A0A087XLK9_POEFO Loading...

Calcium voltage-gated channel auxiliary subunit alpha2delta 4

AlphaFold DB , UniProt , Accession A0A087XLK9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,146 aa.

						>A0A087XLK9_POEFO|A0A087XLK9
MLSNSQSHPSFCSSKALHWKINQFSKGSAAVGGTMQIATAAWMSCCGLGNAGNAITLGRSGPRRRRLMMLMWIILSGSLCLVVDGQMKIPPETVQQWAASFGKEIAALSNRYSGAKLLQKKYKDVEGVVKMEEVNGEELVKKFAEEMEEMLGRKMKSVKRLAEAAEDADLGHEYNETLEFDYFNSLLINTVDEEGNPIPLGGEFLLEKNEHFNKLPVSTQQSNIQVPTNVYNRDPDILNGVYMSEALNDIFIDNFQKDPTLTWQYFGSATGFFRLYPGIQWIPDENGVVTFDCRNRNWYIQAATSPKDVIIVVDVSGSMKGLRLTIAKHTINTILDTLGENDFVNIIAYSDYVRYVEPCFKGMLVQADLDNREHFKLLVDELQVRGEGKVKKAMKESFKVLNEAASLGQGSLCNQAIMLITDGAMEDFKDVFEEFNFPERRVRVFTYLIGREMTFAENVKWIACNNKGYYTHVSTLADVQENVMEYLHVLSRPMVINHDHDIIWTEAYMDSVLFNTHAQSLLLMTSVAMPVFSKKEETLSHGILLGVVGTDVALRELMKLAPRYKLGIHGYAFLITNNGYILSHPELRPLYKEGKKLKPKPNYNSVDLSEVEWEDTEEKLRTAMVKGETGTMSLDVRSSVDKGRRVIFLKNDYFYTVINETPFSLGIVLSRGYGEYIFTGNVSLDEGLHDLITPDLTLANEWTYCEIDIDPAHRKLTQLQAVIKYLTGKEKDLHCDRQLLQQTLFDAVVTAPMEAYWTALMLNTSSMDDGVETAFLGTRSGLQRFLRYTGVEKRVGKSFLTSTDKENMFTLDHFPVWYRRAAEYPVGQFLYYMPRQDTRAGRIVIGATAVTVTVGKKTAIAGAVGVQMTLEVLESKFRTIAAQPNDTDCSSIEGVCPLRCDSFDIECYVIDNNGFVLISKQRSDAGRFFGETDGSVMTTLIQMGMFKRVSLFDYQAMCKTNPHSVSSARPLLSSFYALASTLKWFLSNVLLFLLEFNFCSFWHSEHFADAYVPKKKWNVLQPCDTEYPSFIYEPSVKETNSIIKCGRCQKMFVVQQIPESNLLMLVVQGDCDCSRQYPPITLVPKEVKYNASVKCDRMRSQKVRRRPESCHSYHPQENANDCGGASFIRLSGPLLLLCLSRAALVS
					

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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	30.3	Very low	26.9	Very low	238 Å²	238	146.9 Å²	146.9	100%	1.172	80%	0.803	S	S	*	*				0	131.4	0	-78.9	169.4	160.3	0	0	107.9
2	L	28.4	Very low	26.5	Very low	160 Å²	160	144.8 Å²	144.8	84%	0.838	80%	0.804	S	S	*	*			trans	47.7	107.7	154.3	-59.7	167.3	0	0	0	118.1
3	S	26.1	Very low	26.2	Very low	90 Å²	90	143.5 Å²	143.5	63%	0.629	81%	0.811	S	S	*	*				67.5	141.8	74.3	74.3	0	0	0	0	114.2
4	N	30.6	Very low	26	Very low	151 Å²	151	141 Å²	141	81%	0.807	81%	0.807	S	S	*	*			cis	-173	170.8	-0.3	-107	15.9	0	0	0	107.5
5	S	27.6	Very low	26.1	Very low	82 Å²	82	145.8 Å²	145.8	57%	0.573	82%	0.815	S	S	*	*			cis	-179.3	168.1	-21.3	55.8	0	0	0	0	110.7
6	Q	26.5	Very low	25.9	Very low	182 Å²	182	142.8 Å²	142.8	85%	0.85	81%	0.814	S	S	*	*			trans	84.1	140.7	160.3	-67.9	178.6	1.5	0	0	118.9
7	S	22.7	Very low	26	Very low	98 Å²	98	143.5 Å²	143.5	69%	0.685	81%	0.814	S	S	*	*			cis	-158.3	127.2	-3.5	40.7	0	0	0	0	113.8
8	H	26	Very low	25.8	Very low	189 Å²	189	145.8 Å²	145.8	88%	0.875	82%	0.817	S	S	*	*			trans	-179.9	162.4	158.3	-94.2	-55	0	0	0	105.7
9	P	32.8	Very low	25.7	Very low	122 Å²	122	149.2 Å²	149.2	79%	0.792	82%	0.816	S	S	*	*			cis	-137.6	-167.2	27.3	42	-22.3	0	0	0	114.8
10	S	21.8	Very low	25.5	Very low	104 Å²	104	151.1 Å²	151.1	73%	0.727	82%	0.816	S	S	*	*			trans	-107.6	128.8	172.8	54.3	0	0	0	0	112
11	F	22.7	Very low	25.5	Very low	200 Å²	200	149.4 Å²	149.4	88%	0.877	81%	0.805	S	S	*	*			trans	-149.8	143.7	162.7	-121.6	-83.3	0	0	0	110
12	C	22.4	Very low	25.2	Very low	122 Å²	122	144.2 Å²	144.2	82%	0.824	78%	0.782	S	S	*	*			trans	38.8	127	166.9	-73.7	0	0	0	0	120.8
13	S	23.1	Very low	25	Very low	128 Å²	128	143.2 Å²	143.2	90%	0.895	77%	0.773	S	S	*	*			trans	-144.2	133.4	148.7	-168.6	0	0	0	0	113.8
14	S	22.4	Very low	24.8	Very low	108 Å²	108	146.6 Å²	146.6	76%	0.755	78%	0.777	S	S	*	*			trans	-53.3	160.1	178.8	-72.8	0	0	0	0	117.4
15	K	28	Very low	24.5	Very low	213 Å²	213	143.9 Å²	143.9	93%	0.926	77%	0.77	S	S	*	*			trans	-52	129.8	149.9	-63	168.3	176.3	171.7	0	111.1
16	A	23.8	Very low	24.4	Very low	97 Å²	97	148.8 Å²	148.8	80%	0.802	78%	0.781	S	S	*	*			trans	-158.9	149.9	151.7	0	0	0	0	0	111.7
17	L	26.6	Very low	24.3	Very low	155 Å²	155	143.1 Å²	143.1	81%	0.812	77%	0.771	S	S	*	*			trans	-58.6	154.1	173.7	-84.4	60.3	0	0	0	112.2
18	H	22.9	Very low	24.3	Very low	186 Å²	186	144.7 Å²	144.7	86%	0.861	78%	0.782	S	S	*	*			trans	-127.1	124.4	153.5	-121.7	-66.2	0	0	0	112.6
19	W	23.8	Very low	24.2	Very low	210 Å²	210	140.9 Å²	140.9	80%	0.795	78%	0.783	S	S	*	*			trans	-99.2	145.8	165.5	-107.7	51.1	0	0	0	109.6	I21	W19-I21 HydrophobicContact CE3-CD1 4.18Å; W19-I21 HydrophobicContact CE3-CG1 4.42Å
20	K	22.3	Very low	23.9	Very low	187 Å²	187	139.6 Å²	139.6	81%	0.813	78%	0.783	S	S	*	*			trans	174.4	120.4	144.1	-97.9	169.5	179.2	-179.1	0	107.3
21	I	25.1	Very low	24.1	Very low	116 Å²	116	141.4 Å²	141.4	60%	0.595	79%	0.79	S	S	*	*				83.6	125.7	59.3	-69.8	169.9	0	0	0	112.8	W19	W19-I21 HydrophobicContact CE3-CD1 4.18Å; W19-I21 HydrophobicContact CE3-CG1 4.42Å
22	N	22.9	Very low	24.2	Very low	129 Å²	129	135.6 Å²	135.6	69%	0.69	79%	0.786	S	S	*	*			trans	71.8	148.3	165.7	-71	-8.3	0	0	0	117.3
23	Q	24.2	Very low	24.3	Very low	138 Å²	138	133 Å²	133	65%	0.645	78%	0.78	S	S	*	*			cis	-167.8	158.2	0.5	-123.9	169.6	0.8	0	0	112.4
24	F	23	Very low	24.3	Very low	161 Å²	161	134.5 Å²	134.5	71%	0.706	78%	0.784	S	S	*	*			trans	60.4	152.4	155.4	-73.2	-63.7	0	0	0	119.4
25	S	23.3	Very low	24.3	Very low	95 Å²	95	136.7 Å²	136.7	66%	0.664	78%	0.784	S	S	*	*			cis	-153.1	140.9	11.3	117.9	0	0	0	0	114.4
26	K	25.5	Very low	24.2	Very low	184 Å²	184	136.1 Å²	136.1	80%	0.8	79%	0.785	S	S	*	*			trans	40.1	145	132.5	-56	176.2	177.6	178.5	0	120.7
27	G	24	Very low	24.3	Very low	64 Å²	64	138.5 Å²	138.5	66%	0.66	78%	0.782	S	S	*	*			cis	-165.8	146.9	0.9	0	0	0	0	0	109.9
28	S	24	Very low	24.2	Very low	130 Å²	130	135.1 Å²	135.1	91%	0.909	78%	0.777	S	S	*	*				81.9	99.4	79.9	-67.7	0	0	0	0	114.9
29	A	24.7	Very low	24.3	Very low	109 Å²	109	133 Å²	133	90%	0.901	78%	0.777	S	S	*	*			trans	-139.3	103.9	145.8	0	0	0	0	0	108.7
30	A	25.6	Very low	24.5	Very low	95 Å²	95	128 Å²	128	79%	0.785	78%	0.781	S	S	*	*			trans	-94.7	173.2	173.6	0	0	0	0	0	108.2
31	V	26.3	Very low	24.7	Very low	143 Å²	143	123.6 Å²	123.6	87%	0.867	78%	0.779	S	S	*	*			cis	-165.8	160	-5.5	109.3	0	0	0	0	108
32	G	24.5	Very low	24.6	Very low	77 Å²	77	129 Å²	129	79%	0.794	79%	0.792	S	S	*	*			trans	84.1	143.2	154.1	0	0	0	0	0	116.7
33	G	23.7	Very low	24.7	Very low	69 Å²	69	130.2 Å²	130.2	71%	0.711	80%	0.796	S	S	*	*			cis	143.3	120.5	-4.7	0	0	0	0	0	111.9
34	T	24.1	Very low	24.7	Very low	159 Å²	159	128.7 Å²	128.7	98%	0.975	80%	0.801	S	S	*	*			trans	-169.4	152	149.5	8.6	0	0	0	0	109.9
35	M	23	Very low	24.8	Very low	154 Å²	154	127.2 Å²	127.2	76%	0.759	81%	0.809	S	S	*	*			trans	-125	126.2	-171.7	161.7	-175.6	158.3	0	0	107.5	I37	M35-I37 HydrophobicContact CE-CD1 3.9Å; M35-I37 HydrophobicContact CE-CG1 4.34Å
36	Q	24.5	Very low	24.8	Very low	201 Å²	201	129.1 Å²	129.1	94%	0.939	82%	0.821	S	S	*	*			trans	-137.5	141.9	162.5	-84.7	-164.9	-20.9	0	0	111.8
37	I	26.9	Very low	24.8	Very low	146 Å²	146	123.5 Å²	123.5	75%	0.749	82%	0.815	S	S	*	*			trans	-103.5	137.3	-175.1	-64.4	157.5	0	0	0	107.6	M35	M35-I37 HydrophobicContact CE-CD1 3.9Å; M35-I37 HydrophobicContact CE-CG1 4.34Å
38	A	24.3	Very low	25	Very low	85 Å²	85	129.1 Å²	129.1	70%	0.702	83%	0.829	S	S	*	*			trans	-171.6	114.3	146.3	0	0	0	0	0	113.9
39	T	24.9	Very low	25.1	Very low	141 Å²	141	126.1 Å²	126.1	87%	0.865	82%	0.818	S	S	*	*			trans	45.2	128.5	134.4	59.8	0	0	0	0	122.4
40	A	27.8	Very low	25.3	Very low	106 Å²	106	129 Å²	129	88%	0.876	82%	0.818	S	S	*	*			trans	-106.8	145.8	162.5	0	0	0	0	0	112.2
41	A	25.9	Very low	25.4	Very low	94 Å²	94	129.7 Å²	129.7	78%	0.777	82%	0.824	S	S	*	*			trans	179.1	152.4	161	0	0	0	0	0	107
42	W	24.3	Very low	25.5	Very low	229 Å²	229	126.3 Å²	126.3	87%	0.867	82%	0.818	S	S	*	*			cis	-163.6	170	-0.9	-136.3	13.2	0	0	0	111
43	M	23.6	Very low	25.7	Very low	155 Å²	155	130.2 Å²	130.2	76%	0.764	82%	0.821	S	S	*	*			trans	88.2	119.3	167.3	-61.5	-176.9	171.1	0	0	116.9
44	S	25.2	Very low	25.9	Very low	106 Å²	106	130.9 Å²	130.9	74%	0.741	82%	0.819	S	S	*	*			cis	70.4	132.2	49	-52.6	0	0	0	0	111.9
45	C	24.6	Very low	26.2	Very low	130 Å²	130	130.3 Å²	130.3	88%	0.878	81%	0.809	S	S	*	*			cis	-143.8	167.1	32.2	-86	0	0	0	0	115
46	C	24.1	Very low	26.5	Very low	135 Å²	135	128.5 Å²	128.5	91%	0.912	81%	0.807	S	S	*	*			trans	-72.2	164.3	165.9	-57	0	0	0	0	113
47	G	24.6	Very low	26.6	Very low	66 Å²	66	127.3 Å²	127.3	68%	0.68	81%	0.806	S	S	*	*			trans	176.1	88.1	164.9	0	0	0	0	0	117.6
48	L	27.6	Very low	26.6	Very low	182 Å²	182	124.3 Å²	124.3	95%	0.953	81%	0.811	S	S	*	*			trans	40.1	126.8	149.5	-74	87.9	0	0	0	122
49	G	26.6	Very low	26.9	Very low	66 Å²	66	131.8 Å²	131.8	68%	0.68	82%	0.821	S	S	*	*				102.7	107.3	93	0	0	0	0	0	120
50	N	28.3	Very low	27	Very low	170 Å²	170	130.6 Å²	130.6	91%	0.909	82%	0.818	S	S	*	*			trans	57.2	128.2	149.6	-70.4	-0.7	0	0	0	121.9
51	A	29.4	Very low	27.2	Very low	109 Å²	109	128.8 Å²	128.8	90%	0.901	81%	0.81	S	S	*	*			trans	-81.3	157.5	163.7	0	0	0	0	0	112.2
52	G	28.2	Very low	28.3	Very low	72 Å²	72	129.6 Å²	129.6	74%	0.742	81%	0.807	S	S	*	*			trans	-158.6	102.6	174	0	0	0	0	0	113.6
53	N	29	Very low	28.8	Very low	159 Å²	159	130.1 Å²	130.1	85%	0.85	81%	0.809	S	S	*	*			trans	42.3	109.7	147.6	-67.1	-7.5	0	0	0	122.5
54	A	27.7	Very low	29.2	Very low	83 Å²	83	134.3 Å²	134.3	69%	0.686	82%	0.817	S	S	*	*				73.5	138.6	106.4	0	0	0	0	0	123.6
55	I	30	Very low	29.8	Very low	148 Å²	148	141.4 Å²	141.4	76%	0.759	83%	0.827	S	S	*	*			trans	94.4	96.1	139.3	-74	161.4	0	0	0	121.3
56	T	29.1	Very low	30.6	Very low	116 Å²	116	145.7 Å²	145.7	71%	0.712	83%	0.825	S	S	*	*				74.7	137.9	129.4	67.5	0	0	0	0	126.1
57	L	27.5	Very low	31.6	Very low	176 Å²	176	146.5 Å²	146.5	92%	0.921	82%	0.819	S	S	*	*			trans	75.7	133	140.1	-110.3	73	0	0	0	121.9
58	G	26.7	Very low	32.5	Very low	82 Å²	82	152.1 Å²	152.1	85%	0.845	83%	0.83	S	S	*	*			trans	162.6	107.8	164.8	0	0	0	0	0	112.8
59	R	29.4	Very low	33.4	Very low	243 Å²	243	150.4 Å²	150.4	92%	0.917	82%	0.819	S	S	*	*			trans	-96.7	153.6	-172.5	-123.2	178.1	-179.9	173.2	-1	112.9
60	S	28.6	Very low	34.3	Very low	115 Å²	115	151.9 Å²	151.9	80%	0.804	81%	0.81	S	S	*	*			trans	64.9	125	155.6	47.8	0	0	0	0	121.1
61	G	32	Very low	34.9	Very low	69 Å²	69	150.9 Å²	150.9	71%	0.711	80%	0.802	S	S	*	*			trans	-83.7	-143.5	161.8	0	0	0	0	0	112.7
62	P	48.2	Very low	35.4	Very low	111 Å²	111	156.2 Å²	156.2	72%	0.721	80%	0.799	S	S	*	*			cis	-150.9	-172	36.5	44.7	-24.4	0	0	0	117.5
63	R	34.5	Very low	36.4	Very low	240 Å²	240	157.9 Å²	157.9	91%	0.906	79%	0.79	S	S	*	*			trans	65.9	129.3	163.2	-61	173.3	178.4	-175.5	-0.9	115.5
64	R	32.5	Very low	37.4	Very low	243 Å²	243	156.1 Å²	156.1	92%	0.917	78%	0.779	S	S	*	*			cis	-170.3	85.5	41.8	-165.2	179.9	-166.9	179.8	3.3	112
65	R	37.2	Very low	38	Very low	255 Å²	255	159 Å²	159	96%	0.962	78%	0.783	S	S	*	*			trans	-129.9	63	163.3	-98.9	-172.3	175.6	-175.9	-0.4	111.2
66	R	42.3	Very low	38.5	Very low	220 Å²	220	155.9 Å²	155.9	83%	0.83	77%	0.774	S	S	*	*			trans	-97.7	105.8	164.1	-82.5	-176.8	172.6	-179.3	-3.9	108.1
67	L	45.2	Very low	39	Very low	152 Å²	152	153 Å²	153	80%	0.796	77%	0.766	S	S	*	*	S	Bend	trans	-166.2	-42.7	143.8	-130.1	72	0	0	0	112.8
68	M	42.2	Very low	39.8	Very low	183 Å²	183	149.4 Å²	149.4	90%	0.901	76%	0.756	S	S	*	*	S	Bend	trans	-81.9	-24.8	-175.4	-76.4	-171.6	76.4	0	0	116.1	L70	M68-L70 VanDerWaalsContact C-N 3.29Å; M68-L70 PolarHBondContact O-N 3.09Å
69	M	46.2	Very low	40.5	Very low	146 Å²	146	153 Å²	153	72%	0.719	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.4	-18	177	-88.4	-70	-131.2	0	0	113.9	I73	M69-I73 WeakPolarHBondContact O-CD1 3.5Å; M69-I73 WeakPolarHBondContact O-CG1 3.4Å
70	L	46	Very low	40.6	Very low	97 Å²	97	146.5 Å²	146.5	51%	0.508	75%	0.746	S	S	.	*	H	α-helix	trans	-76.9	-23.3	-172.6	-99.8	147.5	0	0	0	113.8	M68 I74	M68-L70 VanDerWaalsContact C-N 3.29Å; M68-L70 PolarHBondContact O-N 3.09Å; L70-I74 WeakPolarHBondContact O-CD1 3.43Å; L70-I74 WeakPolarHBondContact O-CG1 3.33Å
71	M	41.6	Very low	40.9	Very low	149 Å²	149	148.2 Å²	148.2	73%	0.734	75%	0.745	S	S	*	*	H	α-helix	trans	-87	-21.9	-179	-139.7	-178.4	-174.9	0	0	113.8
72	W	40	Very low	40.9	Very low	221 Å²	221	150.7 Å²	150.7	84%	0.837	75%	0.746	S	S	*	*	H	α-helix	trans	-81.4	-25.1	174.5	-112	58.7	0	0	0	113.4	S76	W72-S76 PolarHBondContact O-OG 3.08Å
73	I	48.8	Very low	40.4	Very low	107 Å²	107	150 Å²	150	55%	0.549	74%	0.74	S	S	.	*	H	α-helix	trans	-76.2	-25.1	177.5	-65.9	169.9	0	0	0	111.7	M69 G77	M69-I73 WeakPolarHBondContact O-CD1 3.5Å; M69-I73 WeakPolarHBondContact O-CG1 3.4Å; I73-G77 PolarHBondContact O-N 2.65Å
74	I	49.4	Very low	40.4	Very low	122 Å²	122	144 Å²	144	63%	0.626	73%	0.726	S	S	*	*	H	α-helix	trans	-80.6	-27.6	-177.5	-65.2	170.4	0	0	0	112.2	L70	L70-I74 WeakPolarHBondContact O-CD1 3.43Å; L70-I74 WeakPolarHBondContact O-CG1 3.33Å
75	L	40.2	Very low	40.9	Very low	145 Å²	145	134.2 Å²	134.2	76%	0.759	70%	0.701	S	S	*	*	H	α-helix	trans	-90.9	-11.4	176.4	-98	117.4	0	0	0	115
76	S	40.1	Very low	41.7	Very low	82 Å²	82	127.4 Å²	127.4	57%	0.573	68%	0.68	S	S	*	*	H	α-helix	trans	-96.2	-6.4	167.1	59.1	0	0	0	0	113.4	W72 S78	W72-S76 PolarHBondContact O-OG 3.08Å; S76-S78 VanDerWaalsContact C-N 3.31Å; S76-S78 PolarHBondContact O-N 2.96Å
77	G	40.5	Very low	42.2	Very low	54 Å²	54	121.9 Å²	121.9	56%	0.557	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-3.3	-176.4	0	0	0	0	0	116.1	I73	I73-G77 PolarHBondContact O-N 2.65Å
78	S	44.3	Very low	43.2	Very low	102 Å²	102	118.7 Å²	118.7	71%	0.713	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.3	8	-176.6	49.7	0	0	0	0	114.8	S76	S76-S78 VanDerWaalsContact C-N 3.31Å; S76-S78 PolarHBondContact O-N 2.96Å
79	L	41.7	Very low	44.9	Very low	158 Å²	158	110.1 Å²	110.1	83%	0.827	60%	0.602	S	S	*	*			trans	-125.7	26	170.6	-130.6	90.4	0	0	0	114.2	L81	L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 PolarHBondContact O-N 3.27Å; L79-L81 VanDerWaalsContact O-N 3.1Å
80	C	31.5	Very low	46.7	Very low	105 Å²	105	104.6 Å²	104.6	71%	0.709	58%	0.577	S	S	*	*			trans	-75.3	87.3	153.9	-76.1	0	0	0	0	108.4	V82	C80-V82 PolarHBondContact O-N 2.85Å
81	L	35	Very low	48.4	Very low	152 Å²	152	102.2 Å²	102.2	80%	0.796	57%	0.567	S	S	*	*			trans	-60.6	98.4	154.2	-79	172.9	0	0	0	106.9	L79 V83	L79-L81 VanDerWaalsContact C-N 3.27Å; L79-L81 PolarHBondContact O-N 3.27Å; L79-L81 VanDerWaalsContact O-N 3.1Å; L81-V83 HydrophobicContact CB-CG2 4.43Å; L81-V83 PolarHBondContact O-N 3.03Å
82	V	32.3	Very low	50.5	Low	120 Å²	120	101.8 Å²	101.8	73%	0.727	56%	0.563	S	S	*	*			trans	-63.1	95	158.4	-179.3	0	0	0	0	104.8	C80 D84	C80-V82 PolarHBondContact O-N 2.85Å; V82-D84 HydrophobicContact CG1-CB 4.35Å; V82-D84 PolarHBondContact O-N 3.46Å
83	V	36.7	Very low	52.7	Low	98 Å²	98	92 Å²	92	59%	0.594	53%	0.528	S	S	*	.			trans	-73.5	80.1	167.6	-175.8	0	0	0	0	105.7	L81 G85	L81-V83 HydrophobicContact CB-CG2 4.43Å; L81-V83 PolarHBondContact O-N 3.03Å; V83-G85 PolarHBondContact O-N 3.49Å
84	D	34.4	Very low	54.5	Low	113 Å²	113	87 Å²	87	60%	0.604	50%	0.502	S	S	*	.			trans	-62.1	132.9	173.9	-158.2	9.6	0	0	0	108.2	V82 Q86	V82-D84 HydrophobicContact CG1-CB 4.35Å; V82-D84 PolarHBondContact O-N 3.46Å; D84-Q86 HydrophobicContact CB-CG 4.28Å; D84-Q86 PolarHBondContact O-N 3.24Å
85	G	43.2	Very low	56.4	Low	38 Å²	38	85.2 Å²	85.2	39%	0.392	49%	0.492	S	S	.	.			trans	-80.6	53.9	-170	0	0	0	0	0	112	V83	V83-G85 PolarHBondContact O-N 3.49Å
86	Q	53.6	Low	58.8	Low	112 Å²	112	84.6 Å²	84.6	52%	0.523	49%	0.485	S	S	.	.			trans	-70.1	135.7	-173.1	-66.9	-175.4	-43.9	0	0	111.9	D84 K88 E893	D84-Q86 HydrophobicContact CB-CG 4.28Å; D84-Q86 PolarHBondContact O-N 3.24Å; Q86-K88 PolarHBondContact O-N 3.3Å; Q86-E893 PolarHBondContact NE2-OE2 3.09Å
87	M	53.6	Low	61.3	Low	103 Å²	103	81.6 Å²	81.6	51%	0.507	46%	0.461	S	S	.	.			trans	-74.8	103.4	178.6	-76.8	-172.2	167.1	0	0	110.9	N1040 M1051	M87-N1040 WeakPolarHBondContact CE-ND2 3.49Å; M87-M1051 HydrophobicContact CB-CE 3.81Å; M87-M1051 HydrophobicContact CB-SD 4.12Å; M87-M1051 HydrophobicContact CG-CE 3.72Å; M87-M1051 HydrophobicContact CG-SD 4.31Å; M87-M1051 HydrophobicContact SD-CE 4.2Å
88	K	66.4	Low	63.8	Low	86 Å²	86	79 Å²	79	37%	0.374	44%	0.435	S	S	.	.			trans	-77.3	-15.5	179.2	-70.5	-174.6	174.3	-168.7	0	115.2	Q86 V895 M1051 D1070	Q86-K88 PolarHBondContact O-N 3.3Å; K88-V895 PolarHBondContact O-N 2.84Å; K88-M1051 PolarHBondContact N-SD 3.34Å; K88-M1051 VanDerWaalsContact N-SD 3.44Å; K88-D1070 IonicContact NZ-OD2 3.84Å
89	I	77.9	Confident	66.1	Low	2 Å²	2	75.9 Å²	75.9	1%	0.01	42%	0.415	C	S	.	.	S	Bend	trans	-119.2	112.4	-176.6	-56.6	169.8	0	0	0	108.5	V94 I905 M1051 V1053 V1066 Q1068	I89-V94 HydrophobicContact CG2-CG2 4.1Å; I89-I905 HydrophobicContact CD1-CG2 4.42Å; I89-M1051 HydrophobicContact CB-CE 4.16Å; I89-M1051 HydrophobicContact CB-SD 4.09Å; I89-M1051 HydrophobicContact CD1-CB 4.47Å; I89-M1051 HydrophobicContact CD1-CG 4.41Å; I89-M1051 HydrophobicContact CG1-SD 4.33Å; I89-M1051 WeakPolarHBondContact O-CE 3.47Å; I89-V1053 HydrophobicContact CB-CG2 4.1Å; I89-V1053 HydrophobicContact CG2-CB 4.47Å; I89-V1053 HydrophobicContact CG2-CG2 3.79Å; I89-V1066 HydrophobicContact CD1-CG1 4.34Å; I89-V1066 HydrophobicContact CG2-CG1 4.29Å; I89-Q1068 HydrophobicContact CD1-CB 4.42Å
90	P	82.7	Confident	68.6	Low	30 Å²	30	70.7 Å²	70.7	20%	0.195	39%	0.392	C	S	.	.			trans	-72.3	121.1	177.7	27.9	-32.6	0	0	0	110.9	E92 T93 L898	P90-E92 VanDerWaalsContact C-N 3.33Å; P90-E92 PolarHBondContact O-N 3.38Å; P90-T93 PolarHBondContact O-N 3.43Å; P90-L898 HydrophobicContact CG-CD1 3.52Å
91	P	83.4	Confident	71.5	Confident	47 Å²	47	65.9 Å²	65.9	31%	0.305	36%	0.359	S	S	.	.	H	α-helix	trans	-67.3	-32.2	-176.3	26.5	-33.9	0	0	0	112.9	T93 V94 Q95 V1053	P91-T93 VanDerWaalsContact C-N 3.29Å; P91-T93 PolarHBondContact O-N 3.18Å; P91-V94 PolarHBondContact O-N 3.08Å; P91-V94 VanDerWaalsContact O-N 3.12Å; P91-Q95 PolarHBondContact O-N 2.93Å; P91-V1053 HydrophobicContact CB-CG1 4.11Å
92	E	84.3	Confident	74.3	Confident	140 Å²	140	58.7 Å²	58.7	65%	0.654	32%	0.322	S	S	*	.	H	α-helix	trans	-59.3	-37.2	178.8	-61.1	-178.4	-177	0	0	112.6	P90 Q95 Q96	P90-E92 VanDerWaalsContact C-N 3.33Å; P90-E92 PolarHBondContact O-N 3.38Å; E92-Q95 PolarHBondContact O-N 2.96Å; E92-Q96 WeakPolarHBondContact O-CG 3.25Å; E92-Q96 PolarHBondContact O-N 2.85Å
93	T	86.2	Confident	77.2	Confident	16 Å²	16	60 Å²	60	10%	0.098	32%	0.317	C	S	.	.	H	α-helix	trans	-65.9	-44	175.5	-56.4	0	0	0	0	111.3	P90 P91 Q95 Q96 W97 L898	P90-T93 PolarHBondContact O-N 3.43Å; P91-T93 VanDerWaalsContact C-N 3.29Å; P91-T93 PolarHBondContact O-N 3.18Å; T93-Q95 VanDerWaalsContact C-N 3.28Å; T93-Q95 PolarHBondContact O-N 2.95Å; T93-Q96 PolarHBondContact O-N 2.79Å; T93-W97 HydrophobicContact CG2-CD2 4.15Å; T93-W97 HydrophobicContact CG2-CZ2 3.96Å; T93-W97 PolarHBondContact O-N 2.88Å; T93-L898 HydrophobicContact CG2-CD1 4.17Å
94	V	87.4	Confident	79.8	Confident	1 Å²	1	59 Å²	59	1%	0.006	31%	0.306	C	S	.	.	H	α-helix	trans	-63.9	-37.6	176.9	-174.9	0	0	0	0	110.6	I89 P91 W97 A98 V1053 Q1055 M1064 V1066	I89-V94 HydrophobicContact CG2-CG2 4.1Å; P91-V94 PolarHBondContact O-N 3.08Å; P91-V94 VanDerWaalsContact O-N 3.12Å; V94-W97 PolarHBondContact O-N 3.3Å; V94-A98 WeakPolarHBondContact O-CB 3.36Å; V94-A98 PolarHBondContact O-N 3.24Å; V94-V1053 HydrophobicContact CB-CG1 4.14Å; V94-V1053 HydrophobicContact CG1-CG1 4.22Å; V94-V1053 HydrophobicContact CG2-CB 4.37Å; V94-V1053 HydrophobicContact CG2-CG1 4.17Å; V94-Q1055 HydrophobicContact CG1-CB 4.29Å; V94-M1064 HydrophobicContact CG1-CG 4.2Å; V94-M1064 HydrophobicContact CG1-SD 3.87Å; V94-V1066 HydrophobicContact CG1-CG2 3.87Å; V94-V1066 HydrophobicContact CG2-CB 4.27Å; V94-V1066 HydrophobicContact CG2-CG2 3.95Å
95	Q	90.2	Very high	82.5	Confident	86 Å²	86	53.8 Å²	53.8	40%	0.402	28%	0.278	S	S	.	.	H	α-helix	trans	-63.9	-42.8	175.1	-167.3	-177.4	59.2	0	0	112.4	P91 E92 T93 A98 A99 E1038 Q1055	P91-Q95 PolarHBondContact O-N 2.93Å; E92-Q95 PolarHBondContact O-N 2.96Å; T93-Q95 VanDerWaalsContact C-N 3.28Å; T93-Q95 PolarHBondContact O-N 2.95Å; Q95-A98 PolarHBondContact O-N 3.01Å; Q95-A99 WeakPolarHBondContact O-CB 3.37Å; Q95-A99 PolarHBondContact O-N 2.91Å; Q95-E1038 PolarHBondContact NE2-OE2 2.99Å; Q95-Q1055 HydrophobicContact CB-CG 4.42Å; Q95-Q1055 HydrophobicContact CG-CG 4.33Å
96	Q	90.1	Very high	84.8	Confident	132 Å²	132	52.1 Å²	52.1	62%	0.617	26%	0.261	S	S	*	.	H	α-helix	trans	-64.4	-43.8	174.6	-71.6	175.2	12	0	0	112.1	E92 T93 A99 S100	E92-Q96 WeakPolarHBondContact O-CG 3.25Å; E92-Q96 PolarHBondContact O-N 2.85Å; T93-Q96 PolarHBondContact O-N 2.79Å; Q96-A99 PolarHBondContact O-N 3.44Å; Q96-S100 PolarHBondContact O-N 3.22Å
97	W	91.8	Very high	86.6	Confident	18 Å²	18	49.8 Å²	49.8	7%	0.068	26%	0.261	C	S	.	.	H	α-helix	trans	-59.7	-47.8	175	-69.5	-13.8	0	0	0	111.9	T93 V94 A99 S100 F101 I880 A881 Q883 L898 M1064	T93-W97 HydrophobicContact CG2-CD2 4.15Å; T93-W97 HydrophobicContact CG2-CZ2 3.96Å; T93-W97 PolarHBondContact O-N 2.88Å; V94-W97 PolarHBondContact O-N 3.3Å; W97-A99 VanDerWaalsContact C-N 3.35Å; W97-A99 PolarHBondContact O-N 3.47Å; W97-S100 PolarHBondContact O-N 2.92Å; W97-F101 WeakPolarHBondContact O-CB 3.5Å; W97-F101 PolarHBondContact O-N 3.18Å; W97-I880 HydrophobicContact CB-CG2 4.31Å; W97-I880 VanDerWaalsContact CD1-O 3.28Å; W97-I880 PolarHBondContact NE1-O 3.16Å; W97-A881 HydrophobicContact CD2-CB 4.17Å; W97-A881 HydrophobicContact CE3-CB 4.05Å; W97-A881 HydrophobicContact CZ3-CB 4.23Å; W97-Q883 HydrophobicContact CZ2-CG 4.3Å; W97-L898 HydrophobicContact CH2-CB 3.65Å; W97-L898 HydrophobicContact CZ2-CB 4.01Å; W97-L898 WeakPolarHBondContact CZ2-O 3.38Å; W97-M1064 HydrophobicContact CB-CE 3.87Å; W97-M1064 HydrophobicContact CB-SD 3.79Å
98	A	92.3	Very high	88.4	Confident	1 Å²	1	45.5 Å²	45.5	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-59.8	-44.6	177.3	0	0	0	0	0	111.5	V94 Q95 G102 Q1055 I1057 M1064	V94-A98 WeakPolarHBondContact O-CB 3.36Å; V94-A98 PolarHBondContact O-N 3.24Å; Q95-A98 PolarHBondContact O-N 3.01Å; A98-G102 PolarHBondContact O-N 2.79Å; A98-Q1055 HydrophobicContact CB-CB 4.12Å; A98-Q1055 HydrophobicContact CB-CG 3.92Å; A98-I1057 HydrophobicContact CB-CG1 4.15Å; A98-M1064 HydrophobicContact CB-CB 4.31Å; A98-M1064 HydrophobicContact CB-CE 4.3Å; A98-M1064 HydrophobicContact CB-SD 4.1Å
99	A	93.9	Very high	89.7	Confident	35 Å²	35	41.4 Å²	41.4	29%	0.289	22%	0.222	S	C	.	.	H	α-helix	trans	-66.3	-36.8	178.7	0	0	0	0	0	113.5	Q95 Q96 W97 K103	Q95-A99 WeakPolarHBondContact O-CB 3.37Å; Q95-A99 PolarHBondContact O-N 2.91Å; Q96-A99 PolarHBondContact O-N 3.44Å; W97-A99 VanDerWaalsContact C-N 3.35Å; W97-A99 PolarHBondContact O-N 3.47Å; A99-K103 WeakPolarHBondContact O-CG 3.41Å; A99-K103 PolarHBondContact O-N 3.33Å
100	S	93.6	Very high	90.4	Very high	50 Å²	50	42.3 Å²	42.3	35%	0.35	23%	0.227	S	C	.	.	H	α-helix	trans	-72.1	-46.5	176.4	-160.5	0	0	0	0	111.5	Q96 W97 G102 K103 E104	Q96-S100 PolarHBondContact O-N 3.22Å; W97-S100 PolarHBondContact O-N 2.92Å; S100-G102 PolarHBondContact O-N 2.91Å; S100-K103 PolarHBondContact O-N 3.21Å; S100-E104 PolarHBondContact O-N 2.96Å
101	F	93.6	Very high	90.8	Very high	4 Å²	4	44.9 Å²	44.9	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-40.2	179.4	-178.8	-103.2	0	0	0	112.2	W97 K103 E104 I105 F877 I880 I918 I1057 M1064	W97-F101 WeakPolarHBondContact O-CB 3.5Å; W97-F101 PolarHBondContact O-N 3.18Å; F101-K103 PolarHBondContact O-N 2.98Å; F101-E104 PolarHBondContact O-N 3.45Å; F101-I105 HydrophobicContact CE1-CD1 4.32Å; F101-I105 HydrophobicContact CZ-CD1 4.19Å; F101-I105 WeakPolarHBondContact O-CG2 3.36Å; F101-I105 PolarHBondContact O-N 3.03Å; F101-F877 HydrophobicContact CD1-CD2 4.49Å; F101-F877 HydrophobicContact CD2-CB 4.1Å; F101-F877 HydrophobicContact CD2-CD2 4.11Å; F101-F877 HydrophobicContact CE1-CD2 4.45Å; F101-F877 HydrophobicContact CE2-CB 3.69Å; F101-F877 HydrophobicContact CE2-CD2 4.08Å; F101-F877 HydrophobicContact CE2-CG 4.41Å; F101-F877 HydrophobicContact CG-CD2 4.31Å; F101-F877 HydrophobicContact CZ-CB 4.34Å; F101-F877 HydrophobicContact CZ-CD2 4.25Å; F101-I880 VanDerWaalsContact CA-CD1 3.49Å; F101-I880 HydrophobicContact CB-CD1 3.86Å; F101-I880 HydrophobicContact CD2-CD1 4.08Å; F101-I880 HydrophobicContact CG-CD1 4.48Å; F101-I918 HydrophobicContact CE2-CD1 4.41Å; F101-I918 HydrophobicContact CZ-CD1 3.82Å; F101-I1057 HydrophobicContact CD1-CD1 3.92Å; F101-I1057 HydrophobicContact CD1-CG2 4.23Å; F101-I1057 HydrophobicContact CE1-CD1 4.2Å; F101-M1064 HydrophobicContact CB-CE 4.45Å
102	G	92.6	Very high	91.2	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-58.1	-44.2	173.6	0	0	0	0	0	112.8	A98 S100 I105 A106 I1057	A98-G102 PolarHBondContact O-N 2.79Å; S100-G102 PolarHBondContact O-N 2.91Å; G102-I105 WeakPolarHBondContact O-CG2 3.22Å; G102-A106 WeakPolarHBondContact O-CB 3.25Å; G102-A106 PolarHBondContact O-N 3.12Å; G102-I1057 VanDerWaalsContact CA-CG2 3.46Å
103	K	92.6	Very high	91.6	Very high	146 Å²	146	36 Å²	36	64%	0.635	19%	0.187	S	C	*	.	H	α-helix	trans	-64.8	-43.9	176.2	-72.7	171.7	-176.8	176.3	0	112.4	A99 S100 F101 A107	A99-K103 WeakPolarHBondContact O-CG 3.41Å; A99-K103 PolarHBondContact O-N 3.33Å; S100-K103 PolarHBondContact O-N 3.21Å; F101-K103 PolarHBondContact O-N 2.98Å; K103-A107 WeakPolarHBondContact O-CB 3.2Å; K103-A107 PolarHBondContact O-N 2.79Å
104	E	91.6	Very high	91.9	Very high	77 Å²	77	35.3 Å²	35.3	36%	0.36	18%	0.183	S	C	.	.	H	α-helix	trans	-66	-47.6	179	-80.1	-166.9	-145.2	0	0	112.7	S100 F101 A106 A107 L108 I880	S100-E104 PolarHBondContact O-N 2.96Å; F101-E104 PolarHBondContact O-N 3.45Å; E104-A106 PolarHBondContact O-N 2.59Å; E104-A107 PolarHBondContact O-N 3.24Å; E104-L108 VanDerWaalsContact O-CB 3.32Å; E104-L108 WeakPolarHBondContact O-CB 3.39Å; E104-L108 PolarHBondContact O-N 2.83Å; E104-I880 HydrophobicContact CB-CD1 4.41Å; E104-I880 HydrophobicContact CG-CD1 4.24Å; E104-I880 WeakPolarHBondContact OE1-CD1 3.29Å
105	I	92.4	Very high	92.1	Very high	4 Å²	4	35.6 Å²	35.6	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-66.9	-38.3	-179.3	-159.4	-178.4	0	0	0	111.3	F101 G102 S109 Y831 L873 L1062	F101-I105 HydrophobicContact CE1-CD1 4.32Å; F101-I105 HydrophobicContact CZ-CD1 4.19Å; F101-I105 WeakPolarHBondContact O-CG2 3.36Å; F101-I105 PolarHBondContact O-N 3.03Å; G102-I105 WeakPolarHBondContact O-CG2 3.22Å; I105-S109 WeakPolarHBondContact O-CB 3.45Å; I105-S109 PolarHBondContact O-N 2.59Å; I105-S109 PolarHBondContact O-OG 3.34Å; I105-Y831 HydrophobicContact CD1-CD1 3.8Å; I105-Y831 HydrophobicContact CD1-CD2 4.24Å; I105-Y831 HydrophobicContact CD1-CE1 3.57Å; I105-Y831 HydrophobicContact CD1-CE2 4.03Å; I105-Y831 HydrophobicContact CD1-CG 4.12Å; I105-Y831 HydrophobicContact CG1-CD1 4.44Å; I105-Y831 HydrophobicContact CG1-CE1 3.72Å; I105-Y831 HydrophobicContact CG1-CE2 4.37Å; I105-Y831 HydrophobicContact CG2-CE2 4.17Å; I105-Y831 PolarHBondContact O-OH 3.17Å; I105-Y831 VanDerWaalsContact O-OH 3.09Å; I105-L873 HydrophobicContact CD1-CD1 4.48Å; I105-L873 HydrophobicContact CD1-CD2 3.45Å; I105-L873 VanDerWaalsContact CD1-CD2 3.45Å; I105-L873 HydrophobicContact CG1-CD2 3.66Å; I105-L1062 HydrophobicContact CD1-CD1 4.44Å
106	A	91.6	Very high	92.2	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.033	20%	0.197	C	C	.	.	H	α-helix	trans	-66.8	-41.2	174.2	0	0	0	0	0	111.9	G102 E104 N110 E1059	G102-A106 WeakPolarHBondContact O-CB 3.25Å; G102-A106 PolarHBondContact O-N 3.12Å; E104-A106 PolarHBondContact O-N 2.59Å; A106-N110 VanDerWaalsContact O-CB 3.26Å; A106-N110 WeakPolarHBondContact O-CB 3.49Å; A106-N110 PolarHBondContact O-N 3.48Å; A106-N110 PolarHBondContact O-ND2 3.38Å; A106-E1059 HydrophobicContact CB-CB 4.44Å
107	A	91.5	Very high	92.4	Very high	62 Å²	62	34.6 Å²	34.6	51%	0.512	18%	0.18	S	C	.	.	H	α-helix	trans	-64	-45.3	176	0	0	0	0	0	111.9	K103 E104 R111	K103-A107 WeakPolarHBondContact O-CB 3.2Å; K103-A107 PolarHBondContact O-N 2.79Å; E104-A107 PolarHBondContact O-N 3.24Å; A107-R111 VanDerWaalsContact O-CB 3.31Å; A107-R111 WeakPolarHBondContact O-CB 3.44Å; A107-R111 PolarHBondContact O-N 3.39Å
108	L	91.3	Very high	92.4	Very high	13 Å²	13	33.8 Å²	33.8	7%	0.068	18%	0.177	C	C	.	.	H	α-helix	trans	-56.9	-53.3	174.8	-172.6	76.5	0	0	0	110.9	E104 N110 R111 Y112 D768 M868 V872 K876	E104-L108 VanDerWaalsContact O-CB 3.32Å; E104-L108 WeakPolarHBondContact O-CB 3.39Å; E104-L108 PolarHBondContact O-N 2.83Å; L108-N110 PolarHBondContact O-N 2.98Å; L108-R111 PolarHBondContact O-N 3.44Å; L108-Y112 HydrophobicContact CD1-CD2 4Å; L108-Y112 HydrophobicContact CD1-CE2 3.6Å; L108-Y112 HydrophobicContact CG-CD2 4.24Å; L108-Y112 HydrophobicContact CG-CE2 4.34Å; L108-Y112 WeakPolarHBondContact O-CD2 3.46Å; L108-Y112 PolarHBondContact O-N 3.23Å; L108-Y112 VanDerWaalsContact O-N 3.11Å; L108-D768 HydrophobicContact CD1-CB 4.23Å; L108-M868 HydrophobicContact CD2-SD 4.48Å; L108-V872 HydrophobicContact CD2-CG1 4.13Å; L108-K876 HydrophobicContact CD2-CD 4.5Å
109	S	92.7	Very high	92.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.6	-40.7	-176.1	-57.6	0	0	0	0	112.3	I105 R111 S113 Y831	I105-S109 WeakPolarHBondContact O-CB 3.45Å; I105-S109 PolarHBondContact O-N 2.59Å; I105-S109 PolarHBondContact O-OG 3.34Å; S109-R111 VanDerWaalsContact C-N 3.33Å; S109-R111 PolarHBondContact O-N 2.96Å; S109-S113 WeakPolarHBondContact O-CB 3.13Å; S109-S113 PolarHBondContact O-N 3.35Å; S109-S113 PolarHBondContact O-OG 3.48Å; S109-Y831 WeakPolarHBondContact CB-OH 3.49Å; S109-Y831 WeakPolarHBondContact OG-CE1 3.37Å; S109-Y831 PolarHBondContact OG-OH 3.08Å
110	N	92.4	Very high	92.4	Very high	21 Å²	21	40.8 Å²	40.8	11%	0.112	20%	0.202	C	C	.	.	H	α-helix	trans	-60.2	-41.3	173	-86.7	-76.4	0	0	0	112.4	A106 L108 G114 K116	A106-N110 VanDerWaalsContact O-CB 3.26Å; A106-N110 WeakPolarHBondContact O-CB 3.49Å; A106-N110 PolarHBondContact O-N 3.48Å; A106-N110 PolarHBondContact O-ND2 3.38Å; L108-N110 PolarHBondContact O-N 2.98Å; N110-G114 PolarHBondContact O-N 3.27Å; N110-G114 VanDerWaalsContact O-N 3.1Å; N110-K116 VanDerWaalsContact OD1-CE 3.25Å; N110-K116 WeakPolarHBondContact OD1-CE 3.36Å; N110-K116 WeakPolarHBondContact OD1-CG 3.47Å
111	R	90.9	Very high	92.4	Very high	84 Å²	84	41.9 Å²	41.9	32%	0.317	20%	0.2	S	C	.	.	H	α-helix	trans	-65.1	-48.9	-178.4	-178.2	-179.5	178.3	-144.8	-7.6	112.2	A107 L108 S109 Y756 L760 S766 D768	A107-R111 VanDerWaalsContact O-CB 3.31Å; A107-R111 WeakPolarHBondContact O-CB 3.44Å; A107-R111 PolarHBondContact O-N 3.39Å; L108-R111 PolarHBondContact O-N 3.44Å; S109-R111 VanDerWaalsContact C-N 3.33Å; S109-R111 PolarHBondContact O-N 2.96Å; R111-Y756 WeakPolarHBondContact O-CE1 3.39Å; R111-Y756 PolarHBondContact O-OH 2.96Å; R111-Y756 VanDerWaalsContact O-OH 3.08Å; R111-L760 HydrophobicContact CG-CD2 4.44Å; R111-L760 WeakPolarHBondContact O-CD1 3.36Å; R111-S766 VanDerWaalsContact CZ-O 3.27Å; R111-S766 PolarHBondContact NH1-O 3.14Å; R111-S766 VanDerWaalsContact NH2-CB 3.3Å; R111-S766 PolarHBondContact NH2-O 3.14Å; R111-S766 PolarHBondContact NH2-OG 2.69Å; R111-D768 IonicContact NH1-OD2 3.33Å
112	Y	91.8	Very high	92.2	Very high	2 Å²	2	41.8 Å²	41.8	1%	0.008	20%	0.199	C	C	.	.	H	α-helix	trans	-84	-29.3	-176.4	-69.7	-77.5	0	0	0	114.1	L108 W757 S766 M767 D768 V771 A774 Y788	L108-Y112 HydrophobicContact CD1-CD2 4Å; L108-Y112 HydrophobicContact CD1-CE2 3.6Å; L108-Y112 HydrophobicContact CG-CD2 4.24Å; L108-Y112 HydrophobicContact CG-CE2 4.34Å; L108-Y112 WeakPolarHBondContact O-CD2 3.46Å; L108-Y112 PolarHBondContact O-N 3.23Å; L108-Y112 VanDerWaalsContact O-N 3.11Å; Y112-W757 PolarHBondContact O-NE1 2.97Å; Y112-S766 PolarHBondContact OH-O 3.43Å; Y112-M767 WeakPolarHBondContact OH-CA 3.5Å; Y112-D768 HydrophobicContact CE2-CB 4.36Å; Y112-D768 WeakPolarHBondContact CE2-OD2 3.16Å; Y112-D768 PolarHBondContact OH-N 3.07Å; Y112-D768 PolarHBondContact OH-OD2 3.16Å; Y112-V771 HydrophobicContact CD1-CB 4.48Å; Y112-V771 HydrophobicContact CD1-CG1 4.02Å; Y112-V771 HydrophobicContact CD2-CG1 4.29Å; Y112-V771 HydrophobicContact CD2-CG2 3.9Å; Y112-V771 HydrophobicContact CE2-CG2 3.95Å; Y112-V771 HydrophobicContact CG-CB 4.45Å; Y112-V771 HydrophobicContact CG-CG1 3.84Å; Y112-V771 HydrophobicContact CG-CG2 4.28Å; Y112-A774 WeakPolarHBondContact O-CB 3.34Å; Y112-Y788 HydrophobicContact CD1-CE2 4.04Å; Y112-Y788 PolarHBondContact O-OH 3.45Å; Y112-Y788 VanDerWaalsContact O-OH 3.1Å
113	S	92.4	Very high	92.1	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-73.8	-35.7	174.7	64.2	0	0	0	0	112.6	S109 A115 M753 W757 F829 V864	S109-S113 WeakPolarHBondContact O-CB 3.13Å; S109-S113 PolarHBondContact O-N 3.35Å; S109-S113 PolarHBondContact O-OG 3.48Å; S113-A115 VanDerWaalsContact C-N 3.32Å; S113-A115 PolarHBondContact OG-N 2.93Å; S113-M753 WeakPolarHBondContact O-CE 3.16Å; S113-W757 PolarHBondContact O-NE1 3.04Å; S113-F829 WeakPolarHBondContact OG-CZ 3.45Å; S113-V864 WeakPolarHBondContact O-CG2 3.29Å
114	G	92.7	Very high	92	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.01	22%	0.219	C	C	.	.			trans	74.3	17.6	-170.6	0	0	0	0	0	114.1	N110 K116 L117 L118 Y756	N110-G114 PolarHBondContact O-N 3.27Å; N110-G114 VanDerWaalsContact O-N 3.1Å; G114-K116 VanDerWaalsContact C-N 3.29Å; G114-K116 PolarHBondContact O-N 3.35Å; G114-K116 VanDerWaalsContact O-N 3.16Å; G114-L117 WeakPolarHBondContact O-CA 3.22Å; G114-L117 WeakPolarHBondContact O-CB 3.33Å; G114-L117 PolarHBondContact O-N 2.72Å; G114-L118 PolarHBondContact O-N 3.33Å; G114-L118 VanDerWaalsContact O-N 3.11Å; G114-Y756 VanDerWaalsContact CA-CE1 3.49Å
115	A	92.6	Very high	91.8	Very high	7 Å²	7	43.5 Å²	43.5	6%	0.058	21%	0.213	C	C	.	.	H	α-helix	trans	-51.8	-41.6	-174.8	0	0	0	0	0	114.5	S113 L117 L118 Q119 F829 T848 V864	S113-A115 VanDerWaalsContact C-N 3.32Å; S113-A115 PolarHBondContact OG-N 2.93Å; A115-L117 VanDerWaalsContact C-N 3.33Å; A115-L117 PolarHBondContact O-N 2.56Å; A115-L118 PolarHBondContact O-N 2.95Å; A115-Q119 WeakPolarHBondContact O-CB 3.26Å; A115-Q119 PolarHBondContact O-N 3.31Å; A115-F829 HydrophobicContact CB-CZ 3.96Å; A115-T848 HydrophobicContact CB-CG2 3.69Å; A115-V864 HydrophobicContact CB-CG1 3.57Å
116	K	92.4	Very high	91.4	Very high	146 Å²	146	45.1 Å²	45.1	64%	0.635	22%	0.22	S	C	*	.	H	α-helix	trans	-66.4	-30.9	177	-71	176.7	179	177.2	0	113.4	N110 G114 K120	N110-K116 VanDerWaalsContact OD1-CE 3.25Å; N110-K116 WeakPolarHBondContact OD1-CE 3.36Å; N110-K116 WeakPolarHBondContact OD1-CG 3.47Å; G114-K116 VanDerWaalsContact C-N 3.29Å; G114-K116 PolarHBondContact O-N 3.35Å; G114-K116 VanDerWaalsContact O-N 3.16Å; K116-K120 WeakPolarHBondContact O-CB 3.36Å; K116-K120 PolarHBondContact O-N 2.76Å
117	L	93.4	Very high	90.9	Very high	51 Å²	51	48.9 Å²	48.9	27%	0.267	26%	0.26	S	S	.	.	H	α-helix	trans	-70.1	-46.7	174	175.7	62.5	0	0	0	110.2	G114 A115 K120 K121 M753 Y756	G114-L117 WeakPolarHBondContact O-CA 3.22Å; G114-L117 WeakPolarHBondContact O-CB 3.33Å; G114-L117 PolarHBondContact O-N 2.72Å; A115-L117 VanDerWaalsContact C-N 3.33Å; A115-L117 PolarHBondContact O-N 2.56Å; L117-K120 WeakPolarHBondContact O-CB 3.06Å; L117-K120 PolarHBondContact O-N 3.36Å; L117-K121 WeakPolarHBondContact O-CG 3.24Å; L117-K121 PolarHBondContact O-N 2.79Å; L117-M753 HydrophobicContact CD2-SD 4.17Å; L117-M753 HydrophobicContact CG-SD 4.35Å; L117-Y756 HydrophobicContact CD2-CD1 4.26Å; L117-Y756 HydrophobicContact CD2-CD2 3.83Å; L117-Y756 HydrophobicContact CD2-CG 3.64Å
118	L	93.2	Very high	90.6	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-45.9	178.8	-171.1	68.1	0	0	0	112.1	G114 A115 K120 K121 Y122 T750 M753 L776 V850 V864	G114-L118 PolarHBondContact O-N 3.33Å; G114-L118 VanDerWaalsContact O-N 3.11Å; A115-L118 PolarHBondContact O-N 2.95Å; L118-K120 VanDerWaalsContact C-N 3.25Å; L118-K120 PolarHBondContact O-N 3.46Å; L118-K121 PolarHBondContact O-N 3.09Å; L118-Y122 HydrophobicContact CD1-CD2 4.13Å; L118-Y122 HydrophobicContact CD1-CE2 3.75Å; L118-Y122 HydrophobicContact CD2-CE2 4.32Å; L118-Y122 HydrophobicContact CG-CD2 3.95Å; L118-Y122 HydrophobicContact CG-CE2 3.85Å; L118-Y122 WeakPolarHBondContact O-CD2 3.41Å; L118-Y122 PolarHBondContact O-N 3.45Å; L118-T750 HydrophobicContact CD1-CG2 4.14Å; L118-M753 HydrophobicContact CB-SD 3.98Å; L118-M753 HydrophobicContact CD1-CG 4.13Å; L118-M753 HydrophobicContact CD1-SD 4.2Å; L118-L776 HydrophobicContact CD1-CD1 3.85Å; L118-L776 HydrophobicContact CD2-CD1 3.43Å; L118-L776 VanDerWaalsContact CD2-CD1 3.43Å; L118-L776 HydrophobicContact CD2-CG 4.4Å; L118-L776 HydrophobicContact CG-CD1 4.26Å; L118-V850 HydrophobicContact CD2-CB 4.31Å; L118-V850 HydrophobicContact CD2-CG1 4.36Å; L118-V850 HydrophobicContact CD2-CG2 4.02Å; L118-V850 HydrophobicContact CG-CG1 4.28Å; L118-V864 HydrophobicContact CD2-CB 4.23Å; L118-V864 HydrophobicContact CD2-CG1 4.48Å
119	Q	92.8	Very high	90.5	Very high	57 Å²	57	50.5 Å²	50.5	27%	0.266	26%	0.263	S	S	.	.	H	α-helix	trans	-61.6	-33.7	176.2	-176.6	58.7	78.7	0	0	112.2	A115 K123 V850 T851	A115-Q119 WeakPolarHBondContact O-CB 3.26Å; A115-Q119 PolarHBondContact O-N 3.31Å; Q119-K123 WeakPolarHBondContact O-CB 3.33Å; Q119-K123 PolarHBondContact O-N 3.15Å; Q119-V850 HydrophobicContact CB-CG1 4.2Å; Q119-T851 PolarHBondContact NE2-O 2.94Å; Q119-T851 VanDerWaalsContact OE1-N 3.1Å
120	K	92.9	Very high	90.3	Very high	126 Å²	126	57.6 Å²	57.6	55%	0.548	29%	0.294	S	S	.	.	H	α-helix	trans	-67.8	-43.2	170.4	-177.2	-178.4	174.2	-176.4	0	111.5	K116 L117 L118 K123 D124	K116-K120 WeakPolarHBondContact O-CB 3.36Å; K116-K120 PolarHBondContact O-N 2.76Å; L117-K120 WeakPolarHBondContact O-CB 3.06Å; L117-K120 PolarHBondContact O-N 3.36Å; L118-K120 VanDerWaalsContact C-N 3.25Å; L118-K120 PolarHBondContact O-N 3.46Å; K120-K123 CarbonylContact O-C 3.59Å; K120-K123 WeakPolarHBondContact O-CA 3.15Å; K120-K123 WeakPolarHBondContact O-CB 3.2Å; K120-K123 PolarHBondContact O-N 3.24Å; K120-K123 VanDerWaalsContact O-N 3.08Å; K120-D124 VanDerWaalsContact O-CG 3.23Å; K120-D124 PolarHBondContact O-N 3.31Å
121	K	92.2	Very high	90.2	Very high	73 Å²	73	58.2 Å²	58.2	32%	0.317	30%	0.297	S	S	.	.	H	α-helix	trans	-64.1	-41.3	-179.6	-74.5	-66.7	179.2	-173.4	0	113.5	L117 L118 K123 D124 V125 V749 P752	L117-K121 WeakPolarHBondContact O-CG 3.24Å; L117-K121 PolarHBondContact O-N 2.79Å; L118-K121 PolarHBondContact O-N 3.09Å; K121-K123 VanDerWaalsContact C-N 3.28Å; K121-K123 PolarHBondContact O-N 3.12Å; K121-D124 PolarHBondContact O-N 3.12Å; K121-V125 PolarHBondContact O-N 2.96Å; K121-V749 HydrophobicContact CB-CG1 4.3Å; K121-P752 HydrophobicContact CD-CG 4.26Å
122	Y	90.8	Very high	90.1	Very high	1 Å²	1	58.6 Å²	58.6	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-63.7	-33.9	170.8	-83.2	-69.6	0	0	0	112.7	L118 V125 E126 F678 F745 V749 V850 V852 A861	L118-Y122 HydrophobicContact CD1-CD2 4.13Å; L118-Y122 HydrophobicContact CD1-CE2 3.75Å; L118-Y122 HydrophobicContact CD2-CE2 4.32Å; L118-Y122 HydrophobicContact CG-CD2 3.95Å; L118-Y122 HydrophobicContact CG-CE2 3.85Å; L118-Y122 WeakPolarHBondContact O-CD2 3.41Å; L118-Y122 PolarHBondContact O-N 3.45Å; Y122-V125 VanDerWaalsContact O-CG2 3.25Å; Y122-V125 WeakPolarHBondContact O-CG2 3.46Å; Y122-V125 PolarHBondContact O-N 3.1Å; Y122-E126 PolarHBondContact O-N 2.91Å; Y122-F678 HydrophobicContact CE1-CE2 4.38Å; Y122-F678 HydrophobicContact CE1-CZ 4.44Å; Y122-F745 HydrophobicContact CE1-CE1 4.34Å; Y122-V749 HydrophobicContact CD1-CG1 3.83Å; Y122-V749 HydrophobicContact CD2-CG1 4.12Å; Y122-V749 HydrophobicContact CE1-CB 4.33Å; Y122-V749 HydrophobicContact CE1-CG1 3.66Å; Y122-V749 HydrophobicContact CE2-CG1 3.98Å; Y122-V749 HydrophobicContact CG-CG1 4.05Å; Y122-V850 HydrophobicContact CD2-CG1 3.67Å; Y122-V850 HydrophobicContact CE2-CG1 4.31Å; Y122-V850 HydrophobicContact CG-CG1 4.43Å; Y122-V852 HydrophobicContact CD1-CG2 3.45Å; Y122-V852 VanDerWaalsContact CD1-CG2 3.45Å; Y122-V852 HydrophobicContact CE1-CG2 4.32Å; Y122-V852 HydrophobicContact CG-CG2 3.92Å; Y122-A861 HydrophobicContact CD1-CB 3.82Å; Y122-A861 HydrophobicContact CD2-CB 4.05Å; Y122-A861 HydrophobicContact CE1-CB 3.59Å; Y122-A861 HydrophobicContact CE2-CB 3.81Å; Y122-A861 HydrophobicContact CG-CB 4.05Å
123	K	90.4	Very high	89.9	Confident	131 Å²	131	64.6 Å²	64.6	57%	0.57	33%	0.33	S	S	*	.	H	α-helix	trans	-68.1	-40.4	173.8	-169.8	169.4	-172	167.5	0	113	Q119 K120 K121 V125 E126	Q119-K123 WeakPolarHBondContact O-CB 3.33Å; Q119-K123 PolarHBondContact O-N 3.15Å; K120-K123 CarbonylContact O-C 3.59Å; K120-K123 WeakPolarHBondContact O-CA 3.15Å; K120-K123 WeakPolarHBondContact O-CB 3.2Å; K120-K123 PolarHBondContact O-N 3.24Å; K120-K123 VanDerWaalsContact O-N 3.08Å; K121-K123 VanDerWaalsContact C-N 3.28Å; K121-K123 PolarHBondContact O-N 3.12Å; K123-V125 PolarHBondContact O-N 3.32Å; K123-E126 WeakPolarHBondContact O-CB 3.26Å; K123-E126 PolarHBondContact O-N 3.31Å
124	D	90.3	Very high	89.7	Confident	93 Å²	93	65.6 Å²	65.6	50%	0.497	34%	0.336	S	S	.	.	H	α-helix	trans	-60.8	-24.7	178.7	-64.8	-23	0	0	0	111.9	K120 K121	K120-D124 VanDerWaalsContact O-CG 3.23Å; K120-D124 PolarHBondContact O-N 3.31Å; K121-D124 PolarHBondContact O-N 3.12Å
125	V	87.1	Confident	89.6	Confident	36 Å²	36	69.3 Å²	69.3	22%	0.218	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	2.3	-180	-59.8	0	0	0	0	115.2	K121 Y122 K123 G127 V128 V129 F745 V749	K121-V125 PolarHBondContact O-N 2.96Å; Y122-V125 VanDerWaalsContact O-CG2 3.25Å; Y122-V125 WeakPolarHBondContact O-CG2 3.46Å; Y122-V125 PolarHBondContact O-N 3.1Å; K123-V125 PolarHBondContact O-N 3.32Å; V125-G127 PolarHBondContact O-N 3.21Å; V125-V128 PolarHBondContact O-N 3.28Å; V125-V129 HydrophobicContact CG2-CG2 4.29Å; V125-V129 WeakPolarHBondContact O-CG2 3.45Å; V125-V129 PolarHBondContact O-N 3.21Å; V125-F745 HydrophobicContact CB-CZ 4.34Å; V125-F745 HydrophobicContact CG2-CZ 3.8Å; V125-V749 HydrophobicContact CG1-CG2 4.36Å; V125-V749 HydrophobicContact CG2-CG2 4.22Å
126	E	84.1	Confident	89.5	Confident	39 Å²	39	69 Å²	69	18%	0.182	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-30.6	-178.4	-82.3	174.5	168.5	0	0	113.6	Y122 K123 V128 V852 T853	Y122-E126 PolarHBondContact O-N 2.91Å; K123-E126 WeakPolarHBondContact O-CB 3.26Å; K123-E126 PolarHBondContact O-N 3.31Å; E126-V128 VanDerWaalsContact C-N 3.35Å; E126-V128 PolarHBondContact O-N 2.63Å; E126-V852 HydrophobicContact CG-CG1 4.31Å; E126-T853 WeakPolarHBondContact CG-O 3.42Å; E126-T853 PolarHBondContact OE1-N 2.97Å; E126-T853 PolarHBondContact OE1-OG1 3.28Å
127	G	81.9	Confident	89.5	Confident	83 Å²	83	66.3 Å²	66.3	86%	0.856	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.4	179	0	0	0	0	0	115.9	V125	V125-G127 PolarHBondContact O-N 3.21Å
128	V	84.3	Confident	89.5	Confident	98 Å²	98	70.2 Å²	70.2	59%	0.594	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	-20	-179.7	-174	0	0	0	0	111.5	V125 E126	V125-V128 PolarHBondContact O-N 3.28Å; E126-V128 VanDerWaalsContact C-N 3.35Å; E126-V128 PolarHBondContact O-N 2.63Å
129	V	88.3	Confident	89.5	Confident	10 Å²	10	71.7 Å²	71.7	6%	0.061	37%	0.368	C	S	.	.			trans	-82.4	137.2	-176.7	172.3	0	0	0	0	111.4	V125 M131 F678 F745 V852	V125-V129 HydrophobicContact CG2-CG2 4.29Å; V125-V129 WeakPolarHBondContact O-CG2 3.45Å; V125-V129 PolarHBondContact O-N 3.21Å; V129-M131 HydrophobicContact CG1-SD 4.49Å; V129-F678 HydrophobicContact CG1-CB 3.62Å; V129-F678 HydrophobicContact CG1-CD2 3.82Å; V129-F678 HydrophobicContact CG1-CG 4.14Å; V129-F745 HydrophobicContact CG2-CE1 4.2Å; V129-F745 HydrophobicContact CG2-CE2 4.04Å; V129-F745 HydrophobicContact CG2-CZ 3.43Å; V129-F745 VanDerWaalsContact CG2-CZ 3.43Å; V129-V852 HydrophobicContact CG1-CG1 4.24Å
130	K	89.1	Confident	89.6	Confident	149 Å²	149	69 Å²	69	65%	0.648	36%	0.356	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	141.7	169.8	-64.1	178.9	-178.2	178	0	109.8	F678 T679	K130-F678 CarbonylContact O-C 3.43Å; K130-F678 VanDerWaalsContact O-CA 3.22Å; K130-F678 WeakPolarHBondContact O-CA 3.02Å; K130-T679 PolarHBondContact N-O 3.45Å; K130-T679 PolarHBondContact O-N 3.29Å
131	M	89.6	Confident	89.7	Confident	34 Å²	34	66.9 Å²	66.9	17%	0.167	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	121.8	171.7	-60.3	-65.1	-62.7	0	0	109.5	V129 F678 V852 V854 K857 A859	V129-M131 HydrophobicContact CG1-SD 4.49Å; M131-F678 HydrophobicContact CE-CB 4.38Å; M131-F678 HydrophobicContact SD-CB 3.54Å; M131-F678 VanDerWaalsContact SD-CB 3.54Å; M131-V852 HydrophobicContact SD-CG1 4.44Å; M131-V854 HydrophobicContact CG-CB 3.54Å; M131-V854 HydrophobicContact CG-CG1 4.4Å; M131-V854 HydrophobicContact CG-CG2 3.61Å; M131-V854 HydrophobicContact SD-CB 4.37Å; M131-V854 HydrophobicContact SD-CG2 3.91Å; M131-K857 HydrophobicContact CB-CD 4.44Å; M131-K857 HydrophobicContact CE-CB 4.22Å; M131-K857 HydrophobicContact CG-CB 4.49Å; M131-A859 HydrophobicContact CE-CB 3.61Å
132	E	88.8	Confident	89.8	Confident	92 Å²	92	68.1 Å²	68.1	43%	0.43	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	150.4	175.3	-70.4	163.4	-152.5	0	0	109	Y676 I677 T679	E132-Y676 WeakPolarHBondContact O-CA 3.49Å; E132-I677 PolarHBondContact N-O 3.21Å; E132-I677 PolarHBondContact O-N 2.79Å; E132-I677 VanDerWaalsContact O-O 3.11Å; E132-T679 PolarHBondContact OE1-OG1 3.04Å
133	E	88.8	Confident	90	Very high	128 Å²	128	68.1 Å²	68.1	60%	0.598	35%	0.352	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.2	132.1	-179.5	-171.1	167.5	152.7	0	0	108.8	N135 E675 Y676 K857	E133-N135 PolarHBondContact O-N 2.92Å; E133-E675 WeakPolarHBondContact CA-O 3.49Å; E133-Y676 HydrophobicContact CB-CD1 4.13Å; E133-Y676 HydrophobicContact CB-CE1 4.13Å; E133-Y676 HydrophobicContact CG-CD1 4.1Å; E133-Y676 HydrophobicContact CG-CE1 3.74Å; E133-K857 IonicContact OE2-NZ 3.62Å; E133-K857 PolarHBondContact OE2-NZ 3.26Å
134	V	88.6	Confident	90.3	Very high	22 Å²	22	62.1 Å²	62.1	13%	0.133	33%	0.327	C	S	.	.			trans	-89	99.4	-169.2	-175.5	0	0	0	0	109.8	G136 L139 L669 G674 E675 I677	V134-G136 PolarHBondContact O-N 3.04Å; V134-L139 HydrophobicContact CG1-CD1 3.46Å; V134-L139 VanDerWaalsContact CG1-CD1 3.46Å; V134-L669 HydrophobicContact CG1-CD1 4.06Å; V134-L669 HydrophobicContact CG1-CD2 4.49Å; V134-G674 WeakPolarHBondContact CB-O 3.35Å; V134-G674 WeakPolarHBondContact CG2-O 3.15Å; V134-E675 PolarHBondContact N-O 3.47Å; V134-I677 HydrophobicContact CG2-CB 3.95Å; V134-I677 HydrophobicContact CG2-CD1 3.57Å; V134-I677 HydrophobicContact CG2-CG1 3.59Å
135	N	90.6	Very high	90.5	Very high	79 Å²	79	63.7 Å²	63.7	42%	0.422	33%	0.331	S	S	.	.			trans	-78.7	99.4	175.7	-174.5	3	0	0	0	111	E133 E137 E138 L139	E133-N135 PolarHBondContact O-N 2.92Å; N135-E137 VanDerWaalsContact C-N 3.25Å; N135-E137 PolarHBondContact O-N 3.45Å; N135-E137 PolarHBondContact OD1-N 2.84Å; N135-E138 HydrophobicContact CB-CB 4.06Å; N135-E138 PolarHBondContact ND2-OE2 3.16Å; N135-E138 PolarHBondContact O-N 3.44Å; N135-L139 PolarHBondContact O-N 3.25Å
136	G	90.3	Very high	90.8	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-60.1	-29.8	178.9	0	0	0	0	0	114.5	V134 V140	V134-G136 PolarHBondContact O-N 3.04Å; G136-V140 WeakPolarHBondContact O-CB 3.15Å; G136-V140 PolarHBondContact O-N 2.88Å
137	E	92.1	Very high	91.3	Very high	89 Å²	89	62.9 Å²	62.9	42%	0.416	33%	0.325	S	S	.	.	H	α-helix	trans	-73.4	-33.7	179.6	-162.1	-166.1	144.9	0	0	112.1	N135 V140 K141 F654	N135-E137 VanDerWaalsContact C-N 3.25Å; N135-E137 PolarHBondContact O-N 3.45Å; N135-E137 PolarHBondContact OD1-N 2.84Å; E137-V140 WeakPolarHBondContact O-CG1 3.27Å; E137-K141 WeakPolarHBondContact O-CD 3.47Å; E137-K141 WeakPolarHBondContact O-CG 3.39Å; E137-K141 PolarHBondContact O-N 2.85Å; E137-K141 IonicContact OE1-NZ 3.85Å; E137-K141 PolarHBondContact OE1-NZ 3.34Å; E137-F654 HydrophobicContact CB-CD1 4.22Å; E137-F654 VanDerWaalsContact N-CD1 3.31Å
138	E	93.3	Very high	91.9	Very high	132 Å²	132	61.5 Å²	61.5	62%	0.617	30%	0.296	S	S	*	.	H	α-helix	trans	-75.9	-40.8	174.9	-173.3	176.7	168	0	0	111	N135 K141 K142	N135-E138 HydrophobicContact CB-CB 4.06Å; N135-E138 PolarHBondContact ND2-OE2 3.16Å; N135-E138 PolarHBondContact O-N 3.44Å; E138-K141 PolarHBondContact O-N 3.11Å; E138-K142 WeakPolarHBondContact O-CB 3.33Å; E138-K142 PolarHBondContact O-N 2.91Å
139	L	93.1	Very high	92.4	Very high	32 Å²	32	63 Å²	63	17%	0.168	30%	0.297	C	S	.	.	H	α-helix	trans	-62.1	-43	175	-74.9	-176.4	0	0	0	112.9	V134 N135 K142 F143 L566 I667	V134-L139 HydrophobicContact CG1-CD1 3.46Å; V134-L139 VanDerWaalsContact CG1-CD1 3.46Å; N135-L139 PolarHBondContact O-N 3.25Å; L139-K142 PolarHBondContact O-N 3.1Å; L139-F143 HydrophobicContact CD2-CE1 4.33Å; L139-F143 HydrophobicContact CD2-CZ 4.22Å; L139-F143 WeakPolarHBondContact O-CB 3.46Å; L139-F143 WeakPolarHBondContact O-CG 3.34Å; L139-F143 PolarHBondContact O-N 2.96Å; L139-L566 HydrophobicContact CD1-CD2 4.23Å; L139-I667 HydrophobicContact CB-CD1 4.48Å
140	V	95	Very high	92.5	Very high	2 Å²	2	63.2 Å²	63.2	1%	0.012	30%	0.297	C	S	.	.	H	α-helix	trans	-67.6	-37.3	-178.3	76.3	0	0	0	0	112.2	G136 E137 A144 F654 T656 L665 I667	G136-V140 WeakPolarHBondContact O-CB 3.15Å; G136-V140 PolarHBondContact O-N 2.88Å; E137-V140 WeakPolarHBondContact O-CG1 3.27Å; V140-A144 VanDerWaalsContact O-CB 3.28Å; V140-A144 WeakPolarHBondContact O-CB 3.29Å; V140-A144 PolarHBondContact O-N 3.12Å; V140-F654 HydrophobicContact CB-CB 4.25Å; V140-F654 HydrophobicContact CG1-CB 4.12Å; V140-T656 HydrophobicContact CG1-CG2 4.47Å; V140-T656 HydrophobicContact CG2-CG2 3.9Å; V140-L665 HydrophobicContact CG2-CD2 4.03Å; V140-L665 HydrophobicContact CG2-CG 4.08Å; V140-I667 VanDerWaalsContact CA-CD1 3.49Å; V140-I667 HydrophobicContact CB-CD1 3.75Å; V140-I667 HydrophobicContact CB-CG1 4.26Å; V140-I667 HydrophobicContact CG2-CB 4.41Å; V140-I667 HydrophobicContact CG2-CD1 3.89Å; V140-I667 HydrophobicContact CG2-CG1 3.97Å
141	K	94.9	Very high	92.7	Very high	80 Å²	80	56.1 Å²	56.1	35%	0.348	27%	0.266	S	S	.	.	H	α-helix	trans	-65.5	-48.4	173.8	-69.3	171.7	-169.4	170.5	0	111	E137 E138 F143 A144 E145	E137-K141 WeakPolarHBondContact O-CD 3.47Å; E137-K141 WeakPolarHBondContact O-CG 3.39Å; E137-K141 PolarHBondContact O-N 2.85Å; E137-K141 IonicContact OE1-NZ 3.85Å; E137-K141 PolarHBondContact OE1-NZ 3.34Å; E138-K141 PolarHBondContact O-N 3.11Å; K141-F143 PolarHBondContact O-N 2.87Å; K141-A144 PolarHBondContact O-N 3.43Å; K141-E145 WeakPolarHBondContact O-CG 3.4Å; K141-E145 PolarHBondContact O-N 3.08Å
142	K	94.9	Very high	92.9	Very high	100 Å²	100	54.9 Å²	54.9	44%	0.435	26%	0.262	S	S	.	.	H	α-helix	trans	-58.8	-45.8	177.8	177.6	169	176.8	165.9	0	113.1	E138 L139 A144 E145 E146	E138-K142 WeakPolarHBondContact O-CB 3.33Å; E138-K142 PolarHBondContact O-N 2.91Å; L139-K142 PolarHBondContact O-N 3.1Å; K142-A144 VanDerWaalsContact C-N 3.33Å; K142-E145 PolarHBondContact O-N 2.81Å; K142-E146 WeakPolarHBondContact CE-OE1 3.37Å; K142-E146 IonicContact NZ-OE1 3.03Å; K142-E146 WeakPolarHBondContact O-CG 3.47Å; K142-E146 PolarHBondContact O-N 3.34Å
143	F	95.1	Very high	93.1	Very high	1 Å²	1	55.4 Å²	55.4	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-69.3	-32.9	178.2	-67.2	-6.7	0	0	0	111.9	L139 K141 M147 A561 K565 L566 L665 I667	L139-F143 HydrophobicContact CD2-CE1 4.33Å; L139-F143 HydrophobicContact CD2-CZ 4.22Å; L139-F143 WeakPolarHBondContact O-CB 3.46Å; L139-F143 WeakPolarHBondContact O-CG 3.34Å; L139-F143 PolarHBondContact O-N 2.96Å; K141-F143 PolarHBondContact O-N 2.87Å; F143-M147 WeakPolarHBondContact O-CB 3.36Å; F143-M147 WeakPolarHBondContact O-CG 3.14Å; F143-M147 PolarHBondContact O-N 3.04Å; F143-A561 HydrophobicContact CD2-CB 3.5Å; F143-A561 HydrophobicContact CE2-CB 3.82Å; F143-A561 HydrophobicContact CG-CB 4.22Å; F143-K565 HydrophobicContact CE1-CD 3.97Å; F143-K565 HydrophobicContact CZ-CB 4.24Å; F143-K565 HydrophobicContact CZ-CD 3.76Å; F143-L566 HydrophobicContact CE2-CD2 3.93Å; F143-L566 HydrophobicContact CE2-CG 4.4Å; F143-L665 HydrophobicContact CB-CD2 3.74Å; F143-I667 HydrophobicContact CD2-CD1 3.41Å; F143-I667 VanDerWaalsContact CD2-CD1 3.41Å; F143-I667 HydrophobicContact CD2-CG1 4.46Å; F143-I667 HydrophobicContact CE2-CD1 3.91Å; F143-I667 HydrophobicContact CG-CD1 4.29Å
144	A	95.6	Very high	93.2	Very high	5 Å²	5	49.4 Å²	49.4	4%	0.041	23%	0.232	C	C	.	.	H	α-helix	trans	-65.3	-42.8	172.7	0	0	0	0	0	111.7	V140 K141 K142 M147 E148 T656 I658 L665	V140-A144 VanDerWaalsContact O-CB 3.28Å; V140-A144 WeakPolarHBondContact O-CB 3.29Å; V140-A144 PolarHBondContact O-N 3.12Å; K141-A144 PolarHBondContact O-N 3.43Å; K142-A144 VanDerWaalsContact C-N 3.33Å; A144-M147 PolarHBondContact O-N 3.1Å; A144-E148 VanDerWaalsContact O-CB 3.26Å; A144-E148 WeakPolarHBondContact O-CB 3.05Å; A144-E148 PolarHBondContact O-N 3.38Å; A144-T656 HydrophobicContact CB-CG2 3.55Å; A144-I658 HydrophobicContact CB-CG1 4.24Å; A144-L665 HydrophobicContact CB-CD2 4.18Å
145	E	95.6	Very high	93.5	Very high	125 Å²	125	49.1 Å²	49.1	58%	0.584	23%	0.23	S	C	*	.	H	α-helix	trans	-61.6	-45.6	174.4	-71.3	167.5	-169.6	0	0	112.1	K141 K142 M147 E148 E149	K141-E145 WeakPolarHBondContact O-CG 3.4Å; K141-E145 PolarHBondContact O-N 3.08Å; K142-E145 PolarHBondContact O-N 2.81Å; E145-M147 VanDerWaalsContact C-N 3.33Å; E145-M147 PolarHBondContact O-N 3.32Å; E145-E148 PolarHBondContact O-N 2.99Å; E145-E149 PolarHBondContact O-N 3.34Å
146	E	93.3	Very high	93.6	Very high	58 Å²	58	51.9 Å²	51.9	27%	0.271	24%	0.238	S	C	.	.	H	α-helix	trans	-63.4	-36.7	176.3	-72.6	173.9	-176.3	0	0	112	K142 M150	K142-E146 WeakPolarHBondContact CE-OE1 3.37Å; K142-E146 IonicContact NZ-OE1 3.03Å; K142-E146 WeakPolarHBondContact O-CG 3.47Å; K142-E146 PolarHBondContact O-N 3.34Å; E146-M150 PolarHBondContact O-N 3.2Å
147	M	94.5	Very high	93.8	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-72	-40.5	174.1	-73.1	175.7	-175.2	0	0	112.4	F143 A144 E145 M150 L151 L557 L560 A561 L574 I658 L665	F143-M147 WeakPolarHBondContact O-CB 3.36Å; F143-M147 WeakPolarHBondContact O-CG 3.14Å; F143-M147 PolarHBondContact O-N 3.04Å; A144-M147 PolarHBondContact O-N 3.1Å; E145-M147 VanDerWaalsContact C-N 3.33Å; E145-M147 PolarHBondContact O-N 3.32Å; M147-M150 PolarHBondContact O-N 3.38Å; M147-L151 WeakPolarHBondContact O-CB 3.34Å; M147-L151 VanDerWaalsContact O-CG 3.3Å; M147-L151 WeakPolarHBondContact O-CG 3.28Å; M147-L151 PolarHBondContact O-N 2.65Å; M147-L557 HydrophobicContact CB-CD2 4.34Å; M147-L557 WeakPolarHBondContact CE-O 3.31Å; M147-L557 HydrophobicContact CG-CD2 4.1Å; M147-L560 HydrophobicContact CB-CD1 4.48Å; M147-L560 HydrophobicContact CE-CB 4.43Å; M147-L560 HydrophobicContact CG-CB 4.47Å; M147-L560 HydrophobicContact CG-CD1 3.83Å; M147-A561 HydrophobicContact CE-CB 4.02Å; M147-L574 HydrophobicContact SD-CD2 4.1Å; M147-I658 HydrophobicContact CB-CD1 4.07Å; M147-I658 HydrophobicContact SD-CD1 3.94Å; M147-L665 HydrophobicContact CE-CD1 4.08Å; M147-L665 HydrophobicContact SD-CD1 4.07Å; M147-L665 HydrophobicContact SD-CD2 4.16Å
148	E	95.1	Very high	93.9	Very high	54 Å²	54	48.1 Å²	48.1	25%	0.252	22%	0.221	S	C	.	.	H	α-helix	trans	-59.7	-46.3	176.3	-175.5	178.6	141.9	0	0	111	A144 E145 M150 L151 G152 I658 N659	A144-E148 VanDerWaalsContact O-CB 3.26Å; A144-E148 WeakPolarHBondContact O-CB 3.05Å; A144-E148 PolarHBondContact O-N 3.38Å; E145-E148 PolarHBondContact O-N 2.99Å; E148-M150 VanDerWaalsContact C-N 3.31Å; E148-M150 PolarHBondContact O-N 3Å; E148-L151 PolarHBondContact O-N 3.04Å; E148-G152 WeakPolarHBondContact O-CA 3.42Å; E148-G152 PolarHBondContact O-N 3.4Å; E148-I658 HydrophobicContact CB-CG2 3.96Å; E148-N659 VanDerWaalsContact OE2-CB 3.28Å; E148-N659 WeakPolarHBondContact OE2-CB 3.31Å; E148-N659 PolarHBondContact OE2-N 3.15Å; E148-N659 PolarHBondContact OE2-ND2 3.41Å
149	E	93.4	Very high	94	Very high	131 Å²	131	46.1 Å²	46.1	61%	0.612	21%	0.21	S	C	*	.	H	α-helix	trans	-62.3	-38.3	176.3	-173.1	-177.4	177.5	0	0	112.2	E145 R153	E145-E149 PolarHBondContact O-N 3.34Å; E149-R153 WeakPolarHBondContact O-CG 3.04Å; E149-R153 PolarHBondContact O-N 3.43Å; E149-R153 PolarHBondContact O-NE 2.98Å
150	M	91.4	Very high	94.1	Very high	13 Å²	13	48.3 Å²	48.3	6%	0.064	22%	0.216	C	C	.	.	H	α-helix	trans	-70.2	-48	178.2	-169.8	-103.4	-85.5	0	0	112	E146 M147 E148 R153 K154 V552 E556 L557 L560	E146-M150 PolarHBondContact O-N 3.2Å; M147-M150 PolarHBondContact O-N 3.38Å; E148-M150 VanDerWaalsContact C-N 3.31Å; E148-M150 PolarHBondContact O-N 3Å; M150-R153 WeakPolarHBondContact O-CB 3.5Å; M150-R153 PolarHBondContact O-N 3.49Å; M150-K154 WeakPolarHBondContact O-CG 3.26Å; M150-K154 PolarHBondContact O-N 3.09Å; M150-V552 HydrophobicContact SD-CG1 4.24Å; M150-E556 HydrophobicContact CE-CB 4.49Å; M150-L557 HydrophobicContact CE-CB 4.41Å; M150-L557 HydrophobicContact CE-CD2 3.44Å; M150-L557 VanDerWaalsContact CE-CD2 3.44Å; M150-L557 HydrophobicContact CE-CG 3.76Å; M150-L557 HydrophobicContact SD-CD2 4.23Å; M150-L560 HydrophobicContact CB-CD1 4.29Å; M150-L560 HydrophobicContact CE-CD1 4Å
151	L	93.3	Very high	94.1	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-67.4	-39.2	179.3	-65.2	170.8	0	0	0	111.6	M147 E148 R153 K154 M155 W504 V552 L557 I658 T661 F663	M147-L151 WeakPolarHBondContact O-CB 3.34Å; M147-L151 VanDerWaalsContact O-CG 3.3Å; M147-L151 WeakPolarHBondContact O-CG 3.28Å; M147-L151 PolarHBondContact O-N 2.65Å; E148-L151 PolarHBondContact O-N 3.04Å; L151-R153 VanDerWaalsContact C-N 3.29Å; L151-R153 PolarHBondContact O-N 3.07Å; L151-K154 WeakPolarHBondContact O-CA 3.49Å; L151-K154 WeakPolarHBondContact O-CB 3.37Å; L151-K154 PolarHBondContact O-N 3.47Å; L151-M155 WeakPolarHBondContact O-CG 3.41Å; L151-M155 PolarHBondContact O-N 3.43Å; L151-W504 HydrophobicContact CB-CH2 3.94Å; L151-W504 HydrophobicContact CB-CZ2 3.93Å; L151-W504 HydrophobicContact CD2-CH2 3.4Å; L151-W504 VanDerWaalsContact CD2-CH2 3.4Å; L151-W504 HydrophobicContact CD2-CZ2 4.16Å; L151-W504 HydrophobicContact CD2-CZ3 3.77Å; L151-W504 HydrophobicContact CG-CH2 4.21Å; L151-V552 HydrophobicContact CD2-CG1 4.2Å; L151-V552 HydrophobicContact CD2-CG2 4.39Å; L151-L557 HydrophobicContact CD1-CD2 4.08Å; L151-L557 HydrophobicContact CD2-CD1 4.26Å; L151-L557 HydrophobicContact CD2-CD2 3.9Å; L151-L557 HydrophobicContact CG-CD2 3.96Å; L151-I658 HydrophobicContact CD1-CG2 4.33Å; L151-T661 HydrophobicContact CB-CG2 4.31Å; L151-T661 HydrophobicContact CD1-CG2 4.04Å; L151-F663 HydrophobicContact CD1-CD2 4.27Å
152	G	93.6	Very high	94.1	Very high	8 Å²	8	44.4 Å²	44.4	8%	0.082	20%	0.199	C	C	.	.	H	α-helix	trans	-63.1	-30.1	174.5	0	0	0	0	0	113.5	E148 K156	E148-G152 WeakPolarHBondContact O-CA 3.42Å; E148-G152 PolarHBondContact O-N 3.4Å; G152-K156 WeakPolarHBondContact O-CD 3.43Å; G152-K156 VanDerWaalsContact O-CG 3.27Å; G152-K156 WeakPolarHBondContact O-CG 3.37Å; G152-K156 PolarHBondContact O-N 3.42Å; G152-K156 VanDerWaalsContact O-N 3.13Å
153	R	92.1	Very high	94.1	Very high	103 Å²	103	44.5 Å²	44.5	39%	0.389	20%	0.201	S	C	.	.	H	α-helix	trans	-65.3	-42.3	168.3	-80	-178.1	-76	162.1	-8.5	111.9	E149 M150 L151 K156 S157	E149-R153 WeakPolarHBondContact O-CG 3.04Å; E149-R153 PolarHBondContact O-N 3.43Å; E149-R153 PolarHBondContact O-NE 2.98Å; M150-R153 WeakPolarHBondContact O-CB 3.5Å; M150-R153 PolarHBondContact O-N 3.49Å; L151-R153 VanDerWaalsContact C-N 3.29Å; L151-R153 PolarHBondContact O-N 3.07Å; R153-K156 PolarHBondContact O-N 2.98Å; R153-S157 PolarHBondContact O-N 3.2Å; R153-S157 VanDerWaalsContact O-N 3.08Å; R153-S157 PolarHBondContact O-OG 2.97Å
154	K	92.4	Very high	94	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.009	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-45.2	175.7	-49	-55.8	179.1	-164	0	111.9	M150 L151 K156 S157 V158 D258 T260 L261 W504 V527 T550 V552	M150-K154 WeakPolarHBondContact O-CG 3.26Å; M150-K154 PolarHBondContact O-N 3.09Å; L151-K154 WeakPolarHBondContact O-CA 3.49Å; L151-K154 WeakPolarHBondContact O-CB 3.37Å; L151-K154 PolarHBondContact O-N 3.47Å; K154-K156 VanDerWaalsContact C-N 3.3Å; K154-K156 PolarHBondContact O-N 3.29Å; K154-S157 WeakPolarHBondContact O-CB 3.44Å; K154-S157 PolarHBondContact O-N 3.13Å; K154-S157 VanDerWaalsContact O-N 3.1Å; K154-V158 PolarHBondContact O-N 3.35Å; K154-D258 IonicContact NZ-OD1 3.87Å; K154-D258 PolarHBondContact NZ-OD1 2.97Å; K154-D258 IonicContact NZ-OD2 2.67Å; K154-D258 PolarHBondContact NZ-OD2 2.89Å; K154-T260 PolarHBondContact NZ-OG1 3.38Å; K154-L261 HydrophobicContact CD-CD2 3.58Å; K154-L261 HydrophobicContact CD-CG 4.31Å; K154-W504 HydrophobicContact CB-CH2 4.47Å; K154-V527 HydrophobicContact CB-CG1 3.98Å; K154-T550 HydrophobicContact CB-CG2 4.1Å; K154-V552 HydrophobicContact CB-CG2 4.36Å; K154-V552 HydrophobicContact CD-CG2 4.43Å; K154-V552 HydrophobicContact CG-CG2 3.8Å
155	M	93.6	Very high	94	Very high	17 Å²	17	45.3 Å²	45.3	8%	0.084	21%	0.208	C	C	.	.	H	α-helix	trans	-57.6	-42.2	175.8	-68.8	169	68	0	0	111.7	L151 V158 K159 I502 W504 V527 E660	L151-M155 WeakPolarHBondContact O-CG 3.41Å; L151-M155 PolarHBondContact O-N 3.43Å; M155-V158 PolarHBondContact O-N 3.32Å; M155-K159 WeakPolarHBondContact O-CG 3.42Å; M155-K159 PolarHBondContact O-N 3.12Å; M155-I502 HydrophobicContact CB-CD1 4.3Å; M155-I502 HydrophobicContact CE-CD1 4.17Å; M155-I502 HydrophobicContact CE-CG2 4.2Å; M155-I502 HydrophobicContact CG-CG2 4.34Å; M155-W504 HydrophobicContact CG-CZ2 3.65Å; M155-W504 HydrophobicContact SD-CZ2 3.84Å; M155-V527 HydrophobicContact CG-CG2 4.03Å; M155-E660 HydrophobicContact CE-CB 4.19Å; M155-E660 HydrophobicContact SD-CB 4.44Å
156	K	93.8	Very high	93.9	Very high	136 Å²	136	39.5 Å²	39.5	59%	0.591	18%	0.181	S	C	*	.	H	α-helix	trans	-63.5	-39.8	175.1	-71.2	163.7	-171.3	168.8	0	112.3	G152 R153 K154 K159 R160	G152-K156 WeakPolarHBondContact O-CD 3.43Å; G152-K156 VanDerWaalsContact O-CG 3.27Å; G152-K156 WeakPolarHBondContact O-CG 3.37Å; G152-K156 PolarHBondContact O-N 3.42Å; G152-K156 VanDerWaalsContact O-N 3.13Å; R153-K156 PolarHBondContact O-N 2.98Å; K154-K156 VanDerWaalsContact C-N 3.3Å; K154-K156 PolarHBondContact O-N 3.29Å; K156-K159 PolarHBondContact O-N 3.31Å; K156-R160 VanDerWaalsContact O-CG 3.31Å; K156-R160 WeakPolarHBondContact O-CG 3.48Å; K156-R160 PolarHBondContact O-N 2.88Å
157	S	94.1	Very high	93.9	Very high	11 Å²	11	41.1 Å²	41.1	8%	0.077	19%	0.192	C	C	.	.	H	α-helix	trans	-62.5	-39.6	174.5	-65.5	0	0	0	0	112.8	R153 K154 L161 N254	R153-S157 PolarHBondContact O-N 3.2Å; R153-S157 VanDerWaalsContact O-N 3.08Å; R153-S157 PolarHBondContact O-OG 2.97Å; K154-S157 WeakPolarHBondContact O-CB 3.44Å; K154-S157 PolarHBondContact O-N 3.13Å; K154-S157 VanDerWaalsContact O-N 3.1Å; S157-L161 WeakPolarHBondContact O-CG 3.43Å; S157-L161 PolarHBondContact O-N 3.11Å; S157-N254 PolarHBondContact O-ND2 3.29Å
158	V	95.1	Very high	93.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-69.3	-44.2	176.5	178	0	0	0	0	111.9	K154 M155 R160 L161 A162 V527 M529 V548 T550	K154-V158 PolarHBondContact O-N 3.35Å; M155-V158 PolarHBondContact O-N 3.32Å; V158-R160 VanDerWaalsContact C-N 3.29Å; V158-R160 PolarHBondContact O-N 3.08Å; V158-L161 WeakPolarHBondContact O-CB 3.34Å; V158-L161 PolarHBondContact O-N 2.81Å; V158-A162 PolarHBondContact O-N 2.91Å; V158-V527 HydrophobicContact CG2-CG1 3.83Å; V158-V527 HydrophobicContact CG2-CG2 4.31Å; V158-M529 HydrophobicContact CG1-CB 3.52Å; V158-M529 HydrophobicContact CG1-SD 4.31Å; V158-V548 HydrophobicContact CG1-CG2 3.79Å; V158-T550 HydrophobicContact CG2-CG2 3.63Å
