FGDH_CAEEL Loading...

Isoform c of FYVE, RhoGEF and PH domain-containing protein tag-77

Canonical isoform description: Activates cdc-42, a member of the Ras-like family of Rho- and Rac proteins, by exchanging bound GDP for free GTP (By similarity). May play a role in regulating the actin cytoskeleton and cell shape (By similarity). Required for normal lifespan¹.

AlphaFold DB (X5M5R1), UniProt , Accession X5LX76-3 (canonical: X5LX76), Species CAEEL (Caenorhabditis elegans), Gene tag-77, Length 912 aa.

						>FGDH_CAEEL|X5LX76-3|tag-77
MNFELPSSSTSDVSSQNSPKCDPHPSCTTPTILVSPATSEYSNGVFFGANETNGSGVKDRARQLVNMGFVPRMQNGGTGTPSERPISQVSTLSQVSDEFDEGDTSASDEESMNSEKHLRRHRHEDDFDELPLPKNERKTTTVAATHSEIMNEMEHLFVRGGKKNNGVHKQQRRQSNIDEIPSDVGKLRDNRKGRHNSLFVSPTSGMSSSSTDDFSRITSMTSDRSSILTSHSGGEDSTDGASPVPDYETGDEKDDQRLKKLHYAAVEFLKVQNNYVQYLKEMAVLYPEYMERFGKRVGRDLLASHNGHENVVLQIKKIMVQILPIHEMLLKEIDKVCSNWDSRYPNMSKTIGTFADFLKCCQPFLDNKADFLNKLLQLRNEDKEFDEATYMFETEVFKRGKKGAVIQQLDQVHQNFMRYKLLMLRYSEYLIDDCDEKEKAQEAIQKLENVTQAVNQKMGLPTTEELTKLYYRFQCQFNVLEPGRVLIRQSEVMKQTRKELQPRYLVLFTDYLWICRVSSSGQFDINRSYRIPLEYMKFERMEEDERIRCLQIRSRVKSALIIFSSEKERNQWTDDLTKAQYDRKSYKRRQSTAVQRHDENKKKMNKLLMLTPEVPDASDLERPQLIDSRSRSMSCESQDELSSVPVTPLDNGEIDETLGFGEVTRNGSGKKPPSEMIKPVWLPDNISNECLMEGCSTEFNIINRRHHCRDCGWLICKFCKGQAPLSKYDFTKQNVCSECFDRHYKAYKDGVLFPSKNMIVQSDETILVKIGKRNDKEIVDPRKLFKAPVNYGFRHRNVEEKRAQSIVFGRVYLRSRKTETVRHALLRRDDLKLVFYKAELDSKSVLELLIYGYFYRETPLDDGWLFELVHRNQIRTDDTKDDVISFRVDNSASAKKWSAAFADKLELDPTRG
					

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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	29.8	Very low	32.2	Very low	235 Å²	235	137 Å²	137	100%	1.158	78%	0.778	S	S	*	*				0	101.3	0	-62.2	170.2	-179.5	0	0	105.1
2	N	31.8	Very low	31.9	Very low	133 Å²	133	137 Å²	137	71%	0.711	77%	0.774	S	S	*	*				93.4	131.9	56.6	-85.5	37.1	0	0	0	111.2
3	F	30.9	Very low	31.8	Very low	173 Å²	173	135.8 Å²	135.8	76%	0.759	77%	0.771	S	S	*	*			trans	68.6	141.5	177.1	-51.8	-70.5	0	0	0	114.5
4	E	30	Very low	31.5	Very low	169 Å²	169	133.6 Å²	133.6	79%	0.79	77%	0.768	S	S	*	*			cis	-151.5	166.5	1.2	-143	140	-138.9	0	0	113.5
5	L	37	Very low	31.4	Very low	152 Å²	152	131.4 Å²	131.4	80%	0.796	76%	0.764	S	S	*	*			trans	-103.5	152.4	171.3	-80.1	167.7	0	0	0	108.9
6	P	48.3	Very low	31.3	Very low	114 Å²	114	133.3 Å²	133.3	74%	0.74	76%	0.763	S	S	*	*				-130.9	163.3	68.7	16.4	7.5	0	0	0	113.2
7	S	29.1	Very low	31.2	Very low	93 Å²	93	133.9 Å²	133.9	65%	0.65	76%	0.764	S	S	*	*			cis	88.9	155.2	24.7	99	0	0	0	0	116.5
8	S	29	Very low	30.9	Very low	115 Å²	115	132.7 Å²	132.7	80%	0.804	77%	0.765	S	S	*	*			trans	77.2	143.2	-174	77.6	0	0	0	0	117.6
9	S	28.8	Very low	31.8	Very low	94 Å²	94	131.2 Å²	131.2	66%	0.657	76%	0.76	S	S	*	*			cis	-172	144.3	-22.4	50.3	0	0	0	0	112.1
10	T	30.1	Very low	31.6	Very low	133 Å²	133	134.8 Å²	134.8	82%	0.816	77%	0.766	S	S	*	*			trans	38.1	138.1	141.1	61.1	0	0	0	0	120.8
11	S	30	Very low	31.3	Very low	96 Å²	96	133.5 Å²	133.5	67%	0.671	76%	0.764	S	S	*	*			cis	-155	-162.2	22.7	63.6	0	0	0	0	111
12	D	28.1	Very low	31.2	Very low	137 Å²	137	129.6 Å²	129.6	73%	0.733	75%	0.748	S	S	*	*			cis	-153.9	175.5	8.4	-131.6	-40.2	0	0	0	116.5
13	V	31.1	Very low	31.5	Very low	121 Å²	121	129 Å²	129	73%	0.733	75%	0.752	S	S	*	*			trans	-34.6	123.3	162	165.7	0	0	0	0	115.3
14	S	27.5	Very low	31.2	Very low	105 Å²	105	129.4 Å²	129.4	73%	0.734	76%	0.755	S	S	*	*				171.4	170.4	81.9	38.3	0	0	0	0	111.7
15	S	29.3	Very low	32.1	Very low	101 Å²	101	126.4 Å²	126.4	71%	0.706	75%	0.751	S	S	*	*			cis	-172.1	170.7	-35.2	68.2	0	0	0	0	111.7
16	Q	30.5	Very low	31.5	Very low	161 Å²	161	124.4 Å²	124.4	75%	0.752	75%	0.749	S	S	*	*			trans	74.5	130.3	161.2	-78.4	-161.7	30.8	0	0	123.4
17	N	29.2	Very low	30.3	Very low	145 Å²	145	124.4 Å²	124.4	78%	0.775	75%	0.751	S	S	*	*			trans	82.8	151.5	147.3	-57.4	-20	0	0	0	121.6
18	S	26.6	Very low	30	Very low	111 Å²	111	125.7 Å²	125.7	78%	0.776	76%	0.755	S	S	*	*			trans	-146.4	-168.2	-166.4	67.9	0	0	0	0	108.4
19	P	46.7	Very low	29.7	Very low	104 Å²	104	126.2 Å²	126.2	68%	0.675	75%	0.753	S	S	*	*			cis	-130.3	173.6	-19.2	34.3	-16.7	0	0	0	113.8
20	K	27.6	Very low	29.9	Very low	203 Å²	203	127 Å²	127	88%	0.883	76%	0.756	S	S	*	*			trans	149.4	161.6	134.8	-83.4	178.3	177.7	-177.3	0	114.3
21	C	25.8	Very low	29.6	Very low	108 Å²	108	126.8 Å²	126.8	73%	0.73	76%	0.755	S	S	*	*			trans	-107.9	165.3	-176.6	-45.8	0	0	0	0	112.6
22	D	28.3	Very low	29.3	Very low	154 Å²	154	129.8 Å²	129.8	82%	0.824	76%	0.762	S	S	*	*			trans	69	154.6	154.6	-58.6	-37.3	0	0	0	116.8
23	P	36.9	Very low	29	Very low	120 Å²	120	130.8 Å²	130.8	78%	0.779	77%	0.767	S	S	*	*			cis	-148.6	-177.4	34.2	45.3	-24.8	0	0	0	119.6
24	H	25.8	Very low	28.6	Very low	181 Å²	181	131.7 Å²	131.7	84%	0.838	77%	0.772	S	S	*	*			trans	-108.6	172.1	157.3	-85.4	-50.1	0	0	0	109.2
25	P	48.7	Very low	28.5	Very low	107 Å²	107	131.7 Å²	131.7	70%	0.695	77%	0.772	S	S	*	*			cis	-137.5	-177.4	-15.2	35.9	-15.9	0	0	0	115.8
26	S	24.5	Very low	28.9	Very low	109 Å²	109	132.4 Å²	132.4	76%	0.762	77%	0.774	S	S	*	*			trans	98.6	133.6	137.6	78.6	0	0	0	0	123.9
27	C	22.1	Very low	28.6	Very low	115 Å²	115	129.2 Å²	129.2	78%	0.777	78%	0.775	S	S	*	*			trans	86	135.9	146.5	-104.2	0	0	0	0	125.5
28	T	24	Very low	28.3	Very low	119 Å²	119	129 Å²	129	73%	0.73	78%	0.779	S	S	*	*			trans	64.9	102.9	151.7	44.1	0	0	0	0	123.1
29	T	21.5	Very low	28.3	Very low	126 Å²	126	128.8 Å²	128.8	77%	0.773	78%	0.778	S	S	*	*				42	158.9	120.2	47.8	0	0	0	0	123.3
30	P	33.8	Very low	27.2	Very low	110 Å²	110	133.2 Å²	133.2	71%	0.714	79%	0.789	S	S	*	*			cis	-139.3	-166.2	-8.9	33.2	-10	0	0	0	115.5
31	T	23.2	Very low	27.2	Very low	130 Å²	130	134.3 Å²	134.3	80%	0.798	79%	0.79	S	S	*	*			trans	74.3	153.7	162	8.2	0	0	0	0	115.3
32	I	23.4	Very low	27	Very low	159 Å²	159	134.6 Å²	134.6	82%	0.815	79%	0.793	S	S	*	*			cis	-136.1	158	22.3	-71.5	-176.3	0	0	0	112.3
33	L	23	Very low	27.2	Very low	158 Å²	158	135.2 Å²	135.2	83%	0.827	80%	0.796	S	S	*	*			trans	-91.6	160.6	171	-86	161.4	0	0	0	113
34	V	22.1	Very low	26.5	Very low	140 Å²	140	132.6 Å²	132.6	85%	0.848	79%	0.791	S	S	*	*			trans	153.2	124.9	131.3	162.1	0	0	0	0	112.2
35	S	26.4	Very low	26.8	Very low	105 Å²	105	130.9 Å²	130.9	73%	0.734	79%	0.793	S	S	*	*			trans	-98.9	172.1	164.8	-35.5	0	0	0	0	109.3
36	P	36.4	Very low	25.7	Very low	116 Å²	116	134.7 Å²	134.7	75%	0.753	80%	0.799	S	S	*	*				-161.8	173.4	77.1	42.7	-22	0	0	0	118.7
37	A	23.8	Very low	25.8	Very low	94 Å²	94	139.4 Å²	139.4	78%	0.777	81%	0.806	S	S	*	*			trans	66.6	162.2	151	0	0	0	0	0	117.9
38	T	24.4	Very low	25.8	Very low	139 Å²	139	137.7 Å²	137.7	85%	0.853	81%	0.808	S	S	*	*			cis	-124.4	171.9	8.3	46.2	0	0	0	0	113.8
39	S	26.6	Very low	26.3	Very low	107 Å²	107	136.6 Å²	136.6	75%	0.748	81%	0.811	S	S	*	*			trans	-90.8	154	170.9	54.4	0	0	0	0	112.4
40	E	22.8	Very low	26.5	Very low	197 Å²	197	138.3 Å²	138.3	92%	0.921	82%	0.815	S	S	*	*			trans	-153.3	146.9	140.7	-127.5	163.1	-135.2	0	0	113
41	Y	27.6	Very low	26.4	Very low	227 Å²	227	141.2 Å²	141.2	89%	0.89	82%	0.819	S	S	*	*			trans	-103	130.7	174.8	-116.4	-95.7	0	0	0	107.9
42	S	22.7	Very low	26.6	Very low	114 Å²	114	141.7 Å²	141.7	80%	0.797	82%	0.822	S	S	*	*			trans	-139.3	124.8	167.8	54.9	0	0	0	0	111.6	G44	S42-G44 PolarHBondContact O-N 3.33Å
43	N	31.2	Very low	27.1	Very low	167 Å²	167	142.3 Å²	142.3	89%	0.893	83%	0.827	S	S	*	*			trans	-75.1	110.6	171.2	-75.4	-44.7	0	0	0	108.8
44	G	23.4	Very low	27.8	Very low	65 Å²	65	138.8 Å²	138.8	67%	0.67	83%	0.829	S	S	*	*			trans	-107.1	108.2	177.4	0	0	0	0	0	112.3	S42 F46	S42-G44 PolarHBondContact O-N 3.33Å; G44-F46 PolarHBondContact O-N 3.2Å
45	V	31.1	Very low	28.6	Very low	144 Å²	144	135.7 Å²	135.7	87%	0.873	81%	0.814	S	S	*	*			trans	-68.4	120.5	167.6	175.5	0	0	0	0	108.4
46	F	25.4	Very low	29.3	Very low	187 Å²	187	133 Å²	133	82%	0.82	80%	0.802	S	S	*	*			trans	-140.8	46.8	-175.1	-132.8	-80.9	0	0	0	115.9	G44	G44-F46 PolarHBondContact O-N 3.2Å
47	F	26.4	Very low	29.6	Very low	208 Å²	208	131.3 Å²	131.3	91%	0.912	79%	0.79	S	S	*	*			trans	-138.7	95.4	152.3	-79.2	-69.8	0	0	0	109.5
48	G	23.7	Very low	30.4	Very low	79 Å²	79	134.9 Å²	134.9	81%	0.814	79%	0.787	S	S	*	*			trans	-75.6	140.2	166.8	0	0	0	0	0	110.3
49	A	33.2	Very low	31.3	Very low	96 Å²	96	131 Å²	131	79%	0.793	76%	0.762	S	S	*	*			trans	-81.9	127.2	174.1	0	0	0	0	0	110.6
50	N	27.2	Very low	32.4	Very low	162 Å²	162	131.3 Å²	131.3	87%	0.866	75%	0.746	S	S	*	*			trans	-164.6	164.7	137.6	-103	-10.9	0	0	0	111
51	E	31.7	Very low	33.4	Very low	171 Å²	171	123.7 Å²	123.7	80%	0.799	72%	0.717	S	S	*	*			trans	-86.1	156.8	-157.5	-52.1	171	127.1	0	0	114.3
52	T	27.1	Very low	34.2	Very low	141 Å²	141	120.6 Å²	120.6	87%	0.865	70%	0.704	S	S	*	*				172.7	172	109.8	35.5	0	0	0	0	111.9
53	N	33.2	Very low	35.2	Very low	172 Å²	172	120.8 Å²	120.8	92%	0.92	69%	0.692	S	S	*	*			trans	-73	149.6	-169.9	-70.7	-47.6	0	0	0	115
54	G	38	Very low	35.9	Very low	83 Å²	83	113.1 Å²	113.1	86%	0.856	65%	0.651	S	S	*	*	S	Bend		128	2	128.2	0	0	0	0	0	123.3
55	S	38.9	Very low	36.9	Very low	76 Å²	76	113.5 Å²	113.5	53%	0.531	64%	0.641	S	S	.	*			trans	-138.2	-3.6	-179	82.5	0	0	0	0	118.7	V57 K58 D59	S55-V57 VanDerWaalsContact C-N 3.27Å; S55-V57 PolarHBondContact O-N 3.25Å; S55-K58 PolarHBondContact O-N 3.2Å; S55-D59 VanDerWaalsContact CB-OD2 3.27Å; S55-D59 WeakPolarHBondContact CB-OD2 3.49Å; S55-D59 PolarHBondContact OG-OD2 3.06Å
56	G	41.4	Very low	37.4	Very low	47 Å²	47	113.4 Å²	113.4	49%	0.485	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-59	7.2	-148.3	0	0	0	0	0	122.4	R60	G56-R60 WeakPolarHBondContact O-CD 3.36Å; G56-R60 WeakPolarHBondContact O-CG 3.12Å
57	V	42.8	Very low	38.1	Very low	82 Å²	82	109.6 Å²	109.6	50%	0.497	62%	0.621	S	S	.	*	T	Hydrogen-bonded Turn	trans	-104.7	-49.2	177.2	-176.1	0	0	0	0	112.4	S55 D59 R60 A61 T353	S55-V57 VanDerWaalsContact C-N 3.27Å; S55-V57 PolarHBondContact O-N 3.25Å; V57-D59 VanDerWaalsContact C-N 3.33Å; V57-D59 PolarHBondContact O-N 3.37Å; V57-R60 PolarHBondContact O-N 3.32Å; V57-A61 PolarHBondContact O-N 2.97Å; V57-A61 VanDerWaalsContact O-N 3.1Å; V57-T353 HydrophobicContact CG1-CG2 3.87Å
58	K	39	Very low	38.4	Very low	168 Å²	168	102.7 Å²	102.7	73%	0.73	61%	0.608	S	S	*	*	H	α-helix	trans	-67.5	-34.2	-176.6	-73.7	-175.1	176.6	179.5	0	112.4	S55 A61 R62	S55-K58 PolarHBondContact O-N 3.2Å; K58-A61 PolarHBondContact O-N 3.09Å; K58-R62 PolarHBondContact O-N 3.11Å; K58-R62 VanDerWaalsContact O-N 3.11Å
59	D	44.4	Very low	39.1	Very low	59 Å²	59	102.9 Å²	102.9	32%	0.316	59%	0.587	S	S	.	*	H	α-helix	trans	-78.1	-26.7	178.9	-58.3	-49.5	0	0	0	112.7	S55 V57 R62 Q63	S55-D59 VanDerWaalsContact CB-OD2 3.27Å; S55-D59 WeakPolarHBondContact CB-OD2 3.49Å; S55-D59 PolarHBondContact OG-OD2 3.06Å; V57-D59 VanDerWaalsContact C-N 3.33Å; V57-D59 PolarHBondContact O-N 3.37Å; D59-R62 WeakPolarHBondContact O-CB 3.47Å; D59-R62 PolarHBondContact O-N 2.9Å; D59-R62 IonicContact OD1-CZ 2.74Å; D59-R62 IonicContact OD1-NH1 2.91Å; D59-R62 PolarHBondContact OD1-NH1 2.97Å; D59-Q63 PolarHBondContact O-N 3.37Å
60	R	49.6	Very low	39.1	Very low	112 Å²	112	101.7 Å²	101.7	42%	0.423	57%	0.57	S	S	.	*	H	α-helix	trans	-68.1	-38.5	167.5	-76.6	-173.3	167.5	166.7	-0.6	112	G56 V57 R62 Q63 L64 M328 E332	G56-R60 WeakPolarHBondContact O-CD 3.36Å; G56-R60 WeakPolarHBondContact O-CG 3.12Å; V57-R60 PolarHBondContact O-N 3.32Å; R60-R62 VanDerWaalsContact C-N 3.32Å; R60-R62 PolarHBondContact O-N 3.33Å; R60-Q63 PolarHBondContact O-N 3.42Å; R60-L64 PolarHBondContact O-N 3.45Å; R60-L64 VanDerWaalsContact O-N 3.11Å; R60-M328 HydrophobicContact CB-CE 4.01Å; R60-M328 HydrophobicContact CG-CE 4.33Å; R60-E332 IonicContact CZ-OE1 2.98Å; R60-E332 IonicContact NH1-OE1 2.62Å; R60-E332 PolarHBondContact NH1-OE1 3.11Å
61	A	42.7	Very low	39.1	Very low	38 Å²	38	99.2 Å²	99.2	31%	0.314	56%	0.562	S	S	.	*	H	α-helix	trans	-62.5	-38.2	171.5	0	0	0	0	0	112.3	V57 K58 L64 V65 F357	V57-A61 PolarHBondContact O-N 2.97Å; V57-A61 VanDerWaalsContact O-N 3.1Å; K58-A61 PolarHBondContact O-N 3.09Å; A61-L64 PolarHBondContact O-N 3.05Å; A61-V65 PolarHBondContact O-N 3.25Å; A61-F357 HydrophobicContact CB-CZ 4.42Å
62	R	44.9	Very low	38.9	Very low	162 Å²	162	102.3 Å²	102.3	61%	0.611	57%	0.567	S	S	*	*	H	α-helix	trans	-63.5	-40.1	172.3	-72.3	167.5	167	162.6	-9.9	112.6	K58 D59 R60 L64 V65 N66	K58-R62 PolarHBondContact O-N 3.11Å; K58-R62 VanDerWaalsContact O-N 3.11Å; D59-R62 WeakPolarHBondContact O-CB 3.47Å; D59-R62 PolarHBondContact O-N 2.9Å; D59-R62 IonicContact OD1-CZ 2.74Å; D59-R62 IonicContact OD1-NH1 2.91Å; D59-R62 PolarHBondContact OD1-NH1 2.97Å; R60-R62 VanDerWaalsContact C-N 3.32Å; R60-R62 PolarHBondContact O-N 3.33Å; R62-L64 VanDerWaalsContact C-N 3.34Å; R62-L64 PolarHBondContact O-N 2.6Å; R62-V65 PolarHBondContact O-N 3.01Å; R62-N66 PolarHBondContact O-N 3.28Å
63	Q	43.7	Very low	39.1	Very low	118 Å²	118	103.1 Å²	103.1	55%	0.551	56%	0.563	S	S	*	*	H	α-helix	trans	-61.4	-39.9	174.3	-75.3	178.3	-29.7	0	0	112.4	D59 R60 V65 N66 M67	D59-Q63 PolarHBondContact O-N 3.37Å; R60-Q63 PolarHBondContact O-N 3.42Å; Q63-V65 VanDerWaalsContact C-N 3.35Å; Q63-V65 PolarHBondContact O-N 3.45Å; Q63-N66 PolarHBondContact O-N 2.87Å; Q63-M67 WeakPolarHBondContact O-CG 3.26Å; Q63-M67 PolarHBondContact O-N 3.09Å
64	L	45.3	Very low	38.9	Very low	5 Å²	5	103.6 Å²	103.6	3%	0.026	56%	0.559	C	S	.	*	H	α-helix	trans	-64.1	-36.5	176.5	-70.8	167.3	0	0	0	112.8	R60 A61 R62 M67 I325 M328 F357	R60-L64 PolarHBondContact O-N 3.45Å; R60-L64 VanDerWaalsContact O-N 3.11Å; A61-L64 PolarHBondContact O-N 3.05Å; R62-L64 VanDerWaalsContact C-N 3.34Å; R62-L64 PolarHBondContact O-N 2.6Å; L64-M67 HydrophobicContact CD2-CE 3.93Å; L64-I325 HydrophobicContact CD2-CG1 4.22Å; L64-M328 HydrophobicContact CD1-CE 4.09Å; L64-M328 HydrophobicContact CD2-CE 4.47Å; L64-M328 HydrophobicContact CD2-SD 3.95Å; L64-M328 HydrophobicContact CG-CE 4.28Å; L64-M328 HydrophobicContact CG-SD 4.4Å; L64-F357 HydrophobicContact CB-CE1 4.08Å; L64-F357 HydrophobicContact CD1-CD1 3.85Å; L64-F357 HydrophobicContact CD1-CE1 3.54Å; L64-F357 HydrophobicContact CD1-CZ 3.98Å; L64-F357 HydrophobicContact CG-CE1 4.43Å
65	V	45.5	Very low	38.6	Very low	74 Å²	74	107.7 Å²	107.7	45%	0.448	56%	0.562	S	S	.	*	H	α-helix	trans	-68	-43.8	172.2	175.8	0	0	0	0	111.2	A61 R62 Q63 M67 G68	A61-V65 PolarHBondContact O-N 3.25Å; R62-V65 PolarHBondContact O-N 3.01Å; Q63-V65 VanDerWaalsContact C-N 3.35Å; Q63-V65 PolarHBondContact O-N 3.45Å; V65-M67 PolarHBondContact O-N 3.05Å; V65-G68 PolarHBondContact O-N 3.3Å
66	N	41.2	Very low	38	Very low	141 Å²	141	108.1 Å²	108.1	75%	0.754	58%	0.578	S	S	*	*	H	α-helix	trans	-66.7	-20.8	180	-73.3	-0.2	0	0	0	113.7	R62 Q63 G68	R62-N66 PolarHBondContact O-N 3.28Å; Q63-N66 PolarHBondContact O-N 2.87Å; N66-G68 VanDerWaalsContact C-N 3.28Å
67	M	40.3	Very low	37.3	Very low	108 Å²	108	110 Å²	110	53%	0.532	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-85	6.7	171	-67.3	-171.7	-62.1	0	0	113.8	Q63 L64 V65 F69	Q63-M67 WeakPolarHBondContact O-CG 3.26Å; Q63-M67 PolarHBondContact O-N 3.09Å; L64-M67 HydrophobicContact CD2-CE 3.93Å; V65-M67 PolarHBondContact O-N 3.05Å; M67-F69 HydrophobicContact CB-CD2 3.71Å; M67-F69 HydrophobicContact CB-CE2 3.68Å; M67-F69 HydrophobicContact CE-CE2 4.26Å
68	G	32.3	Very low	36.8	Very low	62 Å²	62	113.2 Å²	113.2	64%	0.639	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	83	9	170.1	0	0	0	0	0	116.2	V65 N66 V70	V65-G68 PolarHBondContact O-N 3.3Å; N66-G68 VanDerWaalsContact C-N 3.28Å; G68-V70 VanDerWaalsContact C-N 3.27Å; G68-V70 PolarHBondContact O-N 2.83Å
69	F	38.1	Very low	36.1	Very low	83 Å²	83	108.7 Å²	108.7	36%	0.364	62%	0.619	S	S	.	*	S	Bend	trans	-76	-4.9	-175.6	-71.1	-79.9	0	0	0	115.2	M67 Q321	M67-F69 HydrophobicContact CB-CD2 3.71Å; M67-F69 HydrophobicContact CB-CE2 3.68Å; M67-F69 HydrophobicContact CE-CE2 4.26Å; F69-Q321 HydrophobicContact CE1-CB 4.07Å; F69-Q321 HydrophobicContact CE1-CG 4.32Å
70	V	33.2	Very low	35.2	Very low	72 Å²	72	112.6 Å²	112.6	44%	0.436	65%	0.645	S	S	.	*	S	Bend	trans	-141.9	133.4	178.5	-172.3	0	0	0	0	110.2	G68	G68-V70 VanDerWaalsContact C-N 3.27Å; G68-V70 PolarHBondContact O-N 2.83Å
71	P	28.4	Very low	35.1	Very low	110 Å²	110	113.2 Å²	113.2	71%	0.714	66%	0.663	S	S	*	*			trans	-60.6	137.3	172.7	-23.5	34.4	0	0	0	112.6	M73	P71-M73 PolarHBondContact O-N 3.28Å
72	R	27.5	Very low	34.2	Very low	235 Å²	235	115.9 Å²	115.9	89%	0.887	68%	0.68	S	S	*	*			trans	-72	95.6	177.5	-175.8	177.2	-179.3	170.3	-0.5	110.4	Q74	R72-Q74 PolarHBondContact O-N 3.03Å
73	M	29.9	Very low	33.2	Very low	159 Å²	159	116.4 Å²	116.4	78%	0.783	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-54.6	128.4	175.7	-63.7	-96.3	73.5	0	0	111	P71	P71-M73 PolarHBondContact O-N 3.28Å
74	Q	30.3	Very low	32.6	Very low	182 Å²	182	122 Å²	122	85%	0.85	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-94	137.6	164.2	-70.2	179.8	-16.8	0	0	108.5	R72	R72-Q74 PolarHBondContact O-N 3.03Å
75	N	30.1	Very low	32.2	Very low	169 Å²	169	126.9 Å²	126.9	90%	0.904	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-88.3	136.5	174.1	-83.7	-3.8	0	0	0	110.7
76	G	27.8	Very low	31.3	Very low	85 Å²	85	131 Å²	131	88%	0.876	76%	0.755	S	S	*	*			trans	132.9	138.1	162.3	0	0	0	0	0	114.3
77	G	25.9	Very low	30.6	Very low	86 Å²	86	128.6 Å²	128.6	89%	0.887	75%	0.749	S	S	*	*			trans	133.8	91.3	172.4	0	0	0	0	0	114.1
78	T	32.3	Very low	30.1	Very low	149 Å²	149	131.6 Å²	131.6	91%	0.914	76%	0.762	S	S	*	*			trans	-88.9	136.1	170.4	47.9	0	0	0	0	111.2
79	G	25.6	Very low	29.8	Very low	74 Å²	74	134.3 Å²	134.3	76%	0.763	77%	0.766	S	S	*	*			trans	177.6	125.4	169.1	0	0	0	0	0	115.9
80	T	24.8	Very low	29.3	Very low	141 Å²	141	135 Å²	135	87%	0.865	78%	0.781	S	S	*	*			trans	-154.4	163.4	166.6	55.1	0	0	0	0	108.1
81	P	46.6	Very low	29.1	Very low	125 Å²	125	136.9 Å²	136.9	81%	0.812	79%	0.793	S	S	*	*			cis	-125.7	-169.6	-18.9	38.3	-21.6	0	0	0	112.8
82	S	24	Very low	29	Very low	94 Å²	94	139.3 Å²	139.3	66%	0.657	80%	0.799	S	S	*	*			trans	130.6	159.1	141.7	-150.1	0	0	0	0	117.8
83	E	24.3	Very low	28.9	Very low	173 Å²	173	133.4 Å²	133.4	81%	0.808	79%	0.794	S	S	*	*			trans	62.6	111.9	161.6	-81.9	132.8	-97.9	0	0	123.6
84	R	30.8	Very low	28.8	Very low	235 Å²	235	133.8 Å²	133.8	89%	0.887	79%	0.794	S	S	*	*			trans	-75.8	168.7	138.1	-49.2	170.6	171.3	175.8	-4.8	108.7
85	P	37.1	Very low	28.7	Very low	107 Å²	107	131 Å²	131	70%	0.695	79%	0.788	S	S	*	*				-161.3	167.7	86.6	41.9	-22.3	0	0	0	119.2
86	I	26.3	Very low	28.5	Very low	160 Å²	160	128.1 Å²	128.1	82%	0.821	78%	0.782	S	S	*	*			trans	69.4	148.1	145.7	-74.4	162.3	0	0	0	117.2
87	S	27.3	Very low	28.6	Very low	92 Å²	92	131.1 Å²	131.1	64%	0.643	78%	0.778	S	S	*	*			cis	-137.3	148.3	15.4	81	0	0	0	0	112.2
88	Q	30.2	Very low	28.8	Very low	171 Å²	171	135.1 Å²	135.1	80%	0.799	77%	0.774	S	S	*	*				74.9	146	90.2	-64.9	-169.7	-17.6	0	0	115.9
89	V	25.4	Very low	28.6	Very low	118 Å²	118	136.7 Å²	136.7	72%	0.715	77%	0.768	S	S	*	*			cis	-164.6	157.8	3.8	106.9	0	0	0	0	114.2
90	S	27.2	Very low	28.9	Very low	98 Å²	98	139 Å²	139	69%	0.685	76%	0.763	S	S	*	*			trans	66.9	152.6	156.6	-76.9	0	0	0	0	122.5
91	T	29.1	Very low	29.2	Very low	112 Å²	112	141 Å²	141	69%	0.687	76%	0.763	S	S	*	*			cis	-167	151.4	-11.7	21.6	0	0	0	0	113.1
92	L	26.2	Very low	28.3	Very low	160 Å²	160	138.5 Å²	138.5	84%	0.838	76%	0.759	S	S	*	*			trans	59.1	145.5	147.8	-65.6	160.8	0	0	0	119.2
93	S	25.7	Very low	28.5	Very low	111 Å²	111	141.3 Å²	141.3	78%	0.776	77%	0.767	S	S	*	*			cis	-151	167	31.8	-168.6	0	0	0	0	114.4
94	Q	27.8	Very low	28.8	Very low	168 Å²	168	138.4 Å²	138.4	79%	0.785	76%	0.761	S	S	*	*			trans	-101.7	-170.2	160.8	-65.2	162.7	-104.6	0	0	108.8
95	V	27.8	Very low	28.8	Very low	122 Å²	122	132.2 Å²	132.2	74%	0.739	75%	0.754	S	S	*	*			cis	-147.2	-170.7	13.1	-128.5	0	0	0	0	107.2
96	S	27.1	Very low	28.4	Very low	110 Å²	110	131.5 Å²	131.5	77%	0.769	76%	0.757	S	S	*	*			cis	-147	176.7	17.8	-58.4	0	0	0	0	111.9
97	D	29	Very low	28.6	Very low	147 Å²	147	128.4 Å²	128.4	79%	0.786	75%	0.749	S	S	*	*			trans	-87.7	174.5	170.9	-47.2	-93.2	0	0	0	114.4
98	E	29.2	Very low	28.7	Very low	171 Å²	171	131.2 Å²	131.2	80%	0.799	76%	0.757	S	S	*	*				160.7	132.7	118.6	-82.3	-164.1	147.5	0	0	115.6
99	F	29.4	Very low	28.7	Very low	181 Å²	181	131.4 Å²	131.4	79%	0.794	76%	0.758	S	S	*	*			trans	41.2	154.6	143.4	-71.5	-103.4	0	0	0	123.9
100	D	31.5	Very low	28.8	Very low	123 Å²	123	133.8 Å²	133.8	66%	0.658	76%	0.761	S	S	*	*			cis	-175.1	166.1	-25.1	-159.8	4	0	0	0	111.4
101	E	31.9	Very low	28.8	Very low	184 Å²	184	133 Å²	133	86%	0.86	76%	0.756	S	S	*	*			trans	52.1	167.7	168.3	-58.2	-153.6	144.9	0	0	118.8
102	G	27.9	Very low	28.7	Very low	71 Å²	71	135.2 Å²	135.2	73%	0.732	76%	0.76	S	S	*	*			cis	-179.2	118.4	-10.4	0	0	0	0	0	114.5
103	D	28	Very low	28.7	Very low	154 Å²	154	133.6 Å²	133.6	82%	0.824	75%	0.753	S	S	*	*			trans	53	160.3	140.2	-145.8	7.1	0	0	0	125.2
104	T	30.3	Very low	28.7	Very low	112 Å²	112	133.9 Å²	133.9	69%	0.687	75%	0.754	S	S	*	*			trans	88.4	117.7	157.4	67.4	0	0	0	0	124
105	S	30	Very low	28.6	Very low	105 Å²	105	133.6 Å²	133.6	73%	0.734	75%	0.753	S	S	*	*			trans	64.4	110	132.4	66.5	0	0	0	0	125.4
106	A	28.8	Very low	28.7	Very low	92 Å²	92	136.8 Å²	136.8	76%	0.76	76%	0.757	S	S	*	*				84.8	146.5	108.3	0	0	0	0	0	125
107	S	29.8	Very low	28.6	Very low	95 Å²	95	139.1 Å²	139.1	66%	0.664	76%	0.755	S	S	*	*			trans	67.8	103.8	148	54.2	0	0	0	0	123.4
108	D	30.4	Very low	28.4	Very low	151 Å²	151	137.9 Å²	137.9	81%	0.807	75%	0.748	S	S	*	*				73.9	159.2	111	-52.7	-38.8	0	0	0	124.5
109	E	30.2	Very low	28.2	Very low	174 Å²	174	139.9 Å²	139.9	81%	0.813	75%	0.748	S	S	*	*			trans	72.7	113.7	166.5	-56.5	-142	155.2	0	0	117.3
110	E	27.4	Very low	28	Very low	169 Å²	169	142.5 Å²	142.5	79%	0.79	75%	0.753	S	S	*	*				78.6	148.8	93.3	-76	-123.9	174	0	0	115
111	S	26.9	Very low	27.7	Very low	82 Å²	82	146 Å²	146	57%	0.573	77%	0.765	S	S	*	*			cis	-165.2	-169.4	-26.1	62.8	0	0	0	0	108.8
112	M	26.8	Very low	27.5	Very low	158 Å²	158	145.6 Å²	145.6	78%	0.778	76%	0.755	S	S	*	*			trans	66.9	105.7	155.3	-80.8	-99.7	168.2	0	0	121.3
113	N	26.1	Very low	27.4	Very low	126 Å²	126	150.9 Å²	150.9	67%	0.674	76%	0.761	S	S	*	*				71.2	121.4	105.1	-167.4	23.6	0	0	0	121
114	S	26.4	Very low	27.4	Very low	116 Å²	116	149 Å²	149	81%	0.811	75%	0.747	S	S	*	*				-172.3	136.8	118.1	36.6	0	0	0	0	114.5
115	E	26.5	Very low	27.2	Very low	162 Å²	162	150.5 Å²	150.5	76%	0.757	75%	0.751	S	S	*	*			trans	-78.2	151.5	162.8	-51.2	168.8	98.4	0	0	111.3
116	K	29.2	Very low	27	Very low	189 Å²	189	152.3 Å²	152.3	82%	0.822	75%	0.752	S	S	*	*				-179.3	129.3	119.2	-93.6	145.6	-166.5	163.8	0	110.5
117	H	25.8	Very low	26.8	Very low	160 Å²	160	155.3 Å²	155.3	74%	0.741	75%	0.749	S	S	*	*				92.3	116.3	50.4	-174.3	75.6	0	0	0	111.8
118	L	24.6	Very low	26.7	Very low	121 Å²	121	158.4 Å²	158.4	63%	0.634	76%	0.758	S	S	*	*				165.9	134.9	129.4	-86.8	160.2	0	0	0	114.6
119	R	24.3	Very low	26.5	Very low	213 Å²	213	158.1 Å²	158.1	80%	0.804	75%	0.752	S	S	*	*			trans	51.2	114.8	145.6	-66.7	173.9	-172	-176.5	2.4	119.4
120	R	25.4	Very low	26.4	Very low	235 Å²	235	156 Å²	156	89%	0.887	75%	0.745	S	S	*	*				64.6	117.2	75.8	-76.4	-172.5	175.2	-177.7	-1.3	114.3
121	H	25.7	Very low	26.5	Very low	198 Å²	198	153.6 Å²	153.6	92%	0.917	74%	0.744	S	S	*	*				-139.7	164.2	117.7	-118	-89.5	0	0	0	109.9
122	R	26.3	Very low	26.5	Very low	174 Å²	174	156.9 Å²	156.9	66%	0.657	75%	0.754	S	S	*	*			trans	-131.7	145.8	-172.4	170.4	-163.1	-106.5	-154.4	-5.7	108.6	E124	R122-E124 VanDerWaalsContact CD-OE2 3.3Å; R122-E124 WeakPolarHBondContact CD-OE2 3.38Å; R122-E124 HydrophobicContact CG-CG 4.1Å; R122-E124 IonicContact CZ-OE1 2.68Å; R122-E124 IonicContact CZ-OE2 3.66Å; R122-E124 VanDerWaalsContact CZ-OE2 3.25Å; R122-E124 IonicContact NE-OE1 3.77Å; R122-E124 IonicContact NE-OE2 3.84Å; R122-E124 IonicContact NH1-OE1 2.86Å; R122-E124 PolarHBondContact NH1-OE1 3.35Å; R122-E124 IonicContact NH1-OE2 3.52Å; R122-E124 PolarHBondContact NH1-OE2 2.67Å; R122-E124 IonicContact NH2-OE1 3.63Å; R122-E124 PolarHBondContact NH2-OE1 3Å
123	H	26.5	Very low	26.5	Very low	183 Å²	183	155.4 Å²	155.4	85%	0.847	76%	0.757	S	S	*	*			trans	-136	151.2	144.4	-116.8	-87.4	0	0	0	108.5
124	E	27.7	Very low	26.3	Very low	115 Å²	115	159 Å²	159	54%	0.537	77%	0.767	S	S	.	*			trans	-111.6	-159.9	-178.9	-76.8	165	131.4	0	0	109.5	R122	R122-E124 VanDerWaalsContact CD-OE2 3.3Å; R122-E124 WeakPolarHBondContact CD-OE2 3.38Å; R122-E124 HydrophobicContact CG-CG 4.1Å; R122-E124 IonicContact CZ-OE1 2.68Å; R122-E124 IonicContact CZ-OE2 3.66Å; R122-E124 VanDerWaalsContact CZ-OE2 3.25Å; R122-E124 IonicContact NE-OE1 3.77Å; R122-E124 IonicContact NE-OE2 3.84Å; R122-E124 IonicContact NH1-OE1 2.86Å; R122-E124 PolarHBondContact NH1-OE1 3.35Å; R122-E124 IonicContact NH1-OE2 3.52Å; R122-E124 PolarHBondContact NH1-OE2 2.67Å; R122-E124 IonicContact NH2-OE1 3.63Å; R122-E124 PolarHBondContact NH2-OE1 3Å
125	D	26.5	Very low	26.4	Very low	143 Å²	143	161.2 Å²	161.2	77%	0.765	77%	0.769	S	S	*	*			trans	88.7	126.2	175.1	-41.4	-15.3	0	0	0	115.9
126	D	26.2	Very low	26.2	Very low	142 Å²	142	160.6 Å²	160.6	76%	0.759	77%	0.766	S	S	*	*			cis	-157.1	177.7	-30.2	-139.1	6.3	0	0	0	111.3
127	F	24.5	Very low	26.3	Very low	156 Å²	156	163.7 Å²	163.7	68%	0.684	77%	0.773	S	S	*	*			trans	-12	152.4	171.1	-85.3	-105.5	0	0	0	120.6
128	D	27.7	Very low	26.3	Very low	160 Å²	160	163.6 Å²	163.6	86%	0.856	77%	0.77	S	S	*	*			cis	-130.2	163.3	39.7	-91.9	-48.8	0	0	0	116.5
129	E	26.2	Very low	26.3	Very low	145 Å²	145	163.8 Å²	163.8	68%	0.678	78%	0.776	S	S	*	*			trans	-132	167.6	-172.3	-151.1	-153.3	160.9	0	0	113.4
130	L	27.9	Very low	26.7	Very low	129 Å²	129	160.5 Å²	160.5	68%	0.675	78%	0.78	S	S	*	*			trans	77.4	157.9	161.9	-60.6	-178.8	0	0	0	118.6
131	P	28.6	Very low	26.8	Very low	119 Å²	119	155.8 Å²	155.8	77%	0.773	78%	0.778	S	S	*	*			cis	-120.1	144.6	6.9	38.6	-25.5	0	0	0	117.2
132	L	28.3	Very low	26.9	Very low	150 Å²	150	153 Å²	153	79%	0.785	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-85.2	134	159.6	-71.7	167.5	0	0	0	110.8
133	P	25.7	Very low	27.1	Very low	128 Å²	128	149 Å²	149	83%	0.831	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-74.8	137.4	163.5	-12	28.4	0	0	0	111.1
134	K	23.4	Very low	27.5	Very low	202 Å²	202	143.6 Å²	143.6	88%	0.878	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-96.9	145.2	175.6	-71	176.8	178.8	172.2	0	111.9
135	N	28.2	Very low	28.3	Very low	161 Å²	161	141.9 Å²	141.9	86%	0.861	76%	0.763	S	S	*	*			trans	17.1	124	156.8	-68.1	-11.6	0	0	0	119.9
136	E	22.6	Very low	28.9	Very low	150 Å²	150	137.2 Å²	137.2	70%	0.701	74%	0.736	S	S	*	*			trans	-125.8	124.1	131.5	-80.3	-168	123.5	0	0	110	K138	E136-K138 WeakPolarHBondContact OE1-CE 3.36Å; E136-K138 IonicContact OE1-NZ 3.79Å; E136-K138 PolarHBondContact OE1-NZ 3.27Å; E136-K138 WeakPolarHBondContact OE2-CE 3.44Å; E136-K138 IonicContact OE2-NZ 2.68Å; E136-K138 PolarHBondContact OE2-NZ 3.47Å
137	R	30.3	Very low	29.5	Very low	254 Å²	254	133.9 Å²	133.9	96%	0.958	73%	0.725	S	S	*	*			trans	-76	121.3	156.3	-85.7	178.4	167.1	168.5	-5.1	107
138	K	26.5	Very low	30.2	Very low	158 Å²	158	131.8 Å²	131.8	69%	0.687	72%	0.717	S	S	*	*			trans	-116.8	133.6	164.5	-86.8	170.4	175.9	153.6	0	110.5	E136	E136-K138 WeakPolarHBondContact OE1-CE 3.36Å; E136-K138 IonicContact OE1-NZ 3.79Å; E136-K138 PolarHBondContact OE1-NZ 3.27Å; E136-K138 WeakPolarHBondContact OE2-CE 3.44Å; E136-K138 IonicContact OE2-NZ 2.68Å; E136-K138 PolarHBondContact OE2-NZ 3.47Å
139	T	24.6	Very low	31.1	Very low	124 Å²	124	126.4 Å²	126.4	76%	0.761	69%	0.687	S	S	*	*			trans	-78.1	166.3	-172.1	39.4	0	0	0	0	111.9	T141	T139-T141 PolarHBondContact O-N 2.94Å
140	T	32.1	Very low	32	Very low	144 Å²	144	121.9 Å²	121.9	88%	0.883	67%	0.667	S	S	*	*			trans	-39.8	119.7	171.5	46	0	0	0	0	113.4
141	T	26.9	Very low	32.7	Very low	136 Å²	136	120 Å²	120	83%	0.834	66%	0.658	S	S	*	*			trans	-104.6	137.3	166.8	39	0	0	0	0	111.7	T139	T139-T141 PolarHBondContact O-N 2.94Å
142	V	28.5	Very low	33.4	Very low	139 Å²	139	120.9 Å²	120.9	84%	0.842	65%	0.652	S	S	*	*			trans	-25.8	137.2	175.2	-172.1	0	0	0	0	115.4	A144	V142-A144 PolarHBondContact O-N 3.08Å
143	A	29.5	Very low	33.9	Very low	91 Å²	91	115.5 Å²	115.5	75%	0.752	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-67.5	120.3	168.5	0	0	0	0	0	110.6
144	A	34.9	Very low	34.6	Very low	70 Å²	70	114 Å²	114	58%	0.579	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-61.5	143.2	172.1	0	0	0	0	0	110.8	V142	V142-A144 PolarHBondContact O-N 3.08Å
145	T	44.8	Very low	35.6	Very low	78 Å²	78	111.7 Å²	111.7	48%	0.479	60%	0.597	S	S	.	*	P	Polyproline II helix	trans	-80.8	154.1	-179.1	66.5	0	0	0	0	111.4	S147 E148	T145-S147 PolarHBondContact O-N 3.2Å; T145-S147 VanDerWaalsContact O-N 3.16Å; T145-E148 WeakPolarHBondContact CB-OE2 3.37Å; T145-E148 PolarHBondContact N-OE2 2.84Å; T145-E148 PolarHBondContact O-N 3.48Å; T145-E148 PolarHBondContact OG1-OE2 2.89Å
146	H	40.5	Very low	36.2	Very low	45 Å²	45	109.4 Å²	109.4	21%	0.208	58%	0.584	C	S	.	*	H	α-helix	trans	-57.3	-34.2	-178.1	-168.2	-99.5	0	0	0	113	E148 I149 M150 D882	H146-E148 VanDerWaalsContact C-N 3.32Å; H146-E148 PolarHBondContact O-N 3.26Å; H146-I149 PolarHBondContact O-N 2.92Å; H146-M150 WeakPolarHBondContact O-CG 3.36Å; H146-M150 PolarHBondContact O-N 3.38Å; H146-M150 VanDerWaalsContact O-N 3.11Å; H146-D882 VanDerWaalsContact CE1-CB 3.5Å; H146-D882 WeakPolarHBondContact CE1-CB 3.49Å; H146-D882 IonicContact CE1-OD1 3.25Å; H146-D882 IonicContact CE1-OD2 2.81Å; H146-D882 IonicContact CG-OD2 3.05Å; H146-D882 IonicContact ND1-OD1 2.68Å; H146-D882 IonicContact ND1-OD2 2.71Å; H146-D882 PolarHBondContact ND1-OD2 3.23Å
147	S	37.4	Very low	37.1	Very low	73 Å²	73	106.3 Å²	106.3	51%	0.51	57%	0.568	S	S	.	*	H	α-helix	trans	-62.4	-34.6	177.1	-170.7	0	0	0	0	113.2	T145 M150 N151	T145-S147 PolarHBondContact O-N 3.2Å; T145-S147 VanDerWaalsContact O-N 3.16Å; S147-M150 PolarHBondContact O-N 3.41Å; S147-N151 PolarHBondContact O-N 2.98Å; S147-N151 PolarHBondContact O-ND2 2.89Å
148	E	39.4	Very low	37.5	Very low	111 Å²	111	99.8 Å²	99.8	52%	0.519	56%	0.557	S	S	.	*	H	α-helix	trans	-69.1	-40.2	177.8	-68.7	163.8	109.3	0	0	111.1	T145 H146 N151 E152	T145-E148 WeakPolarHBondContact CB-OE2 3.37Å; T145-E148 PolarHBondContact N-OE2 2.84Å; T145-E148 PolarHBondContact O-N 3.48Å; T145-E148 PolarHBondContact OG1-OE2 2.89Å; H146-E148 VanDerWaalsContact C-N 3.32Å; H146-E148 PolarHBondContact O-N 3.26Å; E148-N151 PolarHBondContact O-N 2.74Å; E148-E152 PolarHBondContact O-N 3.42Å
149	I	47.8	Very low	37.8	Very low	47 Å²	47	104.1 Å²	104.1	24%	0.241	57%	0.569	C	S	.	*	H	α-helix	trans	-62.5	-44	175.9	-57.2	175.1	0	0	0	110.6	H146 E152 M153 L846	H146-I149 PolarHBondContact O-N 2.92Å; I149-E152 PolarHBondContact O-N 3.22Å; I149-M153 WeakPolarHBondContact O-CG 3.44Å; I149-M153 PolarHBondContact O-N 3.03Å; I149-L846 HydrophobicContact CG2-CD1 3.57Å
150	M	44	Very low	38.4	Very low	50 Å²	50	101.8 Å²	101.8	25%	0.246	57%	0.569	C	S	.	*	H	α-helix	trans	-67.9	-35.4	179.6	-66.4	-65.7	-92.3	0	0	112.7	H146 S147 M153 E154 D882	H146-M150 WeakPolarHBondContact O-CG 3.36Å; H146-M150 PolarHBondContact O-N 3.38Å; H146-M150 VanDerWaalsContact O-N 3.11Å; S147-M150 PolarHBondContact O-N 3.41Å; M150-M153 PolarHBondContact O-N 2.66Å; M150-M153 HydrophobicContact SD-SD 4.18Å; M150-E154 PolarHBondContact O-N 3.42Å; M150-E154 VanDerWaalsContact O-N 3.07Å; M150-D882 WeakPolarHBondContact CE-OD1 3.36Å
151	N	43.4	Very low	38.2	Very low	91 Å²	91	98 Å²	98	49%	0.487	56%	0.558	S	S	.	*	H	α-helix	trans	-67.5	-38.6	172	-78.3	-55	0	0	0	112.4	S147 E148 M153 E154 H155	S147-N151 PolarHBondContact O-N 2.98Å; S147-N151 PolarHBondContact O-ND2 2.89Å; E148-N151 PolarHBondContact O-N 2.74Å; N151-M153 VanDerWaalsContact C-N 3.32Å; N151-M153 PolarHBondContact O-N 2.91Å; N151-E154 PolarHBondContact O-N 3.43Å; N151-H155 PolarHBondContact O-N 2.84Å; N151-H155 VanDerWaalsContact O-N 3.09Å
152	E	41.8	Very low	38.5	Very low	137 Å²	137	101.6 Å²	101.6	64%	0.64	56%	0.562	S	S	*	*	H	α-helix	trans	-64.6	-37.5	173.6	-167.1	173.7	-161.5	0	0	111.4	E148 I149 H155 L156	E148-E152 PolarHBondContact O-N 3.42Å; I149-E152 PolarHBondContact O-N 3.22Å; E152-H155 PolarHBondContact O-N 3.35Å; E152-L156 WeakPolarHBondContact O-CG 2.94Å; E152-L156 PolarHBondContact O-N 3.1Å; E152-L156 VanDerWaalsContact O-N 3.12Å
153	M	39.6	Very low	38.6	Very low	37 Å²	37	104.7 Å²	104.7	18%	0.182	56%	0.564	C	S	.	*	H	α-helix	trans	-60.7	-48.6	172	-70.1	-170.6	86.7	0	0	112.5	I149 M150 N151 H155 L156 F157 L813 L846	I149-M153 WeakPolarHBondContact O-CG 3.44Å; I149-M153 PolarHBondContact O-N 3.03Å; M150-M153 PolarHBondContact O-N 2.66Å; M150-M153 HydrophobicContact SD-SD 4.18Å; N151-M153 VanDerWaalsContact C-N 3.32Å; N151-M153 PolarHBondContact O-N 2.91Å; M153-H155 VanDerWaalsContact C-N 3.32Å; M153-H155 PolarHBondContact O-N 3.46Å; M153-L156 PolarHBondContact O-N 3.27Å; M153-L156 VanDerWaalsContact O-N 3.11Å; M153-F157 HydrophobicContact CB-CE2 4.39Å; M153-F157 WeakPolarHBondContact O-CD2 3.45Å; M153-F157 PolarHBondContact O-N 2.75Å; M153-L813 HydrophobicContact CE-CD2 4.21Å; M153-L846 HydrophobicContact CE-CD2 3.9Å; M153-L846 HydrophobicContact SD-CD1 4.13Å; M153-L846 HydrophobicContact SD-CD2 4.06Å
154	E	41.3	Very low	38.5	Very low	97 Å²	97	108.2 Å²	108.2	45%	0.453	57%	0.571	S	S	.	*	H	α-helix	trans	-62.5	-37.1	178.4	-72.6	-158.6	166.3	0	0	112.4	M150 N151 L156 F157 R816	M150-E154 PolarHBondContact O-N 3.42Å; M150-E154 VanDerWaalsContact O-N 3.07Å; N151-E154 PolarHBondContact O-N 3.43Å; E154-L156 VanDerWaalsContact C-N 3.31Å; E154-L156 PolarHBondContact O-N 3.11Å; E154-F157 PolarHBondContact O-N 2.86Å; E154-R816 IonicContact OE1-CZ 3.64Å; E154-R816 IonicContact OE1-NH1 3.53Å; E154-R816 PolarHBondContact OE1-NH1 3.28Å
155	H	43.4	Very low	38.2	Very low	152 Å²	152	112.6 Å²	112.6	70%	0.704	58%	0.584	S	S	*	*	H	α-helix	trans	-63.3	-31.8	173	-94.3	-79.9	0	0	0	114.1	N151 E152 M153	N151-H155 PolarHBondContact O-N 2.84Å; N151-H155 VanDerWaalsContact O-N 3.09Å; E152-H155 PolarHBondContact O-N 3.35Å; M153-H155 VanDerWaalsContact C-N 3.32Å; M153-H155 PolarHBondContact O-N 3.46Å
156	L	41.2	Very low	37.3	Very low	114 Å²	114	112.5 Å²	112.5	60%	0.597	60%	0.599	S	S	*	*	H	α-helix	trans	-73.1	-26.4	176.1	-72.6	170	0	0	0	113.3	E152 M153 E154	E152-L156 WeakPolarHBondContact O-CG 2.94Å; E152-L156 PolarHBondContact O-N 3.1Å; E152-L156 VanDerWaalsContact O-N 3.12Å; M153-L156 PolarHBondContact O-N 3.27Å; M153-L156 VanDerWaalsContact O-N 3.11Å; E154-L156 VanDerWaalsContact C-N 3.31Å; E154-L156 PolarHBondContact O-N 3.11Å
157	F	42.1	Very low	36.7	Very low	84 Å²	84	116.2 Å²	116.2	37%	0.368	63%	0.625	S	S	.	*	H	α-helix	trans	-74.4	-21.2	178.2	-72.9	-68	0	0	0	114	M153 E154 S815 T820	M153-F157 HydrophobicContact CB-CE2 4.39Å; M153-F157 WeakPolarHBondContact O-CD2 3.45Å; M153-F157 PolarHBondContact O-N 2.75Å; E154-F157 PolarHBondContact O-N 2.86Å; F157-S815 WeakPolarHBondContact CE2-OG 3.16Å; F157-T820 HydrophobicContact CE1-CG2 4.19Å
158	V	37.9	Very low	36.2	Very low	118 Å²	118	120.3 Å²	120.3	72%	0.715	64%	0.636	S	S	*	*	H	α-helix	trans	-82.5	-23.1	-173.7	179.3	0	0	0	0	113.7	G160	V158-G160 PolarHBondContact O-N 3.05Å
159	R	33.8	Very low	35.6	Very low	249 Å²	249	123.2 Å²	123.2	94%	0.94	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	55.2	179	-82.6	-174.5	167.5	170.1	-1.6	113.3
160	G	35.8	Very low	34.6	Very low	74 Å²	74	128 Å²	128	76%	0.763	67%	0.667	S	S	*	*	T	Hydrogen-bonded Turn	trans	-146.9	12.6	-176	0	0	0	0	0	116.8	V158	V158-G160 PolarHBondContact O-N 3.05Å
161	G	29.3	Very low	33.8	Very low	64 Å²	64	133.1 Å²	133.1	66%	0.66	69%	0.691	S	S	*	*	S	Bend	trans	-141.6	99.5	-170.9	0	0	0	0	0	116.4
162	K	32.1	Very low	32.9	Very low	212 Å²	212	139 Å²	139	92%	0.922	71%	0.706	S	S	*	*			trans	46.2	117.7	154.9	-62	179.8	179.8	178.4	0	119.5
163	K	29.8	Very low	32.1	Very low	204 Å²	204	143.9 Å²	143.9	89%	0.887	72%	0.719	S	S	*	*			trans	-131	123	140	-82.7	-167.8	176.3	-175.5	0	110.1
164	N	28.4	Very low	31.6	Very low	166 Å²	166	149.6 Å²	149.6	89%	0.888	75%	0.745	S	S	*	*			trans	-162.1	145.6	142.4	-112.4	-3.2	0	0	0	108.5
165	N	29.6	Very low	31	Very low	161 Å²	161	150 Å²	150	86%	0.861	76%	0.759	S	S	*	*			trans	-90.2	151.8	-170.1	-70.4	-11.3	0	0	0	112.6
166	G	25.9	Very low	30.2	Very low	77 Å²	77	149.1 Å²	149.1	79%	0.794	76%	0.759	S	S	*	*			trans	-161.8	124.7	165.5	0	0	0	0	0	109.2
167	V	26.2	Very low	29.5	Very low	122 Å²	122	150.4 Å²	150.4	74%	0.739	77%	0.765	S	S	*	*			trans	-116.7	119	-170.6	175.3	0	0	0	0	110.2
168	H	28.1	Very low	28.8	Very low	160 Å²	160	152.6 Å²	152.6	74%	0.741	78%	0.781	S	S	*	*				-179	136.5	123	-103.5	-61	0	0	0	115.9
169	K	25.7	Very low	28.3	Very low	172 Å²	172	155.2 Å²	155.2	75%	0.748	79%	0.785	S	S	*	*			trans	46.5	134.9	139.1	-87.3	-179.3	174.7	-179.3	0	123.7
170	Q	26.4	Very low	28.1	Very low	146 Å²	146	150.6 Å²	150.6	68%	0.682	78%	0.778	S	S	*	*			trans	108	110.5	132.7	-83.7	171.7	-87.6	0	0	122.5
171	Q	27.2	Very low	28.8	Very low	158 Å²	158	152.8 Å²	152.8	74%	0.738	78%	0.778	S	S	*	*			trans	70.4	91.7	130.1	-72.5	170.7	-41.3	0	0	122.8
172	R	24.8	Very low	28.7	Very low	215 Å²	215	155.7 Å²	155.7	81%	0.811	79%	0.788	S	S	*	*				50.2	102.7	104.3	-170.5	-166.3	-175	-174.8	3.5	120
173	R	25.8	Very low	28.6	Very low	240 Å²	240	152.8 Å²	152.8	91%	0.906	78%	0.783	S	S	*	*			trans	174.9	138.4	130.8	-99.9	168.6	167.8	-179.4	-5.3	108.3
174	Q	28.2	Very low	28.5	Very low	157 Å²	157	148.5 Å²	148.5	73%	0.734	77%	0.773	S	S	*	*			cis	100.7	96.3	9.7	-167.4	157	25.9	0	0	118
175	S	29.3	Very low	28.4	Very low	105 Å²	105	144 Å²	144	73%	0.734	77%	0.767	S	S	*	*			trans	176.7	125	149.5	49	0	0	0	0	107.8
176	N	25.7	Very low	28.4	Very low	133 Å²	133	145 Å²	145	71%	0.711	76%	0.763	S	S	*	*				67.3	139	76	-63.1	42.9	0	0	0	111.4
177	I	27.9	Very low	28.4	Very low	141 Å²	141	149 Å²	149	72%	0.723	77%	0.766	S	S	*	*			cis	-163.6	159.1	29.8	-109.6	140.9	0	0	0	106.7
178	D	27.1	Very low	28.3	Very low	130 Å²	130	154.2 Å²	154.2	70%	0.695	77%	0.772	S	S	*	*			cis	-158.7	171.2	-15.8	-80.6	-8.2	0	0	0	106
179	E	26.8	Very low	28.4	Very low	174 Å²	174	152.5 Å²	152.5	81%	0.813	77%	0.768	S	S	*	*			cis	72.2	135.6	42.4	-80.8	-176.9	-124.9	0	0	115.6
180	I	29.8	Very low	28.4	Very low	152 Å²	152	150.1 Å²	150.1	78%	0.779	76%	0.764	S	S	*	*			cis	-151	177.1	10.5	18.7	174.9	0	0	0	112.8
181	P	49.8	Very low	28.5	Very low	120 Å²	120	152.9 Å²	152.9	78%	0.779	77%	0.768	S	S	*	*			trans	-116	-178.6	-158.9	45.3	-38.9	0	0	0	119.1
182	S	27.6	Very low	28.6	Very low	124 Å²	124	154.7 Å²	154.7	87%	0.867	77%	0.773	S	S	*	*			trans	-163.8	176.5	162.5	56	0	0	0	0	116.4
183	D	30.5	Very low	28.6	Very low	151 Å²	151	147.8 Å²	147.8	81%	0.807	77%	0.769	S	S	*	*				-163.8	165.7	-69.6	-154.4	0.2	0	0	0	114.4
184	V	28.6	Very low	28.6	Very low	114 Å²	114	147.9 Å²	147.9	69%	0.691	77%	0.77	S	S	*	*			trans	56.2	123.5	159.7	-162.1	0	0	0	0	124.5
185	G	26.3	Very low	28.5	Very low	72 Å²	72	147.6 Å²	147.6	74%	0.742	77%	0.768	S	S	*	*				122.1	161.7	127.4	0	0	0	0	0	120
186	K	27.6	Very low	28.3	Very low	183 Å²	183	149.5 Å²	149.5	80%	0.796	77%	0.77	S	S	*	*			cis	-179.9	127.5	-41	-118.4	-178.4	-179.1	177.2	0	111.1
187	L	26	Very low	28.2	Very low	161 Å²	161	147.3 Å²	147.3	84%	0.843	77%	0.765	S	S	*	*			trans	66.4	156.1	161.8	-58.5	164.9	0	0	0	116.9
188	R	25.2	Very low	28	Very low	231 Å²	231	147.5 Å²	147.5	87%	0.872	77%	0.766	S	S	*	*			cis	-160.7	170.9	39	-170.9	173	178.4	-176.9	-0.9	113.5
189	D	29.5	Very low	27.8	Very low	124 Å²	124	149.9 Å²	149.9	66%	0.663	77%	0.771	S	S	*	*			trans	-85.3	167.1	-167.9	-23.6	-116.1	0	0	0	118.1
190	N	25.8	Very low	27.5	Very low	122 Å²	122	147.7 Å²	147.7	65%	0.652	77%	0.769	S	S	*	*				141.2	155.7	128.4	-79	-68.7	0	0	0	114.4
191	R	29.5	Very low	27.1	Very low	203 Å²	203	145.5 Å²	145.5	77%	0.766	77%	0.767	S	S	*	*			cis	-176.6	148	-36.5	-135.3	-175.5	-170.9	164.7	-1.5	110.3
192	K	29.2	Very low	26.7	Very low	197 Å²	197	145.4 Å²	145.4	86%	0.857	77%	0.767	S	S	*	*			trans	69.8	152.5	167.9	-50.2	165	-179	175.1	0	115.8
193	G	23.8	Very low	26.4	Very low	70 Å²	70	146.1 Å²	146.1	72%	0.722	77%	0.766	S	S	*	*			cis	141.8	163.4	-12.6	0	0	0	0	0	115.2
194	R	25.6	Very low	26.2	Very low	242 Å²	242	144.7 Å²	144.7	91%	0.913	77%	0.768	S	S	*	*			trans	78.7	149.8	175.9	-71.9	-177.1	164.7	-174.2	-5.1	118
195	H	27.2	Very low	25.9	Very low	151 Å²	151	143.2 Å²	143.2	70%	0.699	78%	0.775	S	S	*	*			cis	-179.2	156.2	-33.3	-124.5	-91	0	0	0	109.2
196	N	24.1	Very low	25.9	Very low	145 Å²	145	149 Å²	149	78%	0.775	79%	0.785	S	S	*	*			trans	68.1	161.8	155.8	-71.1	7.3	0	0	0	117
197	S	24.1	Very low	25.6	Very low	87 Å²	87	144.8 Å²	144.8	61%	0.608	78%	0.779	S	S	*	*			cis	-162.7	140.3	6.1	121.9	0	0	0	0	113
198	L	23.8	Very low	25.5	Very low	144 Å²	144	141.9 Å²	141.9	75%	0.754	77%	0.772	S	S	*	*			trans	51.3	151	131.1	-42.1	177.5	0	0	0	120.4
199	F	22.2	Very low	25.4	Very low	180 Å²	180	135.9 Å²	135.9	79%	0.789	77%	0.766	S	S	*	*			cis	-169.8	-178.2	-13.8	-126.1	-56.2	0	0	0	109.5
200	V	21.8	Very low	25.1	Very low	129 Å²	129	134.7 Å²	134.7	78%	0.782	77%	0.767	S	S	*	*			trans	92.6	136.5	158.3	-165.5	0	0	0	0	118.6
201	S	21.2	Very low	25	Very low	105 Å²	105	134 Å²	134	73%	0.734	77%	0.767	S	S	*	*			trans	-130.8	-147.7	175.6	-40.4	0	0	0	0	108.2
202	P	40.5	Very low	24.8	Very low	118 Å²	118	131.6 Å²	131.6	77%	0.766	77%	0.77	S	S	*	*			cis	-127	171.7	-49.3	37.2	-23.9	0	0	0	112.8
203	T	22.9	Very low	24.6	Very low	139 Å²	139	129.3 Å²	129.3	85%	0.853	77%	0.767	S	S	*	*			trans	-150.5	118	155	25.5	0	0	0	0	114.7
204	S	26	Very low	24.7	Very low	122 Å²	122	134.6 Å²	134.6	85%	0.853	77%	0.77	S	S	*	*			trans	22.8	127.5	146	58.6	0	0	0	0	123
205	G	22.6	Very low	24.7	Very low	82 Å²	82	127.4 Å²	127.4	85%	0.845	76%	0.757	S	S	*	*			trans	178.4	124.3	155.4	0	0	0	0	0	113.6
206	M	24.4	Very low	24.8	Very low	193 Å²	193	131.4 Å²	131.4	95%	0.951	77%	0.766	S	S	*	*			trans	-107.3	166.8	173.8	-47.7	175.7	72.3	0	0	108.9
207	S	22.8	Very low	24.9	Very low	96 Å²	96	131.3 Å²	131.3	67%	0.671	76%	0.764	S	S	*	*			cis	-159	167	14.2	58.9	0	0	0	0	113.4
208	S	23.3	Very low	24.9	Very low	99 Å²	99	132.4 Å²	132.4	69%	0.692	77%	0.767	S	S	*	*			trans	63.2	123.3	142.2	59.4	0	0	0	0	124
209	S	22.4	Very low	25.1	Very low	105 Å²	105	130.5 Å²	130.5	73%	0.734	77%	0.766	S	S	*	*			trans	84.2	108.5	131.6	65.5	0	0	0	0	123.9
210	S	23	Very low	25.4	Very low	99 Å²	99	130 Å²	130	69%	0.692	77%	0.769	S	S	*	*				79.7	129.3	126.2	68.4	0	0	0	0	123
211	T	25.1	Very low	25.7	Very low	107 Å²	107	127.5 Å²	127.5	66%	0.656	75%	0.754	S	S	*	*			trans	57.6	110.3	149.4	56.2	0	0	0	0	119.4
212	D	25	Very low	26	Very low	153 Å²	153	126.3 Å²	126.3	82%	0.818	75%	0.745	S	S	*	*				-172.9	100.5	95.4	-97.4	-18.9	0	0	0	111.7
213	D	25	Very low	25.4	Very low	150 Å²	150	128 Å²	128	80%	0.802	75%	0.748	S	S	*	*			trans	-111	83.2	174.1	-158.1	-9	0	0	0	109.9
214	F	25	Very low	25.9	Very low	180 Å²	180	129.4 Å²	129.4	79%	0.789	74%	0.737	S	S	*	*			trans	-148.1	57.1	-169.2	-116.4	-75.1	0	0	0	113.1
215	S	26.1	Very low	26.1	Very low	91 Å²	91	126.1 Å²	126.1	64%	0.636	72%	0.715	S	S	*	*			trans	-119.9	0.9	-171.6	59.4	0	0	0	0	116.3
216	R	28.8	Very low	26.3	Very low	236 Å²	236	127.6 Å²	127.6	89%	0.891	71%	0.712	S	S	*	*	S	Bend	trans	-116.6	21.7	-171	-64.9	-167.8	-179.1	-168.9	2.4	117.1
217	I	27.3	Very low	26.5	Very low	142 Å²	142	123.8 Å²	123.8	73%	0.728	69%	0.694	S	S	*	*			trans	-127.2	55.7	177.7	-42.3	-177.4	0	0	0	112.4
218	T	24.5	Very low	27	Very low	110 Å²	110	122.6 Å²	122.6	68%	0.675	68%	0.68	S	S	*	*			trans	-145.7	54.3	171.7	38.6	0	0	0	0	112.3
219	S	26.6	Very low	27.5	Very low	105 Å²	105	122.5 Å²	122.5	73%	0.734	68%	0.675	S	S	*	*			trans	-145.9	108.2	161.6	-173.4	0	0	0	0	112.1
220	M	28.1	Very low	27.8	Very low	170 Å²	170	122 Å²	122	84%	0.837	67%	0.671	S	S	*	*	S	Bend	trans	-179.1	117.9	164.2	-97	-89	92.8	0	0	105.2
221	T	28.3	Very low	28.1	Very low	76 Å²	76	126.7 Å²	126.7	47%	0.466	68%	0.682	S	S	.	*	S	Bend	trans	81.9	146	-162.6	71.7	0	0	0	0	115.2	R530	T221-R530 PolarHBondContact O-NH2 3.3Å; T221-R530 PolarHBondContact OG1-NE 3.16Å; T221-R530 PolarHBondContact OG1-NH2 2.85Å
222	S	27.7	Very low	28.4	Very low	79 Å²	79	127 Å²	127	55%	0.552	69%	0.689	S	S	*	*			trans	65.5	56	-175.9	78.1	0	0	0	0	118.6	R224 R530	S222-R224 VanDerWaalsContact C-N 3.31Å; S222-R224 PolarHBondContact O-N 3.04Å; S222-R530 VanDerWaalsContact CB-NH2 3.26Å; S222-R530 PolarHBondContact OG-NH1 2.9Å; S222-R530 VanDerWaalsContact OG-NH1 3.17Å; S222-R530 PolarHBondContact OG-NH2 2.74Å
223	D	28.2	Very low	28.6	Very low	154 Å²	154	123.8 Å²	123.8	82%	0.824	69%	0.691	S	S	*	*			trans	-69.9	84	156.8	-67.4	-53.2	0	0	0	110.9
224	R	34	Very low	28.6	Very low	169 Å²	169	120.5 Å²	120.5	64%	0.638	69%	0.693	S	S	*	*	S	Bend	trans	175.7	76	156.7	-102.2	176	-171.9	-162.2	4.7	112.4	S222	S222-R224 VanDerWaalsContact C-N 3.31Å; S222-R224 PolarHBondContact O-N 3.04Å
225	S	30.6	Very low	29.2	Very low	53 Å²	53	121.6 Å²	121.6	37%	0.371	70%	0.701	S	S	.	*	S	Bend	trans	175.6	41.4	147	61.5	0	0	0	0	114.7	Q476	S225-Q476 WeakPolarHBondContact OG-CA 3.23Å; S225-Q476 PolarHBondContact OG-O 2.93Å; S225-Q476 VanDerWaalsContact OG-O 3.04Å
226	S	25.7	Very low	29.2	Very low	113 Å²	113	124.7 Å²	124.7	79%	0.79	71%	0.71	S	S	*	*			trans	-135.4	99.4	177.7	56.5	0	0	0	0	111.3
227	I	30	Very low	29.7	Very low	112 Å²	112	118.2 Å²	118.2	57%	0.574	70%	0.701	S	S	*	*			trans	-138.7	149.3	170.9	-57	179.1	0	0	0	106.5	Y263	I227-Y263 HydrophobicContact CD1-CE1 4Å; I227-Y263 HydrophobicContact CG2-CE2 4.08Å
228	L	31.5	Very low	29.8	Very low	71 Å²	71	117.9 Å²	117.9	37%	0.372	71%	0.706	S	S	.	*			trans	76.5	127.6	-166.3	-51.4	166.5	0	0	0	111.7	Q256 K260	L228-Q256 HydrophobicContact CD1-CG 3.78Å; L228-K260 HydrophobicContact CD1-CG 4.34Å
229	T	34.2	Very low	30.2	Very low	98 Å²	98	119.9 Å²	119.9	60%	0.601	71%	0.712	S	S	*	*			cis	-157.1	160.9	-2.4	19.9	0	0	0	0	108.5
230	S	29.2	Very low	30.5	Very low	93 Å²	93	119.3 Å²	119.3	65%	0.65	72%	0.723	S	S	*	*			cis	179.6	142.9	-29	46.8	0	0	0	0	109.1
231	H	29.1	Very low	31	Very low	199 Å²	199	115.3 Å²	115.3	92%	0.921	72%	0.717	S	S	*	*			trans	-153.6	158.5	155.6	-99.2	-62.3	0	0	0	111.9
232	S	31.6	Very low	31.9	Very low	114 Å²	114	116.5 Å²	116.5	80%	0.797	73%	0.728	S	S	*	*			trans	-82.4	145.3	-161.8	49.9	0	0	0	0	116.4
233	G	28.6	Very low	33.3	Very low	84 Å²	84	118.4 Å²	118.4	87%	0.866	74%	0.739	S	S	*	*			trans	116.6	114.3	150.9	0	0	0	0	0	115.9
234	G	25.7	Very low	35.2	Very low	82 Å²	82	113.1 Å²	113.1	85%	0.845	71%	0.712	S	S	*	*			trans	131	114.5	171.1	0	0	0	0	0	113.2
235	E	37.6	Very low	37	Very low	202 Å²	202	107.7 Å²	107.7	94%	0.944	70%	0.699	S	S	*	*			trans	-89.1	124.9	172.8	-60.9	177.3	134.4	0	0	110.1
236	D	26.7	Very low	38.9	Very low	157 Å²	157	109.6 Å²	109.6	84%	0.84	71%	0.705	S	S	*	*			trans	-156.4	169	149.7	-158.5	5.1	0	0	0	110.6
237	S	38.6	Very low	41.2	Very low	99 Å²	99	104.3 Å²	104.3	69%	0.692	67%	0.667	S	S	*	*			trans	-108.8	133.9	-148.1	-43.9	0	0	0	0	113
238	T	29.6	Very low	43.1	Very low	135 Å²	135	106.8 Å²	106.8	83%	0.828	68%	0.677	S	S	*	*			trans	-165.4	136.4	148.6	2.5	0	0	0	0	114.5
239	D	32.9	Very low	45.1	Very low	152 Å²	152	106.2 Å²	106.2	81%	0.813	68%	0.676	S	S	*	*	S	Bend	trans	45.9	79.3	154.3	-66.9	6.7	0	0	0	120.5	A241	D239-A241 PolarHBondContact O-N 3.07Å; D239-A241 VanDerWaalsContact O-N 3.17Å
240	G	32.7	Very low	46.6	Very low	93 Å²	93	105.4 Å²	105.4	96%	0.959	69%	0.688	S	S	*	*				76.7	18.1	120	0	0	0	0	0	119
241	A	39.3	Very low	48.9	Very low	86 Å²	86	104.8 Å²	104.8	71%	0.711	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-102.8	134.9	161.9	0	0	0	0	0	109.7	D239	D239-A241 PolarHBondContact O-N 3.07Å; D239-A241 VanDerWaalsContact O-N 3.17Å
242	S	46.8	Very low	51.2	Low	101 Å²	101	102.8 Å²	102.8	71%	0.706	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-56.2	137.4	166.6	-56.2	0	0	0	0	109.2	V244	S242-V244 PolarHBondContact O-N 2.95Å
243	P	57.2	Low	53.5	Low	120 Å²	120	105.1 Å²	105.1	78%	0.779	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-53.6	127.6	172.6	-25.2	34.5	0	0	0	109.7	P245	P243-P245 WeakPolarHBondContact O-CD 3.11Å
244	V	67.9	Low	56	Low	42 Å²	42	103.5 Å²	103.5	26%	0.255	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-63.6	122.4	174.7	-179.7	0	0	0	0	106.8	S242 D246 Y247 K259 H262 Y263	S242-V244 PolarHBondContact O-N 2.95Å; V244-D246 PolarHBondContact O-N 3.06Å; V244-Y247 HydrophobicContact CG1-CE2 4.28Å; V244-K259 HydrophobicContact CG1-CG 4.14Å; V244-H262 HydrophobicContact CG1-CB 4.22Å; V244-Y263 HydrophobicContact CG2-CE1 3.74Å
245	P	71.4	Confident	58.6	Low	56 Å²	56	100.6 Å²	100.6	36%	0.364	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-54.8	143.2	-179.8	-26.1	34.7	0	0	0	110.7	P243 Y247	P243-P245 WeakPolarHBondContact O-CD 3.11Å; P245-Y247 HydrophobicContact CB-CE1 4.36Å; P245-Y247 HydrophobicContact CB-CE2 4.42Å; P245-Y247 VanDerWaalsContact O-CD2 3.28Å; P245-Y247 WeakPolarHBondContact O-CD2 3.41Å; P245-Y247 WeakPolarHBondContact O-CE2 3.23Å
246	D	70.3	Confident	60.7	Low	92 Å²	92	93.6 Å²	93.6	49%	0.492	57%	0.568	S	S	.	*	P	Polyproline II helix	trans	-74.7	136.9	156.3	-137.1	-43.2	0	0	0	108.7	V244 E248 K259	V244-D246 PolarHBondContact O-N 3.06Å; D246-E248 HydrophobicContact CB-CG 4.37Å; D246-K259 VanDerWaalsContact OD1-CE 3.32Å; D246-K259 WeakPolarHBondContact OD1-CE 3.49Å; D246-K259 IonicContact OD1-NZ 3.8Å; D246-K259 PolarHBondContact OD1-NZ 3.45Å; D246-K259 IonicContact OD2-NZ 3.86Å; D246-K259 PolarHBondContact OD2-NZ 3.07Å
247	Y	73.8	Confident	63.6	Low	2 Å²	2	88.3 Å²	88.3	1%	0.008	54%	0.536	C	S	.	.			trans	-96.2	-22.3	-170.7	-71.3	-81	0	0	0	111.8	V244 P245 T249 D255 L258 K259 H262 D341 S342 R343	V244-Y247 HydrophobicContact CG1-CE2 4.28Å; P245-Y247 HydrophobicContact CB-CE1 4.36Å; P245-Y247 HydrophobicContact CB-CE2 4.42Å; P245-Y247 VanDerWaalsContact O-CD2 3.28Å; P245-Y247 WeakPolarHBondContact O-CD2 3.41Å; P245-Y247 WeakPolarHBondContact O-CE2 3.23Å; Y247-T249 PolarHBondContact O-N 3.2Å; Y247-D255 WeakPolarHBondContact CB-OD1 3.3Å; Y247-L258 HydrophobicContact CD1-CB 4.19Å; Y247-L258 HydrophobicContact CD1-CD1 4.01Å; Y247-L258 HydrophobicContact CD2-CB 3.7Å; Y247-L258 HydrophobicContact CE2-CB 4.04Å; Y247-L258 HydrophobicContact CG-CB 3.79Å; Y247-L258 HydrophobicContact CG-CD1 3.82Å; Y247-L258 HydrophobicContact CG-CG 4.45Å; Y247-K259 HydrophobicContact CD2-CG 3.96Å; Y247-K259 HydrophobicContact CE2-CG 4.03Å; Y247-H262 PolarHBondContact OH-ND1 2.77Å; Y247-D341 WeakPolarHBondContact CE1-OD1 3.34Å; Y247-S342 PolarHBondContact OH-OG 3.14Å; Y247-R343 HydrophobicContact CD1-CG 4.3Å; Y247-R343 VanDerWaalsContact O-CZ 3.31Å; Y247-R343 PolarHBondContact O-NH1 3.35Å; Y247-R343 PolarHBondContact O-NH2 3.18Å
248	E	70.2	Confident	65.8	Low	165 Å²	165	83.8 Å²	83.8	77%	0.771	50%	0.504	S	S	*	.			trans	50.9	38.3	172.9	-59.6	-172.5	169.5	0	0	112.9	D246 G250 D255	D246-E248 HydrophobicContact CB-CG 4.37Å; E248-G250 PolarHBondContact O-N 3.11Å; E248-D255 PolarHBondContact N-OD1 3.32Å; E248-D255 PolarHBondContact N-OD2 2.92Å
249	T	73.1	Confident	68.4	Low	58 Å²	58	79.1 Å²	79.1	36%	0.356	47%	0.472	S	S	.	.			trans	-70.1	-17.7	-178.4	56.1	0	0	0	0	113.7	Y247 D251 D255 L258	Y247-T249 PolarHBondContact O-N 3.2Å; T249-D251 VanDerWaalsContact C-N 3.34Å; T249-D251 PolarHBondContact OG1-O 2.68Å; T249-D255 VanDerWaalsContact CB-OD1 3.31Å; T249-D255 WeakPolarHBondContact CB-OD1 3.47Å; T249-D255 VanDerWaalsContact CG2-OD1 3.28Å; T249-D255 WeakPolarHBondContact CG2-OD1 3.35Å; T249-D255 PolarHBondContact N-OD1 2.59Å; T249-D255 PolarHBondContact OG1-N 2.76Å; T249-D255 PolarHBondContact OG1-OD1 2.74Å; T249-L258 HydrophobicContact CG2-CD1 3.54Å
250	G	66.4	Low	70.8	Confident	82 Å²	82	75.6 Å²	75.6	85%	0.845	45%	0.45	S	S	*	.	S	Bend	trans	87	-7	-174.5	0	0	0	0	0	114.9	E248	E248-G250 PolarHBondContact O-N 3.11Å
251	D	77.9	Confident	73.4	Confident	79 Å²	79	71.1 Å²	71.1	42%	0.422	40%	0.404	S	S	.	.			trans	-115.9	117.8	166.1	-175.4	-4.8	0	0	0	109.9	T249 K253 D254 D255	T249-D251 VanDerWaalsContact C-N 3.34Å; T249-D251 PolarHBondContact OG1-O 2.68Å; D251-K253 PolarHBondContact O-N 2.65Å; D251-K253 VanDerWaalsContact O-N 3.1Å; D251-K253 WeakPolarHBondContact OD1-CB 3.25Å; D251-K253 PolarHBondContact OD1-N 3.12Å; D251-D254 HydrophobicContact CB-CB 4.3Å; D251-D254 PolarHBondContact O-N 3.48Å; D251-D255 PolarHBondContact O-N 3.49Å
252	E	77.4	Confident	75.6	Confident	157 Å²	157	67.9 Å²	67.9	73%	0.734	37%	0.374	S	S	*	.	H	α-helix	trans	-52.6	-32.5	175.6	-171	-174.6	178.9	0	0	112.2	Q256	E252-Q256 VanDerWaalsContact O-CB 3.24Å; E252-Q256 WeakPolarHBondContact O-CB 3.3Å; E252-Q256 PolarHBondContact O-N 3.34Å
253	K	79.2	Confident	77.3	Confident	164 Å²	164	67 Å²	67	71%	0.713	36%	0.356	S	S	*	.	H	α-helix	trans	-71.5	-39.9	178.6	-63.5	170.5	-175.1	164.1	0	112.3	D251 Q256 R257	D251-K253 PolarHBondContact O-N 2.65Å; D251-K253 VanDerWaalsContact O-N 3.1Å; D251-K253 WeakPolarHBondContact OD1-CB 3.25Å; D251-K253 PolarHBondContact OD1-N 3.12Å; K253-Q256 PolarHBondContact O-N 3.46Å; K253-R257 PolarHBondContact O-N 3.09Å
254	D	80.9	Confident	78.6	Confident	49 Å²	49	61.4 Å²	61.4	26%	0.262	32%	0.32	S	S	.	.	H	α-helix	trans	-76.9	-40.7	-178.9	-153	63.3	0	0	0	111.2	D251 Q256 R257 L258	D251-D254 HydrophobicContact CB-CB 4.3Å; D251-D254 PolarHBondContact O-N 3.48Å; D254-Q256 PolarHBondContact O-N 2.77Å; D254-R257 CarbonylContact O-C 3.56Å; D254-R257 WeakPolarHBondContact O-CA 3.47Å; D254-R257 WeakPolarHBondContact O-CB 3.14Å; D254-R257 PolarHBondContact O-N 2.98Å; D254-R257 IonicContact OD1-CZ 3.62Å; D254-R257 IonicContact OD1-NE 3.07Å; D254-R257 PolarHBondContact OD1-NE 3.34Å; D254-R257 IonicContact OD1-NH2 3.35Å; D254-R257 PolarHBondContact OD1-NH2 3.15Å; D254-R257 IonicContact OD2-CZ 3.5Å; D254-R257 IonicContact OD2-NH2 3.44Å; D254-R257 PolarHBondContact OD2-NH2 2.79Å; D254-L258 WeakPolarHBondContact O-CG 3.3Å; D254-L258 PolarHBondContact O-N 3.24Å
255	D	81.2	Confident	79.5	Confident	21 Å²	21	59.4 Å²	59.4	11%	0.112	31%	0.307	C	S	.	.	H	α-helix	trans	-55.6	-41.8	167.9	-82.6	1.2	0	0	0	111.3	Y247 E248 T249 D251 R257 L258 K259	Y247-D255 WeakPolarHBondContact CB-OD1 3.3Å; E248-D255 PolarHBondContact N-OD1 3.32Å; E248-D255 PolarHBondContact N-OD2 2.92Å; T249-D255 VanDerWaalsContact CB-OD1 3.31Å; T249-D255 WeakPolarHBondContact CB-OD1 3.47Å; T249-D255 VanDerWaalsContact CG2-OD1 3.28Å; T249-D255 WeakPolarHBondContact CG2-OD1 3.35Å; T249-D255 PolarHBondContact N-OD1 2.59Å; T249-D255 PolarHBondContact OG1-N 2.76Å; T249-D255 PolarHBondContact OG1-OD1 2.74Å; D251-D255 PolarHBondContact O-N 3.49Å; D255-R257 PolarHBondContact O-N 3.16Å; D255-L258 PolarHBondContact O-N 2.95Å; D255-K259 WeakPolarHBondContact O-CB 3.44Å; D255-K259 WeakPolarHBondContact O-CD 3.29Å; D255-K259 WeakPolarHBondContact O-CG 3.06Å; D255-K259 PolarHBondContact O-N 3Å
256	Q	80.8	Confident	80.2	Confident	56 Å²	56	59 Å²	59	26%	0.262	30%	0.304	S	S	.	.	H	α-helix	trans	-68.9	-31	176	-155.3	-171.5	93.9	0	0	112.6	L228 E252 K253 D254 K260	L228-Q256 HydrophobicContact CD1-CG 3.78Å; E252-Q256 VanDerWaalsContact O-CB 3.24Å; E252-Q256 WeakPolarHBondContact O-CB 3.3Å; E252-Q256 PolarHBondContact O-N 3.34Å; K253-Q256 PolarHBondContact O-N 3.46Å; D254-Q256 PolarHBondContact O-N 2.77Å; Q256-K260 WeakPolarHBondContact O-CD 3.44Å; Q256-K260 WeakPolarHBondContact O-CG 3.18Å; Q256-K260 PolarHBondContact O-N 2.86Å; Q256-K260 VanDerWaalsContact O-N 3.09Å
257	R	87.4	Confident	80.9	Confident	45 Å²	45	56 Å²	56	17%	0.17	29%	0.287	C	S	.	.	H	α-helix	trans	-68.7	-47.1	172.1	-175.8	-172.7	62.1	74.6	5.8	111.3	K253 D254 D255 K259 K260 L261 Y429	K253-R257 PolarHBondContact O-N 3.09Å; D254-R257 CarbonylContact O-C 3.56Å; D254-R257 WeakPolarHBondContact O-CA 3.47Å; D254-R257 WeakPolarHBondContact O-CB 3.14Å; D254-R257 PolarHBondContact O-N 2.98Å; D254-R257 IonicContact OD1-CZ 3.62Å; D254-R257 IonicContact OD1-NE 3.07Å; D254-R257 PolarHBondContact OD1-NE 3.34Å; D254-R257 IonicContact OD1-NH2 3.35Å; D254-R257 PolarHBondContact OD1-NH2 3.15Å; D254-R257 IonicContact OD2-CZ 3.5Å; D254-R257 IonicContact OD2-NH2 3.44Å; D254-R257 PolarHBondContact OD2-NH2 2.79Å; D255-R257 PolarHBondContact O-N 3.16Å; R257-K259 VanDerWaalsContact C-N 3.34Å; R257-K259 PolarHBondContact O-N 3.49Å; R257-K260 WeakPolarHBondContact O-CB 3.46Å; R257-K260 PolarHBondContact O-N 3.19Å; R257-K260 VanDerWaalsContact O-N 3.16Å; R257-L261 WeakPolarHBondContact O-CB 3.41Å; R257-L261 PolarHBondContact O-N 3.4Å; R257-Y429 WeakPolarHBondContact CD-O 3.27Å; R257-Y429 WeakPolarHBondContact CG-O 3.33Å; R257-Y429 PolarHBondContact NH1-O 3.3Å
258	L	85.4	Confident	81.6	Confident	4 Å²	4	56 Å²	56	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-63.7	-37.7	178.6	-67	173.2	0	0	0	112.1	Y247 T249 D254 D255 L261 H262 S342	Y247-L258 HydrophobicContact CD1-CB 4.19Å; Y247-L258 HydrophobicContact CD1-CD1 4.01Å; Y247-L258 HydrophobicContact CD2-CB 3.7Å; Y247-L258 HydrophobicContact CE2-CB 4.04Å; Y247-L258 HydrophobicContact CG-CB 3.79Å; Y247-L258 HydrophobicContact CG-CD1 3.82Å; Y247-L258 HydrophobicContact CG-CG 4.45Å; T249-L258 HydrophobicContact CG2-CD1 3.54Å; D254-L258 WeakPolarHBondContact O-CG 3.3Å; D254-L258 PolarHBondContact O-N 3.24Å; D255-L258 PolarHBondContact O-N 2.95Å; L258-L261 PolarHBondContact O-N 3.38Å; L258-H262 PolarHBondContact O-N 2.9Å; L258-S342 VanDerWaalsContact CD2-O 3.25Å; L258-S342 WeakPolarHBondContact CD2-O 3.42Å; L258-S342 WeakPolarHBondContact O-CB 3.41Å; L258-S342 PolarHBondContact O-OG 3.09Å
259	K	83.3	Confident	82.4	Confident	37 Å²	37	49.8 Å²	49.8	16%	0.161	26%	0.259	C	S	.	.	H	α-helix	trans	-65.6	-41.7	171.7	-70.1	165.5	-171.1	174.4	0	111.5	V244 D246 Y247 D255 R257 H262 Y263	V244-K259 HydrophobicContact CG1-CG 4.14Å; D246-K259 VanDerWaalsContact OD1-CE 3.32Å; D246-K259 WeakPolarHBondContact OD1-CE 3.49Å; D246-K259 IonicContact OD1-NZ 3.8Å; D246-K259 PolarHBondContact OD1-NZ 3.45Å; D246-K259 IonicContact OD2-NZ 3.86Å; D246-K259 PolarHBondContact OD2-NZ 3.07Å; Y247-K259 HydrophobicContact CD2-CG 3.96Å; Y247-K259 HydrophobicContact CE2-CG 4.03Å; D255-K259 WeakPolarHBondContact O-CB 3.44Å; D255-K259 WeakPolarHBondContact O-CD 3.29Å; D255-K259 WeakPolarHBondContact O-CG 3.06Å; D255-K259 PolarHBondContact O-N 3Å; R257-K259 VanDerWaalsContact C-N 3.34Å; R257-K259 PolarHBondContact O-N 3.49Å; K259-H262 PolarHBondContact O-N 3.29Å; K259-Y263 WeakPolarHBondContact O-CD2 3.44Å; K259-Y263 PolarHBondContact O-N 3.34Å; K259-Y263 VanDerWaalsContact O-N 3.12Å
260	K	84.3	Confident	83	Confident	78 Å²	78	51.5 Å²	51.5	34%	0.339	26%	0.262	S	S	.	.	H	α-helix	trans	-63.4	-41.7	172.6	-73.4	164.2	-171	163	0	112.7	L228 Q256 R257 Y263 A264 Y429	L228-K260 HydrophobicContact CD1-CG 4.34Å; Q256-K260 WeakPolarHBondContact O-CD 3.44Å; Q256-K260 WeakPolarHBondContact O-CG 3.18Å; Q256-K260 PolarHBondContact O-N 2.86Å; Q256-K260 VanDerWaalsContact O-N 3.09Å; R257-K260 WeakPolarHBondContact O-CB 3.46Å; R257-K260 PolarHBondContact O-N 3.19Å; R257-K260 VanDerWaalsContact O-N 3.16Å; K260-Y263 PolarHBondContact O-N 2.66Å; K260-A264 PolarHBondContact O-N 2.96Å; K260-Y429 HydrophobicContact CB-CD1 4.32Å; K260-Y429 HydrophobicContact CB-CD2 3.77Å; K260-Y429 HydrophobicContact CB-CE2 3.94Å; K260-Y429 HydrophobicContact CB-CG 4Å
261	L	87.2	Confident	83.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-41.5	176.7	-177.4	57.8	0	0	0	111.8	R257 L258 A264 A265 W340 P345 Y426 L430	R257-L261 WeakPolarHBondContact O-CB 3.41Å; R257-L261 PolarHBondContact O-N 3.4Å; L258-L261 PolarHBondContact O-N 3.38Å; L261-A264 PolarHBondContact O-N 2.87Å; L261-A265 PolarHBondContact O-N 3.17Å; L261-W340 HydrophobicContact CG-CZ2 4.36Å; L261-P345 HydrophobicContact CD2-CB 4.16Å; L261-P345 HydrophobicContact CD2-CG 4.29Å; L261-Y426 HydrophobicContact CD1-CD2 3.64Å; L261-Y426 HydrophobicContact CD1-CE2 3.62Å; L261-Y426 HydrophobicContact CD1-CG 4.38Å; L261-L430 HydrophobicContact CD1-CD2 3.92Å; L261-L430 HydrophobicContact CD2-CD2 3.99Å
262	H	84.8	Confident	84.5	Confident	18 Å²	18	44.7 Å²	44.7	8%	0.083	21%	0.206	C	C	.	.	H	α-helix	trans	-58.4	-48.8	172.2	-171.3	110.1	0	0	0	111.3	V244 Y247 L258 K259 A264 A265 V266 W340 S342	V244-H262 HydrophobicContact CG1-CB 4.22Å; Y247-H262 PolarHBondContact OH-ND1 2.77Å; L258-H262 PolarHBondContact O-N 2.9Å; K259-H262 PolarHBondContact O-N 3.29Å; H262-A264 VanDerWaalsContact C-N 3.29Å; H262-A264 PolarHBondContact O-N 3.17Å; H262-A265 PolarHBondContact O-N 3.37Å; H262-V266 WeakPolarHBondContact O-CG2 3.48Å; H262-V266 PolarHBondContact O-N 2.9Å; H262-W340 AromaticContact CE1-CD1 3.98Å; H262-W340 AromaticContact ND1-CD1 3.44Å; H262-W340 AromaticContact ND1-NE1 3.99Å; H262-S342 PolarHBondContact N-OG 3Å
