I544 HydrophobicContact CG2-CD1 4.36Å; I235-I544 HydrophobicContact CG2-CG1 4.04Å
236	G	89.9	Confident	88.2	Confident	1 Å²	1	9.9 Å²	9.9	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-60.2	-43.9	-177.3	0	0	0	0	0	113.7	G232 S234 S240 I484	G232-G236 PolarHBondContact O-N 3.4Å; S234-G236 VanDerWaalsContact C-N 3.31Å; S234-G236 PolarHBondContact O-N 3.24Å; G236-S240 WeakPolarHBondContact O-CB 3.36Å; G236-S240 PolarHBondContact O-N 2.94Å; G236-I484 WeakPolarHBondContact O-CD1 3.4Å
237	I	91.3	Very high	89	Confident	21 Å²	21	8.7 Å²	8.7	11%	0.108	5%	0.05	C	C	.	.	H	α-helix	trans	-66.7	-48	178.9	-70.7	177.6	0	0	0	110.9	G233 S234 I235 F239 S240 L241 I484 F490 F596 L600	G233-I237 PolarHBondContact O-N 2.67Å; S234-I237 PolarHBondContact O-N 3.03Å; I235-I237 PolarHBondContact O-N 2.99Å; I237-F239 VanDerWaalsContact C-N 3.34Å; I237-F239 PolarHBondContact O-N 2.89Å; I237-S240 WeakPolarHBondContact O-CB 3.36Å; I237-S240 PolarHBondContact O-N 3.37Å; I237-L241 HydrophobicContact CG2-CD1 4.44Å; I237-L241 PolarHBondContact O-N 3.01Å; I237-L241 VanDerWaalsContact O-N 3.08Å; I237-I484 HydrophobicContact CG1-CD1 4.31Å; I237-F490 HydrophobicContact CD1-CD2 3.89Å; I237-F490 HydrophobicContact CD1-CE1 4.07Å; I237-F490 HydrophobicContact CD1-CE2 3.39Å; I237-F490 HydrophobicContact CD1-CG 4.42Å; I237-F490 HydrophobicContact CD1-CZ 3.49Å; I237-F490 VanDerWaalsContact CD1-CZ 3.49Å; I237-F490 HydrophobicContact CG1-CE2 4.27Å; I237-F596 HydrophobicContact CG2-CE1 4.14Å; I237-F596 HydrophobicContact CG2-CZ 4.21Å; I237-L600 HydrophobicContact CB-CD1 4.07Å; I237-L600 HydrophobicContact CD1-CD1 4.23Å; I237-L600 HydrophobicContact CD1-CD2 4.1Å; I237-L600 HydrophobicContact CG2-CD1 3.97Å
238	I	92.4	Very high	89.8	Confident	2 Å²	2	8.2 Å²	8.2	1%	0.01	5%	0.048	C	C	.	.	H	α-helix	trans	-63.7	-43	-177.9	-62.4	167.6	0	0	0	110.3	S234 I235 S240 L241 G242 F536 A539 L543 F596 A597	S234-I238 WeakPolarHBondContact O-CG1 3.23Å; S234-I238 PolarHBondContact O-N 3.36Å; I235-I238 PolarHBondContact O-N 2.87Å; I238-S240 VanDerWaalsContact C-N 3.34Å; I238-S240 PolarHBondContact O-N 3.03Å; I238-L241 PolarHBondContact O-N 2.88Å; I238-G242 PolarHBondContact O-N 3.14Å; I238-F536 HydrophobicContact CG2-CD1 4.18Å; I238-A539 HydrophobicContact CG2-CB 4.15Å; I238-L543 HydrophobicContact CD1-CD1 3.71Å; I238-F596 HydrophobicContact CG1-CD1 4.41Å; I238-F596 HydrophobicContact CG1-CE1 4.44Å; I238-A597 HydrophobicContact CD1-CB 3.62Å
239	F	91.2	Very high	90.4	Very high	4 Å²	4	8.6 Å²	8.6	2%	0.018	5%	0.049	C	C	.	.	H	α-helix	trans	-67.5	-33.7	177.1	-174.5	-150.4	0	0	0	112.1	I235 I237 L241 G242 N243 M370 N374 L480 F537 T540	I235-F239 WeakPolarHBondContact O-CB 3.28Å; I235-F239 PolarHBondContact O-N 2.85Å; I237-F239 VanDerWaalsContact C-N 3.34Å; I237-F239 PolarHBondContact O-N 2.89Å; F239-L241 VanDerWaalsContact C-N 3.33Å; F239-L241 PolarHBondContact O-N 3.46Å; F239-G242 PolarHBondContact O-N 3.44Å; F239-N243 VanDerWaalsContact CD2-ND2 3.32Å; F239-N243 WeakPolarHBondContact CD2-ND2 3.46Å; F239-N243 VanDerWaalsContact CE2-ND2 3.27Å; F239-N243 WeakPolarHBondContact CE2-ND2 3.31Å; F239-N243 PolarHBondContact O-N 3.1Å; F239-N243 PolarHBondContact O-ND2 3.12Å; F239-M370 HydrophobicContact CE1-CE 3.85Å; F239-M370 HydrophobicContact CE2-CB 4.46Å; F239-M370 HydrophobicContact CZ-CB 3.86Å; F239-M370 HydrophobicContact CZ-CE 3.86Å; F239-M370 HydrophobicContact CZ-SD 4.2Å; F239-N374 VanDerWaalsContact CE1-OD1 3.31Å; F239-N374 WeakPolarHBondContact CE1-OD1 3.3Å; F239-N374 VanDerWaalsContact CZ-ND2 3.3Å; F239-N374 WeakPolarHBondContact CZ-ND2 3.49Å; F239-L480 HydrophobicContact CB-CD2 3.85Å; F239-L480 HydrophobicContact CD1-CD2 3.44Å; F239-L480 VanDerWaalsContact CD1-CD2 3.44Å; F239-L480 HydrophobicContact CE1-CD2 4.18Å; F239-L480 HydrophobicContact CG-CD2 3.74Å; F239-F537 HydrophobicContact CD2-CE1 4.17Å; F239-F537 HydrophobicContact CE2-CD1 4.44Å; F239-F537 AromaticContact CE2-CE1 3.77Å; F239-F537 HydrophobicContact CE2-CE1 3.77Å; F239-F537 HydrophobicContact CE2-CZ 4.45Å; F239-T540 HydrophobicContact CB-CG2 3.75Å; F239-T540 HydrophobicContact CD2-CG2 4.03Å; F239-T540 HydrophobicContact CG-CG2 3.92Å
240	S	90.2	Very high	90.7	Very high	5 Å²	5	8.7 Å²	8.7	4%	0.035	5%	0.048	C	C	.	.	H	α-helix	trans	-63.5	-38.4	172.6	-171.5	0	0	0	0	112	G236 I237 I238 N243 V244 G477	G236-S240 WeakPolarHBondContact O-CB 3.36Å; G236-S240 PolarHBondContact O-N 2.94Å; I237-S240 WeakPolarHBondContact O-CB 3.36Å; I237-S240 PolarHBondContact O-N 3.37Å; I238-S240 VanDerWaalsContact C-N 3.34Å; I238-S240 PolarHBondContact O-N 3.03Å; S240-N243 PolarHBondContact O-N 3.35Å; S240-V244 WeakPolarHBondContact O-CG2 3.48Å; S240-V244 PolarHBondContact O-N 3.27Å; S240-G477 PolarHBondContact OG-O 3.46Å
241	L	91.2	Very high	91.1	Very high	52 Å²	52	7.6 Å²	7.6	27%	0.272	4%	0.043	S	C	.	.	H	α-helix	trans	-68.7	-37.9	174.5	-66.4	171.7	0	0	0	111.8	I237 I238 F239 N243 V244 T245 F536 F596	I237-L241 HydrophobicContact CG2-CD1 4.44Å; I237-L241 PolarHBondContact O-N 3.01Å; I237-L241 VanDerWaalsContact O-N 3.08Å; I238-L241 PolarHBondContact O-N 2.88Å; F239-L241 VanDerWaalsContact C-N 3.33Å; F239-L241 PolarHBondContact O-N 3.46Å; L241-N243 PolarHBondContact O-N 3.11Å; L241-V244 WeakPolarHBondContact O-CB 3.2Å; L241-V244 PolarHBondContact O-N 2.87Å; L241-T245 PolarHBondContact O-N 3.26Å; L241-T245 PolarHBondContact O-OG1 3.48Å; L241-F536 HydrophobicContact CB-CD2 4.46Å; L241-F536 HydrophobicContact CB-CE1 4.46Å; L241-F536 HydrophobicContact CB-CE2 4.38Å; L241-F536 HydrophobicContact CB-CZ 4.38Å; L241-F536 HydrophobicContact CD1-CE1 4.29Å; L241-F536 HydrophobicContact CD1-CZ 4.43Å; L241-F596 HydrophobicContact CD1-CE1 4.22Å
242	G	91.9	Very high	91.4	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-59.9	-41.9	172.2	0	0	0	0	0	113.4	I238 F239 V244 T245 A246 F537	I238-G242 PolarHBondContact O-N 3.14Å; F239-G242 PolarHBondContact O-N 3.44Å; G242-V244 VanDerWaalsContact C-N 3.32Å; G242-V244 PolarHBondContact O-N 3.13Å; G242-T245 PolarHBondContact O-N 3.35Å; G242-T245 PolarHBondContact O-OG1 2.91Å; G242-A246 WeakPolarHBondContact O-CB 3.32Å; G242-A246 PolarHBondContact O-N 3.21Å; G242-F537 VanDerWaalsContact C-CE2 3.47Å; G242-F537 VanDerWaalsContact O-CE2 3.22Å; G242-F537 WeakPolarHBondContact O-CE2 3.41Å
243	N	91.1	Very high	91.6	Very high	3 Å²	3	6.9 Å²	6.9	2%	0.016	4%	0.04	C	C	.	.	H	α-helix	trans	-67.8	-32.7	175.7	-72	-83.5	0	0	0	112.2	F239 S240 L241 A246 A247 S476	F239-N243 VanDerWaalsContact CD2-ND2 3.32Å; F239-N243 WeakPolarHBondContact CD2-ND2 3.46Å; F239-N243 VanDerWaalsContact CE2-ND2 3.27Å; F239-N243 WeakPolarHBondContact CE2-ND2 3.31Å; F239-N243 PolarHBondContact O-N 3.1Å; F239-N243 PolarHBondContact O-ND2 3.12Å; S240-N243 PolarHBondContact O-N 3.35Å; L241-N243 PolarHBondContact O-N 3.11Å; N243-A246 PolarHBondContact O-N 3.48Å; N243-A247 PolarHBondContact O-N 3.42Å; N243-S476 PolarHBondContact OD1-OG 3.04Å
244	V	92.6	Very high	91.8	Very high	7 Å²	7	8 Å²	8	4%	0.042	5%	0.045	C	C	.	.	H	α-helix	trans	-66.1	-41.7	174.8	165	0	0	0	0	112.1	S240 L241 G242 A247 A248 T513 L516 T517 L520	S240-V244 WeakPolarHBondContact O-CG2 3.48Å; S240-V244 PolarHBondContact O-N 3.27Å; L241-V244 WeakPolarHBondContact O-CB 3.2Å; L241-V244 PolarHBondContact O-N 2.87Å; G242-V244 VanDerWaalsContact C-N 3.32Å; G242-V244 PolarHBondContact O-N 3.13Å; V244-A247 PolarHBondContact O-N 3.04Å; V244-A248 PolarHBondContact O-N 3.06Å; V244-T513 HydrophobicContact CG2-CG2 3.68Å; V244-L516 HydrophobicContact CG1-CB 3.5Å; V244-L516 VanDerWaalsContact CG1-CB 3.5Å; V244-L516 HydrophobicContact CG1-CD1 4.41Å; V244-L516 HydrophobicContact CG2-CD1 4.49Å; V244-T517 PolarHBondContact O-OG1 2.99Å; V244-L520 HydrophobicContact CG1-CD1 3.93Å
245	T	92.1	Very high	91.9	Very high	2 Å²	2	7.9 Å²	7.9	1%	0.012	4%	0.044	C	C	.	.	H	α-helix	trans	-70.2	-32.9	173.9	55.9	0	0	0	0	111.9	L241 G242 A248 I249 L520 M532 I533 F536	L241-T245 PolarHBondContact O-N 3.26Å; L241-T245 PolarHBondContact O-OG1 3.48Å; G242-T245 PolarHBondContact O-N 3.35Å; G242-T245 PolarHBondContact O-OG1 2.91Å; T245-A248 PolarHBondContact O-N 3.01Å; T245-I249 PolarHBondContact O-N 3.24Å; T245-L520 HydrophobicContact CG2-CD1 3.6Å; T245-M532 HydrophobicContact CG2-CE 4.35Å; T245-M532 HydrophobicContact CG2-CG 4.23Å; T245-M532 HydrophobicContact CG2-SD 4.24Å; T245-I533 WeakPolarHBondContact OG1-CB 3.19Å; T245-F536 HydrophobicContact CG2-CD2 4.09Å; T245-F536 HydrophobicContact CG2-CE2 4.12Å
246	A	92	Very high	91.8	Very high	16 Å²	16	9.2 Å²	9.2	13%	0.132	5%	0.05	C	C	.	.	H	α-helix	trans	-63.9	-40.1	173.8	0	0	0	0	0	112.8	G242 N243 A248 I249 T250 A473 I533 F537	G242-A246 WeakPolarHBondContact O-CB 3.32Å; G242-A246 PolarHBondContact O-N 3.21Å; N243-A246 PolarHBondContact O-N 3.48Å; A246-A248 VanDerWaalsContact C-N 3.32Å; A246-I249 WeakPolarHBondContact O-CG2 3.28Å; A246-T250 WeakPolarHBondContact O-CB 3.31Å; A246-T250 VanDerWaalsContact O-CG2 3.32Å; A246-T250 WeakPolarHBondContact O-CG2 3.45Å; A246-T250 PolarHBondContact O-N 3.09Å; A246-T250 PolarHBondContact O-OG1 3.41Å; A246-A473 HydrophobicContact CB-CB 4Å; A246-I533 VanDerWaalsContact CA-CD1 3.45Å; A246-I533 HydrophobicContact CB-CD1 3.69Å; A246-F537 HydrophobicContact CB-CE2 4.34Å; A246-F537 HydrophobicContact CB-CZ 4.49Å
247	A	92.1	Very high	91.9	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.008	5%	0.05	C	C	.	.	H	α-helix	trans	-64.7	-36.5	172.6	0	0	0	0	0	112.1	N243 V244 T250 V251 A473 M474 T517	N243-A247 PolarHBondContact O-N 3.42Å; V244-A247 PolarHBondContact O-N 3.04Å; A247-T250 PolarHBondContact O-OG1 2.96Å; A247-V251 WeakPolarHBondContact O-CB 3.27Å; A247-V251 VanDerWaalsContact O-CG2 3.26Å; A247-V251 WeakPolarHBondContact O-CG2 3.47Å; A247-V251 PolarHBondContact O-N 3.21Å; A247-A473 HydrophobicContact CB-CB 3.95Å; A247-M474 HydrophobicContact CB-CE 4.27Å; A247-M474 HydrophobicContact CB-CG 3.78Å; A247-T517 HydrophobicContact CB-CG2 3.95Å
248	A	93.5	Very high	91.9	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-69	-50.1	179.7	0	0	0	0	0	112.6	V244 T245 A246 T250 V251 L252 T517 L520 V521	V244-A248 PolarHBondContact O-N 3.06Å; T245-A248 PolarHBondContact O-N 3.01Å; A246-A248 VanDerWaalsContact C-N 3.32Å; A248-T250 VanDerWaalsContact C-N 3.29Å; A248-T250 PolarHBondContact O-N 3.08Å; A248-V251 PolarHBondContact O-N 3.14Å; A248-L252 VanDerWaalsContact O-CB 3.29Å; A248-L252 WeakPolarHBondContact O-CB 3.48Å; A248-L252 PolarHBondContact O-N 3.17Å; A248-T517 HydrophobicContact CB-CG2 4.17Å; A248-L520 HydrophobicContact CB-CB 3.53Å; A248-L520 HydrophobicContact CB-CD1 4.08Å; A248-L520 HydrophobicContact CB-CG 4.49Å; A248-V521 HydrophobicContact CB-CG2 4.12Å
249	I	92	Very high	91.8	Very high	10 Å²	10	10.3 Å²	10.3	5%	0.051	6%	0.056	C	C	.	.	H	α-helix	trans	-65.6	-31.8	-177.8	-161.9	172.9	0	0	0	112.5	T245 A246 G253 I526 I529 A530 I533	T245-I249 PolarHBondContact O-N 3.24Å; A246-I249 WeakPolarHBondContact O-CG2 3.28Å; I249-G253 PolarHBondContact O-N 3.47Å; I249-G253 VanDerWaalsContact O-N 3.11Å; I249-I526 HydrophobicContact CD1-CG2 4.02Å; I249-I526 HydrophobicContact CG1-CG2 3.9Å; I249-I529 HydrophobicContact CB-CG2 4.31Å; I249-A530 HydrophobicContact CD1-CB 4.02Å; I249-I533 HydrophobicContact CD1-CG2 4.27Å; I249-I533 HydrophobicContact CG2-CD1 4.14Å
250	T	91.7	Very high	91.6	Very high	13 Å²	13	11.7 Å²	11.7	8%	0.08	7%	0.066	C	C	.	.	H	α-helix	trans	-76.3	-39.9	179	48.9	0	0	0	0	112.8	A246 A247 A248 L252 F254 A470	A246-T250 WeakPolarHBondContact O-CB 3.31Å; A246-T250 VanDerWaalsContact O-CG2 3.32Å; A246-T250 WeakPolarHBondContact O-CG2 3.45Å; A246-T250 PolarHBondContact O-N 3.09Å; A246-T250 PolarHBondContact O-OG1 3.41Å; A247-T250 PolarHBondContact O-OG1 2.96Å; A248-T250 VanDerWaalsContact C-N 3.29Å; A248-T250 PolarHBondContact O-N 3.08Å; T250-L252 VanDerWaalsContact C-N 3.31Å; T250-F254 PolarHBondContact O-N 3.04Å; T250-A470 VanDerWaalsContact OG1-CA 3.32Å; T250-A470 WeakPolarHBondContact OG1-CA 3.45Å; T250-A470 WeakPolarHBondContact OG1-CB 3.49Å
251	V	93.8	Very high	91.5	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.006	8%	0.075	C	C	.	.	H	α-helix	trans	-62.9	-39.6	169.3	167.9	0	0	0	0	111.3	A247 A248 F254 A255 G281 T284 A285 L288 A470 M474 V521	A247-V251 WeakPolarHBondContact O-CB 3.27Å; A247-V251 VanDerWaalsContact O-CG2 3.26Å; A247-V251 WeakPolarHBondContact O-CG2 3.47Å; A247-V251 PolarHBondContact O-N 3.21Å; A248-V251 PolarHBondContact O-N 3.14Å; V251-F254 WeakPolarHBondContact O-CB 3.36Å; V251-F254 PolarHBondContact O-N 2.8Å; V251-A255 PolarHBondContact O-N 3.04Å; V251-A255 VanDerWaalsContact O-N 3.07Å; V251-G281 VanDerWaalsContact CG1-O 3.24Å; V251-G281 WeakPolarHBondContact CG1-O 3.3Å; V251-T284 HydrophobicContact CG1-CG2 4.3Å; V251-A285 HydrophobicContact CG1-CB 4.3Å; V251-L288 HydrophobicContact CG2-CD1 3.7Å; V251-A470 HydrophobicContact CG2-CB 3.98Å; V251-M474 HydrophobicContact CG2-CE 4.02Å; V251-V521 HydrophobicContact CB-CG2 4.35Å; V251-V521 HydrophobicContact CG1-CG2 4.1Å
252	L	93	Very high	91.4	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-66.8	-39.8	-178.3	-167	62.3	0	0	0	112.2	A248 T250 F254 A255 E256 I277 I526 I529	A248-L252 VanDerWaalsContact O-CB 3.29Å; A248-L252 WeakPolarHBondContact O-CB 3.48Å; A248-L252 PolarHBondContact O-N 3.17Å; T250-L252 VanDerWaalsContact C-N 3.31Å; L252-F254 PolarHBondContact O-N 2.88Å; L252-A255 PolarHBondContact O-N 3.46Å; L252-E256 PolarHBondContact O-N 3.32Å; L252-I277 HydrophobicContact CD1-CG2 3.29Å; L252-I277 HydrophobicContact CG-CG2 4.28Å; L252-I526 HydrophobicContact CB-CG1 4.12Å; L252-I526 HydrophobicContact CD2-CB 4.43Å; L252-I526 HydrophobicContact CD2-CG1 3.65Å; L252-I526 HydrophobicContact CG-CG1 3.73Å; L252-I529 HydrophobicContact CD2-CD1 3.8Å
253	G	90.1	Very high	91.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.3	-32.7	173.2	0	0	0	0	0	114.8	I249 T257	I249-G253 PolarHBondContact O-N 3.47Å; I249-G253 VanDerWaalsContact O-N 3.11Å; G253-T257 PolarHBondContact O-N 3.41Å; G253-T257 VanDerWaalsContact O-N 3.09Å; G253-T257 PolarHBondContact O-OG1 2.75Å
254	F	92.9	Very high	90.7	Very high	24 Å²	24	20.8 Å²	20.8	11%	0.105	13%	0.126	C	C	.	.	H	α-helix	trans	-62.6	-45.2	169.5	-179.9	-102.7	0	0	0	110.9	T250 V251 L252 T257 I258 T284 F463 S466 L467	T250-F254 PolarHBondContact O-N 3.04Å; V251-F254 WeakPolarHBondContact O-CB 3.36Å; V251-F254 PolarHBondContact O-N 2.8Å; L252-F254 PolarHBondContact O-N 2.88Å; F254-T257 PolarHBondContact O-N 3.35Å; F254-I258 HydrophobicContact CD1-CD1 3.83Å; F254-I258 HydrophobicContact CE1-CD1 3.29Å; F254-I258 HydrophobicContact CE1-CG1 4.4Å; F254-I258 HydrophobicContact CE2-CD1 4.24Å; F254-I258 HydrophobicContact CZ-CD1 3.53Å; F254-I258 HydrophobicContact CZ-CG1 4.46Å; F254-I258 PolarHBondContact O-N 2.97Å; F254-T284 HydrophobicContact CD1-CG2 3.47Å; F254-T284 VanDerWaalsContact CD1-CG2 3.47Å; F254-T284 WeakPolarHBondContact CD1-OG1 3.24Å; F254-T284 HydrophobicContact CE1-CG2 3.7Å; F254-T284 WeakPolarHBondContact CE1-OG1 3.27Å; F254-T284 HydrophobicContact CG-CG2 4.34Å; F254-F463 HydrophobicContact CD2-CB 4.39Å; F254-F463 AromaticContact CD2-CD1 3.58Å; F254-F463 HydrophobicContact CD2-CD1 3.58Å; F254-F463 HydrophobicContact CD2-CE1 4.17Å; F254-F463 HydrophobicContact CD2-CG 4.22Å; F254-F463 HydrophobicContact CE2-CB 4.01Å; F254-F463 AromaticContact CE2-CD1 3.45Å; F254-F463 HydrophobicContact CE2-CD1 3.45Å; F254-F463 VanDerWaalsContact CE2-CD1 3.45Å; F254-F463 HydrophobicContact CE2-CD2 4.5Å; F254-F463 AromaticContact CE2-CE1 3.97Å; F254-F463 HydrophobicContact CE2-CE1 3.97Å; F254-F463 AromaticContact CE2-CG 3.75Å; F254-F463 HydrophobicContact CE2-CG 3.75Å; F254-S466 WeakPolarHBondContact CD2-OG 3.45Å; F254-L467 HydrophobicContact CD1-CD2 4.27Å; F254-L467 HydrophobicContact CD2-CD1 4.34Å; F254-L467 HydrophobicContact CD2-CD2 3.9Å; F254-L467 HydrophobicContact CD2-CG 3.92Å; F254-L467 HydrophobicContact CE1-CD2 4.25Å; F254-L467 HydrophobicContact CE2-CD1 3.78Å; F254-L467 HydrophobicContact CE2-CD2 3.92Å; F254-L467 HydrophobicContact CE2-CG 3.87Å; F254-L467 HydrophobicContact CG-CD2 4.07Å; F254-L467 HydrophobicContact CZ-CD1 4.2Å; F254-L467 HydrophobicContact CZ-CD2 4.08Å; F254-L467 HydrophobicContact CZ-CG 4.44Å
255	A	93.4	Very high	90.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.9	-43.4	178.4	0	0	0	0	0	112.7	V251 L252 T257 I258 V259 I277 I280	V251-A255 PolarHBondContact O-N 3.04Å; V251-A255 VanDerWaalsContact O-N 3.07Å; L252-A255 PolarHBondContact O-N 3.46Å; A255-T257 VanDerWaalsContact C-N 3.31Å; A255-T257 PolarHBondContact O-N 3.33Å; A255-I258 PolarHBondContact O-N 3.4Å; A255-V259 WeakPolarHBondContact O-CG2 3.41Å; A255-V259 PolarHBondContact O-N 3.3Å; A255-I277 HydrophobicContact CB-CG2 4.18Å; A255-I277 VanDerWaalsContact CB-O 3.31Å; A255-I277 WeakPolarHBondContact CB-O 3.15Å; A255-I280 HydrophobicContact CB-CB 4.04Å; A255-I280 HydrophobicContact CB-CG2 3.82Å
256	E	90	Very high	90	Very high	31 Å²	31	32.7 Å²	32.7	15%	0.145	20%	0.195	C	C	.	.	H	α-helix	trans	-57.4	-43.2	174.1	-173	-179.5	133.6	0	0	111.6	R174 L252 I258 V259 S260 I277 Y445 I526	R174-E256 IonicContact CZ-OE1 2.93Å; R174-E256 VanDerWaalsContact CZ-OE1 3.32Å; R174-E256 IonicContact CZ-OE2 3.28Å; R174-E256 IonicContact NH1-OE1 3.85Å; R174-E256 PolarHBondContact NH1-OE1 3.45Å; R174-E256 IonicContact NH1-OE2 3.74Å; R174-E256 VanDerWaalsContact NH2-CD 3.3Å; R174-E256 IonicContact NH2-OE1 2.67Å; R174-E256 PolarHBondContact NH2-OE1 3.11Å; R174-E256 IonicContact NH2-OE2 3.32Å; R174-E256 PolarHBondContact NH2-OE2 2.85Å; L252-E256 PolarHBondContact O-N 3.32Å; E256-I258 PolarHBondContact O-N 3.03Å; E256-V259 PolarHBondContact O-N 3.47Å; E256-S260 WeakPolarHBondContact O-CB 3.48Å; E256-S260 PolarHBondContact O-N 3.02Å; E256-I277 HydrophobicContact CB-CD1 4.4Å; E256-I277 HydrophobicContact CG-CD1 4.39Å; E256-Y445 WeakPolarHBondContact OE1-CD2 3.32Å; E256-I526 WeakPolarHBondContact OE2-CD1 3.14Å
257	T	90.5	Very high	89.8	Confident	2 Å²	2	35.5 Å²	35.5	1%	0.012	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-42.5	176.7	-49.9	0	0	0	0	111.6	G253 F254 A255 L261 T459 I462 F463	G253-T257 PolarHBondContact O-N 3.41Å; G253-T257 VanDerWaalsContact O-N 3.09Å; G253-T257 PolarHBondContact O-OG1 2.75Å; F254-T257 PolarHBondContact O-N 3.35Å; A255-T257 VanDerWaalsContact C-N 3.31Å; A255-T257 PolarHBondContact O-N 3.33Å; T257-L261 HydrophobicContact CG2-CD1 4.28Å; T257-L261 VanDerWaalsContact O-CG 3.28Å; T257-L261 WeakPolarHBondContact O-CG 3.49Å; T257-L261 PolarHBondContact O-N 2.6Å; T257-T459 HydrophobicContact CG2-CG2 4.42Å; T257-I462 HydrophobicContact CG2-CB 4.39Å; T257-I462 HydrophobicContact CG2-CD1 4.27Å; T257-I462 HydrophobicContact CG2-CG2 3.87Å; T257-I462 WeakPolarHBondContact OG1-CG2 3.45Å; T257-F463 HydrophobicContact CG2-CD1 4.33Å; T257-F463 HydrophobicContact CG2-CE1 3.71Å
258	I	92.1	Very high	89.6	Confident	40 Å²	40	41.8 Å²	41.8	21%	0.205	24%	0.24	C	C	.	.	H	α-helix	trans	-65.1	-46.1	177.1	-69.1	177.2	0	0	0	111.1	F254 A255 E256 S260 L261 M262 I280 F463	F254-I258 HydrophobicContact CD1-CD1 3.83Å; F254-I258 HydrophobicContact CE1-CD1 3.29Å; F254-I258 HydrophobicContact CE1-CG1 4.4Å; F254-I258 HydrophobicContact CE2-CD1 4.24Å; F254-I258 HydrophobicContact CZ-CD1 3.53Å; F254-I258 HydrophobicContact CZ-CG1 4.46Å; F254-I258 PolarHBondContact O-N 2.97Å; A255-I258 PolarHBondContact O-N 3.4Å; E256-I258 PolarHBondContact O-N 3.03Å; I258-S260 VanDerWaalsContact C-N 3.31Å; I258-S260 PolarHBondContact O-N 3.39Å; I258-L261 PolarHBondContact O-N 2.87Å; I258-M262 HydrophobicContact CG2-CG 4.15Å; I258-M262 HydrophobicContact CG2-SD 3.82Å; I258-M262 VanDerWaalsContact O-CG 3.28Å; I258-M262 WeakPolarHBondContact O-CG 3.43Å; I258-M262 PolarHBondContact O-N 3.48Å; I258-I280 HydrophobicContact CB-CD1 4.46Å; I258-I280 HydrophobicContact CB-CG2 4.27Å; I258-I280 HydrophobicContact CD1-CG2 3.95Å; I258-I280 HydrophobicContact CG2-CD1 3.84Å; I258-I280 HydrophobicContact CG2-CG2 4.34Å; I258-F463 HydrophobicContact CG1-CE1 3.99Å; I258-F463 HydrophobicContact CG1-CZ 4.09Å
259	V	90.9	Very high	89.1	Confident	5 Å²	5	45.9 Å²	45.9	3%	0.03	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-41.6	179.5	173.9	0	0	0	0	111	A255 E256 L261 M262 Q263 G272 D276 I277 I280	A255-V259 WeakPolarHBondContact O-CG2 3.41Å; A255-V259 PolarHBondContact O-N 3.3Å; E256-V259 PolarHBondContact O-N 3.47Å; V259-L261 PolarHBondContact O-N 3.3Å; V259-M262 PolarHBondContact O-N 3.01Å; V259-M262 VanDerWaalsContact O-N 3.16Å; V259-Q263 WeakPolarHBondContact O-CG 3.19Å; V259-Q263 PolarHBondContact O-N 3.29Å; V259-G272 VanDerWaalsContact CG1-O 3.25Å; V259-G272 WeakPolarHBondContact CG1-O 3.29Å; V259-D276 HydrophobicContact CG1-CB 4.48Å; V259-D276 HydrophobicContact CG2-CB 3.86Å; V259-I277 HydrophobicContact CB-CG1 4.02Å; V259-I277 HydrophobicContact CG1-CG1 4.35Å; V259-I277 HydrophobicContact CG2-CG1 3.72Å; V259-I280 HydrophobicContact CG2-CD1 3.53Å
260	S	86.7	Confident	88.9	Confident	33 Å²	33	50 Å²	50	23%	0.231	29%	0.286	C	S	.	.	H	α-helix	trans	-62.3	-39.7	175.3	-176.3	0	0	0	0	112.8	E256 I258 G264 Q446	E256-S260 WeakPolarHBondContact O-CB 3.48Å; E256-S260 PolarHBondContact O-N 3.02Å; I258-S260 VanDerWaalsContact C-N 3.31Å; I258-S260 PolarHBondContact O-N 3.39Å; S260-G264 PolarHBondContact O-N 3.06Å; S260-G264 VanDerWaalsContact O-N 3.1Å; S260-Q446 VanDerWaalsContact OG-CD 3.32Å; S260-Q446 PolarHBondContact OG-NE2 3.42Å; S260-Q446 PolarHBondContact OG-OE1 3Å
261	L	88.2	Confident	88.6	Confident	43 Å²	43	52.4 Å²	52.4	23%	0.225	30%	0.298	C	S	.	.	H	α-helix	trans	-65.9	-39.4	172.2	-68.8	164.5	0	0	0	112.2	T257 I258 V259 G264 F265 T459 F463	T257-L261 HydrophobicContact CG2-CD1 4.28Å; T257-L261 VanDerWaalsContact O-CG 3.28Å; T257-L261 WeakPolarHBondContact O-CG 3.49Å; T257-L261 PolarHBondContact O-N 2.6Å; I258-L261 PolarHBondContact O-N 2.87Å; V259-L261 PolarHBondContact O-N 3.3Å; L261-G264 WeakPolarHBondContact O-CA 3.48Å; L261-G264 PolarHBondContact O-N 3.21Å; L261-G264 VanDerWaalsContact O-N 3.15Å; L261-F265 WeakPolarHBondContact O-CD2 3.48Å; L261-F265 PolarHBondContact O-N 3.26Å; L261-F265 VanDerWaalsContact O-N 3.17Å; L261-T459 HydrophobicContact CD1-CG2 3.64Å; L261-T459 HydrophobicContact CD2-CG2 4.06Å; L261-T459 HydrophobicContact CG-CG2 4.36Å; L261-F463 HydrophobicContact CD1-CE1 4.26Å; L261-F463 HydrophobicContact CD1-CE2 4.49Å; L261-F463 HydrophobicContact CD1-CZ 3.6Å
262	M	89.6	Confident	87.9	Confident	40 Å²	40	52.5 Å²	52.5	20%	0.197	30%	0.3	C	S	.	.	H	α-helix	trans	-64.6	-42.7	178.1	-72	-179.6	60.3	0	0	111.9	I258 V259 G264 F265 A266 V267 I269 I280	I258-M262 HydrophobicContact CG2-CG 4.15Å; I258-M262 HydrophobicContact CG2-SD 3.82Å; I258-M262 VanDerWaalsContact O-CG 3.28Å; I258-M262 WeakPolarHBondContact O-CG 3.43Å; I258-M262 PolarHBondContact O-N 3.48Å; V259-M262 PolarHBondContact O-N 3.01Å; V259-M262 VanDerWaalsContact O-N 3.16Å; M262-G264 VanDerWaalsContact C-N 3.28Å; M262-G264 PolarHBondContact O-N 2.9Å; M262-F265 CarbonylContact O-C 3.54Å; M262-F265 WeakPolarHBondContact O-CA 3.49Å; M262-F265 PolarHBondContact O-N 3.39Å; M262-A266 PolarHBondContact O-N 3.4Å; M262-A266 VanDerWaalsContact O-N 3.13Å; M262-V267 CarbonylContact C-O 3.48Å; M262-V267 HydrophobicContact CB-CB 4.47Å; M262-V267 WeakPolarHBondContact CB-O 3.3Å; M262-V267 HydrophobicContact CE-CB 4.3Å; M262-V267 HydrophobicContact CE-CG1 3.75Å; M262-V267 PolarHBondContact O-N 3.02Å; M262-I269 HydrophobicContact CE-CD1 3.96Å; M262-I269 HydrophobicContact CE-CG1 3.54Å; M262-I269 HydrophobicContact SD-CD1 4.4Å; M262-I280 HydrophobicContact SD-CD1 4.01Å
263	Q	85.3	Confident	87.5	Confident	101 Å²	101	54.4 Å²	54.4	47%	0.472	32%	0.315	S	S	.	.	H	α-helix	trans	-56.4	-41.9	169.3	-70.7	173.5	-10.9	0	0	111.5	V259 F265 A266 G272	V259-Q263 WeakPolarHBondContact O-CG 3.19Å; V259-Q263 PolarHBondContact O-N 3.29Å; Q263-F265 PolarHBondContact O-N 3.27Å; Q263-A266 PolarHBondContact O-N 3.08Å; Q263-G272 PolarHBondContact NE2-O 2.73Å
264	G	81.6	Confident	87.3	Confident	67 Å²	67	57.7 Å²	57.7	69%	0.691	34%	0.336	S	S	*	.	H	α-helix	trans	-60.8	-24.4	174.8	0	0	0	0	0	114.7	S260 L261 M262	S260-G264 PolarHBondContact O-N 3.06Å; S260-G264 VanDerWaalsContact O-N 3.1Å; L261-G264 WeakPolarHBondContact O-CA 3.48Å; L261-G264 PolarHBondContact O-N 3.21Å; L261-G264 VanDerWaalsContact O-N 3.15Å; M262-G264 VanDerWaalsContact C-N 3.28Å; M262-G264 PolarHBondContact O-N 2.9Å
265	F	87.4	Confident	87.2	Confident	163 Å²	163	60.2 Å²	60.2	72%	0.715	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	8.7	172	-67.2	-67.4	0	0	0	113.7	L261 M262 Q263 V267	L261-F265 WeakPolarHBondContact O-CD2 3.48Å; L261-F265 PolarHBondContact O-N 3.26Å; L261-F265 VanDerWaalsContact O-N 3.17Å; M262-F265 CarbonylContact O-C 3.54Å; M262-F265 WeakPolarHBondContact O-CA 3.49Å; M262-F265 PolarHBondContact O-N 3.39Å; Q263-F265 PolarHBondContact O-N 3.27Å; F265-V267 VanDerWaalsContact C-N 3.31Å; F265-V267 HydrophobicContact CB-CG2 4.24Å; F265-V267 PolarHBondContact O-N 2.92Å
266	A	83.6	Confident	87.2	Confident	95 Å²	95	60.2 Å²	60.2	79%	0.785	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	40.5	-174.3	0	0	0	0	0	113.9	M262 Q263	M262-A266 PolarHBondContact O-N 3.4Å; M262-A266 VanDerWaalsContact O-N 3.13Å; Q263-A266 PolarHBondContact O-N 3.08Å
267	V	88	Confident	87.3	Confident	75 Å²	75	59.9 Å²	59.9	46%	0.455	35%	0.348	S	S	.	.			trans	-114.7	128.6	175.7	-174.8	0	0	0	0	109.8	M262 F265	M262-V267 CarbonylContact C-O 3.48Å; M262-V267 HydrophobicContact CB-CB 4.47Å; M262-V267 WeakPolarHBondContact CB-O 3.3Å; M262-V267 HydrophobicContact CE-CB 4.3Å; M262-V267 HydrophobicContact CE-CG1 3.75Å; M262-V267 PolarHBondContact O-N 3.02Å; F265-V267 VanDerWaalsContact C-N 3.31Å; F265-V267 HydrophobicContact CB-CG2 4.24Å; F265-V267 PolarHBondContact O-N 2.92Å
268	E	86.3	Confident	87.5	Confident	133 Å²	133	63 Å²	63	62%	0.621	36%	0.359	S	S	*	.			trans	-127.4	146.5	174.7	-62.5	176.9	174.7	0	0	108.8
269	I	84.9	Confident	87.6	Confident	87 Å²	87	63.2 Å²	63.2	45%	0.446	36%	0.361	S	S	.	.	S	Bend	trans	-93.2	-49.6	178.2	-49.2	179.4	0	0	0	110.1	M262 D276 I280	M262-I269 HydrophobicContact CE-CD1 3.96Å; M262-I269 HydrophobicContact CE-CG1 3.54Å; M262-I269 HydrophobicContact SD-CD1 4.4Å; I269-D276 PolarHBondContact N-OD2 2.79Å; I269-I280 HydrophobicContact CD1-CD1 4Å; I269-I280 HydrophobicContact CD1-CG1 4.13Å
270	V	87.1	Confident	87.7	Confident	97 Å²	97	63.7 Å²	63.7	59%	0.588	36%	0.363	S	S	*	.	S	Bend	trans	-136.7	-56.7	-178.8	-171.6	0	0	0	0	111.5	M275 D276 I279	V270-M275 HydrophobicContact CB-CG 4.3Å; V270-M275 HydrophobicContact CG1-CG 4.31Å; V270-M275 HydrophobicContact CG2-CG 4.48Å; V270-D276 WeakPolarHBondContact CA-OD1 3.35Å; V270-D276 VanDerWaalsContact CB-OD1 3.3Å; V270-D276 WeakPolarHBondContact CB-OD1 3.22Å; V270-D276 PolarHBondContact N-OD1 3.19Å; V270-D276 PolarHBondContact N-OD2 2.71Å; V270-I279 HydrophobicContact CG2-CD1 3.75Å
271	D	85.4	Confident	88.1	Confident	62 Å²	62	62.1 Å²	62.1	33%	0.332	35%	0.352	S	S	.	.	S	Bend	trans	-128.8	-2.3	-174.5	75.4	-17.7	0	0	0	114.2	A273 T274 M275 D276	D271-A273 WeakPolarHBondContact O-CB 3.41Å; D271-A273 PolarHBondContact O-N 2.71Å; D271-A273 WeakPolarHBondContact OD1-CA 3.49Å; D271-A273 PolarHBondContact OD1-N 2.72Å; D271-T274 PolarHBondContact OD2-N 3.46Å; D271-M275 HydrophobicContact CB-CB 4.4Å; D271-M275 VanDerWaalsContact CG-CB 3.49Å; D271-M275 WeakPolarHBondContact OD1-CB 3.1Å; D271-M275 PolarHBondContact OD1-N 3.24Å; D271-M275 VanDerWaalsContact OD1-N 3.08Å; D271-M275 WeakPolarHBondContact OD2-CB 3.15Å; D271-M275 PolarHBondContact OD2-N 3.47Å; D271-D276 PolarHBondContact N-OD1 3.25Å; D271-D276 VanDerWaalsContact N-OD1 3.12Å; D271-D276 PolarHBondContact OD1-N 3.38Å
272	G	78.9	Confident	88.4	Confident	3 Å²	3	65.1 Å²	65.1	3%	0.031	36%	0.36	C	S	.	.	S	Bend	trans	61	11.6	-173.7	0	0	0	0	0	113.7	V259 Q263 D276	V259-G272 VanDerWaalsContact CG1-O 3.25Å; V259-G272 WeakPolarHBondContact CG1-O 3.29Å; Q263-G272 PolarHBondContact NE2-O 2.73Å; G272-D276 WeakPolarHBondContact CA-OD2 3.48Å; G272-D276 PolarHBondContact N-OD2 3.49Å
273	A	83.7	Confident	88.7	Confident	41 Å²	41	68 Å²	68	34%	0.339	38%	0.375	S	S	.	.	S	Bend	trans	-145.4	-125.1	-164.5	0	0	0	0	0	111.3	D271 M275 D276 I277	D271-A273 WeakPolarHBondContact O-CB 3.41Å; D271-A273 PolarHBondContact O-N 2.71Å; D271-A273 WeakPolarHBondContact OD1-CA 3.49Å; D271-A273 PolarHBondContact OD1-N 2.72Å; A273-M275 PolarHBondContact O-N 3.39Å; A273-D276 PolarHBondContact O-N 2.98Å; A273-I277 WeakPolarHBondContact O-CB 3.48Å; A273-I277 VanDerWaalsContact O-CG1 3.23Å; A273-I277 WeakPolarHBondContact O-CG1 3.27Å; A273-I277 PolarHBondContact O-N 2.82Å
274	T	87.2	Confident	89.1	Confident	69 Å²	69	63.9 Å²	63.9	42%	0.423	36%	0.357	S	S	.	.	H	α-helix	trans	-69.3	-29.7	-168	66.8	0	0	0	0	113.7	D271 R278	D271-T274 PolarHBondContact OD2-N 3.46Å; T274-R278 WeakPolarHBondContact O-CD 3.44Å; T274-R278 VanDerWaalsContact O-CG 3.22Å; T274-R278 WeakPolarHBondContact O-CG 3.47Å; T274-R278 PolarHBondContact O-N 2.69Å
275	M	91	Very high	89.7	Confident	77 Å²	77	60.7 Å²	60.7	38%	0.379	32%	0.324	S	S	.	.	H	α-helix	trans	-73.9	-44.9	176.3	-169.5	62.4	74.8	0	0	110.5	V270 D271 A273 I277 R278 I279	V270-M275 HydrophobicContact CB-CG 4.3Å; V270-M275 HydrophobicContact CG1-CG 4.31Å; V270-M275 HydrophobicContact CG2-CG 4.48Å; D271-M275 HydrophobicContact CB-CB 4.4Å; D271-M275 VanDerWaalsContact CG-CB 3.49Å; D271-M275 WeakPolarHBondContact OD1-CB 3.1Å; D271-M275 PolarHBondContact OD1-N 3.24Å; D271-M275 VanDerWaalsContact OD1-N 3.08Å; D271-M275 WeakPolarHBondContact OD2-CB 3.15Å; D271-M275 PolarHBondContact OD2-N 3.47Å; A273-M275 PolarHBondContact O-N 3.39Å; M275-I277 VanDerWaalsContact C-N 3.32Å; M275-I277 PolarHBondContact O-N 2.61Å; M275-R278 WeakPolarHBondContact O-CB 3.3Å; M275-R278 PolarHBondContact O-N 3.37Å; M275-R278 VanDerWaalsContact O-N 3.1Å; M275-I279 HydrophobicContact CG-CD1 3.89Å; M275-I279 HydrophobicContact CG-CG1 4.45Å; M275-I279 WeakPolarHBondContact O-CG1 3.39Å; M275-I279 PolarHBondContact O-N 3.28Å
276	D	92.5	Very high	90	Very high	1 Å²	1	56 Å²	56	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-61.4	-42.7	178.8	-70.1	11.8	0	0	0	110.9	V259 I269 V270 D271 G272 A273 R278 I279 I280	V259-D276 HydrophobicContact CG1-CB 4.48Å; V259-D276 HydrophobicContact CG2-CB 3.86Å; I269-D276 PolarHBondContact N-OD2 2.79Å; V270-D276 WeakPolarHBondContact CA-OD1 3.35Å; V270-D276 VanDerWaalsContact CB-OD1 3.3Å; V270-D276 WeakPolarHBondContact CB-OD1 3.22Å; V270-D276 PolarHBondContact N-OD1 3.19Å; V270-D276 PolarHBondContact N-OD2 2.71Å; D271-D276 PolarHBondContact N-OD1 3.25Å; D271-D276 VanDerWaalsContact N-OD1 3.12Å; D271-D276 PolarHBondContact OD1-N 3.38Å; G272-D276 WeakPolarHBondContact CA-OD2 3.48Å; G272-D276 PolarHBondContact N-OD2 3.49Å; A273-D276 PolarHBondContact O-N 2.98Å; D276-R278 PolarHBondContact O-N 3.11Å; D276-I279 PolarHBondContact O-N 3.47Å; D276-I280 WeakPolarHBondContact O-CB 3.5Å; D276-I280 WeakPolarHBondContact O-CG1 3.18Å; D276-I280 PolarHBondContact O-N 3.43Å
277	I	92.1	Very high	90.4	Very high	23 Å²	23	55.4 Å²	55.4	12%	0.118	30%	0.295	C	S	.	.	H	α-helix	trans	-57.3	-44.9	172.9	-71.5	173.3	0	0	0	111.3	L252 A255 E256 V259 A273 M275 G281	L252-I277 HydrophobicContact CD1-CG2 3.29Å; L252-I277 HydrophobicContact CG-CG2 4.28Å; A255-I277 HydrophobicContact CB-CG2 4.18Å; A255-I277 VanDerWaalsContact CB-O 3.31Å; A255-I277 WeakPolarHBondContact CB-O 3.15Å; E256-I277 HydrophobicContact CB-CD1 4.4Å; E256-I277 HydrophobicContact CG-CD1 4.39Å; V259-I277 HydrophobicContact CB-CG1 4.02Å; V259-I277 HydrophobicContact CG1-CG1 4.35Å; V259-I277 HydrophobicContact CG2-CG1 3.72Å; A273-I277 WeakPolarHBondContact O-CB 3.48Å; A273-I277 VanDerWaalsContact O-CG1 3.23Å; A273-I277 WeakPolarHBondContact O-CG1 3.27Å; A273-I277 PolarHBondContact O-N 2.82Å; M275-I277 VanDerWaalsContact C-N 3.32Å; M275-I277 PolarHBondContact O-N 2.61Å; I277-G281 PolarHBondContact O-N 3.07Å
278	R	94.6	Very high	90.5	Very high	68 Å²	68	52.1 Å²	52.1	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-65.3	-44.5	178.3	-73.2	164.9	179.8	147	4.8	112.1	T274 M275 D276 G281 W282 G522 I523	T274-R278 WeakPolarHBondContact O-CD 3.44Å; T274-R278 VanDerWaalsContact O-CG 3.22Å; T274-R278 WeakPolarHBondContact O-CG 3.47Å; T274-R278 PolarHBondContact O-N 2.69Å; M275-R278 WeakPolarHBondContact O-CB 3.3Å; M275-R278 PolarHBondContact O-N 3.37Å; M275-R278 VanDerWaalsContact O-N 3.1Å; D276-R278 PolarHBondContact O-N 3.11Å; R278-G281 PolarHBondContact O-N 3.31Å; R278-W282 PolarHBondContact O-N 3.09Å; R278-G522 PolarHBondContact NE-O 3.14Å; R278-I523 PolarHBondContact NE-O 3.16Å; R278-I523 PolarHBondContact NH2-O 3Å
279	I	94.4	Very high	90.7	Very high	45 Å²	45	47.1 Å²	47.1	23%	0.231	25%	0.252	C	S	.	.	H	α-helix	trans	-61.4	-50.5	179.8	-68.8	166.8	0	0	0	110.1	V270 M275 D276 G281 W282 I283	V270-I279 HydrophobicContact CG2-CD1 3.75Å; M275-I279 HydrophobicContact CG-CD1 3.89Å; M275-I279 HydrophobicContact CG-CG1 4.45Å; M275-I279 WeakPolarHBondContact O-CG1 3.39Å; M275-I279 PolarHBondContact O-N 3.28Å; D276-I279 PolarHBondContact O-N 3.47Å; I279-G281 VanDerWaalsContact C-N 3.32Å; I279-G281 PolarHBondContact O-N 2.95Å; I279-W282 PolarHBondContact O-N 2.78Å; I279-I283 HydrophobicContact CG2-CD1 3.91Å; I279-I283 WeakPolarHBondContact O-CG1 3.46Å; I279-I283 PolarHBondContact O-N 2.96Å
280	I	94.1	Very high	90.9	Very high	15 Å²	15	47.3 Å²	47.3	8%	0.077	26%	0.258	C	S	.	.	H	α-helix	trans	-65.2	-38	179	-67.3	161.2	0	0	0	110.7	A255 I258 V259 M262 I269 D276 I283 T284	A255-I280 HydrophobicContact CB-CB 4.04Å; A255-I280 HydrophobicContact CB-CG2 3.82Å; I258-I280 HydrophobicContact CB-CD1 4.46Å; I258-I280 HydrophobicContact CB-CG2 4.27Å; I258-I280 HydrophobicContact CD1-CG2 3.95Å; I258-I280 HydrophobicContact CG2-CD1 3.84Å; I258-I280 HydrophobicContact CG2-CG2 4.34Å; V259-I280 HydrophobicContact CG2-CD1 3.53Å; M262-I280 HydrophobicContact SD-CD1 4.01Å; I269-I280 HydrophobicContact CD1-CD1 4Å; I269-I280 HydrophobicContact CD1-CG1 4.13Å; D276-I280 WeakPolarHBondContact O-CB 3.5Å; D276-I280 WeakPolarHBondContact O-CG1 3.18Å; D276-I280 PolarHBondContact O-N 3.43Å; I280-I283 PolarHBondContact O-N 3.46Å; I280-T284 VanDerWaalsContact O-CB 3.28Å; I280-T284 WeakPolarHBondContact O-CB 3.14Å; I280-T284 PolarHBondContact O-N 2.93Å; I280-T284 PolarHBondContact O-OG1 2.58Å
281	G	94.2	Very high	90.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-59.7	-45.6	173.8	0	0	0	0	0	112.9	V251 I277 R278 I279 T284 A285	V251-G281 VanDerWaalsContact CG1-O 3.24Å; V251-G281 WeakPolarHBondContact CG1-O 3.3Å; I277-G281 PolarHBondContact O-N 3.07Å; R278-G281 PolarHBondContact O-N 3.31Å; I279-G281 VanDerWaalsContact C-N 3.32Å; I279-G281 PolarHBondContact O-N 2.95Å; G281-T284 PolarHBondContact O-N 2.67Å; G281-A285 WeakPolarHBondContact O-CB 3.26Å; G281-A285 PolarHBondContact O-N 2.97Å
282	W	95.4	Very high	90.9	Very high	105 Å²	105	42.7 Å²	42.7	40%	0.398	23%	0.23	S	C	.	.	H	α-helix	trans	-65.5	-41.6	176.6	-74.2	-20.3	0	0	0	113.3	R278 I279 T286 M518	R278-W282 PolarHBondContact O-N 3.09Å; I279-W282 PolarHBondContact O-N 2.78Å; W282-T286 WeakPolarHBondContact O-CB 3.26Å; W282-T286 PolarHBondContact O-N 3.28Å; W282-T286 PolarHBondContact O-OG1 3.02Å; W282-M518 HydrophobicContact CB-CE 3.71Å; W282-M518 HydrophobicContact CB-SD 4.34Å; W282-M518 HydrophobicContact CD2-CE 4.43Å; W282-M518 HydrophobicContact CG-CE 3.57Å; W282-M518 HydrophobicContact CG-SD 4.24Å; W282-M518 PolarHBondContact NE1-O 2.91Å
283	I	95.3	Very high	91.1	Very high	102 Å²	102	45.6 Å²	45.6	52%	0.523	24%	0.241	S	C	.	.	H	α-helix	trans	-61.3	-49.8	174.5	-67.2	165.7	0	0	0	109.6	I279 I280 A285 T286 V287	I279-I283 HydrophobicContact CG2-CD1 3.91Å; I279-I283 WeakPolarHBondContact O-CG1 3.46Å; I279-I283 PolarHBondContact O-N 2.96Å; I280-I283 PolarHBondContact O-N 3.46Å; I283-A285 PolarHBondContact O-N 3.37Å; I283-T286 WeakPolarHBondContact O-CB 3.36Å; I283-T286 PolarHBondContact O-N 3.16Å; I283-T286 VanDerWaalsContact O-N 3.17Å; I283-V287 WeakPolarHBondContact O-CG2 3.29Å; I283-V287 PolarHBondContact O-N 2.91Å
284	T	93.8	Very high	90.9	Very high	13 Å²	13	48.6 Å²	48.6	8%	0.08	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-50.1	-179.8	-57.6	0	0	0	0	111.4	V251 F254 I280 G281 T286 V287 L288 L467	V251-T284 HydrophobicContact CG1-CG2 4.3Å; F254-T284 HydrophobicContact CD1-CG2 3.47Å; F254-T284 VanDerWaalsContact CD1-CG2 3.47Å; F254-T284 WeakPolarHBondContact CD1-OG1 3.24Å; F254-T284 HydrophobicContact CE1-CG2 3.7Å; F254-T284 WeakPolarHBondContact CE1-OG1 3.27Å; F254-T284 HydrophobicContact CG-CG2 4.34Å; I280-T284 VanDerWaalsContact O-CB 3.28Å; I280-T284 WeakPolarHBondContact O-CB 3.14Å; I280-T284 PolarHBondContact O-N 2.93Å; I280-T284 PolarHBondContact O-OG1 2.58Å; G281-T284 PolarHBondContact O-N 2.67Å; T284-T286 PolarHBondContact O-N 2.96Å; T284-V287 PolarHBondContact O-N 3.26Å; T284-V287 VanDerWaalsContact O-N 3.16Å; T284-L288 HydrophobicContact CG2-CD1 4.07Å; T284-L288 HydrophobicContact CG2-CG 4.35Å; T284-L288 VanDerWaalsContact O-CG 3.31Å; T284-L288 WeakPolarHBondContact O-CG 3.42Å; T284-L288 PolarHBondContact O-N 2.88Å; T284-L467 HydrophobicContact CG2-CD2 4Å
285	A	93.3	Very high	90.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-57.9	-38.7	177.4	0	0	0	0	0	111.9	V251 G281 I283 L288 L289 M474 F514 M518	V251-A285 HydrophobicContact CG1-CB 4.3Å; G281-A285 WeakPolarHBondContact O-CB 3.26Å; G281-A285 PolarHBondContact O-N 2.97Å; I283-A285 PolarHBondContact O-N 3.37Å; A285-L288 PolarHBondContact O-N 2.73Å; A285-L289 WeakPolarHBondContact O-CB 3.37Å; A285-L289 PolarHBondContact O-N 3.44Å; A285-M474 HydrophobicContact CB-CE 4.21Å; A285-F514 HydrophobicContact CB-CE2 4.01Å; A285-F514 WeakPolarHBondContact O-CE2 3.43Å; A285-M518 HydrophobicContact CB-SD 3.7Å
286	T	93.7	Very high	89	Confident	64 Å²	64	43 Å²	43	39%	0.393	23%	0.227	S	C	.	.	H	α-helix	trans	-67.9	-39	178.2	-55.9	0	0	0	0	111.9	W282 I283 T284 L289 V290	W282-T286 WeakPolarHBondContact O-CB 3.26Å; W282-T286 PolarHBondContact O-N 3.28Å; W282-T286 PolarHBondContact O-OG1 3.02Å; I283-T286 WeakPolarHBondContact O-CB 3.36Å; I283-T286 PolarHBondContact O-N 3.16Å; I283-T286 VanDerWaalsContact O-N 3.17Å; T284-T286 PolarHBondContact O-N 2.96Å; T286-L289 WeakPolarHBondContact O-CB 3.24Å; T286-L289 PolarHBondContact O-N 2.68Å; T286-V290 PolarHBondContact O-N 2.96Å
287	V	92.5	Very high	88	Confident	83 Å²	83	47 Å²	47	50%	0.503	26%	0.255	S	S	.	.	H	α-helix	trans	-65.8	-44.7	173.4	173.1	0	0	0	0	111.1	I283 T284 L289 V290 I291	I283-V287 WeakPolarHBondContact O-CG2 3.29Å; I283-V287 PolarHBondContact O-N 2.91Å; T284-V287 PolarHBondContact O-N 3.26Å; T284-V287 VanDerWaalsContact O-N 3.16Å; V287-L289 VanDerWaalsContact C-N 3.29Å; V287-L289 PolarHBondContact O-N 2.9Å; V287-V290 PolarHBondContact O-N 3.38Å; V287-V290 VanDerWaalsContact O-N 3.15Å; V287-I291 HydrophobicContact CG1-CD1 4.22Å; V287-I291 PolarHBondContact O-N 2.76Å; V287-I291 VanDerWaalsContact O-N 3.15Å
288	L	90.9	Very high	87.2	Confident	6 Å²	6	51.2 Å²	51.2	3%	0.031	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-37.4	176.8	-67.6	176.8	0	0	0	112.1	V251 T284 A285 V290 I291 V292 L467 A470 L471 M474	V251-L288 HydrophobicContact CG2-CD1 3.7Å; T284-L288 HydrophobicContact CG2-CD1 4.07Å; T284-L288 HydrophobicContact CG2-CG 4.35Å; T284-L288 VanDerWaalsContact O-CG 3.31Å; T284-L288 WeakPolarHBondContact O-CG 3.42Å; T284-L288 PolarHBondContact O-N 2.88Å; A285-L288 PolarHBondContact O-N 2.73Å; L288-V290 PolarHBondContact O-N 2.59Å; L288-I291 HydrophobicContact CD2-CD1 4.42Å; L288-I291 PolarHBondContact O-N 3.08Å; L288-V292 WeakPolarHBondContact O-CG2 3.38Å; L288-V292 PolarHBondContact O-N 3.19Å; L288-L467 HydrophobicContact CD1-CD2 4.46Å; L288-L467 HydrophobicContact CD2-CD2 4.14Å; L288-A470 HydrophobicContact CD1-CB 3.67Å; L288-L471 HydrophobicContact CD2-CD1 4.47Å; L288-L471 HydrophobicContact CD2-CD2 3.73Å; L288-L471 HydrophobicContact CD2-CG 3.85Å; L288-M474 HydrophobicContact CB-CE 4.25Å; L288-M474 HydrophobicContact CB-SD 3.73Å; L288-M474 HydrophobicContact CD1-CE 4.15Å; L288-M474 HydrophobicContact CD1-SD 4.34Å
289	L	90	Very high	86.3	Confident	28 Å²	28	48.1 Å²	48.1	15%	0.147	26%	0.261	C	S	.	.	H	α-helix	trans	-56.6	-47.5	173.2	-176.4	67.1	0	0	0	111.7	A285 T286 V287 I291 V292 F293 I510 F514	A285-L289 WeakPolarHBondContact O-CB 3.37Å; A285-L289 PolarHBondContact O-N 3.44Å; T286-L289 WeakPolarHBondContact O-CB 3.24Å; T286-L289 PolarHBondContact O-N 2.68Å; V287-L289 VanDerWaalsContact C-N 3.29Å; V287-L289 PolarHBondContact O-N 2.9Å; L289-I291 VanDerWaalsContact C-N 3.32Å; L289-I291 PolarHBondContact O-N 3.48Å; L289-V292 PolarHBondContact O-N 3.47Å; L289-F293 HydrophobicContact CD1-CD2 3.93Å; L289-F293 HydrophobicContact CD1-CE2 3.79Å; L289-F293 HydrophobicContact CG-CD2 3.97Å; L289-F293 HydrophobicContact CG-CE2 4.08Å; L289-F293 WeakPolarHBondContact O-CD2 3.38Å; L289-F293 PolarHBondContact O-N 3.36Å; L289-I510 HydrophobicContact CD1-CG2 3.57Å; L289-F514 HydrophobicContact CB-CD2 3.96Å; L289-F514 HydrophobicContact CB-CE2 4.04Å; L289-F514 HydrophobicContact CD1-CB 3.84Å; L289-F514 HydrophobicContact CD1-CD2 4.01Å; L289-F514 HydrophobicContact CD1-CG 3.88Å; L289-F514 HydrophobicContact CD2-CD1 3.73Å; L289-F514 HydrophobicContact CD2-CD2 3.9Å; L289-F514 HydrophobicContact CD2-CE1 3.81Å; L289-F514 HydrophobicContact CD2-CE2 3.98Å; L289-F514 HydrophobicContact CD2-CG 3.77Å; L289-F514 HydrophobicContact CD2-CZ 3.93Å; L289-F514 HydrophobicContact CG-CD2 4.17Å; L289-F514 HydrophobicContact CG-CE2 4.49Å; L289-F514 HydrophobicContact CG-CG 4.28Å
290	V	89.4	Confident	85.2	Confident	92 Å²	92	47 Å²	47	56%	0.558	26%	0.259	S	S	*	.	H	α-helix	trans	-62.5	-39.7	179.2	175.8	0	0	0	0	111.4	T286 V287 L288 F293 T294	T286-V290 PolarHBondContact O-N 2.96Å; V287-V290 PolarHBondContact O-N 3.38Å; V287-V290 VanDerWaalsContact O-N 3.15Å; L288-V290 PolarHBondContact O-N 2.59Å; V290-F293 PolarHBondContact O-N 3.35Å; V290-T294 PolarHBondContact O-N 3.47Å; V290-T294 PolarHBondContact O-OG1 3.19Å
291	I	86.7	Confident	84.5	Confident	51 Å²	51	53.5 Å²	53.5	26%	0.262	29%	0.286	S	S	.	.	H	α-helix	trans	-62.3	-48.1	175	-64.5	168.9	0	0	0	110.4	V287 L288 L289 F293 T294 F298 L471	V287-I291 HydrophobicContact CG1-CD1 4.22Å; V287-I291 PolarHBondContact O-N 2.76Å; V287-I291 VanDerWaalsContact O-N 3.15Å; L288-I291 HydrophobicContact CD2-CD1 4.42Å; L288-I291 PolarHBondContact O-N 3.08Å; L289-I291 VanDerWaalsContact C-N 3.32Å; L289-I291 PolarHBondContact O-N 3.48Å; I291-F293 VanDerWaalsContact C-N 3.29Å; I291-F293 PolarHBondContact O-N 3.31Å; I291-T294 WeakPolarHBondContact O-CB 3.5Å; I291-T294 PolarHBondContact O-N 3.01Å; I291-F298 HydrophobicContact CG2-CD1 4.09Å; I291-F298 HydrophobicContact CG2-CE1 4.15Å; I291-L471 HydrophobicContact CB-CD2 4.3Å; I291-L471 HydrophobicContact CG2-CD2 3.9Å
292	V	84.9	Confident	83.9	Confident	11 Å²	11	54.5 Å²	54.5	7%	0.067	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-35.9	178.4	171.3	0	0	0	0	112	L288 L289 T294 G295 L471 M474 V475 I510	L288-V292 WeakPolarHBondContact O-CG2 3.38Å; L288-V292 PolarHBondContact O-N 3.19Å; L289-V292 PolarHBondContact O-N 3.47Å; V292-T294 VanDerWaalsContact C-N 3.28Å; V292-T294 PolarHBondContact O-N 3.28Å; V292-G295 PolarHBondContact O-N 3.2Å; V292-L471 HydrophobicContact CG2-CD2 3.97Å; V292-M474 HydrophobicContact CG2-CB 4.15Å; V292-V475 HydrophobicContact CG1-CG2 4.09Å; V292-V475 HydrophobicContact CG2-CG2 3.97Å; V292-I510 HydrophobicContact CG1-CD1 4.05Å; V292-I510 HydrophobicContact CG1-CG1 4.38Å; V292-I510 HydrophobicContact CG1-CG2 4.11Å
293	F	83.9	Confident	83.2	Confident	64 Å²	64	49.8 Å²	49.8	28%	0.281	28%	0.277	S	S	.	.	H	α-helix	trans	-68.9	-20.7	174.9	-98.8	-84.3	0	0	0	114.7	L289 V290 I291 G295 R507 I510 I511	L289-F293 HydrophobicContact CD1-CD2 3.93Å; L289-F293 HydrophobicContact CD1-CE2 3.79Å; L289-F293 HydrophobicContact CG-CD2 3.97Å; L289-F293 HydrophobicContact CG-CE2 4.08Å; L289-F293 WeakPolarHBondContact O-CD2 3.38Å; L289-F293 PolarHBondContact O-N 3.36Å; V290-F293 PolarHBondContact O-N 3.35Å; I291-F293 VanDerWaalsContact C-N 3.29Å; I291-F293 PolarHBondContact O-N 3.31Å; F293-G295 VanDerWaalsContact C-N 3.32Å; F293-R507 HydrophobicContact CD1-CG 4.32Å; F293-R507 HydrophobicContact CE1-CB 3.97Å; F293-R507 HydrophobicContact CE1-CG 3.76Å; F293-R507 HydrophobicContact CZ-CB 4.32Å; F293-I510 HydrophobicContact CD2-CG2 4.18Å; F293-I510 HydrophobicContact CE2-CG2 3.81Å; F293-I511 HydrophobicContact CE2-CG1 4.16Å; F293-I511 HydrophobicContact CZ-CD1 4.06Å; F293-I511 HydrophobicContact CZ-CG1 3.85Å
294	T	79.1	Confident	82.5	Confident	103 Å²	103	48.7 Å²	48.7	63%	0.632	27%	0.272	S	S	*	.	H	α-helix	trans	-77.5	-21.3	178.9	-56.7	0	0	0	0	111.8	V290 I291 V292	V290-T294 PolarHBondContact O-N 3.47Å; V290-T294 PolarHBondContact O-OG1 3.19Å; I291-T294 WeakPolarHBondContact O-CB 3.5Å; I291-T294 PolarHBondContact O-N 3.01Å; V292-T294 VanDerWaalsContact C-N 3.28Å; V292-T294 PolarHBondContact O-N 3.28Å
295	G	70.4	Confident	82.2	Confident	6 Å²	6	53.4 Å²	53.4	6%	0.062	30%	0.295	C	S	.	.			trans	123.7	151.4	161.9	0	0	0	0	0	115	V292 F293 S297 F298 E505	V292-G295 PolarHBondContact O-N 3.2Å; F293-G295 VanDerWaalsContact C-N 3.32Å; G295-S297 PolarHBondContact O-N 2.96Å; G295-S297 VanDerWaalsContact O-N 3.08Å; G295-F298 PolarHBondContact O-N 3.36Å; G295-E505 WeakPolarHBondContact CA-OE1 3.43Å
296	V	67.5	Low	81.9	Confident	24 Å²	24	55 Å²	55	15%	0.145	30%	0.303	C	S	.	.	H	α-helix	trans	-56.2	-31.9	-171.9	-178.5	0	0	0	0	113.3	F298 E299 A300 V475 E505	V296-F298 PolarHBondContact O-N 3.37Å; V296-E299 PolarHBondContact O-N 3.39Å; V296-A300 PolarHBondContact O-N 2.82Å; V296-A300 VanDerWaalsContact O-N 3.13Å; V296-V475 HydrophobicContact CG2-CG1 4.5Å; V296-E505 PolarHBondContact N-OE1 3.2Å
297	S	71.7	Confident	81.5	Confident	84 Å²	84	53.7 Å²	53.7	59%	0.587	29%	0.293	S	S	*	.	H	α-helix	trans	-67.2	-23.3	-178.8	71.4	0	0	0	0	114.2	G295	G295-S297 PolarHBondContact O-N 2.96Å; G295-S297 VanDerWaalsContact O-N 3.08Å
298	F	75	Confident	81.4	Confident	112 Å²	112	54.1 Å²	54.1	49%	0.491	30%	0.296	S	S	.	.	H	α-helix	trans	-80.4	-42.4	173.5	-176.8	-96.4	0	0	0	110.8	I291 G295 V296 A300 K301 A302	I291-F298 HydrophobicContact CG2-CD1 4.09Å; I291-F298 HydrophobicContact CG2-CE1 4.15Å; G295-F298 PolarHBondContact O-N 3.36Å; V296-F298 PolarHBondContact O-N 3.37Å; F298-A300 PolarHBondContact O-N 3.12Å; F298-K301 PolarHBondContact O-N 3.4Å; F298-K301 VanDerWaalsContact O-N 3.15Å; F298-A302 WeakPolarHBondContact O-CB 3.04Å; F298-A302 PolarHBondContact O-N 3.36Å
299	E	77	Confident	81.5	Confident	3 Å²	3	56.7 Å²	56.7	1%	0.014	31%	0.309	C	S	.	.	H	α-helix	trans	-54.2	-47	175	168.4	-100.6	-169.4	0	0	112.4	R161 V296 K301 A302 Q303 V475	R161-E299 IonicContact NH2-OE2 2.73Å; V296-E299 PolarHBondContact O-N 3.39Å; E299-K301 VanDerWaalsContact C-N 3.31Å; E299-K301 PolarHBondContact O-N 2.88Å; E299-A302 PolarHBondContact O-N 3.13Å; E299-Q303 WeakPolarHBondContact O-CG 3.12Å; E299-Q303 PolarHBondContact O-N 3.14Å; E299-Q303 PolarHBondContact OE1-NE2 3.25Å; E299-V475 HydrophobicContact CG-CG2 4.19Å
300	A	71	Confident	81.5	Confident	22 Å²	22	55.4 Å²	55.4	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-59.4	-38.8	178.1	0	0	0	0	0	113.2	V296 F298 L304	V296-A300 PolarHBondContact O-N 2.82Å; V296-A300 VanDerWaalsContact O-N 3.13Å; F298-A300 PolarHBondContact O-N 3.12Å; A300-L304 PolarHBondContact O-N 3.46Å
301	K	78.3	Confident	81.6	Confident	151 Å²	151	55.1 Å²	55.1	66%	0.657	30%	0.297	S	S	*	.	H	α-helix	trans	-73.9	-39.9	177	-67.7	179.6	-179.3	-178.3	0	111.9	F298 E299 L304 I305	F298-K301 PolarHBondContact O-N 3.4Å; F298-K301 VanDerWaalsContact O-N 3.15Å; E299-K301 VanDerWaalsContact C-N 3.31Å; E299-K301 PolarHBondContact O-N 2.88Å; K301-L304 PolarHBondContact O-N 3.18Å; K301-I305 PolarHBondContact O-N 3.1Å
302	A	81.3	Confident	81.9	Confident	20 Å²	20	54.7 Å²	54.7	17%	0.165	30%	0.301	C	S	.	.	H	α-helix	trans	-61.8	-44.1	176.4	0	0	0	0	0	111.2	F298 E299 L304 I305 L306	F298-A302 WeakPolarHBondContact O-CB 3.04Å; F298-A302 PolarHBondContact O-N 3.36Å; E299-A302 PolarHBondContact O-N 3.13Å; A302-L304 VanDerWaalsContact C-N 3.29Å; A302-L304 PolarHBondContact O-N 3.11Å; A302-I305 PolarHBondContact O-N 3.33Å; A302-I305 VanDerWaalsContact O-N 3.11Å; A302-L306 WeakPolarHBondContact O-CG 3.31Å; A302-L306 PolarHBondContact O-N 3.33Å
303	Q	81.1	Confident	82.3	Confident	7 Å²	7	54.2 Å²	54.2	3%	0.033	30%	0.298	C	S	.	.	H	α-helix	trans	-55.1	-40.9	175.1	-81.1	171.3	-5.3	0	0	112.8	L164 E299 I305 L306 M307	L164-Q303 HydrophobicContact CD1-CB 3.82Å; L164-Q303 HydrophobicContact CD1-CG 4.19Å; L164-Q303 WeakPolarHBondContact CD1-O 3.37Å; E299-Q303 WeakPolarHBondContact O-CG 3.12Å; E299-Q303 PolarHBondContact O-N 3.14Å; E299-Q303 PolarHBondContact OE1-NE2 3.25Å; Q303-I305 PolarHBondContact O-N 2.85Å; Q303-L306 PolarHBondContact O-N 3.22Å; Q303-M307 WeakPolarHBondContact O-CB 3.43Å; Q303-M307 PolarHBondContact O-N 3.46Å
304	L	80.7	Confident	82.7	Confident	79 Å²	79	51.6 Å²	51.6	41%	0.414	29%	0.288	S	S	.	.	H	α-helix	trans	-64.2	-40.4	177.6	-173.3	67.5	0	0	0	112.2	I160 A300 K301 A302 M307 V308	I160-L304 HydrophobicContact CD1-CD1 4.16Å; A300-L304 PolarHBondContact O-N 3.46Å; K301-L304 PolarHBondContact O-N 3.18Å; A302-L304 VanDerWaalsContact C-N 3.29Å; A302-L304 PolarHBondContact O-N 3.11Å; L304-M307 HydrophobicContact CD1-CE 4.03Å; L304-M307 PolarHBondContact O-N 3.28Å; L304-V308 PolarHBondContact O-N 2.88Å
305	I	87.2	Confident	83.4	Confident	112 Å²	112	50.7 Å²	50.7	57%	0.574	28%	0.282	S	S	*	.	H	α-helix	trans	-66.9	-46.4	176.9	-61.9	170	0	0	0	110.4	K301 A302 Q303 M307 V308 I309	K301-I305 PolarHBondContact O-N 3.1Å; A302-I305 PolarHBondContact O-N 3.33Å; A302-I305 VanDerWaalsContact O-N 3.11Å; Q303-I305 PolarHBondContact O-N 2.85Å; I305-M307 VanDerWaalsContact C-N 3.27Å; I305-M307 PolarHBondContact O-N 3.4Å; I305-V308 PolarHBondContact O-N 2.46Å; I305-V308 VanDerWaalsContact O-N 3.14Å; I305-I309 PolarHBondContact O-N 3.27Å
306	L	87.7	Confident	84.6	Confident	32 Å²	32	51.3 Å²	51.3	17%	0.168	28%	0.284	C	S	.	.	H	α-helix	trans	-62.6	-33.6	177.9	-63.5	177.5	0	0	0	112	A302 Q303 V308 I309 L310 A464	A302-L306 WeakPolarHBondContact O-CG 3.31Å; A302-L306 PolarHBondContact O-N 3.33Å; Q303-L306 PolarHBondContact O-N 3.22Å; L306-V308 PolarHBondContact O-N 3.39Å; L306-I309 HydrophobicContact CD2-CD1 4.49Å; L306-I309 PolarHBondContact O-N 3.06Å; L306-L310 WeakPolarHBondContact O-CB 3.44Å; L306-L310 PolarHBondContact O-N 3.14Å; L306-A464 HydrophobicContact CB-CB 4.22Å; L306-A464 HydrophobicContact CD2-CB 4.15Å
307	M	85	Confident	85.8	Confident	37 Å²	37	50.2 Å²	50.2	18%	0.182	28%	0.277	C	S	.	.	H	α-helix	trans	-61.9	-41.4	173.2	-171.2	-165.4	68.5	0	0	112.7	I160 L164 Q303 L304 I305 I309 L310 L311	I160-M307 HydrophobicContact CB-SD 4.03Å; I160-M307 HydrophobicContact CD1-CE 3.89Å; I160-M307 HydrophobicContact CD1-SD 3.63Å; I160-M307 HydrophobicContact CG1-CE 4.44Å; I160-M307 HydrophobicContact CG1-SD 3.54Å; I160-M307 VanDerWaalsContact CG1-SD 3.54Å; I160-M307 HydrophobicContact CG2-CG 4.38Å; I160-M307 HydrophobicContact CG2-SD 3.5Å; I160-M307 WeakPolarHBondContact CG2-SD 3.46Å; L164-M307 HydrophobicContact CD1-CB 4.24Å; L164-M307 HydrophobicContact CD2-CB 3.88Å; L164-M307 HydrophobicContact CD2-CG 4.21Å; L164-M307 HydrophobicContact CG-CB 4.29Å; L164-M307 HydrophobicContact CG-CG 4.48Å; Q303-M307 WeakPolarHBondContact O-CB 3.43Å; Q303-M307 PolarHBondContact O-N 3.46Å; L304-M307 HydrophobicContact CD1-CE 4.03Å; L304-M307 PolarHBondContact O-N 3.28Å; I305-M307 VanDerWaalsContact C-N 3.27Å; I305-M307 PolarHBondContact O-N 3.4Å; M307-I309 VanDerWaalsContact C-N 3.31Å; M307-I309 PolarHBondContact O-N 3.17Å; M307-L310 PolarHBondContact O-N 3.22Å; M307-L311 HydrophobicContact CE-CD1 4.04Å; M307-L311 HydrophobicContact CG-CD1 3.99Å; M307-L311 HydrophobicContact CG-CG 4.26Å; M307-L311 WeakPolarHBondContact O-CB 3.45Å; M307-L311 WeakPolarHBondContact O-CG 3.39Å; M307-L311 PolarHBondContact O-N 3.05Å; M307-L311 HydrophobicContact SD-CD1 4.24Å
308	V	90.8	Very high	86.9	Confident	93 Å²	93	49 Å²	49	56%	0.564	26%	0.26	S	S	*	.	H	α-helix	trans	-63.5	-41.2	179	175.6	0	0	0	0	110.6	L304 I305 L306 A312	L304-V308 PolarHBondContact O-N 2.88Å; I305-V308 PolarHBondContact O-N 2.46Å; I305-V308 VanDerWaalsContact O-N 3.14Å; L306-V308 PolarHBondContact O-N 3.39Å; V308-A312 WeakPolarHBondContact O-CB 3.32Å; V308-A312 PolarHBondContact O-N 3.2Å
309	I	92.5	Very high	87.7	Confident	59 Å²	59	47.2 Å²	47.2	30%	0.303	26%	0.258	S	S	.	.	H	α-helix	trans	-63.6	-44.6	175.1	-61.5	169.2	0	0	0	110.7	I305 L306 M307 A312 S313 A460 A464	I305-I309 PolarHBondContact O-N 3.27Å; L306-I309 HydrophobicContact CD2-CD1 4.49Å; L306-I309 PolarHBondContact O-N 3.06Å; M307-I309 VanDerWaalsContact C-N 3.31Å; M307-I309 PolarHBondContact O-N 3.17Å; I309-A312 PolarHBondContact O-N 3.17Å; I309-S313 WeakPolarHBondContact O-CB 3.41Å; I309-S313 PolarHBondContact O-N 3.39Å; I309-A460 HydrophobicContact CG2-CB 4.09Å; I309-A464 HydrophobicContact CB-CB 4.11Å; I309-A464 HydrophobicContact CG2-CB 3.92Å
310	L	90.9	Very high	88.4	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-64	-43.3	179.3	-170.4	149.1	0	0	0	112.3	L164 F167 L306 M307 S313 V314 A465	L164-L310 HydrophobicContact CD2-CD1 4.23Å; F167-L310 HydrophobicContact CB-CD1 3.79Å; F167-L310 HydrophobicContact CB-CD2 3.99Å; F167-L310 HydrophobicContact CB-CG 4.49Å; F167-L310 HydrophobicContact CD2-CD2 3.91Å; F167-L310 HydrophobicContact CG-CD2 3.98Å; L306-L310 WeakPolarHBondContact O-CB 3.44Å; L306-L310 PolarHBondContact O-N 3.14Å; M307-L310 PolarHBondContact O-N 3.22Å; L310-S313 WeakPolarHBondContact O-CB 3.39Å; L310-S313 PolarHBondContact O-N 2.99Å; L310-V314 HydrophobicContact CD2-CG2 4.22Å; L310-V314 WeakPolarHBondContact O-CG2 3.39Å; L310-V314 PolarHBondContact O-N 2.82Å; L310-A465 HydrophobicContact CD1-CB 3.76Å
311	L	90.9	Very high	89.4	Confident	86 Å²	86	47 Å²	47	45%	0.45	26%	0.256	S	S	.	.	H	α-helix	trans	-65.4	-42.3	175.8	-70.9	173.8	0	0	0	111.6	M307 S313 V314 T315	M307-L311 HydrophobicContact CE-CD1 4.04Å; M307-L311 HydrophobicContact CG-CD1 3.99Å; M307-L311 HydrophobicContact CG-CG 4.26Å; M307-L311 WeakPolarHBondContact O-CB 3.45Å; M307-L311 WeakPolarHBondContact O-CG 3.39Å; M307-L311 PolarHBondContact O-N 3.05Å; M307-L311 HydrophobicContact SD-CD1 4.24Å; L311-S313 VanDerWaalsContact C-N 3.32Å; L311-S313 PolarHBondContact O-N 3.23Å; L311-V314 PolarHBondContact O-N 3.19Å; L311-T315 PolarHBondContact O-N 3.1Å; L311-T315 PolarHBondContact O-OG1 3.25Å; L311-T315 VanDerWaalsContact O-OG1 3.14Å
312	A	93.6	Very high	90	Very high	42 Å²	42	47 Å²	47	35%	0.347	26%	0.257	S	S	.	.	H	α-helix	trans	-60.9	-40.6	174.5	0	0	0	0	0	111.9	V308 I309 T315 N316 L457	V308-A312 WeakPolarHBondContact O-CB 3.32Å; V308-A312 PolarHBondContact O-N 3.2Å; I309-A312 PolarHBondContact O-N 3.17Å; A312-T315 PolarHBondContact O-N 2.84Å; A312-N316 WeakPolarHBondContact O-CB 3.09Å; A312-N316 PolarHBondContact O-N 2.81Å; A312-L457 HydrophobicContact CB-CD1 4.29Å
313	S	93.8	Very high	90.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-47	173.4	171.9	0	0	0	0	112.8	Y172 I309 L310 L311 T315 N316 Y317 L457 V458	Y172-S313 WeakPolarHBondContact CE1-OG 3.3Å; Y172-S313 WeakPolarHBondContact OH-CB 3.03Å; Y172-S313 PolarHBondContact OH-OG 2.87Å; I309-S313 WeakPolarHBondContact O-CB 3.41Å; I309-S313 PolarHBondContact O-N 3.39Å; L310-S313 WeakPolarHBondContact O-CB 3.39Å; L310-S313 PolarHBondContact O-N 2.99Å; L311-S313 VanDerWaalsContact C-N 3.32Å; L311-S313 PolarHBondContact O-N 3.23Å; S313-T315 PolarHBondContact O-N 3.24Å; S313-N316 WeakPolarHBondContact O-CB 3.48Å; S313-N316 PolarHBondContact O-N 2.88Å; S313-Y317 PolarHBondContact O-N 3.17Å; S313-L457 WeakPolarHBondContact CB-O 3.38Å; S313-V458 WeakPolarHBondContact OG-CA 3.32Å
314	V	92.3	Very high	90.6	Very high	10 Å²	10	58.8 Å²	58.8	6%	0.061	31%	0.311	C	S	.	.	H	α-helix	trans	-64.2	-39.7	177	171	0	0	0	0	111.5	F171 L310 L311 Y317 Y318 I400	F171-V314 HydrophobicContact CE1-CG2 3.86Å; F171-V314 HydrophobicContact CZ-CG2 4.13Å; L310-V314 HydrophobicContact CD2-CG2 4.22Å; L310-V314 WeakPolarHBondContact O-CG2 3.39Å; L310-V314 PolarHBondContact O-N 2.82Å; L311-V314 PolarHBondContact O-N 3.19Å; V314-Y317 WeakPolarHBondContact O-CB 3.48Å; V314-Y317 PolarHBondContact O-N 2.65Å; V314-Y318 HydrophobicContact CG1-CD2 3.94Å; V314-Y318 HydrophobicContact CG1-CE2 3.51Å; V314-Y318 WeakPolarHBondContact O-CD2 3.34Å; V314-Y318 PolarHBondContact O-N 2.78Å; V314-Y318 VanDerWaalsContact O-N 3.13Å; V314-I400 HydrophobicContact CG1-CG2 4.48Å
315	T	93.1	Very high	90.8	Very high	84 Å²	84	56.1 Å²	56.1	52%	0.515	30%	0.298	S	S	.	.	H	α-helix	trans	-65.5	-40.4	172.6	-57.9	0	0	0	0	112	L311 A312 S313 Y317 Y318 V319	L311-T315 PolarHBondContact O-N 3.1Å; L311-T315 PolarHBondContact O-OG1 3.25Å; L311-T315 VanDerWaalsContact O-OG1 3.14Å; A312-T315 PolarHBondContact O-N 2.84Å; S313-T315 PolarHBondContact O-N 3.24Å; T315-Y317 VanDerWaalsContact C-N 3.33Å; T315-Y317 PolarHBondContact O-N 3.32Å; T315-Y318 PolarHBondContact O-N 3.19Å; T315-V319 HydrophobicContact CG2-CG2 4.35Å; T315-V319 WeakPolarHBondContact O-CG2 3.48Å; T315-V319 PolarHBondContact O-N 3.09Å
316	N	94.7	Very high	90.8	Very high	18 Å²	18	54 Å²	54	10%	0.096	29%	0.294	C	S	.	.	H	α-helix	trans	-63.3	-35.5	176.2	175.4	78.7	0	0	0	113	A312 S313 G320 A453 W454 L457 V458	A312-N316 WeakPolarHBondContact O-CB 3.09Å; A312-N316 PolarHBondContact O-N 2.81Å; S313-N316 WeakPolarHBondContact O-CB 3.48Å; S313-N316 PolarHBondContact O-N 2.88Å; N316-G320 PolarHBondContact O-N 2.87Å; N316-A453 PolarHBondContact O-N 3.18Å; N316-W454 PolarHBondContact ND2-O 2.69Å; N316-W454 PolarHBondContact OD1-N 3Å; N316-L457 HydrophobicContact CB-CD2 3.7Å; N316-L457 HydrophobicContact CB-CG 4.19Å; N316-V458 VanDerWaalsContact ND2-CG2 3.31Å; N316-V458 WeakPolarHBondContact ND2-CG2 3.39Å
317	Y	93.5	Very high	90.8	Very high	1 Å²	1	57.7 Å²	57.7	0%	0.004	31%	0.312	C	S	.	.	H	α-helix	trans	-60.1	-56.7	168.2	170.3	-93.9	0	0	0	111.1	S313 V314 T315 V319 G320 T321 V404 T408 L448 E451	S313-Y317 PolarHBondContact O-N 3.17Å; V314-Y317 WeakPolarHBondContact O-CB 3.48Å; V314-Y317 PolarHBondContact O-N 2.65Å; T315-Y317 VanDerWaalsContact C-N 3.33Å; T315-Y317 PolarHBondContact O-N 3.32Å; Y317-V319 VanDerWaalsContact C-N 3.31Å; Y317-V319 PolarHBondContact O-N 3.45Å; Y317-G320 WeakPolarHBondContact O-CA 3.42Å; Y317-G320 PolarHBondContact O-N 3Å; Y317-T321 HydrophobicContact CD2-CG2 4.49Å; Y317-T321 HydrophobicContact CE1-CG2 3.92Å; Y317-T321 HydrophobicContact CE2-CG2 3.9Å; Y317-T321 PolarHBondContact O-N 3.32Å; Y317-V404 HydrophobicContact CD1-CG2 4.18Å; Y317-V404 HydrophobicContact CE1-CB 4.27Å; Y317-V404 HydrophobicContact CE1-CG1 4.01Å; Y317-V404 HydrophobicContact CE1-CG2 3.81Å; Y317-T408 PolarHBondContact OH-N 3.33Å; Y317-T408 PolarHBondContact OH-OG1 2.72Å; Y317-L448 HydrophobicContact CD2-CB 4.32Å; Y317-L448 HydrophobicContact CD2-CD2 4.15Å; Y317-L448 HydrophobicContact CD2-CG 4.2Å; Y317-L448 HydrophobicContact CE2-CD2 4.27Å; Y317-L448 HydrophobicContact CE2-CG 4.08Å; Y317-E451 HydrophobicContact CD2-CB 4.25Å; Y317-E451 HydrophobicContact CE2-CB 3.87Å; Y317-E451 WeakPolarHBondContact CE2-OE2 3.12Å; Y317-E451 PolarHBondContact OH-OE2 3Å
318	Y	93.7	Very high	90.9	Very high	58 Å²	58	61.7 Å²	61.7	23%	0.227	33%	0.331	C	S	.	.	H	α-helix	trans	-59	-40.4	-178.8	-72.3	-58	0	0	0	112.9	V314 T315 T321 F322 S403 V404 M407	V314-Y318 HydrophobicContact CG1-CD2 3.94Å; V314-Y318 HydrophobicContact CG1-CE2 3.51Å; V314-Y318 WeakPolarHBondContact O-CD2 3.34Å; V314-Y318 PolarHBondContact O-N 2.78Å; V314-Y318 VanDerWaalsContact O-N 3.13Å; T315-Y318 PolarHBondContact O-N 3.19Å; Y318-T321 PolarHBondContact O-OG1 3.33Å; Y318-F322 WeakPolarHBondContact O-CD2 3.31Å; Y318-S403 PolarHBondContact OH-OG 3.31Å; Y318-V404 HydrophobicContact CE1-CG2 4.37Å; Y318-M407 HydrophobicContact CD1-CE 3.73Å; Y318-M407 HydrophobicContact CD1-SD 3.75Å; Y318-M407 HydrophobicContact CE1-CE 4.29Å; Y318-M407 HydrophobicContact CE1-SD 3.66Å
319	V	93.6	Very high	90.8	Very high	75 Å²	75	57.8 Å²	57.8	46%	0.455	31%	0.308	S	S	.	.	H	α-helix	trans	-64.5	-41.8	174.7	173.1	0	0	0	0	111	T315 Y317 T321 F322 L323 A453	T315-V319 HydrophobicContact CG2-CG2 4.35Å; T315-V319 WeakPolarHBondContact O-CG2 3.48Å; T315-V319 PolarHBondContact O-N 3.09Å; Y317-V319 VanDerWaalsContact C-N 3.31Å; Y317-V319 PolarHBondContact O-N 3.45Å; V319-T321 PolarHBondContact O-N 2.98Å; V319-F322 PolarHBondContact O-N 3.48Å; V319-L323 HydrophobicContact CG1-CD1 4.45Å; V319-L323 PolarHBondContact O-N 2.71Å; V319-A453 HydrophobicContact CB-CB 4.42Å; V319-A453 HydrophobicContact CG1-CB 4.07Å
320	G	91.6	Very high	90.6	Very high	9 Å²	9	59.5 Å²	59.5	9%	0.093	31%	0.311	C	S	.	.	H	α-helix	trans	-59.6	-43.5	179.2	0	0	0	0	0	113.5	N316 Y317 F322 L323 E451 A453	N316-G320 PolarHBondContact O-N 2.87Å; Y317-G320 WeakPolarHBondContact O-CA 3.42Å; Y317-G320 PolarHBondContact O-N 3Å; G320-F322 PolarHBondContact O-N 2.84Å; G320-F322 VanDerWaalsContact O-N 3.09Å; G320-L323 PolarHBondContact O-N 3.43Å; G320-E451 CarbonylContact C-O 3.58Å; G320-E451 WeakPolarHBondContact CA-O 3.11Å; G320-A453 VanDerWaalsContact CA-N 3.33Å
321	T	90.6	Very high	90.5	Very high	11 Å²	11	59.5 Å²	59.5	7%	0.067	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-17.8	177.8	65	0	0	0	0	114.8	Y317 Y318 V319 Y337 M407 E451	Y317-T321 HydrophobicContact CD2-CG2 4.49Å; Y317-T321 HydrophobicContact CE1-CG2 3.92Å; Y317-T321 HydrophobicContact CE2-CG2 3.9Å; Y317-T321 PolarHBondContact O-N 3.32Å; Y318-T321 PolarHBondContact O-OG1 3.33Å; V319-T321 PolarHBondContact O-N 2.98Å; T321-Y337 VanDerWaalsContact CB-OH 3.28Å; T321-Y337 WeakPolarHBondContact CB-OH 3.44Å; T321-Y337 WeakPolarHBondContact O-CE2 3.34Å; T321-Y337 PolarHBondContact OG1-OH 3.4Å; T321-Y337 VanDerWaalsContact OG1-OH 3.08Å; T321-M407 WeakPolarHBondContact OG1-CE 3.38Å; T321-E451 HydrophobicContact CG2-CB 4.44Å; T321-E451 PolarHBondContact N-O 3.44Å
322	F	90.9	Very high	90.5	Very high	153 Å²	153	58 Å²	58	67%	0.671	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-7.5	174.7	-70.2	-65.4	0	0	0	113.9	Y318 V319 G320 Y337 M407	Y318-F322 WeakPolarHBondContact O-CD2 3.31Å; V319-F322 PolarHBondContact O-N 3.48Å; G320-F322 PolarHBondContact O-N 2.84Å; G320-F322 VanDerWaalsContact O-N 3.09Å; F322-Y337 AromaticContact CD1-CE2 3.96Å; F322-Y337 HydrophobicContact CD1-CE2 3.96Å; F322-Y337 HydrophobicContact CE1-CE2 4.01Å; F322-M407 HydrophobicContact CE2-CE 4.17Å; F322-M407 HydrophobicContact CZ-CE 4.2Å
323	L	90.1	Very high	90.2	Very high	100 Å²	100	56 Å²	56	52%	0.524	29%	0.285	S	S	.	.	S	Bend	trans	-85.4	149.3	174.4	-65.3	172.8	0	0	0	110.1	V319 G320 A453	V319-L323 HydrophobicContact CG1-CD1 4.45Å; V319-L323 PolarHBondContact O-N 2.71Å; G320-L323 PolarHBondContact O-N 3.43Å; L323-A453 HydrophobicContact CD1-CB 3.71Å
324	E	85.8	Confident	90.1	Very high	174 Å²	174	56.6 Å²	56.6	81%	0.813	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-67.3	126.6	174.3	-68.9	-173.7	-165.8	0	0	110.2
325	P	85.7	Confident	90	Very high	22 Å²	22	58.4 Å²	58.4	14%	0.143	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-69.6	138	-176.8	24.5	-31.3	0	0	0	111	A329 R330 I334	P325-A329 HydrophobicContact CB-CB 4.03Å; P325-R330 HydrophobicContact CB-CG 4.19Å; P325-R330 HydrophobicContact CG-CG 4.02Å; P325-R330 PolarHBondContact O-NE 3Å; P325-R330 VanDerWaalsContact O-NE 3.14Å; P325-I334 HydrophobicContact CB-CB 4.4Å; P325-I334 HydrophobicContact CB-CG2 4.01Å; P325-I334 WeakPolarHBondContact CB-O 3.3Å; P325-I334 WeakPolarHBondContact CG-O 3.49Å
326	S	87.1	Confident	89.8	Confident	68 Å²	68	55.1 Å²	55.1	48%	0.476	28%	0.281	S	S	.	.	P	Polyproline II helix	trans	-61.2	161.7	175.3	72.8	0	0	0	0	111.6	E328 A329 R330	S326-E328 PolarHBondContact O-N 2.78Å; S326-A329 PolarHBondContact O-N 2.86Å; S326-A329 WeakPolarHBondContact OG-CB 3.35Å; S326-A329 PolarHBondContact OG-N 2.88Å; S326-A329 VanDerWaalsContact OG-N 3.13Å; S326-R330 WeakPolarHBondContact O-CG 3.45Å; S326-R330 PolarHBondContact O-N 2.97Å
327	I	87.7	Confident	89.6	Confident	109 Å²	109	59.3 Å²	59.3	56%	0.559	30%	0.296	S	S	*	.	H	α-helix	trans	-58	-38	178.3	-59.9	172.3	0	0	0	110.7	R330 A331 I420 L423	I327-R330 PolarHBondContact O-N 3.26Å; I327-A331 WeakPolarHBondContact O-CB 3.26Å; I327-A331 PolarHBondContact O-N 3.26Å; I327-I420 HydrophobicContact CG2-CG2 3.83Å; I327-L423 HydrophobicContact CG2-CD2 4.06Å
328	E	86.8	Confident	89.5	Confident	122 Å²	122	62.3 Å²	62.3	57%	0.57	31%	0.313	S	S	*	.	H	α-helix	trans	-67.3	-40.4	174.6	-63.5	178.1	-163.2	0	0	112.8	S326 A331 K332 I420	S326-E328 PolarHBondContact O-N 2.78Å; E328-A331 PolarHBondContact O-N 2.76Å; E328-K332 WeakPolarHBondContact O-CG 3.44Å; E328-K332 PolarHBondContact O-N 2.79Å; E328-I420 HydrophobicContact CG-CD1 4.39Å
329	A	87.2	Confident	89.4	Confident	11 Å²	11	63.2 Å²	63.2	9%	0.091	33%	0.332	C	S	.	.	H	α-helix	trans	-65.1	-40.5	176.2	0	0	0	0	0	111.1	P325 S326 K332 G333 I334	P325-A329 HydrophobicContact CB-CB 4.03Å; S326-A329 PolarHBondContact O-N 2.86Å; S326-A329 WeakPolarHBondContact OG-CB 3.35Å; S326-A329 PolarHBondContact OG-N 2.88Å; S326-A329 VanDerWaalsContact OG-N 3.13Å; A329-K332 CarbonylContact O-C 3.53Å; A329-K332 PolarHBondContact O-N 3.31Å; A329-K332 VanDerWaalsContact O-N 3.15Å; A329-G333 PolarHBondContact O-N 2.83Å; A329-G333 VanDerWaalsContact O-N 3.12Å; A329-I334 HydrophobicContact CB-CB 4.19Å; A329-I334 PolarHBondContact O-N 2.88Å
330	R	89.3	Confident	89.3	Confident	95 Å²	95	65.9 Å²	65.9	36%	0.358	34%	0.34	S	S	.	.	H	α-helix	trans	-61.5	-44.5	172.3	-68.9	179.9	-166.8	-176.6	2.2	112.1	P325 S326 I327 K332 G333 I334 L423	P325-R330 HydrophobicContact CB-CG 4.19Å; P325-R330 HydrophobicContact CG-CG 4.02Å; P325-R330 PolarHBondContact O-NE 3Å; P325-R330 VanDerWaalsContact O-NE 3.14Å; S326-R330 WeakPolarHBondContact O-CG 3.45Å; S326-R330 PolarHBondContact O-N 2.97Å; I327-R330 PolarHBondContact O-N 3.26Å; R330-K332 PolarHBondContact O-N 2.97Å; R330-G333 PolarHBondContact O-N 3.19Å; R330-I334 VanDerWaalsContact CA-O 3.26Å; R330-I334 WeakPolarHBondContact CA-O 3.28Å; R330-I334 VanDerWaalsContact CG-O 3.29Å; R330-I334 WeakPolarHBondContact CG-O 3.37Å; R330-I334 PolarHBondContact N-O 3.43Å; R330-L423 HydrophobicContact CB-CD1 4.07Å; R330-L423 HydrophobicContact CB-CD2 3.7Å
331	A	89.5	Confident	89.3	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.008	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-27.1	175.1	0	0	0	0	0	112.8	I327 E328 G418 I420 L423 L428	I327-A331 WeakPolarHBondContact O-CB 3.26Å; I327-A331 PolarHBondContact O-N 3.26Å; E328-A331 PolarHBondContact O-N 2.76Å; A331-G418 WeakPolarHBondContact O-CA 3.42Å; A331-G418 PolarHBondContact O-N 3.49Å; A331-I420 HydrophobicContact CB-CG1 4.11Å; A331-L423 HydrophobicContact CB-CD2 4.33Å; A331-L428 WeakPolarHBondContact O-CD1 3.39Å
332	K	89	Confident	89.4	Confident	56 Å²	56	68.8 Å²	68.8	24%	0.243	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	3.4	173.1	-65.8	174.8	179.8	174.2	0	114.1	E328 A329 R330 Y439 G440 L450	E328-K332 WeakPolarHBondContact O-CG 3.44Å; E328-K332 PolarHBondContact O-N 2.79Å; A329-K332 CarbonylContact O-C 3.53Å; A329-K332 PolarHBondContact O-N 3.31Å; A329-K332 VanDerWaalsContact O-N 3.15Å; R330-K332 PolarHBondContact O-N 2.97Å; K332-Y439 HydrophobicContact CB-CD1 3.99Å; K332-Y439 HydrophobicContact CB-CG 4.11Å; K332-Y439 HydrophobicContact CD-CD1 4.06Å; K332-Y439 HydrophobicContact CD-CE1 3.81Å; K332-Y439 HydrophobicContact CG-CD1 3.76Å; K332-Y439 HydrophobicContact CG-CD2 4.28Å; K332-Y439 HydrophobicContact CG-CE1 3.9Å; K332-Y439 HydrophobicContact CG-CE2 4.4Å; K332-Y439 HydrophobicContact CG-CG 3.95Å; K332-Y439 WeakPolarHBondContact O-CB 3.36Å; K332-G440 PolarHBondContact O-N 3.24Å; K332-L450 HydrophobicContact CB-CD1 3.92Å; K332-L450 HydrophobicContact CD-CD1 4.01Å; K332-L450 HydrophobicContact CD-CD2 3.93Å
333	G	89.1	Confident	89.5	Confident	0 Å²	0	69.3 Å²	69.3	0%	0	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	103.7	4.1	172.3	0	0	0	0	0	116.4	A329 R330 V335 S412 L413	A329-G333 PolarHBondContact O-N 2.83Å; A329-G333 VanDerWaalsContact O-N 3.12Å; R330-G333 PolarHBondContact O-N 3.19Å; G333-V335 PolarHBondContact O-N 3.27Å; G333-S412 CarbonylContact O-C 3.59Å; G333-S412 WeakPolarHBondContact O-CA 3.43Å; G333-L413 PolarHBondContact O-N 3.32Å
334	I	91.2	Very high	89.6	Confident	11 Å²	11	68.8 Å²	68.8	6%	0.056	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-90.4	100.3	176.2	-48.6	-50.5	0	0	0	109.4	P325 A329 R330 T447 L450 E451	P325-I334 HydrophobicContact CB-CB 4.4Å; P325-I334 HydrophobicContact CB-CG2 4.01Å; P325-I334 WeakPolarHBondContact CB-O 3.3Å; P325-I334 WeakPolarHBondContact CG-O 3.49Å; A329-I334 HydrophobicContact CB-CB 4.19Å; A329-I334 PolarHBondContact O-N 2.88Å; R330-I334 VanDerWaalsContact CA-O 3.26Å; R330-I334 WeakPolarHBondContact CA-O 3.28Å; R330-I334 VanDerWaalsContact CG-O 3.29Å; R330-I334 WeakPolarHBondContact CG-O 3.37Å; R330-I334 PolarHBondContact N-O 3.43Å; I334-T447 HydrophobicContact CD1-CG2 3.92Å; I334-L450 HydrophobicContact CG1-CB 4.12Å; I334-E451 HydrophobicContact CD1-CG 3.63Å; I334-E451 HydrophobicContact CG1-CG 4.16Å; I334-E451 HydrophobicContact CG2-CG 4.1Å
335	V	89.8	Confident	90	Very high	49 Å²	49	60.7 Å²	60.7	30%	0.297	31%	0.313	S	S	.	.			trans	-93.4	-17.2	-176.4	-69	0	0	0	0	113.4	G333 T341 S411 L413	G333-V335 PolarHBondContact O-N 3.27Å; V335-T341 HydrophobicContact CG2-CG2 4.13Å; V335-S411 WeakPolarHBondContact CG2-O 3.45Å; V335-S411 PolarHBondContact N-O 3.21Å; V335-L413 HydrophobicContact CG1-CD1 3.74Å; V335-L413 HydrophobicContact CG1-CG 4.05Å; V335-L413 HydrophobicContact CG2-CG 4.3Å
336	G	89.1	Confident	90.4	Very high	15 Å²	15	64 Å²	64	16%	0.155	33%	0.325	C	S	.	.			trans	84.5	175.1	-170.5	0	0	0	0	0	111.3	D338 S411	G336-D338 PolarHBondContact O-N 3.3Å; G336-S411 PolarHBondContact N-O 3.07Å; G336-S411 VanDerWaalsContact N-O 3.11Å; G336-S411 WeakPolarHBondContact O-CA 3.35Å
337	Y	91.4	Very high	90.7	Very high	106 Å²	106	66.6 Å²	66.6	42%	0.416	33%	0.333	S	S	.	.	S	Bend	trans	-60.9	108.4	-171.6	-68.7	-61	0	0	0	113.5	T321 F322 M407 A410	T321-Y337 VanDerWaalsContact CB-OH 3.28Å; T321-Y337 WeakPolarHBondContact CB-OH 3.44Å; T321-Y337 WeakPolarHBondContact O-CE2 3.34Å; T321-Y337 PolarHBondContact OG1-OH 3.4Å; T321-Y337 VanDerWaalsContact OG1-OH 3.08Å; F322-Y337 AromaticContact CD1-CE2 3.96Å; F322-Y337 HydrophobicContact CD1-CE2 3.96Å; F322-Y337 HydrophobicContact CE1-CE2 4.01Å; Y337-M407 HydrophobicContact CE1-CB 4.35Å; Y337-M407 WeakPolarHBondContact OH-CE 3.32Å; Y337-A410 WeakPolarHBondContact CA-O 3.5Å; Y337-A410 HydrophobicContact CD1-CB 3.87Å; Y337-A410 HydrophobicContact CE1-CB 4.27Å
338	D	90.6	Very high	90.9	Very high	64 Å²	64	63.6 Å²	63.6	34%	0.342	32%	0.321	S	S	.	.			trans	-132.2	135.4	-179.9	167.2	42.9	0	0	0	111.6	G336 E340 T341 M342 A410	G336-D338 PolarHBondContact O-N 3.3Å; D338-E340 PolarHBondContact OD1-N 2.99Å; D338-E340 VanDerWaalsContact OD1-N 3.08Å; D338-E340 PolarHBondContact OD2-N 3.24Å; D338-T341 VanDerWaalsContact OD2-CB 3.28Å; D338-T341 WeakPolarHBondContact OD2-CB 3.42Å; D338-T341 PolarHBondContact OD2-N 2.95Å; D338-T341 PolarHBondContact OD2-OG1 3.4Å; D338-M342 WeakPolarHBondContact O-CB 3.35Å; D338-M342 PolarHBondContact O-N 3.09Å; D338-A410 PolarHBondContact N-O 3.45Å