159	K	94.8	Very high	93.7	Very high	91 Å²	91	40.2 Å²	40.2	40%	0.396	19%	0.191	S	C	.	.	H	α-helix	trans	-53.4	-47.2	175.4	-73.3	-178.2	-179.3	-171.2	0	111.9	M155 K156 L161 A162 E163 I502 M529	M155-K159 WeakPolarHBondContact O-CG 3.42Å; M155-K159 PolarHBondContact O-N 3.12Å; K156-K159 PolarHBondContact O-N 3.31Å; K159-L161 VanDerWaalsContact C-N 3.31Å; K159-L161 PolarHBondContact O-N 3.39Å; K159-A162 PolarHBondContact O-N 2.04Å; K159-E163 WeakPolarHBondContact O-CB 3.46Å; K159-E163 VanDerWaalsContact O-CG 3.29Å; K159-E163 WeakPolarHBondContact O-CG 3.42Å; K159-E163 PolarHBondContact O-N 3.45Å; K159-I502 HydrophobicContact CD-CD1 4.18Å; K159-I502 HydrophobicContact CG-CD1 3.84Å; K159-M529 HydrophobicContact CB-CE 4.49Å; K159-M529 HydrophobicContact CB-SD 4.32Å; K159-M529 HydrophobicContact CG-CE 4.19Å; K159-M529 HydrophobicContact CG-SD 3.82Å
160	R	94.9	Very high	93.5	Very high	77 Å²	77	38.4 Å²	38.4	29%	0.291	19%	0.185	S	C	.	.	H	α-helix	trans	-63.1	-33.3	177	-67.5	178.4	69.5	-142.6	-1.2	113.8	K156 V158 A164 D253 N254	K156-R160 VanDerWaalsContact O-CG 3.31Å; K156-R160 WeakPolarHBondContact O-CG 3.48Å; K156-R160 PolarHBondContact O-N 2.88Å; V158-R160 VanDerWaalsContact C-N 3.29Å; V158-R160 PolarHBondContact O-N 3.08Å; R160-A164 VanDerWaalsContact O-CB 3.24Å; R160-A164 WeakPolarHBondContact O-CB 3.43Å; R160-A164 PolarHBondContact O-N 3.4Å; R160-A164 VanDerWaalsContact O-N 3.14Å; R160-D253 IonicContact CZ-OD2 2.69Å; R160-D253 IonicContact NH1-OD2 3.76Å; R160-D253 PolarHBondContact NH1-OD2 3.39Å; R160-D253 IonicContact NH2-OD2 2.78Å; R160-D253 PolarHBondContact NH2-OD2 3.15Å; R160-N254 PolarHBondContact NH1-OD1 2.97Å
161	L	95.3	Very high	93.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-72.8	-39.3	175.7	-75.7	167.9	0	0	0	111.9	S157 V158 K159 A165 L247 I250 F251 Q264 V548	S157-L161 WeakPolarHBondContact O-CG 3.43Å; S157-L161 PolarHBondContact O-N 3.11Å; V158-L161 WeakPolarHBondContact O-CB 3.34Å; V158-L161 PolarHBondContact O-N 2.81Å; K159-L161 VanDerWaalsContact C-N 3.31Å; K159-L161 PolarHBondContact O-N 3.39Å; L161-A165 WeakPolarHBondContact O-CB 3.33Å; L161-A165 PolarHBondContact O-N 3.17Å; L161-L247 HydrophobicContact CD2-CD2 4.49Å; L161-I250 HydrophobicContact CD2-CB 3.97Å; L161-I250 HydrophobicContact CD2-CG2 3.59Å; L161-I250 HydrophobicContact CG-CG2 4.1Å; L161-F251 HydrophobicContact CD1-CD1 4.02Å; L161-F251 HydrophobicContact CD1-CE1 3.84Å; L161-F251 HydrophobicContact CD2-CD1 3.49Å; L161-F251 VanDerWaalsContact CD2-CD1 3.49Å; L161-F251 HydrophobicContact CD2-CE1 3.49Å; L161-F251 VanDerWaalsContact CD2-CE1 3.49Å; L161-F251 HydrophobicContact CD2-CG 4.32Å; L161-F251 HydrophobicContact CD2-CZ 4.31Å; L161-F251 HydrophobicContact CG-CD1 4.42Å; L161-F251 HydrophobicContact CG-CE1 4.32Å; L161-Q264 HydrophobicContact CD1-CB 4.38Å; L161-V548 HydrophobicContact CB-CB 4.25Å; L161-V548 HydrophobicContact CB-CG1 4.08Å; L161-V548 HydrophobicContact CB-CG2 4.42Å
162	A	94.6	Very high	93.3	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-63	-56	174	0	0	0	0	0	110.2	V158 K159 A164 A165 E166 M529 V531 V548	V158-A162 PolarHBondContact O-N 2.91Å; K159-A162 PolarHBondContact O-N 2.04Å; A162-A164 VanDerWaalsContact C-N 3.3Å; A162-A164 PolarHBondContact O-N 2.95Å; A162-A165 WeakPolarHBondContact O-CB 3.43Å; A162-A165 PolarHBondContact O-N 2.96Å; A162-E166 WeakPolarHBondContact O-CG 3.44Å; A162-E166 PolarHBondContact O-N 2.82Å; A162-M529 HydrophobicContact CB-CE 3.47Å; A162-M529 VanDerWaalsContact CB-CE 3.47Å; A162-M529 HydrophobicContact CB-CG 4.16Å; A162-M529 HydrophobicContact CB-SD 3.76Å; A162-V531 HydrophobicContact CB-CG2 4.28Å; A162-V548 HydrophobicContact CB-CG2 3.74Å
163	E	93.8	Very high	93.1	Very high	102 Å²	102	50.5 Å²	50.5	48%	0.477	26%	0.258	S	S	.	.	H	α-helix	trans	-50.1	-48.8	178	-71.7	164	-173.7	0	0	111.9	K159 A165 E166 D167	K159-E163 WeakPolarHBondContact O-CB 3.46Å; K159-E163 VanDerWaalsContact O-CG 3.29Å; K159-E163 WeakPolarHBondContact O-CG 3.42Å; K159-E163 PolarHBondContact O-N 3.45Å; E163-A165 PolarHBondContact O-N 2.89Å; E163-E166 PolarHBondContact O-N 3.43Å; E163-D167 WeakPolarHBondContact O-CB 3.21Å; E163-D167 VanDerWaalsContact O-CG 3.29Å; E163-D167 PolarHBondContact O-N 2.9Å
164	A	94.8	Very high	92.9	Very high	23 Å²	23	51.2 Å²	51.2	19%	0.19	26%	0.262	C	S	.	.	H	α-helix	trans	-65.7	-33.6	178.3	0	0	0	0	0	113.9	R160 A162 A168 L247 I250	R160-A164 VanDerWaalsContact O-CB 3.24Å; R160-A164 WeakPolarHBondContact O-CB 3.43Å; R160-A164 PolarHBondContact O-N 3.4Å; R160-A164 VanDerWaalsContact O-N 3.14Å; A162-A164 VanDerWaalsContact C-N 3.3Å; A162-A164 PolarHBondContact O-N 2.95Å; A164-A168 WeakPolarHBondContact O-CB 3.32Å; A164-A168 PolarHBondContact O-N 3.33Å; A164-A168 VanDerWaalsContact O-N 3.08Å; A164-L247 HydrophobicContact CB-CD2 4.04Å; A164-I250 HydrophobicContact CB-CD1 4.49Å; A164-I250 HydrophobicContact CB-CG1 3.88Å
165	A	94.6	Very high	92.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-70.5	-41.1	175.6	0	0	0	0	0	111.6	L161 A162 E163 A168 D169 M243 L247 V531	L161-A165 WeakPolarHBondContact O-CB 3.33Å; L161-A165 PolarHBondContact O-N 3.17Å; A162-A165 WeakPolarHBondContact O-CB 3.43Å; A162-A165 PolarHBondContact O-N 2.96Å; E163-A165 PolarHBondContact O-N 2.89Å; A165-A168 PolarHBondContact O-N 3.11Å; A165-D169 PolarHBondContact O-N 3.1Å; A165-M243 HydrophobicContact CB-CE 4.2Å; A165-M243 WeakPolarHBondContact O-CE 3.39Å; A165-L247 HydrophobicContact CB-CD1 4.37Å; A165-L247 HydrophobicContact CB-CD2 4Å; A165-V531 HydrophobicContact CB-CG1 3.61Å; A165-V531 HydrophobicContact CB-CG2 4.39Å
166	E	92.9	Very high	92.7	Very high	4 Å²	4	60.4 Å²	60.4	2%	0.019	31%	0.307	C	S	.	.	H	α-helix	trans	-67.9	-39.9	178	-60.3	-175	150.5	0	0	112.2	A162 E163 D169 L170 H500 V531 F532 K534	A162-E166 WeakPolarHBondContact O-CG 3.44Å; A162-E166 PolarHBondContact O-N 2.82Å; E163-E166 PolarHBondContact O-N 3.43Å; E166-D169 PolarHBondContact O-N 3.05Å; E166-L170 WeakPolarHBondContact O-CB 3.43Å; E166-L170 PolarHBondContact O-N 2.87Å; E166-H500 IonicContact OE1-CD2 3.27Å; E166-H500 IonicContact OE1-CE1 2.84Å; E166-H500 IonicContact OE1-NE2 3.99Å; E166-H500 PolarHBondContact OE1-NE2 2.95Å; E166-H500 IonicContact OE2-CE1 3.53Å; E166-H500 IonicContact OE2-NE2 2.87Å; E166-V531 HydrophobicContact CG-CG1 3.65Å; E166-F532 VanDerWaalsContact CG-O 3.28Å; E166-F532 WeakPolarHBondContact CG-O 3.15Å; E166-F532 PolarHBondContact OE1-N 2.94Å; E166-F532 VanDerWaalsContact OE1-N 3.08Å; E166-K534 HydrophobicContact CB-CD 3.82Å; E166-K534 HydrophobicContact CB-CG 4.23Å; E166-K534 VanDerWaalsContact CB-NZ 3.32Å; E166-K534 WeakPolarHBondContact OE2-CE 3.37Å; E166-K534 IonicContact OE2-NZ 2.89Å; E166-K534 PolarHBondContact OE2-NZ 3.49Å
167	D	93.3	Very high	92.5	Very high	92 Å²	92	59.4 Å²	59.4	49%	0.492	31%	0.312	S	S	.	.	H	α-helix	trans	-70.8	-32.2	178.3	-69.5	-2.6	0	0	0	111.7	E163 L170 G171 K534	E163-D167 WeakPolarHBondContact O-CB 3.21Å; E163-D167 VanDerWaalsContact O-CG 3.29Å; E163-D167 PolarHBondContact O-N 2.9Å; D167-L170 PolarHBondContact O-N 3.19Å; D167-G171 PolarHBondContact O-N 2.92Å; D167-K534 IonicContact OD1-NZ 2.82Å; D167-K534 PolarHBondContact OD1-NZ 2.83Å
168	A	93.4	Very high	92.2	Very high	20 Å²	20	60.7 Å²	60.7	17%	0.165	32%	0.318	C	S	.	.	H	α-helix	trans	-72.9	-34.5	173.7	0	0	0	0	0	113.1	A164 A165 H172 M243 A246	A164-A168 WeakPolarHBondContact O-CB 3.32Å; A164-A168 PolarHBondContact O-N 3.33Å; A164-A168 VanDerWaalsContact O-N 3.08Å; A165-A168 PolarHBondContact O-N 3.11Å; A168-H172 WeakPolarHBondContact O-CB 3.5Å; A168-H172 PolarHBondContact O-N 2.79Å; A168-M243 HydrophobicContact CB-CE 3.57Å; A168-M243 HydrophobicContact CB-CG 4.49Å; A168-A246 HydrophobicContact CB-CB 3.89Å
169	D	91.6	Very high	91.8	Very high	14 Å²	14	69.8 Å²	69.8	8%	0.075	36%	0.361	C	S	.	.	H	α-helix	trans	-66.3	-42.3	168.9	172.8	59.6	0	0	0	111.5	A165 E166 G171 H172 M243 S533 K535 L545	A165-D169 PolarHBondContact O-N 3.1Å; E166-D169 PolarHBondContact O-N 3.05Å; D169-G171 PolarHBondContact O-N 3.08Å; D169-H172 PolarHBondContact O-N 2.87Å; D169-M243 HydrophobicContact CB-CG 4.37Å; D169-S533 VanDerWaalsContact OD2-CB 3.25Å; D169-S533 WeakPolarHBondContact OD2-CB 3.47Å; D169-S533 PolarHBondContact OD2-OG 3.05Å; D169-K535 WeakPolarHBondContact O-CE 3.41Å; D169-K535 PolarHBondContact O-NZ 3.24Å; D169-K535 IonicContact OD1-NZ 2.71Å; D169-K535 PolarHBondContact OD1-NZ 2.78Å; D169-K535 IonicContact OD2-NZ 3.2Å; D169-L545 HydrophobicContact CB-CD1 3.48Å; D169-L545 VanDerWaalsContact CB-CD1 3.48Å; D169-L545 HydrophobicContact CB-CD2 4.43Å
170	L	91.1	Very high	91.3	Very high	94 Å²	94	67.6 Å²	67.6	49%	0.492	35%	0.351	S	S	.	.	H	α-helix	trans	-57.8	-33.3	178.6	-175.6	63	0	0	0	112.5	E166 D167 K534 K535	E166-L170 WeakPolarHBondContact O-CB 3.43Å; E166-L170 PolarHBondContact O-N 2.87Å; D167-L170 PolarHBondContact O-N 3.19Å; L170-K534 HydrophobicContact CD1-CB 4.23Å; L170-K534 HydrophobicContact CD2-CB 4.48Å; L170-K535 HydrophobicContact CD1-CG 4.36Å
171	G	89.3	Confident	90.8	Very high	71 Å²	71	69.9 Å²	69.9	73%	0.732	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-6.6	174.5	0	0	0	0	0	115.9	D167 D169	D167-G171 PolarHBondContact O-N 2.92Å; D169-G171 PolarHBondContact O-N 3.08Å
172	H	90.1	Very high	90.5	Very high	29 Å²	29	70.6 Å²	70.6	13%	0.134	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-102.7	126.7	-174.3	-176	62.5	0	0	0	113	A168 D169 N239 Y242 M243 K535	A168-H172 WeakPolarHBondContact O-CB 3.5Å; A168-H172 PolarHBondContact O-N 2.79Å; D169-H172 PolarHBondContact O-N 2.87Å; H172-N239 PolarHBondContact NE2-OD1 2.92Å; H172-Y242 AromaticContact CE1-CD1 3.61Å; H172-Y242 AromaticContact ND1-CD1 3.68Å; H172-Y242 AromaticContact ND1-CE1 3.87Å; H172-M243 HydrophobicContact CB-CB 4.24Å; H172-M243 HydrophobicContact CB-CG 4.32Å; H172-K535 WeakPolarHBondContact O-CE 3.41Å; H172-K535 PolarHBondContact O-NZ 3.41Å
173	E	89.4	Confident	90.2	Very high	174 Å²	174	73.6 Å²	73.6	81%	0.813	39%	0.385	S	S	*	.	P	Polyproline II helix	trans	-100.2	134.2	171.4	-68.6	-173.5	175.3	0	0	110.8
174	Y	88.9	Confident	90	Very high	118 Å²	118	69.3 Å²	69.3	46%	0.463	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-68.7	130.4	-176.9	176.8	-99.9	0	0	0	112.4	E176 D236 N239	Y174-E176 HydrophobicContact CD1-CG 4.44Å; Y174-E176 HydrophobicContact CE1-CG 3.49Å; Y174-E176 VanDerWaalsContact CE1-CG 3.49Å; Y174-D236 WeakPolarHBondContact CE2-OD1 3.33Å; Y174-D236 PolarHBondContact OH-OD1 3.13Å; Y174-N239 HydrophobicContact CD2-CB 4.01Å; Y174-N239 HydrophobicContact CE2-CB 4.29Å
175	N	92.1	Very high	89.6	Confident	67 Å²	67	68.2 Å²	68.2	36%	0.358	36%	0.356	S	S	.	.			trans	-131.9	114.2	179	179.6	7.7	0	0	0	111.8	T177 L178 N239	N175-T177 PolarHBondContact O-N 2.84Å; N175-T177 PolarHBondContact OD1-N 3.35Å; N175-T177 PolarHBondContact OD1-OG1 3.07Å; N175-L178 HydrophobicContact CB-CB 4.33Å; N175-L178 WeakPolarHBondContact O-CB 3.19Å; N175-L178 PolarHBondContact O-N 3.28Å; N175-N239 PolarHBondContact N-OD1 3.44Å; N175-N239 PolarHBondContact O-ND2 2.96Å
176	E	88.3	Confident	89.1	Confident	145 Å²	145	70.3 Å²	70.3	68%	0.678	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-21.7	177.8	-63.7	-178.6	174.3	0	0	114.1	Y174	Y174-E176 HydrophobicContact CD1-CG 4.44Å; Y174-E176 HydrophobicContact CE1-CG 3.49Å; Y174-E176 VanDerWaalsContact CE1-CG 3.49Å
177	T	90.4	Very high	88.7	Confident	116 Å²	116	72.5 Å²	72.5	71%	0.712	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.1	16.1	-175	61.3	0	0	0	0	113.4	N175 E179	N175-T177 PolarHBondContact O-N 2.84Å; N175-T177 PolarHBondContact OD1-N 3.35Å; N175-T177 PolarHBondContact OD1-OG1 3.07Å; T177-E179 PolarHBondContact O-N 2.86Å
178	L	88.1	Confident	88.3	Confident	37 Å²	37	68.1 Å²	68.1	19%	0.194	36%	0.356	C	S	.	.			trans	-69.7	114.2	179	-176.8	65.6	0	0	0	111.6	N175 F180 L238 Y242	N175-L178 HydrophobicContact CB-CB 4.33Å; N175-L178 WeakPolarHBondContact O-CB 3.19Å; N175-L178 PolarHBondContact O-N 3.28Å; L178-F180 HydrophobicContact CG-CB 4.38Å; L178-L238 WeakPolarHBondContact O-CD1 3.26Å; L178-Y242 HydrophobicContact CD2-CD1 4.26Å; L178-Y242 HydrophobicContact CD2-CG 4.07Å
179	E	85.4	Confident	87.7	Confident	191 Å²	191	70.7 Å²	70.7	89%	0.893	37%	0.366	S	S	*	.			trans	-96	115.9	165.4	-66	-172.9	162.4	0	0	109.2	T177	T177-E179 PolarHBondContact O-N 2.86Å
180	F	85	Confident	87.2	Confident	46 Å²	46	71.9 Å²	71.9	20%	0.202	38%	0.375	C	S	.	.			trans	-138.8	124.6	179.9	-176.4	-102.3	0	0	0	111.1	L178 V241 Y242	L178-F180 HydrophobicContact CG-CB 4.38Å; F180-V241 HydrophobicContact CD1-CG1 3.87Å; F180-V241 HydrophobicContact CE1-CG1 3.81Å; F180-Y242 AromaticContact CD2-CD2 3.65Å; F180-Y242 HydrophobicContact CD2-CD2 3.65Å; F180-Y242 HydrophobicContact CD2-CE2 4.32Å; F180-Y242 AromaticContact CE2-CD2 3.67Å; F180-Y242 HydrophobicContact CE2-CD2 3.67Å; F180-Y242 HydrophobicContact CE2-CE2 4.23Å; F180-Y242 HydrophobicContact CG-CD2 4.19Å; F180-Y242 HydrophobicContact CZ-CD2 4.21Å
181	D	84.6	Confident	86.8	Confident	125 Å²	125	71.7 Å²	71.7	67%	0.668	38%	0.377	S	S	*	.			trans	-91	135.6	177	-80.5	-41.4	0	0	0	111.1	L200	D181-L200 HydrophobicContact CB-CD2 4.46Å
182	Y	88.4	Confident	86.4	Confident	14 Å²	14	71 Å²	71	6%	0.055	36%	0.356	C	S	.	.			trans	-141.7	161.2	-179.8	66.7	-90.4	0	0	0	111.8	N184 L200 I224 N232 L238 V241	Y182-N184 HydrophobicContact CE2-CB 4.27Å; Y182-N184 PolarHBondContact O-N 3.25Å; Y182-L200 HydrophobicContact CD1-CD2 3.91Å; Y182-L200 HydrophobicContact CE1-CD1 4.22Å; Y182-L200 HydrophobicContact CE1-CD2 4.08Å; Y182-L200 HydrophobicContact CG-CD2 4.29Å; Y182-L200 WeakPolarHBondContact O-CA 3.34Å; Y182-L200 WeakPolarHBondContact O-CB 3.32Å; Y182-L200 VanDerWaalsContact O-CD2 3.3Å; Y182-L200 WeakPolarHBondContact O-CD2 3.5Å; Y182-I224 HydrophobicContact CD2-CB 3.84Å; Y182-I224 HydrophobicContact CD2-CD1 3.72Å; Y182-I224 HydrophobicContact CD2-CG1 4.4Å; Y182-I224 HydrophobicContact CD2-CG2 4.18Å; Y182-I224 HydrophobicContact CE2-CB 3.98Å; Y182-I224 HydrophobicContact CE2-CD1 4.45Å; Y182-I224 HydrophobicContact CE2-CG2 3.84Å; Y182-I224 HydrophobicContact CG-CD1 4.05Å; Y182-N232 PolarHBondContact OH-O 2.98Å; Y182-L238 HydrophobicContact CD1-CD2 4.47Å; Y182-L238 HydrophobicContact CE1-CD2 4.05Å; Y182-V241 HydrophobicContact CD1-CG1 3.74Å; Y182-V241 HydrophobicContact CD2-CG1 4.44Å; Y182-V241 HydrophobicContact CE1-CG1 4.38Å; Y182-V241 HydrophobicContact CG-CG1 3.76Å
183	F	89.5	Confident	85.9	Confident	63 Å²	63	78.9 Å²	78.9	28%	0.276	39%	0.394	S	S	.	.			trans	-79.9	106.6	179.4	-64.3	-77.9	0	0	0	111.8	I188 F204 N223 I224	F183-I188 HydrophobicContact CB-CD1 4.42Å; F183-I188 HydrophobicContact CB-CG1 4.4Å; F183-F204 HydrophobicContact CB-CD2 4.27Å; F183-F204 HydrophobicContact CB-CE2 4.25Å; F183-F204 AromaticContact CD1-CD2 3.73Å; F183-F204 HydrophobicContact CD1-CD2 3.73Å; F183-F204 HydrophobicContact CD1-CE2 4.41Å; F183-F204 HydrophobicContact CD2-CD2 4.24Å; F183-F204 HydrophobicContact CD2-CE2 4.18Å; F183-F204 HydrophobicContact CE1-CD2 4.08Å; F183-F204 AromaticContact CG-CD2 3.81Å; F183-F204 HydrophobicContact CG-CD2 3.81Å; F183-F204 HydrophobicContact CG-CE2 4.02Å; F183-F204 HydrophobicContact CZ-CD2 4.49Å; F183-N223 HydrophobicContact CB-CB 4.46Å; F183-I224 PolarHBondContact O-N 3.1Å
184	N	89.4	Confident	85.4	Confident	12 Å²	12	77.7 Å²	77.7	6%	0.064	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-82.4	118.6	174.4	-175.7	-28.7	0	0	0	110.6	Y182 L186 L187 I188 L200 I224	Y182-N184 HydrophobicContact CE2-CB 4.27Å; Y182-N184 PolarHBondContact O-N 3.25Å; N184-L186 PolarHBondContact O-N 2.92Å; N184-L186 PolarHBondContact OD1-N 3.01Å; N184-L187 HydrophobicContact CB-CB 4.28Å; N184-L187 HydrophobicContact CB-CD1 4.25Å; N184-L187 HydrophobicContact CB-CG 4.28Å; N184-L187 PolarHBondContact O-N 3.31Å; N184-I188 WeakPolarHBondContact O-CG1 3.3Å; N184-I188 PolarHBondContact O-N 3.02Å; N184-L200 HydrophobicContact CB-CB 4.01Å; N184-L200 PolarHBondContact N-O 3.46Å; N184-I224 WeakPolarHBondContact CA-O 3.15Å
185	S	86.3	Confident	84.8	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-40.2	-32.9	176.3	58	0	0	0	0	116.9	N223 I224 Q225 W281	S185-N223 WeakPolarHBondContact CA-ND2 3.49Å; S185-N223 VanDerWaalsContact CB-ND2 3.29Å; S185-N223 WeakPolarHBondContact CB-ND2 3.5Å; S185-I224 WeakPolarHBondContact CB-O 3.35Å; S185-I224 PolarHBondContact N-O 3.45Å; S185-I224 PolarHBondContact OG-O 3.08Å; S185-I224 VanDerWaalsContact OG-O 3.14Å; S185-Q225 WeakPolarHBondContact OG-CA 3.46Å; S185-Q225 WeakPolarHBondContact OG-CB 3.46Å; S185-W281 PolarHBondContact O-N 2.67Å
186	L	84.2	Confident	84.2	Confident	45 Å²	45	75.4 Å²	75.4	24%	0.236	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-22.8	-178.8	-69.2	166.7	0	0	0	114.3	N184 W281 P283 V289	N184-L186 PolarHBondContact O-N 2.92Å; N184-L186 PolarHBondContact OD1-N 3.01Å; L186-W281 HydrophobicContact CD2-CB 3.75Å; L186-W281 HydrophobicContact CG-CB 4.36Å; L186-P283 HydrophobicContact CD2-CB 4.48Å; L186-V289 HydrophobicContact CD1-CB 4.46Å; L186-V289 HydrophobicContact CD1-CG2 3.88Å; L186-V289 HydrophobicContact CD2-CG2 3.54Å; L186-V289 HydrophobicContact CG-CG2 4.29Å
187	L	83.7	Confident	83.6	Confident	50 Å²	50	72 Å²	72	26%	0.262	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	-14.4	-174.6	-56.4	179.6	0	0	0	112.6	N184 N189 T190 L200 G201	N184-L187 HydrophobicContact CB-CB 4.28Å; N184-L187 HydrophobicContact CB-CD1 4.25Å; N184-L187 HydrophobicContact CB-CG 4.28Å; N184-L187 PolarHBondContact O-N 3.31Å; L187-N189 PolarHBondContact O-N 2.82Å; L187-T190 WeakPolarHBondContact O-CB 2.71Å; L187-T190 WeakPolarHBondContact O-CG2 3.43Å; L187-T190 PolarHBondContact O-N 2.99Å; L187-T190 PolarHBondContact O-OG1 2.72Å; L187-L200 HydrophobicContact CD1-CB 4.33Å; L187-G201 VanDerWaalsContact C-CA 3.43Å; L187-G201 WeakPolarHBondContact O-CA 3.35Å
188	I	84.2	Confident	83.2	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-43.7	127.9	174.6	-81.4	165.2	0	0	0	111.5	F183 N184 T190 F204 L206 N223 Q280	F183-I188 HydrophobicContact CB-CD1 4.42Å; F183-I188 HydrophobicContact CB-CG1 4.4Å; N184-I188 WeakPolarHBondContact O-CG1 3.3Å; N184-I188 PolarHBondContact O-N 3.02Å; I188-T190 PolarHBondContact O-N 2.85Å; I188-F204 HydrophobicContact CB-CB 4.45Å; I188-F204 HydrophobicContact CD1-CB 4.49Å; I188-F204 HydrophobicContact CD1-CD1 3.89Å; I188-F204 HydrophobicContact CD1-CD2 4.44Å; I188-F204 HydrophobicContact CD1-CE1 4.14Å; I188-F204 HydrophobicContact CD1-CG 4.04Å; I188-F204 HydrophobicContact CG1-CB 4.13Å; I188-F204 HydrophobicContact CG1-CD1 4.43Å; I188-F204 HydrophobicContact CG1-CG 4.19Å; I188-F204 HydrophobicContact CG2-CB 3.61Å; I188-F204 HydrophobicContact CG2-CD1 4.12Å; I188-F204 HydrophobicContact CG2-CG 4.16Å; I188-L206 HydrophobicContact CG2-CD1 4.41Å; I188-N223 HydrophobicContact CD1-CB 3.95Å; I188-Q280 HydrophobicContact CG2-CB 4.34Å; I188-Q280 HydrophobicContact CG2-CG 4.35Å; I188-Q280 PolarHBondContact O-NE2 3.33Å
189	N	82.2	Confident	82.6	Confident	73 Å²	73	71.5 Å²	71.5	39%	0.39	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.3	24.5	177.6	-59.2	-36.2	0	0	0	114.2	L187 G201 F204	L187-N189 PolarHBondContact O-N 2.82Å; N189-G201 PolarHBondContact N-O 3.49Å; N189-F204 PolarHBondContact ND2-O 2.89Å; N189-F204 PolarHBondContact OD1-N 3.02Å; N189-F204 PolarHBondContact OD1-O 2.88Å
190	T	81.4	Confident	82.4	Confident	40 Å²	40	63.1 Å²	63.1	25%	0.245	34%	0.344	C	S	.	.			trans	-95.3	140	171.2	65.3	0	0	0	0	110.9	L187 I188 I198	L187-T190 WeakPolarHBondContact O-CB 2.71Å; L187-T190 WeakPolarHBondContact O-CG2 3.43Å; L187-T190 PolarHBondContact O-N 2.99Å; L187-T190 PolarHBondContact O-OG1 2.72Å; I188-T190 PolarHBondContact O-N 2.85Å; T190-I198 PolarHBondContact O-N 2.92Å; T190-I198 VanDerWaalsContact O-N 3.13Å
191	V	81.1	Confident	81.7	Confident	90 Å²	90	61 Å²	61	55%	0.545	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-117.6	151.6	178.9	-65.3	0	0	0	0	110.7	N196	V191-N196 CarbonylContact C-O 3.56Å; V191-N196 WeakPolarHBondContact CA-O 3.46Å; V191-N196 WeakPolarHBondContact CB-O 3.45Å
192	D	80.9	Confident	81.4	Confident	55 Å²	55	56.3 Å²	56.3	29%	0.294	32%	0.316	S	S	.	.			trans	-71.8	-179.1	171.8	64.8	16.2	0	0	0	112.2	E194 G195 N196	D192-E194 PolarHBondContact O-N 3.26Å; D192-E194 VanDerWaalsContact OD1-C 3.29Å; D192-E194 WeakPolarHBondContact OD1-CA 3.39Å; D192-E194 WeakPolarHBondContact OD1-CB 3.23Å; D192-E194 PolarHBondContact OD1-N 3.38Å; D192-E194 VanDerWaalsContact OD1-N 3.09Å; D192-G195 PolarHBondContact O-N 3.31Å; D192-G195 PolarHBondContact OD1-N 3.4Å; D192-N196 PolarHBondContact N-O 1.93Å; D192-N196 PolarHBondContact OD1-N 3.49Å; D192-N196 PolarHBondContact OD1-ND2 3.46Å; D192-N196 WeakPolarHBondContact OD2-CB 3.38Å; D192-N196 PolarHBondContact OD2-ND2 2.86Å
193	E	80.3	Confident	80.9	Confident	196 Å²	196	63.9 Å²	63.9	92%	0.916	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-20	179.5	-62.1	-166.9	171.3	0	0	112.1
194	E	78.7	Confident	80.6	Confident	148 Å²	148	61.2 Å²	61.2	69%	0.692	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-13.2	178.7	-65.1	73.8	-165	0	0	113.7	D192	D192-E194 PolarHBondContact O-N 3.26Å; D192-E194 VanDerWaalsContact OD1-C 3.29Å; D192-E194 WeakPolarHBondContact OD1-CA 3.39Å; D192-E194 WeakPolarHBondContact OD1-CB 3.23Å; D192-E194 PolarHBondContact OD1-N 3.38Å; D192-E194 VanDerWaalsContact OD1-N 3.09Å
195	G	77	Confident	80.4	Confident	49 Å²	49	66.1 Å²	66.1	51%	0.505	37%	0.366	S	S	.	.	S	Bend	trans	93.6	9.6	178.8	0	0	0	0	0	116.1	D192	D192-G195 PolarHBondContact O-N 3.31Å; D192-G195 PolarHBondContact OD1-N 3.4Å
196	N	79.6	Confident	80.3	Confident	88 Å²	88	68.3 Å²	68.3	47%	0.471	38%	0.378	S	S	.	.	P	Polyproline II helix	trans	-86.7	152.2	174	-40	-78.6	0	0	0	111.2	V191 D192 I198	V191-N196 CarbonylContact C-O 3.56Å; V191-N196 WeakPolarHBondContact CA-O 3.46Å; V191-N196 WeakPolarHBondContact CB-O 3.45Å; D192-N196 PolarHBondContact N-O 1.93Å; D192-N196 PolarHBondContact OD1-N 3.49Å; D192-N196 PolarHBondContact OD1-ND2 3.46Å; D192-N196 WeakPolarHBondContact OD2-CB 3.38Å; D192-N196 PolarHBondContact OD2-ND2 2.86Å; N196-I198 PolarHBondContact O-N 3.42Å
197	P	75.4	Confident	80.3	Confident	73 Å²	73	72.6 Å²	72.6	47%	0.474	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-62.9	134.6	172.2	-20.5	33	0	0	0	112.2
198	I	80.9	Confident	80.1	Confident	57 Å²	57	78.5 Å²	78.5	29%	0.292	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-66.8	144.3	174.6	-62.1	-174.4	0	0	0	109.5	T190 N196 L200 G201	T190-I198 PolarHBondContact O-N 2.92Å; T190-I198 VanDerWaalsContact O-N 3.13Å; N196-I198 PolarHBondContact O-N 3.42Å; I198-L200 PolarHBondContact O-N 2.75Å; I198-G201 VanDerWaalsContact O-CA 3.27Å; I198-G201 WeakPolarHBondContact O-CA 3.49Å; I198-G201 PolarHBondContact O-N 2.89Å
199	P	76.4	Confident	79.6	Confident	86 Å²	86	79.1 Å²	79.1	56%	0.558	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	137.4	174.6	-27.7	35.4	0	0	0	112.5	G201	P199-G201 PolarHBondContact O-N 3.09Å
200	L	80.4	Confident	79	Confident	16 Å²	16	79.8 Å²	79.8	8%	0.084	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.1	5.2	-169.9	-49.3	170.7	0	0	0	115.5	D181 Y182 N184 L187 I198 N232	D181-L200 HydrophobicContact CB-CD2 4.46Å; Y182-L200 HydrophobicContact CD1-CD2 3.91Å; Y182-L200 HydrophobicContact CE1-CD1 4.22Å; Y182-L200 HydrophobicContact CE1-CD2 4.08Å; Y182-L200 HydrophobicContact CG-CD2 4.29Å; Y182-L200 WeakPolarHBondContact O-CA 3.34Å; Y182-L200 WeakPolarHBondContact O-CB 3.32Å; Y182-L200 VanDerWaalsContact O-CD2 3.3Å; Y182-L200 WeakPolarHBondContact O-CD2 3.5Å; N184-L200 HydrophobicContact CB-CB 4.01Å; N184-L200 PolarHBondContact N-O 3.46Å; L187-L200 HydrophobicContact CD1-CB 4.33Å; I198-L200 PolarHBondContact O-N 2.75Å; L200-N232 WeakPolarHBondContact CD1-ND2 3.16Å
201	G	71.2	Confident	78.7	Confident	1 Å²	1	79 Å²	79	1%	0.01	42%	0.418	C	S	.	.			trans	-112.1	16.4	-176.5	0	0	0	0	0	115.7	L187 N189 I198 P199	L187-G201 VanDerWaalsContact C-CA 3.43Å; L187-G201 WeakPolarHBondContact O-CA 3.35Å; N189-G201 PolarHBondContact N-O 3.49Å; I198-G201 VanDerWaalsContact O-CA 3.27Å; I198-G201 WeakPolarHBondContact O-CA 3.49Å; I198-G201 PolarHBondContact O-N 2.89Å; P199-G201 PolarHBondContact O-N 3.09Å
202	G	77.4	Confident	78.4	Confident	26 Å²	26	75.1 Å²	75.1	27%	0.268	39%	0.393	S	S	.	.			trans	-55.2	168.9	-174.3	0	0	0	0	0	115.6	F204	G202-F204 PolarHBondContact O-N 2.94Å; G202-F204 VanDerWaalsContact O-N 3.16Å
203	E	77.9	Confident	77.8	Confident	173 Å²	173	75.2 Å²	75.2	81%	0.808	39%	0.394	S	S	*	.			trans	-57.2	117.7	-173.7	-65.7	-170	170.6	0	0	112.3
204	F	83.4	Confident	77.5	Confident	7 Å²	7	71.7 Å²	71.7	3%	0.031	38%	0.375	C	S	.	.			trans	-125.3	113.2	-177.5	-160.1	-104.3	0	0	0	109.6	F183 I188 N189 G202 L206 Q221 N223	F183-F204 HydrophobicContact CB-CD2 4.27Å; F183-F204 HydrophobicContact CB-CE2 4.25Å; F183-F204 AromaticContact CD1-CD2 3.73Å; F183-F204 HydrophobicContact CD1-CD2 3.73Å; F183-F204 HydrophobicContact CD1-CE2 4.41Å; F183-F204 HydrophobicContact CD2-CD2 4.24Å; F183-F204 HydrophobicContact CD2-CE2 4.18Å; F183-F204 HydrophobicContact CE1-CD2 4.08Å; F183-F204 AromaticContact CG-CD2 3.81Å; F183-F204 HydrophobicContact CG-CD2 3.81Å; F183-F204 HydrophobicContact CG-CE2 4.02Å; F183-F204 HydrophobicContact CZ-CD2 4.49Å; I188-F204 HydrophobicContact CB-CB 4.45Å; I188-F204 HydrophobicContact CD1-CB 4.49Å; I188-F204 HydrophobicContact CD1-CD1 3.89Å; I188-F204 HydrophobicContact CD1-CD2 4.44Å; I188-F204 HydrophobicContact CD1-CE1 4.14Å; I188-F204 HydrophobicContact CD1-CG 4.04Å; I188-F204 HydrophobicContact CG1-CB 4.13Å; I188-F204 HydrophobicContact CG1-CD1 4.43Å; I188-F204 HydrophobicContact CG1-CG 4.19Å; I188-F204 HydrophobicContact CG2-CB 3.61Å; I188-F204 HydrophobicContact CG2-CD1 4.12Å; I188-F204 HydrophobicContact CG2-CG 4.16Å; N189-F204 PolarHBondContact ND2-O 2.89Å; N189-F204 PolarHBondContact OD1-N 3.02Å; N189-F204 PolarHBondContact OD1-O 2.88Å; G202-F204 PolarHBondContact O-N 2.94Å; G202-F204 VanDerWaalsContact O-N 3.16Å; F204-L206 HydrophobicContact CD1-CD2 3.76Å; F204-L206 HydrophobicContact CD1-CG 4.15Å; F204-L206 HydrophobicContact CE1-CD2 4Å; F204-L206 PolarHBondContact O-N 2.89Å; F204-Q221 HydrophobicContact CE2-CB 4.02Å; F204-Q221 HydrophobicContact CZ-CB 4.37Å; F204-N223 HydrophobicContact CZ-CB 4.29Å
205	L	84.8	Confident	77.4	Confident	115 Å²	115	65.4 Å²	65.4	60%	0.602	35%	0.347	S	S	*	.			trans	-71.9	115.8	-176.1	-63.8	177.7	0	0	0	110.8	S218	L205-S218 WeakPolarHBondContact O-CB 3.37Å; L205-S218 PolarHBondContact O-OG 2.95Å
206	L	85	Confident	77.7	Confident	47 Å²	47	65.6 Å²	65.6	25%	0.246	34%	0.339	C	S	.	.			trans	-115.2	120.2	-179.2	-67.6	171.4	0	0	0	111.2	I188 F204 P216 Q280	I188-L206 HydrophobicContact CG2-CD1 4.41Å; F204-L206 HydrophobicContact CD1-CD2 3.76Å; F204-L206 HydrophobicContact CD1-CG 4.15Å; F204-L206 HydrophobicContact CE1-CD2 4Å; F204-L206 PolarHBondContact O-N 2.89Å; L206-P216 HydrophobicContact CB-CB 4.01Å; L206-Q280 HydrophobicContact CD1-CB 3.98Å
207	E	83.8	Confident	78	Confident	135 Å²	135	61.5 Å²	61.5	63%	0.631	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	143.1	178.2	-64.2	-168	174	0	0	111.6	N209 P216 V217	E207-N209 PolarHBondContact O-N 2.91Å; E207-P216 WeakPolarHBondContact O-CA 3.38Å; E207-V217 PolarHBondContact N-O 3.08Å; E207-V217 PolarHBondContact O-N 3.4Å
208	K	80.1	Confident	78.6	Confident	173 Å²	173	58.3 Å²	58.3	75%	0.752	30%	0.297	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.6	115.7	177.6	-69.6	-173.2	178.6	-177.9	0	110.8	L215	K208-L215 WeakPolarHBondContact CA-O 3.34Å
209	N	72.8	Confident	78.9	Confident	13 Å²	13	58.1 Å²	58.1	7%	0.07	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.7	-174.4	-171.8	-8.2	0	0	0	112.1	E207 H211 F212 K214 L215 V217 R714	E207-N209 PolarHBondContact O-N 2.91Å; N209-H211 VanDerWaalsContact C-N 3.34Å; N209-H211 PolarHBondContact O-N 2.93Å; N209-H211 PolarHBondContact OD1-N 3.49Å; N209-F212 HydrophobicContact CB-CD2 4.06Å; N209-F212 WeakPolarHBondContact ND2-CD2 3.4Å; N209-F212 CarbonylContact O-C 3.56Å; N209-F212 PolarHBondContact O-N 3.2Å; N209-K214 WeakPolarHBondContact O-CA 3.26Å; N209-K214 PolarHBondContact O-N 3.22Å; N209-L215 PolarHBondContact N-O 2.98Å; N209-L215 VanDerWaalsContact N-O 3.17Å; N209-V217 HydrophobicContact CB-CG2 3.8Å; N209-R714 PolarHBondContact ND2-NH1 2.96Å; N209-R714 PolarHBondContact OD1-NH1 2.97Å
210	E	70.5	Confident	79.3	Confident	88 Å²	88	59.8 Å²	59.8	41%	0.411	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-36.8	-179	-63	-113.3	154.8	0	0	112.7	F212 N213 K214 R714	E210-F212 VanDerWaalsContact C-N 3.25Å; E210-F212 PolarHBondContact O-N 3.2Å; E210-N213 WeakPolarHBondContact O-CA 3.13Å; E210-N213 PolarHBondContact O-N 3.02Å; E210-K214 VanDerWaalsContact CD-NZ 3.33Å; E210-K214 WeakPolarHBondContact OE1-CE 3.43Å; E210-K214 IonicContact OE1-NZ 2.83Å; E210-K214 PolarHBondContact OE1-NZ 3.01Å; E210-K214 WeakPolarHBondContact OE2-CE 3.02Å; E210-K214 IonicContact OE2-NZ 2.73Å; E210-K214 PolarHBondContact OE2-NZ 2.96Å; E210-R714 HydrophobicContact CB-CB 4.42Å; E210-R714 HydrophobicContact CG-CB 4.32Å
211	H	74.6	Confident	79.7	Confident	24 Å²	24	63 Å²	63	11%	0.111	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-39.6	176.4	-176.9	62.1	0	0	0	112	N209 N213 L261	N209-H211 VanDerWaalsContact C-N 3.34Å; N209-H211 PolarHBondContact O-N 2.93Å; N209-H211 PolarHBondContact OD1-N 3.49Å; H211-N213 VanDerWaalsContact C-N 3.27Å; H211-N213 PolarHBondContact O-N 3.11Å; H211-L261 PolarHBondContact NE2-O 3.05Å
212	F	75.2	Confident	80.7	Confident	8 Å²	8	63.2 Å²	63.2	4%	0.035	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	36.7	174.6	-60.9	-82.8	0	0	0	111.9	N209 E210 K214 L215 V217 T262 W263 P277	N209-F212 HydrophobicContact CB-CD2 4.06Å; N209-F212 WeakPolarHBondContact ND2-CD2 3.4Å; N209-F212 CarbonylContact O-C 3.56Å; N209-F212 PolarHBondContact O-N 3.2Å; E210-F212 VanDerWaalsContact C-N 3.25Å; E210-F212 PolarHBondContact O-N 3.2Å; F212-K214 PolarHBondContact O-N 3.01Å; F212-K214 VanDerWaalsContact O-N 3.1Å; F212-L215 HydrophobicContact CB-CB 4.33Å; F212-L215 WeakPolarHBondContact O-CB 3.26Å; F212-L215 WeakPolarHBondContact O-CD1 3.28Å; F212-L215 WeakPolarHBondContact O-CG 3.31Å; F212-L215 PolarHBondContact O-N 3.49Å; F212-V217 HydrophobicContact CB-CG1 3.89Å; F212-V217 HydrophobicContact CD2-CG1 4.16Å; F212-V217 HydrophobicContact CD2-CG2 3.97Å; F212-V217 HydrophobicContact CE2-CG2 4.42Å; F212-V217 HydrophobicContact CG-CG1 3.96Å; F212-T262 WeakPolarHBondContact CE1-O 3.31Å; F212-T262 VanDerWaalsContact CZ-O 3.28Å; F212-T262 WeakPolarHBondContact CZ-O 3.39Å; F212-W263 HydrophobicContact CD1-CD2 4.44Å; F212-W263 HydrophobicContact CD1-CE3 4.36Å; F212-W263 AromaticContact CD1-CH2 3.52Å; F212-W263 HydrophobicContact CD1-CH2 3.52Å; F212-W263 AromaticContact CD1-CZ2 3.62Å; F212-W263 HydrophobicContact CD1-CZ2 3.62Å; F212-W263 AromaticContact CD1-CZ3 3.93Å; F212-W263 HydrophobicContact CD1-CZ3 3.93Å; F212-W263 HydrophobicContact CE1-CD2 4.12Å; F212-W263 AromaticContact CE1-CE3 3.92Å; F212-W263 HydrophobicContact CE1-CE3 3.92Å; F212-W263 AromaticContact CE1-CH2 3.91Å; F212-W263 HydrophobicContact CE1-CH2 3.91Å; F212-W263 HydrophobicContact CE1-CZ2 4.12Å; F212-W263 AromaticContact CE1-CZ3 3.82Å; F212-W263 HydrophobicContact CE1-CZ3 3.82Å; F212-W263 HydrophobicContact CG-CH2 4.31Å; F212-P277 HydrophobicContact CD2-CG 4.47Å; F212-P277 HydrophobicContact CE1-CG 3.89Å; F212-P277 HydrophobicContact CE2-CG 3.7Å; F212-P277 HydrophobicContact CZ-CG 3.37Å
213	N	69.2	Low	81.4	Confident	57 Å²	57	62.1 Å²	62.1	31%	0.305	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	35.4	178.2	-70.3	-47.3	0	0	0	114.8	E210 H211 L215 S520 L522	E210-N213 WeakPolarHBondContact O-CA 3.13Å; E210-N213 PolarHBondContact O-N 3.02Å; H211-N213 VanDerWaalsContact C-N 3.27Å; H211-N213 PolarHBondContact O-N 3.11Å; N213-L215 VanDerWaalsContact C-N 3.26Å; N213-L215 PolarHBondContact O-N 3Å; N213-S520 WeakPolarHBondContact ND2-CA 3.36Å; N213-S520 PolarHBondContact ND2-O 3.25Å; N213-L522 VanDerWaalsContact ND2-CD1 3.28Å; N213-L522 WeakPolarHBondContact ND2-CD1 3.42Å
214	K	72.4	Confident	82.1	Confident	121 Å²	121	54 Å²	54	53%	0.526	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.1	19.3	-178.7	-47.9	-176.4	-172.4	-148.7	0	114.4	N209 E210 F212	N209-K214 WeakPolarHBondContact O-CA 3.26Å; N209-K214 PolarHBondContact O-N 3.22Å; E210-K214 VanDerWaalsContact CD-NZ 3.33Å; E210-K214 WeakPolarHBondContact OE1-CE 3.43Å; E210-K214 IonicContact OE1-NZ 2.83Å; E210-K214 PolarHBondContact OE1-NZ 3.01Å; E210-K214 WeakPolarHBondContact OE2-CE 3.02Å; E210-K214 IonicContact OE2-NZ 2.73Å; E210-K214 PolarHBondContact OE2-NZ 2.96Å; F212-K214 PolarHBondContact O-N 3.01Å; F212-K214 VanDerWaalsContact O-N 3.1Å
215	L	77.1	Confident	82.4	Confident	17 Å²	17	53.7 Å²	53.7	9%	0.089	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	146.5	169.6	-67.2	169.2	0	0	0	111.1	K208 N209 F212 N213 V217 L513 T516	K208-L215 WeakPolarHBondContact CA-O 3.34Å; N209-L215 PolarHBondContact N-O 2.98Å; N209-L215 VanDerWaalsContact N-O 3.17Å; F212-L215 HydrophobicContact CB-CB 4.33Å; F212-L215 WeakPolarHBondContact O-CB 3.26Å; F212-L215 WeakPolarHBondContact O-CD1 3.28Å; F212-L215 WeakPolarHBondContact O-CG 3.31Å; F212-L215 PolarHBondContact O-N 3.49Å; N213-L215 VanDerWaalsContact C-N 3.26Å; N213-L215 PolarHBondContact O-N 3Å; L215-V217 HydrophobicContact CB-CG1 4.2Å; L215-V217 PolarHBondContact O-N 2.91Å; L215-L513 HydrophobicContact CD1-CD2 3.74Å; L215-T516 HydrophobicContact CD2-CG2 4.34Å; L215-T516 WeakPolarHBondContact CD2-OG1 3.48Å
216	P	83.6	Confident	82.6	Confident	53 Å²	53	48.7 Å²	48.7	34%	0.344	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	113	170.1	30.6	-31.5	0	0	0	109.6	L206 E207	L206-P216 HydrophobicContact CB-CB 4.01Å; E207-P216 WeakPolarHBondContact O-CA 3.38Å
217	V	86.4	Confident	82.6	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.012	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.3	-178.4	-50.1	0	0	0	0	110.7	E207 N209 F212 L215 T219 W263 P277 G278 I279	E207-V217 PolarHBondContact N-O 3.08Å; E207-V217 PolarHBondContact O-N 3.4Å; N209-V217 HydrophobicContact CB-CG2 3.8Å; F212-V217 HydrophobicContact CB-CG1 3.89Å; F212-V217 HydrophobicContact CD2-CG1 4.16Å; F212-V217 HydrophobicContact CD2-CG2 3.97Å; F212-V217 HydrophobicContact CE2-CG2 4.42Å; F212-V217 HydrophobicContact CG-CG1 3.96Å; L215-V217 HydrophobicContact CB-CG1 4.2Å; L215-V217 PolarHBondContact O-N 2.91Å; V217-T219 HydrophobicContact CG2-CG2 4.49Å; V217-W263 HydrophobicContact CG1-CH2 4.21Å; V217-P277 HydrophobicContact CB-CB 4.33Å; V217-P277 HydrophobicContact CB-CG 4.26Å; V217-P277 HydrophobicContact CG2-CG 4.44Å; V217-G278 CarbonylContact C-O 3.54Å; V217-I279 HydrophobicContact CB-CG2 4.11Å; V217-I279 HydrophobicContact CG1-CG2 3.71Å
218	S	88.4	Confident	82.5	Confident	6 Å²	6	44.2 Å²	44.2	4%	0.042	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.9	170	-160.6	0	0	0	0	110.7	L205 Q220 P277 G278	L205-S218 WeakPolarHBondContact O-CB 3.37Å; L205-S218 PolarHBondContact O-OG 2.95Å; S218-Q220 PolarHBondContact O-N 2.98Å; S218-P277 WeakPolarHBondContact O-CA 3.5Å; S218-P277 WeakPolarHBondContact O-CB 3.32Å; S218-G278 PolarHBondContact N-O 2.99Å; S218-G278 PolarHBondContact O-N 2.91Å; S218-G278 VanDerWaalsContact O-N 3.13Å
219	T	85.4	Confident	82.5	Confident	52 Å²	52	40.4 Å²	40.4	32%	0.319	21%	0.209	S	C	.	.	S	Bend	trans	-81.3	-3.7	175.7	50.2	0	0	0	0	113.3	V217 F255 Y276	V217-T219 HydrophobicContact CG2-CG2 4.49Å; T219-F255 HydrophobicContact CG2-CE1 4.42Å; T219-Y276 PolarHBondContact O-OH 2.89Å
220	Q	86.8	Confident	83	Confident	121 Å²	121	41.3 Å²	41.3	57%	0.565	22%	0.215	S	C	*	.	S	Bend	trans	-89.6	-31.9	-177	-62.7	-176.2	9.6	0	0	113.1	S218	S218-Q220 PolarHBondContact O-N 2.98Å
221	Q	87.8	Confident	83.7	Confident	85 Å²	85	44.1 Å²	44.1	40%	0.397	22%	0.223	S	C	.	.			trans	-146.2	155.4	-174.8	-68.7	-174.2	-11.9	0	0	112	F204 G278	F204-Q221 HydrophobicContact CE2-CB 4.02Å; F204-Q221 HydrophobicContact CZ-CB 4.37Å; Q221-G278 PolarHBondContact O-N 3.48Å
222	S	92.4	Very high	84.2	Confident	5 Å²	5	44.9 Å²	44.9	4%	0.035	23%	0.228	C	C	.	.			trans	-80.4	164.9	167.3	68.2	0	0	0	0	111.2	N248 R274 L275	S222-N248 WeakPolarHBondContact CB-OD1 3.24Å; S222-N248 PolarHBondContact OG-OD1 3.49Å; S222-R274 PolarHBondContact OG-NE 3.11Å; S222-L275 CarbonylContact C-O 3.58Å; S222-L275 VanDerWaalsContact CA-O 3.24Å; S222-L275 WeakPolarHBondContact CA-O 3.36Å; S222-L275 WeakPolarHBondContact CB-O 3.35Å
223	N	91.8	Very high	84.7	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.011	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	168.8	168.5	74.5	-33	0	0	0	111.6	F183 S185 I188 F204 R274 L275 G278 I279	F183-N223 HydrophobicContact CB-CB 4.46Å; S185-N223 WeakPolarHBondContact CA-ND2 3.49Å; S185-N223 VanDerWaalsContact CB-ND2 3.29Å; S185-N223 WeakPolarHBondContact CB-ND2 3.5Å; I188-N223 HydrophobicContact CD1-CB 3.95Å; F204-N223 HydrophobicContact CZ-CB 4.29Å; N223-R274 WeakPolarHBondContact O-CA 3.48Å; N223-L275 PolarHBondContact N-O 3.05Å; N223-L275 PolarHBondContact O-N 3.34Å; N223-L275 PolarHBondContact OD1-O 3.47Å; N223-G278 WeakPolarHBondContact OD1-CA 3.49Å; N223-I279 PolarHBondContact ND2-N 2.6Å; N223-I279 PolarHBondContact ND2-O 2.99Å; N223-I279 PolarHBondContact OD1-N 3.34Å
224	I	92.5	Very high	85.6	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.015	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	135.5	-176.5	-67.4	150.5	0	0	0	110.8	Y182 F183 N184 S185 V226 V241 F272 F273 R274	Y182-I224 HydrophobicContact CD2-CB 3.84Å; Y182-I224 HydrophobicContact CD2-CD1 3.72Å; Y182-I224 HydrophobicContact CD2-CG1 4.4Å; Y182-I224 HydrophobicContact CD2-CG2 4.18Å; Y182-I224 HydrophobicContact CE2-CB 3.98Å; Y182-I224 HydrophobicContact CE2-CD1 4.45Å; Y182-I224 HydrophobicContact CE2-CG2 3.84Å; Y182-I224 HydrophobicContact CG-CD1 4.05Å; F183-I224 PolarHBondContact O-N 3.1Å; N184-I224 WeakPolarHBondContact CA-O 3.15Å; S185-I224 WeakPolarHBondContact CB-O 3.35Å; S185-I224 PolarHBondContact N-O 3.45Å; S185-I224 PolarHBondContact OG-O 3.08Å; S185-I224 VanDerWaalsContact OG-O 3.14Å; I224-V226 HydrophobicContact CG2-CG2 4.17Å; I224-V241 HydrophobicContact CD1-CB 4.26Å; I224-V241 HydrophobicContact CD1-CG1 3.5Å; I224-V241 VanDerWaalsContact CD1-CG1 3.5Å; I224-V241 HydrophobicContact CD1-CG2 3.92Å; I224-V241 HydrophobicContact CG2-CG2 4.32Å; I224-F272 HydrophobicContact CG2-CB 4.19Å; I224-F272 HydrophobicContact CG2-CD2 4.07Å; I224-F273 CarbonylContact C-O 3.57Å; I224-F273 WeakPolarHBondContact CA-O 3.5Å; I224-R274 HydrophobicContact CG1-CB 4.14Å; I224-R274 HydrophobicContact CG1-CG 3.98Å
225	Q	90.6	Very high	86.5	Confident	1 Å²	1	47.3 Å²	47.3	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	136.9	168.4	-178.5	-93.8	-20.1	0	0	109.4	S185 F272 F273 W281 F291	S185-Q225 WeakPolarHBondContact OG-CA 3.46Å; S185-Q225 WeakPolarHBondContact OG-CB 3.46Å; Q225-F272 WeakPolarHBondContact O-CA 3.42Å; Q225-F273 HydrophobicContact CB-CB 4.42Å; Q225-F273 HydrophobicContact CB-CD1 4.46Å; Q225-F273 PolarHBondContact N-O 3.43Å; Q225-F273 PolarHBondContact O-N 3.19Å; Q225-W281 HydrophobicContact CB-CH2 4.21Å; Q225-W281 HydrophobicContact CB-CZ2 4.1Å; Q225-W281 HydrophobicContact CG-CD2 4.29Å; Q225-W281 HydrophobicContact CG-CE3 3.99Å; Q225-W281 HydrophobicContact CG-CH2 3.82Å; Q225-W281 HydrophobicContact CG-CZ2 4.16Å; Q225-W281 HydrophobicContact CG-CZ3 3.75Å; Q225-F291 PolarHBondContact NE2-O 3.29Å; Q225-F291 VanDerWaalsContact OE1-CD1 3.24Å
226	V	89.3	Confident	87	Confident	9 Å²	9	50.7 Å²	50.7	6%	0.055	26%	0.258	C	S	.	.			trans	-120.5	132	173.3	-177.1	0	0	0	0	107.4	I224 V230 F272	I224-V226 HydrophobicContact CG2-CG2 4.17Å; V226-V230 HydrophobicContact CG1-CB 3.96Å; V226-V230 HydrophobicContact CG1-CG1 3.93Å; V226-F272 HydrophobicContact CG2-CB 4.17Å
227	P	85.1	Confident	87.3	Confident	4 Å²	4	48.4 Å²	48.4	3%	0.026	24%	0.243	C	C	.	.			trans	-58	145.4	175.3	-26.8	36.2	0	0	0	112.5	N229 V230 G271 D292	P227-N229 VanDerWaalsContact CB-OD1 3.23Å; P227-N229 WeakPolarHBondContact CB-OD1 3.49Å; P227-N229 PolarHBondContact O-N 2.8Å; P227-N229 VanDerWaalsContact O-N 3.12Å; P227-V230 HydrophobicContact CB-CB 4.49Å; P227-V230 HydrophobicContact CB-CG2 4.13Å; P227-V230 HydrophobicContact CG-CG2 4.44Å; P227-V230 PolarHBondContact O-N 2.86Å; P227-G271 VanDerWaalsContact CD-O 3.23Å; P227-G271 WeakPolarHBondContact CD-O 3.22Å; P227-G271 WeakPolarHBondContact CG-O 3.28Å; P227-D292 HydrophobicContact CG-CB 4.44Å
228	T	81.3	Confident	87.6	Confident	84 Å²	84	49.1 Å²	49.1	52%	0.515	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.2	-174.2	-50.5	0	0	0	0	114	V288 V289	T228-V288 HydrophobicContact CG2-CG1 4.49Å; T228-V289 PolarHBondContact OG1-O 3.04Å
229	N	79.3	Confident	87.8	Confident	94 Å²	94	49.1 Å²	49.1	50%	0.503	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.7	175.7	64.4	-54.5	0	0	0	114	P227 E481	P227-N229 VanDerWaalsContact CB-OD1 3.23Å; P227-N229 WeakPolarHBondContact CB-OD1 3.49Å; P227-N229 PolarHBondContact O-N 2.8Å; P227-N229 VanDerWaalsContact O-N 3.12Å; N229-E481 PolarHBondContact ND2-OE1 3.18Å
230	V	82.9	Confident	88.1	Confident	32 Å²	32	47.5 Å²	47.5	19%	0.194	24%	0.239	C	C	.	.	S	Bend	trans	-112	136.9	-173.5	177.8	0	0	0	0	110	V226 P227 N232 I237	V226-V230 HydrophobicContact CG1-CB 3.96Å; V226-V230 HydrophobicContact CG1-CG1 3.93Å; P227-V230 HydrophobicContact CB-CB 4.49Å; P227-V230 HydrophobicContact CB-CG2 4.13Å; P227-V230 HydrophobicContact CG-CG2 4.44Å; P227-V230 PolarHBondContact O-N 2.86Å; V230-N232 PolarHBondContact O-N 3.42Å; V230-I237 HydrophobicContact CG1-CD1 3.18Å
231	Y	85.2	Confident	88.4	Confident	146 Å²	146	41.7 Å²	41.7	57%	0.573	21%	0.212	S	C	*	.			trans	-80.9	119.8	-176.6	-176.7	-122.1	0	0	0	111.8	R233 D234 I237	Y231-R233 HydrophobicContact CD1-CB 4.3Å; Y231-R233 HydrophobicContact CE1-CB 3.61Å; Y231-R233 PolarHBondContact O-N 3.49Å; Y231-R233 VanDerWaalsContact O-N 3.08Å; Y231-D234 WeakPolarHBondContact O-CB 3.44Å; Y231-D234 PolarHBondContact O-N 2.95Å; Y231-D234 VanDerWaalsContact O-N 3.09Å; Y231-I237 WeakPolarHBondContact O-CD1 3.46Å
232	N	84.7	Confident	88.6	Confident	41 Å²	41	42.7 Å²	42.7	22%	0.219	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-8.7	-170.8	69.6	-40.9	0	0	0	116.3	Y182 L200 V230	Y182-N232 PolarHBondContact OH-O 2.98Å; L200-N232 WeakPolarHBondContact CD1-ND2 3.16Å; V230-N232 PolarHBondContact O-N 3.42Å
233	R	85.8	Confident	88.6	Confident	128 Å²	128	43.2 Å²	43.2	48%	0.483	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	23.1	174.4	-59.8	179.9	169.6	-169.5	-7	112.5	Y231 L238	Y231-R233 HydrophobicContact CD1-CB 4.3Å; Y231-R233 HydrophobicContact CE1-CB 3.61Å; Y231-R233 PolarHBondContact O-N 3.49Å; Y231-R233 VanDerWaalsContact O-N 3.08Å; R233-L238 HydrophobicContact CB-CD1 4.39Å
234	D	88.9	Confident	88.7	Confident	60 Å²	60	43.1 Å²	43.1	32%	0.321	22%	0.215	S	C	.	.			trans	-62	131.1	169.2	-163.5	-57.8	0	0	0	109.7	Y231 D236 I237 L238	Y231-D234 WeakPolarHBondContact O-CB 3.44Å; Y231-D234 PolarHBondContact O-N 2.95Å; Y231-D234 VanDerWaalsContact O-N 3.09Å; D234-D236 PolarHBondContact O-N 3.17Å; D234-D236 PolarHBondContact OD1-N 3.38Å; D234-D236 VanDerWaalsContact OD1-N 3.07Å; D234-I237 HydrophobicContact CB-CB 4.35Å; D234-I237 HydrophobicContact CB-CD1 3.98Å; D234-I237 HydrophobicContact CB-CG1 4.19Å; D234-I237 PolarHBondContact O-N 3.42Å; D234-L238 PolarHBondContact O-N 3.49Å
235	P	90.5	Very high	88.8	Confident	49 Å²	49	47 Å²	47	32%	0.318	23%	0.233	S	C	.	.	H	α-helix	trans	-51.7	-37.5	177.7	-29.2	36.6	0	0	0	114.2	I237 L238 N239	P235-I237 VanDerWaalsContact C-N 3.27Å; P235-I237 PolarHBondContact O-N 3.32Å; P235-L238 PolarHBondContact O-N 2.9Å; P235-N239 WeakPolarHBondContact O-CB 3.38Å; P235-N239 PolarHBondContact O-N 2.87Å; P235-N239 PolarHBondContact O-ND2 3.03Å
236	D	88.6	Confident	88.9	Confident	88 Å²	88	49.4 Å²	49.4	47%	0.471	25%	0.253	S	S	.	.	H	α-helix	trans	-64.5	-35.2	179.3	-74.3	-30.9	0	0	0	111.7	Y174 D234 G240 T270	Y174-D236 WeakPolarHBondContact CE2-OD1 3.33Å; Y174-D236 PolarHBondContact OH-OD1 3.13Å; D234-D236 PolarHBondContact O-N 3.17Å; D234-D236 PolarHBondContact OD1-N 3.38Å; D234-D236 VanDerWaalsContact OD1-N 3.07Å; D236-G240 PolarHBondContact O-N 3.32Å; D236-T270 HydrophobicContact CB-CG2 4.29Å
237	I	90.7	Very high	89.2	Confident	4 Å²	4	49 Å²	49	2%	0.021	25%	0.25	C	S	.	.	H	α-helix	trans	-76.9	-43.8	177.5	-64.8	172.1	0	0	0	110.6	V230 Y231 D234 P235 N239 G240 V241 F272	V230-I237 HydrophobicContact CG1-CD1 3.18Å; Y231-I237 WeakPolarHBondContact O-CD1 3.46Å; D234-I237 HydrophobicContact CB-CB 4.35Å; D234-I237 HydrophobicContact CB-CD1 3.98Å; D234-I237 HydrophobicContact CB-CG1 4.19Å; D234-I237 PolarHBondContact O-N 3.42Å; P235-I237 VanDerWaalsContact C-N 3.27Å; P235-I237 PolarHBondContact O-N 3.32Å; I237-N239 VanDerWaalsContact C-N 3.3Å; I237-N239 PolarHBondContact O-N 3.15Å; I237-G240 PolarHBondContact O-N 2.8Å; I237-V241 HydrophobicContact CG2-CG2 3.96Å; I237-V241 VanDerWaalsContact O-CB 3.26Å; I237-V241 WeakPolarHBondContact O-CB 3.5Å; I237-V241 VanDerWaalsContact O-CG2 3.25Å; I237-V241 WeakPolarHBondContact O-CG2 3.47Å; I237-V241 PolarHBondContact O-N 3.17Å; I237-F272 HydrophobicContact CG2-CB 4.22Å; I237-F272 HydrophobicContact CG2-CD1 4.01Å; I237-F272 HydrophobicContact CG2-CG 4.34Å
238	L	91.8	Very high	89.6	Confident	17 Å²	17	50 Å²	50	9%	0.089	26%	0.256	C	S	.	.	H	α-helix	trans	-60.8	-40.6	178.8	-67.1	175.5	0	0	0	111.5	L178 Y182 R233 D234 P235 V241 Y242	L178-L238 WeakPolarHBondContact O-CD1 3.26Å; Y182-L238 HydrophobicContact CD1-CD2 4.47Å; Y182-L238 HydrophobicContact CE1-CD2 4.05Å; R233-L238 HydrophobicContact CB-CD1 4.39Å; D234-L238 PolarHBondContact O-N 3.49Å; P235-L238 PolarHBondContact O-N 2.9Å; L238-V241 PolarHBondContact O-N 3Å; L238-Y242 VanDerWaalsContact O-CB 3.3Å; L238-Y242 WeakPolarHBondContact O-CB 3.22Å; L238-Y242 PolarHBondContact O-N 3.07Å
239	N	92.1	Very high	90.2	Very high	7 Å²	7	51.9 Å²	51.9	4%	0.037	26%	0.262	C	S	.	.	H	α-helix	trans	-63	-47.7	174.1	-82.1	-90.2	0	0	0	112.1	H172 Y174 N175 P235 I237 Y242 M243	H172-N239 PolarHBondContact NE2-OD1 2.92Å; Y174-N239 HydrophobicContact CD2-CB 4.01Å; Y174-N239 HydrophobicContact CE2-CB 4.29Å; N175-N239 PolarHBondContact N-OD1 3.44Å; N175-N239 PolarHBondContact O-ND2 2.96Å; P235-N239 WeakPolarHBondContact O-CB 3.38Å; P235-N239 PolarHBondContact O-N 2.87Å; P235-N239 PolarHBondContact O-ND2 3.03Å; I237-N239 VanDerWaalsContact C-N 3.3Å; I237-N239 PolarHBondContact O-N 3.15Å; N239-Y242 PolarHBondContact O-N 3.47Å; N239-M243 WeakPolarHBondContact O-CB 3.49Å; N239-M243 PolarHBondContact O-N 3.37Å
240	G	91.4	Very high	90.9	Very high	17 Å²	17	49.2 Å²	49.2	18%	0.175	25%	0.248	C	C	.	.	H	α-helix	trans	-67.2	-34.3	177.7	0	0	0	0	0	114	D236 I237 S244 F272	D236-G240 PolarHBondContact O-N 3.32Å; I237-G240 PolarHBondContact O-N 2.8Å; G240-S244 VanDerWaalsContact O-CB 3.3Å; G240-S244 WeakPolarHBondContact O-CB 2.8Å; G240-S244 PolarHBondContact O-N 3.45Å; G240-S244 PolarHBondContact O-OG 2.87Å; G240-F272 WeakPolarHBondContact O-CZ 3.41Å
241	V	93.3	Very high	91.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-68.1	-40.8	176	161.2	0	0	0	0	111.4	F180 Y182 I224 I237 L238 S244 E245 F272 R274	F180-V241 HydrophobicContact CD1-CG1 3.87Å; F180-V241 HydrophobicContact CE1-CG1 3.81Å; Y182-V241 HydrophobicContact CD1-CG1 3.74Å; Y182-V241 HydrophobicContact CD2-CG1 4.44Å; Y182-V241 HydrophobicContact CE1-CG1 4.38Å; Y182-V241 HydrophobicContact CG-CG1 3.76Å; I224-V241 HydrophobicContact CD1-CB 4.26Å; I224-V241 HydrophobicContact CD1-CG1 3.5Å; I224-V241 VanDerWaalsContact CD1-CG1 3.5Å; I224-V241 HydrophobicContact CD1-CG2 3.92Å; I224-V241 HydrophobicContact CG2-CG2 4.32Å; I237-V241 HydrophobicContact CG2-CG2 3.96Å; I237-V241 VanDerWaalsContact O-CB 3.26Å; I237-V241 WeakPolarHBondContact O-CB 3.5Å; I237-V241 VanDerWaalsContact O-CG2 3.25Å; I237-V241 WeakPolarHBondContact O-CG2 3.47Å; I237-V241 PolarHBondContact O-N 3.17Å; L238-V241 PolarHBondContact O-N 3Å; V241-S244 PolarHBondContact O-OG 3.48Å; V241-E245 PolarHBondContact O-N 2.88Å; V241-F272 HydrophobicContact CG2-CD1 4.15Å; V241-F272 HydrophobicContact CG2-CD2 3.82Å; V241-F272 HydrophobicContact CG2-CE1 4.23Å; V241-F272 HydrophobicContact CG2-CE2 3.9Å; V241-F272 HydrophobicContact CG2-CG 3.97Å; V241-F272 HydrophobicContact CG2-CZ 4.12Å; V241-R274 PolarHBondContact O-NH1 3.44Å
242	Y	93.1	Very high	91.9	Very high	105 Å²	105	42.7 Å²	42.7	41%	0.412	22%	0.221	S	C	.	.	H	α-helix	trans	-65.3	-53	173.8	178.4	-108.1	0	0	0	111.4	H172 L178 F180 L238 N239 S244 E245	H172-Y242 AromaticContact CE1-CD1 3.61Å; H172-Y242 AromaticContact ND1-CD1 3.68Å; H172-Y242 AromaticContact ND1-CE1 3.87Å; L178-Y242 HydrophobicContact CD2-CD1 4.26Å; L178-Y242 HydrophobicContact CD2-CG 4.07Å; F180-Y242 AromaticContact CD2-CD2 3.65Å; F180-Y242 HydrophobicContact CD2-CD2 3.65Å; F180-Y242 HydrophobicContact CD2-CE2 4.32Å; F180-Y242 AromaticContact CE2-CD2 3.67Å; F180-Y242 HydrophobicContact CE2-CD2 3.67Å; F180-Y242 HydrophobicContact CE2-CE2 4.23Å; F180-Y242 HydrophobicContact CG-CD2 4.19Å; F180-Y242 HydrophobicContact CZ-CD2 4.21Å; L238-Y242 VanDerWaalsContact O-CB 3.3Å; L238-Y242 WeakPolarHBondContact O-CB 3.22Å; L238-Y242 PolarHBondContact O-N 3.07Å; N239-Y242 PolarHBondContact O-N 3.47Å; Y242-S244 VanDerWaalsContact C-N 3.29Å; Y242-S244 PolarHBondContact O-N 2.78Å; Y242-E245 WeakPolarHBondContact O-CB 3.17Å; Y242-E245 PolarHBondContact O-N 3.26Å
243	M	92.6	Very high	92.3	Very high	17 Å²	17	42.8 Å²	42.8	8%	0.084	22%	0.222	C	C	.	.	H	α-helix	trans	-54.5	-42.7	177.1	164.6	-87.5	133.9	0	0	112.4	A165 A168 D169 H172 N239 E245	A165-M243 HydrophobicContact CB-CE 4.2Å; A165-M243 WeakPolarHBondContact O-CE 3.39Å; A168-M243 HydrophobicContact CB-CE 3.57Å; A168-M243 HydrophobicContact CB-CG 4.49Å; D169-M243 HydrophobicContact CB-CG 4.37Å; H172-M243 HydrophobicContact CB-CB 4.24Å; H172-M243 HydrophobicContact CB-CG 4.32Å; N239-M243 WeakPolarHBondContact O-CB 3.49Å; N239-M243 PolarHBondContact O-N 3.37Å; M243-E245 PolarHBondContact O-N 3.18Å
244	S	94.1	Very high	92.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-74.7	0.2	179.5	59.8	0	0	0	0	114.5	G240 V241 Y242 A246 L247 R274	G240-S244 VanDerWaalsContact O-CB 3.3Å; G240-S244 WeakPolarHBondContact O-CB 2.8Å; G240-S244 PolarHBondContact O-N 3.45Å; G240-S244 PolarHBondContact O-OG 2.87Å; V241-S244 PolarHBondContact O-OG 3.48Å; Y242-S244 VanDerWaalsContact C-N 3.29Å; Y242-S244 PolarHBondContact O-N 2.78Å; S244-A246 VanDerWaalsContact C-N 3.26Å; S244-A246 PolarHBondContact O-N 3.41Å; S244-L247 WeakPolarHBondContact O-CB 3.39Å; S244-L247 PolarHBondContact O-N 2.61Å; S244-R274 PolarHBondContact O-NE 3.43Å; S244-R274 PolarHBondContact O-NH1 3.39Å; S244-R274 PolarHBondContact OG-NH1 2.68Å
245	E	92.8	Very high	92.7	Very high	85 Å²	85	35.2 Å²	35.2	40%	0.397	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-62.2	-34.4	175.8	-172.3	172.1	-151.6	0	0	112.3	V241 Y242 M243 L247 N248	V241-E245 PolarHBondContact O-N 2.88Å; Y242-E245 WeakPolarHBondContact O-CB 3.17Å; Y242-E245 PolarHBondContact O-N 3.26Å; M243-E245 PolarHBondContact O-N 3.18Å; E245-L247 PolarHBondContact O-N 2.93Å; E245-N248 WeakPolarHBondContact O-CB 3.33Å; E245-N248 PolarHBondContact O-N 2.89Å; E245-N248 PolarHBondContact O-ND2 3.15Å
246	A	93.3	Very high	92.5	Very high	51 Å²	51	39.6 Å²	39.6	42%	0.421	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-56.3	-21.6	175.3	0	0	0	0	0	113.8	A168 S244 N248	A168-A246 HydrophobicContact CB-CB 3.89Å; S244-A246 VanDerWaalsContact C-N 3.26Å; S244-A246 PolarHBondContact O-N 3.41Å; A246-N248 VanDerWaalsContact C-N 3.3Å; A246-N248 PolarHBondContact O-N 3.13Å
247	L	95.1	Very high	92.5	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-73.1	-19.4	178.3	-57.3	-178.8	0	0	0	113.4	L161 A164 A165 S244 E245 D249 I250 F251 F266	L161-L247 HydrophobicContact CD2-CD2 4.49Å; A164-L247 HydrophobicContact CB-CD2 4.04Å; A165-L247 HydrophobicContact CB-CD1 4.37Å; A165-L247 HydrophobicContact CB-CD2 4Å; S244-L247 WeakPolarHBondContact O-CB 3.39Å; S244-L247 PolarHBondContact O-N 2.61Å; E245-L247 PolarHBondContact O-N 2.93Å; L247-D249 PolarHBondContact O-N 3.33Å; L247-I250 PolarHBondContact O-N 2.91Å; L247-F251 HydrophobicContact CB-CD2 4.14Å; L247-F251 HydrophobicContact CB-CE2 3.67Å; L247-F251 HydrophobicContact CB-CZ 4.01Å; L247-F251 HydrophobicContact CD1-CZ 4.41Å; L247-F251 WeakPolarHBondContact O-CD2 3.26Å; L247-F251 VanDerWaalsContact O-CG 3.27Å; L247-F251 WeakPolarHBondContact O-CG 3.32Å; L247-F251 PolarHBondContact O-N 2.74Å; L247-F266 HydrophobicContact CD1-CB 3.91Å; L247-F266 HydrophobicContact CD1-CD1 4.34Å; L247-F266 HydrophobicContact CD1-CG 4.08Å
248	N	93.7	Very high	92.3	Very high	26 Å²	26	41.7 Å²	41.7	14%	0.139	21%	0.211	C	C	.	.	H	α-helix	trans	-53.9	-49.9	179.4	-78.6	-32.8	0	0	0	112.2	S222 E245 A246 I250 F251 I252 R274	S222-N248 WeakPolarHBondContact CB-OD1 3.24Å; S222-N248 PolarHBondContact OG-OD1 3.49Å; E245-N248 WeakPolarHBondContact O-CB 3.33Å; E245-N248 PolarHBondContact O-N 2.89Å; E245-N248 PolarHBondContact O-ND2 3.15Å; A246-N248 VanDerWaalsContact C-N 3.3Å; A246-N248 PolarHBondContact O-N 3.13Å; N248-I250 VanDerWaalsContact C-N 3.33Å; N248-I250 PolarHBondContact O-N 3.42Å; N248-F251 PolarHBondContact O-N 2.92Å; N248-I252 WeakPolarHBondContact O-CG1 3.22Å; N248-I252 PolarHBondContact O-N 3.16Å; N248-I252 VanDerWaalsContact O-N 3.15Å; N248-R274 PolarHBondContact ND2-NH2 3.4Å
249	D	93.8	Very high	91.7	Very high	122 Å²	122	42.4 Å²	42.4	65%	0.652	22%	0.217	S	C	*	.	H	α-helix	trans	-66	-37.9	-177.7	-68.2	-19.3	0	0	0	111.5	L247 I252 D253	L247-D249 PolarHBondContact O-N 3.33Å; D249-I252 PolarHBondContact O-N 3.41Å; D249-D253 WeakPolarHBondContact O-CB 3.26Å; D249-D253 PolarHBondContact O-N 3.11Å
250	I	95.6	Very high	91.1	Very high	38 Å²	38	44.1 Å²	44.1	20%	0.195	23%	0.227	C	C	.	.	H	α-helix	trans	-69.4	-40.4	178.1	-51.7	-58	0	0	0	111.2	L161 A164 L247 N248 I252 D253 N254	L161-I250 HydrophobicContact CD2-CB 3.97Å; L161-I250 HydrophobicContact CD2-CG2 3.59Å; L161-I250 HydrophobicContact CG-CG2 4.1Å; A164-I250 HydrophobicContact CB-CD1 4.49Å; A164-I250 HydrophobicContact CB-CG1 3.88Å; L247-I250 PolarHBondContact O-N 2.91Å; N248-I250 VanDerWaalsContact C-N 3.33Å; N248-I250 PolarHBondContact O-N 3.42Å; I250-I252 VanDerWaalsContact C-N 3.34Å; I250-I252 PolarHBondContact O-N 3.3Å; I250-D253 PolarHBondContact O-N 3.27Å; I250-N254 VanDerWaalsContact O-CB 3.24Å; I250-N254 WeakPolarHBondContact O-CB 3.39Å; I250-N254 VanDerWaalsContact O-CG 3.29Å; I250-N254 PolarHBondContact O-N 2.95Å
251	F	95	Very high	90.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-59.5	-44.2	174.7	-70.1	-45.6	0	0	0	111.9	L161 L247 N248 F255 Q264 R274 Y276	L161-F251 HydrophobicContact CD1-CD1 4.02Å; L161-F251 HydrophobicContact CD1-CE1 3.84Å; L161-F251 HydrophobicContact CD2-CD1 3.49Å; L161-F251 VanDerWaalsContact CD2-CD1 3.49Å; L161-F251 HydrophobicContact CD2-CE1 3.49Å; L161-F251 VanDerWaalsContact CD2-CE1 3.49Å; L161-F251 HydrophobicContact CD2-CG 4.32Å; L161-F251 HydrophobicContact CD2-CZ 4.31Å; L161-F251 HydrophobicContact CG-CD1 4.42Å; L161-F251 HydrophobicContact CG-CE1 4.32Å; L247-F251 HydrophobicContact CB-CD2 4.14Å; L247-F251 HydrophobicContact CB-CE2 3.67Å; L247-F251 HydrophobicContact CB-CZ 4.01Å; L247-F251 HydrophobicContact CD1-CZ 4.41Å; L247-F251 WeakPolarHBondContact O-CD2 3.26Å; L247-F251 VanDerWaalsContact O-CG 3.27Å; L247-F251 WeakPolarHBondContact O-CG 3.32Å; L247-F251 PolarHBondContact O-N 2.74Å; N248-F251 PolarHBondContact O-N 2.92Å; F251-F255 WeakPolarHBondContact O-CB 3.26Å; F251-F255 PolarHBondContact O-N 3.4Å; F251-F255 VanDerWaalsContact O-N 3.08Å; F251-Q264 HydrophobicContact CD1-CB 3.5Å; F251-Q264 VanDerWaalsContact CD1-CB 3.5Å; F251-Q264 HydrophobicContact CD1-CG 4.39Å; F251-Q264 HydrophobicContact CE1-CB 3.71Å; F251-Q264 PolarHBondContact O-NE2 3.4Å; F251-R274 HydrophobicContact CE2-CG 4.38Å; F251-Y276 HydrophobicContact CB-CD1 3.7Å; F251-Y276 HydrophobicContact CB-CD2 3.95Å; F251-Y276 HydrophobicContact CB-CE1 4.21Å; F251-Y276 HydrophobicContact CB-CE2 4.45Å; F251-Y276 HydrophobicContact CB-CG 3.55Å; F251-Y276 HydrophobicContact CD2-CG 4.3Å; F251-Y276 HydrophobicContact CG-CD1 4.39Å; F251-Y276 HydrophobicContact CG-CG 4Å
252	I	93	Very high	90.4	Very high	41 Å²	41	43.7 Å²	43.7	21%	0.21	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-49.1	179.1	-65.8	164.5	0	0	0	110.6	N248 D249 I250 N254 F255 Q256 Y276	N248-I252 WeakPolarHBondContact O-CG1 3.22Å; N248-I252 PolarHBondContact O-N 3.16Å; N248-I252 VanDerWaalsContact O-N 3.15Å; D249-I252 PolarHBondContact O-N 3.41Å; I250-I252 VanDerWaalsContact C-N 3.34Å; I250-I252 PolarHBondContact O-N 3.3Å; I252-N254 PolarHBondContact O-N 3.19Å; I252-F255 PolarHBondContact O-N 2.92Å; I252-Q256 HydrophobicContact CG2-CG 4.47Å; I252-Q256 WeakPolarHBondContact O-CG 3.36Å; I252-Q256 PolarHBondContact O-N 2.95Å; I252-Y276 HydrophobicContact CG1-CE2 3.75Å
253	D	93.6	Very high	90.2	Very high	44 Å²	44	39 Å²	39	24%	0.235	20%	0.203	C	C	.	.	H	α-helix	trans	-63.2	-39.2	178.7	167.4	76	0	0	0	112.4	R160 D249 I250 Q256 K257	R160-D253 IonicContact CZ-OD2 2.69Å; R160-D253 IonicContact NH1-OD2 3.76Å; R160-D253 PolarHBondContact NH1-OD2 3.39Å; R160-D253 IonicContact NH2-OD2 2.78Å; R160-D253 PolarHBondContact NH2-OD2 3.15Å; D249-D253 WeakPolarHBondContact O-CB 3.26Å; D249-D253 PolarHBondContact O-N 3.11Å; I250-D253 PolarHBondContact O-N 3.27Å; D253-Q256 PolarHBondContact O-N 3.4Å; D253-K257 WeakPolarHBondContact O-CB 3.39Å; D253-K257 WeakPolarHBondContact O-CG 3.27Å; D253-K257 PolarHBondContact O-N 3.35Å; D253-K257 WeakPolarHBondContact OD1-CE 3.49Å; D253-K257 IonicContact OD1-NZ 3.3Å; D253-K257 PolarHBondContact OD1-NZ 2.95Å; D253-K257 IonicContact OD2-NZ 3.87Å; D253-K257 PolarHBondContact OD2-NZ 3.17Å
254	N	93.4	Very high	90.3	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-59.8	-46.4	171.7	-83	-15	0	0	0	111.5	S157 R160 I250 I252 Q256 K257 D258 L261 Q264	S157-N254 PolarHBondContact O-ND2 3.29Å; R160-N254 PolarHBondContact NH1-OD1 2.97Å; I250-N254 VanDerWaalsContact O-CB 3.24Å; I250-N254 WeakPolarHBondContact O-CB 3.39Å; I250-N254 VanDerWaalsContact O-CG 3.29Å; I250-N254 PolarHBondContact O-N 2.95Å; I252-N254 PolarHBondContact O-N 3.19Å; N254-Q256 PolarHBondContact O-N 3Å; N254-K257 PolarHBondContact O-N 3.09Å; N254-D258 PolarHBondContact O-N 3.31Å; N254-L261 HydrophobicContact CB-CD1 3.98Å; N254-L261 WeakPolarHBondContact O-CD1 3.38Å; N254-Q264 PolarHBondContact ND2-OE1 2.96Å
255	F	88.4	Confident	90.3	Very high	28 Å²	28	38.4 Å²	38.4	12%	0.123	20%	0.2	C	C	.	.	H	α-helix	trans	-68.5	-32.2	179.8	-175.8	-105.3	0	0	0	113.1	T219 F251 I252 D258 P259 L261 Y276	T219-F255 HydrophobicContact CG2-CE1 4.42Å; F251-F255 WeakPolarHBondContact O-CB 3.26Å; F251-F255 PolarHBondContact O-N 3.4Å; F251-F255 VanDerWaalsContact O-N 3.08Å; I252-F255 PolarHBondContact O-N 2.92Å; F255-D258 CarbonylContact O-C 3.55Å; F255-P259 WeakPolarHBondContact O-CA 3.37Å; F255-L261 HydrophobicContact CD2-CB 4.42Å; F255-Y276 HydrophobicContact CB-CE1 3.9Å; F255-Y276 HydrophobicContact CG-CE1 4.25Å
256	Q	87.5	Confident	90.5	Very high	141 Å²	141	34.6 Å²	34.6	66%	0.659	18%	0.182	S	C	*	.	H	α-helix	trans	-68.7	-36.9	172	-71.7	178.1	12.7	0	0	112.4	I252 D253 N254	I252-Q256 HydrophobicContact CG2-CG 4.47Å; I252-Q256 WeakPolarHBondContact O-CG 3.36Å; I252-Q256 PolarHBondContact O-N 2.95Å; D253-Q256 PolarHBondContact O-N 3.4Å; N254-Q256 PolarHBondContact O-N 3Å
257	K	88.4	Confident	90.6	Very high	130 Å²	130	32.1 Å²	32.1	57%	0.565	16%	0.162	S	C	*	.	H	α-helix	trans	-74.1	-35.9	176.3	-77.8	166	173.6	155	0	113.2	D253 N254	D253-K257 WeakPolarHBondContact O-CB 3.39Å; D253-K257 WeakPolarHBondContact O-CG 3.27Å; D253-K257 PolarHBondContact O-N 3.35Å; D253-K257 WeakPolarHBondContact OD1-CE 3.49Å; D253-K257 IonicContact OD1-NZ 3.3Å; D253-K257 PolarHBondContact OD1-NZ 2.95Å; D253-K257 IonicContact OD2-NZ 3.87Å; D253-K257 PolarHBondContact OD2-NZ 3.17Å; N254-K257 PolarHBondContact O-N 3.09Å
258	D	85.5	Confident	90.5	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.032	16%	0.164	C	C	.	.			trans	-136.5	87.4	179	-170.8	-12.1	0	0	0	111.7	K154 N254 F255 T260 L261	K154-D258 IonicContact NZ-OD1 3.87Å; K154-D258 PolarHBondContact NZ-OD1 2.97Å; K154-D258 IonicContact NZ-OD2 2.67Å; K154-D258 PolarHBondContact NZ-OD2 2.89Å; N254-D258 PolarHBondContact O-N 3.31Å; F255-D258 CarbonylContact O-C 3.55Å; D258-T260 PolarHBondContact O-N 3.11Å; D258-T260 WeakPolarHBondContact OD1-CB 3.21Å; D258-T260 PolarHBondContact OD1-N 3.1Å; D258-T260 PolarHBondContact OD1-OG1 3.44Å; D258-L261 HydrophobicContact CB-CD1 4.02Å; D258-L261 HydrophobicContact CB-CG 4.16Å; D258-L261 WeakPolarHBondContact O-CB 3.36Å; D258-L261 WeakPolarHBondContact O-CD1 3.35Å; D258-L261 WeakPolarHBondContact O-CG 3.28Å; D258-L261 PolarHBondContact O-N 3.33Å; D258-L261 VanDerWaalsContact O-N 3.09Å
259	P	80.8	Confident	90.3	Very high	32 Å²	32	32.3 Å²	32.3	21%	0.208	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-7.1	178.6	-26.7	38.4	0	0	0	115.1	F255 I709	F255-P259 WeakPolarHBondContact O-CA 3.37Å; P259-I709 HydrophobicContact CB-CG2 4.14Å; P259-I709 HydrophobicContact CG-CG2 4.05Å
260	T	79.7	Confident	90.1	Very high	43 Å²	43	28.9 Å²	28.9	26%	0.264	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-6.1	176	72.2	0	0	0	0	113	K154 D258	K154-T260 PolarHBondContact NZ-OG1 3.38Å; D258-T260 PolarHBondContact O-N 3.11Å; D258-T260 WeakPolarHBondContact OD1-CB 3.21Å; D258-T260 PolarHBondContact OD1-N 3.1Å; D258-T260 PolarHBondContact OD1-OG1 3.44Å
261	L	85.2	Confident	89.7	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	14%	0.141	C	C	.	.			trans	-56.9	136.2	167.8	-75.1	163.4	0	0	0	110.5	K154 H211 N254 F255 D258 T550	K154-L261 HydrophobicContact CD-CD2 3.58Å; K154-L261 HydrophobicContact CD-CG 4.31Å; H211-L261 PolarHBondContact NE2-O 3.05Å; N254-L261 HydrophobicContact CB-CD1 3.98Å; N254-L261 WeakPolarHBondContact O-CD1 3.38Å; F255-L261 HydrophobicContact CD2-CB 4.42Å; D258-L261 HydrophobicContact CB-CD1 4.02Å; D258-L261 HydrophobicContact CB-CG 4.16Å; D258-L261 WeakPolarHBondContact O-CB 3.36Å; D258-L261 WeakPolarHBondContact O-CD1 3.35Å; D258-L261 WeakPolarHBondContact O-CG 3.28Å; D258-L261 PolarHBondContact O-N 3.33Å; D258-L261 VanDerWaalsContact O-N 3.09Å; L261-T550 HydrophobicContact CD2-CG2 3.9Å; L261-T550 WeakPolarHBondContact CD2-OG1 3.17Å
262	T	84.7	Confident	89.6	Confident	7 Å²	7	27.1 Å²	27.1	4%	0.043	14%	0.141	C	C	.	.			trans	-94	-90.4	172.8	62.8	0	0	0	0	110.2	F212 M524 D551 A553	F212-T262 WeakPolarHBondContact CE1-O 3.31Å; F212-T262 VanDerWaalsContact CZ-O 3.28Å; F212-T262 WeakPolarHBondContact CZ-O 3.39Å; T262-M524 HydrophobicContact CG2-CE 4.01Å; T262-M524 WeakPolarHBondContact OG1-CE 3.26Å; T262-D551 WeakPolarHBondContact OG1-CB 3.49Å; T262-D551 PolarHBondContact OG1-O 3.18Å; T262-A553 HydrophobicContact CG2-CB 4.21Å