263	Y	84.4	Confident	85.1	Confident	81 Å²	81	41.3 Å²	41.3	32%	0.318	19%	0.193	S	C	.	.	H	α-helix	trans	-63.4	-32.6	177.7	-69.8	-55.3	0	0	0	113.3	I227 V244 K259 K260 E267	I227-Y263 HydrophobicContact CD1-CE1 4Å; I227-Y263 HydrophobicContact CG2-CE2 4.08Å; V244-Y263 HydrophobicContact CG2-CE1 3.74Å; K259-Y263 WeakPolarHBondContact O-CD2 3.44Å; K259-Y263 PolarHBondContact O-N 3.34Å; K259-Y263 VanDerWaalsContact O-N 3.12Å; K260-Y263 PolarHBondContact O-N 2.66Å; Y263-E267 PolarHBondContact O-N 2.72Å
264	A	83.4	Confident	85.4	Confident	3 Å²	3	36.7 Å²	36.7	3%	0.025	18%	0.176	C	C	.	.	H	α-helix	trans	-67.3	-44.2	173.8	0	0	0	0	0	111.9	K260 L261 H262 E267 F268 Y426 Y429	K260-A264 PolarHBondContact O-N 2.96Å; L261-A264 PolarHBondContact O-N 2.87Å; H262-A264 VanDerWaalsContact C-N 3.29Å; H262-A264 PolarHBondContact O-N 3.17Å; A264-E267 PolarHBondContact O-N 2.87Å; A264-F268 WeakPolarHBondContact O-CD2 3.49Å; A264-F268 PolarHBondContact O-N 2.91Å; A264-Y426 HydrophobicContact CB-CD2 4.44Å; A264-Y429 HydrophobicContact CB-CD2 4.16Å; A264-Y429 HydrophobicContact CB-CE2 4.23Å
265	A	86.8	Confident	85.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-60.2	-46.4	174.1	0	0	0	0	0	111.8	L261 H262 E267 F268 W340 M347	L261-A265 PolarHBondContact O-N 3.17Å; H262-A265 PolarHBondContact O-N 3.37Å; A265-E267 VanDerWaalsContact C-N 3.27Å; A265-E267 PolarHBondContact O-N 3.18Å; A265-F268 WeakPolarHBondContact O-CB 3.16Å; A265-F268 PolarHBondContact O-N 3.34Å; A265-F268 VanDerWaalsContact O-N 3.17Å; A265-W340 HydrophobicContact CB-CD2 3.79Å; A265-W340 HydrophobicContact CB-CE3 3.88Å; A265-W340 HydrophobicContact CB-CH2 3.78Å; A265-W340 HydrophobicContact CB-CZ2 3.65Å; A265-W340 HydrophobicContact CB-CZ3 3.89Å; A265-M347 HydrophobicContact CB-CE 4.19Å
266	V	86.1	Confident	86.2	Confident	48 Å²	48	33.7 Å²	33.7	29%	0.291	16%	0.16	S	C	.	.	H	α-helix	trans	-65.6	-27.3	176.3	174.4	0	0	0	0	112.2	H262 F268 L269 K270	H262-V266 WeakPolarHBondContact O-CG2 3.48Å; H262-V266 PolarHBondContact O-N 2.9Å; V266-F268 VanDerWaalsContact C-N 3.33Å; V266-F268 PolarHBondContact O-N 3.11Å; V266-L269 PolarHBondContact O-N 2.92Å; V266-K270 WeakPolarHBondContact O-CB 3.49Å; V266-K270 PolarHBondContact O-N 2.89Å
267	E	84.8	Confident	86.6	Confident	29 Å²	29	34.8 Å²	34.8	14%	0.136	17%	0.165	C	C	.	.	H	α-helix	trans	-63.2	-36.3	173.3	-164.2	178.8	168.1	0	0	111.9	Y263 A264 A265 K270 V271 R418 L422 R425	Y263-E267 PolarHBondContact O-N 2.72Å; A264-E267 PolarHBondContact O-N 2.87Å; A265-E267 VanDerWaalsContact C-N 3.27Å; A265-E267 PolarHBondContact O-N 3.18Å; E267-K270 PolarHBondContact O-N 3.03Å; E267-V271 HydrophobicContact CG-CG2 4.04Å; E267-V271 VanDerWaalsContact O-CB 3.31Å; E267-V271 WeakPolarHBondContact O-CB 3.34Å; E267-V271 VanDerWaalsContact O-CG2 3.25Å; E267-V271 WeakPolarHBondContact O-CG2 3.48Å; E267-V271 PolarHBondContact O-N 3.44Å; E267-R418 IonicContact OE1-CZ 2.74Å; E267-R418 IonicContact OE1-NE 3.97Å; E267-R418 IonicContact OE1-NH2 3.31Å; E267-R418 PolarHBondContact OE1-NH2 3.22Å; E267-L422 HydrophobicContact CB-CD2 4.09Å; E267-L422 HydrophobicContact CG-CD2 3.63Å; E267-R425 IonicContact OE2-CZ 3.96Å; E267-R425 IonicContact OE2-NH1 3.3Å; E267-R425 PolarHBondContact OE2-NH1 3.47Å
268	F	87.9	Confident	86.7	Confident	3 Å²	3	32.7 Å²	32.7	1%	0.013	16%	0.157	C	C	.	.	H	α-helix	trans	-59.6	-51.7	174.8	-75.8	-85.2	0	0	0	112.2	A264 A265 V266 K270 V271 Q272 I333 M347 I351 L422 M423 Y426	A264-F268 WeakPolarHBondContact O-CD2 3.49Å; A264-F268 PolarHBondContact O-N 2.91Å; A265-F268 WeakPolarHBondContact O-CB 3.16Å; A265-F268 PolarHBondContact O-N 3.34Å; A265-F268 VanDerWaalsContact O-N 3.17Å; V266-F268 VanDerWaalsContact C-N 3.33Å; V266-F268 PolarHBondContact O-N 3.11Å; F268-K270 VanDerWaalsContact C-N 3.31Å; F268-K270 PolarHBondContact O-N 2.88Å; F268-V271 PolarHBondContact O-N 3.06Å; F268-Q272 VanDerWaalsContact O-CB 3.27Å; F268-Q272 WeakPolarHBondContact O-CB 3.3Å; F268-Q272 PolarHBondContact O-N 2.96Å; F268-I333 HydrophobicContact CB-CD1 4.46Å; F268-I333 HydrophobicContact CB-CG2 4.07Å; F268-M347 HydrophobicContact CB-CE 4.28Å; F268-M347 HydrophobicContact CB-SD 4.37Å; F268-M347 HydrophobicContact CD2-CE 4.42Å; F268-M347 HydrophobicContact CD2-CG 3.82Å; F268-M347 HydrophobicContact CD2-SD 4.39Å; F268-M347 HydrophobicContact CE2-CG 3.87Å; F268-M347 HydrophobicContact CG-CG 4.26Å; F268-M347 HydrophobicContact CG-SD 4.36Å; F268-M347 HydrophobicContact CZ-CG 4.35Å; F268-I351 HydrophobicContact CD1-CD1 3.64Å; F268-I351 HydrophobicContact CD1-CG1 3.98Å; F268-I351 HydrophobicContact CE1-CD1 3.82Å; F268-I351 HydrophobicContact CE1-CG1 3.69Å; F268-I351 HydrophobicContact CE1-CG2 4.49Å; F268-I351 HydrophobicContact CG-CD1 4.46Å; F268-I351 HydrophobicContact CZ-CG1 4.24Å; F268-L422 HydrophobicContact CD1-CB 3.94Å; F268-L422 HydrophobicContact CD1-CD1 3.79Å; F268-L422 HydrophobicContact CD2-CB 4.46Å; F268-L422 HydrophobicContact CE1-CB 3.4Å; F268-L422 VanDerWaalsContact CE1-CB 3.4Å; F268-L422 HydrophobicContact CE1-CD1 4.07Å; F268-L422 HydrophobicContact CE1-CG 4.39Å; F268-L422 HydrophobicContact CE2-CB 4Å; F268-L422 HydrophobicContact CG-CB 4.45Å; F268-L422 HydrophobicContact CG-CD1 4.3Å; F268-L422 HydrophobicContact CZ-CB 3.46Å; F268-L422 VanDerWaalsContact CZ-CB 3.46Å; F268-M423 HydrophobicContact CE1-CE 4.26Å; F268-M423 HydrophobicContact CZ-CB 4.33Å; F268-M423 HydrophobicContact CZ-CE 3.76Å; F268-M423 HydrophobicContact CZ-SD 4.45Å; F268-Y426 HydrophobicContact CE2-CD2 4.41Å; F268-Y426 HydrophobicContact CE2-CG 4.39Å
269	L	88.4	Confident	86.9	Confident	34 Å²	34	32.5 Å²	32.5	18%	0.178	16%	0.156	C	C	.	.	H	α-helix	trans	-58	-46.6	178.5	177.3	55.8	0	0	0	111	V266 V271 Q272 N273 L330 I333 D334 C337	V266-L269 PolarHBondContact O-N 2.92Å; L269-V271 PolarHBondContact O-N 2.97Å; L269-Q272 PolarHBondContact O-N 2.97Å; L269-N273 WeakPolarHBondContact O-CB 3.16Å; L269-N273 PolarHBondContact O-N 3.04Å; L269-L330 HydrophobicContact CD1-CD1 3.7Å; L269-I333 HydrophobicContact CB-CG2 3.84Å; L269-I333 HydrophobicContact CD1-CG2 4.33Å; L269-D334 HydrophobicContact CD1-CB 3.84Å; L269-C337 HydrophobicContact CD2-CB 3.8Å
270	K	85.4	Confident	87.2	Confident	94 Å²	94	34.2 Å²	34.2	41%	0.409	16%	0.164	S	C	.	.	H	α-helix	trans	-63	-41.3	-179.1	-168.2	169.7	-172	164	0	112.1	V266 E267 F268 N274	V266-K270 WeakPolarHBondContact O-CB 3.49Å; V266-K270 PolarHBondContact O-N 2.89Å; E267-K270 PolarHBondContact O-N 3.03Å; F268-K270 VanDerWaalsContact C-N 3.31Å; F268-K270 PolarHBondContact O-N 2.88Å; K270-N274 PolarHBondContact O-N 3.46Å; K270-N274 PolarHBondContact O-ND2 3.41Å
271	V	85.8	Confident	87.5	Confident	17 Å²	17	31 Å²	31	10%	0.103	15%	0.15	C	C	.	.	H	α-helix	trans	-68.2	-49.6	174.5	163.6	0	0	0	0	110.8	E267 F268 L269 N273 N274 Y275 R418 L422	E267-V271 HydrophobicContact CG-CG2 4.04Å; E267-V271 VanDerWaalsContact O-CB 3.31Å; E267-V271 WeakPolarHBondContact O-CB 3.34Å; E267-V271 VanDerWaalsContact O-CG2 3.25Å; E267-V271 WeakPolarHBondContact O-CG2 3.48Å; E267-V271 PolarHBondContact O-N 3.44Å; F268-V271 PolarHBondContact O-N 3.06Å; L269-V271 PolarHBondContact O-N 2.97Å; V271-N273 PolarHBondContact O-N 3.26Å; V271-N274 PolarHBondContact O-N 3.25Å; V271-Y275 PolarHBondContact O-N 3.03Å; V271-R418 HydrophobicContact CG1-CG 4.47Å; V271-R418 VanDerWaalsContact CG2-NE 3.33Å; V271-L422 HydrophobicContact CB-CD1 4.18Å; V271-L422 HydrophobicContact CG1-CD1 4.12Å; V271-L422 HydrophobicContact CG2-CD1 4.15Å
272	Q	90.1	Very high	87.5	Confident	0 Å²	0	31 Å²	31	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-63.1	-42	-176	-173.6	67.4	6.8	0	0	112.3	F268 L269 Y275 V276 H326 L329 L330 I333 Y419	F268-Q272 VanDerWaalsContact O-CB 3.27Å; F268-Q272 WeakPolarHBondContact O-CB 3.3Å; F268-Q272 PolarHBondContact O-N 2.96Å; L269-Q272 PolarHBondContact O-N 2.97Å; Q272-Y275 PolarHBondContact O-N 3.47Å; Q272-V276 WeakPolarHBondContact O-CG2 3.39Å; Q272-V276 PolarHBondContact O-N 3.34Å; Q272-H326 PolarHBondContact NE2-ND1 3.3Å; Q272-H326 PolarHBondContact NE2-O 2.91Å; Q272-L329 HydrophobicContact CG-CG 4.5Å; Q272-L330 HydrophobicContact CB-CD1 4.07Å; Q272-L330 HydrophobicContact CG-CB 3.75Å; Q272-L330 HydrophobicContact CG-CD1 3.83Å; Q272-L330 HydrophobicContact CG-CG 4.36Å; Q272-I333 HydrophobicContact CB-CD1 4.09Å; Q272-I333 HydrophobicContact CG-CD1 4.1Å; Q272-Y419 PolarHBondContact OE1-OH 3.35Å
273	N	89.1	Confident	87.7	Confident	87 Å²	87	30.2 Å²	30.2	47%	0.465	15%	0.146	S	C	.	.	H	α-helix	trans	-61	-47.6	176.7	-175.9	-59.1	0	0	0	111.1	L269 V271 Y275 V276 Q277 L330	L269-N273 WeakPolarHBondContact O-CB 3.16Å; L269-N273 PolarHBondContact O-N 3.04Å; V271-N273 PolarHBondContact O-N 3.26Å; N273-Y275 VanDerWaalsContact C-N 3.29Å; N273-Y275 PolarHBondContact O-N 2.99Å; N273-V276 PolarHBondContact O-N 3.42Å; N273-Q277 WeakPolarHBondContact O-CB 3.37Å; N273-Q277 PolarHBondContact O-N 3Å; N273-L330 HydrophobicContact CB-CD1 4.05Å
274	N	85.9	Confident	87.9	Confident	67 Å²	67	28.9 Å²	28.9	36%	0.358	15%	0.147	S	C	.	.	H	α-helix	trans	-61.9	-35.4	175.6	-80.5	-80.4	0	0	0	112.4	K270 V271 Y278	K270-N274 PolarHBondContact O-N 3.46Å; K270-N274 PolarHBondContact O-ND2 3.41Å; V271-N274 PolarHBondContact O-N 3.25Å; N274-Y278 PolarHBondContact O-N 3.34Å
275	Y	89.1	Confident	88.1	Confident	1 Å²	1	32.2 Å²	32.2	0%	0.004	16%	0.164	C	C	.	.	H	α-helix	trans	-72.3	-44.5	177.7	-174.5	-141.4	0	0	0	113.2	V271 Q272 N273 Q277 Y278 L279 H326 Q411 V412 N415	V271-Y275 PolarHBondContact O-N 3.03Å; Q272-Y275 PolarHBondContact O-N 3.47Å; N273-Y275 VanDerWaalsContact C-N 3.29Å; N273-Y275 PolarHBondContact O-N 2.99Å; Y275-Q277 VanDerWaalsContact C-N 3.26Å; Y275-Q277 PolarHBondContact O-N 3.3Å; Y275-Y278 AromaticContact CD2-CD1 3.52Å; Y275-Y278 HydrophobicContact CD2-CD1 3.52Å; Y275-Y278 HydrophobicContact CD2-CE1 4.15Å; Y275-Y278 HydrophobicContact CD2-CG 4.42Å; Y275-Y278 AromaticContact CE2-CD1 3.54Å; Y275-Y278 HydrophobicContact CE2-CD1 3.54Å; Y275-Y278 AromaticContact CE2-CE1 3.68Å; Y275-Y278 HydrophobicContact CE2-CE1 3.68Å; Y275-Y278 WeakPolarHBondContact O-CB 3.1Å; Y275-Y278 PolarHBondContact O-N 2.93Å; Y275-Y278 VanDerWaalsContact O-N 3.16Å; Y275-L279 HydrophobicContact CD1-CD1 4.21Å; Y275-L279 HydrophobicContact CD2-CD1 4.41Å; Y275-L279 HydrophobicContact CD2-CG 4.17Å; Y275-L279 HydrophobicContact CE1-CD1 3.89Å; Y275-L279 HydrophobicContact CE2-CD1 4.13Å; Y275-L279 HydrophobicContact CE2-CD2 3.97Å; Y275-L279 HydrophobicContact CE2-CG 3.86Å; Y275-L279 HydrophobicContact CG-CD1 4.45Å; Y275-L279 WeakPolarHBondContact O-CG 3.45Å; Y275-L279 PolarHBondContact O-N 2.95Å; Y275-H326 AromaticContact CD1-ND1 3.57Å; Y275-H326 AromaticContact CE1-CE1 3.54Å; Y275-H326 AromaticContact CE1-CG 3.75Å; Y275-H326 AromaticContact CE1-ND1 3.4Å; Y275-H326 WeakPolarHBondContact CE1-ND1 3.27Å; Y275-H326 AromaticContact CE1-NE2 3.91Å; Y275-Q411 HydrophobicContact CD2-CG 4.13Å; Y275-Q411 HydrophobicContact CE2-CG 4.49Å; Y275-V412 HydrophobicContact CE2-CG2 4.3Å; Y275-N415 VanDerWaalsContact CB-ND2 3.35Å; Y275-N415 WeakPolarHBondContact CB-ND2 3.49Å; Y275-N415 HydrophobicContact CD1-CB 3.87Å; Y275-N415 HydrophobicContact CD2-CB 4.1Å; Y275-N415 WeakPolarHBondContact CD2-ND2 3.36Å; Y275-N415 HydrophobicContact CE1-CB 4.05Å; Y275-N415 HydrophobicContact CE2-CB 4.26Å; Y275-N415 HydrophobicContact CG-CB 3.91Å
276	V	90.9	Very high	88.2	Confident	5 Å²	5	32.3 Å²	32.3	3%	0.03	16%	0.164	C	C	.	.	H	α-helix	trans	-59.9	-39.7	174.1	166.9	0	0	0	0	110.9	Q272 N273 L279 K280 L323 H326 E327 L330	Q272-V276 WeakPolarHBondContact O-CG2 3.39Å; Q272-V276 PolarHBondContact O-N 3.34Å; N273-V276 PolarHBondContact O-N 3.42Å; V276-L279 PolarHBondContact O-N 3.38Å; V276-K280 HydrophobicContact CG1-CD 4.43Å; V276-K280 WeakPolarHBondContact O-CG 3.36Å; V276-K280 PolarHBondContact O-N 3.46Å; V276-L323 HydrophobicContact CG1-CD1 4.16Å; V276-H326 HydrophobicContact CG2-CB 3.98Å; V276-H326 WeakPolarHBondContact CG2-O 3.49Å; V276-E327 HydrophobicContact CG1-CG 3.85Å; V276-L330 HydrophobicContact CB-CD2 4.06Å; V276-L330 HydrophobicContact CG1-CD2 4.12Å; V276-L330 HydrophobicContact CG2-CB 4.18Å; V276-L330 HydrophobicContact CG2-CD2 4.02Å
277	Q	89.2	Confident	88.4	Confident	79 Å²	79	30.1 Å²	30.1	37%	0.369	15%	0.151	S	C	.	.	H	α-helix	trans	-64.4	-42.2	174.7	179.6	56.1	28.1	0	0	112.2	N273 Y275 K280 E281	N273-Q277 WeakPolarHBondContact O-CB 3.37Å; N273-Q277 PolarHBondContact O-N 3Å; Y275-Q277 VanDerWaalsContact C-N 3.26Å; Y275-Q277 PolarHBondContact O-N 3.3Å; Q277-K280 PolarHBondContact O-N 2.93Å; Q277-E281 WeakPolarHBondContact CG-OE1 3.49Å; Q277-E281 PolarHBondContact NE2-OE1 3.29Å; Q277-E281 VanDerWaalsContact O-CG 3.31Å; Q277-E281 WeakPolarHBondContact O-CG 3.44Å; Q277-E281 PolarHBondContact O-N 3.31Å
278	Y	88.9	Confident	88.6	Confident	1 Å²	1	31.7 Å²	31.7	0%	0.004	16%	0.158	C	C	.	.	H	α-helix	trans	-59.3	-44.5	171.1	153.1	-90.7	0	0	0	112.3	N274 Y275 K280 E281 M282 M319 Q408 Q411 V412	N274-Y278 PolarHBondContact O-N 3.34Å; Y275-Y278 AromaticContact CD2-CD1 3.52Å; Y275-Y278 HydrophobicContact CD2-CD1 3.52Å; Y275-Y278 HydrophobicContact CD2-CE1 4.15Å; Y275-Y278 HydrophobicContact CD2-CG 4.42Å; Y275-Y278 AromaticContact CE2-CD1 3.54Å; Y275-Y278 HydrophobicContact CE2-CD1 3.54Å; Y275-Y278 AromaticContact CE2-CE1 3.68Å; Y275-Y278 HydrophobicContact CE2-CE1 3.68Å; Y275-Y278 WeakPolarHBondContact O-CB 3.1Å; Y275-Y278 PolarHBondContact O-N 2.93Å; Y275-Y278 VanDerWaalsContact O-N 3.16Å; Y278-K280 VanDerWaalsContact C-N 3.28Å; Y278-K280 PolarHBondContact O-N 3.1Å; Y278-E281 WeakPolarHBondContact O-CB 3.5Å; Y278-E281 PolarHBondContact O-N 3.36Å; Y278-E281 VanDerWaalsContact O-N 3.16Å; Y278-M282 HydrophobicContact CD2-CG 3.84Å; Y278-M282 HydrophobicContact CE2-CB 4.37Å; Y278-M282 HydrophobicContact CE2-CG 3.28Å; Y278-M282 HydrophobicContact CE2-SD 4.38Å; Y278-M282 PolarHBondContact O-N 3.46Å; Y278-M319 HydrophobicContact CE1-SD 4.47Å; Y278-M319 WeakPolarHBondContact OH-CE 3.29Å; Y278-Q408 HydrophobicContact CD2-CB 4.29Å; Y278-Q408 VanDerWaalsContact CD2-OE1 3.32Å; Y278-Q408 HydrophobicContact CE2-CB 3.87Å; Y278-Q408 WeakPolarHBondContact CE2-O 3.38Å; Y278-Q408 VanDerWaalsContact CZ-O 3.23Å; Y278-Q408 PolarHBondContact OH-O 3.31Å; Y278-Q411 HydrophobicContact CD1-CB 4.13Å; Y278-Q411 HydrophobicContact CD1-CG 3.85Å; Y278-Q411 HydrophobicContact CD2-CB 3.96Å; Y278-Q411 HydrophobicContact CD2-CG 4Å; Y278-Q411 HydrophobicContact CE1-CB 4Å; Y278-Q411 HydrophobicContact CE1-CG 4.21Å; Y278-Q411 HydrophobicContact CE2-CB 3.8Å; Y278-Q411 HydrophobicContact CE2-CG 4.34Å; Y278-Q411 HydrophobicContact CG-CB 4.12Å; Y278-Q411 HydrophobicContact CG-CG 3.74Å; Y278-V412 HydrophobicContact CE1-CG2 3.86Å
279	L	89.9	Confident	88.6	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-62.4	-37.4	-180	-72.8	171.3	0	0	0	111	Y275 V276 A283 M319 I322 L323 H326	Y275-L279 HydrophobicContact CD1-CD1 4.21Å; Y275-L279 HydrophobicContact CD2-CD1 4.41Å; Y275-L279 HydrophobicContact CD2-CG 4.17Å; Y275-L279 HydrophobicContact CE1-CD1 3.89Å; Y275-L279 HydrophobicContact CE2-CD1 4.13Å; Y275-L279 HydrophobicContact CE2-CD2 3.97Å; Y275-L279 HydrophobicContact CE2-CG 3.86Å; Y275-L279 HydrophobicContact CG-CD1 4.45Å; Y275-L279 WeakPolarHBondContact O-CG 3.45Å; Y275-L279 PolarHBondContact O-N 2.95Å; V276-L279 PolarHBondContact O-N 3.38Å; L279-A283 WeakPolarHBondContact O-CB 3.45Å; L279-A283 PolarHBondContact O-N 3.28Å; L279-M319 HydrophobicContact CD2-SD 3.62Å; L279-I322 HydrophobicContact CD1-CG2 3.94Å; L279-I322 HydrophobicContact CD2-CG2 4.03Å; L279-L323 HydrophobicContact CB-CB 4.34Å; L279-L323 HydrophobicContact CB-CD1 3.74Å; L279-L323 HydrophobicContact CD1-CD1 4.47Å; L279-H326 HydrophobicContact CD1-CB 3.89Å
280	K	90.1	Very high	88.6	Confident	74 Å²	74	31 Å²	31	32%	0.322	15%	0.153	S	C	.	.	H	α-helix	trans	-67	-43.1	172.7	-70.6	175.3	-177.5	-174.5	0	112.7	V276 Q277 Y278 M282 V284 L285 L323 E327	V276-K280 HydrophobicContact CG1-CD 4.43Å; V276-K280 WeakPolarHBondContact O-CG 3.36Å; V276-K280 PolarHBondContact O-N 3.46Å; Q277-K280 PolarHBondContact O-N 2.93Å; Y278-K280 VanDerWaalsContact C-N 3.28Å; Y278-K280 PolarHBondContact O-N 3.1Å; K280-M282 VanDerWaalsContact C-N 3.3Å; K280-M282 PolarHBondContact O-N 3.48Å; K280-V284 WeakPolarHBondContact O-CB 3.43Å; K280-V284 PolarHBondContact O-N 3.07Å; K280-L285 PolarHBondContact O-N 2.83Å; K280-L323 HydrophobicContact CG-CD1 3.87Å; K280-L323 HydrophobicContact CG-CD2 3.94Å; K280-E327 WeakPolarHBondContact CE-OE1 3.17Å; K280-E327 IonicContact NZ-OE1 2.71Å; K280-E327 PolarHBondContact NZ-OE1 2.98Å
281	E	88.8	Confident	88.7	Confident	10 Å²	10	30.4 Å²	30.4	5%	0.047	15%	0.152	C	C	.	.	I	π-helix	trans	-59.5	-40.7	175.9	-73.7	162.6	-172.2	0	0	111.7	Q277 Y278 L285 Y286 V396 F397 K402	Q277-E281 WeakPolarHBondContact CG-OE1 3.49Å; Q277-E281 PolarHBondContact NE2-OE1 3.29Å; Q277-E281 VanDerWaalsContact O-CG 3.31Å; Q277-E281 WeakPolarHBondContact O-CG 3.44Å; Q277-E281 PolarHBondContact O-N 3.31Å; Y278-E281 WeakPolarHBondContact O-CB 3.5Å; Y278-E281 PolarHBondContact O-N 3.36Å; Y278-E281 VanDerWaalsContact O-N 3.16Å; E281-L285 HydrophobicContact CG-CD1 4.1Å; E281-L285 PolarHBondContact O-N 2.78Å; E281-Y286 WeakPolarHBondContact O-CB 3.47Å; E281-Y286 PolarHBondContact O-N 2.8Å; E281-V396 HydrophobicContact CG-CG1 3.87Å; E281-F397 HydrophobicContact CB-CE1 4.38Å; E281-K402 IonicContact OE1-NZ 3.71Å; E281-K402 PolarHBondContact OE1-NZ 3.44Å; E281-K402 IonicContact OE2-NZ 3.59Å; E281-K402 PolarHBondContact OE2-NZ 3.36Å
282	M	88.3	Confident	88.7	Confident	1 Å²	1	37 Å²	37	1%	0.005	18%	0.175	C	C	.	.	I	π-helix	trans	-84.8	-35.8	-179.3	-70.2	-51.6	-53.8	0	0	115.1	Y278 K280 Y286 P287 F397 V405 L409	Y278-M282 HydrophobicContact CD2-CG 3.84Å; Y278-M282 HydrophobicContact CE2-CB 4.37Å; Y278-M282 HydrophobicContact CE2-CG 3.28Å; Y278-M282 HydrophobicContact CE2-SD 4.38Å; Y278-M282 PolarHBondContact O-N 3.46Å; K280-M282 VanDerWaalsContact C-N 3.3Å; K280-M282 PolarHBondContact O-N 3.48Å; M282-Y286 HydrophobicContact CE-CD1 3.75Å; M282-Y286 HydrophobicContact CE-CE1 4.31Å; M282-Y286 HydrophobicContact CE-CG 4.32Å; M282-P287 WeakPolarHBondContact O-CD 3.46Å; M282-F397 HydrophobicContact SD-CZ 4.29Å; M282-V405 HydrophobicContact CE-CG1 3.78Å; M282-V405 HydrophobicContact SD-CG1 4.33Å; M282-L409 HydrophobicContact CE-CD2 4.01Å
283	A	88.5	Confident	88.3	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.179	C	C	.	.	I	π-helix	trans	-79.2	-33.6	-178.6	0	0	0	0	0	113.3	L279 K316 M319 V320	L279-A283 WeakPolarHBondContact O-CB 3.45Å; L279-A283 PolarHBondContact O-N 3.28Å; A283-K316 WeakPolarHBondContact O-CG 3.27Å; A283-M319 HydrophobicContact CB-CB 3.74Å; A283-V320 HydrophobicContact CB-CG2 3.99Å
284	V	88.1	Confident	88.1	Confident	54 Å²	54	33.8 Å²	33.8	33%	0.327	16%	0.158	S	C	.	.	I	π-helix	trans	-117.4	-63.2	-169.4	-174.9	0	0	0	0	110.5	K280 Y286 P287 E288	K280-V284 WeakPolarHBondContact O-CB 3.43Å; K280-V284 PolarHBondContact O-N 3.07Å; V284-Y286 PolarHBondContact O-N 2.84Å; V284-P287 WeakPolarHBondContact O-CD 3.41Å; V284-E288 WeakPolarHBondContact CG1-OE1 3.47Å; V284-E288 WeakPolarHBondContact O-CB 3.35Å; V284-E288 WeakPolarHBondContact O-CG 3.34Å; V284-E288 PolarHBondContact O-N 2.89Å; V284-E288 VanDerWaalsContact O-N 3.11Å
285	L	88.3	Confident	87.9	Confident	73 Å²	73	37.7 Å²	37.7	38%	0.382	17%	0.172	S	C	.	.	I	π-helix	trans	-67.9	-40	-168.7	-57.6	-178.9	0	0	0	113	K280 E281 Y289 F392 V396	K280-L285 PolarHBondContact O-N 2.83Å; E281-L285 HydrophobicContact CG-CD1 4.1Å; E281-L285 PolarHBondContact O-N 2.78Å; L285-Y289 VanDerWaalsContact O-CB 3.27Å; L285-Y289 WeakPolarHBondContact O-CB 3.29Å; L285-Y289 PolarHBondContact O-N 2.65Å; L285-F392 HydrophobicContact CB-CE2 3.97Å; L285-V396 HydrophobicContact CD1-CG1 4.5Å
286	Y	89.4	Confident	87.4	Confident	1 Å²	1	44.8 Å²	44.8	0%	0.004	20%	0.198	C	C	.	.	H	α-helix	trans	-65.1	-52.9	-179.7	177.1	-121.7	0	0	0	112.7	E281 M282 V284 E288 Y289 M290 V312 T389 F392 V405	E281-Y286 WeakPolarHBondContact O-CB 3.47Å; E281-Y286 PolarHBondContact O-N 2.8Å; M282-Y286 HydrophobicContact CE-CD1 3.75Å; M282-Y286 HydrophobicContact CE-CE1 4.31Å; M282-Y286 HydrophobicContact CE-CG 4.32Å; V284-Y286 PolarHBondContact O-N 2.84Å; Y286-E288 PolarHBondContact O-N 3.48Å; Y286-Y289 PolarHBondContact O-N 2.97Å; Y286-M290 HydrophobicContact CD2-CE 3.93Å; Y286-M290 HydrophobicContact CD2-CG 4.47Å; Y286-M290 HydrophobicContact CD2-SD 4.47Å; Y286-M290 HydrophobicContact CE2-CE 3.55Å; Y286-M290 HydrophobicContact CE2-CG 4.13Å; Y286-M290 HydrophobicContact CE2-SD 3.73Å; Y286-M290 WeakPolarHBondContact O-CG 3.22Å; Y286-M290 PolarHBondContact O-N 3.34Å; Y286-V312 HydrophobicContact CD1-CG1 3.82Å; Y286-V312 HydrophobicContact CE1-CB 4.3Å; Y286-V312 HydrophobicContact CE1-CG1 3.69Å; Y286-V312 HydrophobicContact CE1-CG2 3.73Å; Y286-T389 HydrophobicContact CE2-CG2 4.02Å; Y286-T389 PolarHBondContact OH-OG1 3.35Å; Y286-F392 VanDerWaalsContact CA-CE2 3.49Å; Y286-F392 HydrophobicContact CD2-CB 4.31Å; Y286-F392 AromaticContact CD2-CD1 3.56Å; Y286-F392 HydrophobicContact CD2-CD1 3.56Å; Y286-F392 HydrophobicContact CD2-CD2 4.18Å; Y286-F392 AromaticContact CD2-CE1 3.84Å; Y286-F392 HydrophobicContact CD2-CE1 3.84Å; Y286-F392 HydrophobicContact CD2-CE2 4.42Å; Y286-F392 AromaticContact CD2-CG 3.75Å; Y286-F392 HydrophobicContact CD2-CG 3.75Å; Y286-F392 HydrophobicContact CD2-CZ 4.28Å; Y286-F392 HydrophobicContact CE2-CD1 4.27Å; Y286-F392 HydrophobicContact CG-CD1 4.33Å; Y286-F392 HydrophobicContact CG-CE1 4.15Å; Y286-F392 HydrophobicContact CG-CZ 4.34Å; Y286-V405 HydrophobicContact CD1-CG1 4.45Å; Y286-V405 HydrophobicContact CD2-CG2 4.2Å; Y286-V405 HydrophobicContact CE1-CG1 3.97Å; Y286-V405 HydrophobicContact CE2-CG1 4.38Å; Y286-V405 HydrophobicContact CE2-CG2 4Å
287	P	90.1	Very high	86.8	Confident	2 Å²	2	48 Å²	48	1%	0.013	22%	0.218	C	C	.	.	H	α-helix	trans	-56.4	-45	172.4	-25.7	33.5	0	0	0	113.6	M282 V284 Y289 M290 E291 V312 K316	M282-P287 WeakPolarHBondContact O-CD 3.46Å; V284-P287 WeakPolarHBondContact O-CD 3.41Å; P287-Y289 VanDerWaalsContact C-N 3.31Å; P287-Y289 PolarHBondContact O-N 3.29Å; P287-M290 PolarHBondContact O-N 2.99Å; P287-E291 PolarHBondContact O-N 2.97Å; P287-V312 HydrophobicContact CB-CG1 4.2Å; P287-V312 HydrophobicContact CG-CG1 3.94Å; P287-K316 HydrophobicContact CB-CD 3.93Å; P287-K316 HydrophobicContact CG-CB 4.02Å; P287-K316 HydrophobicContact CG-CD 3.85Å; P287-K316 HydrophobicContact CG-CG 4.19Å
288	E	89.6	Confident	86.2	Confident	62 Å²	62	47.8 Å²	47.8	29%	0.29	24%	0.237	S	C	.	.	H	α-helix	trans	-63.2	-36.4	177.2	-77.3	-172.9	-139.5	0	0	112.6	V284 Y286 E291 R292	V284-E288 WeakPolarHBondContact CG1-OE1 3.47Å; V284-E288 WeakPolarHBondContact O-CB 3.35Å; V284-E288 WeakPolarHBondContact O-CG 3.34Å; V284-E288 PolarHBondContact O-N 2.89Å; V284-E288 VanDerWaalsContact O-N 3.11Å; Y286-E288 PolarHBondContact O-N 3.48Å; E288-E291 PolarHBondContact O-N 3.34Å; E288-R292 WeakPolarHBondContact O-CB 3.36Å; E288-R292 WeakPolarHBondContact O-CD 3.45Å; E288-R292 WeakPolarHBondContact O-CG 3.43Å; E288-R292 PolarHBondContact O-N 3.19Å; E288-R292 IonicContact OE2-CZ 3.54Å; E288-R292 IonicContact OE2-NE 3.69Å; E288-R292 IonicContact OE2-NH2 2.66Å; E288-R292 PolarHBondContact OE2-NH2 3.01Å
289	Y	88	Confident	85.9	Confident	23 Å²	23	52.7 Å²	52.7	9%	0.09	26%	0.255	C	S	.	.	H	α-helix	trans	-66.6	-42.1	176.2	-166.2	-76.3	0	0	0	111.2	L285 Y286 P287 E291 R292 F293 M391 F392 E395	L285-Y289 VanDerWaalsContact O-CB 3.27Å; L285-Y289 WeakPolarHBondContact O-CB 3.29Å; L285-Y289 PolarHBondContact O-N 2.65Å; Y286-Y289 PolarHBondContact O-N 2.97Å; P287-Y289 VanDerWaalsContact C-N 3.31Å; P287-Y289 PolarHBondContact O-N 3.29Å; Y289-E291 VanDerWaalsContact C-N 3.34Å; Y289-E291 PolarHBondContact O-N 2.95Å; Y289-R292 PolarHBondContact O-N 2.8Å; Y289-F293 HydrophobicContact CD1-CB 4.43Å; Y289-F293 HydrophobicContact CE1-CB 4.25Å; Y289-F293 AromaticContact CE1-CD2 3.84Å; Y289-F293 HydrophobicContact CE1-CD2 3.84Å; Y289-F293 HydrophobicContact CE1-CG 4.46Å; Y289-F293 VanDerWaalsContact O-CB 3.27Å; Y289-F293 WeakPolarHBondContact O-CB 3.29Å; Y289-F293 PolarHBondContact O-N 2.9Å; Y289-M391 HydrophobicContact CE1-CB 4.08Å; Y289-M391 WeakPolarHBondContact OH-CB 3.06Å; Y289-F392 HydrophobicContact CD1-CB 3.94Å; Y289-F392 HydrophobicContact CD2-CD2 4.27Å; Y289-F392 HydrophobicContact CE1-CB 4.36Å; Y289-F392 HydrophobicContact CG-CB 4.11Å; Y289-F392 AromaticContact CG-CD2 3.97Å; Y289-F392 HydrophobicContact CG-CD2 3.97Å; Y289-E395 WeakPolarHBondContact CE2-OE2 3.49Å; Y289-E395 PolarHBondContact OH-OE1 2.98Å
290	M	87.2	Confident	85.6	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-57.9	-46.6	173.8	-62.2	-56.8	87	0	0	111.3	Y286 P287 F293 G294 L302 V312 F385 A388 F392	Y286-M290 HydrophobicContact CD2-CE 3.93Å; Y286-M290 HydrophobicContact CD2-CG 4.47Å; Y286-M290 HydrophobicContact CD2-SD 4.47Å; Y286-M290 HydrophobicContact CE2-CE 3.55Å; Y286-M290 HydrophobicContact CE2-CG 4.13Å; Y286-M290 HydrophobicContact CE2-SD 3.73Å; Y286-M290 WeakPolarHBondContact O-CG 3.22Å; Y286-M290 PolarHBondContact O-N 3.34Å; P287-M290 PolarHBondContact O-N 2.99Å; M290-F293 PolarHBondContact O-N 3.2Å; M290-G294 PolarHBondContact O-N 3.07Å; M290-L302 HydrophobicContact CB-CD1 4.25Å; M290-L302 HydrophobicContact CB-CD2 3.73Å; M290-L302 HydrophobicContact CB-CG 3.96Å; M290-L302 HydrophobicContact CG-CD2 4.13Å; M290-V312 HydrophobicContact CG-CG1 4.36Å; M290-F385 HydrophobicContact SD-CD2 4.47Å; M290-F385 HydrophobicContact SD-CE2 4.21Å; M290-A388 HydrophobicContact CE-CB 3.8Å; M290-A388 WeakPolarHBondContact CE-O 3.24Å; M290-A388 HydrophobicContact SD-CB 4.02Å; M290-F392 HydrophobicContact CE-CB 4.47Å
291	E	87.5	Confident	85.2	Confident	82 Å²	82	54.1 Å²	54.1	38%	0.383	27%	0.266	S	S	.	.	H	α-helix	trans	-64	-46.4	179.5	-164.3	-167.1	147.5	0	0	112	P287 E288 Y289 F293 G294 K295 L302	P287-E291 PolarHBondContact O-N 2.97Å; E288-E291 PolarHBondContact O-N 3.34Å; Y289-E291 VanDerWaalsContact C-N 3.34Å; Y289-E291 PolarHBondContact O-N 2.95Å; E291-F293 VanDerWaalsContact C-N 3.32Å; E291-F293 PolarHBondContact O-N 2.89Å; E291-G294 PolarHBondContact O-N 3.07Å; E291-K295 HydrophobicContact CG-CD 4.39Å; E291-K295 WeakPolarHBondContact O-CB 3.33Å; E291-K295 WeakPolarHBondContact O-CG 3.32Å; E291-K295 PolarHBondContact O-N 2.69Å; E291-K295 WeakPolarHBondContact OE1-CE 3.49Å; E291-K295 IonicContact OE1-NZ 2.6Å; E291-K295 PolarHBondContact OE1-NZ 3.36Å; E291-L302 HydrophobicContact CB-CD1 4.01Å
292	R	85.4	Confident	84.9	Confident	154 Å²	154	54.5 Å²	54.5	58%	0.581	27%	0.269	S	S	*	.	H	α-helix	trans	-67.5	-29	177.3	-67.5	169.2	-167.3	-147.1	9.9	112.6	E288 Y289 R296	E288-R292 WeakPolarHBondContact O-CB 3.36Å; E288-R292 WeakPolarHBondContact O-CD 3.45Å; E288-R292 WeakPolarHBondContact O-CG 3.43Å; E288-R292 PolarHBondContact O-N 3.19Å; E288-R292 IonicContact OE2-CZ 3.54Å; E288-R292 IonicContact OE2-NE 3.69Å; E288-R292 IonicContact OE2-NH2 2.66Å; E288-R292 PolarHBondContact OE2-NH2 3.01Å; Y289-R292 PolarHBondContact O-N 2.8Å; R292-R296 WeakPolarHBondContact O-CG 3.4Å; R292-R296 PolarHBondContact O-NE 3.06Å
293	F	83.3	Confident	84.5	Confident	18 Å²	18	56.7 Å²	56.7	8%	0.079	29%	0.287	C	S	.	.	H	α-helix	trans	-75.7	-47.5	173.4	-164.6	-78.2	0	0	0	110.7	Y289 M290 E291 K295 R296 V297 L301 E387 A388 M391	Y289-F293 HydrophobicContact CD1-CB 4.43Å; Y289-F293 HydrophobicContact CE1-CB 4.25Å; Y289-F293 AromaticContact CE1-CD2 3.84Å; Y289-F293 HydrophobicContact CE1-CD2 3.84Å; Y289-F293 HydrophobicContact CE1-CG 4.46Å; Y289-F293 VanDerWaalsContact O-CB 3.27Å; Y289-F293 WeakPolarHBondContact O-CB 3.29Å; Y289-F293 PolarHBondContact O-N 2.9Å; M290-F293 PolarHBondContact O-N 3.2Å; E291-F293 VanDerWaalsContact C-N 3.32Å; E291-F293 PolarHBondContact O-N 2.89Å; F293-K295 VanDerWaalsContact C-N 3.35Å; F293-K295 PolarHBondContact O-N 2.77Å; F293-R296 WeakPolarHBondContact O-CB 3.45Å; F293-R296 PolarHBondContact O-N 3.42Å; F293-V297 HydrophobicContact CD1-CG2 3.82Å; F293-V297 HydrophobicContact CE1-CG2 3.61Å; F293-V297 HydrophobicContact CZ-CG2 4.46Å; F293-V297 PolarHBondContact O-N 2.93Å; F293-V297 VanDerWaalsContact O-N 3.09Å; F293-L301 HydrophobicContact CD1-CD1 3.86Å; F293-E387 HydrophobicContact CZ-CB 4.4Å; F293-E387 HydrophobicContact CZ-CG 4.08Å; F293-A388 HydrophobicContact CB-CB 3.95Å; F293-A388 HydrophobicContact CD1-CB 3.52Å; F293-A388 HydrophobicContact CD2-CB 4.08Å; F293-A388 HydrophobicContact CE1-CB 3.93Å; F293-A388 HydrophobicContact CE2-CB 4.46Å; F293-A388 HydrophobicContact CG-CB 3.58Å; F293-A388 HydrophobicContact CZ-CB 4.39Å; F293-M391 HydrophobicContact CE2-CG 4.41Å
294	G	83.3	Confident	83.9	Confident	2 Å²	2	60.7 Å²	60.7	2%	0.021	32%	0.315	C	S	.	.	H	α-helix	trans	-56.1	-45.9	176.3	0	0	0	0	0	113.1	M290 E291 R296 V297 G298 R299	M290-G294 PolarHBondContact O-N 3.07Å; E291-G294 PolarHBondContact O-N 3.07Å; G294-R296 VanDerWaalsContact C-N 3.28Å; G294-R296 PolarHBondContact O-N 3.44Å; G294-V297 CarbonylContact O-C 3.55Å; G294-V297 PolarHBondContact O-N 3.47Å; G294-G298 PolarHBondContact O-N 3.03Å; G294-R299 CarbonylContact C-O 3.6Å; G294-R299 WeakPolarHBondContact CA-O 3.49Å; G294-R299 PolarHBondContact O-N 3.14Å; G294-R299 VanDerWaalsContact O-O 3.06Å
295	K	83.2	Confident	83	Confident	150 Å²	150	61 Å²	61	65%	0.652	31%	0.312	S	S	*	.	H	α-helix	trans	-59.2	-32.8	174	-74.9	172.9	175.2	175.5	0	113.8	E291 F293	E291-K295 HydrophobicContact CG-CD 4.39Å; E291-K295 WeakPolarHBondContact O-CB 3.33Å; E291-K295 WeakPolarHBondContact O-CG 3.32Å; E291-K295 PolarHBondContact O-N 2.69Å; E291-K295 WeakPolarHBondContact OE1-CE 3.49Å; E291-K295 IonicContact OE1-NZ 2.6Å; E291-K295 PolarHBondContact OE1-NZ 3.36Å; F293-K295 VanDerWaalsContact C-N 3.35Å; F293-K295 PolarHBondContact O-N 2.77Å
296	R	78.1	Confident	81.8	Confident	149 Å²	149	63.3 Å²	63.3	56%	0.562	33%	0.325	S	S	*	.	H	α-helix	trans	-75.2	-26.4	174.7	-75.2	178.9	-71	167.4	1	113.4	R292 F293 G294	R292-R296 WeakPolarHBondContact O-CG 3.4Å; R292-R296 PolarHBondContact O-NE 3.06Å; F293-R296 WeakPolarHBondContact O-CB 3.45Å; F293-R296 PolarHBondContact O-N 3.42Å; G294-R296 VanDerWaalsContact C-N 3.28Å; G294-R296 PolarHBondContact O-N 3.44Å
297	V	77.3	Confident	80.6	Confident	73 Å²	73	66.7 Å²	66.7	44%	0.442	36%	0.36	S	S	.	.	H	α-helix	trans	-92.9	-12.2	178.5	178.6	0	0	0	0	112.2	F293 G294 E384	F293-V297 HydrophobicContact CD1-CG2 3.82Å; F293-V297 HydrophobicContact CE1-CG2 3.61Å; F293-V297 HydrophobicContact CZ-CG2 4.46Å; F293-V297 PolarHBondContact O-N 2.93Å; F293-V297 VanDerWaalsContact O-N 3.09Å; G294-V297 CarbonylContact O-C 3.55Å; G294-V297 PolarHBondContact O-N 3.47Å; V297-E384 HydrophobicContact CG1-CG 4.21Å
298	G	76.9	Confident	79.5	Confident	74 Å²	74	73 Å²	73	76%	0.763	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.9	20.1	-177.8	0	0	0	0	0	113.9	G294	G294-G298 PolarHBondContact O-N 3.03Å
299	R	82	Confident	79	Confident	104 Å²	104	73.5 Å²	73.5	39%	0.392	39%	0.392	S	S	.	.	S	Bend	trans	-137.5	133.5	-175.4	-177.2	172.7	176.6	-121.3	-22.3	110.6	G294 L301 D382 E384	G294-R299 CarbonylContact C-O 3.6Å; G294-R299 WeakPolarHBondContact CA-O 3.49Å; G294-R299 PolarHBondContact O-N 3.14Å; G294-R299 VanDerWaalsContact O-O 3.06Å; R299-L301 HydrophobicContact CG-CD2 4.49Å; R299-L301 PolarHBondContact O-N 3.24Å; R299-D382 IonicContact CZ-OD2 3.15Å; R299-D382 VanDerWaalsContact NH1-CG 3.28Å; R299-D382 IonicContact NH1-OD1 3.36Å; R299-D382 PolarHBondContact NH1-OD1 3.25Å; R299-D382 VanDerWaalsContact NH1-OD1 3.11Å; R299-D382 IonicContact NH1-OD2 3.87Å; R299-D382 PolarHBondContact NH1-OD2 3.23Å; R299-D382 IonicContact NH2-OD2 2.67Å; R299-D382 PolarHBondContact NH2-OD2 3.42Å; R299-E384 IonicContact CZ-OE2 3.34Å; R299-E384 IonicContact NH1-OE2 3.88Å; R299-E384 PolarHBondContact NH1-OE2 2.95Å
300	D	84	Confident	79	Confident	98 Å²	98	72.6 Å²	72.6	52%	0.524	39%	0.388	S	S	.	.			trans	-75.3	113.4	173	-175.2	7.8	0	0	0	110.5	L302 A303	D300-L302 WeakPolarHBondContact OD1-CA 3.49Å; D300-L302 PolarHBondContact OD1-N 2.85Å; D300-A303 HydrophobicContact CB-CB 4.14Å; D300-A303 PolarHBondContact OD1-N 3.41Å; D300-A303 PolarHBondContact OD2-N 2.88Å
301	L	82.4	Confident	78.9	Confident	6 Å²	6	72.8 Å²	72.8	3%	0.031	39%	0.389	C	S	.	.	S	Bend	trans	-89.3	-6.5	177.4	-60.5	179.9	0	0	0	112.9	F293 R299 N310 E384 F385 A388	F293-L301 HydrophobicContact CD1-CD1 3.86Å; R299-L301 HydrophobicContact CG-CD2 4.49Å; R299-L301 PolarHBondContact O-N 3.24Å; L301-N310 PolarHBondContact O-ND2 3.02Å; L301-E384 HydrophobicContact CD2-CB 3.91Å; L301-F385 HydrophobicContact CB-CD2 4.44Å; L301-A388 HydrophobicContact CD1-CB 3.82Å
302	L	83.1	Confident	79	Confident	19 Å²	19	69 Å²	69	10%	0.099	37%	0.372	C	S	.	.	S	Bend	trans	-106	2.2	176	-64.6	179.3	0	0	0	112.8	M290 E291 D300 N310 V312 L313	M290-L302 HydrophobicContact CB-CD1 4.25Å; M290-L302 HydrophobicContact CB-CD2 3.73Å; M290-L302 HydrophobicContact CB-CG 3.96Å; M290-L302 HydrophobicContact CG-CD2 4.13Å; E291-L302 HydrophobicContact CB-CD1 4.01Å; D300-L302 WeakPolarHBondContact OD1-CA 3.49Å; D300-L302 PolarHBondContact OD1-N 2.85Å; L302-N310 VanDerWaalsContact O-CB 3.23Å; L302-N310 WeakPolarHBondContact O-CB 3.47Å; L302-V312 HydrophobicContact CD2-CB 3.82Å; L302-V312 HydrophobicContact CD2-CG1 3.9Å; L302-V312 HydrophobicContact CD2-CG2 4.38Å; L302-L313 HydrophobicContact CB-CD1 4.49Å; L302-L313 HydrophobicContact CD1-CD2 4.34Å
303	A	79.4	Confident	79.1	Confident	46 Å²	46	63.9 Å²	63.9	38%	0.38	36%	0.356	S	S	.	.	S	Bend	trans	-55.1	154.4	171.8	0	0	0	0	0	112.4	D300 H305 N310	D300-A303 HydrophobicContact CB-CB 4.14Å; D300-A303 PolarHBondContact OD1-N 3.41Å; D300-A303 PolarHBondContact OD2-N 2.88Å; A303-H305 PolarHBondContact O-N 2.82Å; A303-N310 PolarHBondContact O-ND2 3.07Å
304	S	75.8	Confident	79.4	Confident	84 Å²	84	65.4 Å²	65.4	59%	0.587	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-61.5	118.8	178.6	-60.7	0	0	0	0	111.9	H308	S304-H308 CarbonylContact C-O 3.57Å; S304-H308 WeakPolarHBondContact CA-O 3.48Å; S304-H308 VanDerWaalsContact CB-O 3.23Å; S304-H308 WeakPolarHBondContact CB-O 3.31Å
305	H	68.1	Low	79.6	Confident	61 Å²	61	65.4 Å²	65.4	28%	0.282	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-85.9	127.9	177.5	-164.8	49.2	0	0	0	110.2	A303 G307 H308 L378 E381	A303-H305 PolarHBondContact O-N 2.82Å; H305-G307 PolarHBondContact O-N 3.04Å; H305-G307 VanDerWaalsContact O-N 3.08Å; H305-H308 PolarHBondContact N-O 3Å; H305-H308 PolarHBondContact O-N 3.37Å; H305-L378 HydrophobicContact CB-CD2 4.11Å; H305-L378 VanDerWaalsContact CD2-CD2 3.49Å; H305-L378 WeakPolarHBondContact CD2-CD2 3.22Å; H305-E381 IonicContact CD2-OE2 2.68Å; H305-E381 IonicContact CE1-OE2 3.11Å; H305-E381 PolarHBondContact CE1-OE2 2.72Å; H305-E381 IonicContact NE2-OE2 2.77Å; H305-E381 PolarHBondContact NE2-OE2 2.64Å
306	N	63.9	Low	80	Confident	121 Å²	121	61.8 Å²	61.8	65%	0.647	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.3	35	-179.8	-59.2	-29.4	0	0	0	114.3	H308	N306-H308 VanDerWaalsContact C-N 3.33Å; N306-H308 PolarHBondContact O-N 3.36Å
307	G	63.2	Low	80.5	Confident	72 Å²	72	60 Å²	60	74%	0.742	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.5	-3.4	-179.4	0	0	0	0	0	115.7	H305	H305-G307 PolarHBondContact O-N 3.04Å; H305-G307 VanDerWaalsContact O-N 3.08Å
308	H	68	Low	81.1	Confident	136 Å²	136	57.6 Å²	57.6	63%	0.63	33%	0.328	S	S	*	.	B	Isolated β-bridge	trans	-105.9	153.6	177.9	-63	-74.1	0	0	0	112	S304 H305 N306 N310	S304-H308 CarbonylContact C-O 3.57Å; S304-H308 WeakPolarHBondContact CA-O 3.48Å; S304-H308 VanDerWaalsContact CB-O 3.23Å; S304-H308 WeakPolarHBondContact CB-O 3.31Å; H305-H308 PolarHBondContact N-O 3Å; H305-H308 PolarHBondContact O-N 3.37Å; N306-H308 VanDerWaalsContact C-N 3.33Å; N306-H308 PolarHBondContact O-N 3.36Å; H308-N310 PolarHBondContact O-N 3.42Å
309	E	78.9	Confident	81.7	Confident	71 Å²	71	54.1 Å²	54.1	33%	0.332	29%	0.291	S	S	.	.			trans	-56.4	137.9	175.3	176.8	170	-124.3	0	0	111.4	L313 Q314 K317	E309-L313 HydrophobicContact CG-CB 3.86Å; E309-L313 HydrophobicContact CG-CD1 4.33Å; E309-Q314 HydrophobicContact CB-CG 4.38Å; E309-Q314 HydrophobicContact CG-CG 4.14Å; E309-Q314 PolarHBondContact O-NE2 3.16Å; E309-K317 WeakPolarHBondContact OE1-CE 3.46Å; E309-K317 IonicContact OE1-NZ 3.78Å; E309-K317 PolarHBondContact OE1-NZ 2.95Å; E309-K317 WeakPolarHBondContact OE2-CE 3.45Å; E309-K317 IonicContact OE2-NZ 2.74Å; E309-K317 PolarHBondContact OE2-NZ 3.32Å
310	N	87.3	Confident	82	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.027	29%	0.294	C	S	.	.			trans	-57.9	137.2	-178.7	-168.3	-65.7	0	0	0	112.3	L301 L302 A303 H308 V312 L313 Q314	L301-N310 PolarHBondContact O-ND2 3.02Å; L302-N310 VanDerWaalsContact O-CB 3.23Å; L302-N310 WeakPolarHBondContact O-CB 3.47Å; A303-N310 PolarHBondContact O-ND2 3.07Å; H308-N310 PolarHBondContact O-N 3.42Å; N310-V312 PolarHBondContact O-N 3.39Å; N310-V312 VanDerWaalsContact O-N 3.1Å; N310-V312 WeakPolarHBondContact OD1-CB 3.47Å; N310-V312 WeakPolarHBondContact OD1-CG2 3.42Å; N310-V312 PolarHBondContact OD1-N 3.22Å; N310-L313 HydrophobicContact CB-CD1 4.25Å; N310-L313 HydrophobicContact CB-CG 4.29Å; N310-L313 WeakPolarHBondContact O-CB 3.4Å; N310-L313 PolarHBondContact O-N 3.48Å; N310-Q314 PolarHBondContact O-N 3.07Å; N310-Q314 VanDerWaalsContact O-N 3.12Å
311	V	86.5	Confident	82.2	Confident	3 Å²	3	52.5 Å²	52.5	2%	0.018	29%	0.29	C	S	.	.	H	α-helix	trans	-57	-31.8	-175.9	76.6	0	0	0	0	112.7	L313 Q314 I315 F371 K374 L375 L378	V311-L313 VanDerWaalsContact C-N 3.31Å; V311-L313 PolarHBondContact O-N 3.47Å; V311-Q314 PolarHBondContact O-N 3Å; V311-I315 HydrophobicContact CG2-CD1 4.14Å; V311-I315 WeakPolarHBondContact O-CD1 3.38Å; V311-I315 VanDerWaalsContact O-CG1 3.26Å; V311-I315 WeakPolarHBondContact O-CG1 3.48Å; V311-I315 PolarHBondContact O-N 3.47Å; V311-F371 HydrophobicContact CG2-CB 4.32Å; V311-F371 HydrophobicContact CG2-CD1 3.94Å; V311-K374 HydrophobicContact CB-CB 4.17Å; V311-K374 HydrophobicContact CG2-CB 3.77Å; V311-L375 HydrophobicContact CG1-CB 4.11Å; V311-L375 HydrophobicContact CG1-CD1 3.76Å; V311-L378 HydrophobicContact CB-CD1 4.21Å; V311-L378 HydrophobicContact CG1-CD1 3.56Å
312	V	88.3	Confident	82.7	Confident	2 Å²	2	52.2 Å²	52.2	1%	0.012	29%	0.289	C	S	.	.	H	α-helix	trans	-66.2	-35.6	177.9	-178.6	0	0	0	0	111.3	Y286 P287 M290 L302 N310 K316 L375 F385	Y286-V312 HydrophobicContact CD1-CG1 3.82Å; Y286-V312 HydrophobicContact CE1-CB 4.3Å; Y286-V312 HydrophobicContact CE1-CG1 3.69Å; Y286-V312 HydrophobicContact CE1-CG2 3.73Å; P287-V312 HydrophobicContact CB-CG1 4.2Å; P287-V312 HydrophobicContact CG-CG1 3.94Å; M290-V312 HydrophobicContact CG-CG1 4.36Å; L302-V312 HydrophobicContact CD2-CB 3.82Å; L302-V312 HydrophobicContact CD2-CG1 3.9Å; L302-V312 HydrophobicContact CD2-CG2 4.38Å; N310-V312 PolarHBondContact O-N 3.39Å; N310-V312 VanDerWaalsContact O-N 3.1Å; N310-V312 WeakPolarHBondContact OD1-CB 3.47Å; N310-V312 WeakPolarHBondContact OD1-CG2 3.42Å; N310-V312 PolarHBondContact OD1-N 3.22Å; V312-K316 VanDerWaalsContact O-CB 3.31Å; V312-K316 WeakPolarHBondContact O-CB 3.33Å; V312-K316 PolarHBondContact O-N 3.45Å; V312-L375 HydrophobicContact CG2-CD1 4.44Å; V312-F385 HydrophobicContact CG2-CE2 3.8Å; V312-F385 HydrophobicContact CG2-CZ 3.61Å
313	L	88.9	Confident	83	Confident	47 Å²	47	52.3 Å²	52.3	25%	0.246	29%	0.289	C	S	.	.	H	α-helix	trans	-74.7	-37.4	176.2	-61.2	178.1	0	0	0	111.7	L302 E309 N310 V311 K316 K317	L302-L313 HydrophobicContact CB-CD1 4.49Å; L302-L313 HydrophobicContact CD1-CD2 4.34Å; E309-L313 HydrophobicContact CG-CB 3.86Å; E309-L313 HydrophobicContact CG-CD1 4.33Å; N310-L313 HydrophobicContact CB-CD1 4.25Å; N310-L313 HydrophobicContact CB-CG 4.29Å; N310-L313 WeakPolarHBondContact O-CB 3.4Å; N310-L313 PolarHBondContact O-N 3.48Å; V311-L313 VanDerWaalsContact C-N 3.31Å; V311-L313 PolarHBondContact O-N 3.47Å; L313-K316 WeakPolarHBondContact O-CB 3.26Å; L313-K316 PolarHBondContact O-N 3.16Å; L313-K317 WeakPolarHBondContact O-CG 3.36Å; L313-K317 PolarHBondContact O-N 3.38Å
314	Q	88.8	Confident	83.6	Confident	50 Å²	50	52.5 Å²	52.5	23%	0.234	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-47.4	172.4	-60	-177.5	28.1	0	0	111.1	E309 N310 V311 K317 F371	E309-Q314 HydrophobicContact CB-CG 4.38Å; E309-Q314 HydrophobicContact CG-CG 4.14Å; E309-Q314 PolarHBondContact O-NE2 3.16Å; N310-Q314 PolarHBondContact O-N 3.07Å; N310-Q314 VanDerWaalsContact O-N 3.12Å; V311-Q314 PolarHBondContact O-N 3Å; Q314-K317 PolarHBondContact O-N 3.35Å; Q314-F371 HydrophobicContact CB-CE1 3.85Å
315	I	88.6	Confident	84.3	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.01	26%	0.26	C	S	.	.	H	α-helix	trans	-61.4	-46.1	175.2	-66.2	162.4	0	0	0	110.5	V311 K317 I318 M319 F364 F371 L409	V311-I315 HydrophobicContact CG2-CD1 4.14Å; V311-I315 WeakPolarHBondContact O-CD1 3.38Å; V311-I315 VanDerWaalsContact O-CG1 3.26Å; V311-I315 WeakPolarHBondContact O-CG1 3.48Å; V311-I315 PolarHBondContact O-N 3.47Å; I315-K317 PolarHBondContact O-N 3.03Å; I315-I318 PolarHBondContact O-N 3.28Å; I315-M319 HydrophobicContact CG2-CE 4.02Å; I315-M319 HydrophobicContact CG2-CG 3.84Å; I315-M319 WeakPolarHBondContact O-CB 3.48Å; I315-M319 WeakPolarHBondContact O-CG 3.42Å; I315-M319 PolarHBondContact O-N 3.48Å; I315-F364 HydrophobicContact CG2-CE2 4.42Å; I315-F371 HydrophobicContact CD1-CB 4.21Å; I315-F371 HydrophobicContact CG1-CB 4.2Å; I315-F371 HydrophobicContact CG1-CD1 4.19Å; I315-F371 HydrophobicContact CG1-CD2 4.24Å; I315-F371 HydrophobicContact CG1-CG 3.96Å; I315-L409 HydrophobicContact CD1-CD1 4.12Å; I315-L409 HydrophobicContact CD1-CD2 4.22Å; I315-L409 HydrophobicContact CG2-CD2 4.23Å
316	K	90.6	Very high	85.5	Confident	74 Å²	74	46 Å²	46	32%	0.322	25%	0.247	S	C	.	.	H	α-helix	trans	-52.7	-50.3	177	176.4	174	-167.4	173.8	0	112	A283 P287 V312 L313 I318 M319 V320	A283-K316 WeakPolarHBondContact O-CG 3.27Å; P287-K316 HydrophobicContact CB-CD 3.93Å; P287-K316 HydrophobicContact CG-CB 4.02Å; P287-K316 HydrophobicContact CG-CD 3.85Å; P287-K316 HydrophobicContact CG-CG 4.19Å; V312-K316 VanDerWaalsContact O-CB 3.31Å; V312-K316 WeakPolarHBondContact O-CB 3.33Å; V312-K316 PolarHBondContact O-N 3.45Å; L313-K316 WeakPolarHBondContact O-CB 3.26Å; L313-K316 PolarHBondContact O-N 3.16Å; K316-I318 VanDerWaalsContact C-N 3.29Å; K316-I318 PolarHBondContact O-N 3.31Å; K316-M319 PolarHBondContact O-N 3.23Å; K316-V320 HydrophobicContact CG-CG2 4.25Å; K316-V320 WeakPolarHBondContact O-CB 3.35Å; K316-V320 VanDerWaalsContact O-CG2 3.29Å; K316-V320 WeakPolarHBondContact O-CG2 3.23Å; K316-V320 PolarHBondContact O-N 3.08Å
317	K	89.6	Confident	86.8	Confident	113 Å²	113	42.8 Å²	42.8	49%	0.491	23%	0.228	S	C	.	.	H	α-helix	trans	-54.7	-43.4	-178	-76.6	175.2	-178.6	174.8	0	112.5	E309 L313 Q314 I315 Q321	E309-K317 WeakPolarHBondContact OE1-CE 3.46Å; E309-K317 IonicContact OE1-NZ 3.78Å; E309-K317 PolarHBondContact OE1-NZ 2.95Å; E309-K317 WeakPolarHBondContact OE2-CE 3.45Å; E309-K317 IonicContact OE2-NZ 2.74Å; E309-K317 PolarHBondContact OE2-NZ 3.32Å; L313-K317 WeakPolarHBondContact O-CG 3.36Å; L313-K317 PolarHBondContact O-N 3.38Å; Q314-K317 PolarHBondContact O-N 3.35Å; I315-K317 PolarHBondContact O-N 3.03Å; K317-Q321 WeakPolarHBondContact O-CG 3.44Å
318	I	89.4	Confident	88.1	Confident	22 Å²	22	41.4 Å²	41.4	11%	0.113	20%	0.203	C	C	.	.	H	α-helix	trans	-79.7	-39.5	-178.3	-48.7	172.1	0	0	0	111.2	I315 K316 V320 Q321 I322 P363 F364 F371	I315-I318 PolarHBondContact O-N 3.28Å; K316-I318 VanDerWaalsContact C-N 3.29Å; K316-I318 PolarHBondContact O-N 3.31Å; I318-V320 VanDerWaalsContact C-N 3.29Å; I318-V320 PolarHBondContact O-N 3.24Å; I318-Q321 WeakPolarHBondContact O-CB 3.27Å; I318-Q321 PolarHBondContact O-N 3.02Å; I318-I322 HydrophobicContact CG2-CD1 4.08Å; I318-I322 WeakPolarHBondContact O-CG1 3.22Å; I318-I322 PolarHBondContact O-N 2.66Å; I318-I322 VanDerWaalsContact O-N 3.14Å; I318-P363 HydrophobicContact CG2-CB 4.34Å; I318-F364 HydrophobicContact CG2-CB 3.77Å; I318-F371 HydrophobicContact CD1-CE2 3.84Å; I318-F371 HydrophobicContact CD1-CZ 3.64Å
319	M	89.1	Confident	89.3	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.4	-35.6	177.9	-66.8	-73.2	176.5	0	0	112.5	Y278 L279 A283 I315 K316 Q321 I322 L323 F364 L409 V412	Y278-M319 HydrophobicContact CE1-SD 4.47Å; Y278-M319 WeakPolarHBondContact OH-CE 3.29Å; L279-M319 HydrophobicContact CD2-SD 3.62Å; A283-M319 HydrophobicContact CB-CB 3.74Å; I315-M319 HydrophobicContact CG2-CE 4.02Å; I315-M319 HydrophobicContact CG2-CG 3.84Å; I315-M319 WeakPolarHBondContact O-CB 3.48Å; I315-M319 WeakPolarHBondContact O-CG 3.42Å; I315-M319 PolarHBondContact O-N 3.48Å; K316-M319 PolarHBondContact O-N 3.23Å; M319-Q321 VanDerWaalsContact C-N 3.27Å; M319-Q321 PolarHBondContact O-N 3.36Å; M319-I322 PolarHBondContact O-N 3.32Å; M319-L323 WeakPolarHBondContact O-CB 2.99Å; M319-L323 PolarHBondContact O-N 3.3Å; M319-F364 HydrophobicContact CE-CD1 4.38Å; M319-F364 HydrophobicContact CE-CD2 3.75Å; M319-F364 HydrophobicContact CE-CE1 4.08Å; M319-F364 HydrophobicContact CE-CE2 3.42Å; M319-F364 VanDerWaalsContact CE-CE2 3.42Å; M319-F364 HydrophobicContact CE-CG 4.22Å; M319-F364 HydrophobicContact CE-CZ 3.6Å; M319-L409 HydrophobicContact CE-CD2 4.39Å; M319-V412 HydrophobicContact CE-CG2 3.71Å; M319-V412 HydrophobicContact SD-CG2 4.06Å
320	V	89.1	Confident	90	Very high	73 Å²	73	33.1 Å²	33.1	44%	0.442	17%	0.166	S	C	.	.	H	α-helix	trans	-65.5	-27.3	173.9	170.9	0	0	0	0	112.3	A283 K316 I318 P324	A283-V320 HydrophobicContact CB-CG2 3.99Å; K316-V320 HydrophobicContact CG-CG2 4.25Å; K316-V320 WeakPolarHBondContact O-CB 3.35Å; K316-V320 VanDerWaalsContact O-CG2 3.29Å; K316-V320 WeakPolarHBondContact O-CG2 3.23Å; K316-V320 PolarHBondContact O-N 3.08Å; I318-V320 VanDerWaalsContact C-N 3.29Å; I318-V320 PolarHBondContact O-N 3.24Å; V320-P324 WeakPolarHBondContact O-CD 3.47Å
321	Q	88.3	Confident	90.2	Very high	95 Å²	95	39.1 Å²	39.1	44%	0.444	19%	0.191	S	C	.	.	H	α-helix	trans	-78	-35.4	174.6	-67.7	170.7	-1.4	0	0	112.3	F69 K317 I318 M319	F69-Q321 HydrophobicContact CE1-CB 4.07Å; F69-Q321 HydrophobicContact CE1-CG 4.32Å; K317-Q321 WeakPolarHBondContact O-CG 3.44Å; I318-Q321 WeakPolarHBondContact O-CB 3.27Å; I318-Q321 PolarHBondContact O-N 3.02Å; M319-Q321 VanDerWaalsContact C-N 3.27Å; M319-Q321 PolarHBondContact O-N 3.36Å
322	I	91.1	Very high	90.4	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-74.8	-39.6	179.8	-63.8	167.1	0	0	0	111.3	L279 I318 M319 I325 H326 F364	L279-I322 HydrophobicContact CD1-CG2 3.94Å; L279-I322 HydrophobicContact CD2-CG2 4.03Å; I318-I322 HydrophobicContact CG2-CD1 4.08Å; I318-I322 WeakPolarHBondContact O-CG1 3.22Å; I318-I322 PolarHBondContact O-N 2.66Å; I318-I322 VanDerWaalsContact O-N 3.14Å; M319-I322 PolarHBondContact O-N 3.32Å; I322-I325 PolarHBondContact O-N 2.84Å; I322-H326 PolarHBondContact O-CD2 3.33Å; I322-H326 PolarHBondContact O-N 2.84Å; I322-F364 HydrophobicContact CD1-CB 4.05Å
323	L	91.3	Very high	90.6	Very high	21 Å²	21	40.3 Å²	40.3	11%	0.11	20%	0.196	C	C	.	.	H	α-helix	trans	-53.7	-50.5	-171.6	173.9	64.3	0	0	0	114.7	V276 L279 K280 M319 I325 H326 E327	V276-L323 HydrophobicContact CG1-CD1 4.16Å; L279-L323 HydrophobicContact CB-CB 4.34Å; L279-L323 HydrophobicContact CB-CD1 3.74Å; L279-L323 HydrophobicContact CD1-CD1 4.47Å; K280-L323 HydrophobicContact CG-CD1 3.87Å; K280-L323 HydrophobicContact CG-CD2 3.94Å; M319-L323 WeakPolarHBondContact O-CB 2.99Å; M319-L323 PolarHBondContact O-N 3.3Å; L323-I325 VanDerWaalsContact C-N 3.32Å; L323-I325 PolarHBondContact O-N 2.92Å; L323-H326 PolarHBondContact O-N 2.94Å; L323-H326 VanDerWaalsContact O-N 3.17Å; L323-E327 HydrophobicContact CD1-CG 3.9Å; L323-E327 HydrophobicContact CG-CG 4.34Å; L323-E327 PolarHBondContact O-N 3.3Å
324	P	90.8	Very high	90.7	Very high	51 Å²	51	41.8 Å²	41.8	33%	0.331	21%	0.205	S	C	.	.	H	α-helix	trans	-61.2	-36.9	-176.4	-25	35.3	0	0	0	113.8	V320 H326 E327 M328	V320-P324 WeakPolarHBondContact O-CD 3.47Å; P324-H326 VanDerWaalsContact C-N 3.34Å; P324-E327 PolarHBondContact O-N 2.89Å; P324-M328 WeakPolarHBondContact O-CG 3.35Å; P324-M328 PolarHBondContact O-N 3.17Å
325	I	91.2	Very high	90.8	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.036	22%	0.22	C	C	.	.	H	α-helix	trans	-65.5	-41.5	179.1	-65.8	168.1	0	0	0	109.9	L64 I322 L323 M328 L329 F357 C360	L64-I325 HydrophobicContact CD2-CG1 4.22Å; I322-I325 PolarHBondContact O-N 2.84Å; L323-I325 VanDerWaalsContact C-N 3.32Å; L323-I325 PolarHBondContact O-N 2.92Å; I325-M328 PolarHBondContact O-N 3.3Å; I325-L329 PolarHBondContact O-N 2.72Å; I325-F357 HydrophobicContact CG2-CB 3.99Å; I325-C360 HydrophobicContact CD1-CB 3.58Å
326	H	92.3	Very high	90.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-75.3	-27.1	176.2	-74.3	-88.7	0	0	0	113.1	Q272 Y275 V276 L279 I322 L323 P324 L330 L358 Y419	Q272-H326 PolarHBondContact NE2-ND1 3.3Å; Q272-H326 PolarHBondContact NE2-O 2.91Å; Y275-H326 AromaticContact CD1-ND1 3.57Å; Y275-H326 AromaticContact CE1-CE1 3.54Å; Y275-H326 AromaticContact CE1-CG 3.75Å; Y275-H326 AromaticContact CE1-ND1 3.4Å; Y275-H326 WeakPolarHBondContact CE1-ND1 3.27Å; Y275-H326 AromaticContact CE1-NE2 3.91Å; V276-H326 HydrophobicContact CG2-CB 3.98Å; V276-H326 WeakPolarHBondContact CG2-O 3.49Å; L279-H326 HydrophobicContact CD1-CB 3.89Å; I322-H326 PolarHBondContact O-CD2 3.33Å; I322-H326 PolarHBondContact O-N 2.84Å; L323-H326 PolarHBondContact O-N 2.94Å; L323-H326 VanDerWaalsContact O-N 3.17Å; P324-H326 VanDerWaalsContact C-N 3.34Å; H326-L330 WeakPolarHBondContact O-CB 3.43Å; H326-L330 PolarHBondContact O-N 3.22Å; H326-L358 VanDerWaalsContact CE1-CD2 3.44Å; H326-L358 WeakPolarHBondContact CE1-CD2 3.31Å; H326-Y419 AromaticContact CE1-CE2 3.97Å; H326-Y419 AromaticContact CE1-CZ 3.92Å; H326-Y419 PolarHBondContact CE1-OH 3.28Å; H326-Y419 PolarHBondContact ND1-OH 2.95Å
327	E	92.4	Very high	90.7	Very high	55 Å²	55	43.9 Å²	43.9	26%	0.257	22%	0.217	S	C	.	.	H	α-helix	trans	-67.8	-37	167.7	-70.8	-158	124.5	0	0	113	V276 K280 L323 P324 L330 K331	V276-E327 HydrophobicContact CG1-CG 3.85Å; K280-E327 WeakPolarHBondContact CE-OE1 3.17Å; K280-E327 IonicContact NZ-OE1 2.71Å; K280-E327 PolarHBondContact NZ-OE1 2.98Å; L323-E327 HydrophobicContact CD1-CG 3.9Å; L323-E327 HydrophobicContact CG-CG 4.34Å; L323-E327 PolarHBondContact O-N 3.3Å; P324-E327 PolarHBondContact O-N 2.89Å; E327-L330 PolarHBondContact O-N 2.74Å; E327-K331 WeakPolarHBondContact O-CG 3.31Å; E327-K331 PolarHBondContact O-N 3.06Å; E327-K331 VanDerWaalsContact O-N 3.13Å
328	M	90.6	Very high	90.6	Very high	43 Å²	43	42.5 Å²	42.5	21%	0.212	22%	0.222	C	C	.	.	H	α-helix	trans	-65.4	-46.4	173.2	-72.9	176.9	65.8	0	0	111.2	R60 L64 P324 I325 L330 K331 E332 F354	R60-M328 HydrophobicContact CB-CE 4.01Å; R60-M328 HydrophobicContact CG-CE 4.33Å; L64-M328 HydrophobicContact CD1-CE 4.09Å; L64-M328 HydrophobicContact CD2-CE 4.47Å; L64-M328 HydrophobicContact CD2-SD 3.95Å; L64-M328 HydrophobicContact CG-CE 4.28Å; L64-M328 HydrophobicContact CG-SD 4.4Å; P324-M328 WeakPolarHBondContact O-CG 3.35Å; P324-M328 PolarHBondContact O-N 3.17Å; I325-M328 PolarHBondContact O-N 3.3Å; M328-L330 VanDerWaalsContact C-N 3.3Å; M328-L330 PolarHBondContact O-N 2.86Å; M328-K331 PolarHBondContact O-N 2.72Å; M328-E332 PolarHBondContact O-N 3.24Å; M328-E332 VanDerWaalsContact O-N 3.16Å; M328-F354 HydrophobicContact CB-CE1 3.93Å; M328-F354 HydrophobicContact CB-CZ 4.12Å
329	L	92.4	Very high	90.5	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.021	25%	0.248	C	C	.	.	H	α-helix	trans	-60.6	-38.1	175	176.5	56.8	0	0	0	112	Q272 I325 E332 I333 T350 I351 F354 Y419	Q272-L329 HydrophobicContact CG-CG 4.5Å; I325-L329 PolarHBondContact O-N 2.72Å; L329-E332 PolarHBondContact O-N 3.01Å; L329-I333 HydrophobicContact CD1-CD1 3.63Å; L329-I333 HydrophobicContact CD1-CG1 3.92Å; L329-I333 HydrophobicContact CG-CD1 3.76Å; L329-I333 HydrophobicContact CG-CG1 4.45Å; L329-I333 VanDerWaalsContact O-CG1 3.31Å; L329-I333 WeakPolarHBondContact O-CG1 2.97Å; L329-I333 PolarHBondContact O-N 3.11Å; L329-T350 HydrophobicContact CD1-CG2 4.37Å; L329-I351 HydrophobicContact CD1-CD1 4.22Å; L329-F354 HydrophobicContact CB-CD1 3.78Å; L329-F354 HydrophobicContact CB-CE1 3.93Å; L329-F354 HydrophobicContact CB-CG 4.11Å; L329-F354 HydrophobicContact CB-CZ 4.38Å; L329-F354 HydrophobicContact CD1-CB 3.87Å; L329-F354 HydrophobicContact CD1-CD1 4.28Å; L329-F354 HydrophobicContact CD1-CD2 3.73Å; L329-F354 HydrophobicContact CD1-CE2 4.3Å; L329-F354 HydrophobicContact CD1-CG 3.7Å; L329-F354 HydrophobicContact CD2-CB 4.27Å; L329-F354 HydrophobicContact CG-CD1 4.47Å; L329-F354 HydrophobicContact CG-CG 4.33Å; L329-Y419 HydrophobicContact CD2-CE1 4.08Å
330	L	92.9	Very high	90.4	Very high	29 Å²	29	48.6 Å²	48.6	15%	0.152	25%	0.253	C	S	.	.	H	α-helix	trans	-60.1	-46.6	174.4	-179.3	56.8	0	0	0	111.6	L269 Q272 N273 V276 H326 E327 M328 E332 I333 D334	L269-L330 HydrophobicContact CD1-CD1 3.7Å; Q272-L330 HydrophobicContact CB-CD1 4.07Å; Q272-L330 HydrophobicContact CG-CB 3.75Å; Q272-L330 HydrophobicContact CG-CD1 3.83Å; Q272-L330 HydrophobicContact CG-CG 4.36Å; N273-L330 HydrophobicContact CB-CD1 4.05Å; V276-L330 HydrophobicContact CB-CD2 4.06Å; V276-L330 HydrophobicContact CG1-CD2 4.12Å; V276-L330 HydrophobicContact CG2-CB 4.18Å; V276-L330 HydrophobicContact CG2-CD2 4.02Å; H326-L330 WeakPolarHBondContact O-CB 3.43Å; H326-L330 PolarHBondContact O-N 3.22Å; E327-L330 PolarHBondContact O-N 2.74Å; M328-L330 VanDerWaalsContact C-N 3.3Å; M328-L330 PolarHBondContact O-N 2.86Å; L330-E332 PolarHBondContact O-N 3.47Å; L330-I333 PolarHBondContact O-N 3.33Å; L330-D334 WeakPolarHBondContact O-CB 3.49Å; L330-D334 PolarHBondContact O-N 2.99Å
331	K	92	Very high	90.2	Very high	130 Å²	130	47.4 Å²	47.4	57%	0.565	24%	0.244	S	C	*	.	H	α-helix	trans	-64.2	-35.8	-179.3	-70.7	166.9	-176.4	173.7	0	113.1	E327 M328 K335	E327-K331 WeakPolarHBondContact O-CG 3.31Å; E327-K331 PolarHBondContact O-N 3.06Å; E327-K331 VanDerWaalsContact O-N 3.13Å; M328-K331 PolarHBondContact O-N 2.72Å; K331-K335 VanDerWaalsContact O-CB 3.26Å; K331-K335 WeakPolarHBondContact O-CB 3.49Å; K331-K335 PolarHBondContact O-N 3.31Å; K331-K335 VanDerWaalsContact O-N 3.14Å
332	E	91.7	Very high	90.1	Very high	30 Å²	30	43 Å²	43	14%	0.14	22%	0.224	C	C	.	.	H	α-helix	trans	-76.7	-36.4	176.4	-60	-63.5	169.2	0	0	112.5	R60 M328 L329 L330 V336 T350 F354	R60-E332 IonicContact CZ-OE1 2.98Å; R60-E332 IonicContact NH1-OE1 2.62Å; R60-E332 PolarHBondContact NH1-OE1 3.11Å; M328-E332 PolarHBondContact O-N 3.24Å; M328-E332 VanDerWaalsContact O-N 3.16Å; L329-E332 PolarHBondContact O-N 3.01Å; L330-E332 PolarHBondContact O-N 3.47Å; E332-V336 WeakPolarHBondContact O-CG2 3.41Å; E332-V336 PolarHBondContact O-N 3.35Å; E332-T350 HydrophobicContact CB-CG2 3.8Å; E332-F354 HydrophobicContact CB-CE2 4.35Å; E332-F354 HydrophobicContact CG-CE2 4.02Å; E332-F354 HydrophobicContact CG-CZ 4.22Å
333	I	91.3	Very high	89.6	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.8	-44	173.1	-67.9	168.9	0	0	0	110.8	F268 L269 Q272 L329 L330 K335 V336 C337 M347 T350 I351	F268-I333 HydrophobicContact CB-CD1 4.46Å; F268-I333 HydrophobicContact CB-CG2 4.07Å; L269-I333 HydrophobicContact CB-CG2 3.84Å; L269-I333 HydrophobicContact CD1-CG2 4.33Å; Q272-I333 HydrophobicContact CB-CD1 4.09Å; Q272-I333 HydrophobicContact CG-CD1 4.1Å; L329-I333 HydrophobicContact CD1-CD1 3.63Å; L329-I333 HydrophobicContact CD1-CG1 3.92Å; L329-I333 HydrophobicContact CG-CD1 3.76Å; L329-I333 HydrophobicContact CG-CG1 4.45Å; L329-I333 VanDerWaalsContact O-CG1 3.31Å; L329-I333 WeakPolarHBondContact O-CG1 2.97Å; L329-I333 PolarHBondContact O-N 3.11Å; L330-I333 PolarHBondContact O-N 3.33Å; I333-K335 PolarHBondContact O-N 3.14Å; I333-V336 WeakPolarHBondContact O-CB 3.31Å; I333-V336 PolarHBondContact O-N 3.22Å; I333-V336 VanDerWaalsContact O-N 3.15Å; I333-C337 PolarHBondContact O-N 3.23Å; I333-C337 PolarHBondContact O-SG 3.36Å; I333-M347 HydrophobicContact CG1-SD 4.26Å; I333-M347 HydrophobicContact CG2-CE 4.12Å; I333-M347 HydrophobicContact CG2-SD 4.33Å; I333-T350 HydrophobicContact CG1-CG2 4.06Å; I333-I351 HydrophobicContact CD1-CD1 3.69Å; I333-I351 HydrophobicContact CG1-CD1 4.02Å
334	D	91.6	Very high	89.3	Confident	78 Å²	78	56 Å²	56	42%	0.417	27%	0.272	S	S	.	.	H	α-helix	trans	-61.6	-42.2	178.7	-171.1	62.8	0	0	0	111.9	L269 L330 V336 C337 S338	L269-D334 HydrophobicContact CD1-CB 3.84Å; L330-D334 WeakPolarHBondContact O-CB 3.49Å; L330-D334 PolarHBondContact O-N 2.99Å; D334-V336 VanDerWaalsContact C-N 3.35Å; D334-V336 PolarHBondContact O-N 3.45Å; D334-C337 PolarHBondContact O-N 2.95Å; D334-S338 VanDerWaalsContact O-CB 3.32Å; D334-S338 WeakPolarHBondContact O-CB 3.25Å; D334-S338 PolarHBondContact O-N 2.9Å; D334-S338 PolarHBondContact O-OG 3.5Å
335	K	90.6	Very high	89.1	Confident	129 Å²	129	54.8 Å²	54.8	56%	0.561	27%	0.265	S	S	*	.	H	α-helix	trans	-63.2	-36	172.4	179.7	-177.5	172.8	-170.3	0	113.3	K331 I333 N339	K331-K335 VanDerWaalsContact O-CB 3.26Å; K331-K335 WeakPolarHBondContact O-CB 3.49Å; K331-K335 PolarHBondContact O-N 3.31Å; K331-K335 VanDerWaalsContact O-N 3.14Å; I333-K335 PolarHBondContact O-N 3.14Å; K335-N339 PolarHBondContact O-ND2 2.85Å
336	V	90	Very high	89	Confident	19 Å²	19	57.7 Å²	57.7	12%	0.115	28%	0.28	C	S	.	.	H	α-helix	trans	-68.9	-48.5	173.6	159.9	0	0	0	0	110.8	E332 I333 D334 S338 N339 W340 N346 M347	E332-V336 WeakPolarHBondContact O-CG2 3.41Å; E332-V336 PolarHBondContact O-N 3.35Å; I333-V336 WeakPolarHBondContact O-CB 3.31Å; I333-V336 PolarHBondContact O-N 3.22Å; I333-V336 VanDerWaalsContact O-N 3.15Å; D334-V336 VanDerWaalsContact C-N 3.35Å; D334-V336 PolarHBondContact O-N 3.45Å; V336-S338 VanDerWaalsContact C-N 3.32Å; V336-S338 PolarHBondContact O-N 3.31Å; V336-N339 CarbonylContact O-C 3.56Å; V336-N339 PolarHBondContact O-N 2.95Å; V336-W340 HydrophobicContact CG1-CE3 3.7Å; V336-W340 HydrophobicContact CG1-CZ3 3.76Å; V336-W340 PolarHBondContact O-N 3.12Å; V336-N346 VanDerWaalsContact CG1-OD1 3.23Å; V336-N346 WeakPolarHBondContact CG1-OD1 3.31Å; V336-M347 HydrophobicContact CB-CE 4.35Å; V336-M347 HydrophobicContact CG1-CE 3.51Å; V336-M347 HydrophobicContact CG1-SD 4.08Å
337	C	87.9	Confident	89	Confident	23 Å²	23	57.7 Å²	57.7	16%	0.155	28%	0.28	C	S	.	.	H	α-helix	trans	-65.7	-32.8	-179.9	-73	0	0	0	0	113	L269 I333 D334 N339 W340	L269-C337 HydrophobicContact CD2-CB 3.8Å; I333-C337 PolarHBondContact O-N 3.23Å; I333-C337 PolarHBondContact O-SG 3.36Å; D334-C337 PolarHBondContact O-N 2.95Å; C337-N339 VanDerWaalsContact C-N 3.26Å; C337-N339 PolarHBondContact O-N 3.45Å; C337-W340 WeakPolarHBondContact O-CB 3.4Å; C337-W340 PolarHBondContact O-N 3.49Å
338	S	87.4	Confident	88.9	Confident	84 Å²	84	55.1 Å²	55.1	59%	0.587	27%	0.268	S	S	*	.	H	α-helix	trans	-65.5	-27.8	176.3	-64.1	0	0	0	0	113.2	D334 V336	D334-S338 VanDerWaalsContact O-CB 3.32Å; D334-S338 WeakPolarHBondContact O-CB 3.25Å; D334-S338 PolarHBondContact O-N 2.9Å; D334-S338 PolarHBondContact O-OG 3.5Å; V336-S338 VanDerWaalsContact C-N 3.32Å; V336-S338 PolarHBondContact O-N 3.31Å
339	N	87	Confident	88.8	Confident	124 Å²	124	60 Å²	60	66%	0.663	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.4	33.8	-179.3	-58.7	-63.1	0	0	0	111	K335 V336 C337	K335-N339 PolarHBondContact O-ND2 2.85Å; V336-N339 CarbonylContact O-C 3.56Å; V336-N339 PolarHBondContact O-N 2.95Å; C337-N339 VanDerWaalsContact C-N 3.26Å; C337-N339 PolarHBondContact O-N 3.45Å
340	W	87.4	Confident	88.7	Confident	26 Å²	26	60.8 Å²	60.8	10%	0.098	29%	0.293	C	S	.	.			trans	-82.6	125.4	-170.1	-174	-90.3	0	0	0	113.6	L261 H262 A265 V336 C337 S342 P345 M347 Y426	L261-W340 HydrophobicContact CG-CZ2 4.36Å; H262-W340 AromaticContact CE1-CD1 3.98Å; H262-W340 AromaticContact ND1-CD1 3.44Å; H262-W340 AromaticContact ND1-NE1 3.99Å; A265-W340 HydrophobicContact CB-CD2 3.79Å; A265-W340 HydrophobicContact CB-CE3 3.88Å; A265-W340 HydrophobicContact CB-CH2 3.78Å; A265-W340 HydrophobicContact CB-CZ2 3.65Å; A265-W340 HydrophobicContact CB-CZ3 3.89Å; V336-W340 HydrophobicContact CG1-CE3 3.7Å; V336-W340 HydrophobicContact CG1-CZ3 3.76Å; V336-W340 PolarHBondContact O-N 3.12Å; C337-W340 WeakPolarHBondContact O-CB 3.4Å; C337-W340 PolarHBondContact O-N 3.49Å; W340-S342 PolarHBondContact NE1-OG 2.86Å; W340-P345 HydrophobicContact CH2-CB 3.82Å; W340-P345 HydrophobicContact CZ2-CB 3.98Å; W340-M347 HydrophobicContact CH2-CB 4.31Å; W340-M347 HydrophobicContact CZ3-CB 4.09Å; W340-M347 HydrophobicContact CZ3-CE 4.41Å; W340-Y426 AromaticContact CH2-CE2 3.68Å; W340-Y426 HydrophobicContact CH2-CE2 3.68Å; W340-Y426 WeakPolarHBondContact CH2-OH 3.45Å; W340-Y426 HydrophobicContact CZ2-CE2 4.2Å