339	A	91.9	Very high	91.1	Very high	77 Å²	77	60.4 Å²	60.4	64%	0.636	31%	0.308	S	S	*	.	H	α-helix	trans	-72.8	-29.6	-178.9	0	0	0	0	0	112.5	K343	A339-K343 VanDerWaalsContact O-CB 3.31Å; A339-K343 WeakPolarHBondContact O-CB 3.45Å; A339-K343 PolarHBondContact O-N 2.9Å; A339-K343 VanDerWaalsContact O-N 3.07Å
340	E	91.4	Very high	91.3	Very high	131 Å²	131	64.2 Å²	64.2	61%	0.612	32%	0.32	S	S	*	.	H	α-helix	trans	-73	-45.4	176	-177.8	163.2	-167.5	0	0	110.9	D338 M342 K343 N344	D338-E340 PolarHBondContact OD1-N 2.99Å; D338-E340 VanDerWaalsContact OD1-N 3.08Å; D338-E340 PolarHBondContact OD2-N 3.24Å; E340-M342 PolarHBondContact O-N 2.92Å; E340-K343 WeakPolarHBondContact O-CB 3.41Å; E340-K343 PolarHBondContact O-N 3.29Å; E340-K343 VanDerWaalsContact O-N 3.16Å; E340-N344 WeakPolarHBondContact O-CB 3.41Å; E340-N344 PolarHBondContact O-N 3.08Å; E340-N344 PolarHBondContact O-ND2 2.84Å
341	T	90.6	Very high	91.1	Very high	6 Å²	6	62.2 Å²	62.2	4%	0.037	31%	0.313	C	S	.	.	H	α-helix	trans	-55.3	-50.1	171.4	-62.3	0	0	0	0	111.5	V335 D338 K343 N344 N345 S412 L413	V335-T341 HydrophobicContact CG2-CG2 4.13Å; D338-T341 VanDerWaalsContact OD2-CB 3.28Å; D338-T341 WeakPolarHBondContact OD2-CB 3.42Å; D338-T341 PolarHBondContact OD2-N 2.95Å; D338-T341 PolarHBondContact OD2-OG1 3.4Å; T341-K343 VanDerWaalsContact C-N 3.32Å; T341-K343 PolarHBondContact O-N 2.8Å; T341-N344 PolarHBondContact O-N 3.33Å; T341-N345 WeakPolarHBondContact O-CB 3.45Å; T341-N345 PolarHBondContact O-N 3.16Å; T341-N345 PolarHBondContact O-ND2 2.74Å; T341-S412 VanDerWaalsContact CG2-O 3.31Å; T341-S412 WeakPolarHBondContact CG2-O 3.49Å; T341-L413 HydrophobicContact CG2-CD2 4.1Å
342	M	92.5	Very high	90.9	Very high	75 Å²	75	66.2 Å²	66.2	37%	0.369	35%	0.354	S	S	.	.	H	α-helix	trans	-57.4	-43	175.2	-174	-168.2	-71.3	0	0	112.4	I184 D338 E340 N345 F346 A410	I184-M342 HydrophobicContact CD1-CG 4.05Å; D338-M342 WeakPolarHBondContact O-CB 3.35Å; D338-M342 PolarHBondContact O-N 3.09Å; E340-M342 PolarHBondContact O-N 2.92Å; M342-N345 PolarHBondContact O-N 2.74Å; M342-F346 PolarHBondContact O-N 3.49Å; M342-F346 VanDerWaalsContact O-N 3.16Å; M342-A410 HydrophobicContact CB-CB 4.21Å; M342-A410 HydrophobicContact CE-CB 3.52Å; M342-A410 HydrophobicContact CG-CB 4.32Å
343	K	93.7	Very high	90.8	Very high	163 Å²	163	66.3 Å²	66.3	71%	0.709	36%	0.355	S	S	*	.	H	α-helix	trans	-65.5	-42.5	179.1	-177.3	-173.5	176.5	-167.7	0	111.8	A339 E340 T341 N345 F346	A339-K343 VanDerWaalsContact O-CB 3.31Å; A339-K343 WeakPolarHBondContact O-CB 3.45Å; A339-K343 PolarHBondContact O-N 2.9Å; A339-K343 VanDerWaalsContact O-N 3.07Å; E340-K343 WeakPolarHBondContact O-CB 3.41Å; E340-K343 PolarHBondContact O-N 3.29Å; E340-K343 VanDerWaalsContact O-N 3.16Å; T341-K343 VanDerWaalsContact C-N 3.32Å; T341-K343 PolarHBondContact O-N 2.8Å; K343-N345 VanDerWaalsContact C-N 3.33Å; K343-F346 WeakPolarHBondContact O-CB 3.36Å; K343-F346 PolarHBondContact O-N 3.02Å
344	N	91.9	Very high	90.9	Very high	90 Å²	90	70.4 Å²	70.4	48%	0.481	38%	0.377	S	S	.	.	H	α-helix	trans	-66.9	-35.6	178.9	-68.2	-22.2	0	0	0	111.6	E340 T341 R414	E340-N344 WeakPolarHBondContact O-CB 3.41Å; E340-N344 PolarHBondContact O-N 3.08Å; E340-N344 PolarHBondContact O-ND2 2.84Å; T341-N344 PolarHBondContact O-N 3.33Å; N344-R414 PolarHBondContact O-NH1 2.9Å
345	N	94.5	Very high	90.9	Very high	4 Å²	4	72.4 Å²	72.4	2%	0.021	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-4.7	177.4	-68.9	-18.8	0	0	0	114.6	G183 I184 T341 M342 K343 G409 S412	G183-N345 CarbonylContact C-O 3.46Å; G183-N345 WeakPolarHBondContact CA-O 3.38Å; I184-N345 HydrophobicContact CD1-CB 4.04Å; I184-N345 HydrophobicContact CG1-CB 4.33Å; I184-N345 PolarHBondContact N-O 3.5Å; T341-N345 WeakPolarHBondContact O-CB 3.45Å; T341-N345 PolarHBondContact O-N 3.16Å; T341-N345 PolarHBondContact O-ND2 2.74Å; M342-N345 PolarHBondContact O-N 2.74Å; K343-N345 VanDerWaalsContact C-N 3.33Å; N345-G409 WeakPolarHBondContact CB-O 3.27Å; N345-G409 PolarHBondContact ND2-O 3.02Å; N345-S412 PolarHBondContact ND2-O 3.42Å
346	F	93.5	Very high	91	Very high	90 Å²	90	73 Å²	73	40%	0.395	38%	0.384	S	S	.	.	S	Bend	trans	-71.7	-40.4	-171.6	-167.1	-99.1	0	0	0	113.7	I184 A185 M342 K343	I184-F346 HydrophobicContact CB-CD2 4.44Å; I184-F346 PolarHBondContact N-O 3.07Å; A185-F346 HydrophobicContact CB-CD1 4.29Å; A185-F346 HydrophobicContact CB-CE1 3.88Å; A185-F346 HydrophobicContact CB-CE2 4.29Å; A185-F346 HydrophobicContact CB-CZ 3.88Å; A185-F346 PolarHBondContact N-O 3.18Å; M342-F346 PolarHBondContact O-N 3.49Å; M342-F346 VanDerWaalsContact O-N 3.16Å; K343-F346 WeakPolarHBondContact O-CB 3.36Å; K343-F346 PolarHBondContact O-N 3.02Å
347	L	93.3	Very high	90.9	Very high	123 Å²	123	73.9 Å²	73.9	64%	0.644	39%	0.388	S	S	*	.	S	Bend	trans	-93.7	154.1	178.1	-68.9	175	0	0	0	111.2	R414	L347-R414 PolarHBondContact O-NH1 3.28Å; L347-R414 PolarHBondContact O-NH2 2.98Å
348	P	92.9	Very high	90.9	Very high	46 Å²	46	68.8 Å²	68.8	30%	0.299	37%	0.368	S	S	.	.			trans	-64.3	151.5	179.2	27	-37	0	0	0	114.1	Q181 A182 L186 W350	Q181-P348 CarbonylContact O-C 3.56Å; Q181-P348 WeakPolarHBondContact O-CA 3.11Å; Q181-P348 WeakPolarHBondContact O-CB 3.46Å; A182-P348 WeakPolarHBondContact O-CA 3.4Å; A182-P348 WeakPolarHBondContact O-CB 3.31Å; L186-P348 HydrophobicContact CD1-CB 4.19Å; L186-P348 HydrophobicContact CD1-CG 3.78Å; P348-W350 HydrophobicContact CB-CD2 4.35Å; P348-W350 HydrophobicContact CB-CZ2 4.01Å
349	D	90.7	Very high	91	Very high	55 Å²	55	65.8 Å²	65.8	29%	0.294	35%	0.352	S	S	.	.			trans	-132	91.2	165.7	-179.2	29.1	0	0	0	108.3	Q181 R351 R414 H442	Q181-D349 CarbonylContact O-C 3.45Å; Q181-D349 PolarHBondContact O-N 2.91Å; Q181-D349 PolarHBondContact OE1-O 2.78Å; D349-R351 PolarHBondContact O-N 3.21Å; D349-R351 IonicContact OD2-CZ 3.13Å; D349-R351 VanDerWaalsContact OD2-CZ 3.28Å; D349-R351 IonicContact OD2-NE 2.68Å; D349-R351 PolarHBondContact OD2-NE 3.3Å; D349-R351 IonicContact OD2-NH2 3.6Å; D349-R351 PolarHBondContact OD2-NH2 2.92Å; D349-R414 VanDerWaalsContact CB-CZ 3.49Å; D349-H442 PolarHBondContact O-CE1 2.98Å; D349-H442 IonicContact OD2-NE2 3.69Å
350	W	90.6	Very high	90.9	Very high	91 Å²	91	62.2 Å²	62.2	35%	0.345	32%	0.322	S	S	.	.			trans	-81.1	110.2	-172.4	-62.2	112.7	0	0	0	111.8	Q181 A182 L186 P348 D354 F355 V358	Q181-W350 HydrophobicContact CB-CE3 4.29Å; Q181-W350 HydrophobicContact CB-CZ3 4.29Å; A182-W350 HydrophobicContact CB-CH2 3.66Å; A182-W350 HydrophobicContact CB-CZ2 4.31Å; A182-W350 HydrophobicContact CB-CZ3 4.2Å; L186-W350 HydrophobicContact CD1-CZ2 4.17Å; P348-W350 HydrophobicContact CB-CD2 4.35Å; P348-W350 HydrophobicContact CB-CZ2 4.01Å; W350-D354 VanDerWaalsContact CZ3-C 3.48Å; W350-D354 WeakPolarHBondContact CZ3-O 3.49Å; W350-F355 HydrophobicContact CH2-CB 4.11Å; W350-F355 HydrophobicContact CZ2-CB 4.26Å; W350-V358 HydrophobicContact CZ3-CB 4.21Å; W350-V358 HydrophobicContact CZ3-CG2 3.78Å
351	R	86.4	Confident	90.9	Very high	54 Å²	54	56.3 Å²	56.3	20%	0.204	30%	0.295	C	S	.	.	S	Bend	trans	-108.5	85.6	177.1	-59.5	-173.3	-172.4	-179.1	3.5	110.8	D349 E353 D415	D349-R351 PolarHBondContact O-N 3.21Å; D349-R351 IonicContact OD2-CZ 3.13Å; D349-R351 VanDerWaalsContact OD2-CZ 3.28Å; D349-R351 IonicContact OD2-NE 2.68Å; D349-R351 PolarHBondContact OD2-NE 3.3Å; D349-R351 IonicContact OD2-NH2 3.6Å; D349-R351 PolarHBondContact OD2-NH2 2.92Å; R351-E353 VanDerWaalsContact C-N 3.3Å; R351-E353 PolarHBondContact O-N 2.81Å; R351-D415 IonicContact CZ-OD1 3.84Å; R351-D415 IonicContact CZ-OD2 2.71Å; R351-D415 VanDerWaalsContact CZ-OD2 3.32Å; R351-D415 VanDerWaalsContact NH1-CG 3.35Å; R351-D415 IonicContact NH1-OD1 2.71Å; R351-D415 PolarHBondContact NH1-OD1 2.88Å; R351-D415 IonicContact NH1-OD2 3.75Å; R351-D415 PolarHBondContact NH1-OD2 3.43Å; R351-D415 VanDerWaalsContact NH1-OD2 3.14Å; R351-D415 IonicContact NH2-OD1 2.66Å; R351-D415 IonicContact NH2-OD2 2.75Å; R351-D415 PolarHBondContact NH2-OD2 3.36Å
352	G	84.3	Confident	90.9	Very high	85 Å²	85	56.1 Å²	56.1	88%	0.876	29%	0.293	S	S	*	.	S	Bend	trans	79.9	3.1	176.8	0	0	0	0	0	115.7
353	E	88.5	Confident	90.9	Very high	58 Å²	58	52.6 Å²	52.6	27%	0.271	28%	0.276	S	S	.	.			trans	-127.8	163.9	-172.2	-66.3	-71.3	-179.7	0	0	111.3	W177 R351 S357 V358	W177-E353 HydrophobicContact CH2-CG 3.75Å; W177-E353 HydrophobicContact CZ2-CG 3.93Å; R351-E353 VanDerWaalsContact C-N 3.3Å; R351-E353 PolarHBondContact O-N 2.81Å; E353-S357 WeakPolarHBondContact OE2-CB 3.45Å; E353-S357 PolarHBondContact OE2-OG 2.98Å; E353-V358 HydrophobicContact CB-CG2 4Å
354	D	90.3	Very high	90.7	Very high	86 Å²	86	45.5 Å²	45.5	46%	0.46	25%	0.247	S	C	.	.			trans	-127.2	177.9	174.8	80.5	17.9	0	0	0	112.7	W350 F356 S357 V358	W350-D354 VanDerWaalsContact CZ3-C 3.48Å; W350-D354 WeakPolarHBondContact CZ3-O 3.49Å; D354-F356 VanDerWaalsContact C-N 3.26Å; D354-F356 PolarHBondContact O-N 3.11Å; D354-F356 WeakPolarHBondContact OD1-CA 3.41Å; D354-F356 PolarHBondContact OD1-N 3.33Å; D354-S357 PolarHBondContact N-OG 3.49Å; D354-S357 PolarHBondContact O-N 2.99Å; D354-S357 PolarHBondContact O-OG 3.47Å; D354-S357 VanDerWaalsContact O-OG 3.11Å; D354-S357 PolarHBondContact OD1-N 3.43Å; D354-V358 WeakPolarHBondContact O-CB 3.44Å; D354-V358 WeakPolarHBondContact O-CG2 3.5Å; D354-V358 PolarHBondContact O-N 3.08Å
355	F	91.6	Very high	90.5	Very high	52 Å²	52	41.4 Å²	41.4	23%	0.228	23%	0.225	C	C	.	.	H	α-helix	trans	-59.8	-34.7	-179.1	-179.8	-90.3	0	0	0	113.3	L186 V189 I190 W350 L359	L186-F355 HydrophobicContact CB-CE2 4.46Å; V189-F355 HydrophobicContact CG1-CZ 4.42Å; I190-F355 HydrophobicContact CD1-CD2 4.06Å; I190-F355 HydrophobicContact CD1-CE2 3.92Å; I190-F355 HydrophobicContact CG1-CD2 4.13Å; I190-F355 HydrophobicContact CG1-CE2 3.49Å; I190-F355 VanDerWaalsContact CG1-CE2 3.49Å; I190-F355 HydrophobicContact CG1-CZ 3.72Å; W350-F355 HydrophobicContact CH2-CB 4.11Å; W350-F355 HydrophobicContact CZ2-CB 4.26Å; F355-L359 VanDerWaalsContact O-CB 3.24Å; F355-L359 WeakPolarHBondContact O-CB 3.41Å; F355-L359 PolarHBondContact O-N 2.72Å
356	F	90.3	Very high	90.3	Very high	63 Å²	63	41.6 Å²	41.6	28%	0.276	23%	0.227	S	C	.	.	H	α-helix	trans	-86.3	-31.6	-176.2	-66.7	-66.9	0	0	0	112.6	D354 L359 A360 L584	D354-F356 VanDerWaalsContact C-N 3.26Å; D354-F356 PolarHBondContact O-N 3.11Å; D354-F356 WeakPolarHBondContact OD1-CA 3.41Å; D354-F356 PolarHBondContact OD1-N 3.33Å; F356-L359 HydrophobicContact CD1-CD2 4.17Å; F356-L359 PolarHBondContact O-N 2.87Å; F356-A360 WeakPolarHBondContact O-CB 3.43Å; F356-A360 PolarHBondContact O-N 3.08Å; F356-L584 HydrophobicContact CD1-CB 3.78Å; F356-L584 HydrophobicContact CE1-CB 3.69Å; F356-L584 HydrophobicContact CE1-CD1 3.82Å; F356-L584 HydrophobicContact CE1-CG 4.22Å; F356-L584 HydrophobicContact CE2-CD2 4.41Å; F356-L584 HydrophobicContact CG-CB 4.27Å; F356-L584 HydrophobicContact CZ-CB 4.1Å; F356-L584 HydrophobicContact CZ-CD1 3.98Å; F356-L584 HydrophobicContact CZ-CD2 4.12Å; F356-L584 HydrophobicContact CZ-CG 4.29Å
357	S	88.8	Confident	89.9	Confident	32 Å²	32	37.5 Å²	37.5	22%	0.224	21%	0.209	C	C	.	.	H	α-helix	trans	-66.6	-45	170.7	71.3	0	0	0	0	110.9	E353 D354 L359 A360 I361	E353-S357 WeakPolarHBondContact OE2-CB 3.45Å; E353-S357 PolarHBondContact OE2-OG 2.98Å; D354-S357 PolarHBondContact N-OG 3.49Å; D354-S357 PolarHBondContact O-N 2.99Å; D354-S357 PolarHBondContact O-OG 3.47Å; D354-S357 VanDerWaalsContact O-OG 3.11Å; D354-S357 PolarHBondContact OD1-N 3.43Å; S357-L359 PolarHBondContact O-N 2.55Å; S357-A360 WeakPolarHBondContact O-CA 3.39Å; S357-A360 WeakPolarHBondContact O-CB 3.49Å; S357-A360 PolarHBondContact O-N 3Å; S357-I361 WeakPolarHBondContact O-CG1 3.47Å; S357-I361 PolarHBondContact O-N 2.86Å
358	V	91.6	Very high	89.4	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-65.9	-37	175	175.8	0	0	0	0	111.6	W177 I178 Q181 I190 W350 E353 D354 A360 I361 Y362	W177-V358 HydrophobicContact CH2-CG2 4.39Å; W177-V358 HydrophobicContact CZ3-CG2 4.22Å; I178-V358 HydrophobicContact CB-CG1 4.12Å; I178-V358 HydrophobicContact CG1-CG1 3.96Å; I178-V358 HydrophobicContact CG2-CG1 3.71Å; Q181-V358 HydrophobicContact CB-CG2 4.26Å; I190-V358 HydrophobicContact CD1-CB 4.42Å; I190-V358 HydrophobicContact CD1-CG1 3.91Å; W350-V358 HydrophobicContact CZ3-CB 4.21Å; W350-V358 HydrophobicContact CZ3-CG2 3.78Å; E353-V358 HydrophobicContact CB-CG2 4Å; D354-V358 WeakPolarHBondContact O-CB 3.44Å; D354-V358 WeakPolarHBondContact O-CG2 3.5Å; D354-V358 PolarHBondContact O-N 3.08Å; V358-A360 VanDerWaalsContact C-N 3.34Å; V358-A360 PolarHBondContact O-N 3.27Å; V358-I361 PolarHBondContact O-N 3.18Å; V358-Y362 WeakPolarHBondContact O-CB 3.29Å; V358-Y362 PolarHBondContact O-N 2.98Å
359	L	91.6	Very high	89.2	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.167	C	C	.	.	H	α-helix	trans	-61	-40.3	168.9	177.6	65.7	0	0	0	112.1	I190 S194 F355 F356 S357 I361 Y362 F363 L581 I585	I190-L359 HydrophobicContact CG2-CD1 3.88Å; S194-L359 VanDerWaalsContact OG-CD1 3.29Å; S194-L359 WeakPolarHBondContact OG-CD1 3.34Å; F355-L359 VanDerWaalsContact O-CB 3.24Å; F355-L359 WeakPolarHBondContact O-CB 3.41Å; F355-L359 PolarHBondContact O-N 2.72Å; F356-L359 HydrophobicContact CD1-CD2 4.17Å; F356-L359 PolarHBondContact O-N 2.87Å; S357-L359 PolarHBondContact O-N 2.55Å; L359-I361 VanDerWaalsContact C-N 3.33Å; L359-Y362 PolarHBondContact O-N 2.46Å; L359-F363 VanDerWaalsContact O-CB 3.3Å; L359-F363 WeakPolarHBondContact O-CB 3.46Å; L359-F363 PolarHBondContact O-N 2.74Å; L359-L581 HydrophobicContact CD2-CD2 3.92Å; L359-I585 HydrophobicContact CD2-CD1 4.42Å; L359-I585 HydrophobicContact CG-CD1 4.39Å
360	A	90.1	Very high	89	Confident	2 Å²	2	27.2 Å²	27.2	2%	0.017	15%	0.154	C	C	.	.	H	α-helix	trans	-68.3	-31.4	179	0	0	0	0	0	113.2	F356 S357 V358 P364 P531 S534 I585	F356-A360 WeakPolarHBondContact O-CB 3.43Å; F356-A360 PolarHBondContact O-N 3.08Å; S357-A360 WeakPolarHBondContact O-CA 3.39Å; S357-A360 WeakPolarHBondContact O-CB 3.49Å; S357-A360 PolarHBondContact O-N 3Å; V358-A360 VanDerWaalsContact C-N 3.34Å; V358-A360 PolarHBondContact O-N 3.27Å; A360-P364 WeakPolarHBondContact O-CD 3.41Å; A360-P531 HydrophobicContact CB-CG 4.39Å; A360-S534 PolarHBondContact O-OG 3.15Å; A360-I585 HydrophobicContact CB-CB 4.4Å; A360-I585 HydrophobicContact CB-CD1 4.07Å; A360-I585 HydrophobicContact CB-CG1 4.08Å; A360-I585 HydrophobicContact CB-CG2 3.5Å
361	I	90.5	Very high	88.6	Confident	7 Å²	7	23.2 Å²	23.2	4%	0.036	14%	0.14	C	C	.	.	H	α-helix	trans	-75.6	-35.6	172.5	-65.6	166	0	0	0	111.2	I170 W177 S357 V358 L359 P364 A530	I170-I361 WeakPolarHBondContact CD1-O 3.15Å; W177-I361 HydrophobicContact CH2-CD1 3.81Å; W177-I361 HydrophobicContact CZ3-CD1 3.74Å; W177-I361 HydrophobicContact CZ3-CG2 4.35Å; S357-I361 WeakPolarHBondContact O-CG1 3.47Å; S357-I361 PolarHBondContact O-N 2.86Å; V358-I361 PolarHBondContact O-N 3.18Å; L359-I361 VanDerWaalsContact C-N 3.33Å; I361-P364 WeakPolarHBondContact O-CD 3.26Å; I361-A530 HydrophobicContact CG1-CB 4.29Å
362	Y	92	Very high	88.3	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.008	13%	0.13	C	C	.	.	H	α-helix	trans	-74.6	-46.4	178.3	178.6	-100.9	0	0	0	113.9	I170 L175 I178 I190 V191 S194 V358 L359 P364 A365 V366 Y401	I170-Y362 HydrophobicContact CG2-CD2 4.49Å; L175-Y362 HydrophobicContact CD1-CE2 4.24Å; I178-Y362 HydrophobicContact CD1-CD2 3.92Å; I178-Y362 HydrophobicContact CD1-CG 4.42Å; I190-Y362 HydrophobicContact CG2-CD1 3.65Å; I190-Y362 HydrophobicContact CG2-CG 3.7Å; V191-Y362 HydrophobicContact CB-CE1 4.5Å; V191-Y362 HydrophobicContact CG2-CE1 4.25Å; V191-Y362 HydrophobicContact CG2-CE2 3.98Å; S194-Y362 WeakPolarHBondContact OG-CD1 3.4Å; V358-Y362 WeakPolarHBondContact O-CB 3.29Å; V358-Y362 PolarHBondContact O-N 2.98Å; L359-Y362 PolarHBondContact O-N 2.46Å; Y362-P364 VanDerWaalsContact C-N 3.3Å; Y362-P364 VanDerWaalsContact O-CD 3.32Å; Y362-P364 WeakPolarHBondContact O-CD 3.48Å; Y362-A365 HydrophobicContact CE2-CB 4.31Å; Y362-A365 VanDerWaalsContact O-CB 3.24Å; Y362-A365 WeakPolarHBondContact O-CB 3.44Å; Y362-A365 PolarHBondContact O-N 2.75Å; Y362-V366 HydrophobicContact CE1-CG2 3.72Å; Y362-Y401 AromaticContact CE2-CD1 3.76Å; Y362-Y401 HydrophobicContact CE2-CD1 3.76Å; Y362-Y401 AromaticContact CE2-CE1 3.96Å; Y362-Y401 HydrophobicContact CE2-CE1 3.96Å; Y362-Y401 WeakPolarHBondContact OH-CD1 3.37Å
363	F	91.1	Very high	88.2	Confident	1 Å²	1	16.6 Å²	16.6	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-51	-32.8	-169.7	-176.5	-92.5	0	0	0	116.2	V197 L359 A365 V366 A367 F537 M538 Y541	V197-F363 HydrophobicContact CG1-CE2 3.98Å; V197-F363 HydrophobicContact CG1-CZ 4.33Å; L359-F363 VanDerWaalsContact O-CB 3.3Å; L359-F363 WeakPolarHBondContact O-CB 3.46Å; L359-F363 PolarHBondContact O-N 2.74Å; F363-A365 PolarHBondContact O-N 3.3Å; F363-A365 VanDerWaalsContact O-N 3.15Å; F363-V366 PolarHBondContact O-N 3.47Å; F363-A367 PolarHBondContact O-N 3.32Å; F363-F537 HydrophobicContact CE1-CB 3.95Å; F363-M538 HydrophobicContact CB-CE 4.33Å; F363-M538 HydrophobicContact CD1-CE 3.99Å; F363-M538 HydrophobicContact CD1-CG 4.34Å; F363-M538 HydrophobicContact CD2-CE 3.41Å; F363-M538 VanDerWaalsContact CD2-CE 3.41Å; F363-M538 HydrophobicContact CE1-CE 4.09Å; F363-M538 HydrophobicContact CE1-CG 3.66Å; F363-M538 HydrophobicContact CE2-CE 3.54Å; F363-M538 HydrophobicContact CE2-CG 4.1Å; F363-M538 HydrophobicContact CG-CE 3.64Å; F363-M538 HydrophobicContact CZ-CE 3.88Å; F363-M538 HydrophobicContact CZ-CG 3.51Å; F363-Y541 HydrophobicContact CE1-CE2 4.41Å; F363-Y541 AromaticContact CZ-CD2 3.96Å; F363-Y541 HydrophobicContact CZ-CD2 3.96Å; F363-Y541 AromaticContact CZ-CE2 3.83Å; F363-Y541 HydrophobicContact CZ-CE2 3.83Å
364	P	89.2	Confident	87.8	Confident	14 Å²	14	14.6 Å²	14.6	9%	0.091	8%	0.079	C	C	.	.	H	α-helix	trans	-62.8	-20.5	177.1	-18.7	32.4	0	0	0	113.7	I170 A360 I361 Y362 A367 A530 I533 S534	I170-P364 HydrophobicContact CD1-CB 3.66Å; I170-P364 HydrophobicContact CD1-CG 4.06Å; A360-P364 WeakPolarHBondContact O-CD 3.41Å; I361-P364 WeakPolarHBondContact O-CD 3.26Å; Y362-P364 VanDerWaalsContact C-N 3.3Å; Y362-P364 VanDerWaalsContact O-CD 3.32Å; Y362-P364 WeakPolarHBondContact O-CD 3.48Å; P364-A367 WeakPolarHBondContact O-CB 3.46Å; P364-A367 PolarHBondContact O-N 3.04Å; P364-A530 HydrophobicContact CG-CB 4.41Å; P364-I533 HydrophobicContact CB-CD1 4.09Å; P364-I533 HydrophobicContact CB-CG1 4.37Å; P364-I533 HydrophobicContact CB-CG2 3.98Å; P364-I533 HydrophobicContact CG-CG2 3.63Å; P364-S534 WeakPolarHBondContact CD-OG 3.38Å; P364-S534 WeakPolarHBondContact CG-OG 3.46Å
365	A	89.1	Confident	87	Confident	4 Å²	4	11 Å²	11	3%	0.033	6%	0.06	C	C	.	.	H	α-helix	trans	-60.6	-45.9	169.7	0	0	0	0	0	111.5	V166 I170 Y362 F363 A367 Y401	V166-A365 WeakPolarHBondContact CA-O 3.29Å; V166-A365 WeakPolarHBondContact CG1-O 3.36Å; I170-A365 HydrophobicContact CB-CB 4.13Å; I170-A365 HydrophobicContact CD1-CB 4.35Å; I170-A365 HydrophobicContact CG2-CB 3.9Å; Y362-A365 HydrophobicContact CE2-CB 4.31Å; Y362-A365 VanDerWaalsContact O-CB 3.24Å; Y362-A365 WeakPolarHBondContact O-CB 3.44Å; Y362-A365 PolarHBondContact O-N 2.75Å; F363-A365 PolarHBondContact O-N 3.3Å; F363-A365 VanDerWaalsContact O-N 3.15Å; A365-A367 VanDerWaalsContact C-N 3.32Å; A365-A367 PolarHBondContact O-N 2.88Å; A365-Y401 HydrophobicContact CB-CE1 3.91Å
366	V	88.9	Confident	86	Confident	8 Å²	8	8.5 Å²	8.5	5%	0.048	5%	0.049	C	C	.	.	H	α-helix	trans	-76.8	-21.7	-179.4	-174.4	0	0	0	0	111.6	Y362 F363 G368 F369	Y362-V366 HydrophobicContact CE1-CG2 3.72Å; F363-V366 PolarHBondContact O-N 3.47Å; V366-G368 PolarHBondContact O-N 3.02Å; V366-F369 VanDerWaalsContact O-CD1 3.28Å; V366-F369 WeakPolarHBondContact O-CD1 3.26Å
367	A	86.9	Confident	85	Confident	3 Å²	3	6.4 Å²	6.4	3%	0.025	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-58.9	-22.8	-176.7	0	0	0	0	0	114.9	F363 P364 A365 F369 F537 Y541	F363-A367 PolarHBondContact O-N 3.32Å; P364-A367 WeakPolarHBondContact O-CB 3.46Å; P364-A367 PolarHBondContact O-N 3.04Å; A365-A367 VanDerWaalsContact C-N 3.32Å; A365-A367 PolarHBondContact O-N 2.88Å; A367-F369 VanDerWaalsContact C-N 3.33Å; A367-F369 PolarHBondContact O-N 2.88Å; A367-F537 HydrophobicContact CB-CB 4.2Å; A367-F537 HydrophobicContact CB-CD1 3.83Å; A367-F537 HydrophobicContact CB-CD2 3.93Å; A367-F537 HydrophobicContact CB-CE1 4.04Å; A367-F537 HydrophobicContact CB-CE2 4.16Å; A367-F537 HydrophobicContact CB-CG 3.74Å; A367-F537 HydrophobicContact CB-CZ 4.22Å; A367-F537 WeakPolarHBondContact O-CE1 3.3Å; A367-Y541 WeakPolarHBondContact CA-OH 3.37Å; A367-Y541 PolarHBondContact O-OH 2.92Å
368	G	82.1	Confident	84.2	Confident	7 Å²	7	8.1 Å²	8.1	7%	0.072	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-70.4	-12	-175.5	0	0	0	0	0	117.4	S165 V366 M370 T371	S165-G368 WeakPolarHBondContact CB-O 3.4Å; S165-G368 WeakPolarHBondContact O-CA 3.29Å; S165-G368 VanDerWaalsContact OG-CA 3.29Å; S165-G368 WeakPolarHBondContact OG-CA 3.5Å; S165-G368 PolarHBondContact OG-O 3.3Å; V366-G368 PolarHBondContact O-N 3.02Å; G368-M370 PolarHBondContact O-N 2.97Å; G368-T371 WeakPolarHBondContact O-CB 3.47Å; G368-T371 PolarHBondContact O-N 3.09Å; G368-T371 VanDerWaalsContact O-N 3.07Å; G368-T371 PolarHBondContact O-OG1 3.28Å; G368-T371 VanDerWaalsContact O-OG1 3.08Å
369	F	88.2	Confident	83.6	Confident	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-61	-24.9	-168.8	73.9	-103.4	0	0	0	114.3	S162 V166 T201 V366 A367 T371 T390 I394 Y541	S162-F369 WeakPolarHBondContact CB-O 3.3Å; S162-F369 PolarHBondContact OG-O 3.4Å; V166-F369 HydrophobicContact CG2-CB 4.37Å; T201-F369 HydrophobicContact CG2-CZ 3.99Å; V366-F369 VanDerWaalsContact O-CD1 3.28Å; V366-F369 WeakPolarHBondContact O-CD1 3.26Å; A367-F369 VanDerWaalsContact C-N 3.33Å; A367-F369 PolarHBondContact O-N 2.88Å; F369-T371 VanDerWaalsContact C-N 3.34Å; F369-T390 HydrophobicContact CB-CG2 4.41Å; F369-T390 HydrophobicContact CD2-CG2 3.52Å; F369-T390 HydrophobicContact CE2-CG2 4.27Å; F369-T390 HydrophobicContact CG-CG2 4.35Å; F369-I394 HydrophobicContact CB-CD1 4.09Å; F369-I394 HydrophobicContact CB-CG1 3.78Å; F369-I394 HydrophobicContact CD1-CD1 4.23Å; F369-I394 HydrophobicContact CD1-CG1 4.45Å; F369-I394 HydrophobicContact CD2-CD1 4.06Å; F369-I394 HydrophobicContact CG-CD1 3.87Å; F369-I394 HydrophobicContact CG-CG1 4.09Å; F369-Y541 HydrophobicContact CE1-CE1 4.26Å; F369-Y541 AromaticContact CE1-CE2 3.75Å; F369-Y541 HydrophobicContact CE1-CE2 3.75Å; F369-Y541 AromaticContact CE1-CZ 3.53Å; F369-Y541 VanDerWaalsContact CE1-OH 3.3Å; F369-Y541 WeakPolarHBondContact CE1-OH 3.33Å; F369-Y541 HydrophobicContact CZ-CE1 4.06Å; F369-Y541 HydrophobicContact CZ-CE2 4.22Å; F369-Y541 AromaticContact CZ-CZ 3.8Å
370	M	86.2	Confident	83.1	Confident	1 Å²	1	15 Å²	15	1%	0.005	8%	0.082	C	C	.	.	G	3₁₀ helix	trans	-77.6	-12.9	-179.5	-67.7	-169.6	60.8	0	0	114.2	L205 V219 F239 G368 G372 A373 N374 Y541 I544	L205-M370 HydrophobicContact CD1-CE 4.41Å; L205-M370 HydrophobicContact CD2-CE 4.22Å; L205-M370 HydrophobicContact CD2-CG 4.22Å; V219-M370 HydrophobicContact CB-CE 4.36Å; V219-M370 HydrophobicContact CG1-CE 3.73Å; V219-M370 HydrophobicContact CG2-CE 4.22Å; F239-M370 HydrophobicContact CE1-CE 3.85Å; F239-M370 HydrophobicContact CE2-CB 4.46Å; F239-M370 HydrophobicContact CZ-CB 3.86Å; F239-M370 HydrophobicContact CZ-CE 3.86Å; F239-M370 HydrophobicContact CZ-SD 4.2Å; G368-M370 PolarHBondContact O-N 2.97Å; M370-G372 VanDerWaalsContact C-N 3.33Å; M370-G372 PolarHBondContact O-N 3.19Å; M370-A373 WeakPolarHBondContact O-CB 3.45Å; M370-A373 PolarHBondContact O-N 3.37Å; M370-N374 PolarHBondContact O-N 3.33Å; M370-N374 VanDerWaalsContact O-N 3.15Å; M370-Y541 HydrophobicContact CG-CE1 4.37Å; M370-Y541 HydrophobicContact SD-CD1 4.13Å; M370-Y541 HydrophobicContact SD-CE1 3.54Å; M370-Y541 VanDerWaalsContact SD-CE1 3.54Å; M370-I544 HydrophobicContact CE-CD1 3.76Å; M370-I544 HydrophobicContact SD-CD1 4.05Å
371	T	83.2	Confident	82.9	Confident	8 Å²	8	19.6 Å²	19.6	5%	0.049	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-41.4	-175.4	-58.5	0	0	0	0	112.5	S165 G368 F369 A373 N374	S165-T371 PolarHBondContact OG-OG1 2.88Å; G368-T371 WeakPolarHBondContact O-CB 3.47Å; G368-T371 PolarHBondContact O-N 3.09Å; G368-T371 VanDerWaalsContact O-N 3.07Å; G368-T371 PolarHBondContact O-OG1 3.28Å; G368-T371 VanDerWaalsContact O-OG1 3.08Å; F369-T371 VanDerWaalsContact C-N 3.34Å; T371-A373 VanDerWaalsContact C-N 3.32Å; T371-A373 PolarHBondContact O-N 3.05Å; T371-N374 PolarHBondContact O-N 2.65Å
372	G	79.1	Confident	82.5	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-31.3	174.5	0	0	0	0	0	114.2	S162 M370	S162-G372 PolarHBondContact OG-N 2.87Å; M370-G372 VanDerWaalsContact C-N 3.33Å; M370-G372 PolarHBondContact O-N 3.19Å
373	A	82.7	Confident	82.2	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-76.9	-24.6	177.9	0	0	0	0	0	112.7	L205 V219 M370 T371 I375 S376 I386	L205-A373 HydrophobicContact CD2-CB 4.06Å; V219-A373 VanDerWaalsContact CG2-C 3.47Å; V219-A373 HydrophobicContact CG2-CB 3.43Å; V219-A373 VanDerWaalsContact CG2-CB 3.43Å; V219-A373 WeakPolarHBondContact CG2-O 3.41Å; M370-A373 WeakPolarHBondContact O-CB 3.45Å; M370-A373 PolarHBondContact O-N 3.37Å; T371-A373 VanDerWaalsContact C-N 3.32Å; T371-A373 PolarHBondContact O-N 3.05Å; A373-I375 PolarHBondContact O-N 3.22Å; A373-S376 VanDerWaalsContact O-CB 3.31Å; A373-S376 WeakPolarHBondContact O-CB 3.45Å; A373-S376 PolarHBondContact O-N 3.13Å; A373-I386 HydrophobicContact CB-CD1 4.47Å; A373-I386 HydrophobicContact CB-CG1 4.45Å; A373-I386 HydrophobicContact CB-CG2 3.8Å
374	N	80.1	Confident	82	Confident	15 Å²	15	27.3 Å²	27.3	8%	0.08	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-66.2	-17.5	178	-77.2	-25.2	0	0	0	113.6	G218 V219 F239 M370 T371	G218-N374 VanDerWaalsContact CA-O 3.22Å; G218-N374 WeakPolarHBondContact CA-O 3.46Å; V219-N374 WeakPolarHBondContact CG2-OD1 3.46Å; F239-N374 VanDerWaalsContact CE1-OD1 3.31Å; F239-N374 WeakPolarHBondContact CE1-OD1 3.3Å; F239-N374 VanDerWaalsContact CZ-ND2 3.3Å; F239-N374 WeakPolarHBondContact CZ-ND2 3.49Å; M370-N374 PolarHBondContact O-N 3.33Å; M370-N374 VanDerWaalsContact O-N 3.15Å; T371-N374 PolarHBondContact O-N 2.65Å
375	I	73.6	Confident	82	Confident	10 Å²	10	26.8 Å²	26.8	5%	0.051	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-104.6	25.8	-179.1	-51.4	169	0	0	0	110.2	A373 G377 D378	A373-I375 PolarHBondContact O-N 3.22Å; I375-G377 PolarHBondContact O-N 3.13Å; I375-D378 HydrophobicContact CG2-CB 4Å; I375-D378 WeakPolarHBondContact CG2-OD2 3.36Å; I375-D378 PolarHBondContact O-N 3.49Å
376	S	70.3	Confident	82	Confident	1 Å²	1	26.6 Å²	26.6	1%	0.007	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-56.5	-25.8	-176.3	63.9	0	0	0	0	115.3	V214 G218 A373 D378 L379	V214-S376 WeakPolarHBondContact CG1-OG 3.19Å; G218-S376 WeakPolarHBondContact CA-OG 3.45Å; G218-S376 PolarHBondContact O-OG 3.29Å; A373-S376 VanDerWaalsContact O-CB 3.31Å; A373-S376 WeakPolarHBondContact O-CB 3.45Å; A373-S376 PolarHBondContact O-N 3.13Å; S376-D378 VanDerWaalsContact C-N 3.3Å; S376-D378 PolarHBondContact O-N 3.45Å; S376-L379 PolarHBondContact O-N 3.49Å
377	G	69.1	Low	82.2	Confident	18 Å²	18	26.6 Å²	26.6	19%	0.186	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-61.8	-34.2	175.7	0	0	0	0	0	114.7	I375 L379	I375-G377 PolarHBondContact O-N 3.13Å; G377-L379 VanDerWaalsContact C-N 3.35Å
378	D	73.5	Confident	82.4	Confident	69 Å²	69	32.8 Å²	32.8	37%	0.369	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-91.1	-2.1	-175.1	-55.1	-35	0	0	0	111.7	K151 L152 I375 S376	K151-D378 CarbonylContact C-O 3.55Å; K151-D378 VanDerWaalsContact CA-O 3.23Å; K151-D378 WeakPolarHBondContact CA-O 3.45Å; L152-D378 HydrophobicContact CD1-CB 4.25Å; L152-D378 PolarHBondContact N-O 2.88Å; I375-D378 HydrophobicContact CG2-CB 4Å; I375-D378 WeakPolarHBondContact CG2-OD2 3.36Å; I375-D378 PolarHBondContact O-N 3.49Å; S376-D378 VanDerWaalsContact C-N 3.3Å; S376-D378 PolarHBondContact O-N 3.45Å
379	L	79	Confident	82.9	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-79.6	144.4	178.2	-60.1	178.5	0	0	0	111.9	K151 L152 V158 S376 G377 P382 A385 I386	K151-L379 WeakPolarHBondContact CD-O 3.31Å; K151-L379 PolarHBondContact NZ-O 2.85Å; L152-L379 HydrophobicContact CB-CD2 4.28Å; V158-L379 HydrophobicContact CG2-CD1 3.48Å; V158-L379 VanDerWaalsContact CG2-CD1 3.48Å; V158-L379 HydrophobicContact CG2-CD2 3.79Å; V158-L379 HydrophobicContact CG2-CG 4.31Å; S376-L379 PolarHBondContact O-N 3.49Å; G377-L379 VanDerWaalsContact C-N 3.35Å; L379-P382 HydrophobicContact CB-CB 4.18Å; L379-P382 HydrophobicContact CD1-CB 4.15Å; L379-A385 HydrophobicContact CD1-CB 4.1Å; L379-I386 HydrophobicContact CD1-CD1 4.25Å; L379-I386 HydrophobicContact CD1-CG1 3.78Å
380	K	80.7	Confident	83.1	Confident	145 Å²	145	32.5 Å²	32.5	63%	0.63	17%	0.167	S	C	*	.	S	Bend	trans	-62.3	-55.2	175.3	-171	175.1	179	178.2	0	111.6	K151 L152	K151-K380 HydrophobicContact CB-CB 4.06Å; L152-K380 PolarHBondContact O-N 3.33Å
381	N	84.4	Confident	83.4	Confident	98 Å²	98	34 Å²	34	52%	0.524	18%	0.175	S	C	.	.	S	Bend	trans	-131.6	71.5	-176.9	-67.1	-9	0	0	0	110.7	E383 T384 A385	N381-E383 VanDerWaalsContact C-N 3.32Å; N381-E383 PolarHBondContact O-N 3.5Å; N381-T384 WeakPolarHBondContact CB-OG1 3.25Å; N381-T384 PolarHBondContact O-N 2.87Å; N381-T384 VanDerWaalsContact O-N 3.11Å; N381-T384 PolarHBondContact O-OG1 3.43Å; N381-T384 VanDerWaalsContact O-OG1 3.05Å; N381-A385 VanDerWaalsContact O-CB 3.31Å; N381-A385 WeakPolarHBondContact O-CB 3.27Å; N381-A385 PolarHBondContact O-N 2.7Å
382	P	84.1	Confident	83.9	Confident	14 Å²	14	37 Å²	37	9%	0.091	19%	0.191	C	C	.	.	H	α-helix	trans	-52.5	-42.5	-172.1	18.4	-32.7	0	0	0	114.4	V214 L379 T384 A385 I386	V214-P382 HydrophobicContact CB-CB 3.82Å; V214-P382 HydrophobicContact CB-CG 3.63Å; V214-P382 HydrophobicContact CG1-CB 3.82Å; V214-P382 HydrophobicContact CG1-CG 3.99Å; V214-P382 HydrophobicContact CG2-CB 4.2Å; V214-P382 HydrophobicContact CG2-CG 4.33Å; L379-P382 HydrophobicContact CB-CB 4.18Å; L379-P382 HydrophobicContact CD1-CB 4.15Å; P382-T384 PolarHBondContact O-N 3.28Å; P382-T384 VanDerWaalsContact O-N 3.14Å; P382-A385 PolarHBondContact O-N 3.11Å; P382-A385 VanDerWaalsContact O-N 3.12Å; P382-I386 HydrophobicContact CB-CD1 4.15Å; P382-I386 WeakPolarHBondContact O-CG1 3.45Å; P382-I386 PolarHBondContact O-N 3.35Å
383	E	84.8	Confident	84.6	Confident	80 Å²	80	37 Å²	37	37%	0.374	19%	0.191	S	C	.	.	H	α-helix	trans	-54.3	-33.5	179.9	-62.5	165.4	-155.6	0	0	113.2	T210 V214 N381 P387	T210-E383 WeakPolarHBondContact CG2-O 3.34Å; V214-E383 HydrophobicContact CG2-CG 4.35Å; N381-E383 VanDerWaalsContact C-N 3.32Å; N381-E383 PolarHBondContact O-N 3.5Å; E383-P387 VanDerWaalsContact O-CD 3.28Å; E383-P387 WeakPolarHBondContact O-CD 3.48Å; E383-P387 WeakPolarHBondContact O-CG 3.36Å
384	T	86.6	Confident	85.1	Confident	78 Å²	78	37.3 Å²	37.3	48%	0.479	19%	0.192	S	C	.	.	H	α-helix	trans	-99.4	-26	177.6	64.3	0	0	0	0	113.3	N381 P382 K388	N381-T384 WeakPolarHBondContact CB-OG1 3.25Å; N381-T384 PolarHBondContact O-N 2.87Å; N381-T384 VanDerWaalsContact O-N 3.11Å; N381-T384 PolarHBondContact O-OG1 3.43Å; N381-T384 VanDerWaalsContact O-OG1 3.05Å; P382-T384 PolarHBondContact O-N 3.28Å; P382-T384 VanDerWaalsContact O-N 3.14Å; T384-K388 WeakPolarHBondContact O-CG 3.31Å
385	A	89.8	Confident	85.7	Confident	4 Å²	4	40.3 Å²	40.3	3%	0.033	21%	0.211	C	C	.	.	H	α-helix	trans	-77.8	-42.7	-174.7	0	0	0	0	0	112.1	W154 V158 L379 N381 P382 G389	W154-A385 HydrophobicContact CB-CB 3.49Å; W154-A385 VanDerWaalsContact CB-CB 3.49Å; V158-A385 HydrophobicContact CG2-CB 4.26Å; L379-A385 HydrophobicContact CD1-CB 4.1Å; N381-A385 VanDerWaalsContact O-CB 3.31Å; N381-A385 WeakPolarHBondContact O-CB 3.27Å; N381-A385 PolarHBondContact O-N 2.7Å; P382-A385 PolarHBondContact O-N 3.11Å; P382-A385 VanDerWaalsContact O-N 3.12Å; A385-G389 PolarHBondContact O-N 3.33Å
386	I	89.3	Confident	86.7	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.2	-52.2	-176.8	-61.7	166.3	0	0	0	111.1	V158 C209 I222 A373 L379 P382 K388 G389 T390	V158-I386 HydrophobicContact CG2-CG1 4.32Å; C209-I386 HydrophobicContact CB-CD1 4.37Å; I222-I386 HydrophobicContact CD1-CD1 4.5Å; A373-I386 HydrophobicContact CB-CD1 4.47Å; A373-I386 HydrophobicContact CB-CG1 4.45Å; A373-I386 HydrophobicContact CB-CG2 3.8Å; L379-I386 HydrophobicContact CD1-CD1 4.25Å; L379-I386 HydrophobicContact CD1-CG1 3.78Å; P382-I386 HydrophobicContact CB-CD1 4.15Å; P382-I386 WeakPolarHBondContact O-CG1 3.45Å; P382-I386 PolarHBondContact O-N 3.35Å; I386-K388 VanDerWaalsContact C-N 3.33Å; I386-K388 PolarHBondContact O-N 3.12Å; I386-G389 PolarHBondContact O-N 3.37Å; I386-T390 VanDerWaalsContact O-CB 3.26Å; I386-T390 WeakPolarHBondContact O-CB 3.36Å; I386-T390 PolarHBondContact O-N 3.18Å; I386-T390 PolarHBondContact O-OG1 3.48Å
387	P	91.9	Very high	87.7	Confident	8 Å²	8	43.1 Å²	43.1	5%	0.052	23%	0.225	C	C	.	.	H	α-helix	trans	-59.9	-41.7	-179.7	-24.7	35.7	0	0	0	113.1	S206 T210 E383 L391 F563	S206-P387 WeakPolarHBondContact OG-CA 3.32Å; S206-P387 WeakPolarHBondContact OG-CB 3.39Å; T210-P387 HydrophobicContact CG2-CG 4.3Å; E383-P387 VanDerWaalsContact O-CD 3.28Å; E383-P387 WeakPolarHBondContact O-CD 3.48Å; E383-P387 WeakPolarHBondContact O-CG 3.36Å; P387-L391 VanDerWaalsContact O-CB 3.28Å; P387-L391 WeakPolarHBondContact O-CB 3.34Å; P387-L391 WeakPolarHBondContact O-CD1 3.15Å; P387-L391 VanDerWaalsContact O-CG 3.24Å; P387-L391 WeakPolarHBondContact O-CG 3.01Å; P387-L391 PolarHBondContact O-N 3.44Å; P387-F563 HydrophobicContact CB-CD2 4.2Å; P387-F563 HydrophobicContact CB-CE2 3.82Å
388	K	91.8	Very high	88.9	Confident	133 Å²	133	43 Å²	43	58%	0.578	22%	0.222	S	C	*	.	H	α-helix	trans	-68.2	-51.5	178.9	-70.6	-176.6	177.6	-173.6	0	112	W154 T384 I386 L392	W154-K388 HydrophobicContact CE3-CB 4.14Å; W154-K388 HydrophobicContact CZ3-CB 4.45Å; T384-K388 WeakPolarHBondContact O-CG 3.31Å; I386-K388 VanDerWaalsContact C-N 3.33Å; I386-K388 PolarHBondContact O-N 3.12Å; K388-L392 WeakPolarHBondContact O-CB 3.41Å; K388-L392 PolarHBondContact O-N 3.18Å
389	G	91.9	Very high	89.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-46.7	-176.7	0	0	0	0	0	112.5	L159 A385 I386 S393	L159-G389 WeakPolarHBondContact CD1-O 3.39Å; A385-G389 PolarHBondContact O-N 3.33Å; I386-G389 PolarHBondContact O-N 3.37Å; G389-S393 WeakPolarHBondContact O-CB 3.5Å; G389-S393 PolarHBondContact O-N 2.81Å
390	T	92.5	Very high	90.6	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	24%	0.237	C	C	.	.	H	α-helix	trans	-69.7	-48.1	-176.7	-61.7	0	0	0	0	112.6	F369 I386 S393 I394	F369-T390 HydrophobicContact CB-CG2 4.41Å; F369-T390 HydrophobicContact CD2-CG2 3.52Å; F369-T390 HydrophobicContact CE2-CG2 4.27Å; F369-T390 HydrophobicContact CG-CG2 4.35Å; I386-T390 VanDerWaalsContact O-CB 3.26Å; I386-T390 WeakPolarHBondContact O-CB 3.36Å; I386-T390 PolarHBondContact O-N 3.18Å; I386-T390 PolarHBondContact O-OG1 3.48Å; T390-S393 WeakPolarHBondContact O-CB 3.49Å; T390-S393 PolarHBondContact O-N 2.93Å; T390-I394 HydrophobicContact CG2-CD1 4.08Å; T390-I394 WeakPolarHBondContact O-CG1 3.27Å; T390-I394 PolarHBondContact O-N 2.7Å
391	L	93.4	Very high	91.2	Very high	32 Å²	32	38 Å²	38	17%	0.168	21%	0.207	C	C	.	.	H	α-helix	trans	-67.7	-40.8	-178.5	-63	172.5	0	0	0	111.7	L199 I203 P387 I394 V395 F563	L199-L391 HydrophobicContact CD1-CD2 3.85Å; I203-L391 HydrophobicContact CG1-CD2 4.24Å; P387-L391 VanDerWaalsContact O-CB 3.28Å; P387-L391 WeakPolarHBondContact O-CB 3.34Å; P387-L391 WeakPolarHBondContact O-CD1 3.15Å; P387-L391 VanDerWaalsContact O-CG 3.24Å; P387-L391 WeakPolarHBondContact O-CG 3.01Å; P387-L391 PolarHBondContact O-N 3.44Å; L391-I394 PolarHBondContact O-N 3.2Å; L391-V395 WeakPolarHBondContact O-CG2 3.13Å; L391-V395 PolarHBondContact O-N 3.35Å; L391-F563 HydrophobicContact CD1-CE1 4.3Å; L391-F563 HydrophobicContact CD1-CE2 4.41Å; L391-F563 HydrophobicContact CD1-CZ 3.59Å
392	L	93.7	Very high	91.6	Very high	72 Å²	72	35.5 Å²	35.5	38%	0.377	19%	0.194	S	C	.	.	H	α-helix	trans	-66.3	-39.3	175.6	-175.6	64.4	0	0	0	111.6	W154 L159 K388 I394 V395 I396	W154-L392 HydrophobicContact CH2-CD2 4.11Å; W154-L392 HydrophobicContact CZ3-CD2 4.05Å; L159-L392 HydrophobicContact CD1-CB 4.07Å; L159-L392 HydrophobicContact CD1-CD2 4.11Å; L159-L392 HydrophobicContact CD1-CG 4.05Å; L159-L392 HydrophobicContact CD2-CD2 4.13Å; K388-L392 WeakPolarHBondContact O-CB 3.41Å; K388-L392 PolarHBondContact O-N 3.18Å; L392-I394 PolarHBondContact O-N 2.88Å; L392-V395 PolarHBondContact O-N 3.26Å; L392-I396 HydrophobicContact CD1-CD1 3.99Å; L392-I396 HydrophobicContact CD1-CG1 4.2Å; L392-I396 HydrophobicContact CD2-CD1 4.3Å; L392-I396 HydrophobicContact CG-CD1 3.73Å; L392-I396 HydrophobicContact CG-CG1 4.32Å; L392-I396 WeakPolarHBondContact O-CB 3.33Å; L392-I396 WeakPolarHBondContact O-CG1 3.42Å; L392-I396 PolarHBondContact O-N 3.2Å
393	S	92.9	Very high	92.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-56.5	-51	174.7	-173.1	0	0	0	0	111.1	S162 S163 G389 T390 V395 I396 T397	S162-S393 VanDerWaalsContact C-OG 3.23Å; S162-S393 WeakPolarHBondContact CB-OG 3.46Å; S163-S393 WeakPolarHBondContact CA-OG 3.42Å; S163-S393 PolarHBondContact N-OG 2.82Å; S163-S393 PolarHBondContact OG-OG 3.17Å; G389-S393 WeakPolarHBondContact O-CB 3.5Å; G389-S393 PolarHBondContact O-N 2.81Å; T390-S393 WeakPolarHBondContact O-CB 3.49Å; T390-S393 PolarHBondContact O-N 2.93Å; S393-V395 PolarHBondContact O-N 2.79Å; S393-I396 PolarHBondContact O-N 2.82Å; S393-T397 WeakPolarHBondContact O-CB 3.29Å; S393-T397 WeakPolarHBondContact O-CG2 3.42Å; S393-T397 PolarHBondContact O-N 2.89Å; S393-T397 PolarHBondContact O-OG1 2.83Å
394	I	93.3	Very high	92.5	Very high	5 Å²	5	32.8 Å²	32.8	3%	0.026	18%	0.183	C	C	.	.	H	α-helix	trans	-56.8	-50.1	-179.6	-67.4	161.9	0	0	0	110.1	F369 T390 L391 L392 I396 T397 S398	F369-I394 HydrophobicContact CB-CD1 4.09Å; F369-I394 HydrophobicContact CB-CG1 3.78Å; F369-I394 HydrophobicContact CD1-CD1 4.23Å; F369-I394 HydrophobicContact CD1-CG1 4.45Å; F369-I394 HydrophobicContact CD2-CD1 4.06Å; F369-I394 HydrophobicContact CG-CD1 3.87Å; F369-I394 HydrophobicContact CG-CG1 4.09Å; T390-I394 HydrophobicContact CG2-CD1 4.08Å; T390-I394 WeakPolarHBondContact O-CG1 3.27Å; T390-I394 PolarHBondContact O-N 2.7Å; L391-I394 PolarHBondContact O-N 3.2Å; L392-I394 PolarHBondContact O-N 2.88Å; I394-I396 PolarHBondContact O-N 3.39Å; I394-T397 PolarHBondContact O-N 3.49Å; I394-T397 PolarHBondContact O-OG1 2.86Å; I394-S398 WeakPolarHBondContact O-CB 3.32Å; I394-S398 PolarHBondContact O-N 3.45Å; I394-S398 PolarHBondContact O-OG 2.71Å
395	V	93.7	Very high	92.8	Very high	79 Å²	79	29.1 Å²	29.1	48%	0.479	16%	0.161	S	C	.	.	H	α-helix	trans	-60.1	-49.3	-179.6	174.1	0	0	0	0	111.7	L391 L392 S393 T397 S398 S399	L391-V395 WeakPolarHBondContact O-CG2 3.13Å; L391-V395 PolarHBondContact O-N 3.35Å; L392-V395 PolarHBondContact O-N 3.26Å; S393-V395 PolarHBondContact O-N 2.79Å; V395-T397 PolarHBondContact O-N 3.12Å; V395-S398 PolarHBondContact O-N 3.26Å; V395-S399 PolarHBondContact O-N 2.92Å; V395-S399 PolarHBondContact O-OG 3.23Å
396	I	93.3	Very high	93	Very high	65 Å²	65	34.9 Å²	34.9	33%	0.333	18%	0.182	S	C	.	.	H	α-helix	trans	-59.8	-47.7	179.6	-70.7	173.5	0	0	0	110.9	L392 S393 I394 S399 I400	L392-I396 HydrophobicContact CD1-CD1 3.99Å; L392-I396 HydrophobicContact CD1-CG1 4.2Å; L392-I396 HydrophobicContact CD2-CD1 4.3Å; L392-I396 HydrophobicContact CG-CD1 3.73Å; L392-I396 HydrophobicContact CG-CG1 4.32Å; L392-I396 WeakPolarHBondContact O-CB 3.33Å; L392-I396 WeakPolarHBondContact O-CG1 3.42Å; L392-I396 PolarHBondContact O-N 3.2Å; S393-I396 PolarHBondContact O-N 2.82Å; I394-I396 PolarHBondContact O-N 3.39Å; I396-S399 PolarHBondContact O-N 2.98Å; I396-I400 HydrophobicContact CG2-CD1 3.88Å; I396-I400 WeakPolarHBondContact O-CG1 3.38Å; I396-I400 PolarHBondContact O-N 3.18Å; I396-I400 VanDerWaalsContact O-N 3.09Å
397	T	92.8	Very high	93.2	Very high	5 Å²	5	36.3 Å²	36.3	3%	0.031	19%	0.189	C	C	.	.	H	α-helix	trans	-65.1	-45.9	-179	51.8	0	0	0	0	111.5	V166 F167 S393 I394 V395 S399 I400 Y401	V166-T397 HydrophobicContact CB-CG2 3.94Å; V166-T397 HydrophobicContact CG1-CG2 3.59Å; F167-T397 HydrophobicContact CD2-CG2 4.24Å; F167-T397 HydrophobicContact CE1-CG2 4.47Å; F167-T397 HydrophobicContact CE2-CG2 3.79Å; F167-T397 HydrophobicContact CZ-CG2 3.91Å; S393-T397 WeakPolarHBondContact O-CB 3.29Å; S393-T397 WeakPolarHBondContact O-CG2 3.42Å; S393-T397 PolarHBondContact O-N 2.89Å; S393-T397 PolarHBondContact O-OG1 2.83Å; I394-T397 PolarHBondContact O-N 3.49Å; I394-T397 PolarHBondContact O-OG1 2.86Å; V395-T397 PolarHBondContact O-N 3.12Å; T397-S399 VanDerWaalsContact C-N 3.32Å; T397-S399 PolarHBondContact O-N 2.88Å; T397-I400 PolarHBondContact O-N 3.26Å; T397-I400 VanDerWaalsContact O-N 3.17Å; T397-Y401 WeakPolarHBondContact O-CD2 3.5Å; T397-Y401 PolarHBondContact O-N 2.64Å
398	S	92.9	Very high	93.2	Very high	15 Å²	15	36 Å²	36	11%	0.105	19%	0.187	C	C	.	.	H	α-helix	trans	-62.2	-38.5	179.8	-61.8	0	0	0	0	112.2	S195 I394 V395 L402	S195-S398 WeakPolarHBondContact CB-OG 3.26Å; S195-S398 WeakPolarHBondContact OG-CB 3.1Å; S195-S398 PolarHBondContact OG-OG 3.13Å; I394-S398 WeakPolarHBondContact O-CB 3.32Å; I394-S398 PolarHBondContact O-N 3.45Å; I394-S398 PolarHBondContact O-OG 2.71Å; V395-S398 PolarHBondContact O-N 3.26Å; S398-L402 WeakPolarHBondContact O-CB 3.47Å; S398-L402 WeakPolarHBondContact O-CG 3.43Å; S398-L402 PolarHBondContact O-N 3.15Å
399	S	94	Very high	93.2	Very high	73 Å²	73	29.6 Å²	29.6	51%	0.51	16%	0.159	S	C	.	.	H	α-helix	trans	-64	-43	174	-68.7	0	0	0	0	112.7	V395 I396 T397 S403	V395-S399 PolarHBondContact O-N 2.92Å; V395-S399 PolarHBondContact O-OG 3.23Å; I396-S399 PolarHBondContact O-N 2.98Å; T397-S399 VanDerWaalsContact C-N 3.32Å; T397-S399 PolarHBondContact O-N 2.88Å; S399-S403 PolarHBondContact O-N 3.23Å; S399-S403 PolarHBondContact O-OG 2.98Å
400	I	93.9	Very high	93.3	Very high	35 Å²	35	29.8 Å²	29.8	18%	0.179	16%	0.16	C	C	.	.	H	α-helix	trans	-65.4	-47.5	178.7	-72.9	166.9	0	0	0	110.5	F167 F171 V314 I396 T397 L402 S403 V404	F167-I400 HydrophobicContact CE1-CB 4.27Å; F167-I400 HydrophobicContact CE1-CG2 3.74Å; F167-I400 HydrophobicContact CZ-CB 4.16Å; F167-I400 HydrophobicContact CZ-CD1 3.77Å; F167-I400 HydrophobicContact CZ-CG2 3.97Å; F171-I400 HydrophobicContact CE2-CG2 4Å; F171-I400 HydrophobicContact CZ-CG2 4.17Å; V314-I400 HydrophobicContact CG1-CG2 4.48Å; I396-I400 HydrophobicContact CG2-CD1 3.88Å; I396-I400 WeakPolarHBondContact O-CG1 3.38Å; I396-I400 PolarHBondContact O-N 3.18Å; I396-I400 VanDerWaalsContact O-N 3.09Å; T397-I400 PolarHBondContact O-N 3.26Å; T397-I400 VanDerWaalsContact O-N 3.17Å; I400-L402 PolarHBondContact O-N 2.73Å; I400-S403 PolarHBondContact O-N 2.63Å; I400-S403 VanDerWaalsContact O-N 3.15Å; I400-S403 PolarHBondContact O-OG 3.31Å; I400-V404 HydrophobicContact CG2-CG2 4.43Å; I400-V404 WeakPolarHBondContact O-CG2 3.25Å; I400-V404 PolarHBondContact O-N 2.95Å
401	Y	93.7	Very high	93.3	Very high	1 Å²	1	29.9 Å²	29.9	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-56.9	-47.6	176.7	-86.6	-114.7	0	0	0	112.3	V166 F167 F171 L175 Y362 A365 T397 S403 V404 M405	V166-Y401 HydrophobicContact CG1-CE2 4.23Å; V166-Y401 PolarHBondContact O-OH 2.87Å; F167-Y401 HydrophobicContact CD1-CD2 4.5Å; F167-Y401 AromaticContact CD1-CE2 3.74Å; F167-Y401 HydrophobicContact CD1-CE2 3.74Å; F167-Y401 HydrophobicContact CE1-CD2 4.13Å; F167-Y401 AromaticContact CE1-CE2 3.81Å; F167-Y401 HydrophobicContact CE1-CE2 3.81Å; F171-Y401 HydrophobicContact CB-CE1 4.32Å; F171-Y401 HydrophobicContact CB-CE2 4.41Å; F171-Y401 WeakPolarHBondContact CB-OH 3.02Å; F171-Y401 HydrophobicContact CD2-CD1 4.26Å; F171-Y401 AromaticContact CD2-CD2 3.81Å; F171-Y401 HydrophobicContact CD2-CD2 3.81Å; F171-Y401 HydrophobicContact CD2-CE1 4.01Å; F171-Y401 AromaticContact CD2-CE2 3.55Å; F171-Y401 HydrophobicContact CD2-CE2 3.55Å; F171-Y401 HydrophobicContact CD2-CG 4.19Å; F171-Y401 AromaticContact CD2-CZ 3.67Å; F171-Y401 HydrophobicContact CE2-CD2 4.15Å; F171-Y401 HydrophobicContact CE2-CE2 4.26Å; F171-Y401 HydrophobicContact CG-CE2 4.32Å; L175-Y401 HydrophobicContact CD1-CD1 3.75Å; L175-Y401 HydrophobicContact CD1-CE1 4.31Å; L175-Y401 HydrophobicContact CD2-CD1 4.09Å; Y362-Y401 AromaticContact CE2-CD1 3.76Å; Y362-Y401 HydrophobicContact CE2-CD1 3.76Å; Y362-Y401 AromaticContact CE2-CE1 3.96Å; Y362-Y401 HydrophobicContact CE2-CE1 3.96Å; Y362-Y401 WeakPolarHBondContact OH-CD1 3.37Å; A365-Y401 HydrophobicContact CB-CE1 3.91Å; T397-Y401 WeakPolarHBondContact O-CD2 3.5Å; T397-Y401 PolarHBondContact O-N 2.64Å; Y401-S403 PolarHBondContact O-N 3.34Å; Y401-V404 PolarHBondContact O-N 3.02Å; Y401-M405 VanDerWaalsContact O-CG 3.25Å; Y401-M405 WeakPolarHBondContact O-CG 3.44Å; Y401-M405 PolarHBondContact O-N 3.32Å; Y401-M405 VanDerWaalsContact O-N 3.13Å
402	L	94.4	Very high	93.2	Very high	46 Å²	46	28.4 Å²	28.4	24%	0.241	15%	0.153	C	C	.	.	H	α-helix	trans	-59.9	-44.3	175.8	-74	172.2	0	0	0	111.9	V191 I192 S398 I400 V404 M405 W406	V191-L402 HydrophobicContact CB-CD2 3.85Å; V191-L402 HydrophobicContact CB-CG 4.39Å; V191-L402 HydrophobicContact CG1-CD2 3.88Å; V191-L402 HydrophobicContact CG1-CG 3.84Å; V191-L402 HydrophobicContact CG2-CD2 4.34Å; I192-L402 HydrophobicContact CG1-CD1 4.38Å; S398-L402 WeakPolarHBondContact O-CB 3.47Å; S398-L402 WeakPolarHBondContact O-CG 3.43Å; S398-L402 PolarHBondContact O-N 3.15Å; I400-L402 PolarHBondContact O-N 2.73Å; L402-V404 PolarHBondContact O-N 2.96Å; L402-M405 PolarHBondContact O-N 3.49Å; L402-W406 VanDerWaalsContact O-CD1 3.22Å; L402-W406 PolarHBondContact O-N 2.78Å; L402-W406 VanDerWaalsContact O-N 3.1Å
403	S	94.3	Very high	93.1	Very high	36 Å²	36	26.5 Å²	26.5	25%	0.252	14%	0.143	S	C	.	.	H	α-helix	trans	-62	-44.4	179.8	68.8	0	0	0	0	112.7	Y318 S399 I400 Y401 M405 W406 M407	Y318-S403 PolarHBondContact OH-OG 3.31Å; S399-S403 PolarHBondContact O-N 3.23Å; S399-S403 PolarHBondContact O-OG 2.98Å; I400-S403 PolarHBondContact O-N 2.63Å; I400-S403 VanDerWaalsContact O-N 3.15Å; I400-S403 PolarHBondContact O-OG 3.31Å; Y401-S403 PolarHBondContact O-N 3.34Å; S403-M405 VanDerWaalsContact C-N 3.34Å; S403-M405 PolarHBondContact O-N 2.89Å; S403-W406 PolarHBondContact O-N 2.99Å; S403-M407 WeakPolarHBondContact O-CB 3.43Å; S403-M407 WeakPolarHBondContact O-CG 3.42Å; S403-M407 PolarHBondContact O-N 2.99Å
404	V	93.2	Very high	93	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-63	-40.8	179.4	171.8	0	0	0	0	111	F171 L175 Y317 Y318 I400 Y401 L402 M407 T408 L448	F171-V404 HydrophobicContact CE2-CB 4.48Å; F171-V404 HydrophobicContact CE2-CG2 3.99Å; F171-V404 HydrophobicContact CZ-CG2 3.9Å; L175-V404 HydrophobicContact CD2-CB 4.09Å; L175-V404 HydrophobicContact CD2-CG1 3.73Å; Y317-V404 HydrophobicContact CD1-CG2 4.18Å; Y317-V404 HydrophobicContact CE1-CB 4.27Å; Y317-V404 HydrophobicContact CE1-CG1 4.01Å; Y317-V404 HydrophobicContact CE1-CG2 3.81Å; Y318-V404 HydrophobicContact CE1-CG2 4.37Å; I400-V404 HydrophobicContact CG2-CG2 4.43Å; I400-V404 WeakPolarHBondContact O-CG2 3.25Å; I400-V404 PolarHBondContact O-N 2.95Å; Y401-V404 PolarHBondContact O-N 3.02Å; L402-V404 PolarHBondContact O-N 2.96Å; V404-M407 PolarHBondContact O-N 3.21Å; V404-T408 WeakPolarHBondContact O-CB 3.28Å; V404-T408 PolarHBondContact O-N 2.98Å; V404-T408 PolarHBondContact O-OG1 2.88Å; V404-L448 HydrophobicContact CG1-CD2 4.06Å
405	M	92.4	Very high	93	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-66.7	-37.6	177.8	-67.5	167.4	69.9	0	0	113.3	L175 Q179 A187 V191 Y401 L402 S403 G409	L175-M405 HydrophobicContact CD1-CG 3.62Å; L175-M405 HydrophobicContact CD1-SD 3.53Å; L175-M405 VanDerWaalsContact CD1-SD 3.53Å; L175-M405 HydrophobicContact CD2-CG 4.12Å; L175-M405 HydrophobicContact CG-CG 3.71Å; L175-M405 HydrophobicContact CG-SD 4.31Å; Q179-M405 HydrophobicContact CB-CE 4.37Å; Q179-M405 HydrophobicContact CG-CB 4.39Å; A187-M405 VanDerWaalsContact C-CE 3.43Å; A187-M405 HydrophobicContact CB-CE 3.17Å; A187-M405 WeakPolarHBondContact O-CE 3.47Å; V191-M405 HydrophobicContact CG2-CE 3.95Å; V191-M405 HydrophobicContact CG2-SD 3.41Å; V191-M405 WeakPolarHBondContact CG2-SD 3.38Å; Y401-M405 VanDerWaalsContact O-CG 3.25Å; Y401-M405 WeakPolarHBondContact O-CG 3.44Å; Y401-M405 PolarHBondContact O-N 3.32Å; Y401-M405 VanDerWaalsContact O-N 3.13Å; L402-M405 PolarHBondContact O-N 3.49Å; S403-M405 VanDerWaalsContact C-N 3.34Å; S403-M405 PolarHBondContact O-N 2.89Å; M405-G409 PolarHBondContact O-N 3.09Å; M405-G409 VanDerWaalsContact O-N 3.08Å
406	W	93.6	Very high	92.8	Very high	125 Å²	125	24.5 Å²	24.5	47%	0.473	13%	0.128	S	C	.	.	H	α-helix	trans	-72.1	-36.9	175.4	-82.8	66.8	0	0	0	112.1	I184 S188 L402 S403 A410	I184-W406 HydrophobicContact CG2-CD2 3.87Å; I184-W406 HydrophobicContact CG2-CE3 4.42Å; I184-W406 HydrophobicContact CG2-CG 4.07Å; I184-W406 HydrophobicContact CG2-CZ2 4.22Å; S188-W406 PolarHBondContact OG-NE1 2.88Å; L402-W406 VanDerWaalsContact O-CD1 3.22Å; L402-W406 PolarHBondContact O-N 2.78Å; L402-W406 VanDerWaalsContact O-N 3.1Å; S403-W406 PolarHBondContact O-N 2.99Å; W406-A410 WeakPolarHBondContact O-CB 3.41Å; W406-A410 PolarHBondContact O-N 3.48Å
407	M	92.8	Very high	92.6	Very high	31 Å²	31	22.8 Å²	22.8	15%	0.153	12%	0.121	C	C	.	.	H	α-helix	trans	-72.1	-52.3	179	-68.8	170	79.8	0	0	111.3	Y318 T321 F322 Y337 S403 V404 G409 A410 S411	Y318-M407 HydrophobicContact CD1-CE 3.73Å; Y318-M407 HydrophobicContact CD1-SD 3.75Å; Y318-M407 HydrophobicContact CE1-CE 4.29Å; Y318-M407 HydrophobicContact CE1-SD 3.66Å; T321-M407 WeakPolarHBondContact OG1-CE 3.38Å; F322-M407 HydrophobicContact CE2-CE 4.17Å; F322-M407 HydrophobicContact CZ-CE 4.2Å; Y337-M407 HydrophobicContact CE1-CB 4.35Å; Y337-M407 WeakPolarHBondContact OH-CE 3.32Å; S403-M407 WeakPolarHBondContact O-CB 3.43Å; S403-M407 WeakPolarHBondContact O-CG 3.42Å; S403-M407 PolarHBondContact O-N 2.99Å; V404-M407 PolarHBondContact O-N 3.21Å; M407-G409 VanDerWaalsContact C-N 3.32Å; M407-G409 PolarHBondContact O-N 3.25Å; M407-A410 PolarHBondContact O-N 2.98Å; M407-A410 VanDerWaalsContact O-N 3.09Å; M407-S411 PolarHBondContact O-N 3.46Å; M407-S411 VanDerWaalsContact O-N 3.17Å; M407-S411 PolarHBondContact O-OG 3.14Å
408	T	92.3	Very high	92.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-59.5	-43.9	176.7	-41.4	0	0	0	0	111	T176 Y317 V404 A410 S411 S412 T441 E451	T176-T408 HydrophobicContact CG2-CG2 3.37Å; Y317-T408 PolarHBondContact OH-N 3.33Å; Y317-T408 PolarHBondContact OH-OG1 2.72Å; V404-T408 WeakPolarHBondContact O-CB 3.28Å; V404-T408 PolarHBondContact O-N 2.98Å; V404-T408 PolarHBondContact O-OG1 2.88Å; T408-A410 PolarHBondContact O-N 3.25Å; T408-A410 VanDerWaalsContact O-N 3.14Å; T408-S411 PolarHBondContact O-N 3.06Å; T408-S411 PolarHBondContact O-OG 2.64Å; T408-S412 VanDerWaalsContact CG2-OG 3.26Å; T408-S412 WeakPolarHBondContact CG2-OG 3.29Å; T408-S412 PolarHBondContact O-N 2.95Å; T408-S412 PolarHBondContact O-OG 2.9Å; T408-T441 HydrophobicContact CG2-CG2 4.36Å; T408-E451 WeakPolarHBondContact CG2-OE1 3.3Å; T408-E451 WeakPolarHBondContact CG2-OE2 3.27Å; T408-E451 PolarHBondContact OG1-OE2 3.03Å
409	G	92.8	Very high	92.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-65.3	-16.8	179.1	0	0	0	0	0	114.4	Q179 N345 M405 M407	Q179-G409 VanDerWaalsContact OE1-N 3.17Å; N345-G409 WeakPolarHBondContact CB-O 3.27Å; N345-G409 PolarHBondContact ND2-O 3.02Å; M405-G409 PolarHBondContact O-N 3.09Å; M405-G409 VanDerWaalsContact O-N 3.08Å; M407-G409 VanDerWaalsContact C-N 3.32Å; M407-G409 PolarHBondContact O-N 3.25Å
410	A	92.9	Very high	91.8	Very high	3 Å²	3	24.7 Å²	24.7	3%	0.025	13%	0.133	C	C	.	.	H	α-helix	trans	-98	-12.3	174.6	0	0	0	0	0	113.9	Y337 D338 M342 W406 M407 T408	Y337-A410 WeakPolarHBondContact CA-O 3.5Å; Y337-A410 HydrophobicContact CD1-CB 3.87Å; Y337-A410 HydrophobicContact CE1-CB 4.27Å; D338-A410 PolarHBondContact N-O 3.45Å; M342-A410 HydrophobicContact CB-CB 4.21Å; M342-A410 HydrophobicContact CE-CB 3.52Å; M342-A410 HydrophobicContact CG-CB 4.32Å; W406-A410 WeakPolarHBondContact O-CB 3.41Å; W406-A410 PolarHBondContact O-N 3.48Å; M407-A410 PolarHBondContact O-N 2.98Å; M407-A410 VanDerWaalsContact O-N 3.09Å; T408-A410 PolarHBondContact O-N 3.25Å; T408-A410 VanDerWaalsContact O-N 3.14Å
411	S	92.3	Very high	91.4	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.021	16%	0.158	C	C	.	.	H	α-helix	trans	-119.9	-14.6	-172.9	49.9	0	0	0	0	115.2	V335 G336 M407 T408 E451	V335-S411 WeakPolarHBondContact CG2-O 3.45Å; V335-S411 PolarHBondContact N-O 3.21Å; G336-S411 PolarHBondContact N-O 3.07Å; G336-S411 VanDerWaalsContact N-O 3.11Å; G336-S411 WeakPolarHBondContact O-CA 3.35Å; M407-S411 PolarHBondContact O-N 3.46Å; M407-S411 VanDerWaalsContact O-N 3.17Å; M407-S411 PolarHBondContact O-OG 3.14Å; T408-S411 PolarHBondContact O-N 3.06Å; T408-S411 PolarHBondContact O-OG 2.64Å; S411-E451 PolarHBondContact OG-OE1 3.25Å; S411-E451 VanDerWaalsContact OG-OE1 3.07Å
412	S	91.7	Very high	91.1	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-121.1	143.2	-178.3	65.9	0	0	0	0	113.6	G333 T341 N345 T408 T441 E451	G333-S412 CarbonylContact O-C 3.59Å; G333-S412 WeakPolarHBondContact O-CA 3.43Å; T341-S412 VanDerWaalsContact CG2-O 3.31Å; T341-S412 WeakPolarHBondContact CG2-O 3.49Å; N345-S412 PolarHBondContact ND2-O 3.42Å; T408-S412 VanDerWaalsContact CG2-OG 3.26Å; T408-S412 WeakPolarHBondContact CG2-OG 3.29Å; T408-S412 PolarHBondContact O-N 2.95Å; T408-S412 PolarHBondContact O-OG 2.9Å; S412-T441 WeakPolarHBondContact OG-CG2 3.48Å; S412-E451 WeakPolarHBondContact CB-OE1 3.13Å
413	L	92.5	Very high	90.6	Very high	32 Å²	32	33 Å²	33	17%	0.168	17%	0.172	C	C	.	.			trans	-82.9	149.8	173.1	-66.2	171.6	0	0	0	111.4	G333 V335 T341 D415 L428 T429 G440 T441	G333-L413 PolarHBondContact O-N 3.32Å; V335-L413 HydrophobicContact CG1-CD1 3.74Å; V335-L413 HydrophobicContact CG1-CG 4.05Å; V335-L413 HydrophobicContact CG2-CG 4.3Å; T341-L413 HydrophobicContact CG2-CD2 4.1Å; L413-D415 VanDerWaalsContact C-N 3.27Å; L413-D415 PolarHBondContact O-N 3.26Å; L413-L428 HydrophobicContact CD1-CD2 4.03Å; L413-T429 HydrophobicContact CD1-CG2 4.36Å; L413-G440 WeakPolarHBondContact O-CA 2.93Å; L413-T441 PolarHBondContact O-N 3.34Å; L413-T441 PolarHBondContact O-OG1 3.25Å
414	R	91	Very high	90.2	Very high	33 Å²	33	39 Å²	39	13%	0.125	20%	0.197	C	C	.	.	S	Bend	trans	-57.2	-39.1	173.6	-94.4	-174.3	169.2	126	4.1	113.8	A180 N344 L347 D349 G440 T441 H442	A180-R414 VanDerWaalsContact O-CZ 3.31Å; A180-R414 PolarHBondContact O-NE 2.93Å; A180-R414 PolarHBondContact O-NH2 3.01Å; N344-R414 PolarHBondContact O-NH1 2.9Å; L347-R414 PolarHBondContact O-NH1 3.28Å; L347-R414 PolarHBondContact O-NH2 2.98Å; D349-R414 VanDerWaalsContact CB-CZ 3.49Å; R414-G440 CarbonylContact O-C 3.59Å; R414-T441 WeakPolarHBondContact CA-OG1 3.46Å; R414-T441 PolarHBondContact O-N 2.93Å; R414-T441 VanDerWaalsContact O-N 3.13Å; R414-H442 WeakPolarHBondContact CD-NE2 3.42Å; R414-H442 PolarHBondContact NE-NE2 3.42Å; R414-H442 PolarHBondContact O-N 2.9Å
415	D	91.8	Very high	89.8	Confident	10 Å²	10	42.5 Å²	42.5	5%	0.053	23%	0.225	C	C	.	.			trans	-142.2	138.8	-171.3	-71.8	-72.2	0	0	0	110.2	R351 L413 A432 C437 N443	R351-D415 IonicContact CZ-OD1 3.84Å; R351-D415 IonicContact CZ-OD2 2.71Å; R351-D415 VanDerWaalsContact CZ-OD2 3.32Å; R351-D415 VanDerWaalsContact NH1-CG 3.35Å; R351-D415 IonicContact NH1-OD1 2.71Å; R351-D415 PolarHBondContact NH1-OD1 2.88Å; R351-D415 IonicContact NH1-OD2 3.75Å; R351-D415 PolarHBondContact NH1-OD2 3.43Å; R351-D415 VanDerWaalsContact NH1-OD2 3.14Å; R351-D415 IonicContact NH2-OD1 2.66Å; R351-D415 IonicContact NH2-OD2 2.75Å; R351-D415 PolarHBondContact NH2-OD2 3.36Å; L413-D415 VanDerWaalsContact C-N 3.27Å; L413-D415 PolarHBondContact O-N 3.26Å; D415-A432 HydrophobicContact CB-CB 3.87Å; D415-C437 HydrophobicContact CB-CB 4.26Å; D415-N443 PolarHBondContact OD1-ND2 3.42Å
416	A	90.8	Very high	89.3	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-150.5	145.8	171.5	0	0	0	0	0	110.8	L428 Y439	A416-L428 HydrophobicContact CB-CD1 4.26Å; A416-L428 HydrophobicContact CB-CD2 4.39Å; A416-L428 HydrophobicContact CB-CG 4.15Å; A416-Y439 PolarHBondContact N-O 3.38Å; A416-Y439 CarbonylContact O-C 3.44Å; A416-Y439 WeakPolarHBondContact O-CA 3.37Å; A416-Y439 PolarHBondContact O-N 3.04Å
417	S	88.9	Confident	89	Confident	28 Å²	28	41.5 Å²	41.5	20%	0.196	25%	0.245	C	C	.	.			trans	-73.5	-30.1	179.6	70.8	0	0	0	0	113.6	S419 D422 L428	S417-S419 PolarHBondContact OG-N 3.08Å; S417-D422 WeakPolarHBondContact CB-OD2 3.5Å; S417-D422 WeakPolarHBondContact OG-CB 3.47Å; S417-D422 PolarHBondContact OG-OD2 3.09Å; S417-L428 PolarHBondContact N-O 3.23Å
418	G	86.8	Confident	88.6	Confident	24 Å²	24	40.7 Å²	40.7	25%	0.247	24%	0.242	C	C	.	.			trans	91.1	-10	-170.2	0	0	0	0	0	114.2	A331 Y439	A331-G418 WeakPolarHBondContact O-CA 3.42Å; A331-G418 PolarHBondContact O-N 3.49Å; G418-Y439 VanDerWaalsContact CA-CD2 3.48Å
419	S	87.1	Confident	88.1	Confident	38 Å²	38	44.1 Å²	44.1	27%	0.266	26%	0.263	S	S	.	.			trans	-85.4	133.2	-178.3	-173.6	0	0	0	0	112.1	S417 E421 D422 L423	S417-S419 PolarHBondContact OG-N 3.08Å; S419-E421 PolarHBondContact O-N 3.04Å; S419-E421 PolarHBondContact OG-N 2.61Å; S419-D422 VanDerWaalsContact CB-OD2 3.31Å; S419-D422 WeakPolarHBondContact CB-OD2 3.32Å; S419-L423 PolarHBondContact O-N 3.28Å
420	I	87.8	Confident	87.7	Confident	72 Å²	72	48.7 Å²	48.7	37%	0.369	28%	0.284	S	S	.	.	H	α-helix	trans	-68.8	-27.6	172.1	-57.9	172.7	0	0	0	110.4	I327 E328 A331 L423 Q424	I327-I420 HydrophobicContact CG2-CG2 3.83Å; E328-I420 HydrophobicContact CG-CD1 4.39Å; A331-I420 HydrophobicContact CB-CG1 4.11Å; I420-L423 PolarHBondContact O-N 3.09Å; I420-Q424 WeakPolarHBondContact O-CG 3.45Å; I420-Q424 PolarHBondContact O-N 2.89Å; I420-Q424 VanDerWaalsContact O-N 3.12Å
421	E	86.5	Confident	87.3	Confident	152 Å²	152	49.4 Å²	49.4	71%	0.71	29%	0.289	S	S	*	.	H	α-helix	trans	-69.4	-44.1	177.9	-58.9	179.6	171.1	0	0	111	S419 L423 Q424 A425	S419-E421 PolarHBondContact O-N 3.04Å; S419-E421 PolarHBondContact OG-N 2.61Å; E421-L423 VanDerWaalsContact C-N 3.28Å; E421-L423 PolarHBondContact O-N 2.79Å; E421-Q424 PolarHBondContact O-N 2.86Å; E421-Q424 VanDerWaalsContact O-N 3.13Å; E421-A425 WeakPolarHBondContact O-CB 3.43Å; E421-A425 PolarHBondContact O-N 2.89Å
422	D	86.3	Confident	86.9	Confident	53 Å²	53	50.4 Å²	50.4	28%	0.283	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-33.1	175.5	-67	-36.4	0	0	0	112.3	S417 S419 A425 G426 T427 L428	S417-D422 WeakPolarHBondContact CB-OD2 3.5Å; S417-D422 WeakPolarHBondContact OG-CB 3.47Å; S417-D422 PolarHBondContact OG-OD2 3.09Å; S419-D422 VanDerWaalsContact CB-OD2 3.31Å; S419-D422 WeakPolarHBondContact CB-OD2 3.32Å; D422-A425 PolarHBondContact O-N 2.92Å; D422-G426 PolarHBondContact O-N 3.03Å; D422-T427 WeakPolarHBondContact CA-OG1 3.38Å; D422-T427 PolarHBondContact O-N 3.34Å; D422-T427 PolarHBondContact OD1-OG1 2.85Å; D422-L428 HydrophobicContact CB-CD1 4.47Å; D422-L428 PolarHBondContact O-N 3.28Å
423	L	85.4	Confident	86.4	Confident	51 Å²	51	57.4 Å²	57.4	27%	0.267	33%	0.327	S	S	.	.	H	α-helix	trans	-64.4	-40.4	173.1	-179.9	69.3	0	0	0	111.4	I327 R330 A331 S419 I420 E421 L428	I327-L423 HydrophobicContact CG2-CD2 4.06Å; R330-L423 HydrophobicContact CB-CD1 4.07Å; R330-L423 HydrophobicContact CB-CD2 3.7Å; A331-L423 HydrophobicContact CB-CD2 4.33Å; S419-L423 PolarHBondContact O-N 3.28Å; I420-L423 PolarHBondContact O-N 3.09Å; E421-L423 VanDerWaalsContact C-N 3.28Å; E421-L423 PolarHBondContact O-N 2.79Å; L423-L428 HydrophobicContact CB-CD1 4.49Å; L423-L428 HydrophobicContact CD1-CD2 4.09Å
424	Q	85.7	Confident	86	Confident	163 Å²	163	61.8 Å²	61.8	76%	0.762	35%	0.351	S	S	*	.	H	α-helix	trans	-73.9	-32.2	176.5	-70.3	-179.9	5.9	0	0	112.7	I420 E421	I420-Q424 WeakPolarHBondContact O-CG 3.45Å; I420-Q424 PolarHBondContact O-N 2.89Å; I420-Q424 VanDerWaalsContact O-N 3.12Å; E421-Q424 PolarHBondContact O-N 2.86Å; E421-Q424 VanDerWaalsContact O-N 3.13Å
425	A	85	Confident	85.5	Confident	72 Å²	72	67.5 Å²	67.5	60%	0.595	38%	0.377	S	S	*	.	H	α-helix	trans	-79	-15.5	176.2	0	0	0	0	0	113.8	E421 D422 T427	E421-A425 WeakPolarHBondContact O-CB 3.43Å; E421-A425 PolarHBondContact O-N 2.89Å; D422-A425 PolarHBondContact O-N 2.92Å; A425-T427 VanDerWaalsContact C-N 3.29Å; A425-T427 HydrophobicContact CB-CG2 4.33Å
426	G	82.2	Confident	85.2	Confident	63 Å²	63	70.9 Å²	70.9	65%	0.649	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	11.1	-174.9	0	0	0	0	0	114.2	D422	D422-G426 PolarHBondContact O-N 3.03Å
427	T	86.6	Confident	85	Confident	42 Å²	42	71.1 Å²	71.1	26%	0.258	40%	0.4	S	S	.	.			trans	-94.9	8.4	-176.5	49	0	0	0	0	113.7	D422 A425 T429 E430	D422-T427 WeakPolarHBondContact CA-OG1 3.38Å; D422-T427 PolarHBondContact O-N 3.34Å; D422-T427 PolarHBondContact OD1-OG1 2.85Å; A425-T427 VanDerWaalsContact C-N 3.29Å; A425-T427 HydrophobicContact CB-CG2 4.33Å; T427-T429 PolarHBondContact O-N 2.88Å; T427-E430 HydrophobicContact CG2-CG 4.42Å; T427-E430 WeakPolarHBondContact O-CB 3.34Å; T427-E430 PolarHBondContact O-N 2.89Å
428	L	84.2	Confident	84.8	Confident	14 Å²	14	75.8 Å²	75.8	7%	0.073	42%	0.42	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-34.2	-171.5	-170.4	68	0	0	0	115.8	A331 L413 A416 S417 D422 L423	A331-L428 WeakPolarHBondContact O-CD1 3.39Å; L413-L428 HydrophobicContact CD1-CD2 4.03Å; A416-L428 HydrophobicContact CB-CD1 4.26Å; A416-L428 HydrophobicContact CB-CD2 4.39Å; A416-L428 HydrophobicContact CB-CG 4.15Å; S417-L428 PolarHBondContact N-O 3.23Å; D422-L428 HydrophobicContact CB-CD1 4.47Å; D422-L428 PolarHBondContact O-N 3.28Å; L423-L428 HydrophobicContact CB-CD1 4.49Å; L423-L428 HydrophobicContact CD1-CD2 4.09Å
429	T	82.4	Confident	84.9	Confident	73 Å²	73	78.2 Å²	78.2	45%	0.448	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	-3.9	-177.4	55.8	0	0	0	0	113.9	L413 T427 C431 A432	L413-T429 HydrophobicContact CD1-CG2 4.36Å; T427-T429 PolarHBondContact O-N 2.88Å; T429-C431 VanDerWaalsContact C-N 3.25Å; T429-C431 PolarHBondContact O-N 2.8Å; T429-A432 WeakPolarHBondContact O-CB 3.17Å; T429-A432 PolarHBondContact O-N 3.04Å
430	E	83.3	Confident	85	Confident	96 Å²	96	76.6 Å²	76.6	45%	0.449	41%	0.411	S	S	.	.	G	3₁₀ helix	trans	-66.7	-26.9	-175.7	-66.3	-141.1	107.2	0	0	113.3	T427 A432 K433	T427-E430 HydrophobicContact CG2-CG 4.42Å; T427-E430 WeakPolarHBondContact O-CB 3.34Å; T427-E430 PolarHBondContact O-N 2.89Å; E430-A432 PolarHBondContact O-N 3.5Å; E430-A432 VanDerWaalsContact O-N 3.08Å; E430-K433 WeakPolarHBondContact O-CB 3.03Å; E430-K433 PolarHBondContact O-N 3.38Å; E430-K433 VanDerWaalsContact O-N 3.13Å; E430-K433 IonicContact OE1-NZ 3.02Å; E430-K433 PolarHBondContact OE1-NZ 3.42Å
431	C	85.2	Confident	85.2	Confident	18 Å²	18	73.1 Å²	73.1	12%	0.122	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-58.4	-19.9	173.2	58.3	0	0	0	0	113.2	T429 K433 N434 F435 T436 C437	T429-C431 VanDerWaalsContact C-N 3.25Å; T429-C431 PolarHBondContact O-N 2.8Å; C431-K433 VanDerWaalsContact C-N 3.29Å; C431-K433 PolarHBondContact O-N 3.15Å; C431-N434 PolarHBondContact O-N 2.82Å; C431-F435 PolarHBondContact O-N 3.08Å; C431-F435 VanDerWaalsContact O-N 3.15Å; C431-T436 PolarHBondContact O-N 2.77Å; C431-T436 PolarHBondContact O-OG1 2.87Å; C431-C437 VanDerWaalsContact CA-SG 3.57Å; C431-C437 HydrophobicContact CB-CB 4.05Å; C431-C437 WeakPolarHBondContact CB-SG 3.21Å; C431-C437 WeakPolarHBondContact SG-CA 2.99Å; C431-C437 WeakPolarHBondContact SG-CB 3.37Å; C431-C437 CovalentContact SG-SG 2.03Å; C431-C437 PolarHBondContact SG-SG 2.88Å
432	A	82.9	Confident	85.3	Confident	24 Å²	24	66.3 Å²	66.3	20%	0.198	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-67.1	-32.1	179	0	0	0	0	0	111.6	D415 T429 E430 N434 F435 C437	D415-A432 HydrophobicContact CB-CB 3.87Å; T429-A432 WeakPolarHBondContact O-CB 3.17Å; T429-A432 PolarHBondContact O-N 3.04Å; E430-A432 PolarHBondContact O-N 3.5Å; E430-A432 VanDerWaalsContact O-N 3.08Å; A432-N434 PolarHBondContact O-N 2.87Å; A432-F435 PolarHBondContact O-N 3.48Å; A432-C437 PolarHBondContact N-SG 3.49Å
433	K	82.7	Confident	85.3	Confident	147 Å²	147	66.6 Å²	66.6	64%	0.639	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-61.6	-30.7	178.2	-63.4	172.1	-177.1	167.7	0	112.6	E430 C431	E430-K433 WeakPolarHBondContact O-CB 3.03Å; E430-K433 PolarHBondContact O-N 3.38Å; E430-K433 VanDerWaalsContact O-N 3.13Å; E430-K433 IonicContact OE1-NZ 3.02Å; E430-K433 PolarHBondContact OE1-NZ 3.42Å; C431-K433 VanDerWaalsContact C-N 3.29Å; C431-K433 PolarHBondContact O-N 3.15Å
434	N	83.4	Confident	85.4	Confident	124 Å²	124	65.3 Å²	65.3	66%	0.663	36%	0.357	S	S	*	.	G	3₁₀ helix	trans	-105.3	1	-179	-66.5	-12.5	0	0	0	112.9	C431 A432 T436	C431-N434 PolarHBondContact O-N 2.82Å; A432-N434 PolarHBondContact O-N 2.87Å; N434-T436 HydrophobicContact CB-CG2 3.95Å; N434-T436 PolarHBondContact O-N 2.77Å
435	F	80.4	Confident	85.4	Confident	153 Å²	153	60.8 Å²	60.8	67%	0.671	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	35.4	-170.7	-56.6	-82.2	0	0	0	114	C431 A432	C431-F435 PolarHBondContact O-N 3.08Å; C431-F435 VanDerWaalsContact O-N 3.15Å; A432-F435 PolarHBondContact O-N 3.48Å
436	T	86.4	Confident	85.5	Confident	82 Å²	82	58.8 Å²	58.8	50%	0.503	31%	0.311	S	S	.	.			trans	-106.8	10.2	-178.8	59.7	0	0	0	0	113.9	C431 N434 M438	C431-T436 PolarHBondContact O-N 2.77Å; C431-T436 PolarHBondContact O-OG1 2.87Å; N434-T436 HydrophobicContact CB-CG2 3.95Å; N434-T436 PolarHBondContact O-N 2.77Å; T436-M438 WeakPolarHBondContact O-CE 3.41Å
437	C	86.2	Confident	85.8	Confident	4 Å²	4	56 Å²	56	3%	0.027	28%	0.282	C	S	.	.			trans	-71.8	133.2	176.6	-60.6	0	0	0	0	111.4	D415 C431 A432 N443	D415-C437 HydrophobicContact CB-CB 4.26Å; C431-C437 VanDerWaalsContact CA-SG 3.57Å; C431-C437 HydrophobicContact CB-CB 4.05Å; C431-C437 WeakPolarHBondContact CB-SG 3.21Å; C431-C437 WeakPolarHBondContact SG-CA 2.99Å; C431-C437 WeakPolarHBondContact SG-CB 3.37Å; C431-C437 CovalentContact SG-SG 2.03Å; C431-C437 PolarHBondContact SG-SG 2.88Å; A432-C437 PolarHBondContact N-SG 3.49Å; C437-N443 WeakPolarHBondContact CB-ND2 3.44Å; C437-N443 WeakPolarHBondContact O-CB 3.43Å
438	M	85	Confident	86	Confident	127 Å²	127	54 Å²	54	63%	0.626	27%	0.27	S	S	*	.	S	Bend	trans	-91.7	-20.9	177.2	-60.8	-67.6	99.9	0	0	112.6	T436	T436-M438 WeakPolarHBondContact O-CE 3.41Å
439	Y	89.1	Confident	86.3	Confident	75 Å²	75	55.2 Å²	55.2	29%	0.294	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-125.5	-175.2	-176.3	-62.2	-86	0	0	0	111.7	K332 A416 G418 N443 N444	K332-Y439 HydrophobicContact CB-CD1 3.99Å; K332-Y439 HydrophobicContact CB-CG 4.11Å; K332-Y439 HydrophobicContact CD-CD1 4.06Å; K332-Y439 HydrophobicContact CD-CE1 3.81Å; K332-Y439 HydrophobicContact CG-CD1 3.76Å; K332-Y439 HydrophobicContact CG-CD2 4.28Å; K332-Y439 HydrophobicContact CG-CE1 3.9Å; K332-Y439 HydrophobicContact CG-CE2 4.4Å; K332-Y439 HydrophobicContact CG-CG 3.95Å; K332-Y439 WeakPolarHBondContact O-CB 3.36Å; A416-Y439 PolarHBondContact N-O 3.38Å; A416-Y439 CarbonylContact O-C 3.44Å; A416-Y439 WeakPolarHBondContact O-CA 3.37Å; A416-Y439 PolarHBondContact O-N 3.04Å; G418-Y439 VanDerWaalsContact CA-CD2 3.48Å; Y439-N443 PolarHBondContact O-ND2 3.17Å; Y439-N444 HydrophobicContact CD1-CB 4.32Å
440	G	89.2	Confident	86.6	Confident	3 Å²	3	54.1 Å²	54.1	3%	0.031	27%	0.266	C	S	.	.	S	Bend	trans	86.5	166.4	-165.3	0	0	0	0	0	113.2	K332 L413 R414 H442 N443 N444	K332-G440 PolarHBondContact O-N 3.24Å; L413-G440 WeakPolarHBondContact O-CA 2.93Å; R414-G440 CarbonylContact O-C 3.59Å; G440-H442 VanDerWaalsContact C-N 3.28Å; G440-H442 PolarHBondContact O-N 3.21Å; G440-N443 PolarHBondContact O-N 3.16Å; G440-N444 PolarHBondContact O-N 2.88Å
441	T	90.6	Very high	86.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-20.4	-172.6	51.5	0	0	0	0	115.3	W177 A180 T408 S412 L413 R414 T447	W177-T441 WeakPolarHBondContact CA-O 3.48Å; A180-T441 WeakPolarHBondContact CB-OG1 3.45Å; T408-T441 HydrophobicContact CG2-CG2 4.36Å; S412-T441 WeakPolarHBondContact OG-CG2 3.48Å; L413-T441 PolarHBondContact O-N 3.34Å; L413-T441 PolarHBondContact O-OG1 3.25Å; R414-T441 WeakPolarHBondContact CA-OG1 3.46Å; R414-T441 PolarHBondContact O-N 2.93Å; R414-T441 VanDerWaalsContact O-N 3.13Å; T441-T447 HydrophobicContact CG2-CG2 3.9Å
442	H	88.7	Confident	87.2	Confident	9 Å²	9	49.6 Å²	49.6	4%	0.042	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-34.5	172.7	-83.8	-79.1	0	0	0	113.6	W177 A180 D349 R414 G440	W177-H442 VanDerWaalsContact CD1-O 3.29Å; A180-H442 PolarHBondContact O-NE2 2.55Å; D349-H442 PolarHBondContact O-CE1 2.98Å; D349-H442 IonicContact OD2-NE2 3.69Å; R414-H442 WeakPolarHBondContact CD-NE2 3.42Å; R414-H442 PolarHBondContact NE-NE2 3.42Å; R414-H442 PolarHBondContact O-N 2.9Å; G440-H442 VanDerWaalsContact C-N 3.28Å; G440-H442 PolarHBondContact O-N 3.21Å
443	N	87.4	Confident	87.6	Confident	59 Å²	59	50.7 Å²	50.7	32%	0.316	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-29.5	-163.2	-47.7	-57.9	0	0	0	112.5	D415 C437 Y439 G440	D415-N443 PolarHBondContact OD1-ND2 3.42Å; C437-N443 WeakPolarHBondContact CB-ND2 3.44Å; C437-N443 WeakPolarHBondContact O-CB 3.43Å; Y439-N443 PolarHBondContact O-ND2 3.17Å; G440-N443 PolarHBondContact O-N 3.16Å
444	N	86.9	Confident	88	Confident	23 Å²	23	51.3 Å²	51.3	12%	0.123	25%	0.254	C	S	.	.			trans	-112.8	109.9	178.9	-179	13.8	0	0	0	112.6	Y439 G440 Q446 T447	Y439-N444 HydrophobicContact CD1-CB 4.32Å; G440-N444 PolarHBondContact O-N 2.88Å; N444-Q446 PolarHBondContact O-N 3.44Å; N444-Q446 WeakPolarHBondContact OD1-CB 3.37Å; N444-Q446 PolarHBondContact OD1-N 3.1Å; N444-T447 PolarHBondContact O-N 3.04Å; N444-T447 PolarHBondContact O-OG1 3.04Å
445	Y	85.6	Confident	88.2	Confident	68 Å²	68	46.2 Å²	46.2	27%	0.267	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-17	175.5	-64.4	-46.3	0	0	0	114.8	L173 R174 W177 E256 T447	L173-Y445 WeakPolarHBondContact O-CB 3.27Å; L173-Y445 VanDerWaalsContact O-CD1 3.28Å; L173-Y445 WeakPolarHBondContact O-CD1 3.36Å; R174-Y445 VanDerWaalsContact NH1-CD2 3.31Å; R174-Y445 VanDerWaalsContact NH1-CG 3.25Å; W177-Y445 HydrophobicContact CB-CD1 4.13Å; W177-Y445 HydrophobicContact CB-CE1 4.05Å; W177-Y445 AromaticContact CD1-CE1 3.64Å; W177-Y445 HydrophobicContact CD2-CE1 4.33Å; W177-Y445 HydrophobicContact CG-CD1 4.32Å; W177-Y445 AromaticContact CG-CE1 3.76Å; W177-Y445 HydrophobicContact CG-CE1 3.76Å; E256-Y445 WeakPolarHBondContact OE1-CD2 3.32Å; Y445-T447 VanDerWaalsContact C-N 3.3Å; Y445-T447 PolarHBondContact O-N 3.4Å
446	Q	86.3	Confident	88.7	Confident	30 Å²	30	42.2 Å²	42.2	14%	0.14	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	26.7	178.3	-61.9	179.3	-39.8	0	0	113	S260 N444 L448 E449 L450	S260-Q446 VanDerWaalsContact OG-CD 3.32Å; S260-Q446 PolarHBondContact OG-NE2 3.42Å; S260-Q446 PolarHBondContact OG-OE1 3Å; N444-Q446 PolarHBondContact O-N 3.44Å; N444-Q446 WeakPolarHBondContact OD1-CB 3.37Å; N444-Q446 PolarHBondContact OD1-N 3.1Å; Q446-L448 VanDerWaalsContact C-N 3.29Å; Q446-L448 PolarHBondContact O-N 3.11Å; Q446-E449 HydrophobicContact CB-CB 4.35Å; Q446-E449 WeakPolarHBondContact O-CB 3.22Å; Q446-E449 PolarHBondContact O-N 3.38Å; Q446-L450 PolarHBondContact O-N 3.32Å
447	T	89.5	Confident	89.1	Confident	4 Å²	4	40.3 Å²	40.3	3%	0.025	21%	0.207	C	C	.	.	H	α-helix	trans	-56.7	-40.9	-177.6	-22.9	0	0	0	0	112.7	T176 I334 T441 N444 Y445 E449 L450 E451	T176-T447 PolarHBondContact OG1-OG1 2.74Å; I334-T447 HydrophobicContact CD1-CG2 3.92Å; T441-T447 HydrophobicContact CG2-CG2 3.9Å; N444-T447 PolarHBondContact O-N 3.04Å; N444-T447 PolarHBondContact O-OG1 3.04Å; Y445-T447 VanDerWaalsContact C-N 3.3Å; Y445-T447 PolarHBondContact O-N 3.4Å; T447-E449 PolarHBondContact O-N 3.12Å; T447-L450 PolarHBondContact O-N 3.29Å; T447-L450 VanDerWaalsContact O-N 3.1Å; T447-E451 PolarHBondContact O-N 2.95Å; T447-E451 VanDerWaalsContact O-N 3.14Å