263	W	89.1	Confident	89.6	Confident	7 Å²	7	25.6 Å²	25.6	3%	0.027	13%	0.133	C	C	.	.			trans	-100.3	137.9	179.3	-56.2	120	0	0	0	109.7	F212 V217 Y265 L275 P277 I279 L513 T550 D551	F212-W263 HydrophobicContact CD1-CD2 4.44Å; F212-W263 HydrophobicContact CD1-CE3 4.36Å; F212-W263 AromaticContact CD1-CH2 3.52Å; F212-W263 HydrophobicContact CD1-CH2 3.52Å; F212-W263 AromaticContact CD1-CZ2 3.62Å; F212-W263 HydrophobicContact CD1-CZ2 3.62Å; F212-W263 AromaticContact CD1-CZ3 3.93Å; F212-W263 HydrophobicContact CD1-CZ3 3.93Å; F212-W263 HydrophobicContact CE1-CD2 4.12Å; F212-W263 AromaticContact CE1-CE3 3.92Å; F212-W263 HydrophobicContact CE1-CE3 3.92Å; F212-W263 AromaticContact CE1-CH2 3.91Å; F212-W263 HydrophobicContact CE1-CH2 3.91Å; F212-W263 HydrophobicContact CE1-CZ2 4.12Å; F212-W263 AromaticContact CE1-CZ3 3.82Å; F212-W263 HydrophobicContact CE1-CZ3 3.82Å; F212-W263 HydrophobicContact CG-CH2 4.31Å; V217-W263 HydrophobicContact CG1-CH2 4.21Å; W263-Y265 HydrophobicContact CB-CD1 4.3Å; W263-L275 HydrophobicContact CB-CD1 4.01Å; W263-L275 HydrophobicContact CD2-CD1 4.31Å; W263-L275 HydrophobicContact CE3-CD1 3.96Å; W263-L275 HydrophobicContact CE3-CG 4.35Å; W263-L275 HydrophobicContact CG-CD1 4.35Å; W263-P277 HydrophobicContact CE3-CG 4.31Å; W263-P277 HydrophobicContact CZ3-CG 3.88Å; W263-P277 WeakPolarHBondContact CZ3-O 3.5Å; W263-I279 HydrophobicContact CH2-CD1 4.28Å; W263-I279 HydrophobicContact CH2-CG2 3.73Å; W263-I279 HydrophobicContact CZ3-CG2 3.85Å; W263-L513 HydrophobicContact CZ2-CD1 4.47Å; W263-L513 HydrophobicContact CZ2-CD2 4Å; W263-T550 CarbonylContact O-C 3.49Å; W263-T550 WeakPolarHBondContact O-CA 3.5Å; W263-T550 WeakPolarHBondContact O-CB 3.31Å; W263-T550 PolarHBondContact O-OG1 3.49Å; W263-D551 HydrophobicContact CB-CB 4.29Å; W263-D551 PolarHBondContact O-N 3.47Å
264	Q	93.5	Very high	89.7	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	136.5	166	-64.3	175.8	86	0	0	107.5	L161 F251 N254 Y276	L161-Q264 HydrophobicContact CD1-CB 4.38Å; F251-Q264 HydrophobicContact CD1-CB 3.5Å; F251-Q264 VanDerWaalsContact CD1-CB 3.5Å; F251-Q264 HydrophobicContact CD1-CG 4.39Å; F251-Q264 HydrophobicContact CE1-CB 3.71Å; F251-Q264 PolarHBondContact O-NE2 3.4Å; N254-Q264 PolarHBondContact ND2-OE1 2.96Å; Q264-Y276 PolarHBondContact N-O 3.35Å; Q264-Y276 PolarHBondContact O-N 2.99Å
265	Y	94.5	Very high	89.7	Confident	4 Å²	4	24.6 Å²	24.6	2%	0.016	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	161	-174.8	53.6	-105.4	0	0	0	114.2	W263 F273 R274 L275 W298 S526 V548 G549 D551	W263-Y265 HydrophobicContact CB-CD1 4.3Å; Y265-F273 HydrophobicContact CD1-CE2 4.33Å; Y265-F273 HydrophobicContact CD1-CZ 4.01Å; Y265-F273 AromaticContact CD2-CE2 3.65Å; Y265-F273 HydrophobicContact CD2-CE2 3.65Å; Y265-F273 HydrophobicContact CD2-CZ 4.17Å; Y265-F273 HydrophobicContact CE2-CE2 4.44Å; Y265-F273 AromaticContact CG-CE2 3.57Å; Y265-F273 HydrophobicContact CG-CE2 3.57Å; Y265-F273 AromaticContact CG-CZ 3.64Å; Y265-F273 HydrophobicContact CG-CZ 3.64Å; Y265-R274 CarbonylContact C-O 3.59Å; Y265-R274 WeakPolarHBondContact CA-O 3.43Å; Y265-R274 VanDerWaalsContact CB-O 3.22Å; Y265-R274 WeakPolarHBondContact CB-O 3.39Å; Y265-L275 HydrophobicContact CD1-CD1 4.48Å; Y265-W298 AromaticContact CD2-CH2 3.74Å; Y265-W298 HydrophobicContact CD2-CH2 3.74Å; Y265-W298 AromaticContact CD2-CZ2 3.98Å; Y265-W298 HydrophobicContact CD2-CZ2 3.98Å; Y265-W298 HydrophobicContact CD2-CZ3 4.03Å; Y265-W298 AromaticContact CE2-CD2 3.73Å; Y265-W298 HydrophobicContact CE2-CD2 3.73Å; Y265-W298 AromaticContact CE2-CE2 3.66Å; Y265-W298 AromaticContact CE2-CE3 3.64Å; Y265-W298 HydrophobicContact CE2-CE3 3.64Å; Y265-W298 AromaticContact CE2-CH2 3.54Å; Y265-W298 HydrophobicContact CE2-CH2 3.54Å; Y265-W298 AromaticContact CE2-CZ2 3.6Å; Y265-W298 HydrophobicContact CE2-CZ2 3.6Å; Y265-W298 AromaticContact CE2-CZ3 3.54Å; Y265-W298 HydrophobicContact CE2-CZ3 3.54Å; Y265-W298 AromaticContact CZ-CE2 3.93Å; Y265-S526 WeakPolarHBondContact OH-CB 3.33Å; Y265-S526 PolarHBondContact OH-OG 2.95Å; Y265-V548 WeakPolarHBondContact O-CA 3.47Å; Y265-G549 PolarHBondContact N-O 2.85Å; Y265-G549 PolarHBondContact O-N 2.9Å; Y265-D551 WeakPolarHBondContact CE1-OD1 3.43Å; Y265-D551 PolarHBondContact OH-OD1 3.4Å
266	F	96.1	Very high	89.8	Confident	4 Å²	4	23.4 Å²	23.4	2%	0.018	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	117	169.3	172	-114.9	0	0	0	108.6	L247 F272 R274 V531 V548	L247-F266 HydrophobicContact CD1-CB 3.91Å; L247-F266 HydrophobicContact CD1-CD1 4.34Å; L247-F266 HydrophobicContact CD1-CG 4.08Å; F266-F272 HydrophobicContact CD1-CE2 4.26Å; F266-F272 HydrophobicContact CD1-CZ 4.43Å; F266-F272 HydrophobicContact CE1-CE2 4.27Å; F266-F272 AromaticContact CE1-CZ 3.98Å; F266-F272 HydrophobicContact CE1-CZ 3.98Å; F266-R274 HydrophobicContact CB-CB 4.43Å; F266-R274 PolarHBondContact N-O 3.26Å; F266-R274 PolarHBondContact O-N 3Å; F266-V531 HydrophobicContact CE2-CB 4.39Å; F266-V531 HydrophobicContact CE2-CG2 4.26Å; F266-V548 HydrophobicContact CB-CG1 4.22Å; F266-V548 HydrophobicContact CD2-CG1 3.76Å; F266-V548 HydrophobicContact CG-CG1 4.44Å
267	G	95.1	Very high	90	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	122.2	168.8	0	0	0	0	0	109.6	G546 V547	G267-G546 CarbonylContact O-C 3.58Å; G267-G546 WeakPolarHBondContact O-CA 3.49Å; G267-V547 PolarHBondContact N-O 2.84Å; G267-V547 PolarHBondContact O-N 2.91Å
268	S	93.8	Very high	90	Very high	8 Å²	8	10.6 Å²	10.6	6%	0.056	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	151.5	179.7	-175.3	0	0	0	0	112.3	T270 G271 F272 L545	S268-T270 PolarHBondContact O-N 2.86Å; S268-T270 PolarHBondContact OG-N 3.37Å; S268-T270 PolarHBondContact OG-OG1 3.2Å; S268-T270 VanDerWaalsContact OG-OG1 3.1Å; S268-G271 PolarHBondContact O-N 2.87Å; S268-F272 PolarHBondContact N-O 2.93Å; S268-F272 WeakPolarHBondContact OG-CE1 3.35Å; S268-L545 PolarHBondContact OG-O 3.18Å
269	A	90.4	Very high	90.1	Very high	21 Å²	21	10.9 Å²	10.9	17%	0.174	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-32.6	165.9	0	0	0	0	0	113	G271 R294 Y299 L544 L545	A269-G271 PolarHBondContact O-N 3.38Å; A269-R294 WeakPolarHBondContact O-CD 3.27Å; A269-Y299 WeakPolarHBondContact CA-OH 3.5Å; A269-L544 WeakPolarHBondContact CB-O 3.4Å; A269-L545 PolarHBondContact N-O 3.09Å
270	T	87.9	Confident	90.3	Very high	51 Å²	51	13 Å²	13	31%	0.313	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	2.5	176.1	61.6	0	0	0	0	113.6	D236 S268 F272	D236-T270 HydrophobicContact CB-CG2 4.29Å; S268-T270 PolarHBondContact O-N 2.86Å; S268-T270 PolarHBondContact OG-N 3.37Å; S268-T270 PolarHBondContact OG-OG1 3.2Å; S268-T270 VanDerWaalsContact OG-OG1 3.1Å; T270-F272 VanDerWaalsContact OG1-CD1 3.28Å; T270-F272 WeakPolarHBondContact OG1-CD1 3.36Å; T270-F272 WeakPolarHBondContact OG1-CE1 3.48Å
271	G	88.5	Confident	90.5	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	93.7	-14.2	169.3	0	0	0	0	0	116	P227 S268 A269 C293	P227-G271 VanDerWaalsContact CD-O 3.23Å; P227-G271 WeakPolarHBondContact CD-O 3.22Å; P227-G271 WeakPolarHBondContact CG-O 3.28Å; S268-G271 PolarHBondContact O-N 2.87Å; A269-G271 PolarHBondContact O-N 3.38Å; G271-C293 PolarHBondContact O-SG 3.06Å
272	F	92.4	Very high	90.2	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.085	C	C	.	.			trans	-70.7	148.7	172.7	80.5	-94.7	0	0	0	111.6	I224 Q225 V226 I237 G240 V241 F266 S268 T270	I224-F272 HydrophobicContact CG2-CB 4.19Å; I224-F272 HydrophobicContact CG2-CD2 4.07Å; Q225-F272 WeakPolarHBondContact O-CA 3.42Å; V226-F272 HydrophobicContact CG2-CB 4.17Å; I237-F272 HydrophobicContact CG2-CB 4.22Å; I237-F272 HydrophobicContact CG2-CD1 4.01Å; I237-F272 HydrophobicContact CG2-CG 4.34Å; G240-F272 WeakPolarHBondContact O-CZ 3.41Å; V241-F272 HydrophobicContact CG2-CD1 4.15Å; V241-F272 HydrophobicContact CG2-CD2 3.82Å; V241-F272 HydrophobicContact CG2-CE1 4.23Å; V241-F272 HydrophobicContact CG2-CE2 3.9Å; V241-F272 HydrophobicContact CG2-CG 3.97Å; V241-F272 HydrophobicContact CG2-CZ 4.12Å; F266-F272 HydrophobicContact CD1-CE2 4.26Å; F266-F272 HydrophobicContact CD1-CZ 4.43Å; F266-F272 HydrophobicContact CE1-CE2 4.27Å; F266-F272 AromaticContact CE1-CZ 3.98Å; F266-F272 HydrophobicContact CE1-CZ 3.98Å; S268-F272 PolarHBondContact N-O 2.93Å; S268-F272 WeakPolarHBondContact OG-CE1 3.35Å; T270-F272 VanDerWaalsContact OG1-CD1 3.28Å; T270-F272 WeakPolarHBondContact OG1-CD1 3.36Å; T270-F272 WeakPolarHBondContact OG1-CE1 3.48Å
273	F	93.6	Very high	89.7	Confident	10 Å²	10	18.4 Å²	18.4	4%	0.044	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	116	-174.9	179.3	-110.8	0	0	0	110.2	I224 Q225 Y265 L275 W281 F291 C293 W298	I224-F273 CarbonylContact C-O 3.57Å; I224-F273 WeakPolarHBondContact CA-O 3.5Å; Q225-F273 HydrophobicContact CB-CB 4.42Å; Q225-F273 HydrophobicContact CB-CD1 4.46Å; Q225-F273 PolarHBondContact N-O 3.43Å; Q225-F273 PolarHBondContact O-N 3.19Å; Y265-F273 HydrophobicContact CD1-CE2 4.33Å; Y265-F273 HydrophobicContact CD1-CZ 4.01Å; Y265-F273 AromaticContact CD2-CE2 3.65Å; Y265-F273 HydrophobicContact CD2-CE2 3.65Å; Y265-F273 HydrophobicContact CD2-CZ 4.17Å; Y265-F273 HydrophobicContact CE2-CE2 4.44Å; Y265-F273 AromaticContact CG-CE2 3.57Å; Y265-F273 HydrophobicContact CG-CE2 3.57Å; Y265-F273 AromaticContact CG-CZ 3.64Å; Y265-F273 HydrophobicContact CG-CZ 3.64Å; F273-L275 HydrophobicContact CD1-CB 4.37Å; F273-L275 HydrophobicContact CE1-CB 3.93Å; F273-L275 HydrophobicContact CE1-CD1 4.17Å; F273-L275 HydrophobicContact CE1-CD2 4.32Å; F273-L275 HydrophobicContact CE1-CG 4.37Å; F273-L275 HydrophobicContact CZ-CD1 4.29Å; F273-W281 HydrophobicContact CD1-CH2 4.45Å; F273-W281 HydrophobicContact CD1-CZ2 4.18Å; F273-W281 HydrophobicContact CE1-CZ2 4.22Å; F273-F291 HydrophobicContact CB-CE1 4.32Å; F273-F291 AromaticContact CD1-CE1 3.9Å; F273-F291 HydrophobicContact CD1-CE1 3.9Å; F273-F291 HydrophobicContact CD1-CZ 4.09Å; F273-F291 HydrophobicContact CD2-CE1 4.35Å; F273-F291 HydrophobicContact CE1-CE1 4.27Å; F273-F291 AromaticContact CE1-CZ 3.97Å; F273-F291 HydrophobicContact CE1-CZ 3.97Å; F273-F291 HydrophobicContact CE2-CZ 4.44Å; F273-F291 AromaticContact CG-CE1 3.94Å; F273-F291 HydrophobicContact CG-CE1 3.94Å; F273-F291 HydrophobicContact CG-CZ 4.38Å; F273-F291 HydrophobicContact CZ-CZ 4.16Å; F273-C293 HydrophobicContact CB-CB 4.11Å; F273-C293 HydrophobicContact CD2-CB 3.71Å; F273-C293 HydrophobicContact CG-CB 4.2Å; F273-W298 HydrophobicContact CD2-CH2 4.22Å; F273-W298 HydrophobicContact CD2-CZ2 4.24Å; F273-W298 AromaticContact CE2-CH2 3.87Å; F273-W298 HydrophobicContact CE2-CH2 3.87Å; F273-W298 AromaticContact CE2-CZ2 3.65Å; F273-W298 HydrophobicContact CE2-CZ2 3.65Å
274	R	94.6	Very high	88.8	Confident	12 Å²	12	21.6 Å²	21.6	5%	0.045	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	126.8	177.7	-168.4	173.2	-157.4	129.4	3.1	109.9	S222 N223 I224 V241 S244 N248 F251 Y265 F266	S222-R274 PolarHBondContact OG-NE 3.11Å; N223-R274 WeakPolarHBondContact O-CA 3.48Å; I224-R274 HydrophobicContact CG1-CB 4.14Å; I224-R274 HydrophobicContact CG1-CG 3.98Å; V241-R274 PolarHBondContact O-NH1 3.44Å; S244-R274 PolarHBondContact O-NE 3.43Å; S244-R274 PolarHBondContact O-NH1 3.39Å; S244-R274 PolarHBondContact OG-NH1 2.68Å; N248-R274 PolarHBondContact ND2-NH2 3.4Å; F251-R274 HydrophobicContact CE2-CG 4.38Å; Y265-R274 CarbonylContact C-O 3.59Å; Y265-R274 WeakPolarHBondContact CA-O 3.43Å; Y265-R274 VanDerWaalsContact CB-O 3.22Å; Y265-R274 WeakPolarHBondContact CB-O 3.39Å; F266-R274 HydrophobicContact CB-CB 4.43Å; F266-R274 PolarHBondContact N-O 3.26Å; F266-R274 PolarHBondContact O-N 3Å
275	L	92.9	Very high	87.9	Confident	11 Å²	11	30.2 Å²	30.2	6%	0.058	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	135.5	-172.4	178.9	65.3	0	0	0	111.8	S222 N223 W263 Y265 F273 I279 W281	S222-L275 CarbonylContact C-O 3.58Å; S222-L275 VanDerWaalsContact CA-O 3.24Å; S222-L275 WeakPolarHBondContact CA-O 3.36Å; S222-L275 WeakPolarHBondContact CB-O 3.35Å; N223-L275 PolarHBondContact N-O 3.05Å; N223-L275 PolarHBondContact O-N 3.34Å; N223-L275 PolarHBondContact OD1-O 3.47Å; W263-L275 HydrophobicContact CB-CD1 4.01Å; W263-L275 HydrophobicContact CD2-CD1 4.31Å; W263-L275 HydrophobicContact CE3-CD1 3.96Å; W263-L275 HydrophobicContact CE3-CG 4.35Å; W263-L275 HydrophobicContact CG-CD1 4.35Å; Y265-L275 HydrophobicContact CD1-CD1 4.48Å; F273-L275 HydrophobicContact CD1-CB 4.37Å; F273-L275 HydrophobicContact CE1-CB 3.93Å; F273-L275 HydrophobicContact CE1-CD1 4.17Å; F273-L275 HydrophobicContact CE1-CD2 4.32Å; F273-L275 HydrophobicContact CE1-CG 4.37Å; F273-L275 HydrophobicContact CZ-CD1 4.29Å; L275-I279 HydrophobicContact CD2-CD1 3.9Å; L275-I279 HydrophobicContact CD2-CG1 3.8Å; L275-W281 HydrophobicContact CD2-CZ2 4.47Å
276	Y	92.1	Very high	86.8	Confident	4 Å²	4	37 Å²	37	2%	0.016	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.3	172.1	179	-87.4	0	0	0	111.2	T219 F251 I252 F255 Q264	T219-Y276 PolarHBondContact O-OH 2.89Å; F251-Y276 HydrophobicContact CB-CD1 3.7Å; F251-Y276 HydrophobicContact CB-CD2 3.95Å; F251-Y276 HydrophobicContact CB-CE1 4.21Å; F251-Y276 HydrophobicContact CB-CE2 4.45Å; F251-Y276 HydrophobicContact CB-CG 3.55Å; F251-Y276 HydrophobicContact CD2-CG 4.3Å; F251-Y276 HydrophobicContact CG-CD1 4.39Å; F251-Y276 HydrophobicContact CG-CG 4Å; I252-Y276 HydrophobicContact CG1-CE2 3.75Å; F255-Y276 HydrophobicContact CB-CE1 3.9Å; F255-Y276 HydrophobicContact CG-CE1 4.25Å; Q264-Y276 PolarHBondContact N-O 3.35Å; Q264-Y276 PolarHBondContact O-N 2.99Å
277	P	90.2	Very high	85.5	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.006	22%	0.22	C	C	.	.	S	Bend	cis	-65.2	151	-9.6	25.6	-32.8	0	0	0	112.3	F212 V217 S218 W263	F212-P277 HydrophobicContact CD2-CG 4.47Å; F212-P277 HydrophobicContact CE1-CG 3.89Å; F212-P277 HydrophobicContact CE2-CG 3.7Å; F212-P277 HydrophobicContact CZ-CG 3.37Å; V217-P277 HydrophobicContact CB-CB 4.33Å; V217-P277 HydrophobicContact CB-CG 4.26Å; V217-P277 HydrophobicContact CG2-CG 4.44Å; S218-P277 WeakPolarHBondContact O-CA 3.5Å; S218-P277 WeakPolarHBondContact O-CB 3.32Å; W263-P277 HydrophobicContact CE3-CG 4.31Å; W263-P277 HydrophobicContact CZ3-CG 3.88Å; W263-P277 WeakPolarHBondContact CZ3-O 3.5Å
278	G	89.4	Confident	84.4	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	142.1	-175.6	0	0	0	0	0	113.3	V217 S218 Q221 N223	V217-G278 CarbonylContact C-O 3.54Å; S218-G278 PolarHBondContact N-O 2.99Å; S218-G278 PolarHBondContact O-N 2.91Å; S218-G278 VanDerWaalsContact O-N 3.13Å; Q221-G278 PolarHBondContact O-N 3.48Å; N223-G278 WeakPolarHBondContact OD1-CA 3.49Å
279	I	87.8	Confident	83.4	Confident	12 Å²	12	42.9 Å²	42.9	6%	0.062	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149.1	-178.9	58.5	170	0	0	0	112.9	V217 N223 W263 L275 V512	V217-I279 HydrophobicContact CB-CG2 4.11Å; V217-I279 HydrophobicContact CG1-CG2 3.71Å; N223-I279 PolarHBondContact ND2-N 2.6Å; N223-I279 PolarHBondContact ND2-O 2.99Å; N223-I279 PolarHBondContact OD1-N 3.34Å; W263-I279 HydrophobicContact CH2-CD1 4.28Å; W263-I279 HydrophobicContact CH2-CG2 3.73Å; W263-I279 HydrophobicContact CZ3-CG2 3.85Å; L275-I279 HydrophobicContact CD2-CD1 3.9Å; L275-I279 HydrophobicContact CD2-CG1 3.8Å; I279-V512 HydrophobicContact CD1-CG1 4.39Å
280	Q	85.7	Confident	82.7	Confident	77 Å²	77	47.6 Å²	47.6	36%	0.36	27%	0.268	S	S	.	.			trans	-77	125.7	170	-167.7	-178.2	31.7	0	0	110.1	I188 L206	I188-Q280 HydrophobicContact CG2-CB 4.34Å; I188-Q280 HydrophobicContact CG2-CG 4.35Å; I188-Q280 PolarHBondContact O-NE2 3.33Å; L206-Q280 HydrophobicContact CD1-CB 3.98Å
281	W	83.3	Confident	82.6	Confident	13 Å²	13	45.9 Å²	45.9	5%	0.049	26%	0.256	C	S	.	.			trans	-89.8	139.2	177.8	-75.5	44.5	0	0	0	110.2	S185 L186 Q225 F273 L275 V289 F291 V512	S185-W281 PolarHBondContact O-N 2.67Å; L186-W281 HydrophobicContact CD2-CB 3.75Å; L186-W281 HydrophobicContact CG-CB 4.36Å; Q225-W281 HydrophobicContact CB-CH2 4.21Å; Q225-W281 HydrophobicContact CB-CZ2 4.1Å; Q225-W281 HydrophobicContact CG-CD2 4.29Å; Q225-W281 HydrophobicContact CG-CE3 3.99Å; Q225-W281 HydrophobicContact CG-CH2 3.82Å; Q225-W281 HydrophobicContact CG-CZ2 4.16Å; Q225-W281 HydrophobicContact CG-CZ3 3.75Å; F273-W281 HydrophobicContact CD1-CH2 4.45Å; F273-W281 HydrophobicContact CD1-CZ2 4.18Å; F273-W281 HydrophobicContact CE1-CZ2 4.22Å; L275-W281 HydrophobicContact CD2-CZ2 4.47Å; W281-V289 HydrophobicContact CE3-CG1 3.96Å; W281-V289 HydrophobicContact CZ3-CG1 3.93Å; W281-F291 HydrophobicContact CH2-CB 4.08Å; W281-F291 AromaticContact CH2-CD1 3.74Å; W281-F291 HydrophobicContact CH2-CD1 3.74Å; W281-F291 AromaticContact CH2-CD2 3.52Å; W281-F291 HydrophobicContact CH2-CD2 3.52Å; W281-F291 AromaticContact CH2-CE1 3.98Å; W281-F291 HydrophobicContact CH2-CE1 3.98Å; W281-F291 AromaticContact CH2-CE2 3.81Å; W281-F291 HydrophobicContact CH2-CE2 3.81Å; W281-F291 AromaticContact CH2-CG 3.53Å; W281-F291 HydrophobicContact CH2-CG 3.53Å; W281-F291 HydrophobicContact CH2-CZ 4.03Å; W281-F291 HydrophobicContact CZ3-CB 3.6Å; W281-F291 HydrophobicContact CZ3-CD1 4.12Å; W281-F291 AromaticContact CZ3-CD2 3.78Å; W281-F291 HydrophobicContact CZ3-CD2 3.78Å; W281-F291 AromaticContact CZ3-CG 3.59Å; W281-F291 HydrophobicContact CZ3-CG 3.59Å; W281-V512 HydrophobicContact CD2-CG1 3.69Å; W281-V512 HydrophobicContact CE3-CG1 3.86Å; W281-V512 HydrophobicContact CE3-CG2 4.09Å; W281-V512 HydrophobicContact CG-CG1 4.22Å; W281-V512 HydrophobicContact CH2-CB 4.49Å; W281-V512 HydrophobicContact CH2-CG1 4.26Å; W281-V512 HydrophobicContact CH2-CG2 3.39Å; W281-V512 HydrophobicContact CZ2-CG1 4.07Å; W281-V512 HydrophobicContact CZ2-CG2 3.83Å; W281-V512 HydrophobicContact CZ3-CG1 4.14Å; W281-V512 HydrophobicContact CZ3-CG2 3.51Å
282	I	77.6	Confident	82.5	Confident	97 Å²	97	46.1 Å²	46.1	50%	0.497	26%	0.257	S	S	.	.			trans	-107.2	115.3	179.3	-53.2	-177.3	0	0	0	108.4	T516	I282-T516 HydrophobicContact CD1-CG2 3.86Å
283	P	75.2	Confident	82.3	Confident	54 Å²	54	46.1 Å²	46.1	35%	0.351	26%	0.257	S	S	.	.			trans	-69.2	162	177.1	30	-35.2	0	0	0	111.8	L186 V289	L186-P283 HydrophobicContact CD2-CB 4.48Å; P283-V289 HydrophobicContact CB-CG2 4.1Å
284	D	71.1	Confident	82.1	Confident	73 Å²	73	46.4 Å²	46.4	39%	0.39	26%	0.258	S	S	.	.			trans	-67.9	175.4	177.6	-74.1	-27.8	0	0	0	112.5	N286 G287 V288 N515	D284-N286 PolarHBondContact O-N 2.8Å; D284-G287 PolarHBondContact O-N 2.85Å; D284-V288 PolarHBondContact N-O 2.94Å; D284-N515 PolarHBondContact OD1-ND2 2.83Å
285	E	73	Confident	81.8	Confident	183 Å²	183	48.2 Å²	48.2	86%	0.855	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-18.3	178.9	-64.8	178.3	-169.3	0	0	114.3
286	N	71.8	Confident	81.6	Confident	147 Å²	147	50.8 Å²	50.8	79%	0.786	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	2.5	177.7	-60.7	-34.7	0	0	0	114.4	D284 V288	D284-N286 PolarHBondContact O-N 2.8Å; N286-V288 VanDerWaalsContact C-N 3.32Å; N286-V288 PolarHBondContact O-N 2.87Å
287	G	68.8	Low	81.5	Confident	55 Å²	55	53.2 Å²	53.2	57%	0.567	29%	0.291	S	S	*	.	S	Bend	trans	76.8	10.6	-177	0	0	0	0	0	115.5	D284	D284-G287 PolarHBondContact O-N 2.85Å
288	V	72.1	Confident	81.5	Confident	62 Å²	62	53.7 Å²	53.7	38%	0.376	29%	0.292	S	S	.	.			trans	-105.9	146.2	-176.6	-179.7	0	0	0	0	110.6	T228 D284 N286	T228-V288 HydrophobicContact CG2-CG1 4.49Å; D284-V288 PolarHBondContact N-O 2.94Å; N286-V288 VanDerWaalsContact C-N 3.32Å; N286-V288 PolarHBondContact O-N 2.87Å
289	V	73.9	Confident	81.7	Confident	17 Å²	17	53.9 Å²	53.9	10%	0.103	29%	0.293	C	S	.	.			trans	-111.6	120.1	168.7	172.4	0	0	0	0	108.9	L186 T228 W281 P283 F291	L186-V289 HydrophobicContact CD1-CB 4.46Å; L186-V289 HydrophobicContact CD1-CG2 3.88Å; L186-V289 HydrophobicContact CD2-CG2 3.54Å; L186-V289 HydrophobicContact CG-CG2 4.29Å; T228-V289 PolarHBondContact OG1-O 3.04Å; W281-V289 HydrophobicContact CE3-CG1 3.96Å; W281-V289 HydrophobicContact CZ3-CG1 3.93Å; P283-V289 HydrophobicContact CB-CG2 4.1Å; V289-F291 VanDerWaalsContact C-N 3.27Å; V289-F291 HydrophobicContact CG1-CB 3.72Å; V289-F291 PolarHBondContact O-N 3.07Å
290	T	75.3	Confident	81.9	Confident	121 Å²	121	53.5 Å²	53.5	74%	0.742	29%	0.291	S	S	*	.			trans	-86.8	8.5	-178.2	49.9	0	0	0	0	113.8
291	F	84.4	Confident	82.2	Confident	14 Å²	14	51.3 Å²	51.3	6%	0.061	28%	0.281	C	S	.	.			trans	-82.5	122	-179.4	-171.4	-73	0	0	0	111.3	Q225 F273 W281 V289 C293 V512	Q225-F291 PolarHBondContact NE2-O 3.29Å; Q225-F291 VanDerWaalsContact OE1-CD1 3.24Å; F273-F291 HydrophobicContact CB-CE1 4.32Å; F273-F291 AromaticContact CD1-CE1 3.9Å; F273-F291 HydrophobicContact CD1-CE1 3.9Å; F273-F291 HydrophobicContact CD1-CZ 4.09Å; F273-F291 HydrophobicContact CD2-CE1 4.35Å; F273-F291 HydrophobicContact CE1-CE1 4.27Å; F273-F291 AromaticContact CE1-CZ 3.97Å; F273-F291 HydrophobicContact CE1-CZ 3.97Å; F273-F291 HydrophobicContact CE2-CZ 4.44Å; F273-F291 AromaticContact CG-CE1 3.94Å; F273-F291 HydrophobicContact CG-CE1 3.94Å; F273-F291 HydrophobicContact CG-CZ 4.38Å; F273-F291 HydrophobicContact CZ-CZ 4.16Å; W281-F291 HydrophobicContact CH2-CB 4.08Å; W281-F291 AromaticContact CH2-CD1 3.74Å; W281-F291 HydrophobicContact CH2-CD1 3.74Å; W281-F291 AromaticContact CH2-CD2 3.52Å; W281-F291 HydrophobicContact CH2-CD2 3.52Å; W281-F291 AromaticContact CH2-CE1 3.98Å; W281-F291 HydrophobicContact CH2-CE1 3.98Å; W281-F291 AromaticContact CH2-CE2 3.81Å; W281-F291 HydrophobicContact CH2-CE2 3.81Å; W281-F291 AromaticContact CH2-CG 3.53Å; W281-F291 HydrophobicContact CH2-CG 3.53Å; W281-F291 HydrophobicContact CH2-CZ 4.03Å; W281-F291 HydrophobicContact CZ3-CB 3.6Å; W281-F291 HydrophobicContact CZ3-CD1 4.12Å; W281-F291 AromaticContact CZ3-CD2 3.78Å; W281-F291 HydrophobicContact CZ3-CD2 3.78Å; W281-F291 AromaticContact CZ3-CG 3.59Å; W281-F291 HydrophobicContact CZ3-CG 3.59Å; V289-F291 VanDerWaalsContact C-N 3.27Å; V289-F291 HydrophobicContact CG1-CB 3.72Å; V289-F291 PolarHBondContact O-N 3.07Å; F291-C293 HydrophobicContact CE1-CB 4.05Å; F291-V512 HydrophobicContact CD2-CG2 3.55Å; F291-V512 HydrophobicContact CE2-CG2 3.79Å
292	D	87	Confident	82.6	Confident	5 Å²	5	50.9 Å²	50.9	3%	0.027	28%	0.28	C	S	.	.			trans	-121	138.3	160.6	-169.7	-28.9	0	0	0	106.8	P227 R294 N295 R296 Q480	P227-D292 HydrophobicContact CG-CB 4.44Å; D292-R294 WeakPolarHBondContact OD1-CB 3.41Å; D292-R294 IonicContact OD1-CZ 3.71Å; D292-R294 PolarHBondContact OD1-N 3.1Å; D292-R294 IonicContact OD1-NE 3.5Å; D292-R294 PolarHBondContact OD1-NE 2.98Å; D292-R294 VanDerWaalsContact OD1-NE 3.08Å; D292-R294 IonicContact OD1-NH2 2.61Å; D292-R294 IonicContact OD2-CZ 3.8Å; D292-R294 IonicContact OD2-NE 3.93Å; D292-R294 PolarHBondContact OD2-NE 2.8Å; D292-R294 IonicContact OD2-NH2 2.73Å; D292-R294 PolarHBondContact OD2-NH2 2.9Å; D292-N295 HydrophobicContact CB-CB 4.41Å; D292-R296 WeakPolarHBondContact O-CG 3.38Å; D292-R296 PolarHBondContact O-NE 2.58Å; D292-Q480 PolarHBondContact OD2-NE2 2.88Å
293	C	89.2	Confident	83.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.256	C	S	.	.	S	Bend	trans	-75.5	-31.9	177.8	60.9	0	0	0	0	112	G271 F273 F291 N295 R296 W298 Y299	G271-C293 PolarHBondContact O-SG 3.06Å; F273-C293 HydrophobicContact CB-CB 4.11Å; F273-C293 HydrophobicContact CD2-CB 3.71Å; F273-C293 HydrophobicContact CG-CB 4.2Å; F291-C293 HydrophobicContact CE1-CB 4.05Å; C293-N295 VanDerWaalsContact C-N 3.27Å; C293-N295 PolarHBondContact O-N 3.42Å; C293-R296 WeakPolarHBondContact O-CB 3.45Å; C293-R296 WeakPolarHBondContact O-CG 3.24Å; C293-R296 PolarHBondContact O-N 3.28Å; C293-R296 VanDerWaalsContact O-N 3.16Å; C293-W298 HydrophobicContact CB-CH2 4.1Å; C293-W298 HydrophobicContact CB-CZ2 4.12Å; C293-Y299 VanDerWaalsContact O-CB 3.25Å; C293-Y299 WeakPolarHBondContact O-CB 3.04Å
294	R	89.3	Confident	83.9	Confident	16 Å²	16	44 Å²	44	6%	0.06	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.5	-175.9	-59.5	168.9	-62.1	165.7	7.8	112.3	A269 D292 R296 Y299 I300 E481	A269-R294 WeakPolarHBondContact O-CD 3.27Å; D292-R294 WeakPolarHBondContact OD1-CB 3.41Å; D292-R294 IonicContact OD1-CZ 3.71Å; D292-R294 PolarHBondContact OD1-N 3.1Å; D292-R294 IonicContact OD1-NE 3.5Å; D292-R294 PolarHBondContact OD1-NE 2.98Å; D292-R294 VanDerWaalsContact OD1-NE 3.08Å; D292-R294 IonicContact OD1-NH2 2.61Å; D292-R294 IonicContact OD2-CZ 3.8Å; D292-R294 IonicContact OD2-NE 3.93Å; D292-R294 PolarHBondContact OD2-NE 2.8Å; D292-R294 IonicContact OD2-NH2 2.73Å; D292-R294 PolarHBondContact OD2-NH2 2.9Å; R294-R296 PolarHBondContact O-N 2.89Å; R294-Y299 HydrophobicContact CB-CD1 4.34Å; R294-Y299 HydrophobicContact CB-CE1 4.25Å; R294-Y299 HydrophobicContact CG-CE1 4.26Å; R294-Y299 HydrophobicContact CG-CE2 4.45Å; R294-I300 WeakPolarHBondContact O-CG1 3.11Å; R294-E481 IonicContact CZ-OE1 2.7Å; R294-E481 IonicContact CZ-OE2 2.75Å; R294-E481 IonicContact NH1-OE1 3.88Å; R294-E481 IonicContact NH1-OE2 3.65Å; R294-E481 PolarHBondContact NH1-OE2 3.38Å; R294-E481 VanDerWaalsContact NH2-CD 3.31Å; R294-E481 IonicContact NH2-OE1 3.4Å; R294-E481 PolarHBondContact NH2-OE1 2.94Å; R294-E481 IonicContact NH2-OE2 2.76Å; R294-E481 PolarHBondContact NH2-OE2 2.84Å
295	N	87.7	Confident	84.8	Confident	51 Å²	51	40.9 Å²	40.9	27%	0.273	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	1.8	178.1	-58.3	5.3	0	0	0	113.2	D292 C293 Q480 M484	D292-N295 HydrophobicContact CB-CB 4.41Å; C293-N295 VanDerWaalsContact C-N 3.27Å; C293-N295 PolarHBondContact O-N 3.42Å; N295-Q480 PolarHBondContact ND2-NE2 3.25Å; N295-M484 WeakPolarHBondContact OD1-CE 3.22Å
296	R	89.3	Confident	85.7	Confident	64 Å²	64	33.1 Å²	33.1	24%	0.242	19%	0.191	C	C	.	.	S	Bend	trans	-89.6	142.8	-175.2	-58.8	-57	-178.9	153.6	0.4	111.8	D292 C293 R294 W298 Y299 I300 S511	D292-R296 WeakPolarHBondContact O-CG 3.38Å; D292-R296 PolarHBondContact O-NE 2.58Å; C293-R296 WeakPolarHBondContact O-CB 3.45Å; C293-R296 WeakPolarHBondContact O-CG 3.24Å; C293-R296 PolarHBondContact O-N 3.28Å; C293-R296 VanDerWaalsContact O-N 3.16Å; R294-R296 PolarHBondContact O-N 2.89Å; R296-W298 VanDerWaalsContact C-N 3.26Å; R296-W298 HydrophobicContact CB-CD2 4.28Å; R296-W298 HydrophobicContact CB-CG 4.21Å; R296-W298 HydrophobicContact CB-CZ2 4.43Å; R296-W298 HydrophobicContact CG-CZ2 4.49Å; R296-W298 PolarHBondContact O-N 3.04Å; R296-Y299 WeakPolarHBondContact O-CA 3.43Å; R296-Y299 WeakPolarHBondContact O-CB 3.4Å; R296-Y299 PolarHBondContact O-N 3.38Å; R296-I300 PolarHBondContact O-N 2.88Å; R296-S511 PolarHBondContact NH1-OG 3.05Å; R296-S511 PolarHBondContact NH2-OG 3.37Å
297	N	89.3	Confident	86.7	Confident	55 Å²	55	26.2 Å²	26.2	29%	0.294	15%	0.154	S	C	.	.	H	α-helix	trans	-54.4	-41.4	178.4	-66.1	12.9	0	0	0	112.1	Y299 I300 Q301	N297-Y299 VanDerWaalsContact C-N 3.28Å; N297-Y299 PolarHBondContact O-N 2.9Å; N297-I300 PolarHBondContact O-N 2.9Å; N297-Q301 WeakPolarHBondContact O-CB 3.49Å; N297-Q301 VanDerWaalsContact O-CG 3.24Å; N297-Q301 WeakPolarHBondContact O-CG 3.24Å; N297-Q301 PolarHBondContact O-N 2.93Å
298	W	91.6	Very high	87.9	Confident	12 Å²	12	23.6 Å²	23.6	5%	0.045	13%	0.127	C	C	.	.	H	α-helix	trans	-62.7	-33	176.8	62.6	-109.2	0	0	0	113.1	Y265 F273 C293 R296 A302 T505 A528 V547	Y265-W298 AromaticContact CD2-CH2 3.74Å; Y265-W298 HydrophobicContact CD2-CH2 3.74Å; Y265-W298 AromaticContact CD2-CZ2 3.98Å; Y265-W298 HydrophobicContact CD2-CZ2 3.98Å; Y265-W298 HydrophobicContact CD2-CZ3 4.03Å; Y265-W298 AromaticContact CE2-CD2 3.73Å; Y265-W298 HydrophobicContact CE2-CD2 3.73Å; Y265-W298 AromaticContact CE2-CE2 3.66Å; Y265-W298 AromaticContact CE2-CE3 3.64Å; Y265-W298 HydrophobicContact CE2-CE3 3.64Å; Y265-W298 AromaticContact CE2-CH2 3.54Å; Y265-W298 HydrophobicContact CE2-CH2 3.54Å; Y265-W298 AromaticContact CE2-CZ2 3.6Å; Y265-W298 HydrophobicContact CE2-CZ2 3.6Å; Y265-W298 AromaticContact CE2-CZ3 3.54Å; Y265-W298 HydrophobicContact CE2-CZ3 3.54Å; Y265-W298 AromaticContact CZ-CE2 3.93Å; F273-W298 HydrophobicContact CD2-CH2 4.22Å; F273-W298 HydrophobicContact CD2-CZ2 4.24Å; F273-W298 AromaticContact CE2-CH2 3.87Å; F273-W298 HydrophobicContact CE2-CH2 3.87Å; F273-W298 AromaticContact CE2-CZ2 3.65Å; F273-W298 HydrophobicContact CE2-CZ2 3.65Å; C293-W298 HydrophobicContact CB-CH2 4.1Å; C293-W298 HydrophobicContact CB-CZ2 4.12Å; R296-W298 VanDerWaalsContact C-N 3.26Å; R296-W298 HydrophobicContact CB-CD2 4.28Å; R296-W298 HydrophobicContact CB-CG 4.21Å; R296-W298 HydrophobicContact CB-CZ2 4.43Å; R296-W298 HydrophobicContact CG-CZ2 4.49Å; R296-W298 PolarHBondContact O-N 3.04Å; W298-A302 VanDerWaalsContact O-CB 3.26Å; W298-A302 WeakPolarHBondContact O-CB 3.14Å; W298-A302 PolarHBondContact O-N 2.81Å; W298-T505 HydrophobicContact CB-CG2 3.59Å; W298-A528 HydrophobicContact CB-CB 4.29Å; W298-V547 HydrophobicContact CE3-CB 4.34Å; W298-V547 HydrophobicContact CE3-CG1 3.78Å; W298-V547 HydrophobicContact CZ3-CB 3.92Å; W298-V547 HydrophobicContact CZ3-CG1 3.8Å
299	Y	93.3	Very high	89	Confident	3 Å²	3	20.7 Å²	20.7	1%	0.012	11%	0.109	C	C	.	.	H	α-helix	trans	-75.1	-51.6	176.8	-173.4	-80.7	0	0	0	110	A269 C293 R294 R296 N297 Q301 A302 A303 V547	A269-Y299 WeakPolarHBondContact CA-OH 3.5Å; C293-Y299 VanDerWaalsContact O-CB 3.25Å; C293-Y299 WeakPolarHBondContact O-CB 3.04Å; R294-Y299 HydrophobicContact CB-CD1 4.34Å; R294-Y299 HydrophobicContact CB-CE1 4.25Å; R294-Y299 HydrophobicContact CG-CE1 4.26Å; R294-Y299 HydrophobicContact CG-CE2 4.45Å; R296-Y299 WeakPolarHBondContact O-CA 3.43Å; R296-Y299 WeakPolarHBondContact O-CB 3.4Å; R296-Y299 PolarHBondContact O-N 3.38Å; N297-Y299 VanDerWaalsContact C-N 3.28Å; N297-Y299 PolarHBondContact O-N 2.9Å; Y299-Q301 PolarHBondContact O-N 3.39Å; Y299-A302 PolarHBondContact O-N 2.98Å; Y299-A303 HydrophobicContact CD1-CB 4.35Å; Y299-A303 HydrophobicContact CE1-CB 4.16Å; Y299-A303 WeakPolarHBondContact O-CB 3.5Å; Y299-A303 PolarHBondContact O-N 3.25Å; Y299-V547 HydrophobicContact CD2-CB 3.76Å; Y299-V547 HydrophobicContact CD2-CG2 3.75Å; Y299-V547 HydrophobicContact CE2-CB 4.05Å; Y299-V547 HydrophobicContact CE2-CG2 3.84Å; Y299-V547 HydrophobicContact CG-CB 4.43Å; Y299-V547 HydrophobicContact CG-CG2 4.12Å
300	I	92.1	Very high	90.1	Very high	5 Å²	5	19.9 Å²	19.9	3%	0.026	10%	0.104	C	C	.	.	H	α-helix	trans	-63.5	-43.4	-176	-65.3	160.7	0	0	0	111.9	R294 R296 N297 A302 T304 T337 L487	R294-I300 WeakPolarHBondContact O-CG1 3.11Å; R296-I300 PolarHBondContact O-N 2.88Å; N297-I300 PolarHBondContact O-N 2.9Å; I300-A302 VanDerWaalsContact C-N 3.34Å; I300-T304 PolarHBondContact O-N 3.34Å; I300-T304 PolarHBondContact O-OG1 2.92Å; I300-T337 HydrophobicContact CD1-CG2 4.42Å; I300-L487 HydrophobicContact CG1-CD1 4.12Å; I300-L487 HydrophobicContact CG2-CD2 4.13Å
301	Q	90.9	Very high	91.2	Very high	31 Å²	31	14.1 Å²	14.1	15%	0.145	7%	0.069	C	C	.	.	H	α-helix	trans	-70.5	-28.8	179.9	-69.4	179.1	-9	0	0	112.5	N297 Y299 I503	N297-Q301 WeakPolarHBondContact O-CB 3.49Å; N297-Q301 VanDerWaalsContact O-CG 3.24Å; N297-Q301 WeakPolarHBondContact O-CG 3.24Å; N297-Q301 PolarHBondContact O-N 2.93Å; Y299-Q301 PolarHBondContact O-N 3.39Å; Q301-I503 HydrophobicContact CB-CD1 3.73Å; Q301-I503 HydrophobicContact CB-CG1 4.28Å
302	A	91.7	Very high	91.7	Very high	3 Å²	3	13.4 Å²	13.4	3%	0.025	7%	0.066	C	C	.	.	H	α-helix	trans	-82	-34.6	174.7	0	0	0	0	0	112.5	W298 Y299 I300 M494 I503 A528 V547	W298-A302 VanDerWaalsContact O-CB 3.26Å; W298-A302 WeakPolarHBondContact O-CB 3.14Å; W298-A302 PolarHBondContact O-N 2.81Å; Y299-A302 PolarHBondContact O-N 2.98Å; I300-A302 VanDerWaalsContact C-N 3.34Å; A302-M494 WeakPolarHBondContact O-CE 3.49Å; A302-I503 HydrophobicContact CB-CD1 4.23Å; A302-I503 HydrophobicContact CB-CG1 3.7Å; A302-A528 HydrophobicContact CB-CB 4.02Å; A302-V547 HydrophobicContact CB-CB 4.48Å; A302-V547 HydrophobicContact CB-CG1 3.58Å; A302-V547 HydrophobicContact CB-CG2 4Å
303	A	90.3	Very high	92.1	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-79.4	-22.9	-179.3	0	0	0	0	0	113.7	Y299 S491 M494 L544 V547	Y299-A303 HydrophobicContact CD1-CB 4.35Å; Y299-A303 HydrophobicContact CE1-CB 4.16Å; Y299-A303 WeakPolarHBondContact O-CB 3.5Å; Y299-A303 PolarHBondContact O-N 3.25Å; A303-S491 WeakPolarHBondContact O-CB 3.34Å; A303-M494 VanDerWaalsContact O-CE 3.23Å; A303-M494 WeakPolarHBondContact O-CE 3.44Å; A303-L544 HydrophobicContact CB-CD2 3.73Å; A303-V547 HydrophobicContact CB-CG2 4.29Å
304	T	89.6	Confident	92.4	Very high	7 Å²	7	13.4 Å²	13.4	4%	0.043	7%	0.066	C	C	.	.	S	Bend	trans	-140.4	137.6	-174.1	64	0	0	0	0	113.7	I300 L487 L490	I300-T304 PolarHBondContact O-N 3.34Å; I300-T304 PolarHBondContact O-OG1 2.92Å; T304-L487 HydrophobicContact CG2-CB 4.04Å; T304-L487 HydrophobicContact CG2-CD2 3.71Å; T304-L490 HydrophobicContact CG2-CB 3.93Å
305	S	90.3	Very high	92.6	Very high	8 Å²	8	12.7 Å²	12.7	6%	0.056	6%	0.063	C	C	.	.			trans	-71.1	156.4	169.5	-51.2	0	0	0	0	112.1	H1111	S305-H1111 PolarHBondContact OG-N 2.88Å
306	P	92.3	Very high	92.9	Very high	20 Å²	20	10.5 Å²	10.5	13%	0.13	5%	0.052	C	C	.	.			trans	-51.2	147.9	-178.6	-29.2	36	0	0	0	114.7	N341 D342 C413 N414 P1107	P306-N341 HydrophobicContact CB-CB 4.28Å; P306-N341 HydrophobicContact CG-CB 4.13Å; P306-D342 WeakPolarHBondContact CA-OD1 3.48Å; P306-C413 HydrophobicContact CB-CB 4.47Å; P306-C413 VanDerWaalsContact O-CB 3.25Å; P306-C413 WeakPolarHBondContact O-CB 3.41Å; P306-N414 WeakPolarHBondContact O-CB 3.48Å; P306-N414 PolarHBondContact O-N 3.35Å; P306-P1107 HydrophobicContact CG-CG 3.98Å
307	K	92.6	Very high	92.9	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.009	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	138.8	-170.1	49.6	-172.3	178.4	-62.5	0	114.8	V309 L338 D342 F343 N414 Y486 L490	K307-V309 HydrophobicContact CB-CG2 4.06Å; K307-V309 HydrophobicContact CD-CG2 4.09Å; K307-V309 HydrophobicContact CG-CG2 3.94Å; K307-L338 HydrophobicContact CD-CD2 4.46Å; K307-D342 WeakPolarHBondContact CE-OD2 3.47Å; K307-D342 HydrophobicContact CG-CB 4.13Å; K307-D342 VanDerWaalsContact CG-CG 3.47Å; K307-D342 VanDerWaalsContact CG-OD1 3.25Å; K307-D342 WeakPolarHBondContact CG-OD1 3.45Å; K307-D342 PolarHBondContact N-OD1 3.47Å; K307-D342 IonicContact NZ-OD1 3.16Å; K307-D342 IonicContact NZ-OD2 2.7Å; K307-D342 PolarHBondContact NZ-OD2 2.59Å; K307-D342 WeakPolarHBondContact O-CA 3.48Å; K307-D342 WeakPolarHBondContact O-CB 3.32Å; K307-F343 PolarHBondContact O-N 3.43Å; K307-N414 CarbonylContact C-O 3.54Å; K307-N414 WeakPolarHBondContact CA-O 3.45Å; K307-N414 HydrophobicContact CB-CB 3.89Å; K307-Y486 HydrophobicContact CD-CE2 4.17Å; K307-Y486 WeakPolarHBondContact CE-OH 3.32Å; K307-L490 HydrophobicContact CD-CD1 3.79Å
308	D	94.7	Very high	92.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	106.2	169.6	-64.3	-21.2	0	0	0	108.6	L364 L401 S411 L412 N414 Q415 A416	D308-L364 HydrophobicContact CB-CD1 3.89Å; D308-L401 HydrophobicContact CB-CD2 4.18Å; D308-S411 VanDerWaalsContact OD1-CB 3.26Å; D308-S411 WeakPolarHBondContact OD1-CB 3.48Å; D308-S411 PolarHBondContact OD1-N 3.24Å; D308-S411 PolarHBondContact OD1-OG 3.06Å; D308-S411 PolarHBondContact OD2-N 3.12Å; D308-S411 PolarHBondContact OD2-OG 3.21Å; D308-L412 PolarHBondContact OD2-N 3.07Å; D308-N414 PolarHBondContact N-O 3.24Å; D308-Q415 HydrophobicContact CB-CG 4.42Å; D308-A416 PolarHBondContact O-N 3.29Å
309	V	95.3	Very high	92.9	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	129.1	-170.3	-175.2	0	0	0	0	111.4	K307 I311 L338 F343 V344 N345 A416 M418	K307-V309 HydrophobicContact CB-CG2 4.06Å; K307-V309 HydrophobicContact CD-CG2 4.09Å; K307-V309 HydrophobicContact CG-CG2 3.94Å; V309-I311 HydrophobicContact CG1-CG1 4.09Å; V309-L338 HydrophobicContact CG2-CD2 4.22Å; V309-F343 PolarHBondContact N-O 2.04Å; V309-V344 VanDerWaalsContact O-CA 3.29Å; V309-V344 WeakPolarHBondContact O-CA 3.33Å; V309-N345 PolarHBondContact O-N 2.73Å; V309-N345 VanDerWaalsContact O-N 3.17Å; V309-A416 WeakPolarHBondContact CA-O 3.33Å; V309-A416 HydrophobicContact CG2-CB 4.46Å; V309-M418 HydrophobicContact CG1-CE 3.99Å; V309-M418 HydrophobicContact CG1-CG 4.05Å; V309-M418 HydrophobicContact CG1-SD 3.68Å
310	I	96.6	Very high	92.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	117.7	165.4	-60.3	-174.8	0	0	0	109.6	V312 N345 I347 L364 S397 V400 L401 A416 I417 M418	I310-V312 HydrophobicContact CG2-CG2 3.92Å; I310-N345 WeakPolarHBondContact CA-O 3.44Å; I310-I347 HydrophobicContact CG2-CD1 3.75Å; I310-I347 HydrophobicContact CG2-CG1 4.05Å; I310-L364 HydrophobicContact CD1-CD2 4.25Å; I310-L364 HydrophobicContact CG1-CD2 3.92Å; I310-S397 VanDerWaalsContact CD1-O 3.31Å; I310-S397 WeakPolarHBondContact CD1-O 3.28Å; I310-V400 HydrophobicContact CD1-CB 3.74Å; I310-V400 HydrophobicContact CD1-CG1 3.81Å; I310-L401 HydrophobicContact CD1-CD1 4.45Å; I310-L401 HydrophobicContact CD1-CD2 4.08Å; I310-L401 HydrophobicContact CD1-CG 3.75Å; I310-L401 HydrophobicContact CG1-CD2 4.1Å; I310-L401 HydrophobicContact CG1-CG 4.22Å; I310-A416 PolarHBondContact N-O 2.85Å; I310-I417 WeakPolarHBondContact O-CA 3.26Å; I310-M418 PolarHBondContact O-N 3.11Å
311	I	97.2	Very high	92.6	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	116.6	176.2	-55.5	177.6	0	0	0	108.2	V309 I331 I334 L335 V344 N345 I346 I347 I420	V309-I311 HydrophobicContact CG1-CG1 4.09Å; I311-I331 HydrophobicContact CD1-CG2 4.46Å; I311-I331 HydrophobicContact CG2-CG1 4.06Å; I311-I334 HydrophobicContact CD1-CB 4.43Å; I311-I334 HydrophobicContact CD1-CG2 3.66Å; I311-I334 HydrophobicContact CG1-CG2 4.31Å; I311-L335 HydrophobicContact CD1-CD2 4.28Å; I311-L335 HydrophobicContact CD1-CG 4.49Å; I311-V344 HydrophobicContact CD1-CG2 4.07Å; I311-V344 HydrophobicContact CG1-CG2 4.31Å; I311-N345 PolarHBondContact N-O 3.49Å; I311-I346 HydrophobicContact CB-CG1 4.32Å; I311-I346 HydrophobicContact CB-CG2 4.21Å; I311-I346 HydrophobicContact CD1-CG1 4.37Å; I311-I346 HydrophobicContact CG2-CG2 4.29Å; I311-I346 WeakPolarHBondContact O-CA 3.41Å; I311-I347 PolarHBondContact O-N 3.48Å; I311-I420 HydrophobicContact CG2-CD1 3.85Å
312	V	96.3	Very high	92.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	104.9	-176.9	-177.1	0	0	0	0	108.7	I310 I347 Y349 A393 S397 I417 M418 L419 I420	I310-V312 HydrophobicContact CG2-CG2 3.92Å; V312-I347 CarbonylContact C-O 3.32Å; V312-I347 WeakPolarHBondContact CA-O 3.26Å; V312-Y349 HydrophobicContact CG1-CD1 3.57Å; V312-Y349 HydrophobicContact CG1-CE1 3.75Å; V312-A393 HydrophobicContact CG1-CB 3.76Å; V312-S397 VanDerWaalsContact CG2-OG 3.28Å; V312-S397 WeakPolarHBondContact CG2-OG 3.45Å; V312-I417 HydrophobicContact CG2-CG2 3.78Å; V312-M418 PolarHBondContact N-O 3.03Å; V312-L419 HydrophobicContact CB-CD1 4.17Å; V312-L419 HydrophobicContact CG1-CD1 3.85Å; V312-I420 PolarHBondContact O-N 3.29Å
313	V	95.6	Very high	92.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	129.5	-174.9	59.9	0	0	0	0	112.4	A327 I331 I346 I347 A348 Y349 L382	V313-A327 HydrophobicContact CG2-CB 4.45Å; V313-I331 HydrophobicContact CB-CD1 3.91Å; V313-I331 HydrophobicContact CG1-CD1 4.22Å; V313-I331 HydrophobicContact CG2-CD1 3.8Å; V313-I346 HydrophobicContact CG1-CG2 4.36Å; V313-I347 PolarHBondContact N-O 3.35Å; V313-A348 HydrophobicContact CG1-CB 3.8Å; V313-A348 WeakPolarHBondContact O-CA 3.43Å; V313-Y349 VanDerWaalsContact O-CD1 3.23Å; V313-Y349 WeakPolarHBondContact O-CD1 3.49Å; V313-Y349 PolarHBondContact O-N 2.98Å; V313-L382 HydrophobicContact CG1-CD1 4.36Å
314	D	94.6	Very high	92.8	Very high	4 Å²	4	25.3 Å²	25.3	2%	0.021	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	129.2	170	-163.7	7.6	0	0	0	111.5	S316 M319 Y349 I420	D314-S316 VanDerWaalsContact CG-OG 3.26Å; D314-S316 WeakPolarHBondContact OD1-CB 3.24Å; D314-S316 PolarHBondContact OD1-N 3.35Å; D314-S316 PolarHBondContact OD1-OG 3.15Å; D314-S316 WeakPolarHBondContact OD2-CB 3.43Å; D314-S316 PolarHBondContact OD2-OG 3.48Å; D314-M319 HydrophobicContact CB-CG 3.93Å; D314-M319 HydrophobicContact CB-SD 4.47Å; D314-Y349 HydrophobicContact CB-CE1 3.88Å; D314-Y349 HydrophobicContact CB-CE2 4.17Å; D314-Y349 WeakPolarHBondContact CB-OH 3.4Å; D314-I420 PolarHBondContact N-O 3.47Å
315	V	94.6	Very high	93	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.006	17%	0.17	C	C	.	.			trans	-121	23.3	169.9	-63.2	0	0	0	0	112	A348 Y349 V384 R385	V315-A348 HydrophobicContact CG1-CB 4.03Å; V315-A348 HydrophobicContact CG2-CB 4.13Å; V315-Y349 VanDerWaalsContact CG2-O 3.23Å; V315-Y349 WeakPolarHBondContact CG2-O 3.46Å; V315-Y349 PolarHBondContact N-O 2.91Å; V315-V384 CarbonylContact O-C 3.52Å; V315-V384 VanDerWaalsContact O-CA 3.26Å; V315-V384 WeakPolarHBondContact O-CA 3.27Å; V315-R385 PolarHBondContact O-N 2.93Å
316	S	92.9	Very high	93.1	Very high	5 Å²	5	28.2 Å²	28.2	4%	0.035	17%	0.168	C	C	.	.	S	Bend	trans	-64.4	165.3	173.4	76.7	0	0	0	0	113.9	D314 S318 M319 V384 G386 G388	D314-S316 VanDerWaalsContact CG-OG 3.26Å; D314-S316 WeakPolarHBondContact OD1-CB 3.24Å; D314-S316 PolarHBondContact OD1-N 3.35Å; D314-S316 PolarHBondContact OD1-OG 3.15Å; D314-S316 WeakPolarHBondContact OD2-CB 3.43Å; D314-S316 PolarHBondContact OD2-OG 3.48Å; S316-S318 PolarHBondContact O-N 2.55Å; S316-S318 VanDerWaalsContact O-N 3.14Å; S316-S318 PolarHBondContact OG-OG 2.97Å; S316-M319 PolarHBondContact O-N 3.38Å; S316-V384 WeakPolarHBondContact O-CG1 3.46Å; S316-G386 WeakPolarHBondContact CA-O 3.34Å; S316-G388 VanDerWaalsContact CB-N 3.31Å
317	G	89.9	Confident	93.3	Very high	44 Å²	44	27.2 Å²	27.2	45%	0.454	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-50.9	-33	-179.4	0	0	0	0	0	116	K320 V384 G386	G317-K320 WeakPolarHBondContact O-CB 3.26Å; G317-V384 VanDerWaalsContact CA-CG1 3.5Å; G317-G386 PolarHBondContact N-O 3.46Å
318	S	87.9	Confident	93.4	Very high	59 Å²	59	28.9 Å²	28.9	41%	0.413	17%	0.169	S	C	.	.	G	3₁₀ helix	trans	-72.2	-29.5	-176.9	53.8	0	0	0	0	112.9	S316 K320 D422	S316-S318 PolarHBondContact O-N 2.55Å; S316-S318 VanDerWaalsContact O-N 3.14Å; S316-S318 PolarHBondContact OG-OG 2.97Å; S318-K320 PolarHBondContact O-N 2.86Å; S318-D422 VanDerWaalsContact C-OD2 3.3Å; S318-D422 WeakPolarHBondContact CB-OD2 3.25Å; S318-D422 PolarHBondContact OG-OD1 2.93Å; S318-D422 PolarHBondContact OG-OD2 3.19Å
319	M	91.4	Very high	93.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-68.4	-2.5	178.5	-65.9	-65.5	-78	0	0	114.1	D314 S316 G321 R323 L324 A327 V384 D422	D314-M319 HydrophobicContact CB-CG 3.93Å; D314-M319 HydrophobicContact CB-SD 4.47Å; S316-M319 PolarHBondContact O-N 3.38Å; M319-G321 PolarHBondContact O-N 3.01Å; M319-R323 HydrophobicContact CE-CB 4.39Å; M319-R323 HydrophobicContact SD-CB 4.01Å; M319-L324 WeakPolarHBondContact O-CB 3.43Å; M319-L324 PolarHBondContact O-N 3.32Å; M319-A327 HydrophobicContact CE-CB 3.74Å; M319-V384 HydrophobicContact CB-CG2 4.28Å; M319-D422 HydrophobicContact SD-CB 3.63Å; M319-D422 VanDerWaalsContact SD-CG 3.55Å
320	K	90.6	Very high	93.3	Very high	171 Å²	171	32.6 Å²	32.6	74%	0.743	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	131.1	-174.8	-172.4	-178.7	178.9	-174.9	0	112.9	G317 S318 V384	G317-K320 WeakPolarHBondContact O-CB 3.26Å; S318-K320 PolarHBondContact O-N 2.86Å; K320-V384 HydrophobicContact CB-CG1 4.47Å; K320-V384 HydrophobicContact CB-CG2 4.36Å
321	G	90.5	Very high	93.2	Very high	45 Å²	45	32.6 Å²	32.6	46%	0.464	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	-130.9	177.3	0	0	0	0	0	111.6	M319 R323 L324 T325	M319-G321 PolarHBondContact O-N 3.01Å; G321-R323 VanDerWaalsContact C-N 3.29Å; G321-R323 PolarHBondContact O-N 2.78Å; G321-L324 PolarHBondContact O-N 3.11Å; G321-T325 PolarHBondContact O-N 3.47Å; G321-T325 PolarHBondContact O-OG1 2.84Å
322	L	90.4	Very high	93.1	Very high	97 Å²	97	34 Å²	34	51%	0.508	19%	0.194	S	C	.	.	H	α-helix	trans	-59.8	-35.5	-172.9	-177.3	62.6	0	0	0	113.2	T325 I326	L322-T325 WeakPolarHBondContact O-CB 3.37Å; L322-T325 PolarHBondContact O-N 2.98Å; L322-T325 VanDerWaalsContact O-N 3.14Å; L322-I326 HydrophobicContact CD1-CD1 4.32Å; L322-I326 HydrophobicContact CD1-CG1 4.26Å; L322-I326 HydrophobicContact CD2-CD1 4.41Å; L322-I326 HydrophobicContact CG-CD1 3.92Å; L322-I326 HydrophobicContact CG-CG1 4.29Å; L322-I326 WeakPolarHBondContact O-CG1 3.42Å; L322-I326 PolarHBondContact O-N 2.85Å
323	R	92	Very high	92.9	Very high	52 Å²	52	34.9 Å²	34.9	20%	0.196	20%	0.199	C	C	.	.	H	α-helix	trans	-59.2	-50.1	-179.4	-65	-178.1	-173.2	-173.3	-2.1	111.5	M319 G321 T325 I326 A327 D422 I449 E452	M319-R323 HydrophobicContact CE-CB 4.39Å; M319-R323 HydrophobicContact SD-CB 4.01Å; G321-R323 VanDerWaalsContact C-N 3.29Å; G321-R323 PolarHBondContact O-N 2.78Å; R323-T325 VanDerWaalsContact C-N 3.32Å; R323-T325 PolarHBondContact O-N 3.04Å; R323-I326 PolarHBondContact O-N 2.88Å; R323-A327 WeakPolarHBondContact O-CB 3.07Å; R323-A327 PolarHBondContact O-N 3.15Å; R323-D422 VanDerWaalsContact CD-OD2 3.31Å; R323-D422 WeakPolarHBondContact CD-OD2 3.3Å; R323-D422 IonicContact CZ-OD2 3.8Å; R323-D422 IonicContact NE-OD2 3.01Å; R323-D422 IonicContact NH1-OD2 2.72Å; R323-D422 PolarHBondContact NH1-OD2 2.92Å; R323-I449 HydrophobicContact CB-CG2 3.99Å; R323-I449 HydrophobicContact CG-CG2 4.33Å; R323-I449 WeakPolarHBondContact O-CG2 3.48Å; R323-E452 IonicContact CZ-OE2 2.77Å; R323-E452 IonicContact NH2-OE1 3.61Å; R323-E452 PolarHBondContact NH2-OE1 2.8Å; R323-E452 IonicContact NH2-OE2 2.72Å; R323-E452 PolarHBondContact NH2-OE2 2.83Å
324	L	93.3	Very high	92.9	Very high	17 Å²	17	34.9 Å²	34.9	9%	0.089	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-34.3	174.7	-179.3	63.2	0	0	0	112.5	M319 G321 A327 K328 V384	M319-L324 WeakPolarHBondContact O-CB 3.43Å; M319-L324 PolarHBondContact O-N 3.32Å; G321-L324 PolarHBondContact O-N 3.11Å; L324-A327 PolarHBondContact O-N 2.96Å; L324-K328 HydrophobicContact CD1-CG 4.29Å; L324-K328 HydrophobicContact CG-CD 4.39Å; L324-K328 HydrophobicContact CG-CG 4.42Å; L324-K328 VanDerWaalsContact O-CG 3.32Å; L324-K328 WeakPolarHBondContact O-CG 3.48Å; L324-K328 PolarHBondContact O-N 3.12Å; L324-V384 HydrophobicContact CD2-CG2 3.95Å
325	T	93.6	Very high	92.9	Very high	74 Å²	74	34.7 Å²	34.7	45%	0.454	20%	0.198	S	C	.	.	H	α-helix	trans	-64.7	-42.7	175.4	-55.7	0	0	0	0	111.7	G321 L322 R323 H329	G321-T325 PolarHBondContact O-N 3.47Å; G321-T325 PolarHBondContact O-OG1 2.84Å; L322-T325 WeakPolarHBondContact O-CB 3.37Å; L322-T325 PolarHBondContact O-N 2.98Å; L322-T325 VanDerWaalsContact O-N 3.14Å; R323-T325 VanDerWaalsContact C-N 3.32Å; R323-T325 PolarHBondContact O-N 3.04Å; T325-H329 PolarHBondContact O-N 2.89Å; T325-H329 VanDerWaalsContact O-N 3.1Å
326	I	93.9	Very high	92.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-47.9	172.2	-64.9	169.2	0	0	0	109.4	L322 R323 K328 H329 T330 I449 V473 L476 V479	L322-I326 HydrophobicContact CD1-CD1 4.32Å; L322-I326 HydrophobicContact CD1-CG1 4.26Å; L322-I326 HydrophobicContact CD2-CD1 4.41Å; L322-I326 HydrophobicContact CG-CD1 3.92Å; L322-I326 HydrophobicContact CG-CG1 4.29Å; L322-I326 WeakPolarHBondContact O-CG1 3.42Å; L322-I326 PolarHBondContact O-N 2.85Å; R323-I326 PolarHBondContact O-N 2.88Å; I326-K328 PolarHBondContact O-N 2.98Å; I326-H329 CarbonylContact O-C 3.53Å; I326-H329 WeakPolarHBondContact O-CA 3.31Å; I326-H329 WeakPolarHBondContact O-CB 3.36Å; I326-H329 PolarHBondContact O-N 2.76Å; I326-T330 PolarHBondContact O-N 2.75Å; I326-T330 PolarHBondContact O-OG1 3.33Å; I326-T330 VanDerWaalsContact O-OG1 3.05Å; I326-I449 HydrophobicContact CB-CG2 3.98Å; I326-I449 HydrophobicContact CG2-CD1 4.08Å; I326-I449 HydrophobicContact CG2-CG1 4.32Å; I326-I449 HydrophobicContact CG2-CG2 3.96Å; I326-V473 HydrophobicContact CG2-CB 4.43Å; I326-V473 HydrophobicContact CG2-CG1 3.54Å; I326-L476 HydrophobicContact CB-CD2 4.39Å; I326-L476 HydrophobicContact CG1-CD2 3.88Å; I326-L476 HydrophobicContact CG1-CG 4.18Å; I326-V479 HydrophobicContact CG2-CG2 4.18Å
327	A	94.6	Very high	92.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.6	-43.9	179.6	0	0	0	0	0	112.9	V313 M319 R323 L324 H329 T330 I331 I420 I449	V313-A327 HydrophobicContact CG2-CB 4.45Å; M319-A327 HydrophobicContact CE-CB 3.74Å; R323-A327 WeakPolarHBondContact O-CB 3.07Å; R323-A327 PolarHBondContact O-N 3.15Å; L324-A327 PolarHBondContact O-N 2.96Å; A327-H329 VanDerWaalsContact C-N 3.33Å; A327-H329 PolarHBondContact O-N 2.98Å; A327-T330 PolarHBondContact O-N 2.88Å; A327-I331 WeakPolarHBondContact O-CD1 3.27Å; A327-I331 WeakPolarHBondContact O-CG1 3.28Å; A327-I331 PolarHBondContact O-N 2.98Å; A327-I420 HydrophobicContact CB-CG2 3.94Å; A327-I449 VanDerWaalsContact CA-CD1 3.4Å; A327-I449 HydrophobicContact CB-CD1 3.57Å
328	K	95.1	Very high	92.7	Very high	36 Å²	36	35.7 Å²	35.7	16%	0.157	19%	0.193	C	C	.	.	H	α-helix	trans	-60.8	-42.3	173.8	-72.6	178.9	-179.4	-168.5	0	111.7	L324 I326 I331 N332 V379 D380 L382	L324-K328 HydrophobicContact CD1-CG 4.29Å; L324-K328 HydrophobicContact CG-CD 4.39Å; L324-K328 HydrophobicContact CG-CG 4.42Å; L324-K328 VanDerWaalsContact O-CG 3.32Å; L324-K328 WeakPolarHBondContact O-CG 3.48Å; L324-K328 PolarHBondContact O-N 3.12Å; I326-K328 PolarHBondContact O-N 2.98Å; K328-I331 PolarHBondContact O-N 3.44Å; K328-N332 PolarHBondContact O-N 2.96Å; K328-N332 PolarHBondContact O-OD1 2.94Å; K328-V379 HydrophobicContact CB-CG1 4.02Å; K328-V379 WeakPolarHBondContact CD-O 3.49Å; K328-V379 WeakPolarHBondContact CE-O 3.48Å; K328-V379 HydrophobicContact CG-CG1 3.88Å; K328-V379 PolarHBondContact NZ-O 3.25Å; K328-D380 PolarHBondContact NZ-O 2.68Å; K328-L382 WeakPolarHBondContact CE-O 3.46Å; K328-L382 PolarHBondContact NZ-O 2.75Å
329	H	93.8	Very high	92.7	Very high	79 Å²	79	33.2 Å²	33.2	37%	0.366	18%	0.176	S	C	.	.	H	α-helix	trans	-64.8	-47	176.8	-166.1	29.6	0	0	0	111.6	T325 I326 A327 I331 N332 T333 L476	T325-H329 PolarHBondContact O-N 2.89Å; T325-H329 VanDerWaalsContact O-N 3.1Å; I326-H329 CarbonylContact O-C 3.53Å; I326-H329 WeakPolarHBondContact O-CA 3.31Å; I326-H329 WeakPolarHBondContact O-CB 3.36Å; I326-H329 PolarHBondContact O-N 2.76Å; A327-H329 VanDerWaalsContact C-N 3.33Å; A327-H329 PolarHBondContact O-N 2.98Å; H329-I331 VanDerWaalsContact C-N 3.34Å; H329-I331 PolarHBondContact O-N 2.8Å; H329-N332 PolarHBondContact O-N 2.85Å; H329-N332 VanDerWaalsContact O-N 3.1Å; H329-T333 PolarHBondContact O-N 2.91Å; H329-T333 PolarHBondContact O-OG1 2.99Å; H329-T333 VanDerWaalsContact O-OG1 3.1Å; H329-L476 HydrophobicContact CB-CD2 3.75Å
330	T	94.4	Very high	92.4	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-56.3	-44.1	174.9	-53.9	0	0	0	0	112	I326 A327 T333 I334 I420 Y447 V483	I326-T330 PolarHBondContact O-N 2.75Å; I326-T330 PolarHBondContact O-OG1 3.33Å; I326-T330 VanDerWaalsContact O-OG1 3.05Å; A327-T330 PolarHBondContact O-N 2.88Å; T330-T333 PolarHBondContact O-N 3.33Å; T330-I334 HydrophobicContact CG2-CD1 3.91Å; T330-I334 WeakPolarHBondContact O-CB 3.46Å; T330-I334 VanDerWaalsContact O-CG1 3.26Å; T330-I334 WeakPolarHBondContact O-CG1 3.45Å; T330-I334 PolarHBondContact O-N 2.75Å; T330-I420 HydrophobicContact CG2-CD1 4.22Å; T330-Y447 HydrophobicContact CG2-CD1 4.19Å; T330-Y447 HydrophobicContact CG2-CG 4.37Å; T330-V483 HydrophobicContact CG2-CG2 3.9Å
331	I	95.7	Very high	92.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-44.4	175.4	-65.8	162.8	0	0	0	110.9	I311 V313 A327 K328 H329 T333 I334 L335 I346 V379 I420	I311-I331 HydrophobicContact CD1-CG2 4.46Å; I311-I331 HydrophobicContact CG2-CG1 4.06Å; V313-I331 HydrophobicContact CB-CD1 3.91Å; V313-I331 HydrophobicContact CG1-CD1 4.22Å; V313-I331 HydrophobicContact CG2-CD1 3.8Å; A327-I331 WeakPolarHBondContact O-CD1 3.27Å; A327-I331 WeakPolarHBondContact O-CG1 3.28Å; A327-I331 PolarHBondContact O-N 2.98Å; K328-I331 PolarHBondContact O-N 3.44Å; H329-I331 VanDerWaalsContact C-N 3.34Å; H329-I331 PolarHBondContact O-N 2.8Å; I331-T333 PolarHBondContact O-N 3.18Å; I331-I334 PolarHBondContact O-N 3.39Å; I331-L335 HydrophobicContact CG2-CD1 4Å; I331-L335 HydrophobicContact CG2-CG 4.31Å; I331-L335 WeakPolarHBondContact O-CB 3.35Å; I331-L335 VanDerWaalsContact O-CG 3.3Å; I331-L335 WeakPolarHBondContact O-CG 3.44Å; I331-L335 PolarHBondContact O-N 3.45Å; I331-I346 HydrophobicContact CG2-CD1 4.01Å; I331-V379 HydrophobicContact CB-CG1 4.19Å; I331-V379 HydrophobicContact CD1-CG1 4.23Å; I331-V379 HydrophobicContact CG2-CG1 4.1Å; I331-V379 HydrophobicContact CG2-CG2 3.71Å; I331-I420 HydrophobicContact CD1-CD1 4.37Å; I331-I420 HydrophobicContact CG1-CD1 3.54Å
332	N	94.6	Very high	92.4	Very high	29 Å²	29	24.5 Å²	24.5	16%	0.155	13%	0.127	C	C	.	.	H	α-helix	trans	-64.1	-41.3	179.1	-68.1	-7.9	0	0	0	111.3	K328 H329 L335 D336	K328-N332 PolarHBondContact O-N 2.96Å; K328-N332 PolarHBondContact O-OD1 2.94Å; H329-N332 PolarHBondContact O-N 2.85Å; H329-N332 VanDerWaalsContact O-N 3.1Å; N332-L335 PolarHBondContact O-N 2.85Å; N332-D336 PolarHBondContact O-N 2.82Å
333	T	92.4	Very high	92.6	Very high	19 Å²	19	20 Å²	20	12%	0.117	10%	0.103	C	C	.	.	H	α-helix	trans	-64.1	-42.3	174.6	-54.6	0	0	0	0	112.1	H329 T330 I331 D336 T337 V479 V483 M484	H329-T333 PolarHBondContact O-N 2.91Å; H329-T333 PolarHBondContact O-OG1 2.99Å; H329-T333 VanDerWaalsContact O-OG1 3.1Å; T330-T333 PolarHBondContact O-N 3.33Å; I331-T333 PolarHBondContact O-N 3.18Å; T333-D336 PolarHBondContact O-N 2.99Å; T333-D336 VanDerWaalsContact O-N 3.11Å; T333-T337 PolarHBondContact O-N 3.27Å; T333-V479 HydrophobicContact CG2-CG1 4.37Å; T333-V483 HydrophobicContact CG2-CB 3.98Å; T333-V483 HydrophobicContact CG2-CG1 3.98Å; T333-V483 HydrophobicContact CG2-CG2 4.2Å; T333-M484 HydrophobicContact CG2-CE 4.41Å
334	I	94.6	Very high	92.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.6	-44.6	173.6	-70.5	164.1	0	0	0	110.7	I311 T330 I331 D336 T337 L338 M418 I420 Y447 V483	I311-I334 HydrophobicContact CD1-CB 4.43Å; I311-I334 HydrophobicContact CD1-CG2 3.66Å; I311-I334 HydrophobicContact CG1-CG2 4.31Å; T330-I334 HydrophobicContact CG2-CD1 3.91Å; T330-I334 WeakPolarHBondContact O-CB 3.46Å; T330-I334 VanDerWaalsContact O-CG1 3.26Å; T330-I334 WeakPolarHBondContact O-CG1 3.45Å; T330-I334 PolarHBondContact O-N 2.75Å; I331-I334 PolarHBondContact O-N 3.39Å; I334-D336 PolarHBondContact O-N 3.5Å; I334-T337 PolarHBondContact O-N 3.07Å; I334-T337 VanDerWaalsContact O-N 3.11Å; I334-T337 PolarHBondContact O-OG1 2.8Å; I334-L338 WeakPolarHBondContact O-CG 3.26Å; I334-M418 HydrophobicContact CD1-SD 3.99Å; I334-M418 HydrophobicContact CG1-SD 4.29Å; I334-M418 HydrophobicContact CG2-CE 4.39Å; I334-M418 HydrophobicContact CG2-SD 3.52Å; I334-M418 VanDerWaalsContact CG2-SD 3.52Å; I334-I420 HydrophobicContact CD1-CD1 4.05Å; I334-Y447 HydrophobicContact CD1-CE2 4.03Å; I334-V483 HydrophobicContact CG1-CG1 3.7Å; I334-V483 HydrophobicContact CG1-CG2 4.08Å
335	L	93.9	Very high	92.8	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.9	-26	175.2	-72.7	172.8	0	0	0	111.9	I311 I331 N332 L338 V344 I346 R372 F375 K376	I311-L335 HydrophobicContact CD1-CD2 4.28Å; I311-L335 HydrophobicContact CD1-CG 4.49Å; I331-L335 HydrophobicContact CG2-CD1 4Å; I331-L335 HydrophobicContact CG2-CG 4.31Å; I331-L335 WeakPolarHBondContact O-CB 3.35Å; I331-L335 VanDerWaalsContact O-CG 3.3Å; I331-L335 WeakPolarHBondContact O-CG 3.44Å; I331-L335 PolarHBondContact O-N 3.45Å; N332-L335 PolarHBondContact O-N 2.85Å; L335-L338 HydrophobicContact CD2-CD1 4.18Å; L335-V344 HydrophobicContact CD2-CG1 4.46Å; L335-V344 HydrophobicContact CD2-CG2 4.2Å; L335-I346 HydrophobicContact CD1-CD1 4.12Å; L335-I346 HydrophobicContact CD2-CD1 4.34Å; L335-R372 VanDerWaalsContact O-CZ 3.25Å; L335-R372 PolarHBondContact O-NE 2.91Å; L335-R372 PolarHBondContact O-NH2 2.82Å; L335-F375 HydrophobicContact CD1-CB 3.9Å; L335-K376 HydrophobicContact CD1-CG 4.02Å
336	D	90.7	Very high	92.9	Very high	67 Å²	67	13.2 Å²	13.2	36%	0.358	7%	0.068	S	C	.	.	H	α-helix	trans	-79.2	-16.6	176.4	-75.3	-32.3	0	0	0	114.6	N332 T333 I334 R372 K376	N332-D336 PolarHBondContact O-N 2.82Å; T333-D336 PolarHBondContact O-N 2.99Å; T333-D336 VanDerWaalsContact O-N 3.11Å; I334-D336 PolarHBondContact O-N 3.5Å; D336-R372 IonicContact OD1-NH2 2.8Å; D336-R372 PolarHBondContact OD1-NH2 2.85Å; D336-K376 VanDerWaalsContact CG-NZ 3.3Å; D336-K376 WeakPolarHBondContact OD1-CE 3.49Å; D336-K376 IonicContact OD1-NZ 2.73Å; D336-K376 PolarHBondContact OD1-NZ 3.03Å; D336-K376 IonicContact OD2-NZ 2.72Å; D336-K376 PolarHBondContact OD2-NZ 2.9Å; D336-K376 VanDerWaalsContact OD2-NZ 3.16Å
337	T	91.9	Very high	92.9	Very high	3 Å²	3	13.1 Å²	13.1	2%	0.018	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	5.5	172	59.8	0	0	0	0	114.4	I300 T333 I334 M484 Y486	I300-T337 HydrophobicContact CD1-CG2 4.42Å; T333-T337 PolarHBondContact O-N 3.27Å; I334-T337 PolarHBondContact O-N 3.07Å; I334-T337 VanDerWaalsContact O-N 3.11Å; I334-T337 PolarHBondContact O-OG1 2.8Å; T337-M484 HydrophobicContact CG2-CE 3.31Å; T337-M484 HydrophobicContact CG2-SD 3.65Å; T337-Y486 VanDerWaalsContact CB-OH 3.27Å; T337-Y486 WeakPolarHBondContact CB-OH 3.49Å; T337-Y486 PolarHBondContact OG1-OH 3.04Å
338	L	91.8	Very high	93	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.005	7%	0.068	C	C	.	.			trans	-93.5	127.9	176.4	-57.4	-172.5	0	0	0	111.6	K307 V309 I334 L335 D342 V344 A367 R372	K307-L338 HydrophobicContact CD-CD2 4.46Å; V309-L338 HydrophobicContact CG2-CD2 4.22Å; I334-L338 WeakPolarHBondContact O-CG 3.26Å; L335-L338 HydrophobicContact CD2-CD1 4.18Å; L338-D342 HydrophobicContact CB-CB 4.41Å; L338-V344 HydrophobicContact CD1-CB 3.67Å; L338-V344 HydrophobicContact CD1-CG1 4.1Å; L338-V344 HydrophobicContact CD1-CG2 3.76Å; L338-A367 HydrophobicContact CB-CB 3.71Å; L338-A367 HydrophobicContact CD1-CB 4.04Å; L338-R372 PolarHBondContact O-NH1 2.59Å
339	G	87.6	Confident	92.9	Very high	6 Å²	6	11.5 Å²	11.5	6%	0.062	6%	0.061	C	C	.	.			trans	-91.9	171.2	174.3	0	0	0	0	0	112.6	N341 D342	G339-N341 PolarHBondContact O-N 3.06Å; G339-D342 PolarHBondContact N-OD2 2.85Å; G339-D342 VanDerWaalsContact O-CB 3.27Å; G339-D342 WeakPolarHBondContact O-CB 3.2Å; G339-D342 PolarHBondContact O-N 3.31Å
340	E	85.8	Confident	92.9	Very high	4 Å²	4	7.9 Å²	7.9	2%	0.019	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.5	-174.8	-64.7	168.3	-168.2	0	0	113.1	D342 Q366 E506 Y580 N604	E340-D342 VanDerWaalsContact C-N 3.32Å; E340-Q366 WeakPolarHBondContact O-CG 3.32Å; E340-Q366 PolarHBondContact O-NE2 2.76Å; E340-Q366 VanDerWaalsContact O-NE2 3.16Å; E340-E506 WeakPolarHBondContact OE2-CG 3.36Å; E340-Y580 HydrophobicContact CB-CE2 4.2Å; E340-Y580 HydrophobicContact CG-CE2 4.46Å; E340-Y580 WeakPolarHBondContact OE2-CD2 3.47Å; E340-Y580 WeakPolarHBondContact OE2-CE2 3.29Å; E340-N604 PolarHBondContact OE1-ND2 3.27Å
341	N	88.9	Confident	92.6	Very high	22 Å²	22	11 Å²	11	12%	0.118	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-10.1	171.1	-68.7	-50.3	0	0	0	113.9	P306 G339 N578	P306-N341 HydrophobicContact CB-CB 4.28Å; P306-N341 HydrophobicContact CG-CB 4.13Å; G339-N341 PolarHBondContact O-N 3.06Å; N341-N578 PolarHBondContact OD1-ND2 2.95Å; N341-N578 VanDerWaalsContact OD1-ND2 3.15Å
342	D	92	Very high	92.2	Very high	8 Å²	8	16.3 Å²	16.3	4%	0.043	8%	0.082	C	C	.	.			trans	-90.3	157.3	-177.7	-59.4	-31.6	0	0	0	112	P306 K307 L338 G339 E340 A367	P306-D342 WeakPolarHBondContact CA-OD1 3.48Å; K307-D342 WeakPolarHBondContact CE-OD2 3.47Å; K307-D342 HydrophobicContact CG-CB 4.13Å; K307-D342 VanDerWaalsContact CG-CG 3.47Å; K307-D342 VanDerWaalsContact CG-OD1 3.25Å; K307-D342 WeakPolarHBondContact CG-OD1 3.45Å; K307-D342 PolarHBondContact N-OD1 3.47Å; K307-D342 IonicContact NZ-OD1 3.16Å; K307-D342 IonicContact NZ-OD2 2.7Å; K307-D342 PolarHBondContact NZ-OD2 2.59Å; K307-D342 WeakPolarHBondContact O-CA 3.48Å; K307-D342 WeakPolarHBondContact O-CB 3.32Å; L338-D342 HydrophobicContact CB-CB 4.41Å; G339-D342 PolarHBondContact N-OD2 2.85Å; G339-D342 VanDerWaalsContact O-CB 3.27Å; G339-D342 WeakPolarHBondContact O-CB 3.2Å; G339-D342 PolarHBondContact O-N 3.31Å; E340-D342 VanDerWaalsContact C-N 3.32Å; D342-A367 HydrophobicContact CB-CB 4.27Å; D342-A367 WeakPolarHBondContact O-CB 3Å; D342-A367 PolarHBondContact O-N 3.24Å
343	F	93.2	Very high	92.1	Very high	1 Å²	1	17 Å²	17	0%	0.004	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	140	178.3	-75.1	-105.7	0	0	0	110.3	K307 V309 L364 V365 Q366	K307-F343 PolarHBondContact O-N 3.43Å; V309-F343 PolarHBondContact N-O 2.04Å; F343-L364 HydrophobicContact CB-CB 4.1Å; F343-L364 HydrophobicContact CB-CD1 4.43Å; F343-L364 HydrophobicContact CD1-CB 4.33Å; F343-V365 CarbonylContact C-O 3.55Å; F343-V365 VanDerWaalsContact CA-O 3.24Å; F343-V365 WeakPolarHBondContact CA-O 3.43Å; F343-Q366 HydrophobicContact CD1-CB 4.41Å; F343-Q366 HydrophobicContact CE1-CB 3.92Å; F343-Q366 HydrophobicContact CE2-CG 4.32Å; F343-Q366 HydrophobicContact CZ-CB 3.96Å; F343-Q366 HydrophobicContact CZ-CG 4.07Å
344	V	94.5	Very high	92.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	149.3	-174.9	68.1	0	0	0	0	112.5	V309 I311 L335 L338 V365 A367 F375	V309-V344 VanDerWaalsContact O-CA 3.29Å; V309-V344 WeakPolarHBondContact O-CA 3.33Å; I311-V344 HydrophobicContact CD1-CG2 4.07Å; I311-V344 HydrophobicContact CG1-CG2 4.31Å; L335-V344 HydrophobicContact CD2-CG1 4.46Å; L335-V344 HydrophobicContact CD2-CG2 4.2Å; L338-V344 HydrophobicContact CD1-CB 3.67Å; L338-V344 HydrophobicContact CD1-CG1 4.1Å; L338-V344 HydrophobicContact CD1-CG2 3.76Å; V344-V365 PolarHBondContact N-O 3.22Å; V344-V365 VanDerWaalsContact O-CG2 3.28Å; V344-V365 WeakPolarHBondContact O-CG2 3.36Å; V344-V365 PolarHBondContact O-N 3.41Å; V344-V365 VanDerWaalsContact O-N 3.16Å; V344-A367 HydrophobicContact CG1-CB 4.11Å; V344-F375 HydrophobicContact CG1-CD2 4.3Å; V344-F375 HydrophobicContact CG1-CE2 3.87Å
345	N	94.9	Very high	92.1	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	152.5	156.8	-161.8	-12.9	0	0	0	109.7	V309 I310 I311 Y355 F360 M363 L364	V309-N345 PolarHBondContact O-N 2.73Å; V309-N345 VanDerWaalsContact O-N 3.17Å; I310-N345 WeakPolarHBondContact CA-O 3.44Å; I311-N345 PolarHBondContact N-O 3.49Å; N345-Y355 WeakPolarHBondContact ND2-CD1 3.33Å; N345-F360 PolarHBondContact ND2-O 3.49Å; N345-M363 PolarHBondContact ND2-O 3.07Å; N345-L364 HydrophobicContact CB-CD2 4.08Å
346	I	96	Very high	92	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	121.5	-177.5	-45.8	-178	0	0	0	109.7	I311 V313 I331 L335 V356 F375 V379	I311-I346 HydrophobicContact CB-CG1 4.32Å; I311-I346 HydrophobicContact CB-CG2 4.21Å; I311-I346 HydrophobicContact CD1-CG1 4.37Å; I311-I346 HydrophobicContact CG2-CG2 4.29Å; I311-I346 WeakPolarHBondContact O-CA 3.41Å; V313-I346 HydrophobicContact CG1-CG2 4.36Å; I331-I346 HydrophobicContact CG2-CD1 4.01Å; L335-I346 HydrophobicContact CD1-CD1 4.12Å; L335-I346 HydrophobicContact CD2-CD1 4.34Å; I346-V356 HydrophobicContact CB-CB 4.08Å; I346-V356 HydrophobicContact CB-CG2 3.84Å; I346-V356 HydrophobicContact CG2-CB 4.33Å; I346-V356 HydrophobicContact CG2-CG2 3.56Å; I346-V356 WeakPolarHBondContact O-CG2 3.3Å; I346-V356 PolarHBondContact O-N 2.7Å; I346-F375 HydrophobicContact CD1-CB 3.92Å; I346-F375 HydrophobicContact CD1-CD1 3.76Å; I346-F375 HydrophobicContact CD1-CE1 4.42Å; I346-F375 HydrophobicContact CD1-CG 3.89Å; I346-F375 HydrophobicContact CG1-CD1 4.04Å; I346-F375 HydrophobicContact CG1-CE1 4.2Å; I346-F375 HydrophobicContact CG1-CG 4.43Å; I346-V379 HydrophobicContact CD1-CG2 3.95Å