341	D	84.4	Confident	88.6	Confident	47 Å²	47	59.6 Å²	59.6	25%	0.251	29%	0.287	S	S	.	.			trans	-125.3	126.9	159.4	-172.5	-4.3	0	0	0	109.6	Y247 R343 Y344	Y247-D341 WeakPolarHBondContact CE1-OD1 3.34Å; D341-R343 PolarHBondContact O-N 2.96Å; D341-R343 WeakPolarHBondContact OD1-CB 3.46Å; D341-R343 VanDerWaalsContact OD1-CG 3.31Å; D341-R343 WeakPolarHBondContact OD1-CG 3.27Å; D341-R343 PolarHBondContact OD1-N 2.86Å; D341-R343 IonicContact OD1-NE 2.84Å; D341-R343 WeakPolarHBondContact OD2-CD 3.41Å; D341-R343 IonicContact OD2-NE 2.84Å; D341-Y344 HydrophobicContact CB-CD2 4.38Å; D341-Y344 CarbonylContact O-C 3.58Å; D341-Y344 VanDerWaalsContact O-C 3.24Å; D341-Y344 PolarHBondContact O-N 3.2Å
342	S	84.8	Confident	88.5	Confident	3 Å²	3	54 Å²	54	2%	0.021	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-15	175.3	-66.3	0	0	0	0	113.1	Y247 L258 H262 W340 Y344	Y247-S342 PolarHBondContact OH-OG 3.14Å; L258-S342 VanDerWaalsContact CD2-O 3.25Å; L258-S342 WeakPolarHBondContact CD2-O 3.42Å; L258-S342 WeakPolarHBondContact O-CB 3.41Å; L258-S342 PolarHBondContact O-OG 3.09Å; H262-S342 PolarHBondContact N-OG 3Å; W340-S342 PolarHBondContact NE1-OG 2.86Å; S342-Y344 VanDerWaalsContact C-N 3.31Å
343	R	81.8	Confident	88.3	Confident	118 Å²	118	55.3 Å²	55.3	45%	0.445	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-27.8	169	-55.1	173.5	-143.8	-103.1	0.1	112	Y247 D341 P345	Y247-R343 HydrophobicContact CD1-CG 4.3Å; Y247-R343 VanDerWaalsContact O-CZ 3.31Å; Y247-R343 PolarHBondContact O-NH1 3.35Å; Y247-R343 PolarHBondContact O-NH2 3.18Å; D341-R343 PolarHBondContact O-N 2.96Å; D341-R343 WeakPolarHBondContact OD1-CB 3.46Å; D341-R343 VanDerWaalsContact OD1-CG 3.31Å; D341-R343 WeakPolarHBondContact OD1-CG 3.27Å; D341-R343 PolarHBondContact OD1-N 2.86Å; D341-R343 IonicContact OD1-NE 2.84Å; D341-R343 WeakPolarHBondContact OD2-CD 3.41Å; D341-R343 IonicContact OD2-NE 2.84Å; R343-P345 VanDerWaalsContact C-CD 3.4Å; R343-P345 WeakPolarHBondContact O-CD 3.4Å
344	Y	84.2	Confident	88.3	Confident	176 Å²	176	56.4 Å²	56.4	69%	0.69	28%	0.281	S	S	*	.	S	Bend	trans	-128.5	58.8	-176.6	-57.5	-70.3	0	0	0	111.9	D341 S342	D341-Y344 HydrophobicContact CB-CD2 4.38Å; D341-Y344 CarbonylContact O-C 3.58Å; D341-Y344 VanDerWaalsContact O-C 3.24Å; D341-Y344 PolarHBondContact O-N 3.2Å; S342-Y344 VanDerWaalsContact C-N 3.31Å
345	P	86.8	Confident	88.1	Confident	26 Å²	26	52.7 Å²	52.7	17%	0.169	26%	0.261	C	S	.	.			trans	-65.8	140.4	-173.8	30	-36.1	0	0	0	111.8	L261 W340 R343 Y426 L430 E436	L261-P345 HydrophobicContact CD2-CB 4.16Å; L261-P345 HydrophobicContact CD2-CG 4.29Å; W340-P345 HydrophobicContact CH2-CB 3.82Å; W340-P345 HydrophobicContact CZ2-CB 3.98Å; R343-P345 VanDerWaalsContact C-CD 3.4Å; R343-P345 WeakPolarHBondContact O-CD 3.4Å; P345-Y426 WeakPolarHBondContact CB-OH 3.13Å; P345-L430 HydrophobicContact CB-CD2 3.97Å; P345-L430 HydrophobicContact CG-CD2 3.67Å; P345-E436 HydrophobicContact CB-CG 4.15Å; P345-E436 HydrophobicContact CG-CB 4.37Å; P345-E436 HydrophobicContact CG-CG 4.12Å; P345-E436 WeakPolarHBondContact O-CG 3.4Å
346	N	89.6	Confident	87.8	Confident	67 Å²	67	50.4 Å²	50.4	36%	0.358	26%	0.255	S	S	.	.			trans	-148.4	12.1	-170.8	61.9	29.3	0	0	0	115.6	V336 S348 Y426 E436	V336-N346 VanDerWaalsContact CG1-OD1 3.23Å; V336-N346 WeakPolarHBondContact CG1-OD1 3.31Å; N346-S348 VanDerWaalsContact C-N 3.34Å; N346-S348 PolarHBondContact O-N 3.21Å; N346-Y426 PolarHBondContact N-OH 3.34Å; N346-E436 WeakPolarHBondContact CA-OE1 3.29Å; N346-E436 PolarHBondContact N-OE1 2.93Å
347	M	91.3	Very high	87.6	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-65.8	-31.2	-177.8	-171.6	61.9	73.4	0	0	113.2	A265 F268 I333 V336 W340 K349 T350 I351 Y426 E436	A265-M347 HydrophobicContact CB-CE 4.19Å; F268-M347 HydrophobicContact CB-CE 4.28Å; F268-M347 HydrophobicContact CB-SD 4.37Å; F268-M347 HydrophobicContact CD2-CE 4.42Å; F268-M347 HydrophobicContact CD2-CG 3.82Å; F268-M347 HydrophobicContact CD2-SD 4.39Å; F268-M347 HydrophobicContact CE2-CG 3.87Å; F268-M347 HydrophobicContact CG-CG 4.26Å; F268-M347 HydrophobicContact CG-SD 4.36Å; F268-M347 HydrophobicContact CZ-CG 4.35Å; I333-M347 HydrophobicContact CG1-SD 4.26Å; I333-M347 HydrophobicContact CG2-CE 4.12Å; I333-M347 HydrophobicContact CG2-SD 4.33Å; V336-M347 HydrophobicContact CB-CE 4.35Å; V336-M347 HydrophobicContact CG1-CE 3.51Å; V336-M347 HydrophobicContact CG1-SD 4.08Å; W340-M347 HydrophobicContact CH2-CB 4.31Å; W340-M347 HydrophobicContact CZ3-CB 4.09Å; W340-M347 HydrophobicContact CZ3-CE 4.41Å; M347-K349 VanDerWaalsContact C-N 3.31Å; M347-K349 PolarHBondContact O-N 2.93Å; M347-T350 PolarHBondContact O-N 3.03Å; M347-T350 VanDerWaalsContact O-N 3.13Å; M347-I351 HydrophobicContact CG-CG1 4.04Å; M347-I351 PolarHBondContact O-N 3.03Å; M347-I351 VanDerWaalsContact O-N 3.16Å; M347-I351 HydrophobicContact SD-CD1 4.36Å; M347-I351 HydrophobicContact SD-CG1 4.25Å; M347-Y426 HydrophobicContact CB-CE1 4.26Å; M347-Y426 HydrophobicContact CB-CE2 3.76Å; M347-Y426 WeakPolarHBondContact CB-OH 3.45Å; M347-Y426 PolarHBondContact N-OH 3.2Å; M347-E436 PolarHBondContact N-OE1 3.26Å
348	S	91.6	Very high	87.5	Confident	1 Å²	1	51.2 Å²	51.2	1%	0.007	26%	0.255	C	S	.	.	H	α-helix	trans	-61.6	-38.7	-174	-64.5	0	0	0	0	112.7	N346 T350 G352 M423 Y426 E436 A440	N346-S348 VanDerWaalsContact C-N 3.34Å; N346-S348 PolarHBondContact O-N 3.21Å; S348-T350 VanDerWaalsContact C-N 3.35Å; S348-T350 PolarHBondContact O-N 3.09Å; S348-G352 WeakPolarHBondContact O-CA 3.36Å; S348-G352 PolarHBondContact O-N 2.88Å; S348-M423 PolarHBondContact OG-SD 3.12Å; S348-Y426 VanDerWaalsContact OG-CE1 3.27Å; S348-Y426 WeakPolarHBondContact OG-CE1 3.23Å; S348-E436 WeakPolarHBondContact CB-OE1 3.32Å; S348-E436 PolarHBondContact N-OE1 3.49Å; S348-E436 PolarHBondContact OG-OE1 2.88Å; S348-A440 VanDerWaalsContact OG-CA 3.24Å; S348-A440 WeakPolarHBondContact OG-CA 3.28Å; S348-A440 VanDerWaalsContact OG-CB 3.3Å; S348-A440 WeakPolarHBondContact OG-CB 3.17Å; S348-A440 PolarHBondContact OG-N 3.14Å
349	K	88.9	Confident	87.3	Confident	147 Å²	147	51.9 Å²	51.9	64%	0.639	25%	0.247	S	C	*	.	H	α-helix	trans	-60.5	-42	175.5	-176.1	177.1	179.7	178.2	0	112.5	M347 T353	M347-K349 VanDerWaalsContact C-N 3.31Å; M347-K349 PolarHBondContact O-N 2.93Å; K349-T353 WeakPolarHBondContact O-CB 3.11Å; K349-T353 PolarHBondContact O-N 3.46Å; K349-T353 VanDerWaalsContact O-N 3.11Å; K349-T353 PolarHBondContact O-OG1 2.8Å
350	T	89.9	Confident	87.2	Confident	20 Å²	20	47.3 Å²	47.3	12%	0.123	22%	0.224	C	C	.	.	H	α-helix	trans	-66.5	-54.7	-179.8	-65.8	0	0	0	0	110.6	L329 E332 I333 M347 S348 G352 T353 F354	L329-T350 HydrophobicContact CD1-CG2 4.37Å; E332-T350 HydrophobicContact CB-CG2 3.8Å; I333-T350 HydrophobicContact CG1-CG2 4.06Å; M347-T350 PolarHBondContact O-N 3.03Å; M347-T350 VanDerWaalsContact O-N 3.13Å; S348-T350 VanDerWaalsContact C-N 3.35Å; S348-T350 PolarHBondContact O-N 3.09Å; T350-G352 PolarHBondContact O-N 2.75Å; T350-T353 PolarHBondContact O-N 2.83Å; T350-F354 WeakPolarHBondContact O-CD2 3.48Å; T350-F354 PolarHBondContact O-N 2.68Å
351	I	91.3	Very high	87.1	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.015	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-42.9	-179.3	-55.9	-59.4	0	0	0	111.4	F268 L329 I333 M347 T353 F354 A355 M423 L447	F268-I351 HydrophobicContact CD1-CD1 3.64Å; F268-I351 HydrophobicContact CD1-CG1 3.98Å; F268-I351 HydrophobicContact CE1-CD1 3.82Å; F268-I351 HydrophobicContact CE1-CG1 3.69Å; F268-I351 HydrophobicContact CE1-CG2 4.49Å; F268-I351 HydrophobicContact CG-CD1 4.46Å; F268-I351 HydrophobicContact CZ-CG1 4.24Å; L329-I351 HydrophobicContact CD1-CD1 4.22Å; I333-I351 HydrophobicContact CD1-CD1 3.69Å; I333-I351 HydrophobicContact CG1-CD1 4.02Å; M347-I351 HydrophobicContact CG-CG1 4.04Å; M347-I351 PolarHBondContact O-N 3.03Å; M347-I351 VanDerWaalsContact O-N 3.16Å; M347-I351 HydrophobicContact SD-CD1 4.36Å; M347-I351 HydrophobicContact SD-CG1 4.25Å; I351-T353 PolarHBondContact O-N 3.45Å; I351-F354 PolarHBondContact O-N 3.38Å; I351-F354 VanDerWaalsContact O-N 3.11Å; I351-A355 PolarHBondContact O-N 3.18Å; I351-M423 HydrophobicContact CB-CE 3.46Å; I351-M423 VanDerWaalsContact CB-CE 3.46Å; I351-M423 HydrophobicContact CG1-CE 3.57Å; I351-M423 HydrophobicContact CG2-CE 3.79Å; I351-L447 HydrophobicContact CG2-CD1 3.94Å
352	G	88.1	Confident	87.1	Confident	13 Å²	13	46.8 Å²	46.8	13%	0.134	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-26.1	178	0	0	0	0	0	114.1	S348 T350	S348-G352 WeakPolarHBondContact O-CA 3.36Å; S348-G352 PolarHBondContact O-N 2.88Å; T350-G352 PolarHBondContact O-N 2.75Å
353	T	89.5	Confident	87.2	Confident	58 Å²	58	49.4 Å²	49.4	36%	0.356	24%	0.239	S	C	.	.	H	α-helix	trans	-74	-34.7	173.3	-59.9	0	0	0	0	112.1	V57 K349 T350 I351 F357	V57-T353 HydrophobicContact CG1-CG2 3.87Å; K349-T353 WeakPolarHBondContact O-CB 3.11Å; K349-T353 PolarHBondContact O-N 3.46Å; K349-T353 VanDerWaalsContact O-N 3.11Å; K349-T353 PolarHBondContact O-OG1 2.8Å; T350-T353 PolarHBondContact O-N 2.83Å; I351-T353 PolarHBondContact O-N 3.45Å; T353-F357 WeakPolarHBondContact O-CD2 3.34Å
354	F	89.3	Confident	87.4	Confident	23 Å²	23	43.8 Å²	43.8	10%	0.101	22%	0.218	C	C	.	.	H	α-helix	trans	-89.1	-13	-179.2	-79.7	-96.6	0	0	0	114.1	M328 L329 E332 T350 I351 D356 F357 L358	M328-F354 HydrophobicContact CB-CE1 3.93Å; M328-F354 HydrophobicContact CB-CZ 4.12Å; L329-F354 HydrophobicContact CB-CD1 3.78Å; L329-F354 HydrophobicContact CB-CE1 3.93Å; L329-F354 HydrophobicContact CB-CG 4.11Å; L329-F354 HydrophobicContact CB-CZ 4.38Å; L329-F354 HydrophobicContact CD1-CB 3.87Å; L329-F354 HydrophobicContact CD1-CD1 4.28Å; L329-F354 HydrophobicContact CD1-CD2 3.73Å; L329-F354 HydrophobicContact CD1-CE2 4.3Å; L329-F354 HydrophobicContact CD1-CG 3.7Å; L329-F354 HydrophobicContact CD2-CB 4.27Å; L329-F354 HydrophobicContact CG-CD1 4.47Å; L329-F354 HydrophobicContact CG-CG 4.33Å; E332-F354 HydrophobicContact CB-CE2 4.35Å; E332-F354 HydrophobicContact CG-CE2 4.02Å; E332-F354 HydrophobicContact CG-CZ 4.22Å; T350-F354 WeakPolarHBondContact O-CD2 3.48Å; T350-F354 PolarHBondContact O-N 2.68Å; I351-F354 PolarHBondContact O-N 3.38Å; I351-F354 VanDerWaalsContact O-N 3.11Å; F354-D356 VanDerWaalsContact C-N 3.33Å; F354-D356 PolarHBondContact O-N 3.35Å; F354-F357 WeakPolarHBondContact O-CB 3.25Å; F354-F357 PolarHBondContact O-N 2.83Å; F354-L358 PolarHBondContact O-N 2.89Å
355	A	87.4	Confident	87.4	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-51.8	-44.5	-176.5	0	0	0	0	0	113.8	I351 F357 L358 K446 L447	I351-A355 PolarHBondContact O-N 3.18Å; A355-F357 VanDerWaalsContact C-N 3.34Å; A355-F357 PolarHBondContact O-N 2.79Å; A355-L358 WeakPolarHBondContact O-CB 3.49Å; A355-L358 PolarHBondContact O-N 3.45Å; A355-K446 HydrophobicContact CB-CB 3.95Å; A355-L447 HydrophobicContact CB-CD2 3.84Å; A355-L447 HydrophobicContact CB-CG 4.15Å
356	D	84.9	Confident	87.2	Confident	81 Å²	81	36.6 Å²	36.6	43%	0.433	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-67.9	-31	177.3	-83.1	-65.9	0	0	0	113.6	F354 L358 K359	F354-D356 VanDerWaalsContact C-N 3.33Å; F354-D356 PolarHBondContact O-N 3.35Å; D356-L358 VanDerWaalsContact C-N 3.29Å; D356-L358 PolarHBondContact O-N 2.95Å; D356-K359 WeakPolarHBondContact O-CB 3.37Å; D356-K359 WeakPolarHBondContact O-CD 3.41Å; D356-K359 VanDerWaalsContact O-CG 3.29Å; D356-K359 WeakPolarHBondContact O-CG 3.47Å; D356-K359 PolarHBondContact O-N 2.94Å; D356-K359 WeakPolarHBondContact OD1-CE 3.15Å; D356-K359 IonicContact OD1-NZ 2.73Å; D356-K359 PolarHBondContact OD1-NZ 2.82Å
357	F	85.7	Confident	86.9	Confident	54 Å²	54	36.9 Å²	36.9	24%	0.237	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-75.1	-17.8	178.9	-63	-86	0	0	0	112.7	A61 L64 I325 T353 F354 A355 K359 C360	A61-F357 HydrophobicContact CB-CZ 4.42Å; L64-F357 HydrophobicContact CB-CE1 4.08Å; L64-F357 HydrophobicContact CD1-CD1 3.85Å; L64-F357 HydrophobicContact CD1-CE1 3.54Å; L64-F357 HydrophobicContact CD1-CZ 3.98Å; L64-F357 HydrophobicContact CG-CE1 4.43Å; I325-F357 HydrophobicContact CG2-CB 3.99Å; T353-F357 WeakPolarHBondContact O-CD2 3.34Å; F354-F357 WeakPolarHBondContact O-CB 3.25Å; F354-F357 PolarHBondContact O-N 2.83Å; A355-F357 VanDerWaalsContact C-N 3.34Å; A355-F357 PolarHBondContact O-N 2.79Å; F357-K359 PolarHBondContact O-N 2.65Å; F357-K359 VanDerWaalsContact O-N 3.08Å; F357-C360 WeakPolarHBondContact O-CB 3.4Å; F357-C360 PolarHBondContact O-N 3.13Å; F357-C360 PolarHBondContact O-SG 3.2Å
358	L	85.3	Confident	86.5	Confident	5 Å²	5	37.9 Å²	37.9	3%	0.026	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-60.8	-16.6	173.4	-62.2	179.3	0	0	0	113.3	H326 F354 A355 D356 C360 C361 F416 Y419 L447 V450	H326-L358 VanDerWaalsContact CE1-CD2 3.44Å; H326-L358 WeakPolarHBondContact CE1-CD2 3.31Å; F354-L358 PolarHBondContact O-N 2.89Å; A355-L358 WeakPolarHBondContact O-CB 3.49Å; A355-L358 PolarHBondContact O-N 3.45Å; D356-L358 VanDerWaalsContact C-N 3.29Å; D356-L358 PolarHBondContact O-N 2.95Å; L358-C360 PolarHBondContact O-N 3.02Å; L358-C360 VanDerWaalsContact O-N 3.13Å; L358-C361 WeakPolarHBondContact O-CB 3.41Å; L358-C361 PolarHBondContact O-N 3.16Å; L358-F416 HydrophobicContact CB-CD2 4.07Å; L358-F416 HydrophobicContact CB-CE2 4.07Å; L358-Y419 HydrophobicContact CD1-CD2 3.61Å; L358-Y419 HydrophobicContact CD1-CE2 4.16Å; L358-Y419 HydrophobicContact CD1-CG 4.25Å; L358-Y419 HydrophobicContact CD2-CD2 4.06Å; L358-Y419 HydrophobicContact CD2-CE2 3.72Å; L358-L447 HydrophobicContact CD1-CD2 3.51Å; L358-V450 HydrophobicContact CB-CG1 4.45Å
359	K	83.8	Confident	85.8	Confident	98 Å²	98	40.4 Å²	40.4	43%	0.426	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-58.2	-19.1	170.5	-63.6	170.9	-163.2	163.5	0	112.8	D356 F357 C361 Q362 V450	D356-K359 WeakPolarHBondContact O-CB 3.37Å; D356-K359 WeakPolarHBondContact O-CD 3.41Å; D356-K359 VanDerWaalsContact O-CG 3.29Å; D356-K359 WeakPolarHBondContact O-CG 3.47Å; D356-K359 PolarHBondContact O-N 2.94Å; D356-K359 WeakPolarHBondContact OD1-CE 3.15Å; D356-K359 IonicContact OD1-NZ 2.73Å; D356-K359 PolarHBondContact OD1-NZ 2.82Å; F357-K359 PolarHBondContact O-N 2.65Å; F357-K359 VanDerWaalsContact O-N 3.08Å; K359-C361 PolarHBondContact O-N 3Å; K359-C361 VanDerWaalsContact O-N 3.14Å; K359-Q362 VanDerWaalsContact O-CB 3.23Å; K359-Q362 WeakPolarHBondContact O-CB 3.14Å; K359-Q362 PolarHBondContact O-N 3.29Å; K359-V450 HydrophobicContact CG-CG1 4.13Å; K359-V450 HydrophobicContact CG-CG2 4.48Å
360	C	85.5	Confident	85.5	Confident	27 Å²	27	37 Å²	37	18%	0.182	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-57.9	-22.4	170.8	68.8	0	0	0	0	113.9	I325 F357 L358 Q362 P363	I325-C360 HydrophobicContact CD1-CB 3.58Å; F357-C360 WeakPolarHBondContact O-CB 3.4Å; F357-C360 PolarHBondContact O-N 3.13Å; F357-C360 PolarHBondContact O-SG 3.2Å; L358-C360 PolarHBondContact O-N 3.02Å; L358-C360 VanDerWaalsContact O-N 3.13Å; C360-Q362 VanDerWaalsContact C-N 3.31Å; C360-P363 WeakPolarHBondContact O-CD 3.4Å
361	C	86.1	Confident	85.4	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.007	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-73.6	-20.3	174	-67	0	0	0	0	113.2	L358 K359 F364 L365 V412 F416	L358-C361 WeakPolarHBondContact O-CB 3.41Å; L358-C361 PolarHBondContact O-N 3.16Å; K359-C361 PolarHBondContact O-N 3Å; K359-C361 VanDerWaalsContact O-N 3.14Å; C361-F364 PolarHBondContact O-N 2.64Å; C361-F364 VanDerWaalsContact O-N 3.12Å; C361-L365 HydrophobicContact CB-CD1 3.98Å; C361-L365 HydrophobicContact CB-CG 4.43Å; C361-L365 WeakPolarHBondContact O-CG 3.34Å; C361-L365 PolarHBondContact O-N 3.38Å; C361-V412 HydrophobicContact CB-CG1 3.91Å; C361-F416 HydrophobicContact CB-CD2 4.17Å
362	Q	84.1	Confident	84.8	Confident	62 Å²	62	37.8 Å²	37.8	29%	0.29	21%	0.208	S	C	.	.	H	α-helix	trans	-57.6	-44.6	-170.9	-176.1	173.1	6.8	0	0	114.2	K359 C360 F364 L365 D366 V454	K359-Q362 VanDerWaalsContact O-CB 3.23Å; K359-Q362 WeakPolarHBondContact O-CB 3.14Å; K359-Q362 PolarHBondContact O-N 3.29Å; C360-Q362 VanDerWaalsContact C-N 3.31Å; Q362-F364 PolarHBondContact O-N 2.72Å; Q362-L365 PolarHBondContact O-N 3.11Å; Q362-L365 VanDerWaalsContact O-N 3.07Å; Q362-D366 WeakPolarHBondContact O-CB 3.35Å; Q362-D366 VanDerWaalsContact O-CG 3.31Å; Q362-D366 PolarHBondContact O-N 3.41Å; Q362-V454 HydrophobicContact CB-CG2 4.48Å; Q362-V454 HydrophobicContact CG-CG2 4.31Å
363	P	85.8	Confident	84.4	Confident	58 Å²	58	41.9 Å²	41.9	38%	0.377	23%	0.227	S	C	.	.	H	α-helix	trans	-62.2	-28.9	178.7	-23.5	35.4	0	0	0	113.7	I318 C360 N367	I318-P363 HydrophobicContact CG2-CB 4.34Å; C360-P363 WeakPolarHBondContact O-CD 3.4Å; P363-N367 PolarHBondContact O-ND2 2.89Å
364	F	87.4	Confident	84.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-74.4	-44.9	172.1	177.1	-99	0	0	0	111.3	I315 I318 M319 I322 C361 Q362 N367 K368 F371 L409 V412	I315-F364 HydrophobicContact CG2-CE2 4.42Å; I318-F364 HydrophobicContact CG2-CB 3.77Å; M319-F364 HydrophobicContact CE-CD1 4.38Å; M319-F364 HydrophobicContact CE-CD2 3.75Å; M319-F364 HydrophobicContact CE-CE1 4.08Å; M319-F364 HydrophobicContact CE-CE2 3.42Å; M319-F364 VanDerWaalsContact CE-CE2 3.42Å; M319-F364 HydrophobicContact CE-CG 4.22Å; M319-F364 HydrophobicContact CE-CZ 3.6Å; I322-F364 HydrophobicContact CD1-CB 4.05Å; C361-F364 PolarHBondContact O-N 2.64Å; C361-F364 VanDerWaalsContact O-N 3.12Å; Q362-F364 PolarHBondContact O-N 2.72Å; F364-N367 PolarHBondContact O-N 3.08Å; F364-K368 HydrophobicContact CE1-CB 4.5Å; F364-K368 HydrophobicContact CE1-CD 4.49Å; F364-K368 HydrophobicContact CE1-CG 4.12Å; F364-K368 HydrophobicContact CZ-CG 4.32Å; F364-K368 WeakPolarHBondContact O-CA 3.36Å; F364-K368 WeakPolarHBondContact O-CB 3.43Å; F364-K368 PolarHBondContact O-N 3.35Å; F364-F371 AromaticContact CD2-CD2 3.88Å; F364-F371 HydrophobicContact CD2-CD2 3.88Å; F364-F371 AromaticContact CD2-CE2 3.81Å; F364-F371 HydrophobicContact CD2-CE2 3.81Å; F364-F371 AromaticContact CE2-CD2 3.71Å; F364-F371 HydrophobicContact CE2-CD2 3.71Å; F364-F371 HydrophobicContact CE2-CE2 4.12Å; F364-L409 WeakPolarHBondContact CE1-O 3.01Å; F364-L409 HydrophobicContact CE2-CD2 4.25Å; F364-L409 HydrophobicContact CZ-CB 4.13Å; F364-L409 HydrophobicContact CZ-CD2 3.94Å; F364-V412 HydrophobicContact CD1-CB 3.71Å; F364-V412 HydrophobicContact CD1-CG1 3.7Å; F364-V412 HydrophobicContact CD1-CG2 3.8Å; F364-V412 HydrophobicContact CE1-CB 3.77Å; F364-V412 HydrophobicContact CE1-CG1 4.29Å; F364-V412 HydrophobicContact CE1-CG2 3.76Å
365	L	83.4	Confident	84	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-63.7	-49.7	-176.8	-65.5	173.9	0	0	0	111.3	C361 Q362 N367 K368 V412 H413 F416 V454 M458	C361-L365 HydrophobicContact CB-CD1 3.98Å; C361-L365 HydrophobicContact CB-CG 4.43Å; C361-L365 WeakPolarHBondContact O-CG 3.34Å; C361-L365 PolarHBondContact O-N 3.38Å; Q362-L365 PolarHBondContact O-N 3.11Å; Q362-L365 VanDerWaalsContact O-N 3.07Å; L365-N367 PolarHBondContact O-N 3.09Å; L365-N367 VanDerWaalsContact O-N 3.16Å; L365-K368 WeakPolarHBondContact O-CB 3.46Å; L365-K368 PolarHBondContact O-N 3.36Å; L365-V412 HydrophobicContact CD2-CB 4.47Å; L365-V412 HydrophobicContact CD2-CG1 4.04Å; L365-V412 HydrophobicContact CG-CG1 4.32Å; L365-H413 HydrophobicContact CD2-CB 3.57Å; L365-F416 HydrophobicContact CD1-CD1 3.97Å; L365-F416 HydrophobicContact CD1-CD2 4.45Å; L365-F416 HydrophobicContact CD1-CE1 4.23Å; L365-F416 HydrophobicContact CD1-CG 4.09Å; L365-V454 HydrophobicContact CB-CG1 4.14Å; L365-V454 HydrophobicContact CD1-CG1 3.85Å; L365-M458 WeakPolarHBondContact O-CE 3.29Å
366	D	82.6	Confident	83.7	Confident	49 Å²	49	44 Å²	44	26%	0.262	23%	0.234	S	C	.	.	H	α-helix	trans	-51.7	-38.4	177.2	-72.8	-9.5	0	0	0	112.7	Q362 K457	Q362-D366 WeakPolarHBondContact O-CB 3.35Å; Q362-D366 VanDerWaalsContact O-CG 3.31Å; Q362-D366 PolarHBondContact O-N 3.41Å; D366-K457 VanDerWaalsContact CG-NZ 3.31Å; D366-K457 WeakPolarHBondContact OD1-CD 3.48Å; D366-K457 IonicContact OD1-NZ 3.3Å; D366-K457 IonicContact OD2-NZ 3.86Å; D366-K457 PolarHBondContact OD2-NZ 2.89Å
367	N	83.8	Confident	83.5	Confident	74 Å²	74	44.5 Å²	44.5	40%	0.396	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	3.7	-177.2	-66.2	-79.4	0	0	0	113.5	P363 F364 L365 A369 D370 F371	P363-N367 PolarHBondContact O-ND2 2.89Å; F364-N367 PolarHBondContact O-N 3.08Å; L365-N367 PolarHBondContact O-N 3.09Å; L365-N367 VanDerWaalsContact O-N 3.16Å; N367-A369 PolarHBondContact O-N 3.33Å; N367-D370 WeakPolarHBondContact O-CB 3.41Å; N367-D370 PolarHBondContact O-N 3.48Å; N367-F371 HydrophobicContact CB-CD2 4.09Å; N367-F371 HydrophobicContact CB-CE1 4.22Å; N367-F371 HydrophobicContact CB-CE2 3.47Å; N367-F371 VanDerWaalsContact CB-CE2 3.47Å; N367-F371 HydrophobicContact CB-CZ 3.54Å; N367-F371 VanDerWaalsContact O-CD2 3.31Å; N367-F371 WeakPolarHBondContact O-CD2 3.33Å; N367-F371 WeakPolarHBondContact O-CG 3.46Å; N367-F371 PolarHBondContact O-N 3.49Å
368	K	82.9	Confident	83.5	Confident	20 Å²	20	42.3 Å²	42.3	9%	0.087	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-41.6	-170.1	-175.7	-167.3	169.6	-149.8	0	113.1	F364 L365 D370 F371 L372 L409 D410	F364-K368 HydrophobicContact CE1-CB 4.5Å; F364-K368 HydrophobicContact CE1-CD 4.49Å; F364-K368 HydrophobicContact CE1-CG 4.12Å; F364-K368 HydrophobicContact CZ-CG 4.32Å; F364-K368 WeakPolarHBondContact O-CA 3.36Å; F364-K368 WeakPolarHBondContact O-CB 3.43Å; F364-K368 PolarHBondContact O-N 3.35Å; L365-K368 WeakPolarHBondContact O-CB 3.46Å; L365-K368 PolarHBondContact O-N 3.36Å; K368-D370 VanDerWaalsContact C-N 3.32Å; K368-D370 PolarHBondContact O-N 2.72Å; K368-F371 PolarHBondContact O-N 2.8Å; K368-L372 HydrophobicContact CG-CD1 4.15Å; K368-L372 WeakPolarHBondContact O-CB 3.22Å; K368-L372 VanDerWaalsContact O-CG 3.3Å; K368-L372 WeakPolarHBondContact O-CG 3.17Å; K368-L372 PolarHBondContact O-N 3Å; K368-L409 WeakPolarHBondContact CE-O 3.1Å; K368-D410 VanDerWaalsContact CE-OD1 3.3Å; K368-D410 WeakPolarHBondContact CE-OD1 3.43Å; K368-D410 IonicContact NZ-OD1 3.16Å; K368-D410 PolarHBondContact NZ-OD1 3.38Å
369	A	76.2	Confident	83.4	Confident	54 Å²	54	43 Å²	43	45%	0.446	23%	0.226	S	C	.	.	H	α-helix	trans	-62.3	-42.5	178.4	0	0	0	0	0	111.2	N367 L372 N373	N367-A369 PolarHBondContact O-N 3.33Å; A369-L372 PolarHBondContact O-N 3.38Å; A369-N373 WeakPolarHBondContact O-CB 3.49Å; A369-N373 VanDerWaalsContact O-CG 3.24Å; A369-N373 PolarHBondContact O-N 3.36Å; A369-N373 PolarHBondContact O-ND2 2.87Å
370	D	83.1	Confident	83.1	Confident	76 Å²	76	43.3 Å²	43.3	41%	0.406	23%	0.232	S	C	.	.	H	α-helix	trans	-62.5	-45.5	174.8	-100.7	38.1	0	0	0	112.3	N367 K368 L372 N373 K374	N367-D370 WeakPolarHBondContact O-CB 3.41Å; N367-D370 PolarHBondContact O-N 3.48Å; K368-D370 VanDerWaalsContact C-N 3.32Å; K368-D370 PolarHBondContact O-N 2.72Å; D370-L372 PolarHBondContact O-N 2.76Å; D370-N373 PolarHBondContact O-N 3.25Å; D370-K374 HydrophobicContact CB-CD 4.49Å; D370-K374 VanDerWaalsContact O-CB 3.27Å; D370-K374 WeakPolarHBondContact O-CB 3.26Å; D370-K374 WeakPolarHBondContact O-CD 3.31Å; D370-K374 VanDerWaalsContact O-CG 3.23Å; D370-K374 WeakPolarHBondContact O-CG 3.12Å; D370-K374 PolarHBondContact O-N 2.73Å; D370-K374 IonicContact OD2-NZ 2.65Å; D370-K374 PolarHBondContact OD2-NZ 2.97Å
371	F	86.3	Confident	82.9	Confident	6 Å²	6	46.9 Å²	46.9	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-61.8	-42.1	175.7	-62.7	-37.8	0	0	0	112.2	V311 Q314 I315 I318 F364 N367 K368 L375	V311-F371 HydrophobicContact CG2-CB 4.32Å; V311-F371 HydrophobicContact CG2-CD1 3.94Å; Q314-F371 HydrophobicContact CB-CE1 3.85Å; I315-F371 HydrophobicContact CD1-CB 4.21Å; I315-F371 HydrophobicContact CG1-CB 4.2Å; I315-F371 HydrophobicContact CG1-CD1 4.19Å; I315-F371 HydrophobicContact CG1-CD2 4.24Å; I315-F371 HydrophobicContact CG1-CG 3.96Å; I318-F371 HydrophobicContact CD1-CE2 3.84Å; I318-F371 HydrophobicContact CD1-CZ 3.64Å; F364-F371 AromaticContact CD2-CD2 3.88Å; F364-F371 HydrophobicContact CD2-CD2 3.88Å; F364-F371 AromaticContact CD2-CE2 3.81Å; F364-F371 HydrophobicContact CD2-CE2 3.81Å; F364-F371 AromaticContact CE2-CD2 3.71Å; F364-F371 HydrophobicContact CE2-CD2 3.71Å; F364-F371 HydrophobicContact CE2-CE2 4.12Å; N367-F371 HydrophobicContact CB-CD2 4.09Å; N367-F371 HydrophobicContact CB-CE1 4.22Å; N367-F371 HydrophobicContact CB-CE2 3.47Å; N367-F371 VanDerWaalsContact CB-CE2 3.47Å; N367-F371 HydrophobicContact CB-CZ 3.54Å; N367-F371 VanDerWaalsContact O-CD2 3.31Å; N367-F371 WeakPolarHBondContact O-CD2 3.33Å; N367-F371 WeakPolarHBondContact O-CG 3.46Å; N367-F371 PolarHBondContact O-N 3.49Å; K368-F371 PolarHBondContact O-N 2.8Å; F371-L375 WeakPolarHBondContact O-CB 3.12Å; F371-L375 PolarHBondContact O-N 3.26Å
372	L	80.1	Confident	82.8	Confident	33 Å²	33	47.8 Å²	47.8	17%	0.173	25%	0.251	C	S	.	.	H	α-helix	trans	-60.9	-48.1	174.9	-74.6	165.4	0	0	0	111.5	K368 A369 D370 L375 L376 I406 L409	K368-L372 HydrophobicContact CG-CD1 4.15Å; K368-L372 WeakPolarHBondContact O-CB 3.22Å; K368-L372 VanDerWaalsContact O-CG 3.3Å; K368-L372 WeakPolarHBondContact O-CG 3.17Å; K368-L372 PolarHBondContact O-N 3Å; A369-L372 PolarHBondContact O-N 3.38Å; D370-L372 PolarHBondContact O-N 2.76Å; L372-L375 PolarHBondContact O-N 2.82Å; L372-L376 VanDerWaalsContact O-CB 3.29Å; L372-L376 WeakPolarHBondContact O-CB 3.35Å; L372-L376 WeakPolarHBondContact O-CG 3.39Å; L372-L376 PolarHBondContact O-N 3.41Å; L372-I406 HydrophobicContact CD2-CG2 3.67Å; L372-I406 WeakPolarHBondContact CD2-O 3.44Å; L372-L409 HydrophobicContact CD2-CB 4.17Å; L372-L409 HydrophobicContact CD2-CD1 4.03Å; L372-L409 HydrophobicContact CG-CD1 4.41Å
373	N	79.3	Confident	82.6	Confident	100 Å²	100	51.1 Å²	51.1	54%	0.535	27%	0.265	S	S	.	.	H	α-helix	trans	-64.5	-48.3	-180	-71.7	-25.4	0	0	0	111.9	A369 D370 L375 L376 Q377	A369-N373 WeakPolarHBondContact O-CB 3.49Å; A369-N373 VanDerWaalsContact O-CG 3.24Å; A369-N373 PolarHBondContact O-N 3.36Å; A369-N373 PolarHBondContact O-ND2 2.87Å; D370-N373 PolarHBondContact O-N 3.25Å; N373-L375 PolarHBondContact O-N 3.18Å; N373-L376 PolarHBondContact O-N 3.31Å; N373-Q377 WeakPolarHBondContact O-CB 3.07Å; N373-Q377 PolarHBondContact O-N 2.89Å
374	K	84.9	Confident	82.4	Confident	76 Å²	76	51.9 Å²	51.9	33%	0.33	26%	0.264	S	S	.	.	H	α-helix	trans	-62.5	-39.5	178.2	-71.4	160.3	179	158.2	0	111.9	V311 D370 L378	V311-K374 HydrophobicContact CB-CB 4.17Å; V311-K374 HydrophobicContact CG2-CB 3.77Å; D370-K374 HydrophobicContact CB-CD 4.49Å; D370-K374 VanDerWaalsContact O-CB 3.27Å; D370-K374 WeakPolarHBondContact O-CB 3.26Å; D370-K374 WeakPolarHBondContact O-CD 3.31Å; D370-K374 VanDerWaalsContact O-CG 3.23Å; D370-K374 WeakPolarHBondContact O-CG 3.12Å; D370-K374 PolarHBondContact O-N 2.73Å; D370-K374 IonicContact OD2-NZ 2.65Å; D370-K374 PolarHBondContact OD2-NZ 2.97Å; K374-L378 WeakPolarHBondContact O-CB 3.09Å; K374-L378 PolarHBondContact O-N 2.76Å
375	L	84.9	Confident	82.4	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-71.4	-38.3	176.4	-172.1	71.5	0	0	0	112.5	V311 V312 F371 L372 N373 R379 F385 V405 I406 L409	V311-L375 HydrophobicContact CG1-CB 4.11Å; V311-L375 HydrophobicContact CG1-CD1 3.76Å; V312-L375 HydrophobicContact CG2-CD1 4.44Å; F371-L375 WeakPolarHBondContact O-CB 3.12Å; F371-L375 PolarHBondContact O-N 3.26Å; L372-L375 PolarHBondContact O-N 2.82Å; N373-L375 PolarHBondContact O-N 3.18Å; L375-R379 WeakPolarHBondContact O-CG 3.1Å; L375-R379 PolarHBondContact O-N 3.2Å; L375-F385 HydrophobicContact CD1-CE1 3.73Å; L375-F385 HydrophobicContact CD1-CZ 3.74Å; L375-V405 HydrophobicContact CD2-CG1 3.92Å; L375-I406 HydrophobicContact CD2-CG1 3.85Å; L375-I406 HydrophobicContact CG-CG1 4.42Å; L375-L409 HydrophobicContact CD2-CD1 4.13Å
376	L	81.1	Confident	82.3	Confident	50 Å²	50	52.6 Å²	52.6	26%	0.262	27%	0.267	S	S	.	.	H	α-helix	trans	-64.4	-41.9	172.8	-84.5	164.9	0	0	0	111.8	L372 N373 R379 N380 I406	L372-L376 VanDerWaalsContact O-CB 3.29Å; L372-L376 WeakPolarHBondContact O-CB 3.35Å; L372-L376 WeakPolarHBondContact O-CG 3.39Å; L372-L376 PolarHBondContact O-N 3.41Å; N373-L376 PolarHBondContact O-N 3.31Å; L376-R379 PolarHBondContact O-N 3.43Å; L376-N380 PolarHBondContact O-N 3.3Å; L376-N380 VanDerWaalsContact O-N 3.14Å; L376-N380 PolarHBondContact O-ND2 3.2Å; L376-I406 HydrophobicContact CD2-CD1 3.67Å; L376-I406 HydrophobicContact CG-CD1 4.13Å
377	Q	82.3	Confident	82.3	Confident	90 Å²	90	51 Å²	51	42%	0.421	26%	0.258	S	S	.	.	H	α-helix	trans	-61.2	-52.3	175.5	-179.5	173.1	4.2	0	0	110.8	N373 R379 N380 E381	N373-Q377 WeakPolarHBondContact O-CB 3.07Å; N373-Q377 PolarHBondContact O-N 2.89Å; Q377-R379 VanDerWaalsContact C-N 3.33Å; Q377-R379 PolarHBondContact O-N 3.1Å; Q377-N380 PolarHBondContact O-N 3.41Å; Q377-E381 VanDerWaalsContact CG-CD 3.44Å; Q377-E381 HydrophobicContact CG-CG 4.22Å; Q377-E381 WeakPolarHBondContact CG-OE1 3.43Å; Q377-E381 PolarHBondContact NE2-OE1 3.1Å; Q377-E381 WeakPolarHBondContact O-CG 3.34Å; Q377-E381 PolarHBondContact O-N 3.4Å
378	L	83.9	Confident	82.3	Confident	9 Å²	9	47.4 Å²	47.4	5%	0.047	24%	0.239	C	C	.	.	H	α-helix	trans	-55.6	-42.7	176.9	-84.8	163.6	0	0	0	112.9	H305 V311 K374 N380 E381 D382 F385	H305-L378 HydrophobicContact CB-CD2 4.11Å; H305-L378 VanDerWaalsContact CD2-CD2 3.49Å; H305-L378 WeakPolarHBondContact CD2-CD2 3.22Å; V311-L378 HydrophobicContact CB-CD1 4.21Å; V311-L378 HydrophobicContact CG1-CD1 3.56Å; K374-L378 WeakPolarHBondContact O-CB 3.09Å; K374-L378 PolarHBondContact O-N 2.76Å; L378-N380 VanDerWaalsContact C-N 3.27Å; L378-N380 PolarHBondContact O-N 3.49Å; L378-E381 PolarHBondContact O-N 2.97Å; L378-D382 WeakPolarHBondContact O-CA 3.36Å; L378-D382 WeakPolarHBondContact O-CB 3.29Å; L378-D382 PolarHBondContact O-N 2.97Å; L378-F385 HydrophobicContact CB-CD1 4.06Å; L378-F385 HydrophobicContact CB-CE1 3.94Å
379	R	83.2	Confident	82.5	Confident	18 Å²	18	46.5 Å²	46.5	7%	0.068	24%	0.235	C	C	.	.	H	α-helix	trans	-71.6	-15.8	176.2	-69.7	-178.8	72.2	159.8	10.3	114.7	L375 L376 Q377 F385 D386 T389 E393	L375-R379 WeakPolarHBondContact O-CG 3.1Å; L375-R379 PolarHBondContact O-N 3.2Å; L376-R379 PolarHBondContact O-N 3.43Å; Q377-R379 VanDerWaalsContact C-N 3.33Å; Q377-R379 PolarHBondContact O-N 3.1Å; R379-F385 HydrophobicContact CG-CD1 3.81Å; R379-F385 HydrophobicContact CG-CE1 3.83Å; R379-D386 HydrophobicContact CB-CB 4.16Å; R379-D386 HydrophobicContact CG-CB 4.39Å; R379-D386 IonicContact CZ-OD1 3.11Å; R379-D386 VanDerWaalsContact CZ-OD1 3.24Å; R379-D386 IonicContact NE-OD1 3.21Å; R379-D386 PolarHBondContact NE-OD1 3.11Å; R379-D386 IonicContact NH2-OD1 2.69Å; R379-D386 PolarHBondContact NH2-OD1 3.03Å; R379-D386 WeakPolarHBondContact O-CB 3.39Å; R379-T389 VanDerWaalsContact NH1-CG2 3.32Å; R379-E393 IonicContact CZ-OE1 3.49Å; R379-E393 IonicContact CZ-OE2 2.76Å; R379-E393 VanDerWaalsContact NH1-CD 3.35Å; R379-E393 IonicContact NH1-OE1 3.24Å; R379-E393 PolarHBondContact NH1-OE1 3.4Å; R379-E393 IonicContact NH1-OE2 2.64Å; R379-E393 PolarHBondContact NH1-OE2 3.17Å; R379-E393 IonicContact NH2-OE1 2.69Å; R379-E393 IonicContact NH2-OE2 3.91Å; R379-E393 PolarHBondContact NH2-OE2 3.38Å
380	N	77.6	Confident	82.7	Confident	105 Å²	105	44.2 Å²	44.2	56%	0.561	22%	0.215	S	C	*	.	H	α-helix	trans	-92.4	-33.9	174.9	-67.6	-20.9	0	0	0	111.6	L376 Q377 L378 R589	L376-N380 PolarHBondContact O-N 3.3Å; L376-N380 VanDerWaalsContact O-N 3.14Å; L376-N380 PolarHBondContact O-ND2 3.2Å; Q377-N380 PolarHBondContact O-N 3.41Å; L378-N380 VanDerWaalsContact C-N 3.27Å; L378-N380 PolarHBondContact O-N 3.49Å; N380-R589 PolarHBondContact OD1-NH1 2.83Å
381	E	82.6	Confident	82.5	Confident	102 Å²	102	41.1 Å²	41.1	48%	0.477	20%	0.198	S	C	.	.	H	α-helix	trans	-81.4	-43.5	179.1	-69.5	174.6	173.2	0	0	112.2	H305 Q377 L378	H305-E381 IonicContact CD2-OE2 2.68Å; H305-E381 IonicContact CE1-OE2 3.11Å; H305-E381 PolarHBondContact CE1-OE2 2.72Å; H305-E381 IonicContact NE2-OE2 2.77Å; H305-E381 PolarHBondContact NE2-OE2 2.64Å; Q377-E381 VanDerWaalsContact CG-CD 3.44Å; Q377-E381 HydrophobicContact CG-CG 4.22Å; Q377-E381 WeakPolarHBondContact CG-OE1 3.43Å; Q377-E381 PolarHBondContact NE2-OE1 3.1Å; Q377-E381 WeakPolarHBondContact O-CG 3.34Å; Q377-E381 PolarHBondContact O-N 3.4Å; L378-E381 PolarHBondContact O-N 2.97Å
382	D	83.2	Confident	82.4	Confident	21 Å²	21	40.9 Å²	40.9	11%	0.112	20%	0.197	C	C	.	.			trans	-110.9	113.2	-171.8	-167	-41.6	0	0	0	112.2	R299 L378 E384 F385 D386	R299-D382 IonicContact CZ-OD2 3.15Å; R299-D382 VanDerWaalsContact NH1-CG 3.28Å; R299-D382 IonicContact NH1-OD1 3.36Å; R299-D382 PolarHBondContact NH1-OD1 3.25Å; R299-D382 VanDerWaalsContact NH1-OD1 3.11Å; R299-D382 IonicContact NH1-OD2 3.87Å; R299-D382 PolarHBondContact NH1-OD2 3.23Å; R299-D382 IonicContact NH2-OD2 2.67Å; R299-D382 PolarHBondContact NH2-OD2 3.42Å; L378-D382 WeakPolarHBondContact O-CA 3.36Å; L378-D382 WeakPolarHBondContact O-CB 3.29Å; L378-D382 PolarHBondContact O-N 2.97Å; D382-E384 PolarHBondContact OD1-N 3.49Å; D382-F385 HydrophobicContact CB-CB 3.76Å; D382-F385 PolarHBondContact OD1-N 3.45Å; D382-D386 PolarHBondContact O-N 3.1Å
383	K	80.7	Confident	82.4	Confident	132 Å²	132	40 Å²	40	57%	0.574	19%	0.192	S	C	*	.	H	α-helix	trans	-79.3	-29.4	-174.6	-66.3	172.6	-175	168.8	0	113	E387	K383-E387 WeakPolarHBondContact O-CB 3.4Å; K383-E387 PolarHBondContact O-N 3.08Å; K383-E387 VanDerWaalsContact O-N 3.11Å
384	E	81.3	Confident	82.1	Confident	74 Å²	74	36.8 Å²	36.8	35%	0.346	18%	0.176	S	C	.	.	H	α-helix	trans	-75.3	-36.5	175.3	-66.7	89.8	-115.6	0	0	110.3	V297 R299 L301 D382 A388	V297-E384 HydrophobicContact CG1-CG 4.21Å; R299-E384 IonicContact CZ-OE2 3.34Å; R299-E384 IonicContact NH1-OE2 3.88Å; R299-E384 PolarHBondContact NH1-OE2 2.95Å; L301-E384 HydrophobicContact CD2-CB 3.91Å; D382-E384 PolarHBondContact OD1-N 3.49Å; E384-A388 VanDerWaalsContact O-CB 3.29Å; E384-A388 WeakPolarHBondContact O-CB 3.38Å; E384-A388 PolarHBondContact O-N 2.95Å
385	F	86.6	Confident	81.5	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.009	18%	0.182	C	C	.	.	H	α-helix	trans	-65.5	-42.6	172.3	-174	-89.6	0	0	0	112.6	M290 L301 V312 L375 L378 R379 D382 A388 T389	M290-F385 HydrophobicContact SD-CD2 4.47Å; M290-F385 HydrophobicContact SD-CE2 4.21Å; L301-F385 HydrophobicContact CB-CD2 4.44Å; V312-F385 HydrophobicContact CG2-CE2 3.8Å; V312-F385 HydrophobicContact CG2-CZ 3.61Å; L375-F385 HydrophobicContact CD1-CE1 3.73Å; L375-F385 HydrophobicContact CD1-CZ 3.74Å; L378-F385 HydrophobicContact CB-CD1 4.06Å; L378-F385 HydrophobicContact CB-CE1 3.94Å; R379-F385 HydrophobicContact CG-CD1 3.81Å; R379-F385 HydrophobicContact CG-CE1 3.83Å; D382-F385 HydrophobicContact CB-CB 3.76Å; D382-F385 PolarHBondContact OD1-N 3.45Å; F385-A388 PolarHBondContact O-N 3.05Å; F385-T389 WeakPolarHBondContact O-CB 3.49Å; F385-T389 PolarHBondContact O-N 3.05Å; F385-T389 PolarHBondContact O-OG1 3.5Å
386	D	82.9	Confident	80.9	Confident	14 Å²	14	39.9 Å²	39.9	8%	0.075	19%	0.194	C	C	.	.	H	α-helix	trans	-64.4	-41.3	174.4	-176.6	48.5	0	0	0	112.4	R379 D382 T389 Y390	R379-D386 HydrophobicContact CB-CB 4.16Å; R379-D386 HydrophobicContact CG-CB 4.39Å; R379-D386 IonicContact CZ-OD1 3.11Å; R379-D386 VanDerWaalsContact CZ-OD1 3.24Å; R379-D386 IonicContact NE-OD1 3.21Å; R379-D386 PolarHBondContact NE-OD1 3.11Å; R379-D386 IonicContact NH2-OD1 2.69Å; R379-D386 PolarHBondContact NH2-OD1 3.03Å; R379-D386 WeakPolarHBondContact O-CB 3.39Å; D382-D386 PolarHBondContact O-N 3.1Å; D386-T389 PolarHBondContact O-N 3.01Å; D386-Y390 VanDerWaalsContact O-CB 3.25Å; D386-Y390 WeakPolarHBondContact O-CB 3.31Å; D386-Y390 PolarHBondContact O-N 3.09Å
387	E	82	Confident	80.3	Confident	14 Å²	14	37.7 Å²	37.7	7%	0.065	18%	0.183	C	C	.	.	H	α-helix	trans	-65.2	-43.9	175.6	-169.2	176	145.5	0	0	111.7	F293 K383 Y390 M391 R596 H597 N600	F293-E387 HydrophobicContact CZ-CB 4.4Å; F293-E387 HydrophobicContact CZ-CG 4.08Å; K383-E387 WeakPolarHBondContact O-CB 3.4Å; K383-E387 PolarHBondContact O-N 3.08Å; K383-E387 VanDerWaalsContact O-N 3.11Å; E387-Y390 PolarHBondContact O-N 3.46Å; E387-M391 WeakPolarHBondContact O-CG 3.36Å; E387-M391 PolarHBondContact O-N 3.45Å; E387-R596 VanDerWaalsContact OE2-CB 3.22Å; E387-R596 WeakPolarHBondContact OE2-CB 3.16Å; E387-H597 WeakPolarHBondContact OE1-CA 3.48Å; E387-N600 VanDerWaalsContact CD-ND2 3.3Å; E387-N600 PolarHBondContact OE1-ND2 3.37Å; E387-N600 PolarHBondContact OE2-ND2 3.09Å; E387-N600 VanDerWaalsContact OE2-ND2 3.1Å
388	A	84.4	Confident	79.1	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-46.4	174.8	0	0	0	0	0	111.9	M290 F293 L301 E384 F385 M391 F392	M290-A388 HydrophobicContact CE-CB 3.8Å; M290-A388 WeakPolarHBondContact CE-O 3.24Å; M290-A388 HydrophobicContact SD-CB 4.02Å; F293-A388 HydrophobicContact CB-CB 3.95Å; F293-A388 HydrophobicContact CD1-CB 3.52Å; F293-A388 HydrophobicContact CD2-CB 4.08Å; F293-A388 HydrophobicContact CE1-CB 3.93Å; F293-A388 HydrophobicContact CE2-CB 4.46Å; F293-A388 HydrophobicContact CG-CB 3.58Å; F293-A388 HydrophobicContact CZ-CB 4.39Å; L301-A388 HydrophobicContact CD1-CB 3.82Å; E384-A388 VanDerWaalsContact O-CB 3.29Å; E384-A388 WeakPolarHBondContact O-CB 3.38Å; E384-A388 PolarHBondContact O-N 2.95Å; F385-A388 PolarHBondContact O-N 3.05Å; A388-M391 PolarHBondContact O-N 3.14Å; A388-F392 PolarHBondContact O-N 3.13Å
389	T	85.6	Confident	77.1	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-45.8	177.3	-54.9	0	0	0	0	110.6	Y286 R379 F385 D386 M391 F392 E393 V405	Y286-T389 HydrophobicContact CE2-CG2 4.02Å; Y286-T389 PolarHBondContact OH-OG1 3.35Å; R379-T389 VanDerWaalsContact NH1-CG2 3.32Å; F385-T389 WeakPolarHBondContact O-CB 3.49Å; F385-T389 PolarHBondContact O-N 3.05Å; F385-T389 PolarHBondContact O-OG1 3.5Å; D386-T389 PolarHBondContact O-N 3.01Å; T389-M391 PolarHBondContact O-N 3.37Å; T389-F392 WeakPolarHBondContact O-CB 3.47Å; T389-F392 PolarHBondContact O-N 3.24Å; T389-E393 VanDerWaalsContact O-CG 3.31Å; T389-E393 WeakPolarHBondContact O-CG 3.38Å; T389-E393 PolarHBondContact O-N 3.11Å; T389-V405 HydrophobicContact CG2-CB 4.14Å; T389-V405 HydrophobicContact CG2-CG2 4.02Å
390	Y	81.4	Confident	75.1	Confident	7 Å²	7	53.5 Å²	53.5	3%	0.027	27%	0.268	C	S	.	.	H	α-helix	trans	-64.2	-39.4	179.1	-178.9	-100.9	0	0	0	112.8	D386 E387 F392 E393 T394 Q590 A593 V594	D386-Y390 VanDerWaalsContact O-CB 3.25Å; D386-Y390 WeakPolarHBondContact O-CB 3.31Å; D386-Y390 PolarHBondContact O-N 3.09Å; E387-Y390 PolarHBondContact O-N 3.46Å; Y390-F392 PolarHBondContact O-N 3.13Å; Y390-E393 CarbonylContact O-C 3.28Å; Y390-E393 WeakPolarHBondContact O-CA 3.23Å; Y390-E393 VanDerWaalsContact O-CB 3.31Å; Y390-E393 WeakPolarHBondContact O-CB 3.36Å; Y390-E393 PolarHBondContact O-N 2.91Å; Y390-T394 HydrophobicContact CD1-CG2 4.1Å; Y390-T394 HydrophobicContact CE1-CG2 3.33Å; Y390-T394 HydrophobicContact CE2-CG2 4.03Å; Y390-T394 PolarHBondContact O-N 3.07Å; Y390-T394 WeakPolarHBondContact OH-CG2 3.37Å; Y390-Q590 HydrophobicContact CE2-CB 3.92Å; Y390-Q590 HydrophobicContact CE2-CG 3.75Å; Y390-Q590 VanDerWaalsContact CZ-O 3.28Å; Y390-A593 HydrophobicContact CD1-CB 3.3Å; Y390-A593 HydrophobicContact CD2-CB 4.01Å; Y390-A593 HydrophobicContact CE1-CB 4.08Å; Y390-A593 HydrophobicContact CG-CB 3.27Å; Y390-V594 HydrophobicContact CE1-CB 4.24Å; Y390-V594 HydrophobicContact CE1-CG2 3.45Å; Y390-V594 VanDerWaalsContact CE1-CG2 3.45Å; Y390-V594 WeakPolarHBondContact OH-CG2 3.41Å
391	M	77.6	Confident	73.6	Confident	11 Å²	11	57.5 Å²	57.5	5%	0.054	28%	0.281	C	S	.	.	H	α-helix	trans	-65.6	-40.2	178.8	-75.3	-53.1	-55.2	0	0	112.1	Y289 F293 E387 A388 T389 E393 T394 E395 H597	Y289-M391 HydrophobicContact CE1-CB 4.08Å; Y289-M391 WeakPolarHBondContact OH-CB 3.06Å; F293-M391 HydrophobicContact CE2-CG 4.41Å; E387-M391 WeakPolarHBondContact O-CG 3.36Å; E387-M391 PolarHBondContact O-N 3.45Å; A388-M391 PolarHBondContact O-N 3.14Å; T389-M391 PolarHBondContact O-N 3.37Å; M391-E393 VanDerWaalsContact C-N 3.33Å; M391-E393 PolarHBondContact O-N 2.88Å; M391-T394 WeakPolarHBondContact CE-OG1 3.41Å; M391-T394 PolarHBondContact O-N 3.01Å; M391-T394 PolarHBondContact O-OG1 3.16Å; M391-E395 HydrophobicContact CE-CG 4.27Å; M391-E395 PolarHBondContact O-N 2.9Å; M391-H597 HydrophobicContact CE-CB 4.45Å; M391-H597 VanDerWaalsContact CE-CD2 3.49Å; M391-H597 WeakPolarHBondContact CE-CD2 3.43Å; M391-H597 HydrophobicContact CG-CB 3.98Å; M391-H597 HydrophobicContact SD-CB 3.38Å; M391-H597 WeakPolarHBondContact SD-CB 3.26Å; M391-H597 VanDerWaalsContact SD-CD2 3.53Å
392	F	84.3	Confident	72	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.6	-43.6	167.4	179	-92.9	0	0	0	112.4	L285 Y286 Y289 M290 A388 T389 Y390 T394 E395 V396 F397 V405	L285-F392 HydrophobicContact CB-CE2 3.97Å; Y286-F392 VanDerWaalsContact CA-CE2 3.49Å; Y286-F392 HydrophobicContact CD2-CB 4.31Å; Y286-F392 AromaticContact CD2-CD1 3.56Å; Y286-F392 HydrophobicContact CD2-CD1 3.56Å; Y286-F392 HydrophobicContact CD2-CD2 4.18Å; Y286-F392 AromaticContact CD2-CE1 3.84Å; Y286-F392 HydrophobicContact CD2-CE1 3.84Å; Y286-F392 HydrophobicContact CD2-CE2 4.42Å; Y286-F392 AromaticContact CD2-CG 3.75Å; Y286-F392 HydrophobicContact CD2-CG 3.75Å; Y286-F392 HydrophobicContact CD2-CZ 4.28Å; Y286-F392 HydrophobicContact CE2-CD1 4.27Å; Y286-F392 HydrophobicContact CG-CD1 4.33Å; Y286-F392 HydrophobicContact CG-CE1 4.15Å; Y286-F392 HydrophobicContact CG-CZ 4.34Å; Y289-F392 HydrophobicContact CD1-CB 3.94Å; Y289-F392 HydrophobicContact CD2-CD2 4.27Å; Y289-F392 HydrophobicContact CE1-CB 4.36Å; Y289-F392 HydrophobicContact CG-CB 4.11Å; Y289-F392 AromaticContact CG-CD2 3.97Å; Y289-F392 HydrophobicContact CG-CD2 3.97Å; M290-F392 HydrophobicContact CE-CB 4.47Å; A388-F392 PolarHBondContact O-N 3.13Å; T389-F392 WeakPolarHBondContact O-CB 3.47Å; T389-F392 PolarHBondContact O-N 3.24Å; Y390-F392 PolarHBondContact O-N 3.13Å; F392-T394 PolarHBondContact O-N 2.66Å; F392-E395 PolarHBondContact O-N 3.42Å; F392-V396 HydrophobicContact CD2-CB 4.22Å; F392-V396 HydrophobicContact CD2-CG2 3.64Å; F392-V396 HydrophobicContact CE2-CB 3.94Å; F392-V396 HydrophobicContact CE2-CG1 4.11Å; F392-V396 HydrophobicContact CE2-CG2 3.54Å; F392-V396 HydrophobicContact CG-CG2 4.41Å; F392-V396 HydrophobicContact CZ-CB 4.11Å; F392-V396 HydrophobicContact CZ-CG1 4.02Å; F392-V396 HydrophobicContact CZ-CG2 4.22Å; F392-V396 PolarHBondContact O-N 3.05Å; F392-F397 HydrophobicContact CD1-CE2 4.36Å; F392-F397 HydrophobicContact CD1-CZ 4.38Å; F392-F397 AromaticContact CE1-CE1 3.92Å; F392-F397 HydrophobicContact CE1-CE1 3.92Å; F392-F397 AromaticContact CE1-CE2 3.97Å; F392-F397 HydrophobicContact CE1-CE2 3.97Å; F392-F397 AromaticContact CE1-CZ 3.57Å; F392-F397 HydrophobicContact CE1-CZ 3.57Å; F392-F397 HydrophobicContact CZ-CE1 4.35Å; F392-F397 HydrophobicContact CZ-CZ 4.37Å; F392-V405 HydrophobicContact CD1-CG2 3.72Å; F392-V405 HydrophobicContact CE1-CG2 3.97Å
393	E	80.4	Confident	70.7	Confident	15 Å²	15	55.3 Å²	55.3	7%	0.07	28%	0.278	C	S	.	.	H	α-helix	trans	-61.8	-20.9	174.2	-67.2	169.3	156.7	0	0	113.7	R379 T389 Y390 M391 F397 A404 V405	R379-E393 IonicContact CZ-OE1 3.49Å; R379-E393 IonicContact CZ-OE2 2.76Å; R379-E393 VanDerWaalsContact NH1-CD 3.35Å; R379-E393 IonicContact NH1-OE1 3.24Å; R379-E393 PolarHBondContact NH1-OE1 3.4Å; R379-E393 IonicContact NH1-OE2 2.64Å; R379-E393 PolarHBondContact NH1-OE2 3.17Å; R379-E393 IonicContact NH2-OE1 2.69Å; R379-E393 IonicContact NH2-OE2 3.91Å; R379-E393 PolarHBondContact NH2-OE2 3.38Å; T389-E393 VanDerWaalsContact O-CG 3.31Å; T389-E393 WeakPolarHBondContact O-CG 3.38Å; T389-E393 PolarHBondContact O-N 3.11Å; Y390-E393 CarbonylContact O-C 3.28Å; Y390-E393 WeakPolarHBondContact O-CA 3.23Å; Y390-E393 VanDerWaalsContact O-CB 3.31Å; Y390-E393 WeakPolarHBondContact O-CB 3.36Å; Y390-E393 PolarHBondContact O-N 2.91Å; M391-E393 VanDerWaalsContact C-N 3.33Å; M391-E393 PolarHBondContact O-N 2.88Å; E393-F397 HydrophobicContact CB-CD2 4.4Å; E393-F397 HydrophobicContact CG-CD2 4.25Å; E393-F397 HydrophobicContact CG-CE2 4.42Å; E393-F397 WeakPolarHBondContact O-CB 3.37Å; E393-A404 VanDerWaalsContact OE1-CA 3.28Å; E393-A404 WeakPolarHBondContact OE1-CA 3.41Å; E393-A404 WeakPolarHBondContact OE1-CB 3.45Å; E393-V405 HydrophobicContact CG-CB 4.48Å; E393-V405 HydrophobicContact CG-CG2 3.82Å; E393-V405 PolarHBondContact OE1-N 3.15Å
394	T	72.7	Confident	70.2	Confident	32 Å²	32	49 Å²	49	20%	0.196	25%	0.251	C	S	.	.	H	α-helix	trans	-92.5	-44.3	174.4	64.3	0	0	0	0	113.9	Y390 M391 F392	Y390-T394 HydrophobicContact CD1-CG2 4.1Å; Y390-T394 HydrophobicContact CE1-CG2 3.33Å; Y390-T394 HydrophobicContact CE2-CG2 4.03Å; Y390-T394 PolarHBondContact O-N 3.07Å; Y390-T394 WeakPolarHBondContact OH-CG2 3.37Å; M391-T394 WeakPolarHBondContact CE-OG1 3.41Å; M391-T394 PolarHBondContact O-N 3.01Å; M391-T394 PolarHBondContact O-OG1 3.16Å; F392-T394 PolarHBondContact O-N 2.66Å
395	E	73.6	Confident	70	Confident	100 Å²	100	45.5 Å²	45.5	47%	0.467	23%	0.234	S	C	.	.	H	α-helix	trans	-75.4	-49.2	-172.8	-69.8	179.9	-135.8	0	0	111.7	Y289 M391 F392	Y289-E395 WeakPolarHBondContact CE2-OE2 3.49Å; Y289-E395 PolarHBondContact OH-OE1 2.98Å; M391-E395 HydrophobicContact CE-CG 4.27Å; M391-E395 PolarHBondContact O-N 2.9Å; F392-E395 PolarHBondContact O-N 3.42Å
396	V	72.1	Confident	69.4	Low	41 Å²	41	46.8 Å²	46.8	25%	0.248	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-44.4	-172.1	-178.7	0	0	0	0	111.3	E281 L285 F392 K398	E281-V396 HydrophobicContact CG-CG1 3.87Å; L285-V396 HydrophobicContact CD1-CG1 4.5Å; F392-V396 HydrophobicContact CD2-CB 4.22Å; F392-V396 HydrophobicContact CD2-CG2 3.64Å; F392-V396 HydrophobicContact CE2-CB 3.94Å; F392-V396 HydrophobicContact CE2-CG1 4.11Å; F392-V396 HydrophobicContact CE2-CG2 3.54Å; F392-V396 HydrophobicContact CG-CG2 4.41Å; F392-V396 HydrophobicContact CZ-CB 4.11Å; F392-V396 HydrophobicContact CZ-CG1 4.02Å; F392-V396 HydrophobicContact CZ-CG2 4.22Å; F392-V396 PolarHBondContact O-N 3.05Å; V396-K398 VanDerWaalsContact C-N 3.34Å; V396-K398 PolarHBondContact O-N 3.14Å
397	F	68.9	Low	69	Low	5 Å²	5	47.8 Å²	47.8	2%	0.022	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-6.4	-176	-68.9	-16.4	0	0	0	115.1	E281 M282 F392 E393 K402 V405 Q408	E281-F397 HydrophobicContact CB-CE1 4.38Å; M282-F397 HydrophobicContact SD-CZ 4.29Å; F392-F397 HydrophobicContact CD1-CE2 4.36Å; F392-F397 HydrophobicContact CD1-CZ 4.38Å; F392-F397 AromaticContact CE1-CE1 3.92Å; F392-F397 HydrophobicContact CE1-CE1 3.92Å; F392-F397 AromaticContact CE1-CE2 3.97Å; F392-F397 HydrophobicContact CE1-CE2 3.97Å; F392-F397 AromaticContact CE1-CZ 3.57Å; F392-F397 HydrophobicContact CE1-CZ 3.57Å; F392-F397 HydrophobicContact CZ-CE1 4.35Å; F392-F397 HydrophobicContact CZ-CZ 4.37Å; E393-F397 HydrophobicContact CB-CD2 4.4Å; E393-F397 HydrophobicContact CG-CD2 4.25Å; E393-F397 HydrophobicContact CG-CE2 4.42Å; E393-F397 WeakPolarHBondContact O-CB 3.37Å; F397-K402 HydrophobicContact CB-CB 3.64Å; F397-K402 HydrophobicContact CD1-CB 3.79Å; F397-K402 HydrophobicContact CD1-CD 3.87Å; F397-K402 HydrophobicContact CD2-CB 4.45Å; F397-K402 HydrophobicContact CE1-CD 4.45Å; F397-K402 HydrophobicContact CG-CB 3.71Å; F397-K402 PolarHBondContact O-N 2.74Å; F397-V405 HydrophobicContact CE2-CG2 3.79Å; F397-V405 HydrophobicContact CZ-CG2 4.31Å; F397-Q408 HydrophobicContact CD2-CG 4.45Å; F397-Q408 HydrophobicContact CE1-CG 4.43Å; F397-Q408 HydrophobicContact CE2-CB 4.41Å; F397-Q408 HydrophobicContact CE2-CG 3.79Å; F397-Q408 HydrophobicContact CZ-CB 4.22Å; F397-Q408 HydrophobicContact CZ-CG 3.77Å
398	K	56.2	Low	68.8	Low	153 Å²	153	47.5 Å²	47.5	67%	0.665	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	46.9	100.7	176.3	-65.5	-176.2	-179.9	179.4	0	114.4	V396 G400 K401	V396-K398 VanDerWaalsContact C-N 3.34Å; V396-K398 PolarHBondContact O-N 3.14Å; K398-G400 PolarHBondContact O-N 2.79Å; K398-G400 VanDerWaalsContact O-N 3.08Å; K398-K401 PolarHBondContact O-N 2.92Å; K398-K401 VanDerWaalsContact O-N 3.13Å
399	R	41.2	Very low	68.6	Low	212 Å²	212	47.5 Å²	47.5	80%	0.8	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-4.6	92.8	178.3	-89.3	-170.3	172.8	180	-0.3	114.8
400	G	42.2	Very low	68.1	Low	84 Å²	84	48.5 Å²	48.5	87%	0.866	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	96.8	0.4	169	0	0	0	0	0	117.1	K398	K398-G400 PolarHBondContact O-N 2.79Å; K398-G400 VanDerWaalsContact O-N 3.08Å
401	K	46.8	Very low	68	Low	188 Å²	188	49.6 Å²	49.6	82%	0.817	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-25.8	179.8	-70.9	-167.9	174.1	-174.4	0	116.6	K398	K398-K401 PolarHBondContact O-N 2.92Å; K398-K401 VanDerWaalsContact O-N 3.13Å
402	K	48.6	Very low	68.3	Low	45 Å²	45	49.1 Å²	49.1	20%	0.196	25%	0.252	C	S	.	.	S	Bend	trans	-131.2	20.6	-176.9	-77	-174.8	171.6	-169.2	0	116.1	E281 F397 Q408	E281-K402 IonicContact OE1-NZ 3.71Å; E281-K402 PolarHBondContact OE1-NZ 3.44Å; E281-K402 IonicContact OE2-NZ 3.59Å; E281-K402 PolarHBondContact OE2-NZ 3.36Å; F397-K402 HydrophobicContact CB-CB 3.64Å; F397-K402 HydrophobicContact CD1-CB 3.79Å; F397-K402 HydrophobicContact CD1-CD 3.87Å; F397-K402 HydrophobicContact CD2-CB 4.45Å; F397-K402 HydrophobicContact CE1-CD 4.45Å; F397-K402 HydrophobicContact CG-CB 3.71Å; F397-K402 PolarHBondContact O-N 2.74Å; K402-Q408 WeakPolarHBondContact O-CG 3.43Å; K402-Q408 PolarHBondContact O-NE2 3.14Å
403	G	56.3	Low	68.1	Low	33 Å²	33	50.1 Å²	50.1	34%	0.34	26%	0.257	S	S	.	.			trans	61.7	-152.7	173.6	0	0	0	0	0	114.7
404	A	68.7	Low	67.9	Low	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.255	C	S	.	.			trans	-100.3	160.6	173	0	0	0	0	0	112.2	E393 I406 Q407 Q408 Y586	E393-A404 VanDerWaalsContact OE1-CA 3.28Å; E393-A404 WeakPolarHBondContact OE1-CA 3.41Å; E393-A404 WeakPolarHBondContact OE1-CB 3.45Å; A404-I406 PolarHBondContact O-N 3.17Å; A404-Q407 HydrophobicContact CB-CG 4.3Å; A404-Q407 CarbonylContact O-C 3.33Å; A404-Q407 WeakPolarHBondContact O-CA 3.07Å; A404-Q407 WeakPolarHBondContact O-CB 3.35Å; A404-Q407 PolarHBondContact O-N 3.18Å; A404-Q408 WeakPolarHBondContact O-CB 3.33Å; A404-Q408 WeakPolarHBondContact O-CG 3.41Å; A404-Q408 PolarHBondContact O-N 3.43Å; A404-Y586 HydrophobicContact CB-CE2 3.54Å; A404-Y586 WeakPolarHBondContact CB-OH 3.02Å; A404-Y586 PolarHBondContact N-OH 3.1Å
405	V	77.6	Confident	68.4	Low	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-53.1	-44	174.1	170.4	0	0	0	0	111.1	M282 Y286 L375 T389 F392 E393 F397 Q407 Q408 L409	M282-V405 HydrophobicContact CE-CG1 3.78Å; M282-V405 HydrophobicContact SD-CG1 4.33Å; Y286-V405 HydrophobicContact CD1-CG1 4.45Å; Y286-V405 HydrophobicContact CD2-CG2 4.2Å; Y286-V405 HydrophobicContact CE1-CG1 3.97Å; Y286-V405 HydrophobicContact CE2-CG1 4.38Å; Y286-V405 HydrophobicContact CE2-CG2 4Å; L375-V405 HydrophobicContact CD2-CG1 3.92Å; T389-V405 HydrophobicContact CG2-CB 4.14Å; T389-V405 HydrophobicContact CG2-CG2 4.02Å; F392-V405 HydrophobicContact CD1-CG2 3.72Å; F392-V405 HydrophobicContact CE1-CG2 3.97Å; E393-V405 HydrophobicContact CG-CB 4.48Å; E393-V405 HydrophobicContact CG-CG2 3.82Å; E393-V405 PolarHBondContact OE1-N 3.15Å; F397-V405 HydrophobicContact CE2-CG2 3.79Å; F397-V405 HydrophobicContact CZ-CG2 4.31Å; V405-Q407 VanDerWaalsContact C-N 3.32Å; V405-Q407 PolarHBondContact O-N 3.41Å; V405-Q408 PolarHBondContact O-N 2.84Å; V405-Q408 VanDerWaalsContact O-N 3.17Å; V405-L409 PolarHBondContact O-N 3.48Å; V405-L409 VanDerWaalsContact O-N 3.1Å
406	I	74.5	Confident	68.8	Low	28 Å²	28	44 Å²	44	14%	0.144	23%	0.226	C	C	.	.	H	α-helix	trans	-56.9	-44.5	176.2	-65.3	159.5	0	0	0	111.2	L372 L375 L376 A404 L409	L372-I406 HydrophobicContact CD2-CG2 3.67Å; L372-I406 WeakPolarHBondContact CD2-O 3.44Å; L375-I406 HydrophobicContact CD2-CG1 3.85Å; L375-I406 HydrophobicContact CG-CG1 4.42Å; L376-I406 HydrophobicContact CD2-CD1 3.67Å; L376-I406 HydrophobicContact CG-CD1 4.13Å; A404-I406 PolarHBondContact O-N 3.17Å; I406-L409 PolarHBondContact O-N 3.4Å
407	Q	73.9	Confident	69.1	Low	36 Å²	36	42.4 Å²	42.4	17%	0.168	22%	0.216	C	C	.	.	H	α-helix	trans	-73	-33.3	179.2	-65.7	167	-15.5	0	0	111.5	A404 V405 L409 D410 P482 G483 Y586	A404-Q407 HydrophobicContact CB-CG 4.3Å; A404-Q407 CarbonylContact O-C 3.33Å; A404-Q407 WeakPolarHBondContact O-CA 3.07Å; A404-Q407 WeakPolarHBondContact O-CB 3.35Å; A404-Q407 PolarHBondContact O-N 3.18Å; V405-Q407 VanDerWaalsContact C-N 3.32Å; V405-Q407 PolarHBondContact O-N 3.41Å; Q407-L409 VanDerWaalsContact C-N 3.26Å; Q407-L409 PolarHBondContact O-N 3.13Å; Q407-D410 VanDerWaalsContact O-CB 3.26Å; Q407-D410 WeakPolarHBondContact O-CB 3.38Å; Q407-D410 PolarHBondContact O-N 3.22Å; Q407-D410 VanDerWaalsContact O-N 3.08Å; Q407-P482 WeakPolarHBondContact O-CB 3.34Å; Q407-G483 PolarHBondContact O-N 3.4Å; Q407-Y586 PolarHBondContact OE1-OH 2.8Å
408	Q	77.2	Confident	69.7	Low	7 Å²	7	43.7 Å²	43.7	3%	0.033	22%	0.221	C	C	.	.	H	α-helix	trans	-68.7	-22.2	176.5	-74.1	-64	-54.5	0	0	112.4	Y278 F397 K402 A404 V405 D410 Q411 P482	Y278-Q408 HydrophobicContact CD2-CB 4.29Å; Y278-Q408 VanDerWaalsContact CD2-OE1 3.32Å; Y278-Q408 HydrophobicContact CE2-CB 3.87Å; Y278-Q408 WeakPolarHBondContact CE2-O 3.38Å; Y278-Q408 VanDerWaalsContact CZ-O 3.23Å; Y278-Q408 PolarHBondContact OH-O 3.31Å; F397-Q408 HydrophobicContact CD2-CG 4.45Å; F397-Q408 HydrophobicContact CE1-CG 4.43Å; F397-Q408 HydrophobicContact CE2-CB 4.41Å; F397-Q408 HydrophobicContact CE2-CG 3.79Å; F397-Q408 HydrophobicContact CZ-CB 4.22Å; F397-Q408 HydrophobicContact CZ-CG 3.77Å; K402-Q408 WeakPolarHBondContact O-CG 3.43Å; K402-Q408 PolarHBondContact O-NE2 3.14Å; A404-Q408 WeakPolarHBondContact O-CB 3.33Å; A404-Q408 WeakPolarHBondContact O-CG 3.41Å; A404-Q408 PolarHBondContact O-N 3.43Å; V405-Q408 PolarHBondContact O-N 2.84Å; V405-Q408 VanDerWaalsContact O-N 3.17Å; Q408-D410 PolarHBondContact O-N 2.85Å; Q408-Q411 WeakPolarHBondContact O-CB 3.12Å; Q408-Q411 PolarHBondContact O-N 3.02Å; Q408-P482 VanDerWaalsContact NE2-CB 3.26Å
409	L	80.6	Confident	71.2	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.7	168.3	-62.8	-176.4	0	0	0	113.4	M282 I315 M319 F364 K368 L372 L375 V405 I406 Q407 Q411	M282-L409 HydrophobicContact CE-CD2 4.01Å; I315-L409 HydrophobicContact CD1-CD1 4.12Å; I315-L409 HydrophobicContact CD1-CD2 4.22Å; I315-L409 HydrophobicContact CG2-CD2 4.23Å; M319-L409 HydrophobicContact CE-CD2 4.39Å; F364-L409 WeakPolarHBondContact CE1-O 3.01Å; F364-L409 HydrophobicContact CE2-CD2 4.25Å; F364-L409 HydrophobicContact CZ-CB 4.13Å; F364-L409 HydrophobicContact CZ-CD2 3.94Å; K368-L409 WeakPolarHBondContact CE-O 3.1Å; L372-L409 HydrophobicContact CD2-CB 4.17Å; L372-L409 HydrophobicContact CD2-CD1 4.03Å; L372-L409 HydrophobicContact CG-CD1 4.41Å; L375-L409 HydrophobicContact CD2-CD1 4.13Å; V405-L409 PolarHBondContact O-N 3.48Å; V405-L409 VanDerWaalsContact O-N 3.1Å; I406-L409 PolarHBondContact O-N 3.4Å; Q407-L409 VanDerWaalsContact C-N 3.26Å; Q407-L409 PolarHBondContact O-N 3.13Å; L409-Q411 VanDerWaalsContact C-N 3.26Å; L409-Q411 PolarHBondContact O-N 3.08Å
410	D	75.6	Confident	73.3	Confident	21 Å²	21	27 Å²	27	11%	0.112	15%	0.154	C	C	.	.	H	α-helix	trans	-69.5	-24	169.3	-65.6	-44.1	0	0	0	113.1	K368 Q407 Q408 V412 H413 Q414 G483	K368-D410 VanDerWaalsContact CE-OD1 3.3Å; K368-D410 WeakPolarHBondContact CE-OD1 3.43Å; K368-D410 IonicContact NZ-OD1 3.16Å; K368-D410 PolarHBondContact NZ-OD1 3.38Å; Q407-D410 VanDerWaalsContact O-CB 3.26Å; Q407-D410 WeakPolarHBondContact O-CB 3.38Å; Q407-D410 PolarHBondContact O-N 3.22Å; Q407-D410 VanDerWaalsContact O-N 3.08Å; Q408-D410 PolarHBondContact O-N 2.85Å; D410-V412 VanDerWaalsContact C-N 3.27Å; D410-V412 PolarHBondContact O-N 3.41Å; D410-H413 PolarHBondContact O-N 3.39Å; D410-Q414 HydrophobicContact CB-CG 4.4Å; D410-Q414 WeakPolarHBondContact O-CG 3.48Å; D410-Q414 PolarHBondContact O-N 3.3Å; D410-G483 VanDerWaalsContact OD2-CA 3.26Å; D410-G483 WeakPolarHBondContact OD2-CA 3.48Å; D410-G483 PolarHBondContact OD2-N 3.05Å
411	Q	78.9	Confident	75.2	Confident	31 Å²	31	23.2 Å²	23.2	15%	0.145	11%	0.114	C	C	.	.	H	α-helix	trans	-64.1	-29.5	-166.2	-171.4	63.6	102.4	0	0	113.2	Y275 Y278 Q408 L409 N415 P482	Y275-Q411 HydrophobicContact CD2-CG 4.13Å; Y275-Q411 HydrophobicContact CE2-CG 4.49Å; Y278-Q411 HydrophobicContact CD1-CB 4.13Å; Y278-Q411 HydrophobicContact CD1-CG 3.85Å; Y278-Q411 HydrophobicContact CD2-CB 3.96Å; Y278-Q411 HydrophobicContact CD2-CG 4Å; Y278-Q411 HydrophobicContact CE1-CB 4Å; Y278-Q411 HydrophobicContact CE1-CG 4.21Å; Y278-Q411 HydrophobicContact CE2-CB 3.8Å; Y278-Q411 HydrophobicContact CE2-CG 4.34Å; Y278-Q411 HydrophobicContact CG-CB 4.12Å; Y278-Q411 HydrophobicContact CG-CG 3.74Å; Q408-Q411 WeakPolarHBondContact O-CB 3.12Å; Q408-Q411 PolarHBondContact O-N 3.02Å; L409-Q411 VanDerWaalsContact C-N 3.26Å; L409-Q411 PolarHBondContact O-N 3.08Å; Q411-N415 PolarHBondContact NE2-ND2 3.43Å; Q411-N415 WeakPolarHBondContact O-CB 3.43Å; Q411-N415 PolarHBondContact O-N 3.36Å; Q411-N415 PolarHBondContact O-ND2 3.44Å; Q411-P482 HydrophobicContact CB-CG 4.34Å
412	V	84.6	Confident	77	Confident	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-63.4	-52.7	171.7	178.9	0	0	0	0	110.9	Y275 Y278 M319 C361 F364 L365 D410 Q414 N415 F416	Y275-V412 HydrophobicContact CE2-CG2 4.3Å; Y278-V412 HydrophobicContact CE1-CG2 3.86Å; M319-V412 HydrophobicContact CE-CG2 3.71Å; M319-V412 HydrophobicContact SD-CG2 4.06Å; C361-V412 HydrophobicContact CB-CG1 3.91Å; F364-V412 HydrophobicContact CD1-CB 3.71Å; F364-V412 HydrophobicContact CD1-CG1 3.7Å; F364-V412 HydrophobicContact CD1-CG2 3.8Å; F364-V412 HydrophobicContact CE1-CB 3.77Å; F364-V412 HydrophobicContact CE1-CG1 4.29Å; F364-V412 HydrophobicContact CE1-CG2 3.76Å; L365-V412 HydrophobicContact CD2-CB 4.47Å; L365-V412 HydrophobicContact CD2-CG1 4.04Å; L365-V412 HydrophobicContact CG-CG1 4.32Å; D410-V412 VanDerWaalsContact C-N 3.27Å; D410-V412 PolarHBondContact O-N 3.41Å; V412-Q414 VanDerWaalsContact C-N 3.29Å; V412-Q414 PolarHBondContact O-N 3.22Å; V412-N415 PolarHBondContact O-N 3.07Å; V412-F416 WeakPolarHBondContact O-CB 3.15Å; V412-F416 PolarHBondContact O-N 2.86Å
413	H	79.4	Confident	78.9	Confident	22 Å²	22	12.2 Å²	12.2	10%	0.102	7%	0.066	C	C	.	.	H	α-helix	trans	-61.2	-42.7	179	-175.1	-132.8	0	0	0	111	L365 D410 M417	L365-H413 HydrophobicContact CD2-CB 3.57Å; D410-H413 PolarHBondContact O-N 3.39Å; H413-M417 WeakPolarHBondContact O-CG 3.32Å; H413-M417 PolarHBondContact O-N 2.9Å
414	Q	76	Confident	80.2	Confident	9 Å²	9	11.8 Å²	11.8	4%	0.042	6%	0.056	C	C	.	.	H	α-helix	trans	-65.8	-43.9	-178.5	-72	179.8	-4.6	0	0	112.3	D410 V412 M417 R418 L480 E481	D410-Q414 HydrophobicContact CB-CG 4.4Å; D410-Q414 WeakPolarHBondContact O-CG 3.48Å; D410-Q414 PolarHBondContact O-N 3.3Å; V412-Q414 VanDerWaalsContact C-N 3.29Å; V412-Q414 PolarHBondContact O-N 3.22Å; Q414-M417 PolarHBondContact O-N 2.91Å; Q414-R418 WeakPolarHBondContact O-CB 3.45Å; Q414-R418 PolarHBondContact O-N 2.89Å; Q414-L480 HydrophobicContact CB-CB 4.11Å; Q414-L480 HydrophobicContact CG-CB 4.14Å; Q414-L480 WeakPolarHBondContact O-CD1 3.28Å; Q414-E481 VanDerWaalsContact NE2-C 3.27Å; Q414-E481 PolarHBondContact NE2-O 3.5Å; Q414-E481 PolarHBondContact OE1-O 3.01Å
415	N	83.1	Confident	80.9	Confident	7 Å²	7	14 Å²	14	4%	0.037	6%	0.064	C	C	.	.	H	α-helix	trans	-72.6	-38.3	177.5	-74.1	-43.6	0	0	0	112.7	Y275 Q411 V412 M417 R418 Y419	Y275-N415 VanDerWaalsContact CB-ND2 3.35Å; Y275-N415 WeakPolarHBondContact CB-ND2 3.49Å; Y275-N415 HydrophobicContact CD1-CB 3.87Å; Y275-N415 HydrophobicContact CD2-CB 4.1Å; Y275-N415 WeakPolarHBondContact CD2-ND2 3.36Å; Y275-N415 HydrophobicContact CE1-CB 4.05Å; Y275-N415 HydrophobicContact CE2-CB 4.26Å; Y275-N415 HydrophobicContact CG-CB 3.91Å; Q411-N415 PolarHBondContact NE2-ND2 3.43Å; Q411-N415 WeakPolarHBondContact O-CB 3.43Å; Q411-N415 PolarHBondContact O-N 3.36Å; Q411-N415 PolarHBondContact O-ND2 3.44Å; V412-N415 PolarHBondContact O-N 3.07Å; N415-M417 VanDerWaalsContact C-N 3.25Å; N415-M417 PolarHBondContact O-N 3.16Å; N415-R418 PolarHBondContact O-N 3.43Å; N415-Y419 WeakPolarHBondContact O-CD2 3.42Å; N415-Y419 WeakPolarHBondContact O-CE2 3.29Å; N415-Y419 PolarHBondContact O-N 3.36Å
416	F	83.4	Confident	81.5	Confident	1 Å²	1	14 Å²	14	0%	0.004	6%	0.064	C	C	.	.	H	α-helix	trans	-51.6	-44.9	170.3	177.3	-100.7	0	0	0	111.7	L358 C361 L365 V412 V450 T451 V454	L358-F416 HydrophobicContact CB-CD2 4.07Å; L358-F416 HydrophobicContact CB-CE2 4.07Å; C361-F416 HydrophobicContact CB-CD2 4.17Å; L365-F416 HydrophobicContact CD1-CD1 3.97Å; L365-F416 HydrophobicContact CD1-CD2 4.45Å; L365-F416 HydrophobicContact CD1-CE1 4.23Å; L365-F416 HydrophobicContact CD1-CG 4.09Å; V412-F416 WeakPolarHBondContact O-CB 3.15Å; V412-F416 PolarHBondContact O-N 2.86Å; F416-V450 HydrophobicContact CE2-CG1 3.68Å; F416-V450 HydrophobicContact CZ-CG1 3.73Å; F416-T451 HydrophobicContact CD1-CG2 4.05Å; F416-T451 HydrophobicContact CE1-CG2 3.76Å; F416-T451 HydrophobicContact CZ-CG2 4.21Å; F416-V454 HydrophobicContact CE1-CB 3.88Å; F416-V454 HydrophobicContact CE1-CG1 4.18Å; F416-V454 HydrophobicContact CE1-CG2 3.97Å; F416-V454 HydrophobicContact CZ-CB 4.03Å; F416-V454 HydrophobicContact CZ-CG2 3.58Å