448	L	90.5	Very high	89.3	Confident	2 Å²	2	40.1 Å²	40.1	1%	0.01	21%	0.205	C	C	.	.	H	α-helix	trans	-62.9	-25.5	178.2	-78.7	90.8	0	0	0	113.2	F171 Y172 T176 Y317 V404 Q446 G452 V458	F171-L448 HydrophobicContact CE1-CD2 4.31Å; Y172-L448 HydrophobicContact CD1-CB 4.44Å; Y172-L448 HydrophobicContact CD1-CD2 4.04Å; Y172-L448 WeakPolarHBondContact O-CD1 3.49Å; T176-L448 HydrophobicContact CG2-CD1 3.47Å; T176-L448 VanDerWaalsContact CG2-CD1 3.47Å; T176-L448 HydrophobicContact CG2-CG 4.43Å; Y317-L448 HydrophobicContact CD2-CB 4.32Å; Y317-L448 HydrophobicContact CD2-CD2 4.15Å; Y317-L448 HydrophobicContact CD2-CG 4.2Å; Y317-L448 HydrophobicContact CE2-CD2 4.27Å; Y317-L448 HydrophobicContact CE2-CG 4.08Å; V404-L448 HydrophobicContact CG1-CD2 4.06Å; Q446-L448 VanDerWaalsContact C-N 3.29Å; Q446-L448 PolarHBondContact O-N 3.11Å; L448-G452 PolarHBondContact O-N 2.66Å; L448-V458 HydrophobicContact CB-CG1 4.41Å
449	E	90.4	Very high	89.6	Confident	38 Å²	38	34.6 Å²	34.6	18%	0.178	18%	0.179	C	C	.	.	H	α-helix	trans	-71	-37.4	175.8	-172.2	174.1	127.8	0	0	111.1	Q446 T447 G452 V458 T459	Q446-E449 HydrophobicContact CB-CB 4.35Å; Q446-E449 WeakPolarHBondContact O-CB 3.22Å; Q446-E449 PolarHBondContact O-N 3.38Å; T447-E449 PolarHBondContact O-N 3.12Å; E449-G452 PolarHBondContact O-N 3.06Å; E449-V458 HydrophobicContact CB-CB 4.37Å; E449-V458 HydrophobicContact CB-CG1 4.33Å; E449-V458 HydrophobicContact CG-CB 4.33Å; E449-T459 PolarHBondContact OE2-OG1 3.48Å
450	L	88.4	Confident	89.8	Confident	50 Å²	50	32.8 Å²	32.8	26%	0.262	18%	0.179	S	C	.	.	H	α-helix	trans	-74.1	-27	177.7	-61.1	175.5	0	0	0	113.2	K332 I334 Q446 T447	K332-L450 HydrophobicContact CB-CD1 3.92Å; K332-L450 HydrophobicContact CD-CD1 4.01Å; K332-L450 HydrophobicContact CD-CD2 3.93Å; I334-L450 HydrophobicContact CG1-CB 4.12Å; Q446-L450 PolarHBondContact O-N 3.32Å; T447-L450 PolarHBondContact O-N 3.29Å; T447-L450 VanDerWaalsContact O-N 3.1Å
451	E	90.2	Very high	89.9	Confident	7 Å²	7	32.7 Å²	32.7	3%	0.033	18%	0.178	C	C	.	.	H	α-helix	trans	-83.2	-16.1	174	-68.7	-164.7	161.6	0	0	113.8	Y317 G320 T321 I334 T408 S411 S412 T447	Y317-E451 HydrophobicContact CD2-CB 4.25Å; Y317-E451 HydrophobicContact CE2-CB 3.87Å; Y317-E451 WeakPolarHBondContact CE2-OE2 3.12Å; Y317-E451 PolarHBondContact OH-OE2 3Å; G320-E451 CarbonylContact C-O 3.58Å; G320-E451 WeakPolarHBondContact CA-O 3.11Å; T321-E451 HydrophobicContact CG2-CB 4.44Å; T321-E451 PolarHBondContact N-O 3.44Å; I334-E451 HydrophobicContact CD1-CG 3.63Å; I334-E451 HydrophobicContact CG1-CG 4.16Å; I334-E451 HydrophobicContact CG2-CG 4.1Å; T408-E451 WeakPolarHBondContact CG2-OE1 3.3Å; T408-E451 WeakPolarHBondContact CG2-OE2 3.27Å; T408-E451 PolarHBondContact OG1-OE2 3.03Å; S411-E451 PolarHBondContact OG-OE1 3.25Å; S411-E451 VanDerWaalsContact OG-OE1 3.07Å; S412-E451 WeakPolarHBondContact CB-OE1 3.13Å; T447-E451 PolarHBondContact O-N 2.95Å; T447-E451 VanDerWaalsContact O-N 3.14Å
452	G	90.8	Very high	90	Very high	13 Å²	13	32.8 Å²	32.8	13%	0.134	18%	0.179	C	C	.	.	S	Bend	trans	-74.3	142.2	-178.6	0	0	0	0	0	113.4	L448 E449 W454	L448-G452 PolarHBondContact O-N 2.66Å; E449-G452 PolarHBondContact O-N 3.06Å; G452-W454 PolarHBondContact O-N 3.08Å; G452-W454 VanDerWaalsContact O-N 3.12Å
453	A	91.8	Very high	90.1	Very high	46 Å²	46	35 Å²	35	38%	0.38	19%	0.188	S	C	.	.	S	Bend	trans	-58	-31.3	-179.9	0	0	0	0	0	112.9	N316 V319 G320 L323	N316-A453 PolarHBondContact O-N 3.18Å; V319-A453 HydrophobicContact CB-CB 4.42Å; V319-A453 HydrophobicContact CG1-CB 4.07Å; G320-A453 VanDerWaalsContact CA-N 3.33Å; L323-A453 HydrophobicContact CD1-CB 3.71Å
454	W	91.6	Very high	90.3	Very high	160 Å²	160	32.3 Å²	32.3	61%	0.606	17%	0.174	S	C	*	.	S	Bend	trans	-137.3	107.4	168.7	-172.2	48.7	0	0	0	110.2	N316 G452 P456 L457	N316-W454 PolarHBondContact ND2-O 2.69Å; N316-W454 PolarHBondContact OD1-N 3Å; G452-W454 PolarHBondContact O-N 3.08Å; G452-W454 VanDerWaalsContact O-N 3.12Å; W454-P456 HydrophobicContact CD2-CB 4.45Å; W454-P456 HydrophobicContact CH2-CB 4.27Å; W454-P456 HydrophobicContact CZ2-CB 3.86Å; W454-P456 HydrophobicContact CZ2-CG 4.13Å; W454-L457 HydrophobicContact CD2-CB 4.34Å; W454-L457 HydrophobicContact CE3-CB 3.49Å; W454-L457 VanDerWaalsContact CE3-CB 3.49Å; W454-L457 HydrophobicContact CE3-CD2 4.37Å; W454-L457 HydrophobicContact CZ3-CB 3.92Å; W454-L457 PolarHBondContact O-N 2.69Å
455	G	88.1	Confident	90.5	Very high	17 Å²	17	31.2 Å²	31.2	18%	0.175	17%	0.168	C	C	.	.	H	α-helix	trans	-50.5	-50.8	-176.3	0	0	0	0	0	115	L457 V458 T459	G455-L457 PolarHBondContact O-N 2.81Å; G455-V458 WeakPolarHBondContact O-CA 3.47Å; G455-V458 VanDerWaalsContact O-CB 3.31Å; G455-V458 WeakPolarHBondContact O-CB 3.43Å; G455-V458 PolarHBondContact O-N 3.03Å; G455-T459 PolarHBondContact O-N 3.28Å; G455-T459 PolarHBondContact O-OG1 2.95Å; G455-T459 VanDerWaalsContact O-OG1 3.14Å
456	P	91	Very high	90.8	Very high	70 Å²	70	28 Å²	28	46%	0.455	16%	0.156	S	C	.	.	H	α-helix	trans	-56.6	-25.9	-179.2	-29	36.1	0	0	0	115.5	W454 A460	W454-P456 HydrophobicContact CD2-CB 4.45Å; W454-P456 HydrophobicContact CH2-CB 4.27Å; W454-P456 HydrophobicContact CZ2-CB 3.86Å; W454-P456 HydrophobicContact CZ2-CG 4.13Å; P456-A460 WeakPolarHBondContact O-CB 3.49Å; P456-A460 PolarHBondContact O-N 3.08Å
457	L	93	Very high	91	Very high	41 Å²	41	28.5 Å²	28.5	22%	0.215	16%	0.159	C	C	.	.	H	α-helix	trans	-77.5	-30.7	173.8	177.4	59.1	0	0	0	112.2	A312 S313 N316 W454 G455 G461	A312-L457 HydrophobicContact CB-CD1 4.29Å; S313-L457 WeakPolarHBondContact CB-O 3.38Å; N316-L457 HydrophobicContact CB-CD2 3.7Å; N316-L457 HydrophobicContact CB-CG 4.19Å; W454-L457 HydrophobicContact CD2-CB 4.34Å; W454-L457 HydrophobicContact CE3-CB 3.49Å; W454-L457 VanDerWaalsContact CE3-CB 3.49Å; W454-L457 HydrophobicContact CE3-CD2 4.37Å; W454-L457 HydrophobicContact CZ3-CB 3.92Å; W454-L457 PolarHBondContact O-N 2.69Å; G455-L457 PolarHBondContact O-N 2.81Å; L457-G461 PolarHBondContact O-N 3Å
458	V	91.6	Very high	91	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-64.4	-48.5	167.4	-171.7	0	0	0	0	109.5	Y172 S313 N316 L448 E449 G455 A460 G461 I462	Y172-V458 HydrophobicContact CD1-CG1 3.89Å; Y172-V458 HydrophobicContact CE1-CG1 3.86Å; S313-V458 WeakPolarHBondContact OG-CA 3.32Å; N316-V458 VanDerWaalsContact ND2-CG2 3.31Å; N316-V458 WeakPolarHBondContact ND2-CG2 3.39Å; L448-V458 HydrophobicContact CB-CG1 4.41Å; E449-V458 HydrophobicContact CB-CB 4.37Å; E449-V458 HydrophobicContact CB-CG1 4.33Å; E449-V458 HydrophobicContact CG-CB 4.33Å; G455-V458 WeakPolarHBondContact O-CA 3.47Å; G455-V458 VanDerWaalsContact O-CB 3.31Å; G455-V458 WeakPolarHBondContact O-CB 3.43Å; G455-V458 PolarHBondContact O-N 3.03Å; V458-A460 VanDerWaalsContact C-N 3.32Å; V458-A460 PolarHBondContact O-N 3.07Å; V458-G461 CarbonylContact O-C 3.58Å; V458-G461 VanDerWaalsContact O-CA 3.23Å; V458-G461 WeakPolarHBondContact O-CA 3.39Å; V458-G461 PolarHBondContact O-N 3.25Å; V458-I462 WeakPolarHBondContact O-CG1 3.18Å; V458-I462 PolarHBondContact O-N 3.26Å
459	T	91.3	Very high	90.9	Very high	12 Å²	12	28.6 Å²	28.6	7%	0.074	16%	0.16	C	C	.	.	H	α-helix	trans	-56.2	-43.9	176.2	-33.2	0	0	0	0	112.2	T257 L261 E449 G455 G461 I462 F463	T257-T459 HydrophobicContact CG2-CG2 4.42Å; L261-T459 HydrophobicContact CD1-CG2 3.64Å; L261-T459 HydrophobicContact CD2-CG2 4.06Å; L261-T459 HydrophobicContact CG-CG2 4.36Å; E449-T459 PolarHBondContact OE2-OG1 3.48Å; G455-T459 PolarHBondContact O-N 3.28Å; G455-T459 PolarHBondContact O-OG1 2.95Å; G455-T459 VanDerWaalsContact O-OG1 3.14Å; T459-G461 VanDerWaalsContact C-N 3.28Å; T459-G461 PolarHBondContact O-N 3.47Å; T459-I462 WeakPolarHBondContact O-CB 3.39Å; T459-I462 PolarHBondContact O-N 3.01Å; T459-I462 VanDerWaalsContact O-N 3.14Å; T459-F463 HydrophobicContact CG2-CE2 4.4Å; T459-F463 HydrophobicContact CG2-CZ 4.24Å; T459-F463 PolarHBondContact O-N 3.06Å
460	A	92.5	Very high	90.9	Very high	37 Å²	37	26.8 Å²	26.8	31%	0.306	15%	0.152	S	C	.	.	H	α-helix	trans	-62.8	-34.2	173.2	0	0	0	0	0	112.5	I309 P456 V458 A464	I309-A460 HydrophobicContact CG2-CB 4.09Å; P456-A460 WeakPolarHBondContact O-CB 3.49Å; P456-A460 PolarHBondContact O-N 3.08Å; V458-A460 VanDerWaalsContact C-N 3.32Å; V458-A460 PolarHBondContact O-N 3.07Å; A460-A464 WeakPolarHBondContact O-CB 3.07Å; A460-A464 PolarHBondContact O-N 3.47Å
461	G	92	Very high	90.8	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.2	-40.4	169.7	0	0	0	0	0	113.7	L457 V458 T459 A464 A465	L457-G461 PolarHBondContact O-N 3Å; V458-G461 CarbonylContact O-C 3.58Å; V458-G461 VanDerWaalsContact O-CA 3.23Å; V458-G461 WeakPolarHBondContact O-CA 3.39Å; V458-G461 PolarHBondContact O-N 3.25Å; T459-G461 VanDerWaalsContact C-N 3.28Å; T459-G461 PolarHBondContact O-N 3.47Å; G461-A464 PolarHBondContact O-N 3.02Å; G461-A465 VanDerWaalsContact O-CB 3.26Å; G461-A465 WeakPolarHBondContact O-CB 3.44Å; G461-A465 PolarHBondContact O-N 2.82Å
462	I	91.5	Very high	90.6	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.015	14%	0.142	C	C	.	.	H	α-helix	trans	-61.7	-46.3	174.6	-58.7	172.5	0	0	0	110.1	Y172 L173 T257 V458 T459 A465 S466	Y172-I462 HydrophobicContact CD1-CG1 3.96Å; Y172-I462 HydrophobicContact CD2-CG1 4.01Å; Y172-I462 HydrophobicContact CG-CG1 3.62Å; L173-I462 HydrophobicContact CD2-CD1 4.18Å; L173-I462 HydrophobicContact CD2-CG2 4.36Å; T257-I462 HydrophobicContact CG2-CB 4.39Å; T257-I462 HydrophobicContact CG2-CD1 4.27Å; T257-I462 HydrophobicContact CG2-CG2 3.87Å; T257-I462 WeakPolarHBondContact OG1-CG2 3.45Å; V458-I462 WeakPolarHBondContact O-CG1 3.18Å; V458-I462 PolarHBondContact O-N 3.26Å; T459-I462 WeakPolarHBondContact O-CB 3.39Å; T459-I462 PolarHBondContact O-N 3.01Å; T459-I462 VanDerWaalsContact O-N 3.14Å; I462-A465 PolarHBondContact O-N 2.67Å; I462-S466 WeakPolarHBondContact O-CB 3.31Å; I462-S466 PolarHBondContact O-N 3.28Å; I462-S466 PolarHBondContact O-OG 2.88Å
463	F	92.4	Very high	90.5	Very high	56 Å²	56	24.3 Å²	24.3	25%	0.246	14%	0.138	C	C	.	.	H	α-helix	trans	-63	-42	174.8	-65.2	-17	0	0	0	112	F254 T257 I258 L261 T459 S466 L467	F254-F463 HydrophobicContact CD2-CB 4.39Å; F254-F463 AromaticContact CD2-CD1 3.58Å; F254-F463 HydrophobicContact CD2-CD1 3.58Å; F254-F463 HydrophobicContact CD2-CE1 4.17Å; F254-F463 HydrophobicContact CD2-CG 4.22Å; F254-F463 HydrophobicContact CE2-CB 4.01Å; F254-F463 AromaticContact CE2-CD1 3.45Å; F254-F463 HydrophobicContact CE2-CD1 3.45Å; F254-F463 VanDerWaalsContact CE2-CD1 3.45Å; F254-F463 HydrophobicContact CE2-CD2 4.5Å; F254-F463 AromaticContact CE2-CE1 3.97Å; F254-F463 HydrophobicContact CE2-CE1 3.97Å; F254-F463 AromaticContact CE2-CG 3.75Å; F254-F463 HydrophobicContact CE2-CG 3.75Å; T257-F463 HydrophobicContact CG2-CD1 4.33Å; T257-F463 HydrophobicContact CG2-CE1 3.71Å; I258-F463 HydrophobicContact CG1-CE1 3.99Å; I258-F463 HydrophobicContact CG1-CZ 4.09Å; L261-F463 HydrophobicContact CD1-CE1 4.26Å; L261-F463 HydrophobicContact CD1-CE2 4.49Å; L261-F463 HydrophobicContact CD1-CZ 3.6Å; T459-F463 HydrophobicContact CG2-CE2 4.4Å; T459-F463 HydrophobicContact CG2-CZ 4.24Å; T459-F463 PolarHBondContact O-N 3.06Å; F463-S466 WeakPolarHBondContact CA-OG 3.27Å; F463-S466 PolarHBondContact O-OG 2.96Å; F463-S466 VanDerWaalsContact O-OG 3.13Å; F463-L467 VanDerWaalsContact O-CB 3.28Å; F463-L467 WeakPolarHBondContact O-CB 3.45Å; F463-L467 WeakPolarHBondContact O-CG 3.27Å; F463-L467 PolarHBondContact O-N 3Å
464	A	91.6	Very high	90.3	Very high	2 Å²	2	22.7 Å²	22.7	2%	0.017	12%	0.123	C	C	.	.	H	α-helix	trans	-63	-47.9	176.9	0	0	0	0	0	112.3	L306 I309 A460 G461 S468	L306-A464 HydrophobicContact CB-CB 4.22Å; L306-A464 HydrophobicContact CD2-CB 4.15Å; I309-A464 HydrophobicContact CB-CB 4.11Å; I309-A464 HydrophobicContact CG2-CB 3.92Å; A460-A464 WeakPolarHBondContact O-CB 3.07Å; A460-A464 PolarHBondContact O-N 3.47Å; G461-A464 PolarHBondContact O-N 3.02Å; A464-S468 WeakPolarHBondContact O-CB 3.47Å; A464-S468 PolarHBondContact O-N 2.65Å; A464-S468 PolarHBondContact O-OG 3.05Å
465	A	91	Very high	90	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.7	-49	178.6	0	0	0	0	0	113.4	F167 Y172 L310 G461 I462 S468 S469	F167-A465 WeakPolarHBondContact O-CB 3.36Å; Y172-A465 HydrophobicContact CD2-CB 4.1Å; Y172-A465 HydrophobicContact CE2-CB 3.86Å; L310-A465 HydrophobicContact CD1-CB 3.76Å; G461-A465 VanDerWaalsContact O-CB 3.26Å; G461-A465 WeakPolarHBondContact O-CB 3.44Å; G461-A465 PolarHBondContact O-N 2.82Å; I462-A465 PolarHBondContact O-N 2.67Å; A465-S468 PolarHBondContact O-OG 3.09Å; A465-S469 VanDerWaalsContact O-CB 3.25Å; A465-S469 WeakPolarHBondContact O-CB 3.49Å; A465-S469 PolarHBondContact O-N 3.36Å; A465-S469 VanDerWaalsContact O-N 3.15Å; A465-S469 PolarHBondContact O-OG 2.8Å
466	S	91.3	Very high	89.8	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-67.1	-50.9	-178.8	52.9	0	0	0	0	111.7	F254 I462 F463 S469 A470	F254-S466 WeakPolarHBondContact CD2-OG 3.45Å; I462-S466 WeakPolarHBondContact O-CB 3.31Å; I462-S466 PolarHBondContact O-N 3.28Å; I462-S466 PolarHBondContact O-OG 2.88Å; F463-S466 WeakPolarHBondContact CA-OG 3.27Å; F463-S466 PolarHBondContact O-OG 2.96Å; F463-S466 VanDerWaalsContact O-OG 3.13Å; S466-S469 PolarHBondContact O-N 2.81Å; S466-A470 VanDerWaalsContact O-CB 3.3Å; S466-A470 WeakPolarHBondContact O-CB 3.32Å; S466-A470 PolarHBondContact O-N 3.23Å
467	L	90.3	Very high	89.5	Confident	40 Å²	40	11.5 Å²	11.5	21%	0.209	7%	0.067	C	C	.	.	H	α-helix	trans	-68.2	-38.5	-179.2	-61.5	174.4	0	0	0	112.4	F254 T284 L288 F463 A470 L471	F254-L467 HydrophobicContact CD1-CD2 4.27Å; F254-L467 HydrophobicContact CD2-CD1 4.34Å; F254-L467 HydrophobicContact CD2-CD2 3.9Å; F254-L467 HydrophobicContact CD2-CG 3.92Å; F254-L467 HydrophobicContact CE1-CD2 4.25Å; F254-L467 HydrophobicContact CE2-CD1 3.78Å; F254-L467 HydrophobicContact CE2-CD2 3.92Å; F254-L467 HydrophobicContact CE2-CG 3.87Å; F254-L467 HydrophobicContact CG-CD2 4.07Å; F254-L467 HydrophobicContact CZ-CD1 4.2Å; F254-L467 HydrophobicContact CZ-CD2 4.08Å; F254-L467 HydrophobicContact CZ-CG 4.44Å; T284-L467 HydrophobicContact CG2-CD2 4Å; L288-L467 HydrophobicContact CD1-CD2 4.46Å; L288-L467 HydrophobicContact CD2-CD2 4.14Å; F463-L467 VanDerWaalsContact O-CB 3.28Å; F463-L467 WeakPolarHBondContact O-CB 3.45Å; F463-L467 WeakPolarHBondContact O-CG 3.27Å; F463-L467 PolarHBondContact O-N 3Å; L467-A470 PolarHBondContact O-N 3.03Å; L467-L471 WeakPolarHBondContact O-CB 3.13Å; L467-L471 VanDerWaalsContact O-CG 3.28Å; L467-L471 WeakPolarHBondContact O-CG 3.46Å; L467-L471 PolarHBondContact O-N 3.47Å
468	S	88.9	Confident	89.3	Confident	3 Å²	3	9.6 Å²	9.6	2%	0.021	6%	0.057	C	C	.	.	H	α-helix	trans	-66	-41.4	177.3	66.5	0	0	0	0	112.3	A464 A465 G472	A464-S468 WeakPolarHBondContact O-CB 3.47Å; A464-S468 PolarHBondContact O-N 2.65Å; A464-S468 PolarHBondContact O-OG 3.05Å; A465-S468 PolarHBondContact O-OG 3.09Å; S468-G472 PolarHBondContact O-N 3.41Å
469	S	89.3	Confident	89	Confident	5 Å²	5	12 Å²	12	4%	0.035	7%	0.068	C	C	.	.	H	α-helix	trans	-67.9	-42.3	177.8	-61.7	0	0	0	0	111.5	L164 A465 S466 G472 A473	L164-S469 PolarHBondContact O-OG 3.27Å; L164-S469 VanDerWaalsContact O-OG 3.13Å; A465-S469 VanDerWaalsContact O-CB 3.25Å; A465-S469 WeakPolarHBondContact O-CB 3.49Å; A465-S469 PolarHBondContact O-N 3.36Å; A465-S469 VanDerWaalsContact O-N 3.15Å; A465-S469 PolarHBondContact O-OG 2.8Å; S466-S469 PolarHBondContact O-N 2.81Å; S469-G472 PolarHBondContact O-N 2.86Å; S469-A473 WeakPolarHBondContact O-CB 3.45Å; S469-A473 PolarHBondContact O-N 2.92Å
470	A	90.2	Very high	88.7	Confident	1 Å²	1	11.9 Å²	11.9	1%	0.008	7%	0.066	C	C	.	.	H	α-helix	trans	-61.4	-46.8	175.5	0	0	0	0	0	111.9	T250 V251 L288 S466 L467 G472 A473 M474	T250-A470 VanDerWaalsContact OG1-CA 3.32Å; T250-A470 WeakPolarHBondContact OG1-CA 3.45Å; T250-A470 WeakPolarHBondContact OG1-CB 3.49Å; V251-A470 HydrophobicContact CG2-CB 3.98Å; L288-A470 HydrophobicContact CD1-CB 3.67Å; S466-A470 VanDerWaalsContact O-CB 3.3Å; S466-A470 WeakPolarHBondContact O-CB 3.32Å; S466-A470 PolarHBondContact O-N 3.23Å; L467-A470 PolarHBondContact O-N 3.03Å; A470-G472 PolarHBondContact O-N 3.08Å; A470-A473 PolarHBondContact O-N 3Å; A470-M474 WeakPolarHBondContact O-CB 3.17Å; A470-M474 VanDerWaalsContact O-CG 3.3Å; A470-M474 WeakPolarHBondContact O-CG 3.45Å; A470-M474 PolarHBondContact O-N 2.85Å
471	L	87.4	Confident	88.5	Confident	7 Å²	7	10.9 Å²	10.9	4%	0.037	6%	0.055	C	C	.	.	H	α-helix	trans	-59.2	-46.5	174.8	-75	170.6	0	0	0	111.9	L288 I291 V292 L467 A473 M474 V475	L288-L471 HydrophobicContact CD2-CD1 4.47Å; L288-L471 HydrophobicContact CD2-CD2 3.73Å; L288-L471 HydrophobicContact CD2-CG 3.85Å; I291-L471 HydrophobicContact CB-CD2 4.3Å; I291-L471 HydrophobicContact CG2-CD2 3.9Å; V292-L471 HydrophobicContact CG2-CD2 3.97Å; L467-L471 WeakPolarHBondContact O-CB 3.13Å; L467-L471 VanDerWaalsContact O-CG 3.28Å; L467-L471 WeakPolarHBondContact O-CG 3.46Å; L467-L471 PolarHBondContact O-N 3.47Å; L471-A473 PolarHBondContact O-N 2.99Å; L471-M474 PolarHBondContact O-N 3.27Å; L471-V475 WeakPolarHBondContact O-CG2 3.42Å; L471-V475 PolarHBondContact O-N 3.23Å
472	G	85.6	Confident	88.3	Confident	4 Å²	4	11.5 Å²	11.5	4%	0.041	6%	0.058	C	C	.	.	H	α-helix	trans	-58.5	-45.5	178	0	0	0	0	0	112.6	S468 S469 A470 V475 S476	S468-G472 PolarHBondContact O-N 3.41Å; S469-G472 PolarHBondContact O-N 2.86Å; A470-G472 PolarHBondContact O-N 3.08Å; G472-V475 PolarHBondContact O-N 3.44Å; G472-S476 WeakPolarHBondContact O-CB 3.33Å; G472-S476 PolarHBondContact O-N 2.88Å; G472-S476 PolarHBondContact O-OG 3.08Å
473	A	88.3	Confident	88	Confident	6 Å²	6	12 Å²	12	5%	0.05	6%	0.062	C	C	.	.	H	α-helix	trans	-68.3	-40.1	178.3	0	0	0	0	0	113.3	A246 A247 S469 A470 L471 V475 S476 G477	A246-A473 HydrophobicContact CB-CB 4Å; A247-A473 HydrophobicContact CB-CB 3.95Å; S469-A473 WeakPolarHBondContact O-CB 3.45Å; S469-A473 PolarHBondContact O-N 2.92Å; A470-A473 PolarHBondContact O-N 3Å; L471-A473 PolarHBondContact O-N 2.99Å; A473-V475 VanDerWaalsContact C-N 3.28Å; A473-V475 PolarHBondContact O-N 3.08Å; A473-S476 WeakPolarHBondContact CA-OG 3.29Å; A473-S476 PolarHBondContact O-N 2.91Å; A473-S476 PolarHBondContact O-OG 3.4Å; A473-S476 VanDerWaalsContact O-OG 3.07Å; A473-G477 PolarHBondContact O-N 3.48Å
474	M	88	Confident	87.8	Confident	13 Å²	13	9.3 Å²	9.3	6%	0.064	5%	0.051	C	C	.	.	H	α-helix	trans	-68.9	-22.5	176	-73.4	-172.2	-179.2	0	0	113.3	A247 V251 A285 L288 V292 A470 L471 P478 T517	A247-M474 HydrophobicContact CB-CE 4.27Å; A247-M474 HydrophobicContact CB-CG 3.78Å; V251-M474 HydrophobicContact CG2-CE 4.02Å; A285-M474 HydrophobicContact CB-CE 4.21Å; L288-M474 HydrophobicContact CB-CE 4.25Å; L288-M474 HydrophobicContact CB-SD 3.73Å; L288-M474 HydrophobicContact CD1-CE 4.15Å; L288-M474 HydrophobicContact CD1-SD 4.34Å; V292-M474 HydrophobicContact CG2-CB 4.15Å; A470-M474 WeakPolarHBondContact O-CB 3.17Å; A470-M474 VanDerWaalsContact O-CG 3.3Å; A470-M474 WeakPolarHBondContact O-CG 3.45Å; A470-M474 PolarHBondContact O-N 2.85Å; L471-M474 PolarHBondContact O-N 3.27Å; M474-P478 WeakPolarHBondContact O-CD 3.33Å; M474-P478 WeakPolarHBondContact O-CG 3.47Å; M474-T517 HydrophobicContact CE-CG2 4.04Å
475	V	84.3	Confident	87.6	Confident	8 Å²	8	9.3 Å²	9.3	5%	0.048	5%	0.05	C	C	.	.	H	α-helix	trans	-89.2	-37.6	173.8	173.5	0	0	0	0	112	V292 V296 E299 L471 G472 A473 K479	V292-V475 HydrophobicContact CG1-CG2 4.09Å; V292-V475 HydrophobicContact CG2-CG2 3.97Å; V296-V475 HydrophobicContact CG2-CG1 4.5Å; E299-V475 HydrophobicContact CG-CG2 4.19Å; L471-V475 WeakPolarHBondContact O-CG2 3.42Å; L471-V475 PolarHBondContact O-N 3.23Å; G472-V475 PolarHBondContact O-N 3.44Å; A473-V475 VanDerWaalsContact C-N 3.28Å; A473-V475 PolarHBondContact O-N 3.08Å; V475-K479 HydrophobicContact CG1-CD 3.98Å; V475-K479 WeakPolarHBondContact O-CG 3.45Å
476	S	83.7	Confident	87.3	Confident	4 Å²	4	13.6 Å²	13.6	3%	0.028	7%	0.069	C	C	.	.	H	α-helix	trans	-69.2	-48.6	-176.2	62.1	0	0	0	0	112.9	N243 G472 A473 K479 L480	N243-S476 PolarHBondContact OD1-OG 3.04Å; G472-S476 WeakPolarHBondContact O-CB 3.33Å; G472-S476 PolarHBondContact O-N 2.88Å; G472-S476 PolarHBondContact O-OG 3.08Å; A473-S476 WeakPolarHBondContact CA-OG 3.29Å; A473-S476 PolarHBondContact O-N 2.91Å; A473-S476 PolarHBondContact O-OG 3.4Å; A473-S476 VanDerWaalsContact O-OG 3.07Å; S476-K479 PolarHBondContact O-N 3.05Å; S476-L480 WeakPolarHBondContact O-CB 3.15Å; S476-L480 PolarHBondContact O-N 3.05Å
477	G	86.3	Confident	87	Confident	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-56.7	-51.9	-177.5	0	0	0	0	0	113.4	S240 A473 K479 L480 F481	S240-G477 PolarHBondContact OG-O 3.46Å; A473-G477 PolarHBondContact O-N 3.48Å; G477-K479 PolarHBondContact O-N 3.15Å; G477-L480 WeakPolarHBondContact O-CB 3.37Å; G477-L480 PolarHBondContact O-N 3.09Å; G477-F481 WeakPolarHBondContact O-CB 3.26Å; G477-F481 PolarHBondContact O-N 2.87Å
478	P	87.8	Confident	86.7	Confident	1 Å²	1	17 Å²	17	1%	0.006	8%	0.081	C	C	.	.	H	α-helix	trans	-62.8	-39.2	177.7	-31.4	40.9	0	0	0	115.2	M474 L480 F481 Q482 P506 A509 I510 T513	M474-P478 WeakPolarHBondContact O-CD 3.33Å; M474-P478 WeakPolarHBondContact O-CG 3.47Å; P478-L480 VanDerWaalsContact C-N 3.34Å; P478-F481 PolarHBondContact O-N 3.43Å; P478-Q482 WeakPolarHBondContact O-CB 3.42Å; P478-Q482 PolarHBondContact O-N 2.99Å; P478-P506 HydrophobicContact CB-CB 4.39Å; P478-P506 HydrophobicContact CB-CG 3.79Å; P478-A509 HydrophobicContact CB-CB 3.99Å; P478-I510 HydrophobicContact CB-CB 4.39Å; P478-I510 HydrophobicContact CB-CG1 3.55Å; P478-I510 HydrophobicContact CG-CB 4.29Å; P478-I510 HydrophobicContact CG-CG1 3.76Å; P478-T513 HydrophobicContact CG-CG2 3.86Å; P478-T513 VanDerWaalsContact CG-OG1 3.23Å; P478-T513 WeakPolarHBondContact CG-OG1 3.49Å
479	K	84.6	Confident	86.4	Confident	50 Å²	50	16.9 Å²	16.9	22%	0.217	8%	0.081	C	C	.	.	H	α-helix	trans	-63.7	-43.4	177	-76.1	179.2	177.6	178.4	0	110.7	V475 S476 G477 Q482 A483 P506	V475-K479 HydrophobicContact CG1-CD 3.98Å; V475-K479 WeakPolarHBondContact O-CG 3.45Å; S476-K479 PolarHBondContact O-N 3.05Å; G477-K479 PolarHBondContact O-N 3.15Å; K479-Q482 PolarHBondContact O-N 3.37Å; K479-A483 PolarHBondContact O-N 3.5Å; K479-P506 HydrophobicContact CG-CG 4.24Å
480	L	86	Confident	86.2	Confident	9 Å²	9	17.6 Å²	17.6	5%	0.047	8%	0.083	C	C	.	.	H	α-helix	trans	-59.8	-48.9	173.5	171.9	57.7	0	0	0	111.7	Y220 F239 S476 G477 P478 Q482 A483 I484	Y220-L480 HydrophobicContact CD2-CD1 4.13Å; Y220-L480 HydrophobicContact CG-CD1 3.78Å; F239-L480 HydrophobicContact CB-CD2 3.85Å; F239-L480 HydrophobicContact CD1-CD2 3.44Å; F239-L480 VanDerWaalsContact CD1-CD2 3.44Å; F239-L480 HydrophobicContact CE1-CD2 4.18Å; F239-L480 HydrophobicContact CG-CD2 3.74Å; S476-L480 WeakPolarHBondContact O-CB 3.15Å; S476-L480 PolarHBondContact O-N 3.05Å; G477-L480 WeakPolarHBondContact O-CB 3.37Å; G477-L480 PolarHBondContact O-N 3.09Å; P478-L480 VanDerWaalsContact C-N 3.34Å; L480-Q482 PolarHBondContact O-N 3.02Å; L480-A483 PolarHBondContact O-N 3Å; L480-I484 HydrophobicContact CD1-CD1 4.24Å; L480-I484 HydrophobicContact CG-CD1 4.33Å; L480-I484 WeakPolarHBondContact O-CG1 3.36Å; L480-I484 PolarHBondContact O-N 3.03Å; L480-I484 VanDerWaalsContact O-N 3.15Å
481	F	87.7	Confident	85.7	Confident	17 Å²	17	20.5 Å²	20.5	8%	0.075	10%	0.102	C	C	.	.	H	α-helix	trans	-63.5	-39.5	179.6	-158.2	-104.7	0	0	0	113	G477 P478 I484 A485 L493 F496 A509 F512	G477-F481 WeakPolarHBondContact O-CB 3.26Å; G477-F481 PolarHBondContact O-N 2.87Å; P478-F481 PolarHBondContact O-N 3.43Å; F481-I484 PolarHBondContact O-N 3.19Å; F481-A485 PolarHBondContact O-N 2.9Å; F481-A485 VanDerWaalsContact O-N 3.07Å; F481-L493 HydrophobicContact CE1-CD2 4.38Å; F481-L493 HydrophobicContact CE2-CD1 4.35Å; F481-L493 HydrophobicContact CZ-CD1 4.15Å; F481-L493 HydrophobicContact CZ-CD2 3.84Å; F481-F496 HydrophobicContact CD1-CB 4.13Å; F481-F496 HydrophobicContact CD1-CD1 4.41Å; F481-F496 HydrophobicContact CD1-CD2 4.4Å; F481-F496 HydrophobicContact CD1-CG 4.07Å; F481-F496 HydrophobicContact CE1-CB 4.15Å; F481-F496 HydrophobicContact CE1-CD1 4.15Å; F481-F496 AromaticContact CE1-CD2 3.6Å; F481-F496 HydrophobicContact CE1-CD2 3.6Å; F481-F496 HydrophobicContact CE1-CE1 4.47Å; F481-F496 AromaticContact CE1-CE2 3.95Å; F481-F496 HydrophobicContact CE1-CE2 3.95Å; F481-F496 AromaticContact CE1-CG 3.7Å; F481-F496 HydrophobicContact CE1-CG 3.7Å; F481-F496 HydrophobicContact CE1-CZ 4.37Å; F481-F496 HydrophobicContact CZ-CD2 4.49Å; F481-A509 HydrophobicContact CB-CB 4.25Å; F481-A509 HydrophobicContact CD1-CB 4.05Å; F481-F512 HydrophobicContact CD1-CD1 4.4Å; F481-F512 AromaticContact CE1-CD1 3.94Å; F481-F512 HydrophobicContact CE1-CD1 3.94Å; F481-F512 HydrophobicContact CE1-CE1 4.05Å; F481-F512 HydrophobicContact CE2-CE1 4.17Å; F481-F512 HydrophobicContact CZ-CD1 4.1Å; F481-F512 AromaticContact CZ-CE1 3.72Å; F481-F512 HydrophobicContact CZ-CE1 3.72Å
482	Q	88.2	Confident	85.5	Confident	13 Å²	13	29.2 Å²	29.2	6%	0.061	14%	0.14	C	C	.	.	H	α-helix	trans	-64.9	-38.5	174.2	-169.3	-157.8	51.6	0	0	112.3	P478 K479 L480 I484 A485 K486 F496 H504 P506	P478-Q482 WeakPolarHBondContact O-CB 3.42Å; P478-Q482 PolarHBondContact O-N 2.99Å; K479-Q482 PolarHBondContact O-N 3.37Å; L480-Q482 PolarHBondContact O-N 3.02Å; Q482-I484 VanDerWaalsContact C-N 3.34Å; Q482-A485 PolarHBondContact O-N 3.34Å; Q482-K486 VanDerWaalsContact CD-NZ 3.26Å; Q482-K486 HydrophobicContact CG-CD 4.34Å; Q482-K486 WeakPolarHBondContact O-CG 3.47Å; Q482-K486 PolarHBondContact O-N 2.88Å; Q482-F496 WeakPolarHBondContact CG-O 3.42Å; Q482-H504 PolarHBondContact NE2-O 3.46Å; Q482-P506 HydrophobicContact CB-CB 3.64Å; Q482-P506 HydrophobicContact CG-CB 3.9Å
483	A	85.2	Confident	85.4	Confident	12 Å²	12	30.6 Å²	30.6	10%	0.099	15%	0.146	C	C	.	.	H	α-helix	trans	-63.2	-41.5	177	0	0	0	0	0	111.5	Y220 K479 L480 A485 K486 D487	Y220-A483 HydrophobicContact CD1-CB 3.56Å; Y220-A483 HydrophobicContact CE1-CB 3.93Å; K479-A483 PolarHBondContact O-N 3.5Å; L480-A483 PolarHBondContact O-N 3Å; A483-A485 VanDerWaalsContact C-N 3.34Å; A483-A485 PolarHBondContact O-N 3.37Å; A483-K486 PolarHBondContact O-N 3.19Å; A483-D487 PolarHBondContact O-N 3.01Å
484	I	87.8	Confident	85.2	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-62	-41.2	174.2	-60.4	158.7	0	0	0	111.5	Y220 G236 I237 L480 F481 Q482 D487 R488 F490 L493	Y220-I484 HydrophobicContact CD1-CG1 4.33Å; Y220-I484 HydrophobicContact CD2-CG1 3.85Å; Y220-I484 HydrophobicContact CE1-CG1 4Å; Y220-I484 HydrophobicContact CE2-CB 4.45Å; Y220-I484 HydrophobicContact CE2-CD1 4.43Å; Y220-I484 HydrophobicContact CE2-CG1 3.46Å; Y220-I484 VanDerWaalsContact CE2-CG1 3.46Å; Y220-I484 HydrophobicContact CG-CG1 4.27Å; G236-I484 WeakPolarHBondContact O-CD1 3.4Å; I237-I484 HydrophobicContact CG1-CD1 4.31Å; L480-I484 HydrophobicContact CD1-CD1 4.24Å; L480-I484 HydrophobicContact CG-CD1 4.33Å; L480-I484 WeakPolarHBondContact O-CG1 3.36Å; L480-I484 PolarHBondContact O-N 3.03Å; L480-I484 VanDerWaalsContact O-N 3.15Å; F481-I484 PolarHBondContact O-N 3.19Å; Q482-I484 VanDerWaalsContact C-N 3.34Å; I484-D487 PolarHBondContact O-N 3.42Å; I484-R488 PolarHBondContact O-N 2.93Å; I484-F490 HydrophobicContact CG2-CD2 4.03Å; I484-F490 HydrophobicContact CG2-CE2 4.28Å; I484-L493 HydrophobicContact CG2-CD1 4.42Å
485	A	87.7	Confident	85.2	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-65.7	-41.6	177.4	0	0	0	0	0	112.4	F481 Q482 A483 D487 R488 L493 F496 E497	F481-A485 PolarHBondContact O-N 2.9Å; F481-A485 VanDerWaalsContact O-N 3.07Å; Q482-A485 PolarHBondContact O-N 3.34Å; A483-A485 VanDerWaalsContact C-N 3.34Å; A483-A485 PolarHBondContact O-N 3.37Å; A485-D487 VanDerWaalsContact C-N 3.3Å; A485-D487 PolarHBondContact O-N 3.32Å; A485-R488 WeakPolarHBondContact O-CA 3.22Å; A485-R488 WeakPolarHBondContact O-CG 3.34Å; A485-R488 PolarHBondContact O-N 3.41Å; A485-L493 HydrophobicContact CB-CB 4.47Å; A485-L493 WeakPolarHBondContact CB-O 3.42Å; A485-F496 HydrophobicContact CB-CB 3.98Å; A485-E497 HydrophobicContact CB-CB 4.34Å
486	K	85.6	Confident	85.4	Confident	90 Å²	90	38.8 Å²	38.8	39%	0.391	18%	0.182	S	C	.	.	H	α-helix	trans	-60.5	-35.2	176.3	-78.2	168.2	176.3	171.9	0	113.5	Q482 A483 R488 E497	Q482-K486 VanDerWaalsContact CD-NZ 3.26Å; Q482-K486 HydrophobicContact CG-CD 4.34Å; Q482-K486 WeakPolarHBondContact O-CG 3.47Å; Q482-K486 PolarHBondContact O-N 2.88Å; A483-K486 PolarHBondContact O-N 3.19Å; K486-R488 PolarHBondContact O-N 2.97Å; K486-E497 HydrophobicContact CB-CG 4.45Å; K486-E497 WeakPolarHBondContact CE-O 3.42Å; K486-E497 HydrophobicContact CG-CG 3.78Å
487	D	84.1	Confident	85.4	Confident	27 Å²	27	41.1 Å²	41.1	14%	0.144	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-3.3	175.7	-81.9	-28	0	0	0	113.3	Y220 R225 A483 I484 A485 L489 W613	Y220-D487 WeakPolarHBondContact CE1-OD2 3.47Å; Y220-D487 PolarHBondContact OH-OD2 2.9Å; R225-D487 IonicContact CZ-OD1 3.14Å; R225-D487 IonicContact NH2-OD1 2.79Å; R225-D487 PolarHBondContact NH2-OD1 2.84Å; A483-D487 PolarHBondContact O-N 3.01Å; I484-D487 PolarHBondContact O-N 3.42Å; A485-D487 VanDerWaalsContact C-N 3.3Å; A485-D487 PolarHBondContact O-N 3.32Å; D487-L489 HydrophobicContact CB-CG 4.1Å; D487-L489 PolarHBondContact O-N 3.48Å; D487-W613 HydrophobicContact CB-CH2 3.69Å; D487-W613 HydrophobicContact CB-CZ2 4.04Å; D487-W613 WeakPolarHBondContact OD1-CZ2 3.4Å; D487-W613 WeakPolarHBondContact OD2-CH2 3.4Å
488	R	83.6	Confident	85.3	Confident	85 Å²	85	44 Å²	44	32%	0.321	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	28.1	175.7	-57.9	-171.2	-173.8	-165.3	4.1	115.4	I484 A485 K486 F490 D494 E497 R607	I484-R488 PolarHBondContact O-N 2.93Å; A485-R488 WeakPolarHBondContact O-CA 3.22Å; A485-R488 WeakPolarHBondContact O-CG 3.34Å; A485-R488 PolarHBondContact O-N 3.41Å; K486-R488 PolarHBondContact O-N 2.97Å; R488-F490 PolarHBondContact O-N 2.91Å; R488-D494 IonicContact NE-OD2 3.63Å; R488-E497 IonicContact CZ-OE1 2.98Å; R488-E497 IonicContact CZ-OE2 2.81Å; R488-E497 IonicContact NE-OE1 2.73Å; R488-E497 IonicContact NE-OE2 3.85Å; R488-E497 PolarHBondContact NE-OE2 3.38Å; R488-E497 VanDerWaalsContact NH2-CD 3.28Å; R488-E497 IonicContact NH2-OE1 3.32Å; R488-E497 PolarHBondContact NH2-OE1 2.81Å; R488-E497 IonicContact NH2-OE2 3.77Å; R488-E497 PolarHBondContact NH2-OE2 3.31Å; R488-R607 PolarHBondContact O-NH1 3.4Å
489	L	83.1	Confident	85.1	Confident	1 Å²	1	45 Å²	45	1%	0.005	22%	0.22	C	C	.	.	S	Bend	trans	-62.6	-25	178.4	-62.8	-174	0	0	0	112.9	Y220 A229 D487 L604 R607 P609 V611 W613	Y220-L489 VanDerWaalsContact OH-CD1 3.25Å; Y220-L489 WeakPolarHBondContact OH-CD1 3.29Å; A229-L489 HydrophobicContact CB-CD2 3.91Å; D487-L489 HydrophobicContact CB-CG 4.1Å; D487-L489 PolarHBondContact O-N 3.48Å; L489-L604 HydrophobicContact CB-CD2 4Å; L489-L604 WeakPolarHBondContact O-CD2 3.49Å; L489-R607 PolarHBondContact O-NH1 2.9Å; L489-P609 HydrophobicContact CD2-CB 4.37Å; L489-P609 HydrophobicContact CD2-CG 4.34Å; L489-V611 HydrophobicContact CD2-CG2 4.41Å; L489-W613 HydrophobicContact CD1-CH2 4.26Å; L489-W613 HydrophobicContact CD1-CZ3 4.2Å; L489-W613 HydrophobicContact CD2-CH2 3.89Å; L489-W613 HydrophobicContact CD2-CZ3 4.09Å; L489-W613 HydrophobicContact CG-CH2 4.31Å
490	F	84.9	Confident	84.9	Confident	19 Å²	19	46.3 Å²	46.3	8%	0.083	22%	0.224	C	C	.	.	S	Bend	trans	-128.9	108.4	174.9	-58.3	-88.2	0	0	0	108.6	I237 I484 R488 K492 L493 L600 Y603 L604	I237-F490 HydrophobicContact CD1-CD2 3.89Å; I237-F490 HydrophobicContact CD1-CE1 4.07Å; I237-F490 HydrophobicContact CD1-CE2 3.39Å; I237-F490 HydrophobicContact CD1-CG 4.42Å; I237-F490 HydrophobicContact CD1-CZ 3.49Å; I237-F490 VanDerWaalsContact CD1-CZ 3.49Å; I237-F490 HydrophobicContact CG1-CE2 4.27Å; I484-F490 HydrophobicContact CG2-CD2 4.03Å; I484-F490 HydrophobicContact CG2-CE2 4.28Å; R488-F490 PolarHBondContact O-N 2.91Å; F490-K492 PolarHBondContact O-N 3.41Å; F490-L493 HydrophobicContact CB-CB 4.34Å; F490-L493 HydrophobicContact CB-CD1 3.83Å; F490-L493 HydrophobicContact CB-CG 3.84Å; F490-L493 HydrophobicContact CD2-CD1 4.14Å; F490-L493 HydrophobicContact CG-CD1 4.2Å; F490-L493 WeakPolarHBondContact O-CB 3.12Å; F490-L493 PolarHBondContact O-N 2.76Å; F490-L600 HydrophobicContact CE1-CD2 3.88Å; F490-L600 HydrophobicContact CZ-CD2 4.1Å; F490-Y603 AromaticContact CD1-CD1 3.88Å; F490-Y603 HydrophobicContact CD1-CD1 3.88Å; F490-Y603 AromaticContact CD1-CE1 3.55Å; F490-Y603 HydrophobicContact CD1-CE1 3.55Å; F490-Y603 AromaticContact CE1-CD1 3.63Å; F490-Y603 HydrophobicContact CE1-CD1 3.63Å; F490-Y603 AromaticContact CE1-CE1 3.82Å; F490-Y603 HydrophobicContact CE1-CE1 3.82Å; F490-L604 HydrophobicContact CE1-CD2 4.05Å; F490-L604 HydrophobicContact CE1-CG 4.27Å; F490-L604 HydrophobicContact CE2-CD1 4.34Å; F490-L604 HydrophobicContact CE2-CD2 4.18Å; F490-L604 HydrophobicContact CZ-CD1 3.82Å; F490-L604 HydrophobicContact CZ-CD2 3.83Å; F490-L604 HydrophobicContact CZ-CG 3.95Å
491	P	78.8	Confident	84.4	Confident	63 Å²	63	48.7 Å²	48.7	41%	0.409	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-5.6	-166.4	30.3	-31.7	0	0	0	113.5	D494	P491-D494 WeakPolarHBondContact CA-OD1 3.46Å
492	K	83.3	Confident	83.4	Confident	190 Å²	190	56.8 Å²	56.8	83%	0.826	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-12.5	170.9	-66.5	-172.9	176.6	-175.1	0	112.7	F490	F490-K492 PolarHBondContact O-N 3.41Å
493	L	85.4	Confident	82.4	Confident	32 Å²	32	60.5 Å²	60.5	17%	0.168	31%	0.309	C	S	.	.	S	Bend	trans	-94.8	-8.8	-179.2	-60.2	-173.4	0	0	0	113.2	F481 I484 A485 F490 F495 F496	F481-L493 HydrophobicContact CE1-CD2 4.38Å; F481-L493 HydrophobicContact CE2-CD1 4.35Å; F481-L493 HydrophobicContact CZ-CD1 4.15Å; F481-L493 HydrophobicContact CZ-CD2 3.84Å; I484-L493 HydrophobicContact CG2-CD1 4.42Å; A485-L493 HydrophobicContact CB-CB 4.47Å; A485-L493 WeakPolarHBondContact CB-O 3.42Å; F490-L493 HydrophobicContact CB-CB 4.34Å; F490-L493 HydrophobicContact CB-CD1 3.83Å; F490-L493 HydrophobicContact CB-CG 3.84Å; F490-L493 HydrophobicContact CD2-CD1 4.14Å; F490-L493 HydrophobicContact CG-CD1 4.2Å; F490-L493 WeakPolarHBondContact O-CB 3.12Å; F490-L493 PolarHBondContact O-N 2.76Å; L493-F495 PolarHBondContact O-N 3.28Å; L493-F496 HydrophobicContact CD2-CD2 4.38Å; L493-F496 HydrophobicContact CD2-CE2 4.44Å; L493-F496 WeakPolarHBondContact O-CB 3.49Å; L493-F496 PolarHBondContact O-N 3.11Å
494	D	82.8	Confident	82	Confident	48 Å²	48	65.6 Å²	65.6	26%	0.257	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-50.2	-27	177.2	-64.1	27.1	0	0	0	113.1	R488 P491 F496 E497	R488-D494 IonicContact NE-OD2 3.63Å; P491-D494 WeakPolarHBondContact CA-OD1 3.46Å; D494-F496 PolarHBondContact O-N 2.97Å; D494-F496 VanDerWaalsContact O-N 3.16Å; D494-E497 WeakPolarHBondContact O-CB 3.42Å; D494-E497 PolarHBondContact O-N 2.73Å; D494-E497 VanDerWaalsContact O-N 3.13Å
495	F	87.3	Confident	81.6	Confident	121 Å²	121	66.7 Å²	66.7	53%	0.531	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-55.1	-30	171.9	179.5	-101.2	0	0	0	113.8	L493 R508	L493-F495 PolarHBondContact O-N 3.28Å; F495-R508 HydrophobicContact CE1-CB 4.4Å; F495-R508 HydrophobicContact CE1-CG 4.29Å; F495-R508 WeakPolarHBondContact O-CD 3.21Å; F495-R508 PolarHBondContact O-NH1 3.26Å
496	F	88.6	Confident	81.6	Confident	31 Å²	31	67 Å²	67	14%	0.136	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-93.4	0.2	-177.9	-59	-80.7	0	0	0	113.9	F481 Q482 A485 L493 D494 V498 R508 A509 F512	F481-F496 HydrophobicContact CD1-CB 4.13Å; F481-F496 HydrophobicContact CD1-CD1 4.41Å; F481-F496 HydrophobicContact CD1-CD2 4.4Å; F481-F496 HydrophobicContact CD1-CG 4.07Å; F481-F496 HydrophobicContact CE1-CB 4.15Å; F481-F496 HydrophobicContact CE1-CD1 4.15Å; F481-F496 AromaticContact CE1-CD2 3.6Å; F481-F496 HydrophobicContact CE1-CD2 3.6Å; F481-F496 HydrophobicContact CE1-CE1 4.47Å; F481-F496 AromaticContact CE1-CE2 3.95Å; F481-F496 HydrophobicContact CE1-CE2 3.95Å; F481-F496 AromaticContact CE1-CG 3.7Å; F481-F496 HydrophobicContact CE1-CG 3.7Å; F481-F496 HydrophobicContact CE1-CZ 4.37Å; F481-F496 HydrophobicContact CZ-CD2 4.49Å; Q482-F496 WeakPolarHBondContact CG-O 3.42Å; A485-F496 HydrophobicContact CB-CB 3.98Å; L493-F496 HydrophobicContact CD2-CD2 4.38Å; L493-F496 HydrophobicContact CD2-CE2 4.44Å; L493-F496 WeakPolarHBondContact O-CB 3.49Å; L493-F496 PolarHBondContact O-N 3.11Å; D494-F496 PolarHBondContact O-N 2.97Å; D494-F496 VanDerWaalsContact O-N 3.16Å; F496-V498 VanDerWaalsContact C-N 3.27Å; F496-V498 PolarHBondContact O-N 2.91Å; F496-R508 HydrophobicContact CD1-CB 3.9Å; F496-R508 HydrophobicContact CE1-CB 4.41Å; F496-A509 HydrophobicContact CD1-CB 4.39Å; F496-F512 HydrophobicContact CE1-CB 3.78Å; F496-F512 HydrophobicContact CE1-CG 4.12Å; F496-F512 HydrophobicContact CZ-CB 4.28Å; F496-F512 HydrophobicContact CZ-CD2 4.31Å; F496-F512 HydrophobicContact CZ-CG 4.15Å
497	E	83.9	Confident	81.6	Confident	53 Å²	53	67.5 Å²	67.5	25%	0.248	34%	0.337	C	S	.	.			trans	-61.3	-34.3	178.1	177.7	173.9	143.6	0	0	112.7	A485 K486 R488 D494 G499	A485-E497 HydrophobicContact CB-CB 4.34Å; K486-E497 HydrophobicContact CB-CG 4.45Å; K486-E497 WeakPolarHBondContact CE-O 3.42Å; K486-E497 HydrophobicContact CG-CG 3.78Å; R488-E497 IonicContact CZ-OE1 2.98Å; R488-E497 IonicContact CZ-OE2 2.81Å; R488-E497 IonicContact NE-OE1 2.73Å; R488-E497 IonicContact NE-OE2 3.85Å; R488-E497 PolarHBondContact NE-OE2 3.38Å; R488-E497 VanDerWaalsContact NH2-CD 3.28Å; R488-E497 IonicContact NH2-OE1 3.32Å; R488-E497 PolarHBondContact NH2-OE1 2.81Å; R488-E497 IonicContact NH2-OE2 3.77Å; R488-E497 PolarHBondContact NH2-OE2 3.31Å; D494-E497 WeakPolarHBondContact O-CB 3.42Å; D494-E497 PolarHBondContact O-N 2.73Å; D494-E497 VanDerWaalsContact O-N 3.13Å; E497-G499 PolarHBondContact O-N 3Å
498	V	85.2	Confident	81.9	Confident	61 Å²	61	69.8 Å²	69.8	37%	0.37	34%	0.344	S	S	.	.			trans	-66	116.9	-168.9	-172.7	0	0	0	0	112	F496 Y500	F496-V498 VanDerWaalsContact C-N 3.27Å; F496-V498 PolarHBondContact O-N 2.91Å; V498-Y500 HydrophobicContact CB-CE2 4.12Å; V498-Y500 HydrophobicContact CG1-CD2 4.25Å; V498-Y500 HydrophobicContact CG1-CE1 4.43Å; V498-Y500 HydrophobicContact CG1-CE2 3.68Å
499	G	82.3	Confident	82.2	Confident	21 Å²	21	65.8 Å²	65.8	22%	0.216	33%	0.329	C	S	.	.			trans	-99	136.1	170.1	0	0	0	0	0	112.2	E497 H504	E497-G499 PolarHBondContact O-N 3Å; G499-H504 VanDerWaalsContact CA-O 3.26Å; G499-H504 WeakPolarHBondContact CA-O 3.45Å
500	Y	81.8	Confident	82.6	Confident	77 Å²	77	66.3 Å²	66.3	30%	0.302	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-107.3	144.9	-174.6	-66.3	-99.6	0	0	0	111.9	V498 H504 E505 R507 R508	V498-Y500 HydrophobicContact CB-CE2 4.12Å; V498-Y500 HydrophobicContact CG1-CD2 4.25Å; V498-Y500 HydrophobicContact CG1-CE1 4.43Å; V498-Y500 HydrophobicContact CG1-CE2 3.68Å; Y500-H504 CarbonylContact O-C 3.57Å; Y500-E505 PolarHBondContact N-O 3.43Å; Y500-E505 PolarHBondContact O-N 3.15Å; Y500-R507 HydrophobicContact CD2-CB 3.84Å; Y500-R507 HydrophobicContact CD2-CG 4.06Å; Y500-R507 HydrophobicContact CE2-CB 4.22Å; Y500-R507 HydrophobicContact CG-CB 4.41Å; Y500-R507 HydrophobicContact CG-CG 4.21Å; Y500-R508 HydrophobicContact CE2-CG 4.23Å; Y500-R508 PolarHBondContact OH-NE 3.05Å; Y500-R508 PolarHBondContact OH-NH2 3.32Å
501	G	74.5	Confident	82.9	Confident	60 Å²	60	69.3 Å²	69.3	62%	0.619	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	-176.8	178.8	0	0	0	0	0	114.4	N503 H504	G501-N503 PolarHBondContact O-N 3.29Å; G501-H504 PolarHBondContact O-N 2.79Å; G501-H504 VanDerWaalsContact O-N 3.15Å
502	Q	67.9	Low	83.5	Confident	187 Å²	187	69.7 Å²	69.7	87%	0.874	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.9	-174.3	-63.2	-179.2	9.6	0	0	113.4
503	N	66.9	Low	83.9	Confident	90 Å²	90	61 Å²	61	48%	0.481	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	9.6	180	-59.9	-25.2	0	0	0	113.3	G501 E505	G501-N503 PolarHBondContact O-N 3.29Å; N503-E505 VanDerWaalsContact C-N 3.31Å; N503-E505 HydrophobicContact CB-CG 3.91Å; N503-E505 PolarHBondContact O-N 2.71Å
504	H	76.2	Confident	84.2	Confident	120 Å²	120	61.1 Å²	61.1	56%	0.556	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	41.9	-176.6	-66.9	-67.4	0	0	0	114.7	Q482 G499 Y500 G501	Q482-H504 PolarHBondContact NE2-O 3.46Å; G499-H504 VanDerWaalsContact CA-O 3.26Å; G499-H504 WeakPolarHBondContact CA-O 3.45Å; Y500-H504 CarbonylContact O-C 3.57Å; G501-H504 PolarHBondContact O-N 2.79Å; G501-H504 VanDerWaalsContact O-N 3.15Å
505	E	79.5	Confident	84.8	Confident	23 Å²	23	63.7 Å²	63.7	11%	0.107	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-66.1	136.3	-169.8	-62.4	-176.1	152.1	0	0	113	G295 V296 Y500 N503 R507	G295-E505 WeakPolarHBondContact CA-OE1 3.43Å; V296-E505 PolarHBondContact N-OE1 3.2Å; Y500-E505 PolarHBondContact N-O 3.43Å; Y500-E505 PolarHBondContact O-N 3.15Å; N503-E505 VanDerWaalsContact C-N 3.31Å; N503-E505 HydrophobicContact CB-CG 3.91Å; N503-E505 PolarHBondContact O-N 2.71Å; E505-R507 VanDerWaalsContact C-N 3.28Å; E505-R507 PolarHBondContact O-N 3.26Å
506	P	87.1	Confident	85.1	Confident	8 Å²	8	60.5 Å²	60.5	5%	0.052	31%	0.306	C	S	.	.			trans	-84.5	54.4	-167.5	36	-39.2	0	0	0	113.5	P478 K479 Q482 R508 A509 I510	P478-P506 HydrophobicContact CB-CB 4.39Å; P478-P506 HydrophobicContact CB-CG 3.79Å; K479-P506 HydrophobicContact CG-CG 4.24Å; Q482-P506 HydrophobicContact CB-CB 3.64Å; Q482-P506 HydrophobicContact CG-CB 3.9Å; P506-R508 VanDerWaalsContact C-N 3.26Å; P506-R508 PolarHBondContact O-N 2.82Å; P506-A509 HydrophobicContact CB-CB 4.18Å; P506-A509 WeakPolarHBondContact O-CA 3.44Å; P506-A509 PolarHBondContact O-N 3.15Å; P506-I510 HydrophobicContact CG-CD1 4.11Å; P506-I510 HydrophobicContact CG-CG1 4.15Å; P506-I510 WeakPolarHBondContact O-CG1 3.47Å; P506-I510 PolarHBondContact O-N 3.26Å
507	R	86.8	Confident	85.3	Confident	101 Å²	101	59.1 Å²	59.1	38%	0.381	30%	0.3	S	S	.	.	H	α-helix	trans	-48.5	-40.3	-172.8	-66.3	-176.8	176.4	-171.1	-4.3	114.6	F293 Y500 E505 I510 I511	F293-R507 HydrophobicContact CD1-CG 4.32Å; F293-R507 HydrophobicContact CE1-CB 3.97Å; F293-R507 HydrophobicContact CE1-CG 3.76Å; F293-R507 HydrophobicContact CZ-CB 4.32Å; Y500-R507 HydrophobicContact CD2-CB 3.84Å; Y500-R507 HydrophobicContact CD2-CG 4.06Å; Y500-R507 HydrophobicContact CE2-CB 4.22Å; Y500-R507 HydrophobicContact CG-CB 4.41Å; Y500-R507 HydrophobicContact CG-CG 4.21Å; E505-R507 VanDerWaalsContact C-N 3.28Å; E505-R507 PolarHBondContact O-N 3.26Å; R507-I510 PolarHBondContact O-N 2.79Å; R507-I511 WeakPolarHBondContact O-CG1 3.39Å; R507-I511 PolarHBondContact O-N 3.14Å; R507-I511 VanDerWaalsContact O-N 3.15Å
508	R	90.4	Very high	85.8	Confident	75 Å²	75	58.5 Å²	58.5	28%	0.283	30%	0.298	S	S	.	.	H	α-helix	trans	-66.5	-40.3	177.2	-67.7	178.1	-179	-174.4	-3	112.8	F495 F496 Y500 P506 F512	F495-R508 HydrophobicContact CE1-CB 4.4Å; F495-R508 HydrophobicContact CE1-CG 4.29Å; F495-R508 WeakPolarHBondContact O-CD 3.21Å; F495-R508 PolarHBondContact O-NH1 3.26Å; F496-R508 HydrophobicContact CD1-CB 3.9Å; F496-R508 HydrophobicContact CE1-CB 4.41Å; Y500-R508 HydrophobicContact CE2-CG 4.23Å; Y500-R508 PolarHBondContact OH-NE 3.05Å; Y500-R508 PolarHBondContact OH-NH2 3.32Å; P506-R508 VanDerWaalsContact C-N 3.26Å; P506-R508 PolarHBondContact O-N 2.82Å; R508-F512 PolarHBondContact O-N 2.91Å
509	A	90.3	Very high	86.2	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.008	31%	0.307	C	S	.	.	H	α-helix	trans	-73.4	-34.8	177.5	0	0	0	0	0	111.4	P478 F481 F496 P506 I511 F512 T513	P478-A509 HydrophobicContact CB-CB 3.99Å; F481-A509 HydrophobicContact CB-CB 4.25Å; F481-A509 HydrophobicContact CD1-CB 4.05Å; F496-A509 HydrophobicContact CD1-CB 4.39Å; P506-A509 HydrophobicContact CB-CB 4.18Å; P506-A509 WeakPolarHBondContact O-CA 3.44Å; P506-A509 PolarHBondContact O-N 3.15Å; A509-I511 PolarHBondContact O-N 3.49Å; A509-F512 PolarHBondContact O-N 2.73Å; A509-T513 WeakPolarHBondContact O-CG2 3.32Å; A509-T513 PolarHBondContact O-N 2.81Å; A509-T513 PolarHBondContact O-OG1 3.36Å
510	I	90.4	Very high	86.8	Confident	12 Å²	12	59 Å²	59	6%	0.062	30%	0.303	C	S	.	.	H	α-helix	trans	-58.4	-47.3	174	-66.7	164.4	0	0	0	110.7	L289 V292 F293 P478 P506 R507 F512 T513 F514	L289-I510 HydrophobicContact CD1-CG2 3.57Å; V292-I510 HydrophobicContact CG1-CD1 4.05Å; V292-I510 HydrophobicContact CG1-CG1 4.38Å; V292-I510 HydrophobicContact CG1-CG2 4.11Å; F293-I510 HydrophobicContact CD2-CG2 4.18Å; F293-I510 HydrophobicContact CE2-CG2 3.81Å; P478-I510 HydrophobicContact CB-CB 4.39Å; P478-I510 HydrophobicContact CB-CG1 3.55Å; P478-I510 HydrophobicContact CG-CB 4.29Å; P478-I510 HydrophobicContact CG-CG1 3.76Å; P506-I510 HydrophobicContact CG-CD1 4.11Å; P506-I510 HydrophobicContact CG-CG1 4.15Å; P506-I510 WeakPolarHBondContact O-CG1 3.47Å; P506-I510 PolarHBondContact O-N 3.26Å; R507-I510 PolarHBondContact O-N 2.79Å; I510-F512 VanDerWaalsContact C-N 3.34Å; I510-F512 PolarHBondContact O-N 3.42Å; I510-T513 PolarHBondContact O-OG1 2.82Å; I510-F514 VanDerWaalsContact O-CB 3.22Å; I510-F514 WeakPolarHBondContact O-CB 3.41Å; I510-F514 PolarHBondContact O-N 3.4Å
511	I	92.2	Very high	87.3	Confident	81 Å²	81	55.3 Å²	55.3	42%	0.415	29%	0.288	S	S	.	.	H	α-helix	trans	-62.2	-42.5	175.7	-65.4	164.6	0	0	0	110.9	F293 R507 A509 F514 I515	F293-I511 HydrophobicContact CE2-CG1 4.16Å; F293-I511 HydrophobicContact CZ-CD1 4.06Å; F293-I511 HydrophobicContact CZ-CG1 3.85Å; R507-I511 WeakPolarHBondContact O-CG1 3.39Å; R507-I511 PolarHBondContact O-N 3.14Å; R507-I511 VanDerWaalsContact O-N 3.15Å; A509-I511 PolarHBondContact O-N 3.49Å; I511-F514 PolarHBondContact O-N 3.13Å; I511-I515 HydrophobicContact CG2-CD1 3.99Å; I511-I515 WeakPolarHBondContact O-CG1 3.48Å; I511-I515 PolarHBondContact O-N 3.47Å
512	F	91.8	Very high	88.2	Confident	72 Å²	72	53.6 Å²	53.6	32%	0.316	27%	0.271	S	S	.	.	H	α-helix	trans	-64.7	-46.9	179.8	176.4	-110	0	0	0	112.9	F481 F496 R508 A509 I510 F514 I515 L516	F481-F512 HydrophobicContact CD1-CD1 4.4Å; F481-F512 AromaticContact CE1-CD1 3.94Å; F481-F512 HydrophobicContact CE1-CD1 3.94Å; F481-F512 HydrophobicContact CE1-CE1 4.05Å; F481-F512 HydrophobicContact CE2-CE1 4.17Å; F481-F512 HydrophobicContact CZ-CD1 4.1Å; F481-F512 AromaticContact CZ-CE1 3.72Å; F481-F512 HydrophobicContact CZ-CE1 3.72Å; F496-F512 HydrophobicContact CE1-CB 3.78Å; F496-F512 HydrophobicContact CE1-CG 4.12Å; F496-F512 HydrophobicContact CZ-CB 4.28Å; F496-F512 HydrophobicContact CZ-CD2 4.31Å; F496-F512 HydrophobicContact CZ-CG 4.15Å; R508-F512 PolarHBondContact O-N 2.91Å; A509-F512 PolarHBondContact O-N 2.73Å; I510-F512 VanDerWaalsContact C-N 3.34Å; I510-F512 PolarHBondContact O-N 3.42Å; F512-F514 VanDerWaalsContact C-N 3.32Å; F512-F514 PolarHBondContact O-N 2.93Å; F512-I515 PolarHBondContact O-N 3.37Å; F512-L516 HydrophobicContact CD1-CD1 4.29Å; F512-L516 HydrophobicContact CE1-CD1 3.74Å; F512-L516 HydrophobicContact CE2-CD1 4.36Å; F512-L516 HydrophobicContact CZ-CD1 3.78Å; F512-L516 HydrophobicContact CZ-CG 4.43Å; F512-L516 WeakPolarHBondContact O-CG 3.22Å; F512-L516 PolarHBondContact O-N 3.05Å
513	T	91	Very high	89.3	Confident	8 Å²	8	48.1 Å²	48.1	5%	0.049	25%	0.247	C	C	.	.	H	α-helix	trans	-64.9	-37.3	175.3	54.6	0	0	0	0	111.7	V244 P478 A509 I510 I515 L516 T517	V244-T513 HydrophobicContact CG2-CG2 3.68Å; P478-T513 HydrophobicContact CG-CG2 3.86Å; P478-T513 VanDerWaalsContact CG-OG1 3.23Å; P478-T513 WeakPolarHBondContact CG-OG1 3.49Å; A509-T513 WeakPolarHBondContact O-CG2 3.32Å; A509-T513 PolarHBondContact O-N 2.81Å; A509-T513 PolarHBondContact O-OG1 3.36Å; I510-T513 PolarHBondContact O-OG1 2.82Å; T513-I515 PolarHBondContact O-N 3.47Å; T513-L516 PolarHBondContact O-N 3.38Å; T513-T517 PolarHBondContact O-N 3.22Å; T513-T517 PolarHBondContact O-OG1 3.46Å
514	F	92.5	Very high	90.2	Very high	33 Å²	33	44.1 Å²	44.1	15%	0.145	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-45.8	176	172	-101.9	0	0	0	111.9	A285 L289 I510 I511 F512 L516 T517 M518	A285-F514 HydrophobicContact CB-CE2 4.01Å; A285-F514 WeakPolarHBondContact O-CE2 3.43Å; L289-F514 HydrophobicContact CB-CD2 3.96Å; L289-F514 HydrophobicContact CB-CE2 4.04Å; L289-F514 HydrophobicContact CD1-CB 3.84Å; L289-F514 HydrophobicContact CD1-CD2 4.01Å; L289-F514 HydrophobicContact CD1-CG 3.88Å; L289-F514 HydrophobicContact CD2-CD1 3.73Å; L289-F514 HydrophobicContact CD2-CD2 3.9Å; L289-F514 HydrophobicContact CD2-CE1 3.81Å; L289-F514 HydrophobicContact CD2-CE2 3.98Å; L289-F514 HydrophobicContact CD2-CG 3.77Å; L289-F514 HydrophobicContact CD2-CZ 3.93Å; L289-F514 HydrophobicContact CG-CD2 4.17Å; L289-F514 HydrophobicContact CG-CE2 4.49Å; L289-F514 HydrophobicContact CG-CG 4.28Å; I510-F514 VanDerWaalsContact O-CB 3.22Å; I510-F514 WeakPolarHBondContact O-CB 3.41Å; I510-F514 PolarHBondContact O-N 3.4Å; I511-F514 PolarHBondContact O-N 3.13Å; F512-F514 VanDerWaalsContact C-N 3.32Å; F512-F514 PolarHBondContact O-N 2.93Å; F514-L516 VanDerWaalsContact C-N 3.29Å; F514-L516 PolarHBondContact O-N 3.34Å; F514-T517 PolarHBondContact O-N 3.43Å; F514-M518 HydrophobicContact CD1-CG 4.18Å; F514-M518 HydrophobicContact CD2-CG 4.1Å; F514-M518 HydrophobicContact CE1-CG 3.75Å; F514-M518 HydrophobicContact CE1-SD 4.45Å; F514-M518 HydrophobicContact CE2-CG 3.65Å; F514-M518 HydrophobicContact CE2-SD 3.74Å; F514-M518 HydrophobicContact CG-CG 4.35Å; F514-M518 HydrophobicContact CZ-CE 4.15Å; F514-M518 HydrophobicContact CZ-CG 3.47Å; F514-M518 VanDerWaalsContact CZ-CG 3.47Å; F514-M518 HydrophobicContact CZ-SD 3.63Å; F514-M518 WeakPolarHBondContact O-CB 3.43Å; F514-M518 VanDerWaalsContact O-CG 3.24Å; F514-M518 WeakPolarHBondContact O-CG 3.36Å; F514-M518 PolarHBondContact O-N 3Å
515	I	94.6	Very high	90.7	Very high	103 Å²	103	41.6 Å²	41.6	53%	0.528	22%	0.217	S	C	.	.	H	α-helix	trans	-58.2	-42.4	175.6	-68.6	163.4	0	0	0	111	I511 F512 T513 M518 A519	I511-I515 HydrophobicContact CG2-CD1 3.99Å; I511-I515 WeakPolarHBondContact O-CG1 3.48Å; I511-I515 PolarHBondContact O-N 3.47Å; F512-I515 PolarHBondContact O-N 3.37Å; T513-I515 PolarHBondContact O-N 3.47Å; I515-M518 PolarHBondContact O-N 2.94Å; I515-A519 PolarHBondContact O-N 3.17Å; I515-A519 VanDerWaalsContact O-N 3.11Å
516	L	93.7	Very high	91	Very high	54 Å²	54	40.7 Å²	40.7	28%	0.283	21%	0.213	S	C	.	.	H	α-helix	trans	-67.9	-40.7	176.8	-63.3	174.5	0	0	0	112.5	V244 F512 T513 F514 A519 L520	V244-L516 HydrophobicContact CG1-CB 3.5Å; V244-L516 VanDerWaalsContact CG1-CB 3.5Å; V244-L516 HydrophobicContact CG1-CD1 4.41Å; V244-L516 HydrophobicContact CG2-CD1 4.49Å; F512-L516 HydrophobicContact CD1-CD1 4.29Å; F512-L516 HydrophobicContact CE1-CD1 3.74Å; F512-L516 HydrophobicContact CE2-CD1 4.36Å; F512-L516 HydrophobicContact CZ-CD1 3.78Å; F512-L516 HydrophobicContact CZ-CG 4.43Å; F512-L516 WeakPolarHBondContact O-CG 3.22Å; F512-L516 PolarHBondContact O-N 3.05Å; T513-L516 PolarHBondContact O-N 3.38Å; F514-L516 VanDerWaalsContact C-N 3.29Å; F514-L516 PolarHBondContact O-N 3.34Å; L516-A519 PolarHBondContact O-N 3.03Å; L516-L520 WeakPolarHBondContact O-CG 3.38Å; L516-L520 PolarHBondContact O-N 2.96Å; L516-L520 VanDerWaalsContact O-N 3.11Å
517	T	93.5	Very high	90.8	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.012	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-42.3	175.2	-64.4	0	0	0	0	111.2	V244 A247 A248 M474 T513 F514 A519 L520 V521	V244-T517 PolarHBondContact O-OG1 2.99Å; A247-T517 HydrophobicContact CB-CG2 3.95Å; A248-T517 HydrophobicContact CB-CG2 4.17Å; M474-T517 HydrophobicContact CE-CG2 4.04Å; T513-T517 PolarHBondContact O-N 3.22Å; T513-T517 PolarHBondContact O-OG1 3.46Å; F514-T517 PolarHBondContact O-N 3.43Å; T517-A519 VanDerWaalsContact C-N 3.32Å; T517-A519 PolarHBondContact O-N 3.16Å; T517-L520 PolarHBondContact O-N 2.87Å; T517-V521 HydrophobicContact CG2-CG2 4.26Å; T517-V521 VanDerWaalsContact O-CG2 3.32Å; T517-V521 WeakPolarHBondContact O-CG2 3.47Å; T517-V521 PolarHBondContact O-N 2.72Å
518	M	93.6	Very high	90.6	Very high	40 Å²	40	40 Å²	40	20%	0.197	23%	0.225	C	C	.	.	H	α-helix	trans	-61.2	-38.8	175.8	-71.2	-70.2	-74.8	0	0	112.5	W282 A285 F514 I515 G522	W282-M518 HydrophobicContact CB-CE 3.71Å; W282-M518 HydrophobicContact CB-SD 4.34Å; W282-M518 HydrophobicContact CD2-CE 4.43Å; W282-M518 HydrophobicContact CG-CE 3.57Å; W282-M518 HydrophobicContact CG-SD 4.24Å; W282-M518 PolarHBondContact NE1-O 2.91Å; A285-M518 HydrophobicContact CB-SD 3.7Å; F514-M518 HydrophobicContact CD1-CG 4.18Å; F514-M518 HydrophobicContact CD2-CG 4.1Å; F514-M518 HydrophobicContact CE1-CG 3.75Å; F514-M518 HydrophobicContact CE1-SD 4.45Å; F514-M518 HydrophobicContact CE2-CG 3.65Å; F514-M518 HydrophobicContact CE2-SD 3.74Å; F514-M518 HydrophobicContact CG-CG 4.35Å; F514-M518 HydrophobicContact CZ-CE 4.15Å; F514-M518 HydrophobicContact CZ-CG 3.47Å; F514-M518 VanDerWaalsContact CZ-CG 3.47Å; F514-M518 HydrophobicContact CZ-SD 3.63Å; F514-M518 WeakPolarHBondContact O-CB 3.43Å; F514-M518 VanDerWaalsContact O-CG 3.24Å; F514-M518 WeakPolarHBondContact O-CG 3.36Å; F514-M518 PolarHBondContact O-N 3Å; I515-M518 PolarHBondContact O-N 2.94Å; M518-G522 PolarHBondContact O-N 3.33Å
519	A	94.3	Very high	90.5	Very high	69 Å²	69	36.5 Å²	36.5	57%	0.57	21%	0.211	S	C	*	.	H	α-helix	trans	-65.6	-39.2	175.4	0	0	0	0	0	112.4	I515 L516 T517 G522	I515-A519 PolarHBondContact O-N 3.17Å; I515-A519 VanDerWaalsContact O-N 3.11Å; L516-A519 PolarHBondContact O-N 3.03Å; T517-A519 VanDerWaalsContact C-N 3.32Å; T517-A519 PolarHBondContact O-N 3.16Å; A519-G522 PolarHBondContact O-N 2.83Å
520	L	93.3	Very high	90.2	Very high	22 Å²	22	36.5 Å²	36.5	12%	0.115	21%	0.211	C	C	.	.	H	α-helix	trans	-71.9	-41.5	175.9	-68.9	171.8	0	0	0	112.5	V244 T245 A248 L516 T517 G522 I523 I529 M532	V244-L520 HydrophobicContact CG1-CD1 3.93Å; T245-L520 HydrophobicContact CG2-CD1 3.6Å; A248-L520 HydrophobicContact CB-CB 3.53Å; A248-L520 HydrophobicContact CB-CD1 4.08Å; A248-L520 HydrophobicContact CB-CG 4.49Å; L516-L520 WeakPolarHBondContact O-CG 3.38Å; L516-L520 PolarHBondContact O-N 2.96Å; L516-L520 VanDerWaalsContact O-N 3.11Å; T517-L520 PolarHBondContact O-N 2.87Å; L520-G522 PolarHBondContact O-N 3Å; L520-I523 HydrophobicContact CD2-CD1 4.17Å; L520-I523 VanDerWaalsContact O-CB 3.31Å; L520-I523 WeakPolarHBondContact O-CB 3.32Å; L520-I523 WeakPolarHBondContact O-CG1 3.21Å; L520-I523 PolarHBondContact O-N 2.75Å; L520-I529 WeakPolarHBondContact O-CD1 3.24Å; L520-M532 HydrophobicContact CD2-CE 4.12Å; L520-M532 HydrophobicContact CD2-SD 3.96Å
521	V	93.6	Very high	89.9	Confident	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.9	-32.2	173.2	169.4	0	0	0	0	111	A248 V251 T517 I523 G524	A248-V521 HydrophobicContact CB-CG2 4.12Å; V251-V521 HydrophobicContact CB-CG2 4.35Å; V251-V521 HydrophobicContact CG1-CG2 4.1Å; T517-V521 HydrophobicContact CG2-CG2 4.26Å; T517-V521 VanDerWaalsContact O-CG2 3.32Å; T517-V521 WeakPolarHBondContact O-CG2 3.47Å; T517-V521 PolarHBondContact O-N 2.72Å; V521-I523 PolarHBondContact O-N 3.33Å; V521-I523 VanDerWaalsContact O-N 3.12Å; V521-G524 PolarHBondContact O-N 3.22Å
522	G	92.4	Very high	89.7	Confident	24 Å²	24	37.7 Å²	37.7	25%	0.247	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-17.2	173.5	0	0	0	0	0	115.4	R278 M518 A519 L520	R278-G522 PolarHBondContact NE-O 3.14Å; M518-G522 PolarHBondContact O-N 3.33Å; A519-G522 PolarHBondContact O-N 2.83Å; L520-G522 PolarHBondContact O-N 3Å
523	I	91.5	Very high	89.7	Confident	73 Å²	73	34.4 Å²	34.4	37%	0.374	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-41	172.7	-62	169.8	0	0	0	110.1	R278 L520 V521 D525 A528 I529	R278-I523 PolarHBondContact NE-O 3.16Å; R278-I523 PolarHBondContact NH2-O 3Å; L520-I523 HydrophobicContact CD2-CD1 4.17Å; L520-I523 VanDerWaalsContact O-CB 3.31Å; L520-I523 WeakPolarHBondContact O-CB 3.32Å; L520-I523 WeakPolarHBondContact O-CG1 3.21Å; L520-I523 PolarHBondContact O-N 2.75Å; V521-I523 PolarHBondContact O-N 3.33Å; V521-I523 VanDerWaalsContact O-N 3.12Å; I523-D525 VanDerWaalsContact C-N 3.33Å; I523-D525 PolarHBondContact O-N 3.4Å; I523-A528 HydrophobicContact CG2-CB 4.14Å; I523-I529 HydrophobicContact CB-CD1 4.3Å; I523-I529 HydrophobicContact CB-CG1 4.41Å; I523-I529 HydrophobicContact CD1-CD1 4.44Å; I523-I529 HydrophobicContact CD1-CG1 4Å; I523-I529 HydrophobicContact CG2-CG1 4.42Å
524	G	85.8	Confident	89.7	Confident	5 Å²	5	34 Å²	34	5%	0.052	20%	0.203	C	C	.	.			trans	79.2	2.3	175.2	0	0	0	0	0	116.4	V521	V521-G524 PolarHBondContact O-N 3.22Å
525	D	86.1	Confident	89.6	Confident	68 Å²	68	33 Å²	33	36%	0.364	20%	0.199	S	C	.	.			trans	-127.7	128.1	177.2	171.9	29	0	0	0	111.7	I523 N527 A528 I529	I523-D525 VanDerWaalsContact C-N 3.33Å; I523-D525 PolarHBondContact O-N 3.4Å; D525-N527 PolarHBondContact OD1-N 3.49Å; D525-A528 HydrophobicContact CB-CB 4.21Å; D525-A528 VanDerWaalsContact OD2-CB 3.32Å; D525-A528 WeakPolarHBondContact OD2-CB 3.24Å; D525-A528 PolarHBondContact OD2-N 3.05Å; D525-I529 WeakPolarHBondContact O-CD1 3.48Å; D525-I529 WeakPolarHBondContact O-CG1 3.36Å
526	I	85.3	Confident	89.5	Confident	3 Å²	3	29.3 Å²	29.3	2%	0.015	18%	0.179	C	C	.	.	H	α-helix	trans	-66.8	-40.1	177.3	-67.2	-174.2	0	0	0	110.8	V169 I249 L252 E256 I529 A530	V169-I526 HydrophobicContact CG1-CD1 4.38Å; I249-I526 HydrophobicContact CD1-CG2 4.02Å; I249-I526 HydrophobicContact CG1-CG2 3.9Å; L252-I526 HydrophobicContact CB-CG1 4.12Å; L252-I526 HydrophobicContact CD2-CB 4.43Å; L252-I526 HydrophobicContact CD2-CG1 3.65Å; L252-I526 HydrophobicContact CG-CG1 3.73Å; E256-I526 WeakPolarHBondContact OE2-CD1 3.14Å; I526-I529 PolarHBondContact O-N 3.09Å; I526-I529 VanDerWaalsContact O-N 3.16Å; I526-A530 PolarHBondContact O-N 3.3Å
527	N	83	Confident	89.4	Confident	39 Å²	39	27.1 Å²	27.1	21%	0.209	17%	0.167	C	C	.	.	H	α-helix	trans	-71.9	-35.2	-171.4	-63.3	-11	0	0	0	110.8	D525 P531	D525-N527 PolarHBondContact OD1-N 3.49Å; N527-P531 WeakPolarHBondContact O-CD 3.47Å
528	A	84.2	Confident	89.4	Confident	57 Å²	57	27 Å²	27	47%	0.471	17%	0.166	S	C	.	.	H	α-helix	trans	-65.1	-33.2	169.7	0	0	0	0	0	114.2	I523 D525	I523-A528 HydrophobicContact CG2-CB 4.14Å; D525-A528 HydrophobicContact CB-CB 4.21Å; D525-A528 VanDerWaalsContact OD2-CB 3.32Å; D525-A528 WeakPolarHBondContact OD2-CB 3.24Å; D525-A528 PolarHBondContact OD2-N 3.05Å
529	I	86.5	Confident	89.4	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-83	-33.2	-178	-62.9	171.1	0	0	0	111.6	I249 L252 L520 I523 D525 I526 M532 I533	I249-I529 HydrophobicContact CB-CG2 4.31Å; L252-I529 HydrophobicContact CD2-CD1 3.8Å; L520-I529 WeakPolarHBondContact O-CD1 3.24Å; I523-I529 HydrophobicContact CB-CD1 4.3Å; I523-I529 HydrophobicContact CB-CG1 4.41Å; I523-I529 HydrophobicContact CD1-CD1 4.44Å; I523-I529 HydrophobicContact CD1-CG1 4Å; I523-I529 HydrophobicContact CG2-CG1 4.42Å; D525-I529 WeakPolarHBondContact O-CD1 3.48Å; D525-I529 WeakPolarHBondContact O-CG1 3.36Å; I526-I529 PolarHBondContact O-N 3.09Å; I526-I529 VanDerWaalsContact O-N 3.16Å; I529-M532 WeakPolarHBondContact O-CB 3.43Å; I529-M532 PolarHBondContact O-N 3.05Å; I529-I533 PolarHBondContact O-N 3.17Å
530	A	84.9	Confident	89.3	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.008	13%	0.132	C	C	.	.	H	α-helix	trans	-56.2	-42.9	-173.2	0	0	0	0	0	114.9	I249 I361 P364 I526 M532 I533 S534	I249-A530 HydrophobicContact CD1-CB 4.02Å; I361-A530 HydrophobicContact CG1-CB 4.29Å; P364-A530 HydrophobicContact CG-CB 4.41Å; I526-A530 PolarHBondContact O-N 3.3Å; A530-M532 VanDerWaalsContact C-N 3.28Å; A530-M532 PolarHBondContact O-N 2.92Å; A530-I533 WeakPolarHBondContact O-CG2 3.22Å; A530-I533 PolarHBondContact O-N 3.31Å; A530-S534 WeakPolarHBondContact O-CB 3.5Å; A530-S534 PolarHBondContact O-N 3.23Å; A530-S534 PolarHBondContact O-OG 3.45Å; A530-S534 VanDerWaalsContact O-OG 3.11Å
531	P	84.1	Confident	89.3	Confident	40 Å²	40	21.1 Å²	21.1	26%	0.26	13%	0.127	S	C	.	.	H	α-helix	trans	-62.4	-32	174.4	-24.9	35.1	0	0	0	113.8	A360 N527 N535	A360-P531 HydrophobicContact CB-CG 4.39Å; N527-P531 WeakPolarHBondContact O-CD 3.47Å; P531-N535 VanDerWaalsContact O-CB 3.29Å; P531-N535 WeakPolarHBondContact O-CB 3.25Å; P531-N535 PolarHBondContact O-N 3.35Å
532	M	87.8	Confident	89.4	Confident	78 Å²	78	21.8 Å²	21.8	38%	0.384	13%	0.132	S	C	.	.	H	α-helix	trans	-70.1	-44.7	-179.1	-175.2	179.2	-176.9	0	0	111.7	T245 L520 I529 A530 F536	T245-M532 HydrophobicContact CG2-CE 4.35Å; T245-M532 HydrophobicContact CG2-CG 4.23Å; T245-M532 HydrophobicContact CG2-SD 4.24Å; L520-M532 HydrophobicContact CD2-CE 4.12Å; L520-M532 HydrophobicContact CD2-SD 3.96Å; I529-M532 WeakPolarHBondContact O-CB 3.43Å; I529-M532 PolarHBondContact O-N 3.05Å; A530-M532 VanDerWaalsContact C-N 3.28Å; A530-M532 PolarHBondContact O-N 2.92Å; M532-F536 HydrophobicContact CE-CE2 3.66Å; M532-F536 HydrophobicContact CE-CZ 4.11Å; M532-F536 HydrophobicContact CG-CD2 4.13Å; M532-F536 HydrophobicContact CG-CE2 3.66Å; M532-F536 WeakPolarHBondContact O-CD2 3.37Å; M532-F536 PolarHBondContact O-N 3.43Å; M532-F536 HydrophobicContact SD-CE2 4.44Å
533	I	91	Very high	89.4	Confident	3 Å²	3	22.4 Å²	22.4	2%	0.015	13%	0.13	C	C	.	.	H	α-helix	trans	-65.4	-44.6	174.1	177.2	168.1	0	0	0	111.1	T245 A246 I249 P364 I529 A530 N535 F536 F537	T245-I533 WeakPolarHBondContact OG1-CB 3.19Å; A246-I533 VanDerWaalsContact CA-CD1 3.45Å; A246-I533 HydrophobicContact CB-CD1 3.69Å; I249-I533 HydrophobicContact CD1-CG2 4.27Å; I249-I533 HydrophobicContact CG2-CD1 4.14Å; P364-I533 HydrophobicContact CB-CD1 4.09Å; P364-I533 HydrophobicContact CB-CG1 4.37Å; P364-I533 HydrophobicContact CB-CG2 3.98Å; P364-I533 HydrophobicContact CG-CG2 3.63Å; I529-I533 PolarHBondContact O-N 3.17Å; A530-I533 WeakPolarHBondContact O-CG2 3.22Å; A530-I533 PolarHBondContact O-N 3.31Å; I533-N535 VanDerWaalsContact C-N 3.33Å; I533-N535 PolarHBondContact O-N 3.05Å; I533-F536 PolarHBondContact O-N 3.36Å; I533-F537 HydrophobicContact CD1-CD2 4.24Å; I533-F537 HydrophobicContact CD1-CE2 3.85Å; I533-F537 HydrophobicContact CG1-CD2 3.53Å; I533-F537 HydrophobicContact CG1-CE2 3.62Å; I533-F537 WeakPolarHBondContact O-CD2 3.39Å; I533-F537 PolarHBondContact O-N 3.05Å
534	S	91.5	Very high	89.4	Confident	0 Å²	0	19 Å²	19	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-57.4	-44.9	177.6	-67.6	0	0	0	0	112.1	A360 P364 A530 M538	A360-S534 PolarHBondContact O-OG 3.15Å; P364-S534 WeakPolarHBondContact CD-OG 3.38Å; P364-S534 WeakPolarHBondContact CG-OG 3.46Å; A530-S534 WeakPolarHBondContact O-CB 3.5Å; A530-S534 PolarHBondContact O-N 3.23Å; A530-S534 PolarHBondContact O-OG 3.45Å; A530-S534 VanDerWaalsContact O-OG 3.11Å; S534-M538 VanDerWaalsContact O-CB 3.31Å; S534-M538 WeakPolarHBondContact O-CB 3.37Å; S534-M538 VanDerWaalsContact O-CG 3.26Å; S534-M538 WeakPolarHBondContact O-CG 3.49Å; S534-M538 PolarHBondContact O-N 2.66Å
535	N	91.3	Very high	89.9	Confident	12 Å²	12	18.7 Å²	18.7	6%	0.064	11%	0.11	C	C	.	.	H	α-helix	trans	-60.6	-47.8	175.6	-174.9	6.8	0	0	0	112.9	P531 I533 F537 M538 A539 M582 A589 T593	P531-N535 VanDerWaalsContact O-CB 3.29Å; P531-N535 WeakPolarHBondContact O-CB 3.25Å; P531-N535 PolarHBondContact O-N 3.35Å; I533-N535 VanDerWaalsContact C-N 3.33Å; I533-N535 PolarHBondContact O-N 3.05Å; N535-F537 PolarHBondContact O-N 3.23Å; N535-M538 PolarHBondContact O-N 2.82Å; N535-A539 VanDerWaalsContact O-CB 3.31Å; N535-A539 WeakPolarHBondContact O-CB 3.22Å; N535-A539 PolarHBondContact O-N 3.42Å; N535-M582 VanDerWaalsContact OD1-CG 3.27Å; N535-M582 WeakPolarHBondContact OD1-CG 3.49Å; N535-M582 PolarHBondContact OD1-SD 3.12Å; N535-M582 VanDerWaalsContact OD1-SD 3.32Å; N535-A589 WeakPolarHBondContact ND2-CB 3.44Å; N535-A589 PolarHBondContact ND2-O 3.46Å; N535-T593 WeakPolarHBondContact ND2-CG2 3.4Å; N535-T593 PolarHBondContact ND2-OG1 2.94Å; N535-T593 WeakPolarHBondContact OD1-CG2 3.31Å; N535-T593 PolarHBondContact OD1-OG1 3.48Å
536	F	92.3	Very high	90.2	Very high	25 Å²	25	20.7 Å²	20.7	11%	0.11	11%	0.113	C	C	.	.	H	α-helix	trans	-65.6	-39.7	179.4	-71.6	-51.6	0	0	0	113.8	I238 L241 T245 M532 I533 T540 T593	I238-F536 HydrophobicContact CG2-CD1 4.18Å; L241-F536 HydrophobicContact CB-CD2 4.46Å; L241-F536 HydrophobicContact CB-CE1 4.46Å; L241-F536 HydrophobicContact CB-CE2 4.38Å; L241-F536 HydrophobicContact CB-CZ 4.38Å; L241-F536 HydrophobicContact CD1-CE1 4.29Å; L241-F536 HydrophobicContact CD1-CZ 4.43Å; T245-F536 HydrophobicContact CG2-CD2 4.09Å; T245-F536 HydrophobicContact CG2-CE2 4.12Å; M532-F536 HydrophobicContact CE-CE2 3.66Å; M532-F536 HydrophobicContact CE-CZ 4.11Å; M532-F536 HydrophobicContact CG-CD2 4.13Å; M532-F536 HydrophobicContact CG-CE2 3.66Å; M532-F536 WeakPolarHBondContact O-CD2 3.37Å; M532-F536 PolarHBondContact O-N 3.43Å; M532-F536 HydrophobicContact SD-CE2 4.44Å; I533-F536 PolarHBondContact O-N 3.36Å; F536-T540 WeakPolarHBondContact O-CB 3.31Å; F536-T540 PolarHBondContact O-N 3.37Å; F536-T540 PolarHBondContact O-OG1 3.11Å; F536-T593 HydrophobicContact CD1-CG2 4.03Å; F536-T593 HydrophobicContact CE1-CG2 3.87Å
537	F	92.2	Very high	90.4	Very high	7 Å²	7	20.6 Å²	20.6	3%	0.031	11%	0.112	C	C	.	.	H	α-helix	trans	-72	-41.1	176.6	-83.6	-89.1	0	0	0	111.8	F239 G242 A246 F363 A367 I533 N535 A539 T540 Y541	F239-F537 HydrophobicContact CD2-CE1 4.17Å; F239-F537 HydrophobicContact CE2-CD1 4.44Å; F239-F537 AromaticContact CE2-CE1 3.77Å; F239-F537 HydrophobicContact CE2-CE1 3.77Å; F239-F537 HydrophobicContact CE2-CZ 4.45Å; G242-F537 VanDerWaalsContact C-CE2 3.47Å; G242-F537 VanDerWaalsContact O-CE2 3.22Å; G242-F537 WeakPolarHBondContact O-CE2 3.41Å; A246-F537 HydrophobicContact CB-CE2 4.34Å; A246-F537 HydrophobicContact CB-CZ 4.49Å; F363-F537 HydrophobicContact CE1-CB 3.95Å; A367-F537 HydrophobicContact CB-CB 4.2Å; A367-F537 HydrophobicContact CB-CD1 3.83Å; A367-F537 HydrophobicContact CB-CD2 3.93Å; A367-F537 HydrophobicContact CB-CE1 4.04Å; A367-F537 HydrophobicContact CB-CE2 4.16Å; A367-F537 HydrophobicContact CB-CG 3.74Å; A367-F537 HydrophobicContact CB-CZ 4.22Å; A367-F537 WeakPolarHBondContact O-CE1 3.3Å; I533-F537 HydrophobicContact CD1-CD2 4.24Å; I533-F537 HydrophobicContact CD1-CE2 3.85Å; I533-F537 HydrophobicContact CG1-CD2 3.53Å; I533-F537 HydrophobicContact CG1-CE2 3.62Å; I533-F537 WeakPolarHBondContact O-CD2 3.39Å; I533-F537 PolarHBondContact O-N 3.05Å; N535-F537 PolarHBondContact O-N 3.23Å; F537-A539 PolarHBondContact O-N 3.46Å; F537-T540 WeakPolarHBondContact O-CB 3.39Å; F537-T540 PolarHBondContact O-N 3.15Å; F537-Y541 HydrophobicContact CB-CE2 4.4Å; F537-Y541 AromaticContact CD1-CE1 3.94Å; F537-Y541 HydrophobicContact CD1-CE1 3.94Å; F537-Y541 AromaticContact CD1-CZ 3.81Å; F537-Y541 WeakPolarHBondContact CD1-OH 3.35Å; F537-Y541 WeakPolarHBondContact O-CB 3.47Å; F537-Y541 VanDerWaalsContact O-CD1 3.31Å; F537-Y541 WeakPolarHBondContact O-CD1 3.01Å; F537-Y541 PolarHBondContact O-N 3.24Å
538	M	93.2	Very high	90.8	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60.6	-42.1	173.1	-73.9	-172.8	-178.6	0	0	112.3	F363 S534 N535 T540 Y541 A542 L581 M582 I585	F363-M538 HydrophobicContact CB-CE 4.33Å; F363-M538 HydrophobicContact CD1-CE 3.99Å; F363-M538 HydrophobicContact CD1-CG 4.34Å; F363-M538 HydrophobicContact CD2-CE 3.41Å; F363-M538 VanDerWaalsContact CD2-CE 3.41Å; F363-M538 HydrophobicContact CE1-CE 4.09Å; F363-M538 HydrophobicContact CE1-CG 3.66Å; F363-M538 HydrophobicContact CE2-CE 3.54Å; F363-M538 HydrophobicContact CE2-CG 4.1Å; F363-M538 HydrophobicContact CG-CE 3.64Å; F363-M538 HydrophobicContact CZ-CE 3.88Å; F363-M538 HydrophobicContact CZ-CG 3.51Å; S534-M538 VanDerWaalsContact O-CB 3.31Å; S534-M538 WeakPolarHBondContact O-CB 3.37Å; S534-M538 VanDerWaalsContact O-CG 3.26Å; S534-M538 WeakPolarHBondContact O-CG 3.49Å; S534-M538 PolarHBondContact O-N 2.66Å; N535-M538 PolarHBondContact O-N 2.82Å; M538-T540 PolarHBondContact O-N 3.16Å; M538-Y541 PolarHBondContact O-N 2.93Å; M538-A542 VanDerWaalsContact O-CB 3.32Å; M538-A542 WeakPolarHBondContact O-CB 3.3Å; M538-A542 PolarHBondContact O-N 2.88Å; M538-L581 HydrophobicContact CE-CB 3.88Å; M538-L581 HydrophobicContact CE-CD1 4.21Å; M538-L581 HydrophobicContact SD-CB 3.72Å; M538-M582 HydrophobicContact CB-CB 4.26Å; M538-M582 HydrophobicContact CB-CG 4.33Å; M538-M582 HydrophobicContact CB-SD 4.49Å; M538-M582 HydrophobicContact SD-CB 4.33Å; M538-I585 HydrophobicContact CE-CD1 3.47Å; M538-I585 VanDerWaalsContact CE-CD1 3.47Å; M538-I585 HydrophobicContact SD-CD1 3.88Å
539	A	92.9	Very high	91.2	Very high	6 Å²	6	17.2 Å²	17.2	5%	0.05	9%	0.085	C	C	.	.	H	α-helix	trans	-61.4	-43.1	173.6	0	0	0	0	0	112.1	I238 N535 F537 Y541 A542 L543 M582	I238-A539 HydrophobicContact CG2-CB 4.15Å; N535-A539 VanDerWaalsContact O-CB 3.31Å; N535-A539 WeakPolarHBondContact O-CB 3.22Å; N535-A539 PolarHBondContact O-N 3.42Å; F537-A539 PolarHBondContact O-N 3.46Å; A539-Y541 PolarHBondContact O-N 3.44Å; A539-A542 PolarHBondContact O-N 3.45Å; A539-L543 WeakPolarHBondContact O-CG 3.34Å; A539-L543 PolarHBondContact O-N 2.9Å; A539-M582 HydrophobicContact CB-SD 3.82Å
540	T	92.7	Very high	91.3	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-59.4	-46.5	174.9	-61	0	0	0	0	111.1	I235 F239 F536 F537 M538 L543 I544	I235-T540 HydrophobicContact CG2-CG2 4.26Å; F239-T540 HydrophobicContact CB-CG2 3.75Å; F239-T540 HydrophobicContact CD2-CG2 4.03Å; F239-T540 HydrophobicContact CG-CG2 3.92Å; F536-T540 WeakPolarHBondContact O-CB 3.31Å; F536-T540 PolarHBondContact O-N 3.37Å; F536-T540 PolarHBondContact O-OG1 3.11Å; F537-T540 WeakPolarHBondContact O-CB 3.39Å; F537-T540 PolarHBondContact O-N 3.15Å; M538-T540 PolarHBondContact O-N 3.16Å; T540-L543 PolarHBondContact O-N 3.12Å; T540-I544 HydrophobicContact CG2-CD1 3.85Å; T540-I544 VanDerWaalsContact O-CG1 3.29Å; T540-I544 WeakPolarHBondContact O-CG1 3.27Å; T540-I544 PolarHBondContact O-N 2.86Å
541	Y	93.8	Very high	91.3	Very high	1 Å²	1	18.6 Å²	18.6	0%	0.004	9%	0.093	C	C	.	.	H	α-helix	trans	-69.7	-40.8	-178.3	-62.4	-9.1	0	0	0	111.9	V197 T201 F363 A367 F369 M370 F537 M538 A539 L543 I544 N545	V197-Y541 HydrophobicContact CG1-CD2 4.09Å; T201-Y541 HydrophobicContact CG2-CD1 3.8Å; T201-Y541 HydrophobicContact CG2-CE1 4.49Å; T201-Y541 HydrophobicContact CG2-CG 3.84Å; F363-Y541 HydrophobicContact CE1-CE2 4.41Å; F363-Y541 AromaticContact CZ-CD2 3.96Å; F363-Y541 HydrophobicContact CZ-CD2 3.96Å; F363-Y541 AromaticContact CZ-CE2 3.83Å; F363-Y541 HydrophobicContact CZ-CE2 3.83Å; A367-Y541 WeakPolarHBondContact CA-OH 3.37Å; A367-Y541 PolarHBondContact O-OH 2.92Å; F369-Y541 HydrophobicContact CE1-CE1 4.26Å; F369-Y541 AromaticContact CE1-CE2 3.75Å; F369-Y541 HydrophobicContact CE1-CE2 3.75Å; F369-Y541 AromaticContact CE1-CZ 3.53Å; F369-Y541 VanDerWaalsContact CE1-OH 3.3Å; F369-Y541 WeakPolarHBondContact CE1-OH 3.33Å; F369-Y541 HydrophobicContact CZ-CE1 4.06Å; F369-Y541 HydrophobicContact CZ-CE2 4.22Å; F369-Y541 AromaticContact CZ-CZ 3.8Å; M370-Y541 HydrophobicContact CG-CE1 4.37Å; M370-Y541 HydrophobicContact SD-CD1 4.13Å; M370-Y541 HydrophobicContact SD-CE1 3.54Å; M370-Y541 VanDerWaalsContact SD-CE1 3.54Å; F537-Y541 HydrophobicContact CB-CE2 4.4Å; F537-Y541 AromaticContact CD1-CE1 3.94Å; F537-Y541 HydrophobicContact CD1-CE1 3.94Å; F537-Y541 AromaticContact CD1-CZ 3.81Å; F537-Y541 WeakPolarHBondContact CD1-OH 3.35Å; F537-Y541 WeakPolarHBondContact O-CB 3.47Å; F537-Y541 VanDerWaalsContact O-CD1 3.31Å; F537-Y541 WeakPolarHBondContact O-CD1 3.01Å; F537-Y541 PolarHBondContact O-N 3.24Å; M538-Y541 PolarHBondContact O-N 2.93Å; A539-Y541 PolarHBondContact O-N 3.44Å; Y541-L543 VanDerWaalsContact C-N 3.34Å; Y541-L543 PolarHBondContact O-N 2.94Å; Y541-I544 PolarHBondContact O-N 3.13Å; Y541-N545 VanDerWaalsContact O-CB 3.23Å; Y541-N545 WeakPolarHBondContact O-CB 3.16Å; Y541-N545 VanDerWaalsContact O-CG 3.26Å; Y541-N545 PolarHBondContact O-N 3Å; Y541-N545 PolarHBondContact O-ND2 2.73Å