347	I	95.6	Very high	92	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	116.1	-179.5	-62	-177.1	0	0	0	108.3	I310 I311 V312 V313 V353 Y355 E396	I310-I347 HydrophobicContact CG2-CD1 3.75Å; I310-I347 HydrophobicContact CG2-CG1 4.05Å; I311-I347 PolarHBondContact O-N 3.48Å; V312-I347 CarbonylContact C-O 3.32Å; V312-I347 WeakPolarHBondContact CA-O 3.26Å; V313-I347 PolarHBondContact N-O 3.35Å; I347-V353 HydrophobicContact CG2-CG1 3.28Å; I347-Y355 HydrophobicContact CD1-CE1 3.96Å; I347-Y355 HydrophobicContact CG1-CD1 4.04Å; I347-Y355 HydrophobicContact CG1-CE1 3.97Å; I347-E396 HydrophobicContact CD1-CG 4.46Å
348	A	94.9	Very high	91.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	136.3	170.4	0	0	0	0	0	109.8	V313 V315 R354 V356 L382	V313-A348 HydrophobicContact CG1-CB 3.8Å; V313-A348 WeakPolarHBondContact O-CA 3.43Å; V315-A348 HydrophobicContact CG1-CB 4.03Å; V315-A348 HydrophobicContact CG2-CB 4.13Å; A348-R354 HydrophobicContact CB-CG 3.96Å; A348-R354 PolarHBondContact N-O 3.22Å; A348-R354 WeakPolarHBondContact O-CG 3.09Å; A348-R354 PolarHBondContact O-N 3.27Å; A348-V356 HydrophobicContact CB-CG2 4.21Å; A348-L382 HydrophobicContact CB-CD2 4.45Å
349	Y	94.4	Very high	91.6	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.3	-179.2	74.6	-88.8	0	0	0	113.5	V312 V313 D314 V315 V390 A393 L419 T421	V312-Y349 HydrophobicContact CG1-CD1 3.57Å; V312-Y349 HydrophobicContact CG1-CE1 3.75Å; V313-Y349 VanDerWaalsContact O-CD1 3.23Å; V313-Y349 WeakPolarHBondContact O-CD1 3.49Å; V313-Y349 PolarHBondContact O-N 2.98Å; D314-Y349 HydrophobicContact CB-CE1 3.88Å; D314-Y349 HydrophobicContact CB-CE2 4.17Å; D314-Y349 WeakPolarHBondContact CB-OH 3.4Å; V315-Y349 VanDerWaalsContact CG2-O 3.23Å; V315-Y349 WeakPolarHBondContact CG2-O 3.46Å; V315-Y349 PolarHBondContact N-O 2.91Å; Y349-V390 HydrophobicContact CE2-CB 4.48Å; Y349-V390 HydrophobicContact CE2-CG2 3.82Å; Y349-A393 HydrophobicContact CD1-CB 3.93Å; Y349-A393 HydrophobicContact CG-CB 3.79Å; Y349-L419 HydrophobicContact CE1-CD1 3.95Å; Y349-T421 PolarHBondContact OH-OG1 3.33Å
350	S	92.3	Very high	91.6	Very high	4 Å²	4	24.1 Å²	24.1	3%	0.028	12%	0.123	C	C	.	.	S	Bend	trans	-149.5	-115.7	158.2	60.5	0	0	0	0	109.2	Y352 R385 E387 K389	S350-Y352 PolarHBondContact N-O 3.07Å; S350-Y352 PolarHBondContact O-N 3.25Å; S350-R385 WeakPolarHBondContact CB-O 3.24Å; S350-R385 PolarHBondContact OG-O 3.42Å; S350-E387 CarbonylContact C-O 3.5Å; S350-E387 WeakPolarHBondContact CA-O 3.31Å; S350-K389 WeakPolarHBondContact O-CB 3.39Å; S350-K389 PolarHBondContact O-N 3.39Å
351	D	88.3	Confident	91.7	Very high	65 Å²	65	31 Å²	31	35%	0.348	15%	0.153	S	C	.	.	S	Bend	trans	-62.4	-29.5	178.1	-57.9	-46.6	0	0	0	111.2	G386 E387 K392	D351-G386 WeakPolarHBondContact OD2-CA 3.04Å; D351-E387 PolarHBondContact N-O 2.94Å; D351-E387 WeakPolarHBondContact OD1-CB 3.19Å; D351-E387 PolarHBondContact OD1-N 2.94Å; D351-K392 PolarHBondContact O-NZ 3.23Å
352	Y	88.8	Confident	91.6	Very high	112 Å²	112	31.1 Å²	31.1	44%	0.439	16%	0.159	S	C	.	.	S	Bend	trans	-133.1	162	177.4	61.1	-87.4	0	0	0	110.4	S350 R354	S350-Y352 PolarHBondContact N-O 3.07Å; S350-Y352 PolarHBondContact O-N 3.25Å; Y352-R354 HydrophobicContact CD2-CB 4.39Å; Y352-R354 HydrophobicContact CE2-CB 4.16Å
353	V	92.3	Very high	91.4	Very high	42 Å²	42	33.5 Å²	33.5	26%	0.255	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	133.5	177.3	-176.2	0	0	0	0	108.5	I347 K392 A393 E396	I347-V353 HydrophobicContact CG2-CG1 3.28Å; V353-K392 HydrophobicContact CG2-CB 3.69Å; V353-A393 HydrophobicContact CG2-CB 4.27Å; V353-E396 HydrophobicContact CG1-CB 4.29Å; V353-E396 HydrophobicContact CG1-CG 4.27Å
354	R	93	Very high	91.3	Very high	69 Å²	69	33.6 Å²	33.6	26%	0.26	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	137.2	173.8	67.7	-178.8	-179	96.1	-2.3	111	A348 Y352	A348-R354 HydrophobicContact CB-CG 3.96Å; A348-R354 PolarHBondContact N-O 3.22Å; A348-R354 WeakPolarHBondContact O-CG 3.09Å; A348-R354 PolarHBondContact O-N 3.27Å; Y352-R354 HydrophobicContact CD2-CB 4.39Å; Y352-R354 HydrophobicContact CE2-CB 4.16Å
355	Y	93.4	Very high	91.1	Very high	22 Å²	22	33.9 Å²	33.9	9%	0.086	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	143.3	165.6	-64	-93.5	0	0	0	108.8	N345 I347 K361 E396 V400	N345-Y355 WeakPolarHBondContact ND2-CD1 3.33Å; I347-Y355 HydrophobicContact CD1-CE1 3.96Å; I347-Y355 HydrophobicContact CG1-CD1 4.04Å; I347-Y355 HydrophobicContact CG1-CE1 3.97Å; Y355-K361 HydrophobicContact CD2-CB 4.12Å; Y355-K361 HydrophobicContact CD2-CG 3.77Å; Y355-K361 HydrophobicContact CE2-CB 4.4Å; Y355-K361 HydrophobicContact CE2-CG 3.7Å; Y355-K361 HydrophobicContact CG-CB 4.46Å; Y355-E396 WeakPolarHBondContact OH-CG 3.29Å; Y355-E396 PolarHBondContact OH-OE1 2.96Å; Y355-V400 HydrophobicContact CE1-CG2 4.4Å; Y355-V400 VanDerWaalsContact OH-CG2 3.26Å; Y355-V400 WeakPolarHBondContact OH-CG2 3.41Å
356	V	92.3	Very high	90.9	Very high	11 Å²	11	34.6 Å²	34.6	7%	0.067	18%	0.176	C	C	.	.	S	Bend	trans	-69.1	-41.1	177.1	172.9	0	0	0	0	110.5	I346 A348 L378 L382	I346-V356 HydrophobicContact CB-CB 4.08Å; I346-V356 HydrophobicContact CB-CG2 3.84Å; I346-V356 HydrophobicContact CG2-CB 4.33Å; I346-V356 HydrophobicContact CG2-CG2 3.56Å; I346-V356 WeakPolarHBondContact O-CG2 3.3Å; I346-V356 PolarHBondContact O-N 2.7Å; A348-V356 HydrophobicContact CB-CG2 4.21Å; V356-L378 HydrophobicContact CG1-CB 3.5Å; V356-L378 VanDerWaalsContact CG1-CB 3.5Å; V356-L378 HydrophobicContact CG1-CD1 4.22Å; V356-L382 HydrophobicContact CG1-CD2 4.4Å; V356-L382 HydrophobicContact CG2-CD2 4.04Å
357	E	90.7	Very high	90.6	Very high	19 Å²	19	34.6 Å²	34.6	9%	0.089	18%	0.176	C	C	.	.	S	Bend	trans	-105.8	107.9	168.9	176.1	45.8	-100	0	0	110.1	C359 F360 H374 F375 L378	E357-C359 HydrophobicContact CG-CB 4.1Å; E357-C359 PolarHBondContact O-N 3.32Å; E357-C359 VanDerWaalsContact OE1-CB 3.28Å; E357-C359 WeakPolarHBondContact OE1-CB 3.45Å; E357-C359 PolarHBondContact OE1-N 3.37Å; E357-F360 HydrophobicContact CB-CD2 3.69Å; E357-F360 HydrophobicContact CB-CE2 4.09Å; E357-F360 HydrophobicContact CB-CG 4.4Å; E357-F360 HydrophobicContact CG-CD1 4.49Å; E357-F360 HydrophobicContact CG-CD2 3.42Å; E357-F360 VanDerWaalsContact CG-CD2 3.42Å; E357-F360 HydrophobicContact CG-CE2 3.55Å; E357-F360 HydrophobicContact CG-CG 3.93Å; E357-F360 HydrophobicContact CG-CZ 4.14Å; E357-F360 PolarHBondContact O-N 2.9Å; E357-F360 VanDerWaalsContact O-N 3.11Å; E357-H374 IonicContact OE2-CD2 2.65Å; E357-H374 IonicContact OE2-CE1 2.67Å; E357-H374 IonicContact OE2-NE2 2.75Å; E357-H374 PolarHBondContact OE2-NE2 3.05Å; E357-F375 HydrophobicContact CB-CE1 4.07Å; E357-L378 HydrophobicContact CB-CD1 3.8Å; E357-L378 HydrophobicContact CG-CD1 4.44Å
358	P	88.1	Confident	90.1	Very high	98 Å²	98	36.2 Å²	36.2	64%	0.636	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-55.5	-28.5	177.4	-27.8	36.1	0	0	0	115.1	F360 K361	P358-F360 PolarHBondContact O-N 3.43Å; P358-K361 WeakPolarHBondContact O-CB 3.26Å; P358-K361 PolarHBondContact O-N 2.91Å
359	C	86.8	Confident	89.6	Confident	27 Å²	27	37.6 Å²	37.6	18%	0.182	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-66.9	-23.3	178.3	-71.7	0	0	0	0	113.2	E357 C1095 R1099	E357-C359 HydrophobicContact CG-CB 4.1Å; E357-C359 PolarHBondContact O-N 3.32Å; E357-C359 VanDerWaalsContact OE1-CB 3.28Å; E357-C359 WeakPolarHBondContact OE1-CB 3.45Å; E357-C359 PolarHBondContact OE1-N 3.37Å; C359-C1095 HydrophobicContact CB-CB 3.64Å; C359-C1095 WeakPolarHBondContact CB-SG 3.48Å; C359-C1095 WeakPolarHBondContact SG-CB 3.44Å; C359-C1095 CovalentContact SG-SG 2.03Å; C359-C1095 PolarHBondContact SG-SG 3.1Å; C359-R1099 VanDerWaalsContact O-CZ 3.25Å; C359-R1099 PolarHBondContact O-NE 2.92Å; C359-R1099 PolarHBondContact O-NH2 2.88Å
360	F	86.5	Confident	89	Confident	1 Å²	1	41.7 Å²	41.7	0%	0.004	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-101.6	23.5	178.3	-49.3	-37.5	0	0	0	113.3	N345 E357 P358 G362 M363 V365 F375 M1098	N345-F360 PolarHBondContact ND2-O 3.49Å; E357-F360 HydrophobicContact CB-CD2 3.69Å; E357-F360 HydrophobicContact CB-CE2 4.09Å; E357-F360 HydrophobicContact CB-CG 4.4Å; E357-F360 HydrophobicContact CG-CD1 4.49Å; E357-F360 HydrophobicContact CG-CD2 3.42Å; E357-F360 VanDerWaalsContact CG-CD2 3.42Å; E357-F360 HydrophobicContact CG-CE2 3.55Å; E357-F360 HydrophobicContact CG-CG 3.93Å; E357-F360 HydrophobicContact CG-CZ 4.14Å; E357-F360 PolarHBondContact O-N 2.9Å; E357-F360 VanDerWaalsContact O-N 3.11Å; P358-F360 PolarHBondContact O-N 3.43Å; F360-G362 PolarHBondContact O-N 2.88Å; F360-G362 VanDerWaalsContact O-N 3.12Å; F360-M363 PolarHBondContact O-N 2.82Å; F360-V365 HydrophobicContact CB-CG1 4.15Å; F360-V365 HydrophobicContact CD1-CG1 3.42Å; F360-V365 VanDerWaalsContact CD1-CG1 3.42Å; F360-V365 HydrophobicContact CD2-CG1 3.89Å; F360-V365 HydrophobicContact CD2-CG2 3.87Å; F360-V365 HydrophobicContact CE1-CG1 3.67Å; F360-V365 HydrophobicContact CE2-CG1 4.1Å; F360-V365 HydrophobicContact CE2-CG2 3.96Å; F360-V365 HydrophobicContact CG-CG1 3.55Å; F360-V365 HydrophobicContact CG-CG2 4.34Å; F360-V365 HydrophobicContact CZ-CG1 4.01Å; F360-F375 HydrophobicContact CD2-CE1 4.11Å; F360-F375 HydrophobicContact CD2-CE2 4.46Å; F360-F375 AromaticContact CD2-CZ 3.63Å; F360-F375 HydrophobicContact CD2-CZ 3.63Å; F360-F375 HydrophobicContact CE2-CE1 4.42Å; F360-F375 HydrophobicContact CE2-CE2 4.35Å; F360-F375 AromaticContact CE2-CZ 3.89Å; F360-F375 HydrophobicContact CE2-CZ 3.89Å; F360-M1098 HydrophobicContact CE1-CB 3.68Å; F360-M1098 HydrophobicContact CE1-CE 4.38Å; F360-M1098 HydrophobicContact CZ-CB 3.71Å; F360-M1098 HydrophobicContact CZ-CE 4.03Å; F360-M1098 HydrophobicContact CZ-CG 4.41Å; F360-M1098 HydrophobicContact CZ-SD 4.08Å
361	K	89.1	Confident	88.7	Confident	149 Å²	149	42.1 Å²	42.1	65%	0.648	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	117.1	176.6	-178	-178.6	-178.8	-174.8	0	111.2	Y355 P358 M363	Y355-K361 HydrophobicContact CD2-CB 4.12Å; Y355-K361 HydrophobicContact CD2-CG 3.77Å; Y355-K361 HydrophobicContact CE2-CB 4.4Å; Y355-K361 HydrophobicContact CE2-CG 3.7Å; Y355-K361 HydrophobicContact CG-CB 4.46Å; P358-K361 WeakPolarHBondContact O-CB 3.26Å; P358-K361 PolarHBondContact O-N 2.91Å; K361-M363 VanDerWaalsContact C-N 3.33Å
362	G	86.6	Confident	88.8	Confident	24 Å²	24	39.9 Å²	39.9	25%	0.247	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	9.4	176.2	0	0	0	0	0	115.3	F360	F360-G362 PolarHBondContact O-N 2.88Å; F360-G362 VanDerWaalsContact O-N 3.12Å
363	M	88.8	Confident	88.7	Confident	58 Å²	58	38.5 Å²	38.5	29%	0.286	20%	0.201	S	C	.	.			trans	-128.7	151.8	-178.7	-65.8	-178.7	67.8	0	0	110.9	N345 F360 K361	N345-M363 PolarHBondContact ND2-O 3.07Å; F360-M363 PolarHBondContact O-N 2.82Å; K361-M363 VanDerWaalsContact C-N 3.33Å
364	L	90.6	Very high	88.4	Confident	3 Å²	3	38 Å²	38	2%	0.016	20%	0.195	C	C	.	.			trans	-91.2	144.2	164.9	-60.8	177.1	0	0	0	109.6	D308 I310 F343 N345 V400 L401 A404 Q1101	D308-L364 HydrophobicContact CB-CD1 3.89Å; I310-L364 HydrophobicContact CD1-CD2 4.25Å; I310-L364 HydrophobicContact CG1-CD2 3.92Å; F343-L364 HydrophobicContact CB-CB 4.1Å; F343-L364 HydrophobicContact CB-CD1 4.43Å; F343-L364 HydrophobicContact CD1-CB 4.33Å; N345-L364 HydrophobicContact CB-CD2 4.08Å; L364-V400 HydrophobicContact CD2-CG1 3.92Å; L364-V400 HydrophobicContact CG-CG1 4.16Å; L364-L401 HydrophobicContact CD1-CD2 4.32Å; L364-A404 HydrophobicContact CD1-CB 3.76Å; L364-A404 HydrophobicContact CG-CB 4.16Å; L364-Q1101 PolarHBondContact O-NE2 3.2Å
365	V	90.8	Very high	88.4	Confident	6 Å²	6	34.8 Å²	34.8	4%	0.036	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	150.8	174.1	-66.8	0	0	0	0	111	F343 V344 F360 F375	F343-V365 CarbonylContact C-O 3.55Å; F343-V365 VanDerWaalsContact CA-O 3.24Å; F343-V365 WeakPolarHBondContact CA-O 3.43Å; V344-V365 PolarHBondContact N-O 3.22Å; V344-V365 VanDerWaalsContact O-CG2 3.28Å; V344-V365 WeakPolarHBondContact O-CG2 3.36Å; V344-V365 PolarHBondContact O-N 3.41Å; V344-V365 VanDerWaalsContact O-N 3.16Å; F360-V365 HydrophobicContact CB-CG1 4.15Å; F360-V365 HydrophobicContact CD1-CG1 3.42Å; F360-V365 VanDerWaalsContact CD1-CG1 3.42Å; F360-V365 HydrophobicContact CD2-CG1 3.89Å; F360-V365 HydrophobicContact CD2-CG2 3.87Å; F360-V365 HydrophobicContact CE1-CG1 3.67Å; F360-V365 HydrophobicContact CE2-CG1 4.1Å; F360-V365 HydrophobicContact CE2-CG2 3.96Å; F360-V365 HydrophobicContact CG-CG1 3.55Å; F360-V365 HydrophobicContact CG-CG2 4.34Å; F360-V365 HydrophobicContact CZ-CG1 4.01Å; V365-F375 HydrophobicContact CG2-CE2 3.64Å; V365-F375 HydrophobicContact CG2-CZ 3.79Å
366	Q	89.4	Confident	88.3	Confident	15 Å²	15	35 Å²	35	7%	0.07	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	137.9	177.2	-166.1	173.7	-44.8	0	0	109.8	E340 F343 D368 N371 Y580	E340-Q366 WeakPolarHBondContact O-CG 3.32Å; E340-Q366 PolarHBondContact O-NE2 2.76Å; E340-Q366 VanDerWaalsContact O-NE2 3.16Å; F343-Q366 HydrophobicContact CD1-CB 4.41Å; F343-Q366 HydrophobicContact CE1-CB 3.92Å; F343-Q366 HydrophobicContact CE2-CG 4.32Å; F343-Q366 HydrophobicContact CZ-CB 3.96Å; F343-Q366 HydrophobicContact CZ-CG 4.07Å; Q366-D368 VanDerWaalsContact CD-OD1 3.23Å; Q366-D368 VanDerWaalsContact CG-OD1 3.25Å; Q366-D368 WeakPolarHBondContact CG-OD1 3.45Å; Q366-D368 PolarHBondContact NE2-OD1 3.19Å; Q366-D368 PolarHBondContact O-N 3.08Å; Q366-N371 PolarHBondContact O-ND2 3.03Å; Q366-Y580 PolarHBondContact NE2-OH 3.28Å; Q366-Y580 VanDerWaalsContact NE2-OH 3.08Å
367	A	89.9	Confident	88.3	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.			trans	-79.3	45	-178.4	0	0	0	0	0	112.7	L338 D342 V344 R372	L338-A367 HydrophobicContact CB-CB 3.71Å; L338-A367 HydrophobicContact CD1-CB 4.04Å; D342-A367 HydrophobicContact CB-CB 4.27Å; D342-A367 WeakPolarHBondContact O-CB 3Å; D342-A367 PolarHBondContact O-N 3.24Å; V344-A367 HydrophobicContact CG1-CB 4.11Å; A367-R372 HydrophobicContact CB-CG 4.39Å; A367-R372 WeakPolarHBondContact O-CD 3.34Å
368	D	85.8	Confident	88.3	Confident	35 Å²	35	40.3 Å²	40.3	19%	0.187	21%	0.212	C	C	.	.			trans	-60.2	153.5	172.8	-57	-32.1	0	0	0	110.7	Q366 D370 N371 R372 Y580	Q366-D368 VanDerWaalsContact CD-OD1 3.23Å; Q366-D368 VanDerWaalsContact CG-OD1 3.25Å; Q366-D368 WeakPolarHBondContact CG-OD1 3.45Å; Q366-D368 PolarHBondContact NE2-OD1 3.19Å; Q366-D368 PolarHBondContact O-N 3.08Å; D368-D370 VanDerWaalsContact C-N 3.29Å; D368-D370 PolarHBondContact O-N 2.97Å; D368-N371 HydrophobicContact CB-CB 4.45Å; D368-N371 PolarHBondContact O-N 3.11Å; D368-N371 VanDerWaalsContact O-N 3.08Å; D368-N371 PolarHBondContact OD2-ND2 3.27Å; D368-R372 WeakPolarHBondContact O-CB 3.38Å; D368-R372 WeakPolarHBondContact O-CG 3.29Å; D368-R372 PolarHBondContact O-N 2.88Å; D368-Y580 PolarHBondContact OD1-OH 2.91Å
369	L	82.8	Confident	88.6	Confident	28 Å²	28	35.6 Å²	35.6	15%	0.147	18%	0.182	C	C	.	.	H	α-helix	trans	-55.6	-43.2	179.9	-168	76	0	0	0	112.5	N371 R372 E373 P601 N602	L369-N371 VanDerWaalsContact C-N 3.35Å; L369-N371 PolarHBondContact O-N 3.34Å; L369-R372 PolarHBondContact O-N 2.78Å; L369-E373 HydrophobicContact CG-CG 4.41Å; L369-E373 WeakPolarHBondContact O-CB 3.37Å; L369-E373 WeakPolarHBondContact O-CG 3.39Å; L369-E373 PolarHBondContact O-N 3.46Å; L369-P601 VanDerWaalsContact CD2-C 3.48Å; L369-P601 WeakPolarHBondContact CD2-O 3.48Å; L369-N602 HydrophobicContact CD2-CB 4.05Å
370	D	82.3	Confident	88.8	Confident	87 Å²	87	39 Å²	39	47%	0.465	20%	0.199	S	C	.	.	H	α-helix	trans	-63.2	-39.2	178.5	-76.6	-1.7	0	0	0	112.2	D368 H374	D368-D370 VanDerWaalsContact C-N 3.29Å; D368-D370 PolarHBondContact O-N 2.97Å; D370-H374 WeakPolarHBondContact O-CB 3.2Å; D370-H374 PolarHBondContact O-N 2.71Å
371	N	87.1	Confident	89.1	Confident	13 Å²	13	46.1 Å²	46.1	7%	0.07	23%	0.231	C	C	.	.	H	α-helix	trans	-70.3	-42.7	176.1	-71.4	-28.1	0	0	0	111.1	Q366 D368 L369 H374 F375	Q366-N371 PolarHBondContact O-ND2 3.03Å; D368-N371 HydrophobicContact CB-CB 4.45Å; D368-N371 PolarHBondContact O-N 3.11Å; D368-N371 VanDerWaalsContact O-N 3.08Å; D368-N371 PolarHBondContact OD2-ND2 3.27Å; L369-N371 VanDerWaalsContact C-N 3.35Å; L369-N371 PolarHBondContact O-N 3.34Å; N371-H374 PolarHBondContact O-N 2.94Å; N371-F375 WeakPolarHBondContact O-CD2 3.31Å; N371-F375 PolarHBondContact O-N 3.34Å
372	R	89.4	Confident	89.2	Confident	19 Å²	19	39.3 Å²	39.3	7%	0.072	20%	0.202	C	C	.	.	H	α-helix	trans	-60.3	-49.8	176.3	-74.9	166.4	54.1	-171	-6.3	111.7	L335 D336 L338 A367 D368 L369 F375 K376	L335-R372 VanDerWaalsContact O-CZ 3.25Å; L335-R372 PolarHBondContact O-NE 2.91Å; L335-R372 PolarHBondContact O-NH2 2.82Å; D336-R372 IonicContact OD1-NH2 2.8Å; D336-R372 PolarHBondContact OD1-NH2 2.85Å; L338-R372 PolarHBondContact O-NH1 2.59Å; A367-R372 HydrophobicContact CB-CG 4.39Å; A367-R372 WeakPolarHBondContact O-CD 3.34Å; D368-R372 WeakPolarHBondContact O-CB 3.38Å; D368-R372 WeakPolarHBondContact O-CG 3.29Å; D368-R372 PolarHBondContact O-N 2.88Å; L369-R372 PolarHBondContact O-N 2.78Å; R372-F375 PolarHBondContact O-N 2.95Å; R372-K376 WeakPolarHBondContact O-CG 3.46Å; R372-K376 PolarHBondContact O-N 3.03Å
373	E	86.4	Confident	89.3	Confident	83 Å²	83	43.6 Å²	43.6	39%	0.388	22%	0.216	S	C	.	.	H	α-helix	trans	-65.7	-37.9	177.6	-70.2	-60.5	128.5	0	0	111.8	L369 F375 K376 L377	L369-E373 HydrophobicContact CG-CG 4.41Å; L369-E373 WeakPolarHBondContact O-CB 3.37Å; L369-E373 WeakPolarHBondContact O-CG 3.39Å; L369-E373 PolarHBondContact O-N 3.46Å; E373-F375 PolarHBondContact O-N 3.03Å; E373-K376 PolarHBondContact O-N 2.93Å; E373-K376 WeakPolarHBondContact OE1-CD 3.29Å; E373-K376 WeakPolarHBondContact OE1-CE 3.43Å; E373-K376 IonicContact OE1-NZ 3.08Å; E373-K376 PolarHBondContact OE1-NZ 2.82Å; E373-L377 WeakPolarHBondContact O-CG 3.27Å; E373-L377 PolarHBondContact O-N 3.14Å; E373-L377 VanDerWaalsContact O-N 3.11Å
374	H	87.4	Confident	89.5	Confident	32 Å²	32	42.9 Å²	42.9	15%	0.148	21%	0.214	C	C	.	.	H	α-helix	trans	-62.4	-40.7	172	-178.2	78.3	0	0	0	111.9	E357 D370 N371 L377 L378 K1094	E357-H374 IonicContact OE2-CD2 2.65Å; E357-H374 IonicContact OE2-CE1 2.67Å; E357-H374 IonicContact OE2-NE2 2.75Å; E357-H374 PolarHBondContact OE2-NE2 3.05Å; D370-H374 WeakPolarHBondContact O-CB 3.2Å; D370-H374 PolarHBondContact O-N 2.71Å; N371-H374 PolarHBondContact O-N 2.94Å; H374-L377 PolarHBondContact O-N 2.02Å; H374-L378 WeakPolarHBondContact O-CG 3.01Å; H374-L378 PolarHBondContact O-N 3.32Å; H374-K1094 PolarHBondContact ND1-NZ 2.95Å
375	F	91.9	Very high	89.4	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.6	-44.5	172.3	-80.2	-59.1	0	0	0	112.6	L335 V344 I346 E357 F360 V365 N371 R372 E373 L377 L378 V379	L335-F375 HydrophobicContact CD1-CB 3.9Å; V344-F375 HydrophobicContact CG1-CD2 4.3Å; V344-F375 HydrophobicContact CG1-CE2 3.87Å; I346-F375 HydrophobicContact CD1-CB 3.92Å; I346-F375 HydrophobicContact CD1-CD1 3.76Å; I346-F375 HydrophobicContact CD1-CE1 4.42Å; I346-F375 HydrophobicContact CD1-CG 3.89Å; I346-F375 HydrophobicContact CG1-CD1 4.04Å; I346-F375 HydrophobicContact CG1-CE1 4.2Å; I346-F375 HydrophobicContact CG1-CG 4.43Å; E357-F375 HydrophobicContact CB-CE1 4.07Å; F360-F375 HydrophobicContact CD2-CE1 4.11Å; F360-F375 HydrophobicContact CD2-CE2 4.46Å; F360-F375 AromaticContact CD2-CZ 3.63Å; F360-F375 HydrophobicContact CD2-CZ 3.63Å; F360-F375 HydrophobicContact CE2-CE1 4.42Å; F360-F375 HydrophobicContact CE2-CE2 4.35Å; F360-F375 AromaticContact CE2-CZ 3.89Å; F360-F375 HydrophobicContact CE2-CZ 3.89Å; V365-F375 HydrophobicContact CG2-CE2 3.64Å; V365-F375 HydrophobicContact CG2-CZ 3.79Å; N371-F375 WeakPolarHBondContact O-CD2 3.31Å; N371-F375 PolarHBondContact O-N 3.34Å; R372-F375 PolarHBondContact O-N 2.95Å; E373-F375 PolarHBondContact O-N 3.03Å; F375-L377 VanDerWaalsContact C-N 3.3Å; F375-L377 PolarHBondContact O-N 2.8Å; F375-L378 PolarHBondContact O-N 3Å; F375-L378 VanDerWaalsContact O-N 3.09Å; F375-V379 WeakPolarHBondContact O-CB 2.95Å; F375-V379 VanDerWaalsContact O-CG2 3.25Å; F375-V379 WeakPolarHBondContact O-CG2 3.33Å; F375-V379 PolarHBondContact O-N 3.02Å
376	K	92.2	Very high	89.2	Confident	27 Å²	27	50.7 Å²	50.7	12%	0.117	26%	0.256	C	S	.	.	H	α-helix	trans	-55.7	-44	177.3	-70.9	176.9	-172.5	175.5	0	111.8	L335 D336 R372 E373 L378 V379 D380	L335-K376 HydrophobicContact CD1-CG 4.02Å; D336-K376 VanDerWaalsContact CG-NZ 3.3Å; D336-K376 WeakPolarHBondContact OD1-CE 3.49Å; D336-K376 IonicContact OD1-NZ 2.73Å; D336-K376 PolarHBondContact OD1-NZ 3.03Å; D336-K376 IonicContact OD2-NZ 2.72Å; D336-K376 PolarHBondContact OD2-NZ 2.9Å; D336-K376 VanDerWaalsContact OD2-NZ 3.16Å; R372-K376 WeakPolarHBondContact O-CG 3.46Å; R372-K376 PolarHBondContact O-N 3.03Å; E373-K376 PolarHBondContact O-N 2.93Å; E373-K376 WeakPolarHBondContact OE1-CD 3.29Å; E373-K376 WeakPolarHBondContact OE1-CE 3.43Å; E373-K376 IonicContact OE1-NZ 3.08Å; E373-K376 PolarHBondContact OE1-NZ 2.82Å; K376-L378 PolarHBondContact O-N 2.85Å; K376-V379 PolarHBondContact O-N 2.71Å; K376-D380 PolarHBondContact O-N 2.92Å
377	L	90.8	Very high	89.1	Confident	105 Å²	105	55.5 Å²	55.5	55%	0.55	28%	0.278	S	S	.	.	H	α-helix	trans	-59.6	-43.1	175.4	-67.8	173.3	0	0	0	112.5	E373 H374 F375 D380 E381	E373-L377 WeakPolarHBondContact O-CG 3.27Å; E373-L377 PolarHBondContact O-N 3.14Å; E373-L377 VanDerWaalsContact O-N 3.11Å; H374-L377 PolarHBondContact O-N 2.02Å; F375-L377 VanDerWaalsContact C-N 3.3Å; F375-L377 PolarHBondContact O-N 2.8Å; L377-D380 PolarHBondContact O-N 2.87Å; L377-E381 PolarHBondContact O-N 2.95Å
378	L	91.7	Very high	88.8	Confident	36 Å²	36	57 Å²	57	19%	0.188	29%	0.293	C	S	.	.	H	α-helix	trans	-72.5	-31.3	177.6	-64.8	174.9	0	0	0	113.1	V356 E357 H374 F375 K376 E381 L382	V356-L378 HydrophobicContact CG1-CB 3.5Å; V356-L378 VanDerWaalsContact CG1-CB 3.5Å; V356-L378 HydrophobicContact CG1-CD1 4.22Å; E357-L378 HydrophobicContact CB-CD1 3.8Å; E357-L378 HydrophobicContact CG-CD1 4.44Å; H374-L378 WeakPolarHBondContact O-CG 3.01Å; H374-L378 PolarHBondContact O-N 3.32Å; F375-L378 PolarHBondContact O-N 3Å; F375-L378 VanDerWaalsContact O-N 3.09Å; K376-L378 PolarHBondContact O-N 2.85Å; L378-E381 PolarHBondContact O-N 3.27Å; L378-L382 PolarHBondContact O-N 2.78Å
379	V	93.6	Very high	88.8	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.8	-42	174.2	167.6	0	0	0	0	110.2	K328 I331 I346 F375 K376 E381 L382	K328-V379 HydrophobicContact CB-CG1 4.02Å; K328-V379 WeakPolarHBondContact CD-O 3.49Å; K328-V379 WeakPolarHBondContact CE-O 3.48Å; K328-V379 HydrophobicContact CG-CG1 3.88Å; K328-V379 PolarHBondContact NZ-O 3.25Å; I331-V379 HydrophobicContact CB-CG1 4.19Å; I331-V379 HydrophobicContact CD1-CG1 4.23Å; I331-V379 HydrophobicContact CG2-CG1 4.1Å; I331-V379 HydrophobicContact CG2-CG2 3.71Å; I346-V379 HydrophobicContact CD1-CG2 3.95Å; F375-V379 WeakPolarHBondContact O-CB 2.95Å; F375-V379 VanDerWaalsContact O-CG2 3.25Å; F375-V379 WeakPolarHBondContact O-CG2 3.33Å; F375-V379 PolarHBondContact O-N 3.02Å; K376-V379 PolarHBondContact O-N 2.71Å; V379-E381 VanDerWaalsContact C-N 3.26Å; V379-E381 PolarHBondContact O-N 2.88Å; V379-L382 HydrophobicContact CB-CD1 4.39Å; V379-L382 HydrophobicContact CG1-CD1 4.29Å; V379-L382 HydrophobicContact CG2-CD1 4.41Å; V379-L382 WeakPolarHBondContact O-CB 3.35Å; V379-L382 VanDerWaalsContact O-CG 3.27Å; V379-L382 WeakPolarHBondContact O-CG 3.32Å; V379-L382 PolarHBondContact O-N 2.84Å; V379-L382 VanDerWaalsContact O-N 3.1Å
380	D	91.8	Very high	89.1	Confident	99 Å²	99	58.1 Å²	58.1	53%	0.529	30%	0.296	S	S	.	.	H	α-helix	trans	-61.1	-32.2	173.5	-84.4	-11.6	0	0	0	112.9	K328 K376 L377 L382	K328-D380 PolarHBondContact NZ-O 2.68Å; K376-D380 PolarHBondContact O-N 2.92Å; L377-D380 PolarHBondContact O-N 2.87Å; D380-L382 VanDerWaalsContact C-N 3.33Å; D380-L382 PolarHBondContact O-N 2.74Å
381	E	91.8	Very high	89.5	Confident	149 Å²	149	57.5 Å²	57.5	70%	0.696	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-6.9	175.8	-68	-168.9	175.9	0	0	114.7	L377 L378 V379 Q383	L377-E381 PolarHBondContact O-N 2.95Å; L378-E381 PolarHBondContact O-N 3.27Å; V379-E381 VanDerWaalsContact C-N 3.26Å; V379-E381 PolarHBondContact O-N 2.88Å; E381-Q383 PolarHBondContact O-N 3.02Å
382	L	91.6	Very high	89.6	Confident	7 Å²	7	62.2 Å²	62.2	4%	0.037	31%	0.309	C	S	.	.			trans	-60.8	136.5	-178.6	-62	171.7	0	0	0	112.5	V313 K328 A348 V356 L378 V379 D380	V313-L382 HydrophobicContact CG1-CD1 4.36Å; K328-L382 WeakPolarHBondContact CE-O 3.46Å; K328-L382 PolarHBondContact NZ-O 2.75Å; A348-L382 HydrophobicContact CB-CD2 4.45Å; V356-L382 HydrophobicContact CG1-CD2 4.4Å; V356-L382 HydrophobicContact CG2-CD2 4.04Å; L378-L382 PolarHBondContact O-N 2.78Å; V379-L382 HydrophobicContact CB-CD1 4.39Å; V379-L382 HydrophobicContact CG1-CD1 4.29Å; V379-L382 HydrophobicContact CG2-CD1 4.41Å; V379-L382 WeakPolarHBondContact O-CB 3.35Å; V379-L382 VanDerWaalsContact O-CG 3.27Å; V379-L382 WeakPolarHBondContact O-CG 3.32Å; V379-L382 PolarHBondContact O-N 2.84Å; V379-L382 VanDerWaalsContact O-N 3.1Å; D380-L382 VanDerWaalsContact C-N 3.33Å; D380-L382 PolarHBondContact O-N 2.74Å
383	Q	90.4	Very high	89.7	Confident	114 Å²	114	61.3 Å²	61.3	53%	0.533	31%	0.306	S	S	.	.			trans	-127.5	144.7	178.9	-66.6	176.3	-4.7	0	0	111	E381 R385	E381-Q383 PolarHBondContact O-N 3.02Å; Q383-R385 VanDerWaalsContact OE1-NH2 3.12Å
384	V	92.4	Very high	90	Very high	42 Å²	42	57.4 Å²	57.4	26%	0.255	29%	0.287	S	S	.	.			trans	-70.6	133.1	175.4	165.2	0	0	0	0	112.2	V315 S316 G317 M319 K320 L324	V315-V384 CarbonylContact O-C 3.52Å; V315-V384 VanDerWaalsContact O-CA 3.26Å; V315-V384 WeakPolarHBondContact O-CA 3.27Å; S316-V384 WeakPolarHBondContact O-CG1 3.46Å; G317-V384 VanDerWaalsContact CA-CG1 3.5Å; M319-V384 HydrophobicContact CB-CG2 4.28Å; K320-V384 HydrophobicContact CB-CG1 4.47Å; K320-V384 HydrophobicContact CB-CG2 4.36Å; L324-V384 HydrophobicContact CD2-CG2 3.95Å
385	R	87.9	Confident	90.3	Very high	134 Å²	134	59.2 Å²	59.2	51%	0.506	30%	0.295	S	S	.	.			trans	-154.8	136.4	175.5	-57.2	-176.1	-175.1	176.7	3	110.9	V315 S350 Q383	V315-R385 PolarHBondContact O-N 2.93Å; S350-R385 WeakPolarHBondContact CB-O 3.24Å; S350-R385 PolarHBondContact OG-O 3.42Å; Q383-R385 VanDerWaalsContact OE1-NH2 3.12Å
386	G	86.9	Confident	90.4	Very high	40 Å²	40	61.8 Å²	61.8	41%	0.412	31%	0.307	S	S	.	.	S	Bend	trans	76.5	-166.8	166.2	0	0	0	0	0	116.2	S316 G317 D351	S316-G386 WeakPolarHBondContact CA-O 3.34Å; G317-G386 PolarHBondContact N-O 3.46Å; D351-G386 WeakPolarHBondContact OD2-CA 3.04Å
387	E	86.3	Confident	90.5	Very high	115 Å²	115	60.5 Å²	60.5	54%	0.537	30%	0.301	S	S	.	.			trans	-103.2	141.6	179.6	-180	-175	-144.8	0	0	111	S350 D351 K389	S350-E387 CarbonylContact C-O 3.5Å; S350-E387 WeakPolarHBondContact CA-O 3.31Å; D351-E387 PolarHBondContact N-O 2.94Å; D351-E387 WeakPolarHBondContact OD1-CB 3.19Å; D351-E387 PolarHBondContact OD1-N 2.94Å; E387-K389 PolarHBondContact O-N 2.95Å; E387-K389 WeakPolarHBondContact OE2-CE 3.29Å; E387-K389 IonicContact OE2-NZ 3.48Å; E387-K389 PolarHBondContact OE2-NZ 3.18Å
388	G	83.7	Confident	90.7	Very high	31 Å²	31	55.5 Å²	55.5	32%	0.32	28%	0.275	S	S	.	.			trans	-77.9	111.1	-174.3	0	0	0	0	0	114.4	S316	S316-G388 VanDerWaalsContact CB-N 3.31Å
389	K	86.8	Confident	90.8	Very high	80 Å²	80	58.3 Å²	58.3	35%	0.348	29%	0.286	S	S	.	.			trans	-111.2	72.8	-179.8	-60.2	-171.7	178.7	174.4	0	113.8	S350 E387 K391 K392	S350-K389 WeakPolarHBondContact O-CB 3.39Å; S350-K389 PolarHBondContact O-N 3.39Å; E387-K389 PolarHBondContact O-N 2.95Å; E387-K389 WeakPolarHBondContact OE2-CE 3.29Å; E387-K389 IonicContact OE2-NZ 3.48Å; E387-K389 PolarHBondContact OE2-NZ 3.18Å; K389-K391 VanDerWaalsContact C-N 3.29Å; K389-K391 PolarHBondContact O-N 3.35Å; K389-K391 VanDerWaalsContact O-N 3.17Å; K389-K392 PolarHBondContact O-N 3.02Å; K389-K392 VanDerWaalsContact O-N 3.11Å
390	V	88.6	Confident	90.7	Very high	7 Å²	7	58.4 Å²	58.4	4%	0.042	29%	0.286	C	S	.	.	H	α-helix	trans	-45.7	-46.3	-178.7	-173.5	0	0	0	0	113.2	Y349 K392 A393 M394 L419 F428	Y349-V390 HydrophobicContact CE2-CB 4.48Å; Y349-V390 HydrophobicContact CE2-CG2 3.82Å; V390-K392 PolarHBondContact O-N 3.15Å; V390-K392 VanDerWaalsContact O-N 3.09Å; V390-A393 WeakPolarHBondContact O-CB 3.5Å; V390-A393 PolarHBondContact O-N 2.9Å; V390-M394 HydrophobicContact CG1-CG 3.86Å; V390-M394 PolarHBondContact O-N 3.42Å; V390-L419 HydrophobicContact CG1-CD1 4.4Å; V390-L419 HydrophobicContact CG1-CD2 4.18Å; V390-F428 HydrophobicContact CB-CD2 4.22Å; V390-F428 HydrophobicContact CB-CE2 3.5Å; V390-F428 HydrophobicContact CB-CZ 3.69Å; V390-F428 HydrophobicContact CG1-CD2 3.94Å; V390-F428 HydrophobicContact CG1-CE2 3.64Å; V390-F428 HydrophobicContact CG1-CZ 4.32Å; V390-F428 HydrophobicContact CG2-CE2 3.95Å; V390-F428 HydrophobicContact CG2-CZ 4.13Å
391	K	90.3	Very high	90.8	Very high	75 Å²	75	53.7 Å²	53.7	33%	0.326	26%	0.261	S	S	.	.	H	α-helix	trans	-52	-35.6	-177.9	-169.8	164.9	-166.8	163.5	0	113.9	K389 K395 F428 D430 V431	K389-K391 VanDerWaalsContact C-N 3.29Å; K389-K391 PolarHBondContact O-N 3.35Å; K389-K391 VanDerWaalsContact O-N 3.17Å; K391-K395 WeakPolarHBondContact O-CG 3.5Å; K391-K395 PolarHBondContact O-N 3.39Å; K391-F428 HydrophobicContact CB-CD1 3.92Å; K391-F428 HydrophobicContact CB-CE1 4.06Å; K391-F428 HydrophobicContact CD-CD1 4.4Å; K391-F428 HydrophobicContact CG-CD1 4.4Å; K391-D430 IonicContact NZ-OD2 3.77Å; K391-D430 PolarHBondContact NZ-OD2 3.04Å; K391-V431 HydrophobicContact CD-CG2 4.38Å; K391-V431 HydrophobicContact CG-CG2 3.75Å
392	K	90.1	Very high	90.7	Very high	112 Å²	112	50.1 Å²	50.1	49%	0.487	25%	0.247	S	C	.	.	H	α-helix	trans	-74.1	-41.4	176.8	-64.7	-177	-176.5	176.8	0	111.9	D351 V353 K389 V390 K395 E396	D351-K392 PolarHBondContact O-NZ 3.23Å; V353-K392 HydrophobicContact CG2-CB 3.69Å; K389-K392 PolarHBondContact O-N 3.02Å; K389-K392 VanDerWaalsContact O-N 3.11Å; V390-K392 PolarHBondContact O-N 3.15Å; V390-K392 VanDerWaalsContact O-N 3.09Å; K392-K395 PolarHBondContact O-N 2.64Å; K392-E396 PolarHBondContact O-N 2.89Å; K392-E396 VanDerWaalsContact O-N 3.16Å
393	A	92	Very high	90.6	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.2	-41.9	-178	0	0	0	0	0	111.7	V312 Y349 V353 V390 E396 S397	V312-A393 HydrophobicContact CG1-CB 3.76Å; Y349-A393 HydrophobicContact CD1-CB 3.93Å; Y349-A393 HydrophobicContact CG-CB 3.79Å; V353-A393 HydrophobicContact CG2-CB 4.27Å; V390-A393 WeakPolarHBondContact O-CB 3.5Å; V390-A393 PolarHBondContact O-N 2.9Å; A393-E396 PolarHBondContact O-N 2.97Å; A393-S397 WeakPolarHBondContact O-CB 3.26Å; A393-S397 PolarHBondContact O-N 3Å; A393-S397 PolarHBondContact O-OG 3.21Å
394	M	92.8	Very high	90.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	24%	0.239	C	C	.	.	H	α-helix	trans	-62.5	-44.9	176	-65.9	-57	-64.6	0	0	111.9	V390 E396 S397 F398 I417 V431 F432 V444	V390-M394 HydrophobicContact CG1-CG 3.86Å; V390-M394 PolarHBondContact O-N 3.42Å; M394-E396 PolarHBondContact O-N 3.05Å; M394-S397 WeakPolarHBondContact O-CB 3.26Å; M394-S397 PolarHBondContact O-N 2.76Å; M394-S397 VanDerWaalsContact O-N 3.17Å; M394-F398 HydrophobicContact CE-CE2 3.96Å; M394-F398 HydrophobicContact CE-CZ 4.35Å; M394-F398 WeakPolarHBondContact O-CD2 3.14Å; M394-F398 PolarHBondContact O-N 2.98Å; M394-I417 HydrophobicContact CE-CD1 3.99Å; M394-I417 HydrophobicContact CE-CG2 3.95Å; M394-I417 HydrophobicContact SD-CG2 4.06Å; M394-V431 HydrophobicContact CB-CG1 4.06Å; M394-F432 HydrophobicContact CE-CE1 3.78Å; M394-F432 HydrophobicContact CE-CZ 3.98Å; M394-V444 HydrophobicContact CE-CG1 4.27Å
395	K	93.6	Very high	90.3	Very high	70 Å²	70	48.3 Å²	48.3	30%	0.304	24%	0.243	S	C	.	.	H	α-helix	trans	-60	-43.7	176.5	-76.7	-163.8	170.1	-134.4	0	113.2	K391 K392 S397 K399 V431 E434 F435	K391-K395 WeakPolarHBondContact O-CG 3.5Å; K391-K395 PolarHBondContact O-N 3.39Å; K392-K395 PolarHBondContact O-N 2.64Å; K395-S397 VanDerWaalsContact C-N 3.32Å; K395-K399 WeakPolarHBondContact O-CB 3.25Å; K395-K399 PolarHBondContact O-N 3.46Å; K395-K399 VanDerWaalsContact O-N 3.1Å; K395-V431 HydrophobicContact CG-CG1 3.93Å; K395-V431 HydrophobicContact CG-CG2 4.43Å; K395-E434 WeakPolarHBondContact CE-OE2 3.31Å; K395-E434 IonicContact NZ-OE1 3.92Å; K395-E434 PolarHBondContact NZ-OE1 3.16Å; K395-E434 IonicContact NZ-OE2 3.41Å; K395-E434 PolarHBondContact NZ-OE2 3.26Å; K395-F435 HydrophobicContact CB-CE2 4.46Å; K395-F435 HydrophobicContact CD-CE2 4.24Å; K395-F435 HydrophobicContact CG-CE2 3.88Å
396	E	93.4	Very high	90.3	Very high	53 Å²	53	46.5 Å²	46.5	25%	0.248	25%	0.251	C	S	.	.	H	α-helix	trans	-65.6	-37.2	175.9	-171.2	73.9	171.7	0	0	111.3	I347 V353 Y355 K392 A393 M394 K399 V400	I347-E396 HydrophobicContact CD1-CG 4.46Å; V353-E396 HydrophobicContact CG1-CB 4.29Å; V353-E396 HydrophobicContact CG1-CG 4.27Å; Y355-E396 WeakPolarHBondContact OH-CG 3.29Å; Y355-E396 PolarHBondContact OH-OE1 2.96Å; K392-E396 PolarHBondContact O-N 2.89Å; K392-E396 VanDerWaalsContact O-N 3.16Å; A393-E396 PolarHBondContact O-N 2.97Å; M394-E396 PolarHBondContact O-N 3.05Å; E396-K399 WeakPolarHBondContact O-CB 3.43Å; E396-K399 PolarHBondContact O-N 2.97Å; E396-V400 WeakPolarHBondContact O-CG2 3.27Å; E396-V400 PolarHBondContact O-N 3.4Å
397	S	94.5	Very high	90.2	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-64.2	-49.4	178.5	-54.6	0	0	0	0	112.2	I310 V312 A393 M394 K395 K399 V400 L401	I310-S397 VanDerWaalsContact CD1-O 3.31Å; I310-S397 WeakPolarHBondContact CD1-O 3.28Å; V312-S397 VanDerWaalsContact CG2-OG 3.28Å; V312-S397 WeakPolarHBondContact CG2-OG 3.45Å; A393-S397 WeakPolarHBondContact O-CB 3.26Å; A393-S397 PolarHBondContact O-N 3Å; A393-S397 PolarHBondContact O-OG 3.21Å; M394-S397 WeakPolarHBondContact O-CB 3.26Å; M394-S397 PolarHBondContact O-N 2.76Å; M394-S397 VanDerWaalsContact O-N 3.17Å; K395-S397 VanDerWaalsContact C-N 3.32Å; S397-K399 VanDerWaalsContact C-N 3.26Å; S397-K399 PolarHBondContact O-N 2.97Å; S397-V400 PolarHBondContact O-N 2.84Å; S397-L401 PolarHBondContact O-N 2.99Å; S397-L401 VanDerWaalsContact O-N 3.1Å
398	F	94.2	Very high	90	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-60.1	-37.9	174.5	-76.1	-65.9	0	0	0	112.3	M394 L401 N402 I417 V431 F432 F435 N436 V442	M394-F398 HydrophobicContact CE-CE2 3.96Å; M394-F398 HydrophobicContact CE-CZ 4.35Å; M394-F398 WeakPolarHBondContact O-CD2 3.14Å; M394-F398 PolarHBondContact O-N 2.98Å; F398-L401 PolarHBondContact O-N 3.02Å; F398-N402 WeakPolarHBondContact O-CB 3.48Å; F398-N402 VanDerWaalsContact O-CG 3.3Å; F398-N402 PolarHBondContact O-N 3.03Å; F398-N402 PolarHBondContact O-ND2 2.97Å; F398-I417 HydrophobicContact CD1-CD1 3.97Å; F398-I417 HydrophobicContact CD2-CD1 4.3Å; F398-I417 HydrophobicContact CE1-CD1 3.79Å; F398-I417 HydrophobicContact CE2-CD1 4.12Å; F398-I417 HydrophobicContact CG-CD1 4.21Å; F398-I417 HydrophobicContact CZ-CD1 3.86Å; F398-V431 HydrophobicContact CD2-CG1 4.13Å; F398-V431 HydrophobicContact CE2-CG1 4.1Å; F398-F432 HydrophobicContact CE2-CD1 4.07Å; F398-F432 HydrophobicContact CE2-CE1 4.02Å; F398-F432 AromaticContact CZ-CD1 3.85Å; F398-F432 HydrophobicContact CZ-CD1 3.85Å; F398-F432 AromaticContact CZ-CE1 3.93Å; F398-F432 HydrophobicContact CZ-CE1 3.93Å; F398-F435 HydrophobicContact CB-CB 3.87Å; F398-F435 HydrophobicContact CB-CD1 3.61Å; F398-F435 HydrophobicContact CB-CD2 4.42Å; F398-F435 HydrophobicContact CB-CE1 4.25Å; F398-F435 HydrophobicContact CB-CG 3.71Å; F398-F435 HydrophobicContact CD1-CB 3.88Å; F398-F435 HydrophobicContact CD2-CB 3.81Å; F398-F435 HydrophobicContact CD2-CD2 4.34Å; F398-F435 HydrophobicContact CD2-CG 4.11Å; F398-F435 HydrophobicContact CE1-CB 4.37Å; F398-F435 HydrophobicContact CE2-CB 4.32Å; F398-F435 HydrophobicContact CG-CB 3.59Å; F398-F435 HydrophobicContact CG-CD1 4.31Å; F398-F435 AromaticContact CG-CG 3.93Å; F398-F435 HydrophobicContact CG-CG 3.93Å; F398-N436 HydrophobicContact CE1-CB 4.07Å; F398-N436 HydrophobicContact CZ-CB 4.27Å; F398-V442 HydrophobicContact CD1-CB 4.49Å; F398-V442 HydrophobicContact CD1-CG2 4.23Å; F398-V442 HydrophobicContact CE1-CB 3.89Å; F398-V442 HydrophobicContact CE1-CG1 3.96Å; F398-V442 HydrophobicContact CE1-CG2 4.1Å
399	K	93.4	Very high	89.8	Confident	95 Å²	95	47.8 Å²	47.8	41%	0.413	25%	0.249	S	C	.	.	H	α-helix	trans	-61.1	-47.8	176.3	-175.4	-174	166.8	-168.5	0	111.8	K395 E396 S397 N402 E403	K395-K399 WeakPolarHBondContact O-CB 3.25Å; K395-K399 PolarHBondContact O-N 3.46Å; K395-K399 VanDerWaalsContact O-N 3.1Å; E396-K399 WeakPolarHBondContact O-CB 3.43Å; E396-K399 PolarHBondContact O-N 2.97Å; S397-K399 VanDerWaalsContact C-N 3.26Å; S397-K399 PolarHBondContact O-N 2.97Å; K399-N402 PolarHBondContact O-N 3.27Å; K399-E403 VanDerWaalsContact CE-CD 3.47Å; K399-E403 WeakPolarHBondContact CE-OE1 3.36Å; K399-E403 HydrophobicContact CG-CG 4.4Å; K399-E403 IonicContact NZ-OE1 2.95Å; K399-E403 WeakPolarHBondContact O-CB 3.45Å; K399-E403 WeakPolarHBondContact O-CG 3.33Å; K399-E403 PolarHBondContact O-N 3.43Å
400	V	93.3	Very high	89.6	Confident	2 Å²	2	44 Å²	44	1%	0.012	23%	0.234	C	C	.	.	H	α-helix	trans	-63	-42.9	179	174	0	0	0	0	111.8	I310 Y355 L364 E396 S397 E403 A404	I310-V400 HydrophobicContact CD1-CB 3.74Å; I310-V400 HydrophobicContact CD1-CG1 3.81Å; Y355-V400 HydrophobicContact CE1-CG2 4.4Å; Y355-V400 VanDerWaalsContact OH-CG2 3.26Å; Y355-V400 WeakPolarHBondContact OH-CG2 3.41Å; L364-V400 HydrophobicContact CD2-CG1 3.92Å; L364-V400 HydrophobicContact CG-CG1 4.16Å; E396-V400 WeakPolarHBondContact O-CG2 3.27Å; E396-V400 PolarHBondContact O-N 3.4Å; S397-V400 PolarHBondContact O-N 2.84Å; V400-E403 PolarHBondContact O-N 2.88Å; V400-A404 VanDerWaalsContact O-CB 3.29Å; V400-A404 WeakPolarHBondContact O-CB 3.23Å; V400-A404 PolarHBondContact O-N 3.48Å
401	L	92.5	Very high	89.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-62.9	-42	177	-70.7	173.2	0	0	0	112.2	D308 I310 L364 S397 F398 A405 Q415 I417 V442	D308-L401 HydrophobicContact CB-CD2 4.18Å; I310-L401 HydrophobicContact CD1-CD1 4.45Å; I310-L401 HydrophobicContact CD1-CD2 4.08Å; I310-L401 HydrophobicContact CD1-CG 3.75Å; I310-L401 HydrophobicContact CG1-CD2 4.1Å; I310-L401 HydrophobicContact CG1-CG 4.22Å; L364-L401 HydrophobicContact CD1-CD2 4.32Å; S397-L401 PolarHBondContact O-N 2.99Å; S397-L401 VanDerWaalsContact O-N 3.1Å; F398-L401 PolarHBondContact O-N 3.02Å; L401-A405 WeakPolarHBondContact O-CB 3.34Å; L401-A405 PolarHBondContact O-N 3.15Å; L401-Q415 PolarHBondContact O-NE2 3.34Å; L401-I417 HydrophobicContact CD1-CD1 4.08Å; L401-I417 HydrophobicContact CD1-CG1 3.75Å; L401-V442 HydrophobicContact CD1-CG1 3.73Å; L401-V442 HydrophobicContact CD1-CG2 4.14Å
402	N	90.2	Very high	89.2	Confident	75 Å²	75	44.3 Å²	44.3	40%	0.401	24%	0.239	S	C	.	.	H	α-helix	trans	-70	-41.5	178.3	-74.1	-18.3	0	0	0	112.3	F398 K399 S406	F398-N402 WeakPolarHBondContact O-CB 3.48Å; F398-N402 VanDerWaalsContact O-CG 3.3Å; F398-N402 PolarHBondContact O-N 3.03Å; F398-N402 PolarHBondContact O-ND2 2.97Å; K399-N402 PolarHBondContact O-N 3.27Å; N402-S406 WeakPolarHBondContact O-CB 3.26Å; N402-S406 PolarHBondContact O-N 2.89Å; N402-S406 PolarHBondContact O-OG 3.03Å
403	E	90.2	Very high	89.1	Confident	79 Å²	79	39.6 Å²	39.6	37%	0.369	22%	0.22	S	C	.	.	H	α-helix	trans	-62.5	-47.2	175.6	-76.2	179.2	169.7	0	0	110.6	K399 V400 A405 S406 L407	K399-E403 VanDerWaalsContact CE-CD 3.47Å; K399-E403 WeakPolarHBondContact CE-OE1 3.36Å; K399-E403 HydrophobicContact CG-CG 4.4Å; K399-E403 IonicContact NZ-OE1 2.95Å; K399-E403 WeakPolarHBondContact O-CB 3.45Å; K399-E403 WeakPolarHBondContact O-CG 3.33Å; K399-E403 PolarHBondContact O-N 3.43Å; V400-E403 PolarHBondContact O-N 2.88Å; E403-A405 PolarHBondContact O-N 2.66Å; E403-S406 PolarHBondContact O-N 3.49Å; E403-S406 PolarHBondContact O-OG 3.46Å; E403-L407 WeakPolarHBondContact O-CG 3.2Å; E403-L407 PolarHBondContact O-N 3.09Å; E403-L407 VanDerWaalsContact O-N 3.08Å
404	A	88.7	Confident	89.1	Confident	5 Å²	5	39.7 Å²	39.7	4%	0.041	22%	0.221	C	C	.	.	H	α-helix	trans	-58.4	-49.9	176.4	0	0	0	0	0	112	L364 V400 S406 L407 G408 Q409	L364-A404 HydrophobicContact CD1-CB 3.76Å; L364-A404 HydrophobicContact CG-CB 4.16Å; V400-A404 VanDerWaalsContact O-CB 3.29Å; V400-A404 WeakPolarHBondContact O-CB 3.23Å; V400-A404 PolarHBondContact O-N 3.48Å; A404-S406 VanDerWaalsContact C-N 3.34Å; A404-S406 PolarHBondContact O-N 3.28Å; A404-L407 PolarHBondContact O-N 3.11Å; A404-G408 PolarHBondContact O-N 2.83Å; A404-Q409 CarbonylContact C-O 3.47Å; A404-Q409 PolarHBondContact O-N 3.43Å; A404-Q409 VanDerWaalsContact O-O 3.14Å
405	A	87.1	Confident	89.1	Confident	41 Å²	41	40.9 Å²	40.9	34%	0.339	23%	0.226	S	C	.	.	H	α-helix	trans	-58.3	-42.8	176.7	0	0	0	0	0	112.6	L401 E403 L407 G408	L401-A405 WeakPolarHBondContact O-CB 3.34Å; L401-A405 PolarHBondContact O-N 3.15Å; E403-A405 PolarHBondContact O-N 2.66Å; A405-L407 VanDerWaalsContact C-N 3.31Å; A405-L407 PolarHBondContact O-N 3.47Å; A405-G408 PolarHBondContact O-N 3.39Å
406	S	86.9	Confident	89.2	Confident	96 Å²	96	37.6 Å²	37.6	67%	0.671	21%	0.212	S	C	*	.	H	α-helix	trans	-67.6	-30.3	-179.4	75.2	0	0	0	0	113.8	N402 E403 A404 G408	N402-S406 WeakPolarHBondContact O-CB 3.26Å; N402-S406 PolarHBondContact O-N 2.89Å; N402-S406 PolarHBondContact O-OG 3.03Å; E403-S406 PolarHBondContact O-N 3.49Å; E403-S406 PolarHBondContact O-OG 3.46Å; A404-S406 VanDerWaalsContact C-N 3.34Å; A404-S406 PolarHBondContact O-N 3.28Å; S406-G408 VanDerWaalsContact C-N 3.3Å
407	L	85.8	Confident	89.3	Confident	117 Å²	117	35 Å²	35	61%	0.613	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-3.2	177.1	-67.2	172.7	0	0	0	112.6	E403 A404 A405 Q409	E403-L407 WeakPolarHBondContact O-CG 3.2Å; E403-L407 PolarHBondContact O-N 3.09Å; E403-L407 VanDerWaalsContact O-N 3.08Å; A404-L407 PolarHBondContact O-N 3.11Å; A405-L407 VanDerWaalsContact C-N 3.31Å; A405-L407 PolarHBondContact O-N 3.47Å; L407-Q409 HydrophobicContact CB-CB 4.43Å; L407-Q409 HydrophobicContact CB-CG 3.94Å; L407-Q409 PolarHBondContact O-N 2.91Å
408	G	81.5	Confident	89.4	Confident	31 Å²	31	35 Å²	35	32%	0.32	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.5	21.3	-171.2	0	0	0	0	0	113.4	A404 A405 S406 R1106	A404-G408 PolarHBondContact O-N 2.83Å; A405-G408 PolarHBondContact O-N 3.39Å; S406-G408 VanDerWaalsContact C-N 3.3Å; G408-R1106 PolarHBondContact O-NH2 3.12Å
409	Q	79.4	Confident	89.4	Confident	64 Å²	64	35.1 Å²	35.1	30%	0.299	20%	0.2	S	C	.	.			trans	-91.3	143.2	177.8	-69	-179.1	-7.8	0	0	110.1	A404 L407	A404-Q409 CarbonylContact C-O 3.47Å; A404-Q409 PolarHBondContact O-N 3.43Å; A404-Q409 VanDerWaalsContact O-O 3.14Å; L407-Q409 HydrophobicContact CB-CB 4.43Å; L407-Q409 HydrophobicContact CB-CG 3.94Å; L407-Q409 PolarHBondContact O-N 2.91Å
410	G	82.6	Confident	89.5	Confident	2 Å²	2	30.6 Å²	30.6	2%	0.021	18%	0.181	C	C	.	.	S	Bend	trans	101.8	-160.4	-175.6	0	0	0	0	0	114.3	R1104 R1106	G410-R1104 PolarHBondContact O-NH2 3.31Å; G410-R1106 PolarHBondContact O-NE 2.97Å; G410-R1106 PolarHBondContact O-NH2 3.48Å
411	S	83.9	Confident	89.5	Confident	10 Å²	10	30.5 Å²	30.5	7%	0.07	18%	0.18	C	C	.	.			trans	-80.1	-31.4	174.5	67.7	0	0	0	0	112.5	D308 C413	D308-S411 VanDerWaalsContact OD1-CB 3.26Å; D308-S411 WeakPolarHBondContact OD1-CB 3.48Å; D308-S411 PolarHBondContact OD1-N 3.24Å; D308-S411 PolarHBondContact OD1-OG 3.06Å; D308-S411 PolarHBondContact OD2-N 3.12Å; D308-S411 PolarHBondContact OD2-OG 3.21Å; S411-C413 PolarHBondContact O-N 2.88Å; S411-C413 PolarHBondContact OG-N 3.45Å
412	L	86.2	Confident	89.4	Confident	78 Å²	78	31.2 Å²	31.2	41%	0.408	18%	0.184	S	C	.	.	S	Bend	trans	61.6	20	-172.7	-53.4	-179.6	0	0	0	114.4	D308	D308-L412 PolarHBondContact OD2-N 3.07Å
413	C	89.4	Confident	89.1	Confident	13 Å²	13	28.3 Å²	28.3	9%	0.088	17%	0.172	C	C	.	.	S	Bend	trans	-111.1	-103.3	-177.2	-174.4	0	0	0	0	112	P306 S411 C1110	P306-C413 HydrophobicContact CB-CB 4.47Å; P306-C413 VanDerWaalsContact O-CB 3.25Å; P306-C413 WeakPolarHBondContact O-CB 3.41Å; S411-C413 PolarHBondContact O-N 2.88Å; S411-C413 PolarHBondContact OG-N 3.45Å; C413-C1110 WeakPolarHBondContact CA-SG 3.36Å; C413-C1110 HydrophobicContact CB-CB 3.9Å; C413-C1110 WeakPolarHBondContact CB-SG 3.45Å; C413-C1110 VanDerWaalsContact SG-CA 3.54Å; C413-C1110 WeakPolarHBondContact SG-CB 3.42Å; C413-C1110 CovalentContact SG-SG 2.03Å; C413-C1110 PolarHBondContact SG-SG 2.92Å
414	N	91.1	Very high	88.5	Confident	2 Å²	2	24.6 Å²	24.6	1%	0.011	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	135.2	175.1	-83	-57.5	0	0	0	110.7	P306 K307 D308 S1112	P306-N414 WeakPolarHBondContact O-CB 3.48Å; P306-N414 PolarHBondContact O-N 3.35Å; K307-N414 CarbonylContact C-O 3.54Å; K307-N414 WeakPolarHBondContact CA-O 3.45Å; K307-N414 HydrophobicContact CB-CB 3.89Å; D308-N414 PolarHBondContact N-O 3.24Å; N414-S1112 VanDerWaalsContact OD1-CA 3.26Å; N414-S1112 WeakPolarHBondContact OD1-CA 3.25Å; N414-S1112 WeakPolarHBondContact OD1-CB 3.39Å
415	Q	93.4	Very high	87.9	Confident	25 Å²	25	32 Å²	32	12%	0.117	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	124.8	172.3	-64.6	-165.9	-41.5	0	0	110.1	D308 L401 V442 R443	D308-Q415 HydrophobicContact CB-CG 4.42Å; L401-Q415 PolarHBondContact O-NE2 3.34Å; Q415-V442 HydrophobicContact CB-CG2 4.14Å; Q415-V442 WeakPolarHBondContact O-CA 3.42Å; Q415-R443 PolarHBondContact O-N 3.1Å
416	A	94.5	Very high	87.5	Confident	1 Å²	1	35.5 Å²	35.5	1%	0.008	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	139.9	-175.1	0	0	0	0	0	112.9	D308 V309 I310 R443 F445	D308-A416 PolarHBondContact O-N 3.29Å; V309-A416 WeakPolarHBondContact CA-O 3.33Å; V309-A416 HydrophobicContact CG2-CB 4.46Å; I310-A416 PolarHBondContact N-O 2.85Å; A416-R443 CarbonylContact C-O 3.56Å; A416-R443 VanDerWaalsContact CA-O 3.31Å; A416-R443 WeakPolarHBondContact CA-O 3.04Å; A416-F445 HydrophobicContact CB-CD2 4.23Å; A416-F445 HydrophobicContact CB-CE2 4.08Å
417	I	96.4	Very high	86.9	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	125	166.7	-60.2	171.8	0	0	0	107.8	I310 V312 M394 F398 L401 V442 R443 V444 F445	I310-I417 WeakPolarHBondContact O-CA 3.26Å; V312-I417 HydrophobicContact CG2-CG2 3.78Å; M394-I417 HydrophobicContact CE-CD1 3.99Å; M394-I417 HydrophobicContact CE-CG2 3.95Å; M394-I417 HydrophobicContact SD-CG2 4.06Å; F398-I417 HydrophobicContact CD1-CD1 3.97Å; F398-I417 HydrophobicContact CD2-CD1 4.3Å; F398-I417 HydrophobicContact CE1-CD1 3.79Å; F398-I417 HydrophobicContact CE2-CD1 4.12Å; F398-I417 HydrophobicContact CG-CD1 4.21Å; F398-I417 HydrophobicContact CZ-CD1 3.86Å; L401-I417 HydrophobicContact CD1-CD1 4.08Å; L401-I417 HydrophobicContact CD1-CG1 3.75Å; I417-V442 HydrophobicContact CD1-CG1 3.9Å; I417-V442 HydrophobicContact CG1-CG1 3.83Å; I417-R443 PolarHBondContact N-O 2.03Å; I417-V444 CarbonylContact O-C 3.58Å; I417-V444 WeakPolarHBondContact O-CA 3.08Å; I417-F445 PolarHBondContact O-N 2.65Å
418	M	96.2	Very high	86.8	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	102.3	177.7	-66.2	179.5	175.7	0	0	109.2	V309 I310 V312 I334 F445 Y447 Y486	V309-M418 HydrophobicContact CG1-CE 3.99Å; V309-M418 HydrophobicContact CG1-CG 4.05Å; V309-M418 HydrophobicContact CG1-SD 3.68Å; I310-M418 PolarHBondContact O-N 3.11Å; V312-M418 PolarHBondContact N-O 3.03Å; I334-M418 HydrophobicContact CD1-SD 3.99Å; I334-M418 HydrophobicContact CG1-SD 4.29Å; I334-M418 HydrophobicContact CG2-CE 4.39Å; I334-M418 HydrophobicContact CG2-SD 3.52Å; I334-M418 VanDerWaalsContact CG2-SD 3.52Å; M418-F445 HydrophobicContact CG-CB 4.22Å; M418-F445 HydrophobicContact CG-CD2 4.42Å; M418-Y447 HydrophobicContact CB-CE2 4.24Å; M418-Y447 HydrophobicContact CG-CE2 4.37Å; M418-Y486 HydrophobicContact CE-CD1 3.8Å; M418-Y486 HydrophobicContact CE-CD2 3.93Å; M418-Y486 HydrophobicContact CE-CE1 3.83Å; M418-Y486 HydrophobicContact CE-CE2 3.96Å; M418-Y486 HydrophobicContact CE-CG 3.91Å
419	L	95.4	Very high	87	Confident	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	119.7	179.9	177.6	63.6	0	0	0	110.5	V312 Y349 V390 T421 F445 T446 Y447	V312-L419 HydrophobicContact CB-CD1 4.17Å; V312-L419 HydrophobicContact CG1-CD1 3.85Å; Y349-L419 HydrophobicContact CE1-CD1 3.95Å; V390-L419 HydrophobicContact CG1-CD1 4.4Å; V390-L419 HydrophobicContact CG1-CD2 4.18Å; L419-T421 HydrophobicContact CD2-CG2 4.43Å; L419-T421 HydrophobicContact CG-CG2 4.23Å; L419-F445 PolarHBondContact N-O 3.38Å; L419-T446 HydrophobicContact CB-CG2 4.32Å; L419-T446 HydrophobicContact CD2-CG2 4.42Å; L419-Y447 PolarHBondContact O-N 3.32Å
420	I	95.3	Very high	87.5	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	111.4	-180	-57.6	176.6	0	0	0	108.4	I311 V312 D314 A327 T330 I331 I334 Y447 I449	I311-I420 HydrophobicContact CG2-CD1 3.85Å; V312-I420 PolarHBondContact O-N 3.29Å; D314-I420 PolarHBondContact N-O 3.47Å; A327-I420 HydrophobicContact CB-CG2 3.94Å; T330-I420 HydrophobicContact CG2-CD1 4.22Å; I331-I420 HydrophobicContact CD1-CD1 4.37Å; I331-I420 HydrophobicContact CG1-CD1 3.54Å; I334-I420 HydrophobicContact CD1-CD1 4.05Å; I420-Y447 HydrophobicContact CG1-CD2 4.06Å; I420-Y447 HydrophobicContact CG1-CG 4.45Å; I420-I449 HydrophobicContact CG2-CD1 3.32Å; I420-I449 HydrophobicContact CG2-CG1 4.21Å
421	T	92.8	Very high	87.8	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	160.9	-173.6	-173.1	0	0	0	0	112.2	Y349 L419 G423 Y447 L448 I449	Y349-T421 PolarHBondContact OH-OG1 3.33Å; L419-T421 HydrophobicContact CD2-CG2 4.43Å; L419-T421 HydrophobicContact CG-CG2 4.23Å; T421-G423 PolarHBondContact OG1-N 3.46Å; T421-G423 PolarHBondContact OG1-O 2.8Å; T421-Y447 PolarHBondContact N-O 2.83Å; T421-Y447 VanDerWaalsContact O-O 3.12Å; T421-L448 WeakPolarHBondContact O-CA 3.06Å; T421-I449 PolarHBondContact O-N 3.09Å
422	D	89.9	Confident	88.1	Confident	16 Å²	16	31.3 Å²	31.3	9%	0.086	16%	0.159	C	C	.	.	S	Bend	trans	-91.5	-1.9	167.4	65.3	-2.4	0	0	0	113.7	S318 M319 R323 L448 I449	S318-D422 VanDerWaalsContact C-OD2 3.3Å; S318-D422 WeakPolarHBondContact CB-OD2 3.25Å; S318-D422 PolarHBondContact OG-OD1 2.93Å; S318-D422 PolarHBondContact OG-OD2 3.19Å; M319-D422 HydrophobicContact SD-CB 3.63Å; M319-D422 VanDerWaalsContact SD-CG 3.55Å; R323-D422 VanDerWaalsContact CD-OD2 3.31Å; R323-D422 WeakPolarHBondContact CD-OD2 3.3Å; R323-D422 IonicContact CZ-OD2 3.8Å; R323-D422 IonicContact NE-OD2 3.01Å; R323-D422 IonicContact NH1-OD2 2.72Å; R323-D422 PolarHBondContact NH1-OD2 2.92Å; D422-L448 WeakPolarHBondContact O-CD1 3.26Å; D422-I449 VanDerWaalsContact CB-O 3.3Å; D422-I449 WeakPolarHBondContact CB-O 3.33Å
423	G	84.8	Confident	88.3	Confident	14 Å²	14	33.9 Å²	33.9	14%	0.144	17%	0.169	C	C	.	.			trans	172.3	165.1	167.6	0	0	0	0	0	115.4	T421	T421-G423 PolarHBondContact OG1-N 3.46Å; T421-G423 PolarHBondContact OG1-O 2.8Å
424	A	77.6	Confident	88.3	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.008	19%	0.189	C	C	.	.			trans	-129	122.3	170.1	0	0	0	0	0	109.5	E426 F428 N458 V459 I462	A424-E426 VanDerWaalsContact C-N 3.27Å; A424-E426 PolarHBondContact O-N 3.44Å; A424-F428 HydrophobicContact CB-CE2 4.13Å; A424-N458 PolarHBondContact O-ND2 3.28Å; A424-V459 HydrophobicContact CB-CG2 3.67Å; A424-I462 HydrophobicContact CB-CD1 4.29Å
425	M	75.6	Confident	88.2	Confident	159 Å²	159	41.3 Å²	41.3	78%	0.783	20%	0.201	S	C	*	.	S	Bend	trans	-73.9	-18.4	-179.6	-59.6	-174.7	79.1	0	0	113.3	F455 N458	M425-F455 HydrophobicContact CG-CE1 4.43Å; M425-N458 PolarHBondContact O-ND2 2.89Å
426	E	77.9	Confident	88	Confident	116 Å²	116	40.6 Å²	40.6	54%	0.542	20%	0.198	S	C	.	.	S	Bend	trans	-140.1	158.2	-177.9	-64.3	178.5	176.5	0	0	110.9	A424 F428	A424-E426 VanDerWaalsContact C-N 3.27Å; A424-E426 PolarHBondContact O-N 3.44Å; E426-F428 VanDerWaalsContact C-N 3.31Å; E426-F428 HydrophobicContact CB-CD1 4.13Å; E426-F428 HydrophobicContact CB-CE1 3.85Å; E426-F428 HydrophobicContact CB-CZ 4.09Å; E426-F428 VanDerWaalsContact O-CD2 3.25Å; E426-F428 WeakPolarHBondContact O-CD2 3.35Å; E426-F428 WeakPolarHBondContact O-CE2 3.49Å
427	D	74.7	Confident	87.5	Confident	37 Å²	37	44.2 Å²	44.2	20%	0.198	21%	0.214	C	C	.	.			trans	-76.5	-13.1	176.6	-66.7	-13.7	0	0	0	114	K429 W461	D427-K429 VanDerWaalsContact C-N 3.28Å; D427-K429 HydrophobicContact CB-CD 4.32Å; D427-K429 HydrophobicContact CB-CG 3.79Å; D427-K429 PolarHBondContact O-N 3.19Å; D427-K429 WeakPolarHBondContact OD2-CE 3.26Å; D427-K429 IonicContact OD2-NZ 3.27Å; D427-K429 PolarHBondContact OD2-NZ 3.38Å; D427-W461 HydrophobicContact CB-CD2 4.3Å; D427-W461 HydrophobicContact CB-CE3 3.68Å; D427-W461 HydrophobicContact CB-CZ3 3.88Å; D427-W461 WeakPolarHBondContact O-CZ3 3.45Å
428	F	85.1	Confident	86.8	Confident	22 Å²	22	49.4 Å²	49.4	10%	0.096	25%	0.248	C	C	.	.			trans	51.7	33.2	-178.1	-53.1	-63.7	0	0	0	116.4	V390 K391 A424 E426 D430 V431 F432 I462	V390-F428 HydrophobicContact CB-CD2 4.22Å; V390-F428 HydrophobicContact CB-CE2 3.5Å; V390-F428 HydrophobicContact CB-CZ 3.69Å; V390-F428 HydrophobicContact CG1-CD2 3.94Å; V390-F428 HydrophobicContact CG1-CE2 3.64Å; V390-F428 HydrophobicContact CG1-CZ 4.32Å; V390-F428 HydrophobicContact CG2-CE2 3.95Å; V390-F428 HydrophobicContact CG2-CZ 4.13Å; K391-F428 HydrophobicContact CB-CD1 3.92Å; K391-F428 HydrophobicContact CB-CE1 4.06Å; K391-F428 HydrophobicContact CD-CD1 4.4Å; K391-F428 HydrophobicContact CG-CD1 4.4Å; A424-F428 HydrophobicContact CB-CE2 4.13Å; E426-F428 VanDerWaalsContact C-N 3.31Å; E426-F428 HydrophobicContact CB-CD1 4.13Å; E426-F428 HydrophobicContact CB-CE1 3.85Å; E426-F428 HydrophobicContact CB-CZ 4.09Å; E426-F428 VanDerWaalsContact O-CD2 3.25Å; E426-F428 WeakPolarHBondContact O-CD2 3.35Å; E426-F428 WeakPolarHBondContact O-CE2 3.49Å; F428-D430 VanDerWaalsContact C-N 3.31Å; F428-D430 PolarHBondContact O-N 3.34Å; F428-D430 VanDerWaalsContact O-N 3.16Å; F428-V431 HydrophobicContact CB-CG2 4.34Å; F428-V431 WeakPolarHBondContact O-CB 3.5Å; F428-V431 PolarHBondContact O-N 3.35Å; F428-F432 HydrophobicContact CB-CE2 4.24Å; F428-F432 WeakPolarHBondContact O-CD2 3.49Å; F428-I462 HydrophobicContact CD2-CD1 4.17Å
429	K	84.7	Confident	86.1	Confident	82 Å²	82	54.6 Å²	54.6	36%	0.357	27%	0.272	S	S	.	.	H	α-helix	trans	-48.1	-46.6	-173.2	-51.3	-161.2	174.5	167	0	113.7	D427 V431 F432 E433 W461	D427-K429 VanDerWaalsContact C-N 3.28Å; D427-K429 HydrophobicContact CB-CD 4.32Å; D427-K429 HydrophobicContact CB-CG 3.79Å; D427-K429 PolarHBondContact O-N 3.19Å; D427-K429 WeakPolarHBondContact OD2-CE 3.26Å; D427-K429 IonicContact OD2-NZ 3.27Å; D427-K429 PolarHBondContact OD2-NZ 3.38Å; K429-V431 PolarHBondContact O-N 2.96Å; K429-F432 PolarHBondContact O-N 3.34Å; K429-E433 PolarHBondContact O-N 2.95Å; K429-W461 HydrophobicContact CB-CH2 4.29Å; K429-W461 HydrophobicContact CD-CH2 3.74Å; K429-W461 HydrophobicContact CD-CZ2 3.88Å; K429-W461 HydrophobicContact CD-CZ3 4.41Å; K429-W461 VanDerWaalsContact CE-CZ2 3.49Å; K429-W461 HydrophobicContact CG-CH2 3.56Å; K429-W461 HydrophobicContact CG-CZ2 4.24Å; K429-W461 HydrophobicContact CG-CZ3 3.91Å
430	D	89.1	Confident	85.6	Confident	89 Å²	89	58.2 Å²	58.2	48%	0.476	29%	0.285	S	S	.	.	H	α-helix	trans	-52.1	-34.6	179.6	-17.4	-30.9	0	0	0	113.2	K391 F428 E434	K391-D430 IonicContact NZ-OD2 3.77Å; K391-D430 PolarHBondContact NZ-OD2 3.04Å; F428-D430 VanDerWaalsContact C-N 3.31Å; F428-D430 PolarHBondContact O-N 3.34Å; F428-D430 VanDerWaalsContact O-N 3.16Å; D430-E434 WeakPolarHBondContact O-CB 3.35Å; D430-E434 PolarHBondContact O-N 3.04Å
431	V	89.3	Confident	85.1	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-72.3	-40	-178.5	-174.8	0	0	0	0	111	K391 M394 K395 F398 F428 K429 E434 F435	K391-V431 HydrophobicContact CD-CG2 4.38Å; K391-V431 HydrophobicContact CG-CG2 3.75Å; M394-V431 HydrophobicContact CB-CG1 4.06Å; K395-V431 HydrophobicContact CG-CG1 3.93Å; K395-V431 HydrophobicContact CG-CG2 4.43Å; F398-V431 HydrophobicContact CD2-CG1 4.13Å; F398-V431 HydrophobicContact CE2-CG1 4.1Å; F428-V431 HydrophobicContact CB-CG2 4.34Å; F428-V431 WeakPolarHBondContact O-CB 3.5Å; F428-V431 PolarHBondContact O-N 3.35Å; K429-V431 PolarHBondContact O-N 2.96Å; V431-E434 PolarHBondContact O-N 3.35Å; V431-F435 HydrophobicContact CG1-CD2 4.16Å; V431-F435 WeakPolarHBondContact O-CD2 3.44Å; V431-F435 PolarHBondContact O-N 3.25Å; V431-F435 VanDerWaalsContact O-N 3.11Å
432	F	90.6	Very high	85.1	Confident	1 Å²	1	66.7 Å²	66.7	0%	0.004	32%	0.318	C	S	.	.	H	α-helix	trans	-73.1	-39.1	178.5	-59	-67.9	0	0	0	110.8	M394 F398 F428 K429 E434 F435 N436 F437 V444 W461 I462 N466	M394-F432 HydrophobicContact CE-CE1 3.78Å; M394-F432 HydrophobicContact CE-CZ 3.98Å; F398-F432 HydrophobicContact CE2-CD1 4.07Å; F398-F432 HydrophobicContact CE2-CE1 4.02Å; F398-F432 AromaticContact CZ-CD1 3.85Å; F398-F432 HydrophobicContact CZ-CD1 3.85Å; F398-F432 AromaticContact CZ-CE1 3.93Å; F398-F432 HydrophobicContact CZ-CE1 3.93Å; F428-F432 HydrophobicContact CB-CE2 4.24Å; F428-F432 WeakPolarHBondContact O-CD2 3.49Å; K429-F432 PolarHBondContact O-N 3.34Å; F432-E434 VanDerWaalsContact C-N 3.3Å; F432-E434 PolarHBondContact O-N 2.9Å; F432-F435 PolarHBondContact O-N 2.91Å; F432-N436 PolarHBondContact O-N 3.37Å; F432-F437 HydrophobicContact CB-CD2 4.14Å; F432-F437 HydrophobicContact CB-CE2 4.09Å; F432-F437 WeakPolarHBondContact O-CD2 3.33Å; F432-F437 PolarHBondContact O-N 3.34Å; F432-F437 VanDerWaalsContact O-N 3.08Å; F432-V444 HydrophobicContact CE1-CG2 4.11Å; F432-W461 HydrophobicContact CD2-CZ3 4.38Å; F432-I462 HydrophobicContact CE2-CG1 4.18Å; F432-I462 HydrophobicContact CE2-CG2 4.23Å; F432-I462 HydrophobicContact CZ-CG1 4.45Å; F432-I462 HydrophobicContact CZ-CG2 3.71Å; F432-N466 VanDerWaalsContact CD1-ND2 3.33Å; F432-N466 WeakPolarHBondContact CD1-ND2 3.48Å; F432-N466 VanDerWaalsContact CD1-OD1 3.31Å; F432-N466 WeakPolarHBondContact CD1-OD1 3.4Å; F432-N466 WeakPolarHBondContact CE1-ND2 3.48Å
433	E	90.1	Very high	85.2	Confident	132 Å²	132	66.3 Å²	66.3	62%	0.617	32%	0.315	S	S	*	.	H	α-helix	trans	-60.5	-36.8	173.1	-70.9	177	-169.9	0	0	112.4	K429	K429-E433 PolarHBondContact O-N 2.95Å
434	E	90.3	Very high	85.6	Confident	111 Å²	111	65.6 Å²	65.6	52%	0.519	31%	0.308	S	S	.	.	H	α-helix	trans	-74.8	-36.5	177.7	-176.4	-179.3	158.7	0	0	113.9	K395 D430 V431 F432	K395-E434 WeakPolarHBondContact CE-OE2 3.31Å; K395-E434 IonicContact NZ-OE1 3.92Å; K395-E434 PolarHBondContact NZ-OE1 3.16Å; K395-E434 IonicContact NZ-OE2 3.41Å; K395-E434 PolarHBondContact NZ-OE2 3.26Å; D430-E434 WeakPolarHBondContact O-CB 3.35Å; D430-E434 PolarHBondContact O-N 3.04Å; V431-E434 PolarHBondContact O-N 3.35Å; F432-E434 VanDerWaalsContact C-N 3.3Å; F432-E434 PolarHBondContact O-N 2.9Å
435	F	88.2	Confident	86.4	Confident	61 Å²	61	65.7 Å²	65.7	27%	0.268	31%	0.308	S	S	.	.	H	α-helix	trans	-115.5	-24.1	-168.1	-74.5	-81.7	0	0	0	116.8	K395 F398 V431 F432	K395-F435 HydrophobicContact CB-CE2 4.46Å; K395-F435 HydrophobicContact CD-CE2 4.24Å; K395-F435 HydrophobicContact CG-CE2 3.88Å; F398-F435 HydrophobicContact CB-CB 3.87Å; F398-F435 HydrophobicContact CB-CD1 3.61Å; F398-F435 HydrophobicContact CB-CD2 4.42Å; F398-F435 HydrophobicContact CB-CE1 4.25Å; F398-F435 HydrophobicContact CB-CG 3.71Å; F398-F435 HydrophobicContact CD1-CB 3.88Å; F398-F435 HydrophobicContact CD2-CB 3.81Å; F398-F435 HydrophobicContact CD2-CD2 4.34Å; F398-F435 HydrophobicContact CD2-CG 4.11Å; F398-F435 HydrophobicContact CE1-CB 4.37Å; F398-F435 HydrophobicContact CE2-CB 4.32Å; F398-F435 HydrophobicContact CG-CB 3.59Å; F398-F435 HydrophobicContact CG-CD1 4.31Å; F398-F435 AromaticContact CG-CG 3.93Å; F398-F435 HydrophobicContact CG-CG 3.93Å; V431-F435 HydrophobicContact CG1-CD2 4.16Å; V431-F435 WeakPolarHBondContact O-CD2 3.44Å; V431-F435 PolarHBondContact O-N 3.25Å; V431-F435 VanDerWaalsContact O-N 3.11Å; F432-F435 PolarHBondContact O-N 2.91Å
436	N	88.8	Confident	87.3	Confident	9 Å²	9	58.1 Å²	58.1	5%	0.048	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.4	-21.6	-169.6	-156	24.1	0	0	0	114.3	F398 F432 R440 R441 V442 N466	F398-N436 HydrophobicContact CE1-CB 4.07Å; F398-N436 HydrophobicContact CZ-CB 4.27Å; F432-N436 PolarHBondContact O-N 3.37Å; N436-R440 VanDerWaalsContact O-CA 3.22Å; N436-R440 WeakPolarHBondContact O-CA 3.48Å; N436-R440 PolarHBondContact O-N 3.44Å; N436-R440 WeakPolarHBondContact OD1-CA 2.92Å; N436-R441 PolarHBondContact OD1-N 2.78Å; N436-R441 VanDerWaalsContact OD1-N 3.1Å; N436-V442 PolarHBondContact ND2-O 2.95Å; N436-V442 PolarHBondContact OD1-N 3.3Å; N436-N466 PolarHBondContact ND2-OD1 3.02Å
437	F	85.1	Confident	88	Confident	78 Å²	78	52.8 Å²	52.8	34%	0.342	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	150.5	178.4	-84.8	-101	0	0	0	112.6	F432 R440 N465	F432-F437 HydrophobicContact CB-CD2 4.14Å; F432-F437 HydrophobicContact CB-CE2 4.09Å; F432-F437 WeakPolarHBondContact O-CD2 3.33Å; F432-F437 PolarHBondContact O-N 3.34Å; F432-F437 VanDerWaalsContact O-N 3.08Å; F437-R440 HydrophobicContact CD2-CG 4.45Å; F437-R440 HydrophobicContact CE1-CG 4.35Å; F437-R440 HydrophobicContact CE2-CG 4.23Å; F437-R440 HydrophobicContact CZ-CG 4.16Å; F437-N465 WeakPolarHBondContact CE2-ND2 3.48Å; F437-N465 WeakPolarHBondContact CZ-ND2 3.31Å
438	P	82.5	Confident	88.9	Confident	109 Å²	109	51.1 Å²	51.1	71%	0.708	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	cis	-86.8	-16.7	1	34.3	-35.4	0	0	0	114.5	R440	P438-R440 PolarHBondContact O-N 3.44Å
439	E	79.8	Confident	89.3	Confident	109 Å²	109	50.1 Å²	50.1	51%	0.509	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-28.1	-165.6	-61.3	-176.8	178.1	0	0	113.7	R441 K467	E439-R441 HydrophobicContact CB-CG 4.16Å; E439-R441 IonicContact OE1-NH2 2.69Å; E439-R441 IonicContact OE2-CZ 3.3Å; E439-R441 IonicContact OE2-NE 2.87Å; E439-R441 PolarHBondContact OE2-NE 3.23Å; E439-R441 IonicContact OE2-NH2 3.85Å; E439-R441 PolarHBondContact OE2-NH2 3.43Å; E439-K467 PolarHBondContact O-NZ 3.17Å
440	R	86.1	Confident	89.4	Confident	76 Å²	76	46.4 Å²	46.4	29%	0.287	22%	0.218	S	C	.	.			trans	53.4	62.5	-177.9	-62.7	173.3	-71.1	160.9	1.4	110.8	N436 F437 P438 N465 K467	N436-R440 VanDerWaalsContact O-CA 3.22Å; N436-R440 WeakPolarHBondContact O-CA 3.48Å; N436-R440 PolarHBondContact O-N 3.44Å; N436-R440 WeakPolarHBondContact OD1-CA 2.92Å; F437-R440 HydrophobicContact CD2-CG 4.45Å; F437-R440 HydrophobicContact CE1-CG 4.35Å; F437-R440 HydrophobicContact CE2-CG 4.23Å; F437-R440 HydrophobicContact CZ-CG 4.16Å; P438-R440 PolarHBondContact O-N 3.44Å; R440-N465 WeakPolarHBondContact CD-O 3.42Å; R440-K467 HydrophobicContact CB-CD 4.34Å; R440-K467 HydrophobicContact CB-CG 4.45Å; R440-K467 PolarHBondContact O-NZ 3.15Å
441	R	85	Confident	89.1	Confident	175 Å²	175	51.7 Å²	51.7	66%	0.66	23%	0.231	S	C	*	.			trans	-76.2	-39.9	179.7	-65.6	-170.3	-175.1	-163.6	2.2	112	N436 E439	N436-R441 PolarHBondContact OD1-N 2.78Å; N436-R441 VanDerWaalsContact OD1-N 3.1Å; E439-R441 HydrophobicContact CB-CG 4.16Å; E439-R441 IonicContact OE1-NH2 2.69Å; E439-R441 IonicContact OE2-CZ 3.3Å; E439-R441 IonicContact OE2-NE 2.87Å; E439-R441 PolarHBondContact OE2-NE 3.23Å; E439-R441 IonicContact OE2-NH2 3.85Å; E439-R441 PolarHBondContact OE2-NH2 3.43Å