417	M	77.4	Confident	82.2	Confident	9 Å²	9	13.4 Å²	13.4	4%	0.044	6%	0.063	C	C	.	.	H	α-helix	trans	-71.6	-34.8	172.5	-70.9	-49.7	-47.2	0	0	114.1	H413 Q414 N415 Y419 K420 T451 N455 T463 L480	H413-M417 WeakPolarHBondContact O-CG 3.32Å; H413-M417 PolarHBondContact O-N 2.9Å; Q414-M417 PolarHBondContact O-N 2.91Å; N415-M417 VanDerWaalsContact C-N 3.25Å; N415-M417 PolarHBondContact O-N 3.16Å; M417-Y419 PolarHBondContact O-N 2.87Å; M417-K420 PolarHBondContact O-N 3.4Å; M417-T451 HydrophobicContact CE-CG2 3.94Å; M417-T451 HydrophobicContact SD-CG2 3.59Å; M417-T451 VanDerWaalsContact SD-CG2 3.59Å; M417-N455 PolarHBondContact SD-ND2 3.4Å; M417-T463 HydrophobicContact CE-CG2 3.4Å; M417-T463 HydrophobicContact SD-CG2 3.72Å; M417-L480 HydrophobicContact CB-CD1 3.8Å
418	R	81.8	Confident	82.8	Confident	31 Å²	31	17.4 Å²	17.4	12%	0.117	8%	0.081	C	C	.	.	H	α-helix	trans	-66.6	-31.4	-172.2	-168.6	172.3	-169.8	113	9.7	113.7	E267 V271 Q414 N415 K420 L421 L422 N478 L480	E267-R418 IonicContact OE1-CZ 2.74Å; E267-R418 IonicContact OE1-NE 3.97Å; E267-R418 IonicContact OE1-NH2 3.31Å; E267-R418 PolarHBondContact OE1-NH2 3.22Å; V271-R418 HydrophobicContact CG1-CG 4.47Å; V271-R418 VanDerWaalsContact CG2-NE 3.33Å; Q414-R418 WeakPolarHBondContact O-CB 3.45Å; Q414-R418 PolarHBondContact O-N 2.89Å; N415-R418 PolarHBondContact O-N 3.43Å; R418-K420 PolarHBondContact O-N 2.78Å; R418-L421 PolarHBondContact O-N 3.22Å; R418-L421 VanDerWaalsContact O-N 3.1Å; R418-L422 HydrophobicContact CG-CD1 4.01Å; R418-L422 HydrophobicContact CG-CG 4.01Å; R418-L422 WeakPolarHBondContact O-CG 3.48Å; R418-L422 PolarHBondContact O-N 3.48Å; R418-N478 PolarHBondContact NH1-OD1 3.37Å; R418-L480 HydrophobicContact CB-CD1 4.27Å
419	Y	87.4	Confident	83.2	Confident	3 Å²	3	18.4 Å²	18.4	1%	0.012	9%	0.085	C	C	.	.	H	α-helix	trans	-57.3	-38.6	177.9	-60.6	-66.8	0	0	0	112.4	Q272 H326 L329 L358 N415 M417 M423	Q272-Y419 PolarHBondContact OE1-OH 3.35Å; H326-Y419 AromaticContact CE1-CE2 3.97Å; H326-Y419 AromaticContact CE1-CZ 3.92Å; H326-Y419 PolarHBondContact CE1-OH 3.28Å; H326-Y419 PolarHBondContact ND1-OH 2.95Å; L329-Y419 HydrophobicContact CD2-CE1 4.08Å; L358-Y419 HydrophobicContact CD1-CD2 3.61Å; L358-Y419 HydrophobicContact CD1-CE2 4.16Å; L358-Y419 HydrophobicContact CD1-CG 4.25Å; L358-Y419 HydrophobicContact CD2-CD2 4.06Å; L358-Y419 HydrophobicContact CD2-CE2 3.72Å; N415-Y419 WeakPolarHBondContact O-CD2 3.42Å; N415-Y419 WeakPolarHBondContact O-CE2 3.29Å; N415-Y419 PolarHBondContact O-N 3.36Å; M417-Y419 PolarHBondContact O-N 2.87Å; Y419-M423 PolarHBondContact O-N 3.5Å; Y419-M423 VanDerWaalsContact O-N 3.08Å
420	K	85.5	Confident	83.6	Confident	11 Å²	11	18.7 Å²	18.7	5%	0.048	9%	0.086	C	C	.	.	H	α-helix	trans	-62	-49.1	175.2	-167	-166.3	178	-168.5	0	110.5	M417 R418 L422 M423 L424 L447 E448	M417-K420 PolarHBondContact O-N 3.4Å; R418-K420 PolarHBondContact O-N 2.78Å; K420-L422 PolarHBondContact O-N 2.98Å; K420-M423 PolarHBondContact O-N 3.38Å; K420-L424 HydrophobicContact CD-CD1 4.29Å; K420-L424 HydrophobicContact CG-CD1 3.95Å; K420-L424 HydrophobicContact CG-CG 4.45Å; K420-L424 WeakPolarHBondContact O-CB 3.35Å; K420-L424 WeakPolarHBondContact O-CG 3.47Å; K420-L424 PolarHBondContact O-N 3.09Å; K420-L447 HydrophobicContact CB-CB 4.14Å; K420-L447 HydrophobicContact CG-CB 4.31Å; K420-E448 WeakPolarHBondContact CE-OE2 3.4Å; K420-E448 IonicContact NZ-OE1 3.53Å; K420-E448 PolarHBondContact NZ-OE1 3.23Å; K420-E448 IonicContact NZ-OE2 3.89Å; K420-E448 PolarHBondContact NZ-OE2 3.46Å
421	L	81.2	Confident	84.1	Confident	6 Å²	6	22.5 Å²	22.5	3%	0.031	11%	0.106	C	C	.	.	H	α-helix	trans	-62.4	-39.5	-178.8	-57.8	-178.3	0	0	0	112.8	R418 L424 R425 T467 Y470 L480	R418-L421 PolarHBondContact O-N 3.22Å; R418-L421 VanDerWaalsContact O-N 3.1Å; L421-L424 HydrophobicContact CD2-CD1 4.39Å; L421-R425 WeakPolarHBondContact O-CB 3.3Å; L421-R425 PolarHBondContact O-N 3.32Å; L421-T467 HydrophobicContact CD2-CG2 3.8Å; L421-Y470 HydrophobicContact CB-CD1 3.91Å; L421-Y470 HydrophobicContact CB-CE1 3.73Å; L421-Y470 HydrophobicContact CD1-CD1 3.85Å; L421-Y470 HydrophobicContact CD1-CD2 4.29Å; L421-Y470 HydrophobicContact CD1-CE1 4.26Å; L421-Y470 HydrophobicContact CD1-CG 3.85Å; L421-Y470 HydrophobicContact CD2-CD1 3.94Å; L421-Y470 HydrophobicContact CD2-CG 4.45Å; L421-Y470 HydrophobicContact CG-CD1 4.11Å; L421-Y470 HydrophobicContact CG-CE1 4.42Å; L421-L480 HydrophobicContact CD1-CD1 3.61Å; L421-L480 HydrophobicContact CD1-CG 4.26Å
422	L	84.9	Confident	84.1	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-66.9	-41.1	175.6	-67	170.9	0	0	0	111.9	E267 F268 V271 R418 K420 R425 Y426	E267-L422 HydrophobicContact CB-CD2 4.09Å; E267-L422 HydrophobicContact CG-CD2 3.63Å; F268-L422 HydrophobicContact CD1-CB 3.94Å; F268-L422 HydrophobicContact CD1-CD1 3.79Å; F268-L422 HydrophobicContact CD2-CB 4.46Å; F268-L422 HydrophobicContact CE1-CB 3.4Å; F268-L422 VanDerWaalsContact CE1-CB 3.4Å; F268-L422 HydrophobicContact CE1-CD1 4.07Å; F268-L422 HydrophobicContact CE1-CG 4.39Å; F268-L422 HydrophobicContact CE2-CB 4Å; F268-L422 HydrophobicContact CG-CB 4.45Å; F268-L422 HydrophobicContact CG-CD1 4.3Å; F268-L422 HydrophobicContact CZ-CB 3.46Å; F268-L422 VanDerWaalsContact CZ-CB 3.46Å; V271-L422 HydrophobicContact CB-CD1 4.18Å; V271-L422 HydrophobicContact CG1-CD1 4.12Å; V271-L422 HydrophobicContact CG2-CD1 4.15Å; R418-L422 HydrophobicContact CG-CD1 4.01Å; R418-L422 HydrophobicContact CG-CG 4.01Å; R418-L422 WeakPolarHBondContact O-CG 3.48Å; R418-L422 PolarHBondContact O-N 3.48Å; K420-L422 PolarHBondContact O-N 2.98Å; L422-R425 PolarHBondContact O-N 3.17Å; L422-Y426 VanDerWaalsContact O-CB 3.28Å; L422-Y426 WeakPolarHBondContact O-CB 3.37Å; L422-Y426 PolarHBondContact O-N 2.81Å
423	M	88.8	Confident	83.8	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-69.7	-37.7	177.7	-167.3	58.4	63.9	0	0	112.3	F268 S348 I351 Y419 K420 Y426 S427 A440 A443 I444 L447	F268-M423 HydrophobicContact CE1-CE 4.26Å; F268-M423 HydrophobicContact CZ-CB 4.33Å; F268-M423 HydrophobicContact CZ-CE 3.76Å; F268-M423 HydrophobicContact CZ-SD 4.45Å; S348-M423 PolarHBondContact OG-SD 3.12Å; I351-M423 HydrophobicContact CB-CE 3.46Å; I351-M423 VanDerWaalsContact CB-CE 3.46Å; I351-M423 HydrophobicContact CG1-CE 3.57Å; I351-M423 HydrophobicContact CG2-CE 3.79Å; Y419-M423 PolarHBondContact O-N 3.5Å; Y419-M423 VanDerWaalsContact O-N 3.08Å; K420-M423 PolarHBondContact O-N 3.38Å; M423-Y426 PolarHBondContact O-N 3.19Å; M423-Y426 HydrophobicContact SD-CD1 3.63Å; M423-Y426 HydrophobicContact SD-CE1 4.21Å; M423-Y426 HydrophobicContact SD-CG 4.35Å; M423-S427 WeakPolarHBondContact O-CB 3.16Å; M423-S427 PolarHBondContact O-N 2.96Å; M423-A440 HydrophobicContact SD-CB 4.1Å; M423-A443 HydrophobicContact CE-CB 4.36Å; M423-A443 HydrophobicContact CG-CB 4.2Å; M423-I444 HydrophobicContact CB-CG1 3.95Å; M423-I444 HydrophobicContact CG-CD1 4.14Å; M423-I444 HydrophobicContact CG-CG1 3.64Å; M423-L447 HydrophobicContact CB-CD1 4.41Å
424	L	84.6	Confident	84.1	Confident	24 Å²	24	35.7 Å²	35.7	13%	0.126	18%	0.181	C	C	.	.	H	α-helix	trans	-58.8	-47.9	172	-73.8	166.8	0	0	0	111.3	K420 L421 S427 E428 I444 T467 Y471	K420-L424 HydrophobicContact CD-CD1 4.29Å; K420-L424 HydrophobicContact CG-CD1 3.95Å; K420-L424 HydrophobicContact CG-CG 4.45Å; K420-L424 WeakPolarHBondContact O-CB 3.35Å; K420-L424 WeakPolarHBondContact O-CG 3.47Å; K420-L424 PolarHBondContact O-N 3.09Å; L421-L424 HydrophobicContact CD2-CD1 4.39Å; L424-S427 PolarHBondContact O-N 2.81Å; L424-E428 PolarHBondContact O-N 2.8Å; L424-I444 HydrophobicContact CD2-CD1 3.74Å; L424-I444 HydrophobicContact CD2-CG1 4.01Å; L424-I444 HydrophobicContact CD2-CG2 3.78Å; L424-I444 HydrophobicContact CG-CD1 4.25Å; L424-I444 HydrophobicContact CG-CG1 4.19Å; L424-I444 HydrophobicContact CG-CG2 4.45Å; L424-T467 HydrophobicContact CD1-CG2 3.99Å; L424-Y471 WeakPolarHBondContact CB-OH 3.15Å; L424-Y471 HydrophobicContact CD1-CE2 4.03Å; L424-Y471 VanDerWaalsContact CD2-OH 3.28Å; L424-Y471 WeakPolarHBondContact CD2-OH 3.49Å
425	R	83.1	Confident	84.7	Confident	47 Å²	47	40 Å²	40	18%	0.177	20%	0.204	C	C	.	.	H	α-helix	trans	-63.6	-41.2	175.5	-172.6	-174	-173.5	174.8	11.1	112.8	E267 L421 L422 S427 E428 Y429 C475	E267-R425 IonicContact OE2-CZ 3.96Å; E267-R425 IonicContact OE2-NH1 3.3Å; E267-R425 PolarHBondContact OE2-NH1 3.47Å; L421-R425 WeakPolarHBondContact O-CB 3.3Å; L421-R425 PolarHBondContact O-N 3.32Å; L422-R425 PolarHBondContact O-N 3.17Å; R425-S427 VanDerWaalsContact C-N 3.35Å; R425-E428 VanDerWaalsContact O-CB 3.23Å; R425-E428 WeakPolarHBondContact O-CB 3.49Å; R425-E428 PolarHBondContact O-N 2.85Å; R425-Y429 HydrophobicContact CG-CE2 4.03Å; R425-Y429 PolarHBondContact NE-OH 2.58Å; R425-C475 HydrophobicContact CG-CB 4.38Å
426	Y	88.9	Confident	85.1	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-45.1	176.4	174.8	-98.4	0	0	0	111.3	L261 A264 F268 W340 P345 N346 M347 S348 L422 M423 E428 Y429 L430 E436	L261-Y426 HydrophobicContact CD1-CD2 3.64Å; L261-Y426 HydrophobicContact CD1-CE2 3.62Å; L261-Y426 HydrophobicContact CD1-CG 4.38Å; A264-Y426 HydrophobicContact CB-CD2 4.44Å; F268-Y426 HydrophobicContact CE2-CD2 4.41Å; F268-Y426 HydrophobicContact CE2-CG 4.39Å; W340-Y426 AromaticContact CH2-CE2 3.68Å; W340-Y426 HydrophobicContact CH2-CE2 3.68Å; W340-Y426 WeakPolarHBondContact CH2-OH 3.45Å; W340-Y426 HydrophobicContact CZ2-CE2 4.2Å; P345-Y426 WeakPolarHBondContact CB-OH 3.13Å; N346-Y426 PolarHBondContact N-OH 3.34Å; M347-Y426 HydrophobicContact CB-CE1 4.26Å; M347-Y426 HydrophobicContact CB-CE2 3.76Å; M347-Y426 WeakPolarHBondContact CB-OH 3.45Å; M347-Y426 PolarHBondContact N-OH 3.2Å; S348-Y426 VanDerWaalsContact OG-CE1 3.27Å; S348-Y426 WeakPolarHBondContact OG-CE1 3.23Å; L422-Y426 VanDerWaalsContact O-CB 3.28Å; L422-Y426 WeakPolarHBondContact O-CB 3.37Å; L422-Y426 PolarHBondContact O-N 2.81Å; M423-Y426 PolarHBondContact O-N 3.19Å; M423-Y426 HydrophobicContact SD-CD1 3.63Å; M423-Y426 HydrophobicContact SD-CE1 4.21Å; M423-Y426 HydrophobicContact SD-CG 4.35Å; Y426-E428 PolarHBondContact O-N 3.02Å; Y426-Y429 PolarHBondContact O-N 3.37Å; Y426-Y429 VanDerWaalsContact O-N 3.16Å; Y426-L430 HydrophobicContact CD1-CD1 4.08Å; Y426-L430 HydrophobicContact CE1-CD1 3.85Å; Y426-L430 HydrophobicContact CE1-CD2 4.32Å; Y426-L430 HydrophobicContact CE1-CG 4.37Å; Y426-E436 HydrophobicContact CE1-CG 4.15Å; Y426-E436 WeakPolarHBondContact CE1-OE1 3.5Å; Y426-E436 PolarHBondContact OH-OE1 2.97Å
427	S	89.7	Confident	85.4	Confident	15 Å²	15	41.4 Å²	41.4	11%	0.105	21%	0.21	C	C	.	.	H	α-helix	trans	-64.7	-17.7	176.9	-170.8	0	0	0	0	114.4	M423 L424 R425 Y429 K437	M423-S427 WeakPolarHBondContact O-CB 3.16Å; M423-S427 PolarHBondContact O-N 2.96Å; L424-S427 PolarHBondContact O-N 2.81Å; R425-S427 VanDerWaalsContact C-N 3.35Å; S427-Y429 VanDerWaalsContact C-N 3.34Å; S427-K437 WeakPolarHBondContact O-CE 3.36Å
428	E	86.6	Confident	86	Confident	119 Å²	119	47 Å²	47	56%	0.556	24%	0.236	S	C	*	.	H	α-helix	trans	-69.5	-30.7	174.6	-165.5	-171.3	-178.9	0	0	111.9	L424 R425 Y426	L424-E428 PolarHBondContact O-N 2.8Å; R425-E428 VanDerWaalsContact O-CB 3.23Å; R425-E428 WeakPolarHBondContact O-CB 3.49Å; R425-E428 PolarHBondContact O-N 2.85Å; Y426-E428 PolarHBondContact O-N 3.02Å
429	Y	86.3	Confident	86.5	Confident	29 Å²	29	49.1 Å²	49.1	11%	0.114	25%	0.246	C	C	.	.	S	Bend	trans	-101	1.2	-176	-47	-36.2	0	0	0	113.5	R257 K260 A264 R425 Y426 S427	R257-Y429 WeakPolarHBondContact CD-O 3.27Å; R257-Y429 WeakPolarHBondContact CG-O 3.33Å; R257-Y429 PolarHBondContact NH1-O 3.3Å; K260-Y429 HydrophobicContact CB-CD1 4.32Å; K260-Y429 HydrophobicContact CB-CD2 3.77Å; K260-Y429 HydrophobicContact CB-CE2 3.94Å; K260-Y429 HydrophobicContact CB-CG 4Å; A264-Y429 HydrophobicContact CB-CD2 4.16Å; A264-Y429 HydrophobicContact CB-CE2 4.23Å; R425-Y429 HydrophobicContact CG-CE2 4.03Å; R425-Y429 PolarHBondContact NE-OH 2.58Å; Y426-Y429 PolarHBondContact O-N 3.37Å; Y426-Y429 VanDerWaalsContact O-N 3.16Å; S427-Y429 VanDerWaalsContact C-N 3.34Å
430	L	87.8	Confident	86.7	Confident	6 Å²	6	49 Å²	49	3%	0.031	25%	0.245	C	C	.	.	S	Bend	trans	-81.8	138.4	171.2	-63.8	179.3	0	0	0	111	L261 P345 Y426 E436 K437 A440	L261-L430 HydrophobicContact CD1-CD2 3.92Å; L261-L430 HydrophobicContact CD2-CD2 3.99Å; P345-L430 HydrophobicContact CB-CD2 3.97Å; P345-L430 HydrophobicContact CG-CD2 3.67Å; Y426-L430 HydrophobicContact CD1-CD1 4.08Å; Y426-L430 HydrophobicContact CE1-CD1 3.85Å; Y426-L430 HydrophobicContact CE1-CD2 4.32Å; Y426-L430 HydrophobicContact CE1-CG 4.37Å; L430-E436 HydrophobicContact CD1-CG 3.97Å; L430-E436 HydrophobicContact CD2-CG 4.19Å; L430-K437 HydrophobicContact CB-CB 4.13Å; L430-K437 HydrophobicContact CB-CD 3.97Å; L430-K437 HydrophobicContact CB-CG 4.13Å; L430-K437 HydrophobicContact CD1-CB 3.99Å; L430-K437 HydrophobicContact CD1-CG 4.29Å; L430-K437 PolarHBondContact O-NZ 3.5Å; L430-A440 HydrophobicContact CD1-CB 4Å
431	I	86.2	Confident	87	Confident	101 Å²	101	53.9 Å²	53.9	52%	0.518	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-59.5	141.6	172.5	-47.6	177.5	0	0	0	109.1	C434 K437	I431-C434 PolarHBondContact O-SG 3.31Å; I431-K437 WeakPolarHBondContact O-CD 3.24Å
432	D	78.9	Confident	87.5	Confident	114 Å²	114	58.4 Å²	58.4	61%	0.61	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	154.3	170.9	-61.6	-62.8	0	0	0	112.2	C434 K437	D432-C434 PolarHBondContact O-N 3.39Å; D432-C434 VanDerWaalsContact O-N 3.09Å; D432-K437 IonicContact OD1-NZ 3.69Å; D432-K437 PolarHBondContact OD1-NZ 3.08Å; D432-K437 IonicContact OD2-NZ 3.18Å
433	D	78.3	Confident	87.8	Confident	175 Å²	175	58.4 Å²	58.4	94%	0.936	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	20.1	179.9	-52.3	-29.4	0	0	0	116.7
434	C	87.2	Confident	87.9	Confident	41 Å²	41	59.4 Å²	59.4	28%	0.277	30%	0.295	S	S	.	.			trans	-93.8	145.2	174.7	92.8	0	0	0	0	113.7	I431 D432 E436 K437 E438	I431-C434 PolarHBondContact O-SG 3.31Å; D432-C434 PolarHBondContact O-N 3.39Å; D432-C434 VanDerWaalsContact O-N 3.09Å; C434-E436 VanDerWaalsContact C-N 3.27Å; C434-E436 PolarHBondContact O-N 3.3Å; C434-K437 WeakPolarHBondContact O-CA 3.26Å; C434-K437 WeakPolarHBondContact O-CB 3.45Å; C434-K437 PolarHBondContact O-N 3.4Å; C434-K437 PolarHBondContact SG-N 3.06Å; C434-E438 PolarHBondContact O-N 3.4Å
435	D	88.4	Confident	88.2	Confident	98 Å²	98	63 Å²	63	52%	0.524	31%	0.311	S	S	.	.	H	α-helix	trans	-57.7	-30.4	-178	158.3	86.7	0	0	0	114.1	K439	D435-K439 WeakPolarHBondContact O-CD 3.34Å; D435-K439 VanDerWaalsContact O-CG 3.3Å; D435-K439 WeakPolarHBondContact O-CG 3.5Å; D435-K439 PolarHBondContact O-N 3.11Å; D435-K439 WeakPolarHBondContact OD1-CE 3.46Å; D435-K439 IonicContact OD1-NZ 3.04Å; D435-K439 PolarHBondContact OD1-NZ 2.96Å; D435-K439 IonicContact OD2-NZ 3.85Å; D435-K439 PolarHBondContact OD2-NZ 3.49Å
436	E	90.4	Very high	88.4	Confident	14 Å²	14	64.4 Å²	64.4	7%	0.065	32%	0.318	C	S	.	.	H	α-helix	trans	-75.2	-25.7	172.4	178.9	68.6	169.3	0	0	112.3	P345 N346 M347 S348 Y426 L430 C434 K439 A440	P345-E436 HydrophobicContact CB-CG 4.15Å; P345-E436 HydrophobicContact CG-CB 4.37Å; P345-E436 HydrophobicContact CG-CG 4.12Å; P345-E436 WeakPolarHBondContact O-CG 3.4Å; N346-E436 WeakPolarHBondContact CA-OE1 3.29Å; N346-E436 PolarHBondContact N-OE1 2.93Å; M347-E436 PolarHBondContact N-OE1 3.26Å; S348-E436 WeakPolarHBondContact CB-OE1 3.32Å; S348-E436 PolarHBondContact N-OE1 3.49Å; S348-E436 PolarHBondContact OG-OE1 2.88Å; Y426-E436 HydrophobicContact CE1-CG 4.15Å; Y426-E436 WeakPolarHBondContact CE1-OE1 3.5Å; Y426-E436 PolarHBondContact OH-OE1 2.97Å; L430-E436 HydrophobicContact CD1-CG 3.97Å; L430-E436 HydrophobicContact CD2-CG 4.19Å; C434-E436 VanDerWaalsContact C-N 3.27Å; C434-E436 PolarHBondContact O-N 3.3Å; E436-K439 PolarHBondContact O-N 3.36Å; E436-A440 WeakPolarHBondContact O-CB 3.26Å; E436-A440 PolarHBondContact O-N 3.24Å
437	K	89.5	Confident	88.4	Confident	25 Å²	25	64.4 Å²	64.4	11%	0.109	32%	0.318	C	S	.	.	H	α-helix	trans	-76.1	-37	177.9	-163.6	166.6	-171.6	169	0	111.8	S427 L430 I431 D432 C434 A440 Q441	S427-K437 WeakPolarHBondContact O-CE 3.36Å; L430-K437 HydrophobicContact CB-CB 4.13Å; L430-K437 HydrophobicContact CB-CD 3.97Å; L430-K437 HydrophobicContact CB-CG 4.13Å; L430-K437 HydrophobicContact CD1-CB 3.99Å; L430-K437 HydrophobicContact CD1-CG 4.29Å; L430-K437 PolarHBondContact O-NZ 3.5Å; I431-K437 WeakPolarHBondContact O-CD 3.24Å; D432-K437 IonicContact OD1-NZ 3.69Å; D432-K437 PolarHBondContact OD1-NZ 3.08Å; D432-K437 IonicContact OD2-NZ 3.18Å; C434-K437 WeakPolarHBondContact O-CA 3.26Å; C434-K437 WeakPolarHBondContact O-CB 3.45Å; C434-K437 PolarHBondContact O-N 3.4Å; C434-K437 PolarHBondContact SG-N 3.06Å; K437-A440 WeakPolarHBondContact O-CB 3.34Å; K437-A440 PolarHBondContact O-N 2.99Å; K437-Q441 WeakPolarHBondContact O-CG 3.23Å; K437-Q441 PolarHBondContact O-N 3.09Å
438	E	90.8	Very high	88.2	Confident	127 Å²	127	65.4 Å²	65.4	59%	0.593	32%	0.322	S	S	*	.	H	α-helix	trans	-59.6	-46.5	167.6	-173.9	176.3	-163.1	0	0	110.7	C434 A440 Q441 E442	C434-E438 PolarHBondContact O-N 3.4Å; E438-A440 VanDerWaalsContact C-N 3.32Å; E438-A440 PolarHBondContact O-N 3.43Å; E438-Q441 WeakPolarHBondContact O-CB 3.05Å; E438-Q441 PolarHBondContact O-N 2.69Å; E438-Q441 VanDerWaalsContact O-N 3.16Å; E438-E442 PolarHBondContact O-N 3.19Å
439	K	91.7	Very high	88.2	Confident	74 Å²	74	64.1 Å²	64.1	32%	0.322	32%	0.318	S	S	.	.	H	α-helix	trans	-64.1	-33.8	175.1	-70.1	164.2	-167.3	166.2	0	113.2	D435 E436 A443	D435-K439 WeakPolarHBondContact O-CD 3.34Å; D435-K439 VanDerWaalsContact O-CG 3.3Å; D435-K439 WeakPolarHBondContact O-CG 3.5Å; D435-K439 PolarHBondContact O-N 3.11Å; D435-K439 WeakPolarHBondContact OD1-CE 3.46Å; D435-K439 IonicContact OD1-NZ 3.04Å; D435-K439 PolarHBondContact OD1-NZ 2.96Å; D435-K439 IonicContact OD2-NZ 3.85Å; D435-K439 PolarHBondContact OD2-NZ 3.49Å; E436-K439 PolarHBondContact O-N 3.36Å; K439-A443 WeakPolarHBondContact O-CB 3.31Å; K439-A443 PolarHBondContact O-N 3.26Å
440	A	91.9	Very high	88	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-64.3	-44.7	173.1	0	0	0	0	0	110.8	S348 M423 L430 E436 K437 E438 A443 I444	S348-A440 VanDerWaalsContact OG-CA 3.24Å; S348-A440 WeakPolarHBondContact OG-CA 3.28Å; S348-A440 VanDerWaalsContact OG-CB 3.3Å; S348-A440 WeakPolarHBondContact OG-CB 3.17Å; S348-A440 PolarHBondContact OG-N 3.14Å; M423-A440 HydrophobicContact SD-CB 4.1Å; L430-A440 HydrophobicContact CD1-CB 4Å; E436-A440 WeakPolarHBondContact O-CB 3.26Å; E436-A440 PolarHBondContact O-N 3.24Å; K437-A440 WeakPolarHBondContact O-CB 3.34Å; K437-A440 PolarHBondContact O-N 2.99Å; E438-A440 VanDerWaalsContact C-N 3.32Å; E438-A440 PolarHBondContact O-N 3.43Å; A440-A443 PolarHBondContact O-N 3.32Å; A440-I444 WeakPolarHBondContact O-CB 3.45Å; A440-I444 WeakPolarHBondContact O-CD1 3.26Å; A440-I444 WeakPolarHBondContact O-CG1 3.44Å; A440-I444 PolarHBondContact O-N 2.97Å
441	Q	91.6	Very high	87.5	Confident	114 Å²	114	63 Å²	63	53%	0.533	31%	0.314	S	S	.	.	H	α-helix	trans	-63.8	-42.8	176.1	-69.7	173.1	5.6	0	0	112.1	K437 E438 A443 I444 Q445	K437-Q441 WeakPolarHBondContact O-CG 3.23Å; K437-Q441 PolarHBondContact O-N 3.09Å; E438-Q441 WeakPolarHBondContact O-CB 3.05Å; E438-Q441 PolarHBondContact O-N 2.69Å; E438-Q441 VanDerWaalsContact O-N 3.16Å; Q441-A443 PolarHBondContact O-N 3.08Å; Q441-I444 WeakPolarHBondContact O-CB 3.16Å; Q441-I444 PolarHBondContact O-N 3.4Å; Q441-Q445 PolarHBondContact O-N 2.93Å
442	E	91.6	Very high	87.1	Confident	102 Å²	102	61.8 Å²	61.8	48%	0.477	31%	0.307	S	S	.	.	H	α-helix	trans	-56.5	-48.2	170.4	-82.7	-157.5	-178	0	0	112.2	E438 I444 Q445 K446	E438-E442 PolarHBondContact O-N 3.19Å; E442-I444 VanDerWaalsContact C-N 3.33Å; E442-I444 PolarHBondContact O-N 3.05Å; E442-Q445 PolarHBondContact O-N 2.96Å; E442-K446 WeakPolarHBondContact O-CD 3.43Å; E442-K446 WeakPolarHBondContact O-CG 3.43Å; E442-K446 PolarHBondContact O-N 3.46Å; E442-K446 IonicContact OE2-NZ 2.66Å; E442-K446 PolarHBondContact OE2-NZ 3.09Å
443	A	91.9	Very high	86.7	Confident	1 Å²	1	59.1 Å²	59.1	1%	0.008	30%	0.301	C	S	.	.	H	α-helix	trans	-64.6	-39.5	-178.9	0	0	0	0	0	111.2	M423 K439 A440 Q441 K446 L447	M423-A443 HydrophobicContact CE-CB 4.36Å; M423-A443 HydrophobicContact CG-CB 4.2Å; K439-A443 WeakPolarHBondContact O-CB 3.31Å; K439-A443 PolarHBondContact O-N 3.26Å; A440-A443 PolarHBondContact O-N 3.32Å; Q441-A443 PolarHBondContact O-N 3.08Å; A443-K446 PolarHBondContact O-N 2.95Å; A443-L447 WeakPolarHBondContact O-CB 3.22Å; A443-L447 WeakPolarHBondContact O-CD1 3.14Å; A443-L447 WeakPolarHBondContact O-CG 3.27Å; A443-L447 PolarHBondContact O-N 3.47Å
444	I	90.1	Very high	86.3	Confident	21 Å²	21	50.9 Å²	50.9	11%	0.108	26%	0.257	C	S	.	.	H	α-helix	trans	-58.5	-48.6	171.7	-73.6	158.1	0	0	0	110.4	M423 L424 A440 Q441 E442 K446 L447 E448	M423-I444 HydrophobicContact CB-CG1 3.95Å; M423-I444 HydrophobicContact CG-CD1 4.14Å; M423-I444 HydrophobicContact CG-CG1 3.64Å; L424-I444 HydrophobicContact CD2-CD1 3.74Å; L424-I444 HydrophobicContact CD2-CG1 4.01Å; L424-I444 HydrophobicContact CD2-CG2 3.78Å; L424-I444 HydrophobicContact CG-CD1 4.25Å; L424-I444 HydrophobicContact CG-CG1 4.19Å; L424-I444 HydrophobicContact CG-CG2 4.45Å; A440-I444 WeakPolarHBondContact O-CB 3.45Å; A440-I444 WeakPolarHBondContact O-CD1 3.26Å; A440-I444 WeakPolarHBondContact O-CG1 3.44Å; A440-I444 PolarHBondContact O-N 2.97Å; Q441-I444 WeakPolarHBondContact O-CB 3.16Å; Q441-I444 PolarHBondContact O-N 3.4Å; E442-I444 VanDerWaalsContact C-N 3.33Å; E442-I444 PolarHBondContact O-N 3.05Å; I444-K446 PolarHBondContact O-N 3.36Å; I444-L447 CarbonylContact O-C 3.53Å; I444-L447 PolarHBondContact O-N 2.87Å; I444-E448 VanDerWaalsContact O-CB 3.29Å; I444-E448 WeakPolarHBondContact O-CB 3.44Å; I444-E448 PolarHBondContact O-N 2.87Å
445	Q	90.4	Very high	85.3	Confident	100 Å²	100	49.5 Å²	49.5	47%	0.467	25%	0.246	S	C	.	.	H	α-helix	trans	-66.9	-35.8	-179	-168.9	62.9	60.6	0	0	112.5	Q441 E442 E448 N449	Q441-Q445 PolarHBondContact O-N 2.93Å; E442-Q445 PolarHBondContact O-N 2.96Å; Q445-E448 WeakPolarHBondContact O-CB 3.25Å; Q445-E448 PolarHBondContact O-N 2.97Å; Q445-N449 PolarHBondContact NE2-OD1 3.08Å; Q445-N449 WeakPolarHBondContact O-CB 2.99Å; Q445-N449 PolarHBondContact O-N 2.66Å; Q445-N449 PolarHBondContact O-ND2 3.46Å; Q445-N449 PolarHBondContact O-OD1 2.95Å
446	K	88.8	Confident	84.3	Confident	76 Å²	76	52.3 Å²	52.3	33%	0.33	26%	0.256	S	S	.	.	H	α-helix	trans	-64.1	-44.5	173.3	-72.2	160.4	-177.2	165.6	0	111	A355 E442 A443 I444 V450	A355-K446 HydrophobicContact CB-CB 3.95Å; E442-K446 WeakPolarHBondContact O-CD 3.43Å; E442-K446 WeakPolarHBondContact O-CG 3.43Å; E442-K446 PolarHBondContact O-N 3.46Å; E442-K446 IonicContact OE2-NZ 2.66Å; E442-K446 PolarHBondContact OE2-NZ 3.09Å; A443-K446 PolarHBondContact O-N 2.95Å; I444-K446 PolarHBondContact O-N 3.36Å; K446-V450 WeakPolarHBondContact O-CB 3.35Å; K446-V450 VanDerWaalsContact O-CG2 3.29Å; K446-V450 WeakPolarHBondContact O-CG2 3.15Å; K446-V450 PolarHBondContact O-N 3.19Å; K446-V450 VanDerWaalsContact O-N 3.12Å
447	L	88.9	Confident	82.9	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.005	28%	0.28	C	S	.	.	H	α-helix	trans	-68.6	-35.9	176	-67.4	167.8	0	0	0	112.7	I351 A355 L358 K420 M423 A443 I444 T451	I351-L447 HydrophobicContact CG2-CD1 3.94Å; A355-L447 HydrophobicContact CB-CD2 3.84Å; A355-L447 HydrophobicContact CB-CG 4.15Å; L358-L447 HydrophobicContact CD1-CD2 3.51Å; K420-L447 HydrophobicContact CB-CB 4.14Å; K420-L447 HydrophobicContact CG-CB 4.31Å; M423-L447 HydrophobicContact CB-CD1 4.41Å; A443-L447 WeakPolarHBondContact O-CB 3.22Å; A443-L447 WeakPolarHBondContact O-CD1 3.14Å; A443-L447 WeakPolarHBondContact O-CG 3.27Å; A443-L447 PolarHBondContact O-N 3.47Å; I444-L447 CarbonylContact O-C 3.53Å; I444-L447 PolarHBondContact O-N 2.87Å; L447-T451 WeakPolarHBondContact O-CB 3.47Å; L447-T451 VanDerWaalsContact O-CG2 3.26Å; L447-T451 WeakPolarHBondContact O-CG2 3.49Å; L447-T451 PolarHBondContact O-N 3.47Å; L447-T451 PolarHBondContact O-OG1 3.21Å
448	E	85.6	Confident	81.6	Confident	36 Å²	36	58.8 Å²	58.8	17%	0.168	29%	0.285	C	S	.	.	H	α-helix	trans	-55.9	-58.5	170.9	-179	83.2	-95	0	0	110.1	K420 I444 Q445 V450 T451 Q452	K420-E448 WeakPolarHBondContact CE-OE2 3.4Å; K420-E448 IonicContact NZ-OE1 3.53Å; K420-E448 PolarHBondContact NZ-OE1 3.23Å; K420-E448 IonicContact NZ-OE2 3.89Å; K420-E448 PolarHBondContact NZ-OE2 3.46Å; I444-E448 VanDerWaalsContact O-CB 3.29Å; I444-E448 WeakPolarHBondContact O-CB 3.44Å; I444-E448 PolarHBondContact O-N 2.87Å; Q445-E448 WeakPolarHBondContact O-CB 3.25Å; Q445-E448 PolarHBondContact O-N 2.97Å; E448-V450 VanDerWaalsContact C-N 3.31Å; E448-V450 PolarHBondContact O-N 3.33Å; E448-T451 PolarHBondContact O-N 3.15Å; E448-T451 VanDerWaalsContact O-N 3.16Å; E448-T451 PolarHBondContact O-OG1 3.14Å; E448-T451 VanDerWaalsContact O-OG1 3.13Å; E448-Q452 HydrophobicContact CG-CG 4.48Å; E448-Q452 WeakPolarHBondContact O-CB 3.32Å; E448-Q452 WeakPolarHBondContact O-CG 3.31Å; E448-Q452 PolarHBondContact O-N 2.87Å; E448-Q452 PolarHBondContact OE1-NE2 3.35Å
449	N	85.2	Confident	79.8	Confident	91 Å²	91	56.2 Å²	56.2	49%	0.487	29%	0.294	S	S	.	.	H	α-helix	trans	-58.1	-43.2	-177.8	-63.8	-5.2	0	0	0	111.9	Q445 A453	Q445-N449 PolarHBondContact NE2-OD1 3.08Å; Q445-N449 WeakPolarHBondContact O-CB 2.99Å; Q445-N449 PolarHBondContact O-N 2.66Å; Q445-N449 PolarHBondContact O-ND2 3.46Å; Q445-N449 PolarHBondContact O-OD1 2.95Å; N449-A453 PolarHBondContact O-N 2.63Å
450	V	82.3	Confident	77.9	Confident	9 Å²	9	55.9 Å²	55.9	6%	0.055	30%	0.295	C	S	.	.	H	α-helix	trans	-67.7	-40.5	178.6	171.4	0	0	0	0	112	L358 K359 F416 K446 E448	L358-V450 HydrophobicContact CB-CG1 4.45Å; K359-V450 HydrophobicContact CG-CG1 4.13Å; K359-V450 HydrophobicContact CG-CG2 4.48Å; F416-V450 HydrophobicContact CE2-CG1 3.68Å; F416-V450 HydrophobicContact CZ-CG1 3.73Å; K446-V450 WeakPolarHBondContact O-CB 3.35Å; K446-V450 VanDerWaalsContact O-CG2 3.29Å; K446-V450 WeakPolarHBondContact O-CG2 3.15Å; K446-V450 PolarHBondContact O-N 3.19Å; K446-V450 VanDerWaalsContact O-N 3.12Å; E448-V450 VanDerWaalsContact C-N 3.31Å; E448-V450 PolarHBondContact O-N 3.33Å
451	T	78.1	Confident	76.1	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.012	31%	0.313	C	S	.	.	H	α-helix	trans	-76.2	-36	-179.4	53.9	0	0	0	0	113.1	F416 M417 L447 E448 V454 N455	F416-T451 HydrophobicContact CD1-CG2 4.05Å; F416-T451 HydrophobicContact CE1-CG2 3.76Å; F416-T451 HydrophobicContact CZ-CG2 4.21Å; M417-T451 HydrophobicContact CE-CG2 3.94Å; M417-T451 HydrophobicContact SD-CG2 3.59Å; M417-T451 VanDerWaalsContact SD-CG2 3.59Å; L447-T451 WeakPolarHBondContact O-CB 3.47Å; L447-T451 VanDerWaalsContact O-CG2 3.26Å; L447-T451 WeakPolarHBondContact O-CG2 3.49Å; L447-T451 PolarHBondContact O-N 3.47Å; L447-T451 PolarHBondContact O-OG1 3.21Å; E448-T451 PolarHBondContact O-N 3.15Å; E448-T451 VanDerWaalsContact O-N 3.16Å; E448-T451 PolarHBondContact O-OG1 3.14Å; E448-T451 VanDerWaalsContact O-OG1 3.13Å; T451-V454 PolarHBondContact O-N 3.24Å; T451-N455 PolarHBondContact O-N 3.31Å; T451-N455 VanDerWaalsContact O-N 3.08Å; T451-N455 PolarHBondContact O-ND2 2.74Å
452	Q	77	Confident	74.3	Confident	77 Å²	77	56.7 Å²	56.7	36%	0.36	31%	0.309	S	S	.	.	H	α-helix	trans	-62.9	-47	175.9	-73.1	-175	11.7	0	0	112	E448 V454 N455 Q456	E448-Q452 HydrophobicContact CG-CG 4.48Å; E448-Q452 WeakPolarHBondContact O-CB 3.32Å; E448-Q452 WeakPolarHBondContact O-CG 3.31Å; E448-Q452 PolarHBondContact O-N 2.87Å; E448-Q452 PolarHBondContact OE1-NE2 3.35Å; Q452-V454 VanDerWaalsContact C-N 3.25Å; Q452-V454 PolarHBondContact O-N 2.85Å; Q452-N455 PolarHBondContact O-N 3.1Å; Q452-N455 VanDerWaalsContact O-N 3.12Å; Q452-Q456 WeakPolarHBondContact O-CG 3.45Å; Q452-Q456 PolarHBondContact O-N 3.31Å
453	A	71.6	Confident	72.6	Confident	58 Å²	58	52.2 Å²	52.2	48%	0.479	29%	0.288	S	S	.	.	H	α-helix	trans	-57.9	-35.3	-179.4	0	0	0	0	0	113.3	N449	N449-A453 PolarHBondContact O-N 2.63Å
454	V	68.8	Low	71.1	Confident	2 Å²	2	57 Å²	57	1%	0.012	31%	0.31	C	S	.	.	H	α-helix	trans	-76.7	-43.2	174.9	175.3	0	0	0	0	111.6	Q362 L365 F416 T451 Q452 Q456 K457 M458	Q362-V454 HydrophobicContact CB-CG2 4.48Å; Q362-V454 HydrophobicContact CG-CG2 4.31Å; L365-V454 HydrophobicContact CB-CG1 4.14Å; L365-V454 HydrophobicContact CD1-CG1 3.85Å; F416-V454 HydrophobicContact CE1-CB 3.88Å; F416-V454 HydrophobicContact CE1-CG1 4.18Å; F416-V454 HydrophobicContact CE1-CG2 3.97Å; F416-V454 HydrophobicContact CZ-CB 4.03Å; F416-V454 HydrophobicContact CZ-CG2 3.58Å; T451-V454 PolarHBondContact O-N 3.24Å; Q452-V454 VanDerWaalsContact C-N 3.25Å; Q452-V454 PolarHBondContact O-N 2.85Å; V454-Q456 PolarHBondContact O-N 2.84Å; V454-K457 PolarHBondContact O-N 2.64Å; V454-M458 HydrophobicContact CG1-CG 4.11Å; V454-M458 VanDerWaalsContact O-CG 3.28Å; V454-M458 WeakPolarHBondContact O-CG 3.4Å; V454-M458 PolarHBondContact O-N 2.82Å; V454-M458 VanDerWaalsContact O-N 3.15Å
455	N	67.3	Low	70.1	Confident	11 Å²	11	59.6 Å²	59.6	6%	0.059	32%	0.322	C	S	.	.	H	α-helix	trans	-68.9	-35.5	-175.5	-81.6	-94.7	0	0	0	113	M417 T451 Q452 K457 M458 G459 T463	M417-N455 PolarHBondContact SD-ND2 3.4Å; T451-N455 PolarHBondContact O-N 3.31Å; T451-N455 VanDerWaalsContact O-N 3.08Å; T451-N455 PolarHBondContact O-ND2 2.74Å; Q452-N455 PolarHBondContact O-N 3.1Å; Q452-N455 VanDerWaalsContact O-N 3.12Å; N455-K457 PolarHBondContact O-N 2.97Å; N455-M458 PolarHBondContact O-N 2.91Å; N455-M458 VanDerWaalsContact O-N 3.14Å; N455-G459 PolarHBondContact O-N 2.92Å; N455-T463 HydrophobicContact CB-CG2 3.83Å; N455-T463 VanDerWaalsContact CG-CG2 3.44Å; N455-T463 VanDerWaalsContact ND2-CG2 3.27Å; N455-T463 WeakPolarHBondContact ND2-CG2 3.48Å
456	Q	66.9	Low	69	Low	157 Å²	157	56.4 Å²	56.4	73%	0.734	31%	0.308	S	S	*	.	H	α-helix	trans	-57.5	-37.3	172.3	-73.1	174.6	0.3	0	0	112.4	Q452 V454	Q452-Q456 WeakPolarHBondContact O-CG 3.45Å; Q452-Q456 PolarHBondContact O-N 3.31Å; V454-Q456 PolarHBondContact O-N 2.84Å
457	K	61.6	Low	67.8	Low	131 Å²	131	53.3 Å²	53.3	57%	0.57	30%	0.296	S	S	*	.	H	α-helix	trans	-77.7	-24.7	178.4	-168.9	176.3	175.1	-172.5	0	113.3	D366 V454 N455	D366-K457 VanDerWaalsContact CG-NZ 3.31Å; D366-K457 WeakPolarHBondContact OD1-CD 3.48Å; D366-K457 IonicContact OD1-NZ 3.3Å; D366-K457 IonicContact OD2-NZ 3.86Å; D366-K457 PolarHBondContact OD2-NZ 2.89Å; V454-K457 PolarHBondContact O-N 2.64Å; N455-K457 PolarHBondContact O-N 2.97Å
458	M	60.6	Low	67.1	Low	44 Å²	44	58.9 Å²	58.9	22%	0.217	32%	0.32	C	S	.	.	H	α-helix	trans	-90.7	-11.6	-174.1	-73.4	-62.4	-62.8	0	0	115.1	L365 V454 N455 L460	L365-M458 WeakPolarHBondContact O-CE 3.29Å; V454-M458 HydrophobicContact CG1-CG 4.11Å; V454-M458 VanDerWaalsContact O-CG 3.28Å; V454-M458 WeakPolarHBondContact O-CG 3.4Å; V454-M458 PolarHBondContact O-N 2.82Å; V454-M458 VanDerWaalsContact O-N 3.15Å; N455-M458 PolarHBondContact O-N 2.91Å; N455-M458 VanDerWaalsContact O-N 3.14Å; M458-L460 HydrophobicContact CB-CD1 3.99Å; M458-L460 HydrophobicContact CB-CG 4Å; M458-L460 HydrophobicContact CE-CD1 4.49Å; M458-L460 PolarHBondContact O-N 3.49Å
459	G	53.1	Low	66.8	Low	74 Å²	74	57.3 Å²	57.3	76%	0.763	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	21.9	179.9	0	0	0	0	0	114.5	N455	N455-G459 PolarHBondContact O-N 2.92Å
460	L	53.4	Low	66.1	Low	67 Å²	67	53.2 Å²	53.2	35%	0.351	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-85.9	156.3	180	-67.7	174.5	0	0	0	111.2	M458 T462	M458-L460 HydrophobicContact CB-CD1 3.99Å; M458-L460 HydrophobicContact CB-CG 4Å; M458-L460 HydrophobicContact CE-CD1 4.49Å; M458-L460 PolarHBondContact O-N 3.49Å; L460-T462 PolarHBondContact O-N 2.87Å
461	P	54	Low	65.5	Low	58 Å²	58	57 Å²	57	38%	0.377	30%	0.304	S	S	.	.	S	Bend	trans	-51.3	137.2	167.2	22.6	-34.1	0	0	0	109.8	E465	P461-E465 WeakPolarHBondContact CB-OE2 3.4Å
462	T	54.1	Low	65.6	Low	72 Å²	72	59.4 Å²	59.4	44%	0.442	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-63	152.3	-161.9	58.3	0	0	0	0	112	L460 E464 E465	L460-T462 PolarHBondContact O-N 2.87Å; T462-E464 PolarHBondContact O-N 3.47Å; T462-E465 PolarHBondContact O-N 3.35Å
463	T	55	Low	65.7	Low	8 Å²	8	55.8 Å²	55.8	5%	0.049	30%	0.296	C	S	.	.	H	α-helix	trans	-46.4	-37.5	171.7	57.7	0	0	0	0	111.5	M417 N455 T467	M417-T463 HydrophobicContact CE-CG2 3.4Å; M417-T463 HydrophobicContact SD-CG2 3.72Å; N455-T463 HydrophobicContact CB-CG2 3.83Å; N455-T463 VanDerWaalsContact CG-CG2 3.44Å; N455-T463 VanDerWaalsContact ND2-CG2 3.27Å; N455-T463 WeakPolarHBondContact ND2-CG2 3.48Å; T463-T467 WeakPolarHBondContact O-CB 3.5Å; T463-T467 PolarHBondContact O-N 2.75Å; T463-T467 PolarHBondContact O-OG1 3.17Å
464	E	60	Low	65.6	Low	102 Å²	102	56.7 Å²	56.7	48%	0.477	29%	0.291	S	S	.	.	H	α-helix	trans	-61.3	-42.7	177.9	-157.1	-166.7	151.4	0	0	113.6	T462 T467 K468	T462-E464 PolarHBondContact O-N 3.47Å; E464-T467 PolarHBondContact O-N 2.75Å; E464-K468 HydrophobicContact CG-CD 4.16Å; E464-K468 WeakPolarHBondContact O-CB 3.17Å; E464-K468 WeakPolarHBondContact O-CG 3.44Å; E464-K468 PolarHBondContact O-N 3.01Å; E464-K468 WeakPolarHBondContact OE1-CE 3.26Å; E464-K468 IonicContact OE1-NZ 2.71Å; E464-K468 PolarHBondContact OE1-NZ 3.17Å
465	E	68.9	Low	65.2	Low	76 Å²	76	57 Å²	57	36%	0.355	29%	0.293	S	S	.	.	H	α-helix	trans	-65.4	-48.1	178.5	-69.6	-166.4	123.8	0	0	111.7	P461 T462 T467 K468 L469	P461-E465 WeakPolarHBondContact CB-OE2 3.4Å; T462-E465 PolarHBondContact O-N 3.35Å; E465-T467 VanDerWaalsContact C-N 3.31Å; E465-T467 PolarHBondContact O-N 3.05Å; E465-K468 PolarHBondContact O-N 2.98Å; E465-L469 VanDerWaalsContact O-CB 3.26Å; E465-L469 WeakPolarHBondContact O-CB 3.26Å; E465-L469 PolarHBondContact O-N 3.38Å
466	L	67.7	Low	64.9	Low	33 Å²	33	59.9 Å²	59.9	17%	0.173	31%	0.306	C	S	.	.	H	α-helix	trans	-68.6	-31.4	177.8	-64.9	175.6	0	0	0	111.9	Y470 V479 L480 L486	L466-Y470 VanDerWaalsContact O-CB 3.31Å; L466-Y470 WeakPolarHBondContact O-CB 3.43Å; L466-Y470 PolarHBondContact O-N 3.12Å; L466-V479 HydrophobicContact CD2-CG1 3.92Å; L466-L480 HydrophobicContact CD1-CD2 4.34Å; L466-L486 HydrophobicContact CD2-CB 4.09Å; L466-L486 HydrophobicContact CD2-CD2 4.13Å
467	T	64.6	Low	65.2	Low	11 Å²	11	52.9 Å²	52.9	7%	0.067	27%	0.273	C	S	.	.	H	α-helix	trans	-69	-49.4	173.3	-60.9	0	0	0	0	111.2	L421 L424 T463 E464 E465 L469 Y470 Y471	L421-T467 HydrophobicContact CD2-CG2 3.8Å; L424-T467 HydrophobicContact CD1-CG2 3.99Å; T463-T467 WeakPolarHBondContact O-CB 3.5Å; T463-T467 PolarHBondContact O-N 2.75Å; T463-T467 PolarHBondContact O-OG1 3.17Å; E464-T467 PolarHBondContact O-N 2.75Å; E465-T467 VanDerWaalsContact C-N 3.31Å; E465-T467 PolarHBondContact O-N 3.05Å; T467-L469 VanDerWaalsContact C-N 3.26Å; T467-L469 PolarHBondContact O-N 3.06Å; T467-Y470 PolarHBondContact O-N 2.99Å; T467-Y471 HydrophobicContact CG2-CD2 3.74Å; T467-Y471 HydrophobicContact CG2-CE2 3.8Å; T467-Y471 WeakPolarHBondContact O-CB 3.19Å; T467-Y471 WeakPolarHBondContact O-CD2 3.4Å; T467-Y471 PolarHBondContact O-N 3.36Å
468	K	74.5	Confident	65.6	Low	117 Å²	117	48.7 Å²	48.7	51%	0.509	26%	0.257	S	S	.	.	H	α-helix	trans	-54.6	-43.7	172.7	-79.9	166.5	164.9	170.9	0	110.8	E464 E465 R472	E464-K468 HydrophobicContact CG-CD 4.16Å; E464-K468 WeakPolarHBondContact O-CB 3.17Å; E464-K468 WeakPolarHBondContact O-CG 3.44Å; E464-K468 PolarHBondContact O-N 3.01Å; E464-K468 WeakPolarHBondContact OE1-CE 3.26Å; E464-K468 IonicContact OE1-NZ 2.71Å; E464-K468 PolarHBondContact OE1-NZ 3.17Å; E465-K468 PolarHBondContact O-N 2.98Å; K468-R472 WeakPolarHBondContact O-CB 3.32Å; K468-R472 VanDerWaalsContact O-CG 3.29Å; K468-R472 WeakPolarHBondContact O-CG 3.3Å; K468-R472 PolarHBondContact O-N 2.77Å
469	L	78.1	Confident	66	Low	3 Å²	3	46.8 Å²	46.8	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-66	-47.4	178.5	-167.6	71	0	0	0	112.2	E465 T467 Y471 R472 F473 V479 L486 V506 F508 F523	E465-L469 VanDerWaalsContact O-CB 3.26Å; E465-L469 WeakPolarHBondContact O-CB 3.26Å; E465-L469 PolarHBondContact O-N 3.38Å; T467-L469 VanDerWaalsContact C-N 3.26Å; T467-L469 PolarHBondContact O-N 3.06Å; L469-Y471 VanDerWaalsContact C-N 3.32Å; L469-Y471 PolarHBondContact O-N 3.3Å; L469-R472 PolarHBondContact O-N 3.41Å; L469-F473 HydrophobicContact CD1-CD2 4.36Å; L469-F473 HydrophobicContact CD1-CE2 3.95Å; L469-F473 HydrophobicContact CD2-CE2 4.41Å; L469-F473 HydrophobicContact CG-CD2 3.99Å; L469-F473 HydrophobicContact CG-CE2 3.87Å; L469-F473 VanDerWaalsContact O-CD2 3.24Å; L469-F473 WeakPolarHBondContact O-CD2 3.45Å; L469-F473 PolarHBondContact O-N 3.36Å; L469-V479 HydrophobicContact CD2-CG1 3.98Å; L469-V479 HydrophobicContact CD2-CG2 4.25Å; L469-V479 HydrophobicContact CG-CG2 4.28Å; L469-L486 HydrophobicContact CD2-CD1 4.23Å; L469-L486 HydrophobicContact CD2-CD2 4.29Å; L469-V506 HydrophobicContact CD1-CG1 3.93Å; L469-V506 HydrophobicContact CD1-CG2 3.92Å; L469-V506 HydrophobicContact CD2-CG1 3.9Å; L469-V506 HydrophobicContact CG-CG1 4.5Å; L469-F508 HydrophobicContact CD2-CE1 4.16Å; L469-F508 HydrophobicContact CD2-CZ 3.74Å; L469-F523 HydrophobicContact CD1-CE2 4.01Å; L469-F523 HydrophobicContact CD1-CZ 4.31Å
470	Y	70.8	Confident	66.6	Low	6 Å²	6	44 Å²	44	2%	0.024	22%	0.215	C	C	.	.	H	α-helix	trans	-61.4	-40.6	176.9	-178.6	-103.7	0	0	0	112.2	L421 L466 T467 F473 Q474 C475 V479	L421-Y470 HydrophobicContact CB-CD1 3.91Å; L421-Y470 HydrophobicContact CB-CE1 3.73Å; L421-Y470 HydrophobicContact CD1-CD1 3.85Å; L421-Y470 HydrophobicContact CD1-CD2 4.29Å; L421-Y470 HydrophobicContact CD1-CE1 4.26Å; L421-Y470 HydrophobicContact CD1-CG 3.85Å; L421-Y470 HydrophobicContact CD2-CD1 3.94Å; L421-Y470 HydrophobicContact CD2-CG 4.45Å; L421-Y470 HydrophobicContact CG-CD1 4.11Å; L421-Y470 HydrophobicContact CG-CE1 4.42Å; L466-Y470 VanDerWaalsContact O-CB 3.31Å; L466-Y470 WeakPolarHBondContact O-CB 3.43Å; L466-Y470 PolarHBondContact O-N 3.12Å; T467-Y470 PolarHBondContact O-N 2.99Å; Y470-F473 CarbonylContact O-C 3.52Å; Y470-F473 PolarHBondContact O-N 3.05Å; Y470-Q474 PolarHBondContact O-N 3.33Å; Y470-C475 HydrophobicContact CE1-CB 3.78Å; Y470-C475 WeakPolarHBondContact CE1-SG 3.5Å; Y470-C475 HydrophobicContact CE2-CB 4.41Å; Y470-C475 PolarHBondContact O-N 3.3Å; Y470-C475 VanDerWaalsContact O-N 3.16Å; Y470-V479 HydrophobicContact CD2-CB 4.35Å; Y470-V479 HydrophobicContact CD2-CG2 4.23Å
471	Y	69.4	Low	67.3	Low	89 Å²	89	44.3 Å²	44.3	35%	0.349	22%	0.215	S	C	.	.	H	α-helix	trans	-60.9	-48.1	171	-91.1	-56	0	0	0	112.4	L424 T467 L469 F473 Q474 Q522	L424-Y471 WeakPolarHBondContact CB-OH 3.15Å; L424-Y471 HydrophobicContact CD1-CE2 4.03Å; L424-Y471 VanDerWaalsContact CD2-OH 3.28Å; L424-Y471 WeakPolarHBondContact CD2-OH 3.49Å; T467-Y471 HydrophobicContact CG2-CD2 3.74Å; T467-Y471 HydrophobicContact CG2-CE2 3.8Å; T467-Y471 WeakPolarHBondContact O-CB 3.19Å; T467-Y471 WeakPolarHBondContact O-CD2 3.4Å; T467-Y471 PolarHBondContact O-N 3.36Å; L469-Y471 VanDerWaalsContact C-N 3.32Å; L469-Y471 PolarHBondContact O-N 3.3Å; Y471-F473 PolarHBondContact O-N 3.14Å; Y471-Q474 WeakPolarHBondContact O-CA 3.29Å; Y471-Q474 PolarHBondContact O-N 2.95Å; Y471-Q522 PolarHBondContact O-NE2 3.39Å; Y471-Q522 PolarHBondContact O-OE1 3.23Å
472	R	80.1	Confident	67.3	Low	52 Å²	52	42.9 Å²	42.9	20%	0.196	21%	0.206	C	C	.	.	H	α-helix	trans	-63.1	-26.8	176.9	-71.7	178.8	87	-170.5	10.7	112.5	K468 L469 Q474 G521 Q522 F523	K468-R472 WeakPolarHBondContact O-CB 3.32Å; K468-R472 VanDerWaalsContact O-CG 3.29Å; K468-R472 WeakPolarHBondContact O-CG 3.3Å; K468-R472 PolarHBondContact O-N 2.77Å; L469-R472 PolarHBondContact O-N 3.41Å; R472-Q474 PolarHBondContact O-N 2.85Å; R472-G521 PolarHBondContact NE-O 3.48Å; R472-Q522 VanDerWaalsContact CA-OE1 3.25Å; R472-Q522 PolarHBondContact O-OE1 2.87Å; R472-F523 HydrophobicContact CB-CD1 4.44Å; R472-F523 HydrophobicContact CB-CD2 3.81Å; R472-F523 HydrophobicContact CB-CE1 4.3Å; R472-F523 HydrophobicContact CB-CE2 3.66Å; R472-F523 HydrophobicContact CB-CG 4.21Å; R472-F523 HydrophobicContact CB-CZ 3.92Å; R472-F523 VanDerWaalsContact O-CB 3.24Å; R472-F523 WeakPolarHBondContact O-CB 3.44Å; R472-F523 WeakPolarHBondContact O-CD2 3.39Å; R472-F523 WeakPolarHBondContact O-CG 3.48Å; R472-F523 PolarHBondContact O-N 3.44Å
473	F	78.6	Confident	67.7	Low	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	10.2	168.5	-82	-67.2	0	0	0	114	L469 Y470 Y471 C475 Q476 F477 V479 V506 W513 F523 I525	L469-F473 HydrophobicContact CD1-CD2 4.36Å; L469-F473 HydrophobicContact CD1-CE2 3.95Å; L469-F473 HydrophobicContact CD2-CE2 4.41Å; L469-F473 HydrophobicContact CG-CD2 3.99Å; L469-F473 HydrophobicContact CG-CE2 3.87Å; L469-F473 VanDerWaalsContact O-CD2 3.24Å; L469-F473 WeakPolarHBondContact O-CD2 3.45Å; L469-F473 PolarHBondContact O-N 3.36Å; Y470-F473 CarbonylContact O-C 3.52Å; Y470-F473 PolarHBondContact O-N 3.05Å; Y471-F473 PolarHBondContact O-N 3.14Å; F473-C475 PolarHBondContact O-N 3.47Å; F473-C475 VanDerWaalsContact O-N 3.12Å; F473-Q476 WeakPolarHBondContact O-CB 3.28Å; F473-Q476 PolarHBondContact O-N 3.26Å; F473-F477 HydrophobicContact CB-CB 3.84Å; F473-F477 HydrophobicContact CD1-CB 3.58Å; F473-F477 HydrophobicContact CD1-CD1 4.23Å; F473-F477 HydrophobicContact CD1-CG 4.19Å; F473-F477 HydrophobicContact CD2-CB 4.32Å; F473-F477 AromaticContact CD2-CD1 3.94Å; F473-F477 HydrophobicContact CD2-CD1 3.94Å; F473-F477 HydrophobicContact CE1-CB 4.21Å; F473-F477 HydrophobicContact CE1-CD1 4.2Å; F473-F477 HydrophobicContact CE1-CG 4.36Å; F473-F477 AromaticContact CE2-CD1 3.9Å; F473-F477 HydrophobicContact CE2-CD1 3.9Å; F473-F477 HydrophobicContact CG-CB 3.66Å; F473-F477 HydrophobicContact CG-CD1 4.13Å; F473-F477 HydrophobicContact CG-CG 4.34Å; F473-F477 HydrophobicContact CZ-CD1 4.05Å; F473-V479 HydrophobicContact CD2-CG2 3.83Å; F473-V479 HydrophobicContact CE2-CG2 4.41Å; F473-V506 HydrophobicContact CZ-CG2 4.46Å; F473-W513 AromaticContact CE1-CD2 3.68Å; F473-W513 HydrophobicContact CE1-CD2 3.68Å; F473-W513 AromaticContact CE1-CE2 3.62Å; F473-W513 HydrophobicContact CE1-CE3 4.04Å; F473-W513 HydrophobicContact CE1-CG 4.09Å; F473-W513 HydrophobicContact CE1-CH2 4.26Å; F473-W513 AromaticContact CE1-CZ2 3.92Å; F473-W513 HydrophobicContact CE1-CZ2 3.92Å; F473-W513 HydrophobicContact CE1-CZ3 4.33Å; F473-W513 AromaticContact CE1-NE1 3.99Å; F473-W513 HydrophobicContact CZ-CB 4.31Å; F473-W513 AromaticContact CZ-CD1 3.83Å; F473-W513 AromaticContact CZ-CD2 3.92Å; F473-W513 HydrophobicContact CZ-CD2 3.92Å; F473-W513 AromaticContact CZ-CE2 3.97Å; F473-W513 AromaticContact CZ-CG 3.81Å; F473-W513 HydrophobicContact CZ-CG 3.81Å; F473-W513 AromaticContact CZ-NE1 3.89Å; F473-F523 AromaticContact CD1-CD2 3.75Å; F473-F523 HydrophobicContact CD1-CD2 3.75Å; F473-F523 HydrophobicContact CD1-CE2 4.45Å; F473-F523 HydrophobicContact CD2-CD2 4.02Å; F473-F523 AromaticContact CD2-CE2 3.98Å; F473-F523 HydrophobicContact CD2-CE2 3.98Å; F473-F523 AromaticContact CE1-CD2 3.78Å; F473-F523 HydrophobicContact CE1-CD2 3.78Å; F473-F523 HydrophobicContact CE1-CE2 4.27Å; F473-F523 HydrophobicContact CE2-CD2 4.05Å; F473-F523 AromaticContact CE2-CE2 3.79Å; F473-F523 HydrophobicContact CE2-CE2 3.79Å; F473-F523 AromaticContact CG-CD2 3.86Å; F473-F523 HydrophobicContact CG-CD2 3.86Å; F473-F523 HydrophobicContact CG-CE2 4.3Å; F473-F523 AromaticContact CZ-CD2 3.93Å; F473-F523 HydrophobicContact CZ-CD2 3.93Å; F473-F523 AromaticContact CZ-CE2 3.93Å; F473-F523 HydrophobicContact CZ-CE2 3.93Å; F473-I525 HydrophobicContact CD1-CD1 3.74Å; F473-I525 HydrophobicContact CE1-CD1 4.48Å
474	Q	69.3	Low	68.7	Low	78 Å²	78	40.4 Å²	40.4	36%	0.364	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.8	29.1	179.9	-56	-179.2	5.8	0	0	113.8	Y470 Y471 R472 Q476 Q522 F523	Y470-Q474 PolarHBondContact O-N 3.33Å; Y471-Q474 WeakPolarHBondContact O-CA 3.29Å; Y471-Q474 PolarHBondContact O-N 2.95Å; R472-Q474 PolarHBondContact O-N 2.85Å; Q474-Q476 HydrophobicContact CB-CG 4.23Å; Q474-Q476 PolarHBondContact O-N 3.04Å; Q474-Q522 HydrophobicContact CG-CB 4.38Å; Q474-F523 PolarHBondContact NE2-O 3.49Å
475	C	62.4	Low	69.5	Low	9 Å²	9	39.1 Å²	39.1	6%	0.061	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	6.5	-168.5	-51.1	0	0	0	0	115.4	R425 Y470 F473	R425-C475 HydrophobicContact CG-CB 4.38Å; Y470-C475 HydrophobicContact CE1-CB 3.78Å; Y470-C475 WeakPolarHBondContact CE1-SG 3.5Å; Y470-C475 HydrophobicContact CE2-CB 4.41Å; Y470-C475 PolarHBondContact O-N 3.3Å; Y470-C475 VanDerWaalsContact O-N 3.16Å; F473-C475 PolarHBondContact O-N 3.47Å; F473-C475 VanDerWaalsContact O-N 3.12Å
476	Q	59.6	Low	70.2	Confident	71 Å²	71	36.7 Å²	36.7	33%	0.332	18%	0.181	S	C	.	.			trans	-87.1	-10.6	-176.9	-63.2	174.1	29.1	0	0	113.9	S225 F473 Q474 I525	S225-Q476 WeakPolarHBondContact OG-CA 3.23Å; S225-Q476 PolarHBondContact OG-O 2.93Å; S225-Q476 VanDerWaalsContact OG-O 3.04Å; F473-Q476 WeakPolarHBondContact O-CB 3.28Å; F473-Q476 PolarHBondContact O-N 3.26Å; Q474-Q476 HydrophobicContact CB-CG 4.23Å; Q474-Q476 PolarHBondContact O-N 3.04Å; Q476-I525 HydrophobicContact CB-CG1 4.41Å
477	F	73.1	Confident	71.1	Confident	10 Å²	10	37.9 Å²	37.9	4%	0.044	19%	0.187	C	C	.	.	S	Bend	trans	-118.7	132.6	173.4	-179.6	-113.8	0	0	0	111	F473 V479 F508 W513	F473-F477 HydrophobicContact CB-CB 3.84Å; F473-F477 HydrophobicContact CD1-CB 3.58Å; F473-F477 HydrophobicContact CD1-CD1 4.23Å; F473-F477 HydrophobicContact CD1-CG 4.19Å; F473-F477 HydrophobicContact CD2-CB 4.32Å; F473-F477 AromaticContact CD2-CD1 3.94Å; F473-F477 HydrophobicContact CD2-CD1 3.94Å; F473-F477 HydrophobicContact CE1-CB 4.21Å; F473-F477 HydrophobicContact CE1-CD1 4.2Å; F473-F477 HydrophobicContact CE1-CG 4.36Å; F473-F477 AromaticContact CE2-CD1 3.9Å; F473-F477 HydrophobicContact CE2-CD1 3.9Å; F473-F477 HydrophobicContact CG-CB 3.66Å; F473-F477 HydrophobicContact CG-CD1 4.13Å; F473-F477 HydrophobicContact CG-CG 4.34Å; F473-F477 HydrophobicContact CZ-CD1 4.05Å; F477-V479 VanDerWaalsContact C-N 3.34Å; F477-V479 HydrophobicContact CD1-CG2 4.01Å; F477-V479 PolarHBondContact O-N 2.85Å; F477-F508 HydrophobicContact CE1-CD2 4.34Å; F477-F508 AromaticContact CE1-CE2 3.61Å; F477-F508 HydrophobicContact CE1-CE2 3.61Å; F477-F508 AromaticContact CE1-CZ 3.79Å; F477-F508 HydrophobicContact CE1-CZ 3.79Å; F477-F508 HydrophobicContact CZ-CE2 4.3Å; F477-W513 HydrophobicContact CB-CZ2 4.3Å; F477-W513 AromaticContact CD1-NE1 3.69Å; F477-W513 AromaticContact CD2-CZ2 3.64Å; F477-W513 HydrophobicContact CD2-CZ2 3.64Å; F477-W513 AromaticContact CD2-NE1 3.77Å; F477-W513 AromaticContact CE1-NE1 3.4Å; F477-W513 HydrophobicContact CE2-CZ2 4.07Å; F477-W513 AromaticContact CE2-NE1 3.48Å; F477-W513 AromaticContact CG-CZ2 3.9Å; F477-W513 HydrophobicContact CG-CZ2 3.9Å; F477-W513 AromaticContact CG-NE1 3.87Å; F477-W513 AromaticContact CZ-NE1 3.28Å; F477-W513 VanDerWaalsContact CZ-NE1 3.28Å
478	N	69.5	Low	72.2	Confident	43 Å²	43	40.4 Å²	40.4	23%	0.23	20%	0.195	C	C	.	.			trans	-76.3	84.2	176.8	-169.5	31.9	0	0	0	111.4	R418 L480 E481 R484	R418-N478 PolarHBondContact NH1-OD1 3.37Å; N478-L480 PolarHBondContact ND2-O 3.19Å; N478-L480 PolarHBondContact O-N 3.35Å; N478-L480 PolarHBondContact OD1-O 2.87Å; N478-E481 WeakPolarHBondContact ND2-CA 3.24Å; N478-E481 WeakPolarHBondContact ND2-CB 3.49Å; N478-R484 PolarHBondContact O-NH1 2.83Å
479	V	69.9	Low	73	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.024	18%	0.182	C	C	.	.	S	Bend	trans	-57.6	-33.3	172.4	175.7	0	0	0	0	111.2	L466 L469 Y470 F473 F477 F508	L466-V479 HydrophobicContact CD2-CG1 3.92Å; L469-V479 HydrophobicContact CD2-CG1 3.98Å; L469-V479 HydrophobicContact CD2-CG2 4.25Å; L469-V479 HydrophobicContact CG-CG2 4.28Å; Y470-V479 HydrophobicContact CD2-CB 4.35Å; Y470-V479 HydrophobicContact CD2-CG2 4.23Å; F473-V479 HydrophobicContact CD2-CG2 3.83Å; F473-V479 HydrophobicContact CE2-CG2 4.41Å; F477-V479 VanDerWaalsContact C-N 3.34Å; F477-V479 HydrophobicContact CD1-CG2 4.01Å; F477-V479 PolarHBondContact O-N 2.85Å; V479-F508 HydrophobicContact CG1-CE1 4.33Å
480	L	65.9	Low	73.6	Confident	14 Å²	14	38.1 Å²	38.1	7%	0.073	19%	0.188	C	C	.	.	S	Bend	trans	-100.7	74.9	-179.6	-56.5	-176	0	0	0	111.4	Q414 M417 R418 L421 L466 N478	Q414-L480 HydrophobicContact CB-CB 4.11Å; Q414-L480 HydrophobicContact CG-CB 4.14Å; Q414-L480 WeakPolarHBondContact O-CD1 3.28Å; M417-L480 HydrophobicContact CB-CD1 3.8Å; R418-L480 HydrophobicContact CB-CD1 4.27Å; L421-L480 HydrophobicContact CD1-CD1 3.61Å; L421-L480 HydrophobicContact CD1-CG 4.26Å; L466-L480 HydrophobicContact CD1-CD2 4.34Å; N478-L480 PolarHBondContact ND2-O 3.19Å; N478-L480 PolarHBondContact O-N 3.35Å; N478-L480 PolarHBondContact OD1-O 2.87Å
481	E	66.9	Low	74.6	Confident	74 Å²	74	44.1 Å²	44.1	35%	0.346	22%	0.216	S	C	.	.			trans	-112.8	137.7	174.6	-163.6	171.1	121.8	0	0	110.9	Q414 N478 G483 R484	Q414-E481 VanDerWaalsContact NE2-C 3.27Å; Q414-E481 PolarHBondContact NE2-O 3.5Å; Q414-E481 PolarHBondContact OE1-O 3.01Å; N478-E481 WeakPolarHBondContact ND2-CA 3.24Å; N478-E481 WeakPolarHBondContact ND2-CB 3.49Å; E481-G483 PolarHBondContact O-N 3.49Å; E481-R484 HydrophobicContact CB-CB 4.02Å; E481-R484 VanDerWaalsContact CB-NH1 3.28Å; E481-R484 VanDerWaalsContact CD-NH1 3.28Å; E481-R484 WeakPolarHBondContact O-CA 3.19Å; E481-R484 WeakPolarHBondContact O-CB 3.5Å; E481-R484 PolarHBondContact O-N 3.44Å; E481-R484 IonicContact OE1-CZ 2.86Å; E481-R484 IonicContact OE1-NH1 3.44Å; E481-R484 IonicContact OE1-NH2 3.03Å; E481-R484 PolarHBondContact OE1-NH2 3.15Å; E481-R484 IonicContact OE2-CZ 2.97Å; E481-R484 IonicContact OE2-NH1 3.85Å; E481-R484 PolarHBondContact OE2-NH1 2.74Å; E481-R484 IonicContact OE2-NH2 2.71Å; E481-R484 PolarHBondContact OE2-NH2 3.5Å; E481-R484 VanDerWaalsContact OE2-NH2 3.11Å
482	P	55.8	Low	75.7	Confident	29 Å²	29	40.2 Å²	40.2	19%	0.188	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	130.1	-173.2	-30.6	37.9	0	0	0	113.3	Q407 Q408 Q411 R484	Q407-P482 WeakPolarHBondContact O-CB 3.34Å; Q408-P482 VanDerWaalsContact NE2-CB 3.26Å; Q411-P482 HydrophobicContact CB-CG 4.34Å; P482-R484 PolarHBondContact O-N 3.41Å
483	G	62.6	Low	76.2	Confident	17 Å²	17	41.2 Å²	41.2	18%	0.175	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	-4.2	-171.6	0	0	0	0	0	115.9	Q407 D410 E481 T509	Q407-G483 PolarHBondContact O-N 3.4Å; D410-G483 VanDerWaalsContact OD2-CA 3.26Å; D410-G483 WeakPolarHBondContact OD2-CA 3.48Å; D410-G483 PolarHBondContact OD2-N 3.05Å; E481-G483 PolarHBondContact O-N 3.49Å; G483-T509 PolarHBondContact O-OG1 3.4Å
484	R	76.1	Confident	76.8	Confident	11 Å²	11	42.5 Å²	42.5	4%	0.042	22%	0.215	C	C	.	.			trans	-85.2	119	169.4	-171.6	171.2	-67.6	128.2	17.8	109.8	N478 E481 P482 F508 T509 D510	N478-R484 PolarHBondContact O-NH1 2.83Å; E481-R484 HydrophobicContact CB-CB 4.02Å; E481-R484 VanDerWaalsContact CB-NH1 3.28Å; E481-R484 VanDerWaalsContact CD-NH1 3.28Å; E481-R484 WeakPolarHBondContact O-CA 3.19Å; E481-R484 WeakPolarHBondContact O-CB 3.5Å; E481-R484 PolarHBondContact O-N 3.44Å; E481-R484 IonicContact OE1-CZ 2.86Å; E481-R484 IonicContact OE1-NH1 3.44Å; E481-R484 IonicContact OE1-NH2 3.03Å; E481-R484 PolarHBondContact OE1-NH2 3.15Å; E481-R484 IonicContact OE2-CZ 2.97Å; E481-R484 IonicContact OE2-NH1 3.85Å; E481-R484 PolarHBondContact OE2-NH1 2.74Å; E481-R484 IonicContact OE2-NH2 2.71Å; E481-R484 PolarHBondContact OE2-NH2 3.5Å; E481-R484 VanDerWaalsContact OE2-NH2 3.11Å; P482-R484 PolarHBondContact O-N 3.41Å; R484-F508 HydrophobicContact CG-CB 3.85Å; R484-F508 HydrophobicContact CG-CD1 3.45Å; R484-F508 VanDerWaalsContact CG-CD1 3.45Å; R484-F508 HydrophobicContact CG-CE1 4.14Å; R484-F508 HydrophobicContact CG-CG 3.81Å; R484-T509 WeakPolarHBondContact CA-OG1 3.03Å; R484-D510 IonicContact CZ-OD1 2.92Å; R484-D510 IonicContact CZ-OD2 3.8Å; R484-D510 IonicContact NE-OD1 2.85Å; R484-D510 PolarHBondContact NE-OD1 3.33Å; R484-D510 IonicContact NE-OD2 2.73Å; R484-D510 PolarHBondContact NE-OD2 2.85Å; R484-D510 IonicContact NH2-OD1 3.26Å; R484-D510 IonicContact NH2-OD2 3.69Å; R484-D510 PolarHBondContact NH2-OD2 3.31Å
485	V	76.6	Confident	77.8	Confident	74 Å²	74	42.4 Å²	42.4	45%	0.448	22%	0.215	S	C	.	.			trans	-127.5	138.9	173.9	-175.1	0	0	0	0	108.4	F508 T509	V485-F508 CarbonylContact O-C 3.56Å; V485-F508 VanDerWaalsContact O-CA 3.24Å; V485-F508 WeakPolarHBondContact O-CA 3.34Å; V485-T509 HydrophobicContact CB-CG2 3.92Å; V485-T509 HydrophobicContact CG2-CG2 4.49Å; V485-T509 PolarHBondContact N-OG1 3.28Å; V485-T509 PolarHBondContact O-N 3.01Å; V485-T509 VanDerWaalsContact O-N 3.1Å
486	L	83.6	Confident	78.8	Confident	26 Å²	26	43.6 Å²	43.6	14%	0.136	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	125.9	172.2	178.9	65.4	0	0	0	109.1	L466 L469 V506 F508	L466-L486 HydrophobicContact CD2-CB 4.09Å; L466-L486 HydrophobicContact CD2-CD2 4.13Å; L469-L486 HydrophobicContact CD2-CD1 4.23Å; L469-L486 HydrophobicContact CD2-CD2 4.29Å; L486-V506 HydrophobicContact CD1-CG1 3.51Å; L486-F508 HydrophobicContact CB-CD1 4.38Å; L486-F508 HydrophobicContact CB-CE1 4.29Å; L486-F508 HydrophobicContact CD1-CE1 4.26Å
487	I	84.8	Confident	79.6	Confident	57 Å²	57	52.5 Å²	52.5	29%	0.292	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-48.4	179.8	-58	-179.9	0	0	0	110.3	L507 T509 D575 A579	I487-L507 HydrophobicContact CB-CB 4.46Å; I487-L507 HydrophobicContact CB-CD2 4.13Å; I487-L507 HydrophobicContact CB-CG 4.03Å; I487-L507 HydrophobicContact CD1-CD2 4.5Å; I487-L507 HydrophobicContact CD1-CG 4.29Å; I487-L507 HydrophobicContact CG2-CD2 4.03Å; I487-L507 HydrophobicContact CG2-CG 4.48Å; I487-L507 PolarHBondContact N-O 3.45Å; I487-T509 HydrophobicContact CD1-CG2 3.95Å; I487-T509 HydrophobicContact CG1-CG2 4.2Å; I487-D575 HydrophobicContact CG2-CB 4Å; I487-A579 HydrophobicContact CD1-CB 3.62Å
488	R	88.1	Confident	79.9	Confident	65 Å²	65	61 Å²	61	25%	0.245	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	150.6	-179.2	-169.7	173.4	-68.9	-104.7	-1	111.6	L507 W572 D575	R488-L507 PolarHBondContact N-O 2.85Å; R488-L507 PolarHBondContact O-N 3.11Å; R488-W572 HydrophobicContact CB-CH2 4.15Å; R488-W572 HydrophobicContact CB-CZ2 4.24Å; R488-W572 HydrophobicContact CB-CZ3 4.5Å; R488-W572 HydrophobicContact CG-CD2 4.4Å; R488-W572 HydrophobicContact CG-CH2 4.07Å; R488-W572 HydrophobicContact CG-CZ2 3.64Å; R488-D575 IonicContact CZ-OD2 3.93Å; R488-D575 IonicContact NE-OD2 2.82Å; R488-D575 PolarHBondContact NE-OD2 2.88Å; R488-D575 IonicContact NH2-OD2 3.64Å; R488-D575 PolarHBondContact NH2-OD2 2.81Å
489	Q	91.1	Very high	80.7	Confident	49 Å²	49	64 Å²	64	23%	0.229	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	143.6	166.7	59.2	-176.3	-8.3	0	0	110.3	Y504 L505	Q489-Y504 HydrophobicContact CB-CE1 3.8Å; Q489-Y504 HydrophobicContact CG-CE1 4.41Å; Q489-Y504 PolarHBondContact OE1-OH 2.84Å; Q489-L505 VanDerWaalsContact CA-O 3.23Å; Q489-L505 WeakPolarHBondContact CA-O 3.29Å; Q489-L505 WeakPolarHBondContact CB-O 3.32Å
490	S	90.5	Very high	81.6	Confident	22 Å²	22	67.8 Å²	67.8	15%	0.154	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	166.4	171.7	74.7	0	0	0	0	112.2	L505 E568 W572	S490-L505 PolarHBondContact N-O 3.23Å; S490-L505 PolarHBondContact O-N 3.29Å; S490-E568 VanDerWaalsContact CB-OE1 3.29Å; S490-E568 WeakPolarHBondContact CB-OE1 3.18Å; S490-E568 PolarHBondContact OG-OE1 2.84Å; S490-W572 WeakPolarHBondContact OG-CZ2 3.3Å; S490-W572 PolarHBondContact OG-NE1 2.82Å
491	E	91.9	Very high	82.8	Confident	132 Å²	132	68.9 Å²	68.9	62%	0.617	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.4	172.5	-74.9	-179.6	-178.2	0	0	110.3	Y504	E491-Y504 HydrophobicContact CG-CD2 3.31Å; E491-Y504 HydrophobicContact CG-CE2 3.55Å; E491-Y504 HydrophobicContact CG-CG 4.41Å; E491-Y504 WeakPolarHBondContact OE1-CD2 3.45Å; E491-Y504 WeakPolarHBondContact OE1-CE2 3.29Å
492	V	93.4	Very high	83.9	Confident	7 Å²	7	69.6 Å²	69.6	4%	0.042	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	156.8	-172.5	-53.3	0	0	0	0	110.8	R503 L505 I561 F563	V492-R503 HydrophobicContact CG2-CB 4.12Å; V492-R503 PolarHBondContact N-O 2.65Å; V492-R503 PolarHBondContact O-N 2.89Å; V492-R503 VanDerWaalsContact O-O 3.12Å; V492-L505 HydrophobicContact CB-CG 4.5Å; V492-L505 HydrophobicContact CG1-CD1 3.87Å; V492-L505 HydrophobicContact CG1-CG 3.93Å; V492-L505 HydrophobicContact CG2-CD1 4.16Å; V492-L505 HydrophobicContact CG2-CD2 4.11Å; V492-L505 HydrophobicContact CG2-CG 3.7Å; V492-I561 HydrophobicContact CB-CG2 3.71Å; V492-I561 HydrophobicContact CG1-CG2 4.05Å; V492-I561 HydrophobicContact CG2-CD1 4.34Å; V492-I561 HydrophobicContact CG2-CG2 3.67Å; V492-F563 HydrophobicContact CG1-CD1 3.62Å; V492-F563 HydrophobicContact CG1-CE1 3.54Å
493	M	91.1	Very high	85.7	Confident	74 Å²	74	69.5 Å²	69.5	37%	0.365	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	129.6	169.2	-64.5	-60.9	-84.5	0	0	109.5	L500 P502 I562	M493-L500 HydrophobicContact CE-CB 3.83Å; M493-P502 HydrophobicContact SD-CB 3.95Å; M493-I562 HydrophobicContact CB-CB 4.37Å; M493-I562 PolarHBondContact N-O 3.47Å; M493-I562 PolarHBondContact O-N 2.62Å
494	K	91.1	Very high	87.1	Confident	27 Å²	27	70 Å²	70	12%	0.117	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	124.9	174.7	-176.6	-168.1	175.7	-60.2	0	109.5	T496 Q501 R503 Y529 A559 I561	K494-T496 PolarHBondContact O-N 2.98Å; K494-Q501 PolarHBondContact N-O 2.97Å; K494-Q501 PolarHBondContact O-N 2.92Å; K494-R503 HydrophobicContact CB-CB 4.44Å; K494-R503 HydrophobicContact CB-CG 3.74Å; K494-R503 HydrophobicContact CD-CG 4.26Å; K494-Y529 WeakPolarHBondContact CE-OH 3.36Å; K494-A559 HydrophobicContact CD-CB 4.35Å; K494-A559 HydrophobicContact CG-CB 4.47Å; K494-I561 HydrophobicContact CB-CD1 4.15Å; K494-I561 HydrophobicContact CG-CD1 4.04Å
495	Q	89.6	Confident	88	Confident	75 Å²	75	69.5 Å²	69.5	35%	0.35	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	132.2	168.1	-174.1	63.4	52.2	0	0	110.4	L500 L560	Q495-L500 HydrophobicContact CB-CD2 4.35Å; Q495-L560 HydrophobicContact CB-CB 4.11Å; Q495-L560 HydrophobicContact CB-CD2 4.22Å; Q495-L560 PolarHBondContact N-O 2.84Å; Q495-L560 VanDerWaalsContact N-O 3.1Å
496	T	82.9	Confident	88.7	Confident	34 Å²	34	66 Å²	66	21%	0.209	31%	0.307	C	S	.	.			trans	-115.2	-177.8	170	77.4	0	0	0	0	110.6	K494 K498 E499 Q501	K494-T496 PolarHBondContact O-N 2.98Å; T496-K498 PolarHBondContact O-N 3.44Å; T496-K498 PolarHBondContact OG1-N 3.16Å; T496-E499 WeakPolarHBondContact CB-O 3.36Å; T496-E499 PolarHBondContact N-O 3.33Å; T496-E499 PolarHBondContact OG1-N 3.13Å; T496-E499 PolarHBondContact OG1-O 3.04Å; T496-Q501 HydrophobicContact CG2-CB 4.23Å; T496-Q501 HydrophobicContact CG2-CG 3.83Å
497	R	76.3	Confident	89.1	Confident	259 Å²	259	64.8 Å²	64.8	98%	0.977	30%	0.301	S	S	*	.	S	Bend	trans	-68.3	-16.8	175.5	-69	-178.6	177.7	164.6	-3	113.8
498	K	79	Confident	89.3	Confident	189 Å²	189	62.1 Å²	62.1	82%	0.822	29%	0.287	S	S	*	.	S	Bend	trans	-119.1	-41.3	-175.3	-63.9	-174.7	178.3	-179	0	112.6	T496	T496-K498 PolarHBondContact O-N 3.44Å; T496-K498 PolarHBondContact OG1-N 3.16Å
499	E	87.5	Confident	89	Confident	104 Å²	104	61 Å²	61	49%	0.486	29%	0.288	S	S	.	.	S	Bend	trans	-154.3	170	-168.3	67.8	-167.9	179.4	0	0	112.7	T496 Q501	T496-E499 WeakPolarHBondContact CB-O 3.36Å; T496-E499 PolarHBondContact N-O 3.33Å; T496-E499 PolarHBondContact OG1-N 3.13Å; T496-E499 PolarHBondContact OG1-O 3.04Å; E499-Q501 HydrophobicContact CG-CG 3.72Å; E499-Q501 WeakPolarHBondContact OE1-CG 3.46Å; E499-Q501 PolarHBondContact OE1-NE2 3.39Å
500	L	89.6	Confident	88.4	Confident	84 Å²	84	59.3 Å²	59.3	44%	0.44	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	132.4	162.4	-64.9	176.6	0	0	0	109.6	M493 Q495 I562	M493-L500 HydrophobicContact CE-CB 3.83Å; Q495-L500 HydrophobicContact CB-CD2 4.35Å; L500-I562 HydrophobicContact CD2-CD1 3.55Å
501	Q	89.4	Confident	88.3	Confident	37 Å²	37	59.8 Å²	59.8	17%	0.173	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	138.9	174	-62.9	-172.1	-9.6	0	0	112	K494 T496 E499 R503	K494-Q501 PolarHBondContact N-O 2.97Å; K494-Q501 PolarHBondContact O-N 2.92Å; T496-Q501 HydrophobicContact CG2-CB 4.23Å; T496-Q501 HydrophobicContact CG2-CG 3.83Å; E499-Q501 HydrophobicContact CG-CG 3.72Å; E499-Q501 WeakPolarHBondContact OE1-CG 3.46Å; E499-Q501 PolarHBondContact OE1-NE2 3.39Å; Q501-R503 VanDerWaalsContact CB-NH1 3.26Å; Q501-R503 VanDerWaalsContact OE1-NH1 3.08Å
502	P	90.8	Very high	88.3	Confident	90 Å²	90	53.5 Å²	53.5	58%	0.584	25%	0.25	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-65	142.9	175.9	27	-34.6	0	0	0	111.8	M493	M493-P502 HydrophobicContact SD-CB 3.95Å