542	A	94	Very high	91.6	Very high	14 Å²	14	18 Å²	18	12%	0.116	9%	0.09	C	C	.	.	H	α-helix	trans	-56.8	-47	173.2	0	0	0	0	0	111.4	M538 A539 Y546 C578	M538-A542 VanDerWaalsContact O-CB 3.32Å; M538-A542 WeakPolarHBondContact O-CB 3.3Å; M538-A542 PolarHBondContact O-N 2.88Å; A539-A542 PolarHBondContact O-N 3.45Å; A542-Y546 VanDerWaalsContact O-CB 3.26Å; A542-Y546 WeakPolarHBondContact O-CB 3.36Å; A542-Y546 PolarHBondContact O-N 3.47Å; A542-C578 HydrophobicContact CB-CB 3.74Å
543	L	92.9	Very high	91.5	Very high	38 Å²	38	19.9 Å²	19.9	20%	0.199	10%	0.096	C	C	.	.	H	α-helix	trans	-67.8	-42.2	179.1	-70.9	171.7	0	0	0	113	I235 I238 A539 T540 Y541 Y546 A547 A597	I235-L543 HydrophobicContact CD1-CB 4Å; I235-L543 HydrophobicContact CG1-CB 3.59Å; I235-L543 HydrophobicContact CG1-CD1 4.12Å; I235-L543 HydrophobicContact CG1-CG 4.48Å; I238-L543 HydrophobicContact CD1-CD1 3.71Å; A539-L543 WeakPolarHBondContact O-CG 3.34Å; A539-L543 PolarHBondContact O-N 2.9Å; T540-L543 PolarHBondContact O-N 3.12Å; Y541-L543 VanDerWaalsContact C-N 3.34Å; Y541-L543 PolarHBondContact O-N 2.94Å; L543-Y546 PolarHBondContact O-N 3.45Å; L543-A547 WeakPolarHBondContact O-CB 3.43Å; L543-A547 PolarHBondContact O-N 3.13Å; L543-A597 HydrophobicContact CD1-CB 4.29Å
544	I	92.7	Very high	91	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-59.5	-48.4	175.4	-72.5	170	0	0	0	110.5	T201 I208 I223 I235 M370 T540 Y541 C548	T201-I544 HydrophobicContact CG2-CG2 4.33Å; I208-I544 HydrophobicContact CD1-CG2 4.04Å; I223-I544 HydrophobicContact CD1-CD1 4.01Å; I223-I544 HydrophobicContact CD1-CG1 3.86Å; I235-I544 HydrophobicContact CD1-CG1 4.17Å; I235-I544 HydrophobicContact CG2-CD1 4.36Å; I235-I544 HydrophobicContact CG2-CG1 4.04Å; M370-I544 HydrophobicContact CE-CD1 3.76Å; M370-I544 HydrophobicContact SD-CD1 4.05Å; T540-I544 HydrophobicContact CG2-CD1 3.85Å; T540-I544 VanDerWaalsContact O-CG1 3.29Å; T540-I544 WeakPolarHBondContact O-CG1 3.27Å; T540-I544 PolarHBondContact O-N 2.86Å; Y541-I544 PolarHBondContact O-N 3.13Å; I544-C548 VanDerWaalsContact O-CB 3.26Å; I544-C548 WeakPolarHBondContact O-CB 3.26Å; I544-C548 PolarHBondContact O-N 3.18Å
545	N	94.9	Very high	90.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-64.6	-44.9	-179.6	-77.2	-37.9	0	0	0	111.8	T201 S204 Y541 C548 F549 S571 A575	T201-N545 WeakPolarHBondContact CA-OD1 3.46Å; T201-N545 PolarHBondContact OG1-ND2 3.38Å; S204-N545 WeakPolarHBondContact CB-OD1 3.41Å; S204-N545 PolarHBondContact OG-OD1 2.74Å; Y541-N545 VanDerWaalsContact O-CB 3.23Å; Y541-N545 WeakPolarHBondContact O-CB 3.16Å; Y541-N545 VanDerWaalsContact O-CG 3.26Å; Y541-N545 PolarHBondContact O-N 3Å; Y541-N545 PolarHBondContact O-ND2 2.73Å; N545-C548 PolarHBondContact O-N 3.16Å; N545-F549 PolarHBondContact O-N 2.93Å; N545-F549 VanDerWaalsContact O-N 3.11Å; N545-S571 WeakPolarHBondContact CB-O 3.36Å; N545-S571 WeakPolarHBondContact O-CB 3.37Å; N545-A575 HydrophobicContact CB-CB 3.77Å
546	Y	93.2	Very high	89.4	Confident	109 Å²	109	26.2 Å²	26.2	43%	0.427	13%	0.129	S	C	.	.	H	α-helix	trans	-66.9	-45.5	178.8	178.7	-105.9	0	0	0	112.8	F231 A542 L543 C548 F549 D550	F231-Y546 AromaticContact CE1-CD1 3.92Å; F231-Y546 HydrophobicContact CE1-CD1 3.92Å; F231-Y546 HydrophobicContact CE1-CE1 4.16Å; F231-Y546 HydrophobicContact CZ-CD1 4.08Å; F231-Y546 AromaticContact CZ-CE1 3.96Å; F231-Y546 HydrophobicContact CZ-CE1 3.96Å; A542-Y546 VanDerWaalsContact O-CB 3.26Å; A542-Y546 WeakPolarHBondContact O-CB 3.36Å; A542-Y546 PolarHBondContact O-N 3.47Å; L543-Y546 PolarHBondContact O-N 3.45Å; Y546-C548 VanDerWaalsContact C-N 3.3Å; Y546-C548 PolarHBondContact O-N 2.95Å; Y546-F549 HydrophobicContact CD2-CD1 4.48Å; Y546-F549 HydrophobicContact CE2-CD1 4.45Å; Y546-F549 WeakPolarHBondContact O-CB 3.22Å; Y546-F549 PolarHBondContact O-N 2.94Å; Y546-F549 VanDerWaalsContact O-N 3.09Å; Y546-D550 PolarHBondContact O-N 2.97Å
547	A	90.1	Very high	88.4	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.008	15%	0.152	C	C	.	.	H	α-helix	trans	-62.4	-39.3	177.8	0	0	0	0	0	111.6	L227 F231 L543 F549 D550 A551	L227-A547 HydrophobicContact CB-CB 4.28Å; L227-A547 HydrophobicContact CD1-CB 3.45Å; L227-A547 VanDerWaalsContact CD1-CB 3.45Å; L227-A547 HydrophobicContact CD2-CB 4.18Å; L227-A547 WeakPolarHBondContact CD2-O 3.12Å; L227-A547 HydrophobicContact CG-CB 4.16Å; F231-A547 HydrophobicContact CB-CB 4.18Å; F231-A547 HydrophobicContact CD1-CB 3.66Å; F231-A547 HydrophobicContact CD2-CB 4.02Å; F231-A547 HydrophobicContact CE1-CB 3.97Å; F231-A547 HydrophobicContact CE2-CB 4.3Å; F231-A547 HydrophobicContact CG-CB 3.69Å; F231-A547 HydrophobicContact CZ-CB 4.28Å; L543-A547 WeakPolarHBondContact O-CB 3.43Å; L543-A547 PolarHBondContact O-N 3.13Å; A547-F549 VanDerWaalsContact C-N 3.3Å; A547-F549 PolarHBondContact O-N 2.89Å; A547-D550 PolarHBondContact O-N 2.96Å; A547-A551 WeakPolarHBondContact O-CB 3.36Å; A547-A551 PolarHBondContact O-N 3.05Å
548	C	91	Very high	87.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.8	-36	174.2	-162.3	0	0	0	0	112.4	I208 I544 N545 Y546 S552 Y566	I208-C548 HydrophobicContact CD1-CB 4.31Å; I544-C548 VanDerWaalsContact O-CB 3.26Å; I544-C548 WeakPolarHBondContact O-CB 3.26Å; I544-C548 PolarHBondContact O-N 3.18Å; N545-C548 PolarHBondContact O-N 3.16Å; Y546-C548 VanDerWaalsContact C-N 3.3Å; Y546-C548 PolarHBondContact O-N 2.95Å; C548-S552 PolarHBondContact O-N 2.94Å; C548-S552 PolarHBondContact O-OG 3.45Å; C548-Y566 PolarHBondContact O-OH 2.8Å; C548-Y566 WeakPolarHBondContact SG-CE2 3.49Å; C548-Y566 PolarHBondContact SG-OH 3.31Å; C548-Y566 VanDerWaalsContact SG-OH 3.4Å
549	F	92.7	Very high	86.9	Confident	25 Å²	25	32.6 Å²	32.6	11%	0.11	18%	0.182	C	C	.	.	H	α-helix	trans	-67.4	-47.1	172.3	164.9	-98.2	0	0	0	112.1	N545 Y546 A547 S552 F553 K568 W569 L572	N545-F549 PolarHBondContact O-N 2.93Å; N545-F549 VanDerWaalsContact O-N 3.11Å; Y546-F549 HydrophobicContact CD2-CD1 4.48Å; Y546-F549 HydrophobicContact CE2-CD1 4.45Å; Y546-F549 WeakPolarHBondContact O-CB 3.22Å; Y546-F549 PolarHBondContact O-N 2.94Å; Y546-F549 VanDerWaalsContact O-N 3.09Å; A547-F549 VanDerWaalsContact C-N 3.3Å; A547-F549 PolarHBondContact O-N 2.89Å; F549-S552 WeakPolarHBondContact O-CB 3.38Å; F549-S552 PolarHBondContact O-N 3.21Å; F549-F553 HydrophobicContact CE1-CB 4.49Å; F549-F553 HydrophobicContact CZ-CB 4.39Å; F549-F553 HydrophobicContact CZ-CD2 4.13Å; F549-F553 HydrophobicContact CZ-CG 4.37Å; F549-F553 WeakPolarHBondContact O-CB 3.41Å; F549-F553 PolarHBondContact O-N 2.91Å; F549-K568 HydrophobicContact CD2-CB 4.05Å; F549-K568 HydrophobicContact CD2-CG 4.48Å; F549-K568 WeakPolarHBondContact CD2-O 3.48Å; F549-W569 HydrophobicContact CE2-CE3 4.05Å; F549-W569 AromaticContact CE2-CZ3 3.94Å; F549-W569 HydrophobicContact CE2-CZ3 3.94Å; F549-W569 HydrophobicContact CZ-CZ3 4.35Å; F549-L572 HydrophobicContact CB-CB 4.46Å; F549-L572 HydrophobicContact CD1-CD1 3.96Å; F549-L572 HydrophobicContact CD2-CB 3.81Å; F549-L572 HydrophobicContact CD2-CD1 4.5Å; F549-L572 HydrophobicContact CD2-CD2 4.4Å; F549-L572 HydrophobicContact CD2-CG 4.46Å; F549-L572 HydrophobicContact CE1-CD1 4.08Å; F549-L572 HydrophobicContact CE1-CD2 4.48Å; F549-L572 HydrophobicContact CE2-CB 4.18Å; F549-L572 HydrophobicContact CE2-CD2 3.94Å; F549-L572 HydrophobicContact CE2-CG 4.47Å; F549-L572 HydrophobicContact CG-CB 4.06Å; F549-L572 HydrophobicContact CG-CD1 4.18Å; F549-L572 HydrophobicContact CZ-CD1 4.39Å; F549-L572 HydrophobicContact CZ-CD2 3.98Å
550	D	87.7	Confident	86.6	Confident	25 Å²	25	40.9 Å²	40.9	13%	0.134	21%	0.212	C	C	.	.	H	α-helix	trans	-64	-40.8	-178.8	-178.7	59.5	0	0	0	112.8	Y546 A547 S552 F553 S554 S616	Y546-D550 PolarHBondContact O-N 2.97Å; A547-D550 PolarHBondContact O-N 2.96Å; D550-S552 VanDerWaalsContact C-N 3.33Å; D550-S552 PolarHBondContact O-N 3.05Å; D550-F553 PolarHBondContact O-N 3.07Å; D550-F553 VanDerWaalsContact O-N 3.16Å; D550-S554 WeakPolarHBondContact O-CB 3.48Å; D550-S554 PolarHBondContact O-N 3.39Å; D550-S554 PolarHBondContact O-OG 3.47Å; D550-S616 WeakPolarHBondContact OD2-CB 3.33Å; D550-S616 PolarHBondContact OD2-OG 3.3Å
551	A	85.8	Confident	86.3	Confident	6 Å²	6	42.4 Å²	42.4	5%	0.05	22%	0.222	C	C	.	.	H	α-helix	trans	-61.9	-38.9	174.6	0	0	0	0	0	112.4	L227 A547 S554 F559	L227-A551 HydrophobicContact CD2-CB 3.71Å; A547-A551 WeakPolarHBondContact O-CB 3.36Å; A547-A551 PolarHBondContact O-N 3.05Å; A551-S554 PolarHBondContact O-OG 3.15Å; A551-S554 VanDerWaalsContact O-OG 3.09Å; A551-F559 HydrophobicContact CB-CB 4.08Å; A551-F559 HydrophobicContact CB-CD1 3.94Å; A551-F559 HydrophobicContact CB-CD2 3.51Å; A551-F559 HydrophobicContact CB-CE1 4.32Å; A551-F559 HydrophobicContact CB-CE2 3.94Å; A551-F559 HydrophobicContact CB-CG 3.55Å; A551-F559 HydrophobicContact CB-CZ 4.33Å
552	S	89.2	Confident	86	Confident	27 Å²	27	47.2 Å²	47.2	19%	0.189	26%	0.256	C	S	.	.	H	α-helix	trans	-70.6	-35.8	171.2	-76.9	0	0	0	0	113.8	C548 F549 D550 Q555 F559 Y566	C548-S552 PolarHBondContact O-N 2.94Å; C548-S552 PolarHBondContact O-OG 3.45Å; F549-S552 WeakPolarHBondContact O-CB 3.38Å; F549-S552 PolarHBondContact O-N 3.21Å; D550-S552 VanDerWaalsContact C-N 3.33Å; D550-S552 PolarHBondContact O-N 3.05Å; S552-Q555 PolarHBondContact O-N 3.28Å; S552-F559 VanDerWaalsContact OG-CE1 3.25Å; S552-F559 WeakPolarHBondContact OG-CE1 3.5Å; S552-Y566 WeakPolarHBondContact OG-CE1 3.23Å; S552-Y566 PolarHBondContact OG-OH 3.49Å
553	F	87.2	Confident	85.7	Confident	118 Å²	118	48.1 Å²	48.1	52%	0.518	26%	0.257	S	S	.	.	H	α-helix	trans	-73.1	-39.4	-176.7	-175	-97.6	0	0	0	112	F549 D550 Q555	F549-F553 HydrophobicContact CE1-CB 4.49Å; F549-F553 HydrophobicContact CZ-CB 4.39Å; F549-F553 HydrophobicContact CZ-CD2 4.13Å; F549-F553 HydrophobicContact CZ-CG 4.37Å; F549-F553 WeakPolarHBondContact O-CB 3.41Å; F549-F553 PolarHBondContact O-N 2.91Å; D550-F553 PolarHBondContact O-N 3.07Å; D550-F553 VanDerWaalsContact O-N 3.16Å; F553-Q555 PolarHBondContact O-N 3.38Å
554	S	79.5	Confident	85.5	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.007	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-9.7	175.5	56.9	0	0	0	0	114.5	D550 A551 A556 N620	D550-S554 WeakPolarHBondContact O-CB 3.48Å; D550-S554 PolarHBondContact O-N 3.39Å; D550-S554 PolarHBondContact O-OG 3.47Å; A551-S554 PolarHBondContact O-OG 3.15Å; A551-S554 VanDerWaalsContact O-OG 3.09Å; S554-A556 PolarHBondContact O-N 2.91Å; S554-N620 VanDerWaalsContact CA-OD1 3.26Å; S554-N620 WeakPolarHBondContact CA-OD1 3.46Å; S554-N620 WeakPolarHBondContact CB-ND2 3.21Å; S554-N620 VanDerWaalsContact CB-OD1 3.22Å; S554-N620 WeakPolarHBondContact CB-OD1 3.34Å
555	Q	79.2	Confident	85.4	Confident	129 Å²	129	62.3 Å²	62.3	60%	0.603	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.6	33.9	-174.4	-54.1	-176.2	-61.9	0	0	112.1	S552 F553 L623	S552-Q555 PolarHBondContact O-N 3.28Å; F553-Q555 PolarHBondContact O-N 3.38Å; Q555-L623 HydrophobicContact CB-CD2 4.48Å
556	A	70.8	Confident	85.3	Confident	18 Å²	18	63.9 Å²	63.9	15%	0.149	32%	0.324	C	S	.	.			trans	-57	125.4	-177.2	0	0	0	0	0	110	S554 G558 F559 A619	S554-A556 PolarHBondContact O-N 2.91Å; A556-G558 PolarHBondContact O-N 3.04Å; A556-F559 HydrophobicContact CB-CB 4.3Å; A556-F559 PolarHBondContact O-N 3.31Å; A556-A619 HydrophobicContact CB-CB 4.43Å
557	P	70.6	Confident	85.3	Confident	93 Å²	93	62.1 Å²	62.1	60%	0.604	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-14.2	-172.8	25.9	-35	0	0	0	113.5	R560	P557-R560 VanDerWaalsContact O-CZ 3.28Å; P557-R560 PolarHBondContact O-NE 3.46Å; P557-R560 PolarHBondContact O-NH2 3.18Å
558	G	74.5	Confident	85.4	Confident	57 Å²	57	65.5 Å²	65.5	59%	0.588	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-2.5	170.8	0	0	0	0	0	115	N211 A556	N211-G558 PolarHBondContact ND2-O 3.07Å; N211-G558 PolarHBondContact OD1-O 3.32Å; A556-G558 PolarHBondContact O-N 3.04Å
559	F	80.6	Confident	85.6	Confident	16 Å²	16	72.2 Å²	72.2	7%	0.07	36%	0.362	C	S	.	.			trans	-111.5	92.7	176.8	-163	-93.7	0	0	0	110.9	I208 N211 T226 L227 A551 S552 A556 P561 Y566	I208-F559 HydrophobicContact CG1-CE2 4.49Å; N211-F559 WeakPolarHBondContact OD1-CA 3.25Å; T226-F559 HydrophobicContact CG2-CD2 3.44Å; T226-F559 VanDerWaalsContact CG2-CD2 3.44Å; T226-F559 HydrophobicContact CG2-CE2 3.42Å; T226-F559 VanDerWaalsContact CG2-CE2 3.42Å; L227-F559 HydrophobicContact CD2-CD2 4.41Å; L227-F559 HydrophobicContact CD2-CE2 4.09Å; A551-F559 HydrophobicContact CB-CB 4.08Å; A551-F559 HydrophobicContact CB-CD1 3.94Å; A551-F559 HydrophobicContact CB-CD2 3.51Å; A551-F559 HydrophobicContact CB-CE1 4.32Å; A551-F559 HydrophobicContact CB-CE2 3.94Å; A551-F559 HydrophobicContact CB-CG 3.55Å; A551-F559 HydrophobicContact CB-CZ 4.33Å; S552-F559 VanDerWaalsContact OG-CE1 3.25Å; S552-F559 WeakPolarHBondContact OG-CE1 3.5Å; A556-F559 HydrophobicContact CB-CB 4.3Å; A556-F559 PolarHBondContact O-N 3.31Å; F559-P561 HydrophobicContact CD1-CG 4.18Å; F559-P561 HydrophobicContact CE1-CB 4.38Å; F559-P561 HydrophobicContact CE1-CG 3.62Å; F559-P561 HydrophobicContact CZ-CB 4.48Å; F559-P561 HydrophobicContact CZ-CG 4.18Å; F559-Y566 HydrophobicContact CE1-CE1 4.31Å
560	R	86	Confident	85.7	Confident	181 Å²	181	73.7 Å²	73.7	68%	0.683	37%	0.37	S	S	*	.			trans	-130.5	67.9	-179.7	-55.4	-177.4	-158.9	-174.7	4.9	110.1	N211 P557 S562	N211-R560 PolarHBondContact OD1-N 2.98Å; P557-R560 VanDerWaalsContact O-CZ 3.28Å; P557-R560 PolarHBondContact O-NE 3.46Å; P557-R560 PolarHBondContact O-NH2 3.18Å; R560-S562 PolarHBondContact O-N 3.15Å
561	P	85.8	Confident	86	Confident	32 Å²	32	72.5 Å²	72.5	21%	0.208	36%	0.364	C	S	.	.			trans	-60.8	125.3	-179.1	26.9	-36	0	0	0	110.5	A207 F559 F563 Y566	A207-P561 HydrophobicContact CB-CB 3.7Å; A207-P561 HydrophobicContact CB-CG 4.49Å; A207-P561 WeakPolarHBondContact O-CB 3.36Å; F559-P561 HydrophobicContact CD1-CG 4.18Å; F559-P561 HydrophobicContact CE1-CB 4.38Å; F559-P561 HydrophobicContact CE1-CG 3.62Å; F559-P561 HydrophobicContact CZ-CB 4.48Å; F559-P561 HydrophobicContact CZ-CG 4.18Å; P561-F563 VanDerWaalsContact C-N 3.3Å; P561-Y566 HydrophobicContact CB-CD1 4.19Å; P561-Y566 HydrophobicContact CG-CD1 3.61Å; P561-Y566 HydrophobicContact CG-CE1 3.72Å; P561-Y566 HydrophobicContact CG-CG 4.46Å
562	S	86.8	Confident	86.4	Confident	102 Å²	102	74.9 Å²	74.9	71%	0.713	38%	0.375	S	S	*	.			trans	-86.4	-0.5	-179.9	-59	0	0	0	0	113.4	T210 R560 K564	T210-S562 PolarHBondContact O-N 3Å; T210-S562 PolarHBondContact OG1-N 2.98Å; R560-S562 PolarHBondContact O-N 3.15Å; S562-K564 PolarHBondContact O-N 2.71Å
563	F	88.5	Confident	86.7	Confident	33 Å²	33	78.2 Å²	78.2	15%	0.145	39%	0.391	C	S	.	.			trans	-76.4	113.4	-176	-171.4	-115.6	0	0	0	112.9	I203 T210 P387 L391 P561 F565 Y566	I203-F563 HydrophobicContact CG1-CE1 4.45Å; I203-F563 HydrophobicContact CG2-CD1 4.44Å; I203-F563 HydrophobicContact CG2-CE1 4.22Å; T210-F563 HydrophobicContact CG2-CB 4.39Å; T210-F563 WeakPolarHBondContact OG1-CB 3.41Å; T210-F563 PolarHBondContact OG1-N 3.27Å; P387-F563 HydrophobicContact CB-CD2 4.2Å; P387-F563 HydrophobicContact CB-CE2 3.82Å; L391-F563 HydrophobicContact CD1-CE1 4.3Å; L391-F563 HydrophobicContact CD1-CE2 4.41Å; L391-F563 HydrophobicContact CD1-CZ 3.59Å; P561-F563 VanDerWaalsContact C-N 3.3Å; F563-F565 VanDerWaalsContact C-N 3.3Å; F563-F565 HydrophobicContact CD1-CB 4.35Å; F563-F565 HydrophobicContact CE1-CB 3.74Å; F563-F565 HydrophobicContact CE1-CD2 4.35Å; F563-F565 HydrophobicContact CE2-CD2 4.41Å; F563-F565 HydrophobicContact CZ-CB 4.18Å; F563-F565 AromaticContact CZ-CD2 3.92Å; F563-F565 HydrophobicContact CZ-CD2 3.92Å; F563-F565 PolarHBondContact O-N 3.43Å; F563-F565 VanDerWaalsContact O-N 3.14Å; F563-Y566 VanDerWaalsContact O-CB 3.27Å; F563-Y566 WeakPolarHBondContact O-CB 3.22Å; F563-Y566 PolarHBondContact O-N 3.05Å
564	K	89.1	Confident	87.1	Confident	188 Å²	188	72.6 Å²	72.6	82%	0.817	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-32.7	-171.8	-172.8	178.8	179.1	-176.5	0	115.7	S562 Y566	S562-K564 PolarHBondContact O-N 2.71Å; K564-Y566 VanDerWaalsContact C-N 3.34Å
565	F	90.2	Very high	87.8	Confident	147 Å²	147	73 Å²	73	65%	0.645	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	5.6	-177.5	-59.3	-74.9	0	0	0	113.6	F563	F563-F565 VanDerWaalsContact C-N 3.3Å; F563-F565 HydrophobicContact CD1-CB 4.35Å; F563-F565 HydrophobicContact CE1-CB 3.74Å; F563-F565 HydrophobicContact CE1-CD2 4.35Å; F563-F565 HydrophobicContact CE2-CD2 4.41Å; F563-F565 HydrophobicContact CZ-CB 4.18Å; F563-F565 AromaticContact CZ-CD2 3.92Å; F563-F565 HydrophobicContact CZ-CD2 3.92Å; F563-F565 PolarHBondContact O-N 3.43Å; F563-F565 VanDerWaalsContact O-N 3.14Å
566	Y	92.7	Very high	88.6	Confident	33 Å²	33	69.6 Å²	69.6	13%	0.129	36%	0.363	C	S	.	.			trans	-78.6	136.5	177.3	175.4	-105.3	0	0	0	112.3	I203 A207 C548 S552 F559 P561 F563 K564 S571	I203-Y566 HydrophobicContact CG2-CD2 4.46Å; A207-Y566 HydrophobicContact CB-CD1 4.16Å; A207-Y566 HydrophobicContact CB-CD2 3.26Å; A207-Y566 HydrophobicContact CB-CE2 3.72Å; A207-Y566 HydrophobicContact CB-CG 3.5Å; A207-Y566 VanDerWaalsContact CB-CG 3.5Å; C548-Y566 PolarHBondContact O-OH 2.8Å; C548-Y566 WeakPolarHBondContact SG-CE2 3.49Å; C548-Y566 PolarHBondContact SG-OH 3.31Å; C548-Y566 VanDerWaalsContact SG-OH 3.4Å; S552-Y566 WeakPolarHBondContact OG-CE1 3.23Å; S552-Y566 PolarHBondContact OG-OH 3.49Å; F559-Y566 HydrophobicContact CE1-CE1 4.31Å; P561-Y566 HydrophobicContact CB-CD1 4.19Å; P561-Y566 HydrophobicContact CG-CD1 3.61Å; P561-Y566 HydrophobicContact CG-CE1 3.72Å; P561-Y566 HydrophobicContact CG-CG 4.46Å; F563-Y566 VanDerWaalsContact O-CB 3.27Å; F563-Y566 WeakPolarHBondContact O-CB 3.22Å; F563-Y566 PolarHBondContact O-N 3.05Å; K564-Y566 VanDerWaalsContact C-N 3.34Å; Y566-S571 VanDerWaalsContact CE2-OG 3.27Å; Y566-S571 WeakPolarHBondContact CE2-OG 3.49Å
567	N	93.6	Very high	89.7	Confident	73 Å²	73	70.7 Å²	70.7	39%	0.39	37%	0.366	S	S	.	.			trans	-145.3	132.7	167.5	178.3	-13.6	0	0	0	108.8	W569 I570 S571	N567-W569 PolarHBondContact O-N 2.94Å; N567-W569 VanDerWaalsContact O-N 3.13Å; N567-W569 PolarHBondContact OD1-N 3.39Å; N567-W569 VanDerWaalsContact OD1-N 3.08Å; N567-I570 HydrophobicContact CB-CB 4.44Å; N567-I570 HydrophobicContact CB-CD1 3.89Å; N567-I570 HydrophobicContact CB-CG1 3.98Å; N567-I570 WeakPolarHBondContact O-CB 3.34Å; N567-I570 PolarHBondContact O-N 2.87Å; N567-S571 PolarHBondContact O-N 2.94Å
568	K	92.7	Very high	90.9	Very high	71 Å²	71	66.2 Å²	66.2	31%	0.309	34%	0.337	S	S	.	.	H	α-helix	trans	-50.9	-37.6	179.4	67.9	-174.4	179.4	-177.2	0	113.4	F549 S571 L572	F549-K568 HydrophobicContact CD2-CB 4.05Å; F549-K568 HydrophobicContact CD2-CG 4.48Å; F549-K568 WeakPolarHBondContact CD2-O 3.48Å; K568-S571 PolarHBondContact O-N 3.48Å; K568-L572 PolarHBondContact O-N 2.94Å
569	W	95.2	Very high	91.7	Very high	142 Å²	142	68.2 Å²	68.2	54%	0.538	33%	0.33	S	S	.	.	H	α-helix	trans	-71.7	-30.1	-179.5	-61.7	119.6	0	0	0	113.1	F549 N567 L572 L573	F549-W569 HydrophobicContact CE2-CE3 4.05Å; F549-W569 AromaticContact CE2-CZ3 3.94Å; F549-W569 HydrophobicContact CE2-CZ3 3.94Å; F549-W569 HydrophobicContact CZ-CZ3 4.35Å; N567-W569 PolarHBondContact O-N 2.94Å; N567-W569 VanDerWaalsContact O-N 3.13Å; N567-W569 PolarHBondContact OD1-N 3.39Å; N567-W569 VanDerWaalsContact OD1-N 3.08Å; W569-L572 HydrophobicContact CE3-CD2 3.8Å; W569-L572 HydrophobicContact CZ3-CD2 3.78Å; W569-L572 PolarHBondContact O-N 2.79Å; W569-L573 WeakPolarHBondContact O-CB 3.46Å; W569-L573 PolarHBondContact O-N 2.91Å
570	I	93.8	Very high	92.3	Very high	55 Å²	55	69.6 Å²	69.6	28%	0.282	34%	0.344	S	S	.	.	H	α-helix	trans	-67.4	-40.3	174	-63.9	179.4	0	0	0	109.6	L200 N567 L573 G574	L200-I570 HydrophobicContact CD2-CG2 3.34Å; N567-I570 HydrophobicContact CB-CB 4.44Å; N567-I570 HydrophobicContact CB-CD1 3.89Å; N567-I570 HydrophobicContact CB-CG1 3.98Å; N567-I570 WeakPolarHBondContact O-CB 3.34Å; N567-I570 PolarHBondContact O-N 2.87Å; I570-L573 PolarHBondContact O-N 2.72Å; I570-G574 PolarHBondContact O-N 2.86Å
571	S	94	Very high	92.6	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.5	-42	172.2	-57.9	0	0	0	0	112.3	S204 N545 Y566 N567 K568 L573 G574 A575	S204-S571 WeakPolarHBondContact OG-CB 3.48Å; S204-S571 PolarHBondContact OG-OG 2.94Å; N545-S571 WeakPolarHBondContact CB-O 3.36Å; N545-S571 WeakPolarHBondContact O-CB 3.37Å; Y566-S571 VanDerWaalsContact CE2-OG 3.27Å; Y566-S571 WeakPolarHBondContact CE2-OG 3.49Å; N567-S571 PolarHBondContact O-N 2.94Å; K568-S571 PolarHBondContact O-N 3.48Å; S571-L573 VanDerWaalsContact C-N 3.33Å; S571-L573 PolarHBondContact O-N 2.83Å; S571-G574 PolarHBondContact O-N 3.17Å; S571-A575 PolarHBondContact O-N 3.18Å
572	L	95.3	Very high	92.9	Very high	56 Å²	56	60.5 Å²	60.5	29%	0.293	31%	0.307	S	S	.	.	H	α-helix	trans	-60.7	-42.4	175.1	-174.4	64.6	0	0	0	112	F549 K568 W569 A575 A576	F549-L572 HydrophobicContact CB-CB 4.46Å; F549-L572 HydrophobicContact CD1-CD1 3.96Å; F549-L572 HydrophobicContact CD2-CB 3.81Å; F549-L572 HydrophobicContact CD2-CD1 4.5Å; F549-L572 HydrophobicContact CD2-CD2 4.4Å; F549-L572 HydrophobicContact CD2-CG 4.46Å; F549-L572 HydrophobicContact CE1-CD1 4.08Å; F549-L572 HydrophobicContact CE1-CD2 4.48Å; F549-L572 HydrophobicContact CE2-CB 4.18Å; F549-L572 HydrophobicContact CE2-CD2 3.94Å; F549-L572 HydrophobicContact CE2-CG 4.47Å; F549-L572 HydrophobicContact CG-CB 4.06Å; F549-L572 HydrophobicContact CG-CD1 4.18Å; F549-L572 HydrophobicContact CZ-CD1 4.39Å; F549-L572 HydrophobicContact CZ-CD2 3.98Å; K568-L572 PolarHBondContact O-N 2.94Å; W569-L572 HydrophobicContact CE3-CD2 3.8Å; W569-L572 HydrophobicContact CZ3-CD2 3.78Å; W569-L572 PolarHBondContact O-N 2.79Å; L572-A575 PolarHBondContact O-N 3.03Å; L572-A576 PolarHBondContact O-N 3.33Å
573	L	95.6	Very high	93.2	Very high	98 Å²	98	59.1 Å²	59.1	51%	0.513	29%	0.288	S	S	.	.	H	α-helix	trans	-60.7	-45.7	174.3	179.6	64.3	0	0	0	111.5	W569 I570 S571 A575 A576 I577	W569-L573 WeakPolarHBondContact O-CB 3.46Å; W569-L573 PolarHBondContact O-N 2.91Å; I570-L573 PolarHBondContact O-N 2.72Å; S571-L573 VanDerWaalsContact C-N 3.33Å; S571-L573 PolarHBondContact O-N 2.83Å; L573-A575 VanDerWaalsContact C-N 3.32Å; L573-A575 PolarHBondContact O-N 3.23Å; L573-A576 PolarHBondContact O-N 3.49Å; L573-I577 HydrophobicContact CD1-CD1 3.99Å; L573-I577 HydrophobicContact CD1-CG1 4.27Å; L573-I577 HydrophobicContact CG-CD1 3.88Å; L573-I577 WeakPolarHBondContact O-CG1 3.45Å; L573-I577 PolarHBondContact O-N 3.22Å
574	G	94.5	Very high	93.3	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-58.4	-41.7	174.9	0	0	0	0	0	112.9	I570 S571 C578	I570-G574 PolarHBondContact O-N 2.86Å; S571-G574 PolarHBondContact O-N 3.17Å; G574-C578 WeakPolarHBondContact O-CB 3.48Å; G574-C578 PolarHBondContact O-N 3.35Å; G574-C578 PolarHBondContact O-SG 3.25Å
575	A	95.1	Very high	93.3	Very high	10 Å²	10	54.5 Å²	54.5	8%	0.083	27%	0.273	C	S	.	.	H	α-helix	trans	-63.9	-44.9	175.5	0	0	0	0	0	112.2	N545 S571 L572 L573 C578 F579	N545-A575 HydrophobicContact CB-CB 3.77Å; S571-A575 PolarHBondContact O-N 3.18Å; L572-A575 PolarHBondContact O-N 3.03Å; L573-A575 VanDerWaalsContact C-N 3.32Å; L573-A575 PolarHBondContact O-N 3.23Å; A575-C578 PolarHBondContact O-N 3.42Å; A575-F579 WeakPolarHBondContact O-CB 3.33Å; A575-F579 PolarHBondContact O-N 3.4Å
576	A	95.5	Very high	93.1	Very high	56 Å²	56	49 Å²	49	46%	0.463	25%	0.251	S	S	.	.	H	α-helix	trans	-63.2	-43.8	178.9	0	0	0	0	0	112.4	L572 L573 F579 A580	L572-A576 PolarHBondContact O-N 3.33Å; L573-A576 PolarHBondContact O-N 3.49Å; A576-F579 PolarHBondContact O-N 3.39Å; A576-A580 WeakPolarHBondContact O-CB 3.49Å; A576-A580 PolarHBondContact O-N 2.92Å
577	I	94.6	Very high	93.1	Very high	41 Å²	41	55.6 Å²	55.6	21%	0.21	28%	0.276	C	S	.	.	H	α-helix	trans	-64	-46.4	176.7	-64.8	167.6	0	0	0	110.6	V197 L200 L573 F579 A580 L581	V197-I577 HydrophobicContact CG2-CG2 3.58Å; L200-I577 HydrophobicContact CD1-CD1 4.02Å; L573-I577 HydrophobicContact CD1-CD1 3.99Å; L573-I577 HydrophobicContact CD1-CG1 4.27Å; L573-I577 HydrophobicContact CG-CD1 3.88Å; L573-I577 WeakPolarHBondContact O-CG1 3.45Å; L573-I577 PolarHBondContact O-N 3.22Å; I577-F579 VanDerWaalsContact C-N 3.33Å; I577-F579 PolarHBondContact O-N 2.79Å; I577-A580 PolarHBondContact O-N 3.02Å; I577-L581 HydrophobicContact CG2-CD1 3.94Å; I577-L581 HydrophobicContact CG2-CG 4.24Å; I577-L581 WeakPolarHBondContact O-CB 3.33Å; I577-L581 WeakPolarHBondContact O-CG 3.32Å; I577-L581 PolarHBondContact O-N 3.4Å
578	C	94.2	Very high	93	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.2	-45.9	177.4	-66.9	0	0	0	0	111.6	V197 A542 G574 A575 M582	V197-C578 VanDerWaalsContact CG1-SG 3.6Å; A542-C578 HydrophobicContact CB-CB 3.74Å; G574-C578 WeakPolarHBondContact O-CB 3.48Å; G574-C578 PolarHBondContact O-N 3.35Å; G574-C578 PolarHBondContact O-SG 3.25Å; A575-C578 PolarHBondContact O-N 3.42Å; C578-M582 WeakPolarHBondContact O-CB 3.23Å; C578-M582 PolarHBondContact O-N 3.08Å
579	F	92.9	Very high	92.8	Very high	98 Å²	98	56.5 Å²	56.5	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-65.4	-42.9	179.9	-171.2	-99.7	0	0	0	112.1	A575 A576 I577 M582 F583 T594	A575-F579 WeakPolarHBondContact O-CB 3.33Å; A575-F579 PolarHBondContact O-N 3.4Å; A576-F579 PolarHBondContact O-N 3.39Å; I577-F579 VanDerWaalsContact C-N 3.33Å; I577-F579 PolarHBondContact O-N 2.79Å; F579-M582 HydrophobicContact CD2-CE 4.24Å; F579-M582 HydrophobicContact CE2-CE 4.41Å; F579-M582 PolarHBondContact O-N 2.82Å; F579-F583 HydrophobicContact CD1-CD2 4.36Å; F579-F583 HydrophobicContact CD1-CE2 4.49Å; F579-F583 HydrophobicContact CD2-CE2 4.34Å; F579-F583 HydrophobicContact CE1-CD2 4.03Å; F579-F583 AromaticContact CE1-CE2 3.83Å; F579-F583 HydrophobicContact CE1-CE2 3.83Å; F579-F583 HydrophobicContact CE2-CD2 4.3Å; F579-F583 AromaticContact CE2-CE2 3.65Å; F579-F583 HydrophobicContact CE2-CE2 3.65Å; F579-F583 HydrophobicContact CZ-CD2 4.01Å; F579-F583 AromaticContact CZ-CE2 3.36Å; F579-F583 HydrophobicContact CZ-CE2 3.36Å; F579-F583 HydrophobicContact CZ-CZ 4.1Å; F579-F583 WeakPolarHBondContact O-CD2 3.42Å; F579-F583 PolarHBondContact O-N 3.26Å; F579-T594 HydrophobicContact CE2-CG2 4.18Å
580	A	93.3	Very high	92.6	Very high	46 Å²	46	49.8 Å²	49.8	38%	0.38	25%	0.25	S	C	.	.	H	α-helix	trans	-62.6	-48.8	176.5	0	0	0	0	0	112.1	A576 I577 M582 F583 L584	A576-A580 WeakPolarHBondContact O-CB 3.49Å; A576-A580 PolarHBondContact O-N 2.92Å; I577-A580 PolarHBondContact O-N 3.02Å; A580-M582 VanDerWaalsContact C-N 3.3Å; A580-M582 PolarHBondContact O-N 3.2Å; A580-F583 PolarHBondContact O-N 3.09Å; A580-L584 VanDerWaalsContact O-CG 3.3Å; A580-L584 WeakPolarHBondContact O-CG 3.45Å; A580-L584 PolarHBondContact O-N 3.06Å
581	L	92.5	Very high	92.5	Very high	16 Å²	16	51.5 Å²	51.5	8%	0.084	26%	0.259	C	S	.	.	H	α-helix	trans	-61.9	-37.2	178.6	-69.2	-179.9	0	0	0	112.5	V193 V197 L359 M538 I577 F583 L584 I585	V193-L581 HydrophobicContact CG1-CD1 4.02Å; V197-L581 HydrophobicContact CG2-CD1 3.91Å; L359-L581 HydrophobicContact CD2-CD2 3.92Å; M538-L581 HydrophobicContact CE-CB 3.88Å; M538-L581 HydrophobicContact CE-CD1 4.21Å; M538-L581 HydrophobicContact SD-CB 3.72Å; I577-L581 HydrophobicContact CG2-CD1 3.94Å; I577-L581 HydrophobicContact CG2-CG 4.24Å; I577-L581 WeakPolarHBondContact O-CB 3.33Å; I577-L581 WeakPolarHBondContact O-CG 3.32Å; I577-L581 PolarHBondContact O-N 3.4Å; L581-F583 VanDerWaalsContact C-N 3.34Å; L581-F583 PolarHBondContact O-N 2.84Å; L581-L584 HydrophobicContact CD2-CD1 4.49Å; L581-L584 PolarHBondContact O-N 3.22Å; L581-I585 WeakPolarHBondContact O-CB 3.21Å; L581-I585 WeakPolarHBondContact O-CG1 3.31Å; L581-I585 PolarHBondContact O-N 3.35Å
582	M	91.9	Very high	92.5	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.03	28%	0.283	C	S	.	.	H	α-helix	trans	-59.8	-44.5	177	-163.1	176.6	75.8	0	0	111.6	N535 M538 A539 C578 F579 A580 N586 A590 T594	N535-M582 VanDerWaalsContact OD1-CG 3.27Å; N535-M582 WeakPolarHBondContact OD1-CG 3.49Å; N535-M582 PolarHBondContact OD1-SD 3.12Å; N535-M582 VanDerWaalsContact OD1-SD 3.32Å; M538-M582 HydrophobicContact CB-CB 4.26Å; M538-M582 HydrophobicContact CB-CG 4.33Å; M538-M582 HydrophobicContact CB-SD 4.49Å; M538-M582 HydrophobicContact SD-CB 4.33Å; A539-M582 HydrophobicContact CB-SD 3.82Å; C578-M582 WeakPolarHBondContact O-CB 3.23Å; C578-M582 PolarHBondContact O-N 3.08Å; F579-M582 HydrophobicContact CD2-CE 4.24Å; F579-M582 HydrophobicContact CE2-CE 4.41Å; F579-M582 PolarHBondContact O-N 2.82Å; A580-M582 VanDerWaalsContact C-N 3.3Å; A580-M582 PolarHBondContact O-N 3.2Å; M582-N586 PolarHBondContact O-N 2.95Å; M582-A590 HydrophobicContact CB-CB 4.4Å; M582-A590 HydrophobicContact CE-CB 3.93Å; M582-A590 HydrophobicContact CG-CB 3.8Å; M582-A590 WeakPolarHBondContact O-CB 3.37Å; M582-T594 WeakPolarHBondContact CE-OG1 3.16Å
583	F	91.7	Very high	92.2	Very high	72 Å²	72	54.1 Å²	54.1	32%	0.316	27%	0.273	S	S	.	.	H	α-helix	trans	-71.1	-34.2	175.9	-88.7	-95.6	0	0	0	113.7	F579 A580 L581 W587 A590	F579-F583 HydrophobicContact CD1-CD2 4.36Å; F579-F583 HydrophobicContact CD1-CE2 4.49Å; F579-F583 HydrophobicContact CD2-CE2 4.34Å; F579-F583 HydrophobicContact CE1-CD2 4.03Å; F579-F583 AromaticContact CE1-CE2 3.83Å; F579-F583 HydrophobicContact CE1-CE2 3.83Å; F579-F583 HydrophobicContact CE2-CD2 4.3Å; F579-F583 AromaticContact CE2-CE2 3.65Å; F579-F583 HydrophobicContact CE2-CE2 3.65Å; F579-F583 HydrophobicContact CZ-CD2 4.01Å; F579-F583 AromaticContact CZ-CE2 3.36Å; F579-F583 HydrophobicContact CZ-CE2 3.36Å; F579-F583 HydrophobicContact CZ-CZ 4.1Å; F579-F583 WeakPolarHBondContact O-CD2 3.42Å; F579-F583 PolarHBondContact O-N 3.26Å; A580-F583 PolarHBondContact O-N 3.09Å; L581-F583 VanDerWaalsContact C-N 3.34Å; L581-F583 PolarHBondContact O-N 2.84Å; F583-W587 HydrophobicContact CD1-CB 4.27Å; F583-W587 PolarHBondContact O-N 3.41Å; F583-A590 HydrophobicContact CD1-CB 4.37Å; F583-A590 HydrophobicContact CD2-CB 3.89Å; F583-A590 HydrophobicContact CE1-CB 4.49Å; F583-A590 HydrophobicContact CE2-CB 4.01Å; F583-A590 HydrophobicContact CG-CB 4.08Å; F583-A590 HydrophobicContact CZ-CB 4.31Å
584	L	91.6	Very high	92	Very high	94 Å²	94	50.9 Å²	50.9	49%	0.492	26%	0.257	S	S	.	.	H	α-helix	trans	-71.4	-35	177.7	-70.3	166.7	0	0	0	112.7	F356 A580 L581	F356-L584 HydrophobicContact CD1-CB 3.78Å; F356-L584 HydrophobicContact CE1-CB 3.69Å; F356-L584 HydrophobicContact CE1-CD1 3.82Å; F356-L584 HydrophobicContact CE1-CG 4.22Å; F356-L584 HydrophobicContact CE2-CD2 4.41Å; F356-L584 HydrophobicContact CG-CB 4.27Å; F356-L584 HydrophobicContact CZ-CB 4.1Å; F356-L584 HydrophobicContact CZ-CD1 3.98Å; F356-L584 HydrophobicContact CZ-CD2 4.12Å; F356-L584 HydrophobicContact CZ-CG 4.29Å; A580-L584 VanDerWaalsContact O-CG 3.3Å; A580-L584 WeakPolarHBondContact O-CG 3.45Å; A580-L584 PolarHBondContact O-N 3.06Å; L581-L584 HydrophobicContact CD2-CD1 4.49Å; L581-L584 PolarHBondContact O-N 3.22Å
585	I	87.9	Confident	92	Very high	30 Å²	30	53 Å²	53	15%	0.154	28%	0.275	C	S	.	.	H	α-helix	trans	-69.2	-53	174.7	-75.3	170.5	0	0	0	111.2	L359 A360 M538 L581	L359-I585 HydrophobicContact CD2-CD1 4.42Å; L359-I585 HydrophobicContact CG-CD1 4.39Å; A360-I585 HydrophobicContact CB-CB 4.4Å; A360-I585 HydrophobicContact CB-CD1 4.07Å; A360-I585 HydrophobicContact CB-CG1 4.08Å; A360-I585 HydrophobicContact CB-CG2 3.5Å; M538-I585 HydrophobicContact CE-CD1 3.47Å; M538-I585 VanDerWaalsContact CE-CD1 3.47Å; M538-I585 HydrophobicContact SD-CD1 3.88Å; L581-I585 WeakPolarHBondContact O-CB 3.21Å; L581-I585 WeakPolarHBondContact O-CG1 3.31Å; L581-I585 PolarHBondContact O-N 3.35Å
586	N	87.3	Confident	91.9	Very high	33 Å²	33	56.5 Å²	56.5	18%	0.176	29%	0.288	C	S	.	.			trans	-158.4	96.3	-178.9	-176	-31	0	0	0	110.7	M582 W588 A589 A590	M582-N586 PolarHBondContact O-N 2.95Å; N586-W588 VanDerWaalsContact C-N 3.34Å; N586-W588 WeakPolarHBondContact ND2-CZ2 3.34Å; N586-W588 PolarHBondContact ND2-NE1 3.37Å; N586-W588 PolarHBondContact O-N 3.36Å; N586-W588 VanDerWaalsContact OD1-CE2 3.31Å; N586-W588 VanDerWaalsContact OD1-CG 3.23Å; N586-W588 PolarHBondContact OD1-N 3.47Å; N586-W588 PolarHBondContact OD1-NE1 3.37Å; N586-W588 VanDerWaalsContact OD1-NE1 3.1Å; N586-A589 HydrophobicContact CB-CB 4.05Å; N586-A589 VanDerWaalsContact CG-CB 3.44Å; N586-A589 PolarHBondContact O-N 3.04Å; N586-A589 WeakPolarHBondContact OD1-CB 3.46Å; N586-A589 PolarHBondContact OD1-N 3.34Å; N586-A590 WeakPolarHBondContact O-CB 3.25Å; N586-A590 PolarHBondContact O-N 3.46Å
587	W	91.5	Very high	91.7	Very high	171 Å²	171	54.4 Å²	54.4	65%	0.648	27%	0.271	S	S	*	.	H	α-helix	trans	-58.9	-37.1	-175.9	73.3	-91.4	0	0	0	114.2	F583 L591	F583-W587 HydrophobicContact CD1-CB 4.27Å; F583-W587 PolarHBondContact O-N 3.41Å; W587-L591 WeakPolarHBondContact O-CB 3.39Å; W587-L591 PolarHBondContact O-N 2.92Å
588	W	91.3	Very high	91.6	Very high	147 Å²	147	57.2 Å²	57.2	56%	0.557	29%	0.285	S	S	*	.	H	α-helix	trans	-77	-40.2	-177.1	66	-101.2	0	0	0	111	N586 A590 L591 I592	N586-W588 VanDerWaalsContact C-N 3.34Å; N586-W588 WeakPolarHBondContact ND2-CZ2 3.34Å; N586-W588 PolarHBondContact ND2-NE1 3.37Å; N586-W588 PolarHBondContact O-N 3.36Å; N586-W588 VanDerWaalsContact OD1-CE2 3.31Å; N586-W588 VanDerWaalsContact OD1-CG 3.23Å; N586-W588 PolarHBondContact OD1-N 3.47Å; N586-W588 PolarHBondContact OD1-NE1 3.37Å; N586-W588 VanDerWaalsContact OD1-NE1 3.1Å; W588-A590 VanDerWaalsContact C-N 3.35Å; W588-L591 PolarHBondContact O-N 2.91Å; W588-I592 HydrophobicContact CE3-CD1 3.91Å; W588-I592 HydrophobicContact CZ3-CD1 4.21Å; W588-I592 WeakPolarHBondContact O-CG1 3.22Å; W588-I592 PolarHBondContact O-N 3.38Å; W588-I592 VanDerWaalsContact O-N 3.08Å
589	A	88.9	Confident	91.5	Very high	16 Å²	16	61.6 Å²	61.6	13%	0.132	31%	0.312	C	S	.	.	H	α-helix	trans	-68.1	-37.5	174.8	0	0	0	0	0	110.9	N535 N586 I592 T593	N535-A589 WeakPolarHBondContact ND2-CB 3.44Å; N535-A589 PolarHBondContact ND2-O 3.46Å; N586-A589 HydrophobicContact CB-CB 4.05Å; N586-A589 VanDerWaalsContact CG-CB 3.44Å; N586-A589 PolarHBondContact O-N 3.04Å; N586-A589 WeakPolarHBondContact OD1-CB 3.46Å; N586-A589 PolarHBondContact OD1-N 3.34Å; A589-I592 PolarHBondContact O-N 2.89Å; A589-T593 PolarHBondContact O-N 3.5Å; A589-T593 PolarHBondContact O-OG1 3Å; A589-T593 VanDerWaalsContact O-OG1 3.06Å
590	A	91.5	Very high	91.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-39.3	173.6	0	0	0	0	0	112.5	M582 F583 N586 W588 T593 T594	M582-A590 HydrophobicContact CB-CB 4.4Å; M582-A590 HydrophobicContact CE-CB 3.93Å; M582-A590 HydrophobicContact CG-CB 3.8Å; M582-A590 WeakPolarHBondContact O-CB 3.37Å; F583-A590 HydrophobicContact CD1-CB 4.37Å; F583-A590 HydrophobicContact CD2-CB 3.89Å; F583-A590 HydrophobicContact CE1-CB 4.49Å; F583-A590 HydrophobicContact CE2-CB 4.01Å; F583-A590 HydrophobicContact CG-CB 4.08Å; F583-A590 HydrophobicContact CZ-CB 4.31Å; N586-A590 WeakPolarHBondContact O-CB 3.25Å; N586-A590 PolarHBondContact O-N 3.46Å; W588-A590 VanDerWaalsContact C-N 3.35Å; A590-T593 WeakPolarHBondContact CA-OG1 3.45Å; A590-T593 PolarHBondContact O-OG1 3.16Å; A590-T593 VanDerWaalsContact O-OG1 3.13Å; A590-T594 WeakPolarHBondContact O-CB 3.43Å; A590-T594 PolarHBondContact O-N 2.85Å; A590-T594 PolarHBondContact O-OG1 3.49Å
591	L	92.4	Very high	91.2	Very high	91 Å²	91	58.6 Å²	58.6	48%	0.476	29%	0.29	S	S	.	.	H	α-helix	trans	-64.3	-44.4	174.9	-171.3	156.7	0	0	0	110.8	W587 W588 T594 A595	W587-L591 WeakPolarHBondContact O-CB 3.39Å; W587-L591 PolarHBondContact O-N 2.92Å; W588-L591 PolarHBondContact O-N 2.91Å; L591-T594 PolarHBondContact O-N 3.19Å; L591-A595 VanDerWaalsContact O-CB 3.24Å; L591-A595 WeakPolarHBondContact O-CB 3.49Å; L591-A595 PolarHBondContact O-N 3.43Å
592	I	92.7	Very high	91	Very high	100 Å²	100	60.2 Å²	60.2	51%	0.513	30%	0.3	S	S	.	.	H	α-helix	trans	-63.7	-46.9	177.5	-66.9	171	0	0	0	111.4	W588 A589 A595 F596	W588-I592 HydrophobicContact CE3-CD1 3.91Å; W588-I592 HydrophobicContact CZ3-CD1 4.21Å; W588-I592 WeakPolarHBondContact O-CG1 3.22Å; W588-I592 PolarHBondContact O-N 3.38Å; W588-I592 VanDerWaalsContact O-N 3.08Å; A589-I592 PolarHBondContact O-N 2.89Å; I592-A595 PolarHBondContact O-N 2.58Å; I592-F596 WeakPolarHBondContact O-CB 3.4Å; I592-F596 PolarHBondContact O-N 3.49Å
593	T	90.5	Very high	91	Very high	11 Å²	11	64.7 Å²	64.7	7%	0.067	32%	0.318	C	S	.	.	H	α-helix	trans	-66.5	-39.1	178.8	49.7	0	0	0	0	112.2	N535 F536 A589 A590 F596 A597	N535-T593 WeakPolarHBondContact ND2-CG2 3.4Å; N535-T593 PolarHBondContact ND2-OG1 2.94Å; N535-T593 WeakPolarHBondContact OD1-CG2 3.31Å; N535-T593 PolarHBondContact OD1-OG1 3.48Å; F536-T593 HydrophobicContact CD1-CG2 4.03Å; F536-T593 HydrophobicContact CE1-CG2 3.87Å; A589-T593 PolarHBondContact O-N 3.5Å; A589-T593 PolarHBondContact O-OG1 3Å; A589-T593 VanDerWaalsContact O-OG1 3.06Å; A590-T593 WeakPolarHBondContact CA-OG1 3.45Å; A590-T593 PolarHBondContact O-OG1 3.16Å; A590-T593 VanDerWaalsContact O-OG1 3.13Å; T593-F596 PolarHBondContact O-N 3.26Å; T593-A597 WeakPolarHBondContact O-CB 3.44Å; T593-A597 PolarHBondContact O-N 3.44Å
594	T	91.2	Very high	90.7	Very high	31 Å²	31	61.3 Å²	61.3	19%	0.19	30%	0.303	C	S	.	.	H	α-helix	trans	-63.6	-46.3	174.1	-57.2	0	0	0	0	111.3	F579 M582 A590 L591 F596 A597 I598	F579-T594 HydrophobicContact CE2-CG2 4.18Å; M582-T594 WeakPolarHBondContact CE-OG1 3.16Å; A590-T594 WeakPolarHBondContact O-CB 3.43Å; A590-T594 PolarHBondContact O-N 2.85Å; A590-T594 PolarHBondContact O-OG1 3.49Å; L591-T594 PolarHBondContact O-N 3.19Å; T594-F596 VanDerWaalsContact C-N 3.32Å; T594-F596 PolarHBondContact O-N 2.96Å; T594-A597 PolarHBondContact O-N 3.29Å; T594-I598 HydrophobicContact CG2-CD1 3.87Å; T594-I598 WeakPolarHBondContact O-CG1 3.34Å; T594-I598 PolarHBondContact O-N 2.98Å
595	A	93.7	Very high	90.2	Very high	45 Å²	45	59.2 Å²	59.2	37%	0.372	29%	0.292	S	S	.	.	H	α-helix	trans	-63.1	-38.7	177.3	0	0	0	0	0	112	L591 I592 T599	L591-A595 VanDerWaalsContact O-CB 3.24Å; L591-A595 WeakPolarHBondContact O-CB 3.49Å; L591-A595 PolarHBondContact O-N 3.43Å; I592-A595 PolarHBondContact O-N 2.58Å; A595-T599 VanDerWaalsContact O-CB 3.32Å; A595-T599 WeakPolarHBondContact O-CB 3.49Å; A595-T599 PolarHBondContact O-N 3.22Å; A595-T599 PolarHBondContact O-OG1 3.5Å
596	F	93	Very high	90.1	Very high	83 Å²	83	67.9 Å²	67.9	36%	0.364	32%	0.323	S	S	.	.	H	α-helix	trans	-64.1	-46.7	174.2	-177.8	-113.2	0	0	0	111.7	I237 I238 L241 I592 T593 T594 T599 L600	I237-F596 HydrophobicContact CG2-CE1 4.14Å; I237-F596 HydrophobicContact CG2-CZ 4.21Å; I238-F596 HydrophobicContact CG1-CD1 4.41Å; I238-F596 HydrophobicContact CG1-CE1 4.44Å; L241-F596 HydrophobicContact CD1-CE1 4.22Å; I592-F596 WeakPolarHBondContact O-CB 3.4Å; I592-F596 PolarHBondContact O-N 3.49Å; T593-F596 PolarHBondContact O-N 3.26Å; T594-F596 VanDerWaalsContact C-N 3.32Å; T594-F596 PolarHBondContact O-N 2.96Å; F596-T599 PolarHBondContact O-N 3.03Å; F596-L600 HydrophobicContact CD1-CD1 4.1Å; F596-L600 HydrophobicContact CE1-CD1 3.65Å; F596-L600 HydrophobicContact CE1-CG 4.44Å; F596-L600 HydrophobicContact CE2-CD1 4.46Å; F596-L600 HydrophobicContact CE2-CG 4.46Å; F596-L600 HydrophobicContact CZ-CD1 3.85Å; F596-L600 HydrophobicContact CZ-CD2 4.46Å; F596-L600 HydrophobicContact CZ-CG 4.31Å; F596-L600 WeakPolarHBondContact O-CG 3.36Å; F596-L600 PolarHBondContact O-N 3.38Å
597	A	90.8	Very high	89.7	Confident	12 Å²	12	70.9 Å²	70.9	10%	0.099	33%	0.331	C	S	.	.	H	α-helix	trans	-59.2	-47.5	176.2	0	0	0	0	0	112.5	I238 L543 T593 T594 T599 L600 Y601	I238-A597 HydrophobicContact CD1-CB 3.62Å; L543-A597 HydrophobicContact CD1-CB 4.29Å; T593-A597 WeakPolarHBondContact O-CB 3.44Å; T593-A597 PolarHBondContact O-N 3.44Å; T594-A597 PolarHBondContact O-N 3.29Å; A597-T599 VanDerWaalsContact C-N 3.3Å; A597-T599 PolarHBondContact O-N 3.44Å; A597-L600 PolarHBondContact O-N 3.39Å; A597-Y601 WeakPolarHBondContact O-CB 3.38Å; A597-Y601 PolarHBondContact O-N 3.47Å
598	I	91.9	Very high	88.7	Confident	99 Å²	99	68.8 Å²	68.8	51%	0.508	33%	0.327	S	S	.	.	H	α-helix	trans	-62.4	-39.2	176	-67.5	169.2	0	0	0	110.7	T594 Y601 V602	T594-I598 HydrophobicContact CG2-CD1 3.87Å; T594-I598 WeakPolarHBondContact O-CG1 3.34Å; T594-I598 PolarHBondContact O-N 2.98Å; I598-Y601 PolarHBondContact O-N 3.24Å; I598-V602 HydrophobicContact CG2-CG2 4.16Å; I598-V602 WeakPolarHBondContact O-CB 3.09Å; I598-V602 VanDerWaalsContact O-CG2 3.31Å; I598-V602 WeakPolarHBondContact O-CG2 3.22Å; I598-V602 PolarHBondContact O-N 3.08Å
599	T	93.5	Very high	87.6	Confident	92 Å²	92	63.1 Å²	63.1	56%	0.564	31%	0.309	S	S	*	.	H	α-helix	trans	-65.1	-41.6	178.2	-60.2	0	0	0	0	111.9	A595 F596 A597 Y603	A595-T599 VanDerWaalsContact O-CB 3.32Å; A595-T599 WeakPolarHBondContact O-CB 3.49Å; A595-T599 PolarHBondContact O-N 3.22Å; A595-T599 PolarHBondContact O-OG1 3.5Å; F596-T599 PolarHBondContact O-N 3.03Å; A597-T599 VanDerWaalsContact C-N 3.3Å; A597-T599 PolarHBondContact O-N 3.44Å; T599-Y603 WeakPolarHBondContact O-CB 3.42Å; T599-Y603 PolarHBondContact O-N 3.35Å
600	L	91.1	Very high	86.3	Confident	20 Å²	20	69.7 Å²	69.7	11%	0.105	34%	0.342	C	S	.	.	H	α-helix	trans	-63.4	-45.3	173.3	-68.9	176.5	0	0	0	111.6	I237 F490 F596 A597 Y603 L604	I237-L600 HydrophobicContact CB-CD1 4.07Å; I237-L600 HydrophobicContact CD1-CD1 4.23Å; I237-L600 HydrophobicContact CD1-CD2 4.1Å; I237-L600 HydrophobicContact CG2-CD1 3.97Å; F490-L600 HydrophobicContact CE1-CD2 3.88Å; F490-L600 HydrophobicContact CZ-CD2 4.1Å; F596-L600 HydrophobicContact CD1-CD1 4.1Å; F596-L600 HydrophobicContact CE1-CD1 3.65Å; F596-L600 HydrophobicContact CE1-CG 4.44Å; F596-L600 HydrophobicContact CE2-CD1 4.46Å; F596-L600 HydrophobicContact CE2-CG 4.46Å; F596-L600 HydrophobicContact CZ-CD1 3.85Å; F596-L600 HydrophobicContact CZ-CD2 4.46Å; F596-L600 HydrophobicContact CZ-CG 4.31Å; F596-L600 WeakPolarHBondContact O-CG 3.36Å; F596-L600 PolarHBondContact O-N 3.38Å; A597-L600 PolarHBondContact O-N 3.39Å; L600-Y603 WeakPolarHBondContact O-CB 3.36Å; L600-Y603 PolarHBondContact O-N 2.96Å; L600-L604 WeakPolarHBondContact O-CG 3.3Å; L600-L604 PolarHBondContact O-N 2.93Å
601	Y	88.2	Confident	85	Confident	62 Å²	62	71.5 Å²	71.5	24%	0.243	35%	0.353	C	S	.	.	H	α-helix	trans	-61.1	-49	178.8	-177.4	-103.2	0	0	0	111.9	E230 F231 S234 A597 I598 Y603 L604 L605	E230-Y601 HydrophobicContact CB-CD2 3.65Å; E230-Y601 HydrophobicContact CB-CE2 3.35Å; E230-Y601 HydrophobicContact CG-CE2 4.3Å; E230-Y601 VanDerWaalsContact OE2-CE2 3.3Å; E230-Y601 WeakPolarHBondContact OE2-CE2 3.31Å; E230-Y601 VanDerWaalsContact OE2-CZ 3.22Å; E230-Y601 PolarHBondContact OE2-OH 3.25Å; F231-Y601 HydrophobicContact CD1-CE2 4.41Å; F231-Y601 HydrophobicContact CD2-CE2 4.48Å; F231-Y601 HydrophobicContact CE1-CE2 4.29Å; F231-Y601 HydrophobicContact CE2-CE2 4.38Å; F231-Y601 HydrophobicContact CZ-CE2 4.28Å; S234-Y601 WeakPolarHBondContact OG-CA 3.34Å; S234-Y601 PolarHBondContact OG-N 3.39Å; A597-Y601 WeakPolarHBondContact O-CB 3.38Å; A597-Y601 PolarHBondContact O-N 3.47Å; I598-Y601 PolarHBondContact O-N 3.24Å; Y601-Y603 VanDerWaalsContact C-N 3.34Å; Y601-Y603 PolarHBondContact O-N 3.32Å; Y601-L604 PolarHBondContact O-N 3.43Å; Y601-L605 HydrophobicContact CD1-CD1 3.84Å; Y601-L605 HydrophobicContact CE1-CD1 3.36Å; Y601-L605 HydrophobicContact CE1-CG 4.22Å; Y601-L605 PolarHBondContact O-N 3.19Å
602	V	88.8	Confident	83.6	Confident	49 Å²	49	73 Å²	73	30%	0.297	36%	0.362	S	S	.	.	H	α-helix	trans	-66.9	-32.7	177.4	172.7	0	0	0	0	112.3	I598 R606	I598-V602 HydrophobicContact CG2-CG2 4.16Å; I598-V602 WeakPolarHBondContact O-CB 3.09Å; I598-V602 VanDerWaalsContact O-CG2 3.31Å; I598-V602 WeakPolarHBondContact O-CG2 3.22Å; I598-V602 PolarHBondContact O-N 3.08Å; V602-R606 WeakPolarHBondContact O-CB 3.4Å; V602-R606 WeakPolarHBondContact O-CG 3.41Å; V602-R606 PolarHBondContact O-N 2.93Å
603	Y	90.8	Very high	82.2	Confident	101 Å²	101	70.4 Å²	70.4	40%	0.396	35%	0.345	S	S	.	.	H	α-helix	trans	-62.6	-46.3	173.4	173.1	-93.3	0	0	0	111.4	F490 T599 L600 Y601 R606 R607	F490-Y603 AromaticContact CD1-CD1 3.88Å; F490-Y603 HydrophobicContact CD1-CD1 3.88Å; F490-Y603 AromaticContact CD1-CE1 3.55Å; F490-Y603 HydrophobicContact CD1-CE1 3.55Å; F490-Y603 AromaticContact CE1-CD1 3.63Å; F490-Y603 HydrophobicContact CE1-CD1 3.63Å; F490-Y603 AromaticContact CE1-CE1 3.82Å; F490-Y603 HydrophobicContact CE1-CE1 3.82Å; T599-Y603 WeakPolarHBondContact O-CB 3.42Å; T599-Y603 PolarHBondContact O-N 3.35Å; L600-Y603 WeakPolarHBondContact O-CB 3.36Å; L600-Y603 PolarHBondContact O-N 2.96Å; Y601-Y603 VanDerWaalsContact C-N 3.34Å; Y601-Y603 PolarHBondContact O-N 3.32Å; Y603-R606 PolarHBondContact O-N 2.96Å; Y603-R607 WeakPolarHBondContact O-CB 3.49Å; Y603-R607 PolarHBondContact O-N 3.44Å
604	L	86.3	Confident	80.8	Confident	0 Å²	0	72 Å²	72	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-66.2	-45.4	178.5	-67.9	170.8	0	0	0	111.7	E230 L489 F490 L600 Y601 R606 R607 K608 P609	E230-L604 HydrophobicContact CB-CB 4.47Å; E230-L604 HydrophobicContact CG-CB 4.35Å; L489-L604 HydrophobicContact CB-CD2 4Å; L489-L604 WeakPolarHBondContact O-CD2 3.49Å; F490-L604 HydrophobicContact CE1-CD2 4.05Å; F490-L604 HydrophobicContact CE1-CG 4.27Å; F490-L604 HydrophobicContact CE2-CD1 4.34Å; F490-L604 HydrophobicContact CE2-CD2 4.18Å; F490-L604 HydrophobicContact CZ-CD1 3.82Å; F490-L604 HydrophobicContact CZ-CD2 3.83Å; F490-L604 HydrophobicContact CZ-CG 3.95Å; L600-L604 WeakPolarHBondContact O-CG 3.3Å; L600-L604 PolarHBondContact O-N 2.93Å; Y601-L604 PolarHBondContact O-N 3.43Å; L604-R606 VanDerWaalsContact C-N 3.31Å; L604-R606 PolarHBondContact O-N 3.3Å; L604-R607 PolarHBondContact O-N 2.9Å; L604-R607 VanDerWaalsContact O-N 3.14Å; L604-K608 PolarHBondContact O-N 2.72Å; L604-K608 VanDerWaalsContact O-N 3.16Å; L604-P609 WeakPolarHBondContact O-CD 3.37Å
605	L	81.9	Confident	79.6	Confident	51 Å²	51	71.4 Å²	71.4	27%	0.267	36%	0.361	S	S	.	.	H	α-helix	trans	-52	-46.3	172.5	-90.5	171	0	0	0	112.8	E230 Y601 K608 L617	E230-L605 HydrophobicContact CG-CD2 4.32Å; E230-L605 HydrophobicContact CG-CG 4.14Å; E230-L605 WeakPolarHBondContact OE1-CD2 3.39Å; E230-L605 WeakPolarHBondContact OE2-CD2 3.2Å; Y601-L605 HydrophobicContact CD1-CD1 3.84Å; Y601-L605 HydrophobicContact CE1-CD1 3.36Å; Y601-L605 HydrophobicContact CE1-CG 4.22Å; Y601-L605 PolarHBondContact O-N 3.19Å; L605-K608 VanDerWaalsContact O-CG 3.29Å; L605-K608 WeakPolarHBondContact O-CG 3.3Å; L605-L617 HydrophobicContact CD2-CD2 4Å
606	R	84	Confident	78.3	Confident	212 Å²	212	69.9 Å²	69.9	80%	0.8	35%	0.348	S	S	*	.	H	α-helix	trans	-73.5	-29.2	-179.9	-77.1	-177	177.6	159	4.9	113.6	V602 Y603 L604 K608	V602-R606 WeakPolarHBondContact O-CB 3.4Å; V602-R606 WeakPolarHBondContact O-CG 3.41Å; V602-R606 PolarHBondContact O-N 2.93Å; Y603-R606 PolarHBondContact O-N 2.96Å; L604-R606 VanDerWaalsContact C-N 3.31Å; L604-R606 PolarHBondContact O-N 3.3Å; R606-K608 VanDerWaalsContact C-N 3.29Å
607	R	79.6	Confident	77	Confident	95 Å²	95	70.6 Å²	70.6	36%	0.358	36%	0.355	S	S	.	.	H	α-helix	trans	-71.4	-27.8	177.7	-171.1	171.6	178.7	-135.5	-7.8	111.7	R488 L489 Y603 L604	R488-R607 PolarHBondContact O-NH1 3.4Å; L489-R607 PolarHBondContact O-NH1 2.9Å; Y603-R607 WeakPolarHBondContact O-CB 3.49Å; Y603-R607 PolarHBondContact O-N 3.44Å; L604-R607 PolarHBondContact O-N 2.9Å; L604-R607 VanDerWaalsContact O-N 3.14Å
608	K	70.6	Confident	75.9	Confident	128 Å²	128	75 Å²	75	56%	0.557	37%	0.373	S	S	*	.			trans	42.3	63.8	-171.9	-63.3	-164	-178.2	-168.9	0	110.5	L604 L605 R606 D834	L604-K608 PolarHBondContact O-N 2.72Å; L604-K608 VanDerWaalsContact O-N 3.16Å; L605-K608 VanDerWaalsContact O-CG 3.29Å; L605-K608 WeakPolarHBondContact O-CG 3.3Å; R606-K608 VanDerWaalsContact C-N 3.29Å; K608-D834 IonicContact NZ-OD1 3.65Å; K608-D834 PolarHBondContact NZ-OD1 3.42Å
609	P	67.4	Low	74.9	Confident	27 Å²	27	71.5 Å²	71.5	18%	0.175	36%	0.359	C	S	.	.			trans	-57.9	141.4	-174.4	25.8	-34.4	0	0	0	111	A229 L489 L604 V611	A229-P609 HydrophobicContact CB-CG 4.08Å; L489-P609 HydrophobicContact CD2-CB 4.37Å; L489-P609 HydrophobicContact CD2-CG 4.34Å; L604-P609 WeakPolarHBondContact O-CD 3.37Å; P609-V611 HydrophobicContact CB-CG2 3.99Å; P609-V611 HydrophobicContact CG-CG2 3.89Å; P609-V611 PolarHBondContact O-N 3.5Å
610	D	61.8	Low	73.7	Confident	155 Å²	155	69 Å²	69	83%	0.829	34%	0.342	S	S	*	.	S	Bend	trans	-72.7	59.4	-177.6	-56.2	-52.1	0	0	0	112.1
611	V	63.9	Low	72.9	Confident	38 Å²	38	70.1 Å²	70.1	23%	0.23	35%	0.352	C	S	.	.			trans	-126.2	111.1	-177	-71.9	0	0	0	0	111	A229 L489 P609 W613	A229-V611 HydrophobicContact CB-CG2 3.71Å; L489-V611 HydrophobicContact CD2-CG2 4.41Å; P609-V611 HydrophobicContact CB-CG2 3.99Å; P609-V611 HydrophobicContact CG-CG2 3.89Å; P609-V611 PolarHBondContact O-N 3.5Å; V611-W613 HydrophobicContact CB-CD2 3.95Å; V611-W613 HydrophobicContact CB-CG 4.22Å; V611-W613 HydrophobicContact CB-CZ2 4Å; V611-W613 HydrophobicContact CG1-CH2 4.48Å; V611-W613 HydrophobicContact CG1-CZ2 3.81Å; V611-W613 HydrophobicContact CG2-CD2 4.05Å; V611-W613 HydrophobicContact CG2-CE3 4.22Å; V611-W613 HydrophobicContact CG2-CZ2 4.38Å; V611-W613 HydrophobicContact CG2-CZ3 4.48Å; V611-W613 PolarHBondContact O-N 2.78Å
612	N	63.1	Low	72.3	Confident	123 Å²	123	74.9 Å²	74.9	66%	0.658	37%	0.371	S	S	*	.			trans	-76.7	55.8	-178.6	-63.4	-3.7	0	0	0	112.1	Y839	N612-Y839 WeakPolarHBondContact OD1-CE1 3.32Å
613	W	63	Low	71.7	Confident	44 Å²	44	74.3 Å²	74.3	17%	0.167	37%	0.366	C	S	.	.	S	Bend	trans	-93.4	-9.7	175.2	-52.1	-13.6	0	0	0	111.8	S224 R225 A229 D487 L489 V611	S224-W613 VanDerWaalsContact O-CE3 3.23Å; R225-W613 VanDerWaalsContact CZ-CE2 3.43Å; R225-W613 VanDerWaalsContact NE-CE2 3.33Å; R225-W613 VanDerWaalsContact NH1-NE1 3.16Å; A229-W613 HydrophobicContact CB-CE3 3.65Å; A229-W613 HydrophobicContact CB-CZ3 3.66Å; D487-W613 HydrophobicContact CB-CH2 3.69Å; D487-W613 HydrophobicContact CB-CZ2 4.04Å; D487-W613 WeakPolarHBondContact OD1-CZ2 3.4Å; D487-W613 WeakPolarHBondContact OD2-CH2 3.4Å; L489-W613 HydrophobicContact CD1-CH2 4.26Å; L489-W613 HydrophobicContact CD1-CZ3 4.2Å; L489-W613 HydrophobicContact CD2-CH2 3.89Å; L489-W613 HydrophobicContact CD2-CZ3 4.09Å; L489-W613 HydrophobicContact CG-CH2 4.31Å; V611-W613 HydrophobicContact CB-CD2 3.95Å; V611-W613 HydrophobicContact CB-CG 4.22Å; V611-W613 HydrophobicContact CB-CZ2 4Å; V611-W613 HydrophobicContact CG1-CH2 4.48Å; V611-W613 HydrophobicContact CG1-CZ2 3.81Å; V611-W613 HydrophobicContact CG2-CD2 4.05Å; V611-W613 HydrophobicContact CG2-CE3 4.22Å; V611-W613 HydrophobicContact CG2-CZ2 4.38Å; V611-W613 HydrophobicContact CG2-CZ3 4.48Å; V611-W613 PolarHBondContact O-N 2.78Å
614	G	61.4	Low	71.4	Confident	45 Å²	45	72.2 Å²	72.2	46%	0.464	37%	0.366	S	S	.	.			trans	72.5	156.3	-166.9	0	0	0	0	0	111.9
615	S	66.1	Low	71.4	Confident	18 Å²	18	74.2 Å²	74.2	13%	0.126	38%	0.38	C	S	.	.			trans	-119.2	141.3	166.8	-179.8	0	0	0	0	109.9	E230 L617 E618 A619	E230-S615 PolarHBondContact OE1-OG 3.43Å; S615-L617 PolarHBondContact O-N 2.93Å; S615-L617 WeakPolarHBondContact OG-CB 3.18Å; S615-L617 PolarHBondContact OG-N 3.23Å; S615-E618 PolarHBondContact N-OE2 3.22Å; S615-E618 PolarHBondContact O-N 3.38Å; S615-E618 VanDerWaalsContact O-N 3.11Å; S615-A619 PolarHBondContact O-N 3.16Å; S615-A619 VanDerWaalsContact O-N 3.12Å
616	S	66.5	Low	71.6	Confident	14 Å²	14	74.7 Å²	74.7	10%	0.098	38%	0.382	C	S	.	.	H	α-helix	trans	-58.8	-29.5	171.3	57.1	0	0	0	0	111.2	D550 N620	D550-S616 WeakPolarHBondContact OD2-CB 3.33Å; D550-S616 PolarHBondContact OD2-OG 3.3Å; S616-N620 VanDerWaalsContact O-CB 3.27Å; S616-N620 WeakPolarHBondContact O-CB 3.48Å; S616-N620 VanDerWaalsContact O-CG 3.31Å; S616-N620 PolarHBondContact O-N 3.26Å; S616-N620 PolarHBondContact O-ND2 3.35Å; S616-N620 VanDerWaalsContact O-ND2 3.12Å
617	L	65.8	Low	71.8	Confident	97 Å²	97	71.1 Å²	71.1	51%	0.508	37%	0.369	S	S	.	.	H	α-helix	trans	-64.6	-41	174.8	-170.7	64.8	0	0	0	112.6	L605 S615 S621	L605-L617 HydrophobicContact CD2-CD2 4Å; S615-L617 PolarHBondContact O-N 2.93Å; S615-L617 WeakPolarHBondContact OG-CB 3.18Å; S615-L617 PolarHBondContact OG-N 3.23Å; L617-S621 WeakPolarHBondContact O-CB 3.46Å; L617-S621 PolarHBondContact O-N 3.08Å
618	E	69.1	Low	72.2	Confident	104 Å²	104	74.5 Å²	74.5	49%	0.486	38%	0.381	S	S	.	.	H	α-helix	trans	-69.9	-43.7	177	-68.1	176.2	149.6	0	0	111.1	S615 N620 S621 Y622	S615-E618 PolarHBondContact N-OE2 3.22Å; S615-E618 PolarHBondContact O-N 3.38Å; S615-E618 VanDerWaalsContact O-N 3.11Å; E618-N620 VanDerWaalsContact C-N 3.34Å; E618-N620 PolarHBondContact O-N 2.7Å; E618-S621 WeakPolarHBondContact O-CB 3.39Å; E618-S621 PolarHBondContact O-N 3.36Å; E618-S621 VanDerWaalsContact O-N 3.13Å; E618-Y622 PolarHBondContact O-N 3.13Å
619	A	68.9	Low	73.1	Confident	26 Å²	26	70.3 Å²	70.3	22%	0.215	37%	0.365	C	S	.	.	H	α-helix	trans	-58.8	-44.9	174	0	0	0	0	0	111.6	A556 S615 S621 Y622 L623	A556-A619 HydrophobicContact CB-CB 4.43Å; S615-A619 PolarHBondContact O-N 3.16Å; S615-A619 VanDerWaalsContact O-N 3.12Å; A619-S621 VanDerWaalsContact C-N 3.34Å; A619-S621 PolarHBondContact O-N 3.27Å; A619-Y622 PolarHBondContact O-N 3.26Å; A619-L623 VanDerWaalsContact O-CB 3.24Å; A619-L623 WeakPolarHBondContact O-CB 3.44Å; A619-L623 PolarHBondContact O-N 3.07Å
620	N	70.3	Confident	74.2	Confident	40 Å²	40	72.9 Å²	72.9	21%	0.214	38%	0.377	C	S	.	.	H	α-helix	trans	-60.2	-39.5	173.5	-84.8	-38.9	0	0	0	112.6	S554 S616 E618 S624	S554-N620 VanDerWaalsContact CA-OD1 3.26Å; S554-N620 WeakPolarHBondContact CA-OD1 3.46Å; S554-N620 WeakPolarHBondContact CB-ND2 3.21Å; S554-N620 VanDerWaalsContact CB-OD1 3.22Å; S554-N620 WeakPolarHBondContact CB-OD1 3.34Å; S616-N620 VanDerWaalsContact O-CB 3.27Å; S616-N620 WeakPolarHBondContact O-CB 3.48Å; S616-N620 VanDerWaalsContact O-CG 3.31Å; S616-N620 PolarHBondContact O-N 3.26Å; S616-N620 PolarHBondContact O-ND2 3.35Å; S616-N620 VanDerWaalsContact O-ND2 3.12Å; E618-N620 VanDerWaalsContact C-N 3.34Å; E618-N620 PolarHBondContact O-N 2.7Å; N620-S624 WeakPolarHBondContact O-CB 3.24Å; N620-S624 PolarHBondContact O-N 3.05Å; N620-S624 PolarHBondContact O-OG 3.29Å
621	S	73	Confident	75.6	Confident	43 Å²	43	73.2 Å²	73.2	30%	0.301	37%	0.371	S	S	.	.	H	α-helix	trans	-67.6	-44.8	178.6	-166.5	0	0	0	0	112.4	L617 E618 A619 S624 S625 S835	L617-S621 WeakPolarHBondContact O-CB 3.46Å; L617-S621 PolarHBondContact O-N 3.08Å; E618-S621 WeakPolarHBondContact O-CB 3.39Å; E618-S621 PolarHBondContact O-N 3.36Å; E618-S621 VanDerWaalsContact O-N 3.13Å; A619-S621 VanDerWaalsContact C-N 3.34Å; A619-S621 PolarHBondContact O-N 3.27Å; S621-S624 PolarHBondContact O-N 3.23Å; S621-S625 WeakPolarHBondContact O-CB 3.38Å; S621-S625 PolarHBondContact O-N 2.86Å; S621-S625 PolarHBondContact O-OG 3.21Å; S621-S835 VanDerWaalsContact OG-CB 3.29Å; S621-S835 WeakPolarHBondContact OG-CB 3.42Å
622	Y	76.4	Confident	76.7	Confident	163 Å²	163	74.3 Å²	74.3	64%	0.639	38%	0.375	S	S	*	.	H	α-helix	trans	-60.5	-50.4	173.6	176	-95	0	0	0	111.2	E618 A619 S624 S625 L626	E618-Y622 PolarHBondContact O-N 3.13Å; A619-Y622 PolarHBondContact O-N 3.26Å; Y622-S624 VanDerWaalsContact C-N 3.32Å; Y622-S624 PolarHBondContact O-N 3.45Å; Y622-S625 WeakPolarHBondContact O-CB 3.24Å; Y622-S625 PolarHBondContact O-N 3.47Å; Y622-S625 VanDerWaalsContact O-N 3.13Å; Y622-L626 HydrophobicContact CE1-CD2 4.08Å; Y622-L626 WeakPolarHBondContact O-CB 3.49Å; Y622-L626 PolarHBondContact O-N 2.86Å
623	L	76.3	Confident	77.9	Confident	36 Å²	36	74 Å²	74	19%	0.188	37%	0.37	C	S	.	.	H	α-helix	trans	-62.1	-39.4	-179	-174.9	58.1	0	0	0	112.1	Q555 A619 R627	Q555-L623 HydrophobicContact CB-CD2 4.48Å; A619-L623 VanDerWaalsContact O-CB 3.24Å; A619-L623 WeakPolarHBondContact O-CB 3.44Å; A619-L623 PolarHBondContact O-N 3.07Å; L623-R627 HydrophobicContact CD1-CG 4.46Å; L623-R627 WeakPolarHBondContact O-CB 3.38Å; L623-R627 VanDerWaalsContact O-CG 3.24Å; L623-R627 WeakPolarHBondContact O-CG 3.33Å; L623-R627 PolarHBondContact O-N 3.06Å
624	S	83.1	Confident	79	Confident	58 Å²	58	80 Å²	80	41%	0.406	40%	0.397	S	S	.	.	H	α-helix	trans	-64.6	-40.7	174.4	-64	0	0	0	0	112.4	N620 S621 Y622 R628	N620-S624 WeakPolarHBondContact O-CB 3.24Å; N620-S624 PolarHBondContact O-N 3.05Å; N620-S624 PolarHBondContact O-OG 3.29Å; S621-S624 PolarHBondContact O-N 3.23Å; Y622-S624 VanDerWaalsContact C-N 3.32Å; Y622-S624 PolarHBondContact O-N 3.45Å; S624-R628 WeakPolarHBondContact O-CD 3.2Å; S624-R628 WeakPolarHBondContact O-CG 3.45Å; S624-R628 PolarHBondContact O-N 3.16Å; S624-R628 VanDerWaalsContact O-N 3.16Å
625	S	86.1	Confident	80.1	Confident	41 Å²	41	81.8 Å²	81.8	29%	0.287	40%	0.4	S	S	.	.	H	α-helix	trans	-66.6	-47.9	177	-58.9	0	0	0	0	111.4	S621 Y622 R628 L629	S621-S625 WeakPolarHBondContact O-CB 3.38Å; S621-S625 PolarHBondContact O-N 2.86Å; S621-S625 PolarHBondContact O-OG 3.21Å; Y622-S625 WeakPolarHBondContact O-CB 3.24Å; Y622-S625 PolarHBondContact O-N 3.47Å; Y622-S625 VanDerWaalsContact O-N 3.13Å; S625-R628 WeakPolarHBondContact O-CB 3.31Å; S625-R628 PolarHBondContact O-N 2.82Å; S625-L629 WeakPolarHBondContact O-CG 3.28Å; S625-L629 PolarHBondContact O-N 3.48Å
626	L	86.2	Confident	80.9	Confident	61 Å²	61	92.1 Å²	92.1	32%	0.319	44%	0.436	S	S	.	.	H	α-helix	trans	-60	-47.6	177.2	179.8	61.2	0	0	0	112.1	Y622 R628 L629 L630	Y622-L626 HydrophobicContact CE1-CD2 4.08Å; Y622-L626 WeakPolarHBondContact O-CB 3.49Å; Y622-L626 PolarHBondContact O-N 2.86Å; L626-R628 VanDerWaalsContact C-N 3.26Å; L626-R628 PolarHBondContact O-N 3.38Å; L626-L629 PolarHBondContact O-N 2.88Å; L626-L629 VanDerWaalsContact O-N 3.17Å; L626-L630 HydrophobicContact CD1-CD1 4.25Å; L626-L630 HydrophobicContact CD1-CG 4.29Å; L626-L630 HydrophobicContact CG-CD1 4.08Å; L626-L630 WeakPolarHBondContact O-CG 3.4Å; L626-L630 PolarHBondContact O-N 3.24Å
627	R	88.3	Confident	81.3	Confident	138 Å²	138	99.7 Å²	99.7	52%	0.521	47%	0.469	S	S	.	.	H	α-helix	trans	-59.3	-36	176.2	-74.1	172.2	179.3	169.7	1.6	112.2	L623 K631	L623-R627 HydrophobicContact CD1-CG 4.46Å; L623-R627 WeakPolarHBondContact O-CB 3.38Å; L623-R627 VanDerWaalsContact O-CG 3.24Å; L623-R627 WeakPolarHBondContact O-CG 3.33Å; L623-R627 PolarHBondContact O-N 3.06Å; R627-K631 WeakPolarHBondContact O-CB 3.36Å; R627-K631 PolarHBondContact O-N 3.23Å
628	R	89.6	Confident	82	Confident	165 Å²	165	100 Å²	100	62%	0.623	47%	0.468	S	S	*	.	H	α-helix	trans	-69.3	-41.5	174.9	-72.8	168.9	-175.6	-87.1	1.8	112.2	S624 S625 L626 K631 L632	S624-R628 WeakPolarHBondContact O-CD 3.2Å; S624-R628 WeakPolarHBondContact O-CG 3.45Å; S624-R628 PolarHBondContact O-N 3.16Å; S624-R628 VanDerWaalsContact O-N 3.16Å; S625-R628 WeakPolarHBondContact O-CB 3.31Å; S625-R628 PolarHBondContact O-N 2.82Å; L626-R628 VanDerWaalsContact C-N 3.26Å; L626-R628 PolarHBondContact O-N 3.38Å; R628-K631 PolarHBondContact O-N 2.93Å; R628-L632 PolarHBondContact O-N 3.25Å
629	L	89.6	Confident	82.3	Confident	40 Å²	40	97 Å²	97	21%	0.209	46%	0.457	C	S	.	.	H	α-helix	trans	-66.3	-38.2	176.5	-68.6	172.5	0	0	0	112.8	S625 L626 L632 Q633 I732 S733 L735	S625-L629 WeakPolarHBondContact O-CG 3.28Å; S625-L629 PolarHBondContact O-N 3.48Å; L626-L629 PolarHBondContact O-N 2.88Å; L626-L629 VanDerWaalsContact O-N 3.17Å; L629-L632 WeakPolarHBondContact O-CB 3.44Å; L629-L632 PolarHBondContact O-N 3.41Å; L629-Q633 PolarHBondContact O-N 2.95Å; L629-Q633 VanDerWaalsContact O-N 3.15Å; L629-I732 HydrophobicContact CD1-CG2 4.03Å; L629-I732 HydrophobicContact CD2-CG2 4.32Å; L629-S733 PolarHBondContact O-OG 2.91Å; L629-L735 HydrophobicContact CD2-CD1 3.56Å; L629-L735 HydrophobicContact CD2-CG 3.98Å
630	L	89.9	Confident	82.7	Confident	82 Å²	82	101.1 Å²	101.1	43%	0.429	47%	0.47	S	S	.	.	H	α-helix	trans	-66.6	-41.1	173.3	-70	170.3	0	0	0	111.4	L626 L632 Q633 F634	L626-L630 HydrophobicContact CD1-CD1 4.25Å; L626-L630 HydrophobicContact CD1-CG 4.29Å; L626-L630 HydrophobicContact CG-CD1 4.08Å; L626-L630 WeakPolarHBondContact O-CG 3.4Å; L626-L630 PolarHBondContact O-N 3.24Å; L630-L632 VanDerWaalsContact C-N 3.3Å; L630-L632 PolarHBondContact O-N 2.98Å; L630-Q633 WeakPolarHBondContact O-CB 3.45Å; L630-Q633 PolarHBondContact O-N 3.44Å; L630-F634 VanDerWaalsContact O-CD2 3.22Å; L630-F634 WeakPolarHBondContact O-CD2 3.37Å
631	K	90.4	Very high	83.3	Confident	161 Å²	161	103.4 Å²	103.4	70%	0.7	49%	0.486	S	S	*	.	H	α-helix	trans	-62.7	-37.6	173.1	-173.8	173.8	-178.9	176.8	0	112.2	R627 R628 Q633 F634 T635	R627-K631 WeakPolarHBondContact O-CB 3.36Å; R627-K631 PolarHBondContact O-N 3.23Å; R628-K631 PolarHBondContact O-N 2.93Å; K631-Q633 VanDerWaalsContact C-N 3.3Å; K631-Q633 PolarHBondContact O-N 3.27Å; K631-F634 PolarHBondContact O-N 3.15Å; K631-T635 PolarHBondContact O-OG1 3.4Å
632	L	88.2	Confident	83.9	Confident	61 Å²	61	103.7 Å²	103.7	32%	0.319	48%	0.48	S	S	.	.	H	α-helix	trans	-63.4	-35.2	176.4	-172.6	64.7	0	0	0	112	R628 L629 L630 F634 T635 L735	R628-L632 PolarHBondContact O-N 3.25Å; L629-L632 WeakPolarHBondContact O-CB 3.44Å; L629-L632 PolarHBondContact O-N 3.41Å; L630-L632 VanDerWaalsContact C-N 3.3Å; L630-L632 PolarHBondContact O-N 2.98Å; L632-F634 PolarHBondContact O-N 2.96Å; L632-T635 WeakPolarHBondContact O-CB 3.48Å; L632-T635 PolarHBondContact O-N 3.49Å; L632-L735 HydrophobicContact CD2-CD2 3.88Å; L632-L735 HydrophobicContact CD2-CG 3.88Å
633	Q	87.5	Confident	84.4	Confident	117 Å²	117	102 Å²	102	55%	0.547	47%	0.473	S	S	.	.	H	α-helix	trans	-58	-34.4	-179.6	-170.1	177.5	-23	0	0	113.5	L629 L630 K631 S733	L629-Q633 PolarHBondContact O-N 2.95Å; L629-Q633 VanDerWaalsContact O-N 3.15Å; L630-Q633 WeakPolarHBondContact O-CB 3.45Å; L630-Q633 PolarHBondContact O-N 3.44Å; K631-Q633 VanDerWaalsContact C-N 3.3Å; K631-Q633 PolarHBondContact O-N 3.27Å; Q633-S733 WeakPolarHBondContact CA-OG 3.31Å; Q633-S733 WeakPolarHBondContact CB-OG 3.34Å; Q633-S733 PolarHBondContact N-OG 3.32Å
634	F	86.8	Confident	85.1	Confident	170 Å²	170	100.4 Å²	100.4	75%	0.746	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	2.8	-179.8	-56.4	-72.4	0	0	0	113.4	L630 K631 L632	L630-F634 VanDerWaalsContact O-CD2 3.22Å; L630-F634 WeakPolarHBondContact O-CD2 3.37Å; K631-F634 PolarHBondContact O-N 3.15Å; L632-F634 PolarHBondContact O-N 2.96Å
635	T	84.7	Confident	85.5	Confident	83 Å²	83	99.3 Å²	99.3	51%	0.509	45%	0.453	S	S	.	.	S	Bend	trans	-87.8	126	178.9	-57	0	0	0	0	109.4	K631 L632	K631-T635 PolarHBondContact O-OG1 3.4Å; L632-T635 WeakPolarHBondContact O-CB 3.48Å; L632-T635 PolarHBondContact O-N 3.49Å
636	R	81.4	Confident	86	Confident	234 Å²	234	97.4 Å²	97.4	88%	0.883	44%	0.44	S	S	*	.	P	Polyproline II helix	trans	-67.3	135.2	176.8	-65.4	-176.3	-179.5	-176.2	-0.9	110.7
637	E	76.2	Confident	86.5	Confident	173 Å²	173	94.6 Å²	94.6	81%	0.808	43%	0.425	S	S	*	.	P	Polyproline II helix	trans	-66.2	143.3	170.5	-64.1	-179.9	177.3	0	0	110.3
638	H	79.2	Confident	86.8	Confident	103 Å²	103	88 Å²	88	48%	0.477	40%	0.4	S	S	.	.			trans	-146.2	144	-179.2	-172.5	-69.7	0	0	0	109.5	K640 T641 Y642	H638-K640 PolarHBondContact ND1-N 3.24Å; H638-K640 VanDerWaalsContact ND1-N 3.17Å; H638-K640 PolarHBondContact O-N 3.41Å; H638-T641 PolarHBondContact O-N 2.68Å; H638-T641 PolarHBondContact O-OG1 3.16Å; H638-Y642 PolarHBondContact O-N 3.07Å
639	V	75.3	Confident	87.1	Confident	43 Å²	43	81.2 Å²	81.2	26%	0.261	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-57.8	-47.7	-174.7	-175.8	0	0	0	0	112.2	T641 Y642 S1143 V1144 T1146	V639-T641 PolarHBondContact O-N 3.03Å; V639-Y642 WeakPolarHBondContact O-CB 3.4Å; V639-Y642 PolarHBondContact O-N 3.48Å; V639-S1143 WeakPolarHBondContact CG1-O 3.46Å; V639-S1143 WeakPolarHBondContact CG2-O 3.41Å; V639-V1144 VanDerWaalsContact CG1-C 3.42Å; V639-T1146 HydrophobicContact CB-CG2 3.87Å; V639-T1146 HydrophobicContact CG1-CG2 3.75Å; V639-T1146 HydrophobicContact CG2-CG2 4.03Å
640	K	77.8	Confident	87.1	Confident	112 Å²	112	79.3 Å²	79.3	49%	0.487	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-53.1	-20.4	172.4	-64.1	178.5	175.2	-178.3	0	115.9	H638 Q1148	H638-K640 PolarHBondContact ND1-N 3.24Å; H638-K640 VanDerWaalsContact ND1-N 3.17Å; H638-K640 PolarHBondContact O-N 3.41Å; K640-Q1148 VanDerWaalsContact NZ-CD 3.28Å
641	T	82.4	Confident	87	Confident	88 Å²	88	76.5 Å²	76.5	54%	0.54	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-104.4	3.9	176.4	57.2	0	0	0	0	113.5	H638 V639	H638-T641 PolarHBondContact O-N 2.68Å; H638-T641 PolarHBondContact O-OG1 3.16Å; V639-T641 PolarHBondContact O-N 3.03Å
642	Y	85.7	Confident	86.7	Confident	48 Å²	48	69 Å²	69	19%	0.188	33%	0.325	C	S	.	.			trans	-54.5	142.8	176.1	-174.9	-94	0	0	0	112	H638 V639 N738 L973 L976 V1144	H638-Y642 PolarHBondContact O-N 3.07Å; V639-Y642 WeakPolarHBondContact O-CB 3.4Å; V639-Y642 PolarHBondContact O-N 3.48Å; Y642-N738 WeakPolarHBondContact CE2-ND2 3.28Å; Y642-L973 HydrophobicContact CE1-CD1 4.43Å; Y642-L976 HydrophobicContact CD1-CD2 3.73Å; Y642-L976 HydrophobicContact CE1-CD2 3.8Å; Y642-V1144 HydrophobicContact CD1-CB 3.68Å; Y642-V1144 HydrophobicContact CD1-CG1 3.85Å; Y642-V1144 HydrophobicContact CD2-CB 4.44Å; Y642-V1144 HydrophobicContact CD2-CG1 3.96Å; Y642-V1144 HydrophobicContact CE1-CB 3.78Å; Y642-V1144 HydrophobicContact CE1-CG1 3.56Å; Y642-V1144 HydrophobicContact CE2-CG1 3.68Å; Y642-V1144 HydrophobicContact CG-CB 4.02Å; Y642-V1144 HydrophobicContact CG-CG1 4.04Å; Y642-V1144 VanDerWaalsContact CZ-CG1 3.46Å
643	R	87.8	Confident	86.6	Confident	128 Å²	128	66.1 Å²	66.1	48%	0.483	31%	0.31	S	S	.	.			trans	-141.1	136.9	175.6	-65.7	-64.8	-179.4	-93.5	5.2	108.4	Q645 C671 N738	R643-Q645 PolarHBondContact O-N 2.9Å; R643-Q645 VanDerWaalsContact O-N 3.08Å; R643-C671 HydrophobicContact CB-CB 4.47Å; R643-N738 PolarHBondContact O-ND2 3.27Å
644	P	90.8	Very high	86.4	Confident	3 Å²	3	61.2 Å²	61.2	2%	0.019	29%	0.287	C	S	.	.			trans	-69.4	104.4	172.9	28.8	-35.1	0	0	0	110.2	I666 C671 I739 L977 L980	P644-I666 HydrophobicContact CG-CG2 4.23Å; P644-C671 WeakPolarHBondContact O-CB 3.4Å; P644-I739 HydrophobicContact CB-CD1 3.5Å; P644-L977 HydrophobicContact CB-CD2 4.07Å; P644-L980 HydrophobicContact CG-CD1 3.58Å
645	Q	92.5	Very high	86.2	Confident	35 Å²	35	56 Å²	56	16%	0.164	26%	0.263	C	S	.	.			trans	-99.1	103.4	178.4	-65.1	166.4	-52.4	0	0	107.5	R643 L672 G734 K736 P737 N738 I739	R643-Q645 PolarHBondContact O-N 2.9Å; R643-Q645 VanDerWaalsContact O-N 3.08Å; Q645-L672 CarbonylContact C-O 3.34Å; Q645-L672 WeakPolarHBondContact CA-O 3.48Å; Q645-L672 HydrophobicContact CB-CB 4.01Å; Q645-L672 HydrophobicContact CB-CD2 4.42Å; Q645-L672 HydrophobicContact CG-CB 3.96Å; Q645-G734 PolarHBondContact NE2-O 3.02Å; Q645-G734 VanDerWaalsContact NE2-O 3.11Å; Q645-K736 VanDerWaalsContact CB-O 3.32Å; Q645-K736 WeakPolarHBondContact CB-O 3.37Å; Q645-K736 PolarHBondContact OE1-O 2.86Å; Q645-P737 CarbonylContact O-C 3.43Å; Q645-P737 VanDerWaalsContact O-CA 3.27Å; Q645-P737 WeakPolarHBondContact O-CA 3.4Å; Q645-N738 PolarHBondContact N-OD1 2.73Å; Q645-N738 PolarHBondContact O-N 3.4Å; Q645-N738 PolarHBondContact O-OD1 3.48Å; Q645-N738 PolarHBondContact OE1-ND2 3.06Å; Q645-I739 PolarHBondContact O-N 3.44Å
646	I	95.2	Very high	86.2	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	125.7	-165.4	-61.9	178.7	0	0	0	111.3	L648 I666 T667 L672 L673 V674 I739 F741	I646-L648 HydrophobicContact CG2-CB 4.16Å; I646-I666 HydrophobicContact CD1-CB 4.27Å; I646-I666 HydrophobicContact CD1-CD1 4.43Å; I646-I666 HydrophobicContact CD1-CG2 4.02Å; I646-T667 HydrophobicContact CB-CG2 4.48Å; I646-T667 HydrophobicContact CD1-CG2 3.85Å; I646-T667 HydrophobicContact CG1-CG2 4.21Å; I646-L672 PolarHBondContact N-O 3.06Å; I646-L673 HydrophobicContact CB-CD1 3.96Å; I646-L673 HydrophobicContact CG2-CD1 3.92Å; I646-V674 PolarHBondContact O-N 3.18Å; I646-I739 HydrophobicContact CG1-CB 4.38Å; I646-I739 HydrophobicContact CG1-CD1 4.44Å; I646-F741 HydrophobicContact CD1-CD2 4.26Å; I646-F741 HydrophobicContact CG2-CB 3.57Å; I646-F741 HydrophobicContact CG2-CD2 4.16Å; I646-F741 HydrophobicContact CG2-CG 4.19Å
647	L	96.4	Very high	86.5	Confident	2 Å²	2	45.2 Å²	45.2	1%	0.01	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	105.8	158.8	175.3	61.7	0	0	0	107.9	L649 V674 L726 L727 P737 I739 L740 F741	L647-L649 HydrophobicContact CD1-CD2 4.5Å; L647-L649 HydrophobicContact CG-CD2 4.25Å; L647-V674 HydrophobicContact CD1-CB 4.13Å; L647-V674 HydrophobicContact CD1-CG1 3.96Å; L647-L726 HydrophobicContact CD2-CB 4.14Å; L647-L727 HydrophobicContact CD2-CD2 4.07Å; L647-L727 HydrophobicContact CD2-CG 4.38Å; L647-P737 HydrophobicContact CB-CB 3.57Å; L647-P737 HydrophobicContact CB-CG 3.86Å; L647-I739 PolarHBondContact N-O 3.31Å; L647-L740 HydrophobicContact CD2-CD1 4.18Å; L647-L740 HydrophobicContact CG-CD1 4.31Å; L647-F741 PolarHBondContact O-N 2.92Å
648	L	96.1	Very high	86.9	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	112.2	-178.2	-169.9	69.7	0	0	0	109.3	I646 T650 L659 V660 A663 L673 V674 G676 F741	I646-L648 HydrophobicContact CG2-CB 4.16Å; L648-T650 VanDerWaalsContact C-N 3.32Å; L648-T650 HydrophobicContact CB-CG2 4.23Å; L648-T650 HydrophobicContact CD2-CG2 3.41Å; L648-T650 VanDerWaalsContact CD2-CG2 3.41Å; L648-T650 HydrophobicContact CG-CG2 3.61Å; L648-T650 PolarHBondContact O-N 3.37Å; L648-L659 HydrophobicContact CD1-CD1 3.95Å; L648-L659 HydrophobicContact CD1-CD2 4.37Å; L648-L659 HydrophobicContact CD1-CG 3.84Å; L648-L659 HydrophobicContact CD2-CG 4.27Å; L648-L659 HydrophobicContact CG-CG 4.19Å; L648-V660 HydrophobicContact CD2-CG2 4.42Å; L648-A663 HydrophobicContact CD1-CB 3.97Å; L648-A663 HydrophobicContact CD2-CB 3.68Å; L648-A663 HydrophobicContact CG-CB 4.37Å; L648-L673 HydrophobicContact CB-CD1 4.11Å; L648-L673 HydrophobicContact CD2-CD1 4.43Å; L648-V674 PolarHBondContact N-O 3.15Å; L648-G676 PolarHBondContact O-N 3.5Å; L648-F741 WeakPolarHBondContact CA-O 3.25Å; L648-F741 HydrophobicContact CD1-CB 3.67Å; L648-F741 HydrophobicContact CD1-CD1 3.31Å; L648-F741 HydrophobicContact CD1-CD2 4.49Å; L648-F741 HydrophobicContact CD1-CE1 4.1Å; L648-F741 HydrophobicContact CD1-CG 3.57Å
649	L	95.2	Very high	87.5	Confident	22 Å²	22	32.7 Å²	32.7	12%	0.115	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	85.2	173.9	-61.3	-166.9	0	0	0	109.7	L647 V723 L726 L740 F741 L742 I762	L647-L649 HydrophobicContact CD1-CD2 4.5Å; L647-L649 HydrophobicContact CG-CD2 4.25Å; L649-V723 HydrophobicContact CD1-CB 4.36Å; L649-V723 HydrophobicContact CD1-CG1 3.86Å; L649-V723 HydrophobicContact CD1-CG2 3.49Å; L649-V723 VanDerWaalsContact CD1-CG2 3.49Å; L649-V723 HydrophobicContact CD2-CG2 4.44Å; L649-L726 HydrophobicContact CD2-CD1 3.85Å; L649-L740 HydrophobicContact CD1-CD1 4.01Å; L649-L740 HydrophobicContact CD2-CD1 4.35Å; L649-L740 HydrophobicContact CG-CD1 3.82Å; L649-F741 PolarHBondContact N-O 2.96Å; L649-L742 HydrophobicContact CB-CD2 3.93Å; L649-L742 HydrophobicContact CD1-CD2 3.55Å; L649-L742 HydrophobicContact CG-CD2 3.83Å; L649-I762 HydrophobicContact CD1-CG2 4.06Å
650	T	89.2	Confident	88.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.142	C	C	.	.			trans	-78.9	-29.4	-176.8	50.2	0	0	0	0	112.6	L648 R656 V660 C675 G676	L648-T650 VanDerWaalsContact C-N 3.32Å; L648-T650 HydrophobicContact CB-CG2 4.23Å; L648-T650 HydrophobicContact CD2-CG2 3.41Å; L648-T650 VanDerWaalsContact CD2-CG2 3.41Å; L648-T650 HydrophobicContact CG-CG2 3.61Å; L648-T650 PolarHBondContact O-N 3.37Å; T650-R656 WeakPolarHBondContact O-CD 3.3Å; T650-V660 HydrophobicContact CG2-CG2 3.73Å; T650-C675 HydrophobicContact CG2-CB 4.11Å; T650-G676 PolarHBondContact N-O 3.11Å; T650-G676 VanDerWaalsContact N-O 3.12Å; T650-G676 PolarHBondContact OG1-O 3.21Å