442	V	91.3	Very high	88.6	Confident	3 Å²	3	56.7 Å²	56.7	2%	0.018	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	123.8	-179.7	-177.6	0	0	0	0	109	F398 L401 Q415 I417 N436	F398-V442 HydrophobicContact CD1-CB 4.49Å; F398-V442 HydrophobicContact CD1-CG2 4.23Å; F398-V442 HydrophobicContact CE1-CB 3.89Å; F398-V442 HydrophobicContact CE1-CG1 3.96Å; F398-V442 HydrophobicContact CE1-CG2 4.1Å; L401-V442 HydrophobicContact CD1-CG1 3.73Å; L401-V442 HydrophobicContact CD1-CG2 4.14Å; Q415-V442 HydrophobicContact CB-CG2 4.14Å; Q415-V442 WeakPolarHBondContact O-CA 3.42Å; I417-V442 HydrophobicContact CD1-CG1 3.9Å; I417-V442 HydrophobicContact CG1-CG1 3.83Å; N436-V442 PolarHBondContact ND2-O 2.95Å; N436-V442 PolarHBondContact OD1-N 3.3Å
443	R	92.6	Very high	88	Confident	8 Å²	8	62.5 Å²	62.5	3%	0.03	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	138.2	174	-63.2	174.7	-176.4	-101.4	-2.6	109.7	Q415 A416 I417 F445 N466 V489 L490 P493 S1112 E1117	Q415-R443 PolarHBondContact O-N 3.1Å; A416-R443 CarbonylContact C-O 3.56Å; A416-R443 VanDerWaalsContact CA-O 3.31Å; A416-R443 WeakPolarHBondContact CA-O 3.04Å; I417-R443 PolarHBondContact N-O 2.03Å; R443-F445 HydrophobicContact CB-CE2 3.88Å; R443-F445 HydrophobicContact CB-CZ 4.35Å; R443-N466 WeakPolarHBondContact CA-O 2.95Å; R443-V489 PolarHBondContact NH1-O 2.9Å; R443-L490 VanDerWaalsContact CD-CD2 3.48Å; R443-P493 VanDerWaalsContact NH2-CG 3.33Å; R443-S1112 PolarHBondContact NH2-O 2.87Å; R443-E1117 IonicContact CZ-OE1 3.84Å; R443-E1117 VanDerWaalsContact CZ-OE1 3.22Å; R443-E1117 IonicContact CZ-OE2 3.05Å; R443-E1117 IonicContact NH1-OE1 3.51Å; R443-E1117 PolarHBondContact NH1-OE1 3.34Å; R443-E1117 IonicContact NH1-OE2 3.66Å; R443-E1117 VanDerWaalsContact NH2-CD 3.33Å; R443-E1117 IonicContact NH2-OE1 2.75Å; R443-E1117 PolarHBondContact NH2-OE1 3.13Å; R443-E1117 IonicContact NH2-OE2 2.79Å; R443-E1117 PolarHBondContact NH2-OE2 2.89Å
444	V	93.6	Very high	87.3	Confident	0 Å²	0	61 Å²	61	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	111.6	179.5	-174.7	0	0	0	0	110.2	M394 I417 F432 T446 I462 A463 N466 G468	M394-V444 HydrophobicContact CE-CG1 4.27Å; I417-V444 CarbonylContact O-C 3.58Å; I417-V444 WeakPolarHBondContact O-CA 3.08Å; F432-V444 HydrophobicContact CE1-CG2 4.11Å; V444-T446 HydrophobicContact CG1-CG2 4.33Å; V444-I462 HydrophobicContact CG1-CG2 3.77Å; V444-A463 VanDerWaalsContact O-CA 3.31Å; V444-A463 WeakPolarHBondContact O-CA 3.38Å; V444-A463 WeakPolarHBondContact O-CB 3.27Å; V444-N466 HydrophobicContact CB-CB 3.79Å; V444-N466 HydrophobicContact CG2-CB 3.64Å; V444-N466 PolarHBondContact N-O 2.04Å; V444-G468 WeakPolarHBondContact O-CA 3.28Å
445	F	94.9	Very high	86.6	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.009	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	139	175.6	-62.6	-84.4	0	0	0	109.6	A416 I417 M418 L419 R443 Y447 Y469 V489 L490	A416-F445 HydrophobicContact CB-CD2 4.23Å; A416-F445 HydrophobicContact CB-CE2 4.08Å; I417-F445 PolarHBondContact O-N 2.65Å; M418-F445 HydrophobicContact CG-CB 4.22Å; M418-F445 HydrophobicContact CG-CD2 4.42Å; L419-F445 PolarHBondContact N-O 3.38Å; R443-F445 HydrophobicContact CB-CE2 3.88Å; R443-F445 HydrophobicContact CB-CZ 4.35Å; F445-Y447 HydrophobicContact CB-CE2 4.19Å; F445-Y469 WeakPolarHBondContact CA-O 3.35Å; F445-Y469 VanDerWaalsContact CD1-N 3.34Å; F445-V489 HydrophobicContact CE1-CB 4.06Å; F445-V489 HydrophobicContact CE1-CG1 4.02Å; F445-V489 HydrophobicContact CZ-CB 4.4Å; F445-V489 HydrophobicContact CZ-CG1 4.17Å; F445-L490 HydrophobicContact CE2-CD2 4.36Å; F445-L490 HydrophobicContact CZ-CD2 4.15Å; F445-L490 HydrophobicContact CZ-CG 4.33Å
446	T	93.8	Very high	86.4	Confident	1 Å²	1	57.4 Å²	57.4	1%	0.006	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	123.7	-178.3	61.4	0	0	0	0	111.8	L419 V444 V459 I462 A463 Y469 T471	L419-T446 HydrophobicContact CB-CG2 4.32Å; L419-T446 HydrophobicContact CD2-CG2 4.42Å; V444-T446 HydrophobicContact CG1-CG2 4.33Å; T446-V459 VanDerWaalsContact CB-CG1 3.49Å; T446-V459 HydrophobicContact CG2-CG1 4.15Å; T446-V459 PolarHBondContact OG1-O 2.65Å; T446-I462 HydrophobicContact CG2-CB 4.23Å; T446-I462 HydrophobicContact CG2-CG2 3.81Å; T446-A463 HydrophobicContact CG2-CB 4.12Å; T446-A463 WeakPolarHBondContact OG1-CB 3.42Å; T446-Y469 PolarHBondContact N-O 3.03Å; T446-T471 PolarHBondContact O-N 3.25Å
447	Y	93.7	Very high	86.3	Confident	4 Å²	4	65 Å²	65	2%	0.016	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	104.7	178.1	-62.7	-88.5	0	0	0	108.5	T330 I334 M418 L419 I420 T421 F445 T471 V473 V483	T330-Y447 HydrophobicContact CG2-CD1 4.19Å; T330-Y447 HydrophobicContact CG2-CG 4.37Å; I334-Y447 HydrophobicContact CD1-CE2 4.03Å; M418-Y447 HydrophobicContact CB-CE2 4.24Å; M418-Y447 HydrophobicContact CG-CE2 4.37Å; L419-Y447 PolarHBondContact O-N 3.32Å; I420-Y447 HydrophobicContact CG1-CD2 4.06Å; I420-Y447 HydrophobicContact CG1-CG 4.45Å; T421-Y447 PolarHBondContact N-O 2.83Å; T421-Y447 VanDerWaalsContact O-O 3.12Å; F445-Y447 HydrophobicContact CB-CE2 4.19Å; Y447-T471 WeakPolarHBondContact CD1-OG1 3.47Å; Y447-T471 WeakPolarHBondContact CE1-OG1 3.43Å; Y447-V473 HydrophobicContact CD1-CG2 4.39Å; Y447-V483 HydrophobicContact CE1-CG2 4.08Å
448	L	93	Very high	86.5	Confident	1 Å²	1	63.2 Å²	63.2	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	117.3	174.9	-176.4	70	0	0	0	109.6	T421 D422 A456 V459 Y470 T471 H472 V473	T421-L448 WeakPolarHBondContact O-CA 3.06Å; D422-L448 WeakPolarHBondContact O-CD1 3.26Å; L448-A456 HydrophobicContact CD2-CB 3.91Å; L448-V459 HydrophobicContact CB-CG1 4.49Å; L448-V459 HydrophobicContact CD1-CG2 4.38Å; L448-Y470 HydrophobicContact CB-CE2 3.99Å; L448-Y470 HydrophobicContact CD2-CE2 4.46Å; L448-Y470 VanDerWaalsContact CD2-OH 3.31Å; L448-Y470 WeakPolarHBondContact CD2-OH 3.38Å; L448-T471 PolarHBondContact N-O 2.57Å; L448-H472 PolarHBondContact O-CD2 2.98Å; L448-V473 PolarHBondContact O-N 2.89Å
449	I	92.7	Very high	86.7	Confident	1 Å²	1	58 Å²	58	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.5	-175.1	-68.3	-172.6	0	0	0	112.5	R323 I326 A327 I420 T421 D422	R323-I449 HydrophobicContact CB-CG2 3.99Å; R323-I449 HydrophobicContact CG-CG2 4.33Å; R323-I449 WeakPolarHBondContact O-CG2 3.48Å; I326-I449 HydrophobicContact CB-CG2 3.98Å; I326-I449 HydrophobicContact CG2-CD1 4.08Å; I326-I449 HydrophobicContact CG2-CG1 4.32Å; I326-I449 HydrophobicContact CG2-CG2 3.96Å; A327-I449 VanDerWaalsContact CA-CD1 3.4Å; A327-I449 HydrophobicContact CB-CD1 3.57Å; I420-I449 HydrophobicContact CG2-CD1 3.32Å; I420-I449 HydrophobicContact CG2-CG1 4.21Å; T421-I449 PolarHBondContact O-N 3.09Å; D422-I449 VanDerWaalsContact CB-O 3.3Å; D422-I449 WeakPolarHBondContact CB-O 3.33Å
450	G	86.4	Confident	87.2	Confident	5 Å²	5	55.4 Å²	55.4	5%	0.052	25%	0.252	C	S	.	.	S	Bend	trans	119.8	176.3	171.4	0	0	0	0	0	112.8	E452 H472 V473	G450-E452 VanDerWaalsContact C-N 3.34Å; G450-H472 PolarHBondContact O-CE1 3.47Å; G450-H472 PolarHBondContact O-NE2 2.76Å; G450-V473 PolarHBondContact N-O 3.47Å
451	R	83.6	Confident	87.3	Confident	199 Å²	199	55.5 Å²	55.5	75%	0.751	25%	0.253	S	S	*	.	S	Bend	trans	-81.5	-13.3	-177.1	-63.1	-179.4	179.8	178.7	-2.5	114
452	E	78.8	Confident	87.6	Confident	106 Å²	106	47.3 Å²	47.3	50%	0.495	22%	0.222	S	C	.	.			trans	-91	133.1	179.3	-73.5	151.1	-137.9	0	0	109.5	R323 G450	R323-E452 IonicContact CZ-OE2 2.77Å; R323-E452 IonicContact NH2-OE1 3.61Å; R323-E452 PolarHBondContact NH2-OE1 2.8Å; R323-E452 IonicContact NH2-OE2 2.72Å; R323-E452 PolarHBondContact NH2-OE2 2.83Å; G450-E452 VanDerWaalsContact C-N 3.34Å
453	M	78.3	Confident	87.6	Confident	122 Å²	122	47.1 Å²	47.1	60%	0.601	22%	0.221	S	C	*	.			trans	-107.9	20.2	178.1	-58.3	179.8	-151	0	0	112.2	F455 A456	M453-F455 PolarHBondContact O-N 2.69Å; M453-F455 VanDerWaalsContact O-N 3.08Å; M453-A456 HydrophobicContact CB-CB 4.16Å; M453-A456 VanDerWaalsContact O-CB 3.25Å; M453-A456 WeakPolarHBondContact O-CB 3.31Å; M453-A456 PolarHBondContact O-N 2.85Å
454	T	74.1	Confident	87.4	Confident	102 Å²	102	48.1 Å²	48.1	63%	0.626	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-25	-169.5	46.4	0	0	0	0	114.7
455	F	77.4	Confident	87.2	Confident	77 Å²	77	50.2 Å²	50.2	34%	0.338	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.7	16.5	179.7	-56.4	-70.7	0	0	0	113.1	M425 M453 E457 V459	M425-F455 HydrophobicContact CG-CE1 4.43Å; M453-F455 PolarHBondContact O-N 2.69Å; M453-F455 VanDerWaalsContact O-N 3.08Å; F455-E457 VanDerWaalsContact C-N 3.32Å; F455-E457 PolarHBondContact O-N 3.35Å; F455-V459 WeakPolarHBondContact O-CG2 3.5Å; F455-V459 PolarHBondContact O-N 2.8Å
456	A	83.6	Confident	87	Confident	19 Å²	19	50.1 Å²	50.1	16%	0.157	24%	0.239	C	C	.	.	H	α-helix	trans	-60.6	-36.9	-175.4	0	0	0	0	0	113.2	L448 M453 V459 K460 Y470	L448-A456 HydrophobicContact CD2-CB 3.91Å; M453-A456 HydrophobicContact CB-CB 4.16Å; M453-A456 VanDerWaalsContact O-CB 3.25Å; M453-A456 WeakPolarHBondContact O-CB 3.31Å; M453-A456 PolarHBondContact O-N 2.85Å; A456-V459 PolarHBondContact O-N 2.93Å; A456-K460 WeakPolarHBondContact O-CB 3.29Å; A456-K460 PolarHBondContact O-N 2.87Å; A456-Y470 WeakPolarHBondContact CB-OH 3.33Å
457	E	86.6	Confident	86.7	Confident	167 Å²	167	50.9 Å²	50.9	78%	0.78	24%	0.243	S	C	*	.	H	α-helix	trans	-62.3	-51	-178.8	-64.1	-173.4	164.9	0	0	112.3	F455 V459 K460 W461	F455-E457 VanDerWaalsContact C-N 3.32Å; F455-E457 PolarHBondContact O-N 3.35Å; E457-V459 PolarHBondContact O-N 3.35Å; E457-K460 PolarHBondContact O-N 2.94Å; E457-W461 WeakPolarHBondContact O-CB 3.38Å; E457-W461 PolarHBondContact O-N 3.23Å
458	N	88.1	Confident	86.6	Confident	42 Å²	42	50.9 Å²	50.9	23%	0.225	24%	0.243	C	C	.	.	H	α-helix	trans	-62	-45.3	178.7	-58.9	-1.3	0	0	0	111.3	A424 M425 W461 I462	A424-N458 PolarHBondContact O-ND2 3.28Å; M425-N458 PolarHBondContact O-ND2 2.89Å; N458-W461 WeakPolarHBondContact O-CB 3.48Å; N458-W461 PolarHBondContact O-N 3.09Å; N458-I462 WeakPolarHBondContact O-CG1 3.39Å; N458-I462 PolarHBondContact O-N 3.4Å
459	V	88.6	Confident	86.5	Confident	0 Å²	0	52 Å²	52	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-68.2	-35.8	-178.6	178.2	0	0	0	0	111.4	A424 T446 L448 F455 A456 E457 A463 Y470	A424-V459 HydrophobicContact CB-CG2 3.67Å; T446-V459 VanDerWaalsContact CB-CG1 3.49Å; T446-V459 HydrophobicContact CG2-CG1 4.15Å; T446-V459 PolarHBondContact OG1-O 2.65Å; L448-V459 HydrophobicContact CB-CG1 4.49Å; L448-V459 HydrophobicContact CD1-CG2 4.38Å; F455-V459 WeakPolarHBondContact O-CG2 3.5Å; F455-V459 PolarHBondContact O-N 2.8Å; A456-V459 PolarHBondContact O-N 2.93Å; E457-V459 PolarHBondContact O-N 3.35Å; V459-A463 PolarHBondContact O-N 2.97Å; V459-Y470 HydrophobicContact CB-CE2 4.3Å; V459-Y470 HydrophobicContact CG1-CD2 4.08Å; V459-Y470 HydrophobicContact CG1-CE2 4.01Å
460	K	89.3	Confident	86.5	Confident	53 Å²	53	53.2 Å²	53.2	23%	0.23	25%	0.252	C	S	.	.	H	α-helix	trans	-68	-42.6	171.5	179.7	164.2	176.7	148.3	0	111.7	A456 E457 I462 A463 C464 Y470 C1122 G1123	A456-K460 WeakPolarHBondContact O-CB 3.29Å; A456-K460 PolarHBondContact O-N 2.87Å; E457-K460 PolarHBondContact O-N 2.94Å; K460-I462 VanDerWaalsContact C-N 3.31Å; K460-I462 PolarHBondContact O-N 3.47Å; K460-A463 PolarHBondContact O-N 2.96Å; K460-C464 WeakPolarHBondContact O-CB 3.33Å; K460-C464 PolarHBondContact O-N 3.41Å; K460-C464 PolarHBondContact O-SG 3.05Å; K460-Y470 HydrophobicContact CB-CD1 4.25Å; K460-Y470 HydrophobicContact CB-CD2 3.8Å; K460-Y470 HydrophobicContact CB-CE2 4.26Å; K460-Y470 HydrophobicContact CB-CG 3.79Å; K460-Y470 HydrophobicContact CD-CD1 4.13Å; K460-Y470 HydrophobicContact CD-CG 4.38Å; K460-Y470 HydrophobicContact CG-CD1 4.3Å; K460-Y470 HydrophobicContact CG-CG 4.04Å; K460-C1122 WeakPolarHBondContact CE-O 3.5Å; K460-C1122 PolarHBondContact NZ-O 3.46Å; K460-G1123 PolarHBondContact NZ-O 3.31Å
461	W	89.2	Confident	86.7	Confident	79 Å²	79	53.3 Å²	53.3	30%	0.299	25%	0.252	S	S	.	.	H	α-helix	trans	-57.4	-43.7	176.6	-174.9	89.8	0	0	0	111.9	D427 K429 F432 E457 N458 A463 C464 N465	D427-W461 HydrophobicContact CB-CD2 4.3Å; D427-W461 HydrophobicContact CB-CE3 3.68Å; D427-W461 HydrophobicContact CB-CZ3 3.88Å; D427-W461 WeakPolarHBondContact O-CZ3 3.45Å; K429-W461 HydrophobicContact CB-CH2 4.29Å; K429-W461 HydrophobicContact CD-CH2 3.74Å; K429-W461 HydrophobicContact CD-CZ2 3.88Å; K429-W461 HydrophobicContact CD-CZ3 4.41Å; K429-W461 VanDerWaalsContact CE-CZ2 3.49Å; K429-W461 HydrophobicContact CG-CH2 3.56Å; K429-W461 HydrophobicContact CG-CZ2 4.24Å; K429-W461 HydrophobicContact CG-CZ3 3.91Å; F432-W461 HydrophobicContact CD2-CZ3 4.38Å; E457-W461 WeakPolarHBondContact O-CB 3.38Å; E457-W461 PolarHBondContact O-N 3.23Å; N458-W461 WeakPolarHBondContact O-CB 3.48Å; N458-W461 PolarHBondContact O-N 3.09Å; W461-A463 VanDerWaalsContact C-N 3.33Å; W461-A463 PolarHBondContact O-N 3.39Å; W461-C464 PolarHBondContact O-N 2.78Å; W461-N465 HydrophobicContact CD2-CB 4.37Å; W461-N465 HydrophobicContact CE3-CB 4.49Å; W461-N465 HydrophobicContact CH2-CB 4.2Å; W461-N465 WeakPolarHBondContact CH2-ND2 3.49Å; W461-N465 HydrophobicContact CZ2-CB 4.08Å; W461-N465 WeakPolarHBondContact CZ2-ND2 3.31Å; W461-N465 HydrophobicContact CZ3-CB 4.4Å; W461-N465 VanDerWaalsContact O-CB 3.23Å; W461-N465 WeakPolarHBondContact O-CB 2.97Å; W461-N465 PolarHBondContact O-N 2.78Å
462	I	90.4	Very high	87.1	Confident	2 Å²	2	45.8 Å²	45.8	1%	0.01	23%	0.226	C	C	.	.	H	α-helix	trans	-56.3	-45	176.6	-70.9	166.4	0	0	0	111.6	A424 F428 F432 V444 T446 N458 K460 N466	A424-I462 HydrophobicContact CB-CD1 4.29Å; F428-I462 HydrophobicContact CD2-CD1 4.17Å; F432-I462 HydrophobicContact CE2-CG1 4.18Å; F432-I462 HydrophobicContact CE2-CG2 4.23Å; F432-I462 HydrophobicContact CZ-CG1 4.45Å; F432-I462 HydrophobicContact CZ-CG2 3.71Å; V444-I462 HydrophobicContact CG1-CG2 3.77Å; T446-I462 HydrophobicContact CG2-CB 4.23Å; T446-I462 HydrophobicContact CG2-CG2 3.81Å; N458-I462 WeakPolarHBondContact O-CG1 3.39Å; N458-I462 PolarHBondContact O-N 3.4Å; K460-I462 VanDerWaalsContact C-N 3.31Å; K460-I462 PolarHBondContact O-N 3.47Å; I462-N466 PolarHBondContact O-ND2 2.84Å
463	A	90.9	Very high	87.7	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-70.7	-52.5	179.4	0	0	0	0	0	112.7	V444 T446 V459 K460 W461 N465 N466 K467 G468 Y469	V444-A463 VanDerWaalsContact O-CA 3.31Å; V444-A463 WeakPolarHBondContact O-CA 3.38Å; V444-A463 WeakPolarHBondContact O-CB 3.27Å; T446-A463 HydrophobicContact CG2-CB 4.12Å; T446-A463 WeakPolarHBondContact OG1-CB 3.42Å; V459-A463 PolarHBondContact O-N 2.97Å; K460-A463 PolarHBondContact O-N 2.96Å; W461-A463 VanDerWaalsContact C-N 3.33Å; W461-A463 PolarHBondContact O-N 3.39Å; A463-N465 VanDerWaalsContact C-N 3.33Å; A463-N465 PolarHBondContact O-N 2.74Å; A463-N466 CarbonylContact O-C 2.79Å; A463-N466 PolarHBondContact O-N 2.8Å; A463-N466 VanDerWaalsContact O-N 3.14Å; A463-K467 PolarHBondContact O-N 3.17Å; A463-G468 PolarHBondContact O-N 3.13Å; A463-Y469 WeakPolarHBondContact CB-O 3.37Å
464	C	89	Confident	88.2	Confident	29 Å²	29	36.6 Å²	36.6	20%	0.196	19%	0.185	C	C	.	.	H	α-helix	trans	-54.8	-47	-179.1	-66.5	0	0	0	0	112.2	K460 W461 N466 K467 C1122	K460-C464 WeakPolarHBondContact O-CB 3.33Å; K460-C464 PolarHBondContact O-N 3.41Å; K460-C464 PolarHBondContact O-SG 3.05Å; W461-C464 PolarHBondContact O-N 2.78Å; C464-N466 PolarHBondContact O-N 2.87Å; C464-K467 PolarHBondContact O-N 3Å; C464-C1122 HydrophobicContact CB-CB 3.85Å; C464-C1122 WeakPolarHBondContact CB-SG 3.42Å; C464-C1122 WeakPolarHBondContact SG-CB 3.14Å; C464-C1122 CovalentContact SG-SG 2.03Å; C464-C1122 PolarHBondContact SG-SG 3.38Å
465	N	89.2	Confident	88.9	Confident	43 Å²	43	34.1 Å²	34.1	23%	0.23	17%	0.17	C	C	.	.	H	α-helix	trans	-66	-26.1	-176	-167.2	44	0	0	0	112.7	F437 R440 W461 A463	F437-N465 WeakPolarHBondContact CE2-ND2 3.48Å; F437-N465 WeakPolarHBondContact CZ-ND2 3.31Å; R440-N465 WeakPolarHBondContact CD-O 3.42Å; W461-N465 HydrophobicContact CD2-CB 4.37Å; W461-N465 HydrophobicContact CE3-CB 4.49Å; W461-N465 HydrophobicContact CH2-CB 4.2Å; W461-N465 WeakPolarHBondContact CH2-ND2 3.49Å; W461-N465 HydrophobicContact CZ2-CB 4.08Å; W461-N465 WeakPolarHBondContact CZ2-ND2 3.31Å; W461-N465 HydrophobicContact CZ3-CB 4.4Å; W461-N465 VanDerWaalsContact O-CB 3.23Å; W461-N465 WeakPolarHBondContact O-CB 2.97Å; W461-N465 PolarHBondContact O-N 2.78Å; A463-N465 VanDerWaalsContact C-N 3.33Å; A463-N465 PolarHBondContact O-N 2.74Å
466	N	89.8	Confident	89.4	Confident	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	27.9	-177.1	-65.6	-79.7	0	0	0	113.5	F432 N436 R443 V444 I462 A463 C464 G468	F432-N466 VanDerWaalsContact CD1-ND2 3.33Å; F432-N466 WeakPolarHBondContact CD1-ND2 3.48Å; F432-N466 VanDerWaalsContact CD1-OD1 3.31Å; F432-N466 WeakPolarHBondContact CD1-OD1 3.4Å; F432-N466 WeakPolarHBondContact CE1-ND2 3.48Å; N436-N466 PolarHBondContact ND2-OD1 3.02Å; R443-N466 WeakPolarHBondContact CA-O 2.95Å; V444-N466 HydrophobicContact CB-CB 3.79Å; V444-N466 HydrophobicContact CG2-CB 3.64Å; V444-N466 PolarHBondContact N-O 2.04Å; I462-N466 PolarHBondContact O-ND2 2.84Å; A463-N466 CarbonylContact O-C 2.79Å; A463-N466 PolarHBondContact O-N 2.8Å; A463-N466 VanDerWaalsContact O-N 3.14Å; C464-N466 PolarHBondContact O-N 2.87Å; N466-G468 PolarHBondContact O-N 2.87Å; N466-G468 VanDerWaalsContact O-N 3.11Å
467	K	88.8	Confident	89.4	Confident	18 Å²	18	37 Å²	37	8%	0.078	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	29.5	177	-48.8	177.8	-173.1	151.1	0	114.5	E439 R440 A463 C464 A1119	E439-K467 PolarHBondContact O-NZ 3.17Å; R440-K467 HydrophobicContact CB-CD 4.34Å; R440-K467 HydrophobicContact CB-CG 4.45Å; R440-K467 PolarHBondContact O-NZ 3.15Å; A463-K467 PolarHBondContact O-N 3.17Å; C464-K467 PolarHBondContact O-N 3Å; K467-A1119 HydrophobicContact CB-CB 4.42Å; K467-A1119 HydrophobicContact CG-CB 3.94Å
468	G	89.9	Confident	89.4	Confident	3 Å²	3	31.2 Å²	31.2	3%	0.031	17%	0.171	C	C	.	.			trans	-109.9	-164.9	174.9	0	0	0	0	0	112	V444 A463 N466	V444-G468 WeakPolarHBondContact O-CA 3.28Å; A463-G468 PolarHBondContact O-N 3.13Å; N466-G468 PolarHBondContact O-N 2.87Å; N466-G468 VanDerWaalsContact O-N 3.11Å
469	Y	91.8	Very high	89.3	Confident	25 Å²	25	29.2 Å²	29.2	10%	0.098	16%	0.161	C	C	.	.			trans	-124.8	147.2	-176.7	-153.5	-117.5	0	0	0	111.9	F445 T446 A463 T471 E485 V489 G1124	F445-Y469 WeakPolarHBondContact CA-O 3.35Å; F445-Y469 VanDerWaalsContact CD1-N 3.34Å; T446-Y469 PolarHBondContact N-O 3.03Å; A463-Y469 WeakPolarHBondContact CB-O 3.37Å; Y469-T471 HydrophobicContact CD1-CG2 3.61Å; Y469-T471 HydrophobicContact CE1-CG2 3.92Å; Y469-E485 HydrophobicContact CD1-CB 3.84Å; Y469-E485 HydrophobicContact CE1-CB 3.66Å; Y469-E485 HydrophobicContact CE1-CG 3.91Å; Y469-E485 WeakPolarHBondContact CE1-OE2 3.49Å; Y469-E485 PolarHBondContact OH-OE2 3.06Å; Y469-E485 VanDerWaalsContact OH-OE2 3.11Å; Y469-V489 HydrophobicContact CD2-CG2 3.84Å; Y469-V489 HydrophobicContact CG-CG2 4.05Å; Y469-G1124 PolarHBondContact OH-N 3.41Å
470	Y	92.3	Very high	89.2	Confident	26 Å²	26	32.2 Å²	32.2	10%	0.102	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	128.6	176.8	165.6	-93.2	0	0	0	109.2	L448 A456 V459 K460 H472 G1123	L448-Y470 HydrophobicContact CB-CE2 3.99Å; L448-Y470 HydrophobicContact CD2-CE2 4.46Å; L448-Y470 VanDerWaalsContact CD2-OH 3.31Å; L448-Y470 WeakPolarHBondContact CD2-OH 3.38Å; A456-Y470 WeakPolarHBondContact CB-OH 3.33Å; V459-Y470 HydrophobicContact CB-CE2 4.3Å; V459-Y470 HydrophobicContact CG1-CD2 4.08Å; V459-Y470 HydrophobicContact CG1-CE2 4.01Å; K460-Y470 HydrophobicContact CB-CD1 4.25Å; K460-Y470 HydrophobicContact CB-CD2 3.8Å; K460-Y470 HydrophobicContact CB-CE2 4.26Å; K460-Y470 HydrophobicContact CB-CG 3.79Å; K460-Y470 HydrophobicContact CD-CD1 4.13Å; K460-Y470 HydrophobicContact CD-CG 4.38Å; K460-Y470 HydrophobicContact CG-CD1 4.3Å; K460-Y470 HydrophobicContact CG-CG 4.04Å; Y470-H472 HydrophobicContact CE1-CB 4.48Å; Y470-G1123 WeakPolarHBondContact O-CA 3.37Å
471	T	90.9	Very high	88.9	Confident	8 Å²	8	32.6 Å²	32.6	5%	0.049	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	149.9	175.2	62.3	0	0	0	0	111.4	T446 Y447 L448 Y469 N482	T446-T471 PolarHBondContact O-N 3.25Å; Y447-T471 WeakPolarHBondContact CD1-OG1 3.47Å; Y447-T471 WeakPolarHBondContact CE1-OG1 3.43Å; L448-T471 PolarHBondContact N-O 2.57Å; Y469-T471 HydrophobicContact CD1-CG2 3.61Å; Y469-T471 HydrophobicContact CE1-CG2 3.92Å; T471-N482 HydrophobicContact CG2-CB 4.43Å
472	H	91.4	Very high	88.8	Confident	41 Å²	41	30.7 Å²	30.7	19%	0.19	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	119.4	178.9	-179.4	-127.8	0	0	0	109.4	L448 G450 Y470	L448-H472 PolarHBondContact O-CD2 2.98Å; G450-H472 PolarHBondContact O-CE1 3.47Å; G450-H472 PolarHBondContact O-NE2 2.76Å; Y470-H472 HydrophobicContact CE1-CB 4.48Å
473	V	91.3	Very high	88.7	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	103.9	-173.6	-175.2	0	0	0	0	108.9	I326 Y447 L448 G450 V479 N482	I326-V473 HydrophobicContact CG2-CB 4.43Å; I326-V473 HydrophobicContact CG2-CG1 3.54Å; Y447-V473 HydrophobicContact CD1-CG2 4.39Å; L448-V473 PolarHBondContact O-N 2.89Å; G450-V473 PolarHBondContact N-O 3.47Å; V473-V479 HydrophobicContact CG1-CG2 3.65Å; V473-N482 HydrophobicContact CG2-CB 4.09Å
474	S	89.1	Confident	88.5	Confident	35 Å²	35	31 Å²	31	25%	0.245	17%	0.174	C	C	.	.			trans	-99.2	-31	-172.1	85.9	0	0	0	0	113.3	D478	S474-D478 WeakPolarHBondContact CA-OD2 3.38Å; S474-D478 WeakPolarHBondContact CB-OD2 3.39Å; S474-D478 PolarHBondContact N-OD2 2.82Å; S474-D478 PolarHBondContact OG-OD2 2.84Å
475	T	89.7	Confident	88.3	Confident	50 Å²	50	32.8 Å²	32.8	31%	0.307	18%	0.18	S	C	.	.	S	Bend	trans	-129	173.7	178.1	92.8	0	0	0	0	112.1	A477 D478	T475-A477 PolarHBondContact OG1-N 2.96Å; T475-D478 WeakPolarHBondContact CB-OD1 3.19Å; T475-D478 PolarHBondContact N-OD2 2.91Å; T475-D478 VanDerWaalsContact OG1-CG 3.26Å; T475-D478 PolarHBondContact OG1-N 3.36Å; T475-D478 PolarHBondContact OG1-OD1 3.14Å
476	L	87.9	Confident	88.3	Confident	73 Å²	73	30.8 Å²	30.8	38%	0.382	17%	0.169	S	C	.	.	S	Bend	trans	-72.9	-26.1	172.8	-70.3	168.6	0	0	0	113	I326 H329 V479	I326-L476 HydrophobicContact CB-CD2 4.39Å; I326-L476 HydrophobicContact CG1-CD2 3.88Å; I326-L476 HydrophobicContact CG1-CG 4.18Å; H329-L476 HydrophobicContact CB-CD2 3.75Å; L476-V479 WeakPolarHBondContact O-CB 3.23Å; L476-V479 WeakPolarHBondContact O-CG2 3.16Å
477	A	83.8	Confident	88.3	Confident	83 Å²	83	31 Å²	31	69%	0.686	17%	0.171	S	C	*	.	S	Bend	trans	-73.3	-36.6	178.7	0	0	0	0	0	111.2	T475 V479	T475-A477 PolarHBondContact OG1-N 2.96Å; A477-V479 PolarHBondContact O-N 3.41Å; A477-V479 VanDerWaalsContact O-N 3.12Å
478	D	85.1	Confident	88.2	Confident	45 Å²	45	32.2 Å²	32.2	24%	0.241	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.1	178.9	-38.7	-7.4	0	0	0	112.6	S474 T475 Q480 N482	S474-D478 WeakPolarHBondContact CA-OD2 3.38Å; S474-D478 WeakPolarHBondContact CB-OD2 3.39Å; S474-D478 PolarHBondContact N-OD2 2.82Å; S474-D478 PolarHBondContact OG-OD2 2.84Å; T475-D478 WeakPolarHBondContact CB-OD1 3.19Å; T475-D478 PolarHBondContact N-OD2 2.91Å; T475-D478 VanDerWaalsContact OG1-CG 3.26Å; T475-D478 PolarHBondContact OG1-N 3.36Å; T475-D478 PolarHBondContact OG1-OD1 3.14Å; D478-Q480 PolarHBondContact O-N 2.89Å; D478-N482 WeakPolarHBondContact O-CB 3.41Å; D478-N482 PolarHBondContact O-N 3.45Å; D478-N482 PolarHBondContact O-ND2 3.17Å
479	V	87.8	Confident	88.2	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.8	-43.3	-171	175	0	0	0	0	112.3	I326 T333 V473 L476 A477 V483	I326-V479 HydrophobicContact CG2-CG2 4.18Å; T333-V479 HydrophobicContact CG2-CG1 4.37Å; V473-V479 HydrophobicContact CG1-CG2 3.65Å; L476-V479 WeakPolarHBondContact O-CB 3.23Å; L476-V479 WeakPolarHBondContact O-CG2 3.16Å; A477-V479 PolarHBondContact O-N 3.41Å; A477-V479 VanDerWaalsContact O-N 3.12Å; V479-V483 HydrophobicContact CG1-CG2 4.22Å; V479-V483 WeakPolarHBondContact O-CB 3.47Å; V479-V483 VanDerWaalsContact O-CG2 3.23Å; V479-V483 WeakPolarHBondContact O-CG2 3.47Å; V479-V483 PolarHBondContact O-N 3.03Å
480	Q	84.9	Confident	88.1	Confident	63 Å²	63	31.2 Å²	31.2	29%	0.294	17%	0.172	S	C	.	.	H	α-helix	trans	-65.4	-54.9	-172.5	-178.4	167.4	-31.2	0	0	111.4	D292 N295 D478 V483 M484	D292-Q480 PolarHBondContact OD2-NE2 2.88Å; N295-Q480 PolarHBondContact ND2-NE2 3.25Å; D478-Q480 PolarHBondContact O-N 2.89Å; Q480-V483 PolarHBondContact O-N 2.83Å; Q480-M484 WeakPolarHBondContact O-CG 3.46Å; Q480-M484 PolarHBondContact O-N 3.35Å
481	E	83.6	Confident	87.9	Confident	61 Å²	61	30 Å²	30	29%	0.285	17%	0.167	S	C	.	.	H	α-helix	trans	-61.1	-49	179.9	-58.3	-56	138.4	0	0	111.6	N229 R294 V483 M484	N229-E481 PolarHBondContact ND2-OE1 3.18Å; R294-E481 IonicContact CZ-OE1 2.7Å; R294-E481 IonicContact CZ-OE2 2.75Å; R294-E481 IonicContact NH1-OE1 3.88Å; R294-E481 IonicContact NH1-OE2 3.65Å; R294-E481 PolarHBondContact NH1-OE2 3.38Å; R294-E481 VanDerWaalsContact NH2-CD 3.31Å; R294-E481 IonicContact NH2-OE1 3.4Å; R294-E481 PolarHBondContact NH2-OE1 2.94Å; R294-E481 IonicContact NH2-OE2 2.76Å; R294-E481 PolarHBondContact NH2-OE2 2.84Å; E481-V483 VanDerWaalsContact C-N 3.26Å; E481-V483 PolarHBondContact O-N 2.68Å; E481-M484 PolarHBondContact O-N 3.24Å; E481-M484 VanDerWaalsContact O-N 3.12Å
482	N	87.8	Confident	87.7	Confident	40 Å²	40	30.9 Å²	30.9	21%	0.214	17%	0.17	C	C	.	.	H	α-helix	trans	-64.6	-25.4	-179.1	-77.9	-71.9	0	0	0	114	T471 V473 D478	T471-N482 HydrophobicContact CG2-CB 4.43Å; V473-N482 HydrophobicContact CG2-CB 4.09Å; D478-N482 WeakPolarHBondContact O-CB 3.41Å; D478-N482 PolarHBondContact O-N 3.45Å; D478-N482 PolarHBondContact O-ND2 3.17Å
483	V	88.3	Confident	87.6	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-75.4	-40.1	174	169.2	0	0	0	0	110.7	T330 T333 I334 Y447 V479 Q480 E481 E485 Y486	T330-V483 HydrophobicContact CG2-CG2 3.9Å; T333-V483 HydrophobicContact CG2-CB 3.98Å; T333-V483 HydrophobicContact CG2-CG1 3.98Å; T333-V483 HydrophobicContact CG2-CG2 4.2Å; I334-V483 HydrophobicContact CG1-CG1 3.7Å; I334-V483 HydrophobicContact CG1-CG2 4.08Å; Y447-V483 HydrophobicContact CE1-CG2 4.08Å; V479-V483 HydrophobicContact CG1-CG2 4.22Å; V479-V483 WeakPolarHBondContact O-CB 3.47Å; V479-V483 VanDerWaalsContact O-CG2 3.23Å; V479-V483 WeakPolarHBondContact O-CG2 3.47Å; V479-V483 PolarHBondContact O-N 3.03Å; Q480-V483 PolarHBondContact O-N 2.83Å; E481-V483 VanDerWaalsContact C-N 3.26Å; E481-V483 PolarHBondContact O-N 2.68Å; V483-E485 PolarHBondContact O-N 3.31Å; V483-Y486 HydrophobicContact CG1-CD1 4.32Å; V483-Y486 HydrophobicContact CG1-CE1 4.14Å; V483-Y486 WeakPolarHBondContact O-CD1 3.32Å; V483-Y486 PolarHBondContact O-N 3.22Å
484	M	85.1	Confident	87.4	Confident	7 Å²	7	29.2 Å²	29.2	3%	0.034	16%	0.162	C	C	.	.	H	α-helix	trans	-64.6	-26.7	-175.6	-63.6	-59.8	152.4	0	0	113.7	N295 T333 T337 Q480 E481 Y486 L487	N295-M484 WeakPolarHBondContact OD1-CE 3.22Å; T333-M484 HydrophobicContact CG2-CE 4.41Å; T337-M484 HydrophobicContact CG2-CE 3.31Å; T337-M484 HydrophobicContact CG2-SD 3.65Å; Q480-M484 WeakPolarHBondContact O-CG 3.46Å; Q480-M484 PolarHBondContact O-N 3.35Å; E481-M484 PolarHBondContact O-N 3.24Å; E481-M484 VanDerWaalsContact O-N 3.12Å; M484-Y486 PolarHBondContact O-N 2.75Å; M484-L487 VanDerWaalsContact O-CB 3.29Å; M484-L487 WeakPolarHBondContact O-CB 3.39Å; M484-L487 PolarHBondContact O-N 3.44Å; M484-L487 HydrophobicContact SD-CD1 3.83Å
485	E	86.3	Confident	87.2	Confident	67 Å²	67	27.8 Å²	27.8	31%	0.313	15%	0.152	S	C	.	.	H	α-helix	trans	-50	-32.3	175.6	-72.3	-66.7	128.8	0	0	114.7	Y469 V483 L487 H488 V489	Y469-E485 HydrophobicContact CD1-CB 3.84Å; Y469-E485 HydrophobicContact CE1-CB 3.66Å; Y469-E485 HydrophobicContact CE1-CG 3.91Å; Y469-E485 WeakPolarHBondContact CE1-OE2 3.49Å; Y469-E485 PolarHBondContact OH-OE2 3.06Å; Y469-E485 VanDerWaalsContact OH-OE2 3.11Å; V483-E485 PolarHBondContact O-N 3.31Å; E485-L487 PolarHBondContact O-N 3.36Å; E485-H488 PolarHBondContact O-N 3.48Å; E485-V489 PolarHBondContact O-N 2.88Å
486	Y	89.6	Confident	86.9	Confident	2 Å²	2	26.1 Å²	26.1	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-65.4	-28.1	179.3	90.2	-108	0	0	0	112.1	K307 T337 M418 V483 M484 V489 L490	K307-Y486 HydrophobicContact CD-CE2 4.17Å; K307-Y486 WeakPolarHBondContact CE-OH 3.32Å; T337-Y486 VanDerWaalsContact CB-OH 3.27Å; T337-Y486 WeakPolarHBondContact CB-OH 3.49Å; T337-Y486 PolarHBondContact OG1-OH 3.04Å; M418-Y486 HydrophobicContact CE-CD1 3.8Å; M418-Y486 HydrophobicContact CE-CD2 3.93Å; M418-Y486 HydrophobicContact CE-CE1 3.83Å; M418-Y486 HydrophobicContact CE-CE2 3.96Å; M418-Y486 HydrophobicContact CE-CG 3.91Å; V483-Y486 HydrophobicContact CG1-CD1 4.32Å; V483-Y486 HydrophobicContact CG1-CE1 4.14Å; V483-Y486 WeakPolarHBondContact O-CD1 3.32Å; V483-Y486 PolarHBondContact O-N 3.22Å; M484-Y486 PolarHBondContact O-N 2.75Å; Y486-V489 PolarHBondContact O-N 2.83Å; Y486-L490 HydrophobicContact CD2-CD1 3.65Å; Y486-L490 HydrophobicContact CD2-CG 4.18Å; Y486-L490 HydrophobicContact CE2-CD1 3.69Å; Y486-L490 WeakPolarHBondContact O-CG 3.32Å; Y486-L490 PolarHBondContact O-N 3.49Å
487	L	89.1	Confident	86.6	Confident	5 Å²	5	25.9 Å²	25.9	3%	0.026	14%	0.14	C	C	.	.	H	α-helix	trans	-64.6	-43.2	178.2	-61.7	171.4	0	0	0	110.7	I300 T304 M484 E485 V489 L490 S491	I300-L487 HydrophobicContact CG1-CD1 4.12Å; I300-L487 HydrophobicContact CG2-CD2 4.13Å; T304-L487 HydrophobicContact CG2-CB 4.04Å; T304-L487 HydrophobicContact CG2-CD2 3.71Å; M484-L487 VanDerWaalsContact O-CB 3.29Å; M484-L487 WeakPolarHBondContact O-CB 3.39Å; M484-L487 PolarHBondContact O-N 3.44Å; M484-L487 HydrophobicContact SD-CD1 3.83Å; E485-L487 PolarHBondContact O-N 3.36Å; L487-V489 PolarHBondContact O-N 3.18Å; L487-L490 PolarHBondContact O-N 3.23Å; L487-L490 VanDerWaalsContact O-N 3.13Å; L487-S491 PolarHBondContact O-N 3.11Å
488	H	87.1	Confident	86.3	Confident	43 Å²	43	25.6 Å²	25.6	20%	0.199	13%	0.125	C	C	.	.	H	α-helix	trans	-63.1	-28.5	176	-67.2	-62.3	0	0	0	113.1	E485 S491 R492	E485-H488 PolarHBondContact O-N 3.48Å; H488-S491 PolarHBondContact O-OG 3.17Å; H488-R492 WeakPolarHBondContact O-CG 3.18Å
489	V	88.7	Confident	86.1	Confident	4 Å²	4	26.4 Å²	26.4	2%	0.024	13%	0.129	C	C	.	.	H	α-helix	trans	-79.1	-34.1	174.2	176.8	0	0	0	0	111.9	R443 F445 Y469 E485 Y486 L487	R443-V489 PolarHBondContact NH1-O 2.9Å; F445-V489 HydrophobicContact CE1-CB 4.06Å; F445-V489 HydrophobicContact CE1-CG1 4.02Å; F445-V489 HydrophobicContact CZ-CB 4.4Å; F445-V489 HydrophobicContact CZ-CG1 4.17Å; Y469-V489 HydrophobicContact CD2-CG2 3.84Å; Y469-V489 HydrophobicContact CG-CG2 4.05Å; E485-V489 PolarHBondContact O-N 2.88Å; Y486-V489 PolarHBondContact O-N 2.83Å; L487-V489 PolarHBondContact O-N 3.18Å
490	L	89.6	Confident	85.8	Confident	2 Å²	2	29.5 Å²	29.5	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-74.6	-23.7	174.7	-67.6	-177	0	0	0	113.5	T304 K307 R443 F445 Y486 L487 P493	T304-L490 HydrophobicContact CG2-CB 3.93Å; K307-L490 HydrophobicContact CD-CD1 3.79Å; R443-L490 VanDerWaalsContact CD-CD2 3.48Å; F445-L490 HydrophobicContact CE2-CD2 4.36Å; F445-L490 HydrophobicContact CZ-CD2 4.15Å; F445-L490 HydrophobicContact CZ-CG 4.33Å; Y486-L490 HydrophobicContact CD2-CD1 3.65Å; Y486-L490 HydrophobicContact CD2-CG 4.18Å; Y486-L490 HydrophobicContact CE2-CD1 3.69Å; Y486-L490 WeakPolarHBondContact O-CG 3.32Å; Y486-L490 PolarHBondContact O-N 3.49Å; L487-L490 PolarHBondContact O-N 3.23Å; L487-L490 VanDerWaalsContact O-N 3.13Å; L490-P493 WeakPolarHBondContact O-CD 3.42Å
491	S	88.8	Confident	85.8	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.007	14%	0.14	C	C	.	.	H	α-helix	trans	-76.2	-22	177.4	66.7	0	0	0	0	113.6	A303 L487 H488 M494 V495	A303-S491 WeakPolarHBondContact O-CB 3.34Å; L487-S491 PolarHBondContact O-N 3.11Å; H488-S491 PolarHBondContact O-OG 3.17Å; S491-M494 WeakPolarHBondContact O-CB 3.32Å; S491-M494 PolarHBondContact O-N 3.19Å; S491-M494 VanDerWaalsContact O-N 3.14Å; S491-V495 WeakPolarHBondContact O-CG2 3.38Å; S491-V495 PolarHBondContact O-N 3.4Å
492	R	87.7	Confident	86.1	Confident	27 Å²	27	27.4 Å²	27.4	10%	0.102	14%	0.136	C	C	.	.	H	α-helix	trans	-50.7	-47	-172.9	-60.5	-179.5	177.9	179.8	-5.5	114.2	H488 M494 V495 I496 E1117 N1118 D1121	H488-R492 WeakPolarHBondContact O-CG 3.18Å; R492-M494 PolarHBondContact O-N 2.74Å; R492-V495 PolarHBondContact O-N 2.91Å; R492-I496 WeakPolarHBondContact O-CD1 3.27Å; R492-I496 VanDerWaalsContact O-CG1 3.23Å; R492-I496 WeakPolarHBondContact O-CG1 3.16Å; R492-I496 PolarHBondContact O-N 3.38Å; R492-E1117 HydrophobicContact CB-CG 4.43Å; R492-N1118 PolarHBondContact NH1-O 3.3Å; R492-D1121 IonicContact CZ-OD2 2.84Å; R492-D1121 PolarHBondContact NH1-O 3.25Å; R492-D1121 IonicContact NH1-OD2 2.72Å; R492-D1121 IonicContact NH2-OD2 3.32Å; R492-D1121 PolarHBondContact NH2-OD2 2.91Å
493	P	87.9	Confident	86.3	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-62.8	-41.4	-179.3	-22.5	35.1	0	0	0	113.2	R443 L490 I496 N497 H1111 H1114	R443-P493 VanDerWaalsContact NH2-CG 3.33Å; L490-P493 WeakPolarHBondContact O-CD 3.42Å; P493-I496 PolarHBondContact O-N 2.71Å; P493-N497 PolarHBondContact O-N 3.23Å; P493-H1111 HydrophobicContact CB-CB 4.41Å; P493-H1114 HydrophobicContact CB-CB 4.11Å
494	M	87.4	Confident	86.5	Confident	5 Å²	5	28.1 Å²	28.1	3%	0.025	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-44	178.1	-176.9	179.1	65.1	0	0	111.2	A302 A303 S491 R492 I496 N497 H498 D499 P530 F532 H1111	A302-M494 WeakPolarHBondContact O-CE 3.49Å; A303-M494 VanDerWaalsContact O-CE 3.23Å; A303-M494 WeakPolarHBondContact O-CE 3.44Å; S491-M494 WeakPolarHBondContact O-CB 3.32Å; S491-M494 PolarHBondContact O-N 3.19Å; S491-M494 VanDerWaalsContact O-N 3.14Å; R492-M494 PolarHBondContact O-N 2.74Å; M494-I496 PolarHBondContact O-N 3.35Å; M494-N497 PolarHBondContact O-N 2.95Å; M494-H498 PolarHBondContact O-N 3.27Å; M494-D499 PolarHBondContact O-N 3.13Å; M494-P530 HydrophobicContact CE-CB 4.17Å; M494-P530 HydrophobicContact CE-CG 4.09Å; M494-P530 HydrophobicContact SD-CG 4.39Å; M494-F532 HydrophobicContact CE-CE1 4.03Å; M494-F532 HydrophobicContact CE-CZ 3.91Å; M494-F532 HydrophobicContact CG-CZ 4.06Å; M494-F532 HydrophobicContact SD-CZ 4.48Å; M494-H1111 HydrophobicContact CB-CB 3.8Å; M494-H1111 HydrophobicContact CG-CB 4.5Å
495	V	85.1	Confident	86.8	Confident	5 Å²	5	27.9 Å²	27.9	3%	0.03	14%	0.137	C	C	.	.	H	α-helix	trans	-61.6	-44.2	178.1	-176.4	0	0	0	0	111	S491 R492 N497 H498 F532 G542	S491-V495 WeakPolarHBondContact O-CG2 3.38Å; S491-V495 PolarHBondContact O-N 3.4Å; R492-V495 PolarHBondContact O-N 2.91Å; V495-N497 PolarHBondContact O-N 3.48Å; V495-H498 PolarHBondContact O-N 3.2Å; V495-H498 VanDerWaalsContact O-N 3.11Å; V495-H498 PolarHBondContact O-ND1 2.8Å; V495-F532 HydrophobicContact CB-CD1 3.89Å; V495-F532 HydrophobicContact CB-CE1 4.07Å; V495-F532 HydrophobicContact CB-CG 4.42Å; V495-F532 HydrophobicContact CG1-CB 3.97Å; V495-F532 HydrophobicContact CG1-CD1 3.68Å; V495-F532 HydrophobicContact CG1-CE1 4.37Å; V495-F532 HydrophobicContact CG1-CG 3.91Å; V495-F532 HydrophobicContact CG2-CD1 3.47Å; V495-F532 VanDerWaalsContact CG2-CD1 3.47Å; V495-F532 HydrophobicContact CG2-CE1 3.43Å; V495-F532 VanDerWaalsContact CG2-CE1 3.43Å; V495-F532 HydrophobicContact CG2-CG 4.45Å; V495-F532 HydrophobicContact CG2-CZ 4.39Å; V495-G542 VanDerWaalsContact CG1-C 3.48Å
496	I	83.3	Confident	87	Confident	15 Å²	15	25.1 Å²	25.1	8%	0.077	12%	0.124	C	C	.	.	H	α-helix	trans	-67.1	-37	-177.4	-61.2	160.5	0	0	0	111.4	R492 P493 M494 H498 H1114 E1117	R492-I496 WeakPolarHBondContact O-CD1 3.27Å; R492-I496 VanDerWaalsContact O-CG1 3.23Å; R492-I496 WeakPolarHBondContact O-CG1 3.16Å; R492-I496 PolarHBondContact O-N 3.38Å; P493-I496 PolarHBondContact O-N 2.71Å; M494-I496 PolarHBondContact O-N 3.35Å; I496-H498 PolarHBondContact O-N 3.07Å; I496-H498 PolarHBondContact O-ND1 2.67Å; I496-H1114 WeakPolarHBondContact CG2-CE1 3.38Å; I496-H1114 VanDerWaalsContact CG2-ND1 3.31Å; I496-H1114 WeakPolarHBondContact CG2-ND1 3.29Å; I496-E1117 HydrophobicContact CD1-CB 4.3Å
497	N	81.1	Confident	87	Confident	68 Å²	68	25.1 Å²	25.1	36%	0.364	12%	0.124	S	C	.	.	H	α-helix	trans	-66.1	-20.9	174.3	-74.6	0.1	0	0	0	113.6	P493 M494 V495 D499 H1114	P493-N497 PolarHBondContact O-N 3.23Å; M494-N497 PolarHBondContact O-N 2.95Å; V495-N497 PolarHBondContact O-N 3.48Å; N497-D499 HydrophobicContact CB-CB 4.17Å; N497-D499 WeakPolarHBondContact CB-OD2 3.47Å; N497-D499 PolarHBondContact ND2-OD2 3.36Å; N497-D499 PolarHBondContact O-N 2.8Å; N497-H1114 PolarHBondContact OD1-CD2 2.86Å
498	H	79.2	Confident	86.9	Confident	77 Å²	77	26.9 Å²	26.9	36%	0.356	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	59	33.6	-166.8	-57.1	60.8	0	0	0	112.6	M494 V495 I496 H500 L539	M494-H498 PolarHBondContact O-N 3.27Å; V495-H498 PolarHBondContact O-N 3.2Å; V495-H498 VanDerWaalsContact O-N 3.11Å; V495-H498 PolarHBondContact O-ND1 2.8Å; I496-H498 PolarHBondContact O-N 3.07Å; I496-H498 PolarHBondContact O-ND1 2.67Å; H498-H500 PolarHBondContact O-N 3.12Å; H498-L539 VanDerWaalsContact CE1-CD2 3.46Å; H498-L539 WeakPolarHBondContact CE1-CD2 3.41Å
499	D	79.1	Confident	86.5	Confident	62 Å²	62	25.2 Å²	25.2	33%	0.332	12%	0.123	S	C	.	.			trans	-84.9	104.9	178.1	-75.6	-37.1	0	0	0	110.3	M494 N497 D501 H1111	M494-D499 PolarHBondContact O-N 3.13Å; N497-D499 HydrophobicContact CB-CB 4.17Å; N497-D499 WeakPolarHBondContact CB-OD2 3.47Å; N497-D499 PolarHBondContact ND2-OD2 3.36Å; N497-D499 PolarHBondContact O-N 2.8Å; D499-D501 VanDerWaalsContact C-N 3.35Å; D499-D501 PolarHBondContact O-N 3.02Å; D499-D501 VanDerWaalsContact O-N 3.12Å; D499-H1111 IonicContact OD2-CE1 3.59Å; D499-H1111 PolarHBondContact OD2-CE1 3.28Å; D499-H1111 IonicContact OD2-ND1 3.44Å; D499-H1111 IonicContact OD2-NE2 2.76Å
500	H	81.6	Confident	85.5	Confident	65 Å²	65	26.3 Å²	26.3	30%	0.301	13%	0.129	S	C	.	.			trans	-84.8	73.2	175.6	-60.3	106.2	0	0	0	112.5	E166 H498 I502 M529 F532	E166-H500 IonicContact OE1-CD2 3.27Å; E166-H500 IonicContact OE1-CE1 2.84Å; E166-H500 IonicContact OE1-NE2 3.99Å; E166-H500 PolarHBondContact OE1-NE2 2.95Å; E166-H500 IonicContact OE2-CE1 3.53Å; E166-H500 IonicContact OE2-NE2 2.87Å; H498-H500 PolarHBondContact O-N 3.12Å; H500-I502 PolarHBondContact O-N 3.28Å; H500-M529 HydrophobicContact CB-CE 3.47Å; H500-M529 VanDerWaalsContact CB-CE 3.47Å; H500-M529 HydrophobicContact CB-CG 4.28Å; H500-M529 HydrophobicContact CB-SD 4.46Å; H500-F532 AromaticContact CD2-CD2 3.87Å; H500-F532 AromaticContact CD2-CE2 3.77Å; H500-F532 AromaticContact NE2-CD2 3.67Å
501	D	85.5	Confident	84	Confident	41 Å²	41	28.5 Å²	28.5	22%	0.219	14%	0.144	C	C	.	.			trans	-64.3	123.7	172.9	-74.9	-20.1	0	0	0	110.8	D499 P530 S1109 H1111	D499-D501 VanDerWaalsContact C-N 3.35Å; D499-D501 PolarHBondContact O-N 3.02Å; D499-D501 VanDerWaalsContact O-N 3.12Å; D501-P530 WeakPolarHBondContact O-CD 3.35Å; D501-S1109 VanDerWaalsContact CG-OG 3.23Å; D501-S1109 WeakPolarHBondContact OD2-CB 3.17Å; D501-S1109 PolarHBondContact OD2-OG 3.35Å; D501-H1111 IonicContact OD1-NE2 3.71Å; D501-H1111 IonicContact OD2-CD2 3.83Å; D501-H1111 PolarHBondContact OD2-CD2 3.35Å; D501-H1111 IonicContact OD2-NE2 2.78Å; D501-H1111 PolarHBondContact OD2-NE2 3.41Å
502	I	90.4	Very high	82.4	Confident	39 Å²	39	29.7 Å²	29.7	20%	0.2	15%	0.151	C	C	.	.			trans	-89.7	125.4	172.4	-66.9	-175.4	0	0	0	109	M155 K159 H500 V527 M529	M155-I502 HydrophobicContact CB-CD1 4.3Å; M155-I502 HydrophobicContact CE-CD1 4.17Å; M155-I502 HydrophobicContact CE-CG2 4.2Å; M155-I502 HydrophobicContact CG-CG2 4.34Å; K159-I502 HydrophobicContact CD-CD1 4.18Å; K159-I502 HydrophobicContact CG-CD1 3.84Å; H500-I502 PolarHBondContact O-N 3.28Å; I502-V527 HydrophobicContact CG2-CG2 3.41Å; I502-V527 VanDerWaalsContact CG2-CG2 3.41Å; I502-M529 HydrophobicContact CD1-SD 4.28Å; I502-M529 HydrophobicContact CG1-CB 4.41Å; I502-M529 HydrophobicContact CG1-CG 4.29Å; I502-M529 HydrophobicContact CG1-SD 4.13Å
503	I	92.1	Very high	80.7	Confident	34 Å²	34	29.3 Å²	29.3	17%	0.174	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	150	178.2	67.6	92.9	0	0	0	111.3	Q301 A302 T505 V527 A528	Q301-I503 HydrophobicContact CB-CD1 3.73Å; Q301-I503 HydrophobicContact CB-CG1 4.28Å; A302-I503 HydrophobicContact CB-CD1 4.23Å; A302-I503 HydrophobicContact CB-CG1 3.7Å; I503-T505 HydrophobicContact CD1-CG2 4.1Å; I503-V527 WeakPolarHBondContact O-CA 3.47Å; I503-A528 HydrophobicContact CD1-CB 3.89Å; I503-A528 HydrophobicContact CG1-CB 4.15Å; I503-A528 PolarHBondContact N-O 2.65Å; I503-A528 PolarHBondContact O-N 2.8Å
504	W	92.5	Very high	78.8	Confident	20 Å²	20	31.6 Å²	31.6	8%	0.076	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.9	175.3	-74.2	95.3	0	0	0	108.9	L151 K154 M155 T525 S526 V527 V552 T661 P662 F663	L151-W504 HydrophobicContact CB-CH2 3.94Å; L151-W504 HydrophobicContact CB-CZ2 3.93Å; L151-W504 HydrophobicContact CD2-CH2 3.4Å; L151-W504 VanDerWaalsContact CD2-CH2 3.4Å; L151-W504 HydrophobicContact CD2-CZ2 4.16Å; L151-W504 HydrophobicContact CD2-CZ3 3.77Å; L151-W504 HydrophobicContact CG-CH2 4.21Å; K154-W504 HydrophobicContact CB-CH2 4.47Å; M155-W504 HydrophobicContact CG-CZ2 3.65Å; M155-W504 HydrophobicContact SD-CZ2 3.84Å; W504-T525 HydrophobicContact CE3-CG2 4.24Å; W504-T525 HydrophobicContact CZ3-CG2 4.25Å; W504-S526 WeakPolarHBondContact CA-O 3.47Å; W504-V527 HydrophobicContact CD2-CB 3.98Å; W504-V527 HydrophobicContact CD2-CG2 4.5Å; W504-V527 HydrophobicContact CE3-CB 3.79Å; W504-V527 HydrophobicContact CH2-CB 3.64Å; W504-V527 HydrophobicContact CH2-CG1 3.83Å; W504-V527 HydrophobicContact CH2-CG2 4.41Å; W504-V527 HydrophobicContact CZ2-CB 3.85Å; W504-V527 HydrophobicContact CZ2-CG1 4.37Å; W504-V527 HydrophobicContact CZ2-CG2 4.16Å; W504-V527 HydrophobicContact CZ3-CB 3.62Å; W504-V527 HydrophobicContact CZ3-CG1 3.97Å; W504-V552 HydrophobicContact CH2-CG2 4.33Å; W504-V552 HydrophobicContact CZ3-CG2 4.01Å; W504-T661 HydrophobicContact CZ2-CG2 4.36Å; W504-P662 HydrophobicContact CB-CG 3.83Å; W504-P662 VanDerWaalsContact CD1-CD 3.46Å; W504-P662 HydrophobicContact CG-CG 4.35Å; W504-F663 HydrophobicContact CB-CE1 3.98Å; W504-F663 HydrophobicContact CB-CE2 4.37Å; W504-F663 HydrophobicContact CB-CZ 3.62Å; W504-F663 HydrophobicContact CD2-CE2 4.01Å; W504-F663 HydrophobicContact CD2-CZ 4.08Å; W504-F663 AromaticContact CE3-CE2 3.88Å; W504-F663 HydrophobicContact CE3-CE2 3.88Å; W504-F663 AromaticContact CE3-CZ 3.97Å; W504-F663 HydrophobicContact CE3-CZ 3.97Å; W504-F663 HydrophobicContact CG-CE2 4.26Å; W504-F663 AromaticContact CG-CZ 3.99Å; W504-F663 HydrophobicContact CG-CZ 3.99Å
505	T	91.4	Very high	77	Confident	3 Å²	3	35.6 Å²	35.6	2%	0.018	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-87.1	158.9	-178.6	64.1	0	0	0	0	113.5	W298 I503 T525 S526	W298-T505 HydrophobicContact CB-CG2 3.59Å; I503-T505 HydrophobicContact CD1-CG2 4.1Å; T505-T525 PolarHBondContact O-OG1 3.4Å; T505-S526 PolarHBondContact N-O 2.73Å; T505-S526 PolarHBondContact OG1-N 3.41Å
506	E	89.4	Confident	75	Confident	9 Å²	9	37.4 Å²	37.4	4%	0.042	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-51.3	163.2	161.3	-31.1	-61.1	152.2	0	0	111.5	E340 Y508	E340-E506 WeakPolarHBondContact OE2-CG 3.36Å; E506-Y508 PolarHBondContact O-N 3.08Å
507	A	89.3	Confident	73.1	Confident	2 Å²	2	43.5 Å²	43.5	2%	0.017	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-68.2	118.4	174.6	0	0	0	0	0	111.1	M524 L554 L582 N604	A507-M524 WeakPolarHBondContact CA-O 3.33Å; A507-L554 HydrophobicContact CB-CD1 3.69Å; A507-L582 HydrophobicContact CB-CD2 3.96Å; A507-N604 WeakPolarHBondContact O-CB 3.01Å
508	Y	86.7	Confident	71	Confident	41 Å²	41	42.7 Å²	42.7	16%	0.161	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-125.4	172	174.9	76.7	-86.1	0	0	0	111.9	E506 D510 M524 S526 D551 Y603	E506-Y508 PolarHBondContact O-N 3.08Å; Y508-D510 HydrophobicContact CE2-CB 4.35Å; Y508-M524 PolarHBondContact N-O 2.71Å; Y508-M524 PolarHBondContact O-N 2.93Å; Y508-S526 VanDerWaalsContact CE1-OG 3.23Å; Y508-S526 WeakPolarHBondContact CE1-OG 3.17Å; Y508-S526 PolarHBondContact OH-OG 2.78Å; Y508-D551 PolarHBondContact OH-OD1 3.18Å; Y508-D551 PolarHBondContact OH-OD2 2.9Å; Y508-Y603 WeakPolarHBondContact CA-OH 3.36Å
509	M	79.4	Confident	69.2	Low	9 Å²	9	48 Å²	48	4%	0.044	25%	0.249	C	C	.	.			trans	-120.2	126.4	174.5	-57.6	176.7	76.4	0	0	108.3	S511 F514 L521 L523 P589 L590 P599 Y603	M509-S511 PolarHBondContact O-N 3.2Å; M509-S511 VanDerWaalsContact O-N 3.1Å; M509-F514 HydrophobicContact CB-CE2 3.6Å; M509-F514 HydrophobicContact CB-CZ 3.49Å; M509-F514 VanDerWaalsContact CB-CZ 3.49Å; M509-F514 HydrophobicContact CE-CE1 4.07Å; M509-F514 HydrophobicContact CE-CZ 3.76Å; M509-F514 HydrophobicContact CG-CZ 4.29Å; M509-F514 HydrophobicContact SD-CZ 3.93Å; M509-L521 HydrophobicContact CE-CB 3.61Å; M509-L521 HydrophobicContact CE-CD1 4.38Å; M509-L521 HydrophobicContact CE-CD2 4.1Å; M509-L521 HydrophobicContact CE-CG 4.23Å; M509-L523 HydrophobicContact CG-CD2 3.53Å; M509-L523 HydrophobicContact CG-CG 4.41Å; M509-L523 HydrophobicContact SD-CD2 4.15Å; M509-P589 HydrophobicContact SD-CB 4.04Å; M509-L590 HydrophobicContact CE-CD2 3.71Å; M509-L590 HydrophobicContact CE-CG 4.29Å; M509-L590 HydrophobicContact SD-CD2 4.13Å; M509-P599 HydrophobicContact SD-CB 4.27Å; M509-Y603 HydrophobicContact CB-CE2 4.28Å; M509-Y603 HydrophobicContact CG-CD2 4.24Å; M509-Y603 HydrophobicContact CG-CE2 3.55Å; M509-Y603 PolarHBondContact N-OH 2.82Å; M509-Y603 HydrophobicContact SD-CD2 4.16Å; M509-Y603 HydrophobicContact SD-CE2 3.99Å
510	D	67.4	Low	67.6	Low	27 Å²	27	45.3 Å²	45.3	14%	0.144	24%	0.236	C	C	.	.			trans	-68.2	113.6	-179.9	177.5	16.9	0	0	0	111.7	Y508 V512 L513 F514	Y508-D510 HydrophobicContact CE2-CB 4.35Å; D510-V512 PolarHBondContact O-N 2.58Å; D510-V512 VanDerWaalsContact O-N 3.14Å; D510-V512 WeakPolarHBondContact OD1-CG2 3.38Å; D510-V512 PolarHBondContact OD1-N 2.72Å; D510-L513 HydrophobicContact CB-CD1 4.14Å; D510-L513 HydrophobicContact CB-CG 4.16Å; D510-L513 PolarHBondContact O-N 2.76Å; D510-L513 VanDerWaalsContact O-N 3.14Å; D510-F514 WeakPolarHBondContact O-CD2 3.44Å; D510-F514 WeakPolarHBondContact O-CE2 3.41Å
511	S	58.8	Low	66.2	Low	47 Å²	47	44 Å²	44	33%	0.329	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-44.3	-36.4	172	43	0	0	0	0	114.9	R296 M509 L513 F514	R296-S511 PolarHBondContact NH1-OG 3.05Å; R296-S511 PolarHBondContact NH2-OG 3.37Å; M509-S511 PolarHBondContact O-N 3.2Å; M509-S511 VanDerWaalsContact O-N 3.1Å; S511-L513 VanDerWaalsContact C-N 3.31Å; S511-L513 PolarHBondContact O-N 3.06Å; S511-F514 PolarHBondContact O-N 3.26Å
512	V	55.6	Low	65.2	Low	27 Å²	27	44 Å²	44	16%	0.164	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-68.8	-33.1	-175	-174.5	0	0	0	0	111.3	I279 W281 F291 D510 F514	I279-V512 HydrophobicContact CD1-CG1 4.39Å; W281-V512 HydrophobicContact CD2-CG1 3.69Å; W281-V512 HydrophobicContact CE3-CG1 3.86Å; W281-V512 HydrophobicContact CE3-CG2 4.09Å; W281-V512 HydrophobicContact CG-CG1 4.22Å; W281-V512 HydrophobicContact CH2-CB 4.49Å; W281-V512 HydrophobicContact CH2-CG1 4.26Å; W281-V512 HydrophobicContact CH2-CG2 3.39Å; W281-V512 HydrophobicContact CZ2-CG1 4.07Å; W281-V512 HydrophobicContact CZ2-CG2 3.83Å; W281-V512 HydrophobicContact CZ3-CG1 4.14Å; W281-V512 HydrophobicContact CZ3-CG2 3.51Å; F291-V512 HydrophobicContact CD2-CG2 3.55Å; F291-V512 HydrophobicContact CE2-CG2 3.79Å; D510-V512 PolarHBondContact O-N 2.58Å; D510-V512 VanDerWaalsContact O-N 3.14Å; D510-V512 WeakPolarHBondContact OD1-CG2 3.38Å; D510-V512 PolarHBondContact OD1-N 2.72Å; V512-F514 PolarHBondContact O-N 2.99Å
513	L	52.6	Low	64.9	Low	18 Å²	18	43.5 Å²	43.5	9%	0.094	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-80.7	-13.2	-176.3	-52.6	-179.6	0	0	0	113.6	L215 W263 D510 S511 N515 T516	L215-L513 HydrophobicContact CD1-CD2 3.74Å; W263-L513 HydrophobicContact CZ2-CD1 4.47Å; W263-L513 HydrophobicContact CZ2-CD2 4Å; D510-L513 HydrophobicContact CB-CD1 4.14Å; D510-L513 HydrophobicContact CB-CG 4.16Å; D510-L513 PolarHBondContact O-N 2.76Å; D510-L513 VanDerWaalsContact O-N 3.14Å; S511-L513 VanDerWaalsContact C-N 3.31Å; S511-L513 PolarHBondContact O-N 3.06Å; L513-N515 VanDerWaalsContact C-N 3.34Å; L513-N515 PolarHBondContact O-N 3Å; L513-T516 PolarHBondContact O-OG1 2.86Å
514	F	47.4	Very low	64.7	Low	49 Å²	49	42 Å²	42	22%	0.215	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-68	-30.5	-178.4	-79.1	-95.3	0	0	0	113.7	M509 D510 S511 V512 L521 L590 P599	M509-F514 HydrophobicContact CB-CE2 3.6Å; M509-F514 HydrophobicContact CB-CZ 3.49Å; M509-F514 VanDerWaalsContact CB-CZ 3.49Å; M509-F514 HydrophobicContact CE-CE1 4.07Å; M509-F514 HydrophobicContact CE-CZ 3.76Å; M509-F514 HydrophobicContact CG-CZ 4.29Å; M509-F514 HydrophobicContact SD-CZ 3.93Å; D510-F514 WeakPolarHBondContact O-CD2 3.44Å; D510-F514 WeakPolarHBondContact O-CE2 3.41Å; S511-F514 PolarHBondContact O-N 3.26Å; V512-F514 PolarHBondContact O-N 2.99Å; F514-L521 HydrophobicContact CD1-CD1 4.33Å; F514-L521 HydrophobicContact CD1-CD2 3.52Å; F514-L521 HydrophobicContact CD2-CD2 4.24Å; F514-L521 HydrophobicContact CE1-CD1 4.22Å; F514-L521 HydrophobicContact CE1-CD2 3.58Å; F514-L521 HydrophobicContact CE2-CD2 4.33Å; F514-L521 HydrophobicContact CG-CD2 3.88Å; F514-L521 HydrophobicContact CZ-CD2 4.02Å; F514-L590 HydrophobicContact CE1-CD2 4.45Å; F514-P599 HydrophobicContact CE1-CB 4.11Å; F514-P599 HydrophobicContact CE1-CG 3.8Å; F514-P599 HydrophobicContact CZ-CB 4.03Å; F514-P599 HydrophobicContact CZ-CG 3.88Å
515	N	48.5	Very low	64.6	Low	90 Å²	90	41.1 Å²	41.1	48%	0.481	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-78	-22	-174.4	-82.4	-8	0	0	0	113.4	D284 L513	D284-N515 PolarHBondContact OD1-ND2 2.83Å; L513-N515 VanDerWaalsContact C-N 3.34Å; L513-N515 PolarHBondContact O-N 3Å
516	T	44.3	Very low	64.7	Low	43 Å²	43	41 Å²	41	26%	0.264	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-53	-171.4	49.3	0	0	0	0	113.7	L215 I282 L513	L215-T516 HydrophobicContact CD2-CG2 4.34Å; L215-T516 WeakPolarHBondContact CD2-OG1 3.48Å; I282-T516 HydrophobicContact CD1-CG2 3.86Å; L513-T516 PolarHBondContact O-OG1 2.86Å
517	H	43.2	Very low	64.9	Low	142 Å²	142	40.5 Å²	40.5	66%	0.657	21%	0.214	S	C	*	.			trans	-156.5	125.2	170.7	-84.4	-66.4	0	0	0	112.6	Q519 S520	H517-Q519 PolarHBondContact O-N 3.17Å; H517-S520 PolarHBondContact O-N 3.43Å; H517-S520 PolarHBondContact O-OG 2.99Å
518	A	37.6	Very low	65.2	Low	52 Å²	52	40.4 Å²	40.4	43%	0.43	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	17.7	-178.8	0	0	0	0	0	116.6	L597	A518-L597 HydrophobicContact CB-CD1 4.48Å
519	Q	40.8	Very low	65.6	Low	187 Å²	187	38.8 Å²	38.8	87%	0.874	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.2	-11.7	175.6	-69.7	-177.9	-27.7	0	0	113.1	H517 L521	H517-Q519 PolarHBondContact O-N 3.17Å; Q519-L521 VanDerWaalsContact C-N 3.32Å
520	S	44.9	Very low	66.3	Low	7 Å²	7	38.3 Å²	38.3	5%	0.049	21%	0.205	C	C	.	.			trans	-89.9	10.2	-178.8	59.3	0	0	0	0	114.4	N213 H517 L522	N213-S520 WeakPolarHBondContact ND2-CA 3.36Å; N213-S520 PolarHBondContact ND2-O 3.25Å; H517-S520 PolarHBondContact O-N 3.43Å; H517-S520 PolarHBondContact O-OG 2.99Å; S520-L522 VanDerWaalsContact C-N 3.3Å; S520-L522 PolarHBondContact O-N 2.93Å
521	L	51.7	Low	67.5	Low	37 Å²	37	37 Å²	37	19%	0.194	20%	0.198	C	C	.	.			trans	-76.1	73.8	-167.2	-65.9	177.7	0	0	0	112.5	M509 F514 Q519 L590	M509-L521 HydrophobicContact CE-CB 3.61Å; M509-L521 HydrophobicContact CE-CD1 4.38Å; M509-L521 HydrophobicContact CE-CD2 4.1Å; M509-L521 HydrophobicContact CE-CG 4.23Å; F514-L521 HydrophobicContact CD1-CD1 4.33Å; F514-L521 HydrophobicContact CD1-CD2 3.52Å; F514-L521 HydrophobicContact CD2-CD2 4.24Å; F514-L521 HydrophobicContact CE1-CD1 4.22Å; F514-L521 HydrophobicContact CE1-CD2 3.58Å; F514-L521 HydrophobicContact CE2-CD2 4.33Å; F514-L521 HydrophobicContact CG-CD2 3.88Å; F514-L521 HydrophobicContact CZ-CD2 4.02Å; Q519-L521 VanDerWaalsContact C-N 3.32Å; L521-L590 HydrophobicContact CB-CD1 4.31Å; L521-L590 HydrophobicContact CD1-CD1 3.58Å; L521-L590 HydrophobicContact CD1-CD2 4.04Å; L521-L590 HydrophobicContact CD1-CG 4.47Å
522	L	65.4	Low	69	Low	41 Å²	41	34.9 Å²	34.9	22%	0.215	18%	0.183	C	C	.	.			trans	-75.5	135.4	170.4	-67.4	163.3	0	0	0	109.8	N213 S520 M524 A553 R555	N213-L522 VanDerWaalsContact ND2-CD1 3.28Å; N213-L522 WeakPolarHBondContact ND2-CD1 3.42Å; S520-L522 VanDerWaalsContact C-N 3.3Å; S520-L522 PolarHBondContact O-N 2.93Å; L522-M524 HydrophobicContact CB-CG 4.24Å; L522-A553 HydrophobicContact CD1-CB 4.15Å; L522-R555 HydrophobicContact CD2-CB 3.86Å
523	L	82.9	Confident	70.5	Confident	28 Å²	28	33.9 Å²	33.9	15%	0.147	18%	0.177	C	C	.	.			trans	-74.6	137.8	157.6	-71.8	165.9	0	0	0	108.3	M509 L554 L587 P589 Y603	M509-L523 HydrophobicContact CG-CD2 3.53Å; M509-L523 HydrophobicContact CG-CG 4.41Å; M509-L523 HydrophobicContact SD-CD2 4.15Å; L523-L554 HydrophobicContact CB-CD1 3.81Å; L523-L554 HydrophobicContact CB-CG 4.38Å; L523-L554 PolarHBondContact O-N 3.25Å; L523-L587 HydrophobicContact CD1-CD2 3.76Å; L523-P589 HydrophobicContact CD1-CG 4.1Å; L523-P589 HydrophobicContact CD2-CB 4.29Å; L523-P589 HydrophobicContact CG-CG 4.39Å; L523-Y603 HydrophobicContact CD2-CD2 3.86Å; L523-Y603 HydrophobicContact CD2-CE2 3.82Å
524	M	88.1	Confident	72.1	Confident	4 Å²	4	36.2 Å²	36.2	2%	0.02	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	151.9	-176.4	-49.2	-176.4	96.1	0	0	109.3	T262 A507 Y508 L522 D551 V552 A553	T262-M524 HydrophobicContact CG2-CE 4.01Å; T262-M524 WeakPolarHBondContact OG1-CE 3.26Å; A507-M524 WeakPolarHBondContact CA-O 3.33Å; Y508-M524 PolarHBondContact N-O 2.71Å; Y508-M524 PolarHBondContact O-N 2.93Å; L522-M524 HydrophobicContact CB-CG 4.24Å; M524-D551 HydrophobicContact CE-CB 3.95Å; M524-D551 HydrophobicContact SD-CB 4.43Å; M524-V552 WeakPolarHBondContact CA-O 3.27Å; M524-A553 HydrophobicContact CE-CB 4.09Å
525	T	92	Very high	73.9	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.5	163.3	178.2	0	0	0	0	107.3	W504 T505 V552 L554 F663	W504-T525 HydrophobicContact CE3-CG2 4.24Å; W504-T525 HydrophobicContact CZ3-CG2 4.25Å; T505-T525 PolarHBondContact O-OG1 3.4Å; T525-V552 HydrophobicContact CG2-CB 4.08Å; T525-V552 PolarHBondContact N-O 2.76Å; T525-V552 PolarHBondContact O-N 2.74Å; T525-L554 HydrophobicContact CG2-CD2 3.58Å; T525-F663 HydrophobicContact CG2-CE2 4.44Å; T525-F663 HydrophobicContact CG2-CZ 4.4Å
526	S	92.4	Very high	75.1	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	141.9	172.3	-47.8	0	0	0	0	109.6	Y265 W504 T505 Y508 T550 D551	Y265-S526 WeakPolarHBondContact OH-CB 3.33Å; Y265-S526 PolarHBondContact OH-OG 2.95Å; W504-S526 WeakPolarHBondContact CA-O 3.47Å; T505-S526 PolarHBondContact N-O 2.73Å; T505-S526 PolarHBondContact OG1-N 3.41Å; Y508-S526 VanDerWaalsContact CE1-OG 3.23Å; Y508-S526 WeakPolarHBondContact CE1-OG 3.17Å; Y508-S526 PolarHBondContact OH-OG 2.78Å; S526-T550 WeakPolarHBondContact CA-O 3.4Å; S526-D551 WeakPolarHBondContact CB-OD1 3.16Å; S526-D551 PolarHBondContact OG-OD1 3.38Å
527	V	94.8	Very high	76.2	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	131.1	152.8	48.3	0	0	0	0	108.1	K154 M155 V158 I502 I503 W504 G549 T550	K154-V527 HydrophobicContact CB-CG1 3.98Å; M155-V527 HydrophobicContact CG-CG2 4.03Å; V158-V527 HydrophobicContact CG2-CG1 3.83Å; V158-V527 HydrophobicContact CG2-CG2 4.31Å; I502-V527 HydrophobicContact CG2-CG2 3.41Å; I502-V527 VanDerWaalsContact CG2-CG2 3.41Å; I503-V527 WeakPolarHBondContact O-CA 3.47Å; W504-V527 HydrophobicContact CD2-CB 3.98Å; W504-V527 HydrophobicContact CD2-CG2 4.5Å; W504-V527 HydrophobicContact CE3-CB 3.79Å; W504-V527 HydrophobicContact CH2-CB 3.64Å; W504-V527 HydrophobicContact CH2-CG1 3.83Å; W504-V527 HydrophobicContact CH2-CG2 4.41Å; W504-V527 HydrophobicContact CZ2-CB 3.85Å; W504-V527 HydrophobicContact CZ2-CG1 4.37Å; W504-V527 HydrophobicContact CZ2-CG2 4.16Å; W504-V527 HydrophobicContact CZ3-CB 3.62Å; W504-V527 HydrophobicContact CZ3-CG1 3.97Å; V527-G549 CarbonylContact O-C 3.57Å; V527-G549 WeakPolarHBondContact O-CA 3.34Å; V527-T550 HydrophobicContact CG1-CG2 3.6Å; V527-T550 PolarHBondContact N-O 3.07Å; V527-T550 VanDerWaalsContact N-O 3.07Å; V527-T550 PolarHBondContact O-N 2.95Å
528	A	94.8	Very high	77.3	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	153.1	-179.4	0	0	0	0	0	111.8	W298 A302 I503 V547 V548	W298-A528 HydrophobicContact CB-CB 4.29Å; A302-A528 HydrophobicContact CB-CB 4.02Å; I503-A528 HydrophobicContact CD1-CB 3.89Å; I503-A528 HydrophobicContact CG1-CB 4.15Å; I503-A528 PolarHBondContact N-O 2.65Å; I503-A528 PolarHBondContact O-N 2.8Å; A528-V547 HydrophobicContact CB-CG1 3.92Å; A528-V548 VanDerWaalsContact CA-O 3.31Å; A528-V548 WeakPolarHBondContact CA-O 3.32Å
529	M	94.7	Very high	78.5	Confident	6 Å²	6	41.6 Å²	41.6	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	132.7	-178	-175.6	174.8	159.6	0	0	108.7	V158 K159 A162 H500 I502 V548	V158-M529 HydrophobicContact CG1-CB 3.52Å; V158-M529 HydrophobicContact CG1-SD 4.31Å; K159-M529 HydrophobicContact CB-CE 4.49Å; K159-M529 HydrophobicContact CB-SD 4.32Å; K159-M529 HydrophobicContact CG-CE 4.19Å; K159-M529 HydrophobicContact CG-SD 3.82Å; A162-M529 HydrophobicContact CB-CE 3.47Å; A162-M529 VanDerWaalsContact CB-CE 3.47Å; A162-M529 HydrophobicContact CB-CG 4.16Å; A162-M529 HydrophobicContact CB-SD 3.76Å; H500-M529 HydrophobicContact CB-CE 3.47Å; H500-M529 VanDerWaalsContact CB-CE 3.47Å; H500-M529 HydrophobicContact CB-CG 4.28Å; H500-M529 HydrophobicContact CB-SD 4.46Å; I502-M529 HydrophobicContact CD1-SD 4.28Å; I502-M529 HydrophobicContact CG1-CB 4.41Å; I502-M529 HydrophobicContact CG1-CG 4.29Å; I502-M529 HydrophobicContact CG1-SD 4.13Å; M529-V548 HydrophobicContact CB-CG2 4.18Å; M529-V548 PolarHBondContact N-O 2.61Å; M529-V548 WeakPolarHBondContact O-CG2 3.1Å; M529-V548 PolarHBondContact O-N 2.86Å
530	P	94	Very high	79.5	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	154.9	177.2	31.1	-35.5	0	0	0	111.5	M494 D501 F532 L544	M494-P530 HydrophobicContact CE-CB 4.17Å; M494-P530 HydrophobicContact CE-CG 4.09Å; M494-P530 HydrophobicContact SD-CG 4.39Å; D501-P530 WeakPolarHBondContact O-CD 3.35Å; P530-F532 HydrophobicContact CB-CE1 3.68Å; P530-F532 HydrophobicContact CB-CE2 4.43Å; P530-F532 HydrophobicContact CB-CZ 3.6Å; P530-F532 HydrophobicContact CG-CE1 4.07Å; P530-F532 HydrophobicContact CG-CE2 4.07Å; P530-F532 HydrophobicContact CG-CZ 3.44Å; P530-F532 VanDerWaalsContact CG-CZ 3.44Å; P530-L544 HydrophobicContact CB-CD1 3.97Å
531	V	93.2	Very high	80.6	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.7	179.6	-176.7	0	0	0	0	109.3	A162 A165 E166 F266 L545 G546 V548	A162-V531 HydrophobicContact CB-CG2 4.28Å; A165-V531 HydrophobicContact CB-CG1 3.61Å; A165-V531 HydrophobicContact CB-CG2 4.39Å; E166-V531 HydrophobicContact CG-CG1 3.65Å; F266-V531 HydrophobicContact CE2-CB 4.39Å; F266-V531 HydrophobicContact CE2-CG2 4.26Å; V531-L545 HydrophobicContact CB-CB 4.47Å; V531-L545 HydrophobicContact CG1-CB 4.17Å; V531-L545 HydrophobicContact CG1-CD1 4.1Å; V531-L545 PolarHBondContact O-N 3.02Å; V531-G546 PolarHBondContact N-O 2.73Å; V531-V548 HydrophobicContact CG2-CB 4.34Å; V531-V548 HydrophobicContact CG2-CG1 3.85Å; V531-V548 HydrophobicContact CG2-CG2 3.9Å
532	F	89.6	Confident	81.6	Confident	2 Å²	2	37 Å²	37	1%	0.009	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	147.8	-172.7	-53.3	-50.9	0	0	0	112.4	E166 M494 V495 H500 P530 K534 L544	E166-F532 VanDerWaalsContact CG-O 3.28Å; E166-F532 WeakPolarHBondContact CG-O 3.15Å; E166-F532 PolarHBondContact OE1-N 2.94Å; E166-F532 VanDerWaalsContact OE1-N 3.08Å; M494-F532 HydrophobicContact CE-CE1 4.03Å; M494-F532 HydrophobicContact CE-CZ 3.91Å; M494-F532 HydrophobicContact CG-CZ 4.06Å; M494-F532 HydrophobicContact SD-CZ 4.48Å; V495-F532 HydrophobicContact CB-CD1 3.89Å; V495-F532 HydrophobicContact CB-CE1 4.07Å; V495-F532 HydrophobicContact CB-CG 4.42Å; V495-F532 HydrophobicContact CG1-CB 3.97Å; V495-F532 HydrophobicContact CG1-CD1 3.68Å; V495-F532 HydrophobicContact CG1-CE1 4.37Å; V495-F532 HydrophobicContact CG1-CG 3.91Å; V495-F532 HydrophobicContact CG2-CD1 3.47Å; V495-F532 VanDerWaalsContact CG2-CD1 3.47Å; V495-F532 HydrophobicContact CG2-CE1 3.43Å; V495-F532 VanDerWaalsContact CG2-CE1 3.43Å; V495-F532 HydrophobicContact CG2-CG 4.45Å; V495-F532 HydrophobicContact CG2-CZ 4.39Å; H500-F532 AromaticContact CD2-CD2 3.87Å; H500-F532 AromaticContact CD2-CE2 3.77Å; H500-F532 AromaticContact NE2-CD2 3.67Å; P530-F532 HydrophobicContact CB-CE1 3.68Å; P530-F532 HydrophobicContact CB-CE2 4.43Å; P530-F532 HydrophobicContact CB-CZ 3.6Å; P530-F532 HydrophobicContact CG-CE1 4.07Å; P530-F532 HydrophobicContact CG-CE2 4.07Å; P530-F532 HydrophobicContact CG-CZ 3.44Å; P530-F532 VanDerWaalsContact CG-CZ 3.44Å; F532-K534 PolarHBondContact O-N 3.12Å; F532-L544 HydrophobicContact CD1-CD1 4.01Å; F532-L544 HydrophobicContact CE1-CD1 3.83Å
533	S	88.8	Confident	82.5	Confident	6 Å²	6	38.9 Å²	38.9	4%	0.042	19%	0.192	C	C	.	.			trans	-77.3	125.3	171.8	-177.1	0	0	0	0	110.5	D169 K535 T538 I543	D169-S533 VanDerWaalsContact OD2-CB 3.25Å; D169-S533 WeakPolarHBondContact OD2-CB 3.47Å; D169-S533 PolarHBondContact OD2-OG 3.05Å; S533-K535 VanDerWaalsContact C-N 3.31Å; S533-K535 PolarHBondContact O-N 2.6Å; S533-T538 PolarHBondContact O-OG1 2.91Å; S533-I543 PolarHBondContact N-O 3.48Å
534	K	84.6	Confident	82.7	Confident	67 Å²	67	37.9 Å²	37.9	29%	0.291	19%	0.187	S	C	.	.			trans	-84	6.9	179.5	-73.3	171.8	171.3	148.7	0	114.4	E166 D167 L170 F532	E166-K534 HydrophobicContact CB-CD 3.82Å; E166-K534 HydrophobicContact CB-CG 4.23Å; E166-K534 VanDerWaalsContact CB-NZ 3.32Å; E166-K534 WeakPolarHBondContact OE2-CE 3.37Å; E166-K534 IonicContact OE2-NZ 2.89Å; E166-K534 PolarHBondContact OE2-NZ 3.49Å; D167-K534 IonicContact OD1-NZ 2.82Å; D167-K534 PolarHBondContact OD1-NZ 2.83Å; L170-K534 HydrophobicContact CD1-CB 4.23Å; L170-K534 HydrophobicContact CD2-CB 4.48Å; F532-K534 PolarHBondContact O-N 3.12Å
535	K	85	Confident	82.9	Confident	59 Å²	59	39.1 Å²	39.1	26%	0.257	19%	0.193	S	C	.	.	S	Bend	trans	-72.3	148.8	-175	-70.8	166.2	175.2	160.7	0	111.4	D169 L170 H172 S533 E537 T538	D169-K535 WeakPolarHBondContact O-CE 3.41Å; D169-K535 PolarHBondContact O-NZ 3.24Å; D169-K535 IonicContact OD1-NZ 2.71Å; D169-K535 PolarHBondContact OD1-NZ 2.78Å; D169-K535 IonicContact OD2-NZ 3.2Å; L170-K535 HydrophobicContact CD1-CG 4.36Å; H172-K535 WeakPolarHBondContact O-CE 3.41Å; H172-K535 PolarHBondContact O-NZ 3.41Å; S533-K535 VanDerWaalsContact C-N 3.31Å; S533-K535 PolarHBondContact O-N 2.6Å; K535-E537 PolarHBondContact O-N 3.45Å; K535-E537 VanDerWaalsContact O-N 3.16Å; K535-T538 HydrophobicContact CB-CG2 4.16Å; K535-T538 PolarHBondContact N-OG1 3.25Å; K535-T538 PolarHBondContact O-N 3.08Å; K535-T538 PolarHBondContact O-OG1 3.42Å
536	E	74.8	Confident	83	Confident	176 Å²	176	39.1 Å²	39.1	82%	0.822	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-32.4	-175.3	-65.9	-169.5	163	0	0	113.3	T538	E536-T538 VanDerWaalsContact C-N 3.29Å; E536-T538 PolarHBondContact O-N 3.49Å