503	R	93.1	Very high	88.2	Confident	26 Å²	26	53.7 Å²	53.7	10%	0.098	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	154.4	175.3	-69.8	-62	-177.1	-77	-2.2	109.9	V492 K494 Q501 I514 C515	V492-R503 HydrophobicContact CG2-CB 4.12Å; V492-R503 PolarHBondContact N-O 2.65Å; V492-R503 PolarHBondContact O-N 2.89Å; V492-R503 VanDerWaalsContact O-O 3.12Å; K494-R503 HydrophobicContact CB-CB 4.44Å; K494-R503 HydrophobicContact CB-CG 3.74Å; K494-R503 HydrophobicContact CD-CG 4.26Å; Q501-R503 VanDerWaalsContact CB-NH1 3.26Å; Q501-R503 VanDerWaalsContact OE1-NH1 3.08Å; R503-I514 HydrophobicContact CB-CG2 4.34Å; R503-I514 HydrophobicContact CG-CG2 4.3Å; R503-C515 WeakPolarHBondContact CA-O 3.45Å; R503-C515 WeakPolarHBondContact CD-O 3.23Å
504	Y	93.1	Very high	88.3	Confident	28 Å²	28	50.2 Å²	50.2	11%	0.11	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.9	173.7	-157.5	-86.8	0	0	0	108.3	Q489 E491 V506 C515 F523	Q489-Y504 HydrophobicContact CB-CE1 3.8Å; Q489-Y504 HydrophobicContact CG-CE1 4.41Å; Q489-Y504 PolarHBondContact OE1-OH 2.84Å; E491-Y504 HydrophobicContact CG-CD2 3.31Å; E491-Y504 HydrophobicContact CG-CE2 3.55Å; E491-Y504 HydrophobicContact CG-CG 4.41Å; E491-Y504 WeakPolarHBondContact OE1-CD2 3.45Å; E491-Y504 WeakPolarHBondContact OE1-CE2 3.29Å; Y504-V506 HydrophobicContact CD1-CG2 3.74Å; Y504-V506 HydrophobicContact CE1-CG2 4.03Å; Y504-C515 PolarHBondContact N-O 2.72Å; Y504-C515 WeakPolarHBondContact O-CB 3.35Å; Y504-C515 PolarHBondContact O-N 2.78Å; Y504-F523 AromaticContact CD1-CE1 3.77Å; Y504-F523 HydrophobicContact CD1-CE1 3.77Å; Y504-F523 AromaticContact CD1-CZ 3.53Å; Y504-F523 HydrophobicContact CD1-CZ 3.53Å; Y504-F523 HydrophobicContact CE1-CZ 4.07Å; Y504-F523 AromaticContact CG-CE1 3.76Å; Y504-F523 HydrophobicContact CG-CE1 3.76Å; Y504-F523 HydrophobicContact CG-CZ 4.02Å
505	L	94.1	Very high	88.3	Confident	1 Å²	1	48.9 Å²	48.9	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	142.3	173.8	-64.5	-169.9	0	0	0	110.6	Q489 S490 V492 L512 I514 I561 F563 W572	Q489-L505 VanDerWaalsContact CA-O 3.23Å; Q489-L505 WeakPolarHBondContact CA-O 3.29Å; Q489-L505 WeakPolarHBondContact CB-O 3.32Å; S490-L505 PolarHBondContact N-O 3.23Å; S490-L505 PolarHBondContact O-N 3.29Å; V492-L505 HydrophobicContact CB-CG 4.5Å; V492-L505 HydrophobicContact CG1-CD1 3.87Å; V492-L505 HydrophobicContact CG1-CG 3.93Å; V492-L505 HydrophobicContact CG2-CD1 4.16Å; V492-L505 HydrophobicContact CG2-CD2 4.11Å; V492-L505 HydrophobicContact CG2-CG 3.7Å; L505-L512 HydrophobicContact CB-CD1 4.49Å; L505-I514 HydrophobicContact CD2-CB 4.18Å; L505-I514 HydrophobicContact CD2-CD1 4.45Å; L505-I514 HydrophobicContact CD2-CG1 3.81Å; L505-I514 HydrophobicContact CD2-CG2 4.03Å; L505-I561 HydrophobicContact CD1-CG2 4.26Å; L505-I561 HydrophobicContact CD2-CD1 4.48Å; L505-F563 HydrophobicContact CD1-CE1 4.01Å; L505-F563 HydrophobicContact CD1-CZ 4.15Å; L505-W572 HydrophobicContact CB-CH2 3.31Å; L505-W572 HydrophobicContact CB-CZ2 3.73Å; L505-W572 HydrophobicContact CB-CZ3 3.97Å; L505-W572 HydrophobicContact CD1-CD2 4.34Å; L505-W572 HydrophobicContact CD1-CE3 4.12Å; L505-W572 HydrophobicContact CD1-CH2 3.87Å; L505-W572 HydrophobicContact CD1-CZ2 4.04Å; L505-W572 HydrophobicContact CD1-CZ3 3.86Å; L505-W572 HydrophobicContact CG-CH2 4.25Å; L505-W572 HydrophobicContact CG-CZ2 4.5Å
506	V	92.1	Very high	88.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	108.1	172.5	-167.5	0	0	0	0	108.5	L469 F473 L486 Y504 F508 W513 F523	L469-V506 HydrophobicContact CD1-CG1 3.93Å; L469-V506 HydrophobicContact CD1-CG2 3.92Å; L469-V506 HydrophobicContact CD2-CG1 3.9Å; L469-V506 HydrophobicContact CG-CG1 4.5Å; F473-V506 HydrophobicContact CZ-CG2 4.46Å; L486-V506 HydrophobicContact CD1-CG1 3.51Å; Y504-V506 HydrophobicContact CD1-CG2 3.74Å; Y504-V506 HydrophobicContact CE1-CG2 4.03Å; V506-F508 HydrophobicContact CB-CE2 4.25Å; V506-F508 HydrophobicContact CG1-CD2 4.17Å; V506-F508 HydrophobicContact CG1-CE1 4.48Å; V506-F508 HydrophobicContact CG1-CE2 3.49Å; V506-F508 VanDerWaalsContact CG1-CE2 3.49Å; V506-F508 HydrophobicContact CG1-CZ 3.7Å; V506-W513 HydrophobicContact CB-CB 4.13Å; V506-W513 PolarHBondContact N-O 2.83Å; V506-W513 VanDerWaalsContact N-O 3.1Å; V506-W513 PolarHBondContact O-N 3.4Å; V506-F523 HydrophobicContact CG2-CE2 4.38Å; V506-F523 HydrophobicContact CG2-CZ 4.29Å
507	L	91.4	Very high	88.4	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.4	178.2	179.6	59.5	0	0	0	110.6	I487 R488 L512 L533 W572 D575 L576	I487-L507 HydrophobicContact CB-CB 4.46Å; I487-L507 HydrophobicContact CB-CD2 4.13Å; I487-L507 HydrophobicContact CB-CG 4.03Å; I487-L507 HydrophobicContact CD1-CD2 4.5Å; I487-L507 HydrophobicContact CD1-CG 4.29Å; I487-L507 HydrophobicContact CG2-CD2 4.03Å; I487-L507 HydrophobicContact CG2-CG 4.48Å; I487-L507 PolarHBondContact N-O 3.45Å; R488-L507 PolarHBondContact N-O 2.85Å; R488-L507 PolarHBondContact O-N 3.11Å; L507-L512 HydrophobicContact CB-CD1 4.11Å; L507-L512 HydrophobicContact CD1-CB 4.17Å; L507-L512 HydrophobicContact CD1-CD1 4.28Å; L507-L533 HydrophobicContact CD1-CD1 4.11Å; L507-L533 HydrophobicContact CD1-CD2 3.92Å; L507-W572 HydrophobicContact CB-CH2 4.26Å; L507-W572 HydrophobicContact CB-CZ3 3.78Å; L507-W572 HydrophobicContact CD2-CZ3 4.42Å; L507-D575 HydrophobicContact CD2-CB 4.1Å; L507-L576 HydrophobicContact CD1-CD2 3.62Å; L507-L576 HydrophobicContact CD2-CD2 3.94Å; L507-L576 HydrophobicContact CD2-CG 4.16Å; L507-L576 HydrophobicContact CG-CD2 4.42Å
508	F	88.4	Confident	88.8	Confident	1 Å²	1	39.4 Å²	39.4	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	168.9	168	-62.1	-82.8	0	0	0	111.3	L469 F477 V479 R484 V485 L486 V506 D510 Y511 W513 L533	L469-F508 HydrophobicContact CD2-CE1 4.16Å; L469-F508 HydrophobicContact CD2-CZ 3.74Å; F477-F508 HydrophobicContact CE1-CD2 4.34Å; F477-F508 AromaticContact CE1-CE2 3.61Å; F477-F508 HydrophobicContact CE1-CE2 3.61Å; F477-F508 AromaticContact CE1-CZ 3.79Å; F477-F508 HydrophobicContact CE1-CZ 3.79Å; F477-F508 HydrophobicContact CZ-CE2 4.3Å; V479-F508 HydrophobicContact CG1-CE1 4.33Å; R484-F508 HydrophobicContact CG-CB 3.85Å; R484-F508 HydrophobicContact CG-CD1 3.45Å; R484-F508 VanDerWaalsContact CG-CD1 3.45Å; R484-F508 HydrophobicContact CG-CE1 4.14Å; R484-F508 HydrophobicContact CG-CG 3.81Å; V485-F508 CarbonylContact O-C 3.56Å; V485-F508 VanDerWaalsContact O-CA 3.24Å; V485-F508 WeakPolarHBondContact O-CA 3.34Å; L486-F508 HydrophobicContact CB-CD1 4.38Å; L486-F508 HydrophobicContact CB-CE1 4.29Å; L486-F508 HydrophobicContact CD1-CE1 4.26Å; V506-F508 HydrophobicContact CB-CE2 4.25Å; V506-F508 HydrophobicContact CG1-CD2 4.17Å; V506-F508 HydrophobicContact CG1-CE1 4.48Å; V506-F508 HydrophobicContact CG1-CE2 3.49Å; V506-F508 VanDerWaalsContact CG1-CE2 3.49Å; V506-F508 HydrophobicContact CG1-CZ 3.7Å; F508-D510 WeakPolarHBondContact CB-OD1 3.43Å; F508-D510 PolarHBondContact O-N 2.98Å; F508-Y511 WeakPolarHBondContact CB-O 3.36Å; F508-Y511 PolarHBondContact N-O 3.41Å; F508-W513 AromaticContact CE2-CD1 3.79Å; F508-L533 WeakPolarHBondContact O-CD1 2.99Å
509	T	82.8	Confident	88.6	Confident	43 Å²	43	37 Å²	37	26%	0.264	20%	0.202	S	C	.	.	S	Bend	trans	-59.7	-7.6	172.1	46.3	0	0	0	0	115.6	G483 R484 V485 I487	G483-T509 PolarHBondContact O-OG1 3.4Å; R484-T509 WeakPolarHBondContact CA-OG1 3.03Å; V485-T509 HydrophobicContact CB-CG2 3.92Å; V485-T509 HydrophobicContact CG2-CG2 4.49Å; V485-T509 PolarHBondContact N-OG1 3.28Å; V485-T509 PolarHBondContact O-N 3.01Å; V485-T509 VanDerWaalsContact O-N 3.1Å; I487-T509 HydrophobicContact CD1-CG2 3.95Å; I487-T509 HydrophobicContact CG1-CG2 4.2Å
510	D	78.7	Confident	88	Confident	12 Å²	12	36.2 Å²	36.2	6%	0.064	21%	0.208	C	C	.	.	S	Bend	trans	-134.5	-33	-177.7	66.7	-21.2	0	0	0	115.2	R484 F508 L533	R484-D510 IonicContact CZ-OD1 2.92Å; R484-D510 IonicContact CZ-OD2 3.8Å; R484-D510 IonicContact NE-OD1 2.85Å; R484-D510 PolarHBondContact NE-OD1 3.33Å; R484-D510 IonicContact NE-OD2 2.73Å; R484-D510 PolarHBondContact NE-OD2 2.85Å; R484-D510 IonicContact NH2-OD1 3.26Å; R484-D510 IonicContact NH2-OD2 3.69Å; R484-D510 PolarHBondContact NH2-OD2 3.31Å; F508-D510 WeakPolarHBondContact CB-OD1 3.43Å; F508-D510 PolarHBondContact O-N 2.98Å; D510-L533 PolarHBondContact O-N 2.97Å
511	Y	88.8	Confident	87.5	Confident	33 Å²	33	33.7 Å²	33.7	13%	0.129	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	143	177.1	-65.1	-82.9	0	0	0	112.9	F508 R530 I531 P532	F508-Y511 WeakPolarHBondContact CB-O 3.36Å; F508-Y511 PolarHBondContact N-O 3.41Å; Y511-R530 HydrophobicContact CD1-CB 4.12Å; Y511-R530 HydrophobicContact CD1-CG 3.89Å; Y511-R530 HydrophobicContact CE1-CG 4.27Å; Y511-R530 HydrophobicContact CG-CB 4.46Å; Y511-R530 HydrophobicContact CG-CG 4.48Å; Y511-I531 WeakPolarHBondContact CA-O 3.45Å; Y511-P532 HydrophobicContact CD1-CB 4.14Å; Y511-P532 HydrophobicContact CD1-CG 4.28Å; Y511-P532 HydrophobicContact CE1-CB 3.92Å; Y511-P532 HydrophobicContact CE1-CG 3.91Å
512	L	91.5	Very high	87.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	120.6	156.6	175	64.1	0	0	0	109.2	L505 L507 I514 R530 I531 L533 M536 I552 W572 L576	L505-L512 HydrophobicContact CB-CD1 4.49Å; L507-L512 HydrophobicContact CB-CD1 4.11Å; L507-L512 HydrophobicContact CD1-CB 4.17Å; L507-L512 HydrophobicContact CD1-CD1 4.28Å; L512-I514 HydrophobicContact CG-CG1 4.42Å; L512-R530 CarbonylContact O-C 3.51Å; L512-R530 VanDerWaalsContact O-CA 3.32Å; L512-R530 WeakPolarHBondContact O-CA 3.49Å; L512-I531 PolarHBondContact N-O 3.49Å; L512-I531 PolarHBondContact O-N 3.08Å; L512-L533 HydrophobicContact CB-CD2 4.15Å; L512-M536 HydrophobicContact CB-SD 4.32Å; L512-M536 HydrophobicContact CD2-CE 3.75Å; L512-M536 HydrophobicContact CD2-SD 3.99Å; L512-I552 HydrophobicContact CD2-CD1 3.65Å; L512-W572 HydrophobicContact CD1-CZ3 3.96Å; L512-L576 HydrophobicContact CD2-CD2 4.39Å
513	W	91.9	Very high	86.9	Confident	11 Å²	11	30.1 Å²	30.1	4%	0.042	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	140.2	167.1	-85.8	97.5	0	0	0	111.3	F473 F477 V506 F508 R530	F473-W513 AromaticContact CE1-CD2 3.68Å; F473-W513 HydrophobicContact CE1-CD2 3.68Å; F473-W513 AromaticContact CE1-CE2 3.62Å; F473-W513 HydrophobicContact CE1-CE3 4.04Å; F473-W513 HydrophobicContact CE1-CG 4.09Å; F473-W513 HydrophobicContact CE1-CH2 4.26Å; F473-W513 AromaticContact CE1-CZ2 3.92Å; F473-W513 HydrophobicContact CE1-CZ2 3.92Å; F473-W513 HydrophobicContact CE1-CZ3 4.33Å; F473-W513 AromaticContact CE1-NE1 3.99Å; F473-W513 HydrophobicContact CZ-CB 4.31Å; F473-W513 AromaticContact CZ-CD1 3.83Å; F473-W513 AromaticContact CZ-CD2 3.92Å; F473-W513 HydrophobicContact CZ-CD2 3.92Å; F473-W513 AromaticContact CZ-CE2 3.97Å; F473-W513 AromaticContact CZ-CG 3.81Å; F473-W513 HydrophobicContact CZ-CG 3.81Å; F473-W513 AromaticContact CZ-NE1 3.89Å; F477-W513 HydrophobicContact CB-CZ2 4.3Å; F477-W513 AromaticContact CD1-NE1 3.69Å; F477-W513 AromaticContact CD2-CZ2 3.64Å; F477-W513 HydrophobicContact CD2-CZ2 3.64Å; F477-W513 AromaticContact CD2-NE1 3.77Å; F477-W513 AromaticContact CE1-NE1 3.4Å; F477-W513 HydrophobicContact CE2-CZ2 4.07Å; F477-W513 AromaticContact CE2-NE1 3.48Å; F477-W513 AromaticContact CG-CZ2 3.9Å; F477-W513 HydrophobicContact CG-CZ2 3.9Å; F477-W513 AromaticContact CG-NE1 3.87Å; F477-W513 AromaticContact CZ-NE1 3.28Å; F477-W513 VanDerWaalsContact CZ-NE1 3.28Å; V506-W513 HydrophobicContact CB-CB 4.13Å; V506-W513 PolarHBondContact N-O 2.83Å; V506-W513 VanDerWaalsContact N-O 3.1Å; V506-W513 PolarHBondContact O-N 3.4Å; F508-W513 AromaticContact CE2-CD1 3.79Å; W513-R530 HydrophobicContact CD2-CB 3.69Å; W513-R530 HydrophobicContact CE3-CB 4.07Å; W513-R530 HydrophobicContact CG-CB 3.97Å; W513-R530 HydrophobicContact CZ2-CB 4.33Å; W513-R530 HydrophobicContact CZ2-CG 4.4Å
514	I	91.4	Very high	86.5	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	92.7	170.6	-51.4	-171.2	0	0	0	107	R503 L505 L512 Y529 I531 I552 A559	R503-I514 HydrophobicContact CB-CG2 4.34Å; R503-I514 HydrophobicContact CG-CG2 4.3Å; L505-I514 HydrophobicContact CD2-CB 4.18Å; L505-I514 HydrophobicContact CD2-CD1 4.45Å; L505-I514 HydrophobicContact CD2-CG1 3.81Å; L505-I514 HydrophobicContact CD2-CG2 4.03Å; L512-I514 HydrophobicContact CG-CG1 4.42Å; I514-Y529 HydrophobicContact CB-CE1 4.19Å; I514-Y529 HydrophobicContact CB-CE2 4.12Å; I514-Y529 HydrophobicContact CD1-CE2 3.83Å; I514-Y529 HydrophobicContact CG1-CE2 4.23Å; I514-Y529 HydrophobicContact CG2-CE1 4.23Å; I514-Y529 PolarHBondContact N-O 2.73Å; I514-Y529 PolarHBondContact O-N 3.13Å; I514-I531 HydrophobicContact CD1-CD1 4.09Å; I514-I552 HydrophobicContact CD1-CD1 4.45Å; I514-A559 HydrophobicContact CD1-CB 4.22Å
515	C	91.3	Very high	85.8	Confident	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	138.7	-171.2	-65.7	0	0	0	0	112.8	R503 Y504 F523 S528	R503-C515 WeakPolarHBondContact CA-O 3.45Å; R503-C515 WeakPolarHBondContact CD-O 3.23Å; Y504-C515 PolarHBondContact N-O 2.72Å; Y504-C515 WeakPolarHBondContact O-CB 3.35Å; Y504-C515 PolarHBondContact O-N 2.78Å; C515-F523 HydrophobicContact CB-CB 4.22Å; C515-F523 HydrophobicContact CB-CD1 3.56Å; C515-F523 HydrophobicContact CB-CD2 4.27Å; C515-F523 HydrophobicContact CB-CE1 3.91Å; C515-F523 HydrophobicContact CB-CG 3.77Å; C515-F523 HydrophobicContact CB-CZ 4.41Å; C515-S528 VanDerWaalsContact CA-OG 3.29Å; C515-S528 WeakPolarHBondContact CA-OG 3.46Å
516	R	89.6	Confident	85	Confident	84 Å²	84	37.4 Å²	37.4	32%	0.317	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-89.3	129.9	162	-177.7	-179.1	-178.2	103.7	4.8	108.1	F523 D524 R527 S528	R516-F523 WeakPolarHBondContact O-CA 3.25Å; R516-D524 HydrophobicContact CB-CB 4.34Å; R516-D524 PolarHBondContact O-N 2.96Å; R516-R527 HydrophobicContact CB-CB 4.48Å; R516-S528 PolarHBondContact N-OG 3Å
517	V	86.9	Confident	84.6	Confident	46 Å²	46	45.3 Å²	45.3	28%	0.279	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-88.8	139.5	174.9	-164.5	0	0	0	0	109.3	G521 Q522 F523	V517-G521 WeakPolarHBondContact CG1-O 3.46Å; V517-Q522 CarbonylContact C-O 3.51Å; V517-Q522 WeakPolarHBondContact CA-O 3.15Å; V517-F523 HydrophobicContact CG2-CD1 4.3Å; V517-F523 HydrophobicContact CG2-CE1 4.32Å
518	S	83.4	Confident	84.4	Confident	39 Å²	39	45.5 Å²	45.5	27%	0.273	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-86.4	171.4	171	67	0	0	0	0	111.4	S520 G521 Q522	S518-S520 PolarHBondContact O-N 3.3Å; S518-S520 VanDerWaalsContact O-N 3.17Å; S518-S520 PolarHBondContact OG-N 3.05Å; S518-S520 PolarHBondContact OG-OG 2.97Å; S518-G521 PolarHBondContact O-N 3.47Å; S518-Q522 PolarHBondContact N-O 3.27Å; S518-Q522 WeakPolarHBondContact OG-CB 3.46Å; S518-Q522 PolarHBondContact OG-N 3.14Å; S518-Q522 PolarHBondContact OG-O 2.98Å
519	S	76	Confident	84.3	Confident	139 Å²	139	46.2 Å²	46.2	97%	0.972	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-20.7	171.9	45.2	0	0	0	0	113.9	G521	S519-G521 VanDerWaalsContact C-N 3.33Å
520	S	74.4	Confident	84.5	Confident	87 Å²	87	46.1 Å²	46.1	61%	0.608	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.7	11	174.8	54.1	0	0	0	0	114.2	S518 Q522	S518-S520 PolarHBondContact O-N 3.3Å; S518-S520 VanDerWaalsContact O-N 3.17Å; S518-S520 PolarHBondContact OG-N 3.05Å; S518-S520 PolarHBondContact OG-OG 2.97Å; S520-Q522 PolarHBondContact O-N 2.61Å; S520-Q522 VanDerWaalsContact O-N 3.08Å
521	G	77.8	Confident	84.9	Confident	31 Å²	31	45.5 Å²	45.5	32%	0.32	25%	0.246	S	C	.	.	S	Bend	trans	73.5	-6.9	-178.2	0	0	0	0	0	115	R472 V517 S518 S519	R472-G521 PolarHBondContact NE-O 3.48Å; V517-G521 WeakPolarHBondContact CG1-O 3.46Å; S518-G521 PolarHBondContact O-N 3.47Å; S519-G521 VanDerWaalsContact C-N 3.33Å
522	Q	83.1	Confident	84.8	Confident	52 Å²	52	45.5 Å²	45.5	24%	0.243	25%	0.25	C	C	.	.			trans	-73	157.3	178.1	-67.7	-69.5	-15	0	0	111.8	Y471 R472 Q474 V517 S518 S520	Y471-Q522 PolarHBondContact O-NE2 3.39Å; Y471-Q522 PolarHBondContact O-OE1 3.23Å; R472-Q522 VanDerWaalsContact CA-OE1 3.25Å; R472-Q522 PolarHBondContact O-OE1 2.87Å; Q474-Q522 HydrophobicContact CG-CB 4.38Å; V517-Q522 CarbonylContact C-O 3.51Å; V517-Q522 WeakPolarHBondContact CA-O 3.15Å; S518-Q522 PolarHBondContact N-O 3.27Å; S518-Q522 WeakPolarHBondContact OG-CB 3.46Å; S518-Q522 PolarHBondContact OG-N 3.14Å; S518-Q522 PolarHBondContact OG-O 2.98Å; S520-Q522 PolarHBondContact O-N 2.61Å; S520-Q522 VanDerWaalsContact O-N 3.08Å
523	F	86.1	Confident	84.6	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-85	126.8	170.5	-57.9	-37.6	0	0	0	110.4	L469 R472 F473 Q474 Y504 V506 C515 R516 V517 I525	L469-F523 HydrophobicContact CD1-CE2 4.01Å; L469-F523 HydrophobicContact CD1-CZ 4.31Å; R472-F523 HydrophobicContact CB-CD1 4.44Å; R472-F523 HydrophobicContact CB-CD2 3.81Å; R472-F523 HydrophobicContact CB-CE1 4.3Å; R472-F523 HydrophobicContact CB-CE2 3.66Å; R472-F523 HydrophobicContact CB-CG 4.21Å; R472-F523 HydrophobicContact CB-CZ 3.92Å; R472-F523 VanDerWaalsContact O-CB 3.24Å; R472-F523 WeakPolarHBondContact O-CB 3.44Å; R472-F523 WeakPolarHBondContact O-CD2 3.39Å; R472-F523 WeakPolarHBondContact O-CG 3.48Å; R472-F523 PolarHBondContact O-N 3.44Å; F473-F523 AromaticContact CD1-CD2 3.75Å; F473-F523 HydrophobicContact CD1-CD2 3.75Å; F473-F523 HydrophobicContact CD1-CE2 4.45Å; F473-F523 HydrophobicContact CD2-CD2 4.02Å; F473-F523 AromaticContact CD2-CE2 3.98Å; F473-F523 HydrophobicContact CD2-CE2 3.98Å; F473-F523 AromaticContact CE1-CD2 3.78Å; F473-F523 HydrophobicContact CE1-CD2 3.78Å; F473-F523 HydrophobicContact CE1-CE2 4.27Å; F473-F523 HydrophobicContact CE2-CD2 4.05Å; F473-F523 AromaticContact CE2-CE2 3.79Å; F473-F523 HydrophobicContact CE2-CE2 3.79Å; F473-F523 AromaticContact CG-CD2 3.86Å; F473-F523 HydrophobicContact CG-CD2 3.86Å; F473-F523 HydrophobicContact CG-CE2 4.3Å; F473-F523 AromaticContact CZ-CD2 3.93Å; F473-F523 HydrophobicContact CZ-CD2 3.93Å; F473-F523 AromaticContact CZ-CE2 3.93Å; F473-F523 HydrophobicContact CZ-CE2 3.93Å; Q474-F523 PolarHBondContact NE2-O 3.49Å; Y504-F523 AromaticContact CD1-CE1 3.77Å; Y504-F523 HydrophobicContact CD1-CE1 3.77Å; Y504-F523 AromaticContact CD1-CZ 3.53Å; Y504-F523 HydrophobicContact CD1-CZ 3.53Å; Y504-F523 HydrophobicContact CE1-CZ 4.07Å; Y504-F523 AromaticContact CG-CE1 3.76Å; Y504-F523 HydrophobicContact CG-CE1 3.76Å; Y504-F523 HydrophobicContact CG-CZ 4.02Å; V506-F523 HydrophobicContact CG2-CE2 4.38Å; V506-F523 HydrophobicContact CG2-CZ 4.29Å; C515-F523 HydrophobicContact CB-CB 4.22Å; C515-F523 HydrophobicContact CB-CD1 3.56Å; C515-F523 HydrophobicContact CB-CD2 4.27Å; C515-F523 HydrophobicContact CB-CE1 3.91Å; C515-F523 HydrophobicContact CB-CG 3.77Å; C515-F523 HydrophobicContact CB-CZ 4.41Å; R516-F523 WeakPolarHBondContact O-CA 3.25Å; V517-F523 HydrophobicContact CG2-CD1 4.3Å; V517-F523 HydrophobicContact CG2-CE1 4.32Å; F523-I525 HydrophobicContact CB-CD1 4.05Å; F523-I525 PolarHBondContact O-N 3Å
524	D	83.3	Confident	83.9	Confident	32 Å²	32	47.7 Å²	47.7	17%	0.171	26%	0.26	C	S	.	.			trans	-74.1	91.3	170.4	175.4	-15.2	0	0	0	108	R516 N526 R527 S528	R516-D524 HydrophobicContact CB-CB 4.34Å; R516-D524 PolarHBondContact O-N 2.96Å; D524-N526 PolarHBondContact O-N 2.96Å; D524-N526 PolarHBondContact OD1-N 3.31Å; D524-R527 HydrophobicContact CB-CB 4.47Å; D524-R527 PolarHBondContact O-N 3.12Å; D524-R527 WeakPolarHBondContact OD1-CG 3.18Å; D524-R527 PolarHBondContact OD1-N 3.3Å; D524-R527 WeakPolarHBondContact OD2-CB 3.22Å; D524-R527 WeakPolarHBondContact OD2-CD 3.38Å; D524-R527 VanDerWaalsContact OD2-CG 3.27Å; D524-R527 WeakPolarHBondContact OD2-CG 3.03Å; D524-R527 IonicContact OD2-NE 3.19Å; D524-R527 IonicContact OD2-NH1 3.28Å; D524-S528 WeakPolarHBondContact O-CB 3.31Å; D524-S528 PolarHBondContact O-N 3.05Å; D524-S528 PolarHBondContact O-OG 2.86Å
525	I	79.3	Confident	83.3	Confident	35 Å²	35	53.7 Å²	53.7	18%	0.179	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-34.5	-173.4	-55	-54.2	0	0	0	111.9	F473 Q476 F523	F473-I525 HydrophobicContact CD1-CD1 3.74Å; F473-I525 HydrophobicContact CE1-CD1 4.48Å; Q476-I525 HydrophobicContact CB-CG1 4.41Å; F523-I525 HydrophobicContact CB-CD1 4.05Å; F523-I525 PolarHBondContact O-N 3Å
526	N	77.1	Confident	83	Confident	141 Å²	141	53.9 Å²	53.9	75%	0.754	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-30.7	-179.3	-67	-30.9	0	0	0	113.1	D524	D524-N526 PolarHBondContact O-N 2.96Å; D524-N526 PolarHBondContact OD1-N 3.31Å
527	R	82.7	Confident	82.9	Confident	165 Å²	165	57.5 Å²	57.5	62%	0.623	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	-9	177.1	-57.1	-170.7	-178.8	144.1	-10.2	114	R516 D524	R516-R527 HydrophobicContact CB-CB 4.48Å; D524-R527 HydrophobicContact CB-CB 4.47Å; D524-R527 PolarHBondContact O-N 3.12Å; D524-R527 WeakPolarHBondContact OD1-CG 3.18Å; D524-R527 PolarHBondContact OD1-N 3.3Å; D524-R527 WeakPolarHBondContact OD2-CB 3.22Å; D524-R527 WeakPolarHBondContact OD2-CD 3.38Å; D524-R527 VanDerWaalsContact OD2-CG 3.27Å; D524-R527 WeakPolarHBondContact OD2-CG 3.03Å; D524-R527 IonicContact OD2-NE 3.19Å; D524-R527 IonicContact OD2-NH1 3.28Å
528	S	87.3	Confident	83.1	Confident	5 Å²	5	57.4 Å²	57.4	4%	0.035	30%	0.299	C	S	.	.			trans	-81.3	162	169.1	-59.2	0	0	0	0	110.9	C515 R516 D524	C515-S528 VanDerWaalsContact CA-OG 3.29Å; C515-S528 WeakPolarHBondContact CA-OG 3.46Å; R516-S528 PolarHBondContact N-OG 3Å; D524-S528 WeakPolarHBondContact O-CB 3.31Å; D524-S528 PolarHBondContact O-N 3.05Å; D524-S528 PolarHBondContact O-OG 2.86Å
529	Y	86.8	Confident	83.3	Confident	16 Å²	16	59.6 Å²	59.6	6%	0.063	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	151.8	175.3	56.6	-80.3	0	0	0	111.8	K494 I514 I531 K557	K494-Y529 WeakPolarHBondContact CE-OH 3.36Å; I514-Y529 HydrophobicContact CB-CE1 4.19Å; I514-Y529 HydrophobicContact CB-CE2 4.12Å; I514-Y529 HydrophobicContact CD1-CE2 3.83Å; I514-Y529 HydrophobicContact CG1-CE2 4.23Å; I514-Y529 HydrophobicContact CG2-CE1 4.23Å; I514-Y529 PolarHBondContact N-O 2.73Å; I514-Y529 PolarHBondContact O-N 3.13Å; Y529-I531 HydrophobicContact CD2-CG1 4.32Å; Y529-I531 HydrophobicContact CE2-CD1 4.26Å; Y529-I531 HydrophobicContact CE2-CG1 4.44Å; Y529-K557 HydrophobicContact CD1-CD 3.84Å; Y529-K557 HydrophobicContact CD2-CB 3.96Å; Y529-K557 HydrophobicContact CD2-CD 3.94Å; Y529-K557 HydrophobicContact CD2-CG 4.31Å; Y529-K557 HydrophobicContact CE1-CD 3.72Å; Y529-K557 HydrophobicContact CE1-CG 4.4Å; Y529-K557 HydrophobicContact CE2-CB 3.7Å; Y529-K557 HydrophobicContact CE2-CD 3.81Å; Y529-K557 HydrophobicContact CE2-CG 3.82Å; Y529-K557 HydrophobicContact CG-CD 3.95Å
530	R	87.5	Confident	83.8	Confident	40 Å²	40	57.6 Å²	57.6	15%	0.151	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	144.6	174.7	65.2	-177.9	178.3	-113.2	-9.7	112.1	T221 S222 Y511 L512 W513	T221-R530 PolarHBondContact O-NH2 3.3Å; T221-R530 PolarHBondContact OG1-NE 3.16Å; T221-R530 PolarHBondContact OG1-NH2 2.85Å; S222-R530 VanDerWaalsContact CB-NH2 3.26Å; S222-R530 PolarHBondContact OG-NH1 2.9Å; S222-R530 VanDerWaalsContact OG-NH1 3.17Å; S222-R530 PolarHBondContact OG-NH2 2.74Å; Y511-R530 HydrophobicContact CD1-CB 4.12Å; Y511-R530 HydrophobicContact CD1-CG 3.89Å; Y511-R530 HydrophobicContact CE1-CG 4.27Å; Y511-R530 HydrophobicContact CG-CB 4.46Å; Y511-R530 HydrophobicContact CG-CG 4.48Å; L512-R530 CarbonylContact O-C 3.51Å; L512-R530 VanDerWaalsContact O-CA 3.32Å; L512-R530 WeakPolarHBondContact O-CA 3.49Å; W513-R530 HydrophobicContact CD2-CB 3.69Å; W513-R530 HydrophobicContact CE3-CB 4.07Å; W513-R530 HydrophobicContact CG-CB 3.97Å; W513-R530 HydrophobicContact CZ2-CB 4.33Å; W513-R530 HydrophobicContact CZ2-CG 4.4Å
531	I	88	Confident	84.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	120.8	176.7	-60.7	176.4	0	0	0	107.5	Y511 L512 I514 Y529 L533 M536 I552	Y511-I531 WeakPolarHBondContact CA-O 3.45Å; L512-I531 PolarHBondContact N-O 3.49Å; L512-I531 PolarHBondContact O-N 3.08Å; I514-I531 HydrophobicContact CD1-CD1 4.09Å; Y529-I531 HydrophobicContact CD2-CG1 4.32Å; Y529-I531 HydrophobicContact CE2-CD1 4.26Å; Y529-I531 HydrophobicContact CE2-CG1 4.44Å; I531-L533 PolarHBondContact O-N 3.12Å; I531-M536 HydrophobicContact CG2-CB 3.79Å; I531-M536 HydrophobicContact CG2-CG 4.09Å; I531-M536 HydrophobicContact CG2-SD 4.11Å; I531-I552 HydrophobicContact CD1-CG2 3.69Å
532	P	86.6	Confident	83.8	Confident	33 Å²	33	62.3 Å²	62.3	21%	0.214	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129.4	171.8	-7	19.1	0	0	0	109.7	Y511 E534 Y535 M536	Y511-P532 HydrophobicContact CD1-CB 4.14Å; Y511-P532 HydrophobicContact CD1-CG 4.28Å; Y511-P532 HydrophobicContact CE1-CB 3.92Å; Y511-P532 HydrophobicContact CE1-CG 3.91Å; P532-E534 PolarHBondContact O-N 3.42Å; P532-E534 VanDerWaalsContact O-N 3.08Å; P532-Y535 PolarHBondContact O-N 3.3Å; P532-M536 PolarHBondContact O-N 2.91Å
533	L	86.3	Confident	83.2	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.005	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-62	-21.3	-177.4	-64.7	-175.2	0	0	0	113.4	L507 F508 D510 L512 I531 Y535 M536 L576 A579 Q580	L507-L533 HydrophobicContact CD1-CD1 4.11Å; L507-L533 HydrophobicContact CD1-CD2 3.92Å; F508-L533 WeakPolarHBondContact O-CD1 2.99Å; D510-L533 PolarHBondContact O-N 2.97Å; L512-L533 HydrophobicContact CB-CD2 4.15Å; I531-L533 PolarHBondContact O-N 3.12Å; L533-Y535 VanDerWaalsContact C-N 3.29Å; L533-Y535 PolarHBondContact O-N 2.82Å; L533-M536 HydrophobicContact CD2-SD 3.99Å; L533-L576 HydrophobicContact CD2-CD2 4.09Å; L533-A579 HydrophobicContact CD1-CB 3.64Å; L533-Q580 HydrophobicContact CB-CG 4.34Å; L533-Q580 PolarHBondContact O-NE2 2.64Å
534	E	77.6	Confident	82.1	Confident	56 Å²	56	71.2 Å²	71.2	26%	0.262	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-62.8	-30.7	178	-160.8	172	133.3	0	0	113.2	P532 K587	P532-E534 PolarHBondContact O-N 3.42Å; P532-E534 VanDerWaalsContact O-N 3.08Å; E534-K587 IonicContact OE1-NZ 2.72Å; E534-K587 PolarHBondContact OE1-NZ 3.26Å; E534-K587 WeakPolarHBondContact OE2-CE 3.42Å; E534-K587 IonicContact OE2-NZ 3.48Å; E534-K587 PolarHBondContact OE2-NZ 2.93Å
535	Y	77.9	Confident	81.3	Confident	125 Å²	125	78.1 Å²	78.1	49%	0.49	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-121.7	16.8	-175.2	-45.4	-46.8	0	0	0	113.3	P532 L533	P532-Y535 PolarHBondContact O-N 3.3Å; L533-Y535 VanDerWaalsContact C-N 3.29Å; L533-Y535 PolarHBondContact O-N 2.82Å
536	M	85.9	Confident	81.1	Confident	5 Å²	5	81.3 Å²	81.3	3%	0.025	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	134.8	175.6	-178.8	168.3	157.3	0	0	110.2	L512 I531 P532 L533 F538 I552 L576 Q580	L512-M536 HydrophobicContact CB-SD 4.32Å; L512-M536 HydrophobicContact CD2-CE 3.75Å; L512-M536 HydrophobicContact CD2-SD 3.99Å; I531-M536 HydrophobicContact CG2-CB 3.79Å; I531-M536 HydrophobicContact CG2-CG 4.09Å; I531-M536 HydrophobicContact CG2-SD 4.11Å; P532-M536 PolarHBondContact O-N 2.91Å; L533-M536 HydrophobicContact CD2-SD 3.99Å; M536-F538 HydrophobicContact CE-CB 4.07Å; M536-F538 HydrophobicContact CE-CD1 3.83Å; M536-F538 HydrophobicContact CE-CG 4.32Å; M536-F538 HydrophobicContact CG-CD1 4.49Å; M536-I552 HydrophobicContact CE-CB 4.42Å; M536-I552 HydrophobicContact CE-CD1 3.94Å; M536-I552 HydrophobicContact CE-CG1 3.92Å; M536-I552 HydrophobicContact CE-CG2 3.77Å; M536-I552 HydrophobicContact CG-CG2 4.15Å; M536-I552 HydrophobicContact SD-CG2 4.14Å; M536-L576 HydrophobicContact CE-CD1 3.67Å; M536-L576 HydrophobicContact CE-CD2 3.63Å; M536-L576 HydrophobicContact CE-CG 4.26Å; M536-L576 HydrophobicContact SD-CD2 4.26Å; M536-Q580 PolarHBondContact O-NE2 2.98Å
537	K	87.9	Confident	81.3	Confident	159 Å²	159	77.4 Å²	77.4	69%	0.691	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	149.6	157.8	-67.7	-170.7	176.6	-170.5	0	108.3	R553	K537-R553 HydrophobicContact CB-CB 4.37Å; K537-R553 PolarHBondContact N-O 3.41Å; K537-R553 PolarHBondContact O-N 2.85Å; K537-R553 VanDerWaalsContact O-O 3.09Å
538	F	90.2	Very high	81.5	Confident	45 Å²	45	75.1 Å²	75.1	20%	0.197	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	150.5	171.4	55.1	-93.6	0	0	0	109.6	M536 L550 Q551 I552 T573 L576 T577 Q580	M536-F538 HydrophobicContact CE-CB 4.07Å; M536-F538 HydrophobicContact CE-CD1 3.83Å; M536-F538 HydrophobicContact CE-CG 4.32Å; M536-F538 HydrophobicContact CG-CD1 4.49Å; F538-L550 HydrophobicContact CB-CD1 4.32Å; F538-L550 HydrophobicContact CB-CD2 4.41Å; F538-L550 HydrophobicContact CB-CG 4.34Å; F538-L550 HydrophobicContact CD2-CD1 4.28Å; F538-Q551 CarbonylContact C-O 3.43Å; F538-Q551 VanDerWaalsContact CA-O 3.23Å; F538-Q551 WeakPolarHBondContact CA-O 3.23Å; F538-I552 HydrophobicContact CB-CG1 4.5Å; F538-T573 HydrophobicContact CD2-CG2 3.93Å; F538-T573 HydrophobicContact CE2-CG2 3.6Å; F538-L576 HydrophobicContact CD1-CB 4.13Å; F538-L576 HydrophobicContact CD1-CD1 4.38Å; F538-L576 HydrophobicContact CE1-CB 3.7Å; F538-L576 HydrophobicContact CE2-CB 4.42Å; F538-L576 HydrophobicContact CG-CD1 4.43Å; F538-L576 HydrophobicContact CZ-CB 3.87Å; F538-T577 WeakPolarHBondContact CZ-OG1 3.05Å; F538-Q580 HydrophobicContact CE1-CG 4.39Å
539	E	88	Confident	81.5	Confident	84 Å²	84	75.1 Å²	75.1	39%	0.393	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	128.7	-168.8	-156.8	160.5	119.4	0	0	108.2	Q551 R553	E539-Q551 HydrophobicContact CB-CB 4.47Å; E539-Q551 PolarHBondContact N-O 2.87Å; E539-Q551 PolarHBondContact O-N 2.8Å; E539-R553 VanDerWaalsContact CD-NH2 3.26Å; E539-R553 IonicContact OE1-CZ 2.92Å; E539-R553 IonicContact OE1-NH1 3.86Å; E539-R553 PolarHBondContact OE1-NH1 2.89Å; E539-R553 IonicContact OE1-NH2 2.85Å; E539-R553 PolarHBondContact OE1-NH2 3.3Å; E539-R553 IonicContact OE2-CZ 2.82Å; E539-R553 IonicContact OE2-NE 2.89Å; E539-R553 IonicContact OE2-NH1 3.72Å; E539-R553 PolarHBondContact OE2-NH1 3.17Å; E539-R553 IonicContact OE2-NH2 3.18Å; E539-R553 PolarHBondContact OE2-NH2 3.12Å
540	R	86.1	Confident	81.8	Confident	97 Å²	97	74.3 Å²	74.3	37%	0.366	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	140.3	171	-71.3	-174.2	178.3	160.6	3	107.9	L550 T573 D574	R540-L550 HydrophobicContact CG-CD1 4.32Å; R540-T573 HydrophobicContact CG-CG2 4.22Å; R540-T573 PolarHBondContact NE-OG1 2.84Å; R540-D574 IonicContact NH2-OD1 3.63Å; R540-D574 PolarHBondContact NH2-OD1 3.43Å
541	M	81.1	Confident	82	Confident	38 Å²	38	75.1 Å²	75.1	19%	0.187	34%	0.34	C	S	.	.			trans	-87.8	141.5	166.2	-53.7	-58.9	-58.8	0	0	108.8	E543 R546 C549 Q551 L560 R569	M541-E543 VanDerWaalsContact CE-OE2 3.28Å; M541-E543 WeakPolarHBondContact CE-OE2 3.21Å; M541-R546 HydrophobicContact CB-CB 3.79Å; M541-R546 HydrophobicContact CG-CB 4.19Å; M541-C549 HydrophobicContact CB-CB 4.39Å; M541-C549 HydrophobicContact CG-CB 3.85Å; M541-Q551 HydrophobicContact SD-CB 4.36Å; M541-L560 HydrophobicContact CG-CD1 4.27Å; M541-L560 HydrophobicContact SD-CD1 4.48Å; M541-R569 PolarHBondContact O-NH1 3.12Å
542	E	70.6	Confident	82.2	Confident	179 Å²	179	75.1 Å²	75.1	84%	0.836	34%	0.34	S	S	*	.			trans	-114.5	-2.3	-177.3	-60.1	-174.5	163.5	0	0	112.9
543	E	72.1	Confident	82.2	Confident	96 Å²	96	78.3 Å²	78.3	45%	0.449	35%	0.347	S	S	.	.	S	Bend	trans	-71.2	133.1	167.4	-58.1	157.3	125.9	0	0	109.6	M541 E545 R546 I547	M541-E543 VanDerWaalsContact CE-OE2 3.28Å; M541-E543 WeakPolarHBondContact CE-OE2 3.21Å; E543-E545 PolarHBondContact O-N 2.85Å; E543-R546 HydrophobicContact CB-CB 4.38Å; E543-R546 CarbonylContact O-C 3.3Å; E543-R546 VanDerWaalsContact O-C 3.3Å; E543-R546 WeakPolarHBondContact O-CA 3.48Å; E543-R546 PolarHBondContact O-N 2.85Å; E543-R546 IonicContact OE1-CZ 2.82Å; E543-R546 IonicContact OE1-NH1 2.78Å; E543-R546 PolarHBondContact OE1-NH1 2.89Å; E543-R546 VanDerWaalsContact OE2-CD 3.31Å; E543-R546 WeakPolarHBondContact OE2-CD 3.13Å; E543-R546 IonicContact OE2-CZ 2.68Å; E543-R546 IonicContact OE2-NE 3.76Å; E543-R546 IonicContact OE2-NH1 3.94Å; E543-R546 PolarHBondContact OE2-NH1 3.39Å; E543-I547 PolarHBondContact O-N 3.35Å
544	D	61.2	Low	82.1	Confident	143 Å²	143	79.1 Å²	79.1	77%	0.765	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-54.1	-47.9	-172.6	-66	-57.4	0	0	0	113.8	R546 I547	D544-R546 PolarHBondContact O-N 3.33Å; D544-R546 VanDerWaalsContact O-N 3.07Å; D544-I547 WeakPolarHBondContact O-CB 3.42Å; D544-I547 WeakPolarHBondContact O-CG2 3.36Å; D544-I547 PolarHBondContact O-N 2.89Å
545	E	66.7	Low	81.8	Confident	177 Å²	177	86.3 Å²	86.3	83%	0.827	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-57.8	-25.9	176.4	-62.5	-170.3	157.1	0	0	113.1	E543	E543-E545 PolarHBondContact O-N 2.85Å
546	R	75.2	Confident	81.5	Confident	103 Å²	103	84.8 Å²	84.8	39%	0.389	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-110.3	7.8	-175.3	-54	-162.7	-171	122.4	6.6	113.2	M541 E543 D544 R548 C549	M541-R546 HydrophobicContact CB-CB 3.79Å; M541-R546 HydrophobicContact CG-CB 4.19Å; E543-R546 HydrophobicContact CB-CB 4.38Å; E543-R546 CarbonylContact O-C 3.3Å; E543-R546 VanDerWaalsContact O-C 3.3Å; E543-R546 WeakPolarHBondContact O-CA 3.48Å; E543-R546 PolarHBondContact O-N 2.85Å; E543-R546 IonicContact OE1-CZ 2.82Å; E543-R546 IonicContact OE1-NH1 2.78Å; E543-R546 PolarHBondContact OE1-NH1 2.89Å; E543-R546 VanDerWaalsContact OE2-CD 3.31Å; E543-R546 WeakPolarHBondContact OE2-CD 3.13Å; E543-R546 IonicContact OE2-CZ 2.68Å; E543-R546 IonicContact OE2-NE 3.76Å; E543-R546 IonicContact OE2-NH1 3.94Å; E543-R546 PolarHBondContact OE2-NH1 3.39Å; D544-R546 PolarHBondContact O-N 3.33Å; D544-R546 VanDerWaalsContact O-N 3.07Å; R546-R548 PolarHBondContact O-N 2.84Å; R546-C549 HydrophobicContact CB-CB 4.35Å; R546-C549 WeakPolarHBondContact O-CA 3.31Å; R546-C549 WeakPolarHBondContact O-CB 3.4Å; R546-C549 PolarHBondContact O-N 2.86Å; R546-C549 PolarHBondContact O-SG 3.37Å; R546-C549 VanDerWaalsContact O-SG 3.4Å
547	I	81.5	Confident	81.2	Confident	59 Å²	59	89.5 Å²	89.5	30%	0.303	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-25.7	-178.3	-152.2	-174.8	0	0	0	113	E543 D544 C549 E566 R569	E543-I547 PolarHBondContact O-N 3.35Å; D544-I547 WeakPolarHBondContact O-CB 3.42Å; D544-I547 WeakPolarHBondContact O-CG2 3.36Å; D544-I547 PolarHBondContact O-N 2.89Å; I547-C549 VanDerWaalsContact C-N 3.26Å; I547-C549 PolarHBondContact O-N 2.88Å; I547-E566 HydrophobicContact CB-CG 4.42Å; I547-E566 HydrophobicContact CD1-CG 4.04Å; I547-E566 HydrophobicContact CG1-CG 3.83Å; I547-E566 HydrophobicContact CG2-CG 4.17Å; I547-E566 WeakPolarHBondContact O-CG 3.34Å; I547-R569 PolarHBondContact O-NE 3Å; I547-R569 PolarHBondContact O-NH1 3.37Å; I547-R569 PolarHBondContact O-NH2 2.83Å
548	R	86.6	Confident	81	Confident	116 Å²	116	85.2 Å²	85.2	44%	0.438	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	2.9	173.4	-60.6	-175.1	-69	143.3	-0.8	114.6	R546 I562 F563 S564 E566	R546-R548 PolarHBondContact O-N 2.84Å; R548-I562 HydrophobicContact CB-CG2 4.47Å; R548-F563 PolarHBondContact O-N 2.68Å; R548-S564 WeakPolarHBondContact CD-O 3.48Å; R548-S564 PolarHBondContact NH1-O 2.87Å; R548-E566 HydrophobicContact CG-CB 4.43Å
549	C	88.4	Confident	80.9	Confident	5 Å²	5	83.2 Å²	83.2	3%	0.034	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	150.5	-175.3	-55.4	0	0	0	0	113.1	M541 R546 I547 L560 I561 R569	M541-C549 HydrophobicContact CB-CB 4.39Å; M541-C549 HydrophobicContact CG-CB 3.85Å; R546-C549 HydrophobicContact CB-CB 4.35Å; R546-C549 WeakPolarHBondContact O-CA 3.31Å; R546-C549 WeakPolarHBondContact O-CB 3.4Å; R546-C549 PolarHBondContact O-N 2.86Å; R546-C549 PolarHBondContact O-SG 3.37Å; R546-C549 VanDerWaalsContact O-SG 3.4Å; I547-C549 VanDerWaalsContact C-N 3.26Å; I547-C549 PolarHBondContact O-N 2.88Å; C549-L560 HydrophobicContact CB-CD1 3.89Å; C549-L560 HydrophobicContact CB-CG 4.37Å; C549-I561 CarbonylContact C-O 3.53Å; C549-I561 VanDerWaalsContact CA-O 3.22Å; C549-I561 WeakPolarHBondContact CA-O 3.26Å; C549-R569 WeakPolarHBondContact O-CG 3.45Å
550	L	92.2	Very high	81.1	Confident	0 Å²	0	81 Å²	81	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	121.4	167.9	-173.2	75.5	0	0	0	108.3	F538 R540 I552 I561 F563 T573 L576	F538-L550 HydrophobicContact CB-CD1 4.32Å; F538-L550 HydrophobicContact CB-CD2 4.41Å; F538-L550 HydrophobicContact CB-CG 4.34Å; F538-L550 HydrophobicContact CD2-CD1 4.28Å; R540-L550 HydrophobicContact CG-CD1 4.32Å; L550-I552 HydrophobicContact CD2-CG1 4.3Å; L550-I561 PolarHBondContact N-O 3.43Å; L550-I561 PolarHBondContact O-N 3.18Å; L550-F563 HydrophobicContact CB-CE2 3.71Å; L550-F563 HydrophobicContact CD2-CE2 4.24Å; L550-F563 HydrophobicContact CD2-CZ 4.49Å; L550-T573 HydrophobicContact CD1-CG2 4.43Å; L550-L576 HydrophobicContact CD2-CD1 3.78Å
551	Q	91.4	Very high	81.4	Confident	56 Å²	56	76.4 Å²	76.4	26%	0.262	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	115.7	174.7	-159.9	-174.3	37.3	0	0	109.9	F538 E539 M541 R553 L560	F538-Q551 CarbonylContact C-O 3.43Å; F538-Q551 VanDerWaalsContact CA-O 3.23Å; F538-Q551 WeakPolarHBondContact CA-O 3.23Å; E539-Q551 HydrophobicContact CB-CB 4.47Å; E539-Q551 PolarHBondContact N-O 2.87Å; E539-Q551 PolarHBondContact O-N 2.8Å; M541-Q551 HydrophobicContact SD-CB 4.36Å; Q551-R553 HydrophobicContact CG-CG 4.43Å; Q551-L560 HydrophobicContact CB-CD1 3.84Å; Q551-L560 HydrophobicContact CG-CD1 4.12Å
552	I	92.1	Very high	81.9	Confident	1 Å²	1	76 Å²	76	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	122.5	175.2	-60.6	177	0	0	0	108.4	L512 I514 I531 M536 F538 L550 S558 A559 I561	L512-I552 HydrophobicContact CD2-CD1 3.65Å; I514-I552 HydrophobicContact CD1-CD1 4.45Å; I531-I552 HydrophobicContact CD1-CG2 3.69Å; M536-I552 HydrophobicContact CE-CB 4.42Å; M536-I552 HydrophobicContact CE-CD1 3.94Å; M536-I552 HydrophobicContact CE-CG1 3.92Å; M536-I552 HydrophobicContact CE-CG2 3.77Å; M536-I552 HydrophobicContact CG-CG2 4.15Å; M536-I552 HydrophobicContact SD-CG2 4.14Å; F538-I552 HydrophobicContact CB-CG1 4.5Å; L550-I552 HydrophobicContact CD2-CG1 4.3Å; I552-S558 CarbonylContact O-C 3.56Å; I552-S558 VanDerWaalsContact O-CA 3.25Å; I552-S558 WeakPolarHBondContact O-CA 3.36Å; I552-S558 WeakPolarHBondContact O-CB 3.03Å; I552-A559 PolarHBondContact N-O 3.02Å; I552-A559 PolarHBondContact O-N 3.07Å; I552-I561 HydrophobicContact CD1-CG1 3.87Å; I552-I561 HydrophobicContact CG1-CG1 4.49Å
553	R	87.9	Confident	83	Confident	99 Å²	99	67.8 Å²	67.8	37%	0.374	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	131.1	178.3	-59.7	-178.1	-174.1	151.4	7.4	109.6	K537 E539 Q551	K537-R553 HydrophobicContact CB-CB 4.37Å; K537-R553 PolarHBondContact N-O 3.41Å; K537-R553 PolarHBondContact O-N 2.85Å; K537-R553 VanDerWaalsContact O-O 3.09Å; E539-R553 VanDerWaalsContact CD-NH2 3.26Å; E539-R553 IonicContact OE1-CZ 2.92Å; E539-R553 IonicContact OE1-NH1 3.86Å; E539-R553 PolarHBondContact OE1-NH1 2.89Å; E539-R553 IonicContact OE1-NH2 2.85Å; E539-R553 PolarHBondContact OE1-NH2 3.3Å; E539-R553 IonicContact OE2-CZ 2.82Å; E539-R553 IonicContact OE2-NE 2.89Å; E539-R553 IonicContact OE2-NH1 3.72Å; E539-R553 PolarHBondContact OE2-NH1 3.17Å; E539-R553 IonicContact OE2-NH2 3.18Å; E539-R553 PolarHBondContact OE2-NH2 3.12Å; Q551-R553 HydrophobicContact CG-CG 4.43Å
554	S	84.3	Confident	83.9	Confident	19 Å²	19	67.1 Å²	67.1	13%	0.133	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	152.1	179.6	-179.1	0	0	0	0	111.3	V556 K557	S554-V556 PolarHBondContact O-N 2.83Å; S554-V556 PolarHBondContact OG-N 2.83Å; S554-K557 PolarHBondContact O-N 3.49Å
555	R	70.4	Confident	85.3	Confident	207 Å²	207	62.6 Å²	62.6	78%	0.781	30%	0.303	S	S	*	.	S	Bend	trans	-59.5	-20.1	172.6	-69.7	-179.8	172.7	169.2	-4.4	113.6
556	V	72.6	Confident	86.4	Confident	92 Å²	92	57.5 Å²	57.5	56%	0.558	28%	0.279	S	S	*	.	S	Bend	trans	-89.6	-52.6	177.4	-177.6	0	0	0	0	111.5	S554	S554-V556 PolarHBondContact O-N 2.83Å; S554-V556 PolarHBondContact OG-N 2.83Å
557	K	78.7	Confident	87.1	Confident	105 Å²	105	59.9 Å²	59.9	46%	0.457	29%	0.292	S	S	.	.			trans	-165.1	128	-173.2	-158.8	155.7	177.4	175.8	0	110.6	Y529 S554	Y529-K557 HydrophobicContact CD1-CD 3.84Å; Y529-K557 HydrophobicContact CD2-CB 3.96Å; Y529-K557 HydrophobicContact CD2-CD 3.94Å; Y529-K557 HydrophobicContact CD2-CG 4.31Å; Y529-K557 HydrophobicContact CE1-CD 3.72Å; Y529-K557 HydrophobicContact CE1-CG 4.4Å; Y529-K557 HydrophobicContact CE2-CB 3.7Å; Y529-K557 HydrophobicContact CE2-CD 3.81Å; Y529-K557 HydrophobicContact CE2-CG 3.82Å; Y529-K557 HydrophobicContact CG-CD 3.95Å; S554-K557 PolarHBondContact O-N 3.49Å
558	S	84.5	Confident	87.5	Confident	68 Å²	68	58.3 Å²	58.3	48%	0.476	28%	0.283	S	S	.	.			trans	-93.9	150.5	173.6	-59.8	0	0	0	0	111.5	I552	I552-S558 CarbonylContact O-C 3.56Å; I552-S558 VanDerWaalsContact O-CA 3.25Å; I552-S558 WeakPolarHBondContact O-CA 3.36Å; I552-S558 WeakPolarHBondContact O-CB 3.03Å
559	A	87.9	Confident	87.8	Confident	4 Å²	4	53.4 Å²	53.4	3%	0.033	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	131.5	-178.7	0	0	0	0	0	110.9	K494 I514 I552 I561	K494-A559 HydrophobicContact CD-CB 4.35Å; K494-A559 HydrophobicContact CG-CB 4.47Å; I514-A559 HydrophobicContact CD1-CB 4.22Å; I552-A559 PolarHBondContact N-O 3.02Å; I552-A559 PolarHBondContact O-N 3.07Å; A559-I561 HydrophobicContact CB-CD1 4.12Å
560	L	91.2	Very high	87.9	Confident	37 Å²	37	55 Å²	55	19%	0.194	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	120.1	159.3	-173.6	71	0	0	0	107.5	Q495 M541 C549 Q551	Q495-L560 HydrophobicContact CB-CB 4.11Å; Q495-L560 HydrophobicContact CB-CD2 4.22Å; Q495-L560 PolarHBondContact N-O 2.84Å; Q495-L560 VanDerWaalsContact N-O 3.1Å; M541-L560 HydrophobicContact CG-CD1 4.27Å; M541-L560 HydrophobicContact SD-CD1 4.48Å; C549-L560 HydrophobicContact CB-CD1 3.89Å; C549-L560 HydrophobicContact CB-CG 4.37Å; Q551-L560 HydrophobicContact CB-CD1 3.84Å; Q551-L560 HydrophobicContact CG-CD1 4.12Å
561	I	93.7	Very high	87.9	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	138.2	175.3	-57.4	-58.1	0	0	0	108.1	V492 K494 L505 C549 L550 I552 A559 F563	V492-I561 HydrophobicContact CB-CG2 3.71Å; V492-I561 HydrophobicContact CG1-CG2 4.05Å; V492-I561 HydrophobicContact CG2-CD1 4.34Å; V492-I561 HydrophobicContact CG2-CG2 3.67Å; K494-I561 HydrophobicContact CB-CD1 4.15Å; K494-I561 HydrophobicContact CG-CD1 4.04Å; L505-I561 HydrophobicContact CD1-CG2 4.26Å; L505-I561 HydrophobicContact CD2-CD1 4.48Å; C549-I561 CarbonylContact C-O 3.53Å; C549-I561 VanDerWaalsContact CA-O 3.22Å; C549-I561 WeakPolarHBondContact CA-O 3.26Å; L550-I561 PolarHBondContact N-O 3.43Å; L550-I561 PolarHBondContact O-N 3.18Å; I552-I561 HydrophobicContact CD1-CG1 3.87Å; I552-I561 HydrophobicContact CG1-CG1 4.49Å; A559-I561 HydrophobicContact CB-CD1 4.12Å; I561-F563 HydrophobicContact CB-CE2 4.38Å; I561-F563 HydrophobicContact CB-CZ 4.46Å; I561-F563 HydrophobicContact CG2-CD1 4.42Å; I561-F563 HydrophobicContact CG2-CD2 4.3Å; I561-F563 HydrophobicContact CG2-CE1 3.97Å; I561-F563 HydrophobicContact CG2-CE2 3.86Å; I561-F563 HydrophobicContact CG2-CZ 3.68Å
562	I	91.7	Very high	88.1	Confident	31 Å²	31	56 Å²	56	16%	0.159	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.9	175.9	-43.5	-171.2	0	0	0	107.3	M493 L500 R548	M493-I562 HydrophobicContact CB-CB 4.37Å; M493-I562 PolarHBondContact N-O 3.47Å; M493-I562 PolarHBondContact O-N 2.62Å; L500-I562 HydrophobicContact CD2-CD1 3.55Å; R548-I562 HydrophobicContact CB-CG2 4.47Å
563	F	93	Very high	88	Confident	5 Å²	5	56.4 Å²	56.4	2%	0.022	28%	0.28	C	S	.	.			trans	-92.4	167.5	-179.4	-67.1	-77.1	0	0	0	111.8	V492 L505 R548 L550 I561 S565 E568 R569 W572	V492-F563 HydrophobicContact CG1-CD1 3.62Å; V492-F563 HydrophobicContact CG1-CE1 3.54Å; L505-F563 HydrophobicContact CD1-CE1 4.01Å; L505-F563 HydrophobicContact CD1-CZ 4.15Å; R548-F563 PolarHBondContact O-N 2.68Å; L550-F563 HydrophobicContact CB-CE2 3.71Å; L550-F563 HydrophobicContact CD2-CE2 4.24Å; L550-F563 HydrophobicContact CD2-CZ 4.49Å; I561-F563 HydrophobicContact CB-CE2 4.38Å; I561-F563 HydrophobicContact CB-CZ 4.46Å; I561-F563 HydrophobicContact CG2-CD1 4.42Å; I561-F563 HydrophobicContact CG2-CD2 4.3Å; I561-F563 HydrophobicContact CG2-CE1 3.97Å; I561-F563 HydrophobicContact CG2-CE2 3.86Å; I561-F563 HydrophobicContact CG2-CZ 3.68Å; F563-S565 VanDerWaalsContact C-N 3.3Å; F563-S565 PolarHBondContact O-N 3.5Å; F563-E568 HydrophobicContact CB-CB 4.18Å; F563-E568 HydrophobicContact CD1-CG 4.28Å; F563-E568 WeakPolarHBondContact CD1-OE1 3.42Å; F563-R569 HydrophobicContact CB-CB 4.34Å; F563-R569 HydrophobicContact CD2-CB 3.71Å; F563-R569 HydrophobicContact CD2-CG 3.96Å; F563-R569 HydrophobicContact CE2-CB 4.42Å; F563-R569 HydrophobicContact CE2-CG 4.4Å; F563-R569 HydrophobicContact CG-CB 4.3Å; F563-W572 AromaticContact CD1-CD1 3.66Å; F563-W572 HydrophobicContact CD1-CG 4.34Å; F563-W572 AromaticContact CD1-NE1 3.92Å; F563-W572 HydrophobicContact CE1-CB 4.11Å; F563-W572 AromaticContact CE1-CD1 3.17Å; F563-W572 AromaticContact CE1-CD2 3.86Å; F563-W572 HydrophobicContact CE1-CD2 3.86Å; F563-W572 AromaticContact CE1-CE2 3.86Å; F563-W572 AromaticContact CE1-CG 3.48Å; F563-W572 HydrophobicContact CE1-CG 3.48Å; F563-W572 VanDerWaalsContact CE1-CG 3.48Å; F563-W572 AromaticContact CE1-NE1 3.4Å; F563-W572 HydrophobicContact CE2-CB 4.31Å; F563-W572 HydrophobicContact CZ-CB 3.73Å; F563-W572 AromaticContact CZ-CD1 3.74Å; F563-W572 HydrophobicContact CZ-CD2 4.07Å; F563-W572 AromaticContact CZ-CG 3.58Å; F563-W572 HydrophobicContact CZ-CG 3.58Å
564	S	90.6	Very high	88.2	Confident	82 Å²	82	55.7 Å²	55.7	57%	0.573	28%	0.284	S	S	*	.	S	Bend	trans	-56.3	-48.2	175.4	60.3	0	0	0	0	111.1	R548 E568	R548-S564 WeakPolarHBondContact CD-O 3.48Å; R548-S564 PolarHBondContact NH1-O 2.87Å; S564-E568 WeakPolarHBondContact CB-OE2 3.26Å; S564-E568 PolarHBondContact N-OE2 3.35Å; S564-E568 PolarHBondContact OG-OE2 3.05Å
565	S	90.4	Very high	88.6	Confident	49 Å²	49	56.3 Å²	56.3	34%	0.343	29%	0.286	S	S	.	.	S	Bend	trans	-141.1	161.1	-173.2	62.2	0	0	0	0	111.5	F563 K567 E568 R569	F563-S565 VanDerWaalsContact C-N 3.3Å; F563-S565 PolarHBondContact O-N 3.5Å; S565-K567 VanDerWaalsContact C-N 3.29Å; S565-K567 PolarHBondContact O-N 3.14Å; S565-E568 WeakPolarHBondContact O-CB 3.19Å; S565-E568 PolarHBondContact O-N 2.68Å; S565-E568 PolarHBondContact OG-N 2.62Å; S565-R569 PolarHBondContact O-N 3.18Å; S565-R569 VanDerWaalsContact O-N 3.12Å
566	E	89.8	Confident	89.6	Confident	69 Å²	69	46.5 Å²	46.5	32%	0.322	25%	0.249	S	C	.	.	H	α-helix	trans	-66.9	-32.4	176.9	-158	-116.1	142.2	0	0	112	I547 R548 E568 R569 N570	I547-E566 HydrophobicContact CB-CG 4.42Å; I547-E566 HydrophobicContact CD1-CG 4.04Å; I547-E566 HydrophobicContact CG1-CG 3.83Å; I547-E566 HydrophobicContact CG2-CG 4.17Å; I547-E566 WeakPolarHBondContact O-CG 3.34Å; R548-E566 HydrophobicContact CG-CB 4.43Å; E566-E568 VanDerWaalsContact C-N 3.31Å; E566-E568 PolarHBondContact O-N 2.82Å; E566-R569 WeakPolarHBondContact O-CB 3.39Å; E566-R569 PolarHBondContact O-N 3.22Å; E566-R569 IonicContact OE1-CZ 2.65Å; E566-R569 IonicContact OE1-NE 3.79Å; E566-R569 IonicContact OE1-NH2 2.61Å; E566-R569 PolarHBondContact OE1-NH2 3.01Å; E566-N570 VanDerWaalsContact O-CG 3.26Å; E566-N570 PolarHBondContact O-N 3.18Å; E566-N570 PolarHBondContact O-ND2 2.78Å; E566-N570 PolarHBondContact OE1-ND2 3.31Å; E566-N570 PolarHBondContact OE1-OD1 3.17Å
567	K	89.6	Confident	90.5	Very high	153 Å²	153	45.6 Å²	45.6	67%	0.665	24%	0.243	S	C	*	.	H	α-helix	trans	-59.1	-40.4	171.5	-172.6	175.2	-178	176.9	0	112.1	S565 Q571	S565-K567 VanDerWaalsContact C-N 3.29Å; S565-K567 PolarHBondContact O-N 3.14Å; K567-Q571 WeakPolarHBondContact O-CG 3.5Å; K567-Q571 PolarHBondContact O-N 3.35Å
568	E	91.3	Very high	90.9	Very high	26 Å²	26	47 Å²	47	12%	0.121	25%	0.249	C	C	.	.	H	α-helix	trans	-67.8	-45.8	174.5	-155.7	-153.9	155.9	0	0	111	S490 F563 S564 S565 E566 N570 Q571 W572	S490-E568 VanDerWaalsContact CB-OE1 3.29Å; S490-E568 WeakPolarHBondContact CB-OE1 3.18Å; S490-E568 PolarHBondContact OG-OE1 2.84Å; F563-E568 HydrophobicContact CB-CB 4.18Å; F563-E568 HydrophobicContact CD1-CG 4.28Å; F563-E568 WeakPolarHBondContact CD1-OE1 3.42Å; S564-E568 WeakPolarHBondContact CB-OE2 3.26Å; S564-E568 PolarHBondContact N-OE2 3.35Å; S564-E568 PolarHBondContact OG-OE2 3.05Å; S565-E568 WeakPolarHBondContact O-CB 3.19Å; S565-E568 PolarHBondContact O-N 2.68Å; S565-E568 PolarHBondContact OG-N 2.62Å; E566-E568 VanDerWaalsContact C-N 3.31Å; E566-E568 PolarHBondContact O-N 2.82Å; E568-N570 VanDerWaalsContact C-N 3.29Å; E568-N570 PolarHBondContact O-N 3.33Å; E568-Q571 PolarHBondContact O-N 3.01Å; E568-W572 VanDerWaalsContact O-CD1 3.31Å; E568-W572 PolarHBondContact O-N 3.45Å; E568-W572 PolarHBondContact OE1-NE1 3.19Å
569	R	92.1	Very high	91	Very high	13 Å²	13	44 Å²	44	5%	0.049	23%	0.228	C	C	.	.	H	α-helix	trans	-52.7	-45.4	174.4	-175.4	-78.7	-63.2	-106.3	11.3	111.9	M541 I547 C549 F563 S565 E566 T573	M541-R569 PolarHBondContact O-NH1 3.12Å; I547-R569 PolarHBondContact O-NE 3Å; I547-R569 PolarHBondContact O-NH1 3.37Å; I547-R569 PolarHBondContact O-NH2 2.83Å; C549-R569 WeakPolarHBondContact O-CG 3.45Å; F563-R569 HydrophobicContact CB-CB 4.34Å; F563-R569 HydrophobicContact CD2-CB 3.71Å; F563-R569 HydrophobicContact CD2-CG 3.96Å; F563-R569 HydrophobicContact CE2-CB 4.42Å; F563-R569 HydrophobicContact CE2-CG 4.4Å; F563-R569 HydrophobicContact CG-CB 4.3Å; S565-R569 PolarHBondContact O-N 3.18Å; S565-R569 VanDerWaalsContact O-N 3.12Å; E566-R569 WeakPolarHBondContact O-CB 3.39Å; E566-R569 PolarHBondContact O-N 3.22Å; E566-R569 IonicContact OE1-CZ 2.65Å; E566-R569 IonicContact OE1-NE 3.79Å; E566-R569 IonicContact OE1-NH2 2.61Å; E566-R569 PolarHBondContact OE1-NH2 3.01Å; R569-T573 PolarHBondContact O-N 2.96Å; R569-T573 PolarHBondContact O-OG1 2.93Å
570	N	91.1	Very high	91	Very high	38 Å²	38	44.6 Å²	44.6	20%	0.203	23%	0.231	C	C	.	.	H	α-helix	trans	-65.5	-52	-179.7	-69.4	-17.4	0	0	0	111.1	E566 E568 W572 T573 D574	E566-N570 VanDerWaalsContact O-CG 3.26Å; E566-N570 PolarHBondContact O-N 3.18Å; E566-N570 PolarHBondContact O-ND2 2.78Å; E566-N570 PolarHBondContact OE1-ND2 3.31Å; E566-N570 PolarHBondContact OE1-OD1 3.17Å; E568-N570 VanDerWaalsContact C-N 3.29Å; E568-N570 PolarHBondContact O-N 3.33Å; N570-W572 VanDerWaalsContact C-N 3.32Å; N570-W572 PolarHBondContact O-N 3.47Å; N570-T573 WeakPolarHBondContact O-CA 3.32Å; N570-T573 VanDerWaalsContact O-CB 3.28Å; N570-T573 WeakPolarHBondContact O-CB 3.48Å; N570-T573 PolarHBondContact O-N 2.78Å; N570-D574 PolarHBondContact O-N 3.24Å
571	Q	92.4	Very high	90.7	Very high	78 Å²	78	50.1 Å²	50.1	36%	0.364	25%	0.25	S	C	.	.	H	α-helix	trans	-56.1	-42.6	176.7	-71.8	-178.3	8.9	0	0	113.2	K567 E568 T573 D574 D575	K567-Q571 WeakPolarHBondContact O-CG 3.5Å; K567-Q571 PolarHBondContact O-N 3.35Å; E568-Q571 PolarHBondContact O-N 3.01Å; Q571-T573 VanDerWaalsContact C-N 3.32Å; Q571-T573 PolarHBondContact O-N 2.58Å; Q571-D574 PolarHBondContact O-N 3.03Å; Q571-D575 PolarHBondContact O-N 3.42Å
572	W	93.9	Very high	89.9	Confident	1 Å²	1	54.2 Å²	54.2	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-62.2	-37.5	173.9	-89	99.7	0	0	0	112.8	R488 S490 L505 L507 L512 F563 E568 N570 L576	R488-W572 HydrophobicContact CB-CH2 4.15Å; R488-W572 HydrophobicContact CB-CZ2 4.24Å; R488-W572 HydrophobicContact CB-CZ3 4.5Å; R488-W572 HydrophobicContact CG-CD2 4.4Å; R488-W572 HydrophobicContact CG-CH2 4.07Å; R488-W572 HydrophobicContact CG-CZ2 3.64Å; S490-W572 WeakPolarHBondContact OG-CZ2 3.3Å; S490-W572 PolarHBondContact OG-NE1 2.82Å; L505-W572 HydrophobicContact CB-CH2 3.31Å; L505-W572 HydrophobicContact CB-CZ2 3.73Å; L505-W572 HydrophobicContact CB-CZ3 3.97Å; L505-W572 HydrophobicContact CD1-CD2 4.34Å; L505-W572 HydrophobicContact CD1-CE3 4.12Å; L505-W572 HydrophobicContact CD1-CH2 3.87Å; L505-W572 HydrophobicContact CD1-CZ2 4.04Å; L505-W572 HydrophobicContact CD1-CZ3 3.86Å; L505-W572 HydrophobicContact CG-CH2 4.25Å; L505-W572 HydrophobicContact CG-CZ2 4.5Å; L507-W572 HydrophobicContact CB-CH2 4.26Å; L507-W572 HydrophobicContact CB-CZ3 3.78Å; L507-W572 HydrophobicContact CD2-CZ3 4.42Å; L512-W572 HydrophobicContact CD1-CZ3 3.96Å; F563-W572 AromaticContact CD1-CD1 3.66Å; F563-W572 HydrophobicContact CD1-CG 4.34Å; F563-W572 AromaticContact CD1-NE1 3.92Å; F563-W572 HydrophobicContact CE1-CB 4.11Å; F563-W572 AromaticContact CE1-CD1 3.17Å; F563-W572 AromaticContact CE1-CD2 3.86Å; F563-W572 HydrophobicContact CE1-CD2 3.86Å; F563-W572 AromaticContact CE1-CE2 3.86Å; F563-W572 AromaticContact CE1-CG 3.48Å; F563-W572 HydrophobicContact CE1-CG 3.48Å; F563-W572 VanDerWaalsContact CE1-CG 3.48Å; F563-W572 AromaticContact CE1-NE1 3.4Å; F563-W572 HydrophobicContact CE2-CB 4.31Å; F563-W572 HydrophobicContact CZ-CB 3.73Å; F563-W572 AromaticContact CZ-CD1 3.74Å; F563-W572 HydrophobicContact CZ-CD2 4.07Å; F563-W572 AromaticContact CZ-CG 3.58Å; F563-W572 HydrophobicContact CZ-CG 3.58Å; E568-W572 VanDerWaalsContact O-CD1 3.31Å; E568-W572 PolarHBondContact O-N 3.45Å; E568-W572 PolarHBondContact OE1-NE1 3.19Å; N570-W572 VanDerWaalsContact C-N 3.32Å; N570-W572 PolarHBondContact O-N 3.47Å; W572-L576 VanDerWaalsContact O-CB 3.27Å; W572-L576 WeakPolarHBondContact O-CB 3.35Å; W572-L576 WeakPolarHBondContact O-CD1 3.27Å; W572-L576 WeakPolarHBondContact O-CG 3.45Å; W572-L576 PolarHBondContact O-N 2.73Å; W572-L576 VanDerWaalsContact O-N 3.09Å
573	T	91.3	Very high	89.3	Confident	8 Å²	8	56 Å²	56	5%	0.049	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-42.8	175.9	-46.3	0	0	0	0	111.1	F538 R540 L550 R569 N570 Q571 L576 T577	F538-T573 HydrophobicContact CD2-CG2 3.93Å; F538-T573 HydrophobicContact CE2-CG2 3.6Å; R540-T573 HydrophobicContact CG-CG2 4.22Å; R540-T573 PolarHBondContact NE-OG1 2.84Å; L550-T573 HydrophobicContact CD1-CG2 4.43Å; R569-T573 PolarHBondContact O-N 2.96Å; R569-T573 PolarHBondContact O-OG1 2.93Å; N570-T573 WeakPolarHBondContact O-CA 3.32Å; N570-T573 VanDerWaalsContact O-CB 3.28Å; N570-T573 WeakPolarHBondContact O-CB 3.48Å; N570-T573 PolarHBondContact O-N 2.78Å; Q571-T573 VanDerWaalsContact C-N 3.32Å; Q571-T573 PolarHBondContact O-N 2.58Å; T573-L576 PolarHBondContact O-N 2.71Å; T573-T577 WeakPolarHBondContact O-CB 3.47Å; T573-T577 PolarHBondContact O-N 2.77Å; T573-T577 PolarHBondContact O-OG1 2.69Å
574	D	92.1	Very high	88.6	Confident	85 Å²	85	60.4 Å²	60.4	46%	0.455	30%	0.296	S	S	.	.	H	α-helix	trans	-71.1	-42.9	-173.8	-56.1	-21.5	0	0	0	110.7	R540 N570 Q571 T577 K578	R540-D574 IonicContact NH2-OD1 3.63Å; R540-D574 PolarHBondContact NH2-OD1 3.43Å; N570-D574 PolarHBondContact O-N 3.24Å; Q571-D574 PolarHBondContact O-N 3.03Å; D574-T577 WeakPolarHBondContact O-CB 3.39Å; D574-T577 PolarHBondContact O-N 3.11Å; D574-K578 WeakPolarHBondContact O-CB 3.32Å; D574-K578 PolarHBondContact O-N 3.21Å
575	D	91.9	Very high	87.7	Confident	32 Å²	32	57.8 Å²	57.8	17%	0.171	28%	0.278	C	S	.	.	H	α-helix	trans	-64	-40.7	173.2	-79	-28.5	0	0	0	112.5	I487 R488 L507 Q571 T577 K578 A579	I487-D575 HydrophobicContact CG2-CB 4Å; R488-D575 IonicContact CZ-OD2 3.93Å; R488-D575 IonicContact NE-OD2 2.82Å; R488-D575 PolarHBondContact NE-OD2 2.88Å; R488-D575 IonicContact NH2-OD2 3.64Å; R488-D575 PolarHBondContact NH2-OD2 2.81Å; L507-D575 HydrophobicContact CD2-CB 4.1Å; Q571-D575 PolarHBondContact O-N 3.42Å; D575-T577 VanDerWaalsContact C-N 3.33Å; D575-T577 PolarHBondContact O-N 3.29Å; D575-K578 PolarHBondContact O-N 3.02Å; D575-A579 VanDerWaalsContact O-CB 3.28Å; D575-A579 WeakPolarHBondContact O-CB 3.26Å; D575-A579 PolarHBondContact O-N 3.17Å
576	L	92.6	Very high	86.6	Confident	1 Å²	1	57.6 Å²	57.6	1%	0.005	27%	0.269	C	S	.	.	H	α-helix	trans	-63.4	-39	173.8	-78.1	169.2	0	0	0	112	L507 L512 L533 M536 F538 L550 W572 T573 Q580	L507-L576 HydrophobicContact CD1-CD2 3.62Å; L507-L576 HydrophobicContact CD2-CD2 3.94Å; L507-L576 HydrophobicContact CD2-CG 4.16Å; L507-L576 HydrophobicContact CG-CD2 4.42Å; L512-L576 HydrophobicContact CD2-CD2 4.39Å; L533-L576 HydrophobicContact CD2-CD2 4.09Å; M536-L576 HydrophobicContact CE-CD1 3.67Å; M536-L576 HydrophobicContact CE-CD2 3.63Å; M536-L576 HydrophobicContact CE-CG 4.26Å; M536-L576 HydrophobicContact SD-CD2 4.26Å; F538-L576 HydrophobicContact CD1-CB 4.13Å; F538-L576 HydrophobicContact CD1-CD1 4.38Å; F538-L576 HydrophobicContact CE1-CB 3.7Å; F538-L576 HydrophobicContact CE2-CB 4.42Å; F538-L576 HydrophobicContact CG-CD1 4.43Å; F538-L576 HydrophobicContact CZ-CB 3.87Å; L550-L576 HydrophobicContact CD2-CD1 3.78Å; W572-L576 VanDerWaalsContact O-CB 3.27Å; W572-L576 WeakPolarHBondContact O-CB 3.35Å; W572-L576 WeakPolarHBondContact O-CD1 3.27Å; W572-L576 WeakPolarHBondContact O-CG 3.45Å; W572-L576 PolarHBondContact O-N 2.73Å; W572-L576 VanDerWaalsContact O-N 3.09Å; T573-L576 PolarHBondContact O-N 2.71Å; L576-Q580 WeakPolarHBondContact O-CB 3.2Å; L576-Q580 WeakPolarHBondContact O-CG 3.42Å; L576-Q580 PolarHBondContact O-N 3.37Å
577	T	90.4	Very high	85.6	Confident	72 Å²	72	58 Å²	58	44%	0.442	27%	0.27	S	S	.	.	H	α-helix	trans	-64.2	-48.4	177.3	-57.8	0	0	0	0	110.9	F538 T573 D574 D575 Q580 Y581	F538-T577 WeakPolarHBondContact CZ-OG1 3.05Å; T573-T577 WeakPolarHBondContact O-CB 3.47Å; T573-T577 PolarHBondContact O-N 2.77Å; T573-T577 PolarHBondContact O-OG1 2.69Å; D574-T577 WeakPolarHBondContact O-CB 3.39Å; D574-T577 PolarHBondContact O-N 3.11Å; D575-T577 VanDerWaalsContact C-N 3.33Å; D575-T577 PolarHBondContact O-N 3.29Å; T577-Q580 PolarHBondContact O-N 3.08Å; T577-Y581 WeakPolarHBondContact O-CB 3.45Å; T577-Y581 PolarHBondContact O-N 3.43Å
578	K	86.9	Confident	84.6	Confident	135 Å²	135	59 Å²	59	59%	0.587	27%	0.27	S	S	*	.	H	α-helix	trans	-59.4	-52	176.1	-176.7	-178.3	177.3	-173.8	0	111.8	D574 D575 Q580 Y581 D582	D574-K578 WeakPolarHBondContact O-CB 3.32Å; D574-K578 PolarHBondContact O-N 3.21Å; D575-K578 PolarHBondContact O-N 3.02Å; K578-Q580 VanDerWaalsContact C-N 3.3Å; K578-Q580 PolarHBondContact O-N 3.44Å; K578-Y581 WeakPolarHBondContact O-CB 3.31Å; K578-Y581 PolarHBondContact O-N 3.27Å; K578-D582 PolarHBondContact O-N 3.25Å
579	A	86.4	Confident	83.5	Confident	4 Å²	4	61.9 Å²	61.9	3%	0.033	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-38.9	-179.9	0	0	0	0	0	112.6	I487 L533 D575 R583	I487-A579 HydrophobicContact CD1-CB 3.62Å; L533-A579 HydrophobicContact CD1-CB 3.64Å; D575-A579 VanDerWaalsContact O-CB 3.28Å; D575-A579 WeakPolarHBondContact O-CB 3.26Å; D575-A579 PolarHBondContact O-N 3.17Å; A579-R583 VanDerWaalsContact O-CB 3.31Å; A579-R583 WeakPolarHBondContact O-CB 3.26Å; A579-R583 PolarHBondContact O-N 3.43Å; A579-R583 VanDerWaalsContact O-N 3.14Å
580	Q	88.1	Confident	82.1	Confident	17 Å²	17	64.4 Å²	64.4	8%	0.079	29%	0.292	C	S	.	.	H	α-helix	trans	-66.7	-41.5	172.4	-78	-157.2	13.7	0	0	113.3	L533 M536 F538 L576 T577 K578 R583 K584	L533-Q580 HydrophobicContact CB-CG 4.34Å; L533-Q580 PolarHBondContact O-NE2 2.64Å; M536-Q580 PolarHBondContact O-NE2 2.98Å; F538-Q580 HydrophobicContact CE1-CG 4.39Å; L576-Q580 WeakPolarHBondContact O-CB 3.2Å; L576-Q580 WeakPolarHBondContact O-CG 3.42Å; L576-Q580 PolarHBondContact O-N 3.37Å; T577-Q580 PolarHBondContact O-N 3.08Å; K578-Q580 VanDerWaalsContact C-N 3.3Å; K578-Q580 PolarHBondContact O-N 3.44Å; Q580-R583 PolarHBondContact O-N 2.92Å; Q580-K584 WeakPolarHBondContact O-CB 3.5Å; Q580-K584 WeakPolarHBondContact O-CD 3.42Å; Q580-K584 VanDerWaalsContact O-CG 3.23Å; Q580-K584 WeakPolarHBondContact O-CG 3.3Å; Q580-K584 PolarHBondContact O-N 2.91Å
581	Y	84.3	Confident	80.8	Confident	153 Å²	153	66.1 Å²	66.1	60%	0.6	31%	0.307	S	S	*	.	H	α-helix	trans	-61.1	-47.9	178.8	178.3	-90.7	0	0	0	111.2	T577 K578 R583 K584 S585	T577-Y581 WeakPolarHBondContact O-CB 3.45Å; T577-Y581 PolarHBondContact O-N 3.43Å; K578-Y581 WeakPolarHBondContact O-CB 3.31Å; K578-Y581 PolarHBondContact O-N 3.27Å; Y581-R583 PolarHBondContact O-N 3.1Å; Y581-K584 PolarHBondContact O-N 3.28Å; Y581-S585 VanDerWaalsContact O-CB 3.32Å; Y581-S585 WeakPolarHBondContact O-CB 3.41Å; Y581-S585 PolarHBondContact O-N 2.98Å; Y581-S585 PolarHBondContact O-OG 3.05Å
582	D	77.4	Confident	79.7	Confident	86 Å²	86	65 Å²	65	46%	0.46	31%	0.306	S	S	.	.	H	α-helix	trans	-62.5	-44.2	179.5	-67.1	-26.3	0	0	0	111.2	K578 K584 S585 Y586	K578-D582 PolarHBondContact O-N 3.25Å; D582-K584 PolarHBondContact O-N 3.08Å; D582-S585 PolarHBondContact O-N 3.1Å; D582-Y586 WeakPolarHBondContact O-CB 3.34Å; D582-Y586 PolarHBondContact O-N 3.42Å
583	R	78.9	Confident	78.1	Confident	70 Å²	70	65 Å²	65	26%	0.264	31%	0.306	S	S	.	.	H	α-helix	trans	-61.5	-41.9	176.8	-170.8	67.1	177.7	-161.4	-2	112.7	A579 Q580 Y581 K587	A579-R583 VanDerWaalsContact O-CB 3.31Å; A579-R583 WeakPolarHBondContact O-CB 3.26Å; A579-R583 PolarHBondContact O-N 3.43Å; A579-R583 VanDerWaalsContact O-N 3.14Å; Q580-R583 PolarHBondContact O-N 2.92Å; Y581-R583 PolarHBondContact O-N 3.1Å; R583-K587 PolarHBondContact O-N 2.81Å