651	G	87.2	Confident	88.9	Confident	22 Å²	22	25.4 Å²	25.4	23%	0.227	12%	0.12	C	C	.	.	S	Bend	trans	62	-141.3	-149.8	0	0	0	0	0	108.5	P653 G676 H677	G651-P653 VanDerWaalsContact O-CD 3.3Å; G651-P653 WeakPolarHBondContact O-CD 3.49Å; G651-G676 PolarHBondContact N-O 2.96Å; G651-H677 VanDerWaalsContact C-CG 3.41Å; G651-H677 VanDerWaalsContact CA-CD2 3.45Å; G651-H677 WeakPolarHBondContact CA-CD2 3.3Å; G651-H677 WeakPolarHBondContact O-CB 3.31Å
652	S	86	Confident	89.3	Confident	5 Å²	5	21.2 Å²	21.2	4%	0.035	9%	0.094	C	C	.	.	S	Bend	trans	-61.1	123.3	168.7	171.6	0	0	0	0	112	I654 R655 R656 H677 Y694 E913	S652-I654 PolarHBondContact O-N 2.97Å; S652-I654 PolarHBondContact OG-N 3.44Å; S652-I654 VanDerWaalsContact OG-N 3.17Å; S652-R655 PolarHBondContact O-N 3.16Å; S652-R656 PolarHBondContact O-N 3.33Å; S652-H677 PolarHBondContact N-NE2 2.87Å; S652-Y694 PolarHBondContact OG-OH 2.75Å; S652-E913 WeakPolarHBondContact CB-OE2 3.24Å; S652-E913 PolarHBondContact OG-OE2 3.22Å
653	P	85	Confident	89.7	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-22.6	173.5	-24	35.5	0	0	0	113.8	G651 P657 V660 M698 W701 Y711	G651-P653 VanDerWaalsContact O-CD 3.3Å; G651-P653 WeakPolarHBondContact O-CD 3.49Å; P653-P657 WeakPolarHBondContact O-CA 3.43Å; P653-V660 HydrophobicContact CB-CG2 4.2Å; P653-M698 HydrophobicContact CG-SD 4.44Å; P653-W701 HydrophobicContact CB-CE3 4.36Å; P653-W701 HydrophobicContact CB-CH2 4.18Å; P653-W701 HydrophobicContact CB-CZ3 3.82Å; P653-W701 WeakPolarHBondContact O-CH2 3.34Å; P653-Y711 HydrophobicContact CG-CD2 3.9Å; P653-Y711 HydrophobicContact CG-CE2 3.86Å
654	I	83.1	Confident	89.8	Confident	14 Å²	14	13.8 Å²	13.8	7%	0.072	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-40	178.7	-63.7	161.1	0	0	0	111	S652 P657 M698 W701 L788 E913	S652-I654 PolarHBondContact O-N 2.97Å; S652-I654 PolarHBondContact OG-N 3.44Å; S652-I654 VanDerWaalsContact OG-N 3.17Å; I654-P657 WeakPolarHBondContact O-CD 3.48Å; I654-M698 HydrophobicContact CD1-CE 3.53Å; I654-M698 HydrophobicContact CD1-SD 3.85Å; I654-M698 HydrophobicContact CG1-CE 4.44Å; I654-M698 HydrophobicContact CG1-SD 4.18Å; I654-W701 HydrophobicContact CG1-CD2 4.47Å; I654-W701 HydrophobicContact CG1-CZ2 4.34Å; I654-L788 HydrophobicContact CG2-CD1 4.12Å; I654-E913 HydrophobicContact CD1-CB 4.41Å
655	R	82.2	Confident	89.8	Confident	61 Å²	61	14.6 Å²	14.6	23%	0.23	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-33.3	179.1	-65	-175.5	-164.2	-157	5.3	112.5	S652 P657 I784 S785 D909 E913	S652-R655 PolarHBondContact O-N 3.16Å; R655-P657 VanDerWaalsContact C-CD 3.45Å; R655-P657 WeakPolarHBondContact O-CD 3.48Å; R655-I784 PolarHBondContact O-N 2.91Å; R655-I784 VanDerWaalsContact O-N 3.08Å; R655-S785 WeakPolarHBondContact CD-OG 3.48Å; R655-D909 IonicContact CZ-OD2 2.7Å; R655-D909 IonicContact NH1-OD2 2.71Å; R655-D909 IonicContact NH2-OD2 3.16Å; R655-D909 PolarHBondContact NH2-OD2 3.29Å; R655-E913 IonicContact CZ-OE1 2.73Å; R655-E913 IonicContact NE-OE1 2.63Å; R655-E913 PolarHBondContact NE-OE1 2.82Å; R655-E913 IonicContact NH2-OE1 3.44Å; R655-E913 PolarHBondContact NH2-OE1 3.46Å
656	R	86.1	Confident	89.8	Confident	85 Å²	85	13 Å²	13	32%	0.321	7%	0.065	S	C	.	.			trans	-125.5	57.6	-175.5	-57.3	-173.3	-172.9	152.3	0.6	113.6	T650 S652 E658 L659 F782 D783	T650-R656 WeakPolarHBondContact O-CD 3.3Å; S652-R656 PolarHBondContact O-N 3.33Å; R656-E658 VanDerWaalsContact C-N 3.26Å; R656-E658 PolarHBondContact O-N 2.95Å; R656-L659 HydrophobicContact CB-CB 4.42Å; R656-L659 PolarHBondContact O-N 3.21Å; R656-F782 HydrophobicContact CB-CB 4.3Å; R656-F782 HydrophobicContact CG-CB 4.01Å; R656-D783 IonicContact NE-OD2 2.72Å; R656-D783 IonicContact NH2-OD2 3.18Å
657	P	86.5	Confident	89.6	Confident	4 Å²	4	13 Å²	13	3%	0.026	7%	0.065	C	C	.	.	H	α-helix	trans	-69.2	-23.1	-171.4	30	-35.5	0	0	0	113.5	P653 I654 R655 D661 W701 I784 L950	P653-P657 WeakPolarHBondContact O-CA 3.43Å; I654-P657 WeakPolarHBondContact O-CD 3.48Å; R655-P657 VanDerWaalsContact C-CD 3.45Å; R655-P657 WeakPolarHBondContact O-CD 3.48Å; P657-D661 WeakPolarHBondContact O-CB 3.2Å; P657-D661 PolarHBondContact O-N 3.45Å; P657-W701 HydrophobicContact CB-CH2 4.09Å; P657-W701 HydrophobicContact CB-CZ2 4.24Å; P657-I784 HydrophobicContact CG-CD1 3.61Å; P657-L950 HydrophobicContact CG-CD2 3.88Å
658	E	86.1	Confident	88.9	Confident	13 Å²	13	14.3 Å²	14.3	6%	0.061	7%	0.071	C	C	.	.	H	α-helix	trans	-70.6	-37.7	179	-63.8	-178.2	-156.4	0	0	111.8	R656 V660 D661 F662 L778 Q949 L950 F953	R656-E658 VanDerWaalsContact C-N 3.26Å; R656-E658 PolarHBondContact O-N 2.95Å; E658-V660 VanDerWaalsContact C-N 3.35Å; E658-V660 PolarHBondContact O-N 3.21Å; E658-D661 PolarHBondContact O-N 3.21Å; E658-F662 PolarHBondContact O-N 2.77Å; E658-L778 HydrophobicContact CB-CD1 4.32Å; E658-L778 VanDerWaalsContact OE2-CD1 3.22Å; E658-L778 WeakPolarHBondContact OE2-CD1 3.4Å; E658-Q949 WeakPolarHBondContact OE1-CB 3.27Å; E658-L950 PolarHBondContact OE1-N 3.48Å; E658-F953 HydrophobicContact CB-CD2 4.21Å; E658-F953 HydrophobicContact CB-CE2 4.22Å; E658-F953 VanDerWaalsContact O-CD2 3.28Å; E658-F953 WeakPolarHBondContact O-CD2 3.32Å
659	L	90.7	Very high	88.2	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.2	-42.1	175.4	-176	61.3	0	0	0	111.1	L648 R656 A663 F741 L776 F782	L648-L659 HydrophobicContact CD1-CD1 3.95Å; L648-L659 HydrophobicContact CD1-CD2 4.37Å; L648-L659 HydrophobicContact CD1-CG 3.84Å; L648-L659 HydrophobicContact CD2-CG 4.27Å; L648-L659 HydrophobicContact CG-CG 4.19Å; R656-L659 HydrophobicContact CB-CB 4.42Å; R656-L659 PolarHBondContact O-N 3.21Å; L659-A663 PolarHBondContact O-N 3.46Å; L659-A663 VanDerWaalsContact O-N 3.12Å; L659-F741 HydrophobicContact CD1-CD1 3.99Å; L659-F741 HydrophobicContact CD1-CE1 3.67Å; L659-L776 HydrophobicContact CD1-CB 4.39Å; L659-L776 HydrophobicContact CD1-CD2 4.17Å; L659-F782 HydrophobicContact CB-CD1 4.11Å; L659-F782 HydrophobicContact CB-CE1 4.4Å; L659-F782 HydrophobicContact CD1-CE1 4.33Å
660	V	91.4	Very high	87.7	Confident	0 Å²	0	21 Å²	21	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64.2	-43.6	173.9	-168.5	0	0	0	0	111.4	L648 T650 P653 E658 S664 L702 I707	L648-V660 HydrophobicContact CD2-CG2 4.42Å; T650-V660 HydrophobicContact CG2-CG2 3.73Å; P653-V660 HydrophobicContact CB-CG2 4.2Å; E658-V660 VanDerWaalsContact C-N 3.35Å; E658-V660 PolarHBondContact O-N 3.21Å; V660-S664 VanDerWaalsContact O-CB 3.32Å; V660-S664 WeakPolarHBondContact O-CB 3.43Å; V660-S664 PolarHBondContact O-N 3.29Å; V660-L702 HydrophobicContact CG1-CD2 4.26Å; V660-I707 HydrophobicContact CG1-CD1 3.85Å; V660-I707 HydrophobicContact CG1-CG2 4.01Å
661	D	90.3	Very high	87.6	Confident	3 Å²	3	21.9 Å²	21.9	2%	0.016	12%	0.119	C	C	.	.	H	α-helix	trans	-65.9	-39.2	-179.9	-71.5	-14.3	0	0	0	111.8	P657 E658 S664 N665 R705 I707 F953 K954	P657-D661 WeakPolarHBondContact O-CB 3.2Å; P657-D661 PolarHBondContact O-N 3.45Å; E658-D661 PolarHBondContact O-N 3.21Å; D661-S664 PolarHBondContact O-N 3.01Å; D661-N665 PolarHBondContact O-N 3.48Å; D661-N665 VanDerWaalsContact O-N 3.15Å; D661-N665 PolarHBondContact O-ND2 3.46Å; D661-R705 IonicContact OD1-CZ 3.54Å; D661-R705 IonicContact OD1-NH1 2.74Å; D661-R705 PolarHBondContact OD1-NH1 2.97Å; D661-R705 IonicContact OD1-NH2 2.74Å; D661-R705 PolarHBondContact OD1-NH2 2.99Å; D661-R705 IonicContact OD2-CZ 3.45Å; D661-R705 IonicContact OD2-NH1 2.67Å; D661-R705 PolarHBondContact OD2-NH1 3.4Å; D661-R705 IonicContact OD2-NH2 3.36Å; D661-R705 PolarHBondContact OD2-NH2 3.44Å; D661-I707 VanDerWaalsContact OD1-CD1 3.25Å; D661-I707 WeakPolarHBondContact OD1-CD1 3.48Å; D661-F953 HydrophobicContact CB-CB 4.12Å; D661-K954 VanDerWaalsContact CG-CE 3.43Å; D661-K954 VanDerWaalsContact OD1-CE 3.27Å; D661-K954 WeakPolarHBondContact OD1-CE 3.37Å; D661-K954 IonicContact OD1-NZ 2.81Å; D661-K954 PolarHBondContact OD1-NZ 2.89Å; D661-K954 VanDerWaalsContact OD2-CE 3.26Å; D661-K954 WeakPolarHBondContact OD2-CE 3.26Å; D661-K954 IonicContact OD2-NZ 2.65Å; D661-K954 PolarHBondContact OD2-NZ 2.74Å
662	F	92.2	Very high	87.9	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-64	-50.7	175.1	-171.8	-95.3	0	0	0	111.9	E658 S664 N665 I666 F741 L776 F953 L981 Y987 L1102 L1135	E658-F662 PolarHBondContact O-N 2.77Å; F662-S664 VanDerWaalsContact C-N 3.28Å; F662-S664 PolarHBondContact O-N 3.07Å; F662-N665 WeakPolarHBondContact O-CB 3.28Å; F662-N665 PolarHBondContact O-N 3.17Å; F662-I666 HydrophobicContact CD1-CD1 4.07Å; F662-I666 HydrophobicContact CE1-CD1 3.71Å; F662-I666 HydrophobicContact CE1-CG1 4.5Å; F662-I666 PolarHBondContact O-N 2.84Å; F662-F741 HydrophobicContact CD1-CE2 4.23Å; F662-F741 AromaticContact CD1-CZ 3.61Å; F662-F741 HydrophobicContact CD1-CZ 3.61Å; F662-F741 HydrophobicContact CE1-CE2 4.18Å; F662-F741 AromaticContact CE1-CZ 3.71Å; F662-F741 HydrophobicContact CE1-CZ 3.71Å; F662-L776 HydrophobicContact CB-CD2 3.93Å; F662-L776 HydrophobicContact CD1-CD1 4.33Å; F662-L776 HydrophobicContact CD1-CD2 3.82Å; F662-L776 HydrophobicContact CD2-CD1 4.46Å; F662-L776 HydrophobicContact CD2-CD2 4.22Å; F662-L776 HydrophobicContact CE1-CD1 4.04Å; F662-L776 HydrophobicContact CE1-CD2 4.36Å; F662-L776 HydrophobicContact CE2-CD1 4.18Å; F662-L776 HydrophobicContact CG-CD2 3.72Å; F662-L776 HydrophobicContact CZ-CD1 3.96Å; F662-F953 HydrophobicContact CB-CD2 3.78Å; F662-F953 HydrophobicContact CB-CE2 3.83Å; F662-F953 HydrophobicContact CB-CG 4.23Å; F662-F953 HydrophobicContact CB-CZ 4.31Å; F662-F953 AromaticContact CD2-CD1 3.83Å; F662-F953 HydrophobicContact CD2-CD1 3.83Å; F662-F953 HydrophobicContact CD2-CD2 4.26Å; F662-F953 AromaticContact CD2-CE1 3.55Å; F662-F953 HydrophobicContact CD2-CE1 3.55Å; F662-F953 AromaticContact CD2-CE2 4Å; F662-F953 HydrophobicContact CD2-CE2 4Å; F662-F953 HydrophobicContact CD2-CG 4.15Å; F662-F953 AromaticContact CD2-CZ 3.6Å; F662-F953 HydrophobicContact CD2-CZ 3.6Å; F662-F953 HydrophobicContact CE2-CE1 4.11Å; F662-F953 HydrophobicContact CE2-CZ 4.34Å; F662-F953 HydrophobicContact CG-CE2 4.31Å; F662-F953 HydrophobicContact CG-CZ 4.3Å; F662-L981 HydrophobicContact CE2-CD1 4.25Å; F662-L981 HydrophobicContact CZ-CD1 3.97Å; F662-Y987 HydrophobicContact CD2-CE1 4.18Å; F662-Y987 HydrophobicContact CE2-CE1 4.22Å; F662-Y987 WeakPolarHBondContact CE2-OH 3.41Å; F662-L1102 HydrophobicContact CE2-CD1 4.03Å; F662-L1102 HydrophobicContact CE2-CD2 4.26Å; F662-L1102 HydrophobicContact CZ-CD1 4.07Å; F662-L1102 HydrophobicContact CZ-CD2 4.17Å; F662-L1135 HydrophobicContact CE1-CD1 3.98Å; F662-L1135 HydrophobicContact CE1-CD2 4.06Å; F662-L1135 HydrophobicContact CZ-CD1 4.5Å; F662-L1135 HydrophobicContact CZ-CD2 4.15Å
663	A	93	Very high	88.3	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60.8	-37.5	178.1	0	0	0	0	0	112.2	L648 L659 N665 I666 T667 L673	L648-A663 HydrophobicContact CD1-CB 3.97Å; L648-A663 HydrophobicContact CD2-CB 3.68Å; L648-A663 HydrophobicContact CG-CB 4.37Å; L659-A663 PolarHBondContact O-N 3.46Å; L659-A663 VanDerWaalsContact O-N 3.12Å; A663-N665 VanDerWaalsContact C-N 3.28Å; A663-N665 PolarHBondContact O-N 3.2Å; A663-I666 WeakPolarHBondContact O-CB 3.42Å; A663-I666 PolarHBondContact O-N 3.29Å; A663-I666 VanDerWaalsContact O-N 3.11Å; A663-T667 PolarHBondContact O-N 2.83Å; A663-T667 PolarHBondContact O-OG1 3.21Å; A663-L673 HydrophobicContact CB-CD1 3.82Å; A663-L673 HydrophobicContact CB-CD2 4.22Å
664	S	91.7	Very high	88.7	Confident	20 Å²	20	22 Å²	22	14%	0.14	11%	0.114	C	C	.	.	H	α-helix	trans	-65.1	-28.1	174.8	-171.1	0	0	0	0	113.5	V660 D661 F662 I666 K668	V660-S664 VanDerWaalsContact O-CB 3.32Å; V660-S664 WeakPolarHBondContact O-CB 3.43Å; V660-S664 PolarHBondContact O-N 3.29Å; D661-S664 PolarHBondContact O-N 3.01Å; F662-S664 VanDerWaalsContact C-N 3.28Å; F662-S664 PolarHBondContact O-N 3.07Å; S664-I666 VanDerWaalsContact C-N 3.32Å; S664-K668 PolarHBondContact O-N 3.36Å; S664-K668 VanDerWaalsContact O-N 3.12Å
665	N	90.8	Very high	89.3	Confident	20 Å²	20	21.3 Å²	21.3	11%	0.107	11%	0.111	C	C	.	.	H	α-helix	trans	-72.9	-24.5	173.2	-83.6	-84.5	0	0	0	112.5	D661 F662 A663 K668 F953 L981 S986 Y987	D661-N665 PolarHBondContact O-N 3.48Å; D661-N665 VanDerWaalsContact O-N 3.15Å; D661-N665 PolarHBondContact O-ND2 3.46Å; F662-N665 WeakPolarHBondContact O-CB 3.28Å; F662-N665 PolarHBondContact O-N 3.17Å; A663-N665 VanDerWaalsContact C-N 3.28Å; A663-N665 PolarHBondContact O-N 3.2Å; N665-K668 WeakPolarHBondContact O-CE 3.29Å; N665-K668 WeakPolarHBondContact O-CG 3.27Å; N665-F953 PolarHBondContact ND2-O 3.38Å; N665-L981 HydrophobicContact CB-CD2 3.89Å; N665-S986 WeakPolarHBondContact OD1-CA 3.31Å; N665-Y987 HydrophobicContact CB-CD1 4.12Å; N665-Y987 PolarHBondContact OD1-N 3.17Å
666	I	91.5	Very high	89.9	Confident	2 Å²	2	18.4 Å²	18.4	1%	0.01	10%	0.1	C	C	.	.	H	α-helix	trans	-79.3	-48.9	173.5	-61.6	172.6	0	0	0	110.3	P644 I646 F662 A663 S664 F741 L977 L980 L981	P644-I666 HydrophobicContact CG-CG2 4.23Å; I646-I666 HydrophobicContact CD1-CB 4.27Å; I646-I666 HydrophobicContact CD1-CD1 4.43Å; I646-I666 HydrophobicContact CD1-CG2 4.02Å; F662-I666 HydrophobicContact CD1-CD1 4.07Å; F662-I666 HydrophobicContact CE1-CD1 3.71Å; F662-I666 HydrophobicContact CE1-CG1 4.5Å; F662-I666 PolarHBondContact O-N 2.84Å; A663-I666 WeakPolarHBondContact O-CB 3.42Å; A663-I666 PolarHBondContact O-N 3.29Å; A663-I666 VanDerWaalsContact O-N 3.11Å; S664-I666 VanDerWaalsContact C-N 3.32Å; I666-F741 HydrophobicContact CD1-CE2 3.95Å; I666-L977 HydrophobicContact CG2-CD2 3.86Å; I666-L980 HydrophobicContact CG2-CD1 4.5Å; I666-L981 HydrophobicContact CG1-CD1 4.46Å; I666-L981 HydrophobicContact CG1-CD2 3.87Å; I666-L981 HydrophobicContact CG1-CG 4.18Å
667	T	90.2	Very high	90.2	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-79.9	-23.7	-171.8	61.6	0	0	0	0	114.6	I646 A663 N669 S670 C671 L673	I646-T667 HydrophobicContact CB-CG2 4.48Å; I646-T667 HydrophobicContact CD1-CG2 3.85Å; I646-T667 HydrophobicContact CG1-CG2 4.21Å; A663-T667 PolarHBondContact O-N 2.83Å; A663-T667 PolarHBondContact O-OG1 3.21Å; T667-N669 PolarHBondContact O-N 3.2Å; T667-S670 PolarHBondContact O-N 2.98Å; T667-S670 PolarHBondContact O-OG 3.42Å; T667-S670 VanDerWaalsContact O-OG 3.09Å; T667-C671 HydrophobicContact CG2-CB 4.13Å; T667-C671 PolarHBondContact O-N 3.35Å; T667-L673 HydrophobicContact CG2-CB 4.08Å
668	K	82.8	Confident	90.6	Very high	30 Å²	30	16.4 Å²	16.4	13%	0.13	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	28.1	168.6	-60.2	-176.7	172.1	-174.9	0	116.2	S664 N665 S670 L980 I983 D984	S664-K668 PolarHBondContact O-N 3.36Å; S664-K668 VanDerWaalsContact O-N 3.12Å; N665-K668 WeakPolarHBondContact O-CE 3.29Å; N665-K668 WeakPolarHBondContact O-CG 3.27Å; K668-S670 PolarHBondContact O-N 3.11Å; K668-L980 WeakPolarHBondContact CE-O 3.23Å; K668-L980 PolarHBondContact NZ-O 2.96Å; K668-I983 PolarHBondContact NZ-O 3.41Å; K668-D984 WeakPolarHBondContact CE-O 3.23Å; K668-D984 PolarHBondContact NZ-O 3.04Å
669	N	81.7	Confident	90.8	Very high	80 Å²	80	16.1 Å²	16.1	43%	0.428	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	6.9	-173.6	-37.7	-19.6	0	0	0	114.6	T667 Y708	T667-N669 PolarHBondContact O-N 3.2Å; N669-Y708 HydrophobicContact CB-CD2 4.2Å; N669-Y708 HydrophobicContact CB-CG 4.14Å; N669-Y708 VanDerWaalsContact ND2-CD2 3.27Å; N669-Y708 WeakPolarHBondContact ND2-CD2 3.24Å; N669-Y708 VanDerWaalsContact ND2-CE2 3.27Å; N669-Y708 WeakPolarHBondContact ND2-CE2 3.29Å; N669-Y708 WeakPolarHBondContact OD1-CD2 3.37Å
670	S	83.4	Confident	90.8	Very high	83 Å²	83	19.6 Å²	19.6	58%	0.58	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-16.9	176.4	64.6	0	0	0	0	112.9	T667 K668	T667-S670 PolarHBondContact O-N 2.98Å; T667-S670 PolarHBondContact O-OG 3.42Å; T667-S670 VanDerWaalsContact O-OG 3.09Å; K668-S670 PolarHBondContact O-N 3.11Å
671	C	88.7	Confident	90.5	Very high	18 Å²	18	19.8 Å²	19.8	12%	0.122	11%	0.114	C	C	.	.	S	Bend	trans	-124.2	158.8	-179	-48.8	0	0	0	0	111.4	R643 P644 T667	R643-C671 HydrophobicContact CB-CB 4.47Å; P644-C671 WeakPolarHBondContact O-CB 3.4Å; T667-C671 HydrophobicContact CG2-CB 4.13Å; T667-C671 PolarHBondContact O-N 3.35Å
672	L	92.2	Very high	90.1	Very high	20 Å²	20	21.4 Å²	21.4	11%	0.105	13%	0.125	C	C	.	.			trans	-69.8	130.4	178.3	-179.6	65.5	0	0	0	110.8	Q645 I646 V674 F710 L735 P737	Q645-L672 CarbonylContact C-O 3.34Å; Q645-L672 WeakPolarHBondContact CA-O 3.48Å; Q645-L672 HydrophobicContact CB-CB 4.01Å; Q645-L672 HydrophobicContact CB-CD2 4.42Å; Q645-L672 HydrophobicContact CG-CB 3.96Å; I646-L672 PolarHBondContact N-O 3.06Å; L672-V674 HydrophobicContact CD1-CG2 4.08Å; L672-V674 HydrophobicContact CD2-CG2 4.17Å; L672-V674 HydrophobicContact CG-CG2 3.98Å; L672-F710 HydrophobicContact CD1-CD2 3.56Å; L672-F710 HydrophobicContact CD1-CE2 3.6Å; L672-L735 HydrophobicContact CD2-CB 4.43Å; L672-P737 HydrophobicContact CD2-CG 4.47Å
673	L	94.4	Very high	89.6	Confident	1 Å²	1	25 Å²	25	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	122.1	168.2	-178.7	55	0	0	0	109	I646 L648 A663 T667 A709 F710	I646-L673 HydrophobicContact CB-CD1 3.96Å; I646-L673 HydrophobicContact CG2-CD1 3.92Å; L648-L673 HydrophobicContact CB-CD1 4.11Å; L648-L673 HydrophobicContact CD2-CD1 4.43Å; A663-L673 HydrophobicContact CB-CD1 3.82Å; A663-L673 HydrophobicContact CB-CD2 4.22Å; T667-L673 HydrophobicContact CG2-CB 4.08Å; L673-A709 HydrophobicContact CB-CB 4.08Å; L673-A709 HydrophobicContact CD2-CB 3.9Å; L673-A709 HydrophobicContact CG-CB 3.75Å; L673-A709 CarbonylContact O-C 3.57Å; L673-A709 VanDerWaalsContact O-CA 3.32Å; L673-A709 WeakPolarHBondContact O-CA 3.47Å; L673-F710 PolarHBondContact O-N 3.06Å
674	V	94.7	Very high	89.2	Confident	7 Å²	7	26.8 Å²	26.8	4%	0.042	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.5	175	-175.5	0	0	0	0	108.2	I646 L647 L648 L672 F710 P737	I646-V674 PolarHBondContact O-N 3.18Å; L647-V674 HydrophobicContact CD1-CB 4.13Å; L647-V674 HydrophobicContact CD1-CG1 3.96Å; L648-V674 PolarHBondContact N-O 3.15Å; L672-V674 HydrophobicContact CD1-CG2 4.08Å; L672-V674 HydrophobicContact CD2-CG2 4.17Å; L672-V674 HydrophobicContact CG-CG2 3.98Å; V674-F710 CarbonylContact C-O 3.48Å; V674-F710 WeakPolarHBondContact CA-O 3.48Å; V674-P737 HydrophobicContact CG2-CG 4.17Å
675	C	94.6	Very high	88.8	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	105	171.5	-61.8	0	0	0	0	108.8	T650 F710 Y711 S712	T650-C675 HydrophobicContact CG2-CB 4.11Å; C675-F710 PolarHBondContact N-O 3.28Å; C675-Y711 HydrophobicContact CB-CD2 4.4Å; C675-S712 PolarHBondContact O-N 2.89Å
676	G	94.1	Very high	88.3	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	128.1	175.4	0	0	0	0	0	111.6	L648 T650 G651 S712	L648-G676 PolarHBondContact O-N 3.5Å; T650-G676 PolarHBondContact N-O 3.11Å; T650-G676 VanDerWaalsContact N-O 3.12Å; T650-G676 PolarHBondContact OG1-O 3.21Å; G651-G676 PolarHBondContact N-O 2.96Å; G676-S712 WeakPolarHBondContact CA-O 3.35Å
677	H	93.8	Very high	88	Confident	20 Å²	20	38.2 Å²	38.2	9%	0.093	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	108	173.9	-173.3	-175.6	0	0	0	109	G651 S652 Y711 S712 P713 V714	G651-H677 VanDerWaalsContact C-CG 3.41Å; G651-H677 VanDerWaalsContact CA-CD2 3.45Å; G651-H677 WeakPolarHBondContact CA-CD2 3.3Å; G651-H677 WeakPolarHBondContact O-CB 3.31Å; S652-H677 PolarHBondContact N-NE2 2.87Å; H677-Y711 HydrophobicContact CB-CE2 3.8Å; H677-Y711 AromaticContact ND1-CZ 3.91Å; H677-Y711 PolarHBondContact ND1-OH 3.4Å; H677-S712 PolarHBondContact N-O 3Å; H677-S712 VanDerWaalsContact N-O 3.11Å; H677-P713 CarbonylContact O-C 3.3Å; H677-P713 VanDerWaalsContact O-CA 3.29Å; H677-P713 WeakPolarHBondContact O-CA 3.48Å; H677-V714 PolarHBondContact O-N 3.5Å
678	V	93.6	Very high	87.9	Confident	26 Å²	26	42.4 Å²	42.4	16%	0.158	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123.6	167.7	-175.5	0	0	0	0	108	V714 A716 G722 V723 L726	V678-V714 WeakPolarHBondContact CA-O 3.39Å; V678-A716 HydrophobicContact CG1-CB 4.22Å; V678-G722 VanDerWaalsContact CG2-C 3.48Å; V678-V723 HydrophobicContact CG2-CG2 3.93Å; V678-L726 HydrophobicContact CG2-CD1 3.8Å
679	I	91.7	Very high	88.1	Confident	7 Å²	7	45.7 Å²	45.7	4%	0.036	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.4	179.7	-52	172.6	0	0	0	106.6	G681 M687 V691 P713 V714 V715 A716 L910	I679-G681 PolarHBondContact O-N 3.5Å; I679-M687 HydrophobicContact CB-CE 4.28Å; I679-M687 HydrophobicContact CG2-CE 3.28Å; I679-V691 HydrophobicContact CD1-CG1 4.25Å; I679-V691 HydrophobicContact CD1-CG2 3.76Å; I679-P713 HydrophobicContact CD1-CB 3.95Å; I679-V714 PolarHBondContact N-O 2.92Å; I679-V715 WeakPolarHBondContact O-CA 3.38Å; I679-A716 PolarHBondContact O-N 3.36Å; I679-L910 HydrophobicContact CD1-CD1 4.34Å; I679-L910 HydrophobicContact CD1-CD2 4.23Å; I679-L910 HydrophobicContact CG2-CD1 4.22Å
680	L	89.8	Confident	88.3	Confident	74 Å²	74	42.1 Å²	42.1	39%	0.387	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	127.3	-177.5	-63.8	175.6	0	0	0	110.2	A716 V719 I902 S906	L680-A716 WeakPolarHBondContact CA-O 3.35Å; L680-V719 HydrophobicContact CD2-CG2 3.93Å; L680-I902 HydrophobicContact CB-CG2 4.48Å; L680-S906 VanDerWaalsContact O-CB 3.31Å; L680-S906 WeakPolarHBondContact O-CB 3.2Å; L680-S906 PolarHBondContact O-OG 3.35Å
681	G	85.6	Confident	88.6	Confident	3 Å²	3	38.8 Å²	38.8	3%	0.031	21%	0.212	C	C	.	.	S	Bend	trans	158.6	176.4	179.4	0	0	0	0	0	113	I679 V715 A716 D903	I679-G681 PolarHBondContact O-N 3.5Å; G681-V715 WeakPolarHBondContact O-CG1 3.32Å; G681-A716 PolarHBondContact N-O 3.49Å; G681-A716 VanDerWaalsContact N-O 3.08Å; G681-A716 CarbonylContact O-C 3.32Å; G681-A716 VanDerWaalsContact O-C 3.24Å; G681-D903 VanDerWaalsContact CA-OD1 3.29Å; G681-D903 WeakPolarHBondContact CA-OD1 3.5Å
682	T	82.5	Confident	88.5	Confident	38 Å²	38	41.8 Å²	41.8	23%	0.233	22%	0.224	C	C	.	.			trans	-91.5	159.4	170.9	74	0	0	0	0	110.7	S684 V715 E899 D903	T682-S684 PolarHBondContact O-N 3.05Å; T682-V715 WeakPolarHBondContact O-CG1 3.22Å; T682-E899 HydrophobicContact CG2-CB 3.65Å; T682-E899 HydrophobicContact CG2-CG 3.5Å; T682-D903 PolarHBondContact N-OD1 3.19Å; T682-D903 PolarHBondContact OG1-OD1 3.43Å; T682-D903 PolarHBondContact OG1-OD2 3.08Å
683	A	81.1	Confident	88.2	Confident	75 Å²	75	46.1 Å²	46.1	62%	0.62	24%	0.239	S	C	*	.			trans	-78.9	44.3	179.9	0	0	0	0	0	112.8
684	S	83.6	Confident	87.9	Confident	38 Å²	38	46 Å²	46	27%	0.266	24%	0.239	S	C	.	.			trans	-67.7	152.6	177.2	71.7	0	0	0	0	111.8	T682 Q686 M687 L688 D903	T682-S684 PolarHBondContact O-N 3.05Å; S684-Q686 VanDerWaalsContact C-N 3.32Å; S684-Q686 PolarHBondContact O-N 2.98Å; S684-M687 PolarHBondContact O-N 3.14Å; S684-M687 VanDerWaalsContact O-N 3.11Å; S684-M687 VanDerWaalsContact OG-CB 3.24Å; S684-M687 WeakPolarHBondContact OG-CB 3.4Å; S684-M687 PolarHBondContact OG-N 2.86Å; S684-L688 WeakPolarHBondContact O-CG 3.45Å; S684-L688 PolarHBondContact O-N 3.27Å; S684-D903 VanDerWaalsContact CB-OD2 3.27Å; S684-D903 WeakPolarHBondContact CB-OD2 3.38Å; S684-D903 PolarHBondContact OG-OD2 2.97Å
685	E	83.6	Confident	87.6	Confident	135 Å²	135	47 Å²	47	63%	0.631	25%	0.245	S	C	*	.	H	α-helix	trans	-58.1	-42.9	-176.3	-175.2	174.9	-170.1	0	0	112.2	M687 L688 E689 F846	E685-M687 VanDerWaalsContact C-N 3.35Å; E685-M687 PolarHBondContact O-N 3.11Å; E685-L688 PolarHBondContact O-N 3.36Å; E685-E689 WeakPolarHBondContact O-CB 3.39Å; E685-E689 PolarHBondContact O-N 3.12Å; E685-F846 WeakPolarHBondContact OE1-CE1 3.11Å; E685-F846 VanDerWaalsContact OE1-CZ 3.27Å; E685-F846 WeakPolarHBondContact OE1-CZ 3.45Å
686	Q	81.6	Confident	87.1	Confident	147 Å²	147	51.3 Å²	51.3	69%	0.687	26%	0.263	S	S	*	.	H	α-helix	trans	-63.5	-40.1	176.9	-63	-175.8	4.2	0	0	112	S684 M690 I907	S684-Q686 VanDerWaalsContact C-N 3.32Å; S684-Q686 PolarHBondContact O-N 2.98Å; Q686-M690 VanDerWaalsContact O-CB 3.26Å; Q686-M690 WeakPolarHBondContact O-CB 3.34Å; Q686-M690 PolarHBondContact O-N 3.23Å; Q686-I907 HydrophobicContact CB-CD1 4.35Å
687	M	84.2	Confident	86.6	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-68.6	-44	179	-173.5	53.7	176.3	0	0	111.3	I679 S684 E685 M690 V691 V715 I907 L910	I679-M687 HydrophobicContact CB-CE 4.28Å; I679-M687 HydrophobicContact CG2-CE 3.28Å; S684-M687 PolarHBondContact O-N 3.14Å; S684-M687 VanDerWaalsContact O-N 3.11Å; S684-M687 VanDerWaalsContact OG-CB 3.24Å; S684-M687 WeakPolarHBondContact OG-CB 3.4Å; S684-M687 PolarHBondContact OG-N 2.86Å; E685-M687 VanDerWaalsContact C-N 3.35Å; E685-M687 PolarHBondContact O-N 3.11Å; M687-M690 PolarHBondContact O-N 3.15Å; M687-V691 HydrophobicContact CE-CG2 4.12Å; M687-V691 WeakPolarHBondContact O-CB 3.32Å; M687-V691 VanDerWaalsContact O-CG2 3.29Å; M687-V691 WeakPolarHBondContact O-CG2 3.46Å; M687-V691 PolarHBondContact O-N 3.49Å; M687-V691 HydrophobicContact SD-CG2 4.38Å; M687-V715 HydrophobicContact CG-CG1 4.34Å; M687-V715 HydrophobicContact CG-CG2 4.47Å; M687-I907 HydrophobicContact SD-CD1 4.31Å; M687-I907 HydrophobicContact SD-CG1 3.64Å; M687-L910 HydrophobicContact CE-CD1 4.18Å
688	L	88	Confident	86.2	Confident	88 Å²	88	52.6 Å²	52.6	46%	0.461	27%	0.269	S	S	.	.	H	α-helix	trans	-62.6	-44.1	176.5	-69.2	176.2	0	0	0	112.4	S684 E685 M690 V691 E692	S684-L688 WeakPolarHBondContact O-CG 3.45Å; S684-L688 PolarHBondContact O-N 3.27Å; E685-L688 PolarHBondContact O-N 3.36Å; L688-M690 VanDerWaalsContact C-N 3.33Å; L688-M690 PolarHBondContact O-N 3.33Å; L688-V691 PolarHBondContact O-N 3.39Å; L688-E692 PolarHBondContact O-N 3.38Å
689	E	86.7	Confident	85.8	Confident	99 Å²	99	53.6 Å²	53.6	46%	0.463	27%	0.273	S	S	.	.	H	α-helix	trans	-63	-41.4	176.8	-157.5	-135	133	0	0	111.3	E685 E692 R693	E685-E689 WeakPolarHBondContact O-CB 3.39Å; E685-E689 PolarHBondContact O-N 3.12Å; E689-E692 PolarHBondContact O-N 3.16Å; E689-R693 WeakPolarHBondContact O-CG 3.26Å; E689-R693 PolarHBondContact O-N 2.83Å; E689-R693 IonicContact OE1-CZ 3.46Å; E689-R693 IonicContact OE1-NE 2.73Å; E689-R693 PolarHBondContact OE1-NE 2.9Å; E689-R693 IonicContact OE1-NH2 2.66Å; E689-R693 PolarHBondContact OE1-NH2 3.06Å; E689-R693 IonicContact OE2-NH2 3.95Å; E689-R693 PolarHBondContact OE2-NH2 2.98Å
690	M	86	Confident	85.2	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.02	30%	0.299	C	S	.	.	H	α-helix	trans	-64	-41.6	175.8	-176.6	59	-163.1	0	0	112.2	Q686 M687 L688 E692 R693 Y694 I907 L910 N911 M914	Q686-M690 VanDerWaalsContact O-CB 3.26Å; Q686-M690 WeakPolarHBondContact O-CB 3.34Å; Q686-M690 PolarHBondContact O-N 3.23Å; M687-M690 PolarHBondContact O-N 3.15Å; L688-M690 VanDerWaalsContact C-N 3.33Å; L688-M690 PolarHBondContact O-N 3.33Å; M690-E692 VanDerWaalsContact C-N 3.34Å; M690-E692 PolarHBondContact O-N 2.91Å; M690-R693 PolarHBondContact O-N 3.47Å; M690-Y694 WeakPolarHBondContact O-CB 3.44Å; M690-Y694 PolarHBondContact O-N 3.27Å; M690-I907 HydrophobicContact CB-CG1 4.42Å; M690-I907 HydrophobicContact CG-CG1 4.33Å; M690-I907 HydrophobicContact CG-CG2 4.33Å; M690-L910 HydrophobicContact CE-CB 3.48Å; M690-L910 VanDerWaalsContact CE-CB 3.48Å; M690-L910 HydrophobicContact CG-CB 4.44Å; M690-L910 HydrophobicContact CG-CD1 4.16Å; M690-N911 HydrophobicContact CE-CB 4.1Å; M690-N911 WeakPolarHBondContact CE-ND2 3.47Å; M690-N911 WeakPolarHBondContact CE-OD1 3.35Å; M690-M914 HydrophobicContact CE-CE 3.61Å; M690-M914 HydrophobicContact CE-SD 4.24Å; M690-M914 HydrophobicContact SD-CE 4.38Å
691	V	89.2	Confident	85	Confident	13 Å²	13	56.2 Å²	56.2	8%	0.079	29%	0.288	C	S	.	.	H	α-helix	trans	-65.5	-35.5	175.5	170.2	0	0	0	0	111.6	I679 M687 L688 Y694 T695 P713 V715 L910	I679-V691 HydrophobicContact CD1-CG1 4.25Å; I679-V691 HydrophobicContact CD1-CG2 3.76Å; M687-V691 HydrophobicContact CE-CG2 4.12Å; M687-V691 WeakPolarHBondContact O-CB 3.32Å; M687-V691 VanDerWaalsContact O-CG2 3.29Å; M687-V691 WeakPolarHBondContact O-CG2 3.46Å; M687-V691 PolarHBondContact O-N 3.49Å; M687-V691 HydrophobicContact SD-CG2 4.38Å; L688-V691 PolarHBondContact O-N 3.39Å; V691-Y694 PolarHBondContact O-N 2.77Å; V691-T695 VanDerWaalsContact O-CB 3.3Å; V691-T695 WeakPolarHBondContact O-CB 3.28Å; V691-T695 PolarHBondContact O-N 3.28Å; V691-T695 PolarHBondContact O-OG1 3.14Å; V691-P713 HydrophobicContact CG1-CB 3.76Å; V691-P713 HydrophobicContact CG1-CG 3.7Å; V691-V715 HydrophobicContact CG2-CG2 3.89Å; V691-L910 HydrophobicContact CG2-CD1 4.14Å
692	E	87.9	Confident	84.9	Confident	82 Å²	82	56.2 Å²	56.2	38%	0.383	29%	0.287	S	S	.	.	H	α-helix	trans	-66.2	-44.5	173.4	-159.8	-162.3	142.5	0	0	111.7	L688 E689 M690 T695 K696 A840	L688-E692 PolarHBondContact O-N 3.38Å; E689-E692 PolarHBondContact O-N 3.16Å; M690-E692 VanDerWaalsContact C-N 3.34Å; M690-E692 PolarHBondContact O-N 2.91Å; E692-T695 WeakPolarHBondContact O-CB 3.24Å; E692-T695 PolarHBondContact O-N 3.15Å; E692-K696 WeakPolarHBondContact O-CG 3.26Å; E692-K696 PolarHBondContact O-N 3.2Å; E692-K696 VanDerWaalsContact O-N 3.09Å; E692-K696 WeakPolarHBondContact OE1-CE 3.2Å; E692-K696 IonicContact OE1-NZ 3.13Å; E692-K696 PolarHBondContact OE1-NZ 3.45Å; E692-A840 WeakPolarHBondContact OE1-CB 3.41Å
693	R	85.5	Confident	84.9	Confident	110 Å²	110	62.2 Å²	62.2	42%	0.415	31%	0.31	S	S	.	.	H	α-helix	trans	-59	-47.1	173.9	-70	-169.1	-123.1	144.1	-4.4	111.5	E689 M690 T695 K696 H697	E689-R693 WeakPolarHBondContact O-CG 3.26Å; E689-R693 PolarHBondContact O-N 2.83Å; E689-R693 IonicContact OE1-CZ 3.46Å; E689-R693 IonicContact OE1-NE 2.73Å; E689-R693 PolarHBondContact OE1-NE 2.9Å; E689-R693 IonicContact OE1-NH2 2.66Å; E689-R693 PolarHBondContact OE1-NH2 3.06Å; E689-R693 IonicContact OE2-NH2 3.95Å; E689-R693 PolarHBondContact OE2-NH2 2.98Å; M690-R693 PolarHBondContact O-N 3.47Å; R693-T695 VanDerWaalsContact C-N 3.33Å; R693-T695 PolarHBondContact O-N 3.4Å; R693-K696 PolarHBondContact O-N 3.32Å; R693-H697 PolarHBondContact O-N 3.5Å
694	Y	87.8	Confident	84.6	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-62.3	-38.5	177.3	-171.6	-91.6	0	0	0	112.4	S652 M690 V691 H697 M698 Y711 L910 E913 M914	S652-Y694 PolarHBondContact OG-OH 2.75Å; M690-Y694 WeakPolarHBondContact O-CB 3.44Å; M690-Y694 PolarHBondContact O-N 3.27Å; V691-Y694 PolarHBondContact O-N 2.77Å; Y694-H697 WeakPolarHBondContact O-CB 3.35Å; Y694-H697 PolarHBondContact O-N 3.47Å; Y694-M698 HydrophobicContact CD1-CE 4.25Å; Y694-M698 HydrophobicContact CD1-CG 3.72Å; Y694-M698 HydrophobicContact CD1-SD 4.42Å; Y694-M698 HydrophobicContact CD2-CE 4.17Å; Y694-M698 HydrophobicContact CE1-CE 3.74Å; Y694-M698 HydrophobicContact CE1-CG 3.32Å; Y694-M698 HydrophobicContact CE1-SD 3.58Å; Y694-M698 VanDerWaalsContact CE1-SD 3.58Å; Y694-M698 HydrophobicContact CE2-CE 3.64Å; Y694-M698 HydrophobicContact CE2-SD 4.42Å; Y694-M698 HydrophobicContact CG-CE 4.44Å; Y694-M698 VanDerWaalsContact CZ-SD 3.57Å; Y694-M698 WeakPolarHBondContact O-CG 3.44Å; Y694-M698 PolarHBondContact O-N 3.43Å; Y694-M698 PolarHBondContact OH-SD 2.9Å; Y694-M698 VanDerWaalsContact OH-SD 3.39Å; Y694-Y711 HydrophobicContact CD1-CE1 4.27Å; Y694-Y711 WeakPolarHBondContact CD1-OH 3.38Å; Y694-Y711 AromaticContact CE1-CZ 3.94Å; Y694-Y711 VanDerWaalsContact CE1-OH 3.26Å; Y694-Y711 WeakPolarHBondContact CE1-OH 3.18Å; Y694-L910 HydrophobicContact CD1-CD2 3.97Å; Y694-L910 HydrophobicContact CD2-CB 3.95Å; Y694-L910 HydrophobicContact CD2-CD2 3.69Å; Y694-L910 HydrophobicContact CD2-CG 4.37Å; Y694-L910 HydrophobicContact CE1-CD2 4.01Å; Y694-L910 HydrophobicContact CE2-CB 4.4Å; Y694-L910 HydrophobicContact CE2-CD2 3.75Å; Y694-L910 HydrophobicContact CG-CD2 3.81Å; Y694-E913 HydrophobicContact CE2-CB 3.96Å; Y694-E913 PolarHBondContact OH-OE2 3.31Å; Y694-M914 HydrophobicContact CD2-CG 3.68Å; Y694-M914 HydrophobicContact CD2-SD 4.23Å; Y694-M914 HydrophobicContact CE2-CG 4.19Å
695	T	88.9	Confident	84.5	Confident	27 Å²	27	62.4 Å²	62.4	17%	0.166	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-47.3	176.2	-64.7	0	0	0	0	112.3	V691 E692 R693 H697 M698 I699 Y711 P713	V691-T695 VanDerWaalsContact O-CB 3.3Å; V691-T695 WeakPolarHBondContact O-CB 3.28Å; V691-T695 PolarHBondContact O-N 3.28Å; V691-T695 PolarHBondContact O-OG1 3.14Å; E692-T695 WeakPolarHBondContact O-CB 3.24Å; E692-T695 PolarHBondContact O-N 3.15Å; R693-T695 VanDerWaalsContact C-N 3.33Å; R693-T695 PolarHBondContact O-N 3.4Å; T695-H697 PolarHBondContact O-N 3.07Å; T695-M698 PolarHBondContact O-N 3.09Å; T695-I699 HydrophobicContact CG2-CD1 3.83Å; T695-I699 WeakPolarHBondContact O-CG1 3.31Å; T695-I699 PolarHBondContact O-N 2.99Å; T695-I699 VanDerWaalsContact O-N 3.09Å; T695-Y711 HydrophobicContact CG2-CD1 4.09Å; T695-P713 WeakPolarHBondContact OG1-CG 3.18Å
696	K	84.2	Confident	84.5	Confident	90 Å²	90	66.1 Å²	66.1	39%	0.391	31%	0.313	S	S	.	.	H	α-helix	trans	-55.8	-43.6	174.8	-70.4	165.5	-176.4	167.9	0	110.5	E692 R693 V700 L838	E692-K696 WeakPolarHBondContact O-CG 3.26Å; E692-K696 PolarHBondContact O-N 3.2Å; E692-K696 VanDerWaalsContact O-N 3.09Å; E692-K696 WeakPolarHBondContact OE1-CE 3.2Å; E692-K696 IonicContact OE1-NZ 3.13Å; E692-K696 PolarHBondContact OE1-NZ 3.45Å; R693-K696 PolarHBondContact O-N 3.32Å; K696-V700 WeakPolarHBondContact O-CG2 3.31Å; K696-V700 PolarHBondContact O-N 3.31Å; K696-L838 HydrophobicContact CB-CD2 4.34Å; K696-L838 HydrophobicContact CG-CD2 3.78Å
697	H	83.6	Confident	84.6	Confident	49 Å²	49	59.7 Å²	59.7	23%	0.227	28%	0.283	C	S	.	.	H	α-helix	trans	-65.8	-44.1	178	-164.9	59.9	0	0	0	113.4	R693 Y694 T695 I699 V700 W701 M914 S917	R693-H697 PolarHBondContact O-N 3.5Å; Y694-H697 WeakPolarHBondContact O-CB 3.35Å; Y694-H697 PolarHBondContact O-N 3.47Å; T695-H697 PolarHBondContact O-N 3.07Å; H697-I699 VanDerWaalsContact C-N 3.33Å; H697-I699 PolarHBondContact O-N 2.83Å; H697-V700 PolarHBondContact O-N 2.76Å; H697-W701 PolarHBondContact O-N 3.4Å; H697-M914 HydrophobicContact CB-CG 4.38Å; H697-M914 HydrophobicContact CB-SD 4.27Å; H697-M914 PolarHBondContact NE2-O 3.44Å; H697-S917 PolarHBondContact CD2-OG 3.11Å; H697-S917 PolarHBondContact NE2-OG 2.95Å
698	M	85.5	Confident	84.7	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-62	-38.3	177.2	-70.4	-46.6	96	0	0	112.8	P653 I654 Y694 T695 V700 W701 L702 Y711	P653-M698 HydrophobicContact CG-SD 4.44Å; I654-M698 HydrophobicContact CD1-CE 3.53Å; I654-M698 HydrophobicContact CD1-SD 3.85Å; I654-M698 HydrophobicContact CG1-CE 4.44Å; I654-M698 HydrophobicContact CG1-SD 4.18Å; Y694-M698 HydrophobicContact CD1-CE 4.25Å; Y694-M698 HydrophobicContact CD1-CG 3.72Å; Y694-M698 HydrophobicContact CD1-SD 4.42Å; Y694-M698 HydrophobicContact CD2-CE 4.17Å; Y694-M698 HydrophobicContact CE1-CE 3.74Å; Y694-M698 HydrophobicContact CE1-CG 3.32Å; Y694-M698 HydrophobicContact CE1-SD 3.58Å; Y694-M698 VanDerWaalsContact CE1-SD 3.58Å; Y694-M698 HydrophobicContact CE2-CE 3.64Å; Y694-M698 HydrophobicContact CE2-SD 4.42Å; Y694-M698 HydrophobicContact CG-CE 4.44Å; Y694-M698 VanDerWaalsContact CZ-SD 3.57Å; Y694-M698 WeakPolarHBondContact O-CG 3.44Å; Y694-M698 PolarHBondContact O-N 3.43Å; Y694-M698 PolarHBondContact OH-SD 2.9Å; Y694-M698 VanDerWaalsContact OH-SD 3.39Å; T695-M698 PolarHBondContact O-N 3.09Å; M698-V700 VanDerWaalsContact C-N 3.33Å; M698-V700 PolarHBondContact O-N 3.49Å; M698-W701 WeakPolarHBondContact O-CB 3.34Å; M698-W701 PolarHBondContact O-N 3.35Å; M698-L702 WeakPolarHBondContact O-CG 3.32Å; M698-L702 PolarHBondContact O-N 2.96Å; M698-Y711 HydrophobicContact CB-CD1 3.87Å; M698-Y711 HydrophobicContact CB-CD2 4.15Å; M698-Y711 HydrophobicContact CB-CE1 4.13Å; M698-Y711 HydrophobicContact CB-CE2 4.39Å; M698-Y711 HydrophobicContact CB-CG 3.89Å; M698-Y711 HydrophobicContact CG-CD1 4.14Å; M698-Y711 HydrophobicContact CG-CD2 4.18Å; M698-Y711 HydrophobicContact CG-CE1 3.88Å; M698-Y711 HydrophobicContact CG-CE2 3.92Å; M698-Y711 HydrophobicContact CG-CG 4.29Å
699	I	84.3	Confident	84.8	Confident	46 Å²	46	62.2 Å²	62.2	24%	0.236	29%	0.292	C	S	.	.	H	α-helix	trans	-67.7	-36.9	179.2	-67.5	161.5	0	0	0	110.7	T695 H697 K703 L838	T695-I699 HydrophobicContact CG2-CD1 3.83Å; T695-I699 WeakPolarHBondContact O-CG1 3.31Å; T695-I699 PolarHBondContact O-N 2.99Å; T695-I699 VanDerWaalsContact O-N 3.09Å; H697-I699 VanDerWaalsContact C-N 3.33Å; H697-I699 PolarHBondContact O-N 2.83Å; I699-K703 WeakPolarHBondContact O-CB 3.4Å; I699-K703 PolarHBondContact O-N 3Å; I699-L838 HydrophobicContact CD1-CD1 4.16Å; I699-L838 HydrophobicContact CD1-CD2 3.91Å; I699-L838 HydrophobicContact CD1-CG 4.49Å; I699-L838 HydrophobicContact CG2-CD1 3.82Å
700	V	79.8	Confident	85.1	Confident	97 Å²	97	63.9 Å²	63.9	59%	0.588	30%	0.298	S	S	*	.	H	α-helix	trans	-63.7	-41.4	170.7	174.7	0	0	0	0	111.3	K696 H697 M698 K703 A704	K696-V700 WeakPolarHBondContact O-CG2 3.31Å; K696-V700 PolarHBondContact O-N 3.31Å; H697-V700 PolarHBondContact O-N 2.76Å; M698-V700 VanDerWaalsContact C-N 3.33Å; M698-V700 PolarHBondContact O-N 3.49Å; V700-K703 PolarHBondContact O-N 2.98Å; V700-A704 WeakPolarHBondContact O-CB 3.45Å; V700-A704 PolarHBondContact O-N 3.08Å
701	W	84.5	Confident	85.4	Confident	39 Å²	39	64.5 Å²	64.5	15%	0.148	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-45.1	177	-175.8	99.4	0	0	0	112.9	P653 I654 P657 H697 M698 A704 R705	P653-W701 HydrophobicContact CB-CE3 4.36Å; P653-W701 HydrophobicContact CB-CH2 4.18Å; P653-W701 HydrophobicContact CB-CZ3 3.82Å; P653-W701 WeakPolarHBondContact O-CH2 3.34Å; I654-W701 HydrophobicContact CG1-CD2 4.47Å; I654-W701 HydrophobicContact CG1-CZ2 4.34Å; P657-W701 HydrophobicContact CB-CH2 4.09Å; P657-W701 HydrophobicContact CB-CZ2 4.24Å; H697-W701 PolarHBondContact O-N 3.4Å; M698-W701 WeakPolarHBondContact O-CB 3.34Å; M698-W701 PolarHBondContact O-N 3.35Å; W701-A704 PolarHBondContact O-N 3.36Å; W701-R705 HydrophobicContact CD2-CG 4.48Å; W701-R705 VanDerWaalsContact CE2-CD 3.44Å; W701-R705 PolarHBondContact O-N 3.44Å
702	L	85.1	Confident	85.6	Confident	4 Å²	4	65.6 Å²	65.6	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-60.1	-46.5	175.4	-74.1	169.8	0	0	0	111.1	V660 M698 A704 R705 R706 I707 A709	V660-L702 HydrophobicContact CG1-CD2 4.26Å; M698-L702 WeakPolarHBondContact O-CG 3.32Å; M698-L702 PolarHBondContact O-N 2.96Å; L702-A704 PolarHBondContact O-N 2.87Å; L702-R705 CarbonylContact O-C 3.53Å; L702-R705 PolarHBondContact O-N 2.95Å; L702-R705 VanDerWaalsContact O-N 3.17Å; L702-R706 PolarHBondContact O-N 2.89Å; L702-I707 HydrophobicContact CD2-CB 4.05Å; L702-I707 HydrophobicContact CD2-CG2 3.96Å; L702-I707 PolarHBondContact O-N 2.91Å; L702-A709 HydrophobicContact CD1-CB 4.37Å; L702-A709 HydrophobicContact CD2-CB 4.43Å
703	K	81	Confident	85.8	Confident	163 Å²	163	63.2 Å²	63.2	71%	0.709	30%	0.3	S	S	*	.	H	α-helix	trans	-59.8	-42.9	175.2	-172	172.3	-176.3	172	0	111.9	I699 V700 R705 R706	I699-K703 WeakPolarHBondContact O-CB 3.4Å; I699-K703 PolarHBondContact O-N 3Å; V700-K703 PolarHBondContact O-N 2.98Å; K703-R705 VanDerWaalsContact C-N 3.32Å; K703-R705 PolarHBondContact O-N 3.4Å; K703-R706 PolarHBondContact O-N 3.37Å; K703-R706 VanDerWaalsContact O-N 3.1Å
704	A	76.5	Confident	86.2	Confident	74 Å²	74	59.3 Å²	59.3	61%	0.612	29%	0.288	S	S	*	.	H	α-helix	trans	-65.8	-30.3	176.9	0	0	0	0	0	113.4	V700 W701 L702	V700-A704 WeakPolarHBondContact O-CB 3.45Å; V700-A704 PolarHBondContact O-N 3.08Å; W701-A704 PolarHBondContact O-N 3.36Å; L702-A704 PolarHBondContact O-N 2.87Å
705	R	79.9	Confident	86.4	Confident	44 Å²	44	60.6 Å²	60.6	17%	0.166	30%	0.296	C	S	.	.	H	α-helix	trans	-86.2	-2.3	172.9	-66.4	-178.4	95.3	-119.6	-1.4	113.8	D661 W701 L702 K703 I707	D661-R705 IonicContact OD1-CZ 3.54Å; D661-R705 IonicContact OD1-NH1 2.74Å; D661-R705 PolarHBondContact OD1-NH1 2.97Å; D661-R705 IonicContact OD1-NH2 2.74Å; D661-R705 PolarHBondContact OD1-NH2 2.99Å; D661-R705 IonicContact OD2-CZ 3.45Å; D661-R705 IonicContact OD2-NH1 2.67Å; D661-R705 PolarHBondContact OD2-NH1 3.4Å; D661-R705 IonicContact OD2-NH2 3.36Å; D661-R705 PolarHBondContact OD2-NH2 3.44Å; W701-R705 HydrophobicContact CD2-CG 4.48Å; W701-R705 VanDerWaalsContact CE2-CD 3.44Å; W701-R705 PolarHBondContact O-N 3.44Å; L702-R705 CarbonylContact O-C 3.53Å; L702-R705 PolarHBondContact O-N 2.95Å; L702-R705 VanDerWaalsContact O-N 3.17Å; K703-R705 VanDerWaalsContact C-N 3.32Å; K703-R705 PolarHBondContact O-N 3.4Å; R705-I707 VanDerWaalsContact C-N 3.32Å; R705-I707 HydrophobicContact CB-CD1 3.84Å; R705-I707 HydrophobicContact CB-CG1 4.02Å
706	R	83.4	Confident	86.5	Confident	212 Å²	212	59.4 Å²	59.4	80%	0.8	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	35.5	-175	-58.3	-177.7	176	-176.7	-3.5	113.8	L702 K703	L702-R706 PolarHBondContact O-N 2.89Å; K703-R706 PolarHBondContact O-N 3.37Å; K703-R706 VanDerWaalsContact O-N 3.1Å
707	I	84.4	Confident	86.6	Confident	12 Å²	12	59.1 Å²	59.1	6%	0.062	30%	0.296	C	S	.	.			trans	-99.5	126.2	178.8	-60.1	173.1	0	0	0	108.3	V660 D661 L702 R705 A709	V660-I707 HydrophobicContact CG1-CD1 3.85Å; V660-I707 HydrophobicContact CG1-CG2 4.01Å; D661-I707 VanDerWaalsContact OD1-CD1 3.25Å; D661-I707 WeakPolarHBondContact OD1-CD1 3.48Å; L702-I707 HydrophobicContact CD2-CB 4.05Å; L702-I707 HydrophobicContact CD2-CG2 3.96Å; L702-I707 PolarHBondContact O-N 2.91Å; R705-I707 VanDerWaalsContact C-N 3.32Å; R705-I707 HydrophobicContact CB-CD1 3.84Å; R705-I707 HydrophobicContact CB-CG1 4.02Å; I707-A709 HydrophobicContact CG2-CB 4.09Å; I707-A709 PolarHBondContact O-N 3.44Å
708	Y	86.9	Confident	86.9	Confident	121 Å²	121	58.1 Å²	58.1	48%	0.475	29%	0.293	S	S	.	.			trans	-96.6	83.7	-179.4	-66.9	-103.4	0	0	0	109	N669 T833	N669-Y708 HydrophobicContact CB-CD2 4.2Å; N669-Y708 HydrophobicContact CB-CG 4.14Å; N669-Y708 VanDerWaalsContact ND2-CD2 3.27Å; N669-Y708 WeakPolarHBondContact ND2-CD2 3.24Å; N669-Y708 VanDerWaalsContact ND2-CE2 3.27Å; N669-Y708 WeakPolarHBondContact ND2-CE2 3.29Å; N669-Y708 WeakPolarHBondContact OD1-CD2 3.37Å; Y708-T833 HydrophobicContact CE1-CG2 4.16Å
709	A	90.2	Very high	87.1	Confident	20 Å²	20	60.2 Å²	60.2	17%	0.165	31%	0.306	C	S	.	.			trans	-135.9	149.6	179.4	0	0	0	0	0	110.8	L673 L702 I707	L673-A709 HydrophobicContact CB-CB 4.08Å; L673-A709 HydrophobicContact CD2-CB 3.9Å; L673-A709 HydrophobicContact CG-CB 3.75Å; L673-A709 CarbonylContact O-C 3.57Å; L673-A709 VanDerWaalsContact O-CA 3.32Å; L673-A709 WeakPolarHBondContact O-CA 3.47Å; L702-A709 HydrophobicContact CD1-CB 4.37Å; L702-A709 HydrophobicContact CD2-CB 4.43Å; I707-A709 HydrophobicContact CG2-CB 4.09Å; I707-A709 PolarHBondContact O-N 3.44Å
710	F	92.2	Very high	87.5	Confident	134 Å²	134	58.6 Å²	58.6	59%	0.588	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86	135.7	165.6	-63.7	-84.9	0	0	0	109.1	L672 L673 V674 C675	L672-F710 HydrophobicContact CD1-CD2 3.56Å; L672-F710 HydrophobicContact CD1-CE2 3.6Å; L673-F710 PolarHBondContact O-N 3.06Å; V674-F710 CarbonylContact C-O 3.48Å; V674-F710 WeakPolarHBondContact CA-O 3.48Å; C675-F710 PolarHBondContact N-O 3.28Å
711	Y	92.9	Very high	88	Confident	18 Å²	18	57.2 Å²	57.2	7%	0.071	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.2	172.3	176.8	-104.2	0	0	0	109.1	P653 C675 H677 Y694 T695 M698 P713	P653-Y711 HydrophobicContact CG-CD2 3.9Å; P653-Y711 HydrophobicContact CG-CE2 3.86Å; C675-Y711 HydrophobicContact CB-CD2 4.4Å; H677-Y711 HydrophobicContact CB-CE2 3.8Å; H677-Y711 AromaticContact ND1-CZ 3.91Å; H677-Y711 PolarHBondContact ND1-OH 3.4Å; Y694-Y711 HydrophobicContact CD1-CE1 4.27Å; Y694-Y711 WeakPolarHBondContact CD1-OH 3.38Å; Y694-Y711 AromaticContact CE1-CZ 3.94Å; Y694-Y711 VanDerWaalsContact CE1-OH 3.26Å; Y694-Y711 WeakPolarHBondContact CE1-OH 3.18Å; T695-Y711 HydrophobicContact CG2-CD1 4.09Å; M698-Y711 HydrophobicContact CB-CD1 3.87Å; M698-Y711 HydrophobicContact CB-CD2 4.15Å; M698-Y711 HydrophobicContact CB-CE1 4.13Å; M698-Y711 HydrophobicContact CB-CE2 4.39Å; M698-Y711 HydrophobicContact CB-CG 3.89Å; M698-Y711 HydrophobicContact CG-CD1 4.14Å; M698-Y711 HydrophobicContact CG-CD2 4.18Å; M698-Y711 HydrophobicContact CG-CE1 3.88Å; M698-Y711 HydrophobicContact CG-CE2 3.92Å; M698-Y711 HydrophobicContact CG-CG 4.29Å; Y711-P713 HydrophobicContact CD1-CG 4.33Å; Y711-P713 HydrophobicContact CE1-CB 3.85Å; Y711-P713 HydrophobicContact CE1-CG 3.78Å
712	S	93	Very high	88.4	Confident	35 Å²	35	55.4 Å²	55.4	25%	0.245	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	89.6	-175.2	-170.1	0	0	0	0	109.7	C675 G676 H677	C675-S712 PolarHBondContact O-N 2.89Å; G676-S712 WeakPolarHBondContact CA-O 3.35Å; H677-S712 PolarHBondContact N-O 3Å; H677-S712 VanDerWaalsContact N-O 3.11Å
713	P	92.3	Very high	88.8	Confident	33 Å²	33	55.3 Å²	55.3	21%	0.214	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	146.8	171.5	34.4	-34.1	0	0	0	110.4	H677 I679 V691 T695 Y711	H677-P713 CarbonylContact O-C 3.3Å; H677-P713 VanDerWaalsContact O-CA 3.29Å; H677-P713 WeakPolarHBondContact O-CA 3.48Å; I679-P713 HydrophobicContact CD1-CB 3.95Å; V691-P713 HydrophobicContact CG1-CB 3.76Å; V691-P713 HydrophobicContact CG1-CG 3.7Å; T695-P713 WeakPolarHBondContact OG1-CG 3.18Å; Y711-P713 HydrophobicContact CD1-CG 4.33Å; Y711-P713 HydrophobicContact CE1-CB 3.85Å; Y711-P713 HydrophobicContact CE1-CG 3.78Å
714	V	92.9	Very high	89.4	Confident	27 Å²	27	50.3 Å²	50.3	16%	0.164	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	131.8	170.9	168.6	0	0	0	0	107.9	H677 V678 I679 Y725 L726	H677-V714 PolarHBondContact O-N 3.5Å; V678-V714 WeakPolarHBondContact CA-O 3.39Å; I679-V714 PolarHBondContact N-O 2.92Å; V714-Y725 HydrophobicContact CG1-CD2 3.73Å; V714-Y725 HydrophobicContact CG1-CG 4.46Å; V714-L726 HydrophobicContact CB-CG 4.39Å; V714-L726 HydrophobicContact CG2-CD2 3.59Å; V714-L726 HydrophobicContact CG2-CG 3.78Å
715	V	92.4	Very high	90.2	Very high	28 Å²	28	51.9 Å²	51.9	17%	0.17	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.6	171.4	-177.9	0	0	0	0	107.9	I679 G681 T682 M687 V691	I679-V715 WeakPolarHBondContact O-CA 3.38Å; G681-V715 WeakPolarHBondContact O-CG1 3.32Å; T682-V715 WeakPolarHBondContact O-CG1 3.22Å; M687-V715 HydrophobicContact CG-CG1 4.34Å; M687-V715 HydrophobicContact CG-CG2 4.47Å; V691-V715 HydrophobicContact CG2-CG2 3.89Å
716	A	91.4	Very high	90.9	Very high	2 Å²	2	49.9 Å²	49.9	2%	0.017	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	153.1	180	0	0	0	0	0	110.4	V678 I679 L680 G681 T718 Y725	V678-A716 HydrophobicContact CG1-CB 4.22Å; I679-A716 PolarHBondContact O-N 3.36Å; L680-A716 WeakPolarHBondContact CA-O 3.35Å; G681-A716 PolarHBondContact N-O 3.49Å; G681-A716 VanDerWaalsContact N-O 3.08Å; G681-A716 CarbonylContact O-C 3.32Å; G681-A716 VanDerWaalsContact O-C 3.24Å; A716-T718 VanDerWaalsContact C-N 3.31Å; A716-T718 WeakPolarHBondContact CB-O 3.43Å; A716-T718 PolarHBondContact O-N 2.93Å; A716-Y725 HydrophobicContact CB-CE2 4.39Å
717	P	87	Confident	91.3	Very high	84 Å²	84	40.3 Å²	40.3	55%	0.545	21%	0.205	S	C	.	.	S	Bend	trans	-71.5	-26.7	178.4	30.2	-35.7	0	0	0	112.5	E721	P717-E721 VanDerWaalsContact CG-OE2 3.26Å; P717-E721 WeakPolarHBondContact CG-OE2 3.38Å
718	T	88.4	Confident	91.6	Very high	27 Å²	27	45 Å²	45	17%	0.166	23%	0.227	C	C	.	.	S	Bend	trans	-128.2	154	178.9	64.4	0	0	0	0	111.3	A716 T720 E721 G722	A716-T718 VanDerWaalsContact C-N 3.31Å; A716-T718 WeakPolarHBondContact CB-O 3.43Å; A716-T718 PolarHBondContact O-N 2.93Å; T718-T720 VanDerWaalsContact C-N 3.29Å; T718-T720 PolarHBondContact O-N 2.92Å; T718-T720 PolarHBondContact OG1-OG1 3.3Å; T718-E721 WeakPolarHBondContact OG1-CB 3.49Å; T718-E721 VanDerWaalsContact OG1-CG 3.26Å; T718-E721 WeakPolarHBondContact OG1-CG 3.42Å; T718-E721 PolarHBondContact OG1-N 2.85Å; T718-E721 PolarHBondContact OG1-OE1 2.99Å; T718-G722 PolarHBondContact O-N 3.4Å
719	V	90.9	Very high	91.8	Very high	44 Å²	44	46.5 Å²	46.5	27%	0.267	24%	0.24	S	C	.	.	H	α-helix	trans	-65.6	-38.1	178.1	-173.3	0	0	0	0	110.6	L680 G722 V723 I762	L680-V719 HydrophobicContact CD2-CG2 3.93Å; V719-G722 PolarHBondContact O-N 2.84Å; V719-V723 HydrophobicContact CG1-CG2 4.36Å; V719-V723 VanDerWaalsContact O-CG2 3.31Å; V719-V723 WeakPolarHBondContact O-CG2 3.5Å; V719-V723 PolarHBondContact O-N 3.5Å; V719-I762 HydrophobicContact CG1-CD1 4.03Å
720	T	91.4	Very high	91.9	Very high	13 Å²	13	46 Å²	46	8%	0.08	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-48	-176.9	42.8	0	0	0	0	112.5	T718 V723 Q724 E758 Q761 I762 Y765	T718-T720 VanDerWaalsContact C-N 3.29Å; T718-T720 PolarHBondContact O-N 2.92Å; T718-T720 PolarHBondContact OG1-OG1 3.3Å; T720-V723 PolarHBondContact O-N 2.77Å; T720-Q724 PolarHBondContact O-N 3.41Å; T720-E758 HydrophobicContact CG2-CB 3.87Å; T720-E758 HydrophobicContact CG2-CG 3.81Å; T720-Q761 HydrophobicContact CG2-CB 4.11Å; T720-I762 HydrophobicContact CG2-CG1 4.47Å; T720-Y765 HydrophobicContact CG2-CE2 4.39Å
721	E	91.4	Very high	91.7	Very high	68 Å²	68	41.7 Å²	41.7	32%	0.318	23%	0.229	S	C	.	.	H	α-helix	trans	-60.9	-46.7	174	-73.2	164	-128.7	0	0	111.8	P717 T718 V723 Q724 Y725	P717-E721 VanDerWaalsContact CG-OE2 3.26Å; P717-E721 WeakPolarHBondContact CG-OE2 3.38Å; T718-E721 WeakPolarHBondContact OG1-CB 3.49Å; T718-E721 VanDerWaalsContact OG1-CG 3.26Å; T718-E721 WeakPolarHBondContact OG1-CG 3.42Å; T718-E721 PolarHBondContact OG1-N 2.85Å; T718-E721 PolarHBondContact OG1-OE1 2.99Å; E721-V723 PolarHBondContact O-N 3.5Å; E721-Q724 WeakPolarHBondContact O-CB 3.33Å; E721-Q724 PolarHBondContact O-N 3.19Å; E721-Q724 VanDerWaalsContact O-N 3.08Å; E721-Y725 WeakPolarHBondContact O-CD1 3.43Å; E721-Y725 PolarHBondContact O-N 3.5Å
722	G	92.4	Very high	91.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-33.1	178.2	0	0	0	0	0	113.2	V678 T718 V719 L726	V678-G722 VanDerWaalsContact CG2-C 3.48Å; T718-G722 PolarHBondContact O-N 3.4Å; V719-G722 PolarHBondContact O-N 2.84Å; G722-L726 WeakPolarHBondContact O-CG 3.28Å; G722-L726 PolarHBondContact O-N 3.44Å; G722-L726 VanDerWaalsContact O-N 3.09Å
723	V	94.3	Very high	91	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	25%	0.25	C	C	.	.	H	α-helix	trans	-72.2	-38	173.3	170.5	0	0	0	0	112.2	L649 V678 V719 T720 E721 Y725 L726 L727 I762	L649-V723 HydrophobicContact CD1-CB 4.36Å; L649-V723 HydrophobicContact CD1-CG1 3.86Å; L649-V723 HydrophobicContact CD1-CG2 3.49Å; L649-V723 VanDerWaalsContact CD1-CG2 3.49Å; L649-V723 HydrophobicContact CD2-CG2 4.44Å; V678-V723 HydrophobicContact CG2-CG2 3.93Å; V719-V723 HydrophobicContact CG1-CG2 4.36Å; V719-V723 VanDerWaalsContact O-CG2 3.31Å; V719-V723 WeakPolarHBondContact O-CG2 3.5Å; V719-V723 PolarHBondContact O-N 3.5Å; T720-V723 PolarHBondContact O-N 2.77Å; E721-V723 PolarHBondContact O-N 3.5Å; V723-Y725 VanDerWaalsContact C-N 3.33Å; V723-Y725 PolarHBondContact O-N 2.88Å; V723-L726 PolarHBondContact O-N 3.06Å; V723-L727 HydrophobicContact CG1-CD1 3.79Å; V723-L727 HydrophobicContact CG1-CG 4.28Å; V723-L727 WeakPolarHBondContact O-CB 3.43Å; V723-L727 WeakPolarHBondContact O-CG 3.27Å; V723-L727 PolarHBondContact O-N 3.5Å; V723-I762 HydrophobicContact CB-CG1 4.24Å; V723-I762 HydrophobicContact CG1-CG1 4.14Å; V723-I762 HydrophobicContact CG1-CG2 4.14Å; V723-I762 HydrophobicContact CG2-CD1 4.05Å; V723-I762 HydrophobicContact CG2-CG1 4.17Å
724	Q	92.9	Very high	90.4	Very high	58 Å²	58	45.4 Å²	45.4	27%	0.271	25%	0.253	S	S	.	.	H	α-helix	trans	-59.2	-45.5	172	-70.6	-176.1	-7.1	0	0	111.3	T720 E721 L726 L727 Q728 Y765	T720-Q724 PolarHBondContact O-N 3.41Å; E721-Q724 WeakPolarHBondContact O-CB 3.33Å; E721-Q724 PolarHBondContact O-N 3.19Å; E721-Q724 VanDerWaalsContact O-N 3.08Å; Q724-L726 VanDerWaalsContact C-N 3.34Å; Q724-L726 PolarHBondContact O-N 2.87Å; Q724-L727 PolarHBondContact O-N 3.25Å; Q724-Q728 WeakPolarHBondContact O-CG 3.42Å; Q724-Q728 PolarHBondContact O-N 3.03Å; Q724-Y765 HydrophobicContact CG-CD2 3.71Å; Q724-Y765 HydrophobicContact CG-CE2 3.61Å; Q724-Y765 HydrophobicContact CG-CG 4.3Å; Q724-Y765 PolarHBondContact NE2-OH 3.33Å
725	Y	94	Very high	90.2	Very high	108 Å²	108	47.3 Å²	47.3	42%	0.424	26%	0.262	S	S	.	.	H	α-helix	trans	-59.1	-45.1	176.4	-58.9	-12.8	0	0	0	111.1	V714 A716 E721 V723 Q728 M729	V714-Y725 HydrophobicContact CG1-CD2 3.73Å; V714-Y725 HydrophobicContact CG1-CG 4.46Å; A716-Y725 HydrophobicContact CB-CE2 4.39Å; E721-Y725 WeakPolarHBondContact O-CD1 3.43Å; E721-Y725 PolarHBondContact O-N 3.5Å; V723-Y725 VanDerWaalsContact C-N 3.33Å; V723-Y725 PolarHBondContact O-N 2.88Å; Y725-Q728 PolarHBondContact O-N 3.02Å; Y725-M729 VanDerWaalsContact O-CB 3.26Å; Y725-M729 WeakPolarHBondContact O-CB 3.26Å; Y725-M729 WeakPolarHBondContact O-CG 3.44Å; Y725-M729 PolarHBondContact O-N 3.43Å
726	L	94	Very high	90.1	Very high	2 Å²	2	51 Å²	51	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-42.7	175.5	-75	170.5	0	0	0	112.7	L647 L649 V678 V714 G722 V723 Q724 Q728 S730	L647-L726 HydrophobicContact CD2-CB 4.14Å; L649-L726 HydrophobicContact CD2-CD1 3.85Å; V678-L726 HydrophobicContact CG2-CD1 3.8Å; V714-L726 HydrophobicContact CB-CG 4.39Å; V714-L726 HydrophobicContact CG2-CD2 3.59Å; V714-L726 HydrophobicContact CG2-CG 3.78Å; G722-L726 WeakPolarHBondContact O-CG 3.28Å; G722-L726 PolarHBondContact O-N 3.44Å; G722-L726 VanDerWaalsContact O-N 3.09Å; V723-L726 PolarHBondContact O-N 3.06Å; Q724-L726 VanDerWaalsContact C-N 3.34Å; Q724-L726 PolarHBondContact O-N 2.87Å; L726-Q728 VanDerWaalsContact C-N 3.33Å; L726-Q728 PolarHBondContact O-N 3.49Å; L726-S730 WeakPolarHBondContact O-CB 3.24Å; L726-S730 PolarHBondContact O-N 3.19Å; L726-S730 VanDerWaalsContact O-N 3.14Å; L726-S730 PolarHBondContact O-OG 3.2Å
727	L	92.8	Very high	90.2	Very high	10 Å²	10	51.3 Å²	51.3	5%	0.052	28%	0.278	C	S	.	.	H	α-helix	trans	-66	-34	-178.8	-79.8	166.9	0	0	0	113.2	L647 V723 Q724 L740 K771	L647-L727 HydrophobicContact CD2-CD2 4.07Å; L647-L727 HydrophobicContact CD2-CG 4.38Å; V723-L727 HydrophobicContact CG1-CD1 3.79Å; V723-L727 HydrophobicContact CG1-CG 4.28Å; V723-L727 WeakPolarHBondContact O-CB 3.43Å; V723-L727 WeakPolarHBondContact O-CG 3.27Å; V723-L727 PolarHBondContact O-N 3.5Å; Q724-L727 PolarHBondContact O-N 3.25Å; L727-L740 HydrophobicContact CD1-CD2 4.44Å; L727-L740 HydrophobicContact CD2-CB 4.39Å; L727-L740 HydrophobicContact CD2-CD1 4.14Å; L727-L740 HydrophobicContact CD2-CD2 4.22Å; L727-L740 HydrophobicContact CD2-CG 4.49Å; L727-K771 HydrophobicContact CD2-CG 4.19Å
728	Q	90.2	Very high	90.4	Very high	111 Å²	111	48.4 Å²	48.4	52%	0.519	26%	0.257	S	S	.	.	H	α-helix	trans	-87	-41.8	-178.6	-65.1	179	21	0	0	112.9	Q724 Y725 L726 H769	Q724-Q728 WeakPolarHBondContact O-CG 3.42Å; Q724-Q728 PolarHBondContact O-N 3.03Å; Y725-Q728 PolarHBondContact O-N 3.02Å; L726-Q728 VanDerWaalsContact C-N 3.33Å; L726-Q728 PolarHBondContact O-N 3.49Å; Q728-H769 VanDerWaalsContact CG-CE1 3.42Å; Q728-H769 WeakPolarHBondContact CG-CE1 3.31Å; Q728-H769 PolarHBondContact NE2-CE1 2.82Å
729	M	91.6	Very high	90.7	Very high	153 Å²	153	47.1 Å²	47.1	75%	0.754	25%	0.25	S	C	*	.	H	α-helix	trans	-101	-10.4	-168.1	-58	-61.2	-73.9	0	0	114.9	Y725 G731	Y725-M729 VanDerWaalsContact O-CB 3.26Å; Y725-M729 WeakPolarHBondContact O-CB 3.26Å; Y725-M729 WeakPolarHBondContact O-CG 3.44Å; Y725-M729 PolarHBondContact O-N 3.43Å; M729-G731 PolarHBondContact O-N 3.24Å
730	S	91.2	Very high	91	Very high	10 Å²	10	45.1 Å²	45.1	7%	0.07	24%	0.237	C	C	.	.	S	Bend	trans	-68.5	125.5	-179.6	-67.2	0	0	0	0	112.8	L726 P737	L726-S730 WeakPolarHBondContact O-CB 3.24Å; L726-S730 PolarHBondContact O-N 3.19Å; L726-S730 VanDerWaalsContact O-N 3.14Å; L726-S730 PolarHBondContact O-OG 3.2Å; S730-P737 WeakPolarHBondContact O-CD 3.39Å
731	G	87.5	Confident	91.2	Very high	42 Å²	42	44.5 Å²	44.5	43%	0.433	23%	0.234	S	C	.	.	S	Bend	trans	94.9	175.9	172.7	0	0	0	0	0	114.9	M729 L735	M729-G731 PolarHBondContact O-N 3.24Å; G731-L735 CarbonylContact C-O 3.5Å; G731-L735 WeakPolarHBondContact CA-O 3.34Å
732	I	88	Confident	91.4	Very high	105 Å²	105	41.5 Å²	41.5	54%	0.538	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-142.9	140	-174.4	-169.2	170.4	0	0	0	111.5	L629 G734 L735	L629-I732 HydrophobicContact CD1-CG2 4.03Å; L629-I732 HydrophobicContact CD2-CG2 4.32Å; I732-G734 PolarHBondContact O-N 3.19Å; I732-L735 PolarHBondContact N-O 2.93Å; I732-L735 WeakPolarHBondContact O-CA 3.44Å; I732-L735 WeakPolarHBondContact O-CB 3.39Å; I732-L735 PolarHBondContact O-N 3.45Å
733	S	83.8	Confident	91.4	Very high	32 Å²	32	42.2 Å²	42.2	22%	0.224	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	-133.8	-176.7	-177.7	0	0	0	0	110.5	L629 Q633 L735 K736	L629-S733 PolarHBondContact O-OG 2.91Å; Q633-S733 WeakPolarHBondContact CA-OG 3.31Å; Q633-S733 WeakPolarHBondContact CB-OG 3.34Å; Q633-S733 PolarHBondContact N-OG 3.32Å; S733-L735 VanDerWaalsContact C-N 3.28Å; S733-L735 PolarHBondContact O-N 3.28Å; S733-K736 WeakPolarHBondContact O-CG 3.43Å
734	G	80.3	Confident	91.3	Very high	28 Å²	28	42.6 Å²	42.6	29%	0.289	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	2.9	171.9	0	0	0	0	0	115.5	Q645 I732 K736	Q645-G734 PolarHBondContact NE2-O 3.02Å; Q645-G734 VanDerWaalsContact NE2-O 3.11Å; I732-G734 PolarHBondContact O-N 3.19Å; G734-K736 PolarHBondContact O-N 3.35Å
735	L	88.1	Confident	91.2	Very high	66 Å²	66	41.5 Å²	41.5	35%	0.346	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-95	69.6	170.3	-62.7	-172	0	0	0	110	L629 L632 L672 G731 I732 S733	L629-L735 HydrophobicContact CD2-CD1 3.56Å; L629-L735 HydrophobicContact CD2-CG 3.98Å; L632-L735 HydrophobicContact CD2-CD2 3.88Å; L632-L735 HydrophobicContact CD2-CG 3.88Å; L672-L735 HydrophobicContact CD2-CB 4.43Å; G731-L735 CarbonylContact C-O 3.5Å; G731-L735 WeakPolarHBondContact CA-O 3.34Å; I732-L735 PolarHBondContact N-O 2.93Å; I732-L735 WeakPolarHBondContact O-CA 3.44Å; I732-L735 WeakPolarHBondContact O-CB 3.39Å; I732-L735 PolarHBondContact O-N 3.45Å; S733-L735 VanDerWaalsContact C-N 3.28Å; S733-L735 PolarHBondContact O-N 3.28Å
736	K	90.6	Very high	90.8	Very high	106 Å²	106	38.7 Å²	38.7	46%	0.461	23%	0.226	S	C	.	.			trans	-117.6	147.8	175.3	-70.3	-176.9	177.6	-166.2	0	110.6	Q645 S733 G734 N738	Q645-K736 VanDerWaalsContact CB-O 3.32Å; Q645-K736 WeakPolarHBondContact CB-O 3.37Å; Q645-K736 PolarHBondContact OE1-O 2.86Å; S733-K736 WeakPolarHBondContact O-CG 3.43Å; G734-K736 PolarHBondContact O-N 3.35Å; K736-N738 PolarHBondContact O-N 3.03Å
737	P	93.2	Very high	90.5	Very high	8 Å²	8	42.4 Å²	42.4	5%	0.052	25%	0.246	C	C	.	.			trans	-62.4	134.5	172.7	-23.8	35.6	0	0	0	112.5	Q645 L647 L672 V674 S730 K771	Q645-P737 CarbonylContact O-C 3.43Å; Q645-P737 VanDerWaalsContact O-CA 3.27Å; Q645-P737 WeakPolarHBondContact O-CA 3.4Å; L647-P737 HydrophobicContact CB-CB 3.57Å; L647-P737 HydrophobicContact CB-CG 3.86Å; L672-P737 HydrophobicContact CD2-CG 4.47Å; V674-P737 HydrophobicContact CG2-CG 4.17Å; S730-P737 WeakPolarHBondContact O-CD 3.39Å; P737-K771 PolarHBondContact O-NZ 2.92Å
738	N	92.4	Very high	90.2	Very high	23 Å²	23	42 Å²	42	12%	0.123	24%	0.244	C	C	.	.			trans	-111.6	-11.7	173.9	62.1	17.6	0	0	0	112.9	Y642 R643 Q645 K736 K771 G772	Y642-N738 WeakPolarHBondContact CE2-ND2 3.28Å; R643-N738 PolarHBondContact O-ND2 3.27Å; Q645-N738 PolarHBondContact N-OD1 2.73Å; Q645-N738 PolarHBondContact O-N 3.4Å; Q645-N738 PolarHBondContact O-OD1 3.48Å; Q645-N738 PolarHBondContact OE1-ND2 3.06Å; K736-N738 PolarHBondContact O-N 3.03Å; N738-K771 WeakPolarHBondContact O-CA 3.05Å; N738-G772 PolarHBondContact O-N 3.28Å
739	I	94.6	Very high	90	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	126.2	174.4	-61	162.5	0	0	0	109.4	P644 Q645 I646 L647 G772 A774 L973 L977	P644-I739 HydrophobicContact CB-CD1 3.5Å; Q645-I739 PolarHBondContact O-N 3.44Å; I646-I739 HydrophobicContact CG1-CB 4.38Å; I646-I739 HydrophobicContact CG1-CD1 4.44Å; L647-I739 PolarHBondContact N-O 3.31Å; I739-G772 CarbonylContact C-O 3.46Å; I739-G772 VanDerWaalsContact CA-O 3.28Å; I739-G772 WeakPolarHBondContact CA-O 3.19Å; I739-A774 HydrophobicContact CG2-CB 4.2Å; I739-L973 HydrophobicContact CD1-CD1 3.82Å; I739-L973 HydrophobicContact CD1-CD2 4.16Å; I739-L973 HydrophobicContact CG1-CD1 4.5Å; I739-L973 HydrophobicContact CG1-CD2 4.05Å; I739-L977 HydrophobicContact CD1-CD2 4.32Å
740	L	96	Very high	89.8	Confident	1 Å²	1	41.1 Å²	41.1	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	127.9	163.4	179	61.5	0	0	0	108.5	L647 L649 L727 L742 I762 G772 L773 A774	L647-L740 HydrophobicContact CD2-CD1 4.18Å; L647-L740 HydrophobicContact CG-CD1 4.31Å; L649-L740 HydrophobicContact CD1-CD1 4.01Å; L649-L740 HydrophobicContact CD2-CD1 4.35Å; L649-L740 HydrophobicContact CG-CD1 3.82Å; L727-L740 HydrophobicContact CD1-CD2 4.44Å; L727-L740 HydrophobicContact CD2-CB 4.39Å; L727-L740 HydrophobicContact CD2-CD1 4.14Å; L727-L740 HydrophobicContact CD2-CD2 4.22Å; L727-L740 HydrophobicContact CD2-CG 4.49Å; L740-L742 HydrophobicContact CD1-CD2 4.06Å; L740-L742 HydrophobicContact CD2-CD2 4.29Å; L740-L742 HydrophobicContact CG-CD2 3.98Å; L740-L742 HydrophobicContact CG-CG 4.39Å; L740-I762 HydrophobicContact CD2-CG2 4.41Å; L740-G772 PolarHBondContact N-O 3.13Å; L740-L773 HydrophobicContact CB-CD1 4.08Å; L740-L773 HydrophobicContact CD2-CD1 3.94Å; L740-L773 HydrophobicContact CG-CD1 3.98Å; L740-L773 CarbonylContact O-C 3.55Å; L740-L773 WeakPolarHBondContact O-CA 3.4Å; L740-A774 PolarHBondContact O-N 2.86Å
741	F	95.9	Very high	89.4	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.2	-176.9	-161.6	-54	0	0	0	110.3	I646 L647 L648 L649 L659 F662 I666 A774 L776 L1135	I646-F741 HydrophobicContact CD1-CD2 4.26Å; I646-F741 HydrophobicContact CG2-CB 3.57Å; I646-F741 HydrophobicContact CG2-CD2 4.16Å; I646-F741 HydrophobicContact CG2-CG 4.19Å; L647-F741 PolarHBondContact O-N 2.92Å; L648-F741 WeakPolarHBondContact CA-O 3.25Å; L648-F741 HydrophobicContact CD1-CB 3.67Å; L648-F741 HydrophobicContact CD1-CD1 3.31Å; L648-F741 HydrophobicContact CD1-CD2 4.49Å; L648-F741 HydrophobicContact CD1-CE1 4.1Å; L648-F741 HydrophobicContact CD1-CG 3.57Å; L649-F741 PolarHBondContact N-O 2.96Å; L659-F741 HydrophobicContact CD1-CD1 3.99Å; L659-F741 HydrophobicContact CD1-CE1 3.67Å; F662-F741 HydrophobicContact CD1-CE2 4.23Å; F662-F741 AromaticContact CD1-CZ 3.61Å; F662-F741 HydrophobicContact CD1-CZ 3.61Å; F662-F741 HydrophobicContact CE1-CE2 4.18Å; F662-F741 AromaticContact CE1-CZ 3.71Å; F662-F741 HydrophobicContact CE1-CZ 3.71Å; I666-F741 HydrophobicContact CD1-CE2 3.95Å; F741-A774 CarbonylContact C-O 3.58Å; F741-A774 WeakPolarHBondContact CA-O 3.44Å; F741-A774 HydrophobicContact CB-CB 4.43Å; F741-A774 HydrophobicContact CD2-CB 3.59Å; F741-A774 HydrophobicContact CE2-CB 3.87Å; F741-A774 HydrophobicContact CG-CB 3.96Å; F741-A774 HydrophobicContact CZ-CB 4.46Å; F741-L776 HydrophobicContact CE1-CB 3.72Å; F741-L776 HydrophobicContact CZ-CB 4.06Å; F741-L1135 HydrophobicContact CE1-CD1 4.28Å; F741-L1135 HydrophobicContact CE2-CD1 3.93Å; F741-L1135 HydrophobicContact CZ-CD1 3.47Å; F741-L1135 VanDerWaalsContact CZ-CD1 3.47Å
742	L	94.8	Very high	89.4	Confident	6 Å²	6	43.3 Å²	43.3	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	156.7	-175.3	-50.2	-178.5	0	0	0	111.3	L649 L740 I762 I763 L773 A774 I775 L776	L649-L742 HydrophobicContact CB-CD2 3.93Å; L649-L742 HydrophobicContact CD1-CD2 3.55Å; L649-L742 HydrophobicContact CG-CD2 3.83Å; L740-L742 HydrophobicContact CD1-CD2 4.06Å; L740-L742 HydrophobicContact CD2-CD2 4.29Å; L740-L742 HydrophobicContact CG-CD2 3.98Å; L740-L742 HydrophobicContact CG-CG 4.39Å; L742-I762 HydrophobicContact CD1-CG2 4Å; L742-I762 HydrophobicContact CD2-CG2 3.99Å; L742-I763 HydrophobicContact CD1-CG1 3.99Å; L742-L773 HydrophobicContact CD1-CD1 3.96Å; L742-L773 HydrophobicContact CG-CD1 4.15Å; L742-A774 PolarHBondContact N-O 3.13Å; L742-I775 HydrophobicContact CB-CG1 4.3Å; L742-I775 HydrophobicContact CB-CG2 4.44Å; L742-I775 HydrophobicContact CD1-CD1 4.5Å; L742-I775 HydrophobicContact CD1-CG1 4.37Å; L742-I775 WeakPolarHBondContact O-CA 3.26Å; L742-L776 PolarHBondContact O-N 3.36Å
743	G	93	Very high	89.2	Confident	15 Å²	15	42.3 Å²	42.3	16%	0.155	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	136.1	160.8	0	0	0	0	0	110.2	K745	G743-K745 PolarHBondContact O-N 2.69Å
744	Y	93.3	Very high	89.3	Confident	10 Å²	10	46.8 Å²	46.8	4%	0.039	26%	0.255	C	S	.	.			trans	-61.6	130.6	178.2	-170.6	-94.1	0	0	0	112	G746 W748 I775 L776 R777 L1124 E1125	Y744-G746 PolarHBondContact O-N 3.06Å; Y744-W748 PolarHBondContact OH-NE1 3.32Å; Y744-I775 HydrophobicContact CD2-CG2 4.1Å; Y744-L776 WeakPolarHBondContact CB-O 3.35Å; Y744-L776 PolarHBondContact N-O 3.12Å; Y744-R777 HydrophobicContact CD1-CB 4.46Å; Y744-R777 HydrophobicContact CD1-CG 3.92Å; Y744-R777 HydrophobicContact CG-CB 4.07Å; Y744-R777 HydrophobicContact CG-CG 4.05Å; Y744-L1124 HydrophobicContact CE2-CB 3.85Å; Y744-L1124 HydrophobicContact CE2-CD1 4.33Å; Y744-E1125 WeakPolarHBondContact OH-CA 3.46Å; Y744-E1125 PolarHBondContact OH-N 2.9Å; Y744-E1125 PolarHBondContact OH-OE2 2.77Å; Y744-E1125 VanDerWaalsContact OH-OE2 3.05Å
745	K	90.6	Very high	89.6	Confident	35 Å²	35	48.9 Å²	48.9	15%	0.152	26%	0.257	C	S	.	.			trans	-78.1	84.2	176.7	-175.6	175.4	168.2	60.4	0	110.7	G743 N747 W748 E755 Y759	G743-K745 PolarHBondContact O-N 2.69Å; K745-N747 WeakPolarHBondContact CG-OD1 3.4Å; K745-N747 PolarHBondContact NZ-OD1 2.98Å; K745-N747 PolarHBondContact O-N 2.94Å; K745-N747 VanDerWaalsContact O-N 3.17Å; K745-W748 HydrophobicContact CD-CB 4.43Å; K745-W748 HydrophobicContact CG-CB 4.29Å; K745-W748 VanDerWaalsContact O-CD1 3.32Å; K745-W748 PolarHBondContact O-N 2.97Å; K745-E755 IonicContact NZ-OE2 3.28Å; K745-E755 PolarHBondContact NZ-OE2 3.47Å; K745-Y759 HydrophobicContact CB-CD2 4.17Å; K745-Y759 HydrophobicContact CB-CE2 4.12Å; K745-Y759 HydrophobicContact CB-CG 4.41Å; K745-Y759 HydrophobicContact CD-CG 4.47Å
746	G	85.3	Confident	89.7	Confident	48 Å²	48	46 Å²	46	50%	0.495	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16	-177.3	0	0	0	0	0	116.1	Y744	Y744-G746 PolarHBondContact O-N 3.06Å
747	N	86.9	Confident	89.6	Confident	81 Å²	81	43.3 Å²	43.3	43%	0.433	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	20.2	179.9	76.9	-32.3	0	0	0	113.7	K745 I749 E750 A751	K745-N747 WeakPolarHBondContact CG-OD1 3.4Å; K745-N747 PolarHBondContact NZ-OD1 2.98Å; K745-N747 PolarHBondContact O-N 2.94Å; K745-N747 VanDerWaalsContact O-N 3.17Å; N747-I749 PolarHBondContact O-N 3.37Å; N747-E750 PolarHBondContact O-N 3.36Å; N747-A751 PolarHBondContact O-N 2.99Å
748	W	88	Confident	89.4	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-61.4	-26.8	-173.8	72.2	-92.8	0	0	0	114	Y744 K745 E750 A751 L1047 F1051 L1121 A1122 E1125	Y744-W748 PolarHBondContact OH-NE1 3.32Å; K745-W748 HydrophobicContact CD-CB 4.43Å; K745-W748 HydrophobicContact CG-CB 4.29Å; K745-W748 VanDerWaalsContact O-CD1 3.32Å; K745-W748 PolarHBondContact O-N 2.97Å; W748-E750 PolarHBondContact O-N 3.21Å; W748-A751 PolarHBondContact O-N 3.21Å; W748-L1047 HydrophobicContact CH2-CD2 3.71Å; W748-L1047 HydrophobicContact CH2-CG 4.42Å; W748-L1047 HydrophobicContact CZ2-CD1 4.36Å; W748-L1047 HydrophobicContact CZ2-CD2 4.09Å; W748-L1047 HydrophobicContact CZ2-CG 4.48Å; W748-F1051 HydrophobicContact CE3-CZ 4.43Å; W748-F1051 HydrophobicContact CH2-CE2 4.14Å; W748-F1051 HydrophobicContact CZ3-CD2 4.18Å; W748-F1051 AromaticContact CZ3-CE2 3.65Å; W748-F1051 HydrophobicContact CZ3-CE2 3.65Å; W748-F1051 AromaticContact CZ3-CZ 3.96Å; W748-F1051 HydrophobicContact CZ3-CZ 3.96Å; W748-L1121 HydrophobicContact CB-CD1 4.21Å; W748-L1121 HydrophobicContact CD2-CB 4.01Å; W748-L1121 HydrophobicContact CD2-CD1 4.19Å; W748-L1121 HydrophobicContact CE3-CB 4.07Å; W748-L1121 HydrophobicContact CE3-CD1 4.07Å; W748-L1121 HydrophobicContact CG-CD1 4.29Å; W748-L1121 HydrophobicContact CH2-CB 4.23Å; W748-L1121 HydrophobicContact CZ2-CB 4.2Å; W748-L1121 HydrophobicContact CZ3-CB 4.18Å; W748-A1122 HydrophobicContact CH2-CB 4.38Å; W748-E1125 HydrophobicContact CZ2-CB 3.88Å; W748-E1125 HydrophobicContact CZ2-CG 4.19Å; W748-E1125 PolarHBondContact NE1-OE2 2.91Å
749	I	86	Confident	89.4	Confident	73 Å²	73	44.4 Å²	44.4	37%	0.374	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-67.5	-24.5	176.6	-56.5	172.8	0	0	0	112.4	N747	N747-I749 PolarHBondContact O-N 3.37Å
750	E	85.7	Confident	89.3	Confident	173 Å²	173	44.4 Å²	44.4	81%	0.808	23%	0.234	S	C	*	.	G	3₁₀ helix	trans	-105.9	-1.2	179.2	-61.1	179.3	168.2	0	0	112.4	N747 W748	N747-E750 PolarHBondContact O-N 3.36Å; W748-E750 PolarHBondContact O-N 3.21Å
751	A	83.2	Confident	89	Confident	19 Å²	19	45.7 Å²	45.7	16%	0.157	24%	0.24	C	C	.	.	S	Bend	trans	-80.4	158.6	-173.4	0	0	0	0	0	112.3	N747 W748 E755 I756	N747-A751 PolarHBondContact O-N 2.99Å; W748-A751 PolarHBondContact O-N 3.21Å; A751-E755 HydrophobicContact CB-CB 4.18Å; A751-I756 HydrophobicContact CB-CG1 4.09Å
752	T	87	Confident	88.9	Confident	79 Å²	79	46.3 Å²	46.3	49%	0.485	24%	0.243	S	C	.	.			trans	-69.1	151.7	172.1	59.7	0	0	0	0	111.5	K754 E755 I756	T752-K754 PolarHBondContact O-N 3.14Å; T752-E755 PolarHBondContact N-OE1 3.3Å; T752-E755 PolarHBondContact O-N 2.89Å; T752-E755 VanDerWaalsContact OG1-CG 3.31Å; T752-E755 WeakPolarHBondContact OG1-CG 3.29Å; T752-E755 PolarHBondContact OG1-N 3.31Å; T752-E755 PolarHBondContact OG1-OE1 3.3Å; T752-I756 PolarHBondContact O-N 3.41Å; T752-I756 VanDerWaalsContact O-N 3.12Å
753	E	84.8	Confident	88.8	Confident	85 Å²	85	46 Å²	46	40%	0.397	24%	0.242	S	C	.	.	H	α-helix	trans	-50.3	-42.1	175.9	-176.6	174.4	-175.4	0	0	111.8	I756 Q757 V1069 Y1070	E753-I756 PolarHBondContact O-N 3.3Å; E753-Q757 WeakPolarHBondContact O-CB 3.28Å; E753-Q757 PolarHBondContact O-N 2.84Å; E753-V1069 HydrophobicContact CG-CB 3.94Å; E753-V1069 HydrophobicContact CG-CG1 3.96Å; E753-V1069 HydrophobicContact CG-CG2 3.79Å; E753-Y1070 HydrophobicContact CG-CE2 4.44Å
754	K	86	Confident	88.7	Confident	126 Å²	126	45.4 Å²	45.4	55%	0.548	23%	0.234	S	C	.	.	H	α-helix	trans	-59.9	-47.6	175.5	-173.5	176.8	176.5	-178.5	0	112.8	T752 I756 Q757 E758	T752-K754 PolarHBondContact O-N 3.14Å; K754-I756 VanDerWaalsContact C-N 3.3Å; K754-I756 PolarHBondContact O-N 3.06Å; K754-Q757 PolarHBondContact O-N 3.33Å; K754-E758 WeakPolarHBondContact CE-OE1 3.3Å; K754-E758 HydrophobicContact CG-CG 4.37Å; K754-E758 IonicContact NZ-OE1 3.15Å; K754-E758 WeakPolarHBondContact O-CB 3.45Å; K754-E758 WeakPolarHBondContact O-CG 3.49Å; K754-E758 PolarHBondContact O-N 3.11Å
755	E	86.8	Confident	88.6	Confident	71 Å²	71	46.8 Å²	46.8	33%	0.332	24%	0.24	S	C	.	.	H	α-helix	trans	-64	-34.4	178.3	-75.7	167.7	-109.9	0	0	113.1	K745 A751 T752 Y759	K745-E755 IonicContact NZ-OE2 3.28Å; K745-E755 PolarHBondContact NZ-OE2 3.47Å; A751-E755 HydrophobicContact CB-CB 4.18Å; T752-E755 PolarHBondContact N-OE1 3.3Å; T752-E755 PolarHBondContact O-N 2.89Å; T752-E755 VanDerWaalsContact OG1-CG 3.31Å; T752-E755 WeakPolarHBondContact OG1-CG 3.29Å; T752-E755 PolarHBondContact OG1-N 3.31Å; T752-E755 PolarHBondContact OG1-OE1 3.3Å; E755-Y759 WeakPolarHBondContact O-CB 3.4Å; E755-Y759 PolarHBondContact O-N 3.5Å; E755-Y759 VanDerWaalsContact O-N 3.16Å
756	I	88.8	Confident	88.6	Confident	5 Å²	5	45.1 Å²	45.1	3%	0.026	23%	0.233	C	C	.	.	H	α-helix	trans	-66.4	-48.2	175.9	-65	172.3	0	0	0	109.2	A751 T752 E753 K754 Y759 F760 V1069 A1117 T1118 L1121	A751-I756 HydrophobicContact CB-CG1 4.09Å; T752-I756 PolarHBondContact O-N 3.41Å; T752-I756 VanDerWaalsContact O-N 3.12Å; E753-I756 PolarHBondContact O-N 3.3Å; K754-I756 VanDerWaalsContact C-N 3.3Å; K754-I756 PolarHBondContact O-N 3.06Å; I756-Y759 PolarHBondContact O-N 3.42Å; I756-F760 WeakPolarHBondContact O-CB 3.46Å; I756-F760 PolarHBondContact O-N 3.28Å; I756-F760 VanDerWaalsContact O-N 3.1Å; I756-V1069 HydrophobicContact CB-CG1 4.22Å; I756-V1069 HydrophobicContact CG2-CG1 3.78Å; I756-A1117 HydrophobicContact CG2-CB 3.85Å; I756-T1118 HydrophobicContact CG2-CG2 4.46Å; I756-L1121 HydrophobicContact CG2-CD1 3.81Å