537	E	66.6	Low	83.1	Confident	163 Å²	163	39.1 Å²	39.1	76%	0.762	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-25.8	178.9	-57.8	-171.3	157.9	0	0	113.3	K535 H541	K535-E537 PolarHBondContact O-N 3.45Å; K535-E537 VanDerWaalsContact O-N 3.16Å; E537-H541 PolarHBondContact O-ND1 2.92Å
538	T	65.8	Low	83.2	Confident	10 Å²	10	39.1 Å²	39.1	6%	0.061	19%	0.193	C	C	.	.	H	α-helix	trans	-87.1	-16.2	-173.4	64.4	0	0	0	0	112.9	S533 K535 E536 S540 H541 G542 I543	S533-T538 PolarHBondContact O-OG1 2.91Å; K535-T538 HydrophobicContact CB-CG2 4.16Å; K535-T538 PolarHBondContact N-OG1 3.25Å; K535-T538 PolarHBondContact O-N 3.08Å; K535-T538 PolarHBondContact O-OG1 3.42Å; E536-T538 VanDerWaalsContact C-N 3.29Å; E536-T538 PolarHBondContact O-N 3.49Å; T538-S540 PolarHBondContact O-N 2.9Å; T538-H541 PolarHBondContact O-N 2.89Å; T538-H541 VanDerWaalsContact O-N 3.17Å; T538-G542 PolarHBondContact O-N 3.3Å; T538-I543 HydrophobicContact CG2-CB 3.96Å; T538-I543 HydrophobicContact CG2-CD1 3.57Å; T538-I543 HydrophobicContact CG2-CG1 3.72Å
539	L	64	Low	83.2	Confident	80 Å²	80	39.1 Å²	39.1	42%	0.419	19%	0.193	S	C	.	.	H	α-helix	trans	-56.6	-21.5	175.5	-63	176.8	0	0	0	114.2	H498	H498-L539 VanDerWaalsContact CE1-CD2 3.46Å; H498-L539 WeakPolarHBondContact CE1-CD2 3.41Å
540	S	61.5	Low	83.1	Confident	50 Å²	50	38.8 Å²	38.8	35%	0.35	19%	0.192	S	C	.	.	H	α-helix	trans	-110.7	-20.3	177.1	61.5	0	0	0	0	114.5	T538 N1118	T538-S540 PolarHBondContact O-N 2.9Å; S540-N1118 WeakPolarHBondContact O-CB 3.49Å; S540-N1118 PolarHBondContact O-N 3.46Å
541	H	68.1	Low	83	Confident	81 Å²	81	39 Å²	39	38%	0.375	19%	0.193	S	C	.	.	H	α-helix	trans	-95.5	-24.5	-178.9	-66.8	94.9	0	0	0	113.2	E537 T538 I543 N1118	E537-H541 PolarHBondContact O-ND1 2.92Å; T538-H541 PolarHBondContact O-N 2.89Å; T538-H541 VanDerWaalsContact O-N 3.17Å; H541-I543 HydrophobicContact CB-CG1 4.25Å; H541-N1118 PolarHBondContact NE2-ND2 2.71Å; H541-N1118 VanDerWaalsContact NE2-ND2 3.19Å
542	G	73.3	Confident	82.8	Confident	4 Å²	4	39.3 Å²	39.3	4%	0.041	20%	0.195	C	C	.	.			trans	68.4	55.8	177.8	0	0	0	0	0	113.3	V495 T538 L544	V495-G542 VanDerWaalsContact CG1-C 3.48Å; T538-G542 PolarHBondContact O-N 3.3Å; G542-L544 PolarHBondContact O-N 3.36Å
543	I	83.2	Confident	82.6	Confident	80 Å²	80	39.3 Å²	39.3	41%	0.41	20%	0.196	S	C	.	.			trans	-78.3	114.3	-176.9	-53.9	-165.5	0	0	0	111.8	S533 T538 H541	S533-I543 PolarHBondContact N-O 3.48Å; T538-I543 HydrophobicContact CG2-CB 3.96Å; T538-I543 HydrophobicContact CG2-CD1 3.57Å; T538-I543 HydrophobicContact CG2-CG1 3.72Å; H541-I543 HydrophobicContact CB-CG1 4.25Å
544	L	88.6	Confident	82.6	Confident	8 Å²	8	39.2 Å²	39.2	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	119.9	166.5	-179.4	74.8	0	0	0	109.5	A269 A303 P530 F532 G542 G546	A269-L544 WeakPolarHBondContact CB-O 3.4Å; A303-L544 HydrophobicContact CB-CD2 3.73Å; P530-L544 HydrophobicContact CB-CD1 3.97Å; F532-L544 HydrophobicContact CD1-CD1 4.01Å; F532-L544 HydrophobicContact CE1-CD1 3.83Å; G542-L544 PolarHBondContact O-N 3.36Å; L544-G546 WeakPolarHBondContact CD1-O 3.35Å
545	L	91.2	Very high	82.5	Confident	29 Å²	29	40.5 Å²	40.5	15%	0.152	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-32.7	174.6	-66.8	172.2	0	0	0	111.9	D169 S268 A269 V531	D169-L545 HydrophobicContact CB-CD1 3.48Å; D169-L545 VanDerWaalsContact CB-CD1 3.48Å; D169-L545 HydrophobicContact CB-CD2 4.43Å; S268-L545 PolarHBondContact OG-O 3.18Å; A269-L545 PolarHBondContact N-O 3.09Å; V531-L545 HydrophobicContact CB-CB 4.47Å; V531-L545 HydrophobicContact CG1-CB 4.17Å; V531-L545 HydrophobicContact CG1-CD1 4.1Å; V531-L545 PolarHBondContact O-N 3.02Å
546	G	93.5	Very high	82.4	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.6	-159.5	-177.7	0	0	0	0	0	112.3	G267 V531 L544	G267-G546 CarbonylContact O-C 3.58Å; G267-G546 WeakPolarHBondContact O-CA 3.49Å; V531-G546 PolarHBondContact N-O 2.73Å; L544-G546 WeakPolarHBondContact CD1-O 3.35Å
547	V	95.6	Very high	83	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	129.6	178.5	175	0	0	0	0	108.7	G267 W298 Y299 A302 A303 A528	G267-V547 PolarHBondContact N-O 2.84Å; G267-V547 PolarHBondContact O-N 2.91Å; W298-V547 HydrophobicContact CE3-CB 4.34Å; W298-V547 HydrophobicContact CE3-CG1 3.78Å; W298-V547 HydrophobicContact CZ3-CB 3.92Å; W298-V547 HydrophobicContact CZ3-CG1 3.8Å; Y299-V547 HydrophobicContact CD2-CB 3.76Å; Y299-V547 HydrophobicContact CD2-CG2 3.75Å; Y299-V547 HydrophobicContact CE2-CB 4.05Å; Y299-V547 HydrophobicContact CE2-CG2 3.84Å; Y299-V547 HydrophobicContact CG-CB 4.43Å; Y299-V547 HydrophobicContact CG-CG2 4.12Å; A302-V547 HydrophobicContact CB-CB 4.48Å; A302-V547 HydrophobicContact CB-CG1 3.58Å; A302-V547 HydrophobicContact CB-CG2 4Å; A303-V547 HydrophobicContact CB-CG2 4.29Å; A528-V547 HydrophobicContact CB-CG1 3.92Å
548	V	96.3	Very high	84	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	150.7	168	-73	0	0	0	0	110.3	V158 L161 A162 Y265 F266 A528 M529 V531	V158-V548 HydrophobicContact CG1-CG2 3.79Å; L161-V548 HydrophobicContact CB-CB 4.25Å; L161-V548 HydrophobicContact CB-CG1 4.08Å; L161-V548 HydrophobicContact CB-CG2 4.42Å; A162-V548 HydrophobicContact CB-CG2 3.74Å; Y265-V548 WeakPolarHBondContact O-CA 3.47Å; F266-V548 HydrophobicContact CB-CG1 4.22Å; F266-V548 HydrophobicContact CD2-CG1 3.76Å; F266-V548 HydrophobicContact CG-CG1 4.44Å; A528-V548 VanDerWaalsContact CA-O 3.31Å; A528-V548 WeakPolarHBondContact CA-O 3.32Å; M529-V548 HydrophobicContact CB-CG2 4.18Å; M529-V548 PolarHBondContact N-O 2.61Å; M529-V548 WeakPolarHBondContact O-CG2 3.1Å; M529-V548 PolarHBondContact O-N 2.86Å; V531-V548 HydrophobicContact CG2-CB 4.34Å; V531-V548 HydrophobicContact CG2-CG1 3.85Å; V531-V548 HydrophobicContact CG2-CG2 3.9Å
549	G	95.1	Very high	85	Confident	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	165.6	173.3	0	0	0	0	0	114	Y265 V527	Y265-G549 PolarHBondContact N-O 2.85Å; Y265-G549 PolarHBondContact O-N 2.9Å; V527-G549 CarbonylContact O-C 3.57Å; V527-G549 WeakPolarHBondContact O-CA 3.34Å
550	T	93.3	Very high	86.1	Confident	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	142.5	167	-167.5	0	0	0	0	111.3	K154 V158 L261 W263 S526 V527	K154-T550 HydrophobicContact CB-CG2 4.1Å; V158-T550 HydrophobicContact CG2-CG2 3.63Å; L261-T550 HydrophobicContact CD2-CG2 3.9Å; L261-T550 WeakPolarHBondContact CD2-OG1 3.17Å; W263-T550 CarbonylContact O-C 3.49Å; W263-T550 WeakPolarHBondContact O-CA 3.5Å; W263-T550 WeakPolarHBondContact O-CB 3.31Å; W263-T550 PolarHBondContact O-OG1 3.49Å; S526-T550 WeakPolarHBondContact CA-O 3.4Å; V527-T550 HydrophobicContact CG1-CG2 3.6Å; V527-T550 PolarHBondContact N-O 3.07Å; V527-T550 VanDerWaalsContact N-O 3.07Å; V527-T550 PolarHBondContact O-N 2.95Å
551	D	90.6	Very high	87.5	Confident	5 Å²	5	21.9 Å²	21.9	3%	0.027	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	142.4	-178.9	-73.5	-7.2	0	0	0	111.8	T262 W263 Y265 Y508 M524 S526	T262-D551 WeakPolarHBondContact OG1-CB 3.49Å; T262-D551 PolarHBondContact OG1-O 3.18Å; W263-D551 HydrophobicContact CB-CB 4.29Å; W263-D551 PolarHBondContact O-N 3.47Å; Y265-D551 WeakPolarHBondContact CE1-OD1 3.43Å; Y265-D551 PolarHBondContact OH-OD1 3.4Å; Y508-D551 PolarHBondContact OH-OD1 3.18Å; Y508-D551 PolarHBondContact OH-OD2 2.9Å; M524-D551 HydrophobicContact CE-CB 3.95Å; M524-D551 HydrophobicContact SD-CB 4.43Å; S526-D551 WeakPolarHBondContact CB-OD1 3.16Å; S526-D551 PolarHBondContact OG-OD1 3.38Å
552	V	88.9	Confident	88.5	Confident	5 Å²	5	19.4 Å²	19.4	3%	0.03	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	110.9	173.3	-173.6	0	0	0	0	107.8	M150 L151 K154 W504 M524 T525 L554 L557	M150-V552 HydrophobicContact SD-CG1 4.24Å; L151-V552 HydrophobicContact CD2-CG1 4.2Å; L151-V552 HydrophobicContact CD2-CG2 4.39Å; K154-V552 HydrophobicContact CB-CG2 4.36Å; K154-V552 HydrophobicContact CD-CG2 4.43Å; K154-V552 HydrophobicContact CG-CG2 3.8Å; W504-V552 HydrophobicContact CH2-CG2 4.33Å; W504-V552 HydrophobicContact CZ3-CG2 4.01Å; M524-V552 WeakPolarHBondContact CA-O 3.27Å; T525-V552 HydrophobicContact CG2-CB 4.08Å; T525-V552 PolarHBondContact N-O 2.76Å; T525-V552 PolarHBondContact O-N 2.74Å; V552-L554 PolarHBondContact O-N 3.5Å; V552-L557 HydrophobicContact CG1-CD1 4.1Å; V552-L557 HydrophobicContact CG1-CG 4.16Å
553	A	86.3	Confident	89.1	Confident	3 Å²	3	20.3 Å²	20.3	3%	0.025	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	121.2	172.5	0	0	0	0	0	109.8	T262 L522 M524 R555 E556	T262-A553 HydrophobicContact CG2-CB 4.21Å; L522-A553 HydrophobicContact CD1-CB 4.15Å; M524-A553 HydrophobicContact CE-CB 4.09Å; A553-R555 PolarHBondContact O-N 3.18Å; A553-E556 HydrophobicContact CB-CG 4.12Å; A553-E556 WeakPolarHBondContact O-CB 3.5Å; A553-E556 PolarHBondContact O-N 2.78Å
554	L	87.9	Confident	89.2	Confident	3 Å²	3	17.1 Å²	17.1	2%	0.016	8%	0.08	C	C	.	.	H	α-helix	trans	-62.9	-22.7	-175.6	-60.5	-178	0	0	0	112.6	A507 L523 T525 V552 E556 L557 M558 L582	A507-L554 HydrophobicContact CB-CD1 3.69Å; L523-L554 HydrophobicContact CB-CD1 3.81Å; L523-L554 HydrophobicContact CB-CG 4.38Å; L523-L554 PolarHBondContact O-N 3.25Å; T525-L554 HydrophobicContact CG2-CD2 3.58Å; V552-L554 PolarHBondContact O-N 3.5Å; L554-E556 VanDerWaalsContact C-N 3.27Å; L554-E556 PolarHBondContact O-N 3.38Å; L554-L557 HydrophobicContact CD2-CD1 3.85Å; L554-L557 PolarHBondContact O-N 2.94Å; L554-M558 WeakPolarHBondContact O-CG 2.99Å; L554-M558 PolarHBondContact O-N 3.01Å; L554-L582 HydrophobicContact CD1-CB 4.19Å; L554-L582 WeakPolarHBondContact CD1-O 3.47Å
555	R	82.4	Confident	89.3	Confident	94 Å²	94	18.4 Å²	18.4	36%	0.355	9%	0.085	S	C	.	.	H	α-helix	trans	-59.6	-36.4	171.6	-170.8	179.3	-177.9	-158	-4.1	112.6	L522 A553 M558 K559 L811	L522-R555 HydrophobicContact CD2-CB 3.86Å; A553-R555 PolarHBondContact O-N 3.18Å; R555-M558 PolarHBondContact O-N 2.98Å; R555-K559 PolarHBondContact O-N 3.25Å; R555-K559 VanDerWaalsContact O-N 3.1Å; R555-L811 HydrophobicContact CG-CD1 4.15Å
556	E	83.7	Confident	89.1	Confident	37 Å²	37	17 Å²	17	17%	0.173	8%	0.078	C	C	.	.	H	α-helix	trans	-72.8	-36.4	-179.9	-58.3	-54.5	120.4	0	0	111.4	M150 A553 L554 K559	M150-E556 HydrophobicContact CE-CB 4.49Å; A553-E556 HydrophobicContact CB-CG 4.12Å; A553-E556 WeakPolarHBondContact O-CB 3.5Å; A553-E556 PolarHBondContact O-N 2.78Å; L554-E556 VanDerWaalsContact C-N 3.27Å; L554-E556 PolarHBondContact O-N 3.38Å; E556-K559 WeakPolarHBondContact O-CB 2.95Å; E556-K559 PolarHBondContact O-N 2.8Å; E556-K559 WeakPolarHBondContact OE1-CE 3.43Å; E556-K559 IonicContact OE1-NZ 3.68Å; E556-K559 PolarHBondContact OE1-NZ 3.33Å; E556-K559 WeakPolarHBondContact OE2-CD 3.2Å; E556-K559 WeakPolarHBondContact OE2-CE 3.42Å; E556-K559 IonicContact OE2-NZ 2.71Å; E556-K559 PolarHBondContact OE2-NZ 3.39Å
557	L	87.8	Confident	88.8	Confident	1 Å²	1	17.3 Å²	17.3	1%	0.005	8%	0.081	C	C	.	.	H	α-helix	trans	-59.6	-47.6	168.4	-74.9	164.6	0	0	0	111	M147 M150 L151 V552 L554 K559 L560 L574	M147-L557 HydrophobicContact CB-CD2 4.34Å; M147-L557 WeakPolarHBondContact CE-O 3.31Å; M147-L557 HydrophobicContact CG-CD2 4.1Å; M150-L557 HydrophobicContact CE-CB 4.41Å; M150-L557 HydrophobicContact CE-CD2 3.44Å; M150-L557 VanDerWaalsContact CE-CD2 3.44Å; M150-L557 HydrophobicContact CE-CG 3.76Å; M150-L557 HydrophobicContact SD-CD2 4.23Å; L151-L557 HydrophobicContact CD1-CD2 4.08Å; L151-L557 HydrophobicContact CD2-CD1 4.26Å; L151-L557 HydrophobicContact CD2-CD2 3.9Å; L151-L557 HydrophobicContact CG-CD2 3.96Å; V552-L557 HydrophobicContact CG1-CD1 4.1Å; V552-L557 HydrophobicContact CG1-CG 4.16Å; L554-L557 HydrophobicContact CD2-CD1 3.85Å; L554-L557 PolarHBondContact O-N 2.94Å; L557-K559 PolarHBondContact O-N 2.97Å; L557-L560 WeakPolarHBondContact O-CB 3.28Å; L557-L560 PolarHBondContact O-N 3.08Å; L557-L574 HydrophobicContact CB-CD1 4.26Å; L557-L574 HydrophobicContact CD1-CD1 4.22Å
558	M	87.3	Confident	88.5	Confident	17 Å²	17	17.7 Å²	17.7	8%	0.084	8%	0.083	C	C	.	.	H	α-helix	trans	-69.5	-16.4	-178.5	-60.5	-47.9	-65.2	0	0	114.1	L554 R555 L560 A561 A572 L574 S583 L811	L554-M558 WeakPolarHBondContact O-CG 2.99Å; L554-M558 PolarHBondContact O-N 3.01Å; R555-M558 PolarHBondContact O-N 2.98Å; M558-L560 VanDerWaalsContact C-N 3.25Å; M558-L560 PolarHBondContact O-N 3Å; M558-A561 PolarHBondContact O-N 2.75Å; M558-A572 HydrophobicContact CE-CB 3.77Å; M558-A572 WeakPolarHBondContact CE-O 3.38Å; M558-L574 HydrophobicContact SD-CD1 4.03Å; M558-L574 HydrophobicContact SD-CG 4.45Å; M558-S583 WeakPolarHBondContact CG-OG 3.31Å; M558-L811 HydrophobicContact CB-CD2 3.94Å
559	K	85.6	Confident	88.1	Confident	42 Å²	42	18.4 Å²	18.4	18%	0.183	9%	0.086	C	C	.	.	H	α-helix	trans	-63.7	-30.2	168.8	-74.2	178	-174.9	168	0	112.1	R555 E556 L557 A561 D708 L811	R555-K559 PolarHBondContact O-N 3.25Å; R555-K559 VanDerWaalsContact O-N 3.1Å; E556-K559 WeakPolarHBondContact O-CB 2.95Å; E556-K559 PolarHBondContact O-N 2.8Å; E556-K559 WeakPolarHBondContact OE1-CE 3.43Å; E556-K559 IonicContact OE1-NZ 3.68Å; E556-K559 PolarHBondContact OE1-NZ 3.33Å; E556-K559 WeakPolarHBondContact OE2-CD 3.2Å; E556-K559 WeakPolarHBondContact OE2-CE 3.42Å; E556-K559 IonicContact OE2-NZ 2.71Å; E556-K559 PolarHBondContact OE2-NZ 3.39Å; L557-K559 PolarHBondContact O-N 2.97Å; K559-A561 VanDerWaalsContact C-N 3.3Å; K559-A561 PolarHBondContact O-N 3.16Å; K559-D708 IonicContact NZ-OD2 3.98Å; K559-D708 PolarHBondContact NZ-OD2 2.99Å; K559-L811 HydrophobicContact CG-CD1 3.99Å
560	L	88.6	Confident	87.8	Confident	48 Å²	48	18.4 Å²	18.4	25%	0.251	9%	0.086	S	C	.	.	H	α-helix	trans	-70.7	-23.9	179.6	-58.4	174.7	0	0	0	112.9	M147 M150 L557 M558 P562	M147-L560 HydrophobicContact CB-CD1 4.48Å; M147-L560 HydrophobicContact CE-CB 4.43Å; M147-L560 HydrophobicContact CG-CB 4.47Å; M147-L560 HydrophobicContact CG-CD1 3.83Å; M150-L560 HydrophobicContact CB-CD1 4.29Å; M150-L560 HydrophobicContact CE-CD1 4Å; L557-L560 WeakPolarHBondContact O-CB 3.28Å; L557-L560 PolarHBondContact O-N 3.08Å; M558-L560 VanDerWaalsContact C-N 3.25Å; M558-L560 PolarHBondContact O-N 3Å; L560-P562 WeakPolarHBondContact O-CD 3.05Å
561	A	90.4	Very high	87.7	Confident	2 Å²	2	19.6 Å²	19.6	2%	0.017	9%	0.091	C	C	.	.	S	Bend	trans	-109.5	65	177.7	0	0	0	0	0	112.6	F143 M147 M558 K559 A572	F143-A561 HydrophobicContact CD2-CB 3.5Å; F143-A561 HydrophobicContact CE2-CB 3.82Å; F143-A561 HydrophobicContact CG-CB 4.22Å; M147-A561 HydrophobicContact CE-CB 4.02Å; M558-A561 PolarHBondContact O-N 2.75Å; K559-A561 VanDerWaalsContact C-N 3.3Å; K559-A561 PolarHBondContact O-N 3.16Å; A561-A572 HydrophobicContact CB-CB 3.59Å
562	P	88	Confident	87.9	Confident	29 Å²	29	19.3 Å²	19.3	19%	0.188	9%	0.09	C	C	.	.			trans	-73.5	140.2	-168.6	31.8	-38.3	0	0	0	113.1	L560 Y564 K565	L560-P562 WeakPolarHBondContact O-CD 3.05Å; P562-Y564 VanDerWaalsContact C-N 3.3Å; P562-Y564 HydrophobicContact CB-CD1 3.83Å; P562-Y564 HydrophobicContact CB-CE1 3.81Å; P562-Y564 HydrophobicContact CG-CD1 4.09Å; P562-Y564 HydrophobicContact CG-CE1 3.62Å; P562-Y564 PolarHBondContact O-N 3.37Å; P562-K565 HydrophobicContact CG-CD 3.81Å; P562-K565 HydrophobicContact CG-CG 4.12Å; P562-K565 PolarHBondContact O-N 2.72Å; P562-K565 VanDerWaalsContact O-N 3.13Å
563	R	86.2	Confident	88.1	Confident	23 Å²	23	19.1 Å²	19.1	9%	0.087	9%	0.088	C	C	.	.	H	α-helix	trans	-61.2	-29.7	-172.4	-62.3	-51.1	-165.8	81.9	17.5	115.6	K565 L566 G567 G570 L811 D812 F814	R563-K565 PolarHBondContact O-N 3Å; R563-K565 VanDerWaalsContact O-N 3.15Å; R563-L566 PolarHBondContact O-N 3.37Å; R563-G567 PolarHBondContact O-N 3.19Å; R563-G567 VanDerWaalsContact O-N 3.08Å; R563-G570 WeakPolarHBondContact CD-O 2.91Å; R563-G570 PolarHBondContact NH1-O 2.85Å; R563-L811 WeakPolarHBondContact CG-O 3.1Å; R563-D812 VanDerWaalsContact CZ-O 3.3Å; R563-D812 PolarHBondContact NH1-O 3.27Å; R563-D812 PolarHBondContact NH2-O 3.27Å; R563-F814 HydrophobicContact CB-CE2 3.92Å
564	Y	87	Confident	88.5	Confident	14 Å²	14	19 Å²	19	6%	0.055	9%	0.087	C	C	.	.	H	α-helix	trans	-63.6	-21.5	179.6	83.9	-92.2	0	0	0	113.4	P562 D736 L739 R779	P562-Y564 VanDerWaalsContact C-N 3.3Å; P562-Y564 HydrophobicContact CB-CD1 3.83Å; P562-Y564 HydrophobicContact CB-CE1 3.81Å; P562-Y564 HydrophobicContact CG-CD1 4.09Å; P562-Y564 HydrophobicContact CG-CE1 3.62Å; P562-Y564 PolarHBondContact O-N 3.37Å; Y564-D736 PolarHBondContact OH-OD1 2.77Å; Y564-D736 PolarHBondContact OH-OD2 3.01Å; Y564-L739 HydrophobicContact CD1-CD1 3.91Å; Y564-L739 HydrophobicContact CD1-CD2 4.14Å; Y564-L739 HydrophobicContact CD1-CG 4.48Å; Y564-L739 HydrophobicContact CD2-CD1 4Å; Y564-L739 HydrophobicContact CE1-CB 4.12Å; Y564-L739 HydrophobicContact CE1-CD1 4.15Å; Y564-L739 HydrophobicContact CE1-CD2 3.95Å; Y564-L739 HydrophobicContact CE1-CG 4.29Å; Y564-L739 HydrophobicContact CE2-CB 4.21Å; Y564-L739 HydrophobicContact CE2-CD1 4.21Å; Y564-L739 HydrophobicContact CG-CD1 3.86Å; Y564-R779 PolarHBondContact O-NH1 3.39Å
565	K	88.6	Confident	88.8	Confident	34 Å²	34	18.9 Å²	18.9	15%	0.148	9%	0.086	C	C	.	.	H	α-helix	trans	-82.7	-26.4	172.7	-62.9	-179.8	-174	167.9	0	113.1	F143 P562 R563 I677	F143-K565 HydrophobicContact CE1-CD 3.97Å; F143-K565 HydrophobicContact CZ-CB 4.24Å; F143-K565 HydrophobicContact CZ-CD 3.76Å; P562-K565 HydrophobicContact CG-CD 3.81Å; P562-K565 HydrophobicContact CG-CG 4.12Å; P562-K565 PolarHBondContact O-N 2.72Å; P562-K565 VanDerWaalsContact O-N 3.13Å; R563-K565 PolarHBondContact O-N 3Å; R563-K565 VanDerWaalsContact O-N 3.15Å; K565-I677 WeakPolarHBondContact O-CD1 3.28Å
566	L	88.4	Confident	89.2	Confident	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.07	C	C	.	.	H	α-helix	trans	-94.7	-13.7	-175.4	-59.8	-176.7	0	0	0	114	L139 F143 R563 Y571 A572 I667 L669	L139-L566 HydrophobicContact CD1-CD2 4.23Å; F143-L566 HydrophobicContact CE2-CD2 3.93Å; F143-L566 HydrophobicContact CE2-CG 4.4Å; R563-L566 PolarHBondContact O-N 3.37Å; L566-Y571 VanDerWaalsContact CD1-C 3.44Å; L566-A572 HydrophobicContact CD1-CB 4.13Å; L566-I667 HydrophobicContact CD1-CG2 4.31Å; L566-I667 HydrophobicContact CD2-CD1 4.39Å; L566-I667 HydrophobicContact CD2-CG2 3.46Å; L566-I667 VanDerWaalsContact CD2-CG2 3.46Å; L566-I667 HydrophobicContact CG-CG2 4.48Å; L566-L669 HydrophobicContact CB-CD2 4.25Å; L566-L669 HydrophobicContact CD2-CD2 4.06Å; L566-L669 VanDerWaalsContact O-CD2 3.26Å; L566-L669 WeakPolarHBondContact O-CD2 3.48Å
567	G	87	Confident	89.6	Confident	5 Å²	5	13.5 Å²	13.5	5%	0.052	7%	0.066	C	C	.	.			trans	91.6	-168.1	-177.5	0	0	0	0	0	113.2	R563 F814	R563-G567 PolarHBondContact O-N 3.19Å; R563-G567 VanDerWaalsContact O-N 3.08Å; G567-F814 VanDerWaalsContact O-CE2 3.27Å; G567-F814 WeakPolarHBondContact O-CE2 3.18Å
568	I	88.6	Confident	89.6	Confident	8 Å²	8	13.6 Å²	13.6	4%	0.041	7%	0.067	C	C	.	.	S	Bend	trans	-78.2	-40.9	-160.6	-60.5	163.1	0	0	0	111.9	Y673 F814 Y818 R819 A822 I860	I568-Y673 PolarHBondContact N-O 3.14Å; I568-F814 HydrophobicContact CG2-CB 4.5Å; I568-F814 HydrophobicContact CG2-CG 4.49Å; I568-F814 WeakPolarHBondContact O-CD2 3.13Å; I568-Y818 HydrophobicContact CB-CE1 4.5Å; I568-Y818 HydrophobicContact CD1-CE1 3.75Å; I568-Y818 HydrophobicContact CG1-CD1 4.48Å; I568-Y818 HydrophobicContact CG1-CE1 3.75Å; I568-Y818 HydrophobicContact CG2-CD1 3.82Å; I568-Y818 HydrophobicContact CG2-CE1 3.95Å; I568-R819 HydrophobicContact CG2-CG 4.04Å; I568-A822 HydrophobicContact CD1-CB 3.85Å; I568-A822 HydrophobicContact CG2-CB 4.17Å; I568-I860 HydrophobicContact CD1-CB 3.84Å; I568-I860 HydrophobicContact CD1-CD1 3.72Å; I568-I860 HydrophobicContact CD1-CG1 4.32Å; I568-I860 HydrophobicContact CD1-CG2 3.85Å
569	H	88.1	Confident	89.7	Confident	15 Å²	15	12.8 Å²	12.8	7%	0.069	6%	0.063	C	C	.	.	S	Bend	trans	-105.8	-3.7	176.4	-62.1	-81.2	0	0	0	112.6	Y571 L649 S670 R819 E823	H569-Y571 VanDerWaalsContact O-CD1 3.26Å; H569-Y571 WeakPolarHBondContact O-CD1 3.41Å; H569-L649 HydrophobicContact CB-CD1 4.18Å; H569-S670 VanDerWaalsContact CB-OG 3.32Å; H569-S670 WeakPolarHBondContact CB-OG 3.35Å; H569-R819 VanDerWaalsContact CE1-CB 3.48Å; H569-R819 WeakPolarHBondContact CE1-CB 3.41Å; H569-R819 PolarHBondContact CE1-O 3.26Å; H569-R819 PolarHBondContact NE2-O 2.73Å; H569-E823 IonicContact CD2-OE1 3.59Å; H569-E823 PolarHBondContact CD2-OE1 3.26Å; H569-E823 VanDerWaalsContact CD2-OE1 3.26Å; H569-E823 IonicContact CE1-OE1 3.93Å; H569-E823 WeakPolarHBondContact NE2-CG 3.47Å; H569-E823 IonicContact NE2-OE1 2.57Å; H569-E823 PolarHBondContact NE2-OE1 3.11Å; H569-E823 IonicContact NE2-OE2 2.81Å
570	G	89.8	Confident	90	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.057	C	C	.	.			trans	-72.4	146.3	177.8	0	0	0	0	0	112.9	R563 V668	R563-G570 WeakPolarHBondContact CD-O 2.91Å; R563-G570 PolarHBondContact NH1-O 2.85Å; G570-V668 WeakPolarHBondContact CA-O 3.48Å
571	Y	91.1	Very high	90.2	Very high	25 Å²	25	9.5 Å²	9.5	10%	0.098	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149	156.3	179.4	50.8	-78.6	0	0	0	111	L566 H569 F573 H584 P585 E612 I667 V668	L566-Y571 VanDerWaalsContact CD1-C 3.44Å; H569-Y571 VanDerWaalsContact O-CD1 3.26Å; H569-Y571 WeakPolarHBondContact O-CD1 3.41Å; Y571-F573 HydrophobicContact CD2-CD1 4.04Å; Y571-F573 HydrophobicContact CE2-CD1 4.04Å; Y571-H584 AromaticContact CD2-NE2 3.92Å; Y571-H584 AromaticContact CE2-CE1 3.92Å; Y571-H584 AromaticContact CE2-NE2 3.27Å; Y571-H584 VanDerWaalsContact CE2-NE2 3.27Å; Y571-H584 WeakPolarHBondContact CE2-NE2 3.39Å; Y571-P585 HydrophobicContact CD2-CG 4.11Å; Y571-P585 HydrophobicContact CG-CG 4.11Å; Y571-E612 PolarHBondContact OH-OE1 3.03Å; Y571-E612 PolarHBondContact OH-OE2 2.92Å; Y571-E612 VanDerWaalsContact OH-OE2 3.04Å; Y571-I667 CarbonylContact O-C 3.59Å; Y571-I667 WeakPolarHBondContact O-CA 3.47Å; Y571-V668 HydrophobicContact CD1-CB 3.98Å; Y571-V668 HydrophobicContact CD1-CG1 4.45Å; Y571-V668 HydrophobicContact CD1-CG2 4.32Å; Y571-V668 HydrophobicContact CD2-CB 4.37Å; Y571-V668 HydrophobicContact CD2-CG2 3.88Å; Y571-V668 HydrophobicContact CE1-CB 3.79Å; Y571-V668 HydrophobicContact CE1-CG1 3.88Å; Y571-V668 HydrophobicContact CE1-CG2 3.97Å; Y571-V668 HydrophobicContact CE2-CB 4.22Å; Y571-V668 HydrophobicContact CE2-CG2 3.51Å; Y571-V668 HydrophobicContact CG-CB 4.25Å; Y571-V668 HydrophobicContact CG-CG2 4.27Å; Y571-V668 PolarHBondContact N-O 3.21Å; Y571-V668 PolarHBondContact O-N 2.96Å
572	A	93.3	Very high	90.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	154.2	162.7	0	0	0	0	0	109.2	M558 A561 L566 L665 G666 I667	M558-A572 HydrophobicContact CE-CB 3.77Å; M558-A572 WeakPolarHBondContact CE-O 3.38Å; A561-A572 HydrophobicContact CB-CB 3.59Å; L566-A572 HydrophobicContact CD1-CB 4.13Å; A572-L665 HydrophobicContact CB-CD1 4.25Å; A572-G666 CarbonylContact C-O 3.51Å; A572-G666 VanDerWaalsContact CA-O 3.25Å; A572-G666 WeakPolarHBondContact CA-O 3.47Å; A572-I667 HydrophobicContact CB-CG1 4.16Å
573	F	93.8	Very high	90.3	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.044	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	156.2	173.3	66.1	-87.7	0	0	0	110.9	Y571 I575 S583 H584 L608 L620 M624 Y653 G666 V668	Y571-F573 HydrophobicContact CD2-CD1 4.04Å; Y571-F573 HydrophobicContact CE2-CD1 4.04Å; F573-I575 HydrophobicContact CD2-CG2 3.97Å; F573-I575 HydrophobicContact CE2-CG2 4.06Å; F573-S583 VanDerWaalsContact CA-O 3.26Å; F573-S583 WeakPolarHBondContact CA-O 3.43Å; F573-S583 WeakPolarHBondContact CB-O 3.34Å; F573-H584 HydrophobicContact CB-CB 4.41Å; F573-H584 VanDerWaalsContact CB-CD2 3.45Å; F573-H584 WeakPolarHBondContact CB-CD2 3.47Å; F573-H584 AromaticContact CG-CD2 3.83Å; F573-L608 HydrophobicContact CD2-CD1 3.99Å; F573-L608 HydrophobicContact CE2-CD1 3.59Å; F573-L608 HydrophobicContact CE2-CD2 4.11Å; F573-L608 HydrophobicContact CZ-CD1 4.24Å; F573-L620 HydrophobicContact CZ-CD2 4.44Å; F573-M624 HydrophobicContact CE2-CE 3.67Å; F573-M624 HydrophobicContact CE2-SD 3.83Å; F573-M624 HydrophobicContact CZ-CE 4.04Å; F573-M624 HydrophobicContact CZ-SD 3.89Å; F573-Y653 HydrophobicContact CE1-CD1 4.03Å; F573-Y653 HydrophobicContact CE1-CE1 4.18Å; F573-Y653 HydrophobicContact CZ-CD1 4.23Å; F573-Y653 HydrophobicContact CZ-CE1 4.5Å; F573-G666 PolarHBondContact N-O 3.04Å; F573-G666 PolarHBondContact O-N 2.7Å; F573-V668 HydrophobicContact CD1-CG2 4.1Å; F573-V668 HydrophobicContact CE1-CG2 3.72Å
574	L	94.1	Very high	90.5	Very high	1 Å²	1	8.5 Å²	8.5	1%	0.005	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	135.7	-176.6	-73.2	167	0	0	0	110.1	M147 L557 M558 L582 S583 I658 L665	M147-L574 HydrophobicContact SD-CD2 4.1Å; L557-L574 HydrophobicContact CB-CD1 4.26Å; L557-L574 HydrophobicContact CD1-CD1 4.22Å; M558-L574 HydrophobicContact SD-CD1 4.03Å; M558-L574 HydrophobicContact SD-CG 4.45Å; L574-L582 HydrophobicContact CB-CB 3.96Å; L574-L582 HydrophobicContact CB-CD1 4.25Å; L574-L582 PolarHBondContact O-N 2.85Å; L574-S583 PolarHBondContact N-O 3.2Å; L574-S583 PolarHBondContact O-N 3.34Å; L574-I658 HydrophobicContact CD2-CD1 3.7Å; L574-L665 HydrophobicContact CD2-CB 4.12Å; L574-L665 HydrophobicContact CD2-CD1 3.84Å; L574-L665 HydrophobicContact CG-CD1 4.34Å
575	I	94.3	Very high	90.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	155.8	174.6	74	170.1	0	0	0	112.5	F573 Y580 L608 M624 V625 F663 S664	F573-I575 HydrophobicContact CD2-CG2 3.97Å; F573-I575 HydrophobicContact CE2-CG2 4.06Å; I575-Y580 CarbonylContact C-O 3.59Å; I575-Y580 WeakPolarHBondContact CA-O 3.42Å; I575-L608 HydrophobicContact CG2-CB 4.49Å; I575-L608 HydrophobicContact CG2-CD1 4.39Å; I575-L608 HydrophobicContact CG2-CD2 4.44Å; I575-M624 HydrophobicContact CD1-CB 3.42Å; I575-M624 VanDerWaalsContact CD1-CB 3.42Å; I575-M624 HydrophobicContact CD1-CE 4.12Å; I575-M624 HydrophobicContact CD1-CG 4.45Å; I575-M624 HydrophobicContact CD1-SD 4.33Å; I575-M624 HydrophobicContact CG1-CB 4.39Å; I575-M624 HydrophobicContact CG1-CE 4.14Å; I575-V625 HydrophobicContact CD1-CG2 4.23Å; I575-F663 WeakPolarHBondContact O-CA 3.14Å; I575-S664 PolarHBondContact N-O 2.86Å; I575-S664 PolarHBondContact O-N 2.89Å
576	T	92.6	Very high	90.3	Very high	3 Å²	3	11.4 Å²	11.4	2%	0.018	6%	0.06	C	C	.	.			trans	-85.3	170.3	171.3	71.9	0	0	0	0	112.4	N578 G579 Y580 L582 F663	T576-N578 PolarHBondContact O-N 2.03Å; T576-N578 VanDerWaalsContact O-N 3.14Å; T576-N578 PolarHBondContact OG1-N 3.15Å; T576-G579 PolarHBondContact O-N 3.47Å; T576-Y580 PolarHBondContact N-O 2.57Å; T576-Y580 PolarHBondContact OG1-N 2.8Å; T576-L582 HydrophobicContact CG2-CD1 4.17Å; T576-L582 HydrophobicContact CG2-CD2 3.61Å; T576-L582 HydrophobicContact CG2-CG 3.7Å; T576-F663 HydrophobicContact CG2-CE1 4.42Å
577	N	90.2	Very high	90.2	Very high	16 Å²	16	12.2 Å²	12.2	9%	0.086	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-12.6	172.6	63.5	-65.8	0	0	0	114.2	V625 P662 R1105	N577-V625 WeakPolarHBondContact O-CG1 3.25Å; N577-P662 HydrophobicContact CB-CB 4.13Å; N577-P662 PolarHBondContact N-O 3.5Å; N577-R1105 HydrophobicContact CB-CB 4.19Å; N577-R1105 PolarHBondContact ND2-O 2.98Å; N577-R1105 PolarHBondContact O-N 2.92Å
578	N	89.1	Confident	90.1	Very high	3 Å²	3	17 Å²	17	2%	0.016	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-10.8	172.7	-70.8	-35.9	0	0	0	112.9	N341 T576 Y580 R621	N341-N578 PolarHBondContact OD1-ND2 2.95Å; N341-N578 VanDerWaalsContact OD1-ND2 3.15Å; T576-N578 PolarHBondContact O-N 2.03Å; T576-N578 VanDerWaalsContact O-N 3.14Å; T576-N578 PolarHBondContact OG1-N 3.15Å; N578-Y580 HydrophobicContact CB-CD2 3.63Å; N578-Y580 HydrophobicContact CB-CE2 3.42Å; N578-Y580 VanDerWaalsContact CB-CE2 3.42Å; N578-R621 PolarHBondContact O-NH2 2.81Å
579	G	89.9	Confident	89.8	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	92.4	5.4	-178	0	0	0	0	0	114.5	T576 L608	T576-G579 PolarHBondContact O-N 3.47Å; G579-L608 PolarHBondContact O-N 3.5Å; G579-L608 VanDerWaalsContact O-N 3.13Å
580	Y	91.5	Very high	89.6	Confident	18 Å²	18	19.1 Å²	19.1	7%	0.071	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-74.3	146.4	173.6	-53.1	-54.1	0	0	0	111	E340 Q366 D368 I575 T576 N578 S605 V606	E340-Y580 HydrophobicContact CB-CE2 4.2Å; E340-Y580 HydrophobicContact CG-CE2 4.46Å; E340-Y580 WeakPolarHBondContact OE2-CD2 3.47Å; E340-Y580 WeakPolarHBondContact OE2-CE2 3.29Å; Q366-Y580 PolarHBondContact NE2-OH 3.28Å; Q366-Y580 VanDerWaalsContact NE2-OH 3.08Å; D368-Y580 PolarHBondContact OD1-OH 2.91Å; I575-Y580 CarbonylContact C-O 3.59Å; I575-Y580 WeakPolarHBondContact CA-O 3.42Å; T576-Y580 PolarHBondContact N-O 2.57Å; T576-Y580 PolarHBondContact OG1-N 2.8Å; N578-Y580 HydrophobicContact CB-CD2 3.63Å; N578-Y580 HydrophobicContact CB-CE2 3.42Å; N578-Y580 VanDerWaalsContact CB-CE2 3.42Å; Y580-S605 VanDerWaalsContact CD1-O 3.27Å; Y580-S605 WeakPolarHBondContact CD1-O 3.47Å; Y580-S605 WeakPolarHBondContact CE1-O 3.43Å; Y580-V606 WeakPolarHBondContact CA-O 3.38Å
581	I	92.1	Very high	89.1	Confident	2 Å²	2	20.7 Å²	20.7	1%	0.01	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	123.5	178.7	-65.5	173.6	0	0	0	109.5	H584 L587 V606 V611	I581-H584 HydrophobicContact CD1-CB 4.11Å; I581-H584 HydrophobicContact CG2-CB 3.4Å; I581-L587 HydrophobicContact CG2-CB 4.49Å; I581-L587 HydrophobicContact CG2-CD2 4.02Å; I581-V606 HydrophobicContact CD1-CG1 4.39Å; I581-V606 PolarHBondContact N-O 3.03Å; I581-V611 HydrophobicContact CD1-CB 3.79Å; I581-V611 HydrophobicContact CD1-CG1 4.43Å; I581-V611 HydrophobicContact CD1-CG2 3.38Å
582	L	90.9	Very high	88.4	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.005	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	-53.9	164.2	-67	172.1	0	0	0	110.5	A507 L554 L574 T576 F663	A507-L582 HydrophobicContact CB-CD2 3.96Å; L554-L582 HydrophobicContact CD1-CB 4.19Å; L554-L582 WeakPolarHBondContact CD1-O 3.47Å; L574-L582 HydrophobicContact CB-CB 3.96Å; L574-L582 HydrophobicContact CB-CD1 4.25Å; L574-L582 PolarHBondContact O-N 2.85Å; T576-L582 HydrophobicContact CG2-CD1 4.17Å; T576-L582 HydrophobicContact CG2-CD2 3.61Å; T576-L582 HydrophobicContact CG2-CG 3.7Å; L582-F663 HydrophobicContact CD1-CB 4.43Å; L582-F663 HydrophobicContact CD1-CD1 3.47Å; L582-F663 VanDerWaalsContact CD1-CD1 3.47Å; L582-F663 HydrophobicContact CD1-CD2 4.02Å; L582-F663 HydrophobicContact CD1-CE1 3.51Å; L582-F663 HydrophobicContact CD1-CE2 4.04Å; L582-F663 HydrophobicContact CD1-CG 3.72Å; L582-F663 HydrophobicContact CD1-CZ 3.77Å; L582-F663 HydrophobicContact CD2-CE1 4.41Å
583	S	90.1	Very high	87.4	Confident	22 Å²	22	30.2 Å²	30.2	15%	0.154	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	127.4	-179.7	-162.7	0	0	0	0	110.7	M558 F573 L574	M558-S583 WeakPolarHBondContact CG-OG 3.31Å; F573-S583 VanDerWaalsContact CA-O 3.26Å; F573-S583 WeakPolarHBondContact CA-O 3.43Å; F573-S583 WeakPolarHBondContact CB-O 3.34Å; L574-S583 PolarHBondContact N-O 3.2Å; L574-S583 PolarHBondContact O-N 3.34Å
584	H	89.9	Confident	86.5	Confident	10 Å²	10	34 Å²	34	5%	0.046	18%	0.182	C	C	.	.			trans	-151.7	144	175.8	-168.1	-89.8	0	0	0	110	Y571 F573 I581 E586 L587 V611 E612	Y571-H584 AromaticContact CD2-NE2 3.92Å; Y571-H584 AromaticContact CE2-CE1 3.92Å; Y571-H584 AromaticContact CE2-NE2 3.27Å; Y571-H584 VanDerWaalsContact CE2-NE2 3.27Å; Y571-H584 WeakPolarHBondContact CE2-NE2 3.39Å; F573-H584 HydrophobicContact CB-CB 4.41Å; F573-H584 VanDerWaalsContact CB-CD2 3.45Å; F573-H584 WeakPolarHBondContact CB-CD2 3.47Å; F573-H584 AromaticContact CG-CD2 3.83Å; I581-H584 HydrophobicContact CD1-CB 4.11Å; I581-H584 HydrophobicContact CG2-CB 3.4Å; H584-E586 VanDerWaalsContact C-N 3.26Å; H584-E586 PolarHBondContact ND1-N 3.01Å; H584-E586 PolarHBondContact O-N 2.61Å; H584-L587 HydrophobicContact CB-CB 4.22Å; H584-L587 VanDerWaalsContact O-CB 3.32Å; H584-L587 WeakPolarHBondContact O-CB 3.42Å; H584-L587 PolarHBondContact O-N 2.87Å; H584-V611 VanDerWaalsContact CE1-CG1 3.48Å; H584-V611 WeakPolarHBondContact CE1-CG1 3.38Å; H584-V611 VanDerWaalsContact ND1-CG1 3.32Å; H584-V611 WeakPolarHBondContact ND1-CG1 3.4Å; H584-E612 IonicContact CE1-OE1 3.62Å; H584-E612 PolarHBondContact CE1-OE1 3.1Å; H584-E612 IonicContact NE2-OE1 2.69Å; H584-E612 PolarHBondContact NE2-OE1 2.93Å
585	P	86.3	Confident	85.2	Confident	39 Å²	39	44.5 Å²	44.5	25%	0.253	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-29.8	-175.1	-24.5	36.6	0	0	0	114.5	Y571	Y571-P585 HydrophobicContact CD2-CG 4.11Å; Y571-P585 HydrophobicContact CG-CG 4.11Å
586	E	85.1	Confident	83.9	Confident	71 Å²	71	51.1 Å²	51.1	33%	0.332	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	5.5	178.4	-63.7	-64.7	149.3	0	0	113.6	H584 R588 V611 Q955	H584-E586 VanDerWaalsContact C-N 3.26Å; H584-E586 PolarHBondContact ND1-N 3.01Å; H584-E586 PolarHBondContact O-N 2.61Å; E586-R588 PolarHBondContact O-N 3.05Å; E586-V611 HydrophobicContact CB-CG1 3.63Å; E586-Q955 PolarHBondContact O-NE2 2.7Å
587	L	86.6	Confident	82.9	Confident	18 Å²	18	54 Å²	54	9%	0.094	27%	0.271	C	S	.	.			trans	-72	119.6	171.7	-177.9	64.7	0	0	0	109.5	L523 I581 H584 P589 V606	L523-L587 HydrophobicContact CD1-CD2 3.76Å; I581-L587 HydrophobicContact CG2-CB 4.49Å; I581-L587 HydrophobicContact CG2-CD2 4.02Å; H584-L587 HydrophobicContact CB-CB 4.22Å; H584-L587 VanDerWaalsContact O-CB 3.32Å; H584-L587 WeakPolarHBondContact O-CB 3.42Å; H584-L587 PolarHBondContact O-N 2.87Å; L587-P589 VanDerWaalsContact O-CD 3.28Å; L587-P589 WeakPolarHBondContact O-CD 3.41Å; L587-V606 HydrophobicContact CD1-CB 3.89Å; L587-V606 HydrophobicContact CD1-CG1 4.09Å; L587-V606 HydrophobicContact CD1-CG2 3.89Å
588	R	85.4	Confident	82.2	Confident	104 Å²	104	57.3 Å²	57.3	39%	0.392	29%	0.285	S	S	.	.			trans	-115.9	83.9	-178.1	-69.7	168.8	-72	144	8.9	109.6	E586 L590 K600 D953	E586-R588 PolarHBondContact O-N 3.05Å; R588-L590 VanDerWaalsContact C-N 3.27Å; R588-L590 PolarHBondContact O-N 2.74Å; R588-K600 WeakPolarHBondContact O-CD 2.81Å; R588-K600 WeakPolarHBondContact O-CE 3.39Å; R588-K600 PolarHBondContact O-NZ 2.94Å; R588-D953 IonicContact CZ-OD1 2.7Å; R588-D953 IonicContact CZ-OD2 3.04Å; R588-D953 IonicContact NH1-OD1 2.58Å; R588-D953 IonicContact NH1-OD2 3.22Å; R588-D953 PolarHBondContact NH1-OD2 2.72Å; R588-D953 VanDerWaalsContact NH2-CG 3.27Å; R588-D953 IonicContact NH2-OD1 2.83Å; R588-D953 PolarHBondContact NH2-OD1 2.99Å; R588-D953 IonicContact NH2-OD2 3.84Å; R588-D953 PolarHBondContact NH2-OD2 3.29Å
589	P	82.3	Confident	81.7	Confident	22 Å²	22	59.4 Å²	59.4	14%	0.143	30%	0.298	C	S	.	.			trans	-72.1	-18.2	-175.3	29.1	-36.1	0	0	0	113.8	M509 L523 L587 K600 Y603	M509-P589 HydrophobicContact SD-CB 4.04Å; L523-P589 HydrophobicContact CD1-CG 4.1Å; L523-P589 HydrophobicContact CD2-CB 4.29Å; L523-P589 HydrophobicContact CG-CG 4.39Å; L587-P589 VanDerWaalsContact O-CD 3.28Å; L587-P589 WeakPolarHBondContact O-CD 3.41Å; P589-K600 PolarHBondContact O-N 3.12Å; P589-Y603 HydrophobicContact CB-CD2 4.01Å; P589-Y603 HydrophobicContact CB-CG 4.28Å
590	L	82.9	Confident	81.3	Confident	47 Å²	47	60 Å²	60	25%	0.246	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	148.4	-174.8	-61.4	178.9	0	0	0	113.2	M509 F514 L521 R588 L597 K598 P599	M509-L590 HydrophobicContact CE-CD2 3.71Å; M509-L590 HydrophobicContact CE-CG 4.29Å; M509-L590 HydrophobicContact SD-CD2 4.13Å; F514-L590 HydrophobicContact CE1-CD2 4.45Å; L521-L590 HydrophobicContact CB-CD1 4.31Å; L521-L590 HydrophobicContact CD1-CD1 3.58Å; L521-L590 HydrophobicContact CD1-CD2 4.04Å; L521-L590 HydrophobicContact CD1-CG 4.47Å; R588-L590 VanDerWaalsContact C-N 3.27Å; R588-L590 PolarHBondContact O-N 2.74Å; L590-L597 HydrophobicContact CB-CD2 4.37Å; L590-K598 CarbonylContact C-O 3.58Å; L590-K598 WeakPolarHBondContact CA-O 3.44Å; L590-P599 HydrophobicContact CD2-CB 4.42Å
591	Y	80.7	Confident	80.7	Confident	33 Å²	33	62.3 Å²	62.3	13%	0.129	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	158.1	166.8	78.6	-80.3	0	0	0	111.8	E593 L597 K598 P599 K600 M957 L1020	Y591-E593 HydrophobicContact CE2-CB 3.91Å; Y591-E593 HydrophobicContact CE2-CG 4.5Å; Y591-L597 WeakPolarHBondContact O-CA 3.24Å; Y591-K598 HydrophobicContact CD1-CB 4.17Å; Y591-K598 WeakPolarHBondContact CD1-O 3.45Å; Y591-K598 HydrophobicContact CE1-CB 3.62Å; Y591-K598 PolarHBondContact N-O 3.32Å; Y591-K598 PolarHBondContact O-N 3.49Å; Y591-P599 VanDerWaalsContact CE1-O 3.29Å; Y591-P599 WeakPolarHBondContact CE1-O 3.47Å; Y591-K600 HydrophobicContact CD1-CB 4.45Å; Y591-K600 HydrophobicContact CD1-CG 3.85Å; Y591-K600 HydrophobicContact CG-CG 4.43Å; Y591-M957 HydrophobicContact CD1-CE 4.02Å; Y591-M957 HydrophobicContact CD2-CE 4.3Å; Y591-M957 HydrophobicContact CD2-CG 4.47Å; Y591-M957 HydrophobicContact CE1-CE 3.94Å; Y591-M957 HydrophobicContact CE2-CE 4.23Å; Y591-M957 HydrophobicContact CG-CE 4.2Å; Y591-M957 HydrophobicContact CG-CG 4.1Å; Y591-L1020 HydrophobicContact CD2-CD1 3.82Å; Y591-L1020 HydrophobicContact CE2-CB 4.06Å; Y591-L1020 HydrophobicContact CE2-CD1 3.77Å
592	K	75.8	Confident	80.1	Confident	168 Å²	168	63.1 Å²	63.1	73%	0.73	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	116.2	179.5	-72.1	178.8	179.9	178.3	0	110.4	L597	K592-L597 HydrophobicContact CD-CD2 4.44Å; K592-L597 HydrophobicContact CG-CD2 3.47Å; K592-L597 VanDerWaalsContact CG-CD2 3.47Å; K592-L597 HydrophobicContact CG-CG 4.37Å
593	E	72.6	Confident	79.7	Confident	57 Å²	57	64.8 Å²	64.8	27%	0.266	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	95.6	170.8	-163.8	173.9	-149.4	0	0	109.8	Y591 K595 K596 K598	Y591-E593 HydrophobicContact CE2-CB 3.91Å; Y591-E593 HydrophobicContact CE2-CG 4.5Å; E593-K595 PolarHBondContact O-N 3.39Å; E593-K595 VanDerWaalsContact O-N 3.08Å; E593-K596 PolarHBondContact N-O 3.4Å; E593-K596 PolarHBondContact O-N 3.5Å; E593-K596 VanDerWaalsContact O-N 3.17Å; E593-K598 HydrophobicContact CB-CD 4.48Å; E593-K598 WeakPolarHBondContact OE2-CD 3.46Å; E593-K598 VanDerWaalsContact OE2-CE 3.23Å; E593-K598 WeakPolarHBondContact OE2-CE 3.35Å; E593-K598 IonicContact OE2-NZ 2.61Å; E593-K598 PolarHBondContact OE2-NZ 2.99Å
594	G	73.5	Confident	79.4	Confident	80 Å²	80	64.7 Å²	64.7	83%	0.825	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	-107.2	-173.6	0	0	0	0	0	111.6
595	K	66.8	Low	79.1	Confident	220 Å²	220	65 Å²	65	96%	0.957	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-14.7	176.1	-70.5	-171.4	179.1	-176.7	0	114.1	E593	E593-K595 PolarHBondContact O-N 3.39Å; E593-K595 VanDerWaalsContact O-N 3.08Å
596	K	67.8	Low	79.2	Confident	140 Å²	140	63.4 Å²	63.4	61%	0.609	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	139.9	179	-66.8	-169.8	177.1	-172.3	0	109.3	E593	E593-K596 PolarHBondContact N-O 3.4Å; E593-K596 PolarHBondContact O-N 3.5Å; E593-K596 VanDerWaalsContact O-N 3.17Å
597	L	71.1	Confident	79.4	Confident	63 Å²	63	60.3 Å²	60.3	33%	0.33	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	142.1	163.6	-77.7	162.9	0	0	0	108	A518 L590 Y591 K592	A518-L597 HydrophobicContact CB-CD1 4.48Å; L590-L597 HydrophobicContact CB-CD2 4.37Å; Y591-L597 WeakPolarHBondContact O-CA 3.24Å; K592-L597 HydrophobicContact CD-CD2 4.44Å; K592-L597 HydrophobicContact CG-CD2 3.47Å; K592-L597 VanDerWaalsContact CG-CD2 3.47Å; K592-L597 HydrophobicContact CG-CG 4.37Å
598	K	75.8	Confident	79.5	Confident	85 Å²	85	59.7 Å²	59.7	37%	0.37	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	149.6	175.4	-76.6	-173.5	174.5	179.2	0	110.4	L590 Y591 E593	L590-K598 CarbonylContact C-O 3.58Å; L590-K598 WeakPolarHBondContact CA-O 3.44Å; Y591-K598 HydrophobicContact CD1-CB 4.17Å; Y591-K598 WeakPolarHBondContact CD1-O 3.45Å; Y591-K598 HydrophobicContact CE1-CB 3.62Å; Y591-K598 PolarHBondContact N-O 3.32Å; Y591-K598 PolarHBondContact O-N 3.49Å; E593-K598 HydrophobicContact CB-CD 4.48Å; E593-K598 WeakPolarHBondContact OE2-CD 3.46Å; E593-K598 VanDerWaalsContact OE2-CE 3.23Å; E593-K598 WeakPolarHBondContact OE2-CE 3.35Å; E593-K598 IonicContact OE2-NZ 2.61Å; E593-K598 PolarHBondContact OE2-NZ 2.99Å
599	P	78.1	Confident	79.5	Confident	47 Å²	47	56.2 Å²	56.2	31%	0.305	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	139.1	167.9	30.5	-31.6	0	0	0	109.3	M509 F514 L590 Y591	M509-P599 HydrophobicContact SD-CB 4.27Å; F514-P599 HydrophobicContact CE1-CB 4.11Å; F514-P599 HydrophobicContact CE1-CG 3.8Å; F514-P599 HydrophobicContact CZ-CB 4.03Å; F514-P599 HydrophobicContact CZ-CG 3.88Å; L590-P599 HydrophobicContact CD2-CB 4.42Å; Y591-P599 VanDerWaalsContact CE1-O 3.29Å; Y591-P599 WeakPolarHBondContact CE1-O 3.47Å
600	K	82.1	Confident	79.5	Confident	12 Å²	12	56.6 Å²	56.6	5%	0.052	29%	0.294	C	S	.	.			trans	-64.6	153.3	167.3	-64	178	-174.5	170.1	0	108.6	R588 P589 Y591 Y603 Q955 M957	R588-K600 WeakPolarHBondContact O-CD 2.81Å; R588-K600 WeakPolarHBondContact O-CE 3.39Å; R588-K600 PolarHBondContact O-NZ 2.94Å; P589-K600 PolarHBondContact O-N 3.12Å; Y591-K600 HydrophobicContact CD1-CB 4.45Å; Y591-K600 HydrophobicContact CD1-CG 3.85Å; Y591-K600 HydrophobicContact CG-CG 4.43Å; K600-Y603 WeakPolarHBondContact O-CD1 3.36Å; K600-Q955 WeakPolarHBondContact CE-O 3.19Å; K600-Q955 PolarHBondContact NZ-O 3Å; K600-M957 HydrophobicContact CB-SD 4.36Å; K600-M957 HydrophobicContact CD-CG 4.41Å; K600-M957 HydrophobicContact CD-SD 4.29Å; K600-M957 HydrophobicContact CG-CG 4.29Å; K600-M957 HydrophobicContact CG-SD 3.98Å
601	P	78.9	Confident	79.6	Confident	68 Å²	68	55.1 Å²	55.1	44%	0.442	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-53.5	176.7	-27.8	36.1	0	0	0	113.6	L369 Y603 P1022	L369-P601 VanDerWaalsContact CD2-C 3.48Å; L369-P601 WeakPolarHBondContact CD2-O 3.48Å; P601-Y603 PolarHBondContact O-N 3.07Å; P601-P1022 HydrophobicContact CB-CG 4.24Å; P601-P1022 HydrophobicContact CG-CG 4Å
602	N	79.1	Confident	79.5	Confident	18 Å²	18	54.5 Å²	54.5	10%	0.096	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	33.9	-170.7	64.6	-24.3	0	0	0	114.2	L369 N604 V606 P1022	L369-N602 HydrophobicContact CD2-CB 4.05Å; N602-N604 VanDerWaalsContact C-N 3.31Å; N602-N604 PolarHBondContact O-N 3.03Å; N602-V606 WeakPolarHBondContact O-CG2 3.44Å; N602-P1022 WeakPolarHBondContact OD1-CG 3.21Å
603	Y	82.6	Confident	79.2	Confident	37 Å²	37	49.6 Å²	49.6	15%	0.145	26%	0.262	C	S	.	.	S	Bend	trans	-71.1	-23.5	-174.9	74.5	-78.3	0	0	0	114.4	Y508 M509 L523 P589 K600 P601	Y508-Y603 WeakPolarHBondContact CA-OH 3.36Å; M509-Y603 HydrophobicContact CB-CE2 4.28Å; M509-Y603 HydrophobicContact CG-CD2 4.24Å; M509-Y603 HydrophobicContact CG-CE2 3.55Å; M509-Y603 PolarHBondContact N-OH 2.82Å; M509-Y603 HydrophobicContact SD-CD2 4.16Å; M509-Y603 HydrophobicContact SD-CE2 3.99Å; L523-Y603 HydrophobicContact CD2-CD2 3.86Å; L523-Y603 HydrophobicContact CD2-CE2 3.82Å; P589-Y603 HydrophobicContact CB-CD2 4.01Å; P589-Y603 HydrophobicContact CB-CG 4.28Å; K600-Y603 WeakPolarHBondContact O-CD1 3.36Å; P601-Y603 PolarHBondContact O-N 3.07Å
604	N	83.7	Confident	78.6	Confident	19 Å²	19	48.9 Å²	48.9	10%	0.102	26%	0.259	C	S	.	.	S	Bend	trans	-87.6	-22.2	-176.9	67.8	-57.5	0	0	0	113	E340 A507 N602	E340-N604 PolarHBondContact OE1-ND2 3.27Å; A507-N604 WeakPolarHBondContact O-CB 3.01Å; N602-N604 VanDerWaalsContact C-N 3.31Å; N602-N604 PolarHBondContact O-N 3.03Å
605	S	84.4	Confident	77.7	Confident	16 Å²	16	50.6 Å²	50.6	11%	0.112	25%	0.249	C	C	.	.	S	Bend	trans	-107.4	22	-174.6	52.6	0	0	0	0	113.3	Y580 D607	Y580-S605 VanDerWaalsContact CD1-O 3.27Å; Y580-S605 WeakPolarHBondContact CD1-O 3.47Å; Y580-S605 WeakPolarHBondContact CE1-O 3.43Å; S605-D607 PolarHBondContact O-N 2.95Å
606	V	88.1	Confident	77.4	Confident	7 Å²	7	43.1 Å²	43.1	4%	0.042	22%	0.222	C	C	.	.			trans	-72.9	117.6	176	-177.7	0	0	0	0	109.6	Y580 I581 L587 N602 E610 V611 Q955	Y580-V606 WeakPolarHBondContact CA-O 3.38Å; I581-V606 HydrophobicContact CD1-CG1 4.39Å; I581-V606 PolarHBondContact N-O 3.03Å; L587-V606 HydrophobicContact CD1-CB 3.89Å; L587-V606 HydrophobicContact CD1-CG1 4.09Å; L587-V606 HydrophobicContact CD1-CG2 3.89Å; N602-V606 WeakPolarHBondContact O-CG2 3.44Å; V606-E610 HydrophobicContact CG1-CB 4.4Å; V606-V611 HydrophobicContact CG1-CG2 3.74Å; V606-Q955 HydrophobicContact CG1-CG 4.29Å
607	D	88.7	Confident	77.3	Confident	6 Å²	6	45 Å²	45	3%	0.032	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-80	149.4	-179.5	-166	-51.9	0	0	0	111.9	S605 S609 E610 R621 K1102	S605-D607 PolarHBondContact O-N 2.95Å; D607-S609 PolarHBondContact O-N 3.49Å; D607-S609 VanDerWaalsContact O-N 3.17Å; D607-S609 PolarHBondContact OD1-N 2.86Å; D607-S609 PolarHBondContact OD1-OG 3.02Å; D607-E610 HydrophobicContact CB-CG 4.35Å; D607-E610 WeakPolarHBondContact O-CB 3.36Å; D607-E610 PolarHBondContact O-N 3.32Å; D607-R621 VanDerWaalsContact CG-NE 3.26Å; D607-R621 WeakPolarHBondContact OD1-CD 3.26Å; D607-R621 IonicContact OD1-CZ 2.76Å; D607-R621 IonicContact OD1-NE 3.77Å; D607-R621 PolarHBondContact OD1-NE 2.8Å; D607-R621 IonicContact OD1-NH2 3.75Å; D607-R621 IonicContact OD2-CZ 3.42Å; D607-R621 VanDerWaalsContact OD2-CZ 3.3Å; D607-R621 IonicContact OD2-NE 3.88Å; D607-R621 PolarHBondContact OD2-NE 3.49Å; D607-R621 IonicContact OD2-NH2 2.8Å; D607-R621 PolarHBondContact OD2-NH2 2.87Å; D607-K1102 IonicContact OD1-NZ 2.8Å; D607-K1102 WeakPolarHBondContact OD2-CD 3.28Å; D607-K1102 IonicContact OD2-NZ 3.71Å; D607-K1102 PolarHBondContact OD2-NZ 3.37Å
608	L	89.1	Confident	77.6	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-47.4	-41.3	170.9	-174.2	63.2	0	0	0	112.6	F573 I575 G579 E610 V611 E612 L620 R621 M624	F573-L608 HydrophobicContact CD2-CD1 3.99Å; F573-L608 HydrophobicContact CE2-CD1 3.59Å; F573-L608 HydrophobicContact CE2-CD2 4.11Å; F573-L608 HydrophobicContact CZ-CD1 4.24Å; I575-L608 HydrophobicContact CG2-CB 4.49Å; I575-L608 HydrophobicContact CG2-CD1 4.39Å; I575-L608 HydrophobicContact CG2-CD2 4.44Å; G579-L608 PolarHBondContact O-N 3.5Å; G579-L608 VanDerWaalsContact O-N 3.13Å; L608-E610 PolarHBondContact O-N 2.92Å; L608-V611 PolarHBondContact O-N 2.96Å; L608-V611 VanDerWaalsContact O-N 3.15Å; L608-E612 HydrophobicContact CD1-CB 4.12Å; L608-E612 HydrophobicContact CD1-CG 3.75Å; L608-E612 HydrophobicContact CG-CB 4.39Å; L608-E612 PolarHBondContact O-N 3.3Å; L608-L620 HydrophobicContact CD2-CD2 4.26Å; L608-L620 HydrophobicContact CD2-CG 4.3Å; L608-R621 HydrophobicContact CB-CG 4.46Å; L608-R621 HydrophobicContact CD2-CB 4.25Å; L608-M624 HydrophobicContact CD2-SD 4.34Å
609	S	85.5	Confident	78.1	Confident	32 Å²	32	46.8 Å²	46.8	22%	0.224	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-21.1	-179.4	67.4	0	0	0	0	114.7	D607 V611 K1102	D607-S609 PolarHBondContact O-N 3.49Å; D607-S609 VanDerWaalsContact O-N 3.17Å; D607-S609 PolarHBondContact OD1-N 2.86Å; D607-S609 PolarHBondContact OD1-OG 3.02Å; S609-V611 VanDerWaalsContact C-N 3.35Å; S609-K1102 PolarHBondContact OG-NZ 3.47Å
610	E	83.3	Confident	78.7	Confident	30 Å²	30	44.8 Å²	44.8	14%	0.14	23%	0.226	C	C	.	.	H	α-helix	trans	-85.6	-13.5	-178.7	-63.3	-174	169.7	0	0	112.4	V606 D607 L608 W613 Y954 R1097	V606-E610 HydrophobicContact CG1-CB 4.4Å; D607-E610 HydrophobicContact CB-CG 4.35Å; D607-E610 WeakPolarHBondContact O-CB 3.36Å; D607-E610 PolarHBondContact O-N 3.32Å; L608-E610 PolarHBondContact O-N 2.92Å; E610-W613 PolarHBondContact O-NE1 3.24Å; E610-Y954 HydrophobicContact CB-CD2 4.27Å; E610-Y954 HydrophobicContact CB-CG 4.21Å; E610-Y954 HydrophobicContact CG-CG 4.38Å; E610-Y954 WeakPolarHBondContact O-CD2 2.89Å; E610-R1097 IonicContact OE1-NH2 3.15Å; E610-R1097 PolarHBondContact OE1-NH2 2.91Å
611	V	84.1	Confident	79.1	Confident	16 Å²	16	44.6 Å²	44.6	10%	0.097	22%	0.224	C	C	.	.	H	α-helix	trans	-116.1	-45.2	-175.6	-169.7	0	0	0	0	111.3	I581 H584 E586 V606 L608 S609	I581-V611 HydrophobicContact CD1-CB 3.79Å; I581-V611 HydrophobicContact CD1-CG1 4.43Å; I581-V611 HydrophobicContact CD1-CG2 3.38Å; H584-V611 VanDerWaalsContact CE1-CG1 3.48Å; H584-V611 WeakPolarHBondContact CE1-CG1 3.38Å; H584-V611 VanDerWaalsContact ND1-CG1 3.32Å; H584-V611 WeakPolarHBondContact ND1-CG1 3.4Å; E586-V611 HydrophobicContact CB-CG1 3.63Å; V606-V611 HydrophobicContact CG1-CG2 3.74Å; L608-V611 PolarHBondContact O-N 2.96Å; L608-V611 VanDerWaalsContact O-N 3.15Å; S609-V611 VanDerWaalsContact C-N 3.35Å
612	E	79.6	Confident	79.7	Confident	20 Å²	20	42.9 Å²	42.9	9%	0.093	21%	0.213	C	C	.	.	S	Bend	trans	-96.7	99.6	175.5	-69.1	-64.6	133.7	0	0	109.7	Y571 H584 L608 E614 Y653	Y571-E612 PolarHBondContact OH-OE1 3.03Å; Y571-E612 PolarHBondContact OH-OE2 2.92Å; Y571-E612 VanDerWaalsContact OH-OE2 3.04Å; H584-E612 IonicContact CE1-OE1 3.62Å; H584-E612 PolarHBondContact CE1-OE1 3.1Å; H584-E612 IonicContact NE2-OE1 2.69Å; H584-E612 PolarHBondContact NE2-OE1 2.93Å; L608-E612 HydrophobicContact CD1-CB 4.12Å; L608-E612 HydrophobicContact CD1-CG 3.75Å; L608-E612 HydrophobicContact CG-CB 4.39Å; L608-E612 PolarHBondContact O-N 3.3Å; E612-E614 PolarHBondContact O-N 3.37Å; E612-Y653 PolarHBondContact OE2-OH 3.16Å
613	W	68.3	Low	80.3	Confident	65 Å²	65	42.4 Å²	42.4	25%	0.246	21%	0.211	C	C	.	.			trans	-77.1	91.5	-179.2	-52.9	-39.2	0	0	0	111.4	E610 R637 L951 F952 Y954	E610-W613 PolarHBondContact O-NE1 3.24Å; W613-R637 VanDerWaalsContact CE3-O 3.26Å; W613-R637 WeakPolarHBondContact CZ3-O 3.37Å; W613-L951 HydrophobicContact CE3-CD2 4.4Å; W613-L951 HydrophobicContact CH2-CD2 4.46Å; W613-L951 HydrophobicContact CZ3-CD2 3.78Å; W613-F952 WeakPolarHBondContact CH2-O 3.43Å; W613-F952 WeakPolarHBondContact CZ2-O 3.42Å; W613-Y954 AromaticContact NE1-CD2 3.99Å; W613-Y954 AromaticContact NE1-CE2 3.77Å
614	E	60.4	Low	80.8	Confident	41 Å²	41	40.7 Å²	40.7	19%	0.192	21%	0.205	C	C	.	.			trans	-75.4	123.7	170.7	-156.5	-174.7	144.6	0	0	110.1	E612 T616 K619 L620 L634	E612-E614 PolarHBondContact O-N 3.37Å; E614-T616 WeakPolarHBondContact CB-O 3.31Å; E614-T616 VanDerWaalsContact CD-O 3.28Å; E614-T616 WeakPolarHBondContact CG-O 3.18Å; E614-T616 WeakPolarHBondContact CG-OG1 3.26Å; E614-T616 PolarHBondContact O-N 2.96Å; E614-T616 WeakPolarHBondContact OE1-CB 3.29Å; E614-T616 PolarHBondContact OE1-OG1 2.84Å; E614-K619 WeakPolarHBondContact OE1-CB 3.24Å; E614-K619 PolarHBondContact OE1-N 3.42Å; E614-K619 PolarHBondContact OE2-N 3.25Å; E614-L620 PolarHBondContact OE2-N 3.2Å; E614-L634 HydrophobicContact CG-CD1 3.82Å; E614-L634 HydrophobicContact CG-CD2 3.74Å; E614-L634 HydrophobicContact CG-CG 4.43Å
615	D	55.2	Low	81.2	Confident	116 Å²	116	39.8 Å²	39.8	62%	0.62	20%	0.2	S	C	*	.	S	Bend	trans	-73	-4.9	169.7	-85.7	-33.3	0	0	0	111.7	R637	D615-R637 IonicContact OD1-CZ 3.34Å; D615-R637 IonicContact OD1-NH2 3.4Å; D615-R637 PolarHBondContact OD1-NH2 3.23Å; D615-R637 IonicContact OD2-CZ 2.85Å; D615-R637 IonicContact OD2-NH2 3.96Å; D615-R637 PolarHBondContact OD2-NH2 3.2Å
616	T	59.8	Low	81.6	Confident	63 Å²	63	44.5 Å²	44.5	39%	0.387	22%	0.219	S	C	.	.	S	Bend	trans	-112.5	155.6	174.7	38.7	0	0	0	0	112.8	E614 E618	E614-T616 WeakPolarHBondContact CB-O 3.31Å; E614-T616 VanDerWaalsContact CD-O 3.28Å; E614-T616 WeakPolarHBondContact CG-O 3.18Å; E614-T616 WeakPolarHBondContact CG-OG1 3.26Å; E614-T616 PolarHBondContact O-N 2.96Å; E614-T616 WeakPolarHBondContact OE1-CB 3.29Å; E614-T616 PolarHBondContact OE1-OG1 2.84Å; T616-E618 PolarHBondContact O-N 3.09Å
617	E	66.3	Low	81.7	Confident	179 Å²	179	45.2 Å²	45.2	84%	0.836	23%	0.227	S	C	*	.	S	Bend	trans	-65.1	75.8	-168.5	-60.7	173.3	153.4	0	0	114.8	K619	E617-K619 PolarHBondContact O-N 3.4Å
618	E	77.4	Confident	81.8	Confident	69 Å²	69	49.2 Å²	49.2	32%	0.322	25%	0.246	S	C	.	.	S	Bend	trans	48	35.2	171.8	-59.6	-170.2	174.7	0	0	115.1	T616 R621 T622	T616-E618 PolarHBondContact O-N 3.09Å; E618-R621 HydrophobicContact CB-CB 4.43Å; E618-T622 WeakPolarHBondContact O-CB 3.35Å; E618-T622 PolarHBondContact O-N 3.32Å; E618-T622 PolarHBondContact O-OG1 3.42Å
619	K	86.7	Confident	82.1	Confident	118 Å²	118	52.8 Å²	52.8	51%	0.513	27%	0.268	S	S	.	.	H	α-helix	trans	-72	-41.7	-172.6	-66.7	-177.7	179.2	175.5	0	111.9	E614 E617 T622 A623 M632	E614-K619 WeakPolarHBondContact OE1-CB 3.24Å; E614-K619 PolarHBondContact OE1-N 3.42Å; E614-K619 PolarHBondContact OE2-N 3.25Å; E617-K619 PolarHBondContact O-N 3.4Å; K619-T622 PolarHBondContact O-N 2.95Å; K619-A623 PolarHBondContact O-N 2.9Å; K619-M632 HydrophobicContact CB-CE 4.33Å; K619-M632 HydrophobicContact CB-SD 4.24Å
620	L	89.2	Confident	82.5	Confident	4 Å²	4	52.4 Å²	52.4	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-58.9	-53.2	177.9	-178.4	61.5	0	0	0	110	F573 L608 E614 T622 A623 M624 M632 L634 Y653 Y655	F573-L620 HydrophobicContact CZ-CD2 4.44Å; L608-L620 HydrophobicContact CD2-CD2 4.26Å; L608-L620 HydrophobicContact CD2-CG 4.3Å; E614-L620 PolarHBondContact OE2-N 3.2Å; L620-T622 VanDerWaalsContact C-N 3.32Å; L620-T622 PolarHBondContact O-N 3.31Å; L620-A623 PolarHBondContact O-N 3.19Å; L620-M624 HydrophobicContact CD1-CG 4.3Å; L620-M624 HydrophobicContact CD1-SD 3.94Å; L620-M624 HydrophobicContact CG-SD 4.04Å; L620-M624 WeakPolarHBondContact O-CG 3.31Å; L620-M624 PolarHBondContact O-N 2.69Å; L620-M632 HydrophobicContact CB-CE 3.48Å; L620-M632 VanDerWaalsContact CB-CE 3.48Å; L620-M632 HydrophobicContact CD1-CE 4.17Å; L620-M632 HydrophobicContact CG-CE 4.37Å; L620-L634 HydrophobicContact CD2-CD1 4.32Å; L620-Y653 HydrophobicContact CD1-CD1 4.33Å; L620-Y653 HydrophobicContact CD1-CG 4.33Å; L620-Y653 HydrophobicContact CD2-CD1 3.42Å; L620-Y653 VanDerWaalsContact CD2-CD1 3.42Å; L620-Y653 HydrophobicContact CD2-CE1 3.74Å; L620-Y653 HydrophobicContact CD2-CG 3.99Å; L620-Y655 HydrophobicContact CD1-CD1 3.7Å; L620-Y655 HydrophobicContact CD1-CE1 3.91Å; L620-Y655 HydrophobicContact CD1-CG 4.48Å
621	R	91	Very high	83	Confident	8 Å²	8	54.8 Å²	54.8	3%	0.03	29%	0.286	C	S	.	.	H	α-helix	trans	-54.6	-48.2	179.1	-173	-161.6	176.7	-69.4	-6.1	111.2	N578 D607 L608 E618 V625 V1103	N578-R621 PolarHBondContact O-NH2 2.81Å; D607-R621 VanDerWaalsContact CG-NE 3.26Å; D607-R621 WeakPolarHBondContact OD1-CD 3.26Å; D607-R621 IonicContact OD1-CZ 2.76Å; D607-R621 IonicContact OD1-NE 3.77Å; D607-R621 PolarHBondContact OD1-NE 2.8Å; D607-R621 IonicContact OD1-NH2 3.75Å; D607-R621 IonicContact OD2-CZ 3.42Å; D607-R621 VanDerWaalsContact OD2-CZ 3.3Å; D607-R621 IonicContact OD2-NE 3.88Å; D607-R621 PolarHBondContact OD2-NE 3.49Å; D607-R621 IonicContact OD2-NH2 2.8Å; D607-R621 PolarHBondContact OD2-NH2 2.87Å; L608-R621 HydrophobicContact CB-CG 4.46Å; L608-R621 HydrophobicContact CD2-CB 4.25Å; E618-R621 HydrophobicContact CB-CB 4.43Å; R621-V625 HydrophobicContact CG-CG2 4.49Å; R621-V625 VanDerWaalsContact O-CB 3.26Å; R621-V625 WeakPolarHBondContact O-CB 2.96Å; R621-V625 VanDerWaalsContact O-CG2 3.26Å; R621-V625 WeakPolarHBondContact O-CG2 3.4Å; R621-V625 PolarHBondContact O-N 2.7Å; R621-V1103 PolarHBondContact NH1-O 3.2Å
622	T	90.9	Very high	83.3	Confident	32 Å²	32	56.1 Å²	56.1	20%	0.196	29%	0.291	C	S	.	.	H	α-helix	trans	-64.7	-41.4	-178.2	-61.3	0	0	0	0	112.7	E618 K619 L620 K626 V1103	E618-T622 WeakPolarHBondContact O-CB 3.35Å; E618-T622 PolarHBondContact O-N 3.32Å; E618-T622 PolarHBondContact O-OG1 3.42Å; K619-T622 PolarHBondContact O-N 2.95Å; L620-T622 VanDerWaalsContact C-N 3.32Å; L620-T622 PolarHBondContact O-N 3.31Å; T622-K626 HydrophobicContact CG2-CD 4.36Å; T622-K626 VanDerWaalsContact O-CG 3.29Å; T622-K626 WeakPolarHBondContact O-CG 3.15Å; T622-K626 PolarHBondContact O-N 3.47Å; T622-V1103 HydrophobicContact CG2-CB 4.47Å; T622-V1103 HydrophobicContact CG2-CG1 4.32Å; T622-V1103 HydrophobicContact CG2-CG2 4.3Å
623	A	92	Very high	83.7	Confident	8 Å²	8	58 Å²	58	7%	0.066	31%	0.306	C	S	.	.	H	α-helix	trans	-66.8	-47.9	178.6	0	0	0	0	0	111.7	K619 L620 K626 G627 E628 Y655	K619-A623 PolarHBondContact O-N 2.9Å; L620-A623 PolarHBondContact O-N 3.19Å; A623-K626 PolarHBondContact O-N 3.08Å; A623-G627 PolarHBondContact O-N 2.75Å; A623-E628 HydrophobicContact CB-CB 4.4Å; A623-E628 WeakPolarHBondContact O-CB 3.37Å; A623-E628 PolarHBondContact O-N 2.82Å; A623-Y655 HydrophobicContact CB-CE2 3.75Å
624	M	92.9	Very high	84.6	Confident	1 Å²	1	55.7 Å²	55.7	1%	0.005	30%	0.299	C	S	.	.	H	α-helix	trans	-64.1	-42.8	178.7	-64.7	-176.6	70.2	0	0	112.2	F573 I575 L608 L620 K626 G627 Y655 S664	F573-M624 HydrophobicContact CE2-CE 3.67Å; F573-M624 HydrophobicContact CE2-SD 3.83Å; F573-M624 HydrophobicContact CZ-CE 4.04Å; F573-M624 HydrophobicContact CZ-SD 3.89Å; I575-M624 HydrophobicContact CD1-CB 3.42Å; I575-M624 VanDerWaalsContact CD1-CB 3.42Å; I575-M624 HydrophobicContact CD1-CE 4.12Å; I575-M624 HydrophobicContact CD1-CG 4.45Å; I575-M624 HydrophobicContact CD1-SD 4.33Å; I575-M624 HydrophobicContact CG1-CB 4.39Å; I575-M624 HydrophobicContact CG1-CE 4.14Å; L608-M624 HydrophobicContact CD2-SD 4.34Å; L620-M624 HydrophobicContact CD1-CG 4.3Å; L620-M624 HydrophobicContact CD1-SD 3.94Å; L620-M624 HydrophobicContact CG-SD 4.04Å; L620-M624 WeakPolarHBondContact O-CG 3.31Å; L620-M624 PolarHBondContact O-N 2.69Å; M624-K626 VanDerWaalsContact C-N 3.3Å; M624-K626 PolarHBondContact O-N 3.29Å; M624-G627 WeakPolarHBondContact O-CA 3.46Å; M624-G627 PolarHBondContact O-N 2.78Å; M624-Y655 HydrophobicContact CG-CD1 4.34Å; M624-Y655 HydrophobicContact CG-CD2 3.66Å; M624-Y655 HydrophobicContact CG-CE2 4.41Å; M624-Y655 HydrophobicContact CG-CG 3.63Å; M624-Y655 HydrophobicContact SD-CG 4.27Å; M624-S664 PolarHBondContact O-OG 2.91Å
625	V	92.9	Very high	85.8	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.006	31%	0.314	C	S	.	.	H	α-helix	trans	-60.8	-37.4	177.9	158.7	0	0	0	0	112.7	I575 N577 R621 G627 V1103 R1105	I575-V625 HydrophobicContact CD1-CG2 4.23Å; N577-V625 WeakPolarHBondContact O-CG1 3.25Å; R621-V625 HydrophobicContact CG-CG2 4.49Å; R621-V625 VanDerWaalsContact O-CB 3.26Å; R621-V625 WeakPolarHBondContact O-CB 2.96Å; R621-V625 VanDerWaalsContact O-CG2 3.26Å; R621-V625 WeakPolarHBondContact O-CG2 3.4Å; R621-V625 PolarHBondContact O-N 2.7Å; V625-G627 PolarHBondContact O-N 3.16Å; V625-V1103 HydrophobicContact CG1-CG1 4.36Å; V625-R1105 HydrophobicContact CG1-CB 4.43Å; V625-R1105 VanDerWaalsContact O-CB 3.23Å; V625-R1105 WeakPolarHBondContact O-CB 3.5Å
626	K	91.5	Very high	87.1	Confident	115 Å²	115	53.1 Å²	53.1	50%	0.5	29%	0.287	S	S	.	.	H	α-helix	trans	-71.7	-15.2	174.5	-72.4	172.7	-179.9	177.5	0	113.4	T622 A623 M624 E628	T622-K626 HydrophobicContact CG2-CD 4.36Å; T622-K626 VanDerWaalsContact O-CG 3.29Å; T622-K626 WeakPolarHBondContact O-CG 3.15Å; T622-K626 PolarHBondContact O-N 3.47Å; A623-K626 PolarHBondContact O-N 3.08Å; M624-K626 VanDerWaalsContact C-N 3.3Å; M624-K626 PolarHBondContact O-N 3.29Å; K626-E628 HydrophobicContact CB-CG 4.12Å; K626-E628 WeakPolarHBondContact CD-OE1 3.25Å; K626-E628 IonicContact NZ-OE1 3.15Å; K626-E628 PolarHBondContact NZ-OE1 2.83Å
627	G	90.4	Very high	88.1	Confident	22 Å²	22	53.9 Å²	53.9	23%	0.227	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	77.5	33	-173.6	0	0	0	0	0	113.9	A623 M624 V625 V657	A623-G627 PolarHBondContact O-N 2.75Å; M624-G627 WeakPolarHBondContact O-CA 3.46Å; M624-G627 PolarHBondContact O-N 2.78Å; V625-G627 PolarHBondContact O-N 3.16Å; G627-V657 VanDerWaalsContact C-CG2 3.47Å; G627-V657 VanDerWaalsContact O-CG2 3.26Å; G627-V657 WeakPolarHBondContact O-CG2 3.47Å
628	E	92.3	Very high	88.8	Confident	89 Å²	89	46.7 Å²	46.7	42%	0.416	25%	0.252	S	S	.	.			trans	-77.5	141.2	171.1	-62.6	172.3	-164.1	0	0	109.4	A623 K626 Y655	A623-E628 HydrophobicContact CB-CB 4.4Å; A623-E628 WeakPolarHBondContact O-CB 3.37Å; A623-E628 PolarHBondContact O-N 2.82Å; K626-E628 HydrophobicContact CB-CG 4.12Å; K626-E628 WeakPolarHBondContact CD-OE1 3.25Å; K626-E628 IonicContact NZ-OE1 3.15Å; K626-E628 PolarHBondContact NZ-OE1 2.83Å; E628-Y655 WeakPolarHBondContact O-CD2 3.36Å; E628-Y655 VanDerWaalsContact O-CE2 3.24Å; E628-Y655 WeakPolarHBondContact O-CE2 3.03Å
629	T	94.6	Very high	89	Confident	80 Å²	80	44.5 Å²	44.5	49%	0.491	24%	0.244	S	C	.	.			trans	-96.2	129.1	169.9	-59.7	0	0	0	0	109	Y655 T656	T629-Y655 WeakPolarHBondContact CA-O 3.48Å; T629-Y655 WeakPolarHBondContact CG2-O 3.41Å; T629-T656 PolarHBondContact OG1-OG1 2.02Å
630	G	93.1	Very high	88.6	Confident	23 Å²	23	39.1 Å²	39.1	24%	0.237	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.5	-174.8	-175.1	0	0	0	0	0	115.5	Y655	G630-Y655 PolarHBondContact N-O 2.95Å; G630-Y655 WeakPolarHBondContact O-CD1 3.25Å; G630-Y655 PolarHBondContact O-N 3.42Å
631	T	93.6	Very high	87.8	Confident	81 Å²	81	39.7 Å²	39.7	50%	0.497	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	146.1	179.3	64.3	0	0	0	0	111	Y653 F654	T631-Y653 CarbonylContact C-O 3.54Å; T631-Y653 WeakPolarHBondContact CA-O 3.27Å; T631-F654 HydrophobicContact CG2-CD1 3.36Å; T631-F654 HydrophobicContact CG2-CE1 3.73Å; T631-F654 HydrophobicContact CG2-CG 4.22Å
632	M	90.4	Very high	86.9	Confident	43 Å²	43	45.2 Å²	45.2	21%	0.212	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	139	177	-169.7	167.2	64.8	0	0	112.2	K619 L620 L634 Y653	K619-M632 HydrophobicContact CB-CE 4.33Å; K619-M632 HydrophobicContact CB-SD 4.24Å; L620-M632 HydrophobicContact CB-CE 3.48Å; L620-M632 VanDerWaalsContact CB-CE 3.48Å; L620-M632 HydrophobicContact CD1-CE 4.17Å; L620-M632 HydrophobicContact CG-CE 4.37Å; M632-L634 HydrophobicContact CE-CD1 3.89Å; M632-L634 HydrophobicContact CE-CD2 3.87Å; M632-L634 HydrophobicContact CE-CG 3.99Å; M632-L634 HydrophobicContact CG-CD2 4.47Å; M632-L634 HydrophobicContact SD-CD2 4.38Å; M632-Y653 PolarHBondContact N-O 2.8Å; M632-Y653 PolarHBondContact O-N 3.45Å
633	S	89.4	Confident	85.9	Confident	59 Å²	59	44.4 Å²	44.4	41%	0.413	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.7	175.9	-50.3	0	0	0	0	111.2	N651 D652 R671	S633-N651 WeakPolarHBondContact CA-O 3.38Å; S633-D652 WeakPolarHBondContact CB-OD1 3.35Å; S633-D652 PolarHBondContact OG-OD1 2.8Å; S633-R671 PolarHBondContact OG-NH2 3.48Å
634	L	86.7	Confident	85.1	Confident	18 Å²	18	48 Å²	48	9%	0.094	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	146.1	176.3	-62.2	173.6	0	0	0	111.3	E614 L620 M632 V636 N651 Y653	E614-L634 HydrophobicContact CG-CD1 3.82Å; E614-L634 HydrophobicContact CG-CD2 3.74Å; E614-L634 HydrophobicContact CG-CG 4.43Å; L620-L634 HydrophobicContact CD2-CD1 4.32Å; M632-L634 HydrophobicContact CE-CD1 3.89Å; M632-L634 HydrophobicContact CE-CD2 3.87Å; M632-L634 HydrophobicContact CE-CG 3.99Å; M632-L634 HydrophobicContact CG-CD2 4.47Å; M632-L634 HydrophobicContact SD-CD2 4.38Å; L634-V636 HydrophobicContact CB-CG2 3.89Å; L634-N651 PolarHBondContact N-O 3.39Å; L634-N651 PolarHBondContact O-N 3.33Å; L634-Y653 HydrophobicContact CB-CD2 4.3Å; L634-Y653 HydrophobicContact CB-CE2 3.9Å; L634-Y653 HydrophobicContact CD1-CD2 4.02Å; L634-Y653 HydrophobicContact CD1-CE2 3.84Å; L634-Y653 HydrophobicContact CG-CD2 4.23Å; L634-Y653 HydrophobicContact CG-CE2 4.2Å
635	D	85.4	Confident	84.7	Confident	93 Å²	93	48.2 Å²	48.2	50%	0.497	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	111	170.5	-70.2	-44.1	0	0	0	108.5	K650	D635-K650 WeakPolarHBondContact OD1-CD 3.24Å; D635-K650 VanDerWaalsContact OD1-CG 3.26Å; D635-K650 WeakPolarHBondContact OD1-CG 3.03Å; D635-K650 IonicContact OD1-NZ 2.96Å; D635-K650 PolarHBondContact OD1-NZ 2.96Å; D635-K650 IonicContact OD2-NZ 2.65Å; D635-K650 PolarHBondContact OD2-NZ 2.84Å