584	K	78.5	Confident	76.9	Confident	97 Å²	97	66.2 Å²	66.2	42%	0.422	31%	0.313	S	S	.	.	H	α-helix	trans	-69.5	-41.9	177.2	-73.4	164.6	-179.6	166.4	0	111.6	Q580 Y581 D582 Y586 K587 R588	Q580-K584 WeakPolarHBondContact O-CB 3.5Å; Q580-K584 WeakPolarHBondContact O-CD 3.42Å; Q580-K584 VanDerWaalsContact O-CG 3.23Å; Q580-K584 WeakPolarHBondContact O-CG 3.3Å; Q580-K584 PolarHBondContact O-N 2.91Å; Y581-K584 PolarHBondContact O-N 3.28Å; D582-K584 PolarHBondContact O-N 3.08Å; K584-Y586 PolarHBondContact O-N 3.36Å; K584-K587 PolarHBondContact O-N 3.45Å; K584-R588 WeakPolarHBondContact O-CG 3.36Å; K584-R588 PolarHBondContact O-N 3.25Å
585	S	71.5	Confident	75.8	Confident	27 Å²	27	64.6 Å²	64.6	19%	0.189	30%	0.303	C	S	.	.	H	α-helix	trans	-65.9	-35.9	178.4	-64.4	0	0	0	0	112.6	Y581 D582 R588 R589	Y581-S585 VanDerWaalsContact O-CB 3.32Å; Y581-S585 WeakPolarHBondContact O-CB 3.41Å; Y581-S585 PolarHBondContact O-N 2.98Å; Y581-S585 PolarHBondContact O-OG 3.05Å; D582-S585 PolarHBondContact O-N 3.1Å; S585-R588 PolarHBondContact O-N 3.5Å; S585-R589 PolarHBondContact O-N 2.91Å
586	Y	68	Low	74.6	Confident	44 Å²	44	67.1 Å²	67.1	17%	0.173	31%	0.31	C	S	.	.	H	α-helix	trans	-61.3	-50.6	170	174.4	-109.5	0	0	0	112.5	A404 Q407 D582 K584 R588 R589 Q590	A404-Y586 HydrophobicContact CB-CE2 3.54Å; A404-Y586 WeakPolarHBondContact CB-OH 3.02Å; A404-Y586 PolarHBondContact N-OH 3.1Å; Q407-Y586 PolarHBondContact OE1-OH 2.8Å; D582-Y586 WeakPolarHBondContact O-CB 3.34Å; D582-Y586 PolarHBondContact O-N 3.42Å; K584-Y586 PolarHBondContact O-N 3.36Å; Y586-R588 VanDerWaalsContact C-N 3.29Å; Y586-R588 PolarHBondContact O-N 2.91Å; Y586-R589 PolarHBondContact O-N 3.33Å; Y586-Q590 PolarHBondContact O-N 2.76Å
587	K	67.6	Low	73.2	Confident	77 Å²	77	68.9 Å²	68.9	34%	0.335	32%	0.318	S	S	.	.	H	α-helix	trans	-57.1	-38.1	176.6	-82.9	-78.7	-177.7	112.5	0	113	E534 R583 K584 S591	E534-K587 IonicContact OE1-NZ 2.72Å; E534-K587 PolarHBondContact OE1-NZ 3.26Å; E534-K587 WeakPolarHBondContact OE2-CE 3.42Å; E534-K587 IonicContact OE2-NZ 3.48Å; E534-K587 PolarHBondContact OE2-NZ 2.93Å; R583-K587 PolarHBondContact O-N 2.81Å; K584-K587 PolarHBondContact O-N 3.45Å; K587-S591 PolarHBondContact O-N 3.42Å; K587-S591 VanDerWaalsContact O-N 3.08Å
588	R	69.8	Low	72.1	Confident	176 Å²	176	68.8 Å²	68.8	66%	0.664	32%	0.315	S	S	*	.	H	α-helix	trans	-63.2	-49.7	177.3	-74.8	177	177.2	175.5	-1.6	112.5	K584 S585 Y586 Q590 S591 T592	K584-R588 WeakPolarHBondContact O-CG 3.36Å; K584-R588 PolarHBondContact O-N 3.25Å; S585-R588 PolarHBondContact O-N 3.5Å; Y586-R588 VanDerWaalsContact C-N 3.29Å; Y586-R588 PolarHBondContact O-N 2.91Å; R588-Q590 VanDerWaalsContact C-N 3.32Å; R588-Q590 PolarHBondContact O-N 3.47Å; R588-S591 PolarHBondContact O-N 2.64Å; R588-S591 VanDerWaalsContact O-N 3.11Å; R588-T592 PolarHBondContact O-N 3.45Å; R588-T592 VanDerWaalsContact O-N 3.09Å; R588-T592 PolarHBondContact O-OG1 3.02Å
589	R	67.1	Low	71.2	Confident	86 Å²	86	64.8 Å²	64.8	33%	0.325	30%	0.298	S	S	.	.	H	α-helix	trans	-57.3	-46.2	177	-73.8	-171.3	-75.4	-177.2	0.3	111.6	N380 S585 Y586 S591 T592 A593	N380-R589 PolarHBondContact OD1-NH1 2.83Å; S585-R589 PolarHBondContact O-N 2.91Å; Y586-R589 PolarHBondContact O-N 3.33Å; R589-S591 VanDerWaalsContact C-N 3.33Å; R589-S591 PolarHBondContact O-N 2.82Å; R589-T592 PolarHBondContact O-N 3.42Å; R589-A593 PolarHBondContact O-N 2.91Å; R589-A593 VanDerWaalsContact O-N 3.16Å
590	Q	63.8	Low	70.1	Confident	66 Å²	66	67.3 Å²	67.3	31%	0.308	31%	0.311	S	S	.	.	H	α-helix	trans	-53.9	-44.1	173.7	160.2	163.2	101.1	0	0	112.9	Y390 Y586 R588 V594	Y390-Q590 HydrophobicContact CE2-CB 3.92Å; Y390-Q590 HydrophobicContact CE2-CG 3.75Å; Y390-Q590 VanDerWaalsContact CZ-O 3.28Å; Y586-Q590 PolarHBondContact O-N 2.76Å; R588-Q590 VanDerWaalsContact C-N 3.32Å; R588-Q590 PolarHBondContact O-N 3.47Å; Q590-V594 WeakPolarHBondContact O-CG2 3.4Å; Q590-V594 PolarHBondContact O-N 2.9Å
591	S	64.6	Low	69	Low	74 Å²	74	71.4 Å²	71.4	52%	0.517	33%	0.329	S	S	.	.	H	α-helix	trans	-66.8	-47.5	179.4	-164.2	0	0	0	0	112.7	K587 R588 R589 A593 V594 Q595	K587-S591 PolarHBondContact O-N 3.42Å; K587-S591 VanDerWaalsContact O-N 3.08Å; R588-S591 PolarHBondContact O-N 2.64Å; R588-S591 VanDerWaalsContact O-N 3.11Å; R589-S591 VanDerWaalsContact C-N 3.33Å; R589-S591 PolarHBondContact O-N 2.82Å; S591-A593 VanDerWaalsContact C-N 3.29Å; S591-A593 PolarHBondContact O-N 3.46Å; S591-V594 PolarHBondContact O-N 3.25Å; S591-Q595 PolarHBondContact O-N 3.09Å
592	T	67.6	Low	68.3	Low	55 Å²	55	69.4 Å²	69.4	34%	0.337	32%	0.323	S	S	.	.	H	α-helix	trans	-60	-37.9	-178.2	-56.1	0	0	0	0	112.5	R588 R589 Q595 R596	R588-T592 PolarHBondContact O-N 3.45Å; R588-T592 VanDerWaalsContact O-N 3.09Å; R588-T592 PolarHBondContact O-OG1 3.02Å; R589-T592 PolarHBondContact O-N 3.42Å; T592-Q595 PolarHBondContact O-N 2.72Å; T592-R596 PolarHBondContact O-N 3.45Å
593	A	61.4	Low	67.9	Low	1 Å²	1	71 Å²	71	1%	0.008	33%	0.326	C	S	.	.	H	α-helix	trans	-73.2	-33.3	-178.9	0	0	0	0	0	113.3	Y390 R589 S591 Q595 R596 H597	Y390-A593 HydrophobicContact CD1-CB 3.3Å; Y390-A593 HydrophobicContact CD2-CB 4.01Å; Y390-A593 HydrophobicContact CE1-CB 4.08Å; Y390-A593 HydrophobicContact CG-CB 3.27Å; R589-A593 PolarHBondContact O-N 2.91Å; R589-A593 VanDerWaalsContact O-N 3.16Å; S591-A593 VanDerWaalsContact C-N 3.29Å; S591-A593 PolarHBondContact O-N 3.46Å; A593-Q595 VanDerWaalsContact C-N 3.32Å; A593-Q595 PolarHBondContact O-N 2.94Å; A593-R596 PolarHBondContact O-N 3.5Å; A593-H597 PolarHBondContact O-N 3.18Å; A593-H597 VanDerWaalsContact O-N 3.15Å
594	V	66.4	Low	66.8	Low	33 Å²	33	72.2 Å²	72.2	20%	0.2	34%	0.336	C	S	.	.	H	α-helix	trans	-55.9	-49.6	168.3	179.6	0	0	0	0	110.2	Y390 Q590 S591 R596 H597 D598	Y390-V594 HydrophobicContact CE1-CB 4.24Å; Y390-V594 HydrophobicContact CE1-CG2 3.45Å; Y390-V594 VanDerWaalsContact CE1-CG2 3.45Å; Y390-V594 WeakPolarHBondContact OH-CG2 3.41Å; Q590-V594 WeakPolarHBondContact O-CG2 3.4Å; Q590-V594 PolarHBondContact O-N 2.9Å; S591-V594 PolarHBondContact O-N 3.25Å; V594-R596 VanDerWaalsContact C-N 3.34Å; V594-R596 PolarHBondContact O-N 3.43Å; V594-H597 PolarHBondContact O-N 3.46Å; V594-D598 PolarHBondContact O-N 2.88Å
595	Q	68.3	Low	65.9	Low	51 Å²	51	71.4 Å²	71.4	24%	0.238	34%	0.336	C	S	.	.	H	α-helix	trans	-62.7	-42.5	-173.6	-175.9	-179.9	-18.5	0	0	111.6	S591 T592 A593 D598 E599 L649	S591-Q595 PolarHBondContact O-N 3.09Å; T592-Q595 PolarHBondContact O-N 2.72Å; A593-Q595 VanDerWaalsContact C-N 3.32Å; A593-Q595 PolarHBondContact O-N 2.94Å; Q595-D598 PolarHBondContact O-N 3.03Å; Q595-E599 WeakPolarHBondContact CG-OE1 3.45Å; Q595-E599 PolarHBondContact NE2-OE1 3.03Å; Q595-E599 WeakPolarHBondContact O-CB 3.29Å; Q595-E599 WeakPolarHBondContact O-CG 3.15Å; Q595-E599 PolarHBondContact O-N 2.74Å; Q595-L649 VanDerWaalsContact OE1-CG 3.26Å
596	R	66.3	Low	65.4	Low	84 Å²	84	75.7 Å²	75.7	32%	0.317	35%	0.351	S	S	.	.	H	α-helix	trans	-63.5	-45	177.1	-66.6	-178.5	-171.2	148.7	6.3	112.2	E387 T592 A593 V594 D598 E599 N600	E387-R596 VanDerWaalsContact OE2-CB 3.22Å; E387-R596 WeakPolarHBondContact OE2-CB 3.16Å; T592-R596 PolarHBondContact O-N 3.45Å; A593-R596 PolarHBondContact O-N 3.5Å; V594-R596 VanDerWaalsContact C-N 3.34Å; V594-R596 PolarHBondContact O-N 3.43Å; R596-D598 PolarHBondContact O-N 2.95Å; R596-E599 CarbonylContact O-C 3.52Å; R596-E599 PolarHBondContact O-N 2.73Å; R596-N600 WeakPolarHBondContact O-CB 2.95Å; R596-N600 VanDerWaalsContact O-CG 3.24Å; R596-N600 PolarHBondContact O-N 3.07Å; R596-N600 PolarHBondContact O-ND2 2.86Å
597	H	63.9	Low	64.8	Low	38 Å²	38	79.8 Å²	79.8	18%	0.176	38%	0.376	C	S	.	.	H	α-helix	trans	-59.2	-46.5	174.4	164.5	-92.9	0	0	0	111.6	E387 M391 A593 V594 E599 N600 K601	E387-H597 WeakPolarHBondContact OE1-CA 3.48Å; M391-H597 HydrophobicContact CE-CB 4.45Å; M391-H597 VanDerWaalsContact CE-CD2 3.49Å; M391-H597 WeakPolarHBondContact CE-CD2 3.43Å; M391-H597 HydrophobicContact CG-CB 3.98Å; M391-H597 HydrophobicContact SD-CB 3.38Å; M391-H597 WeakPolarHBondContact SD-CB 3.26Å; M391-H597 VanDerWaalsContact SD-CD2 3.53Å; A593-H597 PolarHBondContact O-N 3.18Å; A593-H597 VanDerWaalsContact O-N 3.15Å; V594-H597 PolarHBondContact O-N 3.46Å; H597-E599 VanDerWaalsContact C-N 3.26Å; H597-E599 PolarHBondContact O-N 2.62Å; H597-N600 CarbonylContact O-C 3.57Å; H597-N600 PolarHBondContact O-N 2.72Å; H597-N600 VanDerWaalsContact O-N 3.09Å; H597-K601 VanDerWaalsContact O-CB 3.3Å; H597-K601 WeakPolarHBondContact O-CB 3.43Å; H597-K601 PolarHBondContact O-N 3.41Å
598	D	66.6	Low	64	Low	70 Å²	70	81.5 Å²	81.5	37%	0.374	39%	0.388	S	S	.	.	H	α-helix	trans	-65.9	-31	-179.2	-79.1	-1.2	0	0	0	112	V594 Q595 R596 K602	V594-D598 PolarHBondContact O-N 2.88Å; Q595-D598 PolarHBondContact O-N 3.03Å; R596-D598 PolarHBondContact O-N 2.95Å; D598-K602 WeakPolarHBondContact O-CB 3.37Å; D598-K602 WeakPolarHBondContact O-CD 3.36Å; D598-K602 WeakPolarHBondContact O-CG 3.47Å; D598-K602 PolarHBondContact O-N 3.4Å; D598-K602 VanDerWaalsContact O-N 3.16Å
599	E	69.6	Low	62.9	Low	51 Å²	51	81 Å²	81	24%	0.238	40%	0.395	C	S	.	.	H	α-helix	trans	-69.9	-41.9	168.7	-73	177	-157.7	0	0	112.3	Q595 R596 H597 K602 K603 V646	Q595-E599 WeakPolarHBondContact CG-OE1 3.45Å; Q595-E599 PolarHBondContact NE2-OE1 3.03Å; Q595-E599 WeakPolarHBondContact O-CB 3.29Å; Q595-E599 WeakPolarHBondContact O-CG 3.15Å; Q595-E599 PolarHBondContact O-N 2.74Å; R596-E599 CarbonylContact O-C 3.52Å; R596-E599 PolarHBondContact O-N 2.73Å; H597-E599 VanDerWaalsContact C-N 3.26Å; H597-E599 PolarHBondContact O-N 2.62Å; E599-K602 PolarHBondContact O-N 3.37Å; E599-K603 VanDerWaalsContact O-CG 3.3Å; E599-K603 WeakPolarHBondContact O-CG 3.41Å; E599-K603 PolarHBondContact O-N 3.22Å; E599-V646 HydrophobicContact CG-CG1 3.84Å
600	N	62.2	Low	62	Low	57 Å²	57	82.6 Å²	82.6	31%	0.305	41%	0.409	S	S	.	.	H	α-helix	trans	-70.9	-38.4	-179.8	-72	-21.2	0	0	0	112.4	E387 R596 H597 K603 M604	E387-N600 VanDerWaalsContact CD-ND2 3.3Å; E387-N600 PolarHBondContact OE1-ND2 3.37Å; E387-N600 PolarHBondContact OE2-ND2 3.09Å; E387-N600 VanDerWaalsContact OE2-ND2 3.1Å; R596-N600 WeakPolarHBondContact O-CB 2.95Å; R596-N600 VanDerWaalsContact O-CG 3.24Å; R596-N600 PolarHBondContact O-N 3.07Å; R596-N600 PolarHBondContact O-ND2 2.86Å; H597-N600 CarbonylContact O-C 3.57Å; H597-N600 PolarHBondContact O-N 2.72Å; H597-N600 VanDerWaalsContact O-N 3.09Å; N600-K603 WeakPolarHBondContact O-CB 3.41Å; N600-K603 PolarHBondContact O-N 3.11Å; N600-K603 PolarHBondContact OD1-NZ 3.12Å; N600-M604 WeakPolarHBondContact O-CB 3.18Å; N600-M604 PolarHBondContact O-N 2.97Å
601	K	65.5	Low	60.7	Low	103 Å²	103	83.9 Å²	83.9	45%	0.448	42%	0.422	S	S	.	.	H	α-helix	trans	-63.1	-39.4	169.4	-176	170.2	-179.6	173.9	0	111.6	H597 M604 N605	H597-K601 VanDerWaalsContact O-CB 3.3Å; H597-K601 WeakPolarHBondContact O-CB 3.43Å; H597-K601 PolarHBondContact O-N 3.41Å; K601-M604 PolarHBondContact O-N 2.91Å; K601-N605 VanDerWaalsContact O-CB 3.3Å; K601-N605 WeakPolarHBondContact O-CB 3.47Å; K601-N605 PolarHBondContact O-N 2.84Å; K601-N605 PolarHBondContact O-OD1 2.84Å
602	K	70.3	Confident	59.3	Low	112 Å²	112	85.9 Å²	85.9	49%	0.487	43%	0.433	S	S	.	.	H	α-helix	trans	-64.9	-39.5	171.5	-74.1	163.2	-165.2	162.1	0	112.2	D598 E599 K606	D598-K602 WeakPolarHBondContact O-CB 3.37Å; D598-K602 WeakPolarHBondContact O-CD 3.36Å; D598-K602 WeakPolarHBondContact O-CG 3.47Å; D598-K602 PolarHBondContact O-N 3.4Å; D598-K602 VanDerWaalsContact O-N 3.16Å; E599-K602 PolarHBondContact O-N 3.37Å; K602-K606 VanDerWaalsContact O-CB 3.25Å; K602-K606 WeakPolarHBondContact O-CB 3.39Å; K602-K606 PolarHBondContact O-N 2.91Å
603	K	68.2	Low	57.6	Low	120 Å²	120	92.5 Å²	92.5	52%	0.522	46%	0.46	S	S	.	.	H	α-helix	trans	-63.4	-47.7	173.6	-67.9	164.6	-155.6	163.2	0	111.5	E599 N600 K606 L607	E599-K603 VanDerWaalsContact O-CG 3.3Å; E599-K603 WeakPolarHBondContact O-CG 3.41Å; E599-K603 PolarHBondContact O-N 3.22Å; N600-K603 WeakPolarHBondContact O-CB 3.41Å; N600-K603 PolarHBondContact O-N 3.11Å; N600-K603 PolarHBondContact OD1-NZ 3.12Å; K603-K606 PolarHBondContact O-N 2.93Å; K603-L607 PolarHBondContact O-N 2.75Å
604	M	56.1	Low	56.2	Low	95 Å²	95	98.5 Å²	98.5	47%	0.468	50%	0.496	S	S	.	.	H	α-helix	trans	-63.3	-46.7	179.5	-173.6	177.7	69.3	0	0	111.7	N600 K601 K606 L607 L608	N600-M604 WeakPolarHBondContact O-CB 3.18Å; N600-M604 PolarHBondContact O-N 2.97Å; K601-M604 PolarHBondContact O-N 2.91Å; M604-K606 VanDerWaalsContact C-N 3.3Å; M604-K606 PolarHBondContact O-N 2.92Å; M604-L607 WeakPolarHBondContact O-CB 3.28Å; M604-L607 PolarHBondContact O-N 2.89Å; M604-L607 VanDerWaalsContact O-N 3.11Å; M604-L608 HydrophobicContact CG-CD1 4.29Å; M604-L608 PolarHBondContact O-N 3.01Å
605	N	58.7	Low	54.6	Low	80 Å²	80	102.2 Å²	102.2	43%	0.428	52%	0.521	S	S	.	.	H	α-helix	trans	-63.1	-35.2	173.6	-74.6	23.1	0	0	0	112	K601 L607 L608 M609	K601-N605 VanDerWaalsContact O-CB 3.3Å; K601-N605 WeakPolarHBondContact O-CB 3.47Å; K601-N605 PolarHBondContact O-N 2.84Å; K601-N605 PolarHBondContact O-OD1 2.84Å; N605-L607 VanDerWaalsContact C-N 3.33Å; N605-L608 PolarHBondContact O-N 3.43Å; N605-M609 WeakPolarHBondContact O-CB 3.36Å; N605-M609 WeakPolarHBondContact O-CG 3.41Å; N605-M609 PolarHBondContact O-N 2.85Å
606	K	62.3	Low	52.9	Low	116 Å²	116	107.9 Å²	107.9	50%	0.504	55%	0.553	S	S	.	*	H	α-helix	trans	-67.3	-33.8	173.3	-174	173.8	-179.5	180	0	112	K602 K603 M604 M609 L610	K602-K606 VanDerWaalsContact O-CB 3.25Å; K602-K606 WeakPolarHBondContact O-CB 3.39Å; K602-K606 PolarHBondContact O-N 2.91Å; K603-K606 PolarHBondContact O-N 2.93Å; M604-K606 VanDerWaalsContact C-N 3.3Å; M604-K606 PolarHBondContact O-N 2.92Å; K606-M609 CarbonylContact O-C 3.56Å; K606-M609 PolarHBondContact O-N 2.89Å; K606-L610 HydrophobicContact CG-CD1 4.07Å; K606-L610 WeakPolarHBondContact O-CD1 3.33Å; K606-L610 VanDerWaalsContact O-CG 3.26Å; K606-L610 WeakPolarHBondContact O-CG 3.13Å; K606-L610 PolarHBondContact O-N 3.31Å
607	L	54.8	Low	51.1	Low	131 Å²	131	108 Å²	108	69%	0.686	57%	0.572	S	S	*	*	H	α-helix	trans	-67.1	-44.1	174.3	-139.4	74.1	0	0	0	111.3	K603 M604 N605 M609 L610 T611	K603-L607 PolarHBondContact O-N 2.75Å; M604-L607 WeakPolarHBondContact O-CB 3.28Å; M604-L607 PolarHBondContact O-N 2.89Å; M604-L607 VanDerWaalsContact O-N 3.11Å; N605-L607 VanDerWaalsContact C-N 3.33Å; L607-M609 PolarHBondContact O-N 2.77Å; L607-L610 PolarHBondContact O-N 3Å; L607-L610 VanDerWaalsContact O-N 3.09Å; L607-T611 PolarHBondContact O-N 3Å
608	L	51	Low	49.7	Very low	112 Å²	112	110.5 Å²	110.5	59%	0.586	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-10.5	173.9	-70.7	163.6	0	0	0	114.2	M604 N605 T611	M604-L608 HydrophobicContact CG-CD1 4.29Å; M604-L608 PolarHBondContact O-N 3.01Å; N605-L608 PolarHBondContact O-N 3.43Å; L608-T611 PolarHBondContact O-OG1 3.13Å
609	M	47.4	Very low	47.9	Very low	165 Å²	165	114 Å²	114	81%	0.813	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	10	174.2	-67.9	-85.8	156.4	0	0	111.9	N605 K606 L607	N605-M609 WeakPolarHBondContact O-CB 3.36Å; N605-M609 WeakPolarHBondContact O-CG 3.41Å; N605-M609 PolarHBondContact O-N 2.85Å; K606-M609 CarbonylContact O-C 3.56Å; K606-M609 PolarHBondContact O-N 2.89Å; L607-M609 PolarHBondContact O-N 2.77Å
610	L	47.1	Very low	46	Very low	121 Å²	121	118.7 Å²	118.7	63%	0.634	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.2	-5.9	174.2	-75.8	170.7	0	0	0	112.7	K606 L607 P612	K606-L610 HydrophobicContact CG-CD1 4.07Å; K606-L610 WeakPolarHBondContact O-CD1 3.33Å; K606-L610 VanDerWaalsContact O-CG 3.26Å; K606-L610 WeakPolarHBondContact O-CG 3.13Å; K606-L610 PolarHBondContact O-N 3.31Å; L607-L610 PolarHBondContact O-N 3Å; L607-L610 VanDerWaalsContact O-N 3.09Å; L610-P612 WeakPolarHBondContact O-CD 3.3Å
611	T	36.2	Very low	44.4	Very low	93 Å²	93	125 Å²	125	57%	0.571	67%	0.666	S	S	*	*	S	Bend	trans	-66.6	123	156.5	41.3	0	0	0	0	108.8	L607 L608	L607-T611 PolarHBondContact O-N 3Å; L608-T611 PolarHBondContact O-OG1 3.13Å
612	P	36.3	Very low	42.5	Very low	116 Å²	116	131.2 Å²	131.2	75%	0.753	69%	0.687	S	S	*	*	P	Polyproline II helix	trans	-59.6	144.3	173.6	-21.8	33.3	0	0	0	111	L610 V614	L610-P612 WeakPolarHBondContact O-CD 3.3Å; P612-V614 PolarHBondContact O-N 2.92Å
613	E	31.5	Very low	41.1	Very low	194 Å²	194	130.1 Å²	130.1	91%	0.907	69%	0.691	S	S	*	*	P	Polyproline II helix	trans	-64.4	116.8	164.8	-66.8	-175.2	157.3	0	0	108.3
614	V	31.4	Very low	39	Very low	127 Å²	127	132.2 Å²	132.2	77%	0.77	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-73.8	127.5	167.8	-178.2	0	0	0	0	106.6	P612	P612-V614 PolarHBondContact O-N 2.92Å
615	P	32.9	Very low	37.6	Very low	111 Å²	111	134.7 Å²	134.7	72%	0.721	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-57.5	149.4	176	-24.6	34.7	0	0	0	111.8	A617	P615-A617 PolarHBondContact O-N 2.85Å
616	D	33.8	Very low	36.2	Very low	169 Å²	169	139.4 Å²	139.4	90%	0.904	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-56.5	127.8	-177.8	-164.6	8	0	0	0	111.5
617	A	27.8	Very low	34.3	Very low	86 Å²	86	140.7 Å²	140.7	71%	0.711	75%	0.753	S	S	*	*			trans	-150.8	91	-176.1	0	0	0	0	0	109	P615	P615-A617 PolarHBondContact O-N 2.85Å
618	S	33.3	Very low	33	Very low	92 Å²	92	138.3 Å²	138.3	64%	0.643	75%	0.747	S	S	*	*			trans	-62.1	157.7	157	61.5	0	0	0	0	110.3
619	D	30.2	Very low	31.7	Very low	142 Å²	142	143.6 Å²	143.6	76%	0.759	76%	0.759	S	S	*	*			trans	82.5	127.4	164.3	-51.4	-51.2	0	0	0	119.3
620	L	29.4	Very low	30.7	Very low	151 Å²	151	140.8 Å²	140.8	79%	0.791	76%	0.756	S	S	*	*			trans	81.3	95.9	156	-59.2	169.5	0	0	0	121.4
621	E	29.3	Very low	29.7	Very low	189 Å²	189	147 Å²	147	88%	0.883	77%	0.771	S	S	*	*				72.4	149.8	126.8	-62.4	-165.5	142.6	0	0	123.3
622	R	23.6	Very low	29.1	Very low	234 Å²	234	147.4 Å²	147.4	88%	0.883	78%	0.777	S	S	*	*			trans	-119.8	164.6	169.8	-138.8	-154	-82.1	-178.2	-7.8	105.7
623	P	40.9	Very low	28.5	Very low	89 Å²	89	150.5 Å²	150.5	58%	0.578	78%	0.784	S	S	*	*			cis	-135.2	-174.8	-3.1	42.5	-25.8	0	0	0	114.1
624	Q	25.4	Very low	28.1	Very low	163 Å²	163	145.1 Å²	145.1	76%	0.762	77%	0.768	S	S	*	*				-177.5	168.1	115.5	-95.9	-56.3	-13.1	0	0	112.3
625	L	27.4	Very low	27.5	Very low	148 Å²	148	144.5 Å²	144.5	78%	0.775	77%	0.768	S	S	*	*			trans	-89.6	162.5	174.6	-58.4	118.7	0	0	0	112
626	I	27.8	Very low	27	Very low	179 Å²	179	147.8 Å²	147.8	92%	0.918	77%	0.774	S	S	*	*			trans	-168.1	164	134.3	-102.1	157.3	0	0	0	111.7
627	D	23.6	Very low	26.7	Very low	142 Å²	142	143.9 Å²	143.9	76%	0.759	76%	0.76	S	S	*	*			trans	-99.3	165.2	-159.9	-177.7	30	0	0	0	115.3
628	S	25.7	Very low	26.6	Very low	81 Å²	81	147.6 Å²	147.6	57%	0.566	76%	0.762	S	S	*	*			trans	91.4	127.3	141.7	80.6	0	0	0	0	123.3
629	R	25.5	Very low	26.3	Very low	224 Å²	224	149.6 Å²	149.6	85%	0.845	77%	0.766	S	S	*	*			trans	71.3	91	130.2	-69.6	171.5	-175.6	-170.7	0.9	122.1
630	S	25.8	Very low	26.1	Very low	106 Å²	106	150 Å²	150	74%	0.741	76%	0.763	S	S	*	*				44.2	119.4	113.2	66	0	0	0	0	121.7
631	R	24.8	Very low	25.9	Very low	250 Å²	250	149.5 Å²	149.5	94%	0.943	76%	0.76	S	S	*	*				-160.4	161.5	118.7	-122.6	178.4	179.7	-176	-0.8	113.8
632	S	24.8	Very low	25.8	Very low	102 Å²	102	145.3 Å²	145.3	71%	0.713	75%	0.752	S	S	*	*			trans	-90.9	158.1	177.2	53.2	0	0	0	0	113.1
633	M	23.6	Very low	25.9	Very low	181 Å²	181	139.2 Å²	139.2	89%	0.892	75%	0.746	S	S	*	*			trans	-159.9	174.7	135.3	-88.4	-114.6	72	0	0	110.4
634	S	22.6	Very low	25.6	Very low	82 Å²	82	140.5 Å²	140.5	57%	0.573	75%	0.752	S	S	*	*			trans	-103.6	162.6	-152.2	50.7	0	0	0	0	116.7
635	C	20	Very low	26.1	Very low	114 Å²	114	138.8 Å²	138.8	77%	0.77	75%	0.754	S	S	*	*			trans	56.8	142.9	146.2	70.7	0	0	0	0	118.3
636	E	22.7	Very low	26	Very low	179 Å²	179	136.2 Å²	136.2	84%	0.836	74%	0.744	S	S	*	*			cis	-148.6	177.9	13.8	-81.7	-151.3	75.3	0	0	108.8
637	S	25.9	Very low	26	Very low	87 Å²	87	131.8 Å²	131.8	61%	0.608	73%	0.726	S	S	*	*			cis	-161.1	172.1	-6.4	33.5	0	0	0	0	110.3
638	Q	26.8	Very low	26.6	Very low	165 Å²	165	126.8 Å²	126.8	77%	0.771	70%	0.701	S	S	*	*			trans	56.8	126.9	150	-78.1	-179.5	-49.9	0	0	123.9
639	D	25.6	Very low	26.8	Very low	134 Å²	134	125.3 Å²	125.3	72%	0.717	69%	0.687	S	S	*	*			trans	93.6	122.8	132.3	-62.2	4.4	0	0	0	125.1
640	E	26.7	Very low	27	Very low	151 Å²	151	121.3 Å²	121.3	71%	0.706	68%	0.682	S	S	*	*			trans	78.1	101.7	142	-67.4	-63.8	91.1	0	0	125.6
641	L	26.4	Very low	27.4	Very low	139 Å²	139	120.7 Å²	120.7	73%	0.728	67%	0.671	S	S	*	*				62.2	105.3	127.9	-109.7	74	0	0	0	124.5
642	S	25.6	Very low	27.8	Very low	101 Å²	101	112 Å²	112	71%	0.706	66%	0.658	S	S	*	*				53.8	129.6	117.8	-174.6	0	0	0	0	122.8
643	S	26.8	Very low	28.3	Very low	107 Å²	107	113.9 Å²	113.9	75%	0.748	66%	0.656	S	S	*	*				173.5	137.3	105.3	-75.4	0	0	0	0	115.9
644	V	34.8	Very low	28.8	Very low	116 Å²	116	113 Å²	113	70%	0.703	65%	0.653	S	S	*	*			trans	-154.2	139.6	165.6	-171	0	0	0	0	110.6
645	P	35.1	Very low	29.2	Very low	126 Å²	126	116.7 Å²	116.7	82%	0.818	67%	0.667	S	S	*	*			trans	-137.6	179.3	155.9	33.4	-15.1	0	0	0	116
646	V	25.9	Very low	29.8	Very low	94 Å²	94	119.1 Å²	119.1	57%	0.57	67%	0.666	S	S	*	*			trans	-135.9	168.9	-163	-172.7	0	0	0	0	111.5	E599	E599-V646 HydrophobicContact CG-CG1 3.84Å
647	T	27.8	Very low	30.3	Very low	87 Å²	87	116 Å²	116	53%	0.534	66%	0.66	S	S	.	*			trans	-91.8	162.9	178.1	46.3	0	0	0	0	115
648	P	35.6	Very low	30.6	Very low	37 Å²	37	118.8 Å²	118.8	24%	0.24	67%	0.667	C	S	.	*			trans	-136.4	-170.1	-158.7	26.4	1.3	0	0	0	118	K678 P679 V680 W681	P648-K678 HydrophobicContact CB-CB 4.23Å; P648-P679 WeakPolarHBondContact CB-O 3.24Å; P648-P679 WeakPolarHBondContact CG-O 3.37Å; P648-V680 VanDerWaalsContact O-CG2 3.26Å; P648-V680 WeakPolarHBondContact O-CG2 3.36Å; P648-W681 HydrophobicContact CG-CB 4.49Å; P648-W681 HydrophobicContact CG-CG 4.27Å
649	L	29.3	Very low	30.5	Very low	49 Å²	49	114.3 Å²	114.3	26%	0.257	67%	0.665	S	S	.	*	B	Isolated β-bridge	trans	-122.9	159	-157.9	-55.4	93.5	0	0	0	118.8	Q595 I677 K678 P679 V680	Q595-L649 VanDerWaalsContact OE1-CG 3.26Å; L649-I677 HydrophobicContact CB-CG2 3.79Å; L649-I677 HydrophobicContact CD1-CG2 4.25Å; L649-I677 HydrophobicContact CD2-CG2 4.28Å; L649-I677 HydrophobicContact CG-CG2 4.34Å; L649-K678 WeakPolarHBondContact CA-O 3.3Å; L649-K678 WeakPolarHBondContact CB-O 3.24Å; L649-K678 WeakPolarHBondContact CD1-O 3.42Å; L649-K678 PolarHBondContact N-O 2.7Å; L649-P679 CarbonylContact O-C 3.52Å; L649-P679 VanDerWaalsContact O-C 3.24Å; L649-P679 WeakPolarHBondContact O-CA 3.5Å; L649-V680 VanDerWaalsContact C-CG2 3.46Å; L649-V680 PolarHBondContact O-N 3.3Å
650	D	31.2	Very low	30.5	Very low	141 Å²	141	117.3 Å²	117.3	75%	0.754	67%	0.672	S	S	*	*			trans	-81.1	167.8	-175.4	-164.2	18.6	0	0	0	116.1
651	N	34	Very low	30.4	Very low	93 Å²	93	113.9 Å²	113.9	50%	0.497	68%	0.677	S	S	.	*			trans	-127	-177.7	-168.9	-96	-1.1	0	0	0	114.7
652	G	33.5	Very low	30.3	Very low	66 Å²	66	116 Å²	116	68%	0.68	68%	0.683	S	S	*	*			trans	-169.1	177.3	172.5	0	0	0	0	0	112.7
653	E	34.9	Very low	30.2	Very low	142 Å²	142	117.6 Å²	117.6	66%	0.664	69%	0.689	S	S	*	*			trans	-152	176.8	-174.7	-125.3	149.9	-116	0	0	115.8	R742	E653-R742 IonicContact OE1-CZ 2.66Å; E653-R742 IonicContact OE1-NH1 3.86Å; E653-R742 PolarHBondContact OE1-NH1 3.27Å; E653-R742 IonicContact OE1-NH2 2.78Å; E653-R742 PolarHBondContact OE1-NH2 2.7Å; E653-R742 IonicContact OE2-NH2 3.54Å
654	I	34.2	Very low	30.1	Very low	163 Å²	163	117.5 Å²	117.5	84%	0.836	68%	0.684	S	S	*	*			trans	-150	164.2	-156.5	-32.9	175	0	0	0	110.8
655	D	31	Very low	29.7	Very low	160 Å²	160	122.7 Å²	122.7	86%	0.856	69%	0.691	S	S	*	*			trans	-148.4	167.2	156.5	-152.4	-1.7	0	0	0	112.5
656	E	31.5	Very low	29.3	Very low	164 Å²	164	124 Å²	124	77%	0.766	69%	0.691	S	S	*	*			trans	-150.7	176.2	-156	-162.8	176.5	-134.9	0	0	116.2
657	T	33.4	Very low	29.4	Very low	115 Å²	115	123.2 Å²	123.2	71%	0.706	70%	0.702	S	S	*	*			trans	86.1	148.6	163	75.1	0	0	0	0	117.5
658	L	31.8	Very low	29.6	Very low	144 Å²	144	125 Å²	125	75%	0.754	72%	0.718	S	S	*	*			cis	-159.3	164.7	-10.1	-122.3	174.9	0	0	0	112	F660	L658-F660 HydrophobicContact CD2-CD2 3.92Å; L658-F660 HydrophobicContact CD2-CE2 3.66Å
659	G	25.6	Very low	29.2	Very low	71 Å²	71	126.6 Å²	126.6	73%	0.732	74%	0.741	S	S	*	*			trans	175.7	140.9	168.3	0	0	0	0	0	112.2
660	F	25.5	Very low	29.1	Very low	198 Å²	198	134 Å²	134	87%	0.868	77%	0.771	S	S	*	*			trans	-120.1	148.3	-167.1	-94.8	-93.3	0	0	0	115.4	L658	L658-F660 HydrophobicContact CD2-CD2 3.92Å; L658-F660 HydrophobicContact CD2-CE2 3.66Å
661	G	24.6	Very low	28.9	Very low	78 Å²	78	136.7 Å²	136.7	80%	0.804	78%	0.776	S	S	*	*			trans	-168.2	134.9	164.5	0	0	0	0	0	110.5
662	E	23.6	Very low	28.8	Very low	183 Å²	183	137.6 Å²	137.6	86%	0.855	79%	0.787	S	S	*	*			trans	-125.7	120.1	-166.4	179.5	-174.1	-179.1	0	0	113.2
663	V	24.5	Very low	28.7	Very low	135 Å²	135	140.2 Å²	140.2	82%	0.818	79%	0.792	S	S	*	*			trans	-146.4	112.1	153.4	177.1	0	0	0	0	111.5
664	T	24.6	Very low	28.7	Very low	106 Å²	106	138.9 Å²	138.9	65%	0.65	80%	0.799	S	S	*	*			trans	24.2	123.4	155.5	67.8	0	0	0	0	124.1
665	R	26.2	Very low	29	Very low	224 Å²	224	139.7 Å²	139.7	85%	0.845	80%	0.799	S	S	*	*				83.7	133	125.1	-79.3	-177.9	171.3	171.1	-1.2	123.5
666	N	26.6	Very low	30.1	Very low	154 Å²	154	137 Å²	137	82%	0.824	78%	0.782	S	S	*	*			trans	77.9	84.1	144.7	-63.2	2.1	0	0	0	120.2
667	G	27.9	Very low	31.1	Very low	77 Å²	77	133.3 Å²	133.3	79%	0.794	77%	0.767	S	S	*	*			trans	-166.2	99.5	158.3	0	0	0	0	0	112	G669	G667-G669 VanDerWaalsContact C-N 3.25Å; G667-G669 PolarHBondContact O-N 3.49Å
668	S	31.6	Very low	32	Very low	125 Å²	125	132.6 Å²	132.6	87%	0.874	75%	0.754	S	S	*	*			trans	-81.7	54.1	-168.7	47.7	0	0	0	0	114.8	K670	S668-K670 PolarHBondContact O-N 3.08Å; S668-K670 VanDerWaalsContact O-N 3.11Å
669	G	27.8	Very low	33.8	Very low	70 Å²	70	125.8 Å²	125.8	72%	0.722	72%	0.718	S	S	*	*			trans	-66.3	102.6	175.9	0	0	0	0	0	113.1	G667 K671	G667-G669 VanDerWaalsContact C-N 3.25Å; G667-G669 PolarHBondContact O-N 3.49Å; G669-K671 PolarHBondContact O-N 3.32Å; G669-K671 VanDerWaalsContact O-N 3.13Å
670	K	27.9	Very low	36.1	Very low	204 Å²	204	125.2 Å²	125.2	89%	0.887	70%	0.701	S	S	*	*			trans	-67.9	106.4	173.3	-69.7	176.6	-179.6	171.2	0	110.4	S668	S668-K670 PolarHBondContact O-N 3.08Å; S668-K670 VanDerWaalsContact O-N 3.11Å
671	K	26.6	Very low	38.9	Very low	198 Å²	198	120.4 Å²	120.4	86%	0.861	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-56	130.6	165.6	-68.4	-177.5	178.5	-179.9	0	109.1	G669	G669-K671 PolarHBondContact O-N 3.32Å; G669-K671 VanDerWaalsContact O-N 3.13Å
672	P	30.6	Very low	41.7	Very low	113 Å²	113	118.3 Å²	118.3	73%	0.734	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-67	148.5	172.6	28.6	-33.9	0	0	0	110.3
673	P	32.8	Very low	44.6	Very low	120 Å²	120	112.8 Å²	112.8	78%	0.779	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-63	146.5	174.5	-18.8	31.9	0	0	0	111.4	E675	P673-E675 PolarHBondContact O-N 2.96Å
674	S	34.1	Very low	47.4	Very low	115 Å²	115	110.1 Å²	110.1	80%	0.804	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-63.6	117.5	171.1	37.7	0	0	0	0	110.6
675	E	40.8	Very low	50	Low	180 Å²	180	111.2 Å²	111.2	84%	0.841	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-65.4	137.8	179.2	-72.4	-163.7	122.3	0	0	111.7	P673 I677	P673-E675 PolarHBondContact O-N 2.96Å; E675-I677 VanDerWaalsContact C-N 3.3Å; E675-I677 PolarHBondContact O-N 3.36Å
676	M	54	Low	52.8	Low	102 Å²	102	102 Å²	102	50%	0.502	58%	0.577	S	S	.	*			trans	-80.2	65.7	-166.1	-84.7	150.1	40.3	0	0	113.2	S726 K727	M676-S726 VanDerWaalsContact CE-O 3.29Å; M676-S726 WeakPolarHBondContact CE-O 3.42Å; M676-K727 HydrophobicContact CB-CB 3.64Å; M676-K727 HydrophobicContact CG-CB 3.93Å
677	I	53.1	Low	55.8	Low	88 Å²	88	94.7 Å²	94.7	45%	0.451	54%	0.538	S	S	.	.	P	Polyproline II helix	trans	-65.3	129.8	179.9	-64.1	176.3	0	0	0	111.6	L649 E675 K727	L649-I677 HydrophobicContact CB-CG2 3.79Å; L649-I677 HydrophobicContact CD1-CG2 4.25Å; L649-I677 HydrophobicContact CD2-CG2 4.28Å; L649-I677 HydrophobicContact CG-CG2 4.34Å; E675-I677 VanDerWaalsContact C-N 3.3Å; E675-I677 PolarHBondContact O-N 3.36Å; I677-K727 WeakPolarHBondContact O-CD 3.22Å; I677-K727 PolarHBondContact O-NZ 3.36Å
678	K	52.7	Low	58.7	Low	100 Å²	100	93.1 Å²	93.1	44%	0.435	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-94.3	137.3	179.8	-67.4	176.2	-179.1	170.5	0	111.1	P648 L649	P648-K678 HydrophobicContact CB-CB 4.23Å; L649-K678 WeakPolarHBondContact CA-O 3.3Å; L649-K678 WeakPolarHBondContact CB-O 3.24Å; L649-K678 WeakPolarHBondContact CD1-O 3.42Å; L649-K678 PolarHBondContact N-O 2.7Å
679	P	69.2	Low	61.5	Low	1 Å²	1	87.6 Å²	87.6	1%	0.006	47%	0.472	C	S	.	.	B	Isolated β-bridge	trans	-84.1	141.2	-165.7	34.8	-40.2	0	0	0	115.1	P648 L649 W681 R709 D710	P648-P679 WeakPolarHBondContact CB-O 3.24Å; P648-P679 WeakPolarHBondContact CG-O 3.37Å; L649-P679 CarbonylContact O-C 3.52Å; L649-P679 VanDerWaalsContact O-C 3.24Å; L649-P679 WeakPolarHBondContact O-CA 3.5Å; P679-W681 VanDerWaalsContact O-CD1 3.25Å; P679-W681 PolarHBondContact O-N 2.91Å; P679-R709 WeakPolarHBondContact CD-O 3.39Å; P679-R709 WeakPolarHBondContact CG-O 3.37Å; P679-D710 VanDerWaalsContact CB-O 3.31Å; P679-D710 WeakPolarHBondContact CB-O 3.45Å; P679-D710 VanDerWaalsContact CG-C 3.47Å; P679-D710 VanDerWaalsContact CG-O 3.29Å; P679-D710 WeakPolarHBondContact CG-O 3.4Å
680	V	74	Confident	64.7	Low	59 Å²	59	84.2 Å²	84.2	36%	0.358	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-51.4	120.1	172.8	161.4	0	0	0	0	108.8	P648 L649 L682 G712	P648-V680 VanDerWaalsContact O-CG2 3.26Å; P648-V680 WeakPolarHBondContact O-CG2 3.36Å; L649-V680 VanDerWaalsContact C-CG2 3.46Å; L649-V680 PolarHBondContact O-N 3.3Å; V680-L682 PolarHBondContact O-N 3.27Å; V680-G712 VanDerWaalsContact O-CA 3.31Å; V680-G712 WeakPolarHBondContact O-CA 3.45Å
681	W	83.9	Confident	67.8	Low	96 Å²	96	74.5 Å²	74.5	36%	0.364	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-77.6	122.5	170.6	-76.3	17.4	0	0	0	108.7	P648 P679 H707 R709	P648-W681 HydrophobicContact CG-CB 4.49Å; P648-W681 HydrophobicContact CG-CG 4.27Å; P679-W681 VanDerWaalsContact O-CD1 3.25Å; P679-W681 PolarHBondContact O-N 2.91Å; W681-H707 HydrophobicContact CD2-CB 3.59Å; W681-H707 AromaticContact CD2-CG 3.62Å; W681-H707 HydrophobicContact CE3-CB 3.82Å; W681-H707 AromaticContact CE3-CD2 3.96Å; W681-H707 AromaticContact CE3-CE1 3.97Å; W681-H707 AromaticContact CE3-CG 3.45Å; W681-H707 VanDerWaalsContact CE3-CG 3.45Å; W681-H707 AromaticContact CE3-ND1 3.49Å; W681-H707 HydrophobicContact CG-CB 3.97Å; W681-H707 AromaticContact CG-CD2 3.94Å; W681-H707 AromaticContact CG-CG 3.97Å; W681-H707 HydrophobicContact CH2-CB 4.43Å; W681-H707 HydrophobicContact CZ2-CB 4.21Å; W681-H707 HydrophobicContact CZ3-CB 4.24Å; W681-H707 AromaticContact CZ3-ND1 3.75Å; W681-R709 HydrophobicContact CZ2-CG 4.38Å
682	L	83.9	Confident	70.9	Confident	35 Å²	35	65.1 Å²	65.1	18%	0.183	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-62.7	129.6	174.4	-69.7	-178.2	0	0	0	109.6	V680 I686 L691 H707 G712 W713 L840	V680-L682 PolarHBondContact O-N 3.27Å; L682-I686 HydrophobicContact CB-CG2 4.11Å; L682-L691 HydrophobicContact CD1-CD1 3.44Å; L682-L691 VanDerWaalsContact CD1-CD1 3.44Å; L682-H707 PolarHBondContact O-CD2 3.27Å; L682-H707 PolarHBondContact O-NE2 3.39Å; L682-H707 VanDerWaalsContact O-NE2 3.09Å; L682-G712 PolarHBondContact N-O 3.04Å; L682-G712 VanDerWaalsContact N-O 3.15Å; L682-W713 HydrophobicContact CD1-CD2 4.41Å; L682-W713 HydrophobicContact CD1-CG 4.29Å; L682-L840 HydrophobicContact CD1-CD1 4.44Å
683	P	83.8	Confident	73.7	Confident	67 Å²	67	64.9 Å²	64.9	44%	0.435	34%	0.343	S	S	.	.	P	Polyproline II helix	trans	-57.3	139.6	-179.7	-27.4	35.5	0	0	0	112.7	N685 I686	P683-N685 VanDerWaalsContact CB-OD1 3.32Å; P683-N685 WeakPolarHBondContact CB-OD1 3.42Å; P683-N685 PolarHBondContact O-N 3.12Å; P683-I686 WeakPolarHBondContact O-CB 3.5Å; P683-I686 VanDerWaalsContact O-CG2 3.24Å; P683-I686 WeakPolarHBondContact O-CG2 3.34Å; P683-I686 PolarHBondContact O-N 2.96Å
684	D	82.3	Confident	76.1	Confident	78 Å²	78	62.5 Å²	62.5	42%	0.417	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-56.2	-29.1	-176.5	-83.5	35	0	0	0	113.9	S687 R705 H707	D684-S687 VanDerWaalsContact O-O 3.1Å; D684-R705 VanDerWaalsContact CG-CD 3.5Å; D684-R705 VanDerWaalsContact O-CZ 3.26Å; D684-R705 PolarHBondContact O-NE 2.87Å; D684-R705 PolarHBondContact O-NH2 3.3Å; D684-R705 VanDerWaalsContact O-NH2 3.14Å; D684-R705 VanDerWaalsContact OD2-CD 3.22Å; D684-R705 WeakPolarHBondContact OD2-CD 3.2Å; D684-H707 IonicContact OD1-CE1 2.64Å; D684-H707 PolarHBondContact OD1-CE1 3.03Å; D684-H707 IonicContact OD1-NE2 3.88Å; D684-H707 PolarHBondContact OD1-NE2 3.2Å; D684-H707 VanDerWaalsContact OD1-NE2 3.14Å
685	N	81.3	Confident	78.8	Confident	129 Å²	129	57.3 Å²	57.3	69%	0.69	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-85.5	-3.4	178.5	66.2	-24.1	0	0	0	114.6	P683 S687 A838	P683-N685 VanDerWaalsContact CB-OD1 3.32Å; P683-N685 WeakPolarHBondContact CB-OD1 3.42Å; P683-N685 PolarHBondContact O-N 3.12Å; N685-S687 VanDerWaalsContact C-N 3.27Å; N685-S687 PolarHBondContact O-N 3.26Å; N685-A838 WeakPolarHBondContact O-CB 3.25Å
686	I	84.9	Confident	80.9	Confident	31 Å²	31	53.5 Å²	53.5	16%	0.159	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-74	-20.9	179.3	-144.8	177.5	0	0	0	112.3	L682 P683 E839 L840	L682-I686 HydrophobicContact CB-CG2 4.11Å; P683-I686 WeakPolarHBondContact O-CB 3.5Å; P683-I686 VanDerWaalsContact O-CG2 3.24Å; P683-I686 WeakPolarHBondContact O-CG2 3.34Å; P683-I686 PolarHBondContact O-N 2.96Å; I686-E839 HydrophobicContact CG1-CB 4.15Å; I686-E839 PolarHBondContact O-N 2.68Å; I686-L840 HydrophobicContact CD1-CD1 4.21Å; I686-L840 HydrophobicContact CD1-CG 4.42Å; I686-L840 HydrophobicContact CG1-CD1 4.3Å; I686-L840 HydrophobicContact CG1-CG 4.14Å; I686-L840 HydrophobicContact CG2-CD1 3.9Å; I686-L840 HydrophobicContact CG2-CG 4.33Å; I686-L840 PolarHBondContact O-N 3.24Å
687	S	88.9	Confident	82.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.28	C	S	.	.			trans	-148.9	149.8	170	-169.1	0	0	0	0	113	D684 N685 E689 R705 D841	D684-S687 VanDerWaalsContact O-O 3.1Å; N685-S687 VanDerWaalsContact C-N 3.27Å; N685-S687 PolarHBondContact O-N 3.26Å; S687-E689 PolarHBondContact OG-N 3.04Å; S687-E689 PolarHBondContact OG-O 3.17Å; S687-E689 VanDerWaalsContact OG-O 3.12Å; S687-R705 PolarHBondContact O-NH2 3.22Å; S687-D841 WeakPolarHBondContact CA-OD1 3.29Å; S687-D841 WeakPolarHBondContact CB-OD1 3.31Å; S687-D841 PolarHBondContact OG-OD1 3.3Å
688	N	88.8	Confident	84.4	Confident	45 Å²	45	48.9 Å²	48.9	24%	0.241	27%	0.274	C	S	.	.	S	Bend	trans	-96.6	7.4	170.1	-61.4	-69.3	0	0	0	113.3	E698 F699 R705 K837 A838 D841	N688-E698 CarbonylContact O-C 3.58Å; N688-E698 WeakPolarHBondContact O-CA 3.19Å; N688-F699 PolarHBondContact O-N 2.99Å; N688-R705 PolarHBondContact OD1-NH2 2.98Å; N688-K837 VanDerWaalsContact ND2-CB 3.26Å; N688-K837 WeakPolarHBondContact ND2-CB 3.25Å; N688-A838 WeakPolarHBondContact ND2-CB 3.47Å; N688-A838 PolarHBondContact ND2-N 2.78Å; N688-D841 PolarHBondContact N-OD1 3.35Å; N688-D841 PolarHBondContact ND2-OD2 3.24Å
689	E	91.2	Very high	86.2	Confident	8 Å²	8	44.8 Å²	44.8	4%	0.037	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	-148.9	165.3	-178.8	53.8	170.8	-142.9	0	0	112.8	S687 L691 T697 F699 R796 S842	S687-E689 PolarHBondContact OG-N 3.04Å; S687-E689 PolarHBondContact OG-O 3.17Å; S687-E689 VanDerWaalsContact OG-O 3.12Å; E689-L691 PolarHBondContact O-N 3.16Å; E689-T697 VanDerWaalsContact CA-O 3.3Å; E689-T697 WeakPolarHBondContact CA-O 3.28Å; E689-F699 WeakPolarHBondContact O-CE2 3.4Å; E689-R796 IonicContact OE1-CZ 2.85Å; E689-R796 IonicContact OE1-NH1 2.84Å; E689-R796 PolarHBondContact OE1-NH1 3.07Å; E689-R796 IonicContact OE1-NH2 3.37Å; E689-R796 PolarHBondContact OE1-NH2 2.8Å; E689-S842 VanDerWaalsContact OE1-CB 3.26Å; E689-S842 WeakPolarHBondContact OE1-CB 3.35Å; E689-S842 PolarHBondContact OE1-N 3.43Å; E689-S842 PolarHBondContact OE1-OG 2.8Å; E689-S842 PolarHBondContact OE2-OG 2.92Å
690	C	93.1	Very high	87	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	28%	0.276	C	S	.	.			trans	-57.8	128.8	178.5	-167.4	0	0	0	0	111.9	M692 C695 T697 C716 C719 R796	C690-M692 VanDerWaalsContact C-N 3.25Å; C690-M692 PolarHBondContact O-N 3.5Å; C690-C695 HydrophobicContact CB-CB 3.99Å; C690-C695 VanDerWaalsContact CB-SG 3.52Å; C690-C695 VanDerWaalsContact SG-SG 3.64Å; C690-T697 PolarHBondContact N-O 3.23Å; C690-C716 HydrophobicContact CB-CB 4.08Å; C690-C716 PolarHBondContact SG-N 3.43Å; C690-C716 VanDerWaalsContact SG-N 3.36Å; C690-C719 VanDerWaalsContact SG-SG 3.6Å; C690-R796 PolarHBondContact O-NH2 2.61Å
691	L	92.9	Very high	87.3	Confident	0 Å²	0	53 Å²	53	0%	0	30%	0.296	C	S	.	.			trans	-83.4	7.6	-179.3	-63.5	178.1	0	0	0	114.3	L682 E689 W713 L714 R796 L840	L682-L691 HydrophobicContact CD1-CD1 3.44Å; L682-L691 VanDerWaalsContact CD1-CD1 3.44Å; E689-L691 PolarHBondContact O-N 3.16Å; L691-W713 HydrophobicContact CB-CE3 3.51Å; L691-W713 HydrophobicContact CB-CZ3 3.84Å; L691-W713 HydrophobicContact CD1-CE3 4.31Å; L691-W713 VanDerWaalsContact O-CZ3 3.29Å; L691-W713 WeakPolarHBondContact O-CZ3 3.3Å; L691-L714 WeakPolarHBondContact CB-O 3.48Å; L691-L714 HydrophobicContact CD1-CB 3.8Å; L691-L714 HydrophobicContact CG-CB 4.25Å; L691-L714 PolarHBondContact N-O 3.16Å; L691-R796 WeakPolarHBondContact O-CB 3.17Å; L691-R796 PolarHBondContact O-N 2.89Å; L691-R796 VanDerWaalsContact O-N 3.12Å; L691-L840 HydrophobicContact CD1-CD1 3.93Å; L691-L840 HydrophobicContact CD2-CB 3.69Å; L691-L840 HydrophobicContact CD2-CD1 4.05Å
692	M	92.7	Very high	87.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-78	139.7	169.9	-54.7	-47.4	-69.9	0	0	110.3	C690 C695 I715 C719 C736 E738 F793 R794	C690-M692 VanDerWaalsContact C-N 3.25Å; C690-M692 PolarHBondContact O-N 3.5Å; M692-C695 HydrophobicContact CB-CB 4.03Å; M692-C695 WeakPolarHBondContact O-CB 3.2Å; M692-C695 PolarHBondContact O-N 3.35Å; M692-I715 HydrophobicContact CG-CG2 3.89Å; M692-I715 HydrophobicContact SD-CG2 3.65Å; M692-C719 HydrophobicContact CB-CB 4.46Å; M692-C719 HydrophobicContact CG-CB 3.59Å; M692-C719 VanDerWaalsContact CG-SG 3.56Å; M692-C736 HydrophobicContact CE-CB 4.03Å; M692-C736 HydrophobicContact SD-CB 3.75Å; M692-E738 HydrophobicContact CE-CB 4.37Å; M692-F793 HydrophobicContact CB-CB 4.24Å; M692-F793 HydrophobicContact CB-CD2 4.35Å; M692-F793 HydrophobicContact CE-CB 4.47Å; M692-F793 WeakPolarHBondContact CE-O 3.47Å; M692-R794 WeakPolarHBondContact CA-O 3.39Å; M692-R794 WeakPolarHBondContact CE-O 3.42Å
693	E	88.4	Confident	87.2	Confident	109 Å²	109	54.9 Å²	54.9	51%	0.509	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	147	169.2	-170.2	157.7	-127.9	0	0	110.6	C695 F793 R794 R796	E693-C695 PolarHBondContact O-N 3.31Å; E693-F793 WeakPolarHBondContact O-CD2 3.33Å; E693-R794 PolarHBondContact N-O 3.21Å; E693-R796 HydrophobicContact CB-CB 4.46Å
694	G	83.9	Confident	87.3	Confident	70 Å²	70	60.2 Å²	60.2	72%	0.722	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	-7.2	-171.6	0	0	0	0	0	115.6
695	C	90.6	Very high	87.7	Confident	6 Å²	6	59.6 Å²	59.6	4%	0.041	32%	0.316	C	S	.	.			trans	-102.5	116.3	-179.8	-163.5	0	0	0	0	112.8	C690 M692 E693 T697 C719 F793 R796	C690-C695 HydrophobicContact CB-CB 3.99Å; C690-C695 VanDerWaalsContact CB-SG 3.52Å; C690-C695 VanDerWaalsContact SG-SG 3.64Å; M692-C695 HydrophobicContact CB-CB 4.03Å; M692-C695 WeakPolarHBondContact O-CB 3.2Å; M692-C695 PolarHBondContact O-N 3.35Å; E693-C695 PolarHBondContact O-N 3.31Å; C695-T697 PolarHBondContact SG-OG1 2.92Å; C695-T697 VanDerWaalsContact SG-OG1 3.36Å; C695-C719 VanDerWaalsContact SG-SG 3.62Å; C695-F793 HydrophobicContact CB-CD2 4.17Å; C695-F793 HydrophobicContact CB-CE2 4.18Å; C695-R796 PolarHBondContact O-NH2 2.64Å
696	S	85.9	Confident	88.3	Confident	99 Å²	99	55.6 Å²	55.6	69%	0.692	29%	0.293	S	S	*	.			trans	-103.4	23.1	178.1	54.1	0	0	0	0	113.7	E698	S696-E698 PolarHBondContact O-N 2.84Å
697	T	90.7	Very high	88.7	Confident	22 Å²	22	55 Å²	55	14%	0.135	29%	0.29	C	S	.	.			trans	-73.8	100.4	-178.4	-56.2	0	0	0	0	111.1	E689 C690 C695 N703 C716	E689-T697 VanDerWaalsContact CA-O 3.3Å; E689-T697 WeakPolarHBondContact CA-O 3.28Å; C690-T697 PolarHBondContact N-O 3.23Å; C695-T697 PolarHBondContact SG-OG1 2.92Å; C695-T697 VanDerWaalsContact SG-OG1 3.36Å; T697-N703 HydrophobicContact CG2-CB 4.2Å; T697-N703 WeakPolarHBondContact CG2-ND2 3.43Å; T697-C716 HydrophobicContact CG2-CB 3.61Å
698	E	90.3	Very high	89	Confident	72 Å²	72	55 Å²	55	34%	0.336	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-61.2	136.2	167.6	-69.9	-160.6	-163.5	0	0	111	N688 S696 N703 K837	N688-E698 CarbonylContact O-C 3.58Å; N688-E698 WeakPolarHBondContact O-CA 3.19Å; S696-E698 PolarHBondContact O-N 2.84Å; E698-N703 VanDerWaalsContact O-CB 3.23Å; E698-N703 WeakPolarHBondContact O-CB 3.4Å; E698-N703 PolarHBondContact O-ND2 3.06Å; E698-K837 VanDerWaalsContact CD-NZ 3.34Å; E698-K837 IonicContact OE1-NZ 3.65Å; E698-K837 PolarHBondContact OE1-NZ 3.33Å; E698-K837 IonicContact OE2-NZ 2.71Å; E698-K837 PolarHBondContact OE2-NZ 2.94Å
699	F	90.4	Very high	89.2	Confident	14 Å²	14	55.5 Å²	55.5	6%	0.061	29%	0.288	C	S	.	.			trans	-83.1	131.6	176.4	-66.1	-54.5	0	0	0	111.5	N688 E689 N703 R705 L714 I715 C716	N688-F699 PolarHBondContact O-N 2.99Å; E689-F699 WeakPolarHBondContact O-CE2 3.4Å; F699-N703 CarbonylContact C-O 3.54Å; F699-N703 VanDerWaalsContact CA-O 3.26Å; F699-N703 WeakPolarHBondContact CA-O 3.32Å; F699-N703 WeakPolarHBondContact CD1-O 3.42Å; F699-R705 HydrophobicContact CB-CG 3.98Å; F699-R705 HydrophobicContact CD1-CB 4.44Å; F699-R705 HydrophobicContact CD1-CG 3.72Å; F699-R705 HydrophobicContact CD2-CG 3.6Å; F699-R705 HydrophobicContact CE1-CB 4.45Å; F699-R705 HydrophobicContact CE1-CG 4.02Å; F699-R705 HydrophobicContact CE2-CG 3.92Å; F699-R705 HydrophobicContact CG-CG 3.51Å; F699-R705 HydrophobicContact CZ-CG 4.12Å; F699-L714 HydrophobicContact CD2-CD2 4.2Å; F699-L714 HydrophobicContact CE2-CB 4.45Å; F699-L714 HydrophobicContact CE2-CD2 3.6Å; F699-L714 HydrophobicContact CE2-CG 3.64Å; F699-L714 HydrophobicContact CZ-CD2 4.36Å; F699-L714 HydrophobicContact CZ-CG 3.89Å; F699-I715 WeakPolarHBondContact CE1-O 3.49Å; F699-C716 HydrophobicContact CE1-CB 4.04Å
700	N	85.4	Confident	89.3	Confident	79 Å²	79	56 Å²	56	42%	0.422	29%	0.291	S	S	.	.	S	Bend	trans	-155.3	-167.9	178.4	59.3	53	0	0	0	109.9	I702 N703	N700-I702 PolarHBondContact O-N 3.45Å; N700-I702 WeakPolarHBondContact OD1-CA 3.43Å; N700-I702 WeakPolarHBondContact OD1-CB 3.46Å; N700-I702 PolarHBondContact OD1-N 3.24Å; N700-N703 PolarHBondContact N-O 2.8Å; N700-N703 CarbonylContact O-C 3.59Å; N700-N703 PolarHBondContact O-N 3.49Å; N700-N703 PolarHBondContact OD1-N 3.29Å
701	I	80.1	Confident	89.2	Confident	152 Å²	152	56.8 Å²	56.8	78%	0.779	30%	0.296	S	S	*	.	S	Bend	trans	-58.9	-32.1	-177.8	-58.7	173.9	0	0	0	112.1
702	I	79.9	Confident	89.1	Confident	137 Å²	137	56.8 Å²	56.8	70%	0.703	30%	0.296	S	S	*	.	S	Bend	trans	-87.5	-51.3	178.3	-55.5	171.2	0	0	0	110.2	N700 R704	N700-I702 PolarHBondContact O-N 3.45Å; N700-I702 WeakPolarHBondContact OD1-CA 3.43Å; N700-I702 WeakPolarHBondContact OD1-CB 3.46Å; N700-I702 PolarHBondContact OD1-N 3.24Å; I702-R704 PolarHBondContact O-N 2.85Å; I702-R704 VanDerWaalsContact O-N 3.12Å
703	N	86.8	Confident	89.1	Confident	35 Å²	35	59.2 Å²	59.2	19%	0.187	31%	0.305	C	S	.	.	S	Bend	trans	-84.9	76.7	176.1	-72.1	-19.9	0	0	0	110.2	T697 E698 F699 N700	T697-N703 HydrophobicContact CG2-CB 4.2Å; T697-N703 WeakPolarHBondContact CG2-ND2 3.43Å; E698-N703 VanDerWaalsContact O-CB 3.23Å; E698-N703 WeakPolarHBondContact O-CB 3.4Å; E698-N703 PolarHBondContact O-ND2 3.06Å; F699-N703 CarbonylContact C-O 3.54Å; F699-N703 VanDerWaalsContact CA-O 3.26Å; F699-N703 WeakPolarHBondContact CA-O 3.32Å; F699-N703 WeakPolarHBondContact CD1-O 3.42Å; N700-N703 PolarHBondContact N-O 2.8Å; N700-N703 CarbonylContact O-C 3.59Å; N700-N703 PolarHBondContact O-N 3.49Å; N700-N703 PolarHBondContact OD1-N 3.29Å
704	R	85.8	Confident	89.3	Confident	178 Å²	178	54 Å²	54	67%	0.672	28%	0.281	S	S	*	.			trans	-66.6	147.9	179.1	-62.4	-172.9	-179	-170.6	1	112.1	I702	I702-R704 PolarHBondContact O-N 2.85Å; I702-R704 VanDerWaalsContact O-N 3.12Å
705	R	90.5	Very high	89.9	Confident	65 Å²	65	50.7 Å²	50.7	25%	0.245	25%	0.247	C	C	.	.			trans	-69.2	144.7	173.5	-73.5	170.3	171.5	85.3	-3.4	111.5	D684 S687 N688 F699 L714	D684-R705 VanDerWaalsContact CG-CD 3.5Å; D684-R705 VanDerWaalsContact O-CZ 3.26Å; D684-R705 PolarHBondContact O-NE 2.87Å; D684-R705 PolarHBondContact O-NH2 3.3Å; D684-R705 VanDerWaalsContact O-NH2 3.14Å; D684-R705 VanDerWaalsContact OD2-CD 3.22Å; D684-R705 WeakPolarHBondContact OD2-CD 3.2Å; S687-R705 PolarHBondContact O-NH2 3.22Å; N688-R705 PolarHBondContact OD1-NH2 2.98Å; F699-R705 HydrophobicContact CB-CG 3.98Å; F699-R705 HydrophobicContact CD1-CB 4.44Å; F699-R705 HydrophobicContact CD1-CG 3.72Å; F699-R705 HydrophobicContact CD2-CG 3.6Å; F699-R705 HydrophobicContact CE1-CB 4.45Å; F699-R705 HydrophobicContact CE1-CG 4.02Å; F699-R705 HydrophobicContact CE2-CG 3.92Å; F699-R705 HydrophobicContact CG-CG 3.51Å; F699-R705 HydrophobicContact CZ-CG 4.12Å; R705-L714 HydrophobicContact CB-CD1 3.94Å; R705-L714 HydrophobicContact CB-CG 4.49Å; R705-L714 HydrophobicContact CG-CD1 4.12Å; R705-L714 HydrophobicContact CG-CD2 4.23Å; R705-L714 HydrophobicContact CG-CG 4.25Å
706	H	93.3	Very high	90.1	Very high	45 Å²	45	50.4 Å²	50.4	21%	0.208	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	138.9	171	-53.6	-34.4	0	0	0	109.9	I715	H706-I715 HydrophobicContact CB-CG1 4.15Å; H706-I715 WeakPolarHBondContact CB-O 3.38Å; H706-I715 PolarHBondContact N-O 3.28Å; H706-I715 VanDerWaalsContact O-CG1 3.26Å; H706-I715 WeakPolarHBondContact O-CG1 3.31Å; H706-I715 PolarHBondContact O-N 2.77Å
707	H	93.3	Very high	90.5	Very high	19 Å²	19	50.6 Å²	50.6	9%	0.088	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	138.8	171.7	-53.1	77.5	0	0	0	111.9	W681 L682 D684 R709 W713 L714	W681-H707 HydrophobicContact CD2-CB 3.59Å; W681-H707 AromaticContact CD2-CG 3.62Å; W681-H707 HydrophobicContact CE3-CB 3.82Å; W681-H707 AromaticContact CE3-CD2 3.96Å; W681-H707 AromaticContact CE3-CE1 3.97Å; W681-H707 AromaticContact CE3-CG 3.45Å; W681-H707 VanDerWaalsContact CE3-CG 3.45Å; W681-H707 AromaticContact CE3-ND1 3.49Å; W681-H707 HydrophobicContact CG-CB 3.97Å; W681-H707 AromaticContact CG-CD2 3.94Å; W681-H707 AromaticContact CG-CG 3.97Å; W681-H707 HydrophobicContact CH2-CB 4.43Å; W681-H707 HydrophobicContact CZ2-CB 4.21Å; W681-H707 HydrophobicContact CZ3-CB 4.24Å; W681-H707 AromaticContact CZ3-ND1 3.75Å; L682-H707 PolarHBondContact O-CD2 3.27Å; L682-H707 PolarHBondContact O-NE2 3.39Å; L682-H707 VanDerWaalsContact O-NE2 3.09Å; D684-H707 IonicContact OD1-CE1 2.64Å; D684-H707 PolarHBondContact OD1-CE1 3.03Å; D684-H707 IonicContact OD1-NE2 3.88Å; D684-H707 PolarHBondContact OD1-NE2 3.2Å; D684-H707 VanDerWaalsContact OD1-NE2 3.14Å; H707-R709 WeakPolarHBondContact O-CD 3.43Å; H707-R709 PolarHBondContact O-N 2.8Å; H707-R709 PolarHBondContact O-NH1 3.27Å; H707-W713 CarbonylContact C-O 3.6Å; H707-W713 WeakPolarHBondContact CA-O 3.43Å; H707-L714 WeakPolarHBondContact NE2-CD1 3.47Å
708	C	95	Very high	90.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	24%	0.243	C	C	.	.			trans	-64.6	128.4	164	180	0	0	0	0	109.7	D710 C711 G712 W713 C736	C708-D710 PolarHBondContact O-N 3.03Å; C708-D710 PolarHBondContact SG-N 2.88Å; C708-C711 WeakPolarHBondContact CB-SG 3.49Å; C708-C711 PolarHBondContact SG-N 3.46Å; C708-C711 VanDerWaalsContact SG-N 3.38Å; C708-C711 PolarHBondContact SG-SG 3.29Å; C708-G712 WeakPolarHBondContact O-CA 3.44Å; C708-G712 PolarHBondContact O-N 3.37Å; C708-W713 PolarHBondContact N-O 2.97Å; C708-C736 HydrophobicContact CB-CB 4.13Å; C708-C736 PolarHBondContact SG-N 3.07Å; C708-C736 VanDerWaalsContact SG-SG 3.68Å
709	R	93.6	Very high	91	Very high	55 Å²	55	49.8 Å²	49.8	21%	0.208	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-9.9	176.6	-81.9	55.6	169.3	162.7	8.4	112.9	P679 W681 H707 L725 K727 Y728 Q733 N734	P679-R709 WeakPolarHBondContact CD-O 3.39Å; P679-R709 WeakPolarHBondContact CG-O 3.37Å; W681-R709 HydrophobicContact CZ2-CG 4.38Å; H707-R709 WeakPolarHBondContact O-CD 3.43Å; H707-R709 PolarHBondContact O-N 2.8Å; H707-R709 PolarHBondContact O-NH1 3.27Å; R709-L725 HydrophobicContact CB-CD1 3.81Å; R709-K727 WeakPolarHBondContact O-CE 3.27Å; R709-Y728 HydrophobicContact CB-CE2 3.97Å; R709-Q733 HydrophobicContact CB-CB 3.98Å; R709-Q733 HydrophobicContact CG-CB 4.28Å; R709-N734 WeakPolarHBondContact CB-O 3.44Å; R709-N734 WeakPolarHBondContact CD-O 3.31Å; R709-N734 PolarHBondContact N-O 2.91Å
710	D	92.2	Very high	91.2	Very high	18 Å²	18	52.2 Å²	52.2	10%	0.096	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-41.3	-178.7	-168	49	0	0	0	114.7	P679 C708 L725 K727 V735 C739 H743	P679-D710 VanDerWaalsContact CB-O 3.31Å; P679-D710 WeakPolarHBondContact CB-O 3.45Å; P679-D710 VanDerWaalsContact CG-C 3.47Å; P679-D710 VanDerWaalsContact CG-O 3.29Å; P679-D710 WeakPolarHBondContact CG-O 3.4Å; C708-D710 PolarHBondContact O-N 3.03Å; C708-D710 PolarHBondContact SG-N 2.88Å; D710-L725 HydrophobicContact CB-CD1 3.89Å; D710-L725 HydrophobicContact CB-CD2 3.89Å; D710-K727 PolarHBondContact O-NZ 2.97Å; D710-K727 WeakPolarHBondContact OD1-CE 3.44Å; D710-K727 IonicContact OD1-NZ 2.98Å; D710-K727 PolarHBondContact OD1-NZ 3.45Å; D710-V735 HydrophobicContact CB-CG1 4.07Å; D710-C739 HydrophobicContact CB-CB 4.01Å; D710-C739 PolarHBondContact OD2-SG 2.96Å; D710-H743 IonicContact OD1-NE2 2.72Å; D710-H743 PolarHBondContact OD1-NE2 3.45Å; D710-H743 IonicContact OD2-CD2 2.72Å; D710-H743 IonicContact OD2-CE1 2.74Å; D710-H743 IonicContact OD2-NE2 2.72Å; D710-H743 PolarHBondContact OD2-NE2 2.99Å
711	C	91.3	Very high	91.8	Very high	17 Å²	17	48.5 Å²	48.5	12%	0.115	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-8.5	175.3	68.8	0	0	0	0	115.2	C708 W713 C736 H795	C708-C711 WeakPolarHBondContact CB-SG 3.49Å; C708-C711 PolarHBondContact SG-N 3.46Å; C708-C711 VanDerWaalsContact SG-N 3.38Å; C708-C711 PolarHBondContact SG-SG 3.29Å; C711-W713 VanDerWaalsContact C-N 3.32Å; C711-W713 PolarHBondContact O-N 2.87Å; C711-C736 VanDerWaalsContact SG-SG 3.61Å; C711-H795 PolarHBondContact SG-NE2 2.85Å
712	G	90.9	Very high	92.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	19%	0.191	C	C	.	.			trans	82	-1.9	177.2	0	0	0	0	0	116.6	V680 L682 C708	V680-G712 VanDerWaalsContact O-CA 3.31Å; V680-G712 WeakPolarHBondContact O-CA 3.45Å; L682-G712 PolarHBondContact N-O 3.04Å; L682-G712 VanDerWaalsContact N-O 3.15Å; C708-G712 WeakPolarHBondContact O-CA 3.44Å; C708-G712 PolarHBondContact O-N 3.37Å
713	W	92.3	Very high	93.3	Very high	51 Å²	51	37 Å²	37	19%	0.193	16%	0.158	C	C	.	.			trans	-67.8	148	-175.3	-78.5	51.5	0	0	0	114.2	L682 L691 H707 C708 C711 H795 R796 V798	L682-W713 HydrophobicContact CD1-CD2 4.41Å; L682-W713 HydrophobicContact CD1-CG 4.29Å; L691-W713 HydrophobicContact CB-CE3 3.51Å; L691-W713 HydrophobicContact CB-CZ3 3.84Å; L691-W713 HydrophobicContact CD1-CE3 4.31Å; L691-W713 VanDerWaalsContact O-CZ3 3.29Å; L691-W713 WeakPolarHBondContact O-CZ3 3.3Å; H707-W713 CarbonylContact C-O 3.6Å; H707-W713 WeakPolarHBondContact CA-O 3.43Å; C708-W713 PolarHBondContact N-O 2.97Å; C711-W713 VanDerWaalsContact C-N 3.32Å; C711-W713 PolarHBondContact O-N 2.87Å; W713-H795 HydrophobicContact CD2-CB 4.32Å; W713-H795 AromaticContact CD2-CD2 3.29Å; W713-H795 AromaticContact CD2-CG 3.95Å; W713-H795 AromaticContact CE2-CD2 3.76Å; W713-H795 AromaticContact CE2-CG 3.98Å; W713-H795 HydrophobicContact CE3-CB 4.04Å; W713-H795 AromaticContact CE3-CD2 3.44Å; W713-H795 VanDerWaalsContact CE3-CD2 3.44Å; W713-H795 AromaticContact CG-CD2 3.63Å; W713-H795 AromaticContact CG-NE2 3.86Å; W713-H795 HydrophobicContact CH2-CB 3.66Å; W713-H795 HydrophobicContact CZ2-CB 3.9Å; W713-H795 HydrophobicContact CZ3-CB 3.72Å; W713-R796 VanDerWaalsContact CH2-O 3.29Å; W713-R796 WeakPolarHBondContact CH2-O 3.24Å; W713-R796 HydrophobicContact CZ3-CB 4.5Å; W713-V798 HydrophobicContact CH2-CG2 4.03Å
714	L	93.1	Very high	93.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	111	-178.3	-158	69.5	0	0	0	110.9	L691 F699 R705 H707	L691-L714 WeakPolarHBondContact CB-O 3.48Å; L691-L714 HydrophobicContact CD1-CB 3.8Å; L691-L714 HydrophobicContact CG-CB 4.25Å; L691-L714 PolarHBondContact N-O 3.16Å; F699-L714 HydrophobicContact CD2-CD2 4.2Å; F699-L714 HydrophobicContact CE2-CB 4.45Å; F699-L714 HydrophobicContact CE2-CD2 3.6Å; F699-L714 HydrophobicContact CE2-CG 3.64Å; F699-L714 HydrophobicContact CZ-CD2 4.36Å; F699-L714 HydrophobicContact CZ-CG 3.89Å; R705-L714 HydrophobicContact CB-CD1 3.94Å; R705-L714 HydrophobicContact CB-CG 4.49Å; R705-L714 HydrophobicContact CG-CD1 4.12Å; R705-L714 HydrophobicContact CG-CD2 4.23Å; R705-L714 HydrophobicContact CG-CG 4.25Å; H707-L714 WeakPolarHBondContact NE2-CD1 3.47Å
715	I	95.8	Very high	94	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	153.6	-170.7	60.5	177.7	0	0	0	112.5	M692 F699 H706 C719 K720 V735 C736	M692-I715 HydrophobicContact CG-CG2 3.89Å; M692-I715 HydrophobicContact SD-CG2 3.65Å; F699-I715 WeakPolarHBondContact CE1-O 3.49Å; H706-I715 HydrophobicContact CB-CG1 4.15Å; H706-I715 WeakPolarHBondContact CB-O 3.38Å; H706-I715 PolarHBondContact N-O 3.28Å; H706-I715 VanDerWaalsContact O-CG1 3.26Å; H706-I715 WeakPolarHBondContact O-CG1 3.31Å; H706-I715 PolarHBondContact O-N 2.77Å; I715-C719 HydrophobicContact CB-CB 4.14Å; I715-C719 HydrophobicContact CG2-CB 4.49Å; I715-K720 HydrophobicContact CD1-CB 4.01Å; I715-K720 HydrophobicContact CD1-CG 4.41Å; I715-K720 HydrophobicContact CG1-CB 4.45Å; I715-V735 WeakPolarHBondContact CD1-O 3.36Å; I715-C736 HydrophobicContact CD1-CB 3.93Å; I715-C736 HydrophobicContact CG2-CB 3.9Å
716	C	95.2	Very high	93.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.007	12%	0.119	C	C	.	.			trans	-86	170.5	174.5	75.1	0	0	0	0	112.4	C690 T697 F699 F718 C719 K720	C690-C716 HydrophobicContact CB-CB 4.08Å; C690-C716 PolarHBondContact SG-N 3.43Å; C690-C716 VanDerWaalsContact SG-N 3.36Å; T697-C716 HydrophobicContact CG2-CB 3.61Å; F699-C716 HydrophobicContact CE1-CB 4.04Å; C716-F718 PolarHBondContact O-N 3.41Å; C716-F718 VanDerWaalsContact O-N 3.1Å; C716-C719 PolarHBondContact O-N 3.27Å; C716-K720 WeakPolarHBondContact O-CB 3.33Å; C716-K720 PolarHBondContact O-N 3.35Å
717	K	94.4	Very high	93.5	Very high	103 Å²	103	24.7 Å²	24.7	45%	0.448	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-26.8	178.2	70.9	-174.5	-177.3	-172.7	0	114.6
718	F	95.3	Very high	93.3	Very high	76 Å²	76	26.3 Å²	26.3	33%	0.333	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-35.9	-179.4	-55.1	-71.9	0	0	0	112.6	C716 K720 P788 V789 N790	C716-F718 PolarHBondContact O-N 3.41Å; C716-F718 VanDerWaalsContact O-N 3.1Å; F718-K720 VanDerWaalsContact C-N 3.3Å; F718-P788 WeakPolarHBondContact O-CB 3.33Å; F718-V789 HydrophobicContact CB-CB 4.25Å; F718-V789 HydrophobicContact CD1-CB 4.37Å; F718-V789 HydrophobicContact CD1-CG1 4.48Å; F718-V789 HydrophobicContact CD1-CG2 4.35Å; F718-V789 PolarHBondContact O-N 2.84Å; F718-N790 PolarHBondContact O-N 2.9Å
719	C	96.2	Very high	93	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-1.8	175.2	-67.3	0	0	0	0	114	C690 M692 C695 I715 C716 C736 S737	C690-C719 VanDerWaalsContact SG-SG 3.6Å; M692-C719 HydrophobicContact CB-CB 4.46Å; M692-C719 HydrophobicContact CG-CB 3.59Å; M692-C719 VanDerWaalsContact CG-SG 3.56Å; C695-C719 VanDerWaalsContact SG-SG 3.62Å; I715-C719 HydrophobicContact CB-CB 4.14Å; I715-C719 HydrophobicContact CG2-CB 4.49Å; C716-C719 PolarHBondContact O-N 3.27Å; C719-C736 CarbonylContact O-C 3.46Å; C719-C736 WeakPolarHBondContact O-CA 3.44Å; C719-S737 PolarHBondContact O-N 3.46Å
720	K	96.1	Very high	92.9	Very high	66 Å²	66	27.5 Å²	27.5	29%	0.287	13%	0.129	S	C	.	.			trans	-92.8	97.2	-175.8	179.8	-132.6	177.2	-178.3	0	111.5	I715 C716 F718 N734 V735	I715-K720 HydrophobicContact CD1-CB 4.01Å; I715-K720 HydrophobicContact CD1-CG 4.41Å; I715-K720 HydrophobicContact CG1-CB 4.45Å; C716-K720 WeakPolarHBondContact O-CB 3.33Å; C716-K720 PolarHBondContact O-N 3.35Å; F718-K720 VanDerWaalsContact C-N 3.3Å; K720-N734 WeakPolarHBondContact CE-OD1 3.24Å; K720-N734 HydrophobicContact CG-CB 4.27Å; K720-N734 PolarHBondContact NZ-OD1 2.71Å; K720-V735 CarbonylContact C-O 3.57Å; K720-V735 WeakPolarHBondContact CA-O 3.31Å
721	G	96.1	Very high	92.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-173.9	166.6	0	0	0	0	0	112.6	N734 V735 K786	G721-N734 WeakPolarHBondContact O-CA 3.38Å; G721-V735 PolarHBondContact N-O 2.91Å; G721-V735 PolarHBondContact O-N 3.29Å; G721-K786 CarbonylContact C-O 3.24Å; G721-K786 VanDerWaalsContact CA-O 3.23Å; G721-K786 WeakPolarHBondContact CA-O 3.34Å
722	Q	97.3	Very high	92.9	Very high	48 Å²	48	31 Å²	31	22%	0.224	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	138.1	167.7	-53.1	-179.5	-78.4	0	0	110.6	K732 Q733 N734 F740 F785 K786	Q722-K732 HydrophobicContact CB-CD 4.32Å; Q722-K732 HydrophobicContact CB-CG 3.82Å; Q722-Q733 CarbonylContact C-O 3.33Å; Q722-Q733 WeakPolarHBondContact CA-O 3.44Å; Q722-N734 PolarHBondContact NE2-OD1 2.92Å; Q722-F740 WeakPolarHBondContact O-CD2 3.47Å; Q722-F740 VanDerWaalsContact O-CE2 3.24Å; Q722-F740 WeakPolarHBondContact O-CE2 3.45Å; Q722-F785 CarbonylContact O-C 3.58Å; Q722-F785 WeakPolarHBondContact O-CA 3.39Å; Q722-K786 HydrophobicContact CB-CB 4.09Å; Q722-K786 HydrophobicContact CG-CB 4.36Å; Q722-K786 PolarHBondContact N-O 2.88Å; Q722-K786 PolarHBondContact O-N 2.83Å
723	A	95.8	Very high	93.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	155	178.3	0	0	0	0	0	110.7	Q733 V735 F740 H743 F785	A723-Q733 PolarHBondContact N-O 3.38Å; A723-Q733 PolarHBondContact O-N 3.06Å; A723-V735 HydrophobicContact CB-CG1 4.37Å; A723-V735 HydrophobicContact CB-CG2 3.91Å; A723-F740 HydrophobicContact CB-CD2 4.29Å; A723-H743 HydrophobicContact CB-CB 4.11Å; A723-F785 HydrophobicContact CB-CD1 4.05Å; A723-F785 HydrophobicContact CB-CE1 3.98Å
724	P	94.5	Very high	93.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	125.7	170.3	27.4	-29	0	0	0	110.2	F730 T731 L752 F753 L784 F785	P724-F730 WeakPolarHBondContact CB-O 3.27Å; P724-T731 WeakPolarHBondContact CA-O 3.36Å; P724-L752 HydrophobicContact CG-CD2 3.99Å; P724-F753 HydrophobicContact CB-CE1 4.3Å; P724-F753 HydrophobicContact CB-CZ 4.15Å; P724-F753 HydrophobicContact CG-CE1 4.41Å; P724-F753 HydrophobicContact CG-CZ 3.78Å; P724-L784 HydrophobicContact CB-CB 3.92Å; P724-L784 HydrophobicContact CB-CD1 3.95Å; P724-L784 HydrophobicContact CG-CB 3.78Å; P724-L784 HydrophobicContact CG-CD1 4.28Å; P724-F785 HydrophobicContact CG-CE1 4.28Å; P724-F785 HydrophobicContact CG-CE2 3.84Å; P724-F785 HydrophobicContact CG-CZ 3.7Å
725	L	92.2	Very high	93.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	15%	0.153	C	C	.	.			trans	-113.1	126.4	-179.5	-65	-177.1	0	0	0	111.2	R709 D710 K727 Y728 F730 T731 Q733 V735 H743	R709-L725 HydrophobicContact CB-CD1 3.81Å; D710-L725 HydrophobicContact CB-CD1 3.89Å; D710-L725 HydrophobicContact CB-CD2 3.89Å; L725-K727 VanDerWaalsContact C-N 3.25Å; L725-K727 HydrophobicContact CB-CG 4.4Å; L725-K727 PolarHBondContact O-N 3.3Å; L725-Y728 HydrophobicContact CB-CD2 3.91Å; L725-Y728 HydrophobicContact CD1-CD2 3.91Å; L725-Y728 HydrophobicContact CD1-CE2 4.08Å; L725-Y728 CarbonylContact O-C 3.59Å; L725-Y728 PolarHBondContact O-N 2.94Å; L725-F730 VanDerWaalsContact O-CA 3.28Å; L725-F730 WeakPolarHBondContact O-CA 3.37Å; L725-F730 PolarHBondContact O-N 3.24Å; L725-T731 PolarHBondContact N-O 3.36Å; L725-Q733 HydrophobicContact CB-CG 4.47Å; L725-Q733 HydrophobicContact CD1-CB 3.67Å; L725-Q733 HydrophobicContact CD1-CG 4.22Å; L725-Q733 HydrophobicContact CG-CB 4.01Å; L725-Q733 HydrophobicContact CG-CG 4.48Å; L725-V735 HydrophobicContact CD1-CG1 4.18Å; L725-V735 HydrophobicContact CD2-CG1 4.12Å; L725-V735 HydrophobicContact CG-CG1 4.43Å; L725-H743 VanDerWaalsContact CD2-CD2 3.44Å; L725-H743 WeakPolarHBondContact CD2-CD2 3.03Å; L725-H743 WeakPolarHBondContact CD2-NE2 3.47Å
726	S	87.6	Confident	93.4	Very high	43 Å²	43	32.1 Å²	32.1	30%	0.301	15%	0.153	S	C	.	.	G	3₁₀ helix	trans	-50	-46.1	176.7	56.9	0	0	0	0	112.3	M676 Y728 D729	M676-S726 VanDerWaalsContact CE-O 3.29Å; M676-S726 WeakPolarHBondContact CE-O 3.42Å; S726-Y728 PolarHBondContact O-N 3.05Å; S726-D729 PolarHBondContact O-N 2.96Å