757	Q	89.1	Confident	88.9	Confident	50 Å²	50	42.9 Å²	42.9	23%	0.234	21%	0.209	C	C	.	.	H	α-helix	trans	-61.9	-46.4	178.1	-156.8	-173.5	29.1	0	0	112.1	E753 K754 Y759 F760 Q761 F1067 V1069	E753-Q757 WeakPolarHBondContact O-CB 3.28Å; E753-Q757 PolarHBondContact O-N 2.84Å; K754-Q757 PolarHBondContact O-N 3.33Å; Q757-Y759 PolarHBondContact O-N 3.25Å; Q757-F760 PolarHBondContact O-N 2.69Å; Q757-Q761 WeakPolarHBondContact O-CB 3.49Å; Q757-Q761 VanDerWaalsContact O-CG 3.28Å; Q757-Q761 WeakPolarHBondContact O-CG 3.48Å; Q757-Q761 PolarHBondContact O-N 2.93Å; Q757-F1067 PolarHBondContact NE2-O 3.2Å; Q757-F1067 VanDerWaalsContact NE2-O 3.09Å; Q757-V1069 HydrophobicContact CB-CG2 3.79Å; Q757-V1069 HydrophobicContact CG-CG2 3.91Å
758	E	90	Very high	88.9	Confident	28 Å²	28	42.1 Å²	42.1	13%	0.131	21%	0.205	C	C	.	.	H	α-helix	trans	-60	-45.1	178.1	-75.3	-176.9	175.7	0	0	112.1	T720 K754 F760 Q761 I762	T720-E758 HydrophobicContact CG2-CB 3.87Å; T720-E758 HydrophobicContact CG2-CG 3.81Å; K754-E758 WeakPolarHBondContact CE-OE1 3.3Å; K754-E758 HydrophobicContact CG-CG 4.37Å; K754-E758 IonicContact NZ-OE1 3.15Å; K754-E758 WeakPolarHBondContact O-CB 3.45Å; K754-E758 WeakPolarHBondContact O-CG 3.49Å; K754-E758 PolarHBondContact O-N 3.11Å; E758-F760 PolarHBondContact O-N 3.48Å; E758-Q761 PolarHBondContact O-N 2.91Å; E758-I762 WeakPolarHBondContact O-CD1 3.36Å; E758-I762 VanDerWaalsContact O-CG1 3.27Å; E758-I762 WeakPolarHBondContact O-CG1 3.43Å; E758-I762 PolarHBondContact O-N 2.9Å
759	Y	92	Very high	89	Confident	26 Å²	26	45.3 Å²	45.3	10%	0.102	22%	0.22	C	C	.	.	H	α-helix	trans	-65.3	-38.3	178.9	-176.1	-96	0	0	0	112.1	K745 E755 I756 Q757 I763 I775 L1121	K745-Y759 HydrophobicContact CB-CD2 4.17Å; K745-Y759 HydrophobicContact CB-CE2 4.12Å; K745-Y759 HydrophobicContact CB-CG 4.41Å; K745-Y759 HydrophobicContact CD-CG 4.47Å; E755-Y759 WeakPolarHBondContact O-CB 3.4Å; E755-Y759 PolarHBondContact O-N 3.5Å; E755-Y759 VanDerWaalsContact O-N 3.16Å; I756-Y759 PolarHBondContact O-N 3.42Å; Q757-Y759 PolarHBondContact O-N 3.25Å; Y759-I763 HydrophobicContact CD1-CD1 4.19Å; Y759-I763 HydrophobicContact CE1-CD1 3.73Å; Y759-I763 PolarHBondContact O-N 2.79Å; Y759-I775 WeakPolarHBondContact OH-CG2 3.31Å; Y759-L1121 HydrophobicContact CD1-CD2 4.01Å; Y759-L1121 HydrophobicContact CE1-CD2 3.92Å
760	F	91.9	Very high	89	Confident	1 Å²	1	43.4 Å²	43.4	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-68.5	-42.2	175.4	-171.8	-125.6	0	0	0	112.1	I756 Q757 E758 I762 I763 H764 F1067 P1110 V1115 A1117 Y1120	I756-F760 WeakPolarHBondContact O-CB 3.46Å; I756-F760 PolarHBondContact O-N 3.28Å; I756-F760 VanDerWaalsContact O-N 3.1Å; Q757-F760 PolarHBondContact O-N 2.69Å; E758-F760 PolarHBondContact O-N 3.48Å; F760-I762 VanDerWaalsContact C-N 3.33Å; F760-I762 PolarHBondContact O-N 2.86Å; F760-I763 WeakPolarHBondContact O-CB 3.43Å; F760-I763 PolarHBondContact O-N 3.17Å; F760-I763 VanDerWaalsContact O-N 3.14Å; F760-H764 AromaticContact CD1-CD2 3.97Å; F760-H764 AromaticContact CD1-NE2 3.96Å; F760-H764 AromaticContact CE1-CD2 3.85Å; F760-H764 AromaticContact CE1-NE2 3.36Å; F760-H764 WeakPolarHBondContact CE1-NE2 3.32Å; F760-H764 AromaticContact CE2-NE2 3.56Å; F760-H764 AromaticContact CZ-CD2 3.93Å; F760-H764 AromaticContact CZ-NE2 3.14Å; F760-H764 WeakPolarHBondContact CZ-NE2 3.45Å; F760-H764 PolarHBondContact O-CD2 3.32Å; F760-H764 PolarHBondContact O-N 2.65Å; F760-H764 VanDerWaalsContact O-N 3.13Å; F760-F1067 HydrophobicContact CD1-CB 4.48Å; F760-F1067 HydrophobicContact CD1-CD1 4.09Å; F760-F1067 AromaticContact CE1-CD1 3.86Å; F760-F1067 HydrophobicContact CE1-CD1 3.86Å; F760-P1110 HydrophobicContact CE2-CB 4.03Å; F760-P1110 HydrophobicContact CE2-CG 4.21Å; F760-P1110 HydrophobicContact CZ-CB 4.19Å; F760-V1115 WeakPolarHBondContact CZ-O 3.16Å; F760-A1117 HydrophobicContact CB-CB 3.83Å; F760-A1117 HydrophobicContact CD1-CB 3.58Å; F760-A1117 HydrophobicContact CD2-CB 4.39Å; F760-A1117 HydrophobicContact CE1-CB 4.15Å; F760-A1117 HydrophobicContact CG-CB 3.71Å; F760-Y1120 AromaticContact CD2-CD1 3.85Å; F760-Y1120 HydrophobicContact CD2-CD1 3.85Å; F760-Y1120 HydrophobicContact CD2-CG 4.39Å; F760-Y1120 AromaticContact CE2-CD1 3.61Å; F760-Y1120 HydrophobicContact CE2-CD1 3.61Å; F760-Y1120 HydrophobicContact CE2-CE1 4.43Å; F760-Y1120 AromaticContact CE2-CG 3.74Å; F760-Y1120 HydrophobicContact CE2-CG 3.74Å
761	Q	90.7	Very high	89.3	Confident	29 Å²	29	37 Å²	37	14%	0.136	19%	0.188	C	C	.	.	H	α-helix	trans	-59.9	-40.2	174.4	-75	175.7	7.7	0	0	112.3	T720 Q757 E758 I763 H764 Y765 F1067	T720-Q761 HydrophobicContact CG2-CB 4.11Å; Q757-Q761 WeakPolarHBondContact O-CB 3.49Å; Q757-Q761 VanDerWaalsContact O-CG 3.28Å; Q757-Q761 WeakPolarHBondContact O-CG 3.48Å; Q757-Q761 PolarHBondContact O-N 2.93Å; E758-Q761 PolarHBondContact O-N 2.91Å; Q761-I763 VanDerWaalsContact C-N 3.29Å; Q761-I763 PolarHBondContact O-N 3.35Å; Q761-H764 PolarHBondContact O-N 3.43Å; Q761-Y765 HydrophobicContact CB-CE2 4.42Å; Q761-Y765 VanDerWaalsContact O-CG 3.27Å; Q761-Y765 PolarHBondContact O-N 3.04Å; Q761-F1067 HydrophobicContact CG-CD2 3.7Å; Q761-F1067 HydrophobicContact CG-CE2 3.87Å; Q761-F1067 HydrophobicContact CG-CG 4.41Å
762	I	92.9	Very high	89.7	Confident	13 Å²	13	36.2 Å²	36.2	7%	0.067	18%	0.181	C	C	.	.	H	α-helix	trans	-60	-37.8	175.5	-72.1	163.7	0	0	0	111.9	L649 V719 T720 V723 L740 L742 E758 F760 Y765 G766	L649-I762 HydrophobicContact CD1-CG2 4.06Å; V719-I762 HydrophobicContact CG1-CD1 4.03Å; T720-I762 HydrophobicContact CG2-CG1 4.47Å; V723-I762 HydrophobicContact CB-CG1 4.24Å; V723-I762 HydrophobicContact CG1-CG1 4.14Å; V723-I762 HydrophobicContact CG1-CG2 4.14Å; V723-I762 HydrophobicContact CG2-CD1 4.05Å; V723-I762 HydrophobicContact CG2-CG1 4.17Å; L740-I762 HydrophobicContact CD2-CG2 4.41Å; L742-I762 HydrophobicContact CD1-CG2 4Å; L742-I762 HydrophobicContact CD2-CG2 3.99Å; E758-I762 WeakPolarHBondContact O-CD1 3.36Å; E758-I762 VanDerWaalsContact O-CG1 3.27Å; E758-I762 WeakPolarHBondContact O-CG1 3.43Å; E758-I762 PolarHBondContact O-N 2.9Å; F760-I762 VanDerWaalsContact C-N 3.33Å; F760-I762 PolarHBondContact O-N 2.86Å; I762-Y765 PolarHBondContact O-N 3.31Å; I762-G766 PolarHBondContact O-N 2.67Å; I762-G766 VanDerWaalsContact O-N 3.12Å
763	I	92.8	Very high	90.1	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.5	-46.9	175.1	-71.3	175	0	0	0	110.4	L742 Y759 F760 Q761 Y765 G766 F767 L773 I775 P1110 Y1120	L742-I763 HydrophobicContact CD1-CG1 3.99Å; Y759-I763 HydrophobicContact CD1-CD1 4.19Å; Y759-I763 HydrophobicContact CE1-CD1 3.73Å; Y759-I763 PolarHBondContact O-N 2.79Å; F760-I763 WeakPolarHBondContact O-CB 3.43Å; F760-I763 PolarHBondContact O-N 3.17Å; F760-I763 VanDerWaalsContact O-N 3.14Å; Q761-I763 VanDerWaalsContact C-N 3.29Å; Q761-I763 PolarHBondContact O-N 3.35Å; I763-Y765 PolarHBondContact O-N 3.49Å; I763-G766 PolarHBondContact O-N 3.41Å; I763-F767 HydrophobicContact CG2-CD2 4.13Å; I763-F767 HydrophobicContact CG2-CE2 3.63Å; I763-F767 VanDerWaalsContact O-CD2 3.32Å; I763-F767 WeakPolarHBondContact O-CD2 3.48Å; I763-F767 PolarHBondContact O-N 3.32Å; I763-L773 HydrophobicContact CB-CD2 4.29Å; I763-L773 HydrophobicContact CG1-CD2 4.26Å; I763-L773 HydrophobicContact CG2-CD2 3.76Å; I763-I775 HydrophobicContact CD1-CD1 3.78Å; I763-I775 HydrophobicContact CG1-CD1 4.25Å; I763-P1110 HydrophobicContact CG2-CG 4.34Å; I763-Y1120 HydrophobicContact CD1-CE1 4.05Å; I763-Y1120 HydrophobicContact CG2-CE1 4.29Å
764	H	91.2	Very high	90.6	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-60.4	-42	175.1	-78.2	-72.5	0	0	0	112.7	H111 F760 Q761 G766 F767 D768 F1067	H111-H764 AromaticContact CD2-ND1 3.83Å; H111-H764 VanDerWaalsContact NE2-C 3.33Å; H111-H764 WeakPolarHBondContact NE2-CA 3.4Å; H111-H764 AromaticContact NE2-CG 3.98Å; H111-H764 AromaticContact NE2-ND1 3.55Å; H111-H764 PolarHBondContact NE2-O 3.11Å; F760-H764 AromaticContact CD1-CD2 3.97Å; F760-H764 AromaticContact CD1-NE2 3.96Å; F760-H764 AromaticContact CE1-CD2 3.85Å; F760-H764 AromaticContact CE1-NE2 3.36Å; F760-H764 WeakPolarHBondContact CE1-NE2 3.32Å; F760-H764 AromaticContact CE2-NE2 3.56Å; F760-H764 AromaticContact CZ-CD2 3.93Å; F760-H764 AromaticContact CZ-NE2 3.14Å; F760-H764 WeakPolarHBondContact CZ-NE2 3.45Å; F760-H764 PolarHBondContact O-CD2 3.32Å; F760-H764 PolarHBondContact O-N 2.65Å; F760-H764 VanDerWaalsContact O-N 3.13Å; Q761-H764 PolarHBondContact O-N 3.43Å; H764-G766 VanDerWaalsContact C-N 3.3Å; H764-G766 PolarHBondContact O-N 2.98Å; H764-F767 PolarHBondContact O-N 3.08Å; H764-D768 WeakPolarHBondContact O-CB 3.45Å; H764-D768 VanDerWaalsContact O-CG 3.32Å; H764-D768 PolarHBondContact O-N 2.99Å; H764-F1067 HydrophobicContact CB-CE1 4.32Å; H764-F1067 HydrophobicContact CB-CZ 4.09Å; H764-F1067 AromaticContact CD2-CD1 3.96Å; H764-F1067 AromaticContact CD2-CE1 3.31Å; H764-F1067 WeakPolarHBondContact CD2-CE1 3.34Å; H764-F1067 AromaticContact CD2-CZ 3.92Å; H764-F1067 AromaticContact CE1-CE1 3.99Å; H764-F1067 AromaticContact CG-CE1 3.64Å; H764-F1067 AromaticContact CG-CZ 3.92Å; H764-F1067 AromaticContact NE2-CE1 3.57Å
765	Y	91.5	Very high	91.1	Very high	40 Å²	40	22.4 Å²	22.4	16%	0.157	11%	0.113	C	C	.	.	H	α-helix	trans	-62.9	-34.4	176.2	-61.7	-21.5	0	0	0	113	T720 Q724 Q761 I762 I763 F767 H769	T720-Y765 HydrophobicContact CG2-CE2 4.39Å; Q724-Y765 HydrophobicContact CG-CD2 3.71Å; Q724-Y765 HydrophobicContact CG-CE2 3.61Å; Q724-Y765 HydrophobicContact CG-CG 4.3Å; Q724-Y765 PolarHBondContact NE2-OH 3.33Å; Q761-Y765 HydrophobicContact CB-CE2 4.42Å; Q761-Y765 VanDerWaalsContact O-CG 3.27Å; Q761-Y765 PolarHBondContact O-N 3.04Å; I762-Y765 PolarHBondContact O-N 3.31Å; I763-Y765 PolarHBondContact O-N 3.49Å; Y765-F767 VanDerWaalsContact C-N 3.35Å; Y765-H769 WeakPolarHBondContact O-CB 3.34Å; Y765-H769 PolarHBondContact O-CD2 3.29Å; Y765-H769 PolarHBondContact O-N 2.91Å
766	G	90.8	Very high	91.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.3	-45.3	173.5	0	0	0	0	0	112.3	I762 I763 H764 K771	I762-G766 PolarHBondContact O-N 2.67Å; I762-G766 VanDerWaalsContact O-N 3.12Å; I763-G766 PolarHBondContact O-N 3.41Å; H764-G766 VanDerWaalsContact C-N 3.3Å; H764-G766 PolarHBondContact O-N 2.98Å; G766-K771 WeakPolarHBondContact O-CB 3.37Å; G766-K771 PolarHBondContact O-N 3.13Å
767	F	90.3	Very high	91.7	Very high	1 Å²	1	20.4 Å²	20.4	0%	0.004	10%	0.102	C	C	.	.	H	α-helix	trans	-71.7	-42.5	177.4	-64.9	-52	0	0	0	112.8	L107 H111 I763 H764 Y765 H769 G770 L773 L1107 V1109 P1110 R1138	L107-F767 HydrophobicContact CD1-CD1 3.83Å; L107-F767 HydrophobicContact CD1-CE1 4.31Å; L107-F767 HydrophobicContact CD2-CB 4.36Å; L107-F767 HydrophobicContact CD2-CD1 4.12Å; L107-F767 WeakPolarHBondContact CD2-O 3.39Å; L107-F767 HydrophobicContact CG-CD1 4.36Å; H111-F767 AromaticContact CD2-CD2 3.97Å; I763-F767 HydrophobicContact CG2-CD2 4.13Å; I763-F767 HydrophobicContact CG2-CE2 3.63Å; I763-F767 VanDerWaalsContact O-CD2 3.32Å; I763-F767 WeakPolarHBondContact O-CD2 3.48Å; I763-F767 PolarHBondContact O-N 3.32Å; H764-F767 PolarHBondContact O-N 3.08Å; Y765-F767 VanDerWaalsContact C-N 3.35Å; F767-H769 VanDerWaalsContact C-N 3.3Å; F767-H769 PolarHBondContact O-N 3.5Å; F767-G770 PolarHBondContact O-N 3.31Å; F767-L773 HydrophobicContact CE1-CB 4.05Å; F767-L773 HydrophobicContact CE1-CD2 4.14Å; F767-L773 HydrophobicContact CE2-CD2 3.88Å; F767-L773 HydrophobicContact CZ-CB 4.36Å; F767-L773 HydrophobicContact CZ-CD2 3.67Å; F767-L1107 HydrophobicContact CZ-CD2 4.06Å; F767-V1109 HydrophobicContact CE1-CG2 4.39Å; F767-V1109 HydrophobicContact CE2-CG1 4.42Å; F767-V1109 HydrophobicContact CZ-CG2 4.27Å; F767-P1110 HydrophobicContact CE2-CG 4.29Å; F767-R1138 HydrophobicContact CE1-CB 4.09Å; F767-R1138 HydrophobicContact CE1-CG 4.02Å
768	D	88.2	Confident	91.7	Very high	64 Å²	64	18.7 Å²	18.7	34%	0.342	9%	0.094	S	C	.	.	H	α-helix	trans	-60.2	-37.8	178	-73.8	-26.3	0	0	0	112.5	H111 H764 G770 K1112	H111-D768 IonicContact CE1-OD1 2.97Å; H111-D768 PolarHBondContact CE1-OD1 3.46Å; H111-D768 IonicContact ND1-OD1 3.18Å; H111-D768 PolarHBondContact ND1-OD1 3.15Å; H111-D768 VanDerWaalsContact ND1-OD1 3.08Å; H111-D768 IonicContact NE2-OD1 3.15Å; H111-D768 PolarHBondContact NE2-OD1 3.29Å; H111-D768 IonicContact NE2-OD2 3Å; H111-D768 PolarHBondContact NE2-OD2 2.91Å; H764-D768 WeakPolarHBondContact O-CB 3.45Å; H764-D768 VanDerWaalsContact O-CG 3.32Å; H764-D768 PolarHBondContact O-N 2.99Å; D768-G770 PolarHBondContact O-N 3.02Å; D768-K1112 WeakPolarHBondContact OD1-CE 3.33Å; D768-K1112 IonicContact OD1-NZ 3.76Å; D768-K1112 PolarHBondContact OD1-NZ 3.39Å; D768-K1112 WeakPolarHBondContact OD2-CE 3.41Å; D768-K1112 IonicContact OD2-NZ 3.05Å; D768-K1112 PolarHBondContact OD2-NZ 2.92Å
769	H	88.7	Confident	91.3	Very high	68 Å²	68	21.7 Å²	21.7	32%	0.315	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	8.6	175.2	-78.3	-62.4	0	0	0	114.4	Q728 Y765 F767 K771	Q728-H769 VanDerWaalsContact CG-CE1 3.42Å; Q728-H769 WeakPolarHBondContact CG-CE1 3.31Å; Q728-H769 PolarHBondContact NE2-CE1 2.82Å; Y765-H769 WeakPolarHBondContact O-CB 3.34Å; Y765-H769 PolarHBondContact O-CD2 3.29Å; Y765-H769 PolarHBondContact O-N 2.91Å; F767-H769 VanDerWaalsContact C-N 3.3Å; F767-H769 PolarHBondContact O-N 3.5Å; H769-K771 HydrophobicContact CB-CG 4.07Å; H769-K771 PolarHBondContact O-N 3.13Å
770	G	87.5	Confident	90.6	Very high	33 Å²	33	27.1 Å²	27.1	34%	0.34	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.8	26.2	175.9	0	0	0	0	0	114	F767 D768 N1140	F767-G770 PolarHBondContact O-N 3.31Å; D768-G770 PolarHBondContact O-N 3.02Å; G770-N1140 VanDerWaalsContact O-CB 3.25Å; G770-N1140 WeakPolarHBondContact O-CB 3.29Å; G770-N1140 PolarHBondContact O-ND2 3.06Å
771	K	90.5	Very high	90	Very high	39 Å²	39	28.4 Å²	28.4	17%	0.17	16%	0.155	C	C	.	.			trans	-87.5	153.6	178.6	-51.4	-59.4	-178.2	172.4	0	109.9	L727 P737 N738 G766 H769	L727-K771 HydrophobicContact CD2-CG 4.19Å; P737-K771 PolarHBondContact O-NZ 2.92Å; N738-K771 WeakPolarHBondContact O-CA 3.05Å; G766-K771 WeakPolarHBondContact O-CB 3.37Å; G766-K771 PolarHBondContact O-N 3.13Å; H769-K771 HydrophobicContact CB-CG 4.07Å; H769-K771 PolarHBondContact O-N 3.13Å
772	G	92.6	Very high	89.4	Confident	1 Å²	1	27.7 Å²	27.7	1%	0.01	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	146.9	157.7	0	0	0	0	0	109.4	N738 I739 L740 R1138	N738-G772 PolarHBondContact O-N 3.28Å; I739-G772 CarbonylContact C-O 3.46Å; I739-G772 VanDerWaalsContact CA-O 3.28Å; I739-G772 WeakPolarHBondContact CA-O 3.19Å; L740-G772 PolarHBondContact N-O 3.13Å; G772-R1138 CarbonylContact C-O 3.45Å; G772-R1138 WeakPolarHBondContact CA-O 3.07Å
773	L	94.9	Very high	88.5	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	134.5	177.1	-175.7	59.6	0	0	0	109.8	L740 L742 I763 F767 I775 L1107 V1137 R1138	L740-L773 HydrophobicContact CB-CD1 4.08Å; L740-L773 HydrophobicContact CD2-CD1 3.94Å; L740-L773 HydrophobicContact CG-CD1 3.98Å; L740-L773 CarbonylContact O-C 3.55Å; L740-L773 WeakPolarHBondContact O-CA 3.4Å; L742-L773 HydrophobicContact CD1-CD1 3.96Å; L742-L773 HydrophobicContact CG-CD1 4.15Å; I763-L773 HydrophobicContact CB-CD2 4.29Å; I763-L773 HydrophobicContact CG1-CD2 4.26Å; I763-L773 HydrophobicContact CG2-CD2 3.76Å; F767-L773 HydrophobicContact CE1-CB 4.05Å; F767-L773 HydrophobicContact CE1-CD2 4.14Å; F767-L773 HydrophobicContact CE2-CD2 3.88Å; F767-L773 HydrophobicContact CZ-CB 4.36Å; F767-L773 HydrophobicContact CZ-CD2 3.67Å; L773-I775 HydrophobicContact CD2-CD1 4.47Å; L773-I775 HydrophobicContact CG-CG1 4.35Å; L773-L1107 HydrophobicContact CB-CD2 4.38Å; L773-L1107 HydrophobicContact CD2-CD2 3.6Å; L773-L1107 HydrophobicContact CG-CD2 3.97Å; L773-V1137 CarbonylContact O-C 3.52Å; L773-V1137 WeakPolarHBondContact O-CA 3.41Å; L773-R1138 PolarHBondContact N-O 2.95Å; L773-R1138 PolarHBondContact O-N 2.75Å
774	A	95.7	Very high	87.6	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	131.2	174.4	0	0	0	0	0	110	I739 L740 F741 L742 L1135 L1136	I739-A774 HydrophobicContact CG2-CB 4.2Å; L740-A774 PolarHBondContact O-N 2.86Å; F741-A774 CarbonylContact C-O 3.58Å; F741-A774 WeakPolarHBondContact CA-O 3.44Å; F741-A774 HydrophobicContact CB-CB 4.43Å; F741-A774 HydrophobicContact CD2-CB 3.59Å; F741-A774 HydrophobicContact CE2-CB 3.87Å; F741-A774 HydrophobicContact CG-CB 3.96Å; F741-A774 HydrophobicContact CZ-CB 4.46Å; L742-A774 PolarHBondContact N-O 3.13Å; A774-L1135 HydrophobicContact CB-CD1 4.37Å; A774-L1136 CarbonylContact C-O 3.6Å; A774-L1136 VanDerWaalsContact CA-O 3.3Å; A774-L1136 WeakPolarHBondContact CA-O 3.44Å
775	I	96.1	Very high	86.5	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	113.4	177.4	-47.7	-179.1	0	0	0	108.3	L742 Y744 Y759 I763 L773 L1107 L1136	L742-I775 HydrophobicContact CB-CG1 4.3Å; L742-I775 HydrophobicContact CB-CG2 4.44Å; L742-I775 HydrophobicContact CD1-CD1 4.5Å; L742-I775 HydrophobicContact CD1-CG1 4.37Å; L742-I775 WeakPolarHBondContact O-CA 3.26Å; Y744-I775 HydrophobicContact CD2-CG2 4.1Å; Y759-I775 WeakPolarHBondContact OH-CG2 3.31Å; I763-I775 HydrophobicContact CD1-CD1 3.78Å; I763-I775 HydrophobicContact CG1-CD1 4.25Å; L773-I775 HydrophobicContact CD2-CD1 4.47Å; L773-I775 HydrophobicContact CG-CG1 4.35Å; I775-L1107 HydrophobicContact CD1-CD1 4.15Å; I775-L1107 HydrophobicContact CD1-CD2 4.16Å; I775-L1136 HydrophobicContact CB-CB 4.22Å; I775-L1136 HydrophobicContact CB-CD1 4.25Å; I775-L1136 PolarHBondContact N-O 3.22Å; I775-L1136 PolarHBondContact O-N 3.27Å
776	L	95	Very high	85.1	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	133	175.1	-175.7	69.2	0	0	0	109.5	L659 F662 F741 L742 Y744 F782 F953 V1134 L1135	L659-L776 HydrophobicContact CD1-CB 4.39Å; L659-L776 HydrophobicContact CD1-CD2 4.17Å; F662-L776 HydrophobicContact CB-CD2 3.93Å; F662-L776 HydrophobicContact CD1-CD1 4.33Å; F662-L776 HydrophobicContact CD1-CD2 3.82Å; F662-L776 HydrophobicContact CD2-CD1 4.46Å; F662-L776 HydrophobicContact CD2-CD2 4.22Å; F662-L776 HydrophobicContact CE1-CD1 4.04Å; F662-L776 HydrophobicContact CE1-CD2 4.36Å; F662-L776 HydrophobicContact CE2-CD1 4.18Å; F662-L776 HydrophobicContact CG-CD2 3.72Å; F662-L776 HydrophobicContact CZ-CD1 3.96Å; F741-L776 HydrophobicContact CE1-CB 3.72Å; F741-L776 HydrophobicContact CZ-CB 4.06Å; L742-L776 PolarHBondContact O-N 3.36Å; Y744-L776 WeakPolarHBondContact CB-O 3.35Å; Y744-L776 PolarHBondContact N-O 3.12Å; L776-F782 HydrophobicContact CB-CZ 4Å; L776-F782 HydrophobicContact CD2-CE1 3.76Å; L776-F782 HydrophobicContact CD2-CZ 3.99Å; L776-F782 HydrophobicContact CG-CE1 4.11Å; L776-F782 HydrophobicContact CG-CZ 3.82Å; L776-F782 WeakPolarHBondContact O-CE2 3.48Å; L776-F782 WeakPolarHBondContact O-CZ 3.36Å; L776-F953 HydrophobicContact CD2-CE2 4.36Å; L776-F953 HydrophobicContact CD2-CZ 4.38Å; L776-V1134 CarbonylContact C-O 3.53Å; L776-V1134 WeakPolarHBondContact CA-O 3.27Å; L776-L1135 HydrophobicContact CB-CD1 4.05Å; L776-L1135 HydrophobicContact CD1-CB 4.3Å; L776-L1135 HydrophobicContact CD1-CD1 4.1Å
777	R	92.9	Very high	83.7	Confident	34 Å²	34	36.6 Å²	36.6	13%	0.128	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135	167.8	-174.9	-180	179.7	139	4.5	109.9	Y744 E1125 T1128 P1133 V1134	Y744-R777 HydrophobicContact CD1-CB 4.46Å; Y744-R777 HydrophobicContact CD1-CG 3.92Å; Y744-R777 HydrophobicContact CG-CB 4.07Å; Y744-R777 HydrophobicContact CG-CG 4.05Å; R777-E1125 IonicContact CZ-OE1 3.48Å; R777-E1125 IonicContact CZ-OE2 2.87Å; R777-E1125 VanDerWaalsContact NH1-CD 3.27Å; R777-E1125 IonicContact NH1-OE1 3.48Å; R777-E1125 PolarHBondContact NH1-OE1 3.26Å; R777-E1125 IonicContact NH1-OE2 2.55Å; R777-E1125 PolarHBondContact NH1-OE2 3.29Å; R777-E1125 VanDerWaalsContact NH2-CD 3.3Å; R777-E1125 IonicContact NH2-OE1 2.71Å; R777-E1125 PolarHBondContact NH2-OE1 3.36Å; R777-E1125 IonicContact NH2-OE2 2.46Å; R777-E1125 PolarHBondContact NH2-OE2 2.88Å; R777-E1125 VanDerWaalsContact NH2-OE2 3.13Å; R777-T1128 WeakPolarHBondContact CD-OG1 3.43Å; R777-T1128 PolarHBondContact NH1-OG1 3.07Å; R777-P1133 WeakPolarHBondContact O-CA 3.26Å; R777-V1134 PolarHBondContact N-O 2.93Å; R777-V1134 PolarHBondContact O-N 3.42Å
778	L	89.2	Confident	82.3	Confident	14 Å²	14	37.7 Å²	37.7	7%	0.073	21%	0.213	C	C	.	.			trans	-113.1	144.2	169.7	-75.1	179.9	0	0	0	110.3	E658 K780 G781 F782 F953 P1133	E658-L778 HydrophobicContact CB-CD1 4.32Å; E658-L778 VanDerWaalsContact OE2-CD1 3.22Å; E658-L778 WeakPolarHBondContact OE2-CD1 3.4Å; L778-K780 PolarHBondContact O-N 3.43Å; L778-G781 PolarHBondContact O-N 2.94Å; L778-F782 HydrophobicContact CB-CE1 4.28Å; L778-F782 HydrophobicContact CB-CZ 4.24Å; L778-F782 HydrophobicContact CD1-CD1 3.66Å; L778-F782 HydrophobicContact CD1-CE1 3.4Å; L778-F782 HydrophobicContact CD1-CZ 4.17Å; L778-F782 HydrophobicContact CG-CD1 4.26Å; L778-F782 HydrophobicContact CG-CE1 3.58Å; L778-F782 HydrophobicContact CG-CZ 3.86Å; L778-F953 HydrophobicContact CD1-CE2 4.33Å; L778-F953 HydrophobicContact CD2-CE2 4.39Å; L778-F953 HydrophobicContact CD2-CZ 3.88Å; L778-P1133 HydrophobicContact CD2-CB 3.89Å; L778-P1133 HydrophobicContact CD2-CG 3.81Å
779	P	81.3	Confident	81	Confident	92 Å²	92	39.8 Å²	39.8	60%	0.597	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-18.6	-180	-26.8	35	0	0	0	115.4
780	K	77.3	Confident	79.5	Confident	139 Å²	139	43 Å²	43	60%	0.604	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.4	7.6	179.6	-61.9	-171.5	177.6	-172.3	0	113.9	L778 Q949	L778-K780 PolarHBondContact O-N 3.43Å; K780-Q949 HydrophobicContact CD-CG 4.47Å
781	G	80.9	Confident	77.7	Confident	29 Å²	29	44.1 Å²	44.1	30%	0.299	24%	0.235	S	C	.	.			trans	72.1	-167.5	-169.6	0	0	0	0	0	113.4	L778	L778-G781 PolarHBondContact O-N 2.94Å
782	F	78.1	Confident	75.5	Confident	14 Å²	14	44.6 Å²	44.6	6%	0.061	24%	0.239	C	C	.	.	S	Bend	trans	-117.8	-14.4	-174.9	-63.5	-78.8	0	0	0	114.7	R656 L659 L776 L778	R656-F782 HydrophobicContact CB-CB 4.3Å; R656-F782 HydrophobicContact CG-CB 4.01Å; L659-F782 HydrophobicContact CB-CD1 4.11Å; L659-F782 HydrophobicContact CB-CE1 4.4Å; L659-F782 HydrophobicContact CD1-CE1 4.33Å; L776-F782 HydrophobicContact CB-CZ 4Å; L776-F782 HydrophobicContact CD2-CE1 3.76Å; L776-F782 HydrophobicContact CD2-CZ 3.99Å; L776-F782 HydrophobicContact CG-CE1 4.11Å; L776-F782 HydrophobicContact CG-CZ 3.82Å; L776-F782 WeakPolarHBondContact O-CE2 3.48Å; L776-F782 WeakPolarHBondContact O-CZ 3.36Å; L778-F782 HydrophobicContact CB-CE1 4.28Å; L778-F782 HydrophobicContact CB-CZ 4.24Å; L778-F782 HydrophobicContact CD1-CD1 3.66Å; L778-F782 HydrophobicContact CD1-CE1 3.4Å; L778-F782 HydrophobicContact CD1-CZ 4.17Å; L778-F782 HydrophobicContact CG-CD1 4.26Å; L778-F782 HydrophobicContact CG-CE1 3.58Å; L778-F782 HydrophobicContact CG-CZ 3.86Å
783	D	73.7	Confident	72.9	Confident	77 Å²	77	51.2 Å²	51.2	41%	0.412	27%	0.268	S	S	.	.			trans	-90.8	115.8	-164.6	-152	-44.1	0	0	0	111.3	R656 S785	R656-D783 IonicContact NE-OD2 2.72Å; R656-D783 IonicContact NH2-OD2 3.18Å; D783-S785 WeakPolarHBondContact OD1-CB 3.4Å; D783-S785 PolarHBondContact OD1-N 3.36Å; D783-S785 PolarHBondContact OD1-OG 2.67Å
784	I	72.7	Confident	70.2	Confident	12 Å²	12	54.4 Å²	54.4	6%	0.062	29%	0.29	C	S	.	.			trans	-98.9	6.9	-176.7	-48.6	-175.6	0	0	0	110.7	R655 P657 S786 M787 L788 L950	R655-I784 PolarHBondContact O-N 2.91Å; R655-I784 VanDerWaalsContact O-N 3.08Å; P657-I784 HydrophobicContact CG-CD1 3.61Å; I784-S786 VanDerWaalsContact C-N 3.31Å; I784-S786 PolarHBondContact O-N 3.17Å; I784-M787 HydrophobicContact CG2-CB 3.84Å; I784-M787 HydrophobicContact CG2-CG 4.16Å; I784-M787 HydrophobicContact CG2-SD 4.06Å; I784-M787 PolarHBondContact O-N 3.39Å; I784-L788 PolarHBondContact O-N 2.89Å; I784-L950 HydrophobicContact CD1-CD2 3.6Å; I784-L950 HydrophobicContact CD1-CG 4Å
785	S	68	Low	67.5	Low	20 Å²	20	59.4 Å²	59.4	14%	0.14	32%	0.317	C	S	.	.	H	α-helix	trans	-52.2	-43.7	-175.7	-62	0	0	0	0	113.4	R655 D783 M787 L788 Y789	R655-S785 WeakPolarHBondContact CD-OG 3.48Å; D783-S785 WeakPolarHBondContact OD1-CB 3.4Å; D783-S785 PolarHBondContact OD1-N 3.36Å; D783-S785 PolarHBondContact OD1-OG 2.67Å; S785-M787 PolarHBondContact O-N 2.94Å; S785-L788 WeakPolarHBondContact O-CB 3.49Å; S785-L788 PolarHBondContact O-N 3.47Å; S785-L788 VanDerWaalsContact O-N 3.13Å; S785-Y789 WeakPolarHBondContact O-CD2 3.35Å; S785-Y789 PolarHBondContact O-N 3.05Å
786	S	63.7	Low	64.6	Low	72 Å²	72	62.8 Å²	62.8	50%	0.503	34%	0.341	S	S	.	.	H	α-helix	trans	-57.6	-45.5	177	51.3	0	0	0	0	112.6	I784 L788 Y789 E790	I784-S786 VanDerWaalsContact C-N 3.31Å; I784-S786 PolarHBondContact O-N 3.17Å; S786-L788 VanDerWaalsContact C-N 3.32Å; S786-L788 PolarHBondContact O-N 3.29Å; S786-Y789 PolarHBondContact O-N 3.22Å; S786-E790 WeakPolarHBondContact O-CG 3.31Å; S786-E790 PolarHBondContact O-N 2.98Å
787	M	60.6	Low	61.8	Low	60 Å²	60	69.1 Å²	69.1	30%	0.296	37%	0.374	S	S	.	.	H	α-helix	trans	-68.6	-30.3	177.6	-53.1	-172.3	-164.8	0	0	112.5	I784 S785 S791	I784-M787 HydrophobicContact CG2-CB 3.84Å; I784-M787 HydrophobicContact CG2-CG 4.16Å; I784-M787 HydrophobicContact CG2-SD 4.06Å; I784-M787 PolarHBondContact O-N 3.39Å; S785-M787 PolarHBondContact O-N 2.94Å; M787-S791 VanDerWaalsContact O-CB 3.3Å; M787-S791 WeakPolarHBondContact O-CB 3.06Å; M787-S791 PolarHBondContact O-N 3.41Å; M787-S791 PolarHBondContact O-OG 3.29Å
788	L	61.6	Low	59.4	Low	23 Å²	23	72.5 Å²	72.5	12%	0.12	40%	0.399	C	S	.	.	H	α-helix	trans	-69.4	-34	174.3	-67.1	172.3	0	0	0	112.1	I654 I784 S785 S786 S791 N792	I654-L788 HydrophobicContact CG2-CD1 4.12Å; I784-L788 PolarHBondContact O-N 2.89Å; S785-L788 WeakPolarHBondContact O-CB 3.49Å; S785-L788 PolarHBondContact O-N 3.47Å; S785-L788 VanDerWaalsContact O-N 3.13Å; S786-L788 VanDerWaalsContact C-N 3.32Å; S786-L788 PolarHBondContact O-N 3.29Å; L788-S791 PolarHBondContact O-OG 3.07Å; L788-N792 PolarHBondContact O-ND2 3.42Å
789	Y	60.5	Low	56.6	Low	108 Å²	108	78.8 Å²	78.8	42%	0.424	43%	0.432	S	S	.	.	H	α-helix	trans	-74.8	-47.5	172.2	-70.4	-64.9	0	0	0	112.1	S785 S786 S791 N792 F793 F912	S785-Y789 WeakPolarHBondContact O-CD2 3.35Å; S785-Y789 PolarHBondContact O-N 3.05Å; S786-Y789 PolarHBondContact O-N 3.22Å; Y789-S791 PolarHBondContact O-N 3.42Å; Y789-N792 PolarHBondContact O-N 2.94Å; Y789-F793 PolarHBondContact O-N 3.25Å; Y789-F912 AromaticContact CD1-CE1 3.68Å; Y789-F912 HydrophobicContact CD1-CE1 3.68Å; Y789-F912 HydrophobicContact CD1-CE2 4.35Å; Y789-F912 AromaticContact CD1-CZ 3.45Å; Y789-F912 HydrophobicContact CD1-CZ 3.45Å; Y789-F912 VanDerWaalsContact CD1-CZ 3.45Å; Y789-F912 AromaticContact CE1-CD1 3.91Å; Y789-F912 HydrophobicContact CE1-CD1 3.91Å; Y789-F912 AromaticContact CE1-CE1 3.21Å; Y789-F912 HydrophobicContact CE1-CE1 3.21Å; Y789-F912 HydrophobicContact CE1-CE2 4.15Å; Y789-F912 AromaticContact CE1-CZ 3.36Å; Y789-F912 HydrophobicContact CE1-CZ 3.36Å; Y789-F912 AromaticContact CZ-CE1 3.81Å
790	E	55.8	Low	54.1	Low	135 Å²	135	77.2 Å²	77.2	63%	0.631	43%	0.433	S	S	*	.	H	α-helix	trans	-61.1	-43.3	-178.8	-76.4	178.1	-176	0	0	113.4	S786 N792 F793 S794	S786-E790 WeakPolarHBondContact O-CG 3.31Å; S786-E790 PolarHBondContact O-N 2.98Å; E790-N792 VanDerWaalsContact C-N 3.28Å; E790-N792 PolarHBondContact O-N 2.99Å; E790-F793 PolarHBondContact O-N 2.94Å; E790-S794 PolarHBondContact O-N 3.31Å
791	S	50	Low	51.8	Low	58 Å²	58	79.1 Å²	79.1	41%	0.406	45%	0.449	S	S	.	.	H	α-helix	trans	-62.9	-32.3	-176.8	49.9	0	0	0	0	113.4	M787 L788 Y789 S794	M787-S791 VanDerWaalsContact O-CB 3.3Å; M787-S791 WeakPolarHBondContact O-CB 3.06Å; M787-S791 PolarHBondContact O-N 3.41Å; M787-S791 PolarHBondContact O-OG 3.29Å; L788-S791 PolarHBondContact O-OG 3.07Å; Y789-S791 PolarHBondContact O-N 3.42Å; S791-S794 PolarHBondContact O-OG 3.07Å
792	N	45.3	Very low	49.3	Very low	48 Å²	48	83.2 Å²	83.2	26%	0.257	47%	0.472	S	S	.	.	H	α-helix	trans	-77.9	-29.9	173.6	-69.4	-62.1	0	0	0	112.5	L788 Y789 E790 S794 D795 S796 T916	L788-N792 PolarHBondContact O-ND2 3.42Å; Y789-N792 PolarHBondContact O-N 2.94Å; E790-N792 VanDerWaalsContact C-N 3.28Å; E790-N792 PolarHBondContact O-N 2.99Å; N792-S794 VanDerWaalsContact C-N 3.32Å; N792-S794 PolarHBondContact O-N 2.73Å; N792-D795 PolarHBondContact O-N 3.43Å; N792-S796 WeakPolarHBondContact O-CB 3.4Å; N792-S796 PolarHBondContact O-N 3.35Å; N792-S796 PolarHBondContact O-OG 3.11Å; N792-T916 VanDerWaalsContact ND2-CG2 3.34Å; N792-T916 WeakPolarHBondContact ND2-CG2 3.3Å
793	F	38.7	Very low	47	Very low	141 Å²	141	85.2 Å²	85.2	62%	0.618	49%	0.492	S	S	*	.	H	α-helix	trans	-66.7	-34.8	177	-135.2	-86.6	0	0	0	111.9	Y789 E790 S796 L797	Y789-F793 PolarHBondContact O-N 3.25Å; E790-F793 PolarHBondContact O-N 2.94Å; F793-S796 WeakPolarHBondContact CA-OG 3.37Å; F793-S796 PolarHBondContact O-OG 3.37Å; F793-L797 HydrophobicContact CD1-CD1 3.81Å; F793-L797 HydrophobicContact CD1-CG 4.23Å; F793-L797 HydrophobicContact CE1-CD1 4.18Å; F793-L797 HydrophobicContact CE1-CG 4.45Å; F793-L797 WeakPolarHBondContact O-CB 3.22Å; F793-L797 WeakPolarHBondContact O-CG 3.32Å; F793-L797 PolarHBondContact O-N 3Å; F793-L797 VanDerWaalsContact O-N 3.16Å
794	S	37.9	Very low	44.8	Very low	67 Å²	67	87.5 Å²	87.5	47%	0.469	51%	0.511	S	S	.	.	H	α-helix	trans	-68.1	-36.7	172.4	47.1	0	0	0	0	113.7	E790 S791 N792	E790-S794 PolarHBondContact O-N 3.31Å; S791-S794 PolarHBondContact O-OG 3.07Å; N792-S794 VanDerWaalsContact C-N 3.32Å; N792-S794 PolarHBondContact O-N 2.73Å
795	D	39.2	Very low	42.8	Very low	105 Å²	105	95 Å²	95	56%	0.561	55%	0.545	S	S	*	.	H	α-helix	trans	-76.5	-39.4	178.9	-77.4	1.5	0	0	0	110.9	N792 L797 T798 D799	N792-D795 PolarHBondContact O-N 3.43Å; D795-L797 VanDerWaalsContact C-N 3.34Å; D795-L797 PolarHBondContact O-N 2.82Å; D795-T798 PolarHBondContact O-N 3.11Å; D795-T798 PolarHBondContact O-OG1 3.28Å; D795-D799 PolarHBondContact O-N 3.46Å
796	S	35.5	Very low	41	Very low	71 Å²	71	99.7 Å²	99.7	50%	0.497	57%	0.565	S	S	.	*	H	α-helix	trans	-70.2	-24.6	177.6	61.6	0	0	0	0	114.3	N792 F793 T798	N792-S796 WeakPolarHBondContact O-CB 3.4Å; N792-S796 PolarHBondContact O-N 3.35Å; N792-S796 PolarHBondContact O-OG 3.11Å; F793-S796 WeakPolarHBondContact CA-OG 3.37Å; F793-S796 PolarHBondContact O-OG 3.37Å; S796-T798 PolarHBondContact O-N 3.05Å
797	L	35.4	Very low	39.5	Very low	132 Å²	132	104.5 Å²	104.5	69%	0.691	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	-8.6	170.6	-77.4	170	0	0	0	113.2	F793 D795	F793-L797 HydrophobicContact CD1-CD1 3.81Å; F793-L797 HydrophobicContact CD1-CG 4.23Å; F793-L797 HydrophobicContact CE1-CD1 4.18Å; F793-L797 HydrophobicContact CE1-CG 4.45Å; F793-L797 WeakPolarHBondContact O-CB 3.22Å; F793-L797 WeakPolarHBondContact O-CG 3.32Å; F793-L797 PolarHBondContact O-N 3Å; F793-L797 VanDerWaalsContact O-N 3.16Å; D795-L797 VanDerWaalsContact C-N 3.34Å; D795-L797 PolarHBondContact O-N 2.82Å
798	T	41.4	Very low	38	Very low	106 Å²	106	106.1 Å²	106.1	65%	0.65	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	-20.1	176.1	54.2	0	0	0	0	114.9	D795 S796	D795-T798 PolarHBondContact O-N 3.11Å; D795-T798 PolarHBondContact O-OG1 3.28Å; S796-T798 PolarHBondContact O-N 3.05Å
799	D	31.4	Very low	36.5	Very low	146 Å²	146	112.2 Å²	112.2	78%	0.781	62%	0.624	S	S	*	*	S	Bend	trans	-109.5	78	171.7	-83.1	-24.7	0	0	0	110.6	D795	D795-D799 PolarHBondContact O-N 3.46Å
800	G	29.5	Very low	35	Very low	59 Å²	59	115.6 Å²	115.6	61%	0.608	64%	0.636	S	S	*	*			trans	-71.4	141.1	178.3	0	0	0	0	0	114
801	L	28.2	Very low	33.9	Very low	179 Å²	179	118.1 Å²	118.1	94%	0.937	64%	0.641	S	S	*	*	S	Bend	trans	60.5	64.6	161.4	-62.5	114.8	0	0	0	118.6
802	S	28.8	Very low	32.8	Very low	114 Å²	114	119 Å²	119	80%	0.797	65%	0.652	S	S	*	*			trans	-169.8	126.5	136.1	56.2	0	0	0	0	115.7
803	A	28.2	Very low	31.9	Very low	56 Å²	56	123.3 Å²	123.3	46%	0.463	68%	0.68	S	S	.	*			trans	56.4	101	149.1	0	0	0	0	0	121	E805	A803-E805 VanDerWaalsContact C-N 3.27Å; A803-E805 PolarHBondContact O-N 3.44Å
804	P	27.8	Very low	31.4	Very low	125 Å²	125	121.7 Å²	121.7	81%	0.812	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-69.2	-13.8	165.5	-19.3	33.4	0	0	0	115.5	Q806	P804-Q806 PolarHBondContact O-N 3.26Å
805	E	31.7	Very low	30.8	Very low	170 Å²	170	126.8 Å²	126.8	79%	0.794	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-80.2	-14.8	-167	-65	-177.1	141.4	0	0	115.3	A803	A803-E805 VanDerWaalsContact C-N 3.27Å; A803-E805 PolarHBondContact O-N 3.44Å
806	Q	30.1	Very low	30.2	Very low	118 Å²	118	128.9 Å²	128.9	55%	0.551	71%	0.706	S	S	*	*	G	3₁₀ helix	trans	-88.1	-5.8	-173.5	-69	-169.2	-0.1	0	0	115.5	P804	P804-Q806 PolarHBondContact O-N 3.26Å
807	Y	31.1	Very low	30	Very low	174 Å²	174	133.4 Å²	133.4	68%	0.682	72%	0.724	S	S	*	*	S	Bend	trans	-82.8	-26.1	-174.6	-89.8	-95	0	0	0	114.6
808	A	31	Very low	29.6	Very low	93 Å²	93	137.7 Å²	137.7	77%	0.769	73%	0.732	S	S	*	*	S	Bend	trans	-73.8	-29	-177.5	0	0	0	0	0	113.9
809	Q	29.9	Very low	29.1	Very low	152 Å²	152	139.4 Å²	139.4	71%	0.71	74%	0.741	S	S	*	*	S	Bend	trans	-88.8	-16.2	-173.7	-73.2	174.8	-22.3	0	0	114.5	Y811	Q809-Y811 VanDerWaalsContact C-N 3.32Å; Q809-Y811 PolarHBondContact O-N 3.05Å
810	R	28.7	Very low	28.8	Very low	178 Å²	178	137.7 Å²	137.7	67%	0.672	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.5	-6.4	-176.7	-85.2	-174.8	178.4	148.4	5.6	115.7
811	Y	31.3	Very low	28.9	Very low	189 Å²	189	141 Å²	141	74%	0.741	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	5.8	176.3	-70.8	-77.5	0	0	0	114	Q809 V813	Q809-Y811 VanDerWaalsContact C-N 3.32Å; Q809-Y811 PolarHBondContact O-N 3.05Å; Y811-V813 PolarHBondContact O-N 3.37Å
812	A	27.2	Very low	28.9	Very low	77 Å²	77	140.8 Å²	140.8	64%	0.636	75%	0.75	S	S	*	*	S	Bend	trans	-75.3	95.1	158.1	0	0	0	0	0	110	S814	A812-S814 PolarHBondContact O-N 3.28Å
813	V	27.5	Very low	28.7	Very low	138 Å²	138	146.6 Å²	146.6	84%	0.836	76%	0.755	S	S	*	*			trans	28.6	81.5	158.5	-167.4	0	0	0	0	116.4	Y811	Y811-V813 PolarHBondContact O-N 3.37Å
814	S	27	Very low	28.6	Very low	106 Å²	106	149.9 Å²	149.9	74%	0.741	77%	0.769	S	S	*	*			trans	-123.8	101.4	155.8	-168.6	0	0	0	0	107.2	A812	A812-S814 PolarHBondContact O-N 3.28Å
815	R	26.1	Very low	28.6	Very low	174 Å²	174	150.4 Å²	150.4	66%	0.657	77%	0.771	S	S	*	*				49.5	119.2	87.4	-74.5	-169.6	173.7	158.1	3.2	113.3
816	D	26.2	Very low	28.3	Very low	150 Å²	150	146.2 Å²	146.2	80%	0.802	77%	0.765	S	S	*	*			trans	62.5	99	173.6	-60.4	-43.7	0	0	0	117.6
817	D	31.4	Very low	28	Very low	165 Å²	165	145.8 Å²	145.8	88%	0.882	78%	0.775	S	S	*	*				-155.2	151	117.1	-131.7	-24.8	0	0	0	114.7
818	R	27.1	Very low	27.7	Very low	223 Å²	223	144.9 Å²	144.9	84%	0.842	78%	0.779	S	S	*	*			trans	-103.9	118.2	-170.2	-62.2	172.6	-179.9	163.8	2.4	112.6
819	V	30.7	Very low	27.5	Very low	141 Å²	141	145.8 Å²	145.8	86%	0.855	77%	0.771	S	S	*	*			trans	-139	111.5	161.7	-171.8	0	0	0	0	112.2
820	S	24.8	Very low	27.3	Very low	110 Å²	110	143.8 Å²	143.8	77%	0.769	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-76.1	137.2	176.7	-36.8	0	0	0	0	112.5
821	P	32.5	Very low	27.3	Very low	128 Å²	128	141 Å²	141	83%	0.831	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-85.6	125.8	163.2	-3.9	22.4	0	0	0	110.8
822	L	28.2	Very low	27.2	Very low	175 Å²	175	138.1 Å²	138.1	92%	0.916	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-68.3	142.9	173.6	-87.7	141.1	0	0	0	112.3
823	R	23.7	Very low	27.4	Very low	237 Å²	237	138.5 Å²	138.5	89%	0.894	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-52.7	137.2	163.2	-90.5	173.2	154.9	178.8	-6.9	111.2
824	T	27.4	Very low	27.5	Very low	124 Å²	124	138 Å²	138	76%	0.761	75%	0.754	S	S	*	*				-171.6	135.9	118.7	21.2	0	0	0	0	112.1
825	T	27	Very low	27.7	Very low	137 Å²	137	135.2 Å²	135.2	84%	0.84	74%	0.735	S	S	*	*			trans	54.1	144.3	153.4	59.7	0	0	0	0	120.6
826	A	25.2	Very low	27.9	Very low	81 Å²	81	132 Å²	132	67%	0.669	74%	0.735	S	S	*	*			cis	-169.1	146.1	-20.7	0	0	0	0	0	107.9
827	S	24.5	Very low	28.1	Very low	110 Å²	110	127.4 Å²	127.4	77%	0.769	72%	0.723	S	S	*	*			trans	59	147.3	164.1	64	0	0	0	0	121.5
828	M	24.8	Very low	28	Very low	154 Å²	154	123.1 Å²	123.1	76%	0.759	70%	0.7	S	S	*	*	S	Bend	trans	84.3	123.3	166	-52.9	-176.9	80.4	0	0	118.4
829	D	26.2	Very low	28.2	Very low	113 Å²	113	119.3 Å²	119.3	60%	0.604	69%	0.686	S	S	*	*			trans	71.3	53.4	161.8	-47.6	-23	0	0	0	118.8	V831	D829-V831 PolarHBondContact O-N 3.4Å
830	S	24.9	Very low	28.1	Very low	109 Å²	109	115.2 Å²	115.2	76%	0.762	67%	0.667	S	S	*	*			trans	-61.6	123.6	146.1	53	0	0	0	0	110.4
831	V	28.7	Very low	28.1	Very low	121 Å²	121	120.7 Å²	120.7	73%	0.733	67%	0.673	S	S	*	*	S	Bend	trans	169.1	-22.1	148	151.1	0	0	0	0	112.6	D829	D829-V831 PolarHBondContact O-N 3.4Å
832	F	30.9	Very low	28	Very low	128 Å²	128	122 Å²	122	56%	0.561	67%	0.668	S	S	*	*	S	Bend	trans	-123.7	1.9	-174	-90.3	-72.5	0	0	0	117.5	S835	F832-S835 PolarHBondContact O-OG 2.93Å
833	T	30.9	Very low	27.9	Very low	85 Å²	85	119 Å²	119	52%	0.521	65%	0.653	S	S	.	*	S	Bend	trans	-91.4	-4.6	-170.8	35	0	0	0	0	116.2	Y708	Y708-T833 HydrophobicContact CE1-CG2 4.16Å
834	D	29.6	Very low	28.1	Very low	126 Å²	126	112.6 Å²	112.6	67%	0.674	64%	0.642	S	S	*	*	S	Bend	trans	-109.6	-2.1	-177.1	-105.5	-55.4	0	0	0	114.8	K608	K608-D834 IonicContact NZ-OD1 3.65Å; K608-D834 PolarHBondContact NZ-OD1 3.42Å
835	S	31.4	Very low	28.3	Very low	48 Å²	48	117.4 Å²	117.4	34%	0.336	65%	0.646	S	S	.	*			trans	-100	7.2	-164	55	0	0	0	0	117	S621 F832 G837	S621-S835 VanDerWaalsContact OG-CB 3.29Å; S621-S835 WeakPolarHBondContact OG-CB 3.42Å; F832-S835 PolarHBondContact O-OG 2.93Å; S835-G837 PolarHBondContact O-N 3.34Å
836	V	29.6	Very low	28.6	Very low	106 Å²	106	117.4 Å²	117.4	64%	0.642	64%	0.635	S	S	*	*			trans	-96.6	74.1	171.6	-171.7	0	0	0	0	109.4	L838	V836-L838 HydrophobicContact CG1-CD1 4.08Å
837	G	29.8	Very low	29	Very low	54 Å²	54	121.4 Å²	121.4	56%	0.557	64%	0.637	S	S	*	*			trans	-82.7	113.9	167.3	0	0	0	0	0	110	S835 Y839	S835-G837 PolarHBondContact O-N 3.34Å; G837-Y839 PolarHBondContact O-N 2.96Å
838	L	29.1	Very low	29.2	Very low	75 Å²	75	123.6 Å²	123.6	39%	0.393	64%	0.64	S	S	.	*			trans	-79.3	103	169.8	-92.1	81.6	0	0	0	109.4	K696 I699 V836	K696-L838 HydrophobicContact CB-CD2 4.34Å; K696-L838 HydrophobicContact CG-CD2 3.78Å; I699-L838 HydrophobicContact CD1-CD1 4.16Å; I699-L838 HydrophobicContact CD1-CD2 3.91Å; I699-L838 HydrophobicContact CD1-CG 4.49Å; I699-L838 HydrophobicContact CG2-CD1 3.82Å; V836-L838 HydrophobicContact CG1-CD1 4.08Å
839	Y	31.3	Very low	29.3	Very low	143 Å²	143	120.9 Å²	120.9	56%	0.561	64%	0.636	S	S	*	*			trans	-126.6	103.3	152.2	-71.2	-69.6	0	0	0	108.3	N612 G837	N612-Y839 WeakPolarHBondContact OD1-CE1 3.32Å; G837-Y839 PolarHBondContact O-N 2.96Å
840	A	28.5	Very low	29.3	Very low	56 Å²	56	125.6 Å²	125.6	46%	0.463	65%	0.645	S	S	.	*			trans	-60.1	143.4	165.4	0	0	0	0	0	108.7	E692 E842	E692-A840 WeakPolarHBondContact OE1-CB 3.41Å; A840-E842 VanDerWaalsContact C-N 3.35Å; A840-E842 PolarHBondContact O-N 2.9Å
841	Y	26.1	Very low	29.4	Very low	224 Å²	224	127.6 Å²	127.6	88%	0.878	65%	0.647	S	S	*	*			trans	-71.6	91.4	177.5	-134.7	-95.2	0	0	0	108.1	N843	Y841-N843 PolarHBondContact O-N 2.95Å
842	E	29.5	Very low	29.3	Very low	156 Å²	156	127.5 Å²	127.5	73%	0.729	64%	0.642	S	S	*	*			trans	-60	103.8	173.3	-103.6	-174.4	-169.1	0	0	109.1	A840 P844	A840-E842 VanDerWaalsContact C-N 3.35Å; A840-E842 PolarHBondContact O-N 2.9Å; E842-P844 WeakPolarHBondContact O-CD 3.39Å
843	N	26.2	Very low	29.2	Very low	113 Å²	113	129 Å²	129	60%	0.604	66%	0.655	S	S	*	*			trans	-68	119.6	-175.7	-162.8	-10.9	0	0	0	108.8	Y841 R845	Y841-N843 PolarHBondContact O-N 2.95Å; N843-R845 PolarHBondContact O-N 3.01Å
844	P	29	Very low	29	Very low	102 Å²	102	132.7 Å²	132.7	66%	0.662	67%	0.672	S	S	*	*	G	3₁₀ helix	trans	-68.6	4.6	-164.9	24.6	-34.8	0	0	0	116.1	E842	E842-P844 WeakPolarHBondContact O-CD 3.39Å
845	R	30.6	Very low	28.9	Very low	225 Å²	225	131.8 Å²	131.8	85%	0.849	68%	0.675	S	S	*	*	G	3₁₀ helix	trans	-71.9	-23	177.9	-81	-169.7	173.7	-173.2	-1.1	115	N843	N843-R845 PolarHBondContact O-N 3.01Å
846	F	34.5	Very low	28.8	Very low	137 Å²	137	138 Å²	138	60%	0.601	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-96.2	6.4	-171.9	-79.2	-84	0	0	0	116	E685 N848	E685-F846 WeakPolarHBondContact OE1-CE1 3.11Å; E685-F846 VanDerWaalsContact OE1-CZ 3.27Å; E685-F846 WeakPolarHBondContact OE1-CZ 3.45Å; F846-N848 PolarHBondContact O-N 3.16Å; F846-N848 VanDerWaalsContact O-N 3.09Å
847	K	32.2	Very low	28.6	Very low	164 Å²	164	143.3 Å²	143.3	71%	0.713	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.8	1.4	-174.6	-97.4	178.5	178.4	167.8	0	117.1
848	N	28.9	Very low	28.6	Very low	157 Å²	157	145.6 Å²	145.6	84%	0.84	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	-5.5	-177.4	-75.1	-2.6	0	0	0	115.3	F846 R850	F846-N848 PolarHBondContact O-N 3.16Å; F846-N848 VanDerWaalsContact O-N 3.09Å; N848-R850 VanDerWaalsContact C-N 3.26Å; N848-R850 PolarHBondContact O-N 3.31Å
849	S	26.8	Very low	28.4	Very low	96 Å²	96	147.5 Å²	147.5	67%	0.671	74%	0.736	S	S	*	*			trans	-86.1	65.4	175.7	-63.7	0	0	0	0	111.6	L851	S849-L851 VanDerWaalsContact C-N 3.27Å; S849-L851 PolarHBondContact O-N 3.22Å
850	R	26.5	Very low	28.4	Very low	213 Å²	213	147.9 Å²	147.9	80%	0.804	75%	0.746	S	S	*	*			trans	-78.8	77.4	171.7	-169.2	-179.6	-175.4	141.2	1.8	109.6	N848 D852	N848-R850 VanDerWaalsContact C-N 3.26Å; N848-R850 PolarHBondContact O-N 3.31Å; R850-D852 IonicContact NE-OD1 3.73Å; R850-D852 PolarHBondContact O-N 3.45Å
851	L	27.7	Very low	28.4	Very low	150 Å²	150	152.3 Å²	152.3	79%	0.785	76%	0.762	S	S	*	*			trans	-80.6	99.3	170.8	-89.2	159.6	0	0	0	109.4	S849 L853	S849-L851 VanDerWaalsContact C-N 3.27Å; S849-L851 PolarHBondContact O-N 3.22Å; L851-L853 VanDerWaalsContact C-N 3.27Å; L851-L853 PolarHBondContact O-N 3.24Å
852	D	25.6	Very low	28.4	Very low	120 Å²	120	149.1 Å²	149.1	64%	0.642	76%	0.759	S	S	*	*			trans	-69.2	80	175.4	-74	-42.2	0	0	0	110.7	R850 N854	R850-D852 IonicContact NE-OD1 3.73Å; R850-D852 PolarHBondContact O-N 3.45Å; D852-N854 PolarHBondContact O-N 3.24Å
853	L	29	Very low	28.5	Very low	160 Å²	160	147.8 Å²	147.8	84%	0.838	76%	0.764	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.7	58.5	171.2	-79.6	162.3	0	0	0	111.6	L851	L851-L853 VanDerWaalsContact C-N 3.27Å; L851-L853 PolarHBondContact O-N 3.24Å
854	N	26.2	Very low	28.6	Very low	162 Å²	162	147.2 Å²	147.2	87%	0.866	77%	0.769	S	S	*	*	T	Hydrogen-bonded Turn	trans	-159.9	30.3	172	-101.6	-32.1	0	0	0	113.2	D852	D852-N854 PolarHBondContact O-N 3.24Å
855	S	28.4	Very low	28.7	Very low	106 Å²	106	150.8 Å²	150.8	74%	0.741	78%	0.781	S	S	*	*			trans	-160.2	73.6	170.5	180	0	0	0	0	113.4
856	E	28.7	Very low	28.7	Very low	180 Å²	180	143 Å²	143	84%	0.841	77%	0.77	S	S	*	*			trans	-159.2	79.8	151.4	-118.8	162.9	-161.9	0	0	111.8	T858	E856-T858 VanDerWaalsContact C-N 3.32Å; E856-T858 WeakPolarHBondContact CG-OG1 3.43Å; E856-T858 PolarHBondContact O-N 3.12Å
857	K	26.5	Very low	28.4	Very low	217 Å²	217	143 Å²	143	94%	0.943	78%	0.782	S	S	*	*			trans	-89.9	71.7	156.7	-84.6	-171.7	173.3	-177.3	0	108.6
858	T	30.1	Very low	28.4	Very low	101 Å²	101	142 Å²	142	62%	0.62	79%	0.79	S	S	*	*			trans	-143.4	123.6	172.3	26.1	0	0	0	0	110.3	E856	E856-T858 VanDerWaalsContact C-N 3.32Å; E856-T858 WeakPolarHBondContact CG-OG1 3.43Å; E856-T858 PolarHBondContact O-N 3.12Å
859	S	24.8	Very low	28.5	Very low	115 Å²	115	137.8 Å²	137.8	80%	0.804	78%	0.783	S	S	*	*			trans	-65	130.1	174.8	47.2	0	0	0	0	112.2
860	I	30.8	Very low	28.5	Very low	151 Å²	151	139.8 Å²	139.8	77%	0.774	79%	0.791	S	S	*	*			trans	-137.1	99.2	160.3	-56.6	-177.4	0	0	0	109.4
861	D	28.8	Very low	28.7	Very low	149 Å²	149	139 Å²	139	80%	0.797	80%	0.797	S	S	*	*			trans	41.4	124.6	144.7	-53.5	-24.9	0	0	0	123.1
862	I	25.5	Very low	28.8	Very low	157 Å²	157	140.1 Å²	140.1	81%	0.805	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-98.3	134.9	172.2	-62.4	159	0	0	0	109.5
863	P	31.3	Very low	28.9	Very low	129 Å²	129	142.3 Å²	142.3	84%	0.838	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-82.1	122.6	157.4	-10.9	28.6	0	0	0	110.6
864	S	28.7	Very low	28.9	Very low	101 Å²	101	137.6 Å²	137.6	71%	0.706	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-82.2	139.3	-174.4	56.1	0	0	0	0	114.8
865	L	31.3	Very low	28.9	Very low	176 Å²	176	138.4 Å²	138.4	92%	0.921	80%	0.803	S	S	*	*			trans	172.7	132.2	136.9	-118.2	67.8	0	0	0	108.5
866	G	30.7	Very low	28.9	Very low	61 Å²	61	141.2 Å²	141.2	63%	0.629	81%	0.81	S	S	*	*			cis	-173	141.8	-11	0	0	0	0	0	110.4
867	T	28.5	Very low	28.9	Very low	138 Å²	138	136.9 Å²	136.9	85%	0.847	80%	0.799	S	S	*	*			trans	15.2	130.5	143.5	3.9	0	0	0	0	117.8
868	V	31.5	Very low	29.2	Very low	144 Å²	144	133 Å²	133	87%	0.873	79%	0.793	S	S	*	*				-166.8	153.7	53	175.2	0	0	0	0	106.5
869	G	30.4	Very low	29.3	Very low	68 Å²	68	138.3 Å²	138.3	70%	0.701	81%	0.808	S	S	*	*			cis	-174.3	174.1	1.5	0	0	0	0	0	110.5
870	T	27.7	Very low	29.6	Very low	137 Å²	137	140 Å²	140	84%	0.84	81%	0.808	S	S	*	*			trans	-72.8	143.3	-172.9	46.2	0	0	0	0	115
871	E	30.1	Very low	29.5	Very low	198 Å²	198	140.1 Å²	140.1	93%	0.925	81%	0.81	S	S	*	*			trans	-155.4	151.3	130	-119.3	169.9	-156.8	0	0	112.2
872	Q	29.9	Very low	29.5	Very low	173 Å²	173	145.1 Å²	145.1	81%	0.808	82%	0.818	S	S	*	*			trans	-101.2	169	-172.2	-68.9	172.2	-41.8	0	0	112
873	N	28.3	Very low	29.7	Very low	166 Å²	166	146.1 Å²	146.1	89%	0.888	82%	0.817	S	S	*	*			trans	94.9	120.2	168.1	-49.3	-41.5	0	0	0	115.6
874	G	28.6	Very low	29.6	Very low	60 Å²	60	148.4 Å²	148.4	62%	0.619	82%	0.816	S	S	*	*			trans	147.4	25.6	176.6	0	0	0	0	0	117.5	D876	G874-D876 PolarHBondContact O-N 2.83Å
875	L	26.8	Very low	29.6	Very low	179 Å²	179	155 Å²	155	94%	0.937	83%	0.825	S	S	*	*			trans	-75	81	164.1	-91.2	101.7	0	0	0	109.4
876	D	27.7	Very low	29.5	Very low	166 Å²	166	153.5 Å²	153.5	89%	0.888	82%	0.818	S	S	*	*	S	Bend	trans	178.7	70.8	160.1	-92.5	-23.6	0	0	0	110.6	G874	G874-D876 PolarHBondContact O-N 2.83Å
877	S	29.3	Very low	29.4	Very low	88 Å²	88	155.4 Å²	155.4	62%	0.615	82%	0.822	S	S	*	*			trans	-166.4	-22.5	172	60.2	0	0	0	0	118.6	F879	S877-F879 PolarHBondContact O-N 3.31Å
878	V	33.3	Very low	29.5	Very low	135 Å²	135	156.7 Å²	156.7	82%	0.818	82%	0.823	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	2.4	-155.2	-172.2	0	0	0	0	116.4
879	F	31.3	Very low	29.2	Very low	214 Å²	214	157.6 Å²	157.6	94%	0.939	82%	0.82	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.1	7.4	-175.9	-102.6	-79.2	0	0	0	117	S877	S877-F879 PolarHBondContact O-N 3.31Å
880	N	30.3	Very low	29.2	Very low	151 Å²	151	164.1 Å²	164.1	81%	0.807	83%	0.829	S	S	*	*	S	Bend	trans	-124.6	-9.7	-178.6	-109.5	-13	0	0	0	117.5	R882	N880-R882 PolarHBondContact O-N 2.93Å
881	D	28.3	Very low	29.5	Very low	153 Å²	153	162.7 Å²	162.7	82%	0.818	82%	0.816	S	S	*	*			trans	-103.9	68.2	-175.9	-81.9	-27.2	0	0	0	114
882	R	30.4	Very low	29.9	Very low	253 Å²	253	160.1 Å²	160.1	96%	0.955	81%	0.806	S	S	*	*			trans	-121.1	27.4	162.5	-80.1	-164.3	-177.4	-170.7	3.2	114	N880	N880-R882 PolarHBondContact O-N 2.93Å
883	K	30.1	Very low	30.3	Very low	179 Å²	179	156.6 Å²	156.6	78%	0.778	79%	0.791	S	S	*	*	S	Bend	trans	-113.4	128.7	161.9	-88.1	-177.4	172.3	178.1	0	109.8
884	H	28.3	Very low	31.1	Very low	176 Å²	176	153.7 Å²	153.7	82%	0.815	78%	0.776	S	S	*	*	S	Bend	trans	67.4	90.2	177.5	-58.1	-75.8	0	0	0	117.7
885	R	28.5	Very low	32.4	Very low	239 Å²	239	156.9 Å²	156.9	90%	0.902	78%	0.779	S	S	*	*			trans	156.9	127.3	152.3	-87.8	162.9	-165.3	-162.3	7.7	106.1
886	N	28.7	Very low	34	Very low	145 Å²	145	152 Å²	152	78%	0.775	76%	0.759	S	S	*	*			cis	-135.7	152.1	0.4	-82.7	-25.8	0	0	0	110.3
887	S	30.3	Very low	35.5	Very low	102 Å²	102	148.8 Å²	148.8	71%	0.713	74%	0.739	S	S	*	*	S	Bend	trans	-68	151.6	157.2	42.9	0	0	0	0	110.9
888	N	28.6	Very low	36.9	Very low	164 Å²	164	147.8 Å²	147.8	88%	0.877	73%	0.726	S	S	*	*			trans	62.5	69.9	161.2	-56.5	-10.9	0	0	0	117.8
889	M	27	Very low	38.1	Very low	163 Å²	163	146 Å²	146	80%	0.803	71%	0.709	S	S	*	*			trans	-138.6	95.2	148.2	-170	166	166.9	0	0	109.7	I891	M889-I891 VanDerWaalsContact C-N 3.3Å; M889-I891 HydrophobicContact CE-CD1 4.17Å; M889-I891 HydrophobicContact CE-CG1 4.03Å; M889-I891 HydrophobicContact CG-CG1 3.99Å; M889-I891 PolarHBondContact O-N 3.1Å
890	K	29.8	Very low	39.8	Very low	205 Å²	205	139.3 Å²	139.3	89%	0.891	69%	0.689	S	S	*	*			trans	-79.6	80	178.8	-161.5	179.8	-170.6	-176.7	0	108.7	I892	K890-I892 PolarHBondContact O-N 3.41Å; K890-I892 VanDerWaalsContact O-N 3.13Å
891	I	33.4	Very low	41.9	Very low	108 Å²	108	135.1 Å²	135.1	55%	0.554	67%	0.671	S	S	*	*			trans	-66.6	110.3	172.4	-56.8	-179.4	0	0	0	107.1	M889 M893	M889-I891 VanDerWaalsContact C-N 3.3Å; M889-I891 HydrophobicContact CE-CD1 4.17Å; M889-I891 HydrophobicContact CE-CG1 4.03Å; M889-I891 HydrophobicContact CG-CG1 3.99Å; M889-I891 PolarHBondContact O-N 3.1Å; I891-M893 VanDerWaalsContact C-N 3.34Å; I891-M893 HydrophobicContact CG2-CG 4.04Å; I891-M893 PolarHBondContact O-N 3.24Å; I891-M893 VanDerWaalsContact O-N 3.1Å
892	I	38.4	Very low	44.1	Very low	143 Å²	143	131.1 Å²	131.1	73%	0.733	65%	0.649	S	S	*	*			trans	-76.9	92.5	169.9	-57	173.5	0	0	0	105.9	K890	K890-I892 PolarHBondContact O-N 3.41Å; K890-I892 VanDerWaalsContact O-N 3.13Å
893	M	38.6	Very low	46.4	Very low	99 Å²	99	119.6 Å²	119.6	49%	0.488	61%	0.606	S	S	.	*			trans	-74	138	164.7	-70.8	177.2	164.1	0	0	108.1	I891 E897 I898	I891-M893 VanDerWaalsContact C-N 3.34Å; I891-M893 HydrophobicContact CG2-CG 4.04Å; I891-M893 PolarHBondContact O-N 3.24Å; I891-M893 VanDerWaalsContact O-N 3.1Å; M893-E897 WeakPolarHBondContact CA-OE2 3.35Å; M893-E897 HydrophobicContact CB-CB 4.45Å; M893-I898 HydrophobicContact CB-CD1 4.13Å; M893-I898 HydrophobicContact CB-CG1 3.69Å
894	N	46.4	Very low	48.8	Very low	105 Å²	105	112.7 Å²	112.7	56%	0.561	58%	0.583	S	S	*	*			trans	-70.4	151.3	171.1	-74.5	-27.7	0	0	0	109.6	S896 E897 I898	N894-S896 PolarHBondContact O-N 3.42Å; N894-S896 VanDerWaalsContact O-N 3.13Å; N894-E897 HydrophobicContact CB-CG 4.39Å; N894-E897 PolarHBondContact N-OE2 2.91Å; N894-E897 WeakPolarHBondContact O-CA 3.39Å; N894-E897 WeakPolarHBondContact O-CB 3.24Å; N894-E897 PolarHBondContact O-N 3.01Å; N894-I898 PolarHBondContact O-N 3.39Å
895	D	55.2	Low	51.2	Low	128 Å²	128	106.7 Å²	106.7	68%	0.684	56%	0.563	S	S	*	*	H	α-helix	trans	-52.2	-41.7	-177.9	-62	-42.1	0	0	0	112	E897 I898 E899	D895-E897 VanDerWaalsContact C-N 3.29Å; D895-E897 PolarHBondContact O-N 3.1Å; D895-I898 WeakPolarHBondContact O-CB 3.43Å; D895-I898 PolarHBondContact O-N 3.05Å; D895-I898 VanDerWaalsContact O-N 3.13Å; D895-E899 VanDerWaalsContact O-CG 3.31Å; D895-E899 WeakPolarHBondContact O-CG 3.14Å; D895-E899 PolarHBondContact O-N 3.35Å
896	S	59.7	Low	53.8	Low	76 Å²	76	96.2 Å²	96.2	53%	0.531	53%	0.527	S	S	.	.	H	α-helix	trans	-59.7	-32.4	175.8	59.4	0	0	0	0	114.7	N894 S900	N894-S896 PolarHBondContact O-N 3.42Å; N894-S896 VanDerWaalsContact O-N 3.13Å; S896-S900 WeakPolarHBondContact O-CB 3.39Å; S896-S900 PolarHBondContact O-N 2.8Å; S896-S900 VanDerWaalsContact O-N 3.12Å; S896-S900 PolarHBondContact O-OG 3.47Å
897	E	59.4	Low	56.3	Low	99 Å²	99	90.9 Å²	90.9	46%	0.463	50%	0.498	S	S	.	.	H	α-helix	trans	-74	-41.9	176.3	-62.9	-179.6	146.5	0	0	110.3	M893 N894 D895 S900 S901	M893-E897 WeakPolarHBondContact CA-OE2 3.35Å; M893-E897 HydrophobicContact CB-CB 4.45Å; N894-E897 HydrophobicContact CB-CG 4.39Å; N894-E897 PolarHBondContact N-OE2 2.91Å; N894-E897 WeakPolarHBondContact O-CA 3.39Å; N894-E897 WeakPolarHBondContact O-CB 3.24Å; N894-E897 PolarHBondContact O-N 3.01Å; D895-E897 VanDerWaalsContact C-N 3.29Å; D895-E897 PolarHBondContact O-N 3.1Å; E897-S900 PolarHBondContact O-N 3.25Å; E897-S900 PolarHBondContact O-OG 3.45Å; E897-S901 WeakPolarHBondContact O-CB 3.38Å; E897-S901 PolarHBondContact O-N 3.3Å
898	I	59	Low	58.8	Low	67 Å²	67	94.6 Å²	94.6	34%	0.344	50%	0.497	S	S	.	.	H	α-helix	trans	-59.9	-51.3	175.7	-59.7	174.3	0	0	0	109.7	M893 N894 D895 S900 S901 I902	M893-I898 HydrophobicContact CB-CD1 4.13Å; M893-I898 HydrophobicContact CB-CG1 3.69Å; N894-I898 PolarHBondContact O-N 3.39Å; D895-I898 WeakPolarHBondContact O-CB 3.43Å; D895-I898 PolarHBondContact O-N 3.05Å; D895-I898 VanDerWaalsContact O-N 3.13Å; I898-S900 PolarHBondContact O-N 3.5Å; I898-S901 WeakPolarHBondContact O-CB 3.48Å; I898-S901 PolarHBondContact O-N 3.14Å; I898-S901 VanDerWaalsContact O-N 3.09Å; I898-S901 PolarHBondContact O-OG 2.92Å; I898-I902 HydrophobicContact CG2-CD1 3.94Å; I898-I902 WeakPolarHBondContact O-CG1 3.33Å; I898-I902 PolarHBondContact O-N 3.08Å
899	E	59.4	Low	61.3	Low	97 Å²	97	89.8 Å²	89.8	45%	0.453	47%	0.471	S	S	.	.	H	α-helix	trans	-53.5	-50.7	175.8	-71.5	-179.6	157.2	0	0	111.9	T682 D895 S901 I902 D903	T682-E899 HydrophobicContact CG2-CB 3.65Å; T682-E899 HydrophobicContact CG2-CG 3.5Å; D895-E899 VanDerWaalsContact O-CG 3.31Å; D895-E899 WeakPolarHBondContact O-CG 3.14Å; D895-E899 PolarHBondContact O-N 3.35Å; E899-S901 PolarHBondContact O-N 3.46Å; E899-I902 PolarHBondContact O-N 3.18Å; E899-D903 PolarHBondContact O-N 3.35Å
900	S	67.2	Low	64	Low	74 Å²	74	82.2 Å²	82.2	52%	0.517	43%	0.433	S	S	.	.	H	α-helix	trans	-60.7	-32.4	178.6	78.2	0	0	0	0	113.2	S896 E897 I898 A904	S896-S900 WeakPolarHBondContact O-CB 3.39Å; S896-S900 PolarHBondContact O-N 2.8Å; S896-S900 VanDerWaalsContact O-N 3.12Å; S896-S900 PolarHBondContact O-OG 3.47Å; E897-S900 PolarHBondContact O-N 3.25Å; E897-S900 PolarHBondContact O-OG 3.45Å; I898-S900 PolarHBondContact O-N 3.5Å; S900-A904 VanDerWaalsContact O-CB 3.23Å; S900-A904 WeakPolarHBondContact O-CB 3.34Å; S900-A904 PolarHBondContact O-N 3.44Å
901	S	73.2	Confident	66.4	Low	63 Å²	63	75.3 Å²	75.3	44%	0.441	41%	0.406	S	S	.	.	H	α-helix	trans	-74.2	-36.5	179	80.3	0	0	0	0	112.6	E897 I898 E899 A905	E897-S901 WeakPolarHBondContact O-CB 3.38Å; E897-S901 PolarHBondContact O-N 3.3Å; I898-S901 WeakPolarHBondContact O-CB 3.48Å; I898-S901 PolarHBondContact O-N 3.14Å; I898-S901 VanDerWaalsContact O-N 3.09Å; I898-S901 PolarHBondContact O-OG 2.92Å; E899-S901 PolarHBondContact O-N 3.46Å; S901-A905 PolarHBondContact O-N 3Å
902	I	75.4	Confident	68.5	Low	68 Å²	68	73.5 Å²	73.5	35%	0.349	39%	0.394	S	S	.	.	H	α-helix	trans	-68.6	-48.7	176.5	-63.6	166.1	0	0	0	109.5	L680 I898 E899 A904 A905 S906	L680-I902 HydrophobicContact CB-CG2 4.48Å; I898-I902 HydrophobicContact CG2-CD1 3.94Å; I898-I902 WeakPolarHBondContact O-CG1 3.33Å; I898-I902 PolarHBondContact O-N 3.08Å; E899-I902 PolarHBondContact O-N 3.18Å; I902-A904 VanDerWaalsContact C-N 3.33Å; I902-A904 PolarHBondContact O-N 2.93Å; I902-A905 PolarHBondContact O-N 3.46Å; I902-A905 VanDerWaalsContact O-N 3.14Å; I902-S906 PolarHBondContact O-N 2.93Å
903	D	79.1	Confident	70.4	Confident	11 Å²	11	67 Å²	67	6%	0.059	36%	0.361	C	S	.	.	H	α-helix	trans	-58.1	-46	176.5	-78.9	16.4	0	0	0	111.1	G681 T682 S684 E899 A905 S906 I907	G681-D903 VanDerWaalsContact CA-OD1 3.29Å; G681-D903 WeakPolarHBondContact CA-OD1 3.5Å; T682-D903 PolarHBondContact N-OD1 3.19Å; T682-D903 PolarHBondContact OG1-OD1 3.43Å; T682-D903 PolarHBondContact OG1-OD2 3.08Å; S684-D903 VanDerWaalsContact CB-OD2 3.27Å; S684-D903 WeakPolarHBondContact CB-OD2 3.38Å; S684-D903 PolarHBondContact OG-OD2 2.97Å; E899-D903 PolarHBondContact O-N 3.35Å; D903-A905 VanDerWaalsContact C-N 3.3Å; D903-A905 PolarHBondContact O-N 3.36Å; D903-S906 PolarHBondContact O-N 3.36Å; D903-I907 WeakPolarHBondContact O-CB 3.35Å; D903-I907 WeakPolarHBondContact O-CG1 3.39Å; D903-I907 PolarHBondContact O-N 3.11Å
904	A	78.6	Confident	72.1	Confident	35 Å²	35	64 Å²	64	29%	0.289	35%	0.346	S	S	.	.	H	α-helix	trans	-62.2	-34.4	177.6	0	0	0	0	0	113.2	S900 I902 R908	S900-A904 VanDerWaalsContact O-CB 3.23Å; S900-A904 WeakPolarHBondContact O-CB 3.34Å; S900-A904 PolarHBondContact O-N 3.44Å; I902-A904 VanDerWaalsContact C-N 3.33Å; I902-A904 PolarHBondContact O-N 2.93Å; A904-R908 WeakPolarHBondContact O-CD 3.22Å; A904-R908 WeakPolarHBondContact O-CG 3.35Å; A904-R908 PolarHBondContact O-N 3.07Å
905	A	80.5	Confident	73.3	Confident	49 Å²	49	63.2 Å²	63.2	41%	0.405	35%	0.345	S	S	.	.	H	α-helix	trans	-68.9	-51.5	174.4	0	0	0	0	0	111.3	S901 I902 D903 I907 R908 D909	S901-A905 PolarHBondContact O-N 3Å; I902-A905 PolarHBondContact O-N 3.46Å; I902-A905 VanDerWaalsContact O-N 3.14Å; D903-A905 VanDerWaalsContact C-N 3.3Å; D903-A905 PolarHBondContact O-N 3.36Å; A905-I907 PolarHBondContact O-N 2.95Å; A905-R908 WeakPolarHBondContact O-CB 3.36Å; A905-R908 PolarHBondContact O-N 3.35Å; A905-R908 VanDerWaalsContact O-N 3.11Å; A905-D909 PolarHBondContact O-N 3.32Å
906	S	82.2	Confident	73.7	Confident	19 Å²	19	57.4 Å²	57.4	13%	0.133	32%	0.315	C	S	.	.	H	α-helix	trans	-63.7	-37.4	-179.7	-69.1	0	0	0	0	113	L680 I902 D903 R908 D909 L910	L680-S906 VanDerWaalsContact O-CB 3.31Å; L680-S906 WeakPolarHBondContact O-CB 3.2Å; L680-S906 PolarHBondContact O-OG 3.35Å; I902-S906 PolarHBondContact O-N 2.93Å; D903-S906 PolarHBondContact O-N 3.36Å; S906-R908 VanDerWaalsContact C-N 3.33Å; S906-R908 PolarHBondContact O-N 3.43Å; S906-D909 PolarHBondContact O-N 3.35Å; S906-L910 WeakPolarHBondContact O-CB 3.26Å; S906-L910 VanDerWaalsContact O-CG 3.28Å; S906-L910 WeakPolarHBondContact O-CG 3.13Å; S906-L910 PolarHBondContact O-N 2.88Å
907	I	81.5	Confident	73.9	Confident	33 Å²	33	54.1 Å²	54.1	17%	0.169	29%	0.291	C	S	.	.	H	α-helix	trans	-62.3	-39.7	173.7	-70.8	168.1	0	0	0	111	Q686 M687 M690 D903 A905 N911	Q686-I907 HydrophobicContact CB-CD1 4.35Å; M687-I907 HydrophobicContact SD-CD1 4.31Å; M687-I907 HydrophobicContact SD-CG1 3.64Å; M690-I907 HydrophobicContact CB-CG1 4.42Å; M690-I907 HydrophobicContact CG-CG1 4.33Å; M690-I907 HydrophobicContact CG-CG2 4.33Å; D903-I907 WeakPolarHBondContact O-CB 3.35Å; D903-I907 WeakPolarHBondContact O-CG1 3.39Å; D903-I907 PolarHBondContact O-N 3.11Å; A905-I907 PolarHBondContact O-N 2.95Å; I907-N911 WeakPolarHBondContact O-CB 3.47Å; I907-N911 PolarHBondContact O-N 3.04Å; I907-N911 VanDerWaalsContact O-N 3.08Å; I907-N911 PolarHBondContact O-ND2 3.22Å
908	R	81.8	Confident	73.6	Confident	181 Å²	181	51.3 Å²	51.3	68%	0.683	28%	0.283	S	S	*	.	H	α-helix	trans	-65.9	-46.3	176.7	-72.4	166.4	-172.5	166	5	111.6	A904 A905 S906 N911 F912	A904-R908 WeakPolarHBondContact O-CD 3.22Å; A904-R908 WeakPolarHBondContact O-CG 3.35Å; A904-R908 PolarHBondContact O-N 3.07Å; A905-R908 WeakPolarHBondContact O-CB 3.36Å; A905-R908 PolarHBondContact O-N 3.35Å; A905-R908 VanDerWaalsContact O-N 3.11Å; S906-R908 VanDerWaalsContact C-N 3.33Å; S906-R908 PolarHBondContact O-N 3.43Å; R908-N911 PolarHBondContact O-N 2.9Å; R908-F912 WeakPolarHBondContact O-CB 3.43Å; R908-F912 PolarHBondContact O-N 2.93Å
909	D	81.8	Confident	72.9	Confident	62 Å²	62	50.9 Å²	50.9	33%	0.332	28%	0.283	S	S	.	.	H	α-helix	trans	-59.1	-49	177.9	-97.9	40.9	0	0	0	111.9	R655 A905 S906 N911 F912 E913	R655-D909 IonicContact CZ-OD2 2.7Å; R655-D909 IonicContact NH1-OD2 2.71Å; R655-D909 IonicContact NH2-OD2 3.16Å; R655-D909 PolarHBondContact NH2-OD2 3.29Å; A905-D909 PolarHBondContact O-N 3.32Å; S906-D909 PolarHBondContact O-N 3.35Å; D909-N911 VanDerWaalsContact C-N 3.33Å; D909-N911 PolarHBondContact O-N 2.88Å; D909-F912 PolarHBondContact O-N 3.41Å; D909-E913 WeakPolarHBondContact O-CG 3.43Å; D909-E913 PolarHBondContact O-N 2.89Å
910	L	83.3	Confident	72.2	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-61.5	-39.9	177.4	-67.9	174.6	0	0	0	111.9	I679 M687 M690 V691 Y694 S906 E913 M914	I679-L910 HydrophobicContact CD1-CD1 4.34Å; I679-L910 HydrophobicContact CD1-CD2 4.23Å; I679-L910 HydrophobicContact CG2-CD1 4.22Å; M687-L910 HydrophobicContact CE-CD1 4.18Å; M690-L910 HydrophobicContact CE-CB 3.48Å; M690-L910 VanDerWaalsContact CE-CB 3.48Å; M690-L910 HydrophobicContact CG-CB 4.44Å; M690-L910 HydrophobicContact CG-CD1 4.16Å; V691-L910 HydrophobicContact CG2-CD1 4.14Å; Y694-L910 HydrophobicContact CD1-CD2 3.97Å; Y694-L910 HydrophobicContact CD2-CB 3.95Å; Y694-L910 HydrophobicContact CD2-CD2 3.69Å; Y694-L910 HydrophobicContact CD2-CG 4.37Å; Y694-L910 HydrophobicContact CE1-CD2 4.01Å; Y694-L910 HydrophobicContact CE2-CB 4.4Å; Y694-L910 HydrophobicContact CE2-CD2 3.75Å; Y694-L910 HydrophobicContact CG-CD2 3.81Å; S906-L910 WeakPolarHBondContact O-CB 3.26Å; S906-L910 VanDerWaalsContact O-CG 3.28Å; S906-L910 WeakPolarHBondContact O-CG 3.13Å; S906-L910 PolarHBondContact O-N 2.88Å; L910-E913 PolarHBondContact O-N 3.48Å; L910-M914 WeakPolarHBondContact O-CG 3.32Å; L910-M914 PolarHBondContact O-N 3Å; L910-M914 VanDerWaalsContact O-N 3.14Å
911	N	81	Confident	70.9	Confident	61 Å²	61	50.7 Å²	50.7	33%	0.326	29%	0.285	S	S	.	.	H	α-helix	trans	-64.7	-45.7	176.3	-85.4	-64.8	0	0	0	111.8	M690 I907 R908 D909 E913 M914 V915	M690-N911 HydrophobicContact CE-CB 4.1Å; M690-N911 WeakPolarHBondContact CE-ND2 3.47Å; M690-N911 WeakPolarHBondContact CE-OD1 3.35Å; I907-N911 WeakPolarHBondContact O-CB 3.47Å; I907-N911 PolarHBondContact O-N 3.04Å; I907-N911 VanDerWaalsContact O-N 3.08Å; I907-N911 PolarHBondContact O-ND2 3.22Å; R908-N911 PolarHBondContact O-N 2.9Å; D909-N911 VanDerWaalsContact C-N 3.33Å; D909-N911 PolarHBondContact O-N 2.88Å; N911-E913 VanDerWaalsContact C-N 3.31Å; N911-E913 PolarHBondContact O-N 2.83Å; N911-M914 PolarHBondContact O-N 3.13Å; N911-V915 WeakPolarHBondContact O-CG2 3.32Å; N911-V915 PolarHBondContact O-N 3.04Å
912	F	78.1	Confident	69	Low	69 Å²	69	50.7 Å²	50.7	30%	0.303	29%	0.289	S	S	.	.	H	α-helix	trans	-56.9	-44.9	176.5	179.9	-100.2	0	0	0	111.4	Y789 R908 D909 M914 V915 T916	Y789-F912 AromaticContact CD1-CE1 3.68Å; Y789-F912 HydrophobicContact CD1-CE1 3.68Å; Y789-F912 HydrophobicContact CD1-CE2 4.35Å; Y789-F912 AromaticContact CD1-CZ 3.45Å; Y789-F912 HydrophobicContact CD1-CZ 3.45Å; Y789-F912 VanDerWaalsContact CD1-CZ 3.45Å; Y789-F912 AromaticContact CE1-CD1 3.91Å; Y789-F912 HydrophobicContact CE1-CD1 3.91Å; Y789-F912 AromaticContact CE1-CE1 3.21Å; Y789-F912 HydrophobicContact CE1-CE1 3.21Å; Y789-F912 HydrophobicContact CE1-CE2 4.15Å; Y789-F912 AromaticContact CE1-CZ 3.36Å; Y789-F912 HydrophobicContact CE1-CZ 3.36Å; Y789-F912 AromaticContact CZ-CE1 3.81Å; R908-F912 WeakPolarHBondContact O-CB 3.43Å; R908-F912 PolarHBondContact O-N 2.93Å; D909-F912 PolarHBondContact O-N 3.41Å; F912-M914 PolarHBondContact O-N 2.86Å; F912-V915 PolarHBondContact O-N 3.49Å; F912-T916 HydrophobicContact CD1-CG2 4.12Å; F912-T916 HydrophobicContact CD2-CG2 4.45Å; F912-T916 HydrophobicContact CE1-CG2 3.65Å; F912-T916 HydrophobicContact CE2-CG2 4.03Å; F912-T916 HydrophobicContact CG-CG2 4.49Å; F912-T916 HydrophobicContact CZ-CG2 3.59Å; F912-T916 WeakPolarHBondContact O-CG2 3.41Å; F912-T916 PolarHBondContact O-N 2.78Å; F912-T916 PolarHBondContact O-OG1 3.45Å
913	E	77.6	Confident	66.9	Low	6 Å²	6	53.5 Å²	53.5	3%	0.028	30%	0.304	C	S	.	.	H	α-helix	trans	-65.7	-35.1	178.2	-74.4	-170.4	-141.1	0	0	114.7	S652 I654 R655 Y694 D909 L910 N911 V915 T916 S917	S652-E913 WeakPolarHBondContact CB-OE2 3.24Å; S652-E913 PolarHBondContact OG-OE2 3.22Å; I654-E913 HydrophobicContact CD1-CB 4.41Å; R655-E913 IonicContact CZ-OE1 2.73Å; R655-E913 IonicContact NE-OE1 2.63Å; R655-E913 PolarHBondContact NE-OE1 2.82Å; R655-E913 IonicContact NH2-OE1 3.44Å; R655-E913 PolarHBondContact NH2-OE1 3.46Å; Y694-E913 HydrophobicContact CE2-CB 3.96Å; Y694-E913 PolarHBondContact OH-OE2 3.31Å; D909-E913 WeakPolarHBondContact O-CG 3.43Å; D909-E913 PolarHBondContact O-N 2.89Å; L910-E913 PolarHBondContact O-N 3.48Å; N911-E913 VanDerWaalsContact C-N 3.31Å; N911-E913 PolarHBondContact O-N 2.83Å; E913-V915 VanDerWaalsContact C-N 3.33Å; E913-T916 PolarHBondContact O-OG1 3.13Å; E913-S917 WeakPolarHBondContact O-CB 3.4Å; E913-S917 PolarHBondContact O-N 3.15Å; E913-S917 VanDerWaalsContact O-N 3.1Å; E913-S917 PolarHBondContact O-OG 3.01Å
914	M	73.7	Confident	65.1	Low	36 Å²	36	61.2 Å²	61.2	18%	0.177	34%	0.337	C	S	.	.	H	α-helix	trans	-63.9	-41.2	173.3	-66.2	-167.3	-47.9	0	0	111.3	M690 Y694 H697 L910 N911 F912 S917 S918	M690-M914 HydrophobicContact CE-CE 3.61Å; M690-M914 HydrophobicContact CE-SD 4.24Å; M690-M914 HydrophobicContact SD-CE 4.38Å; Y694-M914 HydrophobicContact CD2-CG 3.68Å; Y694-M914 HydrophobicContact CD2-SD 4.23Å; Y694-M914 HydrophobicContact CE2-CG 4.19Å; H697-M914 HydrophobicContact CB-CG 4.38Å; H697-M914 HydrophobicContact CB-SD 4.27Å; H697-M914 PolarHBondContact NE2-O 3.44Å; L910-M914 WeakPolarHBondContact O-CG 3.32Å; L910-M914 PolarHBondContact O-N 3Å; L910-M914 VanDerWaalsContact O-N 3.14Å; N911-M914 PolarHBondContact O-N 3.13Å; F912-M914 PolarHBondContact O-N 2.86Å; M914-S917 PolarHBondContact O-OG 3.06Å; M914-S918 WeakPolarHBondContact O-CB 3.3Å; M914-S918 PolarHBondContact O-N 3.5Å; M914-S918 VanDerWaalsContact O-N 3.17Å
915	V	71	Confident	63	Low	90 Å²	90	62.8 Å²	62.8	55%	0.545	36%	0.356	S	S	.	.	H	α-helix	trans	-64.1	-52.6	177	176.8	0	0	0	0	110.8	N911 F912 E913 S917 S918 T919	N911-V915 WeakPolarHBondContact O-CG2 3.32Å; N911-V915 PolarHBondContact O-N 3.04Å; F912-V915 PolarHBondContact O-N 3.49Å; E913-V915 VanDerWaalsContact C-N 3.33Å; V915-S917 VanDerWaalsContact C-N 3.31Å; V915-S917 PolarHBondContact O-N 3.31Å; V915-S918 WeakPolarHBondContact O-CB 3.39Å; V915-S918 PolarHBondContact O-N 3.07Å; V915-S918 VanDerWaalsContact O-N 3.11Å; V915-S918 PolarHBondContact O-OG 3.02Å; V915-T919 PolarHBondContact O-N 2.71Å
916	T	65	Low	60.7	Low	6 Å²	6	70.3 Å²	70.3	4%	0.037	37%	0.374	C	S	.	.	H	α-helix	trans	-65.2	-30.1	-176.6	59.5	0	0	0	0	113.9	N792 F912 E913 T919 H920	N792-T916 VanDerWaalsContact ND2-CG2 3.34Å; N792-T916 WeakPolarHBondContact ND2-CG2 3.3Å; F912-T916 HydrophobicContact CD1-CG2 4.12Å; F912-T916 HydrophobicContact CD2-CG2 4.45Å; F912-T916 HydrophobicContact CE1-CG2 3.65Å; F912-T916 HydrophobicContact CE2-CG2 4.03Å; F912-T916 HydrophobicContact CG-CG2 4.49Å; F912-T916 HydrophobicContact CZ-CG2 3.59Å; F912-T916 WeakPolarHBondContact O-CG2 3.41Å; F912-T916 PolarHBondContact O-N 2.78Å; F912-T916 PolarHBondContact O-OG1 3.45Å; E913-T916 PolarHBondContact O-OG1 3.13Å; T916-T919 PolarHBondContact O-OG1 2.99Å; T916-H920 PolarHBondContact O-N 3.11Å
917	S	62.2	Low	58.5	Low	6 Å²	6	78.6 Å²	78.6	4%	0.042	41%	0.408	C	S	.	.	H	α-helix	trans	-78.8	-26.4	174.8	52.1	0	0	0	0	113.3	H697 E913 M914 V915 H920 A921	H697-S917 PolarHBondContact CD2-OG 3.11Å; H697-S917 PolarHBondContact NE2-OG 2.95Å; E913-S917 WeakPolarHBondContact O-CB 3.4Å; E913-S917 PolarHBondContact O-N 3.15Å; E913-S917 VanDerWaalsContact O-N 3.1Å; E913-S917 PolarHBondContact O-OG 3.01Å; M914-S917 PolarHBondContact O-OG 3.06Å; V915-S917 VanDerWaalsContact C-N 3.31Å; V915-S917 PolarHBondContact O-N 3.31Å; S917-H920 PolarHBondContact O-N 3.41Å; S917-A921 PolarHBondContact O-N 3.09Å; S917-A921 VanDerWaalsContact O-N 3.09Å
918	S	54.7	Low	56.4	Low	41 Å²	41	85.6 Å²	85.6	29%	0.287	44%	0.437	S	S	.	.	H	α-helix	trans	-66.7	-42.1	175.4	78.8	0	0	0	0	112.5	M914 V915 H920 A921 A922	M914-S918 WeakPolarHBondContact O-CB 3.3Å; M914-S918 PolarHBondContact O-N 3.5Å; M914-S918 VanDerWaalsContact O-N 3.17Å; V915-S918 WeakPolarHBondContact O-CB 3.39Å; V915-S918 PolarHBondContact O-N 3.07Å; V915-S918 VanDerWaalsContact O-N 3.11Å; V915-S918 PolarHBondContact O-OG 3.02Å; S918-H920 VanDerWaalsContact C-N 3.35Å; S918-A921 PolarHBondContact O-N 3.19Å; S918-A922 PolarHBondContact O-N 3.49Å
919	T	44.4	Very low	54.1	Low	58 Å²	58	86.2 Å²	86.2	36%	0.356	45%	0.445	S	S	.	.	H	α-helix	trans	-64	-42.5	175.2	59.7	0	0	0	0	110.6	V915 T916 A921 A922 L923	V915-T919 PolarHBondContact O-N 2.71Å; T916-T919 PolarHBondContact O-OG1 2.99Å; T919-A921 VanDerWaalsContact C-N 3.28Å; T919-A921 PolarHBondContact O-N 3.19Å; T919-A922 PolarHBondContact O-N 2.74Å; T919-L923 WeakPolarHBondContact O-CG 3.36Å; T919-L923 PolarHBondContact O-N 3.34Å
920	H	44	Very low	52.1	Low	104 Å²	104	87.4 Å²	87.4	48%	0.481	46%	0.458	S	S	.	.	H	α-helix	trans	-65.5	-28.3	179.4	-140	-46.8	0	0	0	113.8	T916 S917 S918	T916-H920 PolarHBondContact O-N 3.11Å; S917-H920 PolarHBondContact O-N 3.41Å; S918-H920 VanDerWaalsContact C-N 3.35Å
921	A	40	Very low	49.9	Very low	62 Å²	62	92.5 Å²	92.5	51%	0.512	48%	0.484	S	S	.	.	H	α-helix	trans	-76.5	-44.7	170.7	0	0	0	0	0	112.1	S917 S918 T919 L923 K924	S917-A921 PolarHBondContact O-N 3.09Å; S917-A921 VanDerWaalsContact O-N 3.09Å; S918-A921 PolarHBondContact O-N 3.19Å; T919-A921 VanDerWaalsContact C-N 3.28Å; T919-A921 PolarHBondContact O-N 3.19Å; A921-L923 VanDerWaalsContact C-N 3.28Å; A921-L923 PolarHBondContact O-N 3.4Å; A921-K924 PolarHBondContact O-N 2.93Å; A921-K924 VanDerWaalsContact O-N 3.09Å
922	A	33	Very low	47.6	Very low	64 Å²	64	95 Å²	95	53%	0.529	50%	0.495	S	S	.	.	H	α-helix	trans	-59	-37.6	177.9	0	0	0	0	0	112.6	S918 T919 K924 G925 R926	S918-A922 PolarHBondContact O-N 3.49Å; T919-A922 PolarHBondContact O-N 2.74Å; A922-K924 VanDerWaalsContact C-N 3.26Å; A922-K924 PolarHBondContact O-N 2.88Å; A922-G925 PolarHBondContact O-N 3.31Å; A922-R926 PolarHBondContact O-N 2.94Å
923	L	31.2	Very low	45.6	Very low	126 Å²	126	95.5 Å²	95.5	66%	0.66	51%	0.507	S	S	*	.	H	α-helix	trans	-62.6	-26.3	176.4	-75.5	166.7	0	0	0	113.9	T919 A921	T919-L923 WeakPolarHBondContact O-CG 3.36Å; T919-L923 PolarHBondContact O-N 3.34Å; A921-L923 VanDerWaalsContact C-N 3.28Å; A921-L923 PolarHBondContact O-N 3.4Å
924	K	40.6	Very low	43.6	Very low	173 Å²	173	103.7 Å²	103.7	75%	0.752	54%	0.543	S	S	*	.	H	α-helix	trans	-78.9	-20.8	173.3	-95.4	179.9	176.2	173.3	0	113.7	A921 A922	A921-K924 PolarHBondContact O-N 2.93Å; A921-K924 VanDerWaalsContact O-N 3.09Å; A922-K924 VanDerWaalsContact C-N 3.26Å; A922-K924 PolarHBondContact O-N 2.88Å
925	G	36.2	Very low	41.9	Very low	68 Å²	68	105.7 Å²	105.7	70%	0.701	56%	0.557	S	S	*	*	H	α-helix	trans	-88.2	-29.4	-176.7	0	0	0	0	0	115.1	A922 K927	A922-G925 PolarHBondContact O-N 3.31Å; G925-K927 PolarHBondContact O-N 3.18Å
926	R	32.2	Very low	40.4	Very low	207 Å²	207	105.8 Å²	105.8	78%	0.781	55%	0.553	S	S	*	*	S	Bend	trans	-73.6	120.5	-176.2	-85.3	-177.6	168.1	172.2	-3.1	112.5	A922 K928	A922-R926 PolarHBondContact O-N 2.94Å; R926-K928 PolarHBondContact O-N 2.86Å; R926-K928 VanDerWaalsContact O-N 3.16Å
927	K	35.8	Very low	39	Very low	193 Å²	193	114.6 Å²	114.6	84%	0.839	59%	0.591	S	S	*	*			trans	-22.3	104.9	178.7	-69.4	174.9	178.5	172.2	0	114.8	G925 K929	G925-K927 PolarHBondContact O-N 3.18Å; K927-K929 PolarHBondContact O-N 3.41Å
928	K	36.9	Very low	37.7	Very low	181 Å²	181	123.2 Å²	123.2	79%	0.787	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.6	17	-176.9	-146.4	179.6	-173.5	-179.6	0	117.7	R926	R926-K928 PolarHBondContact O-N 2.86Å; R926-K928 VanDerWaalsContact O-N 3.16Å
929	K	33.6	Very low	36.9	Very low	194 Å²	194	125.3 Å²	125.3	84%	0.843	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132.1	-17.7	-172.1	-72	-169.8	174.7	-175	0	116.3	K927	K927-K929 PolarHBondContact O-N 3.41Å
930	S	39	Very low	36.5	Very low	87 Å²	87	132.6 Å²	132.6	61%	0.608	66%	0.659	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.8	-43.4	-170.4	-173.5	0	0	0	0	114.9	S933	S930-S933 PolarHBondContact O-OG 2.88Å
931	I	38.6	Very low	36.1	Very low	111 Å²	111	139.5 Å²	139.5	57%	0.569	68%	0.681	S	S	*	*	S	Bend	trans	-87	-35.4	-175.4	-62.7	171	0	0	0	111.4	S933 K934 V935	I931-S933 VanDerWaalsContact C-N 3.27Å; I931-S933 PolarHBondContact O-N 2.81Å; I931-K934 PolarHBondContact O-N 2.88Å; I931-K934 VanDerWaalsContact O-N 3.11Å; I931-V935 HydrophobicContact CG2-CG2 3.94Å; I931-V935 PolarHBondContact O-N 2.88Å; I931-V935 VanDerWaalsContact O-N 3.14Å
932	M	32.5	Very low	35.8	Very low	113 Å²	113	146.4 Å²	146.4	56%	0.557	69%	0.694	S	S	*	*	H	α-helix	trans	-55.9	-36.6	178.6	-92.9	-175.9	178.9	0	0	113.3	K934 V935 I936	M932-K934 VanDerWaalsContact C-N 3.3Å; M932-K934 PolarHBondContact O-N 2.94Å; M932-V935 PolarHBondContact O-N 2.9Å; M932-I936 HydrophobicContact CB-CD1 3.81Å; M932-I936 HydrophobicContact CG-CD1 4.13Å; M932-I936 WeakPolarHBondContact O-CB 3.49Å; M932-I936 VanDerWaalsContact O-CD1 3.3Å; M932-I936 WeakPolarHBondContact O-CD1 3.47Å; M932-I936 WeakPolarHBondContact O-CG1 3.28Å; M932-I936 PolarHBondContact O-N 3.06Å