636	V	82.8	Confident	84.3	Confident	10 Å²	10	48.4 Å²	48.4	6%	0.061	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	144.9	-165.8	-178.2	0	0	0	0	111.1	L634 L649 N651 Y653	L634-V636 HydrophobicContact CB-CG2 3.89Å; V636-L649 PolarHBondContact N-O 2.88Å; V636-L649 PolarHBondContact O-N 3.47Å; V636-N651 HydrophobicContact CG2-CB 4.35Å; V636-Y653 HydrophobicContact CG2-CE2 4.28Å; V636-Y653 WeakPolarHBondContact CG2-OH 3.14Å
637	R	81.4	Confident	83.9	Confident	78 Å²	78	43.9 Å²	43.9	29%	0.294	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	100.6	-178.9	-53	-180	-159.8	146.7	15.2	108.4	W613 D615 F648 L951	W613-R637 VanDerWaalsContact CE3-O 3.26Å; W613-R637 WeakPolarHBondContact CZ3-O 3.37Å; D615-R637 IonicContact OD1-CZ 3.34Å; D615-R637 IonicContact OD1-NH2 3.4Å; D615-R637 PolarHBondContact OD1-NH2 3.23Å; D615-R637 IonicContact OD2-CZ 2.85Å; D615-R637 IonicContact OD2-NH2 3.96Å; D615-R637 PolarHBondContact OD2-NH2 3.2Å; R637-F648 HydrophobicContact CG-CD1 3.92Å; R637-F648 HydrophobicContact CG-CE1 3.81Å; R637-L951 HydrophobicContact CB-CD2 4.44Å
638	S	80.1	Confident	83.6	Confident	29 Å²	29	47 Å²	47	20%	0.203	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	140.2	179.8	-174.3	0	0	0	0	111.2	V646 I647	S638-V646 WeakPolarHBondContact O-CA 3.3Å; S638-I647 PolarHBondContact N-O 2.94Å; S638-I647 PolarHBondContact O-N 2.95Å
639	S	80.7	Confident	83.3	Confident	22 Å²	22	43.5 Å²	43.5	15%	0.154	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	137	176.2	106	0	0	0	0	110.9
640	V	78.4	Confident	83	Confident	5 Å²	5	43.8 Å²	43.8	3%	0.03	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	154.3	179.6	-177.9	0	0	0	0	110.3	K642 R644 R645 I647 V816 R820	V640-K642 VanDerWaalsContact C-N 3.34Å; V640-R644 PolarHBondContact O-N 3.06Å; V640-R645 PolarHBondContact N-O 3.01Å; V640-R645 PolarHBondContact O-N 3.32Å; V640-I647 HydrophobicContact CB-CD1 4.48Å; V640-I647 HydrophobicContact CG2-CD1 3.61Å; V640-I647 HydrophobicContact CG2-CG1 3.92Å; V640-V816 HydrophobicContact CG1-CG1 3.81Å; V640-R820 HydrophobicContact CG1-CG 4.3Å
641	D	73.5	Confident	82.9	Confident	17 Å²	17	42.8 Å²	42.8	9%	0.091	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	45.6	-176	-168.7	18	0	0	0	111.6	R644 R645	D641-R644 HydrophobicContact CB-CB 4.36Å; D641-R644 WeakPolarHBondContact O-CB 3.23Å; D641-R644 WeakPolarHBondContact O-CG 3.43Å; D641-R645 IonicContact OD2-CZ 3.51Å; D641-R645 IonicContact OD2-NH1 2.97Å; D641-R645 PolarHBondContact OD2-NH1 3Å
642	K	71.9	Confident	82.8	Confident	123 Å²	123	40.3 Å²	40.3	54%	0.535	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	60	179.6	-59.9	176.9	177.9	103.7	0	113.2	V640 R644 E806	V640-K642 VanDerWaalsContact C-N 3.34Å; K642-R644 PolarHBondContact O-N 2.96Å; K642-E806 VanDerWaalsContact CE-OE1 3.28Å; K642-E806 WeakPolarHBondContact CE-OE1 3.31Å; K642-E806 IonicContact NZ-OE1 2.76Å; K642-E806 PolarHBondContact NZ-OE1 2.95Å; K642-E806 IonicContact NZ-OE2 2.89Å; K642-E806 PolarHBondContact NZ-OE2 2.83Å
643	G	70.1	Confident	82.9	Confident	15 Å²	15	38.3 Å²	38.3	16%	0.155	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	28.5	177.8	0	0	0	0	0	114.1	Y1027	G643-Y1027 WeakPolarHBondContact CA-OH 3.37Å; G643-Y1027 VanDerWaalsContact O-CD2 3.28Å; G643-Y1027 WeakPolarHBondContact O-CD2 3.05Å; G643-Y1027 WeakPolarHBondContact O-CE2 3.27Å
644	R	75.8	Confident	83.1	Confident	83 Å²	83	37.1 Å²	37.1	31%	0.313	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-42.8	177.4	-76.3	-176.7	164	-147.5	-7.4	113	V640 D641 K642 F915 S1029	V640-R644 PolarHBondContact O-N 3.06Å; D641-R644 HydrophobicContact CB-CB 4.36Å; D641-R644 WeakPolarHBondContact O-CB 3.23Å; D641-R644 WeakPolarHBondContact O-CG 3.43Å; K642-R644 PolarHBondContact O-N 2.96Å; R644-F915 HydrophobicContact CB-CE2 4.29Å; R644-F915 HydrophobicContact CB-CZ 3.83Å; R644-F915 HydrophobicContact CG-CZ 4.2Å; R644-S1029 PolarHBondContact O-OG 2.82Å
645	R	83.2	Confident	83.5	Confident	7 Å²	7	37.3 Å²	37.3	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.7	-177.8	-60.9	-175	172.9	97.6	-0.5	109.7	V640 D641 R820 D911 N913 F915	V640-R645 PolarHBondContact N-O 3.01Å; V640-R645 PolarHBondContact O-N 3.32Å; D641-R645 IonicContact OD2-CZ 3.51Å; D641-R645 IonicContact OD2-NH1 2.97Å; D641-R645 PolarHBondContact OD2-NH1 3Å; R645-R820 VanDerWaalsContact CD-CZ 3.46Å; R645-D911 IonicContact CZ-OD2 3.75Å; R645-D911 VanDerWaalsContact CZ-OD2 3.3Å; R645-D911 IonicContact NE-OD2 3.71Å; R645-D911 PolarHBondContact NE-OD2 2.91Å; R645-D911 IonicContact NH2-OD2 3.93Å; R645-D911 PolarHBondContact NH2-OD2 3.39Å; R645-N913 VanDerWaalsContact CD-OD1 3.28Å; R645-N913 WeakPolarHBondContact CD-OD1 3.25Å; R645-N913 HydrophobicContact CG-CB 3.97Å; R645-N913 WeakPolarHBondContact CG-OD1 3.47Å; R645-F915 HydrophobicContact CG-CE2 4.11Å
646	V	84.3	Confident	84	Confident	5 Å²	5	33.6 Å²	33.6	3%	0.03	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.1	173.4	174.3	0	0	0	0	109.1	S638 F648 V949 L951	S638-V646 WeakPolarHBondContact O-CA 3.3Å; V646-F648 HydrophobicContact CG1-CD2 4.2Å; V646-F648 HydrophobicContact CG1-CE1 4.41Å; V646-F648 HydrophobicContact CG1-CE2 3.86Å; V646-F648 HydrophobicContact CG1-CZ 3.99Å; V646-V949 HydrophobicContact CG2-CB 4.4Å; V646-V949 HydrophobicContact CG2-CG1 4.32Å; V646-L951 HydrophobicContact CG2-CD1 3.63Å; V646-L951 HydrophobicContact CG2-CD2 4.18Å; V646-L951 HydrophobicContact CG2-CG 4.04Å
647	I	83.2	Confident	84.6	Confident	20 Å²	20	34.2 Å²	34.2	10%	0.103	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	138	161.2	-55.9	-175.3	0	0	0	107.6	S638 V640 L649 R820 E823	S638-I647 PolarHBondContact N-O 2.94Å; S638-I647 PolarHBondContact O-N 2.95Å; V640-I647 HydrophobicContact CB-CD1 4.48Å; V640-I647 HydrophobicContact CG2-CD1 3.61Å; V640-I647 HydrophobicContact CG2-CG1 3.92Å; I647-L649 HydrophobicContact CG2-CD2 3.67Å; I647-L649 HydrophobicContact CG2-CG 3.97Å; I647-R820 HydrophobicContact CD1-CG 4.21Å; I647-E823 HydrophobicContact CD1-CG 4.31Å; I647-E823 HydrophobicContact CG2-CG 3.86Å
648	F	84.8	Confident	85.2	Confident	87 Å²	87	30.6 Å²	30.6	38%	0.382	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	118.7	171.3	-66.7	-84.5	0	0	0	108.2	R637 V646 V949 I1031	R637-F648 HydrophobicContact CG-CD1 3.92Å; R637-F648 HydrophobicContact CG-CE1 3.81Å; V646-F648 HydrophobicContact CG1-CD2 4.2Å; V646-F648 HydrophobicContact CG1-CE1 4.41Å; V646-F648 HydrophobicContact CG1-CE2 3.86Å; V646-F648 HydrophobicContact CG1-CZ 3.99Å; F648-V949 HydrophobicContact CZ-CG2 3.95Å; F648-I1031 HydrophobicContact CD2-CD1 4.03Å; F648-I1031 HydrophobicContact CE2-CD1 3.84Å; F648-I1031 HydrophobicContact CE2-CG2 4.15Å
649	L	86.2	Confident	85.8	Confident	15 Å²	15	33.6 Å²	33.6	8%	0.079	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	143.1	-179.8	-62.5	176.3	0	0	0	109.3	H569 V636 I647 E823	H569-L649 HydrophobicContact CB-CD1 4.18Å; V636-L649 PolarHBondContact N-O 2.88Å; V636-L649 PolarHBondContact O-N 3.47Å; I647-L649 HydrophobicContact CG2-CD2 3.67Å; I647-L649 HydrophobicContact CG2-CG 3.97Å; L649-E823 VanDerWaalsContact CD2-OE1 3.3Å; L649-E823 WeakPolarHBondContact CD2-OE1 3.18Å
650	K	88.8	Confident	86.1	Confident	86 Å²	86	39.1 Å²	39.1	37%	0.374	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	107.2	168	-169.5	166.7	-161.4	90.4	0	108.3	D635 R671	D635-K650 WeakPolarHBondContact OD1-CD 3.24Å; D635-K650 VanDerWaalsContact OD1-CG 3.26Å; D635-K650 WeakPolarHBondContact OD1-CG 3.03Å; D635-K650 IonicContact OD1-NZ 2.96Å; D635-K650 PolarHBondContact OD1-NZ 2.96Å; D635-K650 IonicContact OD2-NZ 2.65Å; D635-K650 PolarHBondContact OD2-NZ 2.84Å; K650-R671 PolarHBondContact O-N 3.31Å
651	N	89.8	Confident	86.7	Confident	2 Å²	2	39.6 Å²	39.6	1%	0.011	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	128.9	-168.9	-79.6	-3.8	0	0	0	109.9	S633 L634 V636 Y653 V668 S670	S633-N651 WeakPolarHBondContact CA-O 3.38Å; L634-N651 PolarHBondContact N-O 3.39Å; L634-N651 PolarHBondContact O-N 3.33Å; V636-N651 HydrophobicContact CG2-CB 4.35Å; N651-Y653 HydrophobicContact CB-CD2 4.16Å; N651-Y653 HydrophobicContact CB-CE2 3.41Å; N651-Y653 VanDerWaalsContact CB-CE2 3.41Å; N651-Y653 PolarHBondContact ND2-OH 3.47Å; N651-V668 HydrophobicContact CB-CG1 3.62Å; N651-V668 VanDerWaalsContact CG-CG1 3.49Å; N651-V668 WeakPolarHBondContact ND2-CG1 3.2Å; N651-S670 WeakPolarHBondContact OD1-CB 3.46Å; N651-S670 PolarHBondContact OD1-OG 2.71Å
652	D	91.6	Very high	87.6	Confident	29 Å²	29	40.3 Å²	40.3	16%	0.155	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	116.9	167	-66.2	-49.8	0	0	0	108.6	S633 F654 L669 R671	S633-D652 WeakPolarHBondContact CB-OD1 3.35Å; S633-D652 PolarHBondContact OG-OD1 2.8Å; D652-F654 HydrophobicContact CB-CE2 3.71Å; D652-F654 HydrophobicContact CB-CZ 4.13Å; D652-F654 WeakPolarHBondContact O-CD2 3.46Å; D652-F654 WeakPolarHBondContact O-CE2 3.26Å; D652-L669 PolarHBondContact N-O 2.81Å; D652-L669 PolarHBondContact O-N 3.02Å; D652-R671 IonicContact OD1-CZ 3.46Å; D652-R671 IonicContact OD1-NE 2.72Å; D652-R671 PolarHBondContact OD1-NE 2.84Å; D652-R671 IonicContact OD1-NH2 3.35Å; D652-R671 PolarHBondContact OD1-NH2 2.68Å; D652-R671 VanDerWaalsContact OD2-CG 3.24Å; D652-R671 WeakPolarHBondContact OD2-CG 3.2Å; D652-R671 IonicContact OD2-CZ 2.69Å; D652-R671 IonicContact OD2-NE 2.76Å; D652-R671 PolarHBondContact OD2-NE 3.06Å; D652-R671 IonicContact OD2-NH2 3.48Å; D652-R671 PolarHBondContact OD2-NH2 3.28Å
653	Y	92.4	Very high	88.6	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	132.4	178	-66.7	-105.9	0	0	0	109	F573 E612 L620 T631 M632 L634 V636 N651 I667 V668	F573-Y653 HydrophobicContact CE1-CD1 4.03Å; F573-Y653 HydrophobicContact CE1-CE1 4.18Å; F573-Y653 HydrophobicContact CZ-CD1 4.23Å; F573-Y653 HydrophobicContact CZ-CE1 4.5Å; E612-Y653 PolarHBondContact OE2-OH 3.16Å; L620-Y653 HydrophobicContact CD1-CD1 4.33Å; L620-Y653 HydrophobicContact CD1-CG 4.33Å; L620-Y653 HydrophobicContact CD2-CD1 3.42Å; L620-Y653 VanDerWaalsContact CD2-CD1 3.42Å; L620-Y653 HydrophobicContact CD2-CE1 3.74Å; L620-Y653 HydrophobicContact CD2-CG 3.99Å; T631-Y653 CarbonylContact C-O 3.54Å; T631-Y653 WeakPolarHBondContact CA-O 3.27Å; M632-Y653 PolarHBondContact N-O 2.8Å; M632-Y653 PolarHBondContact O-N 3.45Å; L634-Y653 HydrophobicContact CB-CD2 4.3Å; L634-Y653 HydrophobicContact CB-CE2 3.9Å; L634-Y653 HydrophobicContact CD1-CD2 4.02Å; L634-Y653 HydrophobicContact CD1-CE2 3.84Å; L634-Y653 HydrophobicContact CG-CD2 4.23Å; L634-Y653 HydrophobicContact CG-CE2 4.2Å; V636-Y653 HydrophobicContact CG2-CE2 4.28Å; V636-Y653 WeakPolarHBondContact CG2-OH 3.14Å; N651-Y653 HydrophobicContact CB-CD2 4.16Å; N651-Y653 HydrophobicContact CB-CE2 3.41Å; N651-Y653 VanDerWaalsContact CB-CE2 3.41Å; N651-Y653 PolarHBondContact ND2-OH 3.47Å; Y653-I667 CarbonylContact C-O 3.52Å; Y653-I667 WeakPolarHBondContact CA-O 3.23Å; Y653-V668 HydrophobicContact CD1-CG2 3.59Å; Y653-V668 HydrophobicContact CE1-CB 4.49Å; Y653-V668 HydrophobicContact CE1-CG1 4.28Å; Y653-V668 HydrophobicContact CE1-CG2 3.41Å; Y653-V668 VanDerWaalsContact CE1-CG2 3.41Å; Y653-V668 HydrophobicContact CE2-CG1 4.3Å; Y653-V668 HydrophobicContact CG-CG2 4.36Å
654	F	94.7	Very high	89.8	Confident	33 Å²	33	34 Å²	34	15%	0.145	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.8	174.9	-58.7	-99	0	0	0	106.7	E137 V140 T631 D652 G666 I667 L669	E137-F654 HydrophobicContact CB-CD1 4.22Å; E137-F654 VanDerWaalsContact N-CD1 3.31Å; V140-F654 HydrophobicContact CB-CB 4.25Å; V140-F654 HydrophobicContact CG1-CB 4.12Å; T631-F654 HydrophobicContact CG2-CD1 3.36Å; T631-F654 HydrophobicContact CG2-CE1 3.73Å; T631-F654 HydrophobicContact CG2-CG 4.22Å; D652-F654 HydrophobicContact CB-CE2 3.71Å; D652-F654 HydrophobicContact CB-CZ 4.13Å; D652-F654 WeakPolarHBondContact O-CD2 3.46Å; D652-F654 WeakPolarHBondContact O-CE2 3.26Å; F654-G666 CarbonylContact O-C 3.6Å; F654-I667 PolarHBondContact N-O 2.92Å; F654-I667 PolarHBondContact O-N 2.92Å; F654-L669 HydrophobicContact CD2-CD1 4.31Å; F654-L669 HydrophobicContact CD2-CG 4.33Å; F654-L669 HydrophobicContact CE2-CB 4.17Å; F654-L669 HydrophobicContact CE2-CD1 3.8Å; F654-L669 HydrophobicContact CE2-CG 4.05Å; F654-L669 HydrophobicContact CZ-CD1 4.36Å
655	Y	95	Very high	90.8	Very high	23 Å²	23	30 Å²	30	9%	0.09	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	147.9	-173.6	56.7	-90.9	0	0	0	112.8	L620 A623 M624 E628 T629 G630 L665	L620-Y655 HydrophobicContact CD1-CD1 3.7Å; L620-Y655 HydrophobicContact CD1-CE1 3.91Å; L620-Y655 HydrophobicContact CD1-CG 4.48Å; A623-Y655 HydrophobicContact CB-CE2 3.75Å; M624-Y655 HydrophobicContact CG-CD1 4.34Å; M624-Y655 HydrophobicContact CG-CD2 3.66Å; M624-Y655 HydrophobicContact CG-CE2 4.41Å; M624-Y655 HydrophobicContact CG-CG 3.63Å; M624-Y655 HydrophobicContact SD-CG 4.27Å; E628-Y655 WeakPolarHBondContact O-CD2 3.36Å; E628-Y655 VanDerWaalsContact O-CE2 3.24Å; E628-Y655 WeakPolarHBondContact O-CE2 3.03Å; T629-Y655 WeakPolarHBondContact CA-O 3.48Å; T629-Y655 WeakPolarHBondContact CG2-O 3.41Å; G630-Y655 PolarHBondContact N-O 2.95Å; G630-Y655 WeakPolarHBondContact O-CD1 3.25Å; G630-Y655 PolarHBondContact O-N 3.42Å; Y655-L665 VanDerWaalsContact CA-O 3.24Å; Y655-L665 WeakPolarHBondContact CA-O 3.34Å
656	T	95.8	Very high	91.3	Very high	14 Å²	14	29.8 Å²	29.8	9%	0.086	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	163.6	179.1	-160.2	0	0	0	0	111.3	V140 A144 T629 S664 L665	V140-T656 HydrophobicContact CG1-CG2 4.47Å; V140-T656 HydrophobicContact CG2-CG2 3.9Å; A144-T656 HydrophobicContact CB-CG2 3.55Å; T629-T656 PolarHBondContact OG1-OG1 2.02Å; T656-S664 CarbonylContact O-C 3.6Å; T656-S664 WeakPolarHBondContact O-CA 3.41Å; T656-L665 PolarHBondContact N-O 2.91Å; T656-L665 PolarHBondContact O-N 2.94Å
657	V	95.1	Very high	91.8	Very high	24 Å²	24	29.5 Å²	29.5	15%	0.145	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	148.5	170.8	-178.9	0	0	0	0	110.5	G627	G627-V657 VanDerWaalsContact C-CG2 3.47Å; G627-V657 VanDerWaalsContact O-CG2 3.26Å; G627-V657 WeakPolarHBondContact O-CG2 3.47Å
658	I	94.8	Very high	92.2	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	14%	0.141	C	C	.	.			trans	-95.6	115.6	164.7	-57.3	173.5	0	0	0	106.6	A144 M147 E148 L151 L574 T661 F663 L665	A144-I658 HydrophobicContact CB-CG1 4.24Å; M147-I658 HydrophobicContact CB-CD1 4.07Å; M147-I658 HydrophobicContact SD-CD1 3.94Å; E148-I658 HydrophobicContact CB-CG2 3.96Å; L151-I658 HydrophobicContact CD1-CG2 4.33Å; L574-I658 HydrophobicContact CD2-CD1 3.7Å; I658-T661 HydrophobicContact CG2-CG2 4.27Å; I658-T661 PolarHBondContact O-N 2.71Å; I658-T661 PolarHBondContact O-OG1 3.32Å; I658-F663 HydrophobicContact CD1-CB 4.4Å; I658-F663 PolarHBondContact N-O 2.75Å; I658-L665 HydrophobicContact CD1-CB 4.33Å; I658-L665 HydrophobicContact CG1-CB 4.27Å
659	N	91.3	Very high	92.6	Very high	93 Å²	93	25 Å²	25	50%	0.497	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	162.8	-172.8	-48.8	-69.2	0	0	0	111.2	E148 T661	E148-N659 VanDerWaalsContact OE2-CB 3.28Å; E148-N659 WeakPolarHBondContact OE2-CB 3.31Å; E148-N659 PolarHBondContact OE2-N 3.15Å; E148-N659 PolarHBondContact OE2-ND2 3.41Å; N659-T661 PolarHBondContact O-N 2.69Å
660	E	87.4	Confident	92.7	Very high	138 Å²	138	24.3 Å²	24.3	65%	0.645	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	3.3	-172.7	-51.4	-166.6	167.4	0	0	115.6	M155	M155-E660 HydrophobicContact CE-CB 4.19Å; M155-E660 HydrophobicContact SD-CB 4.44Å
661	T	91.4	Very high	92.5	Very high	15 Å²	15	25.3 Å²	25.3	9%	0.092	12%	0.124	C	C	.	.	S	Bend	trans	-130.3	157.3	-179.9	78	0	0	0	0	112.3	L151 W504 I658 N659 F663	L151-T661 HydrophobicContact CB-CG2 4.31Å; L151-T661 HydrophobicContact CD1-CG2 4.04Å; W504-T661 HydrophobicContact CZ2-CG2 4.36Å; I658-T661 HydrophobicContact CG2-CG2 4.27Å; I658-T661 PolarHBondContact O-N 2.71Å; I658-T661 PolarHBondContact O-OG1 3.32Å; N659-T661 PolarHBondContact O-N 2.69Å; T661-F663 PolarHBondContact O-N 2.64Å; T661-F663 PolarHBondContact OG1-N 3.43Å
662	P	91.2	Very high	91.9	Very high	31 Å²	31	27.4 Å²	27.4	20%	0.201	15%	0.146	C	C	.	.	S	Bend	trans	-75.4	-0	174.1	29.8	-32.6	0	0	0	113.4	W504 N577 R1105	W504-P662 HydrophobicContact CB-CG 3.83Å; W504-P662 VanDerWaalsContact CD1-CD 3.46Å; W504-P662 HydrophobicContact CG-CG 4.35Å; N577-P662 HydrophobicContact CB-CB 4.13Å; N577-P662 PolarHBondContact N-O 3.5Å; P662-R1105 PolarHBondContact O-NH2 3.33Å
663	F	94.2	Very high	91.2	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.009	15%	0.15	C	C	.	.			trans	-89.6	153.2	-167.6	-52.9	-30.2	0	0	0	113.4	L151 W504 T525 I575 T576 L582 I658 T661	L151-F663 HydrophobicContact CD1-CD2 4.27Å; W504-F663 HydrophobicContact CB-CE1 3.98Å; W504-F663 HydrophobicContact CB-CE2 4.37Å; W504-F663 HydrophobicContact CB-CZ 3.62Å; W504-F663 HydrophobicContact CD2-CE2 4.01Å; W504-F663 HydrophobicContact CD2-CZ 4.08Å; W504-F663 AromaticContact CE3-CE2 3.88Å; W504-F663 HydrophobicContact CE3-CE2 3.88Å; W504-F663 AromaticContact CE3-CZ 3.97Å; W504-F663 HydrophobicContact CE3-CZ 3.97Å; W504-F663 HydrophobicContact CG-CE2 4.26Å; W504-F663 AromaticContact CG-CZ 3.99Å; W504-F663 HydrophobicContact CG-CZ 3.99Å; T525-F663 HydrophobicContact CG2-CE2 4.44Å; T525-F663 HydrophobicContact CG2-CZ 4.4Å; I575-F663 WeakPolarHBondContact O-CA 3.14Å; T576-F663 HydrophobicContact CG2-CE1 4.42Å; L582-F663 HydrophobicContact CD1-CB 4.43Å; L582-F663 HydrophobicContact CD1-CD1 3.47Å; L582-F663 VanDerWaalsContact CD1-CD1 3.47Å; L582-F663 HydrophobicContact CD1-CD2 4.02Å; L582-F663 HydrophobicContact CD1-CE1 3.51Å; L582-F663 HydrophobicContact CD1-CE2 4.04Å; L582-F663 HydrophobicContact CD1-CG 3.72Å; L582-F663 HydrophobicContact CD1-CZ 3.77Å; L582-F663 HydrophobicContact CD2-CE1 4.41Å; I658-F663 HydrophobicContact CD1-CB 4.4Å; I658-F663 PolarHBondContact N-O 2.75Å; T661-F663 PolarHBondContact O-N 2.64Å; T661-F663 PolarHBondContact OG1-N 3.43Å
664	S	95.1	Very high	90.3	Very high	3 Å²	3	29.3 Å²	29.3	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	136.5	171	-64.4	0	0	0	0	111	I575 M624 T656	I575-S664 PolarHBondContact N-O 2.86Å; I575-S664 PolarHBondContact O-N 2.89Å; M624-S664 PolarHBondContact O-OG 2.91Å; T656-S664 CarbonylContact O-C 3.6Å; T656-S664 WeakPolarHBondContact O-CA 3.41Å
665	L	95.8	Very high	89.6	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	127.8	179.3	177	64.9	0	0	0	109.5	V140 F143 A144 M147 A572 L574 Y655 T656 I658 I667	V140-L665 HydrophobicContact CG2-CD2 4.03Å; V140-L665 HydrophobicContact CG2-CG 4.08Å; F143-L665 HydrophobicContact CB-CD2 3.74Å; A144-L665 HydrophobicContact CB-CD2 4.18Å; M147-L665 HydrophobicContact CE-CD1 4.08Å; M147-L665 HydrophobicContact SD-CD1 4.07Å; M147-L665 HydrophobicContact SD-CD2 4.16Å; A572-L665 HydrophobicContact CB-CD1 4.25Å; L574-L665 HydrophobicContact CD2-CB 4.12Å; L574-L665 HydrophobicContact CD2-CD1 3.84Å; L574-L665 HydrophobicContact CG-CD1 4.34Å; Y655-L665 VanDerWaalsContact CA-O 3.24Å; Y655-L665 WeakPolarHBondContact CA-O 3.34Å; T656-L665 PolarHBondContact N-O 2.91Å; T656-L665 PolarHBondContact O-N 2.94Å; I658-L665 HydrophobicContact CD1-CB 4.33Å; I658-L665 HydrophobicContact CG1-CB 4.27Å; L665-I667 HydrophobicContact CG-CG1 4.47Å
666	G	94.6	Very high	89.3	Confident	2 Å²	2	33 Å²	33	2%	0.021	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	138.2	167.4	0	0	0	0	0	110.7	A572 F573 F654	A572-G666 CarbonylContact C-O 3.51Å; A572-G666 VanDerWaalsContact CA-O 3.25Å; A572-G666 WeakPolarHBondContact CA-O 3.47Å; F573-G666 PolarHBondContact N-O 3.04Å; F573-G666 PolarHBondContact O-N 2.7Å; F654-G666 CarbonylContact O-C 3.6Å
667	I	94.4	Very high	88.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	137.7	170.6	-66.6	179.9	0	0	0	108.5	L139 V140 F143 L566 Y571 A572 Y653 F654 L665 L669	L139-I667 HydrophobicContact CB-CD1 4.48Å; V140-I667 VanDerWaalsContact CA-CD1 3.49Å; V140-I667 HydrophobicContact CB-CD1 3.75Å; V140-I667 HydrophobicContact CB-CG1 4.26Å; V140-I667 HydrophobicContact CG2-CB 4.41Å; V140-I667 HydrophobicContact CG2-CD1 3.89Å; V140-I667 HydrophobicContact CG2-CG1 3.97Å; F143-I667 HydrophobicContact CD2-CD1 3.41Å; F143-I667 VanDerWaalsContact CD2-CD1 3.41Å; F143-I667 HydrophobicContact CD2-CG1 4.46Å; F143-I667 HydrophobicContact CE2-CD1 3.91Å; F143-I667 HydrophobicContact CG-CD1 4.29Å; L566-I667 HydrophobicContact CD1-CG2 4.31Å; L566-I667 HydrophobicContact CD2-CD1 4.39Å; L566-I667 HydrophobicContact CD2-CG2 3.46Å; L566-I667 VanDerWaalsContact CD2-CG2 3.46Å; L566-I667 HydrophobicContact CG-CG2 4.48Å; Y571-I667 CarbonylContact O-C 3.59Å; Y571-I667 WeakPolarHBondContact O-CA 3.47Å; A572-I667 HydrophobicContact CB-CG1 4.16Å; Y653-I667 CarbonylContact C-O 3.52Å; Y653-I667 WeakPolarHBondContact CA-O 3.23Å; F654-I667 PolarHBondContact N-O 2.92Å; F654-I667 PolarHBondContact O-N 2.92Å; L665-I667 HydrophobicContact CG-CG1 4.47Å; I667-L669 HydrophobicContact CG2-CD2 4.35Å; I667-L669 HydrophobicContact CG2-CG 4.45Å
668	V	92.6	Very high	88.6	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127	178.4	-169.9	0	0	0	0	109.1	G570 Y571 F573 N651 Y653	G570-V668 WeakPolarHBondContact CA-O 3.48Å; Y571-V668 HydrophobicContact CD1-CB 3.98Å; Y571-V668 HydrophobicContact CD1-CG1 4.45Å; Y571-V668 HydrophobicContact CD1-CG2 4.32Å; Y571-V668 HydrophobicContact CD2-CB 4.37Å; Y571-V668 HydrophobicContact CD2-CG2 3.88Å; Y571-V668 HydrophobicContact CE1-CB 3.79Å; Y571-V668 HydrophobicContact CE1-CG1 3.88Å; Y571-V668 HydrophobicContact CE1-CG2 3.97Å; Y571-V668 HydrophobicContact CE2-CB 4.22Å; Y571-V668 HydrophobicContact CE2-CG2 3.51Å; Y571-V668 HydrophobicContact CG-CB 4.25Å; Y571-V668 HydrophobicContact CG-CG2 4.27Å; Y571-V668 PolarHBondContact N-O 3.21Å; Y571-V668 PolarHBondContact O-N 2.96Å; F573-V668 HydrophobicContact CD1-CG2 4.1Å; F573-V668 HydrophobicContact CE1-CG2 3.72Å; N651-V668 HydrophobicContact CB-CG1 3.62Å; N651-V668 VanDerWaalsContact CG-CG1 3.49Å; N651-V668 WeakPolarHBondContact ND2-CG1 3.2Å; Y653-V668 HydrophobicContact CD1-CG2 3.59Å; Y653-V668 HydrophobicContact CE1-CB 4.49Å; Y653-V668 HydrophobicContact CE1-CG1 4.28Å; Y653-V668 HydrophobicContact CE1-CG2 3.41Å; Y653-V668 VanDerWaalsContact CE1-CG2 3.41Å; Y653-V668 HydrophobicContact CE2-CG1 4.3Å; Y653-V668 HydrophobicContact CG-CG2 4.36Å
669	L	91.8	Very high	88.3	Confident	11 Å²	11	34.1 Å²	34.1	6%	0.058	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	124.1	169.4	-58.9	179.9	0	0	0	108.7	V134 L566 D652 F654 I667	V134-L669 HydrophobicContact CG1-CD1 4.06Å; V134-L669 HydrophobicContact CG1-CD2 4.49Å; L566-L669 HydrophobicContact CB-CD2 4.25Å; L566-L669 HydrophobicContact CD2-CD2 4.06Å; L566-L669 VanDerWaalsContact O-CD2 3.26Å; L566-L669 WeakPolarHBondContact O-CD2 3.48Å; D652-L669 PolarHBondContact N-O 2.81Å; D652-L669 PolarHBondContact O-N 3.02Å; F654-L669 HydrophobicContact CD2-CD1 4.31Å; F654-L669 HydrophobicContact CD2-CG 4.33Å; F654-L669 HydrophobicContact CE2-CB 4.17Å; F654-L669 HydrophobicContact CE2-CD1 3.8Å; F654-L669 HydrophobicContact CE2-CG 4.05Å; F654-L669 HydrophobicContact CZ-CD1 4.36Å; I667-L669 HydrophobicContact CG2-CD2 4.35Å; I667-L669 HydrophobicContact CG2-CG 4.45Å
670	S	89	Confident	88.1	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.014	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	131.3	176.8	-53.3	0	0	0	0	110.8	H569 N651 Y673 G674	H569-S670 VanDerWaalsContact CB-OG 3.32Å; H569-S670 WeakPolarHBondContact CB-OG 3.35Å; N651-S670 WeakPolarHBondContact OD1-CB 3.46Å; N651-S670 PolarHBondContact OD1-OG 2.71Å; S670-Y673 CarbonylContact O-C 3.51Å; S670-Y673 PolarHBondContact O-N 3.41Å; S670-Y673 VanDerWaalsContact O-N 3.1Å; S670-G674 PolarHBondContact O-N 3.42Å
671	R	85.3	Confident	88	Confident	107 Å²	107	28.2 Å²	28.2	40%	0.404	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	142.2	-179.4	-67.4	-167.4	-175.1	-172.3	1.2	112	S633 K650 D652 Y673 E675	S633-R671 PolarHBondContact OG-NH2 3.48Å; K650-R671 PolarHBondContact O-N 3.31Å; D652-R671 IonicContact OD1-CZ 3.46Å; D652-R671 IonicContact OD1-NE 2.72Å; D652-R671 PolarHBondContact OD1-NE 2.84Å; D652-R671 IonicContact OD1-NH2 3.35Å; D652-R671 PolarHBondContact OD1-NH2 2.68Å; D652-R671 VanDerWaalsContact OD2-CG 3.24Å; D652-R671 WeakPolarHBondContact OD2-CG 3.2Å; D652-R671 IonicContact OD2-CZ 2.69Å; D652-R671 IonicContact OD2-NE 2.76Å; D652-R671 PolarHBondContact OD2-NE 3.06Å; D652-R671 IonicContact OD2-NH2 3.48Å; D652-R671 PolarHBondContact OD2-NH2 3.28Å; R671-Y673 WeakPolarHBondContact O-CD2 3.17Å; R671-Y673 PolarHBondContact O-N 3.34Å; R671-Y673 VanDerWaalsContact O-N 3.09Å; R671-E675 VanDerWaalsContact CA-OE1 3.26Å; R671-E675 WeakPolarHBondContact CA-OE1 3.35Å; R671-E675 WeakPolarHBondContact CB-OE1 3.28Å
672	G	76.7	Confident	87.9	Confident	45 Å²	45	29.1 Å²	29.1	46%	0.464	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	-17.5	-172.4	0	0	0	0	0	116	E675	G672-E675 PolarHBondContact N-OE1 3.14Å
673	Y	77.8	Confident	87.8	Confident	65 Å²	65	30 Å²	30	26%	0.255	16%	0.161	S	C	.	.	S	Bend	trans	-124.5	24.9	-167.5	-57.6	-57.8	0	0	0	114.4	I568 S670 R671 A822 E823 I860	I568-Y673 PolarHBondContact N-O 3.14Å; S670-Y673 CarbonylContact O-C 3.51Å; S670-Y673 PolarHBondContact O-N 3.41Å; S670-Y673 VanDerWaalsContact O-N 3.1Å; R671-Y673 WeakPolarHBondContact O-CD2 3.17Å; R671-Y673 PolarHBondContact O-N 3.34Å; R671-Y673 VanDerWaalsContact O-N 3.09Å; Y673-A822 HydrophobicContact CD1-CB 4.44Å; Y673-A822 WeakPolarHBondContact CE1-O 3.37Å; Y673-A822 PolarHBondContact OH-O 3.45Å; Y673-A822 VanDerWaalsContact OH-O 3.12Å; Y673-E823 VanDerWaalsContact CD2-OE1 3.26Å; Y673-E823 WeakPolarHBondContact CD2-OE1 3.47Å; Y673-E823 WeakPolarHBondContact CE2-OE1 3.28Å; Y673-I860 HydrophobicContact CD1-CD1 3.64Å; Y673-I860 HydrophobicContact CE1-CD1 3.83Å
674	G	71.8	Confident	87.5	Confident	7 Å²	7	35 Å²	35	7%	0.072	19%	0.188	C	C	.	.	S	Bend	trans	-173.5	-16.1	178.9	0	0	0	0	0	114.3	V134 S670 Y676	V134-G674 WeakPolarHBondContact CB-O 3.35Å; V134-G674 WeakPolarHBondContact CG2-O 3.15Å; S670-G674 PolarHBondContact O-N 3.42Å; G674-Y676 VanDerWaalsContact C-N 3.29Å; G674-Y676 PolarHBondContact O-N 3.45Å
675	E	81.5	Confident	87.1	Confident	72 Å²	72	41.3 Å²	41.3	34%	0.336	22%	0.221	S	C	.	.	S	Bend	trans	-55.5	-36.7	-178.4	-65	173	-162.1	0	0	114.6	E133 V134 R671 G672	E133-E675 WeakPolarHBondContact CA-O 3.49Å; V134-E675 PolarHBondContact N-O 3.47Å; R671-E675 VanDerWaalsContact CA-OE1 3.26Å; R671-E675 WeakPolarHBondContact CA-OE1 3.35Å; R671-E675 WeakPolarHBondContact CB-OE1 3.28Å; G672-E675 PolarHBondContact N-OE1 3.14Å
676	Y	87.8	Confident	86.7	Confident	62 Å²	62	46.7 Å²	46.7	24%	0.243	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	128.8	-178.3	-55.7	-68.6	0	0	0	111.3	E132 E133 G674 K857 A859	E132-Y676 WeakPolarHBondContact O-CA 3.49Å; E133-Y676 HydrophobicContact CB-CD1 4.13Å; E133-Y676 HydrophobicContact CB-CE1 4.13Å; E133-Y676 HydrophobicContact CG-CD1 4.1Å; E133-Y676 HydrophobicContact CG-CE1 3.74Å; G674-Y676 VanDerWaalsContact C-N 3.29Å; G674-Y676 PolarHBondContact O-N 3.45Å; Y676-K857 HydrophobicContact CD1-CB 4.34Å; Y676-K857 HydrophobicContact CD1-CD 3.65Å; Y676-K857 HydrophobicContact CD1-CG 4.12Å; Y676-K857 HydrophobicContact CE1-CB 4.49Å; Y676-K857 HydrophobicContact CE1-CD 3.5Å; Y676-K857 VanDerWaalsContact CE1-CD 3.5Å; Y676-K857 HydrophobicContact CE1-CG 3.85Å; Y676-K857 HydrophobicContact CG-CB 4.34Å; Y676-K857 HydrophobicContact CG-CD 4.47Å; Y676-A859 WeakPolarHBondContact O-CB 3.27Å
677	I	88.1	Confident	86.4	Confident	23 Å²	23	46.6 Å²	46.6	12%	0.118	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	141.3	171.7	-83.2	176.3	0	0	0	107.9	E132 V134 K565 T679	E132-I677 PolarHBondContact N-O 3.21Å; E132-I677 PolarHBondContact O-N 2.79Å; E132-I677 VanDerWaalsContact O-O 3.11Å; V134-I677 HydrophobicContact CG2-CB 3.95Å; V134-I677 HydrophobicContact CG2-CD1 3.57Å; V134-I677 HydrophobicContact CG2-CG1 3.59Å; K565-I677 WeakPolarHBondContact O-CD1 3.28Å; I677-T679 HydrophobicContact CG2-CG2 4.37Å
678	F	89.2	Confident	86.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	141	172.8	73.9	-81.6	0	0	0	110.2	Y122 V129 K130 M131 Q742 F745 R779 V852 A859 A861	Y122-F678 HydrophobicContact CE1-CE2 4.38Å; Y122-F678 HydrophobicContact CE1-CZ 4.44Å; V129-F678 HydrophobicContact CG1-CB 3.62Å; V129-F678 HydrophobicContact CG1-CD2 3.82Å; V129-F678 HydrophobicContact CG1-CG 4.14Å; K130-F678 CarbonylContact O-C 3.43Å; K130-F678 VanDerWaalsContact O-CA 3.22Å; K130-F678 WeakPolarHBondContact O-CA 3.02Å; M131-F678 HydrophobicContact CE-CB 4.38Å; M131-F678 HydrophobicContact SD-CB 3.54Å; M131-F678 VanDerWaalsContact SD-CB 3.54Å; F678-Q742 PolarHBondContact O-OE1 3.44Å; F678-Q742 VanDerWaalsContact O-OE1 3.12Å; F678-F745 HydrophobicContact CD2-CE1 4.47Å; F678-F745 HydrophobicContact CE2-CD1 4.39Å; F678-F745 AromaticContact CE2-CE1 3.95Å; F678-F745 HydrophobicContact CE2-CE1 3.95Å; F678-R779 PolarHBondContact O-NH2 3.17Å; F678-V852 HydrophobicContact CE2-CG2 4.46Å; F678-A859 HydrophobicContact CD1-CB 4.08Å; F678-A861 HydrophobicContact CE1-CB 4.08Å; F678-A861 HydrophobicContact CZ-CB 3.82Å
679	T	87.6	Confident	85.9	Confident	39 Å²	39	54.2 Å²	54.2	24%	0.239	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	127.3	177.7	52.1	0	0	0	0	109.2	K130 E132 I677	K130-T679 PolarHBondContact N-O 3.45Å; K130-T679 PolarHBondContact O-N 3.29Å; E132-T679 PolarHBondContact OE1-OG1 3.04Å; I677-T679 HydrophobicContact CG2-CG2 4.37Å
680	G	86.6	Confident	85.8	Confident	3 Å²	3	55 Å²	55	3%	0.031	29%	0.286	C	S	.	.			trans	-117.7	156.4	177.7	0	0	0	0	0	111.4	F745	G680-F745 VanDerWaalsContact CA-CD2 3.46Å
681	N	86.5	Confident	85.8	Confident	104 Å²	104	55 Å²	55	56%	0.556	29%	0.286	S	S	*	.			trans	-127.2	139.9	178.5	-165.2	36.3	0	0	0	110.7	Q741	N681-Q741 PolarHBondContact OD1-NE2 2.91Å
682	V	87.6	Confident	85.9	Confident	33 Å²	33	54.6 Å²	54.6	20%	0.2	29%	0.29	C	S	.	.			trans	-137	164.6	178.7	-72	0	0	0	0	109.9	L744 F745 V748	V682-L744 HydrophobicContact CG2-CB 3.77Å; V682-F745 HydrophobicContact CG1-CB 4.44Å; V682-F745 HydrophobicContact CG1-CD2 3.98Å; V682-V748 HydrophobicContact CB-CG2 4.44Å; V682-V748 HydrophobicContact CG1-CB 4.21Å; V682-V748 HydrophobicContact CG1-CG1 4.44Å; V682-V748 HydrophobicContact CG1-CG2 4.17Å; V682-V748 HydrophobicContact CG2-CG2 4.49Å
683	S	90.5	Very high	86.2	Confident	49 Å²	49	53.6 Å²	53.6	34%	0.343	28%	0.275	S	S	.	.			trans	-69.5	150.2	168.9	77.3	0	0	0	0	110.7	D685 E686 G687	S683-D685 VanDerWaalsContact C-N 3.31Å; S683-D685 PolarHBondContact O-N 2.92Å; S683-E686 WeakPolarHBondContact CB-OE2 3.36Å; S683-E686 WeakPolarHBondContact OG-CB 3.36Å; S683-E686 WeakPolarHBondContact OG-CG 3.45Å; S683-E686 PolarHBondContact OG-N 3.27Å; S683-E686 PolarHBondContact OG-OE2 3.47Å; S683-G687 PolarHBondContact O-N 3.48Å; S683-G687 VanDerWaalsContact O-N 3.09Å
684	L	87.3	Confident	86.4	Confident	109 Å²	109	56.5 Å²	56.5	57%	0.571	30%	0.302	S	S	*	.	H	α-helix	trans	-66	-35.6	-179.7	-68.4	173.8	0	0	0	111.8	L688 L726 L744	L684-L688 WeakPolarHBondContact O-CB 3.46Å; L684-L688 PolarHBondContact O-N 3.32Å; L684-L726 HydrophobicContact CD2-CD2 4.29Å; L684-L744 HydrophobicContact CD2-CD1 4.01Å
685	D	87.1	Confident	86.9	Confident	135 Å²	135	57 Å²	57	72%	0.722	30%	0.303	S	S	*	.	H	α-helix	trans	-69.9	-44.2	-177.8	-60.3	-48.1	0	0	0	111.9	S683 H689	S683-D685 VanDerWaalsContact C-N 3.31Å; S683-D685 PolarHBondContact O-N 2.92Å; D685-H689 WeakPolarHBondContact O-CB 3.22Å; D685-H689 PolarHBondContact O-N 3.4Å
686	E	86.5	Confident	87.3	Confident	112 Å²	112	54 Å²	54	52%	0.523	29%	0.289	S	S	.	.	H	α-helix	trans	-63.6	-48.4	174.1	-68.2	163.8	146.6	0	0	111	S683 L688 H689 D690 V748	S683-E686 WeakPolarHBondContact CB-OE2 3.36Å; S683-E686 WeakPolarHBondContact OG-CB 3.36Å; S683-E686 WeakPolarHBondContact OG-CG 3.45Å; S683-E686 PolarHBondContact OG-N 3.27Å; S683-E686 PolarHBondContact OG-OE2 3.47Å; E686-L688 PolarHBondContact O-N 2.89Å; E686-H689 PolarHBondContact O-N 2.93Å; E686-D690 PolarHBondContact O-N 3.3Å; E686-D690 VanDerWaalsContact O-N 3.13Å; E686-V748 HydrophobicContact CB-CG2 4.35Å
687	G	87.7	Confident	87.3	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-62.6	-39.7	179.9	0	0	0	0	0	113.3	S683 L691 L744	S683-G687 PolarHBondContact O-N 3.48Å; S683-G687 VanDerWaalsContact O-N 3.09Å; G687-L691 WeakPolarHBondContact O-CB 3.19Å; G687-L691 PolarHBondContact O-N 3.11Å; G687-L691 VanDerWaalsContact O-N 3.11Å; G687-L744 VanDerWaalsContact C-CD2 3.48Å; G687-L744 WeakPolarHBondContact O-CD2 3.39Å
688	L	88.9	Confident	87.3	Confident	28 Å²	28	52.6 Å²	52.6	15%	0.147	29%	0.288	C	S	.	.	H	α-helix	trans	-71.7	-37.7	178.7	-177.6	63.7	0	0	0	112	L684 E686 L691 I692 I723 L726 T727	L684-L688 WeakPolarHBondContact O-CB 3.46Å; L684-L688 PolarHBondContact O-N 3.32Å; E686-L688 PolarHBondContact O-N 2.89Å; L688-L691 PolarHBondContact O-N 2.98Å; L688-I692 HydrophobicContact CD1-CD1 3.87Å; L688-I692 HydrophobicContact CD1-CG1 4.34Å; L688-I692 HydrophobicContact CG-CD1 3.9Å; L688-I692 WeakPolarHBondContact O-CD1 3.28Å; L688-I692 VanDerWaalsContact O-CG1 3.28Å; L688-I692 WeakPolarHBondContact O-CG1 3.24Å; L688-I692 PolarHBondContact O-N 3.47Å; L688-I723 HydrophobicContact CD1-CG1 4.37Å; L688-L726 HydrophobicContact CD1-CB 4.25Å; L688-L726 HydrophobicContact CD1-CD1 4.22Å; L688-T727 HydrophobicContact CD2-CG2 3.68Å
689	H	89.3	Confident	87.2	Confident	132 Å²	132	52.8 Å²	52.8	61%	0.611	29%	0.289	S	S	*	.	H	α-helix	trans	-57.3	-51.6	173.9	176.4	-85	0	0	0	111.1	D685 E686 L691 I692	D685-H689 WeakPolarHBondContact O-CB 3.22Å; D685-H689 PolarHBondContact O-N 3.4Å; E686-H689 PolarHBondContact O-N 2.93Å; H689-L691 VanDerWaalsContact C-N 3.3Å; H689-L691 PolarHBondContact O-N 3.01Å; H689-I692 PolarHBondContact O-N 3.47Å
690	D	89.1	Confident	86.8	Confident	29 Å²	29	56.2 Å²	56.2	16%	0.155	31%	0.307	C	S	.	.	H	α-helix	trans	-78.1	-11.6	-175.3	-68.7	-6.5	0	0	0	114	E686 T693 A747 V748 A751 R784	E686-D690 PolarHBondContact O-N 3.3Å; E686-D690 VanDerWaalsContact O-N 3.13Å; D690-T693 PolarHBondContact O-OG1 3.01Å; D690-A747 HydrophobicContact CB-CB 4.45Å; D690-V748 HydrophobicContact CB-CG2 4.46Å; D690-A751 HydrophobicContact CB-CB 4.18Å; D690-A751 WeakPolarHBondContact OD2-CB 3.45Å; D690-R784 PolarHBondContact O-NH2 3.17Å
691	L	88.2	Confident	86.5	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	32%	0.316	C	S	.	.	H	α-helix	trans	-84.9	-22.3	173.1	-173.8	67.5	0	0	0	112.9	G687 L688 H689 T693 L696 L698 L719 V722 L726 T743 L744	G687-L691 WeakPolarHBondContact O-CB 3.19Å; G687-L691 PolarHBondContact O-N 3.11Å; G687-L691 VanDerWaalsContact O-N 3.11Å; L688-L691 PolarHBondContact O-N 2.98Å; H689-L691 VanDerWaalsContact C-N 3.3Å; H689-L691 PolarHBondContact O-N 3.01Å; L691-T693 VanDerWaalsContact C-N 3.33Å; L691-L696 HydrophobicContact CD1-CD1 4.22Å; L691-L696 HydrophobicContact CD1-CD2 3.78Å; L691-L698 HydrophobicContact CD1-CD1 4.5Å; L691-L698 HydrophobicContact CD1-CD2 4.27Å; L691-L719 HydrophobicContact CD1-CD1 4.23Å; L691-L719 HydrophobicContact CD2-CD1 4.35Å; L691-L719 HydrophobicContact CG-CD1 4.02Å; L691-V722 HydrophobicContact CD2-CG1 4.01Å; L691-L726 HydrophobicContact CD2-CD1 4.2Å; L691-T743 HydrophobicContact CD1-CG2 4.27Å; L691-L744 HydrophobicContact CD2-CD2 4.08Å
692	I	87	Confident	86.5	Confident	97 Å²	97	54.4 Å²	54.4	50%	0.497	29%	0.293	S	S	.	.	S	Bend	trans	-85.9	-5.1	-178.2	-69.4	168.3	0	0	0	111.9	L688 H689 I723	L688-I692 HydrophobicContact CD1-CD1 3.87Å; L688-I692 HydrophobicContact CD1-CG1 4.34Å; L688-I692 HydrophobicContact CG-CD1 3.9Å; L688-I692 WeakPolarHBondContact O-CD1 3.28Å; L688-I692 VanDerWaalsContact O-CG1 3.28Å; L688-I692 WeakPolarHBondContact O-CG1 3.24Å; L688-I692 PolarHBondContact O-N 3.47Å; H689-I692 PolarHBondContact O-N 3.47Å; I692-I723 HydrophobicContact CG1-CD1 4.08Å; I692-I723 HydrophobicContact CG1-CG1 4.38Å
693	T	84.9	Confident	86.5	Confident	24 Å²	24	55 Å²	55	15%	0.147	30%	0.297	C	S	.	.			trans	-64.7	139.7	-179.7	64	0	0	0	0	112.1	D690 L691 D695 L696 R784	D690-T693 PolarHBondContact O-OG1 3.01Å; L691-T693 VanDerWaalsContact C-N 3.33Å; T693-D695 VanDerWaalsContact C-N 3.25Å; T693-D695 WeakPolarHBondContact CB-OD1 3.21Å; T693-D695 PolarHBondContact O-N 3.33Å; T693-D695 PolarHBondContact OG1-OD1 3.03Å; T693-L696 PolarHBondContact O-N 3.03Å; T693-R784 PolarHBondContact OG1-NH1 3.29Å; T693-R784 VanDerWaalsContact OG1-NH1 3.1Å
694	P	81.4	Confident	86.4	Confident	127 Å²	127	52.7 Å²	52.7	83%	0.825	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-5.8	-170.2	31.8	-37.3	0	0	0	114.7	L696	P694-L696 VanDerWaalsContact C-N 3.32Å
695	D	82.4	Confident	86.5	Confident	16 Å²	16	47.5 Å²	47.5	9%	0.086	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.8	174.4	73.1	-48	0	0	0	113.2	T693 R784 F785	T693-D695 VanDerWaalsContact C-N 3.25Å; T693-D695 WeakPolarHBondContact CB-OD1 3.21Å; T693-D695 PolarHBondContact O-N 3.33Å; T693-D695 PolarHBondContact OG1-OD1 3.03Å; D695-R784 VanDerWaalsContact CG-NH1 3.26Å; D695-R784 WeakPolarHBondContact O-CA 3.14Å; D695-R784 IonicContact OD1-NH1 3.91Å; D695-R784 PolarHBondContact OD1-NH1 2.59Å; D695-R784 VanDerWaalsContact OD2-CD 3.32Å; D695-R784 WeakPolarHBondContact OD2-CD 3.12Å; D695-R784 WeakPolarHBondContact OD2-CG 3.35Å; D695-R784 IonicContact OD2-CZ 2.7Å; D695-R784 IonicContact OD2-NE 2.63Å; D695-R784 IonicContact OD2-NH1 2.69Å; D695-R784 PolarHBondContact OD2-NH1 2.68Å; D695-F785 PolarHBondContact O-N 3.13Å
696	L	88.6	Confident	86.3	Confident	9 Å²	9	44.9 Å²	44.9	5%	0.047	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	141	-171.6	-173	153.8	0	0	0	111.9	L691 T693 P694 L698 A747 L782 R784	L691-L696 HydrophobicContact CD1-CD1 4.22Å; L691-L696 HydrophobicContact CD1-CD2 3.78Å; T693-L696 PolarHBondContact O-N 3.03Å; P694-L696 VanDerWaalsContact C-N 3.32Å; L696-L698 HydrophobicContact CD2-CD2 4.17Å; L696-L698 HydrophobicContact CD2-CG 4.35Å; L696-A747 HydrophobicContact CD1-CB 4.35Å; L696-L782 HydrophobicContact CD1-CD1 3.69Å; L696-L782 HydrophobicContact CD1-CD2 4.17Å; L696-L782 HydrophobicContact CD1-CG 3.87Å; L696-L782 HydrophobicContact CD2-CG 4.4Å; L696-L782 HydrophobicContact CG-CD1 4.37Å; L696-L782 HydrophobicContact CG-CD2 4.39Å; L696-L782 HydrophobicContact CG-CG 4.04Å; L696-R784 HydrophobicContact CB-CG 4.35Å; L696-R784 HydrophobicContact CG-CG 4.47Å
697	T	87.9	Confident	85.9	Confident	49 Å²	49	40.5 Å²	40.5	30%	0.301	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	147.1	172.4	51.2	0	0	0	0	110.2	Q783 F785	T697-Q783 PolarHBondContact N-O 3.39Å; T697-Q783 PolarHBondContact O-N 2.86Å; T697-Q783 PolarHBondContact OG1-O 3.03Å; T697-F785 HydrophobicContact CG2-CE1 4.12Å
698	L	89.1	Confident	84.9	Confident	8 Å²	8	42.8 Å²	42.8	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	158.9	172.5	-64.1	-176.9	0	0	0	110.7	L691 L696 N700 Y704 L719 T743 L782	L691-L698 HydrophobicContact CD1-CD1 4.5Å; L691-L698 HydrophobicContact CD1-CD2 4.27Å; L696-L698 HydrophobicContact CD2-CD2 4.17Å; L696-L698 HydrophobicContact CD2-CG 4.35Å; L698-N700 PolarHBondContact O-N 2.84Å; L698-Y704 HydrophobicContact CB-CE2 4.08Å; L698-Y704 HydrophobicContact CD1-CE2 4.45Å; L698-L719 HydrophobicContact CD1-CB 4.26Å; L698-L719 HydrophobicContact CD1-CD1 3.77Å; L698-L719 HydrophobicContact CG-CD1 4.17Å; L698-T743 HydrophobicContact CD2-CG2 3.64Å; L698-L782 HydrophobicContact CD2-CB 4.08Å; L698-L782 HydrophobicContact CD2-CG 4.41Å
699	A	86.6	Confident	83.8	Confident	3 Å²	3	44.9 Å²	44.9	3%	0.025	24%	0.24	C	C	.	.			trans	-66.1	94.4	175.1	0	0	0	0	0	111.2	E701 W702 Y704 G781 F809	A699-E701 PolarHBondContact O-N 2.84Å; A699-W702 HydrophobicContact CB-CB 4.07Å; A699-W702 HydrophobicContact CB-CD2 3.8Å; A699-W702 HydrophobicContact CB-CE3 4.3Å; A699-W702 HydrophobicContact CB-CG 3.68Å; A699-W702 PolarHBondContact O-N 3.18Å; A699-Y704 HydrophobicContact CB-CE2 4.49Å; A699-G781 PolarHBondContact N-O 3.03Å; A699-F809 HydrophobicContact CB-CB 3.62Å; A699-F809 HydrophobicContact CB-CG 4.46Å
700	N	80.1	Confident	82.8	Confident	112 Å²	112	41.5 Å²	41.5	60%	0.599	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-18.7	-176.7	-72.1	-28.4	0	0	0	115.1	L698	L698-N700 PolarHBondContact O-N 2.84Å
701	E	79.8	Confident	81.8	Confident	48 Å²	48	44.1 Å²	44.1	22%	0.224	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-5.2	176.4	-66.1	-172.3	172.9	0	0	113.6	A699 K805 T810 L811	A699-E701 PolarHBondContact O-N 2.84Å; E701-K805 IonicContact OE1-NZ 3.46Å; E701-K805 PolarHBondContact OE1-NZ 3.19Å; E701-T810 VanDerWaalsContact OE2-CA 3.26Å; E701-T810 WeakPolarHBondContact OE2-CA 3.33Å; E701-T810 WeakPolarHBondContact OE2-CB 3.45Å; E701-L811 PolarHBondContact OE2-N 2.91Å
702	W	86.8	Confident	80.9	Confident	20 Å²	20	46.9 Å²	46.9	8%	0.076	27%	0.268	C	S	.	.	S	Bend	trans	-94.7	142.9	176.8	-68.6	13	0	0	0	110.9	A699 Y704 Q718 S780 F809 T810 F814	A699-W702 HydrophobicContact CB-CB 4.07Å; A699-W702 HydrophobicContact CB-CD2 3.8Å; A699-W702 HydrophobicContact CB-CE3 4.3Å; A699-W702 HydrophobicContact CB-CG 3.68Å; A699-W702 PolarHBondContact O-N 3.18Å; W702-Y704 HydrophobicContact CB-CD2 4.39Å; W702-Y704 HydrophobicContact CB-CE2 3.91Å; W702-Y704 PolarHBondContact O-N 2.75Å; W702-Q718 WeakPolarHBondContact O-CG 3.04Å; W702-S780 VanDerWaalsContact CZ3-C 3.41Å; W702-S780 WeakPolarHBondContact CZ3-O 3.26Å; W702-F809 HydrophobicContact CH2-CD1 4.39Å; W702-F809 HydrophobicContact CZ2-CD1 4.13Å; W702-T810 PolarHBondContact NE1-O 3.31Å; W702-F814 HydrophobicContact CH2-CE1 4.19Å; W702-F814 AromaticContact CH2-CZ 3.93Å; W702-F814 HydrophobicContact CH2-CZ 3.93Å; W702-F814 HydrophobicContact CZ2-CE1 4.5Å; W702-F814 HydrophobicContact CZ2-CZ 4.23Å
703	T	86.3	Confident	80.5	Confident	47 Å²	47	43.4 Å²	43.4	29%	0.288	25%	0.249	S	C	.	.			trans	-87	97.4	176.7	-47.3	0	0	0	0	110	E706	T703-E706 HydrophobicContact CG2-CG 4.17Å
704	Y	89.4	Confident	79.8	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.246	C	C	.	.	S	Bend	trans	-84.5	-39.6	167	-61.2	-96.6	0	0	0	110.4	L698 A699 W702 Q718 V722 C735 D736 L739 L740 T743 S780	L698-Y704 HydrophobicContact CB-CE2 4.08Å; L698-Y704 HydrophobicContact CD1-CE2 4.45Å; A699-Y704 HydrophobicContact CB-CE2 4.49Å; W702-Y704 HydrophobicContact CB-CD2 4.39Å; W702-Y704 HydrophobicContact CB-CE2 3.91Å; W702-Y704 PolarHBondContact O-N 2.75Å; Y704-Q718 HydrophobicContact CD2-CB 4.19Å; Y704-V722 HydrophobicContact CG-CG2 4.3Å; Y704-C735 CarbonylContact O-C 3.45Å; Y704-C735 VanDerWaalsContact O-CA 3.24Å; Y704-C735 WeakPolarHBondContact O-CA 3.42Å; Y704-C735 VanDerWaalsContact O-CB 3.31Å; Y704-C735 WeakPolarHBondContact O-CB 3.46Å; Y704-D736 PolarHBondContact O-N 3.1Å; Y704-L739 HydrophobicContact CD1-CD2 3.57Å; Y704-L739 HydrophobicContact CD1-CG 3.69Å; Y704-L739 HydrophobicContact CE1-CD1 4.14Å; Y704-L739 HydrophobicContact CE1-CD2 3.77Å; Y704-L739 HydrophobicContact CE1-CG 3.78Å; Y704-L739 HydrophobicContact CG-CD2 4.13Å; Y704-L740 HydrophobicContact CD1-CD2 4.3Å; Y704-T743 HydrophobicContact CE1-CG2 4.41Å; Y704-S780 PolarHBondContact OH-O 3.08Å
705	C	88.9	Confident	79.4	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-133.5	144.5	172.9	-66.6	0	0	0	0	110.3	I707 Q718 A721 L733 H734 C735	C705-I707 PolarHBondContact O-N 3.08Å; C705-I707 VanDerWaalsContact O-N 3.16Å; C705-Q718 VanDerWaalsContact N-OE1 3.08Å; C705-Q718 PolarHBondContact O-NE2 2.97Å; C705-Q718 PolarHBondContact O-OE1 3.1Å; C705-A721 HydrophobicContact CB-CB 4.04Å; C705-L733 HydrophobicContact CB-CD2 4.1Å; C705-H734 CarbonylContact C-O 3.56Å; C705-H734 WeakPolarHBondContact CA-O 3.28Å; C705-C735 HydrophobicContact CB-CB 4.04Å; C705-C735 WeakPolarHBondContact CB-SG 3.42Å; C705-C735 WeakPolarHBondContact SG-CB 3.48Å; C705-C735 CovalentContact SG-SG 2.04Å; C705-C735 PolarHBondContact SG-SG 3.48Å
706	E	82.8	Confident	79.4	Confident	80 Å²	80	46.3 Å²	46.3	37%	0.374	25%	0.247	S	C	.	.			trans	-76.5	99.7	176.6	-67.7	178.8	179.9	0	0	110.1	T703 I709 H734	T703-E706 HydrophobicContact CG2-CG 4.17Å; E706-I709 HydrophobicContact CB-CD1 4.27Å; E706-I709 VanDerWaalsContact OE2-CD1 3.31Å; E706-I709 WeakPolarHBondContact OE2-CD1 3.36Å; E706-H734 HydrophobicContact CB-CB 4.41Å; E706-H734 HydrophobicContact CG-CB 4.44Å; E706-H734 PolarHBondContact N-O 3Å; E706-H734 IonicContact OE1-CD2 3.96Å; E706-H734 IonicContact OE2-CD2 3.26Å
707	I	78.5	Confident	79.2	Confident	19 Å²	19	49 Å²	49	10%	0.097	26%	0.264	C	S	.	.			trans	-98	-14.1	175.9	62.7	174.7	0	0	0	112.8	C705 I709 H713 R714 L716 A721 L733	C705-I707 PolarHBondContact O-N 3.08Å; C705-I707 VanDerWaalsContact O-N 3.16Å; I707-I709 VanDerWaalsContact C-N 3.32Å; I707-I709 PolarHBondContact O-N 3.02Å; I707-H713 HydrophobicContact CB-CB 4.36Å; I707-R714 VanDerWaalsContact O-CG 3.26Å; I707-R714 WeakPolarHBondContact O-CG 3.04Å; I707-R714 PolarHBondContact O-N 2.99Å; I707-L716 WeakPolarHBondContact CD1-O 2.92Å; I707-A721 HydrophobicContact CG2-CB 3.62Å; I707-L733 HydrophobicContact CG2-CD2 4.44Å
708	D	66.3	Low	79.1	Confident	48 Å²	48	47.3 Å²	47.3	26%	0.257	25%	0.252	S	S	.	.	S	Bend	trans	-76	-19.9	-170.5	-62.7	-32.6	0	0	0	112.7	K559 R714	K559-D708 IonicContact NZ-OD2 3.98Å; K559-D708 PolarHBondContact NZ-OD2 2.99Å; D708-R714 PolarHBondContact O-NE 3.14Å; D708-R714 PolarHBondContact O-NH2 3.05Å
709	I	66.7	Low	79.1	Confident	72 Å²	72	49 Å²	49	37%	0.369	26%	0.261	S	S	.	.	S	Bend	trans	-74.9	-51.8	-176.1	-67.9	168	0	0	0	111.9	P259 E706 I707 R714	P259-I709 HydrophobicContact CB-CG2 4.14Å; P259-I709 HydrophobicContact CG-CG2 4.05Å; E706-I709 HydrophobicContact CB-CD1 4.27Å; E706-I709 VanDerWaalsContact OE2-CD1 3.31Å; E706-I709 WeakPolarHBondContact OE2-CD1 3.36Å; I707-I709 VanDerWaalsContact C-N 3.32Å; I707-I709 PolarHBondContact O-N 3.02Å; I709-R714 PolarHBondContact O-NH2 3.01Å
710	D	68.7	Low	79.2	Confident	61 Å²	61	53.2 Å²	53.2	33%	0.326	28%	0.28	S	S	.	.			trans	-98.4	123.6	-172	-175.6	-20.8	0	0	0	111.7	A712 H713 R714	D710-A712 PolarHBondContact O-N 2.64Å; D710-A712 VanDerWaalsContact O-N 3.07Å; D710-A712 WeakPolarHBondContact OD1-CB 3.45Å; D710-A712 PolarHBondContact OD1-N 2.98Å; D710-H713 HydrophobicContact CB-CB 4.16Å; D710-H713 VanDerWaalsContact CB-ND1 3.34Å; D710-H713 WeakPolarHBondContact CB-ND1 3.42Å; D710-H713 PolarHBondContact O-N 3.41Å; D710-H713 IonicContact OD2-CE1 2.67Å; D710-H713 PolarHBondContact OD2-CE1 3.45Å; D710-H713 IonicContact OD2-ND1 2.74Å; D710-H713 PolarHBondContact OD2-ND1 3.36Å; D710-R714 WeakPolarHBondContact O-CG 3.4Å; D710-R714 PolarHBondContact O-N 3.25Å
711	P	67.7	Low	79.6	Confident	84 Å²	84	47.9 Å²	47.9	55%	0.545	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51	-27.4	173.3	-27	35.1	0	0	0	115.9
712	A	70.1	Confident	80.1	Confident	60 Å²	60	45.7 Å²	45.7	50%	0.496	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-40.8	174.2	0	0	0	0	0	112.2	D710	D710-A712 PolarHBondContact O-N 2.64Å; D710-A712 VanDerWaalsContact O-N 3.07Å; D710-A712 WeakPolarHBondContact OD1-CB 3.45Å; D710-A712 PolarHBondContact OD1-N 2.98Å
713	H	76.8	Confident	80.2	Confident	24 Å²	24	46.8 Å²	46.8	11%	0.111	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-77	-28.3	179.7	-59.4	136.7	0	0	0	112.9	I707 D710 K715 L716 E730	I707-H713 HydrophobicContact CB-CB 4.36Å; D710-H713 HydrophobicContact CB-CB 4.16Å; D710-H713 VanDerWaalsContact CB-ND1 3.34Å; D710-H713 WeakPolarHBondContact CB-ND1 3.42Å; D710-H713 PolarHBondContact O-N 3.41Å; D710-H713 IonicContact OD2-CE1 2.67Å; D710-H713 PolarHBondContact OD2-CE1 3.45Å; D710-H713 IonicContact OD2-ND1 2.74Å; D710-H713 PolarHBondContact OD2-ND1 3.36Å; H713-K715 PolarHBondContact O-N 2.71Å; H713-L716 HydrophobicContact CB-CD1 4.43Å; H713-L716 WeakPolarHBondContact O-CB 3.39Å; H713-L716 WeakPolarHBondContact O-CG 3.31Å; H713-L716 PolarHBondContact O-N 3.01Å; H713-E730 IonicContact CD2-OE2 3.28Å; H713-E730 PolarHBondContact CD2-OE2 3.42Å; H713-E730 IonicContact NE2-OE2 3.34Å; H713-E730 PolarHBondContact NE2-OE2 3.1Å
714	R	70.1	Confident	80.3	Confident	21 Å²	21	47 Å²	47	8%	0.079	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-53.6	-17.8	175.2	-74.4	-178.9	-171.2	142.3	14.8	115.2	N209 E210 I707 D708 I709 D710	N209-R714 PolarHBondContact ND2-NH1 2.96Å; N209-R714 PolarHBondContact OD1-NH1 2.97Å; E210-R714 HydrophobicContact CB-CB 4.42Å; E210-R714 HydrophobicContact CG-CB 4.32Å; I707-R714 VanDerWaalsContact O-CG 3.26Å; I707-R714 WeakPolarHBondContact O-CG 3.04Å; I707-R714 PolarHBondContact O-N 2.99Å; D708-R714 PolarHBondContact O-NE 3.14Å; D708-R714 PolarHBondContact O-NH2 3.05Å; I709-R714 PolarHBondContact O-NH2 3.01Å; D710-R714 WeakPolarHBondContact O-CG 3.4Å; D710-R714 PolarHBondContact O-N 3.25Å
715	K	74.3	Confident	80.3	Confident	181 Å²	181	49.5 Å²	49.5	79%	0.787	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-85.4	-7.3	177.3	-65.3	175.1	-175	168.9	0	113.9	H713	H713-K715 PolarHBondContact O-N 2.71Å
716	L	81.3	Confident	80.4	Confident	27 Å²	27	51.3 Å²	51.3	14%	0.141	27%	0.265	C	S	.	.	S	Bend	trans	-92.6	143.8	-175.7	-55.6	175.2	0	0	0	111	I707 H713 Q720 A721 K724	I707-L716 WeakPolarHBondContact CD1-O 2.92Å; H713-L716 HydrophobicContact CB-CD1 4.43Å; H713-L716 WeakPolarHBondContact O-CB 3.39Å; H713-L716 WeakPolarHBondContact O-CG 3.31Å; H713-L716 PolarHBondContact O-N 3.01Å; L716-Q720 HydrophobicContact CB-CB 4.33Å; L716-A721 HydrophobicContact CB-CB 4.45Å; L716-A721 HydrophobicContact CD1-CB 4.46Å; L716-K724 HydrophobicContact CD1-CD 4.01Å
717	T	84.6	Confident	80.6	Confident	65 Å²	65	50.3 Å²	50.3	40%	0.399	26%	0.264	S	S	.	.			trans	-73.6	156.6	162.6	69	0	0	0	0	110.2	L719 Q720 A721	T717-L719 VanDerWaalsContact C-N 3.27Å; T717-L719 PolarHBondContact O-N 3.25Å; T717-Q720 VanDerWaalsContact N-OE1 3.1Å; T717-Q720 WeakPolarHBondContact O-CA 3.29Å; T717-Q720 WeakPolarHBondContact O-CB 3.28Å; T717-Q720 PolarHBondContact O-N 2.94Å; T717-Q720 VanDerWaalsContact OG1-CG 3.31Å; T717-Q720 WeakPolarHBondContact OG1-CG 3.11Å; T717-Q720 PolarHBondContact OG1-N 2.82Å; T717-A721 PolarHBondContact O-N 2.61Å
718	Q	87.2	Confident	80.9	Confident	14 Å²	14	51 Å²	51	7%	0.065	28%	0.276	C	S	.	.	H	α-helix	trans	-52.1	-45.2	176	-77.2	-69.6	-37.2	0	0	111.9	W702 Y704 C705 Q720 A721 V722	W702-Q718 WeakPolarHBondContact O-CG 3.04Å; Y704-Q718 HydrophobicContact CD2-CB 4.19Å; C705-Q718 VanDerWaalsContact N-OE1 3.08Å; C705-Q718 PolarHBondContact O-NE2 2.97Å; C705-Q718 PolarHBondContact O-OE1 3.1Å; Q718-Q720 VanDerWaalsContact C-N 3.35Å; Q718-Q720 PolarHBondContact O-N 2.92Å; Q718-A721 PolarHBondContact O-N 3.24Å; Q718-V722 VanDerWaalsContact O-CG2 3.29Å; Q718-V722 WeakPolarHBondContact O-CG2 3.3Å; Q718-V722 PolarHBondContact O-N 3.15Å
719	L	88.1	Confident	81.7	Confident	42 Å²	42	56.4 Å²	56.4	22%	0.22	30%	0.297	C	S	.	.	H	α-helix	trans	-59.2	-40.8	174.7	179.7	61.9	0	0	0	113	L691 L698 T717 I723	L691-L719 HydrophobicContact CD1-CD1 4.23Å; L691-L719 HydrophobicContact CD2-CD1 4.35Å; L691-L719 HydrophobicContact CG-CD1 4.02Å; L698-L719 HydrophobicContact CD1-CB 4.26Å; L698-L719 HydrophobicContact CD1-CD1 3.77Å; L698-L719 HydrophobicContact CG-CD1 4.17Å; T717-L719 VanDerWaalsContact C-N 3.27Å; T717-L719 PolarHBondContact O-N 3.25Å; L719-I723 HydrophobicContact CD1-CD1 4.01Å; L719-I723 HydrophobicContact CD1-CG1 4.38Å; L719-I723 HydrophobicContact CG-CD1 3.95Å; L719-I723 WeakPolarHBondContact O-CD1 3.39Å; L719-I723 VanDerWaalsContact O-CG1 3.26Å; L719-I723 WeakPolarHBondContact O-CG1 3.49Å; L719-I723 PolarHBondContact O-N 3.48Å
720	Q	88.6	Confident	82.2	Confident	93 Å²	93	55.7 Å²	55.7	44%	0.435	29%	0.293	S	S	.	.	H	α-helix	trans	-67.7	-41.3	177	-72.7	169.4	-12.4	0	0	112.2	L716 T717 Q718 I723 K724	L716-Q720 HydrophobicContact CB-CB 4.33Å; T717-Q720 VanDerWaalsContact N-OE1 3.1Å; T717-Q720 WeakPolarHBondContact O-CA 3.29Å; T717-Q720 WeakPolarHBondContact O-CB 3.28Å; T717-Q720 PolarHBondContact O-N 2.94Å; T717-Q720 VanDerWaalsContact OG1-CG 3.31Å; T717-Q720 WeakPolarHBondContact OG1-CG 3.11Å; T717-Q720 PolarHBondContact OG1-N 2.82Å; Q718-Q720 VanDerWaalsContact C-N 3.35Å; Q718-Q720 PolarHBondContact O-N 2.92Å; Q720-I723 PolarHBondContact O-N 2.79Å; Q720-K724 WeakPolarHBondContact O-CG 3.4Å; Q720-K724 PolarHBondContact O-N 3.12Å
721	A	87.9	Confident	82.5	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-60.5	-46.5	175.5	0	0	0	0	0	111.1	C705 I707 L716 T717 Q718 I723 K724 Y725 L733	C705-A721 HydrophobicContact CB-CB 4.04Å; I707-A721 HydrophobicContact CG2-CB 3.62Å; L716-A721 HydrophobicContact CB-CB 4.45Å; L716-A721 HydrophobicContact CD1-CB 4.46Å; T717-A721 PolarHBondContact O-N 2.61Å; Q718-A721 PolarHBondContact O-N 3.24Å; A721-I723 PolarHBondContact O-N 3.39Å; A721-K724 PolarHBondContact O-N 3.45Å; A721-Y725 WeakPolarHBondContact O-CB 3.21Å; A721-Y725 PolarHBondContact O-N 3.47Å; A721-L733 HydrophobicContact CB-CD2 3.89Å
722	V	90.3	Very high	82.9	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.006	32%	0.324	C	S	.	.	H	α-helix	trans	-59.2	-46.8	174.7	172	0	0	0	0	111.9	L691 Y704 Q718 K724 Y725 L726 L740	L691-V722 HydrophobicContact CD2-CG1 4.01Å; Y704-V722 HydrophobicContact CG-CG2 4.3Å; Q718-V722 VanDerWaalsContact O-CG2 3.29Å; Q718-V722 WeakPolarHBondContact O-CG2 3.3Å; Q718-V722 PolarHBondContact O-N 3.15Å; V722-K724 VanDerWaalsContact C-N 3.34Å; V722-K724 PolarHBondContact O-N 3.46Å; V722-Y725 PolarHBondContact O-N 3.36Å; V722-L726 HydrophobicContact CG1-CD1 3.65Å; V722-L726 HydrophobicContact CG1-CG 4.2Å; V722-L726 WeakPolarHBondContact O-CB 3.02Å; V722-L726 VanDerWaalsContact O-CG 3.27Å; V722-L726 WeakPolarHBondContact O-CG 3.44Å; V722-L726 PolarHBondContact O-N 2.88Å; V722-L740 HydrophobicContact CB-CD2 4.23Å; V722-L740 HydrophobicContact CG1-CD2 3.53Å; V722-L740 HydrophobicContact CG2-CD2 3.64Å
723	I	89.6	Confident	83.5	Confident	44 Å²	44	61.4 Å²	61.4	23%	0.226	30%	0.302	C	S	.	.	H	α-helix	trans	-61.9	-40.8	177.7	-70.2	164.5	0	0	0	111.3	L688 I692 L719 Q720 A721 T727	L688-I723 HydrophobicContact CD1-CG1 4.37Å; I692-I723 HydrophobicContact CG1-CD1 4.08Å; I692-I723 HydrophobicContact CG1-CG1 4.38Å; L719-I723 HydrophobicContact CD1-CD1 4.01Å; L719-I723 HydrophobicContact CD1-CG1 4.38Å; L719-I723 HydrophobicContact CG-CD1 3.95Å; L719-I723 WeakPolarHBondContact O-CD1 3.39Å; L719-I723 VanDerWaalsContact O-CG1 3.26Å; L719-I723 WeakPolarHBondContact O-CG1 3.49Å; L719-I723 PolarHBondContact O-N 3.48Å; Q720-I723 PolarHBondContact O-N 2.79Å; A721-I723 PolarHBondContact O-N 3.39Å; I723-T727 HydrophobicContact CG2-CG2 4.42Å; I723-T727 WeakPolarHBondContact O-CB 3.44Å; I723-T727 VanDerWaalsContact O-CG2 3.32Å; I723-T727 WeakPolarHBondContact O-CG2 3.22Å; I723-T727 PolarHBondContact O-N 2.89Å; I723-T727 PolarHBondContact O-OG1 2.95Å
724	K	89.1	Confident	83.9	Confident	52 Å²	52	66.4 Å²	66.4	23%	0.226	33%	0.325	C	S	.	.	H	α-helix	trans	-66.4	-40.9	177.3	-74.7	-164.9	-170.8	-178.3	0	113	L716 Q720 A721 V722 T727 G728 K729 E730	L716-K724 HydrophobicContact CD1-CD 4.01Å; Q720-K724 WeakPolarHBondContact O-CG 3.4Å; Q720-K724 PolarHBondContact O-N 3.12Å; A721-K724 PolarHBondContact O-N 3.45Å; V722-K724 VanDerWaalsContact C-N 3.34Å; V722-K724 PolarHBondContact O-N 3.46Å; K724-T727 PolarHBondContact O-OG1 2.81Å; K724-G728 PolarHBondContact O-N 3.37Å; K724-K729 PolarHBondContact O-N 3.36Å; K724-K729 VanDerWaalsContact O-N 3.07Å; K724-E730 VanDerWaalsContact CD-CD 3.42Å; K724-E730 HydrophobicContact CD-CG 4.32Å; K724-E730 WeakPolarHBondContact CD-OE2 3.36Å; K724-E730 WeakPolarHBondContact CE-OE2 2.99Å; K724-E730 IonicContact NZ-OE1 2.75Å; K724-E730 PolarHBondContact NZ-OE1 3.11Å; K724-E730 IonicContact NZ-OE2 2.84Å; K724-E730 PolarHBondContact NZ-OE2 3.3Å
725	Y	89.6	Confident	84.8	Confident	52 Å²	52	65.8 Å²	65.8	20%	0.204	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-51.9	175.2	177.1	-100.4	0	0	0	111.1	A721 V722 T727 G728 L733 C735 L740	A721-Y725 WeakPolarHBondContact O-CB 3.21Å; A721-Y725 PolarHBondContact O-N 3.47Å; V722-Y725 PolarHBondContact O-N 3.36Å; Y725-T727 VanDerWaalsContact C-N 3.34Å; Y725-T727 PolarHBondContact O-N 2.03Å; Y725-G728 PolarHBondContact O-N 2.8Å; Y725-L733 HydrophobicContact CD2-CB 4.35Å; Y725-L733 WeakPolarHBondContact CE2-O 3.4Å; Y725-C735 HydrophobicContact CD1-CB 4.23Å; Y725-C735 HydrophobicContact CD2-CB 4.35Å; Y725-C735 VanDerWaalsContact CD2-SG 3.55Å; Y725-C735 HydrophobicContact CE1-CB 4.17Å; Y725-C735 HydrophobicContact CE2-CB 4.27Å; Y725-C735 HydrophobicContact CG-CB 4.33Å; Y725-C735 VanDerWaalsContact CG-SG 3.51Å; Y725-L740 HydrophobicContact CD1-CD1 3.8Å; Y725-L740 HydrophobicContact CE1-CD1 3.81Å
726	L	89.4	Confident	85.5	Confident	38 Å²	38	59.3 Å²	59.3	20%	0.199	30%	0.298	C	S	.	.	H	α-helix	trans	-65.2	-33.9	-179.6	-66.7	175.4	0	0	0	113.1	L684 L688 L691 V722 G728 L744	L684-L726 HydrophobicContact CD2-CD2 4.29Å; L688-L726 HydrophobicContact CD1-CB 4.25Å; L688-L726 HydrophobicContact CD1-CD1 4.22Å; L691-L726 HydrophobicContact CD2-CD1 4.2Å; V722-L726 HydrophobicContact CG1-CD1 3.65Å; V722-L726 HydrophobicContact CG1-CG 4.2Å; V722-L726 WeakPolarHBondContact O-CB 3.02Å; V722-L726 VanDerWaalsContact O-CG 3.27Å; V722-L726 WeakPolarHBondContact O-CG 3.44Å; V722-L726 PolarHBondContact O-N 2.88Å; L726-G728 PolarHBondContact O-N 3.18Å; L726-L744 HydrophobicContact CD1-CD1 4.23Å; L726-L744 HydrophobicContact CD1-CD2 3.86Å; L726-L744 HydrophobicContact CD1-CG 4.47Å; L726-L744 HydrophobicContact CD2-CD1 4.13Å
727	T	87.9	Confident	85.9	Confident	58 Å²	58	67.1 Å²	67.1	36%	0.356	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-1.6	173	54.4	0	0	0	0	113.8	L688 I723 K724 Y725 K729	L688-T727 HydrophobicContact CD2-CG2 3.68Å; I723-T727 HydrophobicContact CG2-CG2 4.42Å; I723-T727 WeakPolarHBondContact O-CB 3.44Å; I723-T727 VanDerWaalsContact O-CG2 3.32Å; I723-T727 WeakPolarHBondContact O-CG2 3.22Å; I723-T727 PolarHBondContact O-N 2.89Å; I723-T727 PolarHBondContact O-OG1 2.95Å; K724-T727 PolarHBondContact O-OG1 2.81Å; Y725-T727 VanDerWaalsContact C-N 3.34Å; Y725-T727 PolarHBondContact O-N 2.03Å; T727-K729 PolarHBondContact O-N 3.46Å
728	G	84.1	Confident	86.1	Confident	34 Å²	34	70.2 Å²	70.2	35%	0.351	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.6	18	178.2	0	0	0	0	0	114.9	K724 Y725 L726	K724-G728 PolarHBondContact O-N 3.37Å; Y725-G728 PolarHBondContact O-N 2.8Å; L726-G728 PolarHBondContact O-N 3.18Å
729	K	82.8	Confident	86.4	Confident	162 Å²	162	69.7 Å²	69.7	70%	0.704	33%	0.334	S	S	*	.	S	Bend	trans	-73.7	-37.6	-179.7	-72.8	178.9	179.3	174.8	0	112.5	K724 T727	K724-K729 PolarHBondContact O-N 3.36Å; K724-K729 VanDerWaalsContact O-N 3.07Å; T727-K729 PolarHBondContact O-N 3.46Å
730	E	78.4	Confident	86.5	Confident	57 Å²	57	68 Å²	68	27%	0.266	33%	0.325	S	S	.	.			trans	-130.1	100.5	175.9	-71.2	167.1	-169.5	0	0	106.4	H713 K724 L733	H713-E730 IonicContact CD2-OE2 3.28Å; H713-E730 PolarHBondContact CD2-OE2 3.42Å; H713-E730 IonicContact NE2-OE2 3.34Å; H713-E730 PolarHBondContact NE2-OE2 3.1Å; K724-E730 VanDerWaalsContact CD-CD 3.42Å; K724-E730 HydrophobicContact CD-CG 4.32Å; K724-E730 WeakPolarHBondContact CD-OE2 3.36Å; K724-E730 WeakPolarHBondContact CE-OE2 2.99Å; K724-E730 IonicContact NZ-OE1 2.75Å; K724-E730 PolarHBondContact NZ-OE1 3.11Å; K724-E730 IonicContact NZ-OE2 2.84Å; K724-E730 PolarHBondContact NZ-OE2 3.3Å; E730-L733 HydrophobicContact CB-CD1 3.37Å; E730-L733 HydrophobicContact CG-CD1 4.45Å
731	K	73.7	Confident	86.6	Confident	162 Å²	162	67.4 Å²	67.4	70%	0.704	32%	0.322	S	S	*	.			trans	-83.6	-14.9	-175.8	-69.6	-175.3	179.7	178.1	0	113.4	L733	K731-L733 VanDerWaalsContact C-N 3.34Å
732	D	76.3	Confident	86.8	Confident	155 Å²	155	67.8 Å²	67.8	83%	0.829	32%	0.324	S	S	*	.			trans	-86.7	-4	-172.7	-49.4	-50.1	0	0	0	112.7	H734	D732-H734 PolarHBondContact O-N 3.36Å
733	L	83.1	Confident	86.9	Confident	8 Å²	8	67.8 Å²	67.8	4%	0.042	32%	0.324	C	S	.	.			trans	-68.2	127	169.2	-77.8	99.2	0	0	0	110.9	C705 I707 A721 Y725 E730 K731	C705-L733 HydrophobicContact CB-CD2 4.1Å; I707-L733 HydrophobicContact CG2-CD2 4.44Å; A721-L733 HydrophobicContact CB-CD2 3.89Å; Y725-L733 HydrophobicContact CD2-CB 4.35Å; Y725-L733 WeakPolarHBondContact CE2-O 3.4Å; E730-L733 HydrophobicContact CB-CD1 3.37Å; E730-L733 HydrophobicContact CG-CD1 4.45Å; K731-L733 VanDerWaalsContact C-N 3.34Å
734	H	84.4	Confident	87.1	Confident	128 Å²	128	66.1 Å²	66.1	59%	0.593	32%	0.315	S	S	*	.			trans	-77.9	127	166.4	-159	71	0	0	0	109.7	C705 E706 D732	C705-H734 CarbonylContact C-O 3.56Å; C705-H734 WeakPolarHBondContact CA-O 3.28Å; E706-H734 HydrophobicContact CB-CB 4.41Å; E706-H734 HydrophobicContact CG-CB 4.44Å; E706-H734 PolarHBondContact N-O 3Å; E706-H734 IonicContact OE1-CD2 3.96Å; E706-H734 IonicContact OE2-CD2 3.26Å; D732-H734 PolarHBondContact O-N 3.36Å
735	C	89.6	Confident	87.2	Confident	8 Å²	8	63.8 Å²	63.8	5%	0.054	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-141.8	144.8	-177.9	-55	0	0	0	0	111.6	Y704 C705 Y725 R737 L740	Y704-C735 CarbonylContact O-C 3.45Å; Y704-C735 VanDerWaalsContact O-CA 3.24Å; Y704-C735 WeakPolarHBondContact O-CA 3.42Å; Y704-C735 VanDerWaalsContact O-CB 3.31Å; Y704-C735 WeakPolarHBondContact O-CB 3.46Å; C705-C735 HydrophobicContact CB-CB 4.04Å; C705-C735 WeakPolarHBondContact CB-SG 3.42Å; C705-C735 WeakPolarHBondContact SG-CB 3.48Å; C705-C735 CovalentContact SG-SG 2.04Å; C705-C735 PolarHBondContact SG-SG 3.48Å; Y725-C735 HydrophobicContact CD1-CB 4.23Å; Y725-C735 HydrophobicContact CD2-CB 4.35Å; Y725-C735 VanDerWaalsContact CD2-SG 3.55Å; Y725-C735 HydrophobicContact CE1-CB 4.17Å; Y725-C735 HydrophobicContact CE2-CB 4.27Å; Y725-C735 HydrophobicContact CG-CB 4.33Å; Y725-C735 VanDerWaalsContact CG-SG 3.51Å; C735-R737 PolarHBondContact O-N 3.35Å; C735-R737 VanDerWaalsContact O-N 3.09Å; C735-L740 HydrophobicContact CB-CD1 3.71Å
736	D	90.1	Very high	87.4	Confident	46 Å²	46	61.3 Å²	61.3	25%	0.246	30%	0.295	C	S	.	.			trans	-72.9	104	178.5	-171.8	-45.3	0	0	0	110.7	Y564 Y704 Q738 L739 L740	Y564-D736 PolarHBondContact OH-OD1 2.77Å; Y564-D736 PolarHBondContact OH-OD2 3.01Å; Y704-D736 PolarHBondContact O-N 3.1Å; D736-Q738 VanDerWaalsContact C-N 3.29Å; D736-Q738 PolarHBondContact O-N 2.72Å; D736-Q738 WeakPolarHBondContact OD1-CA 3.45Å; D736-Q738 WeakPolarHBondContact OD1-CB 3.41Å; D736-Q738 PolarHBondContact OD1-N 3.26Å; D736-L739 HydrophobicContact CB-CB 3.99Å; D736-L739 PolarHBondContact O-N 3.17Å; D736-L739 PolarHBondContact OD1-N 2.86Å; D736-L740 WeakPolarHBondContact O-CB 3.26Å; D736-L740 VanDerWaalsContact O-CG 3.26Å; D736-L740 WeakPolarHBondContact O-CG 3.39Å; D736-L740 PolarHBondContact O-N 3.44Å
737	R	89.4	Confident	87.6	Confident	190 Å²	190	59.5 Å²	59.5	72%	0.717	29%	0.286	S	S	*	.	H	α-helix	trans	-66.3	-29.8	-175.5	-52	-178.4	88.8	162.9	6.5	112.6	C735 Q741	C735-R737 PolarHBondContact O-N 3.35Å; C735-R737 VanDerWaalsContact O-N 3.09Å; R737-Q741 VanDerWaalsContact O-CB 3.27Å; R737-Q741 WeakPolarHBondContact O-CB 3.38Å; R737-Q741 PolarHBondContact O-N 3.21Å
738	Q	89.6	Confident	87.8	Confident	131 Å²	131	58.7 Å²	58.7	61%	0.612	28%	0.28	S	S	*	.	H	α-helix	trans	-74.9	-45.7	178.7	-69.1	-175.7	-31.7	0	0	110.8	D736 Q741 Q742	D736-Q738 VanDerWaalsContact C-N 3.29Å; D736-Q738 PolarHBondContact O-N 2.72Å; D736-Q738 WeakPolarHBondContact OD1-CA 3.45Å; D736-Q738 WeakPolarHBondContact OD1-CB 3.41Å; D736-Q738 PolarHBondContact OD1-N 3.26Å; Q738-Q741 PolarHBondContact O-N 2.9Å; Q738-Q742 PolarHBondContact O-N 3.1Å; Q738-Q742 VanDerWaalsContact O-N 3.08Å