727	K	86.2	Confident	93.4	Very high	22 Å²	22	32 Å²	32	10%	0.096	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-67.6	2.6	178.1	63.6	-171.7	177	-150.9	0	116.7	M676 I677 R709 D710 L725	M676-K727 HydrophobicContact CB-CB 3.64Å; M676-K727 HydrophobicContact CG-CB 3.93Å; I677-K727 WeakPolarHBondContact O-CD 3.22Å; I677-K727 PolarHBondContact O-NZ 3.36Å; R709-K727 WeakPolarHBondContact O-CE 3.27Å; D710-K727 PolarHBondContact O-NZ 2.97Å; D710-K727 WeakPolarHBondContact OD1-CE 3.44Å; D710-K727 IonicContact OD1-NZ 2.98Å; D710-K727 PolarHBondContact OD1-NZ 3.45Å; L725-K727 VanDerWaalsContact C-N 3.25Å; L725-K727 HydrophobicContact CB-CG 4.4Å; L725-K727 PolarHBondContact O-N 3.3Å
728	Y	87.8	Confident	93.4	Very high	52 Å²	52	28 Å²	28	20%	0.204	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-131.6	39	170.2	-63.9	-91.5	0	0	0	110.6	R709 L725 S726 F730 T731 Q733	R709-Y728 HydrophobicContact CB-CE2 3.97Å; L725-Y728 HydrophobicContact CB-CD2 3.91Å; L725-Y728 HydrophobicContact CD1-CD2 3.91Å; L725-Y728 HydrophobicContact CD1-CE2 4.08Å; L725-Y728 CarbonylContact O-C 3.59Å; L725-Y728 PolarHBondContact O-N 2.94Å; S726-Y728 PolarHBondContact O-N 3.05Å; Y728-F730 PolarHBondContact O-N 3.3Å; Y728-T731 WeakPolarHBondContact O-CB 3.46Å; Y728-T731 WeakPolarHBondContact O-CG2 3.39Å; Y728-T731 PolarHBondContact O-N 2.75Å; Y728-T731 PolarHBondContact O-OG1 3.3Å; Y728-Q733 HydrophobicContact CD1-CG 4.28Å; Y728-Q733 HydrophobicContact CD2-CG 3.84Å; Y728-Q733 HydrophobicContact CG-CG 3.69Å
729	D	89.1	Confident	93.5	Very high	61 Å²	61	24.4 Å²	24.4	33%	0.326	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	34	178.5	-55	-61.2	0	0	0	113.2	S726 T731 G771 K772	S726-D729 PolarHBondContact O-N 2.96Å; D729-T731 PolarHBondContact O-N 2.6Å; D729-T731 VanDerWaalsContact O-N 3.17Å; D729-G771 PolarHBondContact O-N 2.88Å; D729-K772 VanDerWaalsContact OD2-CG 3.3Å; D729-K772 WeakPolarHBondContact OD2-CG 3.5Å
730	F	91.4	Very high	93.5	Very high	20 Å²	20	24.7 Å²	24.7	9%	0.088	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	14.4	-173.8	-59.2	-81.5	0	0	0	115.6	P724 L725 Y728 L752 F753 P754 I770	P724-F730 WeakPolarHBondContact CB-O 3.27Å; L725-F730 VanDerWaalsContact O-CA 3.28Å; L725-F730 WeakPolarHBondContact O-CA 3.37Å; L725-F730 PolarHBondContact O-N 3.24Å; Y728-F730 PolarHBondContact O-N 3.3Å; F730-L752 WeakPolarHBondContact CE1-O 3.23Å; F730-F753 HydrophobicContact CB-CD1 4.42Å; F730-F753 HydrophobicContact CB-CE1 4.06Å; F730-F753 AromaticContact CD1-CD1 3.86Å; F730-F753 HydrophobicContact CD1-CD1 3.86Å; F730-F753 AromaticContact CD1-CE1 3.95Å; F730-F753 HydrophobicContact CD1-CE1 3.95Å; F730-F753 HydrophobicContact CE1-CD1 4.38Å; F730-F753 HydrophobicContact CG-CD1 4.14Å; F730-F753 HydrophobicContact CG-CE1 4.2Å; F730-P754 HydrophobicContact CE2-CG 4.29Å; F730-P754 VanDerWaalsContact CZ-CD 3.42Å; F730-P754 HydrophobicContact CZ-CG 4.03Å; F730-I770 HydrophobicContact CB-CB 4.31Å; F730-I770 HydrophobicContact CB-CG2 3.78Å
731	T	90.4	Very high	93.4	Very high	41 Å²	41	22.6 Å²	22.6	25%	0.252	11%	0.113	S	C	.	.			trans	-65.5	153.8	171.4	63.4	0	0	0	0	111.9	P724 L725 Y728 D729 Q733	P724-T731 WeakPolarHBondContact CA-O 3.36Å; L725-T731 PolarHBondContact N-O 3.36Å; Y728-T731 WeakPolarHBondContact O-CB 3.46Å; Y728-T731 WeakPolarHBondContact O-CG2 3.39Å; Y728-T731 PolarHBondContact O-N 2.75Å; Y728-T731 PolarHBondContact O-OG1 3.3Å; D729-T731 PolarHBondContact O-N 2.6Å; D729-T731 VanDerWaalsContact O-N 3.17Å; T731-Q733 PolarHBondContact O-N 3.37Å; T731-Q733 PolarHBondContact OG1-NE2 3.5Å
732	K	92.8	Very high	93.4	Very high	68 Å²	68	27.3 Å²	27.3	30%	0.296	13%	0.131	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	108.9	-179.1	-177.9	166.7	-159.3	164.5	0	111.6	Q722 K783 L784 F785	Q722-K732 HydrophobicContact CB-CD 4.32Å; Q722-K732 HydrophobicContact CB-CG 3.82Å; K732-K783 PolarHBondContact NZ-O 3.18Å; K732-L784 WeakPolarHBondContact CD-O 3.37Å; K732-L784 WeakPolarHBondContact CE-O 3.35Å; K732-L784 VanDerWaalsContact CG-O 3.27Å; K732-L784 WeakPolarHBondContact CG-O 3.46Å; K732-F785 PolarHBondContact NZ-O 2.73Å
733	Q	95.4	Very high	93.2	Very high	44 Å²	44	26 Å²	26	21%	0.206	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	152.6	-176.6	-65.3	-59	-31.9	0	0	112.5	R709 Q722 A723 L725 Y728 T731	R709-Q733 HydrophobicContact CB-CB 3.98Å; R709-Q733 HydrophobicContact CG-CB 4.28Å; Q722-Q733 CarbonylContact C-O 3.33Å; Q722-Q733 WeakPolarHBondContact CA-O 3.44Å; A723-Q733 PolarHBondContact N-O 3.38Å; A723-Q733 PolarHBondContact O-N 3.06Å; L725-Q733 HydrophobicContact CB-CG 4.47Å; L725-Q733 HydrophobicContact CD1-CB 3.67Å; L725-Q733 HydrophobicContact CD1-CG 4.22Å; L725-Q733 HydrophobicContact CG-CB 4.01Å; L725-Q733 HydrophobicContact CG-CG 4.48Å; Y728-Q733 HydrophobicContact CD1-CG 4.28Å; Y728-Q733 HydrophobicContact CD2-CG 3.84Å; Y728-Q733 HydrophobicContact CG-CG 3.69Å; T731-Q733 PolarHBondContact O-N 3.37Å; T731-Q733 PolarHBondContact OG1-NE2 3.5Å
734	N	95.3	Very high	93.2	Very high	29 Å²	29	29.6 Å²	29.6	16%	0.155	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	131.9	179.1	-53.8	-47.9	0	0	0	111.1	R709 K720 G721 Q722	R709-N734 WeakPolarHBondContact CB-O 3.44Å; R709-N734 WeakPolarHBondContact CD-O 3.31Å; R709-N734 PolarHBondContact N-O 2.91Å; K720-N734 WeakPolarHBondContact CE-OD1 3.24Å; K720-N734 HydrophobicContact CG-CB 4.27Å; K720-N734 PolarHBondContact NZ-OD1 2.71Å; G721-N734 WeakPolarHBondContact O-CA 3.38Å; Q722-N734 PolarHBondContact NE2-OD1 2.92Å
735	V	96.3	Very high	93.1	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	158.7	-179	-71.1	0	0	0	0	111.6	D710 I715 K720 G721 A723 L725 C739 F740	D710-V735 HydrophobicContact CB-CG1 4.07Å; I715-V735 WeakPolarHBondContact CD1-O 3.36Å; K720-V735 CarbonylContact C-O 3.57Å; K720-V735 WeakPolarHBondContact CA-O 3.31Å; G721-V735 PolarHBondContact N-O 2.91Å; G721-V735 PolarHBondContact O-N 3.29Å; A723-V735 HydrophobicContact CB-CG1 4.37Å; A723-V735 HydrophobicContact CB-CG2 3.91Å; L725-V735 HydrophobicContact CD1-CG1 4.18Å; L725-V735 HydrophobicContact CD2-CG1 4.12Å; L725-V735 HydrophobicContact CG-CG1 4.43Å; V735-C739 HydrophobicContact CB-CB 3.98Å; V735-C739 HydrophobicContact CG1-CB 4.2Å; V735-F740 HydrophobicContact CG2-CB 3.79Å; V735-F740 HydrophobicContact CG2-CD2 4.16Å
736	C	96.9	Very high	93	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.175	C	C	.	.			trans	-71.9	171.5	163.4	61.8	0	0	0	0	110.6	M692 C708 C711 I715 C719 C739 F740 H795	M692-C736 HydrophobicContact CE-CB 4.03Å; M692-C736 HydrophobicContact SD-CB 3.75Å; C708-C736 HydrophobicContact CB-CB 4.13Å; C708-C736 PolarHBondContact SG-N 3.07Å; C708-C736 VanDerWaalsContact SG-SG 3.68Å; C711-C736 VanDerWaalsContact SG-SG 3.61Å; I715-C736 HydrophobicContact CD1-CB 3.93Å; I715-C736 HydrophobicContact CG2-CB 3.9Å; C719-C736 CarbonylContact O-C 3.46Å; C719-C736 WeakPolarHBondContact O-CA 3.44Å; C736-C739 VanDerWaalsContact SG-CB 3.54Å; C736-C739 PolarHBondContact SG-N 3.29Å; C736-C739 VanDerWaalsContact SG-N 3.41Å; C736-C739 VanDerWaalsContact SG-SG 3.6Å; C736-F740 WeakPolarHBondContact O-CB 3.5Å; C736-F740 PolarHBondContact O-N 3.11Å; C736-H795 PolarHBondContact SG-NE2 2.99Å
737	S	94.9	Very high	93.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-58.9	-54.3	176.3	-170.8	0	0	0	0	112.3	C719 C739 F740 D741 N790 Y791 G792 F793	C719-S737 PolarHBondContact O-N 3.46Å; S737-C739 VanDerWaalsContact C-N 3.28Å; S737-C739 PolarHBondContact O-N 3.17Å; S737-F740 CarbonylContact O-C 3.53Å; S737-F740 VanDerWaalsContact O-CA 3.32Å; S737-F740 WeakPolarHBondContact O-CA 3.41Å; S737-F740 VanDerWaalsContact O-CB 3.25Å; S737-F740 WeakPolarHBondContact O-CB 3.18Å; S737-F740 PolarHBondContact O-N 3.44Å; S737-D741 PolarHBondContact O-N 2.88Å; S737-D741 PolarHBondContact OG-OD2 2.94Å; S737-N790 VanDerWaalsContact CB-O 3.29Å; S737-N790 WeakPolarHBondContact CB-O 3.43Å; S737-N790 PolarHBondContact OG-O 2.78Å; S737-Y791 WeakPolarHBondContact OG-CA 3.28Å; S737-G792 PolarHBondContact OG-N 2.85Å; S737-F793 WeakPolarHBondContact CB-O 3.43Å; S737-F793 PolarHBondContact OG-N 2.56Å
738	E	94.9	Very high	93.3	Very high	18 Å²	18	43.5 Å²	43.5	8%	0.084	20%	0.197	C	C	.	.	H	α-helix	trans	-56.5	-39.6	-177.5	-166.4	-170.3	108.6	0	0	113.8	M692 D741 R742 F793 R794 H795	M692-E738 HydrophobicContact CE-CB 4.37Å; E738-D741 PolarHBondContact O-N 2.86Å; E738-R742 WeakPolarHBondContact O-CB 3.4Å; E738-R742 PolarHBondContact O-N 2.85Å; E738-R742 IonicContact OE1-NH2 3.59Å; E738-R742 PolarHBondContact OE1-NH2 2.8Å; E738-F793 PolarHBondContact N-O 3.15Å; E738-R794 WeakPolarHBondContact OE2-CD 3.46Å; E738-H795 IonicContact OE1-CE1 3.82Å; E738-H795 PolarHBondContact OE1-CE1 3.28Å; E738-H795 VanDerWaalsContact OE1-CE1 3.26Å; E738-H795 IonicContact OE1-ND1 2.64Å; E738-H795 PolarHBondContact OE1-ND1 3.3Å; E738-H795 IonicContact OE2-CE1 3.03Å; E738-H795 IonicContact OE2-CG 2.72Å; E738-H795 PolarHBondContact OE2-N 3.37Å; E738-H795 IonicContact OE2-ND1 2.65Å; E738-H795 PolarHBondContact OE2-ND1 2.71Å
739	C	95.7	Very high	93.4	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-69.4	-36.5	172	-74.9	0	0	0	0	112.4	D710 V735 C736 S737 R742 H743	D710-C739 HydrophobicContact CB-CB 4.01Å; D710-C739 PolarHBondContact OD2-SG 2.96Å; V735-C739 HydrophobicContact CB-CB 3.98Å; V735-C739 HydrophobicContact CG1-CB 4.2Å; C736-C739 VanDerWaalsContact SG-CB 3.54Å; C736-C739 PolarHBondContact SG-N 3.29Å; C736-C739 VanDerWaalsContact SG-N 3.41Å; C736-C739 VanDerWaalsContact SG-SG 3.6Å; S737-C739 VanDerWaalsContact C-N 3.28Å; S737-C739 PolarHBondContact O-N 3.17Å; C739-R742 PolarHBondContact O-N 3.42Å; C739-H743 PolarHBondContact O-CD2 3.47Å; C739-H743 PolarHBondContact O-N 3.19Å
740	F	96.8	Very high	93.3	Very high	6 Å²	6	44.9 Å²	44.9	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-58.3	-50.7	171.8	-177.7	-88.2	0	0	0	110.8	Q722 A723 V735 C736 S737 R742 H743 Y744 F785 K786 A787 Y791	Q722-F740 WeakPolarHBondContact O-CD2 3.47Å; Q722-F740 VanDerWaalsContact O-CE2 3.24Å; Q722-F740 WeakPolarHBondContact O-CE2 3.45Å; A723-F740 HydrophobicContact CB-CD2 4.29Å; V735-F740 HydrophobicContact CG2-CB 3.79Å; V735-F740 HydrophobicContact CG2-CD2 4.16Å; C736-F740 WeakPolarHBondContact O-CB 3.5Å; C736-F740 PolarHBondContact O-N 3.11Å; S737-F740 CarbonylContact O-C 3.53Å; S737-F740 VanDerWaalsContact O-CA 3.32Å; S737-F740 WeakPolarHBondContact O-CA 3.41Å; S737-F740 VanDerWaalsContact O-CB 3.25Å; S737-F740 WeakPolarHBondContact O-CB 3.18Å; S737-F740 PolarHBondContact O-N 3.44Å; F740-R742 VanDerWaalsContact C-N 3.3Å; F740-R742 PolarHBondContact O-N 2.92Å; F740-H743 PolarHBondContact O-N 2.95Å; F740-Y744 HydrophobicContact CE1-CD1 4.27Å; F740-Y744 HydrophobicContact CE1-CG 4.08Å; F740-Y744 HydrophobicContact CZ-CG 4.37Å; F740-Y744 WeakPolarHBondContact O-CB 3.26Å; F740-Y744 PolarHBondContact O-N 2.81Å; F740-F785 HydrophobicContact CD2-CD1 4.4Å; F740-F785 HydrophobicContact CE2-CB 3.91Å; F740-F785 AromaticContact CE2-CD1 3.67Å; F740-F785 HydrophobicContact CE2-CD1 3.67Å; F740-F785 HydrophobicContact CE2-CG 4.29Å; F740-F785 HydrophobicContact CZ-CB 4.06Å; F740-F785 AromaticContact CZ-CD1 3.95Å; F740-F785 HydrophobicContact CZ-CD1 3.95Å; F740-F785 HydrophobicContact CZ-CG 4.44Å; F740-K786 VanDerWaalsContact CE2-C 3.4Å; F740-K786 VanDerWaalsContact CE2-O 3.31Å; F740-K786 WeakPolarHBondContact CE2-O 3.18Å; F740-A787 HydrophobicContact CE1-CB 4Å; F740-A787 HydrophobicContact CZ-CB 3.99Å; F740-Y791 HydrophobicContact CD1-CD2 4.11Å; F740-Y791 AromaticContact CD1-CE2 3.72Å; F740-Y791 HydrophobicContact CD1-CE2 3.72Å; F740-Y791 HydrophobicContact CE1-CD2 4.26Å; F740-Y791 AromaticContact CE1-CE2 3.75Å; F740-Y791 HydrophobicContact CE1-CE2 3.75Å
741	D	94.9	Very high	93.1	Very high	22 Å²	22	49.3 Å²	49.3	12%	0.118	25%	0.248	C	C	.	.	H	α-helix	trans	-59.8	-42.9	-178.7	-51.7	-25.5	0	0	0	110.5	S737 E738 K745 Y791 G792	S737-D741 PolarHBondContact O-N 2.88Å; S737-D741 PolarHBondContact OG-OD2 2.94Å; E738-D741 PolarHBondContact O-N 2.86Å; D741-K745 WeakPolarHBondContact O-CB 3.16Å; D741-K745 PolarHBondContact O-N 2.76Å; D741-Y791 WeakPolarHBondContact OD1-CD2 3.47Å; D741-Y791 WeakPolarHBondContact OD1-CE2 3.35Å; D741-Y791 VanDerWaalsContact OD1-CZ 3.3Å; D741-G792 WeakPolarHBondContact OD2-CA 3.37Å; D741-G792 PolarHBondContact OD2-N 2.93Å
742	R	95	Very high	93	Very high	98 Å²	98	48.2 Å²	48.2	37%	0.37	24%	0.241	S	C	.	.	H	α-helix	trans	-61.2	-50.5	176.4	-171.3	-171.6	-62.5	-138.1	-1.5	112.8	E653 E738 C739 F740 A746	E653-R742 IonicContact OE1-CZ 2.66Å; E653-R742 IonicContact OE1-NH1 3.86Å; E653-R742 PolarHBondContact OE1-NH1 3.27Å; E653-R742 IonicContact OE1-NH2 2.78Å; E653-R742 PolarHBondContact OE1-NH2 2.7Å; E653-R742 IonicContact OE2-NH2 3.54Å; E738-R742 WeakPolarHBondContact O-CB 3.4Å; E738-R742 PolarHBondContact O-N 2.85Å; E738-R742 IonicContact OE1-NH2 3.59Å; E738-R742 PolarHBondContact OE1-NH2 2.8Å; C739-R742 PolarHBondContact O-N 3.42Å; F740-R742 VanDerWaalsContact C-N 3.3Å; F740-R742 PolarHBondContact O-N 2.92Å; R742-A746 PolarHBondContact O-N 3.03Å; R742-A746 VanDerWaalsContact O-N 3.09Å
743	H	94.5	Very high	92.9	Very high	22 Å²	22	45.8 Å²	45.8	10%	0.102	23%	0.23	C	C	.	.	H	α-helix	trans	-73.8	-31.6	178.4	-71.4	-63.7	0	0	0	112.6	D710 A723 L725 C739 F740 A746 Y747 F785	D710-H743 IonicContact OD1-NE2 2.72Å; D710-H743 PolarHBondContact OD1-NE2 3.45Å; D710-H743 IonicContact OD2-CD2 2.72Å; D710-H743 IonicContact OD2-CE1 2.74Å; D710-H743 IonicContact OD2-NE2 2.72Å; D710-H743 PolarHBondContact OD2-NE2 2.99Å; A723-H743 HydrophobicContact CB-CB 4.11Å; L725-H743 VanDerWaalsContact CD2-CD2 3.44Å; L725-H743 WeakPolarHBondContact CD2-CD2 3.03Å; L725-H743 WeakPolarHBondContact CD2-NE2 3.47Å; C739-H743 PolarHBondContact O-CD2 3.47Å; C739-H743 PolarHBondContact O-N 3.19Å; F740-H743 PolarHBondContact O-N 2.95Å; H743-A746 PolarHBondContact O-N 2.72Å; H743-Y747 PolarHBondContact O-N 2.89Å; H743-F785 HydrophobicContact CB-CE1 4.45Å
744	Y	93.9	Very high	92.4	Very high	74 Å²	74	46 Å²	46	29%	0.29	24%	0.236	S	C	.	.	H	α-helix	trans	-71.6	-36.2	176.5	-173.3	-122.4	0	0	0	111.9	F740 Y747 K748 F785	F740-Y744 HydrophobicContact CE1-CD1 4.27Å; F740-Y744 HydrophobicContact CE1-CG 4.08Å; F740-Y744 HydrophobicContact CZ-CG 4.37Å; F740-Y744 WeakPolarHBondContact O-CB 3.26Å; F740-Y744 PolarHBondContact O-N 2.81Å; Y744-Y747 HydrophobicContact CD2-CD1 4.1Å; Y744-Y747 HydrophobicContact CE2-CD1 4.11Å; Y744-Y747 HydrophobicContact CE2-CE1 4.49Å; Y744-Y747 PolarHBondContact O-N 2.81Å; Y744-K748 HydrophobicContact CE1-CD 4.5Å; Y744-K748 PolarHBondContact O-N 3.2Å; Y744-K748 VanDerWaalsContact O-N 3.08Å; Y744-F785 AromaticContact CD2-CD1 3.9Å; Y744-F785 HydrophobicContact CD2-CD1 3.9Å; Y744-F785 HydrophobicContact CD2-CD2 4.46Å; Y744-F785 HydrophobicContact CD2-CE1 4.04Å; Y744-F785 HydrophobicContact CD2-CG 4.12Å; Y744-F785 HydrophobicContact CD2-CZ 4.4Å
745	K	92.9	Very high	91.9	Very high	133 Å²	133	49.6 Å²	49.6	58%	0.578	26%	0.263	S	S	*	.	H	α-helix	trans	-60.5	-52.8	166.4	178.9	175	176.2	-175.6	0	110.8	D741 Y747 K748 D749	D741-K745 WeakPolarHBondContact O-CB 3.16Å; D741-K745 PolarHBondContact O-N 2.76Å; K745-Y747 PolarHBondContact O-N 2.77Å; K745-Y747 VanDerWaalsContact O-N 3.08Å; K745-K748 PolarHBondContact O-N 3.4Å; K745-D749 WeakPolarHBondContact CE-OD2 3.22Å; K745-D749 VanDerWaalsContact CG-OD2 3.26Å; K745-D749 WeakPolarHBondContact CG-OD2 3.21Å; K745-D749 WeakPolarHBondContact O-CB 3.27Å; K745-D749 VanDerWaalsContact O-CG 3.23Å; K745-D749 PolarHBondContact O-N 3.15Å
746	A	91.1	Very high	91.2	Very high	21 Å²	21	57.8 Å²	57.8	17%	0.174	30%	0.299	C	S	.	.	H	α-helix	trans	-57.1	-28.1	178.5	0	0	0	0	0	113.8	R742 H743 G750 V751 L752	R742-A746 PolarHBondContact O-N 3.03Å; R742-A746 VanDerWaalsContact O-N 3.09Å; H743-A746 PolarHBondContact O-N 2.72Å; A746-G750 PolarHBondContact O-N 3.44Å; A746-V751 HydrophobicContact CB-CG2 4.04Å; A746-V751 WeakPolarHBondContact O-CG2 3.43Å; A746-V751 PolarHBondContact O-N 2.9Å; A746-V751 VanDerWaalsContact O-N 3.09Å; A746-L752 HydrophobicContact CB-CB 4.05Å; A746-L752 HydrophobicContact CB-CD1 4.25Å; A746-L752 WeakPolarHBondContact O-CB 3.28Å; A746-L752 PolarHBondContact O-N 2.94Å
747	Y	91.6	Very high	90.5	Very high	57 Å²	57	59.3 Å²	59.3	22%	0.224	31%	0.307	C	S	.	.	H	α-helix	trans	-73	-46.1	171.4	166.5	-120.7	0	0	0	112.8	H743 Y744 K745 D749 G750 F753 P781 R782 F785	H743-Y747 PolarHBondContact O-N 2.89Å; Y744-Y747 HydrophobicContact CD2-CD1 4.1Å; Y744-Y747 HydrophobicContact CE2-CD1 4.11Å; Y744-Y747 HydrophobicContact CE2-CE1 4.49Å; Y744-Y747 PolarHBondContact O-N 2.81Å; K745-Y747 PolarHBondContact O-N 2.77Å; K745-Y747 VanDerWaalsContact O-N 3.08Å; Y747-D749 VanDerWaalsContact C-N 3.29Å; Y747-D749 PolarHBondContact O-N 3.11Å; Y747-G750 PolarHBondContact O-N 3.15Å; Y747-G750 VanDerWaalsContact O-N 3.1Å; Y747-F753 HydrophobicContact CD2-CD2 4.26Å; Y747-F753 AromaticContact CD2-CE2 3.82Å; Y747-F753 HydrophobicContact CD2-CE2 3.82Å; Y747-F753 HydrophobicContact CE2-CE2 4.38Å; Y747-P781 HydrophobicContact CD2-CB 4.24Å; Y747-P781 HydrophobicContact CE2-CB 3.47Å; Y747-P781 VanDerWaalsContact CE2-CB 3.47Å; Y747-P781 HydrophobicContact CE2-CG 4.22Å; Y747-R782 WeakPolarHBondContact OH-CG 3.2Å; Y747-F785 HydrophobicContact CD1-CD2 4.27Å; Y747-F785 AromaticContact CD1-CE2 3.65Å; Y747-F785 HydrophobicContact CD1-CE2 3.65Å; Y747-F785 HydrophobicContact CD1-CZ 4.1Å; Y747-F785 HydrophobicContact CD2-CE2 4.36Å; Y747-F785 HydrophobicContact CE1-CE2 4.28Å; Y747-F785 AromaticContact CG-CE2 3.7Å; Y747-F785 HydrophobicContact CG-CE2 3.7Å; Y747-F785 AromaticContact CG-CZ 3.93Å; Y747-F785 HydrophobicContact CG-CZ 3.93Å
748	K	88.8	Confident	90.1	Very high	147 Å²	147	62.3 Å²	62.3	64%	0.639	32%	0.322	S	S	*	.	H	α-helix	trans	-60.4	-39.9	174.6	-75.7	-173.9	170.7	-170.8	0	112.3	Y744 K745 G750	Y744-K748 HydrophobicContact CE1-CD 4.5Å; Y744-K748 PolarHBondContact O-N 3.2Å; Y744-K748 VanDerWaalsContact O-N 3.08Å; K745-K748 PolarHBondContact O-N 3.4Å; K748-G750 PolarHBondContact O-N 3.09Å
749	D	89.4	Confident	89.6	Confident	91 Å²	91	63.6 Å²	63.6	49%	0.487	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	0.5	178.5	-58.5	-5	0	0	0	112.3	K745 Y747 V751	K745-D749 WeakPolarHBondContact CE-OD2 3.22Å; K745-D749 VanDerWaalsContact CG-OD2 3.26Å; K745-D749 WeakPolarHBondContact CG-OD2 3.21Å; K745-D749 WeakPolarHBondContact O-CB 3.27Å; K745-D749 VanDerWaalsContact O-CG 3.23Å; K745-D749 PolarHBondContact O-N 3.15Å; Y747-D749 VanDerWaalsContact C-N 3.29Å; Y747-D749 PolarHBondContact O-N 3.11Å; D749-V751 HydrophobicContact CB-CG2 4.22Å; D749-V751 PolarHBondContact O-N 3.16Å; D749-V751 VanDerWaalsContact O-N 3.09Å
750	G	86.1	Confident	88.9	Confident	51 Å²	51	68.4 Å²	68.4	53%	0.526	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.8	-8.9	177.9	0	0	0	0	0	115.9	A746 Y747 K748	A746-G750 PolarHBondContact O-N 3.44Å; Y747-G750 PolarHBondContact O-N 3.15Å; Y747-G750 VanDerWaalsContact O-N 3.1Å; K748-G750 PolarHBondContact O-N 3.09Å
751	V	88.7	Confident	88.1	Confident	112 Å²	112	72.6 Å²	72.6	68%	0.679	38%	0.377	S	S	*	.			trans	-82.6	-14.3	-171.8	-62.8	0	0	0	0	115.2	A746 D749 F753	A746-V751 HydrophobicContact CB-CG2 4.04Å; A746-V751 WeakPolarHBondContact O-CG2 3.43Å; A746-V751 PolarHBondContact O-N 2.9Å; A746-V751 VanDerWaalsContact O-N 3.09Å; D749-V751 HydrophobicContact CB-CG2 4.22Å; D749-V751 PolarHBondContact O-N 3.16Å; D749-V751 VanDerWaalsContact O-N 3.09Å; V751-F753 PolarHBondContact O-N 3.43Å
752	L	87.6	Confident	87	Confident	19 Å²	19	78.1 Å²	78.1	10%	0.099	42%	0.418	C	S	.	.	S	Bend	trans	-65.8	-40.3	-173.8	-176	62.4	0	0	0	113.6	P724 F730 A746 F785	P724-L752 HydrophobicContact CG-CD2 3.99Å; F730-L752 WeakPolarHBondContact CE1-O 3.23Å; A746-L752 HydrophobicContact CB-CB 4.05Å; A746-L752 HydrophobicContact CB-CD1 4.25Å; A746-L752 WeakPolarHBondContact O-CB 3.28Å; A746-L752 PolarHBondContact O-N 2.94Å; L752-F785 HydrophobicContact CD2-CZ 3.86Å
753	F	90.1	Very high	86.1	Confident	16 Å²	16	78.2 Å²	78.2	7%	0.07	43%	0.425	C	S	.	.	S	Bend	trans	-104.7	121.6	-174.8	-63.5	-81	0	0	0	110.8	P724 F730 Y747 V751 M758 V768 P781 L784	P724-F753 HydrophobicContact CB-CE1 4.3Å; P724-F753 HydrophobicContact CB-CZ 4.15Å; P724-F753 HydrophobicContact CG-CE1 4.41Å; P724-F753 HydrophobicContact CG-CZ 3.78Å; F730-F753 HydrophobicContact CB-CD1 4.42Å; F730-F753 HydrophobicContact CB-CE1 4.06Å; F730-F753 AromaticContact CD1-CD1 3.86Å; F730-F753 HydrophobicContact CD1-CD1 3.86Å; F730-F753 AromaticContact CD1-CE1 3.95Å; F730-F753 HydrophobicContact CD1-CE1 3.95Å; F730-F753 HydrophobicContact CE1-CD1 4.38Å; F730-F753 HydrophobicContact CG-CD1 4.14Å; F730-F753 HydrophobicContact CG-CE1 4.2Å; Y747-F753 HydrophobicContact CD2-CD2 4.26Å; Y747-F753 AromaticContact CD2-CE2 3.82Å; Y747-F753 HydrophobicContact CD2-CE2 3.82Å; Y747-F753 HydrophobicContact CE2-CE2 4.38Å; V751-F753 PolarHBondContact O-N 3.43Å; F753-M758 HydrophobicContact CB-CG 4.19Å; F753-V768 HydrophobicContact CB-CG1 4.16Å; F753-V768 HydrophobicContact CD1-CB 4.12Å; F753-V768 HydrophobicContact CD1-CG1 3.74Å; F753-V768 HydrophobicContact CD1-CG2 4.38Å; F753-V768 HydrophobicContact CD2-CG1 4.1Å; F753-V768 HydrophobicContact CE1-CB 4.15Å; F753-V768 HydrophobicContact CE1-CG1 4.08Å; F753-V768 HydrophobicContact CE1-CG2 3.9Å; F753-V768 HydrophobicContact CE2-CG1 4.41Å; F753-V768 HydrophobicContact CG-CG1 3.74Å; F753-V768 HydrophobicContact CZ-CG1 4.4Å; F753-V768 HydrophobicContact CZ-CG2 4.12Å; F753-P781 HydrophobicContact CE2-CB 4.03Å; F753-P781 HydrophobicContact CZ-CB 4.34Å; F753-L784 HydrophobicContact CE1-CD1 4.26Å; F753-L784 HydrophobicContact CZ-CD1 4.07Å
754	P	86.3	Confident	85	Confident	50 Å²	50	85.4 Å²	85.4	33%	0.325	46%	0.459	S	S	.	.			trans	-60	139.7	172.4	-25.2	35.5	0	0	0	111.3	F730 K756 N757	F730-P754 HydrophobicContact CE2-CG 4.29Å; F730-P754 VanDerWaalsContact CZ-CD 3.42Å; F730-P754 HydrophobicContact CZ-CG 4.03Å; P754-K756 HydrophobicContact CB-CD 4.42Å; P754-K756 HydrophobicContact CB-CG 4.06Å; P754-K756 PolarHBondContact O-N 3.46Å; P754-N757 WeakPolarHBondContact O-CA 3.37Å; P754-N757 WeakPolarHBondContact O-CB 3.45Å; P754-N757 PolarHBondContact O-N 3.44Å
755	S	83.4	Confident	84.2	Confident	104 Å²	104	84.6 Å²	84.6	73%	0.727	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-54.6	-32.2	-174.7	-36.4	0	0	0	0	114	N757 M758	S755-N757 PolarHBondContact O-N 2.96Å; S755-M758 PolarHBondContact O-N 2.8Å
756	K	82.1	Confident	83.8	Confident	172 Å²	172	82.1 Å²	82.1	75%	0.748	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-61.2	-19.2	173.8	71.9	-174.2	-179.1	-179.6	0	114.8	P754	P754-K756 HydrophobicContact CB-CD 4.42Å; P754-K756 HydrophobicContact CB-CG 4.06Å; P754-K756 PolarHBondContact O-N 3.46Å
757	N	83	Confident	83.6	Confident	31 Å²	31	82.8 Å²	82.8	17%	0.166	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-96.9	-14.4	177.1	-75.6	79.6	0	0	0	111.9	P754 S755 V768 K769	P754-N757 WeakPolarHBondContact O-CA 3.37Å; P754-N757 WeakPolarHBondContact O-CB 3.45Å; P754-N757 PolarHBondContact O-N 3.44Å; S755-N757 PolarHBondContact O-N 2.96Å; N757-V768 CarbonylContact O-C 3.11Å; N757-V768 WeakPolarHBondContact O-CA 3.43Å; N757-K769 PolarHBondContact ND2-O 3.45Å; N757-K769 PolarHBondContact O-N 2.85Å
758	M	85.2	Confident	83.5	Confident	64 Å²	64	80.1 Å²	80.1	32%	0.315	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	152.6	179.1	-60.6	169.5	75.8	0	0	111	F753 S755 I766 L767 V768	F753-M758 HydrophobicContact CB-CG 4.19Å; S755-M758 PolarHBondContact O-N 2.8Å; M758-I766 HydrophobicContact CE-CD1 4.33Å; M758-I766 HydrophobicContact CE-CG2 3.7Å; M758-L767 CarbonylContact C-O 3.53Å; M758-V768 HydrophobicContact CG-CG1 4.33Å
759	I	83.8	Confident	83.5	Confident	45 Å²	45	77 Å²	77	23%	0.231	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124.8	167.9	-41.4	176.2	0	0	0	106.2	I766 L767 K769 I778	I759-I766 WeakPolarHBondContact O-CA 3.09Å; I759-L767 HydrophobicContact CB-CB 4.41Å; I759-L767 PolarHBondContact N-O 3.12Å; I759-L767 PolarHBondContact O-N 3.16Å; I759-K769 HydrophobicContact CD1-CD 4.3Å; I759-K769 VanDerWaalsContact CD1-CE 3.45Å; I759-K769 HydrophobicContact CD1-CG 3.99Å; I759-K769 HydrophobicContact CG1-CD 4.29Å; I759-K769 HydrophobicContact CG1-CG 4.18Å; I759-I778 HydrophobicContact CD1-CD1 3.78Å; I759-I778 HydrophobicContact CD1-CG1 4.06Å; I759-I778 HydrophobicContact CD1-CG2 3.64Å
760	V	82.4	Confident	83.4	Confident	101 Å²	101	72.9 Å²	72.9	61%	0.612	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	127.7	167.9	-171.4	0	0	0	0	107.1	T765	V760-T765 WeakPolarHBondContact CA-O 3.28Å
761	Q	80.6	Confident	83.2	Confident	94 Å²	94	71.5 Å²	71.5	44%	0.439	39%	0.394	S	S	.	.			trans	-91.6	170.6	174	-60.3	-162.1	-76.9	0	0	110.8	D763 E764 T765 L767	Q761-D763 VanDerWaalsContact CB-OD1 3.29Å; Q761-D763 WeakPolarHBondContact CB-OD1 3.42Å; Q761-D763 PolarHBondContact O-N 2.88Å; Q761-D763 VanDerWaalsContact O-N 3.14Å; Q761-E764 PolarHBondContact O-N 3.47Å; Q761-T765 PolarHBondContact N-O 3.17Å; Q761-T765 PolarHBondContact OE1-OG1 3.48Å; Q761-L767 HydrophobicContact CG-CD1 4.26Å
762	S	70.5	Confident	82.7	Confident	139 Å²	139	72.8 Å²	72.8	97%	0.972	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-4.8	-176.3	51.1	0	0	0	0	114.8
763	D	75.6	Confident	81.8	Confident	99 Å²	99	82.6 Å²	82.6	53%	0.529	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	20.4	176.4	64.6	-8.4	0	0	0	112.2	Q761 T765	Q761-D763 VanDerWaalsContact CB-OD1 3.29Å; Q761-D763 WeakPolarHBondContact CB-OD1 3.42Å; Q761-D763 PolarHBondContact O-N 2.88Å; Q761-D763 VanDerWaalsContact O-N 3.14Å; D763-T765 PolarHBondContact O-N 3.4Å; D763-T765 VanDerWaalsContact O-N 3.09Å; D763-T765 WeakPolarHBondContact OD1-CB 3.48Å; D763-T765 WeakPolarHBondContact OD1-CG2 3.49Å; D763-T765 PolarHBondContact OD1-N 2.85Å; D763-T765 PolarHBondContact OD1-OG1 3.45Å; D763-T765 WeakPolarHBondContact OD2-CG2 3.43Å; D763-T765 PolarHBondContact OD2-OG1 2.83Å
764	E	71.8	Confident	80.6	Confident	173 Å²	173	89.5 Å²	89.5	81%	0.808	46%	0.464	S	S	*	.	S	Bend	trans	62.1	4.2	-174	-52.7	-169.2	149	0	0	115.3	Q761	Q761-E764 PolarHBondContact O-N 3.47Å
765	T	78.3	Confident	80	Confident	57 Å²	57	93.1 Å²	93.1	35%	0.35	48%	0.481	S	S	.	.			trans	-71.9	141.4	178.4	66.3	0	0	0	0	112.1	V760 Q761 D763	V760-T765 WeakPolarHBondContact CA-O 3.28Å; Q761-T765 PolarHBondContact N-O 3.17Å; Q761-T765 PolarHBondContact OE1-OG1 3.48Å; D763-T765 PolarHBondContact O-N 3.4Å; D763-T765 VanDerWaalsContact O-N 3.09Å; D763-T765 WeakPolarHBondContact OD1-CB 3.48Å; D763-T765 WeakPolarHBondContact OD1-CG2 3.49Å; D763-T765 PolarHBondContact OD1-N 2.85Å; D763-T765 PolarHBondContact OD1-OG1 3.45Å; D763-T765 WeakPolarHBondContact OD2-CG2 3.43Å; D763-T765 PolarHBondContact OD2-OG1 2.83Å
766	I	83.2	Confident	79.9	Confident	81 Å²	81	94.1 Å²	94.1	42%	0.415	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	112.2	-177.2	-59.6	175.4	0	0	0	109.4	M758 I759 P781	M758-I766 HydrophobicContact CE-CD1 4.33Å; M758-I766 HydrophobicContact CE-CG2 3.7Å; I759-I766 WeakPolarHBondContact O-CA 3.09Å; I766-P781 WeakPolarHBondContact O-CD 3.41Å
767	L	87.5	Confident	80.2	Confident	36 Å²	36	91.6 Å²	91.6	19%	0.188	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	156.1	172	-58.4	178.7	0	0	0	110.5	M758 I759 Q761 I778 D780	M758-L767 CarbonylContact C-O 3.53Å; I759-L767 HydrophobicContact CB-CB 4.41Å; I759-L767 PolarHBondContact N-O 3.12Å; I759-L767 PolarHBondContact O-N 3.16Å; Q761-L767 HydrophobicContact CG-CD1 4.26Å; L767-I778 HydrophobicContact CB-CG2 3.78Å; L767-I778 HydrophobicContact CD1-CG2 3.81Å; L767-I778 HydrophobicContact CG-CG2 4.41Å; L767-D780 HydrophobicContact CD2-CB 4.25Å
768	V	89.7	Confident	80.4	Confident	1 Å²	1	94.6 Å²	94.6	1%	0.006	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	135.1	177.1	-72.5	0	0	0	0	112.5	F753 N757 M758 I770 I778 V779 P781 L784	F753-V768 HydrophobicContact CB-CG1 4.16Å; F753-V768 HydrophobicContact CD1-CB 4.12Å; F753-V768 HydrophobicContact CD1-CG1 3.74Å; F753-V768 HydrophobicContact CD1-CG2 4.38Å; F753-V768 HydrophobicContact CD2-CG1 4.1Å; F753-V768 HydrophobicContact CE1-CB 4.15Å; F753-V768 HydrophobicContact CE1-CG1 4.08Å; F753-V768 HydrophobicContact CE1-CG2 3.9Å; F753-V768 HydrophobicContact CE2-CG1 4.41Å; F753-V768 HydrophobicContact CG-CG1 3.74Å; F753-V768 HydrophobicContact CZ-CG1 4.4Å; F753-V768 HydrophobicContact CZ-CG2 4.12Å; N757-V768 CarbonylContact O-C 3.11Å; N757-V768 WeakPolarHBondContact O-CA 3.43Å; M758-V768 HydrophobicContact CG-CG1 4.33Å; V768-I770 HydrophobicContact CB-CG2 4.43Å; V768-I770 HydrophobicContact CG2-CG2 4.01Å; V768-I778 WeakPolarHBondContact O-CA 3.21Å; V768-V779 WeakPolarHBondContact CG2-O 3.34Å; V768-V779 PolarHBondContact N-O 3.3Å; V768-V779 PolarHBondContact O-N 2.83Å; V768-P781 HydrophobicContact CB-CG 4.46Å; V768-P781 HydrophobicContact CG1-CG 3.9Å; V768-P781 HydrophobicContact CG2-CB 4.33Å; V768-P781 HydrophobicContact CG2-CG 3.86Å; V768-L784 HydrophobicContact CG2-CD1 3.79Å
769	K	87.9	Confident	80.6	Confident	80 Å²	80	92.3 Å²	92.3	35%	0.348	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	112.5	169.3	-68.3	169.9	179.5	164.8	0	108.5	N757 I759 E777 I778	N757-K769 PolarHBondContact ND2-O 3.45Å; N757-K769 PolarHBondContact O-N 2.85Å; I759-K769 HydrophobicContact CD1-CD 4.3Å; I759-K769 VanDerWaalsContact CD1-CE 3.45Å; I759-K769 HydrophobicContact CD1-CG 3.99Å; I759-K769 HydrophobicContact CG1-CD 4.29Å; I759-K769 HydrophobicContact CG1-CG 4.18Å; K769-E777 WeakPolarHBondContact CA-O 3.29Å; K769-I778 HydrophobicContact CG-CG1 4.12Å
770	I	86.9	Confident	80.8	Confident	5 Å²	5	92.2 Å²	92.2	3%	0.026	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	167.7	177	67.7	175.2	0	0	0	110.3	F730 V768 K776 E777 V779 L784	F730-I770 HydrophobicContact CB-CB 4.31Å; F730-I770 HydrophobicContact CB-CG2 3.78Å; V768-I770 HydrophobicContact CB-CG2 4.43Å; V768-I770 HydrophobicContact CG2-CG2 4.01Å; I770-K776 VanDerWaalsContact O-CA 3.29Å; I770-K776 WeakPolarHBondContact O-CA 3.39Å; I770-E777 HydrophobicContact CD1-CB 4.48Å; I770-E777 HydrophobicContact CG1-CB 3.94Å; I770-E777 PolarHBondContact N-O 3.39Å; I770-E777 PolarHBondContact O-N 2.76Å; I770-V779 HydrophobicContact CD1-CB 4.38Å; I770-V779 HydrophobicContact CD1-CG2 3.73Å; I770-V779 HydrophobicContact CG1-CG2 4.09Å; I770-L784 HydrophobicContact CD1-CD1 4.23Å; I770-L784 HydrophobicContact CD1-CD2 3.63Å; I770-L784 HydrophobicContact CG2-CD1 3.88Å
771	G	82.2	Confident	81.1	Confident	22 Å²	22	87.6 Å²	87.6	23%	0.227	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	87.1	179.6	179.8	0	0	0	0	0	114.2	D729 D775	D729-G771 PolarHBondContact O-N 2.88Å; G771-D775 CarbonylContact C-O 3.54Å; G771-D775 WeakPolarHBondContact CA-O 3.44Å
772	K	78.4	Confident	81.4	Confident	140 Å²	140	92 Å²	92	61%	0.609	45%	0.452	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.9	168.1	-169.1	-74.9	177.8	-179.8	172	0	111.9	D729 N774 D775 K776	D729-K772 VanDerWaalsContact OD2-CG 3.3Å; D729-K772 WeakPolarHBondContact OD2-CG 3.5Å; K772-N774 PolarHBondContact O-N 2.9Å; K772-D775 PolarHBondContact N-O 2.66Å; K772-D775 CarbonylContact O-C 3.53Å; K772-D775 VanDerWaalsContact O-C 3.28Å; K772-D775 PolarHBondContact O-N 3.09Å; K772-K776 WeakPolarHBondContact O-CG 3.3Å
773	R	68.3	Low	82.3	Confident	224 Å²	224	92 Å²	92	85%	0.845	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-31.6	-175.3	-169.3	171.8	-175.9	164	0.3	114.4
774	N	66.8	Low	83	Confident	161 Å²	161	87.6 Å²	87.6	86%	0.861	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	-6	-175.9	-56.3	14	0	0	0	113.4	K772	K772-N774 PolarHBondContact O-N 2.9Å
775	D	73.4	Confident	84.1	Confident	126 Å²	126	80.3 Å²	80.3	67%	0.674	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147	85.4	-171.9	177.9	24.4	0	0	0	107.3	G771 K772	G771-D775 CarbonylContact C-O 3.54Å; G771-D775 WeakPolarHBondContact CA-O 3.44Å; K772-D775 PolarHBondContact N-O 2.66Å; K772-D775 CarbonylContact O-C 3.53Å; K772-D775 VanDerWaalsContact O-C 3.28Å; K772-D775 PolarHBondContact O-N 3.09Å
776	K	80.4	Confident	85	Confident	126 Å²	126	83.9 Å²	83.9	55%	0.548	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	110.9	-172.3	-68.3	-167.2	-177.6	-177.6	0	111.3	I770 K772	I770-K776 VanDerWaalsContact O-CA 3.29Å; I770-K776 WeakPolarHBondContact O-CA 3.39Å; K772-K776 WeakPolarHBondContact O-CG 3.3Å
777	E	88.1	Confident	85.4	Confident	119 Å²	119	82.7 Å²	82.7	56%	0.556	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.6	145.3	171.1	-151.6	-171.5	165.8	0	0	110	K769 I770 V779	K769-E777 WeakPolarHBondContact CA-O 3.29Å; I770-E777 HydrophobicContact CD1-CB 4.48Å; I770-E777 HydrophobicContact CG1-CB 3.94Å; I770-E777 PolarHBondContact N-O 3.39Å; I770-E777 PolarHBondContact O-N 2.76Å; E777-V779 HydrophobicContact CB-CG2 3.84Å; E777-V779 HydrophobicContact CG-CG2 3.49Å; E777-V779 VanDerWaalsContact CG-CG2 3.49Å; E777-V779 WeakPolarHBondContact OE1-CG2 3.21Å
778	I	88.4	Confident	85.8	Confident	94 Å²	94	81.4 Å²	81.4	48%	0.482	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	112.4	170.3	-62.1	173.7	0	0	0	107	I759 L767 V768 K769	I759-I778 HydrophobicContact CD1-CD1 3.78Å; I759-I778 HydrophobicContact CD1-CG1 4.06Å; I759-I778 HydrophobicContact CD1-CG2 3.64Å; L767-I778 HydrophobicContact CB-CG2 3.78Å; L767-I778 HydrophobicContact CD1-CG2 3.81Å; L767-I778 HydrophobicContact CG-CG2 4.41Å; V768-I778 WeakPolarHBondContact O-CA 3.21Å; K769-I778 HydrophobicContact CG-CG1 4.12Å
779	V	88.8	Confident	86	Confident	15 Å²	15	86.7 Å²	86.7	9%	0.091	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.3	-169.7	-163.4	0	0	0	0	110.9	V768 I770 E777 P781 K783 L784	V768-V779 WeakPolarHBondContact CG2-O 3.34Å; V768-V779 PolarHBondContact N-O 3.3Å; V768-V779 PolarHBondContact O-N 2.83Å; I770-V779 HydrophobicContact CD1-CB 4.38Å; I770-V779 HydrophobicContact CD1-CG2 3.73Å; I770-V779 HydrophobicContact CG1-CG2 4.09Å; E777-V779 HydrophobicContact CB-CG2 3.84Å; E777-V779 HydrophobicContact CG-CG2 3.49Å; E777-V779 VanDerWaalsContact CG-CG2 3.49Å; E777-V779 WeakPolarHBondContact OE1-CG2 3.21Å; V779-P781 WeakPolarHBondContact O-CD 3.38Å; V779-K783 HydrophobicContact CG1-CB 4.13Å; V779-K783 HydrophobicContact CG1-CD 4.48Å; V779-L784 HydrophobicContact CB-CD2 4.14Å; V779-L784 HydrophobicContact CG1-CD2 3.86Å; V779-L784 HydrophobicContact CG1-CG 4.45Å
780	D	88.7	Confident	86.3	Confident	44 Å²	44	84.5 Å²	84.5	24%	0.235	41%	0.407	C	S	.	.			trans	-60.8	121.1	163.6	162	13.9	0	0	0	109.5	L767 R782 K783	L767-D780 HydrophobicContact CD2-CB 4.25Å; D780-R782 PolarHBondContact O-N 3.36Å; D780-R782 VanDerWaalsContact OD1-CB 3.25Å; D780-R782 WeakPolarHBondContact OD1-CB 3.28Å; D780-R782 WeakPolarHBondContact OD1-CG 3.36Å; D780-R782 PolarHBondContact OD1-N 2.93Å; D780-K783 HydrophobicContact CB-CD 3.98Å; D780-K783 HydrophobicContact CB-CG 4.09Å; D780-K783 WeakPolarHBondContact O-CB 3.46Å; D780-K783 PolarHBondContact O-N 2.78Å; D780-K783 WeakPolarHBondContact OD2-CE 3.44Å
781	P	86.9	Confident	86.4	Confident	3 Å²	3	90 Å²	90	2%	0.019	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-49.6	-35.1	179.4	-26.3	31.4	0	0	0	114.2	Y747 F753 I766 V768 V779 K783 L784 F785	Y747-P781 HydrophobicContact CD2-CB 4.24Å; Y747-P781 HydrophobicContact CE2-CB 3.47Å; Y747-P781 VanDerWaalsContact CE2-CB 3.47Å; Y747-P781 HydrophobicContact CE2-CG 4.22Å; F753-P781 HydrophobicContact CE2-CB 4.03Å; F753-P781 HydrophobicContact CZ-CB 4.34Å; I766-P781 WeakPolarHBondContact O-CD 3.41Å; V768-P781 HydrophobicContact CB-CG 4.46Å; V768-P781 HydrophobicContact CG1-CG 3.9Å; V768-P781 HydrophobicContact CG2-CB 4.33Å; V768-P781 HydrophobicContact CG2-CG 3.86Å; V779-P781 WeakPolarHBondContact O-CD 3.38Å; P781-K783 VanDerWaalsContact C-N 3.28Å; P781-K783 PolarHBondContact O-N 3.16Å; P781-L784 WeakPolarHBondContact O-CB 3.25Å; P781-L784 PolarHBondContact O-N 3.2Å; P781-L784 VanDerWaalsContact O-N 3.08Å; P781-F785 WeakPolarHBondContact O-CD2 3.32Å
782	R	87.1	Confident	86.7	Confident	186 Å²	186	90.7 Å²	90.7	70%	0.702	44%	0.436	S	S	*	.	G	3₁₀ helix	trans	-63.3	-36.2	-177.4	-59	172.8	177	177.8	1	111.3	Y747 D780 L784 F785	Y747-R782 WeakPolarHBondContact OH-CG 3.2Å; D780-R782 PolarHBondContact O-N 3.36Å; D780-R782 VanDerWaalsContact OD1-CB 3.25Å; D780-R782 WeakPolarHBondContact OD1-CB 3.28Å; D780-R782 WeakPolarHBondContact OD1-CG 3.36Å; D780-R782 PolarHBondContact OD1-N 2.93Å; R782-L784 PolarHBondContact O-N 2.9Å; R782-F785 PolarHBondContact O-N 3.1Å
783	K	90	Very high	87.3	Confident	139 Å²	139	87 Å²	87	60%	0.604	42%	0.42	S	S	*	.	G	3₁₀ helix	trans	-67.6	-17.1	177.7	-61.5	177.6	-170.7	173.8	0	112.8	K732 V779 D780 P781 F785	K732-K783 PolarHBondContact NZ-O 3.18Å; V779-K783 HydrophobicContact CG1-CB 4.13Å; V779-K783 HydrophobicContact CG1-CD 4.48Å; D780-K783 HydrophobicContact CB-CD 3.98Å; D780-K783 HydrophobicContact CB-CG 4.09Å; D780-K783 WeakPolarHBondContact O-CB 3.46Å; D780-K783 PolarHBondContact O-N 2.78Å; D780-K783 WeakPolarHBondContact OD2-CE 3.44Å; P781-K783 VanDerWaalsContact C-N 3.28Å; P781-K783 PolarHBondContact O-N 3.16Å; K783-F785 VanDerWaalsContact C-N 3.33Å
784	L	90.9	Very high	88.4	Confident	8 Å²	8	83.1 Å²	83.1	4%	0.042	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-79.9	-16.1	178.6	-52.8	-179.1	0	0	0	113	P724 K732 F753 V768 I770 V779 P781 R782	P724-L784 HydrophobicContact CB-CB 3.92Å; P724-L784 HydrophobicContact CB-CD1 3.95Å; P724-L784 HydrophobicContact CG-CB 3.78Å; P724-L784 HydrophobicContact CG-CD1 4.28Å; K732-L784 WeakPolarHBondContact CD-O 3.37Å; K732-L784 WeakPolarHBondContact CE-O 3.35Å; K732-L784 VanDerWaalsContact CG-O 3.27Å; K732-L784 WeakPolarHBondContact CG-O 3.46Å; F753-L784 HydrophobicContact CE1-CD1 4.26Å; F753-L784 HydrophobicContact CZ-CD1 4.07Å; V768-L784 HydrophobicContact CG2-CD1 3.79Å; I770-L784 HydrophobicContact CD1-CD1 4.23Å; I770-L784 HydrophobicContact CD1-CD2 3.63Å; I770-L784 HydrophobicContact CG2-CD1 3.88Å; V779-L784 HydrophobicContact CB-CD2 4.14Å; V779-L784 HydrophobicContact CG1-CD2 3.86Å; V779-L784 HydrophobicContact CG1-CG 4.45Å; P781-L784 WeakPolarHBondContact O-CB 3.25Å; P781-L784 PolarHBondContact O-N 3.2Å; P781-L784 VanDerWaalsContact O-N 3.08Å; R782-L784 PolarHBondContact O-N 2.9Å
785	F	94.6	Very high	89.5	Confident	20 Å²	20	77 Å²	77	9%	0.088	37%	0.372	C	S	.	.			trans	-92	152.7	175.4	-66.9	-86.8	0	0	0	112	Q722 A723 P724 K732 F740 H743 Y744 Y747 L752 P781 R782 K783	Q722-F785 CarbonylContact O-C 3.58Å; Q722-F785 WeakPolarHBondContact O-CA 3.39Å; A723-F785 HydrophobicContact CB-CD1 4.05Å; A723-F785 HydrophobicContact CB-CE1 3.98Å; P724-F785 HydrophobicContact CG-CE1 4.28Å; P724-F785 HydrophobicContact CG-CE2 3.84Å; P724-F785 HydrophobicContact CG-CZ 3.7Å; K732-F785 PolarHBondContact NZ-O 2.73Å; F740-F785 HydrophobicContact CD2-CD1 4.4Å; F740-F785 HydrophobicContact CE2-CB 3.91Å; F740-F785 AromaticContact CE2-CD1 3.67Å; F740-F785 HydrophobicContact CE2-CD1 3.67Å; F740-F785 HydrophobicContact CE2-CG 4.29Å; F740-F785 HydrophobicContact CZ-CB 4.06Å; F740-F785 AromaticContact CZ-CD1 3.95Å; F740-F785 HydrophobicContact CZ-CD1 3.95Å; F740-F785 HydrophobicContact CZ-CG 4.44Å; H743-F785 HydrophobicContact CB-CE1 4.45Å; Y744-F785 AromaticContact CD2-CD1 3.9Å; Y744-F785 HydrophobicContact CD2-CD1 3.9Å; Y744-F785 HydrophobicContact CD2-CD2 4.46Å; Y744-F785 HydrophobicContact CD2-CE1 4.04Å; Y744-F785 HydrophobicContact CD2-CG 4.12Å; Y744-F785 HydrophobicContact CD2-CZ 4.4Å; Y747-F785 HydrophobicContact CD1-CD2 4.27Å; Y747-F785 AromaticContact CD1-CE2 3.65Å; Y747-F785 HydrophobicContact CD1-CE2 3.65Å; Y747-F785 HydrophobicContact CD1-CZ 4.1Å; Y747-F785 HydrophobicContact CD2-CE2 4.36Å; Y747-F785 HydrophobicContact CE1-CE2 4.28Å; Y747-F785 AromaticContact CG-CE2 3.7Å; Y747-F785 HydrophobicContact CG-CE2 3.7Å; Y747-F785 AromaticContact CG-CZ 3.93Å; Y747-F785 HydrophobicContact CG-CZ 3.93Å; L752-F785 HydrophobicContact CD2-CZ 3.86Å; P781-F785 WeakPolarHBondContact O-CD2 3.32Å; R782-F785 PolarHBondContact O-N 3.1Å; K783-F785 VanDerWaalsContact C-N 3.33Å
786	K	95.9	Very high	90	Very high	132 Å²	132	72.2 Å²	72.2	57%	0.574	34%	0.344	S	S	*	.	B	Isolated β-bridge	trans	-152.8	112.7	161.3	-178.1	171.5	-178.1	167.9	0	107.9	G721 Q722 F740	G721-K786 CarbonylContact C-O 3.24Å; G721-K786 VanDerWaalsContact CA-O 3.23Å; G721-K786 WeakPolarHBondContact CA-O 3.34Å; Q722-K786 HydrophobicContact CB-CB 4.09Å; Q722-K786 HydrophobicContact CG-CB 4.36Å; Q722-K786 PolarHBondContact N-O 2.88Å; Q722-K786 PolarHBondContact O-N 2.83Å; F740-K786 VanDerWaalsContact CE2-C 3.4Å; F740-K786 VanDerWaalsContact CE2-O 3.31Å; F740-K786 WeakPolarHBondContact CE2-O 3.18Å
787	A	93.2	Very high	89.9	Confident	55 Å²	55	70.1 Å²	70.1	46%	0.455	34%	0.339	S	S	.	.			trans	-61.8	146.9	-179.7	0	0	0	0	0	111.5	F740 Y791	F740-A787 HydrophobicContact CE1-CB 4Å; F740-A787 HydrophobicContact CZ-CB 3.99Å; A787-Y791 HydrophobicContact CB-CD2 4.3Å
788	P	95.2	Very high	89.1	Confident	9 Å²	9	66 Å²	66	6%	0.058	32%	0.322	C	S	.	.			trans	-65.6	163.7	162	30.9	-34.9	0	0	0	110.8	F718	F718-P788 WeakPolarHBondContact O-CB 3.33Å
789	V	94.3	Very high	88	Confident	113 Å²	113	67.8 Å²	67.8	69%	0.685	33%	0.328	S	S	*	.	S	Bend	trans	-70.7	-42.5	169.7	179.9	0	0	0	0	109.9	F718 Y791	F718-V789 HydrophobicContact CB-CB 4.25Å; F718-V789 HydrophobicContact CD1-CB 4.37Å; F718-V789 HydrophobicContact CD1-CG1 4.48Å; F718-V789 HydrophobicContact CD1-CG2 4.35Å; F718-V789 PolarHBondContact O-N 2.84Å; V789-Y791 VanDerWaalsContact C-N 3.3Å; V789-Y791 PolarHBondContact O-N 2.84Å; V789-Y791 VanDerWaalsContact O-N 3.14Å
790	N	92.9	Very high	87.1	Confident	33 Å²	33	71.4 Å²	71.4	18%	0.176	34%	0.344	C	S	.	.	S	Bend	trans	-90.1	68.5	176.7	-63.5	16.7	0	0	0	109.2	F718 S737 F793	F718-N790 PolarHBondContact O-N 2.9Å; S737-N790 VanDerWaalsContact CB-O 3.29Å; S737-N790 WeakPolarHBondContact CB-O 3.43Å; S737-N790 PolarHBondContact OG-O 2.78Å; N790-F793 HydrophobicContact CB-CD1 4.26Å; N790-F793 HydrophobicContact CB-CD2 3.78Å; N790-F793 HydrophobicContact CB-CE1 4.34Å; N790-F793 HydrophobicContact CB-CE2 3.88Å; N790-F793 HydrophobicContact CB-CG 4Å; N790-F793 HydrophobicContact CB-CZ 4.16Å
791	Y	90.8	Very high	86	Confident	120 Å²	120	71.4 Å²	71.4	47%	0.471	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.4	152.8	177.6	-175.5	-88.2	0	0	0	112.1	S737 F740 D741 A787 V789 F793	S737-Y791 WeakPolarHBondContact OG-CA 3.28Å; F740-Y791 HydrophobicContact CD1-CD2 4.11Å; F740-Y791 AromaticContact CD1-CE2 3.72Å; F740-Y791 HydrophobicContact CD1-CE2 3.72Å; F740-Y791 HydrophobicContact CE1-CD2 4.26Å; F740-Y791 AromaticContact CE1-CE2 3.75Å; F740-Y791 HydrophobicContact CE1-CE2 3.75Å; D741-Y791 WeakPolarHBondContact OD1-CD2 3.47Å; D741-Y791 WeakPolarHBondContact OD1-CE2 3.35Å; D741-Y791 VanDerWaalsContact OD1-CZ 3.3Å; A787-Y791 HydrophobicContact CB-CD2 4.3Å; V789-Y791 VanDerWaalsContact C-N 3.3Å; V789-Y791 PolarHBondContact O-N 2.84Å; V789-Y791 VanDerWaalsContact O-N 3.14Å; Y791-F793 WeakPolarHBondContact O-CD1 3.32Å; Y791-F793 PolarHBondContact O-N 2.66Å
792	G	87.3	Confident	85.1	Confident	37 Å²	37	76.8 Å²	76.8	38%	0.381	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.7	-5.8	-177.5	0	0	0	0	0	116	S737 D741	S737-G792 PolarHBondContact OG-N 2.85Å; D741-G792 WeakPolarHBondContact OD2-CA 3.37Å; D741-G792 PolarHBondContact OD2-N 2.93Å
793	F	92.2	Very high	84.3	Confident	64 Å²	64	71.1 Å²	71.1	28%	0.281	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-71.2	134.5	-176.7	-80.3	31.2	0	0	0	111.1	M692 E693 C695 S737 E738 N790 Y791	M692-F793 HydrophobicContact CB-CB 4.24Å; M692-F793 HydrophobicContact CB-CD2 4.35Å; M692-F793 HydrophobicContact CE-CB 4.47Å; M692-F793 WeakPolarHBondContact CE-O 3.47Å; E693-F793 WeakPolarHBondContact O-CD2 3.33Å; C695-F793 HydrophobicContact CB-CD2 4.17Å; C695-F793 HydrophobicContact CB-CE2 4.18Å; S737-F793 WeakPolarHBondContact CB-O 3.43Å; S737-F793 PolarHBondContact OG-N 2.56Å; E738-F793 PolarHBondContact N-O 3.15Å; N790-F793 HydrophobicContact CB-CD1 4.26Å; N790-F793 HydrophobicContact CB-CD2 3.78Å; N790-F793 HydrophobicContact CB-CE1 4.34Å; N790-F793 HydrophobicContact CB-CE2 3.88Å; N790-F793 HydrophobicContact CB-CG 4Å; N790-F793 HydrophobicContact CB-CZ 4.16Å; Y791-F793 WeakPolarHBondContact O-CD1 3.32Å; Y791-F793 PolarHBondContact O-N 2.66Å
794	R	91.6	Very high	83.5	Confident	141 Å²	141	68 Å²	68	53%	0.532	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-95.2	164.3	-177	-62.4	-59.4	179.1	144.2	-1.7	113.5	M692 E693 E738 R796	M692-R794 WeakPolarHBondContact CA-O 3.39Å; M692-R794 WeakPolarHBondContact CE-O 3.42Å; E693-R794 PolarHBondContact N-O 3.21Å; E738-R794 WeakPolarHBondContact OE2-CD 3.46Å; R794-R796 PolarHBondContact O-N 2.87Å
795	H	89.6	Confident	83.1	Confident	34 Å²	34	68.2 Å²	68.2	16%	0.157	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-63.1	122.2	169.4	-66.9	124	0	0	0	110.5	C711 W713 C736 E738	C711-H795 PolarHBondContact SG-NE2 2.85Å; W713-H795 HydrophobicContact CD2-CB 4.32Å; W713-H795 AromaticContact CD2-CD2 3.29Å; W713-H795 AromaticContact CD2-CG 3.95Å; W713-H795 AromaticContact CE2-CD2 3.76Å; W713-H795 AromaticContact CE2-CG 3.98Å; W713-H795 HydrophobicContact CE3-CB 4.04Å; W713-H795 AromaticContact CE3-CD2 3.44Å; W713-H795 VanDerWaalsContact CE3-CD2 3.44Å; W713-H795 AromaticContact CG-CD2 3.63Å; W713-H795 AromaticContact CG-NE2 3.86Å; W713-H795 HydrophobicContact CH2-CB 3.66Å; W713-H795 HydrophobicContact CZ2-CB 3.9Å; W713-H795 HydrophobicContact CZ3-CB 3.72Å; C736-H795 PolarHBondContact SG-NE2 2.99Å; E738-H795 IonicContact OE1-CE1 3.82Å; E738-H795 PolarHBondContact OE1-CE1 3.28Å; E738-H795 VanDerWaalsContact OE1-CE1 3.26Å; E738-H795 IonicContact OE1-ND1 2.64Å; E738-H795 PolarHBondContact OE1-ND1 3.3Å; E738-H795 IonicContact OE2-CE1 3.03Å; E738-H795 IonicContact OE2-CG 2.72Å; E738-H795 PolarHBondContact OE2-N 3.37Å; E738-H795 IonicContact OE2-ND1 2.65Å; E738-H795 PolarHBondContact OE2-ND1 2.71Å
796	R	83.7	Confident	82.6	Confident	24 Å²	24	69.7 Å²	69.7	9%	0.091	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-59.8	135.1	179	-179.7	-165.1	-63.4	-172.8	-13.3	111.1	E689 C690 L691 E693 C695 W713 R794 V798 L840	E689-R796 IonicContact OE1-CZ 2.85Å; E689-R796 IonicContact OE1-NH1 2.84Å; E689-R796 PolarHBondContact OE1-NH1 3.07Å; E689-R796 IonicContact OE1-NH2 3.37Å; E689-R796 PolarHBondContact OE1-NH2 2.8Å; C690-R796 PolarHBondContact O-NH2 2.61Å; L691-R796 WeakPolarHBondContact O-CB 3.17Å; L691-R796 PolarHBondContact O-N 2.89Å; L691-R796 VanDerWaalsContact O-N 3.12Å; E693-R796 HydrophobicContact CB-CB 4.46Å; C695-R796 PolarHBondContact O-NH2 2.64Å; W713-R796 VanDerWaalsContact CH2-O 3.29Å; W713-R796 WeakPolarHBondContact CH2-O 3.24Å; W713-R796 HydrophobicContact CZ3-CB 4.5Å; R794-R796 PolarHBondContact O-N 2.87Å; R796-V798 PolarHBondContact O-N 2.9Å; R796-L840 PolarHBondContact NH1-O 3.01Å; R796-L840 VanDerWaalsContact NH1-O 3.14Å
797	N	78.8	Confident	82.2	Confident	82 Å²	82	63.8 Å²	63.8	44%	0.439	33%	0.328	S	S	.	.			trans	-62	109.3	175.6	-164.9	-9.4	0	0	0	112	E799 E800	N797-E799 PolarHBondContact OD1-N 3.02Å; N797-E800 HydrophobicContact CB-CB 4.36Å; N797-E800 VanDerWaalsContact ND2-CB 3.33Å; N797-E800 WeakPolarHBondContact ND2-CB 3.39Å; N797-E800 PolarHBondContact ND2-OE2 3.22Å; N797-E800 PolarHBondContact OD1-N 3.21Å
798	V	69.3	Low	82	Confident	33 Å²	33	63.4 Å²	63.4	20%	0.2	32%	0.316	C	S	.	.			trans	-90.6	-32.8	-179.4	158.3	0	0	0	0	112.1	W713 R796 L840	W713-V798 HydrophobicContact CH2-CG2 4.03Å; R796-V798 PolarHBondContact O-N 2.9Å; V798-L840 HydrophobicContact CG1-CD2 3.59Å; V798-L840 HydrophobicContact CG2-CD1 4.08Å; V798-L840 HydrophobicContact CG2-CD2 4.14Å
799	E	66.4	Low	81.7	Confident	131 Å²	131	63.6 Å²	63.6	61%	0.612	32%	0.319	S	S	*	.	H	α-helix	trans	-74.2	-33.2	-174.3	-59.7	-150.7	139.7	0	0	112.4	N797 K801 R802 A803	N797-E799 PolarHBondContact OD1-N 3.02Å; E799-K801 PolarHBondContact O-N 3.33Å; E799-R802 PolarHBondContact O-N 3.41Å; E799-R802 VanDerWaalsContact O-N 3.08Å; E799-A803 PolarHBondContact O-N 2.87Å
800	E	70.3	Confident	81.5	Confident	92 Å²	92	63.2 Å²	63.2	43%	0.43	31%	0.306	S	S	.	.	H	α-helix	trans	-58.4	-41.2	-176.2	175.6	167.8	-166.6	0	0	113.8	N797 R802 A803 Q804	N797-E800 HydrophobicContact CB-CB 4.36Å; N797-E800 VanDerWaalsContact ND2-CB 3.33Å; N797-E800 WeakPolarHBondContact ND2-CB 3.39Å; N797-E800 PolarHBondContact ND2-OE2 3.22Å; N797-E800 PolarHBondContact OD1-N 3.21Å; E800-R802 VanDerWaalsContact C-N 3.29Å; E800-R802 PolarHBondContact O-N 3.21Å; E800-A803 WeakPolarHBondContact O-CB 3.41Å; E800-A803 PolarHBondContact O-N 3.31Å; E800-A803 VanDerWaalsContact O-N 3.11Å; E800-Q804 HydrophobicContact CG-CG 4.5Å; E800-Q804 VanDerWaalsContact CG-NE2 3.31Å; E800-Q804 WeakPolarHBondContact O-CG 3.23Å; E800-Q804 PolarHBondContact O-N 3.29Å; E800-Q804 PolarHBondContact OE1-NE2 3.4Å; E800-Q804 VanDerWaalsContact OE1-NE2 3.15Å
801	K	66.1	Low	81.5	Confident	44 Å²	44	61.6 Å²	61.6	19%	0.191	30%	0.297	C	S	.	.	H	α-helix	trans	-58.8	-39.5	175.3	-65.3	-178	-174.6	172.9	0	112.7	E799 S805 L840 D841	E799-K801 PolarHBondContact O-N 3.33Å; K801-S805 PolarHBondContact O-N 3.12Å; K801-L840 PolarHBondContact NZ-O 3Å; K801-D841 PolarHBondContact NZ-O 3.03Å
802	R	67.6	Low	81.5	Confident	116 Å²	116	57.7 Å²	57.7	44%	0.438	28%	0.282	S	S	.	.	H	α-helix	trans	-71.9	-40.3	176.1	-70.3	179.4	176.2	160.6	-5.1	110.4	E799 E800 Q804 S805 E839	E799-R802 PolarHBondContact O-N 3.41Å; E799-R802 VanDerWaalsContact O-N 3.08Å; E800-R802 VanDerWaalsContact C-N 3.29Å; E800-R802 PolarHBondContact O-N 3.21Å; R802-Q804 VanDerWaalsContact C-N 3.34Å; R802-Q804 PolarHBondContact O-N 2.74Å; R802-S805 PolarHBondContact O-N 3.34Å; R802-S805 VanDerWaalsContact O-N 3.15Å; R802-S805 PolarHBondContact O-OG 3.5Å; R802-E839 IonicContact CZ-OE1 3.11Å; R802-E839 IonicContact NE-OE1 2.66Å; R802-E839 IonicContact NH2-OE1 3.38Å; R802-E839 PolarHBondContact NH2-OE1 3.5Å; R802-E839 IonicContact NH2-OE2 2.92Å
803	A	70.6	Confident	81.6	Confident	66 Å²	66	56.4 Å²	56.4	55%	0.545	27%	0.266	S	S	.	.	H	α-helix	trans	-61	-39.6	177.2	0	0	0	0	0	112.8	E799 E800 S805 R828	E799-A803 PolarHBondContact O-N 2.87Å; E800-A803 WeakPolarHBondContact O-CB 3.41Å; E800-A803 PolarHBondContact O-N 3.31Å; E800-A803 VanDerWaalsContact O-N 3.11Å; A803-S805 VanDerWaalsContact C-N 3.27Å; A803-S805 PolarHBondContact O-N 2.98Å; A803-R828 PolarHBondContact O-NH1 3.43Å
804	Q	71.9	Confident	81.2	Confident	74 Å²	74	59.3 Å²	59.3	35%	0.346	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-7.7	177.1	-68.8	170.1	2.2	0	0	114	E800 R802 R828	E800-Q804 HydrophobicContact CG-CG 4.5Å; E800-Q804 VanDerWaalsContact CG-NE2 3.31Å; E800-Q804 WeakPolarHBondContact O-CG 3.23Å; E800-Q804 PolarHBondContact O-N 3.29Å; E800-Q804 PolarHBondContact OE1-NE2 3.4Å; E800-Q804 VanDerWaalsContact OE1-NE2 3.15Å; R802-Q804 VanDerWaalsContact C-N 3.34Å; R802-Q804 PolarHBondContact O-N 2.74Å; Q804-R828 WeakPolarHBondContact O-CB 3.29Å; Q804-R828 PolarHBondContact O-N 2.73Å
805	S	82.3	Confident	80.5	Confident	12 Å²	12	54.3 Å²	54.3	8%	0.084	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	144.9	179.4	73.8	0	0	0	0	113.4	K801 R802 A803 L826 R828	K801-S805 PolarHBondContact O-N 3.12Å; R802-S805 PolarHBondContact O-N 3.34Å; R802-S805 VanDerWaalsContact O-N 3.15Å; R802-S805 PolarHBondContact O-OG 3.5Å; A803-S805 VanDerWaalsContact C-N 3.27Å; A803-S805 PolarHBondContact O-N 2.98Å; S805-L826 CarbonylContact C-O 3.53Å; S805-L826 WeakPolarHBondContact CA-O 3.36Å; S805-R828 PolarHBondContact O-NH2 3.37Å
806	I	84.3	Confident	79.2	Confident	51 Å²	51	60.9 Å²	60.9	26%	0.262	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	-49.9	165.9	-62.5	179.8	0	0	0	109.3	L826 R828 L831 A900 K904	I806-L826 HydrophobicContact CB-CB 4.47Å; I806-L826 HydrophobicContact CB-CD2 4.42Å; I806-L826 HydrophobicContact CB-CG 4.37Å; I806-L826 HydrophobicContact CD1-CD2 4.19Å; I806-L826 HydrophobicContact CD1-CG 4.22Å; I806-L826 PolarHBondContact N-O 3.13Å; I806-R828 HydrophobicContact CD1-CB 4.43Å; I806-R828 HydrophobicContact CD1-CG 4.44Å; I806-R828 HydrophobicContact CG1-CB 3.85Å; I806-R828 HydrophobicContact CG1-CG 4.09Å; I806-L831 HydrophobicContact CD1-CD2 3.94Å; I806-A900 HydrophobicContact CG2-CB 3.81Å; I806-K904 HydrophobicContact CD1-CG 4.4Å
807	V	88.3	Confident	78.2	Confident	9 Å²	9	69.3 Å²	69.3	6%	0.055	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.6	172.8	58.2	0	0	0	0	108.6	L825 L826 K896 W897 A900	V807-L825 CarbonylContact O-C 3.56Å; V807-L825 WeakPolarHBondContact O-CA 3.48Å; V807-L826 HydrophobicContact CG1-CB 3.88Å; V807-L826 PolarHBondContact O-N 3.22Å; V807-K896 HydrophobicContact CG2-CB 4.06Å; V807-W897 HydrophobicContact CG1-CD2 3.9Å; V807-W897 HydrophobicContact CG1-CE3 3.49Å; V807-W897 VanDerWaalsContact CG1-CE3 3.49Å; V807-W897 HydrophobicContact CG1-CH2 3.93Å; V807-W897 HydrophobicContact CG1-CZ2 4.3Å; V807-W897 HydrophobicContact CG1-CZ3 3.51Å; V807-W897 HydrophobicContact CG2-CD2 3.83Å; V807-W897 HydrophobicContact CG2-CE3 4.32Å; V807-W897 HydrophobicContact CG2-CG 4.09Å; V807-W897 HydrophobicContact CG2-CZ2 4.21Å; V807-A900 HydrophobicContact CB-CB 3.96Å; V807-A900 HydrophobicContact CG1-CB 3.53Å
808	F	88.8	Confident	78	Confident	47 Å²	47	69 Å²	69	21%	0.206	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	137.2	177.8	179.3	-79	0	0	0	108.5	H823 A824 L825 E839	F808-H823 HydrophobicContact CZ-CB 4.36Å; F808-A824 CarbonylContact C-O 3.59Å; F808-A824 WeakPolarHBondContact CA-O 3.45Å; F808-L825 HydrophobicContact CB-CB 4.28Å; F808-L825 HydrophobicContact CD2-CB 3.64Å; F808-L825 HydrophobicContact CD2-CD2 3.88Å; F808-L825 HydrophobicContact CD2-CG 4.43Å; F808-L825 HydrophobicContact CE2-CB 4.42Å; F808-L825 HydrophobicContact CE2-CD2 4.14Å; F808-L825 HydrophobicContact CG-CB 4.36Å; F808-E839 HydrophobicContact CE1-CG 3.64Å; F808-E839 WeakPolarHBondContact CE1-OE1 3.31Å; F808-E839 HydrophobicContact CZ-CG 3.53Å
809	G	88.2	Confident	78.7	Confident	12 Å²	12	71 Å²	71	12%	0.124	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.4	170.3	173	0	0	0	0	0	115.2	H823 A824	G809-H823 CarbonylContact O-C 3.52Å; G809-H823 WeakPolarHBondContact O-CA 3.48Å; G809-A824 PolarHBondContact N-O 2.81Å; G809-A824 PolarHBondContact O-N 2.99Å
810	R	90.8	Very high	79.7	Confident	105 Å²	105	66.1 Å²	66.1	40%	0.396	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	135.2	167.9	-179.1	176.5	173.1	-115.3	-3.1	109.7	Y812 V821 R822 D889	R810-Y812 PolarHBondContact NH1-OH 2.89Å; R810-Y812 PolarHBondContact NH2-OH 3.26Å; R810-V821 HydrophobicContact CG-CG1 3.95Å; R810-R822 WeakPolarHBondContact CA-O 3.29Å; R810-D889 IonicContact CZ-OD2 2.73Å; R810-D889 IonicContact NH1-OD2 3.25Å; R810-D889 PolarHBondContact NH1-OD2 2.77Å
811	V	92.3	Very high	80.6	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	162.4	177.8	-55.2	0	0	0	0	110.6	V821 R822 A824 F835 F886 R887 V888 W897	V811-V821 WeakPolarHBondContact O-CA 3.46Å; V811-R822 HydrophobicContact CG2-CB 4.2Å; V811-R822 PolarHBondContact N-O 2.88Å; V811-R822 PolarHBondContact O-N 2.96Å; V811-R822 VanDerWaalsContact O-O 3.11Å; V811-A824 HydrophobicContact CB-CB 4.47Å; V811-A824 HydrophobicContact CG1-CB 3.96Å; V811-A824 HydrophobicContact CG2-CB 3.6Å; V811-F835 HydrophobicContact CG2-CD1 4.06Å; V811-F835 HydrophobicContact CG2-CE1 3.92Å; V811-F886 HydrophobicContact CB-CD2 3.79Å; V811-F886 HydrophobicContact CB-CE2 4.41Å; V811-F886 HydrophobicContact CB-CG 4.48Å; V811-F886 HydrophobicContact CG1-CD2 3.78Å; V811-F886 HydrophobicContact CG1-CE2 3.89Å; V811-F886 HydrophobicContact CG2-CD2 4.27Å; V811-R887 WeakPolarHBondContact CA-O 3.32Å; V811-V888 HydrophobicContact CG1-CG2 4.17Å; V811-W897 HydrophobicContact CG1-CZ2 3.93Å
812	Y	91.7	Very high	81.7	Confident	37 Å²	37	65 Å²	65	15%	0.145	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	94.1	174.3	-57.1	-106.1	0	0	0	107.4	R810 R814 T820 V821 F886 R887 D889	R810-Y812 PolarHBondContact NH1-OH 2.89Å; R810-Y812 PolarHBondContact NH2-OH 3.26Å; Y812-R814 PolarHBondContact O-N 2.82Å; Y812-T820 CarbonylContact C-O 3.55Å; Y812-V821 HydrophobicContact CD1-CG2 3.92Å; Y812-V821 HydrophobicContact CE1-CG2 3.85Å; Y812-F886 CarbonylContact O-C 3.5Å; Y812-F886 VanDerWaalsContact O-CA 3.26Å; Y812-F886 WeakPolarHBondContact O-CA 3.45Å; Y812-R887 PolarHBondContact N-O 2.95Å; Y812-R887 PolarHBondContact O-N 3.48Å; Y812-D889 HydrophobicContact CE2-CB 3.77Å; Y812-D889 VanDerWaalsContact CE2-OD2 3.24Å; Y812-D889 WeakPolarHBondContact CE2-OD2 3.3Å; Y812-D889 PolarHBondContact OH-OD2 3.18Å
813	L	89.1	Confident	82.8	Confident	11 Å²	11	60.9 Å²	60.9	6%	0.058	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	119.8	179.1	178.5	61.8	0	0	0	108.9	M153 T820 R822 F835 L846 F886	M153-L813 HydrophobicContact CE-CD2 4.21Å; L813-T820 PolarHBondContact N-O 2.71Å; L813-T820 PolarHBondContact O-N 2.88Å; L813-T820 PolarHBondContact O-OG1 3.16Å; L813-R822 HydrophobicContact CB-CG 3.96Å; L813-R822 HydrophobicContact CD2-CG 4.21Å; L813-F835 HydrophobicContact CB-CD1 4.42Å; L813-F835 HydrophobicContact CB-CE1 4.38Å; L813-F835 HydrophobicContact CD1-CD1 4.38Å; L813-F835 HydrophobicContact CD1-CE1 3.83Å; L813-F835 HydrophobicContact CD1-CZ 3.97Å; L813-F835 HydrophobicContact CD2-CD1 4.08Å; L813-F835 HydrophobicContact CD2-CE1 4.36Å; L813-F835 HydrophobicContact CD2-CG 4.3Å; L813-F835 HydrophobicContact CG-CE1 4.41Å; L813-L846 HydrophobicContact CD2-CD2 4.37Å; L813-F886 HydrophobicContact CD1-CB 4.27Å
814	R	84.6	Confident	83.8	Confident	124 Å²	124	57.8 Å²	57.8	47%	0.468	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.6	-172.9	-169.4	-179.6	-169.9	-175	6.1	109.9	Y812 E819 S885	Y812-R814 PolarHBondContact O-N 2.82Å; R814-E819 HydrophobicContact CB-CG 4.43Å; R814-E819 HydrophobicContact CG-CG 4.26Å; R814-S885 WeakPolarHBondContact CB-O 3.23Å; R814-S885 PolarHBondContact N-O 2.89Å
815	S	76.1	Confident	84.7	Confident	36 Å²	36	54.5 Å²	54.5	25%	0.252	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	167.8	169.7	-177.3	0	0	0	0	109.8	F157 K817 T818	F157-S815 WeakPolarHBondContact CE2-OG 3.16Å; S815-K817 PolarHBondContact O-N 3.39Å; S815-T818 PolarHBondContact N-O 2.85Å; S815-T818 PolarHBondContact O-N 3.03Å
816	R	61.7	Low	85.1	Confident	172 Å²	172	53.9 Å²	53.9	65%	0.649	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50	-18.7	-176.7	-69.1	173.6	170.3	168.2	-6.5	115.2	E154	E154-R816 IonicContact OE1-CZ 3.64Å; E154-R816 IonicContact OE1-NH1 3.53Å; E154-R816 PolarHBondContact OE1-NH1 3.28Å
817	K	62.8	Low	85.3	Confident	202 Å²	202	53.6 Å²	53.6	88%	0.878	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-139.2	-6	-178.6	-61.7	-177.8	-178.6	174.4	0	115.5	S815	S815-K817 PolarHBondContact O-N 3.39Å
818	T	75.7	Confident	85	Confident	74 Å²	74	58.8 Å²	58.8	45%	0.454	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	147.4	-171.4	49.6	0	0	0	0	112.4	S815	S815-T818 PolarHBondContact N-O 2.85Å; S815-T818 PolarHBondContact O-N 3.03Å
819	E	84.2	Confident	84.7	Confident	77 Å²	77	62.3 Å²	62.3	36%	0.36	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	144.9	162.6	-69.2	-169.2	151.8	0	0	110.7	R814 R887	R814-E819 HydrophobicContact CB-CG 4.43Å; R814-E819 HydrophobicContact CG-CG 4.26Å; E819-R887 IonicContact OE1-CZ 3.27Å; E819-R887 IonicContact OE1-NE 3.61Å; E819-R887 PolarHBondContact OE1-NE 3.02Å; E819-R887 IonicContact OE1-NH2 3.79Å; E819-R887 IonicContact OE2-CZ 2.63Å; E819-R887 IonicContact OE2-NE 2.89Å; E819-R887 PolarHBondContact OE2-NE 3.28Å; E819-R887 IonicContact OE2-NH2 3.74Å; E819-R887 PolarHBondContact OE2-NH2 2.67Å
820	T	86.6	Confident	84.4	Confident	27 Å²	27	64.1 Å²	64.1	17%	0.166	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	130.1	175.4	64.2	0	0	0	0	111.8	F157 Y812 L813 R822	F157-T820 HydrophobicContact CE1-CG2 4.19Å; Y812-T820 CarbonylContact C-O 3.55Å; L813-T820 PolarHBondContact N-O 2.71Å; L813-T820 PolarHBondContact O-N 2.88Å; L813-T820 PolarHBondContact O-OG1 3.16Å; T820-R822 PolarHBondContact O-N 3.1Å
821	V	88.1	Confident	84.1	Confident	57 Å²	57	61 Å²	61	35%	0.345	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.2	176.3	-179.6	0	0	0	0	109.7	R810 V811 Y812	R810-V821 HydrophobicContact CG-CG1 3.95Å; V811-V821 WeakPolarHBondContact O-CA 3.46Å; Y812-V821 HydrophobicContact CD1-CG2 3.92Å; Y812-V821 HydrophobicContact CE1-CG2 3.85Å
822	R	91.1	Very high	83.9	Confident	56 Å²	56	64.1 Å²	64.1	21%	0.211	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	165.9	175.1	-64.6	-65	178.1	-97.2	-0.6	109.7	R810 V811 L813 T820 F835 Y836	R810-R822 WeakPolarHBondContact CA-O 3.29Å; V811-R822 HydrophobicContact CG2-CB 4.2Å; V811-R822 PolarHBondContact N-O 2.88Å; V811-R822 PolarHBondContact O-N 2.96Å; V811-R822 VanDerWaalsContact O-O 3.11Å; L813-R822 HydrophobicContact CB-CG 3.96Å; L813-R822 HydrophobicContact CD2-CG 4.21Å; T820-R822 PolarHBondContact O-N 3.1Å; R822-F835 HydrophobicContact CB-CB 4.46Å; R822-F835 HydrophobicContact CB-CD1 4.16Å; R822-Y836 WeakPolarHBondContact CA-O 3.35Å; R822-Y836 VanDerWaalsContact CD-O 3.3Å; R822-Y836 WeakPolarHBondContact CD-O 3.47Å