933	S	34.9	Very low	35.7	Very low	79 Å²	79	153.1 Å²	153.1	55%	0.552	71%	0.711	S	S	*	*	H	α-helix	trans	-69.3	-24.3	-179.4	57.4	0	0	0	0	114.1	S930 I931	S930-S933 PolarHBondContact O-OG 2.88Å; I931-S933 VanDerWaalsContact C-N 3.27Å; I931-S933 PolarHBondContact O-N 2.81Å
934	K	35.8	Very low	35.7	Very low	179 Å²	179	151.9 Å²	151.9	78%	0.778	71%	0.713	S	S	*	*	H	α-helix	trans	-86.7	-38.6	174.8	-72.4	-174.2	173.8	-175.9	0	112.2	I931 M932	I931-K934 PolarHBondContact O-N 2.88Å; I931-K934 VanDerWaalsContact O-N 3.11Å; M932-K934 VanDerWaalsContact C-N 3.3Å; M932-K934 PolarHBondContact O-N 2.94Å
935	V	37.9	Very low	35.6	Very low	78 Å²	78	146 Å²	146	47%	0.473	70%	0.696	S	S	.	*	H	α-helix	trans	-74.4	-37	178.5	-178.7	0	0	0	0	112.4	I931 M932 K937 H938 D939	I931-V935 HydrophobicContact CG2-CG2 3.94Å; I931-V935 PolarHBondContact O-N 2.88Å; I931-V935 VanDerWaalsContact O-N 3.14Å; M932-V935 PolarHBondContact O-N 2.9Å; V935-K937 PolarHBondContact O-N 3.27Å; V935-K937 VanDerWaalsContact O-N 3.07Å; V935-H938 PolarHBondContact O-N 2.98Å; V935-H938 VanDerWaalsContact O-N 3.13Å; V935-D939 PolarHBondContact O-N 2.83Å
936	I	40.1	Very low	35.7	Very low	91 Å²	91	143.7 Å²	143.7	47%	0.467	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.1	-15.2	-177.4	-72.8	168.5	0	0	0	113.8	M932	M932-I936 HydrophobicContact CB-CD1 3.81Å; M932-I936 HydrophobicContact CG-CD1 4.13Å; M932-I936 WeakPolarHBondContact O-CB 3.49Å; M932-I936 VanDerWaalsContact O-CD1 3.3Å; M932-I936 WeakPolarHBondContact O-CD1 3.47Å; M932-I936 WeakPolarHBondContact O-CG1 3.28Å; M932-I936 PolarHBondContact O-N 3.06Å
937	K	35.4	Very low	36.1	Very low	192 Å²	192	139.5 Å²	139.5	84%	0.835	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.9	-24.8	174.9	-92.2	-171.6	172.6	-174.9	0	114.3	V935	V935-K937 PolarHBondContact O-N 3.27Å; V935-K937 VanDerWaalsContact O-N 3.07Å
938	H	35.8	Very low	36.4	Very low	186 Å²	186	138.2 Å²	138.2	86%	0.861	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.9	-16.4	-176	-132.3	-81.1	0	0	0	114.2	V935	V935-H938 PolarHBondContact O-N 2.98Å; V935-H938 VanDerWaalsContact O-N 3.13Å
939	D	37.7	Very low	37	Very low	85 Å²	85	131.6 Å²	131.6	46%	0.455	64%	0.639	S	S	.	*			trans	-112.5	18.6	-163.8	-154.7	23.2	0	0	0	115.2	V935 R941	V935-D939 PolarHBondContact O-N 2.83Å; D939-R941 PolarHBondContact O-N 3.04Å; D939-R941 VanDerWaalsContact O-N 3.09Å
940	R	35.2	Very low	38.2	Very low	211 Å²	211	124.6 Å²	124.6	80%	0.796	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.7	-4.3	-179.5	-79.8	-172.7	174.6	-166.8	-2.8	115.1
941	R	34.8	Very low	39.5	Very low	249 Å²	249	124.2 Å²	124.2	94%	0.94	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	-5.2	-178.4	-75.6	-175.6	172.2	177.1	-2.6	115.4	D939	D939-R941 PolarHBondContact O-N 3.04Å; D939-R941 VanDerWaalsContact O-N 3.09Å
942	R	35.3	Very low	41.2	Very low	207 Å²	207	121.8 Å²	121.8	78%	0.781	59%	0.592	S	S	*	*			trans	-112.9	37.9	-179.5	-75.6	-175.9	166.8	-177.6	-3.9	114.7	S944	R942-S944 PolarHBondContact O-N 3.35Å
943	K	29.2	Very low	43.5	Very low	206 Å²	206	116.6 Å²	116.6	90%	0.896	57%	0.566	S	S	*	*			trans	-71.8	64.8	165.2	-76	-174.1	175.5	178.9	0	111.4
944	S	33.1	Very low	45.5	Very low	100 Å²	100	117 Å²	117	70%	0.699	56%	0.558	S	S	*	*			trans	-80.3	152.8	173	-168.8	0	0	0	0	111.1	R942 G946	R942-S944 PolarHBondContact O-N 3.35Å; S944-G946 PolarHBondContact O-N 3.19Å
945	A	38.4	Very low	47.7	Very low	49 Å²	49	116.2 Å²	116.2	41%	0.405	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64.8	4.2	-160.6	0	0	0	0	0	117.8	Q949	A945-Q949 PolarHBondContact O-NE2 2.95Å
946	G	37.2	Very low	49.7	Very low	19 Å²	19	118 Å²	118	20%	0.196	56%	0.556	C	S	.	*	T	Hydrogen-bonded Turn	trans	-72.5	-53.8	-175.3	0	0	0	0	0	114.1	S944 Q948 Q949	S944-G946 PolarHBondContact O-N 3.19Å; G946-Q948 PolarHBondContact O-N 3.39Å; G946-Q949 WeakPolarHBondContact O-CB 3.14Å; G946-Q949 PolarHBondContact O-N 2.87Å
947	T	40.7	Very low	51.9	Low	120 Å²	120	116.6 Å²	116.6	74%	0.736	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-11.5	-170.6	-22.5	0	0	0	0	114.6
948	Q	43.3	Very low	54.1	Low	166 Å²	166	117 Å²	117	78%	0.776	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-21.2	174.4	-69.3	-174.8	-6.2	0	0	113.2	G946	G946-Q948 PolarHBondContact O-N 3.39Å
949	Q	49.5	Very low	56.4	Low	41 Å²	41	117.5 Å²	117.5	19%	0.192	55%	0.55	C	S	.	*	G	3₁₀ helix	trans	-74.6	-52.4	-173.8	-63.9	171.1	43.1	0	0	111.1	E658 K780 A945 G946 N951 V952	E658-Q949 WeakPolarHBondContact OE1-CB 3.27Å; K780-Q949 HydrophobicContact CD-CG 4.47Å; A945-Q949 PolarHBondContact O-NE2 2.95Å; G946-Q949 WeakPolarHBondContact O-CB 3.14Å; G946-Q949 PolarHBondContact O-N 2.87Å; Q949-N951 PolarHBondContact O-N 2.97Å; Q949-V952 VanDerWaalsContact O-CG2 3.3Å; Q949-V952 WeakPolarHBondContact O-CG2 3.37Å; Q949-V952 PolarHBondContact O-N 3.05Å
950	L	58.1	Low	58.8	Low	47 Å²	47	113.5 Å²	113.5	25%	0.246	53%	0.529	C	S	.	.	G	3₁₀ helix	trans	-48.8	-5.7	-178.9	-85.1	158	0	0	0	118.6	P657 E658 I784	P657-L950 HydrophobicContact CG-CD2 3.88Å; E658-L950 PolarHBondContact OE1-N 3.48Å; I784-L950 HydrophobicContact CD1-CD2 3.6Å; I784-L950 HydrophobicContact CD1-CG 4Å
951	N	66	Low	61.6	Low	80 Å²	80	105.2 Å²	105.2	43%	0.428	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-140.4	19.1	178.1	-61.4	-85.3	0	0	0	114.5	Q949 F953 K954	Q949-N951 PolarHBondContact O-N 2.97Å; N951-F953 VanDerWaalsContact C-N 3.34Å; N951-F953 PolarHBondContact O-N 2.96Å; N951-K954 HydrophobicContact CB-CB 4.33Å; N951-K954 PolarHBondContact O-N 3.5Å
952	V	74	Confident	64.5	Low	60 Å²	60	93.3 Å²	93.3	36%	0.364	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-48.4	-53.2	-178.7	166.5	0	0	0	0	111.6	Q949 K954	Q949-V952 VanDerWaalsContact O-CG2 3.3Å; Q949-V952 WeakPolarHBondContact O-CG2 3.37Å; Q949-V952 PolarHBondContact O-N 3.05Å; V952-K954 VanDerWaalsContact C-N 3.26Å; V952-K954 PolarHBondContact O-N 3.27Å
953	F	81.4	Confident	67.3	Low	3 Å²	3	83.5 Å²	83.5	1%	0.013	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-82.6	11.8	-178.7	-54.8	-54.9	0	0	0	115.3	E658 D661 F662 N665 L776 L778 N951 Y987	E658-F953 HydrophobicContact CB-CD2 4.21Å; E658-F953 HydrophobicContact CB-CE2 4.22Å; E658-F953 VanDerWaalsContact O-CD2 3.28Å; E658-F953 WeakPolarHBondContact O-CD2 3.32Å; D661-F953 HydrophobicContact CB-CB 4.12Å; F662-F953 HydrophobicContact CB-CD2 3.78Å; F662-F953 HydrophobicContact CB-CE2 3.83Å; F662-F953 HydrophobicContact CB-CG 4.23Å; F662-F953 HydrophobicContact CB-CZ 4.31Å; F662-F953 AromaticContact CD2-CD1 3.83Å; F662-F953 HydrophobicContact CD2-CD1 3.83Å; F662-F953 HydrophobicContact CD2-CD2 4.26Å; F662-F953 AromaticContact CD2-CE1 3.55Å; F662-F953 HydrophobicContact CD2-CE1 3.55Å; F662-F953 AromaticContact CD2-CE2 4Å; F662-F953 HydrophobicContact CD2-CE2 4Å; F662-F953 HydrophobicContact CD2-CG 4.15Å; F662-F953 AromaticContact CD2-CZ 3.6Å; F662-F953 HydrophobicContact CD2-CZ 3.6Å; F662-F953 HydrophobicContact CE2-CE1 4.11Å; F662-F953 HydrophobicContact CE2-CZ 4.34Å; F662-F953 HydrophobicContact CG-CE2 4.31Å; F662-F953 HydrophobicContact CG-CZ 4.3Å; N665-F953 PolarHBondContact ND2-O 3.38Å; L776-F953 HydrophobicContact CD2-CE2 4.36Å; L776-F953 HydrophobicContact CD2-CZ 4.38Å; L778-F953 HydrophobicContact CD1-CE2 4.33Å; L778-F953 HydrophobicContact CD2-CE2 4.39Å; L778-F953 HydrophobicContact CD2-CZ 3.88Å; N951-F953 VanDerWaalsContact C-N 3.34Å; N951-F953 PolarHBondContact O-N 2.96Å; F953-Y987 HydrophobicContact CB-CD1 4.4Å; F953-Y987 HydrophobicContact CD1-CD1 4.27Å; F953-Y987 HydrophobicContact CD1-CD2 4.16Å; F953-Y987 AromaticContact CD1-CE1 3.73Å; F953-Y987 HydrophobicContact CD1-CE1 3.73Å; F953-Y987 AromaticContact CD1-CE2 3.61Å; F953-Y987 HydrophobicContact CD1-CE2 3.61Å; F953-Y987 HydrophobicContact CD1-CG 4.47Å; F953-Y987 AromaticContact CD1-CZ 3.37Å; F953-Y987 HydrophobicContact CE1-CE1 4.36Å; F953-Y987 HydrophobicContact CE1-CE2 4.09Å; F953-Y987 AromaticContact CE1-CZ 3.72Å; F953-Y987 WeakPolarHBondContact CE1-OH 3.48Å
954	K	77.5	Confident	70.5	Confident	89 Å²	89	73.7 Å²	73.7	39%	0.387	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-110.3	-10.5	176.8	-78.4	-176.3	165.7	142.7	0	114.2	D661 N951 V952	D661-K954 VanDerWaalsContact CG-CE 3.43Å; D661-K954 VanDerWaalsContact OD1-CE 3.27Å; D661-K954 WeakPolarHBondContact OD1-CE 3.37Å; D661-K954 IonicContact OD1-NZ 2.81Å; D661-K954 PolarHBondContact OD1-NZ 2.89Å; D661-K954 VanDerWaalsContact OD2-CE 3.26Å; D661-K954 WeakPolarHBondContact OD2-CE 3.26Å; D661-K954 IonicContact OD2-NZ 2.65Å; D661-K954 PolarHBondContact OD2-NZ 2.74Å; N951-K954 HydrophobicContact CB-CB 4.33Å; N951-K954 PolarHBondContact O-N 3.5Å; V952-K954 VanDerWaalsContact C-N 3.26Å; V952-K954 PolarHBondContact O-N 3.27Å
955	K	80.6	Confident	73.4	Confident	162 Å²	162	68.9 Å²	68.9	70%	0.704	34%	0.344	S	S	*	.	S	Bend	trans	-103.9	118.2	178	-173.7	-176.7	175.3	-168.5	0	109.2	I957	K955-I957 PolarHBondContact O-N 2.89Å
956	K	81.3	Confident	75.9	Confident	115 Å²	115	66.6 Å²	66.6	50%	0.5	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-57.8	132.8	174	-67	-166.7	176.8	-176.8	0	111.1	Y987 E989	K956-Y987 WeakPolarHBondContact CA-O 3.21Å; K956-E989 WeakPolarHBondContact CE-OE2 3.33Å; K956-E989 IonicContact NZ-OE1 3.81Å; K956-E989 PolarHBondContact NZ-OE1 3.03Å; K956-E989 IonicContact NZ-OE2 2.71Å; K956-E989 PolarHBondContact NZ-OE2 3.13Å
957	I	85.6	Confident	78.3	Confident	62 Å²	62	66 Å²	66	32%	0.318	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-99	123.9	175.7	-57.3	176.2	0	0	0	108	K955 A960 Y987 L988	K955-I957 PolarHBondContact O-N 2.89Å; I957-A960 HydrophobicContact CB-CB 4.14Å; I957-A960 HydrophobicContact CG2-CB 3.89Å; I957-Y987 HydrophobicContact CD1-CD2 4.23Å; I957-Y987 HydrophobicContact CD1-CE2 4.29Å; I957-Y987 PolarHBondContact N-O 3.37Å; I957-L988 HydrophobicContact CB-CD2 4.46Å; I957-L988 HydrophobicContact CD1-CD2 4.13Å
958	K	81	Confident	80.3	Confident	199 Å²	199	61.5 Å²	61.5	87%	0.865	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	135.4	176.8	-69.4	-173.6	175	-173.4	0	109.9	A960	K958-A960 VanDerWaalsContact C-N 3.34Å; K958-A960 PolarHBondContact O-N 3.36Å
959	K	83.6	Confident	82.2	Confident	197 Å²	197	53.7 Å²	53.7	86%	0.857	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.9	41.6	179.1	-57.4	-177.4	175.7	-177.1	0	113.4
960	A	90	Very high	83.8	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.008	24%	0.241	C	C	.	.			trans	-68.9	157.1	178.6	0	0	0	0	0	112.6	I957 K958 L988 A991 K992 N1101	I957-A960 HydrophobicContact CB-CB 4.14Å; I957-A960 HydrophobicContact CG2-CB 3.89Å; K958-A960 VanDerWaalsContact C-N 3.34Å; K958-A960 PolarHBondContact O-N 3.36Å; A960-L988 HydrophobicContact CB-CD2 3.62Å; A960-A991 HydrophobicContact CB-CB 3.88Å; A960-A991 CarbonylContact O-C 3.53Å; A960-A991 VanDerWaalsContact O-CA 3.29Å; A960-A991 WeakPolarHBondContact O-CA 3.43Å; A960-K992 PolarHBondContact O-N 3.4Å; A960-N1101 WeakPolarHBondContact CA-OD1 3.43Å; A960-N1101 HydrophobicContact CB-CB 4.23Å; A960-N1101 WeakPolarHBondContact CB-OD1 3.38Å
961	V	93.3	Very high	84.8	Confident	37 Å²	37	49.6 Å²	49.6	22%	0.224	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.7	175.1	-177.5	0	0	0	0	109.1	D963 K992 R994 N1101	V961-D963 WeakPolarHBondContact CG1-OD1 3.23Å; V961-K992 WeakPolarHBondContact CA-O 3.45Å; V961-R994 HydrophobicContact CG1-CG 4.26Å; V961-N1101 PolarHBondContact N-OD1 3.34Å; V961-N1101 WeakPolarHBondContact O-CB 3.2Å; V961-N1101 PolarHBondContact O-N 3.06Å
962	I	94.8	Very high	85.8	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	123.5	173.3	-56.7	174.3	0	0	0	107.5	V964 P978 L981 T982 L988 A991 K992 L993 R994 L1102 V1104	I962-V964 HydrophobicContact CG2-CG2 4.18Å; I962-P978 HydrophobicContact CG2-CB 3.76Å; I962-L981 HydrophobicContact CD1-CB 4.35Å; I962-T982 HydrophobicContact CD1-CG2 4.02Å; I962-L988 HydrophobicContact CD1-CB 4.18Å; I962-L988 HydrophobicContact CD1-CD1 3.66Å; I962-L988 HydrophobicContact CG1-CD1 3.82Å; I962-A991 HydrophobicContact CD1-CB 3.86Å; I962-A991 HydrophobicContact CG1-CB 3.91Å; I962-K992 PolarHBondContact N-O 3.47Å; I962-L993 HydrophobicContact CB-CD2 3.98Å; I962-L993 HydrophobicContact CD1-CD2 4.43Å; I962-L993 HydrophobicContact CG2-CD2 4.05Å; I962-L993 WeakPolarHBondContact O-CA 3.3Å; I962-R994 PolarHBondContact O-N 2.86Å; I962-L1102 WeakPolarHBondContact CA-O 3.41Å; I962-L1102 HydrophobicContact CG1-CB 4.41Å; I962-L1102 HydrophobicContact CG2-CB 4.44Å; I962-L1102 HydrophobicContact CG2-CD2 4.32Å; I962-L1102 HydrophobicContact CG2-CG 4.49Å; I962-V1104 HydrophobicContact CG2-CG2 4.28Å
963	D	95.6	Very high	86.6	Confident	0 Å²	0	43 Å²	43	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	133.5	175.4	-67.3	-7.8	0	0	0	109.6	V961 R994 F996 S1097 A1100 L1102 V1103 V1104	V961-D963 WeakPolarHBondContact CG1-OD1 3.23Å; D963-R994 CarbonylContact C-O 3.58Å; D963-R994 WeakPolarHBondContact CA-O 3.36Å; D963-R994 IonicContact OD1-CZ 3.59Å; D963-R994 VanDerWaalsContact OD1-CZ 3.28Å; D963-R994 IonicContact OD1-NE 2.74Å; D963-R994 PolarHBondContact OD1-NE 2.9Å; D963-R994 IonicContact OD1-NH2 2.88Å; D963-R994 PolarHBondContact OD1-NH2 3.16Å; D963-R994 IonicContact OD2-CZ 3.48Å; D963-R994 IonicContact OD2-NE 3.87Å; D963-R994 IonicContact OD2-NH2 2.61Å; D963-R994 PolarHBondContact OD2-NH2 2.95Å; D963-F996 HydrophobicContact CB-CD2 4.29Å; D963-F996 HydrophobicContact CB-CE2 3.86Å; D963-S1097 WeakPolarHBondContact CB-OG 3.13Å; D963-S1097 VanDerWaalsContact OD2-CA 3.24Å; D963-S1097 WeakPolarHBondContact OD2-CA 3.45Å; D963-S1097 WeakPolarHBondContact OD2-CB 3.11Å; D963-S1097 PolarHBondContact OD2-OG 3.12Å; D963-A1100 HydrophobicContact CB-CB 4.39Å; D963-L1102 PolarHBondContact N-O 3.03Å; D963-L1102 VanDerWaalsContact N-O 3.08Å; D963-V1103 HydrophobicContact CB-CG2 4.42Å; D963-V1103 CarbonylContact O-C 3.48Å; D963-V1103 WeakPolarHBondContact O-CA 3.39Å; D963-V1104 PolarHBondContact O-N 3.46Å
964	V	94.8	Very high	87.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	106.2	-177.3	-172.1	0	0	0	0	109.4	I962 W966 T974 P978 L993 R994 I995 F996 V1104	I962-V964 HydrophobicContact CG2-CG2 4.18Å; V964-W966 HydrophobicContact CG1-CB 4.48Å; V964-W966 PolarHBondContact O-N 3.47Å; V964-T974 HydrophobicContact CG1-CG2 3.98Å; V964-P978 HydrophobicContact CG1-CG 4.25Å; V964-P978 HydrophobicContact CG2-CB 3.86Å; V964-P978 HydrophobicContact CG2-CG 3.58Å; V964-L993 HydrophobicContact CG2-CD2 4.06Å; V964-R994 PolarHBondContact N-O 3.35Å; V964-I995 HydrophobicContact CB-CG1 4.3Å; V964-I995 CarbonylContact O-C 3.56Å; V964-I995 WeakPolarHBondContact O-CA 3.46Å; V964-F996 PolarHBondContact O-N 2.97Å; V964-V1104 CarbonylContact C-O 3.54Å; V964-V1104 WeakPolarHBondContact CA-O 3.43Å; V964-V1104 HydrophobicContact CG1-CB 4.42Å; V964-V1104 HydrophobicContact CG2-CB 4.46Å
965	W	94.3	Very high	87.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	86.4	175.9	-69.8	71.5	0	0	0	109	L967 F996 I1029 I1089 E1092 M1093 H1096 S1097 V1104 V1105 T1106	W965-L967 HydrophobicContact CE3-CD2 4.3Å; W965-L967 PolarHBondContact O-N 3.09Å; W965-F996 CarbonylContact C-O 3.24Å; W965-F996 WeakPolarHBondContact CA-O 3.34Å; W965-F996 HydrophobicContact CD2-CB 3.72Å; W965-F996 HydrophobicContact CD2-CG 4.17Å; W965-F996 AromaticContact CE2-CD2 3.93Å; W965-F996 AromaticContact CE2-CG 3.72Å; W965-F996 HydrophobicContact CE3-CB 4Å; W965-F996 HydrophobicContact CG-CB 4.07Å; W965-F996 HydrophobicContact CH2-CB 4.39Å; W965-F996 HydrophobicContact CH2-CD1 4.18Å; W965-F996 HydrophobicContact CH2-CG 4.38Å; W965-F996 HydrophobicContact CZ2-CB 4.16Å; W965-F996 AromaticContact CZ2-CD1 3.82Å; W965-F996 HydrophobicContact CZ2-CD1 3.82Å; W965-F996 HydrophobicContact CZ2-CD2 4.3Å; W965-F996 HydrophobicContact CZ2-CE1 4.29Å; W965-F996 AromaticContact CZ2-CG 3.83Å; W965-F996 HydrophobicContact CZ2-CG 3.83Å; W965-F996 HydrophobicContact CZ3-CB 4.34Å; W965-F996 AromaticContact NE1-CD2 3.69Å; W965-F996 AromaticContact NE1-CG 3.99Å; W965-I1029 HydrophobicContact CE3-CD1 4.34Å; W965-I1029 HydrophobicContact CH2-CD1 3.41Å; W965-I1029 VanDerWaalsContact CH2-CD1 3.41Å; W965-I1029 HydrophobicContact CZ3-CD1 3.32Å; W965-I1089 HydrophobicContact CE3-CG2 4.48Å; W965-E1092 VanDerWaalsContact CH2-C 3.47Å; W965-E1092 HydrophobicContact CH2-CB 3.69Å; W965-E1092 HydrophobicContact CZ3-CB 3.96Å; W965-M1093 HydrophobicContact CD2-CG 3.62Å; W965-M1093 HydrophobicContact CD2-SD 4.42Å; W965-M1093 HydrophobicContact CE3-CG 3.77Å; W965-M1093 HydrophobicContact CG-CG 4.3Å; W965-M1093 HydrophobicContact CH2-CB 4.49Å; W965-M1093 HydrophobicContact CH2-CG 3.9Å; W965-M1093 HydrophobicContact CZ2-CB 4.25Å; W965-M1093 HydrophobicContact CZ2-CG 3.72Å; W965-M1093 HydrophobicContact CZ3-CG 3.89Å; W965-H1096 HydrophobicContact CZ2-CB 4.25Å; W965-S1097 PolarHBondContact NE1-OG 2.88Å; W965-V1104 PolarHBondContact N-O 2.83Å; W965-V1105 HydrophobicContact CB-CB 3.88Å; W965-V1105 HydrophobicContact CB-CG2 3.84Å; W965-V1105 WeakPolarHBondContact O-CA 3.41Å; W965-T1106 PolarHBondContact O-N 2.8Å; W965-T1106 PolarHBondContact O-OG1 2.83Å
966	W	91.1	Very high	88.1	Confident	1 Å²	1	31.8 Å²	31.8	0%	0.004	14%	0.144	C	C	.	.			trans	-94.6	77.8	-177.1	-165.9	29.7	0	0	0	109.6	P83 Y88 V964 D970 L975 F996 L1012 L1015 F1016	P83-W966 HydrophobicContact CB-CD2 4.02Å; P83-W966 HydrophobicContact CB-CE3 3.83Å; P83-W966 HydrophobicContact CB-CH2 3.62Å; P83-W966 HydrophobicContact CB-CZ2 3.8Å; P83-W966 HydrophobicContact CB-CZ3 3.63Å; P83-W966 HydrophobicContact CG-CD2 3.46Å; P83-W966 VanDerWaalsContact CG-CD2 3.46Å; P83-W966 HydrophobicContact CG-CE3 3.69Å; P83-W966 HydrophobicContact CG-CG 3.93Å; P83-W966 HydrophobicContact CG-CH2 4.17Å; P83-W966 HydrophobicContact CG-CZ2 3.95Å; P83-W966 HydrophobicContact CG-CZ3 4.04Å; Y88-W966 HydrophobicContact CE2-CH2 4.28Å; Y88-W966 HydrophobicContact CE2-CZ2 4.34Å; Y88-W966 AromaticContact CZ-CZ2 3.99Å; Y88-W966 WeakPolarHBondContact OH-CZ2 3.43Å; V964-W966 HydrophobicContact CG1-CB 4.48Å; V964-W966 PolarHBondContact O-N 3.47Å; W966-D970 PolarHBondContact NE1-OD1 3.4Å; W966-D970 VanDerWaalsContact NE1-OD1 3.13Å; W966-L975 HydrophobicContact CH2-CD2 4.49Å; W966-L975 HydrophobicContact CZ3-CD2 4.46Å; W966-F996 PolarHBondContact N-O 3.1Å; W966-L1012 HydrophobicContact CZ3-CD2 4.33Å; W966-L1015 HydrophobicContact CH2-CD2 4.34Å; W966-L1015 HydrophobicContact CZ3-CD2 4.41Å; W966-F1016 HydrophobicContact CE3-CE1 4.16Å; W966-F1016 HydrophobicContact CE3-CZ 4.03Å; W966-F1016 AromaticContact CZ3-CE1 3.76Å; W966-F1016 HydrophobicContact CZ3-CE1 3.76Å; W966-F1016 AromaticContact CZ3-CZ 3.91Å; W966-F1016 HydrophobicContact CZ3-CZ 3.91Å
967	L	87.1	Confident	88.7	Confident	7 Å²	7	26.3 Å²	26.3	4%	0.037	12%	0.121	C	C	.	.			trans	-81.4	-34.7	-168.6	-62.4	175	0	0	0	113	W965 I1032 I1089 V1105 T1106	W965-L967 HydrophobicContact CE3-CD2 4.3Å; W965-L967 PolarHBondContact O-N 3.09Å; L967-I1032 HydrophobicContact CD2-CD1 4Å; L967-I1089 HydrophobicContact CD1-CD1 3.72Å; L967-I1089 HydrophobicContact CD1-CG1 4.2Å; L967-I1089 HydrophobicContact CD1-CG2 4.07Å; L967-V1105 HydrophobicContact CD1-CG2 4.41Å; L967-T1106 PolarHBondContact N-OG1 3.45Å
968	Y	83.8	Confident	89	Confident	25 Å²	25	23.4 Å²	23.4	10%	0.098	11%	0.106	C	C	.	.	S	Bend	trans	-132.8	148.5	-176.3	-43.5	-69.5	0	0	0	110.5	E80 D970 E1085 T1106	E80-Y968 HydrophobicContact CB-CD1 3.77Å; E80-Y968 HydrophobicContact CB-CE1 4.44Å; E80-Y968 HydrophobicContact CB-CG 4.12Å; Y968-D970 PolarHBondContact O-N 3.21Å; Y968-D970 VanDerWaalsContact O-N 3.08Å; Y968-E1085 PolarHBondContact OH-OE1 3.13Å; Y968-T1106 HydrophobicContact CD2-CG2 3.86Å
969	D	82.6	Confident	89.5	Confident	2 Å²	2	17.4 Å²	17.4	1%	0.011	8%	0.078	C	C	.	.			trans	-70.7	105	-180	-172.4	16	0	0	0	112.2	P81 N87 Y88 R104 G971 Q1141	P81-D969 PolarHBondContact O-N 3.14Å; N87-D969 WeakPolarHBondContact CB-OD2 3.25Å; N87-D969 PolarHBondContact ND2-OD2 2.9Å; Y88-D969 PolarHBondContact OH-OD1 3.44Å; R104-D969 IonicContact CZ-OD1 3.82Å; R104-D969 IonicContact CZ-OD2 3.81Å; R104-D969 VanDerWaalsContact CZ-OD2 3.26Å; R104-D969 VanDerWaalsContact NE-CG 3.29Å; R104-D969 IonicContact NE-OD1 3.34Å; R104-D969 PolarHBondContact NE-OD1 2.99Å; R104-D969 IonicContact NE-OD2 2.67Å; R104-D969 PolarHBondContact NE-OD2 3.46Å; R104-D969 VanDerWaalsContact NH2-CG 3.33Å; R104-D969 IonicContact NH2-OD1 3.26Å; R104-D969 PolarHBondContact NH2-OD1 3.42Å; R104-D969 IonicContact NH2-OD2 3.97Å; R104-D969 PolarHBondContact NH2-OD2 3.5Å; D969-G971 PolarHBondContact OD1-N 3.4Å; D969-Q1141 PolarHBondContact O-NE2 3.45Å
970	D	83.9	Confident	89.8	Confident	1 Å²	1	9.7 Å²	9.7	1%	0.005	5%	0.046	C	C	.	.			trans	-103.7	7.9	-175.4	81.3	-36	0	0	0	114.3	W966 Y968 G972 L973 T974 G1139 Q1141	W966-D970 PolarHBondContact NE1-OD1 3.4Å; W966-D970 VanDerWaalsContact NE1-OD1 3.13Å; Y968-D970 PolarHBondContact O-N 3.21Å; Y968-D970 VanDerWaalsContact O-N 3.08Å; D970-G972 VanDerWaalsContact C-N 3.33Å; D970-G972 WeakPolarHBondContact OD1-CA 3.35Å; D970-G972 PolarHBondContact OD1-N 3.34Å; D970-L973 PolarHBondContact OD1-N 2.93Å; D970-L973 PolarHBondContact OD2-N 3.03Å; D970-T974 VanDerWaalsContact CG-OG1 3.29Å; D970-T974 WeakPolarHBondContact OD2-CB 3.34Å; D970-T974 PolarHBondContact OD2-N 2.96Å; D970-T974 PolarHBondContact OD2-OG1 3.35Å; D970-G1139 VanDerWaalsContact O-CA 3.29Å; D970-G1139 WeakPolarHBondContact O-CA 3.42Å; D970-G1139 PolarHBondContact OD2-N 3.46Å; D970-Q1141 VanDerWaalsContact CA-OE1 3.3Å
971	G	79.5	Confident	89.9	Confident	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	84.6	2	-169	0	0	0	0	0	114.5	Y88 D969 S1143 V1144	Y88-G971 WeakPolarHBondContact CE1-O 3.33Å; Y88-G971 VanDerWaalsContact OH-CA 3.3Å; Y88-G971 WeakPolarHBondContact OH-CA 3.48Å; Y88-G971 PolarHBondContact OH-N 2.98Å; D969-G971 PolarHBondContact OD1-N 3.4Å; G971-S1143 WeakPolarHBondContact O-CA 3.17Å; G971-V1144 WeakPolarHBondContact O-CG2 3.45Å; G971-V1144 PolarHBondContact O-N 3.3Å
972	G	86.7	Confident	89.7	Confident	0 Å²	0	9 Å²	9	0%	0	4%	0.042	C	C	.	.	S	Bend	trans	94.7	11.1	172.1	0	0	0	0	0	113.9	Y88 D970 L975 L976 V1144	Y88-G972 PolarHBondContact OH-N 2.89Å; D970-G972 VanDerWaalsContact C-N 3.33Å; D970-G972 WeakPolarHBondContact OD1-CA 3.35Å; D970-G972 PolarHBondContact OD1-N 3.34Å; G972-L975 PolarHBondContact O-N 2.94Å; G972-L976 WeakPolarHBondContact O-CB 3.46Å; G972-L976 PolarHBondContact O-N 2.78Å; G972-V1144 VanDerWaalsContact C-CG2 3.48Å
973	L	89.7	Confident	89.4	Confident	2 Å²	2	12.1 Å²	12.1	1%	0.01	6%	0.058	C	C	.	.	H	α-helix	trans	-68.3	-39.7	179	-175.5	64.7	0	0	0	111.2	Y642 I739 D970 L975 L976 L977 V1137 V1144	Y642-L973 HydrophobicContact CE1-CD1 4.43Å; I739-L973 HydrophobicContact CD1-CD1 3.82Å; I739-L973 HydrophobicContact CD1-CD2 4.16Å; I739-L973 HydrophobicContact CG1-CD1 4.5Å; I739-L973 HydrophobicContact CG1-CD2 4.05Å; D970-L973 PolarHBondContact OD1-N 2.93Å; D970-L973 PolarHBondContact OD2-N 3.03Å; L973-L975 PolarHBondContact O-N 2.7Å; L973-L976 PolarHBondContact O-N 2.64Å; L973-L977 HydrophobicContact CD1-CD1 4.33Å; L973-L977 HydrophobicContact CD1-CD2 4.16Å; L973-L977 HydrophobicContact CD1-CG 3.99Å; L973-L977 HydrophobicContact CG-CD1 4.23Å; L973-L977 HydrophobicContact CG-CG 4.28Å; L973-L977 WeakPolarHBondContact O-CG 3.38Å; L973-L977 PolarHBondContact O-N 2.84Å; L973-L977 VanDerWaalsContact O-N 3.16Å; L973-V1137 HydrophobicContact CB-CG1 4.41Å; L973-V1137 HydrophobicContact CD2-CG1 4.12Å; L973-V1137 HydrophobicContact CG-CG1 3.97Å; L973-V1144 HydrophobicContact CB-CG2 4.33Å
974	T	91.8	Very high	88.7	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-55.1	-31	173	-61.4	0	0	0	0	112.1	V964 D970 P978 V1104	V964-T974 HydrophobicContact CG1-CG2 3.98Å; D970-T974 VanDerWaalsContact CG-OG1 3.29Å; D970-T974 WeakPolarHBondContact OD2-CB 3.34Å; D970-T974 PolarHBondContact OD2-N 2.96Å; D970-T974 PolarHBondContact OD2-OG1 3.35Å; T974-P978 WeakPolarHBondContact O-CD 3.35Å; T974-P978 WeakPolarHBondContact O-CG 3.44Å; T974-V1104 HydrophobicContact CG2-CG1 4.14Å
975	L	90.5	Very high	88	Confident	1 Å²	1	25.2 Å²	25.2	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-87.7	-40.3	176.8	-175.2	66.5	0	0	0	113.1	W966 G972 L973 P978 Y979 I995 F1016 F1019 I1021 L1145	W966-L975 HydrophobicContact CH2-CD2 4.49Å; W966-L975 HydrophobicContact CZ3-CD2 4.46Å; G972-L975 PolarHBondContact O-N 2.94Å; L973-L975 PolarHBondContact O-N 2.7Å; L975-P978 WeakPolarHBondContact O-CD 3.4Å; L975-P978 WeakPolarHBondContact O-CG 3.47Å; L975-Y979 WeakPolarHBondContact O-CB 3.48Å; L975-Y979 PolarHBondContact O-N 3.35Å; L975-I995 HydrophobicContact CD1-CD1 3.59Å; L975-F1016 HydrophobicContact CD1-CD1 4.44Å; L975-F1016 HydrophobicContact CD1-CE1 4Å; L975-F1016 HydrophobicContact CD2-CD1 3.93Å; L975-F1016 HydrophobicContact CD2-CE1 3.65Å; L975-F1016 HydrophobicContact CG-CE1 4.49Å; L975-F1019 HydrophobicContact CD2-CD2 4.17Å; L975-F1019 HydrophobicContact CD2-CE2 4.34Å; L975-I1021 HydrophobicContact CD2-CD1 3.79Å; L975-I1021 HydrophobicContact CG-CD1 3.97Å; L975-L1145 HydrophobicContact CB-CD1 4.45Å; L975-L1145 HydrophobicContact CD2-CD1 3.82Å; L975-L1145 HydrophobicContact CG-CD1 4.33Å
976	L	90.3	Very high	87.6	Confident	17 Å²	17	25.3 Å²	25.3	9%	0.089	12%	0.116	C	C	.	.	H	α-helix	trans	-65.1	-41.4	-176.3	177.8	62.2	0	0	0	112.7	Y642 G972 L973 Y979 L980 V1144 L1145	Y642-L976 HydrophobicContact CD1-CD2 3.73Å; Y642-L976 HydrophobicContact CE1-CD2 3.8Å; G972-L976 WeakPolarHBondContact O-CB 3.46Å; G972-L976 PolarHBondContact O-N 2.78Å; L973-L976 PolarHBondContact O-N 2.64Å; L976-Y979 HydrophobicContact CD1-CD1 4.43Å; L976-Y979 PolarHBondContact O-N 2.86Å; L976-L980 HydrophobicContact CD1-CD1 4.21Å; L976-L980 HydrophobicContact CD1-CG 4.11Å; L976-L980 HydrophobicContact CG-CD1 4.11Å; L976-L980 HydrophobicContact CG-CG 4.43Å; L976-L980 VanDerWaalsContact O-CG 3.32Å; L976-L980 WeakPolarHBondContact O-CG 3.39Å; L976-L980 PolarHBondContact O-N 3.14Å; L976-V1144 HydrophobicContact CB-CG2 4.2Å; L976-V1144 HydrophobicContact CD2-CB 4.12Å; L976-V1144 HydrophobicContact CD2-CG2 3.83Å; L976-L1145 HydrophobicContact CD1-CD2 4.22Å
977	L	92.1	Very high	87.5	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-62.2	-50.7	-178.9	-64.6	-178	0	0	0	113.8	P644 I666 I739 L973 L980 L981 L1135 V1137	P644-L977 HydrophobicContact CB-CD2 4.07Å; I666-L977 HydrophobicContact CG2-CD2 3.86Å; I739-L977 HydrophobicContact CD1-CD2 4.32Å; L973-L977 HydrophobicContact CD1-CD1 4.33Å; L973-L977 HydrophobicContact CD1-CD2 4.16Å; L973-L977 HydrophobicContact CD1-CG 3.99Å; L973-L977 HydrophobicContact CG-CD1 4.23Å; L973-L977 HydrophobicContact CG-CG 4.28Å; L973-L977 WeakPolarHBondContact O-CG 3.38Å; L973-L977 PolarHBondContact O-N 2.84Å; L973-L977 VanDerWaalsContact O-N 3.16Å; L977-L980 PolarHBondContact O-N 2.87Å; L977-L981 PolarHBondContact O-N 3.38Å; L977-L1135 HydrophobicContact CD1-CD2 4.45Å; L977-V1137 HydrophobicContact CD1-CG1 3.95Å; L977-V1137 HydrophobicContact CD1-CG2 4.03Å
978	P	92.6	Very high	87.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.4	-35.7	175.2	21.7	-30.3	0	0	0	112.9	I962 V964 T974 L975 L980 L981 T982 L993 V1104	I962-P978 HydrophobicContact CG2-CB 3.76Å; V964-P978 HydrophobicContact CG1-CG 4.25Å; V964-P978 HydrophobicContact CG2-CB 3.86Å; V964-P978 HydrophobicContact CG2-CG 3.58Å; T974-P978 WeakPolarHBondContact O-CD 3.35Å; T974-P978 WeakPolarHBondContact O-CG 3.44Å; L975-P978 WeakPolarHBondContact O-CD 3.4Å; L975-P978 WeakPolarHBondContact O-CG 3.47Å; P978-L980 PolarHBondContact O-N 3.19Å; P978-L981 WeakPolarHBondContact O-CB 3.36Å; P978-L981 PolarHBondContact O-N 3.25Å; P978-L981 VanDerWaalsContact O-N 3.08Å; P978-T982 PolarHBondContact O-N 2.79Å; P978-L993 HydrophobicContact CB-CD2 3.94Å; P978-V1104 HydrophobicContact CB-CG2 3.93Å; P978-V1104 HydrophobicContact CG-CB 4.42Å; P978-V1104 HydrophobicContact CG-CG1 4.46Å; P978-V1104 HydrophobicContact CG-CG2 4.09Å
979	Y	90.9	Very high	87.8	Confident	74 Å²	74	27.1 Å²	27.1	29%	0.29	13%	0.125	S	C	.	.	H	α-helix	trans	-59.8	-44	172.7	171.6	-106.7	0	0	0	112.2	L975 L976 L981 T982 I983 I1021	L975-Y979 WeakPolarHBondContact O-CB 3.48Å; L975-Y979 PolarHBondContact O-N 3.35Å; L976-Y979 HydrophobicContact CD1-CD1 4.43Å; L976-Y979 PolarHBondContact O-N 2.86Å; Y979-L981 PolarHBondContact O-N 2.95Å; Y979-T982 PolarHBondContact O-N 3.46Å; Y979-T982 PolarHBondContact O-OG1 3.11Å; Y979-I983 HydrophobicContact CD1-CD1 4.32Å; Y979-I983 HydrophobicContact CE1-CD1 3.79Å; Y979-I1021 HydrophobicContact CD2-CB 4.43Å; Y979-I1021 HydrophobicContact CD2-CG1 4Å; Y979-I1021 HydrophobicContact CD2-CG2 3.93Å; Y979-I1021 HydrophobicContact CE2-CG1 4.17Å; Y979-I1021 HydrophobicContact CG-CD1 4.44Å; Y979-I1021 HydrophobicContact CG-CG1 4.34Å
980	L	90.7	Very high	88	Confident	34 Å²	34	29.9 Å²	29.9	18%	0.178	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-27.7	175.2	-71.8	173.1	0	0	0	112.6	P644 I666 K668 L976 L977 P978 I983	P644-L980 HydrophobicContact CG-CD1 3.58Å; I666-L980 HydrophobicContact CG2-CD1 4.5Å; K668-L980 WeakPolarHBondContact CE-O 3.23Å; K668-L980 PolarHBondContact NZ-O 2.96Å; L976-L980 HydrophobicContact CD1-CD1 4.21Å; L976-L980 HydrophobicContact CD1-CG 4.11Å; L976-L980 HydrophobicContact CG-CD1 4.11Å; L976-L980 HydrophobicContact CG-CG 4.43Å; L976-L980 VanDerWaalsContact O-CG 3.32Å; L976-L980 WeakPolarHBondContact O-CG 3.39Å; L976-L980 PolarHBondContact O-N 3.14Å; L977-L980 PolarHBondContact O-N 2.87Å; P978-L980 PolarHBondContact O-N 3.19Å; L980-I983 HydrophobicContact CD2-CD1 4.11Å
981	L	91.6	Very high	88.3	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-76.7	-18.2	174.9	-69.5	173.4	0	0	0	114.2	F662 N665 I666 I962 L977 P978 Y979 S986 Y987 L988 L1102	F662-L981 HydrophobicContact CE2-CD1 4.25Å; F662-L981 HydrophobicContact CZ-CD1 3.97Å; N665-L981 HydrophobicContact CB-CD2 3.89Å; I666-L981 HydrophobicContact CG1-CD1 4.46Å; I666-L981 HydrophobicContact CG1-CD2 3.87Å; I666-L981 HydrophobicContact CG1-CG 4.18Å; I962-L981 HydrophobicContact CD1-CB 4.35Å; L977-L981 PolarHBondContact O-N 3.38Å; P978-L981 WeakPolarHBondContact O-CB 3.36Å; P978-L981 PolarHBondContact O-N 3.25Å; P978-L981 VanDerWaalsContact O-N 3.08Å; Y979-L981 PolarHBondContact O-N 2.95Å; L981-S986 WeakPolarHBondContact O-CB 3.49Å; L981-S986 PolarHBondContact O-OG 3.05Å; L981-Y987 HydrophobicContact CD2-CE1 4.35Å; L981-L988 CarbonylContact O-C 3.53Å; L981-L988 VanDerWaalsContact O-C 3.32Å; L981-L1102 HydrophobicContact CD1-CD2 3.54Å
982	T	90.5	Very high	89	Confident	24 Å²	24	35.7 Å²	35.7	15%	0.147	18%	0.182	C	C	.	.	H	α-helix	trans	-82.1	-24.8	175	69.4	0	0	0	0	113.2	I962 P978 Y979 E989 G990 A991 L993	I962-T982 HydrophobicContact CD1-CG2 4.02Å; P978-T982 PolarHBondContact O-N 2.79Å; Y979-T982 PolarHBondContact O-N 3.46Å; Y979-T982 PolarHBondContact O-OG1 3.11Å; T982-E989 CarbonylContact O-C 3.58Å; T982-E989 WeakPolarHBondContact O-CA 3.19Å; T982-G990 PolarHBondContact O-N 3.14Å; T982-A991 HydrophobicContact CG2-CB 4.33Å; T982-A991 WeakPolarHBondContact CG2-O 3.33Å; T982-L993 HydrophobicContact CG2-CD1 3.92Å; T982-L993 HydrophobicContact CG2-CD2 4.14Å; T982-L993 HydrophobicContact CG2-CG 3.87Å
983	I	87.5	Confident	89.3	Confident	66 Å²	66	35.8 Å²	35.8	34%	0.338	18%	0.182	S	C	.	.	S	Bend	trans	-64.6	157.5	177.4	-61.1	171.3	0	0	0	111	K668 Y979 L980 S986	K668-I983 PolarHBondContact NZ-O 3.41Å; Y979-I983 HydrophobicContact CD1-CD1 4.32Å; Y979-I983 HydrophobicContact CE1-CD1 3.79Å; L980-I983 HydrophobicContact CD2-CD1 4.11Å; I983-S986 WeakPolarHBondContact O-CB 3.19Å
984	D	81.8	Confident	89.5	Confident	111 Å²	111	38.3 Å²	38.3	59%	0.594	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-40.2	151.3	172.2	-69.5	-4.3	0	0	0	115.7	K668 S986 E989	K668-D984 WeakPolarHBondContact CE-O 3.23Å; K668-D984 PolarHBondContact NZ-O 3.04Å; D984-S986 PolarHBondContact O-N 2.87Å; D984-E989 WeakPolarHBondContact CA-OE2 3.42Å
985	R	80.2	Confident	89.5	Confident	163 Å²	163	38.4 Å²	38.4	62%	0.615	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.4	-0.1	-179.1	-52	178.9	177.1	176.9	-1	115.2	E989	R985-E989 PolarHBondContact N-OE2 2.9Å
986	S	84.8	Confident	89.6	Confident	2 Å²	2	38.4 Å²	38.4	1%	0.014	19%	0.192	C	C	.	.	S	Bend	trans	-81.1	160.8	169.6	180	0	0	0	0	112.3	N665 L981 I983 D984 L988	N665-S986 WeakPolarHBondContact OD1-CA 3.31Å; L981-S986 WeakPolarHBondContact O-CB 3.49Å; L981-S986 PolarHBondContact O-OG 3.05Å; I983-S986 WeakPolarHBondContact O-CB 3.19Å; D984-S986 PolarHBondContact O-N 2.87Å; S986-L988 VanDerWaalsContact C-N 3.27Å; S986-L988 PolarHBondContact OG-N 2.91Å
987	Y	88.8	Confident	89.6	Confident	5 Å²	5	37.6 Å²	37.6	2%	0.02	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.2	165.6	82.5	-76.7	0	0	0	113.5	F662 N665 F953 K956 I957 L981	F662-Y987 HydrophobicContact CD2-CE1 4.18Å; F662-Y987 HydrophobicContact CE2-CE1 4.22Å; F662-Y987 WeakPolarHBondContact CE2-OH 3.41Å; N665-Y987 HydrophobicContact CB-CD1 4.12Å; N665-Y987 PolarHBondContact OD1-N 3.17Å; F953-Y987 HydrophobicContact CB-CD1 4.4Å; F953-Y987 HydrophobicContact CD1-CD1 4.27Å; F953-Y987 HydrophobicContact CD1-CD2 4.16Å; F953-Y987 AromaticContact CD1-CE1 3.73Å; F953-Y987 HydrophobicContact CD1-CE1 3.73Å; F953-Y987 AromaticContact CD1-CE2 3.61Å; F953-Y987 HydrophobicContact CD1-CE2 3.61Å; F953-Y987 HydrophobicContact CD1-CG 4.47Å; F953-Y987 AromaticContact CD1-CZ 3.37Å; F953-Y987 HydrophobicContact CE1-CE1 4.36Å; F953-Y987 HydrophobicContact CE1-CE2 4.09Å; F953-Y987 AromaticContact CE1-CZ 3.72Å; F953-Y987 WeakPolarHBondContact CE1-OH 3.48Å; K956-Y987 WeakPolarHBondContact CA-O 3.21Å; I957-Y987 HydrophobicContact CD1-CD2 4.23Å; I957-Y987 HydrophobicContact CD1-CE2 4.29Å; I957-Y987 PolarHBondContact N-O 3.37Å; L981-Y987 HydrophobicContact CD2-CE1 4.35Å
988	L	89.2	Confident	89.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	26.5	176.2	-60.9	179.6	0	0	0	113	I957 A960 I962 L981 S986 G990 A991 N1101 L1102	I957-L988 HydrophobicContact CB-CD2 4.46Å; I957-L988 HydrophobicContact CD1-CD2 4.13Å; A960-L988 HydrophobicContact CB-CD2 3.62Å; I962-L988 HydrophobicContact CD1-CB 4.18Å; I962-L988 HydrophobicContact CD1-CD1 3.66Å; I962-L988 HydrophobicContact CG1-CD1 3.82Å; L981-L988 CarbonylContact O-C 3.53Å; L981-L988 VanDerWaalsContact O-C 3.32Å; S986-L988 VanDerWaalsContact C-N 3.27Å; S986-L988 PolarHBondContact OG-N 2.91Å; L988-G990 PolarHBondContact O-N 3.48Å; L988-A991 HydrophobicContact CB-CB 4.01Å; L988-A991 WeakPolarHBondContact O-CB 3.45Å; L988-A991 PolarHBondContact O-N 3.43Å; L988-N1101 HydrophobicContact CD2-CB 4.36Å; L988-L1102 HydrophobicContact CD1-CB 4.02Å; L988-L1102 HydrophobicContact CD1-CD2 3.91Å
989	E	88	Confident	88.5	Confident	66 Å²	66	39.4 Å²	39.4	31%	0.308	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.5	123.5	175.8	-176.4	178.8	97.4	0	0	111.8	K956 T982 D984 R985 A991	K956-E989 WeakPolarHBondContact CE-OE2 3.33Å; K956-E989 IonicContact NZ-OE1 3.81Å; K956-E989 PolarHBondContact NZ-OE1 3.03Å; K956-E989 IonicContact NZ-OE2 2.71Å; K956-E989 PolarHBondContact NZ-OE2 3.13Å; T982-E989 CarbonylContact O-C 3.58Å; T982-E989 WeakPolarHBondContact O-CA 3.19Å; D984-E989 WeakPolarHBondContact CA-OE2 3.42Å; R985-E989 PolarHBondContact N-OE2 2.9Å; E989-A991 VanDerWaalsContact C-N 3.34Å
990	G	87.2	Confident	87.6	Confident	61 Å²	61	40.7 Å²	40.7	63%	0.629	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.8	21.3	-175.7	0	0	0	0	0	115.2	T982 L988	T982-G990 PolarHBondContact O-N 3.14Å; L988-G990 PolarHBondContact O-N 3.48Å
991	A	91	Very high	86.8	Confident	10 Å²	10	41.4 Å²	41.4	8%	0.083	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-67.9	147.6	173.3	0	0	0	0	0	112.4	A960 I962 T982 L988 E989	A960-A991 HydrophobicContact CB-CB 3.88Å; A960-A991 CarbonylContact O-C 3.53Å; A960-A991 VanDerWaalsContact O-CA 3.29Å; A960-A991 WeakPolarHBondContact O-CA 3.43Å; I962-A991 HydrophobicContact CD1-CB 3.86Å; I962-A991 HydrophobicContact CG1-CB 3.91Å; T982-A991 HydrophobicContact CG2-CB 4.33Å; T982-A991 WeakPolarHBondContact CG2-O 3.33Å; L988-A991 HydrophobicContact CB-CB 4.01Å; L988-A991 WeakPolarHBondContact O-CB 3.45Å; L988-A991 PolarHBondContact O-N 3.43Å; E989-A991 VanDerWaalsContact C-N 3.34Å
992	K	92.7	Very high	86	Confident	112 Å²	112	45.5 Å²	45.5	49%	0.487	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	122.7	178.7	-69.4	170.7	164.3	-159.4	0	109.9	A960 V961 I962 K1024	A960-K992 PolarHBondContact O-N 3.4Å; V961-K992 WeakPolarHBondContact CA-O 3.45Å; I962-K992 PolarHBondContact N-O 3.47Å; K992-K1024 HydrophobicContact CB-CD 4.43Å; K992-K1024 HydrophobicContact CD-CD 4.16Å
993	L	92.9	Very high	85.3	Confident	3 Å²	3	53 Å²	53	2%	0.016	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	127.6	174.2	-69.3	162.2	0	0	0	110.1	I962 V964 P978 T982 I1021 K1024	I962-L993 HydrophobicContact CB-CD2 3.98Å; I962-L993 HydrophobicContact CD1-CD2 4.43Å; I962-L993 HydrophobicContact CG2-CD2 4.05Å; I962-L993 WeakPolarHBondContact O-CA 3.3Å; V964-L993 HydrophobicContact CG2-CD2 4.06Å; P978-L993 HydrophobicContact CB-CD2 3.94Å; T982-L993 HydrophobicContact CG2-CD1 3.92Å; T982-L993 HydrophobicContact CG2-CD2 4.14Å; T982-L993 HydrophobicContact CG2-CG 3.87Å; L993-I1021 HydrophobicContact CD1-CG2 3.87Å; L993-K1024 WeakPolarHBondContact O-CB 3.48Å; L993-K1024 PolarHBondContact O-N 3.22Å
994	R	94.2	Very high	84.9	Confident	55 Å²	55	55 Å²	55	21%	0.208	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.7	165.7	-59.1	-170	-62.1	169.2	2.4	108.2	V961 I962 D963 V964 F996 F1027 H1096	V961-R994 HydrophobicContact CG1-CG 4.26Å; I962-R994 PolarHBondContact O-N 2.86Å; D963-R994 CarbonylContact C-O 3.58Å; D963-R994 WeakPolarHBondContact CA-O 3.36Å; D963-R994 IonicContact OD1-CZ 3.59Å; D963-R994 VanDerWaalsContact OD1-CZ 3.28Å; D963-R994 IonicContact OD1-NE 2.74Å; D963-R994 PolarHBondContact OD1-NE 2.9Å; D963-R994 IonicContact OD1-NH2 2.88Å; D963-R994 PolarHBondContact OD1-NH2 3.16Å; D963-R994 IonicContact OD2-CZ 3.48Å; D963-R994 IonicContact OD2-NE 3.87Å; D963-R994 IonicContact OD2-NH2 2.61Å; D963-R994 PolarHBondContact OD2-NH2 2.95Å; V964-R994 PolarHBondContact N-O 3.35Å; R994-F996 HydrophobicContact CB-CE2 3.87Å; R994-F996 HydrophobicContact CB-CZ 4.42Å; R994-F1027 HydrophobicContact CB-CE2 4.3Å; R994-H1096 PolarHBondContact NH2-O 3.15Å
995	I	92.8	Very high	84.8	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	133.9	-176.3	-59.4	-178.1	0	0	0	109.8	V964 L975 F1016 V1023 D1025 V1026 F1027	V964-I995 HydrophobicContact CB-CG1 4.3Å; V964-I995 CarbonylContact O-C 3.56Å; V964-I995 WeakPolarHBondContact O-CA 3.46Å; L975-I995 HydrophobicContact CD1-CD1 3.59Å; I995-F1016 HydrophobicContact CB-CE2 4.41Å; I995-F1016 HydrophobicContact CB-CZ 4.45Å; I995-F1016 HydrophobicContact CD1-CD1 4.01Å; I995-F1016 HydrophobicContact CD1-CD2 4.06Å; I995-F1016 HydrophobicContact CD1-CE1 3.54Å; I995-F1016 HydrophobicContact CD1-CE2 3.61Å; I995-F1016 HydrophobicContact CD1-CG 4.28Å; I995-F1016 HydrophobicContact CD1-CZ 3.35Å; I995-F1016 HydrophobicContact CG1-CZ 4.46Å; I995-F1016 HydrophobicContact CG2-CE2 4.26Å; I995-F1016 HydrophobicContact CG2-CZ 3.95Å; I995-V1023 HydrophobicContact CB-CG1 4.33Å; I995-V1023 HydrophobicContact CD1-CB 4.34Å; I995-V1023 HydrophobicContact CD1-CG1 3.8Å; I995-V1023 HydrophobicContact CD1-CG2 3.54Å; I995-V1023 HydrophobicContact CG1-CG1 3.78Å; I995-V1023 HydrophobicContact CG1-CG2 4.35Å; I995-D1025 PolarHBondContact N-O 3.17Å; I995-V1026 CarbonylContact O-C 3.52Å; I995-V1026 WeakPolarHBondContact O-CA 3.49Å; I995-F1027 PolarHBondContact O-N 3.45Å
996	F	92.5	Very high	85	Confident	1 Å²	1	48.5 Å²	48.5	0%	0.004	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.9	179.3	-60.8	-96.2	0	0	0	108.8	D963 V964 W965 W966 R994 F1027 I1029 H1096	D963-F996 HydrophobicContact CB-CD2 4.29Å; D963-F996 HydrophobicContact CB-CE2 3.86Å; V964-F996 PolarHBondContact O-N 2.97Å; W965-F996 CarbonylContact C-O 3.24Å; W965-F996 WeakPolarHBondContact CA-O 3.34Å; W965-F996 HydrophobicContact CD2-CB 3.72Å; W965-F996 HydrophobicContact CD2-CG 4.17Å; W965-F996 AromaticContact CE2-CD2 3.93Å; W965-F996 AromaticContact CE2-CG 3.72Å; W965-F996 HydrophobicContact CE3-CB 4Å; W965-F996 HydrophobicContact CG-CB 4.07Å; W965-F996 HydrophobicContact CH2-CB 4.39Å; W965-F996 HydrophobicContact CH2-CD1 4.18Å; W965-F996 HydrophobicContact CH2-CG 4.38Å; W965-F996 HydrophobicContact CZ2-CB 4.16Å; W965-F996 AromaticContact CZ2-CD1 3.82Å; W965-F996 HydrophobicContact CZ2-CD1 3.82Å; W965-F996 HydrophobicContact CZ2-CD2 4.3Å; W965-F996 HydrophobicContact CZ2-CE1 4.29Å; W965-F996 AromaticContact CZ2-CG 3.83Å; W965-F996 HydrophobicContact CZ2-CG 3.83Å; W965-F996 HydrophobicContact CZ3-CB 4.34Å; W965-F996 AromaticContact NE1-CD2 3.69Å; W965-F996 AromaticContact NE1-CG 3.99Å; W966-F996 PolarHBondContact N-O 3.1Å; R994-F996 HydrophobicContact CB-CE2 3.87Å; R994-F996 HydrophobicContact CB-CZ 4.42Å; F996-F1027 WeakPolarHBondContact CA-O 3.29Å; F996-F1027 HydrophobicContact CD1-CB 3.57Å; F996-F1027 AromaticContact CD1-CD2 3.87Å; F996-F1027 HydrophobicContact CD1-CD2 3.87Å; F996-F1027 AromaticContact CD1-CG 3.95Å; F996-F1027 HydrophobicContact CD1-CG 3.95Å; F996-F1027 HydrophobicContact CE1-CB 3.85Å; F996-F1027 AromaticContact CE1-CD2 3.4Å; F996-F1027 HydrophobicContact CE1-CD2 3.4Å; F996-F1027 HydrophobicContact CE1-CE2 4.06Å; F996-F1027 AromaticContact CE1-CG 3.67Å; F996-F1027 HydrophobicContact CE1-CG 3.67Å; F996-F1027 HydrophobicContact CE2-CD2 4.18Å; F996-F1027 HydrophobicContact CG-CB 4.32Å; F996-F1027 HydrophobicContact CG-CD2 4.42Å; F996-F1027 AromaticContact CZ-CD2 3.58Å; F996-F1027 HydrophobicContact CZ-CD2 3.58Å; F996-F1027 AromaticContact CZ-CE2 3.89Å; F996-F1027 HydrophobicContact CZ-CE2 3.89Å; F996-F1027 HydrophobicContact CZ-CG 4.32Å; F996-I1029 HydrophobicContact CD1-CD1 4.34Å; F996-H1096 HydrophobicContact CE1-CB 3.68Å; F996-H1096 HydrophobicContact CZ-CB 3.98Å
997	T	89	Confident	85	Confident	1 Å²	1	53.5 Å²	53.5	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	158.4	178.3	-178.7	0	0	0	0	110.6	L1012 F1027 V1028 I1029	T997-L1012 HydrophobicContact CG2-CD1 3.62Å; T997-F1027 PolarHBondContact N-O 2.98Å; T997-V1028 HydrophobicContact CG2-CB 4.14Å; T997-V1028 HydrophobicContact CG2-CG1 4.17Å; T997-V1028 HydrophobicContact CG2-CG2 3.67Å; T997-I1029 PolarHBondContact O-N 2.98Å
998	S	84.6	Confident	84.7	Confident	28 Å²	28	54 Å²	54	20%	0.196	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	143.2	165.5	-165.8	0	0	0	0	110.7	Q1008	S998-Q1008 PolarHBondContact O-NE2 2.73Å
999	A	78.3	Confident	84.7	Confident	11 Å²	11	58.3 Å²	58.3	9%	0.091	31%	0.311	C	S	.	.			trans	-67	138.3	157.3	0	0	0	0	0	109.2	A1005 V1028 I1029 P1030	A999-A1005 HydrophobicContact CB-CB 4.25Å; A999-V1028 HydrophobicContact CB-CG1 3.79Å; A999-I1029 PolarHBondContact N-O 3.41Å; A999-P1030 HydrophobicContact CB-CB 4.46Å
1000	T	71.5	Confident	84.6	Confident	100 Å²	100	59 Å²	59	61%	0.613	32%	0.32	S	S	*	.	S	Bend	trans	-84	-29.4	170.9	-47	0	0	0	0	111.2	S82 Q1008	S82-T1000 WeakPolarHBondContact CB-OG1 3.34Å; S82-T1000 PolarHBondContact OG-OG1 3.46Å; T1000-Q1008 PolarHBondContact OG1-NE2 3.49Å
1001	D	73.6	Confident	84.5	Confident	50 Å²	50	59.8 Å²	59.8	27%	0.267	31%	0.307	S	S	.	.	S	Bend	trans	-144.2	116.7	176	179.6	-9.3	0	0	0	105.7	E1003 K1004 A1005	D1001-E1003 PolarHBondContact O-N 3.04Å; D1001-E1003 PolarHBondContact OD1-N 2.8Å; D1001-K1004 HydrophobicContact CB-CB 4.27Å; D1001-K1004 HydrophobicContact CB-CD 4.43Å; D1001-K1004 HydrophobicContact CB-CG 4.32Å; D1001-K1004 PolarHBondContact O-N 3.07Å; D1001-K1004 IonicContact OD2-NZ 2.87Å; D1001-K1004 PolarHBondContact OD2-NZ 2.79Å; D1001-A1005 PolarHBondContact O-N 3.49Å
1002	P	74.5	Confident	84.2	Confident	85 Å²	85	59.6 Å²	59.6	55%	0.552	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-62.3	-24.7	-173.9	25.6	-34.5	0	0	0	112.8	K1004 P1030	P1002-K1004 VanDerWaalsContact C-N 3.26Å; P1002-K1004 PolarHBondContact O-N 3.29Å; P1002-P1030 HydrophobicContact CB-CB 3.83Å
1003	E	76.8	Confident	83.9	Confident	182 Å²	182	56.4 Å²	56.4	85%	0.85	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-72.5	-18.8	175.4	-60.9	-170.5	169.4	0	0	112.9	D1001	D1001-E1003 PolarHBondContact O-N 3.04Å; D1001-E1003 PolarHBondContact OD1-N 2.8Å
1004	K	79.1	Confident	83.5	Confident	108 Å²	108	60.4 Å²	60.4	47%	0.47	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-109.8	13.1	-177.3	-59.4	-173.5	-176.6	110.5	0	114	D1001 P1002 D1006 E1007 Q1008	D1001-K1004 HydrophobicContact CB-CB 4.27Å; D1001-K1004 HydrophobicContact CB-CD 4.43Å; D1001-K1004 HydrophobicContact CB-CG 4.32Å; D1001-K1004 PolarHBondContact O-N 3.07Å; D1001-K1004 IonicContact OD2-NZ 2.87Å; D1001-K1004 PolarHBondContact OD2-NZ 2.79Å; P1002-K1004 VanDerWaalsContact C-N 3.26Å; P1002-K1004 PolarHBondContact O-N 3.29Å; K1004-D1006 VanDerWaalsContact C-N 3.29Å; K1004-D1006 PolarHBondContact O-N 3.11Å; K1004-E1007 WeakPolarHBondContact O-CB 3.45Å; K1004-E1007 PolarHBondContact O-N 2.98Å; K1004-E1007 VanDerWaalsContact O-N 3.09Å; K1004-Q1008 PolarHBondContact O-N 3.14Å
1005	A	80.1	Confident	83	Confident	16 Å²	16	57.9 Å²	57.9	13%	0.132	31%	0.311	C	S	.	.	H	α-helix	trans	-56.8	-38.8	-175.8	0	0	0	0	0	113.4	A999 D1001 K1009 V1028	A999-A1005 HydrophobicContact CB-CB 4.25Å; D1001-A1005 PolarHBondContact O-N 3.49Å; A1005-K1009 VanDerWaalsContact O-CB 3.31Å; A1005-K1009 WeakPolarHBondContact O-CB 3.28Å; A1005-K1009 PolarHBondContact O-N 3.45Å; A1005-V1028 HydrophobicContact CB-CB 4.32Å; A1005-V1028 HydrophobicContact CB-CG1 3.85Å
1006	D	83.9	Confident	82.7	Confident	122 Å²	122	58 Å²	58	65%	0.652	31%	0.312	S	S	*	.	H	α-helix	trans	-72.7	-31.3	177.6	-77.5	-40	0	0	0	113.4	K1004 T1010	K1004-D1006 VanDerWaalsContact C-N 3.29Å; K1004-D1006 PolarHBondContact O-N 3.11Å; D1006-T1010 PolarHBondContact O-N 2.75Å; D1006-T1010 PolarHBondContact O-OG1 2.52Å
1007	E	84.2	Confident	82.3	Confident	107 Å²	107	61.1 Å²	61.1	50%	0.5	34%	0.338	S	S	.	.	H	α-helix	trans	-68	-50	173.2	-166.7	-169.2	161.7	0	0	109.9	K1004 K1009 T1010 Q1011	K1004-E1007 WeakPolarHBondContact O-CB 3.45Å; K1004-E1007 PolarHBondContact O-N 2.98Å; K1004-E1007 VanDerWaalsContact O-N 3.09Å; E1007-K1009 VanDerWaalsContact C-N 3.27Å; E1007-K1009 PolarHBondContact O-N 2.86Å; E1007-T1010 WeakPolarHBondContact O-CB 3.15Å; E1007-T1010 PolarHBondContact O-N 3.45Å; E1007-Q1011 WeakPolarHBondContact O-CG 3.33Å; E1007-Q1011 PolarHBondContact O-N 3.13Å; E1007-Q1011 PolarHBondContact OE1-NE2 3.3Å
1008	Q	83.2	Confident	82.1	Confident	16 Å²	16	65.7 Å²	65.7	8%	0.075	36%	0.36	C	S	.	.	H	α-helix	trans	-59.3	-37.8	177.3	-171.4	175.7	2.9	0	0	112	S998 T1000 K1004 T1010 L1012	S998-Q1008 PolarHBondContact O-NE2 2.73Å; T1000-Q1008 PolarHBondContact OG1-NE2 3.49Å; K1004-Q1008 PolarHBondContact O-N 3.14Å; Q1008-T1010 VanDerWaalsContact C-N 3.32Å; Q1008-T1010 PolarHBondContact O-N 2.91Å; Q1008-L1012 HydrophobicContact CG-CD1 4.21Å; Q1008-L1012 WeakPolarHBondContact O-CB 3.36Å; Q1008-L1012 WeakPolarHBondContact O-CG 3.24Å; Q1008-L1012 PolarHBondContact O-N 2.7Å
1009	K	87.6	Confident	81.9	Confident	89 Å²	89	65.7 Å²	65.7	39%	0.387	36%	0.357	S	S	.	.	H	α-helix	trans	-59.8	-41.8	173.5	-176.8	178.2	172.9	-177.4	0	112.3	A1005 E1007 A1013 V1026 V1028	A1005-K1009 VanDerWaalsContact O-CB 3.31Å; A1005-K1009 WeakPolarHBondContact O-CB 3.28Å; A1005-K1009 PolarHBondContact O-N 3.45Å; E1007-K1009 VanDerWaalsContact C-N 3.27Å; E1007-K1009 PolarHBondContact O-N 2.86Å; K1009-A1013 PolarHBondContact O-N 3.21Å; K1009-V1026 WeakPolarHBondContact CE-O 3.4Å; K1009-V1026 HydrophobicContact CG-CB 4.48Å; K1009-V1026 HydrophobicContact CG-CG1 4.43Å; K1009-V1028 HydrophobicContact CB-CG2 3.6Å; K1009-V1028 HydrophobicContact CG-CG2 4.24Å
1010	T	87	Confident	82.2	Confident	82 Å²	82	75.7 Å²	75.7	50%	0.503	39%	0.392	S	S	.	.	H	α-helix	trans	-69.6	-49	179.6	-53.4	0	0	0	0	110.5	D1006 E1007 Q1008 L1012 A1013 D1014	D1006-T1010 PolarHBondContact O-N 2.75Å; D1006-T1010 PolarHBondContact O-OG1 2.52Å; E1007-T1010 WeakPolarHBondContact O-CB 3.15Å; E1007-T1010 PolarHBondContact O-N 3.45Å; Q1008-T1010 VanDerWaalsContact C-N 3.32Å; Q1008-T1010 PolarHBondContact O-N 2.91Å; T1010-L1012 VanDerWaalsContact C-N 3.27Å; T1010-L1012 PolarHBondContact O-N 3.17Å; T1010-A1013 WeakPolarHBondContact O-CB 3.28Å; T1010-A1013 PolarHBondContact O-N 3.03Å; T1010-A1013 VanDerWaalsContact O-N 3.08Å; T1010-D1014 PolarHBondContact O-N 3.47Å
1011	Q	84.6	Confident	82.8	Confident	76 Å²	76	71.4 Å²	71.4	36%	0.355	37%	0.365	S	S	.	.	H	α-helix	trans	-56.1	-39.4	176.3	-66.5	173.3	3.9	0	0	112.7	E1007 L1015	E1007-Q1011 WeakPolarHBondContact O-CG 3.33Å; E1007-Q1011 PolarHBondContact O-N 3.13Å; E1007-Q1011 PolarHBondContact OE1-NE2 3.3Å; Q1011-L1015 PolarHBondContact O-N 3.44Å
1012	L	84.7	Confident	83.3	Confident	7 Å²	7	76.1 Å²	76.1	4%	0.037	39%	0.391	C	S	.	.	H	α-helix	trans	-72.1	-38	176.3	-73.3	169.2	0	0	0	112.8	P83 W966 T997 Q1008 T1010 D1014 L1015 F1016 V1026	P83-L1012 HydrophobicContact CB-CD2 4.3Å; W966-L1012 HydrophobicContact CZ3-CD2 4.33Å; T997-L1012 HydrophobicContact CG2-CD1 3.62Å; Q1008-L1012 HydrophobicContact CG-CD1 4.21Å; Q1008-L1012 WeakPolarHBondContact O-CB 3.36Å; Q1008-L1012 WeakPolarHBondContact O-CG 3.24Å; Q1008-L1012 PolarHBondContact O-N 2.7Å; T1010-L1012 VanDerWaalsContact C-N 3.27Å; T1010-L1012 PolarHBondContact O-N 3.17Å; L1012-D1014 VanDerWaalsContact C-N 3.31Å; L1012-D1014 PolarHBondContact O-N 3.44Å; L1012-L1015 HydrophobicContact CD2-CD2 4.27Å; L1012-L1015 WeakPolarHBondContact O-CB 3.4Å; L1012-L1015 PolarHBondContact O-N 3Å; L1012-F1016 HydrophobicContact CB-CE2 3.99Å; L1012-F1016 WeakPolarHBondContact O-CD2 3.39Å; L1012-F1016 WeakPolarHBondContact O-CE2 3.4Å; L1012-F1016 WeakPolarHBondContact O-CG 3.46Å; L1012-F1016 PolarHBondContact O-N 3.36Å; L1012-V1026 HydrophobicContact CB-CG1 4.36Å
1013	A	86.2	Confident	83.9	Confident	44 Å²	44	73.3 Å²	73.3	36%	0.364	37%	0.372	S	S	.	.	H	α-helix	trans	-60.1	-43	173.8	0	0	0	0	0	111.4	K1009 T1010 F1016 A1017	K1009-A1013 PolarHBondContact O-N 3.21Å; T1010-A1013 WeakPolarHBondContact O-CB 3.28Å; T1010-A1013 PolarHBondContact O-N 3.03Å; T1010-A1013 VanDerWaalsContact O-N 3.08Å; A1013-F1016 PolarHBondContact O-N 2.81Å; A1013-A1017 PolarHBondContact O-N 3.46Å
1014	D	85.2	Confident	84.5	Confident	87 Å²	87	69.9 Å²	69.9	47%	0.465	35%	0.354	S	S	.	.	H	α-helix	trans	-62.2	-43.1	174.4	-69.2	-27.6	0	0	0	111.7	T1010 L1012 F1016 A1017 M1018	T1010-D1014 PolarHBondContact O-N 3.47Å; L1012-D1014 VanDerWaalsContact C-N 3.31Å; L1012-D1014 PolarHBondContact O-N 3.44Å; D1014-F1016 PolarHBondContact O-N 2.89Å; D1014-A1017 WeakPolarHBondContact O-CB 3.5Å; D1014-A1017 PolarHBondContact O-N 3.13Å; D1014-M1018 VanDerWaalsContact O-CG 3.31Å; D1014-M1018 WeakPolarHBondContact O-CG 3.39Å; D1014-M1018 PolarHBondContact O-N 3.01Å
1015	L	84.3	Confident	84.9	Confident	3 Å²	3	67 Å²	67	2%	0.016	34%	0.344	C	S	.	.	H	α-helix	trans	-59.5	-42.2	175.5	-176.7	63.8	0	0	0	112.5	A85 W966 Q1011 L1012 M1018 F1019 Y1147	A85-L1015 HydrophobicContact CB-CD1 4.23Å; W966-L1015 HydrophobicContact CH2-CD2 4.34Å; W966-L1015 HydrophobicContact CZ3-CD2 4.41Å; Q1011-L1015 PolarHBondContact O-N 3.44Å; L1012-L1015 HydrophobicContact CD2-CD2 4.27Å; L1012-L1015 WeakPolarHBondContact O-CB 3.4Å; L1012-L1015 PolarHBondContact O-N 3Å; L1015-M1018 PolarHBondContact O-N 3.15Å; L1015-F1019 HydrophobicContact CD1-CD2 4.4Å; L1015-F1019 HydrophobicContact CD1-CE1 4.32Å; L1015-F1019 HydrophobicContact CD1-CE2 3.74Å; L1015-F1019 HydrophobicContact CD1-CZ 3.68Å; L1015-F1019 HydrophobicContact CD2-CE2 4.06Å; L1015-F1019 HydrophobicContact CG-CD2 4.12Å; L1015-F1019 HydrophobicContact CG-CE2 3.6Å; L1015-F1019 HydrophobicContact CG-CZ 4.08Å; L1015-F1019 WeakPolarHBondContact O-CD2 3.4Å; L1015-F1019 WeakPolarHBondContact O-CG 3.45Å; L1015-F1019 PolarHBondContact O-N 3.41Å; L1015-Y1147 HydrophobicContact CD1-CD1 4.15Å; L1015-Y1147 HydrophobicContact CD1-CE1 3.72Å
1016	F	86.6	Confident	85.3	Confident	3 Å²	3	67 Å²	67	1%	0.013	34%	0.343	C	S	.	.	H	α-helix	trans	-68.6	-35.6	176.2	-58.9	-49.4	0	0	0	112.5	W966 L975 I995 L1012 A1013 D1014 F1019 R1020 I1021 V1023 V1026	W966-F1016 HydrophobicContact CE3-CE1 4.16Å; W966-F1016 HydrophobicContact CE3-CZ 4.03Å; W966-F1016 AromaticContact CZ3-CE1 3.76Å; W966-F1016 HydrophobicContact CZ3-CE1 3.76Å; W966-F1016 AromaticContact CZ3-CZ 3.91Å; W966-F1016 HydrophobicContact CZ3-CZ 3.91Å; L975-F1016 HydrophobicContact CD1-CD1 4.44Å; L975-F1016 HydrophobicContact CD1-CE1 4Å; L975-F1016 HydrophobicContact CD2-CD1 3.93Å; L975-F1016 HydrophobicContact CD2-CE1 3.65Å; L975-F1016 HydrophobicContact CG-CE1 4.49Å; I995-F1016 HydrophobicContact CB-CE2 4.41Å; I995-F1016 HydrophobicContact CB-CZ 4.45Å; I995-F1016 HydrophobicContact CD1-CD1 4.01Å; I995-F1016 HydrophobicContact CD1-CD2 4.06Å; I995-F1016 HydrophobicContact CD1-CE1 3.54Å; I995-F1016 HydrophobicContact CD1-CE2 3.61Å; I995-F1016 HydrophobicContact CD1-CG 4.28Å; I995-F1016 HydrophobicContact CD1-CZ 3.35Å; I995-F1016 HydrophobicContact CG1-CZ 4.46Å; I995-F1016 HydrophobicContact CG2-CE2 4.26Å; I995-F1016 HydrophobicContact CG2-CZ 3.95Å; L1012-F1016 HydrophobicContact CB-CE2 3.99Å; L1012-F1016 WeakPolarHBondContact O-CD2 3.39Å; L1012-F1016 WeakPolarHBondContact O-CE2 3.4Å; L1012-F1016 WeakPolarHBondContact O-CG 3.46Å; L1012-F1016 PolarHBondContact O-N 3.36Å; A1013-F1016 PolarHBondContact O-N 2.81Å; D1014-F1016 PolarHBondContact O-N 2.89Å; F1016-F1019 CarbonylContact O-C 3.53Å; F1016-F1019 PolarHBondContact O-N 3.06Å; F1016-R1020 PolarHBondContact O-N 3.03Å; F1016-I1021 PolarHBondContact O-N 3.42Å; F1016-V1023 HydrophobicContact CB-CG2 3.86Å; F1016-V1023 HydrophobicContact CD1-CG2 4.26Å; F1016-V1023 HydrophobicContact CD2-CB 4.43Å; F1016-V1023 HydrophobicContact CD2-CG2 4.01Å; F1016-V1023 HydrophobicContact CG-CG2 3.77Å; F1016-V1026 HydrophobicContact CD2-CG2 3.85Å; F1016-V1026 HydrophobicContact CE2-CG1 4.46Å; F1016-V1026 HydrophobicContact CE2-CG2 3.76Å
1017	A	84.4	Confident	85.6	Confident	67 Å²	67	64.7 Å²	64.7	55%	0.554	33%	0.326	S	S	*	.	H	α-helix	trans	-63.5	-42.2	172.4	0	0	0	0	0	111.8	A1013 D1014 F1019 R1020	A1013-A1017 PolarHBondContact O-N 3.46Å; D1014-A1017 WeakPolarHBondContact O-CB 3.5Å; D1014-A1017 PolarHBondContact O-N 3.13Å; A1017-F1019 PolarHBondContact O-N 3.14Å; A1017-R1020 PolarHBondContact O-N 3.24Å
1018	M	82.8	Confident	85.8	Confident	96 Å²	96	60.7 Å²	60.7	47%	0.473	31%	0.309	S	S	.	.	H	α-helix	trans	-62.1	-40.5	173.7	-68.5	174.2	-169.8	0	0	112.2	D1014 L1015 R1020 Y1147	D1014-M1018 VanDerWaalsContact O-CG 3.31Å; D1014-M1018 WeakPolarHBondContact O-CG 3.39Å; D1014-M1018 PolarHBondContact O-N 3.01Å; L1015-M1018 PolarHBondContact O-N 3.15Å; M1018-R1020 PolarHBondContact O-N 3Å; M1018-Y1147 HydrophobicContact CB-CD2 4.26Å; M1018-Y1147 HydrophobicContact CB-CG 4.18Å; M1018-Y1147 HydrophobicContact CG-CD2 4.42Å; M1018-Y1147 HydrophobicContact SD-CD2 3.77Å; M1018-Y1147 HydrophobicContact SD-CE1 4.47Å; M1018-Y1147 HydrophobicContact SD-CE2 3.45Å; M1018-Y1147 WeakPolarHBondContact SD-CE2 3.48Å; M1018-Y1147 HydrophobicContact SD-CG 4.4Å
1019	F	81.6	Confident	85.9	Confident	28 Å²	28	60.5 Å²	60.5	12%	0.123	31%	0.309	C	S	.	.	H	α-helix	trans	-72.2	-11	172.3	-66.2	-36.3	0	0	0	114.4	Y88 L975 L1015 F1016 A1017 I1021 L1145 Y1147	Y88-F1019 HydrophobicContact CD1-CE1 4.35Å; Y88-F1019 AromaticContact CD1-CZ 3.63Å; Y88-F1019 HydrophobicContact CD1-CZ 3.63Å; Y88-F1019 HydrophobicContact CD2-CZ 4.49Å; Y88-F1019 HydrophobicContact CE1-CZ 4.38Å; Y88-F1019 HydrophobicContact CG-CE1 4.49Å; Y88-F1019 AromaticContact CG-CZ 3.7Å; Y88-F1019 HydrophobicContact CG-CZ 3.7Å; L975-F1019 HydrophobicContact CD2-CD2 4.17Å; L975-F1019 HydrophobicContact CD2-CE2 4.34Å; L1015-F1019 HydrophobicContact CD1-CD2 4.4Å; L1015-F1019 HydrophobicContact CD1-CE1 4.32Å; L1015-F1019 HydrophobicContact CD1-CE2 3.74Å; L1015-F1019 HydrophobicContact CD1-CZ 3.68Å; L1015-F1019 HydrophobicContact CD2-CE2 4.06Å; L1015-F1019 HydrophobicContact CG-CD2 4.12Å; L1015-F1019 HydrophobicContact CG-CE2 3.6Å; L1015-F1019 HydrophobicContact CG-CZ 4.08Å; L1015-F1019 WeakPolarHBondContact O-CD2 3.4Å; L1015-F1019 WeakPolarHBondContact O-CG 3.45Å; L1015-F1019 PolarHBondContact O-N 3.41Å; F1016-F1019 CarbonylContact O-C 3.53Å; F1016-F1019 PolarHBondContact O-N 3.06Å; A1017-F1019 PolarHBondContact O-N 3.14Å; F1019-I1021 VanDerWaalsContact C-N 3.28Å; F1019-I1021 HydrophobicContact CB-CD1 3.91Å; F1019-I1021 HydrophobicContact CB-CG1 3.95Å; F1019-I1021 HydrophobicContact CD2-CD1 4.47Å; F1019-I1021 PolarHBondContact O-N 2.66Å; F1019-L1145 HydrophobicContact CD1-CB 4.3Å; F1019-L1145 HydrophobicContact CD2-CD1 4.33Å; F1019-L1145 HydrophobicContact CE1-CB 3.86Å; F1019-L1145 HydrophobicContact CE2-CD1 4.3Å; F1019-L1145 HydrophobicContact CZ-CB 3.98Å; F1019-Y1147 HydrophobicContact CD1-CD1 4.47Å; F1019-Y1147 AromaticContact CE1-CD1 3.87Å; F1019-Y1147 HydrophobicContact CE1-CD1 3.87Å; F1019-Y1147 HydrophobicContact CZ-CD1 4.48Å
1020	R	84.6	Confident	85.4	Confident	222 Å²	222	59.3 Å²	59.3	84%	0.838	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	38.6	-173.8	-52.8	179.6	179.8	-177.7	-1.8	113	F1016 A1017 M1018	F1016-R1020 PolarHBondContact O-N 3.03Å; A1017-R1020 PolarHBondContact O-N 3.24Å; M1018-R1020 PolarHBondContact O-N 3Å
1021	I	84.4	Confident	84.8	Confident	9 Å²	9	58.4 Å²	58.4	5%	0.046	30%	0.302	C	S	.	.			trans	-97.9	118	173.7	-61.7	174.6	0	0	0	107.5	L975 Y979 L993 F1016 F1019 V1023 L1145	L975-I1021 HydrophobicContact CD2-CD1 3.79Å; L975-I1021 HydrophobicContact CG-CD1 3.97Å; Y979-I1021 HydrophobicContact CD2-CB 4.43Å; Y979-I1021 HydrophobicContact CD2-CG1 4Å; Y979-I1021 HydrophobicContact CD2-CG2 3.93Å; Y979-I1021 HydrophobicContact CE2-CG1 4.17Å; Y979-I1021 HydrophobicContact CG-CD1 4.44Å; Y979-I1021 HydrophobicContact CG-CG1 4.34Å; L993-I1021 HydrophobicContact CD1-CG2 3.87Å; F1016-I1021 PolarHBondContact O-N 3.42Å; F1019-I1021 VanDerWaalsContact C-N 3.28Å; F1019-I1021 HydrophobicContact CB-CD1 3.91Å; F1019-I1021 HydrophobicContact CB-CG1 3.95Å; F1019-I1021 HydrophobicContact CD2-CD1 4.47Å; F1019-I1021 PolarHBondContact O-N 2.66Å; I1021-V1023 HydrophobicContact CB-CG2 4.46Å; I1021-V1023 HydrophobicContact CG2-CG2 3.82Å; I1021-V1023 PolarHBondContact O-N 3.09Å; I1021-L1145 HydrophobicContact CD1-CD1 4.35Å
1022	D	84.3	Confident	84.5	Confident	149 Å²	149	55 Å²	55	80%	0.797	29%	0.286	S	S	*	.			trans	-73.3	94.8	176.7	-174.4	22.9	0	0	0	109.9
1023	V	86.9	Confident	84	Confident	27 Å²	27	61 Å²	61	16%	0.164	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	124.2	177.4	-179.2	0	0	0	0	108.3	I995 F1016 I1021 D1025 V1026	I995-V1023 HydrophobicContact CB-CG1 4.33Å; I995-V1023 HydrophobicContact CD1-CB 4.34Å; I995-V1023 HydrophobicContact CD1-CG1 3.8Å; I995-V1023 HydrophobicContact CD1-CG2 3.54Å; I995-V1023 HydrophobicContact CG1-CG1 3.78Å; I995-V1023 HydrophobicContact CG1-CG2 4.35Å; F1016-V1023 HydrophobicContact CB-CG2 3.86Å; F1016-V1023 HydrophobicContact CD1-CG2 4.26Å; F1016-V1023 HydrophobicContact CD2-CB 4.43Å; F1016-V1023 HydrophobicContact CD2-CG2 4.01Å; F1016-V1023 HydrophobicContact CG-CG2 3.77Å; I1021-V1023 HydrophobicContact CB-CG2 4.46Å; I1021-V1023 HydrophobicContact CG2-CG2 3.82Å; I1021-V1023 PolarHBondContact O-N 3.09Å; V1023-D1025 WeakPolarHBondContact CG1-O 3.47Å; V1023-V1026 HydrophobicContact CG1-CG2 3.92Å
1024	K	87.9	Confident	83.8	Confident	110 Å²	110	66.3 Å²	66.3	48%	0.478	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	-48.5	-177.3	-175.5	-165.3	168.1	-69.3	0	111.7	K992 L993	K992-K1024 HydrophobicContact CB-CD 4.43Å; K992-K1024 HydrophobicContact CD-CD 4.16Å; L993-K1024 WeakPolarHBondContact O-CB 3.48Å; L993-K1024 PolarHBondContact O-N 3.22Å
1025	D	88.3	Confident	83.8	Confident	47 Å²	47	67.8 Å²	67.8	25%	0.251	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	143.2	-176	-44.5	-66.4	0	0	0	109.7	I995 V1023 F1027	I995-D1025 PolarHBondContact N-O 3.17Å; V1023-D1025 WeakPolarHBondContact CG1-O 3.47Å; D1025-F1027 HydrophobicContact CB-CD2 4.24Å; D1025-F1027 HydrophobicContact CB-CE2 3.44Å; D1025-F1027 VanDerWaalsContact CB-CE2 3.44Å; D1025-F1027 HydrophobicContact CB-CZ 3.66Å
1026	V	89.6	Confident	84	Confident	17 Å²	17	68.2 Å²	68.2	10%	0.103	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.6	170.2	-177.9	0	0	0	0	108.6	I995 K1009 L1012 F1016 V1023	I995-V1026 CarbonylContact O-C 3.52Å; I995-V1026 WeakPolarHBondContact O-CA 3.49Å; K1009-V1026 WeakPolarHBondContact CE-O 3.4Å; K1009-V1026 HydrophobicContact CG-CB 4.48Å; K1009-V1026 HydrophobicContact CG-CG1 4.43Å; L1012-V1026 HydrophobicContact CB-CG1 4.36Å; F1016-V1026 HydrophobicContact CD2-CG2 3.85Å; F1016-V1026 HydrophobicContact CE2-CG1 4.46Å; F1016-V1026 HydrophobicContact CE2-CG2 3.76Å; V1023-V1026 HydrophobicContact CG1-CG2 3.92Å
1027	F	89.9	Confident	84.2	Confident	72 Å²	72	73.7 Å²	73.7	32%	0.316	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.1	179.3	-59.5	-83.8	0	0	0	109.5	R994 I995 F996 T997 D1025	R994-F1027 HydrophobicContact CB-CE2 4.3Å; I995-F1027 PolarHBondContact O-N 3.45Å; F996-F1027 WeakPolarHBondContact CA-O 3.29Å; F996-F1027 HydrophobicContact CD1-CB 3.57Å; F996-F1027 AromaticContact CD1-CD2 3.87Å; F996-F1027 HydrophobicContact CD1-CD2 3.87Å; F996-F1027 AromaticContact CD1-CG 3.95Å; F996-F1027 HydrophobicContact CD1-CG 3.95Å; F996-F1027 HydrophobicContact CE1-CB 3.85Å; F996-F1027 AromaticContact CE1-CD2 3.4Å; F996-F1027 HydrophobicContact CE1-CD2 3.4Å; F996-F1027 HydrophobicContact CE1-CE2 4.06Å; F996-F1027 AromaticContact CE1-CG 3.67Å; F996-F1027 HydrophobicContact CE1-CG 3.67Å; F996-F1027 HydrophobicContact CE2-CD2 4.18Å; F996-F1027 HydrophobicContact CG-CB 4.32Å; F996-F1027 HydrophobicContact CG-CD2 4.42Å; F996-F1027 AromaticContact CZ-CD2 3.58Å; F996-F1027 HydrophobicContact CZ-CD2 3.58Å; F996-F1027 AromaticContact CZ-CE2 3.89Å; F996-F1027 HydrophobicContact CZ-CE2 3.89Å; F996-F1027 HydrophobicContact CZ-CG 4.32Å; T997-F1027 PolarHBondContact N-O 2.98Å; D1025-F1027 HydrophobicContact CB-CD2 4.24Å; D1025-F1027 HydrophobicContact CB-CE2 3.44Å; D1025-F1027 VanDerWaalsContact CB-CE2 3.44Å; D1025-F1027 HydrophobicContact CB-CZ 3.66Å
1028	V	86.9	Confident	84.5	Confident	23 Å²	23	77.4 Å²	77.4	14%	0.139	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	121	173.8	-175.9	0	0	0	0	107	T997 A999 A1005 K1009	T997-V1028 HydrophobicContact CG2-CB 4.14Å; T997-V1028 HydrophobicContact CG2-CG1 4.17Å; T997-V1028 HydrophobicContact CG2-CG2 3.67Å; A999-V1028 HydrophobicContact CB-CG1 3.79Å; A1005-V1028 HydrophobicContact CB-CB 4.32Å; A1005-V1028 HydrophobicContact CB-CG1 3.85Å; K1009-V1028 HydrophobicContact CB-CG2 3.6Å; K1009-V1028 HydrophobicContact CG-CG2 4.24Å
1029	I	85.7	Confident	84.9	Confident	12 Å²	12	76.2 Å²	76.2	6%	0.062	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	115.7	-174.2	-56.3	174	0	0	0	108.6	W965 F996 T997 A999 I1032 E1092	W965-I1029 HydrophobicContact CE3-CD1 4.34Å; W965-I1029 HydrophobicContact CH2-CD1 3.41Å; W965-I1029 VanDerWaalsContact CH2-CD1 3.41Å; W965-I1029 HydrophobicContact CZ3-CD1 3.32Å; F996-I1029 HydrophobicContact CD1-CD1 4.34Å; T997-I1029 PolarHBondContact O-N 2.98Å; A999-I1029 PolarHBondContact N-O 3.41Å; I1029-I1032 HydrophobicContact CB-CD1 4.06Å; I1029-I1032 HydrophobicContact CB-CG1 3.99Å; I1029-I1032 HydrophobicContact CG2-CD1 4.25Å; I1029-I1032 HydrophobicContact CG2-CG1 3.66Å; I1029-E1092 HydrophobicContact CD1-CB 4.23Å; I1029-E1092 HydrophobicContact CG2-CG 4.14Å
1030	P	77.1	Confident	85.3	Confident	64 Å²	64	75.6 Å²	75.6	42%	0.416	38%	0.379	S	S	.	.	S	Bend	trans	-77.5	-29.3	-179.6	29.9	-33.6	0	0	0	113.6	A999 P1002 I1032	A999-P1030 HydrophobicContact CB-CB 4.46Å; P1002-P1030 HydrophobicContact CB-CB 3.83Å; P1030-I1032 PolarHBondContact O-N 3.22Å
1031	D	74.7	Confident	85.5	Confident	64 Å²	64	67.3 Å²	67.3	34%	0.342	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-93.5	20.8	-164.9	-81.8	24.5	0	0	0	114.5	L1033 R1034 R1088	D1031-L1033 VanDerWaalsContact C-N 3.33Å; D1031-L1033 PolarHBondContact O-N 2.97Å; D1031-R1034 HydrophobicContact CB-CB 4.45Å; D1031-R1034 VanDerWaalsContact O-CB 3.24Å; D1031-R1034 WeakPolarHBondContact O-CB 3.41Å; D1031-R1034 PolarHBondContact O-N 3.42Å; D1031-R1034 IonicContact OD2-NH1 2.65Å; D1031-R1034 PolarHBondContact OD2-NH1 2.93Å; D1031-R1088 WeakPolarHBondContact O-CG 3.45Å; D1031-R1088 PolarHBondContact O-NE 2.94Å
1032	I	77.7	Confident	85.9	Confident	3 Å²	3	69.5 Å²	69.5	2%	0.015	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-68.6	-29.9	-177.3	-64.9	-169.6	0	0	0	112.8	L967 I1029 P1030 R1034 E1085 R1088 I1089	L967-I1032 HydrophobicContact CD2-CD1 4Å; I1029-I1032 HydrophobicContact CB-CD1 4.06Å; I1029-I1032 HydrophobicContact CB-CG1 3.99Å; I1029-I1032 HydrophobicContact CG2-CD1 4.25Å; I1029-I1032 HydrophobicContact CG2-CG1 3.66Å; P1030-I1032 PolarHBondContact O-N 3.22Å; I1032-R1034 VanDerWaalsContact C-N 3.29Å; I1032-R1034 PolarHBondContact O-N 3.38Å; I1032-E1085 HydrophobicContact CG2-CG 4.08Å; I1032-R1088 WeakPolarHBondContact O-CB 3.28Å; I1032-R1088 VanDerWaalsContact O-CG 3.31Å; I1032-R1088 WeakPolarHBondContact O-CG 3.42Å; I1032-I1089 HydrophobicContact CG2-CD1 4.3Å; I1032-I1089 HydrophobicContact CG2-CG1 3.88Å
1033	L	74.6	Confident	86.2	Confident	134 Å²	134	64.6 Å²	64.6	70%	0.702	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-84.9	0.7	177.2	-63.5	176.2	0	0	0	113.6	D1031	D1031-L1033 VanDerWaalsContact C-N 3.33Å; D1031-L1033 PolarHBondContact O-N 2.97Å
1034	R	82.3	Confident	86.4	Confident	156 Å²	156	63.5 Å²	63.5	59%	0.589	34%	0.336	S	S	*	.	S	Bend	trans	-70.7	144.1	175.8	-172.7	177.3	173.9	165.7	-0.7	110	D1031 I1032 R1088	D1031-R1034 HydrophobicContact CB-CB 4.45Å; D1031-R1034 VanDerWaalsContact O-CB 3.24Å; D1031-R1034 WeakPolarHBondContact O-CB 3.41Å; D1031-R1034 PolarHBondContact O-N 3.42Å; D1031-R1034 IonicContact OD2-NH1 2.65Å; D1031-R1034 PolarHBondContact OD2-NH1 2.93Å; I1032-R1034 VanDerWaalsContact C-N 3.29Å; I1032-R1034 PolarHBondContact O-N 3.38Å; R1034-R1088 WeakPolarHBondContact O-CG 3.35Å
1035	N	84.9	Confident	86.5	Confident	118 Å²	118	61 Å²	61	63%	0.631	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-56.1	135.9	172.5	-72.5	-32	0	0	0	110.8	N1084	N1035-N1084 PolarHBondContact OD1-ND2 3.19Å
1036	P	89.2	Confident	86.6	Confident	11 Å²	11	65.8 Å²	65.8	7%	0.071	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-64.5	164.6	175.2	29.6	-37.9	0	0	0	111.7	M1041 N1084 L1087	P1036-M1041 HydrophobicContact CB-CG 4.43Å; P1036-M1041 HydrophobicContact CG-CG 3.71Å; P1036-M1041 HydrophobicContact CG-SD 3.49Å; P1036-M1041 WeakPolarHBondContact CG-SD 3.13Å; P1036-N1084 HydrophobicContact CG-CB 4.42Å; P1036-L1087 HydrophobicContact CB-CB 3.79Å; P1036-L1087 HydrophobicContact CG-CB 3.94Å; P1036-L1087 HydrophobicContact CG-CD1 4.28Å
1037	Q	90.3	Very high	86.5	Confident	119 Å²	119	66.2 Å²	66.2	56%	0.556	35%	0.35	S	S	*	.	P	Polyproline II helix	trans	-66.2	147.1	175.3	-60.7	179.8	14.2	0	0	111.3	A1039 T1040 M1041 E1091	Q1037-A1039 PolarHBondContact O-N 3.08Å; Q1037-A1039 VanDerWaalsContact O-N 3.14Å; Q1037-T1040 WeakPolarHBondContact O-CB 3.15Å; Q1037-T1040 PolarHBondContact O-N 3.26Å; Q1037-M1041 PolarHBondContact O-N 3.41Å; Q1037-E1091 WeakPolarHBondContact CB-OE1 3.42Å; Q1037-E1091 WeakPolarHBondContact CG-OE1 3.2Å; Q1037-E1091 PolarHBondContact N-OE1 3.23Å
1038	D	90.4	Very high	86.4	Confident	145 Å²	145	62.8 Å²	62.8	78%	0.775	34%	0.335	S	S	*	.	H	α-helix	trans	-57.5	-31.7	179.8	-60	-44.5	0	0	0	112.7	M1041 A1042	D1038-M1041 PolarHBondContact O-N 3.43Å; D1038-A1042 WeakPolarHBondContact O-CB 3.31Å; D1038-A1042 PolarHBondContact O-N 2.89Å
1039	A	91.3	Very high	86.2	Confident	71 Å²	71	66.4 Å²	66.4	59%	0.587	35%	0.353	S	S	*	.	H	α-helix	trans	-65.3	-43	174.7	0	0	0	0	0	112.5	Q1037 A1042 E1043	Q1037-A1039 PolarHBondContact O-N 3.08Å; Q1037-A1039 VanDerWaalsContact O-N 3.14Å; A1039-A1042 PolarHBondContact O-N 3.24Å; A1039-E1043 PolarHBondContact O-N 3.39Å
1040	T	90.8	Very high	85.9	Confident	14 Å²	14	72.9 Å²	72.9	9%	0.086	38%	0.381	C	S	.	.	H	α-helix	trans	-67	-39.1	177	-45.9	0	0	0	0	111	Q1037 E1043 F1044 L1087 E1091 M1126	Q1037-T1040 WeakPolarHBondContact O-CB 3.15Å; Q1037-T1040 PolarHBondContact O-N 3.26Å; T1040-E1043 PolarHBondContact O-N 3.06Å; T1040-F1044 PolarHBondContact O-N 3.49Å; T1040-L1087 HydrophobicContact CG2-CB 4.03Å; T1040-L1087 HydrophobicContact CG2-CD2 4.14Å; T1040-E1091 VanDerWaalsContact CB-OE1 3.27Å; T1040-E1091 WeakPolarHBondContact CB-OE1 3.48Å; T1040-E1091 HydrophobicContact CG2-CG 4.31Å; T1040-E1091 PolarHBondContact OG1-OE1 3.29Å; T1040-M1126 HydrophobicContact CG2-CE 4.05Å
1041	M	89.4	Confident	86.2	Confident	48 Å²	48	70.8 Å²	70.8	24%	0.236	37%	0.366	C	S	.	.	H	α-helix	trans	-64.7	-41.5	173	-71.9	-66.5	-72.8	0	0	112.2	P1036 Q1037 D1038 F1044 N1045 L1087	P1036-M1041 HydrophobicContact CB-CG 4.43Å; P1036-M1041 HydrophobicContact CG-CG 3.71Å; P1036-M1041 HydrophobicContact CG-SD 3.49Å; P1036-M1041 WeakPolarHBondContact CG-SD 3.13Å; Q1037-M1041 PolarHBondContact O-N 3.41Å; D1038-M1041 PolarHBondContact O-N 3.43Å; M1041-F1044 PolarHBondContact O-N 3.02Å; M1041-N1045 WeakPolarHBondContact O-CB 3.48Å; M1041-N1045 VanDerWaalsContact O-CG 3.26Å; M1041-N1045 PolarHBondContact O-N 3.24Å; M1041-N1045 PolarHBondContact O-ND2 2.93Å; M1041-N1045 VanDerWaalsContact O-ND2 3.14Å; M1041-L1087 HydrophobicContact SD-CD1 3.46Å; M1041-L1087 WeakPolarHBondContact SD-CD1 3.49Å
1042	A	91.7	Very high	86.5	Confident	56 Å²	56	71 Å²	71	46%	0.463	36%	0.363	S	S	.	.	H	α-helix	trans	-64.2	-42.5	175.9	0	0	0	0	0	112	D1038 A1039 N1045 Q1046	D1038-A1042 WeakPolarHBondContact O-CB 3.31Å; D1038-A1042 PolarHBondContact O-N 2.89Å; A1039-A1042 PolarHBondContact O-N 3.24Å; A1042-N1045 PolarHBondContact O-N 3.29Å; A1042-Q1046 WeakPolarHBondContact O-CB 3.42Å; A1042-Q1046 PolarHBondContact O-N 2.99Å
1043	E	90.6	Very high	86.1	Confident	46 Å²	46	72.5 Å²	72.5	22%	0.215	37%	0.373	C	S	.	.	H	α-helix	trans	-59.6	-45.8	174.2	-179.4	175.7	-143.4	0	0	111.6	A1039 T1040 L1047 R1090 M1126 K1129	A1039-E1043 PolarHBondContact O-N 3.39Å; T1040-E1043 PolarHBondContact O-N 3.06Å; E1043-L1047 WeakPolarHBondContact O-CB 3.49Å; E1043-L1047 PolarHBondContact O-N 3.19Å; E1043-L1047 VanDerWaalsContact O-N 3.15Å; E1043-R1090 IonicContact OE1-NH2 3.44Å; E1043-R1090 PolarHBondContact OE1-NH2 3.19Å; E1043-R1090 IonicContact OE2-CZ 3.98Å; E1043-R1090 IonicContact OE2-NE 3.69Å; E1043-R1090 PolarHBondContact OE2-NE 3.45Å; E1043-R1090 VanDerWaalsContact OE2-NE 3.15Å; E1043-R1090 IonicContact OE2-NH2 2.72Å; E1043-R1090 PolarHBondContact OE2-NH2 2.87Å; E1043-M1126 HydrophobicContact CB-CE 3.97Å; E1043-M1126 HydrophobicContact CG-CE 3.76Å; E1043-M1126 HydrophobicContact CG-SD 3.94Å; E1043-M1126 WeakPolarHBondContact OE2-CE 3.36Å; E1043-K1129 IonicContact OE1-NZ 2.7Å; E1043-K1129 PolarHBondContact OE1-NZ 2.58Å