823	H	90.8	Very high	83.9	Confident	30 Å²	30	62.3 Å²	62.3	14%	0.139	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.6	162.9	-66	79.1	0	0	0	107.5	F808 G809 F835 Y836 E839	F808-H823 HydrophobicContact CZ-CB 4.36Å; G809-H823 CarbonylContact O-C 3.52Å; G809-H823 WeakPolarHBondContact O-CA 3.48Å; H823-F835 CarbonylContact O-C 3.59Å; H823-F835 WeakPolarHBondContact O-CA 3.42Å; H823-Y836 PolarHBondContact N-O 3.26Å; H823-Y836 PolarHBondContact O-N 2.96Å; H823-E839 PolarHBondContact ND1-N 3.24Å
824	A	90.8	Very high	83.9	Confident	0 Å²	0	61.8 Å²	61.8	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	146.6	-180	0	0	0	0	0	110.8	F808 G809 V811 V834 F835 W897	F808-A824 CarbonylContact C-O 3.59Å; F808-A824 WeakPolarHBondContact CA-O 3.45Å; G809-A824 PolarHBondContact N-O 2.81Å; G809-A824 PolarHBondContact O-N 2.99Å; V811-A824 HydrophobicContact CB-CB 4.47Å; V811-A824 HydrophobicContact CG1-CB 3.96Å; V811-A824 HydrophobicContact CG2-CB 3.6Å; A824-V834 CarbonylContact C-O 3.56Å; A824-V834 VanDerWaalsContact CA-O 3.27Å; A824-V834 WeakPolarHBondContact CA-O 3.36Å; A824-F835 HydrophobicContact CB-CD1 3.66Å; A824-F835 HydrophobicContact CB-CE1 3.73Å; A824-F835 HydrophobicContact CB-CG 4.34Å; A824-F835 HydrophobicContact CB-CZ 4.47Å; A824-W897 HydrophobicContact CB-CH2 3.62Å; A824-W897 HydrophobicContact CB-CZ2 3.77Å
825	L	91.2	Very high	84.2	Confident	5 Å²	5	55.9 Å²	55.9	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.9	168.6	75	80.7	0	0	0	111.2	V807 F808 R827 L833 V834 Y836	V807-L825 CarbonylContact O-C 3.56Å; V807-L825 WeakPolarHBondContact O-CA 3.48Å; F808-L825 HydrophobicContact CB-CB 4.28Å; F808-L825 HydrophobicContact CD2-CB 3.64Å; F808-L825 HydrophobicContact CD2-CD2 3.88Å; F808-L825 HydrophobicContact CD2-CG 4.43Å; F808-L825 HydrophobicContact CE2-CB 4.42Å; F808-L825 HydrophobicContact CE2-CD2 4.14Å; F808-L825 HydrophobicContact CG-CB 4.36Å; L825-R827 HydrophobicContact CD1-CB 3.94Å; L825-L833 WeakPolarHBondContact O-CA 3.28Å; L825-V834 HydrophobicContact CD1-CB 4.33Å; L825-V834 HydrophobicContact CG-CB 4.34Å; L825-V834 PolarHBondContact N-O 3.32Å; L825-V834 PolarHBondContact O-N 2.93Å; L825-Y836 HydrophobicContact CD2-CE2 3.63Å; L825-Y836 HydrophobicContact CG-CE2 4.02Å
826	L	90.4	Very high	84.9	Confident	0 Å²	0	55 Å²	55	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	114.6	165.6	177.5	56.1	0	0	0	108.1	S805 I806 V807 I850 A900	S805-L826 CarbonylContact C-O 3.53Å; S805-L826 WeakPolarHBondContact CA-O 3.36Å; I806-L826 HydrophobicContact CB-CB 4.47Å; I806-L826 HydrophobicContact CB-CD2 4.42Å; I806-L826 HydrophobicContact CB-CG 4.37Å; I806-L826 HydrophobicContact CD1-CD2 4.19Å; I806-L826 HydrophobicContact CD1-CG 4.22Å; I806-L826 PolarHBondContact N-O 3.13Å; V807-L826 HydrophobicContact CG1-CB 3.88Å; V807-L826 PolarHBondContact O-N 3.22Å; L826-I850 HydrophobicContact CD1-CD1 3.57Å; L826-I850 HydrophobicContact CD1-CG1 4.13Å; L826-I850 HydrophobicContact CD2-CD1 4.2Å; L826-A900 HydrophobicContact CD2-CB 4.42Å
827	R	87.3	Confident	86.1	Confident	44 Å²	44	51 Å²	51	17%	0.166	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	135.4	-179.5	-167.3	-177.8	-60.8	129	-3.8	109.5	L825 D830 L831 K832 E847	L825-R827 HydrophobicContact CD1-CB 3.94Å; R827-D830 WeakPolarHBondContact CB-OD1 3.48Å; R827-D830 VanDerWaalsContact CD-OD1 3.31Å; R827-D830 WeakPolarHBondContact CD-OD1 3.49Å; R827-D830 IonicContact CZ-OD2 2.62Å; R827-D830 IonicContact NH1-OD1 3.51Å; R827-D830 IonicContact NH1-OD2 2.88Å; R827-D830 PolarHBondContact NH1-OD2 2.75Å; R827-L831 WeakPolarHBondContact O-CA 3.39Å; R827-L831 PolarHBondContact O-N 2.93Å; R827-K832 PolarHBondContact N-O 2.85Å; R827-E847 IonicContact CZ-OE2 2.93Å; R827-E847 IonicContact NH1-OE2 2.68Å; R827-E847 PolarHBondContact NH1-OE2 2.71Å; R827-E847 IonicContact NH2-OE1 3.85Å; R827-E847 PolarHBondContact NH2-OE1 2.85Å; R827-E847 IonicContact NH2-OE2 2.83Å; R827-E847 PolarHBondContact NH2-OE2 2.93Å
828	R	82.8	Confident	87.2	Confident	119 Å²	119	41.6 Å²	41.6	45%	0.449	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-37.1	-173.1	-175.9	178.1	-65.6	94.9	4.9	113.4	A803 Q804 S805 I806	A803-R828 PolarHBondContact O-NH1 3.43Å; Q804-R828 WeakPolarHBondContact O-CB 3.29Å; Q804-R828 PolarHBondContact O-N 2.73Å; S805-R828 PolarHBondContact O-NH2 3.37Å; I806-R828 HydrophobicContact CD1-CB 4.43Å; I806-R828 HydrophobicContact CD1-CG 4.44Å; I806-R828 HydrophobicContact CG1-CB 3.85Å; I806-R828 HydrophobicContact CG1-CG 4.09Å
829	D	81.6	Confident	87.7	Confident	120 Å²	120	40.1 Å²	40.1	64%	0.642	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-24.1	-161	-42.8	-55.8	0	0	0	113.1
830	D	83.1	Confident	87.8	Confident	50 Å²	50	37 Å²	37	27%	0.267	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.6	3.5	-178.5	69.6	-1.7	0	0	0	114.2	R827 K832 L849	R827-D830 WeakPolarHBondContact CB-OD1 3.48Å; R827-D830 VanDerWaalsContact CD-OD1 3.31Å; R827-D830 WeakPolarHBondContact CD-OD1 3.49Å; R827-D830 IonicContact CZ-OD2 2.62Å; R827-D830 IonicContact NH1-OD1 3.51Å; R827-D830 IonicContact NH1-OD2 2.88Å; R827-D830 PolarHBondContact NH1-OD2 2.75Å; D830-K832 PolarHBondContact O-N 2.98Å; D830-K832 WeakPolarHBondContact OD1-CB 3.5Å; D830-K832 PolarHBondContact OD1-N 3.2Å; D830-K832 WeakPolarHBondContact OD2-CG 3.29Å; D830-K832 IonicContact OD2-NZ 2.91Å; D830-K832 PolarHBondContact OD2-NZ 2.68Å; D830-L849 WeakPolarHBondContact O-CD1 3.38Å
831	L	85.1	Confident	87.9	Confident	39 Å²	39	36 Å²	36	20%	0.204	17%	0.167	C	C	.	.			trans	46.7	41	-173.9	-58.3	179.4	0	0	0	113.8	I806 R827 I850 K904	I806-L831 HydrophobicContact CD1-CD2 3.94Å; R827-L831 WeakPolarHBondContact O-CA 3.39Å; R827-L831 PolarHBondContact O-N 2.93Å; L831-I850 VanDerWaalsContact O-CG1 3.29Å; L831-I850 WeakPolarHBondContact O-CG1 3.37Å; L831-I850 PolarHBondContact O-N 3.24Å; L831-K904 HydrophobicContact CD1-CD 4.07Å; L831-K904 HydrophobicContact CD2-CD 3.86Å; L831-K904 HydrophobicContact CD2-CG 4.1Å
832	K	88.3	Confident	87.6	Confident	66 Å²	66	36 Å²	36	29%	0.287	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	126.8	166.1	-65.9	-164.3	-163.6	95.8	0	111.7	R827 D830 V834 E847 L848 L849	R827-K832 PolarHBondContact N-O 2.85Å; D830-K832 PolarHBondContact O-N 2.98Å; D830-K832 WeakPolarHBondContact OD1-CB 3.5Å; D830-K832 PolarHBondContact OD1-N 3.2Å; D830-K832 WeakPolarHBondContact OD2-CG 3.29Å; D830-K832 IonicContact OD2-NZ 2.91Å; D830-K832 PolarHBondContact OD2-NZ 2.68Å; K832-V834 HydrophobicContact CB-CG2 3.89Å; K832-E847 HydrophobicContact CD-CB 4.3Å; K832-L848 CarbonylContact C-O 3.58Å; K832-L848 VanDerWaalsContact CA-O 3.25Å; K832-L848 WeakPolarHBondContact CA-O 3.24Å; K832-L849 HydrophobicContact CG-CB 4.46Å; K832-L849 HydrophobicContact CG-CD1 4.33Å
833	L	89.9	Confident	87.2	Confident	0 Å²	0	40 Å²	40	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	120.4	163.7	-179.6	63.2	0	0	0	108.3	L825 F835 L848 I850 L868 F886 W897	L825-L833 WeakPolarHBondContact O-CA 3.28Å; L833-F835 HydrophobicContact CD1-CZ 4.48Å; L833-F835 HydrophobicContact CD2-CE2 3.89Å; L833-F835 HydrophobicContact CD2-CZ 3.88Å; L833-F835 HydrophobicContact CG-CE2 3.71Å; L833-F835 HydrophobicContact CG-CZ 4Å; L833-L848 PolarHBondContact N-O 3.37Å; L833-L848 PolarHBondContact O-N 2.83Å; L833-I850 HydrophobicContact CB-CG2 3.68Å; L833-I850 HydrophobicContact CD2-CG2 4.26Å; L833-L868 HydrophobicContact CD2-CD2 4.09Å; L833-F886 HydrophobicContact CD2-CE1 4.07Å; L833-W897 HydrophobicContact CD1-CH2 3.87Å; L833-W897 HydrophobicContact CD1-CZ3 3.6Å
834	V	90.6	Very high	87	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.2	-168.8	-178	0	0	0	0	110.8	A824 L825 K832 Y836 S844 L846 E847	A824-V834 CarbonylContact C-O 3.56Å; A824-V834 VanDerWaalsContact CA-O 3.27Å; A824-V834 WeakPolarHBondContact CA-O 3.36Å; L825-V834 HydrophobicContact CD1-CB 4.33Å; L825-V834 HydrophobicContact CG-CB 4.34Å; L825-V834 PolarHBondContact N-O 3.32Å; L825-V834 PolarHBondContact O-N 2.93Å; K832-V834 HydrophobicContact CB-CG2 3.89Å; V834-Y836 HydrophobicContact CB-CE2 4.22Å; V834-Y836 HydrophobicContact CG1-CD2 4.31Å; V834-Y836 HydrophobicContact CG1-CE1 4.31Å; V834-Y836 HydrophobicContact CG1-CE2 3.53Å; V834-Y836 WeakPolarHBondContact CG1-OH 3.29Å; V834-S844 VanDerWaalsContact CG1-CB 3.49Å; V834-L846 WeakPolarHBondContact CA-O 3.39Å; V834-E847 HydrophobicContact CB-CG 4.47Å; V834-E847 HydrophobicContact CG1-CG 3.89Å; V834-E847 HydrophobicContact CG2-CB 4.07Å; V834-E847 HydrophobicContact CG2-CG 3.93Å
835	F	90.6	Very high	86.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.4	-178.8	-60.1	-100.8	0	0	0	111.5	V811 L813 R822 H823 A824 L833 S844 V845 L846 L848 I884 F886	V811-F835 HydrophobicContact CG2-CD1 4.06Å; V811-F835 HydrophobicContact CG2-CE1 3.92Å; L813-F835 HydrophobicContact CB-CD1 4.42Å; L813-F835 HydrophobicContact CB-CE1 4.38Å; L813-F835 HydrophobicContact CD1-CD1 4.38Å; L813-F835 HydrophobicContact CD1-CE1 3.83Å; L813-F835 HydrophobicContact CD1-CZ 3.97Å; L813-F835 HydrophobicContact CD2-CD1 4.08Å; L813-F835 HydrophobicContact CD2-CE1 4.36Å; L813-F835 HydrophobicContact CD2-CG 4.3Å; L813-F835 HydrophobicContact CG-CE1 4.41Å; R822-F835 HydrophobicContact CB-CB 4.46Å; R822-F835 HydrophobicContact CB-CD1 4.16Å; H823-F835 CarbonylContact O-C 3.59Å; H823-F835 WeakPolarHBondContact O-CA 3.42Å; A824-F835 HydrophobicContact CB-CD1 3.66Å; A824-F835 HydrophobicContact CB-CE1 3.73Å; A824-F835 HydrophobicContact CB-CG 4.34Å; A824-F835 HydrophobicContact CB-CZ 4.47Å; L833-F835 HydrophobicContact CD1-CZ 4.48Å; L833-F835 HydrophobicContact CD2-CE2 3.89Å; L833-F835 HydrophobicContact CD2-CZ 3.88Å; L833-F835 HydrophobicContact CG-CE2 3.71Å; L833-F835 HydrophobicContact CG-CZ 4Å; F835-S844 CarbonylContact O-C 3.57Å; F835-S844 WeakPolarHBondContact O-CA 3.38Å; F835-V845 PolarHBondContact O-N 3.5Å; F835-L846 HydrophobicContact CB-CB 4.32Å; F835-L846 HydrophobicContact CD2-CB 4.04Å; F835-L846 HydrophobicContact CD2-CD2 3.85Å; F835-L846 HydrophobicContact CD2-CG 4.1Å; F835-L846 HydrophobicContact CE2-CD2 4.03Å; F835-L846 PolarHBondContact N-O 3.34Å; F835-L848 HydrophobicContact CE2-CD1 4.3Å; F835-I884 HydrophobicContact CZ-CG2 4.47Å; F835-F886 HydrophobicContact CE1-CD1 4.3Å; F835-F886 HydrophobicContact CE1-CG 4.43Å; F835-F886 HydrophobicContact CZ-CD1 4.06Å; F835-F886 HydrophobicContact CZ-CE1 4.45Å
836	Y	90.4	Very high	86.4	Confident	16 Å²	16	42.4 Å²	42.4	6%	0.063	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	156.2	179.3	-60.9	-87.7	0	0	0	111.2	R822 H823 L825 V834 A838 D841 K843	R822-Y836 WeakPolarHBondContact CA-O 3.35Å; R822-Y836 VanDerWaalsContact CD-O 3.3Å; R822-Y836 WeakPolarHBondContact CD-O 3.47Å; H823-Y836 PolarHBondContact N-O 3.26Å; H823-Y836 PolarHBondContact O-N 2.96Å; L825-Y836 HydrophobicContact CD2-CE2 3.63Å; L825-Y836 HydrophobicContact CG-CE2 4.02Å; V834-Y836 HydrophobicContact CB-CE2 4.22Å; V834-Y836 HydrophobicContact CG1-CD2 4.31Å; V834-Y836 HydrophobicContact CG1-CE1 4.31Å; V834-Y836 HydrophobicContact CG1-CE2 3.53Å; V834-Y836 WeakPolarHBondContact CG1-OH 3.29Å; Y836-A838 WeakPolarHBondContact CB-O 3.37Å; Y836-D841 HydrophobicContact CD1-CB 4.48Å; Y836-D841 VanDerWaalsContact CD1-O 3.3Å; Y836-D841 WeakPolarHBondContact CD1-O 3.44Å; Y836-D841 WeakPolarHBondContact CE1-O 3.28Å; Y836-K843 WeakPolarHBondContact CD1-O 3.43Å
837	K	86.4	Confident	86.2	Confident	89 Å²	89	45.7 Å²	45.7	39%	0.387	22%	0.222	S	C	.	.	S	Bend	trans	-68.3	-52.7	176.5	-57.8	172.7	-175.2	161.6	0	110.3	N688 E698 D841 V845	N688-K837 VanDerWaalsContact ND2-CB 3.26Å; N688-K837 WeakPolarHBondContact ND2-CB 3.25Å; E698-K837 VanDerWaalsContact CD-NZ 3.34Å; E698-K837 IonicContact OE1-NZ 3.65Å; E698-K837 PolarHBondContact OE1-NZ 3.33Å; E698-K837 IonicContact OE2-NZ 2.71Å; E698-K837 PolarHBondContact OE2-NZ 2.94Å; K837-D841 WeakPolarHBondContact CB-OD2 3.24Å; K837-V845 HydrophobicContact CB-CG2 4.43Å; K837-V845 HydrophobicContact CG-CG2 3.5Å; K837-V845 VanDerWaalsContact CG-CG2 3.5Å
838	A	87.2	Confident	86.1	Confident	4 Å²	4	44 Å²	44	3%	0.033	22%	0.216	C	C	.	.	S	Bend	trans	-127.3	174.7	172.6	0	0	0	0	0	111.8	N685 N688 Y836 L840 D841	N685-A838 WeakPolarHBondContact O-CB 3.25Å; N688-A838 WeakPolarHBondContact ND2-CB 3.47Å; N688-A838 PolarHBondContact ND2-N 2.78Å; Y836-A838 WeakPolarHBondContact CB-O 3.37Å; A838-L840 PolarHBondContact O-N 2.61Å; A838-D841 WeakPolarHBondContact CB-OD2 3.41Å; A838-D841 PolarHBondContact N-OD2 3.02Å
839	E	85.9	Confident	86.1	Confident	44 Å²	44	43 Å²	43	21%	0.206	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-37.3	-164.6	-158.3	-176.5	-176.7	0	0	114.4	I686 R802 F808 H823	I686-E839 HydrophobicContact CG1-CB 4.15Å; I686-E839 PolarHBondContact O-N 2.68Å; R802-E839 IonicContact CZ-OE1 3.11Å; R802-E839 IonicContact NE-OE1 2.66Å; R802-E839 IonicContact NH2-OE1 3.38Å; R802-E839 PolarHBondContact NH2-OE1 3.5Å; R802-E839 IonicContact NH2-OE2 2.92Å; F808-E839 HydrophobicContact CE1-CG 3.64Å; F808-E839 WeakPolarHBondContact CE1-OE1 3.31Å; F808-E839 HydrophobicContact CZ-CG 3.53Å; H823-E839 PolarHBondContact ND1-N 3.24Å
840	L	86.6	Confident	86.2	Confident	12 Å²	12	37.4 Å²	37.4	6%	0.063	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102	-0.4	-173.8	-52.5	-172.1	0	0	0	114.4	L682 I686 L691 R796 V798 K801 A838 S842	L682-L840 HydrophobicContact CD1-CD1 4.44Å; I686-L840 HydrophobicContact CD1-CD1 4.21Å; I686-L840 HydrophobicContact CD1-CG 4.42Å; I686-L840 HydrophobicContact CG1-CD1 4.3Å; I686-L840 HydrophobicContact CG1-CG 4.14Å; I686-L840 HydrophobicContact CG2-CD1 3.9Å; I686-L840 HydrophobicContact CG2-CG 4.33Å; I686-L840 PolarHBondContact O-N 3.24Å; L691-L840 HydrophobicContact CD1-CD1 3.93Å; L691-L840 HydrophobicContact CD2-CB 3.69Å; L691-L840 HydrophobicContact CD2-CD1 4.05Å; R796-L840 PolarHBondContact NH1-O 3.01Å; R796-L840 VanDerWaalsContact NH1-O 3.14Å; V798-L840 HydrophobicContact CG1-CD2 3.59Å; V798-L840 HydrophobicContact CG2-CD1 4.08Å; V798-L840 HydrophobicContact CG2-CD2 4.14Å; K801-L840 PolarHBondContact NZ-O 3Å; A838-L840 PolarHBondContact O-N 2.61Å; L840-S842 PolarHBondContact O-N 3.3Å
841	D	87.3	Confident	86.1	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.021	21%	0.211	C	C	.	.			trans	-60	134.5	-176.7	-64.8	-9.9	0	0	0	111.1	S687 N688 K801 Y836 K837 A838	S687-D841 WeakPolarHBondContact CA-OD1 3.29Å; S687-D841 WeakPolarHBondContact CB-OD1 3.31Å; S687-D841 PolarHBondContact OG-OD1 3.3Å; N688-D841 PolarHBondContact N-OD1 3.35Å; N688-D841 PolarHBondContact ND2-OD2 3.24Å; K801-D841 PolarHBondContact NZ-O 3.03Å; Y836-D841 HydrophobicContact CD1-CB 4.48Å; Y836-D841 VanDerWaalsContact CD1-O 3.3Å; Y836-D841 WeakPolarHBondContact CD1-O 3.44Å; Y836-D841 WeakPolarHBondContact CE1-O 3.28Å; K837-D841 WeakPolarHBondContact CB-OD2 3.24Å; A838-D841 WeakPolarHBondContact CB-OD2 3.41Å; A838-D841 PolarHBondContact N-OD2 3.02Å
842	S	82.2	Confident	85.5	Confident	58 Å²	58	43.8 Å²	43.8	41%	0.406	22%	0.22	S	C	.	.	S	Bend	trans	-77.2	-38.5	177.2	61.7	0	0	0	0	111.7	E689 L840	E689-S842 VanDerWaalsContact OE1-CB 3.26Å; E689-S842 WeakPolarHBondContact OE1-CB 3.35Å; E689-S842 PolarHBondContact OE1-N 3.43Å; E689-S842 PolarHBondContact OE1-OG 2.8Å; E689-S842 PolarHBondContact OE2-OG 2.92Å; L840-S842 PolarHBondContact O-N 3.3Å
843	K	83.3	Confident	85.3	Confident	139 Å²	139	41.6 Å²	41.6	60%	0.604	21%	0.21	S	C	*	.	S	Bend	trans	-81.5	117.7	-178.7	-173.4	169.3	-178.5	177.3	0	111.6	Y836	Y836-K843 WeakPolarHBondContact CD1-O 3.43Å
844	S	87	Confident	84.9	Confident	34 Å²	34	42.1 Å²	42.1	24%	0.238	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	153	168.6	38.5	0	0	0	0	111.6	V834 F835 E847	V834-S844 VanDerWaalsContact CG1-CB 3.49Å; F835-S844 CarbonylContact O-C 3.57Å; F835-S844 WeakPolarHBondContact O-CA 3.38Å; S844-E847 WeakPolarHBondContact CB-OE1 3.45Å; S844-E847 WeakPolarHBondContact OG-CG 3.22Å; S844-E847 PolarHBondContact OG-OE1 2.81Å
845	V	86.2	Confident	84.7	Confident	42 Å²	42	42.7 Å²	42.7	26%	0.255	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-28.5	174.2	-178.8	0	0	0	0	110.6	F835 K837	F835-V845 PolarHBondContact O-N 3.5Å; K837-V845 HydrophobicContact CB-CG2 4.43Å; K837-V845 HydrophobicContact CG-CG2 3.5Å; K837-V845 VanDerWaalsContact CG-CG2 3.5Å
846	L	82.7	Confident	84.5	Confident	11 Å²	11	46.3 Å²	46.3	6%	0.058	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	130.3	-176.9	179.1	61.9	0	0	0	107.7	I149 M153 L813 V834 F835 L848	I149-L846 HydrophobicContact CG2-CD1 3.57Å; M153-L846 HydrophobicContact CE-CD2 3.9Å; M153-L846 HydrophobicContact SD-CD1 4.13Å; M153-L846 HydrophobicContact SD-CD2 4.06Å; L813-L846 HydrophobicContact CD2-CD2 4.37Å; V834-L846 WeakPolarHBondContact CA-O 3.39Å; F835-L846 HydrophobicContact CB-CB 4.32Å; F835-L846 HydrophobicContact CD2-CB 4.04Å; F835-L846 HydrophobicContact CD2-CD2 3.85Å; F835-L846 HydrophobicContact CD2-CG 4.1Å; F835-L846 HydrophobicContact CE2-CD2 4.03Å; F835-L846 PolarHBondContact N-O 3.34Å; L846-L848 HydrophobicContact CD1-CD1 4.27Å; L846-L848 HydrophobicContact CD1-CD2 4.26Å; L846-L848 HydrophobicContact CD1-CG 4.02Å; L846-L848 HydrophobicContact CD2-CD1 3.73Å; L846-L848 HydrophobicContact CD2-CG 4.35Å; L846-L848 HydrophobicContact CG-CD1 3.88Å; L846-L848 HydrophobicContact CG-CG 3.97Å
847	E	86.9	Confident	84.4	Confident	69 Å²	69	48.7 Å²	48.7	32%	0.322	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	129.8	166.5	-49.7	-139.8	171	0	0	108.7	R827 K832 V834 S844	R827-E847 IonicContact CZ-OE2 2.93Å; R827-E847 IonicContact NH1-OE2 2.68Å; R827-E847 PolarHBondContact NH1-OE2 2.71Å; R827-E847 IonicContact NH2-OE1 3.85Å; R827-E847 PolarHBondContact NH2-OE1 2.85Å; R827-E847 IonicContact NH2-OE2 2.83Å; R827-E847 PolarHBondContact NH2-OE2 2.93Å; K832-E847 HydrophobicContact CD-CB 4.3Å; V834-E847 HydrophobicContact CB-CG 4.47Å; V834-E847 HydrophobicContact CG1-CG 3.89Å; V834-E847 HydrophobicContact CG2-CB 4.07Å; V834-E847 HydrophobicContact CG2-CG 3.93Å; S844-E847 WeakPolarHBondContact CB-OE1 3.45Å; S844-E847 WeakPolarHBondContact OG-CG 3.22Å; S844-E847 PolarHBondContact OG-OE1 2.81Å
848	L	83.4	Confident	84.5	Confident	7 Å²	7	47.4 Å²	47.4	4%	0.037	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	120.4	-176.6	-72.1	162.1	0	0	0	109.4	K832 L833 F835 L846 I850 I884	K832-L848 CarbonylContact C-O 3.58Å; K832-L848 VanDerWaalsContact CA-O 3.25Å; K832-L848 WeakPolarHBondContact CA-O 3.24Å; L833-L848 PolarHBondContact N-O 3.37Å; L833-L848 PolarHBondContact O-N 2.83Å; F835-L848 HydrophobicContact CE2-CD1 4.3Å; L846-L848 HydrophobicContact CD1-CD1 4.27Å; L846-L848 HydrophobicContact CD1-CD2 4.26Å; L846-L848 HydrophobicContact CD1-CG 4.02Å; L846-L848 HydrophobicContact CD2-CD1 3.73Å; L846-L848 HydrophobicContact CD2-CG 4.35Å; L846-L848 HydrophobicContact CG-CD1 3.88Å; L846-L848 HydrophobicContact CG-CG 3.97Å; L848-I850 HydrophobicContact CB-CG2 4.39Å; L848-I850 PolarHBondContact O-N 3.21Å; L848-I884 HydrophobicContact CD1-CB 4.36Å; L848-I884 HydrophobicContact CD1-CD1 3.74Å; L848-I884 HydrophobicContact CD1-CG1 3.68Å; L848-I884 HydrophobicContact CD1-CG2 3.92Å; L848-I884 HydrophobicContact CD2-CD1 4.12Å
849	L	83.6	Confident	84.5	Confident	99 Å²	99	51.4 Å²	51.4	52%	0.518	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	107.2	169.1	179.4	64.7	0	0	0	108.3	D830 K832 Y851 Y853	D830-L849 WeakPolarHBondContact O-CD1 3.38Å; K832-L849 HydrophobicContact CG-CB 4.46Å; K832-L849 HydrophobicContact CG-CD1 4.33Å; L849-Y851 VanDerWaalsContact C-N 3.26Å; L849-Y851 PolarHBondContact O-N 3.06Å; L849-Y853 WeakPolarHBondContact O-CE2 3.25Å
850	I	84.5	Confident	84.5	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.01	28%	0.275	C	S	.	.			trans	-86.9	12.3	-173.6	60.5	166.8	0	0	0	113.7	L826 L831 L833 L848 G852 Y853 L868 F901 L905	L826-I850 HydrophobicContact CD1-CD1 3.57Å; L826-I850 HydrophobicContact CD1-CG1 4.13Å; L826-I850 HydrophobicContact CD2-CD1 4.2Å; L831-I850 VanDerWaalsContact O-CG1 3.29Å; L831-I850 WeakPolarHBondContact O-CG1 3.37Å; L831-I850 PolarHBondContact O-N 3.24Å; L833-I850 HydrophobicContact CB-CG2 3.68Å; L833-I850 HydrophobicContact CD2-CG2 4.26Å; L848-I850 HydrophobicContact CB-CG2 4.39Å; L848-I850 PolarHBondContact O-N 3.21Å; I850-G852 PolarHBondContact O-N 2.62Å; I850-Y853 HydrophobicContact CB-CD2 4.31Å; I850-Y853 WeakPolarHBondContact O-CB 3.29Å; I850-Y853 WeakPolarHBondContact O-CD2 3.17Å; I850-Y853 PolarHBondContact O-N 2.95Å; I850-L868 HydrophobicContact CB-CD2 4.15Å; I850-L868 HydrophobicContact CD1-CD2 4.4Å; I850-L868 HydrophobicContact CG2-CD2 3.63Å; I850-F901 HydrophobicContact CD1-CD1 4.23Å; I850-F901 HydrophobicContact CD1-CE1 3.95Å; I850-L905 HydrophobicContact CB-CD2 4.26Å; I850-L905 HydrophobicContact CD1-CD1 4.13Å; I850-L905 HydrophobicContact CD1-CD2 4.06Å; I850-L905 HydrophobicContact CD1-CG 4.27Å; I850-L905 HydrophobicContact CG1-CD2 4.19Å; I850-L905 WeakPolarHBondContact O-CD2 3.44Å
851	Y	79.5	Confident	84.1	Confident	186 Å²	186	61.1 Å²	61.1	73%	0.729	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	128	176.2	-170.1	-93.4	0	0	0	111	L849 Y853	L849-Y851 VanDerWaalsContact C-N 3.26Å; L849-Y851 PolarHBondContact O-N 3.06Å; Y851-Y853 VanDerWaalsContact C-N 3.31Å
852	G	73.5	Confident	83.8	Confident	38 Å²	38	65 Å²	65	39%	0.392	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	8.3	-177.2	0	0	0	0	0	115.3	I850	I850-G852 PolarHBondContact O-N 2.62Å
853	Y	82.9	Confident	84	Confident	19 Å²	19	62.6 Å²	62.6	8%	0.075	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	150.8	168.7	-76.7	-109.3	0	0	0	111.8	L849 I850 Y851 L868 V869 H870 I884	L849-Y853 WeakPolarHBondContact O-CE2 3.25Å; I850-Y853 HydrophobicContact CB-CD2 4.31Å; I850-Y853 WeakPolarHBondContact O-CB 3.29Å; I850-Y853 WeakPolarHBondContact O-CD2 3.17Å; I850-Y853 PolarHBondContact O-N 2.95Å; Y851-Y853 VanDerWaalsContact C-N 3.31Å; Y853-L868 HydrophobicContact CD1-CB 3.91Å; Y853-V869 CarbonylContact C-O 3.57Å; Y853-V869 WeakPolarHBondContact CA-O 3.38Å; Y853-H870 HydrophobicContact CD1-CB 3.99Å; Y853-H870 HydrophobicContact CD2-CB 4.4Å; Y853-H870 AromaticContact CD2-CD2 3.72Å; Y853-H870 HydrophobicContact CE1-CB 3.74Å; Y853-H870 HydrophobicContact CE2-CB 4.18Å; Y853-H870 AromaticContact CE2-CD2 3.72Å; Y853-H870 HydrophobicContact CG-CB 4.34Å; Y853-I884 HydrophobicContact CE1-CD1 3.65Å
854	F	81.6	Confident	84.3	Confident	12 Å²	12	59.2 Å²	59.2	5%	0.053	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	147.3	166.8	-68.7	-89.7	0	0	0	107.4	L868 V869 R871 E906 D908	F854-L868 CarbonylContact O-C 3.6Å; F854-L868 VanDerWaalsContact O-CA 3.29Å; F854-L868 WeakPolarHBondContact O-CA 3.43Å; F854-V869 PolarHBondContact N-O 3.17Å; F854-V869 PolarHBondContact O-N 2.9Å; F854-R871 HydrophobicContact CD2-CB 4.32Å; F854-R871 HydrophobicContact CD2-CG 4.01Å; F854-R871 VanDerWaalsContact CE1-NH2 3.29Å; F854-R871 HydrophobicContact CE2-CB 3.85Å; F854-R871 VanDerWaalsContact CE2-CD 3.46Å; F854-R871 HydrophobicContact CE2-CG 3.44Å; F854-R871 VanDerWaalsContact CE2-CG 3.44Å; F854-R871 HydrophobicContact CZ-CG 4.13Å; F854-R871 VanDerWaalsContact CZ-NE 3.28Å; F854-R871 VanDerWaalsContact CZ-NH1 3.34Å; F854-E906 VanDerWaalsContact CA-O 3.31Å; F854-E906 WeakPolarHBondContact CA-O 3.44Å; F854-E906 HydrophobicContact CD1-CB 3.87Å; F854-E906 HydrophobicContact CE1-CB 3.25Å; F854-E906 HydrophobicContact CE1-CG 4.16Å; F854-E906 VanDerWaalsContact CE1-OE2 3.24Å; F854-E906 WeakPolarHBondContact CE1-OE2 3.35Å; F854-E906 HydrophobicContact CZ-CB 3.8Å; F854-E906 HydrophobicContact CZ-CG 4.39Å; F854-E906 WeakPolarHBondContact CZ-OE2 3.36Å; F854-D908 HydrophobicContact CB-CB 4.07Å
855	Y	87.8	Confident	84.5	Confident	11 Å²	11	58.1 Å²	58.1	4%	0.043	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	147.5	168.2	80.8	-73.2	0	0	0	111.9	E867 F901 A902 L905 E906 L907 D908	Y855-E867 CarbonylContact C-O 3.52Å; Y855-E867 VanDerWaalsContact CA-O 3.28Å; Y855-E867 WeakPolarHBondContact CA-O 3.12Å; Y855-F901 HydrophobicContact CD1-CB 3.94Å; Y855-F901 HydrophobicContact CD2-CB 3.81Å; Y855-F901 HydrophobicContact CD2-CD2 4.4Å; Y855-F901 HydrophobicContact CD2-CG 4.47Å; Y855-F901 HydrophobicContact CE1-CB 4.12Å; Y855-F901 HydrophobicContact CE2-CB 4Å; Y855-F901 HydrophobicContact CG-CB 3.79Å; Y855-F901 HydrophobicContact CG-CG 4.43Å; Y855-A902 WeakPolarHBondContact OH-CA 3.42Å; Y855-A902 WeakPolarHBondContact OH-CB 3.46Å; Y855-L905 HydrophobicContact CD1-CB 3.7Å; Y855-L905 HydrophobicContact CD1-CD1 4.36Å; Y855-L905 HydrophobicContact CE1-CB 4.35Å; Y855-L905 HydrophobicContact CG-CD1 4.47Å; Y855-E906 WeakPolarHBondContact CD1-O 3.45Å; Y855-E906 PolarHBondContact N-O 2.98Å; Y855-E906 VanDerWaalsContact N-O 3.1Å; Y855-L907 HydrophobicContact CE1-CB 4.14Å; Y855-L907 HydrophobicContact CE1-CG 4.04Å; Y855-L907 HydrophobicContact CE2-CG 4.38Å; Y855-D908 PolarHBondContact O-N 2.83Å
856	R	85.8	Confident	84.7	Confident	77 Å²	77	56.1 Å²	56.1	29%	0.291	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.6	162.3	-62	-173.6	-67.9	-115.2	8.5	108.2	F866 E867 D908	R856-F866 WeakPolarHBondContact O-CA 3.11Å; R856-E867 HydrophobicContact CB-CB 4.3Å; R856-E867 IonicContact CZ-OE2 3.65Å; R856-E867 VanDerWaalsContact CZ-OE2 3.25Å; R856-E867 PolarHBondContact N-O 3.21Å; R856-E867 IonicContact NE-OE2 3.86Å; R856-E867 PolarHBondContact NE-OE2 2.9Å; R856-E867 IonicContact NH2-OE2 2.68Å; R856-E867 PolarHBondContact NH2-OE2 2.9Å; R856-E867 PolarHBondContact O-N 3.19Å; R856-D908 WeakPolarHBondContact CD-OD2 3.31Å; R856-D908 HydrophobicContact CG-CB 3.51Å; R856-D908 IonicContact CZ-OD2 2.89Å; R856-D908 IonicContact NE-OD2 3.53Å; R856-D908 IonicContact NH1-OD2 2.86Å; R856-D908 PolarHBondContact NH1-OD2 2.64Å
857	E	89.1	Confident	85.1	Confident	66 Å²	66	57.4 Å²	57.4	31%	0.308	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	147.1	165	59.4	-178.4	-163.1	0	0	109.6	W864 L865 F866 S898	E857-W864 HydrophobicContact CB-CE3 4.38Å; E857-W864 HydrophobicContact CG-CZ3 4.31Å; E857-L865 CarbonylContact C-O 3.48Å; E857-L865 WeakPolarHBondContact CA-O 3.3Å; E857-F866 HydrophobicContact CB-CD1 3.96Å; E857-F866 HydrophobicContact CB-CE1 3.82Å; E857-F866 WeakPolarHBondContact OE2-CE1 3.39Å; E857-S898 WeakPolarHBondContact OE2-CB 3.37Å; E857-S898 PolarHBondContact OE2-OG 3.1Å
858	T	88.5	Confident	85.1	Confident	62 Å²	62	54.1 Å²	54.1	38%	0.38	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	122	-178.8	-62.4	0	0	0	0	109	L865	T858-L865 PolarHBondContact N-O 2.86Å; T858-L865 PolarHBondContact O-N 2.68Å
859	P	87.2	Confident	84.9	Confident	87 Å²	87	55.2 Å²	55.2	57%	0.565	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.1	144.9	175.7	29.6	-34.1	0	0	0	110.7	W864	P859-W864 HydrophobicContact CB-CZ2 4.47Å
860	L	85.4	Confident	84.5	Confident	76 Å²	76	53.7 Å²	53.7	40%	0.398	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	157.5	175.9	-64.6	175.3	0	0	0	109.2	D862 G863 L865 R887	L860-D862 PolarHBondContact O-N 3.08Å; L860-D862 VanDerWaalsContact O-N 3.1Å; L860-G863 CarbonylContact C-O 3.53Å; L860-G863 PolarHBondContact N-O 2.81Å; L860-G863 PolarHBondContact O-N 3.35Å; L860-G863 VanDerWaalsContact O-N 3.12Å; L860-L865 HydrophobicContact CD1-CB 3.86Å; L860-L865 HydrophobicContact CG-CB 4.39Å; L860-R887 HydrophobicContact CD1-CG 4.38Å
861	D	78.6	Confident	83.3	Confident	184 Å²	184	60.5 Å²	60.5	98%	0.984	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-27.2	177.6	-55.2	-41.5	0	0	0	112.9
862	D	79.3	Confident	82	Confident	86 Å²	86	57.9 Å²	57.9	46%	0.46	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	17.2	-179.9	83.1	-23.5	0	0	0	114.4	L860 R887	L860-D862 PolarHBondContact O-N 3.08Å; L860-D862 VanDerWaalsContact O-N 3.1Å; D862-R887 VanDerWaalsContact CG-CZ 3.42Å; D862-R887 PolarHBondContact O-NH1 2.87Å; D862-R887 WeakPolarHBondContact OD1-CD 3.34Å; D862-R887 IonicContact OD1-CZ 3.9Å; D862-R887 IonicContact OD1-NE 2.66Å; D862-R887 IonicContact OD1-NH1 3.14Å; D862-R887 PolarHBondContact OD1-NH1 3.19Å; D862-R887 IonicContact OD2-CZ 3.72Å; D862-R887 IonicContact OD2-NE 2.61Å; D862-R887 IonicContact OD2-NH1 2.6Å; D862-R887 PolarHBondContact OD2-NH1 2.93Å; D862-R887 IonicContact OD2-NH2 2.88Å; D862-R887 PolarHBondContact OD2-NH2 2.84Å
863	G	87.5	Confident	81	Confident	8 Å²	8	58.4 Å²	58.4	8%	0.082	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.5	-149.8	172.7	0	0	0	0	0	115.1	L860 V888	L860-G863 CarbonylContact C-O 3.53Å; L860-G863 PolarHBondContact N-O 2.81Å; L860-G863 PolarHBondContact O-N 3.35Å; L860-G863 VanDerWaalsContact O-N 3.12Å; G863-V888 CarbonylContact C-O 3.54Å; G863-V888 WeakPolarHBondContact CA-O 3.39Å
864	W	90.3	Very high	79.1	Confident	67 Å²	67	64.3 Å²	64.3	25%	0.254	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	125.2	175.2	-75.4	54.3	0	0	0	109	E857 P859 F866 R887 V888 A894	E857-W864 HydrophobicContact CB-CE3 4.38Å; E857-W864 HydrophobicContact CG-CZ3 4.31Å; P859-W864 HydrophobicContact CB-CZ2 4.47Å; W864-F866 HydrophobicContact CB-CE2 3.95Å; W864-F866 HydrophobicContact CB-CZ 4.32Å; W864-R887 CarbonylContact O-C 3.45Å; W864-R887 VanDerWaalsContact O-CA 3.31Å; W864-R887 WeakPolarHBondContact O-CA 3.32Å; W864-V888 PolarHBondContact N-O 2.76Å; W864-V888 PolarHBondContact O-N 3.05Å; W864-A894 HydrophobicContact CB-CB 3.6Å; W864-A894 HydrophobicContact CD2-CB 4.06Å; W864-A894 HydrophobicContact CG-CB 3.49Å; W864-A894 VanDerWaalsContact CG-CB 3.49Å
865	L	90.4	Very high	77.3	Confident	12 Å²	12	73.1 Å²	73.1	6%	0.063	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	128.8	172.8	-178.6	66	0	0	0	109.2	E857 T858 L860 E867 R887	E857-L865 CarbonylContact C-O 3.48Å; E857-L865 WeakPolarHBondContact CA-O 3.3Å; T858-L865 PolarHBondContact N-O 2.86Å; T858-L865 PolarHBondContact O-N 2.68Å; L860-L865 HydrophobicContact CD1-CB 3.86Å; L860-L865 HydrophobicContact CG-CB 4.39Å; L865-E867 HydrophobicContact CD2-CG 4.25Å; L865-E867 HydrophobicContact CG-CG 4.17Å; L865-R887 HydrophobicContact CD1-CB 4.4Å
866	F	91.4	Very high	75.1	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.3	168.1	-64.7	-85.8	0	0	0	108.8	R856 E857 W864 S885 F886 V888 A894 W897 S898 F901	R856-F866 WeakPolarHBondContact O-CA 3.11Å; E857-F866 HydrophobicContact CB-CD1 3.96Å; E857-F866 HydrophobicContact CB-CE1 3.82Å; E857-F866 WeakPolarHBondContact OE2-CE1 3.39Å; W864-F866 HydrophobicContact CB-CE2 3.95Å; W864-F866 HydrophobicContact CB-CZ 4.32Å; F866-S885 CarbonylContact O-C 3.51Å; F866-S885 VanDerWaalsContact O-CA 3.28Å; F866-S885 WeakPolarHBondContact O-CA 3.48Å; F866-F886 HydrophobicContact CB-CE1 4.17Å; F866-F886 HydrophobicContact CB-CE2 4.21Å; F866-F886 HydrophobicContact CB-CZ 4.02Å; F866-F886 HydrophobicContact CD2-CE2 4Å; F866-F886 HydrophobicContact CD2-CZ 4.45Å; F866-F886 HydrophobicContact CG-CE2 4.37Å; F866-F886 HydrophobicContact CG-CZ 4.38Å; F866-F886 PolarHBondContact N-O 2.65Å; F866-F886 PolarHBondContact O-N 3.37Å; F866-V888 HydrophobicContact CD2-CG2 3.83Å; F866-V888 HydrophobicContact CE2-CB 4.25Å; F866-V888 HydrophobicContact CE2-CG2 3.72Å; F866-A894 HydrophobicContact CE2-CB 4.37Å; F866-A894 HydrophobicContact CZ-CB 4.42Å; F866-W897 HydrophobicContact CD2-CB 4.29Å; F866-W897 HydrophobicContact CE1-CB 4.13Å; F866-W897 HydrophobicContact CE2-CB 3.75Å; F866-W897 HydrophobicContact CZ-CB 3.65Å; F866-S898 WeakPolarHBondContact CE1-OG 3.4Å; F866-S898 WeakPolarHBondContact CZ-OG 3.22Å; F866-F901 HydrophobicContact CB-CE2 4.2Å; F866-F901 AromaticContact CD1-CD2 3.82Å; F866-F901 HydrophobicContact CD1-CD2 3.82Å; F866-F901 AromaticContact CD1-CE2 3.95Å; F866-F901 HydrophobicContact CD1-CE2 3.95Å; F866-F901 HydrophobicContact CE1-CD2 4.3Å; F866-F901 HydrophobicContact CG-CD2 4.44Å; F866-F901 HydrophobicContact CG-CE2 4.11Å
867	E	89.3	Confident	73.1	Confident	38 Å²	38	80.9 Å²	80.9	18%	0.178	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	130	174.7	-57.2	-167.1	137.4	0	0	109.3	Y855 R856 L865 V883 I884	Y855-E867 CarbonylContact C-O 3.52Å; Y855-E867 VanDerWaalsContact CA-O 3.28Å; Y855-E867 WeakPolarHBondContact CA-O 3.12Å; R856-E867 HydrophobicContact CB-CB 4.3Å; R856-E867 IonicContact CZ-OE2 3.65Å; R856-E867 VanDerWaalsContact CZ-OE2 3.25Å; R856-E867 PolarHBondContact N-O 3.21Å; R856-E867 IonicContact NE-OE2 3.86Å; R856-E867 PolarHBondContact NE-OE2 2.9Å; R856-E867 IonicContact NH2-OE2 2.68Å; R856-E867 PolarHBondContact NH2-OE2 2.9Å; R856-E867 PolarHBondContact O-N 3.19Å; L865-E867 HydrophobicContact CD2-CG 4.25Å; L865-E867 HydrophobicContact CG-CG 4.17Å; E867-V883 HydrophobicContact CB-CG1 3.71Å; E867-V883 HydrophobicContact CG-CG1 4.22Å; E867-I884 WeakPolarHBondContact CA-O 3.28Å
868	L	86.8	Confident	71	Confident	0 Å²	0	85.5 Å²	85.5	0%	0	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	130.1	175.7	-71.1	80.7	0	0	0	109.8	L833 I850 Y853 F854 V883 I884 F886 F901 L905	L833-L868 HydrophobicContact CD2-CD2 4.09Å; I850-L868 HydrophobicContact CB-CD2 4.15Å; I850-L868 HydrophobicContact CD1-CD2 4.4Å; I850-L868 HydrophobicContact CG2-CD2 3.63Å; Y853-L868 HydrophobicContact CD1-CB 3.91Å; F854-L868 CarbonylContact O-C 3.6Å; F854-L868 VanDerWaalsContact O-CA 3.29Å; F854-L868 WeakPolarHBondContact O-CA 3.43Å; L868-V883 WeakPolarHBondContact O-CA 3.48Å; L868-I884 HydrophobicContact CB-CB 4.43Å; L868-I884 PolarHBondContact N-O 2.79Å; L868-I884 PolarHBondContact O-N 2.79Å; L868-I884 VanDerWaalsContact O-N 3.07Å; L868-F886 HydrophobicContact CD1-CE1 3.95Å; L868-F901 HydrophobicContact CD1-CE2 4.25Å; L868-F901 HydrophobicContact CD1-CZ 3.98Å; L868-F901 HydrophobicContact CD2-CE1 4.07Å; L868-F901 HydrophobicContact CD2-CZ 4.31Å; L868-L905 HydrophobicContact CD2-CD1 3.87Å; L868-L905 HydrophobicContact CG-CD1 4.3Å
869	V	80.9	Confident	68.8	Low	29 Å²	29	86 Å²	86	18%	0.176	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.6	-172.4	-168.1	0	0	0	0	110.2	Y853 F854 V883	Y853-V869 CarbonylContact C-O 3.57Å; Y853-V869 WeakPolarHBondContact CA-O 3.38Å; F854-V869 PolarHBondContact N-O 3.17Å; F854-V869 PolarHBondContact O-N 2.9Å; V869-V883 HydrophobicContact CG2-CG1 4.22Å; V869-V883 HydrophobicContact CG2-CG2 4.11Å
870	H	75.3	Confident	67	Low	67 Å²	67	90.3 Å²	90.3	31%	0.31	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	133.1	-174.4	-172.8	-122.4	0	0	0	113.7	Y853 N872	Y853-H870 HydrophobicContact CD1-CB 3.99Å; Y853-H870 HydrophobicContact CD2-CB 4.4Å; Y853-H870 AromaticContact CD2-CD2 3.72Å; Y853-H870 HydrophobicContact CE1-CB 3.74Å; Y853-H870 HydrophobicContact CE2-CB 4.18Å; Y853-H870 AromaticContact CE2-CD2 3.72Å; Y853-H870 HydrophobicContact CG-CB 4.34Å; H870-N872 VanDerWaalsContact C-N 3.26Å; H870-N872 PolarHBondContact O-N 2.96Å
871	R	58.3	Low	65.3	Low	146 Å²	146	91.2 Å²	91.2	55%	0.551	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.5	-175.4	-124.1	178.3	-162.7	148.6	13.9	114.7	F854 E906	F854-R871 HydrophobicContact CD2-CB 4.32Å; F854-R871 HydrophobicContact CD2-CG 4.01Å; F854-R871 VanDerWaalsContact CE1-NH2 3.29Å; F854-R871 HydrophobicContact CE2-CB 3.85Å; F854-R871 VanDerWaalsContact CE2-CD 3.46Å; F854-R871 HydrophobicContact CE2-CG 3.44Å; F854-R871 VanDerWaalsContact CE2-CG 3.44Å; F854-R871 HydrophobicContact CZ-CG 4.13Å; F854-R871 VanDerWaalsContact CZ-NE 3.28Å; F854-R871 VanDerWaalsContact CZ-NH1 3.34Å; R871-E906 IonicContact CZ-OE2 2.71Å; R871-E906 VanDerWaalsContact CZ-OE2 3.28Å; R871-E906 IonicContact NH1-OE1 2.81Å; R871-E906 PolarHBondContact NH1-OE1 3.01Å; R871-E906 IonicContact NH1-OE2 3.35Å; R871-E906 PolarHBondContact NH1-OE2 3.26Å; R871-E906 IonicContact NH2-OE2 3.03Å; R871-E906 PolarHBondContact NH2-OE2 2.69Å
872	N	53.4	Low	64.4	Low	130 Å²	130	84 Å²	84	70%	0.695	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.1	24.3	-170.6	-66	-13.8	0	0	0	114.3	H870 I874	H870-N872 VanDerWaalsContact C-N 3.26Å; H870-N872 PolarHBondContact O-N 2.96Å; N872-I874 PolarHBondContact O-N 3.02Å
873	Q	51.6	Low	64.2	Low	49 Å²	49	81.7 Å²	81.7	23%	0.229	40%	0.401	C	S	.	.			trans	-71.6	114.2	169.2	-160.3	-172.4	9.6	0	0	109	R875 D882	Q873-R875 PolarHBondContact O-N 2.78Å; Q873-R875 VanDerWaalsContact O-N 3.16Å; Q873-D882 VanDerWaalsContact NE2-CB 3.31Å; Q873-D882 PolarHBondContact NE2-OD2 3.18Å
874	I	43.7	Very low	64.1	Low	144 Å²	144	82 Å²	82	74%	0.738	40%	0.401	S	S	*	.			trans	-64.5	117.3	172.3	-60.5	176.3	0	0	0	107.1	N872 T876	N872-I874 PolarHBondContact O-N 3.02Å; I874-T876 PolarHBondContact O-N 3.38Å
875	R	43.3	Very low	64	Low	197 Å²	197	79.6 Å²	79.6	74%	0.743	39%	0.394	S	S	*	.			trans	-75.8	78.6	177.7	-61.1	-178.2	78	-155.4	3.2	109.7	Q873	Q873-R875 PolarHBondContact O-N 2.78Å; Q873-R875 VanDerWaalsContact O-N 3.16Å
876	T	42.4	Very low	64.1	Low	82 Å²	82	79 Å²	79	50%	0.503	39%	0.391	S	S	.	.			trans	-70.5	125.8	157.3	36	0	0	0	0	108.3	I874 D878 T879	I874-T876 PolarHBondContact O-N 3.38Å; T876-D878 PolarHBondContact O-N 3.4Å; T876-T879 PolarHBondContact O-N 3.03Å; T876-T879 PolarHBondContact O-OG1 3.03Å; T876-T879 PolarHBondContact OG1-OG1 3.45Å
877	D	42.4	Very low	64.1	Low	168 Å²	168	79.8 Å²	79.8	90%	0.898	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.2	-163	-67.4	-64.4	0	0	0	115.5
878	D	44.9	Very low	64.3	Low	164 Å²	164	78 Å²	78	88%	0.877	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-13.1	177.7	-69.6	-55	0	0	0	114.9	T876	T876-D878 PolarHBondContact O-N 3.4Å
879	T	41.9	Very low	64.2	Low	73 Å²	73	80.9 Å²	80.9	45%	0.448	40%	0.401	S	S	.	.	S	Bend	trans	-103.9	93.6	-178.5	53.2	0	0	0	0	111.5	T876 D881	T876-T879 PolarHBondContact O-N 3.03Å; T876-T879 PolarHBondContact O-OG1 3.03Å; T876-T879 PolarHBondContact OG1-OG1 3.45Å; T879-D881 PolarHBondContact O-N 2.59Å
880	K	49.6	Very low	64.4	Low	176 Å²	176	83.3 Å²	83.3	77%	0.765	41%	0.413	S	S	*	.			trans	-58.7	134.7	174.8	-66.1	-178.4	179	-179.7	0	111.6
881	D	50	Low	64.7	Low	96 Å²	96	82.9 Å²	82.9	51%	0.513	42%	0.417	S	S	.	.			trans	-25.5	125.4	-176.1	-44	-28	0	0	0	115.5	T879 V883	T879-D881 PolarHBondContact O-N 2.59Å; D881-V883 HydrophobicContact CB-CG2 3.79Å; D881-V883 PolarHBondContact O-N 3.43Å
882	D	59.5	Low	65.8	Low	33 Å²	33	78.7 Å²	78.7	18%	0.176	41%	0.414	C	S	.	.			trans	-77.9	70.7	178.2	-86.6	-33.7	0	0	0	110.6	H146 M150 Q873	H146-D882 VanDerWaalsContact CE1-CB 3.5Å; H146-D882 WeakPolarHBondContact CE1-CB 3.49Å; H146-D882 IonicContact CE1-OD1 3.25Å; H146-D882 IonicContact CE1-OD2 2.81Å; H146-D882 IonicContact CG-OD2 3.05Å; H146-D882 IonicContact ND1-OD1 2.68Å; H146-D882 IonicContact ND1-OD2 2.71Å; H146-D882 PolarHBondContact ND1-OD2 3.23Å; M150-D882 WeakPolarHBondContact CE-OD1 3.36Å; Q873-D882 VanDerWaalsContact NE2-CB 3.31Å; Q873-D882 PolarHBondContact NE2-OD2 3.18Å
883	V	75.3	Confident	67.3	Low	37 Å²	37	74 Å²	74	22%	0.224	39%	0.391	C	S	.	.			trans	-93.5	112.4	-178.6	-176	0	0	0	0	110.9	E867 L868 V869 D881 S885	E867-V883 HydrophobicContact CB-CG1 3.71Å; E867-V883 HydrophobicContact CG-CG1 4.22Å; L868-V883 WeakPolarHBondContact O-CA 3.48Å; V869-V883 HydrophobicContact CG2-CG1 4.22Å; V869-V883 HydrophobicContact CG2-CG2 4.11Å; D881-V883 HydrophobicContact CB-CG2 3.79Å; D881-V883 PolarHBondContact O-N 3.43Å; V883-S885 PolarHBondContact O-N 3.01Å
884	I	84.9	Confident	69	Low	14 Å²	14	71.6 Å²	71.6	7%	0.072	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	108.1	170.4	-63.3	118.8	0	0	0	108.1	F835 L848 Y853 E867 L868	F835-I884 HydrophobicContact CZ-CG2 4.47Å; L848-I884 HydrophobicContact CD1-CB 4.36Å; L848-I884 HydrophobicContact CD1-CD1 3.74Å; L848-I884 HydrophobicContact CD1-CG1 3.68Å; L848-I884 HydrophobicContact CD1-CG2 3.92Å; L848-I884 HydrophobicContact CD2-CD1 4.12Å; Y853-I884 HydrophobicContact CE1-CD1 3.65Å; E867-I884 WeakPolarHBondContact CA-O 3.28Å; L868-I884 HydrophobicContact CB-CB 4.43Å; L868-I884 PolarHBondContact N-O 2.79Å; L868-I884 PolarHBondContact O-N 2.79Å; L868-I884 VanDerWaalsContact O-N 3.07Å
885	S	88.4	Confident	71.2	Confident	16 Å²	16	71.3 Å²	71.3	11%	0.112	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.4	-178.8	57.2	0	0	0	0	112.4	R814 F866 V883	R814-S885 WeakPolarHBondContact CB-O 3.23Å; R814-S885 PolarHBondContact N-O 2.89Å; F866-S885 CarbonylContact O-C 3.51Å; F866-S885 VanDerWaalsContact O-CA 3.28Å; F866-S885 WeakPolarHBondContact O-CA 3.48Å; V883-S885 PolarHBondContact O-N 3.01Å
886	F	92.3	Very high	73.3	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	147.4	174.3	69.4	-93.5	0	0	0	111.9	V811 Y812 L813 L833 F835 F866 L868 V888 W897 F901	V811-F886 HydrophobicContact CB-CD2 3.79Å; V811-F886 HydrophobicContact CB-CE2 4.41Å; V811-F886 HydrophobicContact CB-CG 4.48Å; V811-F886 HydrophobicContact CG1-CD2 3.78Å; V811-F886 HydrophobicContact CG1-CE2 3.89Å; V811-F886 HydrophobicContact CG2-CD2 4.27Å; Y812-F886 CarbonylContact O-C 3.5Å; Y812-F886 VanDerWaalsContact O-CA 3.26Å; Y812-F886 WeakPolarHBondContact O-CA 3.45Å; L813-F886 HydrophobicContact CD1-CB 4.27Å; L833-F886 HydrophobicContact CD2-CE1 4.07Å; F835-F886 HydrophobicContact CE1-CD1 4.3Å; F835-F886 HydrophobicContact CE1-CG 4.43Å; F835-F886 HydrophobicContact CZ-CD1 4.06Å; F835-F886 HydrophobicContact CZ-CE1 4.45Å; F866-F886 HydrophobicContact CB-CE1 4.17Å; F866-F886 HydrophobicContact CB-CE2 4.21Å; F866-F886 HydrophobicContact CB-CZ 4.02Å; F866-F886 HydrophobicContact CD2-CE2 4Å; F866-F886 HydrophobicContact CD2-CZ 4.45Å; F866-F886 HydrophobicContact CG-CE2 4.37Å; F866-F886 HydrophobicContact CG-CZ 4.38Å; F866-F886 PolarHBondContact N-O 2.65Å; F866-F886 PolarHBondContact O-N 3.37Å; L868-F886 HydrophobicContact CD1-CE1 3.95Å; F886-V888 HydrophobicContact CD2-CG2 4.07Å; F886-V888 HydrophobicContact CE2-CG2 3.88Å; F886-W897 HydrophobicContact CE2-CD2 4.01Å; F886-W897 HydrophobicContact CE2-CE3 4.14Å; F886-W897 HydrophobicContact CE2-CG 4.41Å; F886-W897 HydrophobicContact CE2-CZ3 4.49Å; F886-W897 HydrophobicContact CZ-CD2 4.07Å; F886-W897 AromaticContact CZ-CE3 3.71Å; F886-W897 HydrophobicContact CZ-CE3 3.71Å; F886-W897 HydrophobicContact CZ-CH2 4.47Å; F886-W897 AromaticContact CZ-CZ3 3.93Å; F886-W897 HydrophobicContact CZ-CZ3 3.93Å; F886-F901 HydrophobicContact CE1-CE2 4.2Å; F886-F901 AromaticContact CE1-CZ 3.97Å; F886-F901 HydrophobicContact CE1-CZ 3.97Å; F886-F901 AromaticContact CZ-CE2 3.72Å; F886-F901 HydrophobicContact CZ-CE2 3.72Å; F886-F901 AromaticContact CZ-CZ 3.72Å; F886-F901 HydrophobicContact CZ-CZ 3.72Å
887	R	92.6	Very high	75.6	Confident	17 Å²	17	64.4 Å²	64.4	6%	0.064	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	149.1	-178.8	-174.5	175.6	59.8	92	-17.6	111.9	V811 Y812 E819 L860 D862 W864 L865	V811-R887 WeakPolarHBondContact CA-O 3.32Å; Y812-R887 PolarHBondContact N-O 2.95Å; Y812-R887 PolarHBondContact O-N 3.48Å; E819-R887 IonicContact OE1-CZ 3.27Å; E819-R887 IonicContact OE1-NE 3.61Å; E819-R887 PolarHBondContact OE1-NE 3.02Å; E819-R887 IonicContact OE1-NH2 3.79Å; E819-R887 IonicContact OE2-CZ 2.63Å; E819-R887 IonicContact OE2-NE 2.89Å; E819-R887 PolarHBondContact OE2-NE 3.28Å; E819-R887 IonicContact OE2-NH2 3.74Å; E819-R887 PolarHBondContact OE2-NH2 2.67Å; L860-R887 HydrophobicContact CD1-CG 4.38Å; D862-R887 VanDerWaalsContact CG-CZ 3.42Å; D862-R887 PolarHBondContact O-NH1 2.87Å; D862-R887 WeakPolarHBondContact OD1-CD 3.34Å; D862-R887 IonicContact OD1-CZ 3.9Å; D862-R887 IonicContact OD1-NE 2.66Å; D862-R887 IonicContact OD1-NH1 3.14Å; D862-R887 PolarHBondContact OD1-NH1 3.19Å; D862-R887 IonicContact OD2-CZ 3.72Å; D862-R887 IonicContact OD2-NE 2.61Å; D862-R887 IonicContact OD2-NH1 2.6Å; D862-R887 PolarHBondContact OD2-NH1 2.93Å; D862-R887 IonicContact OD2-NH2 2.88Å; D862-R887 PolarHBondContact OD2-NH2 2.84Å; W864-R887 CarbonylContact O-C 3.45Å; W864-R887 VanDerWaalsContact O-CA 3.31Å; W864-R887 WeakPolarHBondContact O-CA 3.32Å; L865-R887 HydrophobicContact CD1-CB 4.4Å
888	V	92.4	Very high	77.9	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	116.4	178.3	-174.1	0	0	0	0	108.6	V811 G863 W864 F866 F886 A894 W897	V811-V888 HydrophobicContact CG1-CG2 4.17Å; G863-V888 CarbonylContact C-O 3.54Å; G863-V888 WeakPolarHBondContact CA-O 3.39Å; W864-V888 PolarHBondContact N-O 2.76Å; W864-V888 PolarHBondContact O-N 3.05Å; F866-V888 HydrophobicContact CD2-CG2 3.83Å; F866-V888 HydrophobicContact CE2-CB 4.25Å; F866-V888 HydrophobicContact CE2-CG2 3.72Å; F886-V888 HydrophobicContact CD2-CG2 4.07Å; F886-V888 HydrophobicContact CE2-CG2 3.88Å; V888-A894 HydrophobicContact CB-CB 4.36Å; V888-A894 HydrophobicContact CG1-CB 4.3Å; V888-W897 HydrophobicContact CG2-CG 4.21Å
889	D	84.9	Confident	79.9	Confident	60 Å²	60	52.1 Å²	52.1	32%	0.321	29%	0.286	S	S	.	.	S	Bend	trans	-70.9	-43.6	-174.8	51.8	8.7	0	0	0	113	R810 Y812	R810-D889 IonicContact CZ-OD2 2.73Å; R810-D889 IonicContact NH1-OD2 3.25Å; R810-D889 PolarHBondContact NH1-OD2 2.77Å; Y812-D889 HydrophobicContact CE2-CB 3.77Å; Y812-D889 VanDerWaalsContact CE2-OD2 3.24Å; Y812-D889 WeakPolarHBondContact CE2-OD2 3.3Å; Y812-D889 PolarHBondContact OH-OD2 3.18Å
890	N	84.6	Confident	82	Confident	81 Å²	81	49 Å²	49	43%	0.433	27%	0.267	S	S	.	.			trans	-83	117.1	-178.1	-179.7	-4.8	0	0	0	111.9	A892 S893 A894	N890-A892 PolarHBondContact O-N 3.36Å; N890-A892 WeakPolarHBondContact OD1-CB 3.31Å; N890-A892 PolarHBondContact OD1-N 3.34Å; N890-S893 CarbonylContact O-C 3.24Å; N890-S893 WeakPolarHBondContact O-CA 3.39Å; N890-S893 WeakPolarHBondContact O-CB 3.24Å; N890-S893 PolarHBondContact O-N 2.62Å; N890-A894 PolarHBondContact O-N 3.36Å
891	S	81.3	Confident	83.9	Confident	57 Å²	57	40.6 Å²	40.6	40%	0.399	23%	0.23	S	C	.	.	H	α-helix	trans	-51.8	-36.8	174.2	-176.8	0	0	0	0	113.9	S893 A894 K895	S891-S893 VanDerWaalsContact C-N 3.28Å; S891-S893 PolarHBondContact O-N 2.88Å; S891-A894 PolarHBondContact O-N 2.87Å; S891-K895 WeakPolarHBondContact O-CG 3.12Å; S891-K895 PolarHBondContact O-N 3.34Å
892	A	83	Confident	85.6	Confident	58 Å²	58	38.9 Å²	38.9	48%	0.479	23%	0.23	S	C	.	.	H	α-helix	trans	-75.7	-13.8	176.9	0	0	0	0	0	113.8	N890 K896	N890-A892 PolarHBondContact O-N 3.36Å; N890-A892 WeakPolarHBondContact OD1-CB 3.31Å; N890-A892 PolarHBondContact OD1-N 3.34Å; A892-K896 VanDerWaalsContact O-CE 3.31Å; A892-K896 WeakPolarHBondContact O-CE 3.43Å
893	S	84.6	Confident	86.7	Confident	31 Å²	31	42 Å²	42	22%	0.217	25%	0.247	C	C	.	.	H	α-helix	trans	-88.5	-41.2	165.1	-64.4	0	0	0	0	110.9	N890 S891 K895 K896 W897	N890-S893 CarbonylContact O-C 3.24Å; N890-S893 WeakPolarHBondContact O-CA 3.39Å; N890-S893 WeakPolarHBondContact O-CB 3.24Å; N890-S893 PolarHBondContact O-N 2.62Å; S891-S893 VanDerWaalsContact C-N 3.28Å; S891-S893 PolarHBondContact O-N 2.88Å; S893-K895 PolarHBondContact O-N 3.05Å; S893-K896 WeakPolarHBondContact O-CB 3.49Å; S893-K896 PolarHBondContact O-N 3.17Å; S893-W897 PolarHBondContact O-N 3.34Å; S893-W897 VanDerWaalsContact O-N 3.13Å
894	A	87.6	Confident	86.8	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-54.7	-51.1	177.3	0	0	0	0	0	111.2	W864 F866 V888 N890 S891 K896 W897 S898	W864-A894 HydrophobicContact CB-CB 3.6Å; W864-A894 HydrophobicContact CD2-CB 4.06Å; W864-A894 HydrophobicContact CG-CB 3.49Å; W864-A894 VanDerWaalsContact CG-CB 3.49Å; F866-A894 HydrophobicContact CE2-CB 4.37Å; F866-A894 HydrophobicContact CZ-CB 4.42Å; V888-A894 HydrophobicContact CB-CB 4.36Å; V888-A894 HydrophobicContact CG1-CB 4.3Å; N890-A894 PolarHBondContact O-N 3.36Å; S891-A894 PolarHBondContact O-N 2.87Å; A894-K896 PolarHBondContact O-N 2.84Å; A894-W897 CarbonylContact O-C 3.2Å; A894-W897 WeakPolarHBondContact O-CA 3.42Å; A894-W897 WeakPolarHBondContact O-CB 3.39Å; A894-W897 PolarHBondContact O-N 3.1Å; A894-S898 PolarHBondContact O-N 2.83Å; A894-S898 PolarHBondContact O-OG 2.68Å
895	K	88.6	Confident	86.6	Confident	137 Å²	137	44.8 Å²	44.8	60%	0.596	26%	0.256	S	S	*	.	H	α-helix	trans	-56.4	-23.5	176.3	-69.3	-179.5	-178.5	-171.6	0	114.3	S891 S893 A899	S891-K895 WeakPolarHBondContact O-CG 3.12Å; S891-K895 PolarHBondContact O-N 3.34Å; S893-K895 PolarHBondContact O-N 3.05Å; K895-A899 VanDerWaalsContact O-CB 3.29Å; K895-A899 WeakPolarHBondContact O-CB 3.12Å; K895-A899 PolarHBondContact O-N 2.86Å
896	K	88.7	Confident	86.1	Confident	133 Å²	133	49.2 Å²	49.2	58%	0.578	28%	0.275	S	S	*	.	H	α-helix	trans	-81.8	-36.4	173.6	-61.2	173.1	-175.3	173.4	0	112.3	V807 A892 S893 A894 A900	V807-K896 HydrophobicContact CG2-CB 4.06Å; A892-K896 VanDerWaalsContact O-CE 3.31Å; A892-K896 WeakPolarHBondContact O-CE 3.43Å; S893-K896 WeakPolarHBondContact O-CB 3.49Å; S893-K896 PolarHBondContact O-N 3.17Å; A894-K896 PolarHBondContact O-N 2.84Å; K896-A900 WeakPolarHBondContact O-CB 3.18Å; K896-A900 PolarHBondContact O-N 3.07Å
897	W	90.9	Very high	85.2	Confident	1 Å²	1	54.1 Å²	54.1	0%	0.004	30%	0.3	C	S	.	.	H	α-helix	trans	-66.9	-46.9	171.9	-75.9	103.5	0	0	0	110.9	V807 V811 A824 L833 F866 F886 V888 S893 A894 A899 A900 F901	V807-W897 HydrophobicContact CG1-CD2 3.9Å; V807-W897 HydrophobicContact CG1-CE3 3.49Å; V807-W897 VanDerWaalsContact CG1-CE3 3.49Å; V807-W897 HydrophobicContact CG1-CH2 3.93Å; V807-W897 HydrophobicContact CG1-CZ2 4.3Å; V807-W897 HydrophobicContact CG1-CZ3 3.51Å; V807-W897 HydrophobicContact CG2-CD2 3.83Å; V807-W897 HydrophobicContact CG2-CE3 4.32Å; V807-W897 HydrophobicContact CG2-CG 4.09Å; V807-W897 HydrophobicContact CG2-CZ2 4.21Å; V811-W897 HydrophobicContact CG1-CZ2 3.93Å; A824-W897 HydrophobicContact CB-CH2 3.62Å; A824-W897 HydrophobicContact CB-CZ2 3.77Å; L833-W897 HydrophobicContact CD1-CH2 3.87Å; L833-W897 HydrophobicContact CD1-CZ3 3.6Å; F866-W897 HydrophobicContact CD2-CB 4.29Å; F866-W897 HydrophobicContact CE1-CB 4.13Å; F866-W897 HydrophobicContact CE2-CB 3.75Å; F866-W897 HydrophobicContact CZ-CB 3.65Å; F886-W897 HydrophobicContact CE2-CD2 4.01Å; F886-W897 HydrophobicContact CE2-CE3 4.14Å; F886-W897 HydrophobicContact CE2-CG 4.41Å; F886-W897 HydrophobicContact CE2-CZ3 4.49Å; F886-W897 HydrophobicContact CZ-CD2 4.07Å; F886-W897 AromaticContact CZ-CE3 3.71Å; F886-W897 HydrophobicContact CZ-CE3 3.71Å; F886-W897 HydrophobicContact CZ-CH2 4.47Å; F886-W897 AromaticContact CZ-CZ3 3.93Å; F886-W897 HydrophobicContact CZ-CZ3 3.93Å; V888-W897 HydrophobicContact CG2-CG 4.21Å; S893-W897 PolarHBondContact O-N 3.34Å; S893-W897 VanDerWaalsContact O-N 3.13Å; A894-W897 CarbonylContact O-C 3.2Å; A894-W897 WeakPolarHBondContact O-CA 3.42Å; A894-W897 WeakPolarHBondContact O-CB 3.39Å; A894-W897 PolarHBondContact O-N 3.1Å; W897-A899 PolarHBondContact O-N 2.85Å; W897-A900 PolarHBondContact O-N 3.29Å; W897-F901 HydrophobicContact CB-CE2 4.44Å; W897-F901 HydrophobicContact CE3-CE1 4.44Å; W897-F901 AromaticContact CE3-CE2 3.8Å; W897-F901 HydrophobicContact CE3-CE2 3.8Å; W897-F901 AromaticContact CE3-CZ 3.66Å; W897-F901 HydrophobicContact CE3-CZ 3.66Å; W897-F901 AromaticContact CZ3-CZ 3.96Å; W897-F901 HydrophobicContact CZ3-CZ 3.96Å; W897-F901 VanDerWaalsContact O-CD2 3.3Å; W897-F901 WeakPolarHBondContact O-CD2 3.27Å; W897-F901 PolarHBondContact O-N 2.84Å
898	S	89.1	Confident	84.1	Confident	15 Å²	15	54.1 Å²	54.1	11%	0.105	30%	0.302	C	S	.	.	H	α-helix	trans	-52	-52.3	171.2	-54.1	0	0	0	0	111.7	E857 F866 A894 A900 F901 A902	E857-S898 WeakPolarHBondContact OE2-CB 3.37Å; E857-S898 PolarHBondContact OE2-OG 3.1Å; F866-S898 WeakPolarHBondContact CE1-OG 3.4Å; F866-S898 WeakPolarHBondContact CZ-OG 3.22Å; A894-S898 PolarHBondContact O-N 2.83Å; A894-S898 PolarHBondContact O-OG 2.68Å; S898-A900 PolarHBondContact O-N 2.97Å; S898-F901 PolarHBondContact O-N 2.97Å; S898-A902 VanDerWaalsContact O-CB 3.24Å; S898-A902 WeakPolarHBondContact O-CB 3.5Å; S898-A902 PolarHBondContact O-N 2.71Å
899	A	87.8	Confident	82.3	Confident	60 Å²	60	58.9 Å²	58.9	50%	0.496	33%	0.333	S	S	.	.	H	α-helix	trans	-64.7	-36.6	179.4	0	0	0	0	0	113.3	K895 W897 D903	K895-A899 VanDerWaalsContact O-CB 3.29Å; K895-A899 WeakPolarHBondContact O-CB 3.12Å; K895-A899 PolarHBondContact O-N 2.86Å; W897-A899 PolarHBondContact O-N 2.85Å; A899-D903 VanDerWaalsContact O-CB 3.25Å; A899-D903 WeakPolarHBondContact O-CB 3.36Å; A899-D903 PolarHBondContact O-N 3.03Å
900	A	86.6	Confident	81	Confident	6 Å²	6	61 Å²	61	5%	0.05	35%	0.348	C	S	.	.	H	α-helix	trans	-71.7	-32.1	178.4	0	0	0	0	0	113.1	I806 V807 L826 K896 W897 S898	I806-A900 HydrophobicContact CG2-CB 3.81Å; V807-A900 HydrophobicContact CB-CB 3.96Å; V807-A900 HydrophobicContact CG1-CB 3.53Å; L826-A900 HydrophobicContact CD2-CB 4.42Å; K896-A900 WeakPolarHBondContact O-CB 3.18Å; K896-A900 PolarHBondContact O-N 3.07Å; W897-A900 PolarHBondContact O-N 3.29Å; S898-A900 PolarHBondContact O-N 2.97Å
901	F	88.7	Confident	79.1	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-79.7	-43	173	-65.9	-44.8	0	0	0	112	I850 Y855 F866 L868 F886 W897 S898 D903 K904 L905	I850-F901 HydrophobicContact CD1-CD1 4.23Å; I850-F901 HydrophobicContact CD1-CE1 3.95Å; Y855-F901 HydrophobicContact CD1-CB 3.94Å; Y855-F901 HydrophobicContact CD2-CB 3.81Å; Y855-F901 HydrophobicContact CD2-CD2 4.4Å; Y855-F901 HydrophobicContact CD2-CG 4.47Å; Y855-F901 HydrophobicContact CE1-CB 4.12Å; Y855-F901 HydrophobicContact CE2-CB 4Å; Y855-F901 HydrophobicContact CG-CB 3.79Å; Y855-F901 HydrophobicContact CG-CG 4.43Å; F866-F901 HydrophobicContact CB-CE2 4.2Å; F866-F901 AromaticContact CD1-CD2 3.82Å; F866-F901 HydrophobicContact CD1-CD2 3.82Å; F866-F901 AromaticContact CD1-CE2 3.95Å; F866-F901 HydrophobicContact CD1-CE2 3.95Å; F866-F901 HydrophobicContact CE1-CD2 4.3Å; F866-F901 HydrophobicContact CG-CD2 4.44Å; F866-F901 HydrophobicContact CG-CE2 4.11Å; L868-F901 HydrophobicContact CD1-CE2 4.25Å; L868-F901 HydrophobicContact CD1-CZ 3.98Å; L868-F901 HydrophobicContact CD2-CE1 4.07Å; L868-F901 HydrophobicContact CD2-CZ 4.31Å; F886-F901 HydrophobicContact CE1-CE2 4.2Å; F886-F901 AromaticContact CE1-CZ 3.97Å; F886-F901 HydrophobicContact CE1-CZ 3.97Å; F886-F901 AromaticContact CZ-CE2 3.72Å; F886-F901 HydrophobicContact CZ-CE2 3.72Å; F886-F901 AromaticContact CZ-CZ 3.72Å; F886-F901 HydrophobicContact CZ-CZ 3.72Å; W897-F901 HydrophobicContact CB-CE2 4.44Å; W897-F901 HydrophobicContact CE3-CE1 4.44Å; W897-F901 AromaticContact CE3-CE2 3.8Å; W897-F901 HydrophobicContact CE3-CE2 3.8Å; W897-F901 AromaticContact CE3-CZ 3.66Å; W897-F901 HydrophobicContact CE3-CZ 3.66Å; W897-F901 AromaticContact CZ3-CZ 3.96Å; W897-F901 HydrophobicContact CZ3-CZ 3.96Å; W897-F901 VanDerWaalsContact O-CD2 3.3Å; W897-F901 WeakPolarHBondContact O-CD2 3.27Å; W897-F901 PolarHBondContact O-N 2.84Å; S898-F901 PolarHBondContact O-N 2.97Å; F901-D903 PolarHBondContact O-N 3.35Å; F901-D903 VanDerWaalsContact O-N 3.13Å; F901-K904 CarbonylContact O-C 3.56Å; F901-K904 PolarHBondContact O-N 3.16Å; F901-L905 HydrophobicContact CB-CD1 4.29Å; F901-L905 HydrophobicContact CD1-CD1 3.64Å; F901-L905 HydrophobicContact CD1-CG 4.3Å; F901-L905 HydrophobicContact CE1-CD1 4.28Å; F901-L905 HydrophobicContact CG-CD1 4.18Å; F901-L905 PolarHBondContact O-N 3.25Å
902	A	85.2	Confident	76.9	Confident	61 Å²	61	72.9 Å²	72.9	50%	0.504	43%	0.426	S	S	.	.	H	α-helix	trans	-59.1	-26.3	176.4	0	0	0	0	0	113.9	Y855 S898	Y855-A902 WeakPolarHBondContact OH-CA 3.42Å; Y855-A902 WeakPolarHBondContact OH-CB 3.46Å; S898-A902 VanDerWaalsContact O-CB 3.24Å; S898-A902 WeakPolarHBondContact O-CB 3.5Å; S898-A902 PolarHBondContact O-N 2.71Å
903	D	82.4	Confident	76.6	Confident	99 Å²	99	73.7 Å²	73.7	53%	0.529	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-10.7	176.7	175.6	50.5	0	0	0	113.2	A899 F901	A899-D903 VanDerWaalsContact O-CB 3.25Å; A899-D903 WeakPolarHBondContact O-CB 3.36Å; A899-D903 PolarHBondContact O-N 3.03Å; F901-D903 PolarHBondContact O-N 3.35Å; F901-D903 VanDerWaalsContact O-N 3.13Å
904	K	78	Confident	76.2	Confident	88 Å²	88	75.9 Å²	75.9	38%	0.383	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.7	-13.1	-169	-66.1	-66.7	163.6	-74.1	0	117.1	I806 L831 F901	I806-K904 HydrophobicContact CD1-CG 4.4Å; L831-K904 HydrophobicContact CD1-CD 4.07Å; L831-K904 HydrophobicContact CD2-CD 3.86Å; L831-K904 HydrophobicContact CD2-CG 4.1Å; F901-K904 CarbonylContact O-C 3.56Å; F901-K904 PolarHBondContact O-N 3.16Å
905	L	81.6	Confident	75.5	Confident	20 Å²	20	80.1 Å²	80.1	11%	0.105	46%	0.458	C	S	.	.	S	Bend	trans	-130.3	151.4	179.1	-60.3	-176.8	0	0	0	110.1	I850 Y855 L868 F901	I850-L905 HydrophobicContact CB-CD2 4.26Å; I850-L905 HydrophobicContact CD1-CD1 4.13Å; I850-L905 HydrophobicContact CD1-CD2 4.06Å; I850-L905 HydrophobicContact CD1-CG 4.27Å; I850-L905 HydrophobicContact CG1-CD2 4.19Å; I850-L905 WeakPolarHBondContact O-CD2 3.44Å; Y855-L905 HydrophobicContact CD1-CB 3.7Å; Y855-L905 HydrophobicContact CD1-CD1 4.36Å; Y855-L905 HydrophobicContact CE1-CB 4.35Å; Y855-L905 HydrophobicContact CG-CD1 4.47Å; L868-L905 HydrophobicContact CD2-CD1 3.87Å; L868-L905 HydrophobicContact CG-CD1 4.3Å; F901-L905 HydrophobicContact CB-CD1 4.29Å; F901-L905 HydrophobicContact CD1-CD1 3.64Å; F901-L905 HydrophobicContact CD1-CG 4.3Å; F901-L905 HydrophobicContact CE1-CD1 4.28Å; F901-L905 HydrophobicContact CG-CD1 4.18Å; F901-L905 PolarHBondContact O-N 3.25Å
906	E	76.3	Confident	74.8	Confident	109 Å²	109	76.8 Å²	76.8	51%	0.509	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	145	166.7	-73.4	171.8	-137.8	0	0	109.8	F854 Y855 R871	F854-E906 VanDerWaalsContact CA-O 3.31Å; F854-E906 WeakPolarHBondContact CA-O 3.44Å; F854-E906 HydrophobicContact CD1-CB 3.87Å; F854-E906 HydrophobicContact CE1-CB 3.25Å; F854-E906 HydrophobicContact CE1-CG 4.16Å; F854-E906 VanDerWaalsContact CE1-OE2 3.24Å; F854-E906 WeakPolarHBondContact CE1-OE2 3.35Å; F854-E906 HydrophobicContact CZ-CB 3.8Å; F854-E906 HydrophobicContact CZ-CG 4.39Å; F854-E906 WeakPolarHBondContact CZ-OE2 3.36Å; Y855-E906 WeakPolarHBondContact CD1-O 3.45Å; Y855-E906 PolarHBondContact N-O 2.98Å; Y855-E906 VanDerWaalsContact N-O 3.1Å; R871-E906 IonicContact CZ-OE2 2.71Å; R871-E906 VanDerWaalsContact CZ-OE2 3.28Å; R871-E906 IonicContact NH1-OE1 2.81Å; R871-E906 PolarHBondContact NH1-OE1 3.01Å; R871-E906 IonicContact NH1-OE2 3.35Å; R871-E906 PolarHBondContact NH1-OE2 3.26Å; R871-E906 IonicContact NH2-OE2 3.03Å; R871-E906 PolarHBondContact NH2-OE2 2.69Å
907	L	74.5	Confident	73.9	Confident	103 Å²	103	73.3 Å²	73.3	54%	0.539	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	137	173.9	-142.2	160.8	0	0	0	108.6	Y855 P909	Y855-L907 HydrophobicContact CE1-CB 4.14Å; Y855-L907 HydrophobicContact CE1-CG 4.04Å; Y855-L907 HydrophobicContact CE2-CG 4.38Å; L907-P909 VanDerWaalsContact O-CD 3.3Å; L907-P909 WeakPolarHBondContact O-CD 3.39Å
908	D	69.5	Low	72.8	Confident	18 Å²	18	78.1 Å²	78.1	10%	0.096	47%	0.471	C	S	.	.			trans	-59.8	114.9	-176.8	-173.9	-12.5	0	0	0	112.1	F854 Y855 R856 T910	F854-D908 HydrophobicContact CB-CB 4.07Å; Y855-D908 PolarHBondContact O-N 2.83Å; R856-D908 WeakPolarHBondContact CD-OD2 3.31Å; R856-D908 HydrophobicContact CG-CB 3.51Å; R856-D908 IonicContact CZ-OD2 2.89Å; R856-D908 IonicContact NE-OD2 3.53Å; R856-D908 IonicContact NH1-OD2 2.86Å; R856-D908 PolarHBondContact NH1-OD2 2.64Å; D908-T910 VanDerWaalsContact CG-OG1 3.25Å; D908-T910 PolarHBondContact O-N 3.04Å; D908-T910 VanDerWaalsContact OD1-CB 3.32Å; D908-T910 WeakPolarHBondContact OD1-CB 3.36Å; D908-T910 VanDerWaalsContact OD1-CG2 3.32Å; D908-T910 WeakPolarHBondContact OD1-CG2 3.34Å; D908-T910 PolarHBondContact OD1-N 3.3Å; D908-T910 PolarHBondContact OD1-OG1 3.37Å; D908-T910 PolarHBondContact OD2-OG1 2.92Å
909	P	55.4	Low	71.6	Confident	100 Å²	100	82.6 Å²	82.6	65%	0.649	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	1.3	-176.4	34.5	-37.2	0	0	0	113.8	L907 R911	L907-P909 VanDerWaalsContact O-CD 3.3Å; L907-P909 WeakPolarHBondContact O-CD 3.39Å; P909-R911 VanDerWaalsContact C-N 3.32Å; P909-R911 PolarHBondContact O-N 3.45Å
910	T	56.6	Low	70.3	Confident	105 Å²	105	84.3 Å²	84.3	64%	0.644	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-2.7	-169.7	61	0	0	0	0	115.5	D908	D908-T910 VanDerWaalsContact CG-OG1 3.25Å; D908-T910 PolarHBondContact O-N 3.04Å; D908-T910 VanDerWaalsContact OD1-CB 3.32Å; D908-T910 WeakPolarHBondContact OD1-CB 3.36Å; D908-T910 VanDerWaalsContact OD1-CG2 3.32Å; D908-T910 WeakPolarHBondContact OD1-CG2 3.34Å; D908-T910 PolarHBondContact OD1-N 3.3Å; D908-T910 PolarHBondContact OD1-OG1 3.37Å; D908-T910 PolarHBondContact OD2-OG1 2.92Å
911	R	43.9	Very low	69	Low	235 Å²	235	90.8 Å²	90.8	89%	0.887	53%	0.534	S	S	*	.			trans	-142.4	121.5	165.5	-72.6	-168.8	173.8	-176	-3	112.4	P909	P909-R911 VanDerWaalsContact C-N 3.32Å; P909-R911 PolarHBondContact O-N 3.45Å
912	G	35.8	Very low	67.2	Low	152 Å²	152	99.1 Å²	99.1	100%	1.567	58%	0.583	S	S	*	*			trans	-109.5	0	149	0	0	0	0	0	109.6

Retrieved 912 of 912 residues in 287.7 ms (Link to these results)

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