1044	F	91.8	Very high	85.3	Confident	3 Å²	3	70.3 Å²	70.3	1%	0.013	37%	0.369	C	S	.	.	H	α-helix	trans	-63.9	-46.1	176.8	173.2	-101.7	0	0	0	112.5	T1040 M1041 Q1046 L1047 M1048 L1076 T1083 L1087 L1119 A1122 M1126	T1040-F1044 PolarHBondContact O-N 3.49Å; M1041-F1044 PolarHBondContact O-N 3.02Å; F1044-Q1046 PolarHBondContact O-N 3.44Å; F1044-L1047 WeakPolarHBondContact O-CB 3.38Å; F1044-L1047 PolarHBondContact O-N 2.97Å; F1044-M1048 HydrophobicContact CD1-CG 4.37Å; F1044-M1048 HydrophobicContact CD2-CG 4.24Å; F1044-M1048 HydrophobicContact CE1-CG 3.87Å; F1044-M1048 HydrophobicContact CE2-CG 3.73Å; F1044-M1048 HydrophobicContact CE2-SD 4.16Å; F1044-M1048 HydrophobicContact CZ-CG 3.51Å; F1044-M1048 HydrophobicContact CZ-SD 4.2Å; F1044-M1048 WeakPolarHBondContact O-CG 3.25Å; F1044-M1048 PolarHBondContact O-N 2.9Å; F1044-L1076 HydrophobicContact CE1-CD1 4.09Å; F1044-L1076 HydrophobicContact CZ-CD1 4.19Å; F1044-T1083 HydrophobicContact CD1-CG2 4.1Å; F1044-T1083 HydrophobicContact CE1-CG2 3.53Å; F1044-T1083 HydrophobicContact CE2-CG2 4Å; F1044-T1083 HydrophobicContact CZ-CG2 3.47Å; F1044-T1083 VanDerWaalsContact CZ-CG2 3.47Å; F1044-L1087 HydrophobicContact CB-CD1 3.92Å; F1044-L1087 HydrophobicContact CB-CD2 3.85Å; F1044-L1087 HydrophobicContact CD1-CD1 4.23Å; F1044-L1087 HydrophobicContact CD2-CD2 4.13Å; F1044-L1087 HydrophobicContact CG-CD1 3.98Å; F1044-L1087 HydrophobicContact CG-CD2 4.13Å; F1044-L1119 HydrophobicContact CE2-CD1 4.31Å; F1044-L1119 HydrophobicContact CZ-CD1 3.78Å; F1044-A1122 HydrophobicContact CD2-CB 4.49Å; F1044-A1122 HydrophobicContact CE2-CB 3.91Å; F1044-M1126 HydrophobicContact CB-CE 4.08Å; F1044-M1126 HydrophobicContact CD2-CG 4.08Å
1045	N	90.2	Very high	83.9	Confident	59 Å²	59	70 Å²	70	32%	0.316	37%	0.374	S	S	.	.	H	α-helix	trans	-60.6	-46.6	178.6	-75.3	-34.1	0	0	0	111.2	M1041 A1042 L1047 M1048 D1049	M1041-N1045 WeakPolarHBondContact O-CB 3.48Å; M1041-N1045 VanDerWaalsContact O-CG 3.26Å; M1041-N1045 PolarHBondContact O-N 3.24Å; M1041-N1045 PolarHBondContact O-ND2 2.93Å; M1041-N1045 VanDerWaalsContact O-ND2 3.14Å; A1042-N1045 PolarHBondContact O-N 3.29Å; N1045-L1047 PolarHBondContact O-N 2.94Å; N1045-M1048 CarbonylContact O-C 3.5Å; N1045-M1048 PolarHBondContact O-N 3.28Å; N1045-D1049 PolarHBondContact O-N 3.25Å
1046	Q	89.4	Confident	82	Confident	147 Å²	147	71.6 Å²	71.6	69%	0.687	38%	0.382	S	S	*	.	H	α-helix	trans	-59.3	-34.6	177.5	-174.2	-177.6	22.1	0	0	112.8	A1042 F1044	A1042-Q1046 WeakPolarHBondContact O-CB 3.42Å; A1042-Q1046 PolarHBondContact O-N 2.99Å; F1044-Q1046 PolarHBondContact O-N 3.44Å
1047	L	87.8	Confident	79.9	Confident	26 Å²	26	76.9 Å²	76.9	14%	0.136	41%	0.41	C	S	.	.	H	α-helix	trans	-70	-43	174.7	178.6	163.7	0	0	0	111.1	W748 E1043 F1044 N1045 A1122 E1125 M1126	W748-L1047 HydrophobicContact CH2-CD2 3.71Å; W748-L1047 HydrophobicContact CH2-CG 4.42Å; W748-L1047 HydrophobicContact CZ2-CD1 4.36Å; W748-L1047 HydrophobicContact CZ2-CD2 4.09Å; W748-L1047 HydrophobicContact CZ2-CG 4.48Å; E1043-L1047 WeakPolarHBondContact O-CB 3.49Å; E1043-L1047 PolarHBondContact O-N 3.19Å; E1043-L1047 VanDerWaalsContact O-N 3.15Å; F1044-L1047 WeakPolarHBondContact O-CB 3.38Å; F1044-L1047 PolarHBondContact O-N 2.97Å; N1045-L1047 PolarHBondContact O-N 2.94Å; L1047-A1122 HydrophobicContact CD2-CB 3.4Å; L1047-A1122 VanDerWaalsContact CD2-CB 3.4Å; L1047-E1125 HydrophobicContact CD1-CB 4.18Å; L1047-E1125 HydrophobicContact CD1-CG 3.79Å; L1047-M1126 HydrophobicContact CD1-SD 4.29Å
1048	M	86.6	Confident	77.6	Confident	0 Å²	0	75.1 Å²	75.1	0%	0	41%	0.411	C	S	.	.	H	α-helix	trans	-73.6	-25.5	179.7	-70.1	-54.4	-59.6	0	0	114.4	F1044 N1045 K1050 F1051 K1052 T1071 L1119 A1122	F1044-M1048 HydrophobicContact CD1-CG 4.37Å; F1044-M1048 HydrophobicContact CD2-CG 4.24Å; F1044-M1048 HydrophobicContact CE1-CG 3.87Å; F1044-M1048 HydrophobicContact CE2-CG 3.73Å; F1044-M1048 HydrophobicContact CE2-SD 4.16Å; F1044-M1048 HydrophobicContact CZ-CG 3.51Å; F1044-M1048 HydrophobicContact CZ-SD 4.2Å; F1044-M1048 WeakPolarHBondContact O-CG 3.25Å; F1044-M1048 PolarHBondContact O-N 2.9Å; N1045-M1048 CarbonylContact O-C 3.5Å; N1045-M1048 PolarHBondContact O-N 3.28Å; M1048-K1050 PolarHBondContact O-N 3.46Å; M1048-F1051 PolarHBondContact O-N 2.7Å; M1048-K1052 PolarHBondContact O-N 3.12Å; M1048-T1071 HydrophobicContact CE-CG2 3.94Å; M1048-T1071 VanDerWaalsContact CE-OG1 3.24Å; M1048-T1071 WeakPolarHBondContact CE-OG1 3.31Å; M1048-L1119 HydrophobicContact CE-CB 4.44Å; M1048-L1119 HydrophobicContact CE-CD1 4.26Å; M1048-L1119 HydrophobicContact SD-CD1 4.44Å; M1048-A1122 HydrophobicContact CG-CB 4.48Å; M1048-A1122 HydrophobicContact SD-CB 3.39Å; M1048-A1122 WeakPolarHBondContact SD-CB 3.46Å
1049	D	83.3	Confident	75.3	Confident	98 Å²	98	75.9 Å²	75.9	52%	0.524	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.6	-174.8	-73	-22.6	0	0	0	114.3	N1045 K1052	N1045-D1049 PolarHBondContact O-N 3.25Å; D1049-K1052 IonicContact OD1-NZ 2.73Å; D1049-K1052 PolarHBondContact OD1-NZ 3.2Å
1050	K	80.6	Confident	72.8	Confident	149 Å²	149	80.6 Å²	80.6	65%	0.648	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-15.5	173.2	-67	-176.1	178.9	-179.3	0	114.4	M1048	M1048-K1050 PolarHBondContact O-N 3.46Å
1051	F	83.1	Confident	70.5	Confident	20 Å²	20	85.6 Å²	85.6	9%	0.088	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.3	6	-166.8	-59.1	-67.8	0	0	0	113.8	W748 M1048 Y1070 T1071 T1118	W748-F1051 HydrophobicContact CE3-CZ 4.43Å; W748-F1051 HydrophobicContact CH2-CE2 4.14Å; W748-F1051 HydrophobicContact CZ3-CD2 4.18Å; W748-F1051 AromaticContact CZ3-CE2 3.65Å; W748-F1051 HydrophobicContact CZ3-CE2 3.65Å; W748-F1051 AromaticContact CZ3-CZ 3.96Å; W748-F1051 HydrophobicContact CZ3-CZ 3.96Å; M1048-F1051 PolarHBondContact O-N 2.7Å; F1051-Y1070 HydrophobicContact CB-CD1 4.49Å; F1051-Y1070 HydrophobicContact CD1-CE1 4.38Å; F1051-T1071 PolarHBondContact O-N 2.91Å; F1051-T1118 HydrophobicContact CB-CG2 3.9Å; F1051-T1118 HydrophobicContact CD1-CG2 3.57Å; F1051-T1118 HydrophobicContact CD2-CG2 4.42Å; F1051-T1118 HydrophobicContact CE1-CG2 4.18Å; F1051-T1118 HydrophobicContact CG-CG2 3.71Å
1052	K	79.9	Confident	68	Low	68 Å²	68	92.5 Å²	92.5	30%	0.296	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	138.7	171.7	-70.5	170.1	-175.4	165.2	0	111	M1048 D1049 T1071	M1048-K1052 PolarHBondContact O-N 3.12Å; D1049-K1052 IonicContact OD1-NZ 2.73Å; D1049-K1052 PolarHBondContact OD1-NZ 3.2Å; K1052-T1071 VanDerWaalsContact CA-O 3.31Å; K1052-T1071 WeakPolarHBondContact CA-O 3.25Å
1053	T	70.3	Confident	65.3	Low	34 Å²	34	97.3 Å²	97.3	21%	0.209	50%	0.495	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	152.4	162	93.4	0	0	0	0	111.4	Y1070 T1071 D1072	T1053-Y1070 HydrophobicContact CG2-CG 3.93Å; T1053-T1071 PolarHBondContact N-O 3.06Å; T1053-T1071 VanDerWaalsContact N-O 3.11Å; T1053-D1072 PolarHBondContact OG1-OD1 2.98Å
1054	S	57.8	Low	62.7	Low	89 Å²	89	99.2 Å²	99.2	62%	0.622	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-98.9	145.8	172	-176.6	0	0	0	0	109.2	N1056	S1054-N1056 PolarHBondContact O-N 3.05Å
1055	E	52.5	Low	60.7	Low	150 Å²	150	101.3 Å²	101.3	70%	0.701	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.7	-11.9	-162	-61.5	-179	129	0	0	117.7	S1058	E1055-S1058 PolarHBondContact O-OG 3.47Å; E1055-S1058 VanDerWaalsContact O-OG 3.05Å
1056	N	45.3	Very low	59.2	Low	150 Å²	150	104.1 Å²	104.1	80%	0.802	56%	0.564	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-6.1	-172.3	-73.2	-39.9	0	0	0	116.6	S1054	S1054-N1056 PolarHBondContact O-N 3.05Å
1057	N	44.8	Very low	58	Low	122 Å²	122	98.4 Å²	98.4	65%	0.652	54%	0.537	S	S	*	.	S	Bend	trans	-101.2	-2.9	179.2	-79.9	-4.9	0	0	0	114.7	L1059 Q1060	N1057-L1059 PolarHBondContact O-N 2.96Å; N1057-Q1060 PolarHBondContact O-N 3.01Å
1058	S	42.8	Very low	57.3	Low	82 Å²	82	100.6 Å²	100.6	57%	0.573	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.3	-13.4	-173.8	49.8	0	0	0	0	115.4	E1055	E1055-S1058 PolarHBondContact O-OG 3.47Å; E1055-S1058 VanDerWaalsContact O-OG 3.05Å
1059	L	41.5	Very low	56.9	Low	162 Å²	162	100.9 Å²	100.9	85%	0.848	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.9	7.2	-179.3	-74.2	167.4	0	0	0	115.1	N1057	N1057-L1059 PolarHBondContact O-N 2.96Å
1060	Q	38.8	Very low	56.8	Low	170 Å²	170	100 Å²	100	79%	0.794	54%	0.543	S	S	*	.	S	Bend	trans	-123.2	9.3	178.8	-71.5	-168.8	-12.6	0	0	115.3	N1057	N1057-Q1060 PolarHBondContact O-N 3.01Å
1061	Q	43	Very low	56.9	Low	119 Å²	119	93 Å²	93	56%	0.556	51%	0.513	S	S	*	.			trans	-102.5	22.5	176.9	-90.3	-173.2	-17.4	0	0	115.1	I1063	Q1061-I1063 PolarHBondContact O-N 2.88Å
1062	E	35.3	Very low	56.8	Low	192 Å²	192	95.2 Å²	95.2	90%	0.897	53%	0.525	S	S	*	.			trans	-70.5	20	170.1	-69.1	-163.8	143.7	0	0	114.5	G1064	E1062-G1064 VanDerWaalsContact C-N 3.29Å; E1062-G1064 PolarHBondContact O-N 2.91Å; E1062-G1064 VanDerWaalsContact O-N 3.07Å
1063	I	35.1	Very low	56.8	Low	158 Å²	158	95.9 Å²	95.9	81%	0.81	53%	0.532	S	S	*	.	S	Bend	trans	-88.6	66.9	178.4	-48	-176.4	0	0	0	110.6	Q1061 G1065	Q1061-I1063 PolarHBondContact O-N 2.88Å; I1063-G1065 PolarHBondContact O-N 3.48Å
1064	G	36.2	Very low	57.2	Low	86 Å²	86	99.3 Å²	99.3	89%	0.887	55%	0.553	S	S	*	*	S	Bend	trans	68.9	22.3	145.5	0	0	0	0	0	120	E1062	E1062-G1064 VanDerWaalsContact C-N 3.29Å; E1062-G1064 PolarHBondContact O-N 2.91Å; E1062-G1064 VanDerWaalsContact O-N 3.07Å
1065	G	50.9	Low	58.3	Low	47 Å²	47	96.3 Å²	96.3	49%	0.485	53%	0.529	S	S	.	.			trans	-128.1	127.9	178.3	0	0	0	0	0	114.4	I1063 F1067	I1063-G1065 PolarHBondContact O-N 3.48Å; G1065-F1067 PolarHBondContact O-N 3.29Å
1066	D	58.4	Low	59.8	Low	118 Å²	118	90.8 Å²	90.8	63%	0.631	50%	0.504	S	S	*	.	S	Bend	trans	-65	-1.6	-178.6	-108	-19.7	0	0	0	115.6
1067	F	65.1	Low	61.5	Low	26 Å²	26	87 Å²	87	11%	0.114	49%	0.494	C	S	.	.			trans	-139.1	118.9	-170.7	-59.9	-83.1	0	0	0	111.9	Q757 F760 Q761 H764 G1065	Q757-F1067 PolarHBondContact NE2-O 3.2Å; Q757-F1067 VanDerWaalsContact NE2-O 3.09Å; F760-F1067 HydrophobicContact CD1-CB 4.48Å; F760-F1067 HydrophobicContact CD1-CD1 4.09Å; F760-F1067 AromaticContact CE1-CD1 3.86Å; F760-F1067 HydrophobicContact CE1-CD1 3.86Å; Q761-F1067 HydrophobicContact CG-CD2 3.7Å; Q761-F1067 HydrophobicContact CG-CE2 3.87Å; Q761-F1067 HydrophobicContact CG-CG 4.41Å; H764-F1067 HydrophobicContact CB-CE1 4.32Å; H764-F1067 HydrophobicContact CB-CZ 4.09Å; H764-F1067 AromaticContact CD2-CD1 3.96Å; H764-F1067 AromaticContact CD2-CE1 3.31Å; H764-F1067 WeakPolarHBondContact CD2-CE1 3.34Å; H764-F1067 AromaticContact CD2-CZ 3.92Å; H764-F1067 AromaticContact CE1-CE1 3.99Å; H764-F1067 AromaticContact CG-CE1 3.64Å; H764-F1067 AromaticContact CG-CZ 3.92Å; H764-F1067 AromaticContact NE2-CE1 3.57Å; G1065-F1067 PolarHBondContact O-N 3.29Å
1068	T	72.2	Confident	63.3	Low	72 Å²	72	85 Å²	85	44%	0.442	49%	0.489	S	S	.	.			trans	-73.8	136.6	170.5	50.5	0	0	0	0	110.9	S1116 A1117	T1068-S1116 WeakPolarHBondContact O-CA 3.48Å; T1068-A1117 PolarHBondContact O-N 3.43Å; T1068-A1117 VanDerWaalsContact O-N 3.08Å
1069	V	78	Confident	65.3	Low	6 Å²	6	82.4 Å²	82.4	4%	0.036	47%	0.468	C	S	.	.			trans	-88.6	-49.5	178	179.3	0	0	0	0	111.3	E753 I756 Q757 T1118	E753-V1069 HydrophobicContact CG-CB 3.94Å; E753-V1069 HydrophobicContact CG-CG1 3.96Å; E753-V1069 HydrophobicContact CG-CG2 3.79Å; I756-V1069 HydrophobicContact CB-CG1 4.22Å; I756-V1069 HydrophobicContact CG2-CG1 3.78Å; Q757-V1069 HydrophobicContact CB-CG2 3.79Å; Q757-V1069 HydrophobicContact CG-CG2 3.91Å; V1069-T1118 HydrophobicContact CG1-CG2 4.11Å; V1069-T1118 WeakPolarHBondContact O-CB 3.28Å; V1069-T1118 WeakPolarHBondContact O-CG2 3.04Å; V1069-T1118 PolarHBondContact O-N 3.1Å; V1069-T1118 PolarHBondContact O-OG1 3.34Å
1070	Y	82.2	Confident	67.4	Low	80 Å²	80	80.7 Å²	80.7	31%	0.314	45%	0.454	S	S	.	.	S	Bend	trans	-77.9	158.8	178.3	-61.9	-83	0	0	0	112.3	E753 F1051 T1053 S1116	E753-Y1070 HydrophobicContact CG-CE2 4.44Å; F1051-Y1070 HydrophobicContact CB-CD1 4.49Å; F1051-Y1070 HydrophobicContact CD1-CE1 4.38Å; T1053-Y1070 HydrophobicContact CG2-CG 3.93Å; Y1070-S1116 WeakPolarHBondContact O-CB 3.47Å
1071	T	81.3	Confident	69.5	Low	1 Å²	1	78.4 Å²	78.4	1%	0.006	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	134.6	-178.6	-54.8	0	0	0	0	110.4	M1048 F1051 K1052 T1053 E1075 L1076 S1116 T1118 L1119	M1048-T1071 HydrophobicContact CE-CG2 3.94Å; M1048-T1071 VanDerWaalsContact CE-OG1 3.24Å; M1048-T1071 WeakPolarHBondContact CE-OG1 3.31Å; F1051-T1071 PolarHBondContact O-N 2.91Å; K1052-T1071 VanDerWaalsContact CA-O 3.31Å; K1052-T1071 WeakPolarHBondContact CA-O 3.25Å; T1053-T1071 PolarHBondContact N-O 3.06Å; T1053-T1071 VanDerWaalsContact N-O 3.11Å; T1071-E1075 HydrophobicContact CG2-CB 4.3Å; T1071-L1076 HydrophobicContact CG2-CD1 4.44Å; T1071-S1116 PolarHBondContact OG1-OG 3.38Å; T1071-T1118 PolarHBondContact OG1-OG1 3.01Å; T1071-T1118 VanDerWaalsContact OG1-OG1 3.06Å; T1071-L1119 HydrophobicContact CG2-CB 4.16Å; T1071-L1119 HydrophobicContact CG2-CD2 4.36Å; T1071-L1119 PolarHBondContact OG1-N 2.96Å
1072	D	80.7	Confident	71.5	Confident	67 Å²	67	74.8 Å²	74.8	36%	0.358	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	153	176.9	-65.4	-13.8	0	0	0	111.1	T1053 V1074 E1075 L1076	T1053-D1072 PolarHBondContact OG1-OD1 2.98Å; D1072-V1074 PolarHBondContact O-N 3.47Å; D1072-E1075 WeakPolarHBondContact O-CA 3.46Å; D1072-E1075 VanDerWaalsContact O-CB 3.31Å; D1072-E1075 WeakPolarHBondContact O-CB 3.2Å; D1072-E1075 PolarHBondContact O-N 3.14Å; D1072-L1076 PolarHBondContact O-N 3.26Å
1073	D	80.2	Confident	74	Confident	83 Å²	83	65.9 Å²	65.9	44%	0.444	39%	0.387	S	S	.	.	H	α-helix	trans	-60.7	-29.1	-178.2	-74.3	-38.4	0	0	0	112.8	L1076 A1077	D1073-L1076 PolarHBondContact O-N 3.26Å; D1073-A1077 WeakPolarHBondContact O-CB 3.41Å; D1073-A1077 PolarHBondContact O-N 2.72Å
1074	V	79	Confident	76.7	Confident	105 Å²	105	59.2 Å²	59.2	64%	0.636	35%	0.353	S	S	*	.	H	α-helix	trans	-65.8	-41.8	172.5	-178.1	0	0	0	0	111.5	D1072 A1077 S1078	D1072-V1074 PolarHBondContact O-N 3.47Å; V1074-A1077 PolarHBondContact O-N 3.49Å; V1074-S1078 WeakPolarHBondContact O-CB 3.38Å; V1074-S1078 PolarHBondContact O-N 3.1Å
1075	E	81.6	Confident	79.1	Confident	26 Å²	26	56.9 Å²	56.9	12%	0.121	32%	0.319	C	S	.	.	H	α-helix	trans	-63.2	-48.6	175.9	-168.3	-161.9	154.6	0	0	109.8	T1071 D1072 A1077 S1078 M1079 V1115 S1116 L1119	T1071-E1075 HydrophobicContact CG2-CB 4.3Å; D1072-E1075 WeakPolarHBondContact O-CA 3.46Å; D1072-E1075 VanDerWaalsContact O-CB 3.31Å; D1072-E1075 WeakPolarHBondContact O-CB 3.2Å; D1072-E1075 PolarHBondContact O-N 3.14Å; E1075-A1077 VanDerWaalsContact C-N 3.31Å; E1075-A1077 PolarHBondContact O-N 3.08Å; E1075-S1078 PolarHBondContact O-N 3.08Å; E1075-S1078 VanDerWaalsContact O-N 3.1Å; E1075-S1078 PolarHBondContact O-OG 3.45Å; E1075-M1079 PolarHBondContact O-N 3.33Å; E1075-V1115 VanDerWaalsContact OE1-CA 3.31Å; E1075-V1115 WeakPolarHBondContact OE1-CA 3.49Å; E1075-S1116 PolarHBondContact OE1-N 2.89Å; E1075-S1116 PolarHBondContact OE1-OG 2.03Å; E1075-S1116 WeakPolarHBondContact OE2-CB 3.2Å; E1075-S1116 PolarHBondContact OE2-OG 3.12Å; E1075-L1119 HydrophobicContact CG-CD2 4.23Å; E1075-L1119 WeakPolarHBondContact OE1-CD2 3.32Å
1076	L	83	Confident	80.9	Confident	35 Å²	35	55.1 Å²	55.1	18%	0.183	30%	0.298	C	S	.	.	H	α-helix	trans	-58.7	-40.9	179	-162.5	76.8	0	0	0	112.1	F1044 T1071 D1072 D1073 K1080 L1119	F1044-L1076 HydrophobicContact CE1-CD1 4.09Å; F1044-L1076 HydrophobicContact CZ-CD1 4.19Å; T1071-L1076 HydrophobicContact CG2-CD1 4.44Å; D1072-L1076 PolarHBondContact O-N 3.26Å; D1073-L1076 PolarHBondContact O-N 3.26Å; L1076-K1080 PolarHBondContact O-N 3.47Å; L1076-K1080 VanDerWaalsContact O-N 3.16Å; L1076-L1119 HydrophobicContact CD1-CD1 4.1Å
1077	A	82.1	Confident	82.5	Confident	71 Å²	71	49.5 Å²	49.5	59%	0.587	27%	0.268	S	S	*	.	H	α-helix	trans	-65.1	-45	174.3	0	0	0	0	0	112	D1073 V1074 E1075 M1079 K1080	D1073-A1077 WeakPolarHBondContact O-CB 3.41Å; D1073-A1077 PolarHBondContact O-N 2.72Å; V1074-A1077 PolarHBondContact O-N 3.49Å; E1075-A1077 VanDerWaalsContact C-N 3.31Å; E1075-A1077 PolarHBondContact O-N 3.08Å; A1077-M1079 VanDerWaalsContact C-N 3.34Å; A1077-M1079 PolarHBondContact O-N 2.85Å; A1077-K1080 WeakPolarHBondContact O-CB 3.44Å; A1077-K1080 PolarHBondContact O-N 2.7Å
1078	S	81.4	Confident	83.7	Confident	79 Å²	79	49.3 Å²	49.3	55%	0.552	27%	0.266	S	S	*	.	H	α-helix	trans	-65.6	-34.7	179.8	78.5	0	0	0	0	113.2	V1074 E1075	V1074-S1078 WeakPolarHBondContact O-CB 3.38Å; V1074-S1078 PolarHBondContact O-N 3.1Å; E1075-S1078 PolarHBondContact O-N 3.08Å; E1075-S1078 VanDerWaalsContact O-N 3.1Å; E1075-S1078 PolarHBondContact O-OG 3.45Å
1079	M	84.7	Confident	84.6	Confident	27 Å²	27	46 Å²	46	13%	0.133	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	10.2	-177.5	-65.5	-62.4	160.1	0	0	113.7	E1075 A1077 L1081 R1082 T1083 A1114 V1115 L1119 W1123	E1075-M1079 PolarHBondContact O-N 3.33Å; A1077-M1079 VanDerWaalsContact C-N 3.34Å; A1077-M1079 PolarHBondContact O-N 2.85Å; M1079-L1081 VanDerWaalsContact C-N 3.34Å; M1079-L1081 PolarHBondContact O-N 3.19Å; M1079-R1082 PolarHBondContact O-N 3.02Å; M1079-T1083 WeakPolarHBondContact O-CB 3.46Å; M1079-T1083 PolarHBondContact O-N 2.95Å; M1079-T1083 PolarHBondContact O-OG1 3.33Å; M1079-A1114 HydrophobicContact CE-CB 4.01Å; M1079-A1114 WeakPolarHBondContact CE-O 3.44Å; M1079-V1115 HydrophobicContact CE-CG2 4.27Å; M1079-V1115 HydrophobicContact SD-CG2 4.39Å; M1079-L1119 HydrophobicContact CB-CD2 4.02Å; M1079-L1119 HydrophobicContact CG-CD2 4.26Å; M1079-W1123 HydrophobicContact CB-CH2 4.39Å; M1079-W1123 HydrophobicContact CB-CZ2 4Å; M1079-W1123 HydrophobicContact CG-CH2 4.44Å; M1079-W1123 HydrophobicContact CG-CZ2 4.5Å; M1079-W1123 HydrophobicContact SD-CH2 4.45Å
1080	K	85.7	Confident	85.3	Confident	127 Å²	127	46 Å²	46	55%	0.552	25%	0.245	S	C	*	.	H	α-helix	trans	-55	-43.7	-176.8	-175.6	176.9	-179.5	177.7	0	113.4	L1076 A1077 T1083 N1084	L1076-K1080 PolarHBondContact O-N 3.47Å; L1076-K1080 VanDerWaalsContact O-N 3.16Å; A1077-K1080 WeakPolarHBondContact O-CB 3.44Å; A1077-K1080 PolarHBondContact O-N 2.7Å; K1080-T1083 PolarHBondContact O-N 3.49Å; K1080-N1084 PolarHBondContact O-N 2.86Å; K1080-N1084 PolarHBondContact O-OD1 2.77Å
1081	L	84.6	Confident	85.8	Confident	121 Å²	121	43.1 Å²	43.1	63%	0.634	23%	0.234	S	C	*	.	H	α-helix	trans	-63.6	-47.9	-179.3	-177.3	64.7	0	0	0	111.8	M1079 T1083 N1084 E1085	M1079-L1081 VanDerWaalsContact C-N 3.34Å; M1079-L1081 PolarHBondContact O-N 3.19Å; L1081-T1083 VanDerWaalsContact C-N 3.32Å; L1081-T1083 PolarHBondContact O-N 3.45Å; L1081-N1084 PolarHBondContact O-N 3.03Å; L1081-E1085 PolarHBondContact O-N 3.26Å
1082	R	84.3	Confident	86.2	Confident	44 Å²	44	43.8 Å²	43.8	17%	0.166	24%	0.237	C	C	.	.	H	α-helix	trans	-63.4	-38.9	176.3	-77.6	-175.3	164.1	-147	-10.9	111.8	S78 M1079 E1085 Q1086 W1123	S78-R1082 PolarHBondContact O-NH2 2.95Å; M1079-R1082 PolarHBondContact O-N 3.02Å; R1082-E1085 WeakPolarHBondContact O-CB 3.39Å; R1082-E1085 PolarHBondContact O-N 3.04Å; R1082-Q1086 WeakPolarHBondContact O-CG 3.48Å; R1082-Q1086 PolarHBondContact O-N 3.06Å; R1082-W1123 HydrophobicContact CB-CH2 4.48Å; R1082-W1123 HydrophobicContact CB-CZ2 4.45Å
1083	T	88.3	Confident	86.8	Confident	5 Å²	5	40.6 Å²	40.6	3%	0.031	22%	0.22	C	C	.	.	H	α-helix	trans	-62	-49.3	176.1	-58.2	0	0	0	0	110.7	F1044 M1079 K1080 L1081 E1085 Q1086 L1087 W1123	F1044-T1083 HydrophobicContact CD1-CG2 4.1Å; F1044-T1083 HydrophobicContact CE1-CG2 3.53Å; F1044-T1083 HydrophobicContact CE2-CG2 4Å; F1044-T1083 HydrophobicContact CZ-CG2 3.47Å; F1044-T1083 VanDerWaalsContact CZ-CG2 3.47Å; M1079-T1083 WeakPolarHBondContact O-CB 3.46Å; M1079-T1083 PolarHBondContact O-N 2.95Å; M1079-T1083 PolarHBondContact O-OG1 3.33Å; K1080-T1083 PolarHBondContact O-N 3.49Å; L1081-T1083 VanDerWaalsContact C-N 3.32Å; L1081-T1083 PolarHBondContact O-N 3.45Å; T1083-E1085 VanDerWaalsContact C-N 3.3Å; T1083-E1085 PolarHBondContact O-N 3.49Å; T1083-Q1086 PolarHBondContact O-N 3.42Å; T1083-L1087 HydrophobicContact CG2-CD1 4.01Å; T1083-L1087 HydrophobicContact CG2-CG 4.44Å; T1083-L1087 VanDerWaalsContact O-CG 3.27Å; T1083-L1087 WeakPolarHBondContact O-CG 3.46Å; T1083-L1087 PolarHBondContact O-N 3.11Å; T1083-W1123 PolarHBondContact OG1-NE1 3Å
1084	N	90.1	Very high	87.3	Confident	17 Å²	17	39 Å²	39	9%	0.091	21%	0.211	C	C	.	.	H	α-helix	trans	-56.9	-43	175.4	-76.5	15.8	0	0	0	112.1	N1035 P1036 K1080 L1081 L1087 R1088	N1035-N1084 PolarHBondContact OD1-ND2 3.19Å; P1036-N1084 HydrophobicContact CG-CB 4.42Å; K1080-N1084 PolarHBondContact O-N 2.86Å; K1080-N1084 PolarHBondContact O-OD1 2.77Å; L1081-N1084 PolarHBondContact O-N 3.03Å; N1084-L1087 PolarHBondContact O-N 3.03Å; N1084-R1088 WeakPolarHBondContact O-CB 3.42Å; N1084-R1088 PolarHBondContact O-N 2.98Å
1085	E	87.5	Confident	87.9	Confident	38 Å²	38	40.6 Å²	40.6	18%	0.178	21%	0.212	C	C	.	.	H	α-helix	trans	-58.7	-50	175.8	-172.4	-170.7	174.5	0	0	111.8	Y968 I1032 L1081 R1082 T1083 L1087 R1088 I1089	Y968-E1085 PolarHBondContact OH-OE1 3.13Å; I1032-E1085 HydrophobicContact CG2-CG 4.08Å; L1081-E1085 PolarHBondContact O-N 3.26Å; R1082-E1085 WeakPolarHBondContact O-CB 3.39Å; R1082-E1085 PolarHBondContact O-N 3.04Å; T1083-E1085 VanDerWaalsContact C-N 3.3Å; T1083-E1085 PolarHBondContact O-N 3.49Å; E1085-L1087 VanDerWaalsContact C-N 3.34Å; E1085-L1087 PolarHBondContact O-N 2.73Å; E1085-R1088 PolarHBondContact O-N 2.87Å; E1085-I1089 HydrophobicContact CG-CD1 4.11Å; E1085-I1089 WeakPolarHBondContact O-CD1 3.42Å; E1085-I1089 VanDerWaalsContact O-CG1 3.27Å; E1085-I1089 WeakPolarHBondContact O-CG1 3.18Å; E1085-I1089 PolarHBondContact O-N 3.14Å
1086	Q	89.3	Confident	88.4	Confident	9 Å²	9	42.4 Å²	42.4	4%	0.042	22%	0.22	C	C	.	.	H	α-helix	trans	-64.7	-36.9	178.9	-58.4	-41	-70.7	0	0	112.5	R1082 T1083 I1089 R1090 W1123 L1127	R1082-Q1086 WeakPolarHBondContact O-CG 3.48Å; R1082-Q1086 PolarHBondContact O-N 3.06Å; T1083-Q1086 PolarHBondContact O-N 3.42Å; Q1086-I1089 PolarHBondContact O-N 3.33Å; Q1086-R1090 PolarHBondContact O-N 2.79Å; Q1086-R1090 VanDerWaalsContact O-N 3.09Å; Q1086-W1123 HydrophobicContact CB-CB 4.47Å; Q1086-W1123 HydrophobicContact CB-CG 4.49Å; Q1086-W1123 HydrophobicContact CG-CB 4.26Å; Q1086-W1123 HydrophobicContact CG-CD2 4.39Å; Q1086-W1123 HydrophobicContact CG-CG 4.16Å; Q1086-L1127 HydrophobicContact CB-CD2 4.37Å; Q1086-L1127 HydrophobicContact CB-CG 4.43Å; Q1086-L1127 WeakPolarHBondContact O-CD2 3.42Å
1087	L	91.9	Very high	88.9	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-69.1	-35.6	175.8	-64.3	176.4	0	0	0	111.9	P1036 T1040 M1041 F1044 T1083 N1084 E1085 R1090 E1091 M1126	P1036-L1087 HydrophobicContact CB-CB 3.79Å; P1036-L1087 HydrophobicContact CG-CB 3.94Å; P1036-L1087 HydrophobicContact CG-CD1 4.28Å; T1040-L1087 HydrophobicContact CG2-CB 4.03Å; T1040-L1087 HydrophobicContact CG2-CD2 4.14Å; M1041-L1087 HydrophobicContact SD-CD1 3.46Å; M1041-L1087 WeakPolarHBondContact SD-CD1 3.49Å; F1044-L1087 HydrophobicContact CB-CD1 3.92Å; F1044-L1087 HydrophobicContact CB-CD2 3.85Å; F1044-L1087 HydrophobicContact CD1-CD1 4.23Å; F1044-L1087 HydrophobicContact CD2-CD2 4.13Å; F1044-L1087 HydrophobicContact CG-CD1 3.98Å; F1044-L1087 HydrophobicContact CG-CD2 4.13Å; T1083-L1087 HydrophobicContact CG2-CD1 4.01Å; T1083-L1087 HydrophobicContact CG2-CG 4.44Å; T1083-L1087 VanDerWaalsContact O-CG 3.27Å; T1083-L1087 WeakPolarHBondContact O-CG 3.46Å; T1083-L1087 PolarHBondContact O-N 3.11Å; N1084-L1087 PolarHBondContact O-N 3.03Å; E1085-L1087 VanDerWaalsContact C-N 3.34Å; E1085-L1087 PolarHBondContact O-N 2.73Å; L1087-R1090 WeakPolarHBondContact O-CB 3.21Å; L1087-R1090 PolarHBondContact O-N 3.33Å; L1087-E1091 PolarHBondContact O-N 2.89Å; L1087-M1126 HydrophobicContact CD2-CB 3.84Å; L1087-M1126 HydrophobicContact CD2-CE 3.61Å; L1087-M1126 HydrophobicContact CD2-CG 3.78Å
1088	R	90.4	Very high	89.3	Confident	22 Å²	22	43.4 Å²	43.4	8%	0.083	21%	0.21	C	C	.	.	H	α-helix	trans	-69	-38.7	174.3	-173.3	62.6	-173.3	151.5	9.2	111.9	D1031 I1032 R1034 N1084 E1085 R1090 E1091 E1092	D1031-R1088 WeakPolarHBondContact O-CG 3.45Å; D1031-R1088 PolarHBondContact O-NE 2.94Å; I1032-R1088 WeakPolarHBondContact O-CB 3.28Å; I1032-R1088 VanDerWaalsContact O-CG 3.31Å; I1032-R1088 WeakPolarHBondContact O-CG 3.42Å; R1034-R1088 WeakPolarHBondContact O-CG 3.35Å; N1084-R1088 WeakPolarHBondContact O-CB 3.42Å; N1084-R1088 PolarHBondContact O-N 2.98Å; E1085-R1088 PolarHBondContact O-N 2.87Å; R1088-R1090 VanDerWaalsContact C-N 3.34Å; R1088-R1090 PolarHBondContact O-N 2.93Å; R1088-E1091 IonicContact CZ-OE2 2.74Å; R1088-E1091 IonicContact NH1-OE2 2.84Å; R1088-E1091 PolarHBondContact NH1-OE2 2.87Å; R1088-E1091 PolarHBondContact O-N 3.19Å; R1088-E1092 IonicContact CZ-OE1 3.08Å; R1088-E1092 IonicContact NE-OE1 2.98Å; R1088-E1092 IonicContact NH2-OE1 3.15Å; R1088-E1092 PolarHBondContact NH2-OE1 3.08Å; R1088-E1092 PolarHBondContact O-N 3.48Å
1089	I	90.9	Very high	89.7	Confident	1 Å²	1	47.2 Å²	47.2	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-59.9	-41.6	172.5	-67.5	158.9	0	0	0	111.1	W965 L967 I1032 E1085 Q1086 E1091 E1092 M1093 L1127	W965-I1089 HydrophobicContact CE3-CG2 4.48Å; L967-I1089 HydrophobicContact CD1-CD1 3.72Å; L967-I1089 HydrophobicContact CD1-CG1 4.2Å; L967-I1089 HydrophobicContact CD1-CG2 4.07Å; I1032-I1089 HydrophobicContact CG2-CD1 4.3Å; I1032-I1089 HydrophobicContact CG2-CG1 3.88Å; E1085-I1089 HydrophobicContact CG-CD1 4.11Å; E1085-I1089 WeakPolarHBondContact O-CD1 3.42Å; E1085-I1089 VanDerWaalsContact O-CG1 3.27Å; E1085-I1089 WeakPolarHBondContact O-CG1 3.18Å; E1085-I1089 PolarHBondContact O-N 3.14Å; Q1086-I1089 PolarHBondContact O-N 3.33Å; I1089-E1091 VanDerWaalsContact C-N 3.33Å; I1089-E1091 PolarHBondContact O-N 3.46Å; I1089-E1092 PolarHBondContact O-N 3.09Å; I1089-M1093 HydrophobicContact CG2-CG 4.12Å; I1089-M1093 HydrophobicContact CG2-SD 3.62Å; I1089-M1093 WeakPolarHBondContact O-CB 3.17Å; I1089-M1093 VanDerWaalsContact O-CG 3.28Å; I1089-M1093 WeakPolarHBondContact O-CG 3.48Å; I1089-M1093 PolarHBondContact O-N 3.07Å; I1089-L1127 HydrophobicContact CB-CD2 3.88Å; I1089-L1127 HydrophobicContact CG2-CD2 3.57Å
1090	R	91.9	Very high	90.1	Very high	8 Å²	8	46.1 Å²	46.1	3%	0.03	22%	0.22	C	C	.	.	H	α-helix	trans	-54.3	-46.7	174.1	171	-174.4	-177.7	50.4	0.4	112.1	E1043 Q1086 L1087 R1088 M1093 L1094 M1126 K1129 D1130	E1043-R1090 IonicContact OE1-NH2 3.44Å; E1043-R1090 PolarHBondContact OE1-NH2 3.19Å; E1043-R1090 IonicContact OE2-CZ 3.98Å; E1043-R1090 IonicContact OE2-NE 3.69Å; E1043-R1090 PolarHBondContact OE2-NE 3.45Å; E1043-R1090 VanDerWaalsContact OE2-NE 3.15Å; E1043-R1090 IonicContact OE2-NH2 2.72Å; E1043-R1090 PolarHBondContact OE2-NH2 2.87Å; Q1086-R1090 PolarHBondContact O-N 2.79Å; Q1086-R1090 VanDerWaalsContact O-N 3.09Å; L1087-R1090 WeakPolarHBondContact O-CB 3.21Å; L1087-R1090 PolarHBondContact O-N 3.33Å; R1088-R1090 VanDerWaalsContact C-N 3.34Å; R1088-R1090 PolarHBondContact O-N 2.93Å; R1090-M1093 PolarHBondContact O-N 3.48Å; R1090-L1094 HydrophobicContact CG-CD1 3.87Å; R1090-L1094 WeakPolarHBondContact O-CB 3.4Å; R1090-L1094 WeakPolarHBondContact O-CG 3.37Å; R1090-L1094 PolarHBondContact O-N 3.37Å; R1090-M1126 WeakPolarHBondContact CD-O 3.47Å; R1090-M1126 WeakPolarHBondContact CG-O 3.08Å; R1090-M1126 PolarHBondContact NH1-O 3.16Å; R1090-K1129 PolarHBondContact NH1-O 3.48Å; R1090-D1130 IonicContact NH2-OD2 3.43Å; R1090-D1130 PolarHBondContact NH2-OD2 3.29Å
1091	E	92.2	Very high	90.4	Very high	18 Å²	18	42.7 Å²	42.7	8%	0.084	21%	0.207	C	C	.	.	H	α-helix	trans	-61.7	-48.4	-178.7	-67.2	172.3	177.6	0	0	111.5	Q1037 T1040 L1087 R1088 I1089 M1093 L1094 Q1095	Q1037-E1091 WeakPolarHBondContact CB-OE1 3.42Å; Q1037-E1091 WeakPolarHBondContact CG-OE1 3.2Å; Q1037-E1091 PolarHBondContact N-OE1 3.23Å; T1040-E1091 VanDerWaalsContact CB-OE1 3.27Å; T1040-E1091 WeakPolarHBondContact CB-OE1 3.48Å; T1040-E1091 HydrophobicContact CG2-CG 4.31Å; T1040-E1091 PolarHBondContact OG1-OE1 3.29Å; L1087-E1091 PolarHBondContact O-N 2.89Å; R1088-E1091 IonicContact CZ-OE2 2.74Å; R1088-E1091 IonicContact NH1-OE2 2.84Å; R1088-E1091 PolarHBondContact NH1-OE2 2.87Å; R1088-E1091 PolarHBondContact O-N 3.19Å; I1089-E1091 VanDerWaalsContact C-N 3.33Å; I1089-E1091 PolarHBondContact O-N 3.46Å; E1091-M1093 PolarHBondContact O-N 2.73Å; E1091-L1094 PolarHBondContact O-N 2.91Å; E1091-Q1095 WeakPolarHBondContact O-CB 3.33Å; E1091-Q1095 PolarHBondContact O-N 3.14Å
1092	E	91.1	Very high	90.8	Very high	15 Å²	15	36.9 Å²	36.9	7%	0.07	18%	0.177	C	C	.	.	H	α-helix	trans	-64.8	-38.6	178.7	-65.6	-67.5	167.6	0	0	112	W965 I1029 R1088 I1089 Q1095 H1096	W965-E1092 VanDerWaalsContact CH2-C 3.47Å; W965-E1092 HydrophobicContact CH2-CB 3.69Å; W965-E1092 HydrophobicContact CZ3-CB 3.96Å; I1029-E1092 HydrophobicContact CD1-CB 4.23Å; I1029-E1092 HydrophobicContact CG2-CG 4.14Å; R1088-E1092 IonicContact CZ-OE1 3.08Å; R1088-E1092 IonicContact NE-OE1 2.98Å; R1088-E1092 IonicContact NH2-OE1 3.15Å; R1088-E1092 PolarHBondContact NH2-OE1 3.08Å; R1088-E1092 PolarHBondContact O-N 3.48Å; I1089-E1092 PolarHBondContact O-N 3.09Å; E1092-Q1095 PolarHBondContact O-N 3.09Å; E1092-H1096 PolarHBondContact O-N 3.4Å; E1092-H1096 VanDerWaalsContact O-N 3.1Å; E1092-H1096 PolarHBondContact O-ND1 2.98Å; E1092-H1096 IonicContact OE2-CE1 2.74Å; E1092-H1096 PolarHBondContact OE2-CE1 3.39Å; E1092-H1096 VanDerWaalsContact OE2-CE1 3.26Å; E1092-H1096 IonicContact OE2-ND1 2.75Å
1093	M	92.5	Very high	91.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.2	-44.2	174.7	-77.6	177.3	65.1	0	0	112.3	W965 I1089 R1090 E1091 Q1095 H1096 S1097 V1103 V1105 L1127 M1131	W965-M1093 HydrophobicContact CD2-CG 3.62Å; W965-M1093 HydrophobicContact CD2-SD 4.42Å; W965-M1093 HydrophobicContact CE3-CG 3.77Å; W965-M1093 HydrophobicContact CG-CG 4.3Å; W965-M1093 HydrophobicContact CH2-CB 4.49Å; W965-M1093 HydrophobicContact CH2-CG 3.9Å; W965-M1093 HydrophobicContact CZ2-CB 4.25Å; W965-M1093 HydrophobicContact CZ2-CG 3.72Å; W965-M1093 HydrophobicContact CZ3-CG 3.89Å; I1089-M1093 HydrophobicContact CG2-CG 4.12Å; I1089-M1093 HydrophobicContact CG2-SD 3.62Å; I1089-M1093 WeakPolarHBondContact O-CB 3.17Å; I1089-M1093 VanDerWaalsContact O-CG 3.28Å; I1089-M1093 WeakPolarHBondContact O-CG 3.48Å; I1089-M1093 PolarHBondContact O-N 3.07Å; R1090-M1093 PolarHBondContact O-N 3.48Å; E1091-M1093 PolarHBondContact O-N 2.73Å; M1093-Q1095 VanDerWaalsContact C-N 3.29Å; M1093-Q1095 PolarHBondContact O-N 3.07Å; M1093-H1096 PolarHBondContact O-N 3.17Å; M1093-S1097 WeakPolarHBondContact O-CA 3.43Å; M1093-S1097 WeakPolarHBondContact O-CB 3.26Å; M1093-S1097 PolarHBondContact O-N 2.72Å; M1093-V1103 HydrophobicContact CE-CG1 3.94Å; M1093-V1105 HydrophobicContact CE-CB 4.39Å; M1093-V1105 HydrophobicContact CE-CG1 4.29Å; M1093-V1105 HydrophobicContact SD-CG2 4.26Å; M1093-L1127 WeakPolarHBondContact CE-O 3.35Å; M1093-L1127 HydrophobicContact SD-CD2 4.45Å; M1093-M1131 HydrophobicContact CB-CE 4.04Å; M1093-M1131 HydrophobicContact CB-SD 4.45Å; M1093-M1131 HydrophobicContact CE-CE 4.1Å
1094	L	91.7	Very high	91.7	Very high	49 Å²	49	34.6 Å²	34.6	26%	0.257	17%	0.168	S	C	.	.	H	α-helix	trans	-65.4	-32.6	176.5	-75.9	168.8	0	0	0	112.2	R1090 E1091 K1098 D1130 M1131	R1090-L1094 HydrophobicContact CG-CD1 3.87Å; R1090-L1094 WeakPolarHBondContact O-CB 3.4Å; R1090-L1094 WeakPolarHBondContact O-CG 3.37Å; R1090-L1094 PolarHBondContact O-N 3.37Å; E1091-L1094 PolarHBondContact O-N 2.91Å; L1094-K1098 WeakPolarHBondContact O-CB 3.4Å; L1094-D1130 HydrophobicContact CD2-CB 4.41Å; L1094-M1131 HydrophobicContact CD2-SD 3.71Å; L1094-M1131 HydrophobicContact CG-SD 4.19Å
1095	Q	91	Very high	91.9	Very high	140 Å²	140	33.8 Å²	33.8	65%	0.654	16%	0.164	S	C	*	.	H	α-helix	trans	-71.9	-39.6	177.6	-178.9	170.5	-26.5	0	0	113	E1091 E1092 M1093	E1091-Q1095 WeakPolarHBondContact O-CB 3.33Å; E1091-Q1095 PolarHBondContact O-N 3.14Å; E1092-Q1095 PolarHBondContact O-N 3.09Å; M1093-Q1095 VanDerWaalsContact C-N 3.29Å; M1093-Q1095 PolarHBondContact O-N 3.07Å
1096	H	91.8	Very high	92.1	Very high	63 Å²	63	32.1 Å²	32.1	29%	0.292	16%	0.156	S	C	.	.	H	α-helix	trans	-106.2	-27.3	-169.9	-63.2	95.2	0	0	0	115.5	W965 R994 F996 E1092 M1093	W965-H1096 HydrophobicContact CZ2-CB 4.25Å; R994-H1096 PolarHBondContact NH2-O 3.15Å; F996-H1096 HydrophobicContact CE1-CB 3.68Å; F996-H1096 HydrophobicContact CZ-CB 3.98Å; E1092-H1096 PolarHBondContact O-N 3.4Å; E1092-H1096 VanDerWaalsContact O-N 3.1Å; E1092-H1096 PolarHBondContact O-ND1 2.98Å; E1092-H1096 IonicContact OE2-CE1 2.74Å; E1092-H1096 PolarHBondContact OE2-CE1 3.39Å; E1092-H1096 VanDerWaalsContact OE2-CE1 3.26Å; E1092-H1096 IonicContact OE2-ND1 2.75Å; M1093-H1096 PolarHBondContact O-N 3.17Å
1097	S	93.4	Very high	92.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.154	C	C	.	.	S	Bend	trans	-120.4	3.3	-164.7	-68.4	0	0	0	0	115.3	D963 W965 M1093 D1099 A1100 P1132	D963-S1097 WeakPolarHBondContact CB-OG 3.13Å; D963-S1097 VanDerWaalsContact OD2-CA 3.24Å; D963-S1097 WeakPolarHBondContact OD2-CA 3.45Å; D963-S1097 WeakPolarHBondContact OD2-CB 3.11Å; D963-S1097 PolarHBondContact OD2-OG 3.12Å; W965-S1097 PolarHBondContact NE1-OG 2.88Å; M1093-S1097 WeakPolarHBondContact O-CA 3.43Å; M1093-S1097 WeakPolarHBondContact O-CB 3.26Å; M1093-S1097 PolarHBondContact O-N 2.72Å; S1097-D1099 VanDerWaalsContact C-N 3.29Å; S1097-D1099 PolarHBondContact O-N 3.3Å; S1097-A1100 VanDerWaalsContact O-CB 3.3Å; S1097-A1100 WeakPolarHBondContact O-CB 3.07Å; S1097-A1100 PolarHBondContact O-N 3.15Å; S1097-A1100 VanDerWaalsContact O-N 3.16Å; S1097-P1132 WeakPolarHBondContact O-CG 3.42Å
1098	K	90.5	Very high	92.2	Very high	128 Å²	128	32.1 Å²	32.1	56%	0.557	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-35	179.9	-174	172.9	-176.3	172.2	0	114.4	L1094 P1132	L1094-K1098 WeakPolarHBondContact O-CB 3.4Å; K1098-P1132 WeakPolarHBondContact O-CD 3.29Å
1099	D	90.8	Very high	92	Very high	158 Å²	158	31.3 Å²	31.3	85%	0.845	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	4.7	-179.4	-65.4	-35.5	0	0	0	113.9	S1097	S1097-D1099 VanDerWaalsContact C-N 3.29Å; S1097-D1099 PolarHBondContact O-N 3.3Å
1100	A	91.7	Very high	91.8	Very high	5 Å²	5	31.2 Å²	31.2	4%	0.041	15%	0.154	C	C	.	.			trans	-70.1	157	179	0	0	0	0	0	112.3	D963 S1097 V1103 P1132	D963-A1100 HydrophobicContact CB-CB 4.39Å; S1097-A1100 VanDerWaalsContact O-CB 3.3Å; S1097-A1100 WeakPolarHBondContact O-CB 3.07Å; S1097-A1100 PolarHBondContact O-N 3.15Å; S1097-A1100 VanDerWaalsContact O-N 3.16Å; A1100-V1103 HydrophobicContact CB-CG2 3.83Å; A1100-P1132 HydrophobicContact CB-CG 4.47Å; A1100-P1132 WeakPolarHBondContact O-CB 3.45Å; A1100-P1132 WeakPolarHBondContact O-CG 3.49Å
1101	N	91.8	Very high	91.2	Very high	54 Å²	54	34.6 Å²	34.6	29%	0.289	17%	0.167	S	C	.	.	S	Bend	trans	-87.6	-22.8	177.1	-59.9	116.6	0	0	0	113.3	A960 V961 L988	A960-N1101 WeakPolarHBondContact CA-OD1 3.43Å; A960-N1101 HydrophobicContact CB-CB 4.23Å; A960-N1101 WeakPolarHBondContact CB-OD1 3.38Å; V961-N1101 PolarHBondContact N-OD1 3.34Å; V961-N1101 WeakPolarHBondContact O-CB 3.2Å; V961-N1101 PolarHBondContact O-N 3.06Å; L988-N1101 HydrophobicContact CD2-CB 4.36Å
1102	L	93.9	Very high	90.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	134	173.7	177.2	68.1	0	0	0	107.3	F662 I962 D963 L981 L988 V1104 P1133 L1135	F662-L1102 HydrophobicContact CE2-CD1 4.03Å; F662-L1102 HydrophobicContact CE2-CD2 4.26Å; F662-L1102 HydrophobicContact CZ-CD1 4.07Å; F662-L1102 HydrophobicContact CZ-CD2 4.17Å; I962-L1102 WeakPolarHBondContact CA-O 3.41Å; I962-L1102 HydrophobicContact CG1-CB 4.41Å; I962-L1102 HydrophobicContact CG2-CB 4.44Å; I962-L1102 HydrophobicContact CG2-CD2 4.32Å; I962-L1102 HydrophobicContact CG2-CG 4.49Å; D963-L1102 PolarHBondContact N-O 3.03Å; D963-L1102 VanDerWaalsContact N-O 3.08Å; L981-L1102 HydrophobicContact CD1-CD2 3.54Å; L988-L1102 HydrophobicContact CD1-CB 4.02Å; L988-L1102 HydrophobicContact CD1-CD2 3.91Å; L1102-V1104 HydrophobicContact CD2-CG2 4.17Å; L1102-V1104 HydrophobicContact CG-CG2 4.19Å; L1102-P1133 HydrophobicContact CD1-CB 4.33Å; L1102-L1135 HydrophobicContact CD1-CB 4.39Å
1103	V	95.2	Very high	89.5	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	123.5	172	-179	0	0	0	0	107.7	D963 M1093 A1100 M1131 P1132 P1133 V1134 L1135	D963-V1103 HydrophobicContact CB-CG2 4.42Å; D963-V1103 CarbonylContact O-C 3.48Å; D963-V1103 WeakPolarHBondContact O-CA 3.39Å; M1093-V1103 HydrophobicContact CE-CG1 3.94Å; A1100-V1103 HydrophobicContact CB-CG2 3.83Å; V1103-M1131 HydrophobicContact CG1-CE 4.42Å; V1103-M1131 HydrophobicContact CG2-CE 4.02Å; V1103-P1132 HydrophobicContact CG2-CG 3.87Å; V1103-P1133 PolarHBondContact N-O 3.17Å; V1103-V1134 CarbonylContact O-C 3.57Å; V1103-V1134 VanDerWaalsContact O-CA 3.27Å; V1103-V1134 WeakPolarHBondContact O-CA 3.47Å; V1103-L1135 PolarHBondContact O-N 2.91Å
1104	V	95.7	Very high	88.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.7	173.4	-171.6	0	0	0	0	107.4	I962 D963 V964 W965 T974 P978 L1102 L1135 V1137	I962-V1104 HydrophobicContact CG2-CG2 4.28Å; D963-V1104 PolarHBondContact O-N 3.46Å; V964-V1104 CarbonylContact C-O 3.54Å; V964-V1104 WeakPolarHBondContact CA-O 3.43Å; V964-V1104 HydrophobicContact CG1-CB 4.42Å; V964-V1104 HydrophobicContact CG2-CB 4.46Å; W965-V1104 PolarHBondContact N-O 2.83Å; T974-V1104 HydrophobicContact CG2-CG1 4.14Å; P978-V1104 HydrophobicContact CB-CG2 3.93Å; P978-V1104 HydrophobicContact CG-CB 4.42Å; P978-V1104 HydrophobicContact CG-CG1 4.46Å; P978-V1104 HydrophobicContact CG-CG2 4.09Å; L1102-V1104 HydrophobicContact CD2-CG2 4.17Å; L1102-V1104 HydrophobicContact CG-CG2 4.19Å; V1104-L1135 VanDerWaalsContact CA-O 3.31Å; V1104-L1135 WeakPolarHBondContact CA-O 3.46Å; V1104-L1135 HydrophobicContact CG1-CD2 4.41Å; V1104-L1135 HydrophobicContact CG2-CB 4.31Å; V1104-L1135 HydrophobicContact CG2-CD2 4.41Å; V1104-V1137 HydrophobicContact CG1-CB 4.44Å; V1104-V1137 HydrophobicContact CG1-CG2 3.71Å
1105	V	94.2	Very high	88.4	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	140.9	-176.7	51.9	0	0	0	0	110.4	W965 L967 M1093 L1107 V1134 L1135 L1136 V1137	W965-V1105 HydrophobicContact CB-CB 3.88Å; W965-V1105 HydrophobicContact CB-CG2 3.84Å; W965-V1105 WeakPolarHBondContact O-CA 3.41Å; L967-V1105 HydrophobicContact CD1-CG2 4.41Å; M1093-V1105 HydrophobicContact CE-CB 4.39Å; M1093-V1105 HydrophobicContact CE-CG1 4.29Å; M1093-V1105 HydrophobicContact SD-CG2 4.26Å; V1105-L1107 PolarHBondContact O-N 3.43Å; V1105-V1134 HydrophobicContact CG1-CG1 3.62Å; V1105-L1135 PolarHBondContact N-O 3.07Å; V1105-L1136 HydrophobicContact CG1-CD2 3.68Å; V1105-L1136 HydrophobicContact CG1-CG 4.2Å; V1105-L1136 CarbonylContact O-C 3.49Å; V1105-L1136 WeakPolarHBondContact O-CA 3.46Å; V1105-V1137 PolarHBondContact O-N 3.13Å
1106	T	93.1	Very high	88.2	Confident	3 Å²	3	34.7 Å²	34.7	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	119.9	176.8	-52.7	0	0	0	0	110.4	W965 L967 Y968 V1137	W965-T1106 PolarHBondContact O-N 2.8Å; W965-T1106 PolarHBondContact O-OG1 2.83Å; L967-T1106 PolarHBondContact N-OG1 3.45Å; Y968-T1106 HydrophobicContact CD2-CG2 3.86Å; T1106-V1137 CarbonylContact C-O 3.58Å; T1106-V1137 VanDerWaalsContact CA-O 3.3Å; T1106-V1137 WeakPolarHBondContact CA-O 3.34Å
1107	L	92.4	Very high	88	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-69.9	127.9	179	178.3	76.3	0	0	0	109.7	F767 L773 I775 V1105 Y1120 L1124 L1136 V1137 R1138	F767-L1107 HydrophobicContact CZ-CD2 4.06Å; L773-L1107 HydrophobicContact CB-CD2 4.38Å; L773-L1107 HydrophobicContact CD2-CD2 3.6Å; L773-L1107 HydrophobicContact CG-CD2 3.97Å; I775-L1107 HydrophobicContact CD1-CD1 4.15Å; I775-L1107 HydrophobicContact CD1-CD2 4.16Å; V1105-L1107 PolarHBondContact O-N 3.43Å; L1107-Y1120 WeakPolarHBondContact CD1-OH 3.41Å; L1107-L1124 HydrophobicContact CD1-CD1 4.11Å; L1107-L1124 HydrophobicContact CD1-CD2 3.56Å; L1107-L1136 HydrophobicContact CB-CB 4.09Å; L1107-L1136 HydrophobicContact CD1-CB 3.72Å; L1107-L1136 HydrophobicContact CD1-CD1 4.17Å; L1107-L1136 HydrophobicContact CD1-CD2 4Å; L1107-L1136 HydrophobicContact CD1-CG 4.19Å; L1107-L1136 HydrophobicContact CG-CB 4.44Å; L1107-V1137 PolarHBondContact N-O 3.32Å; L1107-R1138 HydrophobicContact CB-CB 4.19Å
1108	P	89.5	Confident	87.8	Confident	10 Å²	10	31.7 Å²	31.7	7%	0.065	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-66.8	139.7	173.5	26.8	-34	0	0	0	110.8	Y1120 L1124 L1127	P1108-Y1120 HydrophobicContact CG-CE2 4.27Å; P1108-Y1120 VanDerWaalsContact O-CE2 3.3Å; P1108-Y1120 WeakPolarHBondContact O-CE2 3.36Å; P1108-Y1120 PolarHBondContact O-OH 3.43Å; P1108-L1124 HydrophobicContact CG-CD2 4Å; P1108-L1127 HydrophobicContact CG-CD1 4.36Å
1109	V	86.9	Confident	87.8	Confident	4 Å²	4	25.6 Å²	25.6	2%	0.024	13%	0.129	C	C	.	.	P	Polyproline II helix	trans	-89.2	121	180	-178.3	0	0	0	0	109.9	F767 R1138	F767-V1109 HydrophobicContact CE1-CG2 4.39Å; F767-V1109 HydrophobicContact CE2-CG1 4.42Å; F767-V1109 HydrophobicContact CZ-CG2 4.27Å; V1109-R1138 HydrophobicContact CG2-CG 4.01Å
1110	P	86.3	Confident	87.8	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.089	C	C	.	.	P	Polyproline II helix	trans	-73.5	128.1	171.9	29.5	-28.5	0	0	0	109.3	H111 F760 I763 F767 Y1120	H111-P1110 PolarHBondContact CD2-O 3.16Å; H111-P1110 VanDerWaalsContact CD2-O 3.25Å; F760-P1110 HydrophobicContact CE2-CB 4.03Å; F760-P1110 HydrophobicContact CE2-CG 4.21Å; F760-P1110 HydrophobicContact CZ-CB 4.19Å; I763-P1110 HydrophobicContact CG2-CG 4.34Å; F767-P1110 HydrophobicContact CE2-CG 4.29Å; P1110-Y1120 HydrophobicContact CB-CD2 3.76Å; P1110-Y1120 HydrophobicContact CB-CE2 3.85Å; P1110-Y1120 HydrophobicContact CB-CG 4.2Å; P1110-Y1120 HydrophobicContact CG-CD2 4.21Å; P1110-Y1120 HydrophobicContact CG-CE1 4.28Å; P1110-Y1120 HydrophobicContact CG-CE2 3.87Å
1111	R	79.5	Confident	87.8	Confident	79 Å²	79	17.9 Å²	17.9	30%	0.298	9%	0.087	S	C	.	.	P	Polyproline II helix	trans	-74	135.1	168.6	-76.1	-176.6	178.5	167.6	3.9	108.6	S78 A1114	S78-R1111 PolarHBondContact OG-NH1 3.27Å; S78-R1111 PolarHBondContact OG-NH2 3.35Å; S78-R1111 VanDerWaalsContact OG-NH2 3.11Å; R1111-A1114 HydrophobicContact CB-CB 4.02Å
1112	K	74.5	Confident	87.8	Confident	58 Å²	58	15.3 Å²	15.3	25%	0.252	7%	0.074	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	141.9	174.4	-73	-171.1	173.8	-168.6	0	110.5	H111 D768 A1114	H111-K1112 WeakPolarHBondContact NE2-CE 3.4Å; H111-K1112 PolarHBondContact O-N 2.97Å; D768-K1112 WeakPolarHBondContact OD1-CE 3.33Å; D768-K1112 IonicContact OD1-NZ 3.76Å; D768-K1112 PolarHBondContact OD1-NZ 3.39Å; D768-K1112 WeakPolarHBondContact OD2-CE 3.41Å; D768-K1112 IonicContact OD2-NZ 3.05Å; D768-K1112 PolarHBondContact OD2-NZ 2.92Å; K1112-A1114 PolarHBondContact O-N 3.29Å
1113	K	73.9	Confident	87.8	Confident	124 Å²	124	15.6 Å²	15.6	54%	0.539	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.7	-14.5	-179.9	-55.5	-173.7	-165.4	149.5	0	118	D113	D113-K1113 WeakPolarHBondContact OD2-CD 3.44Å; D113-K1113 WeakPolarHBondContact OD2-CE 3.44Å; D113-K1113 IonicContact OD2-NZ 3.4Å; D113-K1113 PolarHBondContact OD2-NZ 2.73Å
1114	A	75.9	Confident	87.7	Confident	38 Å²	38	15.6 Å²	15.6	31%	0.314	8%	0.075	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-13.6	179.8	0	0	0	0	0	113.9	M1079 R1111 K1112	M1079-A1114 HydrophobicContact CE-CB 4.01Å; M1079-A1114 WeakPolarHBondContact CE-O 3.44Å; R1111-A1114 HydrophobicContact CB-CB 4.02Å; K1112-A1114 PolarHBondContact O-N 3.29Å
1115	V	83.8	Confident	87.5	Confident	4 Å²	4	16.3 Å²	16.3	2%	0.024	8%	0.078	C	C	.	.	S	Bend	trans	-133.5	125.5	-179.8	-172.8	0	0	0	0	109.6	F760 E1075 M1079 L1119 W1123	F760-V1115 WeakPolarHBondContact CZ-O 3.16Å; E1075-V1115 VanDerWaalsContact OE1-CA 3.31Å; E1075-V1115 WeakPolarHBondContact OE1-CA 3.49Å; M1079-V1115 HydrophobicContact CE-CG2 4.27Å; M1079-V1115 HydrophobicContact SD-CG2 4.39Å; V1115-L1119 HydrophobicContact CG1-CB 4.34Å; V1115-L1119 HydrophobicContact CG1-CD2 4.39Å; V1115-L1119 HydrophobicContact CG1-CG 4.44Å; V1115-W1123 HydrophobicContact CG1-CH2 3.97Å; V1115-W1123 HydrophobicContact CG1-CZ3 3.98Å; V1115-W1123 HydrophobicContact CG2-CH2 4.09Å; V1115-W1123 HydrophobicContact CG2-CZ3 4.33Å
1116	S	87.4	Confident	87.4	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.078	C	C	.	.			trans	-74.8	156	175	53.7	0	0	0	0	112.1	T1068 Y1070 T1071 E1075 T1118 L1119 Y1120	T1068-S1116 WeakPolarHBondContact O-CA 3.48Å; Y1070-S1116 WeakPolarHBondContact O-CB 3.47Å; T1071-S1116 PolarHBondContact OG1-OG 3.38Å; E1075-S1116 PolarHBondContact OE1-N 2.89Å; E1075-S1116 PolarHBondContact OE1-OG 2.03Å; E1075-S1116 WeakPolarHBondContact OE2-CB 3.2Å; E1075-S1116 PolarHBondContact OE2-OG 3.12Å; S1116-T1118 VanDerWaalsContact C-N 3.3Å; S1116-T1118 PolarHBondContact O-N 3.24Å; S1116-L1119 PolarHBondContact O-N 3.21Å; S1116-Y1120 PolarHBondContact O-N 3.01Å; S1116-Y1120 VanDerWaalsContact O-N 3.12Å
1117	A	87.1	Confident	87.3	Confident	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.9	-38.8	-176.4	0	0	0	0	0	112.5	I756 F760 T1068 L1121	I756-A1117 HydrophobicContact CG2-CB 3.85Å; F760-A1117 HydrophobicContact CB-CB 3.83Å; F760-A1117 HydrophobicContact CD1-CB 3.58Å; F760-A1117 HydrophobicContact CD2-CB 4.39Å; F760-A1117 HydrophobicContact CE1-CB 4.15Å; F760-A1117 HydrophobicContact CG-CB 3.71Å; T1068-A1117 PolarHBondContact O-N 3.43Å; T1068-A1117 VanDerWaalsContact O-N 3.08Å; A1117-L1121 WeakPolarHBondContact O-CB 3.4Å; A1117-L1121 VanDerWaalsContact O-CG 3.3Å; A1117-L1121 WeakPolarHBondContact O-CG 3.31Å; A1117-L1121 PolarHBondContact O-N 3.31Å
1118	T	89.6	Confident	87.3	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-72.2	-40.4	179.9	50.2	0	0	0	0	112.9	I756 F1051 V1069 T1071 S1116 Y1120 L1121 A1122	I756-T1118 HydrophobicContact CG2-CG2 4.46Å; F1051-T1118 HydrophobicContact CB-CG2 3.9Å; F1051-T1118 HydrophobicContact CD1-CG2 3.57Å; F1051-T1118 HydrophobicContact CD2-CG2 4.42Å; F1051-T1118 HydrophobicContact CE1-CG2 4.18Å; F1051-T1118 HydrophobicContact CG-CG2 3.71Å; V1069-T1118 HydrophobicContact CG1-CG2 4.11Å; V1069-T1118 WeakPolarHBondContact O-CB 3.28Å; V1069-T1118 WeakPolarHBondContact O-CG2 3.04Å; V1069-T1118 PolarHBondContact O-N 3.1Å; V1069-T1118 PolarHBondContact O-OG1 3.34Å; T1071-T1118 PolarHBondContact OG1-OG1 3.01Å; T1071-T1118 VanDerWaalsContact OG1-OG1 3.06Å; S1116-T1118 VanDerWaalsContact C-N 3.3Å; S1116-T1118 PolarHBondContact O-N 3.24Å; T1118-Y1120 PolarHBondContact O-N 2.67Å; T1118-L1121 PolarHBondContact O-N 2.75Å; T1118-A1122 VanDerWaalsContact O-CB 3.25Å; T1118-A1122 WeakPolarHBondContact O-CB 3.4Å; T1118-A1122 PolarHBondContact O-N 3.49Å
1119	L	90.4	Very high	87.2	Confident	0 Å²	0	19 Å²	19	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.9	-43.9	174.7	-176.2	59.9	0	0	0	111.6	F1044 M1048 T1071 E1075 L1076 M1079 V1115 S1116 A1122 W1123	F1044-L1119 HydrophobicContact CE2-CD1 4.31Å; F1044-L1119 HydrophobicContact CZ-CD1 3.78Å; M1048-L1119 HydrophobicContact CE-CB 4.44Å; M1048-L1119 HydrophobicContact CE-CD1 4.26Å; M1048-L1119 HydrophobicContact SD-CD1 4.44Å; T1071-L1119 HydrophobicContact CG2-CB 4.16Å; T1071-L1119 HydrophobicContact CG2-CD2 4.36Å; T1071-L1119 PolarHBondContact OG1-N 2.96Å; E1075-L1119 HydrophobicContact CG-CD2 4.23Å; E1075-L1119 WeakPolarHBondContact OE1-CD2 3.32Å; L1076-L1119 HydrophobicContact CD1-CD1 4.1Å; M1079-L1119 HydrophobicContact CB-CD2 4.02Å; M1079-L1119 HydrophobicContact CG-CD2 4.26Å; V1115-L1119 HydrophobicContact CG1-CB 4.34Å; V1115-L1119 HydrophobicContact CG1-CD2 4.39Å; V1115-L1119 HydrophobicContact CG1-CG 4.44Å; S1116-L1119 PolarHBondContact O-N 3.21Å; L1119-A1122 WeakPolarHBondContact O-CB 3.42Å; L1119-A1122 PolarHBondContact O-N 3.14Å; L1119-W1123 HydrophobicContact CD1-CZ2 4.29Å; L1119-W1123 HydrophobicContact CD2-CH2 4.36Å; L1119-W1123 HydrophobicContact CD2-CZ2 3.75Å; L1119-W1123 HydrophobicContact CG-CH2 4.49Å; L1119-W1123 HydrophobicContact CG-CZ2 3.78Å; L1119-W1123 PolarHBondContact O-N 3.15Å
1120	Y	91.3	Very high	87.3	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-64.7	-44.7	177.7	-174.8	-108.5	0	0	0	112.4	F760 I763 L1107 P1108 P1110 S1116 T1118 A1122 W1123 L1124	F760-Y1120 AromaticContact CD2-CD1 3.85Å; F760-Y1120 HydrophobicContact CD2-CD1 3.85Å; F760-Y1120 HydrophobicContact CD2-CG 4.39Å; F760-Y1120 AromaticContact CE2-CD1 3.61Å; F760-Y1120 HydrophobicContact CE2-CD1 3.61Å; F760-Y1120 HydrophobicContact CE2-CE1 4.43Å; F760-Y1120 AromaticContact CE2-CG 3.74Å; F760-Y1120 HydrophobicContact CE2-CG 3.74Å; I763-Y1120 HydrophobicContact CD1-CE1 4.05Å; I763-Y1120 HydrophobicContact CG2-CE1 4.29Å; L1107-Y1120 WeakPolarHBondContact CD1-OH 3.41Å; P1108-Y1120 HydrophobicContact CG-CE2 4.27Å; P1108-Y1120 VanDerWaalsContact O-CE2 3.3Å; P1108-Y1120 WeakPolarHBondContact O-CE2 3.36Å; P1108-Y1120 PolarHBondContact O-OH 3.43Å; P1110-Y1120 HydrophobicContact CB-CD2 3.76Å; P1110-Y1120 HydrophobicContact CB-CE2 3.85Å; P1110-Y1120 HydrophobicContact CB-CG 4.2Å; P1110-Y1120 HydrophobicContact CG-CD2 4.21Å; P1110-Y1120 HydrophobicContact CG-CE1 4.28Å; P1110-Y1120 HydrophobicContact CG-CE2 3.87Å; S1116-Y1120 PolarHBondContact O-N 3.01Å; S1116-Y1120 VanDerWaalsContact O-N 3.12Å; T1118-Y1120 PolarHBondContact O-N 2.67Å; Y1120-A1122 VanDerWaalsContact C-N 3.31Å; Y1120-A1122 PolarHBondContact O-N 3.11Å; Y1120-W1123 AromaticContact CD2-CE3 3.97Å; Y1120-W1123 HydrophobicContact CD2-CE3 3.97Å; Y1120-W1123 HydrophobicContact CD2-CZ3 4.29Å; Y1120-W1123 PolarHBondContact O-N 3.26Å; Y1120-L1124 HydrophobicContact CD1-CD1 4.18Å; Y1120-L1124 HydrophobicContact CE1-CD1 3.62Å; Y1120-L1124 HydrophobicContact CE1-CG 4.16Å; Y1120-L1124 WeakPolarHBondContact O-CG 3.45Å; Y1120-L1124 PolarHBondContact O-N 3.08Å; Y1120-L1124 VanDerWaalsContact O-N 3.13Å
1121	L	91.9	Very high	87.5	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.005	12%	0.117	C	C	.	.	H	α-helix	trans	-65.6	-33.9	176.2	-73	174.6	0	0	0	112.5	W748 I756 Y759 A1117 T1118 L1124 E1125	W748-L1121 HydrophobicContact CB-CD1 4.21Å; W748-L1121 HydrophobicContact CD2-CB 4.01Å; W748-L1121 HydrophobicContact CD2-CD1 4.19Å; W748-L1121 HydrophobicContact CE3-CB 4.07Å; W748-L1121 HydrophobicContact CE3-CD1 4.07Å; W748-L1121 HydrophobicContact CG-CD1 4.29Å; W748-L1121 HydrophobicContact CH2-CB 4.23Å; W748-L1121 HydrophobicContact CZ2-CB 4.2Å; W748-L1121 HydrophobicContact CZ3-CB 4.18Å; I756-L1121 HydrophobicContact CG2-CD1 3.81Å; Y759-L1121 HydrophobicContact CD1-CD2 4.01Å; Y759-L1121 HydrophobicContact CE1-CD2 3.92Å; A1117-L1121 WeakPolarHBondContact O-CB 3.4Å; A1117-L1121 VanDerWaalsContact O-CG 3.3Å; A1117-L1121 WeakPolarHBondContact O-CG 3.31Å; A1117-L1121 PolarHBondContact O-N 3.31Å; T1118-L1121 PolarHBondContact O-N 2.75Å; L1121-L1124 PolarHBondContact O-N 3.13Å; L1121-E1125 WeakPolarHBondContact O-CB 3.2Å; L1121-E1125 PolarHBondContact O-N 3.46Å
1122	A	91.8	Very high	88	Confident	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-62.5	-43.4	173	0	0	0	0	0	112.2	W748 F1044 L1047 M1048 T1118 L1119 Y1120 L1124 E1125 M1126	W748-A1122 HydrophobicContact CH2-CB 4.38Å; F1044-A1122 HydrophobicContact CD2-CB 4.49Å; F1044-A1122 HydrophobicContact CE2-CB 3.91Å; L1047-A1122 HydrophobicContact CD2-CB 3.4Å; L1047-A1122 VanDerWaalsContact CD2-CB 3.4Å; M1048-A1122 HydrophobicContact CG-CB 4.48Å; M1048-A1122 HydrophobicContact SD-CB 3.39Å; M1048-A1122 WeakPolarHBondContact SD-CB 3.46Å; T1118-A1122 VanDerWaalsContact O-CB 3.25Å; T1118-A1122 WeakPolarHBondContact O-CB 3.4Å; T1118-A1122 PolarHBondContact O-N 3.49Å; L1119-A1122 WeakPolarHBondContact O-CB 3.42Å; L1119-A1122 PolarHBondContact O-N 3.14Å; Y1120-A1122 VanDerWaalsContact C-N 3.31Å; Y1120-A1122 PolarHBondContact O-N 3.11Å; A1122-L1124 PolarHBondContact O-N 3.26Å; A1122-E1125 PolarHBondContact O-N 2.96Å; A1122-M1126 WeakPolarHBondContact O-CB 3.37Å; A1122-M1126 VanDerWaalsContact O-CG 3.3Å; A1122-M1126 WeakPolarHBondContact O-CG 3.44Å; A1122-M1126 PolarHBondContact O-N 2.91Å
1123	W	92.7	Very high	88.8	Confident	5 Å²	5	20 Å²	20	2%	0.019	11%	0.105	C	C	.	.	H	α-helix	trans	-58.9	-47.5	172.5	-63.8	-19.2	0	0	0	111.6	M1079 R1082 T1083 Q1086 V1115 L1119 Y1120 E1125 M1126 L1127	M1079-W1123 HydrophobicContact CB-CH2 4.39Å; M1079-W1123 HydrophobicContact CB-CZ2 4Å; M1079-W1123 HydrophobicContact CG-CH2 4.44Å; M1079-W1123 HydrophobicContact CG-CZ2 4.5Å; M1079-W1123 HydrophobicContact SD-CH2 4.45Å; R1082-W1123 HydrophobicContact CB-CH2 4.48Å; R1082-W1123 HydrophobicContact CB-CZ2 4.45Å; T1083-W1123 PolarHBondContact OG1-NE1 3Å; Q1086-W1123 HydrophobicContact CB-CB 4.47Å; Q1086-W1123 HydrophobicContact CB-CG 4.49Å; Q1086-W1123 HydrophobicContact CG-CB 4.26Å; Q1086-W1123 HydrophobicContact CG-CD2 4.39Å; Q1086-W1123 HydrophobicContact CG-CG 4.16Å; V1115-W1123 HydrophobicContact CG1-CH2 3.97Å; V1115-W1123 HydrophobicContact CG1-CZ3 3.98Å; V1115-W1123 HydrophobicContact CG2-CH2 4.09Å; V1115-W1123 HydrophobicContact CG2-CZ3 4.33Å; L1119-W1123 HydrophobicContact CD1-CZ2 4.29Å; L1119-W1123 HydrophobicContact CD2-CH2 4.36Å; L1119-W1123 HydrophobicContact CD2-CZ2 3.75Å; L1119-W1123 HydrophobicContact CG-CH2 4.49Å; L1119-W1123 HydrophobicContact CG-CZ2 3.78Å; L1119-W1123 PolarHBondContact O-N 3.15Å; Y1120-W1123 AromaticContact CD2-CE3 3.97Å; Y1120-W1123 HydrophobicContact CD2-CE3 3.97Å; Y1120-W1123 HydrophobicContact CD2-CZ3 4.29Å; Y1120-W1123 PolarHBondContact O-N 3.26Å; W1123-E1125 VanDerWaalsContact C-N 3.35Å; W1123-E1125 PolarHBondContact O-N 2.69Å; W1123-M1126 PolarHBondContact O-N 3.01Å; W1123-L1127 WeakPolarHBondContact O-CB 3.48Å; W1123-L1127 VanDerWaalsContact O-CG 3.25Å; W1123-L1127 WeakPolarHBondContact O-CG 3.04Å; W1123-L1127 PolarHBondContact O-N 2.99Å
1124	L	93.2	Very high	89.8	Confident	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-66	-35.4	178.5	-60.4	-171.7	0	0	0	112.9	Y744 L1107 P1108 Y1120 L1121 A1122 L1127 T1128 L1136	Y744-L1124 HydrophobicContact CE2-CB 3.85Å; Y744-L1124 HydrophobicContact CE2-CD1 4.33Å; L1107-L1124 HydrophobicContact CD1-CD1 4.11Å; L1107-L1124 HydrophobicContact CD1-CD2 3.56Å; P1108-L1124 HydrophobicContact CG-CD2 4Å; Y1120-L1124 HydrophobicContact CD1-CD1 4.18Å; Y1120-L1124 HydrophobicContact CE1-CD1 3.62Å; Y1120-L1124 HydrophobicContact CE1-CG 4.16Å; Y1120-L1124 WeakPolarHBondContact O-CG 3.45Å; Y1120-L1124 PolarHBondContact O-N 3.08Å; Y1120-L1124 VanDerWaalsContact O-N 3.13Å; L1121-L1124 PolarHBondContact O-N 3.13Å; A1122-L1124 PolarHBondContact O-N 3.26Å; L1124-L1127 HydrophobicContact CD2-CD1 4.45Å; L1124-T1128 WeakPolarHBondContact O-CB 3.38Å; L1124-T1128 WeakPolarHBondContact O-CG2 3.11Å; L1124-T1128 PolarHBondContact O-N 3.48Å; L1124-T1128 PolarHBondContact O-OG1 3Å; L1124-L1136 HydrophobicContact CD2-CD1 4.34Å; L1124-L1136 HydrophobicContact CD2-CD2 4.19Å
1125	E	92.3	Very high	90.7	Very high	15 Å²	15	12.4 Å²	12.4	7%	0.07	7%	0.065	C	C	.	.	H	α-helix	trans	-63.2	-53.4	174.9	-175.4	60.6	-145.4	0	0	109.8	Y744 W748 R777 L1047 L1121 A1122 W1123 L1127 T1128 K1129	Y744-E1125 WeakPolarHBondContact OH-CA 3.46Å; Y744-E1125 PolarHBondContact OH-N 2.9Å; Y744-E1125 PolarHBondContact OH-OE2 2.77Å; Y744-E1125 VanDerWaalsContact OH-OE2 3.05Å; W748-E1125 HydrophobicContact CZ2-CB 3.88Å; W748-E1125 HydrophobicContact CZ2-CG 4.19Å; W748-E1125 PolarHBondContact NE1-OE2 2.91Å; R777-E1125 IonicContact CZ-OE1 3.48Å; R777-E1125 IonicContact CZ-OE2 2.87Å; R777-E1125 VanDerWaalsContact NH1-CD 3.27Å; R777-E1125 IonicContact NH1-OE1 3.48Å; R777-E1125 PolarHBondContact NH1-OE1 3.26Å; R777-E1125 IonicContact NH1-OE2 2.55Å; R777-E1125 PolarHBondContact NH1-OE2 3.29Å; R777-E1125 VanDerWaalsContact NH2-CD 3.3Å; R777-E1125 IonicContact NH2-OE1 2.71Å; R777-E1125 PolarHBondContact NH2-OE1 3.36Å; R777-E1125 IonicContact NH2-OE2 2.46Å; R777-E1125 PolarHBondContact NH2-OE2 2.88Å; R777-E1125 VanDerWaalsContact NH2-OE2 3.13Å; L1047-E1125 HydrophobicContact CD1-CB 4.18Å; L1047-E1125 HydrophobicContact CD1-CG 3.79Å; L1121-E1125 WeakPolarHBondContact O-CB 3.2Å; L1121-E1125 PolarHBondContact O-N 3.46Å; A1122-E1125 PolarHBondContact O-N 2.96Å; W1123-E1125 VanDerWaalsContact C-N 3.35Å; W1123-E1125 PolarHBondContact O-N 2.69Å; E1125-L1127 PolarHBondContact O-N 3.48Å; E1125-T1128 PolarHBondContact O-N 2.97Å; E1125-T1128 VanDerWaalsContact O-N 3.1Å; E1125-K1129 WeakPolarHBondContact O-CB 3.42Å; E1125-K1129 PolarHBondContact O-N 3.2Å
1126	M	91.4	Very high	91.3	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-58.9	-44.7	178.7	-68.1	-58.3	-74.9	0	0	112.1	T1040 E1043 F1044 L1047 L1087 R1090 A1122 W1123 T1128	T1040-M1126 HydrophobicContact CG2-CE 4.05Å; E1043-M1126 HydrophobicContact CB-CE 3.97Å; E1043-M1126 HydrophobicContact CG-CE 3.76Å; E1043-M1126 HydrophobicContact CG-SD 3.94Å; E1043-M1126 WeakPolarHBondContact OE2-CE 3.36Å; F1044-M1126 HydrophobicContact CB-CE 4.08Å; F1044-M1126 HydrophobicContact CD2-CG 4.08Å; L1047-M1126 HydrophobicContact CD1-SD 4.29Å; L1087-M1126 HydrophobicContact CD2-CB 3.84Å; L1087-M1126 HydrophobicContact CD2-CE 3.61Å; L1087-M1126 HydrophobicContact CD2-CG 3.78Å; R1090-M1126 WeakPolarHBondContact CD-O 3.47Å; R1090-M1126 WeakPolarHBondContact CG-O 3.08Å; R1090-M1126 PolarHBondContact NH1-O 3.16Å; A1122-M1126 WeakPolarHBondContact O-CB 3.37Å; A1122-M1126 VanDerWaalsContact O-CG 3.3Å; A1122-M1126 WeakPolarHBondContact O-CG 3.44Å; A1122-M1126 PolarHBondContact O-N 2.91Å; W1123-M1126 PolarHBondContact O-N 3.01Å; M1126-T1128 PolarHBondContact O-N 3.44Å
1127	L	91.1	Very high	91.7	Very high	2 Å²	2	12.2 Å²	12.2	1%	0.01	6%	0.064	C	C	.	.	H	α-helix	trans	-60.6	-26.5	177.5	-74.2	168.4	0	0	0	114.3	Q1086 I1089 M1093 P1108 W1123 L1124 E1125	Q1086-L1127 HydrophobicContact CB-CD2 4.37Å; Q1086-L1127 HydrophobicContact CB-CG 4.43Å; Q1086-L1127 WeakPolarHBondContact O-CD2 3.42Å; I1089-L1127 HydrophobicContact CB-CD2 3.88Å; I1089-L1127 HydrophobicContact CG2-CD2 3.57Å; M1093-L1127 WeakPolarHBondContact CE-O 3.35Å; M1093-L1127 HydrophobicContact SD-CD2 4.45Å; P1108-L1127 HydrophobicContact CG-CD1 4.36Å; W1123-L1127 WeakPolarHBondContact O-CB 3.48Å; W1123-L1127 VanDerWaalsContact O-CG 3.25Å; W1123-L1127 WeakPolarHBondContact O-CG 3.04Å; W1123-L1127 PolarHBondContact O-N 2.99Å; L1124-L1127 HydrophobicContact CD2-CD1 4.45Å; E1125-L1127 PolarHBondContact O-N 3.48Å
1128	T	91.8	Very high	91.9	Very high	3 Å²	3	12.3 Å²	12.3	2%	0.018	6%	0.064	C	C	.	.	H	α-helix	trans	-126.9	-6.7	-165.1	66.4	0	0	0	0	115.7	R777 L1124 E1125 M1126 V1134 L1136	R777-T1128 WeakPolarHBondContact CD-OG1 3.43Å; R777-T1128 PolarHBondContact NH1-OG1 3.07Å; L1124-T1128 WeakPolarHBondContact O-CB 3.38Å; L1124-T1128 WeakPolarHBondContact O-CG2 3.11Å; L1124-T1128 PolarHBondContact O-N 3.48Å; L1124-T1128 PolarHBondContact O-OG1 3Å; E1125-T1128 PolarHBondContact O-N 2.97Å; E1125-T1128 VanDerWaalsContact O-N 3.1Å; M1126-T1128 PolarHBondContact O-N 3.44Å; T1128-V1134 HydrophobicContact CG2-CB 4.13Å; T1128-V1134 HydrophobicContact CG2-CG1 3.82Å; T1128-V1134 HydrophobicContact CG2-CG2 4.27Å; T1128-L1136 HydrophobicContact CG2-CD1 4.07Å; T1128-L1136 HydrophobicContact CG2-CD2 4.11Å; T1128-L1136 HydrophobicContact CG2-CG 4.21Å
1129	K	88.3	Confident	91.9	Very high	66 Å²	66	12.4 Å²	12.4	29%	0.287	7%	0.065	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	140.2	172.7	-174.2	-170.8	171.2	-173.5	0	110.9	E1043 R1090 E1125 M1131	E1043-K1129 IonicContact OE1-NZ 2.7Å; E1043-K1129 PolarHBondContact OE1-NZ 2.58Å; R1090-K1129 PolarHBondContact NH1-O 3.48Å; E1125-K1129 WeakPolarHBondContact O-CB 3.42Å; E1125-K1129 PolarHBondContact O-N 3.2Å; K1129-M1131 PolarHBondContact O-N 3.47Å
1130	D	88.3	Confident	91.6	Very high	107 Å²	107	13.9 Å²	13.9	57%	0.572	7%	0.073	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	8.2	-178.3	-48.3	-54.5	0	0	0	116.3	R1090 L1094	R1090-D1130 IonicContact NH2-OD2 3.43Å; R1090-D1130 PolarHBondContact NH2-OD2 3.29Å; L1094-D1130 HydrophobicContact CD2-CB 4.41Å
1131	M	90.3	Very high	91.2	Very high	11 Å²	11	14.8 Å²	14.8	5%	0.054	8%	0.077	C	C	.	.			trans	-88.2	158.4	176.6	-66.5	-62.1	-72.6	0	0	112.7	M1093 L1094 V1103 K1129 V1134	M1093-M1131 HydrophobicContact CB-CE 4.04Å; M1093-M1131 HydrophobicContact CB-SD 4.45Å; M1093-M1131 HydrophobicContact CE-CE 4.1Å; L1094-M1131 HydrophobicContact CD2-SD 3.71Å; L1094-M1131 HydrophobicContact CG-SD 4.19Å; V1103-M1131 HydrophobicContact CG1-CE 4.42Å; V1103-M1131 HydrophobicContact CG2-CE 4.02Å; K1129-M1131 PolarHBondContact O-N 3.47Å; M1131-V1134 HydrophobicContact CB-CG2 3.57Å; M1131-V1134 HydrophobicContact CG-CG2 4.35Å
1132	P	90.6	Very high	90.7	Very high	20 Å²	20	21.5 Å²	21.5	13%	0.13	11%	0.106	C	C	.	.	S	Bend	trans	-59.3	177.4	160.5	28.5	-37	0	0	0	111.3	S1097 K1098 A1100 V1103 V1134	S1097-P1132 WeakPolarHBondContact O-CG 3.42Å; K1098-P1132 WeakPolarHBondContact O-CD 3.29Å; A1100-P1132 HydrophobicContact CB-CG 4.47Å; A1100-P1132 WeakPolarHBondContact O-CB 3.45Å; A1100-P1132 WeakPolarHBondContact O-CG 3.49Å; V1103-P1132 HydrophobicContact CG2-CG 3.87Å; P1132-V1134 WeakPolarHBondContact O-CG2 3.28Å; P1132-V1134 PolarHBondContact O-N 2.97Å; P1132-V1134 VanDerWaalsContact O-N 3.09Å
1133	P	92.3	Very high	90.1	Very high	25 Å²	25	22.9 Å²	22.9	16%	0.162	12%	0.116	C	C	.	.	S	Bend	trans	-46.3	120.9	178.1	-31.8	38.3	0	0	0	113	R777 L778 L1102 V1103	R777-P1133 WeakPolarHBondContact O-CA 3.26Å; L778-P1133 HydrophobicContact CD2-CB 3.89Å; L778-P1133 HydrophobicContact CD2-CG 3.81Å; L1102-P1133 HydrophobicContact CD1-CB 4.33Å; V1103-P1133 PolarHBondContact N-O 3.17Å
1134	V	94.3	Very high	89.5	Confident	1 Å²	1	23.1 Å²	23.1	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	132.1	-177.7	-169.1	0	0	0	0	110.1	L776 R777 V1103 V1105 T1128 M1131 P1132	L776-V1134 CarbonylContact C-O 3.53Å; L776-V1134 WeakPolarHBondContact CA-O 3.27Å; R777-V1134 PolarHBondContact N-O 2.93Å; R777-V1134 PolarHBondContact O-N 3.42Å; V1103-V1134 CarbonylContact O-C 3.57Å; V1103-V1134 VanDerWaalsContact O-CA 3.27Å; V1103-V1134 WeakPolarHBondContact O-CA 3.47Å; V1105-V1134 HydrophobicContact CG1-CG1 3.62Å; T1128-V1134 HydrophobicContact CG2-CB 4.13Å; T1128-V1134 HydrophobicContact CG2-CG1 3.82Å; T1128-V1134 HydrophobicContact CG2-CG2 4.27Å; M1131-V1134 HydrophobicContact CB-CG2 3.57Å; M1131-V1134 HydrophobicContact CG-CG2 4.35Å; P1132-V1134 WeakPolarHBondContact O-CG2 3.28Å; P1132-V1134 PolarHBondContact O-N 2.97Å; P1132-V1134 VanDerWaalsContact O-N 3.09Å
1135	L	95.5	Very high	88.7	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	102.8	170.4	-175.5	70.5	0	0	0	109.1	F662 F741 A774 L776 L977 L1102 V1103 V1104 V1105 V1137	F662-L1135 HydrophobicContact CE1-CD1 3.98Å; F662-L1135 HydrophobicContact CE1-CD2 4.06Å; F662-L1135 HydrophobicContact CZ-CD1 4.5Å; F662-L1135 HydrophobicContact CZ-CD2 4.15Å; F741-L1135 HydrophobicContact CE1-CD1 4.28Å; F741-L1135 HydrophobicContact CE2-CD1 3.93Å; F741-L1135 HydrophobicContact CZ-CD1 3.47Å; F741-L1135 VanDerWaalsContact CZ-CD1 3.47Å; A774-L1135 HydrophobicContact CB-CD1 4.37Å; L776-L1135 HydrophobicContact CB-CD1 4.05Å; L776-L1135 HydrophobicContact CD1-CB 4.3Å; L776-L1135 HydrophobicContact CD1-CD1 4.1Å; L977-L1135 HydrophobicContact CD1-CD2 4.45Å; L1102-L1135 HydrophobicContact CD1-CB 4.39Å; V1103-L1135 PolarHBondContact O-N 2.91Å; V1104-L1135 VanDerWaalsContact CA-O 3.31Å; V1104-L1135 WeakPolarHBondContact CA-O 3.46Å; V1104-L1135 HydrophobicContact CG1-CD2 4.41Å; V1104-L1135 HydrophobicContact CG2-CB 4.31Å; V1104-L1135 HydrophobicContact CG2-CD2 4.41Å; V1105-L1135 PolarHBondContact N-O 3.07Å; L1135-V1137 HydrophobicContact CD2-CG2 3.78Å; L1135-V1137 HydrophobicContact CG-CG2 3.66Å
1136	L	95.5	Very high	87.6	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	127.2	170.5	-64.9	148.1	0	0	0	108.3	A774 I775 V1105 L1107 L1124 T1128	A774-L1136 CarbonylContact C-O 3.6Å; A774-L1136 VanDerWaalsContact CA-O 3.3Å; A774-L1136 WeakPolarHBondContact CA-O 3.44Å; I775-L1136 HydrophobicContact CB-CB 4.22Å; I775-L1136 HydrophobicContact CB-CD1 4.25Å; I775-L1136 PolarHBondContact N-O 3.22Å; I775-L1136 PolarHBondContact O-N 3.27Å; V1105-L1136 HydrophobicContact CG1-CD2 3.68Å; V1105-L1136 HydrophobicContact CG1-CG 4.2Å; V1105-L1136 CarbonylContact O-C 3.49Å; V1105-L1136 WeakPolarHBondContact O-CA 3.46Å; L1107-L1136 HydrophobicContact CB-CB 4.09Å; L1107-L1136 HydrophobicContact CD1-CB 3.72Å; L1107-L1136 HydrophobicContact CD1-CD1 4.17Å; L1107-L1136 HydrophobicContact CD1-CD2 4Å; L1107-L1136 HydrophobicContact CD1-CG 4.19Å; L1107-L1136 HydrophobicContact CG-CB 4.44Å; L1124-L1136 HydrophobicContact CD2-CD1 4.34Å; L1124-L1136 HydrophobicContact CD2-CD2 4.19Å; T1128-L1136 HydrophobicContact CG2-CD1 4.07Å; T1128-L1136 HydrophobicContact CG2-CD2 4.11Å; T1128-L1136 HydrophobicContact CG2-CG 4.21Å
1137	V	94.8	Very high	86.4	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	138.8	-175.8	-176.9	0	0	0	0	111.5	L773 L973 L977 V1104 V1105 T1106 L1107 L1135	L773-V1137 CarbonylContact O-C 3.52Å; L773-V1137 WeakPolarHBondContact O-CA 3.41Å; L973-V1137 HydrophobicContact CB-CG1 4.41Å; L973-V1137 HydrophobicContact CD2-CG1 4.12Å; L973-V1137 HydrophobicContact CG-CG1 3.97Å; L977-V1137 HydrophobicContact CD1-CG1 3.95Å; L977-V1137 HydrophobicContact CD1-CG2 4.03Å; V1104-V1137 HydrophobicContact CG1-CB 4.44Å; V1104-V1137 HydrophobicContact CG1-CG2 3.71Å; V1105-V1137 PolarHBondContact O-N 3.13Å; T1106-V1137 CarbonylContact C-O 3.58Å; T1106-V1137 VanDerWaalsContact CA-O 3.3Å; T1106-V1137 WeakPolarHBondContact CA-O 3.34Å; L1107-V1137 PolarHBondContact N-O 3.32Å; L1135-V1137 HydrophobicContact CD2-CG2 3.78Å; L1135-V1137 HydrophobicContact CG-CG2 3.66Å
1138	R	92.9	Very high	84.6	Confident	2 Å²	2	32.5 Å²	32.5	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	123.8	164.3	-168	65.3	-177.6	-138.7	3.5	110.5	E80 F767 G772 L773 L1107 V1109	E80-R1138 IonicContact OE1-NH1 3.26Å; E80-R1138 IonicContact OE1-NH2 2.77Å; E80-R1138 IonicContact OE2-CZ 3.72Å; E80-R1138 IonicContact OE2-NH1 3.37Å; E80-R1138 PolarHBondContact OE2-NH1 3.08Å; E80-R1138 IonicContact OE2-NH2 3.89Å; E80-R1138 PolarHBondContact OE2-NH2 3.43Å; F767-R1138 HydrophobicContact CE1-CB 4.09Å; F767-R1138 HydrophobicContact CE1-CG 4.02Å; G772-R1138 CarbonylContact C-O 3.45Å; G772-R1138 WeakPolarHBondContact CA-O 3.07Å; L773-R1138 PolarHBondContact N-O 2.95Å; L773-R1138 PolarHBondContact O-N 2.75Å; L1107-R1138 HydrophobicContact CB-CB 4.19Å; V1109-R1138 HydrophobicContact CG2-CG 4.01Å
1139	G	88.9	Confident	82.1	Confident	2 Å²	2	41.7 Å²	41.7	2%	0.021	21%	0.213	C	C	.	.			trans	-71.6	172.9	168.5	0	0	0	0	0	113.5	D970 Q1141	D970-G1139 VanDerWaalsContact O-CA 3.29Å; D970-G1139 WeakPolarHBondContact O-CA 3.42Å; D970-G1139 PolarHBondContact OD2-N 3.46Å; G1139-Q1141 VanDerWaalsContact C-N 3.31Å; G1139-Q1141 PolarHBondContact O-N 3.13Å
1140	N	85	Confident	81.8	Confident	32 Å²	32	40.5 Å²	40.5	17%	0.171	21%	0.209	C	C	.	.			trans	-95.9	25.5	-180	67.2	-4.8	0	0	0	113.3	L107 G770 K1142	L107-N1140 HydrophobicContact CD2-CB 4.28Å; G770-N1140 VanDerWaalsContact O-CB 3.25Å; G770-N1140 WeakPolarHBondContact O-CB 3.29Å; G770-N1140 PolarHBondContact O-ND2 3.06Å; N1140-K1142 PolarHBondContact O-N 3.12Å; N1140-K1142 PolarHBondContact OD1-N 2.95Å
1141	Q	82.5	Confident	81.5	Confident	18 Å²	18	36.9 Å²	36.9	8%	0.084	19%	0.19	C	C	.	.	S	Bend	trans	63.3	-2.9	-177.5	-48.8	-52.7	89.8	0	0	116.3	R104 P105 L107 L110 D969 D970 G1139	R104-Q1141 VanDerWaalsContact CD-O 3.27Å; R104-Q1141 WeakPolarHBondContact CD-O 3.5Å; R104-Q1141 HydrophobicContact CG-CB 4.48Å; R104-Q1141 PolarHBondContact NH1-O 3.39Å; P105-Q1141 WeakPolarHBondContact O-CG 3.31Å; L107-Q1141 HydrophobicContact CB-CG 4.1Å; L110-Q1141 HydrophobicContact CD1-CG 4.46Å; D969-Q1141 PolarHBondContact O-NE2 3.45Å; D970-Q1141 VanDerWaalsContact CA-OE1 3.3Å; G1139-Q1141 VanDerWaalsContact C-N 3.31Å; G1139-Q1141 PolarHBondContact O-N 3.13Å
1142	K	81.1	Confident	81	Confident	142 Å²	142	38.4 Å²	38.4	62%	0.617	20%	0.197	S	C	*	.	S	Bend	trans	-78.4	133.5	165.5	-62.1	-172.8	178.7	-175.7	0	109.4	N1140 V1144	N1140-K1142 PolarHBondContact O-N 3.12Å; N1140-K1142 PolarHBondContact OD1-N 2.95Å; K1142-V1144 PolarHBondContact O-N 3.43Å
1143	S	78.7	Confident	80.4	Confident	30 Å²	30	39.5 Å²	39.5	21%	0.21	20%	0.201	C	C	.	.			trans	-63.6	123.3	177.1	-56.5	0	0	0	0	110.2	N87 R104 V639 G971	N87-S1143 PolarHBondContact O-OG 2.98Å; N87-S1143 VanDerWaalsContact O-OG 3.08Å; R104-S1143 PolarHBondContact NH1-OG 2.87Å; V639-S1143 WeakPolarHBondContact CG1-O 3.46Å; V639-S1143 WeakPolarHBondContact CG2-O 3.41Å; G971-S1143 WeakPolarHBondContact O-CA 3.17Å
1144	V	80.1	Confident	79.7	Confident	9 Å²	9	40.4 Å²	40.4	6%	0.055	20%	0.204	C	C	.	.	S	Bend	trans	-99.7	-12.8	175.3	-58.1	0	0	0	0	112.6	V639 Y642 G971 G972 L973 L976 K1142	V639-V1144 VanDerWaalsContact CG1-C 3.42Å; Y642-V1144 HydrophobicContact CD1-CB 3.68Å; Y642-V1144 HydrophobicContact CD1-CG1 3.85Å; Y642-V1144 HydrophobicContact CD2-CB 4.44Å; Y642-V1144 HydrophobicContact CD2-CG1 3.96Å; Y642-V1144 HydrophobicContact CE1-CB 3.78Å; Y642-V1144 HydrophobicContact CE1-CG1 3.56Å; Y642-V1144 HydrophobicContact CE2-CG1 3.68Å; Y642-V1144 HydrophobicContact CG-CB 4.02Å; Y642-V1144 HydrophobicContact CG-CG1 4.04Å; Y642-V1144 VanDerWaalsContact CZ-CG1 3.46Å; G971-V1144 WeakPolarHBondContact O-CG2 3.45Å; G971-V1144 PolarHBondContact O-N 3.3Å; G972-V1144 VanDerWaalsContact C-CG2 3.48Å; L973-V1144 HydrophobicContact CB-CG2 4.33Å; L976-V1144 HydrophobicContact CB-CG2 4.2Å; L976-V1144 HydrophobicContact CD2-CB 4.12Å; L976-V1144 HydrophobicContact CD2-CG2 3.83Å; K1142-V1144 PolarHBondContact O-N 3.43Å
1145	L	77.4	Confident	78.7	Confident	28 Å²	28	43 Å²	43	15%	0.147	22%	0.217	C	C	.	.			trans	-117.9	149.1	168.5	-66.8	170.4	0	0	0	108.4	Y88 L975 L976 F1019 I1021	Y88-L1145 HydrophobicContact CD1-CB 4.35Å; Y88-L1145 WeakPolarHBondContact CD1-O 3.44Å; L975-L1145 HydrophobicContact CB-CD1 4.45Å; L975-L1145 HydrophobicContact CD2-CD1 3.82Å; L975-L1145 HydrophobicContact CG-CD1 4.33Å; L976-L1145 HydrophobicContact CD1-CD2 4.22Å; F1019-L1145 HydrophobicContact CD1-CB 4.3Å; F1019-L1145 HydrophobicContact CD2-CD1 4.33Å; F1019-L1145 HydrophobicContact CE1-CB 3.86Å; F1019-L1145 HydrophobicContact CE2-CD1 4.3Å; F1019-L1145 HydrophobicContact CZ-CB 3.98Å; I1021-L1145 HydrophobicContact CD1-CD1 4.35Å
1146	T	69.4	Low	77.5	Confident	27 Å²	27	46.1 Å²	46.1	17%	0.166	23%	0.232	C	C	.	.			trans	-152.7	144.2	170.1	50.1	0	0	0	0	108	Y88 N90 V639	Y88-T1146 WeakPolarHBondContact O-CA 3.32Å; N90-T1146 VanDerWaalsContact ND2-CB 3.33Å; N90-T1146 WeakPolarHBondContact ND2-CB 3.31Å; N90-T1146 PolarHBondContact ND2-OG1 2.66Å; N90-T1146 WeakPolarHBondContact OD1-CG2 3.44Å; V639-T1146 HydrophobicContact CB-CG2 3.87Å; V639-T1146 HydrophobicContact CG1-CG2 3.75Å; V639-T1146 HydrophobicContact CG2-CG2 4.03Å
1147	Y	66.5	Low	76.1	Confident	22 Å²	22	49.6 Å²	49.6	9%	0.086	25%	0.25	C	S	.	.	B	Isolated β-bridge	trans	-102.3	171.2	164.9	61.2	-77.3	0	0	0	110.7	A85 Y88 A89 N90 L1015 M1018 F1019 N1149	A85-Y1147 PolarHBondContact O-OH 2.65Å; Y88-Y1147 WeakPolarHBondContact O-CD1 3.42Å; Y88-Y1147 PolarHBondContact O-N 2.87Å; A89-Y1147 HydrophobicContact CB-CE1 4.47Å; N90-Y1147 PolarHBondContact ND2-O 2.98Å; L1015-Y1147 HydrophobicContact CD1-CD1 4.15Å; L1015-Y1147 HydrophobicContact CD1-CE1 3.72Å; M1018-Y1147 HydrophobicContact CB-CD2 4.26Å; M1018-Y1147 HydrophobicContact CB-CG 4.18Å; M1018-Y1147 HydrophobicContact CG-CD2 4.42Å; M1018-Y1147 HydrophobicContact SD-CD2 3.77Å; M1018-Y1147 HydrophobicContact SD-CE1 4.47Å; M1018-Y1147 HydrophobicContact SD-CE2 3.45Å; M1018-Y1147 WeakPolarHBondContact SD-CE2 3.48Å; M1018-Y1147 HydrophobicContact SD-CG 4.4Å; F1019-Y1147 HydrophobicContact CD1-CD1 4.47Å; F1019-Y1147 AromaticContact CE1-CD1 3.87Å; F1019-Y1147 HydrophobicContact CE1-CD1 3.87Å; F1019-Y1147 HydrophobicContact CZ-CD1 4.48Å; Y1147-N1149 WeakPolarHBondContact CE2-OD1 3.42Å
1148	Q	52.6	Low	74.6	Confident	138 Å²	138	53.8 Å²	53.8	65%	0.645	27%	0.271	S	S	*	.			trans	-113.4	135.3	160	-72.4	179.3	-81.7	0	0	105.9	K640	K640-Q1148 VanDerWaalsContact NZ-CD 3.28Å
1149	N	39.7	Very low	72.9	Confident	195 Å²	195	58.5 Å²	58.5	100%	1.043	30%	0.295	S	S	*	.			trans	-61.5	0	161.3	-70.2	-14.8	0	0	0	109.8	Y1147	Y1147-N1149 WeakPolarHBondContact CE2-OD1 3.42Å

Retrieved 1,149 of 1,149 residues in 693.5 ms (Link to these results)

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