739	L	91.5	Very high	88.2	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-63.1	-42.5	175.9	-179.1	57.5	0	0	0	111.1	Y564 Y704 D736 Q742 T743	Y564-L739 HydrophobicContact CD1-CD1 3.91Å; Y564-L739 HydrophobicContact CD1-CD2 4.14Å; Y564-L739 HydrophobicContact CD1-CG 4.48Å; Y564-L739 HydrophobicContact CD2-CD1 4Å; Y564-L739 HydrophobicContact CE1-CB 4.12Å; Y564-L739 HydrophobicContact CE1-CD1 4.15Å; Y564-L739 HydrophobicContact CE1-CD2 3.95Å; Y564-L739 HydrophobicContact CE1-CG 4.29Å; Y564-L739 HydrophobicContact CE2-CB 4.21Å; Y564-L739 HydrophobicContact CE2-CD1 4.21Å; Y564-L739 HydrophobicContact CG-CD1 3.86Å; Y704-L739 HydrophobicContact CD1-CD2 3.57Å; Y704-L739 HydrophobicContact CD1-CG 3.69Å; Y704-L739 HydrophobicContact CE1-CD1 4.14Å; Y704-L739 HydrophobicContact CE1-CD2 3.77Å; Y704-L739 HydrophobicContact CE1-CG 3.78Å; Y704-L739 HydrophobicContact CG-CD2 4.13Å; D736-L739 HydrophobicContact CB-CB 3.99Å; D736-L739 PolarHBondContact O-N 3.17Å; D736-L739 PolarHBondContact OD1-N 2.86Å; L739-Q742 PolarHBondContact O-N 3.38Å; L739-T743 WeakPolarHBondContact O-CB 3.45Å; L739-T743 PolarHBondContact O-N 3.02Å; L739-T743 PolarHBondContact O-OG1 2.91Å
740	L	92.1	Very high	88.7	Confident	7 Å²	7	49.9 Å²	49.9	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-62.8	-45.8	176	-73.8	-177	0	0	0	112.8	Y704 V722 Y725 C735 D736 Q742 T743 L744	Y704-L740 HydrophobicContact CD1-CD2 4.3Å; V722-L740 HydrophobicContact CB-CD2 4.23Å; V722-L740 HydrophobicContact CG1-CD2 3.53Å; V722-L740 HydrophobicContact CG2-CD2 3.64Å; Y725-L740 HydrophobicContact CD1-CD1 3.8Å; Y725-L740 HydrophobicContact CE1-CD1 3.81Å; C735-L740 HydrophobicContact CB-CD1 3.71Å; D736-L740 WeakPolarHBondContact O-CB 3.26Å; D736-L740 VanDerWaalsContact O-CG 3.26Å; D736-L740 WeakPolarHBondContact O-CG 3.39Å; D736-L740 PolarHBondContact O-N 3.44Å; L740-Q742 VanDerWaalsContact C-N 3.31Å; L740-Q742 PolarHBondContact O-N 2.84Å; L740-T743 PolarHBondContact O-N 2.91Å; L740-T743 VanDerWaalsContact O-N 3.15Å; L740-L744 WeakPolarHBondContact O-CG 3.29Å; L740-L744 PolarHBondContact O-N 3.08Å
741	Q	90.6	Very high	89.4	Confident	80 Å²	80	48 Å²	48	37%	0.374	23%	0.228	S	C	.	.	H	α-helix	trans	-58.7	-44.1	177.2	-175	175.9	24	0	0	111.5	N681 R737 Q738 L744 F745	N681-Q741 PolarHBondContact OD1-NE2 2.91Å; R737-Q741 VanDerWaalsContact O-CB 3.27Å; R737-Q741 WeakPolarHBondContact O-CB 3.38Å; R737-Q741 PolarHBondContact O-N 3.21Å; Q738-Q741 PolarHBondContact O-N 2.9Å; Q741-L744 PolarHBondContact O-N 3.01Å; Q741-F745 PolarHBondContact O-N 3.43Å; Q741-F745 VanDerWaalsContact O-N 3.07Å
742	Q	91	Very high	90.3	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.037	21%	0.208	C	C	.	.	H	α-helix	trans	-65.7	-39.4	175.3	-172.5	63.3	33.9	0	0	112.5	F678 Q738 L739 L740 F745 D746	F678-Q742 PolarHBondContact O-OE1 3.44Å; F678-Q742 VanDerWaalsContact O-OE1 3.12Å; Q738-Q742 PolarHBondContact O-N 3.1Å; Q738-Q742 VanDerWaalsContact O-N 3.08Å; L739-Q742 PolarHBondContact O-N 3.38Å; L740-Q742 VanDerWaalsContact C-N 3.31Å; L740-Q742 PolarHBondContact O-N 2.84Å; Q742-F745 PolarHBondContact O-N 3.42Å; Q742-D746 PolarHBondContact NE2-OD1 2.8Å; Q742-D746 WeakPolarHBondContact O-CB 3.09Å; Q742-D746 VanDerWaalsContact O-CG 3.26Å; Q742-D746 PolarHBondContact O-N 3.1Å
743	T	92.8	Very high	91	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.006	17%	0.169	C	C	.	.	H	α-helix	trans	-63.6	-41.3	179.1	-55.1	0	0	0	0	111.5	L691 L698 Y704 L739 L740 A747 L782	L691-T743 HydrophobicContact CD1-CG2 4.27Å; L698-T743 HydrophobicContact CD2-CG2 3.64Å; Y704-T743 HydrophobicContact CE1-CG2 4.41Å; L739-T743 WeakPolarHBondContact O-CB 3.45Å; L739-T743 PolarHBondContact O-N 3.02Å; L739-T743 PolarHBondContact O-OG1 2.91Å; L740-T743 PolarHBondContact O-N 2.91Å; L740-T743 VanDerWaalsContact O-N 3.15Å; T743-A747 WeakPolarHBondContact O-CB 3.37Å; T743-A747 PolarHBondContact O-N 2.87Å; T743-L782 HydrophobicContact CG2-CD1 4.31Å
744	L	93.1	Very high	91.3	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.042	18%	0.181	C	C	.	.	H	α-helix	trans	-67.1	-41.8	175.8	-66.6	169.5	0	0	0	111.7	V682 L684 G687 L691 L726 L740 Q741 A747 V748	V682-L744 HydrophobicContact CG2-CB 3.77Å; L684-L744 HydrophobicContact CD2-CD1 4.01Å; G687-L744 VanDerWaalsContact C-CD2 3.48Å; G687-L744 WeakPolarHBondContact O-CD2 3.39Å; L691-L744 HydrophobicContact CD2-CD2 4.08Å; L726-L744 HydrophobicContact CD1-CD1 4.23Å; L726-L744 HydrophobicContact CD1-CD2 3.86Å; L726-L744 HydrophobicContact CD1-CG 4.47Å; L726-L744 HydrophobicContact CD2-CD1 4.13Å; L740-L744 WeakPolarHBondContact O-CG 3.29Å; L740-L744 PolarHBondContact O-N 3.08Å; Q741-L744 PolarHBondContact O-N 3.01Å; L744-A747 PolarHBondContact O-N 2.86Å; L744-V748 WeakPolarHBondContact O-CG2 3.16Å; L744-V748 PolarHBondContact O-N 2.77Å
745	F	92.9	Very high	91.5	Very high	4 Å²	4	35 Å²	35	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-61	-48.5	174.2	176.8	-92.1	0	0	0	111.8	Y122 V125 V129 F678 G680 V682 Q741 Q742 A747 V748 V749	Y122-F745 HydrophobicContact CE1-CE1 4.34Å; V125-F745 HydrophobicContact CB-CZ 4.34Å; V125-F745 HydrophobicContact CG2-CZ 3.8Å; V129-F745 HydrophobicContact CG2-CE1 4.2Å; V129-F745 HydrophobicContact CG2-CE2 4.04Å; V129-F745 HydrophobicContact CG2-CZ 3.43Å; V129-F745 VanDerWaalsContact CG2-CZ 3.43Å; F678-F745 HydrophobicContact CD2-CE1 4.47Å; F678-F745 HydrophobicContact CE2-CD1 4.39Å; F678-F745 AromaticContact CE2-CE1 3.95Å; F678-F745 HydrophobicContact CE2-CE1 3.95Å; G680-F745 VanDerWaalsContact CA-CD2 3.46Å; V682-F745 HydrophobicContact CG1-CB 4.44Å; V682-F745 HydrophobicContact CG1-CD2 3.98Å; Q741-F745 PolarHBondContact O-N 3.43Å; Q741-F745 VanDerWaalsContact O-N 3.07Å; Q742-F745 PolarHBondContact O-N 3.42Å; F745-A747 VanDerWaalsContact C-N 3.29Å; F745-A747 PolarHBondContact O-N 2.81Å; F745-V748 PolarHBondContact O-N 3.31Å; F745-V749 HydrophobicContact CD1-CG2 4.23Å; F745-V749 HydrophobicContact CD2-CG2 4.47Å; F745-V749 HydrophobicContact CE1-CG2 3.8Å; F745-V749 HydrophobicContact CE2-CG2 4.07Å; F745-V749 HydrophobicContact CZ-CG2 3.72Å; F745-V749 WeakPolarHBondContact O-CG2 3.47Å; F745-V749 PolarHBondContact O-N 2.84Å
746	D	92.9	Very high	91.6	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.6	-36	177.5	-74.4	-3.9	0	0	0	111.4	Q742 T750 T778 S780 L782	Q742-D746 PolarHBondContact NE2-OD1 2.8Å; Q742-D746 WeakPolarHBondContact O-CB 3.09Å; Q742-D746 VanDerWaalsContact O-CG 3.26Å; Q742-D746 PolarHBondContact O-N 3.1Å; D746-T750 VanDerWaalsContact O-CB 3.29Å; D746-T750 WeakPolarHBondContact O-CB 3.22Å; D746-T750 WeakPolarHBondContact O-CG2 3.45Å; D746-T750 PolarHBondContact O-N 2.87Å; D746-T750 VanDerWaalsContact O-N 3.1Å; D746-T750 PolarHBondContact O-OG1 3.26Å; D746-T778 HydrophobicContact CB-CG2 4.08Å; D746-T778 VanDerWaalsContact OD2-CB 3.22Å; D746-T778 WeakPolarHBondContact OD2-CB 3.15Å; D746-T778 PolarHBondContact OD2-OG1 3.46Å; D746-S780 WeakPolarHBondContact OD2-CB 3.28Å; D746-S780 PolarHBondContact OD2-OG 3.44Å; D746-L782 HydrophobicContact CB-CD1 4.28Å
747	A	93.1	Very high	91.7	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-49.4	176.1	0	0	0	0	0	112.2	D690 L696 T743 L744 F745 T750 A751 L782 R784	D690-A747 HydrophobicContact CB-CB 4.45Å; L696-A747 HydrophobicContact CD1-CB 4.35Å; T743-A747 WeakPolarHBondContact O-CB 3.37Å; T743-A747 PolarHBondContact O-N 2.87Å; L744-A747 PolarHBondContact O-N 2.86Å; F745-A747 VanDerWaalsContact C-N 3.29Å; F745-A747 PolarHBondContact O-N 2.81Å; A747-T750 PolarHBondContact O-N 2.67Å; A747-T750 PolarHBondContact O-OG1 2.76Å; A747-T750 VanDerWaalsContact O-OG1 3.13Å; A747-A751 PolarHBondContact O-N 2.86Å; A747-L782 HydrophobicContact CB-CD1 3.72Å; A747-R784 PolarHBondContact O-NH2 3Å
748	V	93	Very high	91.7	Very high	40 Å²	40	29.4 Å²	29.4	24%	0.242	16%	0.161	C	C	.	.	H	α-helix	trans	-67	-43.7	-179.6	176.4	0	0	0	0	111.8	V682 E686 D690 L744 F745 T750 A751	V682-V748 HydrophobicContact CB-CG2 4.44Å; V682-V748 HydrophobicContact CG1-CB 4.21Å; V682-V748 HydrophobicContact CG1-CG1 4.44Å; V682-V748 HydrophobicContact CG1-CG2 4.17Å; V682-V748 HydrophobicContact CG2-CG2 4.49Å; E686-V748 HydrophobicContact CB-CG2 4.35Å; D690-V748 HydrophobicContact CB-CG2 4.46Å; L744-V748 WeakPolarHBondContact O-CG2 3.16Å; L744-V748 PolarHBondContact O-N 2.77Å; F745-V748 PolarHBondContact O-N 3.31Å; V748-T750 PolarHBondContact O-N 2.89Å; V748-A751 PolarHBondContact O-N 3.04Å
749	V	92.6	Very high	91.7	Very high	12 Å²	12	26.1 Å²	26.1	7%	0.073	16%	0.156	C	C	.	.	H	α-helix	trans	-65.7	-30.1	179.2	177	0	0	0	0	111.7	K121 Y122 V125 F745	K121-V749 HydrophobicContact CB-CG1 4.3Å; Y122-V749 HydrophobicContact CD1-CG1 3.83Å; Y122-V749 HydrophobicContact CD2-CG1 4.12Å; Y122-V749 HydrophobicContact CE1-CB 4.33Å; Y122-V749 HydrophobicContact CE1-CG1 3.66Å; Y122-V749 HydrophobicContact CE2-CG1 3.98Å; Y122-V749 HydrophobicContact CG-CG1 4.05Å; V125-V749 HydrophobicContact CG1-CG2 4.36Å; V125-V749 HydrophobicContact CG2-CG2 4.22Å; F745-V749 HydrophobicContact CD1-CG2 4.23Å; F745-V749 HydrophobicContact CD2-CG2 4.47Å; F745-V749 HydrophobicContact CE1-CG2 3.8Å; F745-V749 HydrophobicContact CE2-CG2 4.07Å; F745-V749 HydrophobicContact CZ-CG2 3.72Å; F745-V749 WeakPolarHBondContact O-CG2 3.47Å; F745-V749 PolarHBondContact O-N 2.84Å
750	T	93.3	Very high	91.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-91.2	-16.9	-179.2	60	0	0	0	0	114.6	L118 D746 A747 V748 P752 M753 L776 T778 R784	L118-T750 HydrophobicContact CD1-CG2 4.14Å; D746-T750 VanDerWaalsContact O-CB 3.29Å; D746-T750 WeakPolarHBondContact O-CB 3.22Å; D746-T750 WeakPolarHBondContact O-CG2 3.45Å; D746-T750 PolarHBondContact O-N 2.87Å; D746-T750 VanDerWaalsContact O-N 3.1Å; D746-T750 PolarHBondContact O-OG1 3.26Å; A747-T750 PolarHBondContact O-N 2.67Å; A747-T750 PolarHBondContact O-OG1 2.76Å; A747-T750 VanDerWaalsContact O-OG1 3.13Å; V748-T750 PolarHBondContact O-N 2.89Å; T750-P752 VanDerWaalsContact C-N 3.34Å; T750-M753 VanDerWaalsContact O-CB 3.22Å; T750-M753 WeakPolarHBondContact O-CB 3.42Å; T750-M753 VanDerWaalsContact O-CG 3.26Å; T750-M753 WeakPolarHBondContact O-CG 3.23Å; T750-M753 PolarHBondContact O-N 3.28Å; T750-L776 HydrophobicContact CG2-CD1 4.03Å; T750-L776 HydrophobicContact CG2-CD2 3.71Å; T750-T778 HydrophobicContact CG2-CG2 3.95Å; T750-R784 PolarHBondContact OG1-NE 3.4Å
751	A	91.9	Very high	91.1	Very high	18 Å²	18	30.3 Å²	30.3	15%	0.149	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-38.7	-180	0	0	0	0	0	115.2	D690 A747 V748 M753 E754	D690-A751 HydrophobicContact CB-CB 4.18Å; D690-A751 WeakPolarHBondContact OD2-CB 3.45Å; A747-A751 PolarHBondContact O-N 2.86Å; V748-A751 PolarHBondContact O-N 3.04Å; A751-M753 PolarHBondContact O-N 2.83Å; A751-E754 PolarHBondContact O-N 2.7Å; A751-E754 VanDerWaalsContact O-N 3.16Å
752	P	92.7	Very high	90.8	Very high	44 Å²	44	33 Å²	33	29%	0.286	19%	0.193	S	C	.	.	H	α-helix	trans	-60.6	-15.6	176.7	-25.5	36.2	0	0	0	115.3	K121 T750 Y756	K121-P752 HydrophobicContact CD-CG 4.26Å; T750-P752 VanDerWaalsContact C-N 3.34Å; P752-Y756 PolarHBondContact O-N 3.21Å
753	M	91.9	Very high	90.4	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-70.5	-34.9	177.5	-60.6	-62.5	-64.2	0	0	112.2	S113 L117 L118 T750 A751 Y756 W757 L776	S113-M753 WeakPolarHBondContact O-CE 3.16Å; L117-M753 HydrophobicContact CD2-SD 4.17Å; L117-M753 HydrophobicContact CG-SD 4.35Å; L118-M753 HydrophobicContact CB-SD 3.98Å; L118-M753 HydrophobicContact CD1-CG 4.13Å; L118-M753 HydrophobicContact CD1-SD 4.2Å; T750-M753 VanDerWaalsContact O-CB 3.22Å; T750-M753 WeakPolarHBondContact O-CB 3.42Å; T750-M753 VanDerWaalsContact O-CG 3.26Å; T750-M753 WeakPolarHBondContact O-CG 3.23Å; T750-M753 PolarHBondContact O-N 3.28Å; A751-M753 PolarHBondContact O-N 2.83Å; M753-Y756 PolarHBondContact O-N 2.92Å; M753-W757 HydrophobicContact CB-CD2 4.42Å; M753-W757 HydrophobicContact CB-CE3 4.34Å; M753-W757 HydrophobicContact CB-CH2 4.31Å; M753-W757 HydrophobicContact CB-CZ2 4.34Å; M753-W757 HydrophobicContact CB-CZ3 4.29Å; M753-W757 HydrophobicContact CE-CZ2 3.68Å; M753-W757 PolarHBondContact O-N 2.93Å; M753-L776 HydrophobicContact CG-CD1 4.19Å
754	E	88.4	Confident	89.1	Confident	64 Å²	64	41.7 Å²	41.7	30%	0.299	24%	0.244	S	C	.	.	H	α-helix	trans	-59.8	-50.8	177.3	-174.5	-170.8	-178.2	0	0	110.4	A751 Y756 W757 T758	A751-E754 PolarHBondContact O-N 2.7Å; A751-E754 VanDerWaalsContact O-N 3.16Å; E754-Y756 VanDerWaalsContact C-N 3.33Å; E754-Y756 PolarHBondContact O-N 2.87Å; E754-W757 PolarHBondContact O-N 3.27Å; E754-T758 VanDerWaalsContact O-CB 3.24Å; E754-T758 WeakPolarHBondContact O-CB 3.12Å; E754-T758 PolarHBondContact O-N 2.9Å; E754-T758 PolarHBondContact O-OG1 2.81Å
755	A	89.3	Confident	87.8	Confident	68 Å²	68	46.7 Å²	46.7	56%	0.562	28%	0.28	S	S	*	.	H	α-helix	trans	-61.6	-39.6	177	0	0	0	0	0	112.2	A759	A755-A759 VanDerWaalsContact O-CB 3.26Å; A755-A759 WeakPolarHBondContact O-CB 3.25Å; A755-A759 PolarHBondContact O-N 3.03Å
756	Y	91.6	Very high	86.4	Confident	73 Å²	73	48 Å²	48	29%	0.286	29%	0.29	S	S	.	.	H	α-helix	trans	-65	-50.7	178.3	-179.3	-106.3	0	0	0	112.7	R111 G114 L117 P752 M753 E754 A759 L760	R111-Y756 WeakPolarHBondContact O-CE1 3.39Å; R111-Y756 PolarHBondContact O-OH 2.96Å; R111-Y756 VanDerWaalsContact O-OH 3.08Å; G114-Y756 VanDerWaalsContact CA-CE1 3.49Å; L117-Y756 HydrophobicContact CD2-CD1 4.26Å; L117-Y756 HydrophobicContact CD2-CD2 3.83Å; L117-Y756 HydrophobicContact CD2-CG 3.64Å; P752-Y756 PolarHBondContact O-N 3.21Å; M753-Y756 PolarHBondContact O-N 2.92Å; E754-Y756 VanDerWaalsContact C-N 3.33Å; E754-Y756 PolarHBondContact O-N 2.87Å; Y756-A759 PolarHBondContact O-N 2.86Å; Y756-L760 HydrophobicContact CD1-CD1 4.03Å; Y756-L760 HydrophobicContact CE1-CD1 3.53Å; Y756-L760 HydrophobicContact CE2-CD1 4.5Å; Y756-L760 PolarHBondContact O-N 3.46Å; Y756-L760 VanDerWaalsContact O-N 3.11Å
757	W	91.6	Very high	85.4	Confident	1 Å²	1	50.7 Å²	50.7	0%	0.004	30%	0.303	C	S	.	.	H	α-helix	trans	-67.2	-37	179.1	-62.6	-35	0	0	0	111.8	Y112 S113 M753 E754 L760 M761 A774 L776 R784 L786 Y788	Y112-W757 PolarHBondContact O-NE1 2.97Å; S113-W757 PolarHBondContact O-NE1 3.04Å; M753-W757 HydrophobicContact CB-CD2 4.42Å; M753-W757 HydrophobicContact CB-CE3 4.34Å; M753-W757 HydrophobicContact CB-CH2 4.31Å; M753-W757 HydrophobicContact CB-CZ2 4.34Å; M753-W757 HydrophobicContact CB-CZ3 4.29Å; M753-W757 HydrophobicContact CE-CZ2 3.68Å; M753-W757 PolarHBondContact O-N 2.93Å; E754-W757 PolarHBondContact O-N 3.27Å; W757-L760 WeakPolarHBondContact O-CB 3.44Å; W757-L760 PolarHBondContact O-N 2.89Å; W757-M761 PolarHBondContact O-N 3.37Å; W757-A774 HydrophobicContact CD2-CB 4.14Å; W757-A774 HydrophobicContact CG-CB 4.37Å; W757-A774 HydrophobicContact CZ2-CB 3.99Å; W757-L776 HydrophobicContact CH2-CB 3.86Å; W757-L776 HydrophobicContact CZ2-CB 4.4Å; W757-R784 HydrophobicContact CH2-CB 4.41Å; W757-R784 HydrophobicContact CZ3-CB 4.12Å; W757-L786 HydrophobicContact CB-CB 4.04Å; W757-L786 HydrophobicContact CB-CD2 3.47Å; W757-L786 VanDerWaalsContact CB-CD2 3.47Å; W757-L786 HydrophobicContact CB-CG 4.36Å; W757-L786 HydrophobicContact CD2-CB 4.31Å; W757-L786 HydrophobicContact CE3-CB 3.86Å; W757-L786 HydrophobicContact CG-CB 4.46Å; W757-Y788 HydrophobicContact CB-CE1 4.48Å; W757-Y788 VanDerWaalsContact CD1-OH 3.25Å
758	T	89.4	Confident	84.5	Confident	53 Å²	53	52.5 Å²	52.5	33%	0.325	31%	0.312	S	S	.	.	H	α-helix	trans	-65.7	-41.9	175.7	-56.9	0	0	0	0	111.6	E754 L760 M761 L762	E754-T758 VanDerWaalsContact O-CB 3.24Å; E754-T758 WeakPolarHBondContact O-CB 3.12Å; E754-T758 PolarHBondContact O-N 2.9Å; E754-T758 PolarHBondContact O-OG1 2.81Å; T758-L760 VanDerWaalsContact C-N 3.31Å; T758-L760 PolarHBondContact O-N 3.42Å; T758-M761 PolarHBondContact O-N 3.07Å; T758-L762 HydrophobicContact CG2-CD1 4.26Å; T758-L762 WeakPolarHBondContact O-CG 3.2Å; T758-L762 PolarHBondContact O-N 2.93Å
759	A	89.7	Confident	83.7	Confident	62 Å²	62	57.6 Å²	57.6	51%	0.512	34%	0.338	S	S	.	.	H	α-helix	trans	-62.9	-35.6	174.8	0	0	0	0	0	112.7	A755 Y756 N763	A755-A759 VanDerWaalsContact O-CB 3.26Å; A755-A759 WeakPolarHBondContact O-CB 3.25Å; A755-A759 PolarHBondContact O-N 3.03Å; Y756-A759 PolarHBondContact O-N 2.86Å; A759-N763 PolarHBondContact O-N 2.94Å
760	L	87.2	Confident	83.1	Confident	20 Å²	20	57.7 Å²	57.7	11%	0.105	34%	0.342	C	S	.	.	H	α-helix	trans	-66.4	-42.9	171.9	-75.9	168.2	0	0	0	112.2	R111 Y756 W757 T758 L762 N763 Y788	R111-L760 HydrophobicContact CG-CD2 4.44Å; R111-L760 WeakPolarHBondContact O-CD1 3.36Å; Y756-L760 HydrophobicContact CD1-CD1 4.03Å; Y756-L760 HydrophobicContact CE1-CD1 3.53Å; Y756-L760 HydrophobicContact CE2-CD1 4.5Å; Y756-L760 PolarHBondContact O-N 3.46Å; Y756-L760 VanDerWaalsContact O-N 3.11Å; W757-L760 WeakPolarHBondContact O-CB 3.44Å; W757-L760 PolarHBondContact O-N 2.89Å; T758-L760 VanDerWaalsContact C-N 3.31Å; T758-L760 PolarHBondContact O-N 3.42Å; L760-L762 VanDerWaalsContact C-N 3.33Å; L760-L762 PolarHBondContact O-N 2.94Å; L760-N763 PolarHBondContact O-N 3.37Å; L760-Y788 HydrophobicContact CB-CE1 4.3Å
761	M	84.1	Confident	82.8	Confident	79 Å²	79	57.8 Å²	57.8	39%	0.389	34%	0.342	S	S	.	.	H	α-helix	trans	-64.2	-35.7	179.3	-172.8	179	178.6	0	0	112.8	W757 T758 N763 L786 Y788	W757-M761 PolarHBondContact O-N 3.37Å; T758-M761 PolarHBondContact O-N 3.07Å; M761-N763 VanDerWaalsContact C-N 3.3Å; M761-L786 HydrophobicContact CB-CD2 4.43Å; M761-L786 HydrophobicContact SD-CD2 4.29Å; M761-Y788 HydrophobicContact CB-CD1 4.07Å; M761-Y788 HydrophobicContact CB-CE1 4.34Å; M761-Y788 HydrophobicContact CG-CD1 4.41Å
762	L	84.4	Confident	82.6	Confident	137 Å²	137	57 Å²	57	72%	0.717	34%	0.336	S	S	*	.	H	α-helix	trans	-72.6	-21.4	176	-68.5	171.1	0	0	0	113	T758 L760 T764	T758-L762 HydrophobicContact CG2-CD1 4.26Å; T758-L762 WeakPolarHBondContact O-CG 3.2Å; T758-L762 PolarHBondContact O-N 2.93Å; L760-L762 VanDerWaalsContact C-N 3.33Å; L760-L762 PolarHBondContact O-N 2.94Å; L762-T764 VanDerWaalsContact C-N 3.28Å; L762-T764 PolarHBondContact O-N 3.1Å
763	N	83.2	Confident	82.5	Confident	77 Å²	77	55.1 Å²	55.1	41%	0.412	32%	0.323	S	S	.	.			trans	-87.6	62	-178.5	-165.6	-3.2	0	0	0	112.1	A759 L760 M761 S765 S766	A759-N763 PolarHBondContact O-N 2.94Å; L760-N763 PolarHBondContact O-N 3.37Å; M761-N763 VanDerWaalsContact C-N 3.3Å; N763-S765 VanDerWaalsContact C-N 3.27Å; N763-S765 PolarHBondContact O-N 3.23Å; N763-S765 PolarHBondContact OD1-OG 2.9Å; N763-S766 PolarHBondContact ND2-OG 2.96Å; N763-S766 PolarHBondContact O-N 2.88Å; N763-S766 PolarHBondContact O-OG 3.2Å; N763-S766 PolarHBondContact OD1-OG 2.75Å
764	T	65.4	Low	82.5	Confident	114 Å²	114	55 Å²	55	70%	0.699	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-59.1	-27.7	-170.2	53.5	0	0	0	0	115.1	L762 S766	L762-T764 VanDerWaalsContact C-N 3.28Å; L762-T764 PolarHBondContact O-N 3.1Å; T764-S766 PolarHBondContact O-N 2.94Å
765	S	65.1	Low	82.8	Confident	113 Å²	113	52 Å²	52	79%	0.79	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-70.9	-10.6	176.3	58.3	0	0	0	0	113.9	N763	N763-S765 VanDerWaalsContact C-N 3.27Å; N763-S765 PolarHBondContact O-N 3.23Å; N763-S765 PolarHBondContact OD1-OG 2.9Å
766	S	63.4	Low	83	Confident	32 Å²	32	48.8 Å²	48.8	22%	0.224	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-119	3.1	-172.7	79.1	0	0	0	0	113.9	R111 Y112 N763 T764	R111-S766 VanDerWaalsContact CZ-O 3.27Å; R111-S766 PolarHBondContact NH1-O 3.14Å; R111-S766 VanDerWaalsContact NH2-CB 3.3Å; R111-S766 PolarHBondContact NH2-O 3.14Å; R111-S766 PolarHBondContact NH2-OG 2.69Å; Y112-S766 PolarHBondContact OH-O 3.43Å; N763-S766 PolarHBondContact ND2-OG 2.96Å; N763-S766 PolarHBondContact O-N 2.88Å; N763-S766 PolarHBondContact O-OG 3.2Å; N763-S766 PolarHBondContact OD1-OG 2.75Å; T764-S766 PolarHBondContact O-N 2.94Å
767	M	72.1	Confident	83.1	Confident	55 Å²	55	45.3 Å²	45.3	27%	0.271	27%	0.268	S	S	.	.			trans	-82.7	134.5	-179.6	-77.5	-172.5	68	0	0	112.1	Y112 Y788	Y112-M767 WeakPolarHBondContact OH-CA 3.5Å; M767-Y788 HydrophobicContact CE-CD1 4.2Å; M767-Y788 HydrophobicContact CE-CG 4.25Å
768	D	74.3	Confident	83.2	Confident	38 Å²	38	45.3 Å²	45.3	20%	0.203	27%	0.268	C	S	.	.			trans	-81	113.4	169.4	-61.7	-106	0	0	0	108.5	L108 R111 Y112 G770 V771 K876	L108-D768 HydrophobicContact CD1-CB 4.23Å; R111-D768 IonicContact NH1-OD2 3.33Å; Y112-D768 HydrophobicContact CE2-CB 4.36Å; Y112-D768 WeakPolarHBondContact CE2-OD2 3.16Å; Y112-D768 PolarHBondContact OH-N 3.07Å; Y112-D768 PolarHBondContact OH-OD2 3.16Å; D768-G770 PolarHBondContact O-N 2.77Å; D768-G770 VanDerWaalsContact O-N 3.12Å; D768-V771 HydrophobicContact CB-CG2 4.4Å; D768-V771 PolarHBondContact O-N 2.69Å; D768-K876 WeakPolarHBondContact OD1-CE 2.98Å; D768-K876 IonicContact OD1-NZ 1.93Å; D768-K876 PolarHBondContact OD1-NZ 3.5Å
769	D	76.1	Confident	83.2	Confident	148 Å²	148	43.7 Å²	43.7	79%	0.791	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	114.8	176.5	-103.9	-28.7	0	0	0	110.4	V872	D769-V872 VanDerWaalsContact O-CG2 3.25Å; D769-V872 WeakPolarHBondContact O-CG2 3.41Å
770	G	79.4	Confident	83.2	Confident	14 Å²	14	40.8 Å²	40.8	14%	0.144	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	117.9	0.3	177.9	0	0	0	0	0	115.9	D768 M868 T869	D768-G770 PolarHBondContact O-N 2.77Å; D768-G770 VanDerWaalsContact O-N 3.12Å; G770-M868 WeakPolarHBondContact O-CA 3.34Å; G770-T869 PolarHBondContact O-N 2.96Å
771	V	88.1	Confident	83.4	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	118.2	160.5	-178	0	0	0	0	108.8	Y112 D768 Y788 V866	Y112-V771 HydrophobicContact CD1-CB 4.48Å; Y112-V771 HydrophobicContact CD1-CG1 4.02Å; Y112-V771 HydrophobicContact CD2-CG1 4.29Å; Y112-V771 HydrophobicContact CD2-CG2 3.9Å; Y112-V771 HydrophobicContact CE2-CG2 3.95Å; Y112-V771 HydrophobicContact CG-CB 4.45Å; Y112-V771 HydrophobicContact CG-CG1 3.84Å; Y112-V771 HydrophobicContact CG-CG2 4.28Å; D768-V771 HydrophobicContact CB-CG2 4.4Å; D768-V771 PolarHBondContact O-N 2.69Å; V771-Y788 HydrophobicContact CG1-CD2 3.98Å; V771-Y788 HydrophobicContact CG1-CE2 4.24Å; V771-V866 HydrophobicContact CG1-CG2 3.53Å
772	E	87.6	Confident	83.8	Confident	2 Å²	2	36 Å²	36	1%	0.009	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	-47.1	-168.7	-57.3	-161.3	122.9	0	0	113.9	R787 Y788 T789 R794 V795 G796 Q867 T869	E772-R787 CarbonylContact O-C 3.5Å; E772-Y788 PolarHBondContact O-N 3.46Å; E772-T789 PolarHBondContact O-N 3.48Å; E772-R794 WeakPolarHBondContact OE1-CA 3.22Å; E772-V795 PolarHBondContact OE1-N 2.89Å; E772-G796 PolarHBondContact OE2-N 3.43Å; E772-Q867 HydrophobicContact CB-CG 4.22Å; E772-Q867 PolarHBondContact N-O 2.82Å; E772-Q867 PolarHBondContact OE2-NE2 2.73Å; E772-T869 HydrophobicContact CG-CG2 3.98Å
773	T	89.7	Confident	84.1	Confident	4 Å²	4	29.8 Å²	29.8	3%	0.025	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	130.9	-170.6	-51.1	0	0	0	0	110.4	F785 L786 R787 V866 Q867	T773-F785 HydrophobicContact CG2-CB 4.3Å; T773-L786 CarbonylContact C-O 3.58Å; T773-L786 WeakPolarHBondContact CA-O 3.05Å; T773-L786 WeakPolarHBondContact CG2-O 3.24Å; T773-R787 HydrophobicContact CG2-CG 4.02Å; T773-V866 WeakPolarHBondContact O-CA 3.36Å; T773-Q867 PolarHBondContact N-O 2.85Å; T773-Q867 PolarHBondContact O-N 2.81Å; T773-Q867 PolarHBondContact OG1-OE1 2.76Å; T773-Q867 VanDerWaalsContact OG1-OE1 3.11Å
774	A	92.9	Very high	84.5	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	142.1	160.2	0	0	0	0	0	109.2	Y112 W757 F785 L786 Y788	Y112-A774 WeakPolarHBondContact O-CB 3.34Å; W757-A774 HydrophobicContact CD2-CB 4.14Å; W757-A774 HydrophobicContact CG-CB 4.37Å; W757-A774 HydrophobicContact CZ2-CB 3.99Å; A774-F785 CarbonylContact O-C 3.57Å; A774-F785 VanDerWaalsContact O-CA 3.26Å; A774-F785 WeakPolarHBondContact O-CA 3.46Å; A774-F785 WeakPolarHBondContact O-CB 3.33Å; A774-L786 PolarHBondContact N-O 2.92Å; A774-L786 PolarHBondContact O-N 2.94Å; A774-Y788 HydrophobicContact CB-CE2 3.72Å
775	F	93.8	Very high	85.7	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	153.9	-178	61.1	-91.6	0	0	0	111.8	R784 F785 F799 L800 W817 I845 V864 G865	F775-R784 WeakPolarHBondContact CA-O 3.36Å; F775-F785 HydrophobicContact CB-CB 3.96Å; F775-F799 AromaticContact CD1-CE1 3.73Å; F775-F799 HydrophobicContact CD1-CE1 3.73Å; F775-F799 HydrophobicContact CD1-CZ 4.22Å; F775-F799 AromaticContact CE1-CE1 3.66Å; F775-F799 HydrophobicContact CE1-CE1 3.66Å; F775-F799 AromaticContact CE1-CZ 3.82Å; F775-F799 HydrophobicContact CE1-CZ 3.82Å; F775-F799 HydrophobicContact CG-CE1 4.41Å; F775-F799 HydrophobicContact CZ-CE1 4.31Å; F775-F799 HydrophobicContact CZ-CZ 4.01Å; F775-L800 HydrophobicContact CB-CD1 3.65Å; F775-L800 HydrophobicContact CD1-CD1 4.35Å; F775-L800 HydrophobicContact CG-CD1 3.99Å; F775-W817 HydrophobicContact CD2-CD2 4.14Å; F775-W817 HydrophobicContact CD2-CE3 4.14Å; F775-W817 HydrophobicContact CD2-CH2 4.09Å; F775-W817 HydrophobicContact CD2-CZ2 4.1Å; F775-W817 HydrophobicContact CD2-CZ3 4.1Å; F775-W817 HydrophobicContact CE2-CB 4.49Å; F775-W817 AromaticContact CE2-CD2 3.56Å; F775-W817 HydrophobicContact CE2-CD2 3.56Å; F775-W817 AromaticContact CE2-CE2 3.95Å; F775-W817 AromaticContact CE2-CE3 3.6Å; F775-W817 HydrophobicContact CE2-CE3 3.6Å; F775-W817 AromaticContact CE2-CG 3.98Å; F775-W817 HydrophobicContact CE2-CG 3.98Å; F775-W817 HydrophobicContact CE2-CH2 4.37Å; F775-W817 HydrophobicContact CE2-CZ2 4.36Å; F775-W817 HydrophobicContact CE2-CZ3 4.01Å; F775-I845 HydrophobicContact CE1-CG2 4.39Å; F775-I845 HydrophobicContact CZ-CG2 3.81Å; F775-V864 WeakPolarHBondContact O-CA 3.46Å; F775-V864 WeakPolarHBondContact O-CG2 3.34Å; F775-G865 PolarHBondContact N-O 2.85Å; F775-G865 PolarHBondContact O-N 2.91Å
776	L	94.4	Very high	86.9	Confident	1 Å²	1	19 Å²	19	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	141.2	-177.7	174.5	148.8	0	0	0	108.7	L118 T750 M753 W757 T778 L782 Q783 R784 V864	L118-L776 HydrophobicContact CD1-CD1 3.85Å; L118-L776 HydrophobicContact CD2-CD1 3.43Å; L118-L776 VanDerWaalsContact CD2-CD1 3.43Å; L118-L776 HydrophobicContact CD2-CG 4.4Å; L118-L776 HydrophobicContact CG-CD1 4.26Å; T750-L776 HydrophobicContact CG2-CD1 4.03Å; T750-L776 HydrophobicContact CG2-CD2 3.71Å; M753-L776 HydrophobicContact CG-CD1 4.19Å; W757-L776 HydrophobicContact CH2-CB 3.86Å; W757-L776 HydrophobicContact CZ2-CB 4.4Å; L776-T778 HydrophobicContact CD2-CG2 3.81Å; L776-L782 HydrophobicContact CD2-CD2 4.47Å; L776-Q783 CarbonylContact O-C 3.55Å; L776-Q783 VanDerWaalsContact O-CA 3.3Å; L776-Q783 WeakPolarHBondContact O-CA 3.45Å; L776-Q783 WeakPolarHBondContact O-CG 3.22Å; L776-R784 HydrophobicContact CD2-CB 4.47Å; L776-R784 PolarHBondContact N-O 3.19Å; L776-R784 PolarHBondContact O-N 3.01Å; L776-V864 HydrophobicContact CB-CG2 4.33Å; L776-V864 HydrophobicContact CD1-CG2 4.48Å
777	G	94	Very high	88.1	Confident	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	147.4	166.1	0	0	0	0	0	110.9	L782 Y818 G862 A863	G777-L782 WeakPolarHBondContact CA-O 3.38Å; G777-Y818 WeakPolarHBondContact O-CE2 3.36Å; G777-G862 CarbonylContact O-C 3.49Å; G777-G862 WeakPolarHBondContact O-CA 3.23Å; G777-A863 PolarHBondContact N-O 3.1Å; G777-A863 PolarHBondContact O-N 3.42Å
778	T	92.6	Very high	88.7	Confident	1 Å²	1	19.3 Å²	19.3	1%	0.006	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	175	-179.4	71	0	0	0	0	111.3	D746 T750 L776 S780 G781 L782 F809	D746-T778 HydrophobicContact CB-CG2 4.08Å; D746-T778 VanDerWaalsContact OD2-CB 3.22Å; D746-T778 WeakPolarHBondContact OD2-CB 3.15Å; D746-T778 PolarHBondContact OD2-OG1 3.46Å; T750-T778 HydrophobicContact CG2-CG2 3.95Å; L776-T778 HydrophobicContact CD2-CG2 3.81Å; T778-S780 VanDerWaalsContact C-N 3.27Å; T778-S780 PolarHBondContact O-N 3.49Å; T778-S780 PolarHBondContact OG1-OG 2.86Å; T778-S780 VanDerWaalsContact OG1-OG 3.07Å; T778-G781 PolarHBondContact O-N 3.03Å; T778-L782 HydrophobicContact CG2-CD2 4.26Å; T778-L782 PolarHBondContact N-O 3.45Å; T778-L782 PolarHBondContact OG1-O 3.38Å; T778-F809 WeakPolarHBondContact O-CE1 3.39Å; T778-F809 WeakPolarHBondContact O-CZ 3.4Å
779	R	89.6	Confident	89	Confident	19 Å²	19	18.7 Å²	18.7	7%	0.072	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-28.4	178.1	-171.3	178.9	64.9	93.2	-0.2	113.2	Y564 F678 G781 A861	Y564-R779 PolarHBondContact O-NH1 3.39Å; F678-R779 PolarHBondContact O-NH2 3.17Å; R779-G781 VanDerWaalsContact C-N 3.25Å; R779-G781 PolarHBondContact O-N 2.98Å; R779-A861 PolarHBondContact N-O 3.48Å; R779-A861 VanDerWaalsContact N-O 3.15Å
780	S	90.1	Very high	88.9	Confident	1 Å²	1	13.9 Å²	13.9	1%	0.007	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	3.8	-179.6	58.8	0	0	0	0	115.3	W702 Y704 D746 T778 L782	W702-S780 VanDerWaalsContact CZ3-C 3.41Å; W702-S780 WeakPolarHBondContact CZ3-O 3.26Å; Y704-S780 PolarHBondContact OH-O 3.08Å; D746-S780 WeakPolarHBondContact OD2-CB 3.28Å; D746-S780 PolarHBondContact OD2-OG 3.44Å; T778-S780 VanDerWaalsContact C-N 3.27Å; T778-S780 PolarHBondContact O-N 3.49Å; T778-S780 PolarHBondContact OG1-OG 2.86Å; T778-S780 VanDerWaalsContact OG1-OG 3.07Å; S780-L782 VanDerWaalsContact C-N 3.27Å; S780-L782 PolarHBondContact O-N 3.23Å
781	G	90.5	Very high	88.5	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	79.2	8.5	-176.2	0	0	0	0	0	113.9	A699 T778 R779	A699-G781 PolarHBondContact N-O 3.03Å; T778-G781 PolarHBondContact O-N 3.03Å; R779-G781 VanDerWaalsContact C-N 3.25Å; R779-G781 PolarHBondContact O-N 2.98Å
782	L	92.1	Very high	87.7	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	129.8	169.8	179.9	161.9	0	0	0	109.9	L696 L698 T743 D746 A747 L776 G777 T778 S780 R784	L696-L782 HydrophobicContact CD1-CD1 3.69Å; L696-L782 HydrophobicContact CD1-CD2 4.17Å; L696-L782 HydrophobicContact CD1-CG 3.87Å; L696-L782 HydrophobicContact CD2-CG 4.4Å; L696-L782 HydrophobicContact CG-CD1 4.37Å; L696-L782 HydrophobicContact CG-CD2 4.39Å; L696-L782 HydrophobicContact CG-CG 4.04Å; L698-L782 HydrophobicContact CD2-CB 4.08Å; L698-L782 HydrophobicContact CD2-CG 4.41Å; T743-L782 HydrophobicContact CG2-CD1 4.31Å; D746-L782 HydrophobicContact CB-CD1 4.28Å; A747-L782 HydrophobicContact CB-CD1 3.72Å; L776-L782 HydrophobicContact CD2-CD2 4.47Å; G777-L782 WeakPolarHBondContact CA-O 3.38Å; T778-L782 HydrophobicContact CG2-CD2 4.26Å; T778-L782 PolarHBondContact N-O 3.45Å; T778-L782 PolarHBondContact OG1-O 3.38Å; S780-L782 VanDerWaalsContact C-N 3.27Å; S780-L782 PolarHBondContact O-N 3.23Å; L782-R784 HydrophobicContact CD2-CG 4.09Å
783	Q	92.1	Very high	87	Confident	5 Å²	5	34 Å²	34	2%	0.023	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	122.1	-178.5	-174.9	-178.4	-23.2	0	0	110.7	T697 L776 F809	T697-Q783 PolarHBondContact N-O 3.39Å; T697-Q783 PolarHBondContact O-N 2.86Å; T697-Q783 PolarHBondContact OG1-O 3.03Å; L776-Q783 CarbonylContact O-C 3.55Å; L776-Q783 VanDerWaalsContact O-CA 3.3Å; L776-Q783 WeakPolarHBondContact O-CA 3.45Å; L776-Q783 WeakPolarHBondContact O-CG 3.22Å; Q783-F809 HydrophobicContact CB-CD2 4.43Å; Q783-F809 HydrophobicContact CB-CE2 4.12Å; Q783-F809 HydrophobicContact CG-CE2 4.47Å
784	R	91.8	Very high	86.3	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.7	172.1	-67.4	-178	-177.6	-93.9	0.6	110.2	D690 T693 D695 L696 A747 T750 W757 F775 L776 L782	D690-R784 PolarHBondContact O-NH2 3.17Å; T693-R784 PolarHBondContact OG1-NH1 3.29Å; T693-R784 VanDerWaalsContact OG1-NH1 3.1Å; D695-R784 VanDerWaalsContact CG-NH1 3.26Å; D695-R784 WeakPolarHBondContact O-CA 3.14Å; D695-R784 IonicContact OD1-NH1 3.91Å; D695-R784 PolarHBondContact OD1-NH1 2.59Å; D695-R784 VanDerWaalsContact OD2-CD 3.32Å; D695-R784 WeakPolarHBondContact OD2-CD 3.12Å; D695-R784 WeakPolarHBondContact OD2-CG 3.35Å; D695-R784 IonicContact OD2-CZ 2.7Å; D695-R784 IonicContact OD2-NE 2.63Å; D695-R784 IonicContact OD2-NH1 2.69Å; D695-R784 PolarHBondContact OD2-NH1 2.68Å; L696-R784 HydrophobicContact CB-CG 4.35Å; L696-R784 HydrophobicContact CG-CG 4.47Å; A747-R784 PolarHBondContact O-NH2 3Å; T750-R784 PolarHBondContact OG1-NE 3.4Å; W757-R784 HydrophobicContact CH2-CB 4.41Å; W757-R784 HydrophobicContact CZ3-CB 4.12Å; F775-R784 WeakPolarHBondContact CA-O 3.36Å; L776-R784 HydrophobicContact CD2-CB 4.47Å; L776-R784 PolarHBondContact N-O 3.19Å; L776-R784 PolarHBondContact O-N 3.01Å; L782-R784 HydrophobicContact CD2-CG 4.09Å
785	F	90.6	Very high	85.4	Confident	43 Å²	43	37.5 Å²	37.5	19%	0.189	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	134.6	170.9	58.5	-89.7	0	0	0	113.2	D695 T697 T773 A774 F775 R787 L800	D695-F785 PolarHBondContact O-N 3.13Å; T697-F785 HydrophobicContact CG2-CE1 4.12Å; T773-F785 HydrophobicContact CG2-CB 4.3Å; A774-F785 CarbonylContact O-C 3.57Å; A774-F785 VanDerWaalsContact O-CA 3.26Å; A774-F785 WeakPolarHBondContact O-CA 3.46Å; A774-F785 WeakPolarHBondContact O-CB 3.33Å; F775-F785 HydrophobicContact CB-CB 3.96Å; F785-R787 HydrophobicContact CD2-CG 4.37Å; F785-L800 HydrophobicContact CB-CD1 4.29Å; F785-L800 HydrophobicContact CG-CD1 4.47Å
786	L	89.6	Confident	84.2	Confident	35 Å²	35	37.7 Å²	37.7	18%	0.183	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.5	169.6	-165.9	75.2	0	0	0	110.6	W757 M761 T773 A774 Y788	W757-L786 HydrophobicContact CB-CB 4.04Å; W757-L786 HydrophobicContact CB-CD2 3.47Å; W757-L786 VanDerWaalsContact CB-CD2 3.47Å; W757-L786 HydrophobicContact CB-CG 4.36Å; W757-L786 HydrophobicContact CD2-CB 4.31Å; W757-L786 HydrophobicContact CE3-CB 3.86Å; W757-L786 HydrophobicContact CG-CB 4.46Å; M761-L786 HydrophobicContact CB-CD2 4.43Å; M761-L786 HydrophobicContact SD-CD2 4.29Å; T773-L786 CarbonylContact C-O 3.58Å; T773-L786 WeakPolarHBondContact CA-O 3.05Å; T773-L786 WeakPolarHBondContact CG2-O 3.24Å; A774-L786 PolarHBondContact N-O 2.92Å; A774-L786 PolarHBondContact O-N 2.94Å; L786-Y788 HydrophobicContact CD2-CD1 4.35Å; L786-Y788 HydrophobicContact CD2-CE1 4.09Å
787	R	88	Confident	83.2	Confident	81 Å²	81	43.9 Å²	43.9	31%	0.306	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	101.2	178.2	-73.5	154.9	162.2	-170.3	-1.5	109.6	E772 T773 F785 T789	E772-R787 CarbonylContact O-C 3.5Å; T773-R787 HydrophobicContact CG2-CG 4.02Å; F785-R787 HydrophobicContact CD2-CG 4.37Å; R787-T789 VanDerWaalsContact C-N 3.33Å; R787-T789 PolarHBondContact O-N 3.49Å
788	Y	85.6	Confident	82.1	Confident	12 Å²	12	46.3 Å²	46.3	5%	0.047	24%	0.236	C	C	.	.			trans	-64.7	-34.5	-179.2	-67.8	-64.8	0	0	0	113	Y112 W757 L760 M761 M767 V771 E772 A774 L786	Y112-Y788 HydrophobicContact CD1-CE2 4.04Å; Y112-Y788 PolarHBondContact O-OH 3.45Å; Y112-Y788 VanDerWaalsContact O-OH 3.1Å; W757-Y788 HydrophobicContact CB-CE1 4.48Å; W757-Y788 VanDerWaalsContact CD1-OH 3.25Å; L760-Y788 HydrophobicContact CB-CE1 4.3Å; M761-Y788 HydrophobicContact CB-CD1 4.07Å; M761-Y788 HydrophobicContact CB-CE1 4.34Å; M761-Y788 HydrophobicContact CG-CD1 4.41Å; M767-Y788 HydrophobicContact CE-CD1 4.2Å; M767-Y788 HydrophobicContact CE-CG 4.25Å; V771-Y788 HydrophobicContact CG1-CD2 3.98Å; V771-Y788 HydrophobicContact CG1-CE2 4.24Å; E772-Y788 PolarHBondContact O-N 3.46Å; A774-Y788 HydrophobicContact CB-CE2 3.72Å; L786-Y788 HydrophobicContact CD2-CD1 4.35Å; L786-Y788 HydrophobicContact CD2-CE1 4.09Å
789	T	80.9	Confident	81.5	Confident	25 Å²	25	46.7 Å²	46.7	15%	0.153	24%	0.238	C	C	.	.	S	Bend	trans	-99.3	146.8	-179.9	53.6	0	0	0	0	112.6	E772 R787 R794	E772-T789 PolarHBondContact O-N 3.48Å; R787-T789 VanDerWaalsContact C-N 3.33Å; R787-T789 PolarHBondContact O-N 3.49Å; T789-R794 VanDerWaalsContact O-CZ 3.22Å; T789-R794 PolarHBondContact O-NE 2.76Å; T789-R794 PolarHBondContact O-NH2 2.81Å; T789-R794 WeakPolarHBondContact OG1-CG 3.21Å
790	G	73.3	Confident	81.1	Confident	47 Å²	47	46.4 Å²	46.4	49%	0.485	24%	0.238	S	C	.	.			trans	-65	155	173	0	0	0	0	0	113	E792 K793 R794	G790-E792 PolarHBondContact O-N 2.86Å; G790-E792 VanDerWaalsContact O-N 3.12Å; G790-K793 PolarHBondContact O-N 2.86Å; G790-R794 PolarHBondContact O-N 2.78Å
791	V	71.8	Confident	80.5	Confident	95 Å²	95	48.1 Å²	48.1	58%	0.576	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-30.4	-173.5	-176.3	0	0	0	0	113.2	K797	V791-K797 WeakPolarHBondContact O-CE 3.11Å
792	E	70.4	Confident	79.4	Confident	180 Å²	180	53 Å²	53	84%	0.841	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-46.1	179.8	-61.8	-177.3	164.5	0	0	112.7	G790 R794	G790-E792 PolarHBondContact O-N 2.86Å; G790-E792 VanDerWaalsContact O-N 3.12Å; E792-R794 VanDerWaalsContact C-N 3.32Å; E792-R794 PolarHBondContact O-N 2.58Å
793	K	73.9	Confident	78.4	Confident	166 Å²	166	58.4 Å²	58.4	72%	0.722	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-14.9	-179.2	-71.6	-171.6	175.7	-172.2	0	113.6	G790 V795	G790-K793 PolarHBondContact O-N 2.86Å; K793-V795 PolarHBondContact O-N 3.02Å
794	R	74.3	Confident	77.6	Confident	34 Å²	34	59.6 Å²	59.6	13%	0.128	32%	0.322	C	S	.	.			trans	-68.1	131.2	-178.7	-83.4	-175.7	-127.6	140.3	5.3	113	E772 T789 G790 E792 K797	E772-R794 WeakPolarHBondContact OE1-CA 3.22Å; T789-R794 VanDerWaalsContact O-CZ 3.22Å; T789-R794 PolarHBondContact O-NE 2.76Å; T789-R794 PolarHBondContact O-NH2 2.81Å; T789-R794 WeakPolarHBondContact OG1-CG 3.21Å; G790-R794 PolarHBondContact O-N 2.78Å; E792-R794 VanDerWaalsContact C-N 3.32Å; E792-R794 PolarHBondContact O-N 2.58Å; R794-K797 HydrophobicContact CB-CG 4.34Å; R794-K797 WeakPolarHBondContact O-CE 3.41Å; R794-K797 WeakPolarHBondContact O-CG 3.49Å
795	V	74.2	Confident	76.9	Confident	43 Å²	43	65 Å²	65	26%	0.261	35%	0.346	S	S	.	.	S	Bend	trans	-83.9	-53.7	173.3	-174.8	0	0	0	0	109.9	E772 K793 K797 G841 I843 T869	E772-V795 PolarHBondContact OE1-N 2.89Å; K793-V795 PolarHBondContact O-N 3.02Å; V795-K797 VanDerWaalsContact C-N 3.32Å; V795-K797 PolarHBondContact O-N 3.11Å; V795-G841 VanDerWaalsContact CG1-N 3.26Å; V795-G841 WeakPolarHBondContact CG1-O 3.3Å; V795-I843 HydrophobicContact CB-CG2 4.39Å; V795-I843 HydrophobicContact CG1-CG2 4.31Å; V795-T869 HydrophobicContact CB-CG2 4.37Å; V795-T869 HydrophobicContact CG2-CG2 3.85Å
796	G	68.6	Low	76.3	Confident	3 Å²	3	66 Å²	66	3%	0.031	35%	0.351	C	S	.	.			trans	-82.4	62.4	-177.9	0	0	0	0	0	114.4	E772 S798 F799	E772-G796 PolarHBondContact OE2-N 3.43Å; G796-S798 VanDerWaalsContact C-N 3.28Å; G796-S798 PolarHBondContact O-N 3.5Å; G796-F799 PolarHBondContact O-N 2.98Å
797	K	72.4	Confident	76.1	Confident	131 Å²	131	64.9 Å²	64.9	57%	0.57	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.5	-172.8	-63.2	-172	-178.7	-172.8	0	115.6	V791 R794 V795	V791-K797 WeakPolarHBondContact O-CE 3.11Å; R794-K797 HydrophobicContact CB-CG 4.34Å; R794-K797 WeakPolarHBondContact O-CE 3.41Å; R794-K797 WeakPolarHBondContact O-CG 3.49Å; V795-K797 VanDerWaalsContact C-N 3.32Å; V795-K797 PolarHBondContact O-N 3.11Å
798	S	72	Confident	76	Confident	52 Å²	52	63 Å²	63	36%	0.364	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-12.3	-178.3	59.1	0	0	0	0	114.8	G796 T801 D804	G796-S798 VanDerWaalsContact C-N 3.28Å; G796-S798 PolarHBondContact O-N 3.5Å; S798-T801 PolarHBondContact O-N 3.42Å; S798-T801 PolarHBondContact O-OG1 3.45Å; S798-D804 WeakPolarHBondContact O-CB 3.27Å
799	F	80.8	Confident	76.1	Confident	8 Å²	8	62.8 Å²	62.8	4%	0.035	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	134.3	-175.4	-174.9	-113.8	0	0	0	111.2	F775 G796 T801 N807 I845 Q867	F775-F799 AromaticContact CD1-CE1 3.73Å; F775-F799 HydrophobicContact CD1-CE1 3.73Å; F775-F799 HydrophobicContact CD1-CZ 4.22Å; F775-F799 AromaticContact CE1-CE1 3.66Å; F775-F799 HydrophobicContact CE1-CE1 3.66Å; F775-F799 AromaticContact CE1-CZ 3.82Å; F775-F799 HydrophobicContact CE1-CZ 3.82Å; F775-F799 HydrophobicContact CG-CE1 4.41Å; F775-F799 HydrophobicContact CZ-CE1 4.31Å; F775-F799 HydrophobicContact CZ-CZ 4.01Å; G796-F799 PolarHBondContact O-N 2.98Å; F799-T801 VanDerWaalsContact C-N 3.34Å; F799-T801 PolarHBondContact O-N 3.17Å; F799-N807 HydrophobicContact CD2-CB 4.26Å; F799-N807 HydrophobicContact CE2-CB 3.91Å; F799-I845 HydrophobicContact CD2-CD1 4.21Å; F799-I845 HydrophobicContact CE2-CD1 3.49Å; F799-I845 VanDerWaalsContact CE2-CD1 3.49Å; F799-I845 HydrophobicContact CE2-CG1 4.41Å; F799-I845 HydrophobicContact CZ-CD1 3.82Å; F799-I845 HydrophobicContact CZ-CG1 4.35Å; F799-Q867 HydrophobicContact CD1-CB 4.48Å; F799-Q867 HydrophobicContact CE1-CB 4.4Å
800	L	79.5	Confident	76.2	Confident	13 Å²	13	61.8 Å²	61.8	7%	0.068	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.8	48.1	-173.8	-47.4	176.8	0	0	0	112.3	F775 F785 N807	F775-L800 HydrophobicContact CB-CD1 3.65Å; F775-L800 HydrophobicContact CD1-CD1 4.35Å; F775-L800 HydrophobicContact CG-CD1 3.99Å; F785-L800 HydrophobicContact CB-CD1 4.29Å; F785-L800 HydrophobicContact CG-CD1 4.47Å; L800-N807 HydrophobicContact CD2-CB 4.16Å; L800-N807 WeakPolarHBondContact CD2-O 3.38Å
801	T	77.3	Confident	76.6	Confident	37 Å²	37	60.7 Å²	60.7	23%	0.227	32%	0.316	C	S	.	.	S	Bend	trans	-122.7	160	168.9	69.8	0	0	0	0	109.4	S798 F799 T803 D804	S798-T801 PolarHBondContact O-N 3.42Å; S798-T801 PolarHBondContact O-OG1 3.45Å; F799-T801 VanDerWaalsContact C-N 3.34Å; F799-T801 PolarHBondContact O-N 3.17Å; T801-T803 PolarHBondContact O-N 3.45Å; T801-T803 PolarHBondContact OG1-OG1 2.72Å; T801-D804 PolarHBondContact O-N 2.96Å
802	S	68.2	Low	76.8	Confident	104 Å²	104	60.2 Å²	60.2	73%	0.727	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-11.1	179	53.5	0	0	0	0	115
803	T	71.1	Confident	77.5	Confident	113 Å²	113	53.5 Å²	53.5	69%	0.693	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-20.3	171.6	64.2	0	0	0	0	113.7	T801	T801-T803 PolarHBondContact O-N 3.45Å; T801-T803 PolarHBondContact OG1-OG1 2.72Å
804	D	76.3	Confident	78.2	Confident	29 Å²	29	45.6 Å²	45.6	16%	0.155	25%	0.245	C	C	.	.			trans	-109.2	65.1	-174.6	-174.9	14.1	0	0	0	110.4	S798 T801 E806 N807 M808	S798-D804 WeakPolarHBondContact O-CB 3.27Å; T801-D804 PolarHBondContact O-N 2.96Å; D804-E806 PolarHBondContact O-N 3.4Å; D804-E806 VanDerWaalsContact O-N 3.17Å; D804-N807 VanDerWaalsContact CG-ND2 3.29Å; D804-N807 PolarHBondContact O-N 2.76Å; D804-N807 VanDerWaalsContact O-N 3.11Å; D804-N807 PolarHBondContact OD1-ND2 3.08Å; D804-N807 PolarHBondContact OD2-ND2 2.97Å; D804-M808 PolarHBondContact O-N 2.87Å
805	K	75.5	Confident	79	Confident	114 Å²	114	44 Å²	44	50%	0.496	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-54.5	-33.8	-177.1	-73	-157.6	173	-145.8	0	113.3	E701 N807 M808 T810 H813	E701-K805 IonicContact OE1-NZ 3.46Å; E701-K805 PolarHBondContact OE1-NZ 3.19Å; K805-N807 PolarHBondContact O-N 2.95Å; K805-M808 PolarHBondContact O-N 2.99Å; K805-T810 HydrophobicContact CB-CG2 4.26Å; K805-H813 PolarHBondContact O-CE1 2.88Å
806	E	79	Confident	79.7	Confident	64 Å²	64	42.5 Å²	42.5	30%	0.299	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-62	-25.6	-180	-80.4	155.1	-110	0	0	114	K642 D804 V816	K642-E806 VanDerWaalsContact CE-OE1 3.28Å; K642-E806 WeakPolarHBondContact CE-OE1 3.31Å; K642-E806 IonicContact NZ-OE1 2.76Å; K642-E806 PolarHBondContact NZ-OE1 2.95Å; K642-E806 IonicContact NZ-OE2 2.89Å; K642-E806 PolarHBondContact NZ-OE2 2.83Å; D804-E806 PolarHBondContact O-N 3.4Å; D804-E806 VanDerWaalsContact O-N 3.17Å; E806-V816 HydrophobicContact CB-CG2 4.28Å; E806-V816 WeakPolarHBondContact O-CG2 3.43Å; E806-V816 PolarHBondContact O-N 2.93Å
807	N	84.8	Confident	80.8	Confident	11 Å²	11	42.4 Å²	42.4	6%	0.059	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-107	5.2	179.3	-64.8	-61.8	0	0	0	113.6	F799 L800 D804 K805 W817	F799-N807 HydrophobicContact CD2-CB 4.26Å; F799-N807 HydrophobicContact CE2-CB 3.91Å; L800-N807 HydrophobicContact CD2-CB 4.16Å; L800-N807 WeakPolarHBondContact CD2-O 3.38Å; D804-N807 VanDerWaalsContact CG-ND2 3.29Å; D804-N807 PolarHBondContact O-N 2.76Å; D804-N807 VanDerWaalsContact O-N 3.11Å; D804-N807 PolarHBondContact OD1-ND2 3.08Å; D804-N807 PolarHBondContact OD2-ND2 2.97Å; K805-N807 PolarHBondContact O-N 2.95Å; N807-W817 PolarHBondContact O-NE1 2.73Å; N807-W817 VanDerWaalsContact O-NE1 3.09Å
808	M	86.7	Confident	81.7	Confident	43 Å²	43	36.2 Å²	36.2	21%	0.212	20%	0.201	C	C	.	.	S	Bend	trans	-105.1	163	170.9	-67.7	-157.7	70.3	0	0	111.5	D804 K805 T810	D804-M808 PolarHBondContact O-N 2.87Å; K805-M808 PolarHBondContact O-N 2.99Å; M808-T810 PolarHBondContact O-N 2.88Å
809	F	87.1	Confident	82.6	Confident	7 Å²	7	35.2 Å²	35.2	3%	0.031	19%	0.19	C	C	.	.			trans	-75	117.4	168.2	-68	-95.3	0	0	0	109.1	A699 W702 T778 Q783 F814 P815 Y818	A699-F809 HydrophobicContact CB-CB 3.62Å; A699-F809 HydrophobicContact CB-CG 4.46Å; W702-F809 HydrophobicContact CH2-CD1 4.39Å; W702-F809 HydrophobicContact CZ2-CD1 4.13Å; T778-F809 WeakPolarHBondContact O-CE1 3.39Å; T778-F809 WeakPolarHBondContact O-CZ 3.4Å; Q783-F809 HydrophobicContact CB-CD2 4.43Å; Q783-F809 HydrophobicContact CB-CE2 4.12Å; Q783-F809 HydrophobicContact CG-CE2 4.47Å; F809-F814 AromaticContact CD1-CD1 3.96Å; F809-F814 HydrophobicContact CD1-CD1 3.96Å; F809-F814 HydrophobicContact CD1-CE1 4.21Å; F809-F814 AromaticContact CE1-CD1 3.57Å; F809-F814 HydrophobicContact CE1-CD1 3.57Å; F809-F814 AromaticContact CE1-CE1 3.8Å; F809-F814 HydrophobicContact CE1-CE1 3.8Å; F809-P815 HydrophobicContact CD1-CG 4.26Å; F809-P815 HydrophobicContact CD2-CG 3.9Å; F809-P815 HydrophobicContact CE1-CG 4.29Å; F809-P815 HydrophobicContact CE2-CG 3.92Å; F809-P815 HydrophobicContact CG-CG 4.07Å; F809-P815 HydrophobicContact CZ-CG 4.12Å; F809-Y818 HydrophobicContact CE1-CD2 4.36Å; F809-Y818 HydrophobicContact CE1-CE2 4.48Å; F809-Y818 HydrophobicContact CZ-CD2 4.03Å; F809-Y818 HydrophobicContact CZ-CE2 4.25Å
810	T	83.8	Confident	83	Confident	4 Å²	4	35.5 Å²	35.5	3%	0.025	19%	0.19	C	C	.	.			trans	-113.6	171.6	176.4	59.9	0	0	0	0	110	E701 W702 K805 M808 D812 H813	E701-T810 VanDerWaalsContact OE2-CA 3.26Å; E701-T810 WeakPolarHBondContact OE2-CA 3.33Å; E701-T810 WeakPolarHBondContact OE2-CB 3.45Å; W702-T810 PolarHBondContact NE1-O 3.31Å; K805-T810 HydrophobicContact CB-CG2 4.26Å; M808-T810 PolarHBondContact O-N 2.88Å; T810-D812 PolarHBondContact O-N 3.5Å; T810-D812 PolarHBondContact OG1-N 3.22Å; T810-H813 PolarHBondContact N-O 3.11Å; T810-H813 PolarHBondContact OG1-CE1 3.46Å; T810-H813 PolarHBondContact OG1-N 3.49Å; T810-H813 PolarHBondContact OG1-ND1 2.86Å; T810-H813 PolarHBondContact OG1-O 3.19Å
811	L	80.1	Confident	83.6	Confident	23 Å²	23	34.9 Å²	34.9	12%	0.12	19%	0.188	C	C	.	.	S	Bend	trans	-63.2	-34.7	170	-168.1	151.6	0	0	0	111.1	R555 M558 K559 R563 E701	R555-L811 HydrophobicContact CG-CD1 4.15Å; M558-L811 HydrophobicContact CB-CD2 3.94Å; K559-L811 HydrophobicContact CG-CD1 3.99Å; R563-L811 WeakPolarHBondContact CG-O 3.1Å; E701-L811 PolarHBondContact OE2-N 2.91Å
812	D	77.1	Confident	84.2	Confident	85 Å²	85	33.3 Å²	33.3	46%	0.455	18%	0.178	S	C	.	.	S	Bend	trans	-86.1	-23.8	-172.2	-52.2	-45.3	0	0	0	114.6	R563 T810	R563-D812 VanDerWaalsContact CZ-O 3.3Å; R563-D812 PolarHBondContact NH1-O 3.27Å; R563-D812 PolarHBondContact NH2-O 3.27Å; T810-D812 PolarHBondContact O-N 3.5Å; T810-D812 PolarHBondContact OG1-N 3.22Å
813	H	83.9	Confident	85.1	Confident	39 Å²	39	30.7 Å²	30.7	18%	0.181	15%	0.154	C	C	.	.			trans	-160.8	153.3	179.2	62.7	64.2	0	0	0	115.2	K805 T810	K805-H813 PolarHBondContact O-CE1 2.88Å; T810-H813 PolarHBondContact N-O 3.11Å; T810-H813 PolarHBondContact OG1-CE1 3.46Å; T810-H813 PolarHBondContact OG1-N 3.49Å; T810-H813 PolarHBondContact OG1-ND1 2.86Å; T810-H813 PolarHBondContact OG1-O 3.19Å
814	F	89.4	Confident	85.9	Confident	1 Å²	1	27.2 Å²	27.2	0%	0.004	13%	0.129	C	C	.	.			trans	-66.6	151.2	158.6	-77.8	-97.5	0	0	0	111	R563 G567 I568 W702 F809 Y818 R819	R563-F814 HydrophobicContact CB-CE2 3.92Å; G567-F814 VanDerWaalsContact O-CE2 3.27Å; G567-F814 WeakPolarHBondContact O-CE2 3.18Å; I568-F814 HydrophobicContact CG2-CB 4.5Å; I568-F814 HydrophobicContact CG2-CG 4.49Å; I568-F814 WeakPolarHBondContact O-CD2 3.13Å; W702-F814 HydrophobicContact CH2-CE1 4.19Å; W702-F814 AromaticContact CH2-CZ 3.93Å; W702-F814 HydrophobicContact CH2-CZ 3.93Å; W702-F814 HydrophobicContact CZ2-CE1 4.5Å; W702-F814 HydrophobicContact CZ2-CZ 4.23Å; F809-F814 AromaticContact CD1-CD1 3.96Å; F809-F814 HydrophobicContact CD1-CD1 3.96Å; F809-F814 HydrophobicContact CD1-CE1 4.21Å; F809-F814 AromaticContact CE1-CD1 3.57Å; F809-F814 HydrophobicContact CE1-CD1 3.57Å; F809-F814 AromaticContact CE1-CE1 3.8Å; F809-F814 HydrophobicContact CE1-CE1 3.8Å; F814-Y818 HydrophobicContact CD1-CD1 4.2Å; F814-Y818 HydrophobicContact CD1-CE1 4.25Å; F814-Y818 HydrophobicContact CD1-CG 4.38Å; F814-R819 HydrophobicContact CB-CG 3.79Å; F814-R819 PolarHBondContact O-NE 2.86Å
815	P	90.8	Very high	86.5	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	14%	0.143	C	C	.	.			trans	-52.5	146	178.9	-24.7	30.2	0	0	0	113.4	F809 W817 Y818 R819	F809-P815 HydrophobicContact CD1-CG 4.26Å; F809-P815 HydrophobicContact CD2-CG 3.9Å; F809-P815 HydrophobicContact CE1-CG 4.29Å; F809-P815 HydrophobicContact CE2-CG 3.92Å; F809-P815 HydrophobicContact CG-CG 4.07Å; F809-P815 HydrophobicContact CZ-CG 4.12Å; P815-W817 VanDerWaalsContact C-N 3.28Å; P815-W817 HydrophobicContact CB-CD2 4.04Å; P815-W817 VanDerWaalsContact CB-CE2 3.49Å; P815-W817 HydrophobicContact CB-CG 4.17Å; P815-W817 HydrophobicContact CB-CZ2 3.95Å; P815-W817 VanDerWaalsContact CB-NE1 3.26Å; P815-W817 HydrophobicContact CG-CZ2 3.88Å; P815-W817 PolarHBondContact O-N 2.9Å; P815-Y818 WeakPolarHBondContact O-CB 3.34Å; P815-Y818 PolarHBondContact O-N 3.33Å; P815-R819 PolarHBondContact O-N 3.11Å
816	V	89.3	Confident	86.8	Confident	12 Å²	12	27.6 Å²	27.6	7%	0.073	14%	0.143	C	C	.	.	H	α-helix	trans	-57.5	-40	-179.6	171.5	0	0	0	0	112.3	V640 E806 Y818 R820	V640-V816 HydrophobicContact CG1-CG1 3.81Å; E806-V816 HydrophobicContact CB-CG2 4.28Å; E806-V816 WeakPolarHBondContact O-CG2 3.43Å; E806-V816 PolarHBondContact O-N 2.93Å; V816-Y818 VanDerWaalsContact C-N 3.32Å; V816-Y818 PolarHBondContact O-N 3.4Å; V816-R820 HydrophobicContact CG1-CG 4.43Å; V816-R820 WeakPolarHBondContact O-CB 3.47Å; V816-R820 VanDerWaalsContact O-CG 3.32Å; V816-R820 WeakPolarHBondContact O-CG 3.43Å; V816-R820 PolarHBondContact O-N 3.33Å; V816-R820 VanDerWaalsContact O-N 3.11Å
817	W	91.1	Very high	87	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-64.4	-36	175.7	54.5	-95	0	0	0	112.4	F775 N807 P815 A821 Y832 I845 A863	F775-W817 HydrophobicContact CD2-CD2 4.14Å; F775-W817 HydrophobicContact CD2-CE3 4.14Å; F775-W817 HydrophobicContact CD2-CH2 4.09Å; F775-W817 HydrophobicContact CD2-CZ2 4.1Å; F775-W817 HydrophobicContact CD2-CZ3 4.1Å; F775-W817 HydrophobicContact CE2-CB 4.49Å; F775-W817 AromaticContact CE2-CD2 3.56Å; F775-W817 HydrophobicContact CE2-CD2 3.56Å; F775-W817 AromaticContact CE2-CE2 3.95Å; F775-W817 AromaticContact CE2-CE3 3.6Å; F775-W817 HydrophobicContact CE2-CE3 3.6Å; F775-W817 AromaticContact CE2-CG 3.98Å; F775-W817 HydrophobicContact CE2-CG 3.98Å; F775-W817 HydrophobicContact CE2-CH2 4.37Å; F775-W817 HydrophobicContact CE2-CZ2 4.36Å; F775-W817 HydrophobicContact CE2-CZ3 4.01Å; N807-W817 PolarHBondContact O-NE1 2.73Å; N807-W817 VanDerWaalsContact O-NE1 3.09Å; P815-W817 VanDerWaalsContact C-N 3.28Å; P815-W817 HydrophobicContact CB-CD2 4.04Å; P815-W817 VanDerWaalsContact CB-CE2 3.49Å; P815-W817 HydrophobicContact CB-CG 4.17Å; P815-W817 HydrophobicContact CB-CZ2 3.95Å; P815-W817 VanDerWaalsContact CB-NE1 3.26Å; P815-W817 HydrophobicContact CG-CZ2 3.88Å; P815-W817 PolarHBondContact O-N 2.9Å; W817-A821 WeakPolarHBondContact O-CB 3.22Å; W817-A821 PolarHBondContact O-N 3.23Å; W817-Y832 WeakPolarHBondContact CA-OH 3.05Å; W817-Y832 HydrophobicContact CB-CE1 4.4Å; W817-Y832 VanDerWaalsContact CB-OH 3.31Å; W817-Y832 WeakPolarHBondContact CB-OH 3.44Å; W817-Y832 PolarHBondContact N-OH 3.45Å; W817-I845 HydrophobicContact CB-CG2 4.46Å; W817-A863 HydrophobicContact CE3-CB 4.11Å; W817-A863 HydrophobicContact CZ3-CB 3.78Å
818	Y	92.3	Very high	87.2	Confident	1 Å²	1	29.7 Å²	29.7	0%	0.004	17%	0.166	C	C	.	.	H	α-helix	trans	-69.9	-53.4	179.2	-167.3	-61	0	0	0	110.1	I568 G777 F809 F814 P815 V816 R820 A821 A822 I860 G862 A863	I568-Y818 HydrophobicContact CB-CE1 4.5Å; I568-Y818 HydrophobicContact CD1-CE1 3.75Å; I568-Y818 HydrophobicContact CG1-CD1 4.48Å; I568-Y818 HydrophobicContact CG1-CE1 3.75Å; I568-Y818 HydrophobicContact CG2-CD1 3.82Å; I568-Y818 HydrophobicContact CG2-CE1 3.95Å; G777-Y818 WeakPolarHBondContact O-CE2 3.36Å; F809-Y818 HydrophobicContact CE1-CD2 4.36Å; F809-Y818 HydrophobicContact CE1-CE2 4.48Å; F809-Y818 HydrophobicContact CZ-CD2 4.03Å; F809-Y818 HydrophobicContact CZ-CE2 4.25Å; F814-Y818 HydrophobicContact CD1-CD1 4.2Å; F814-Y818 HydrophobicContact CD1-CE1 4.25Å; F814-Y818 HydrophobicContact CD1-CG 4.38Å; P815-Y818 WeakPolarHBondContact O-CB 3.34Å; P815-Y818 PolarHBondContact O-N 3.33Å; V816-Y818 VanDerWaalsContact C-N 3.32Å; V816-Y818 PolarHBondContact O-N 3.4Å; Y818-R820 VanDerWaalsContact C-N 3.31Å; Y818-R820 PolarHBondContact O-N 3.11Å; Y818-A821 PolarHBondContact O-N 3.38Å; Y818-A821 VanDerWaalsContact O-N 3.12Å; Y818-A822 PolarHBondContact O-N 3.45Å; Y818-I860 HydrophobicContact CE1-CG2 4.46Å; Y818-G862 WeakPolarHBondContact OH-CA 3.35Å; Y818-A863 HydrophobicContact CD1-CB 4.43Å; Y818-A863 HydrophobicContact CD2-CB 3.85Å; Y818-A863 HydrophobicContact CE2-CB 4.24Å; Y818-A863 HydrophobicContact CG-CB 3.96Å
819	R	90.8	Very high	87.5	Confident	32 Å²	32	27.7 Å²	27.7	12%	0.121	16%	0.156	C	C	.	.	H	α-helix	trans	-55.3	-44.9	179.6	-72.7	-166.6	-80.6	157.5	-7	112	I568 H569 F814 P815 A822 E823	I568-R819 HydrophobicContact CG2-CG 4.04Å; H569-R819 VanDerWaalsContact CE1-CB 3.48Å; H569-R819 WeakPolarHBondContact CE1-CB 3.41Å; H569-R819 PolarHBondContact CE1-O 3.26Å; H569-R819 PolarHBondContact NE2-O 2.73Å; F814-R819 HydrophobicContact CB-CG 3.79Å; F814-R819 PolarHBondContact O-NE 2.86Å; P815-R819 PolarHBondContact O-N 3.11Å; R819-A822 PolarHBondContact O-N 2.71Å; R819-E823 PolarHBondContact O-N 2.95Å
820	R	89.9	Confident	87.8	Confident	13 Å²	13	27.7 Å²	27.7	5%	0.049	16%	0.156	C	C	.	.	H	α-helix	trans	-74.3	-28.8	179	-63	-177.6	67.1	-162.5	-1.5	113.8	V640 R645 I647 V816 Y818 A822 Y824 L830 Y832	V640-R820 HydrophobicContact CG1-CG 4.3Å; R645-R820 VanDerWaalsContact CD-CZ 3.46Å; I647-R820 HydrophobicContact CD1-CG 4.21Å; V816-R820 HydrophobicContact CG1-CG 4.43Å; V816-R820 WeakPolarHBondContact O-CB 3.47Å; V816-R820 VanDerWaalsContact O-CG 3.32Å; V816-R820 WeakPolarHBondContact O-CG 3.43Å; V816-R820 PolarHBondContact O-N 3.33Å; V816-R820 VanDerWaalsContact O-N 3.11Å; Y818-R820 VanDerWaalsContact C-N 3.31Å; Y818-R820 PolarHBondContact O-N 3.11Å; R820-A822 VanDerWaalsContact C-N 3.35Å; R820-Y824 PolarHBondContact O-N 2.98Å; R820-L830 HydrophobicContact CB-CD2 3.39Å; R820-L830 HydrophobicContact CG-CD2 4.49Å; R820-Y832 VanDerWaalsContact NH1-CB 3.26Å; R820-Y832 VanDerWaalsContact NH1-CD2 3.3Å
821	A	91.5	Very high	88.2	Confident	1 Å²	1	27.5 Å²	27.5	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-72.2	-29.7	175.1	0	0	0	0	0	112.3	W817 Y818 Y824 A847 A849 A863	W817-A821 WeakPolarHBondContact O-CB 3.22Å; W817-A821 PolarHBondContact O-N 3.23Å; Y818-A821 PolarHBondContact O-N 3.38Å; Y818-A821 VanDerWaalsContact O-N 3.12Å; A821-Y824 PolarHBondContact O-N 2.69Å; A821-A847 HydrophobicContact CB-CB 4.06Å; A821-A849 VanDerWaalsContact O-CB 3.26Å; A821-A849 WeakPolarHBondContact O-CB 3.4Å; A821-A863 HydrophobicContact CB-CB 3.99Å
822	A	89.9	Confident	88.7	Confident	3 Å²	3	26.6 Å²	26.6	3%	0.025	15%	0.15	C	C	.	.	H	α-helix	trans	-67.1	-43.8	174.8	0	0	0	0	0	112.8	I568 Y673 Y818 R819 R820 Y824 I860	I568-A822 HydrophobicContact CD1-CB 3.85Å; I568-A822 HydrophobicContact CG2-CB 4.17Å; Y673-A822 HydrophobicContact CD1-CB 4.44Å; Y673-A822 WeakPolarHBondContact CE1-O 3.37Å; Y673-A822 PolarHBondContact OH-O 3.45Å; Y673-A822 VanDerWaalsContact OH-O 3.12Å; Y818-A822 PolarHBondContact O-N 3.45Å; R819-A822 PolarHBondContact O-N 2.71Å; R820-A822 VanDerWaalsContact C-N 3.35Å; A822-Y824 VanDerWaalsContact C-N 3.25Å; A822-Y824 PolarHBondContact O-N 3.16Å; A822-I860 HydrophobicContact CB-CD1 3.57Å
823	E	87	Confident	89.1	Confident	50 Å²	50	23.4 Å²	23.4	23%	0.234	13%	0.133	C	C	.	.	H	α-helix	trans	-65.2	-25.9	175.4	-68.4	-60.1	131.7	0	0	113.6	H569 I647 L649 Y673 R819	H569-E823 IonicContact CD2-OE1 3.59Å; H569-E823 PolarHBondContact CD2-OE1 3.26Å; H569-E823 VanDerWaalsContact CD2-OE1 3.26Å; H569-E823 IonicContact CE1-OE1 3.93Å; H569-E823 WeakPolarHBondContact NE2-CG 3.47Å; H569-E823 IonicContact NE2-OE1 2.57Å; H569-E823 PolarHBondContact NE2-OE1 3.11Å; H569-E823 IonicContact NE2-OE2 2.81Å; I647-E823 HydrophobicContact CD1-CG 4.31Å; I647-E823 HydrophobicContact CG2-CG 3.86Å; L649-E823 VanDerWaalsContact CD2-OE1 3.3Å; L649-E823 WeakPolarHBondContact CD2-OE1 3.18Å; Y673-E823 VanDerWaalsContact CD2-OE1 3.26Å; Y673-E823 WeakPolarHBondContact CD2-OE1 3.47Å; Y673-E823 WeakPolarHBondContact CE2-OE1 3.28Å; R819-E823 PolarHBondContact O-N 2.95Å
824	Y	88.3	Confident	88.9	Confident	39 Å²	39	22.5 Å²	22.5	15%	0.153	13%	0.13	C	C	.	.	S	Bend	trans	-85.6	142.9	-177	-155.5	-108.2	0	0	0	111.3	R820 A821 A822 V826 Q828 L830 S1060 N1061	R820-Y824 PolarHBondContact O-N 2.98Å; A821-Y824 PolarHBondContact O-N 2.69Å; A822-Y824 VanDerWaalsContact C-N 3.25Å; A822-Y824 PolarHBondContact O-N 3.16Å; Y824-V826 PolarHBondContact O-N 3Å; Y824-Q828 HydrophobicContact CD1-CB 4.01Å; Y824-Q828 HydrophobicContact CE1-CB 3.55Å; Y824-Q828 PolarHBondContact OH-OE1 3.26Å; Y824-L830 HydrophobicContact CD1-CB 4.24Å; Y824-L830 HydrophobicContact CD2-CD1 4.03Å; Y824-L830 HydrophobicContact CG-CB 4.15Å; Y824-L830 HydrophobicContact CG-CD1 4.18Å; Y824-S1060 PolarHBondContact OH-O 2.99Å; Y824-S1060 VanDerWaalsContact OH-O 3.07Å; Y824-N1061 HydrophobicContact CD2-CB 4.41Å; Y824-N1061 HydrophobicContact CE2-CB 3.72Å; Y824-N1061 PolarHBondContact OH-N 2.81Å
825	P	87.4	Confident	87.9	Confident	69 Å²	69	27.9 Å²	27.9	45%	0.448	15%	0.15	S	C	.	.	P	Polyproline II helix	trans	-53.5	130.4	-177.1	-30	36.8	0	0	0	113.9	Q828	P825-Q828 WeakPolarHBondContact O-CB 3.49Å; P825-Q828 PolarHBondContact O-N 2.68Å; P825-Q828 VanDerWaalsContact O-N 3.12Å
826	V	83	Confident	86.5	Confident	82 Å²	82	30.7 Å²	30.7	50%	0.497	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	137.3	-173.9	-63.4	0	0	0	0	112.7	Y824 Q828 T851	Y824-V826 PolarHBondContact O-N 3Å; V826-Q828 PolarHBondContact O-N 3.38Å; V826-T851 HydrophobicContact CG1-CG2 3.7Å
827	G	82.3	Confident	84.6	Confident	51 Å²	51	36 Å²	36	53%	0.526	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.9	-6	-178.1	0	0	0	0	0	115.6	T848	G827-T848 PolarHBondContact N-OG1 3.04Å
828	Q	90	Very high	82.4	Confident	68 Å²	68	41.4 Å²	41.4	32%	0.318	23%	0.225	S	C	.	.	S	Bend	trans	-97.3	153.3	167.3	-56.9	-172.9	20	0	0	110.8	Y824 P825 V826 T848	Y824-Q828 HydrophobicContact CD1-CB 4.01Å; Y824-Q828 HydrophobicContact CE1-CB 3.55Å; Y824-Q828 PolarHBondContact OH-OE1 3.26Å; P825-Q828 WeakPolarHBondContact O-CB 3.49Å; P825-Q828 PolarHBondContact O-N 2.68Å; P825-Q828 VanDerWaalsContact O-N 3.12Å; V826-Q828 PolarHBondContact O-N 3.38Å; Q828-T848 VanDerWaalsContact O-CB 3.23Å; Q828-T848 WeakPolarHBondContact O-CB 3.47Å; Q828-T848 PolarHBondContact O-OG1 3.13Å
829	F	92.1	Very high	80.3	Confident	2 Å²	2	54 Å²	54	1%	0.009	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-98.1	126.7	-178.9	-80.5	-97.7	0	0	0	111.6	S113 A115 Y831 T848 E1059	S113-F829 WeakPolarHBondContact OG-CZ 3.45Å; A115-F829 HydrophobicContact CB-CZ 3.96Å; F829-Y831 HydrophobicContact CB-CD2 4.28Å; F829-Y831 HydrophobicContact CB-CE1 4.27Å; F829-Y831 HydrophobicContact CB-CE2 3.47Å; F829-Y831 VanDerWaalsContact CB-CE2 3.47Å; F829-Y831 VanDerWaalsContact CB-CZ 3.46Å; F829-Y831 WeakPolarHBondContact CB-OH 3.43Å; F829-Y831 WeakPolarHBondContact O-CD2 3.46Å; F829-Y831 WeakPolarHBondContact O-CE2 3.5Å; F829-T848 HydrophobicContact CD1-CG2 4.39Å; F829-T848 HydrophobicContact CE1-CG2 3.85Å; F829-T848 HydrophobicContact CE2-CG2 3.99Å; F829-T848 HydrophobicContact CZ-CG2 3.62Å; F829-E1059 PolarHBondContact N-O 2.94Å
830	L	92.9	Very high	78.5	Confident	6 Å²	6	55 Å²	55	3%	0.031	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	121.7	165	179.8	88	0	0	0	109.1	R820 Y824 Y832 G846 A847 N1061	R820-L830 HydrophobicContact CB-CD2 3.39Å; R820-L830 HydrophobicContact CG-CD2 4.49Å; Y824-L830 HydrophobicContact CD1-CB 4.24Å; Y824-L830 HydrophobicContact CD2-CD1 4.03Å; Y824-L830 HydrophobicContact CG-CB 4.15Å; Y824-L830 HydrophobicContact CG-CD1 4.18Å; L830-Y832 HydrophobicContact CD2-CD1 4.05Å; L830-Y832 HydrophobicContact CD2-CE1 4.37Å; L830-G846 CarbonylContact O-C 3.58Å; L830-G846 WeakPolarHBondContact O-CA 3.41Å; L830-A847 PolarHBondContact N-O 3.28Å; L830-A847 PolarHBondContact O-N 2.92Å; L830-N1061 HydrophobicContact CD1-CB 3.92Å
831	Y	92.6	Very high	77.1	Confident	1 Å²	1	56.1 Å²	56.1	0%	0.004	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.9	174.2	-59.9	-83.9	0	0	0	111.3	I105 S109 F829 I845 M868 N1061 L1062	I105-Y831 HydrophobicContact CD1-CD1 3.8Å; I105-Y831 HydrophobicContact CD1-CD2 4.24Å; I105-Y831 HydrophobicContact CD1-CE1 3.57Å; I105-Y831 HydrophobicContact CD1-CE2 4.03Å; I105-Y831 HydrophobicContact CD1-CG 4.12Å; I105-Y831 HydrophobicContact CG1-CD1 4.44Å; I105-Y831 HydrophobicContact CG1-CE1 3.72Å; I105-Y831 HydrophobicContact CG1-CE2 4.37Å; I105-Y831 HydrophobicContact CG2-CE2 4.17Å; I105-Y831 PolarHBondContact O-OH 3.17Å; I105-Y831 VanDerWaalsContact O-OH 3.09Å; S109-Y831 WeakPolarHBondContact CB-OH 3.49Å; S109-Y831 WeakPolarHBondContact OG-CE1 3.37Å; S109-Y831 PolarHBondContact OG-OH 3.08Å; F829-Y831 HydrophobicContact CB-CD2 4.28Å; F829-Y831 HydrophobicContact CB-CE1 4.27Å; F829-Y831 HydrophobicContact CB-CE2 3.47Å; F829-Y831 VanDerWaalsContact CB-CE2 3.47Å; F829-Y831 VanDerWaalsContact CB-CZ 3.46Å; F829-Y831 WeakPolarHBondContact CB-OH 3.43Å; F829-Y831 WeakPolarHBondContact O-CD2 3.46Å; F829-Y831 WeakPolarHBondContact O-CE2 3.5Å; Y831-I845 VanDerWaalsContact CA-O 3.32Å; Y831-I845 WeakPolarHBondContact CA-O 3.44Å; Y831-M868 HydrophobicContact CE1-CE 4.36Å; Y831-N1061 PolarHBondContact N-OD1 3.4Å; Y831-N1061 PolarHBondContact O-ND2 3.12Å; Y831-N1061 PolarHBondContact O-OD1 3.05Å; Y831-L1062 HydrophobicContact CD2-CD1 4Å; Y831-L1062 HydrophobicContact CD2-CG 4.25Å; Y831-L1062 HydrophobicContact CG-CD1 4.17Å
832	Y	90.4	Very high	76.5	Confident	4 Å²	4	60 Å²	60	2%	0.016	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	158.7	172.7	73	-84	0	0	0	113	W817 R820 L830 P834 I845	W817-Y832 WeakPolarHBondContact CA-OH 3.05Å; W817-Y832 HydrophobicContact CB-CE1 4.4Å; W817-Y832 VanDerWaalsContact CB-OH 3.31Å; W817-Y832 WeakPolarHBondContact CB-OH 3.44Å; W817-Y832 PolarHBondContact N-OH 3.45Å; R820-Y832 VanDerWaalsContact NH1-CB 3.26Å; R820-Y832 VanDerWaalsContact NH1-CD2 3.3Å; L830-Y832 HydrophobicContact CD2-CD1 4.05Å; L830-Y832 HydrophobicContact CD2-CE1 4.37Å; Y832-P834 HydrophobicContact CE2-CB 4.3Å; Y832-I845 HydrophobicContact CD1-CB 4.37Å; Y832-I845 HydrophobicContact CE1-CB 4.03Å; Y832-I845 HydrophobicContact CE1-CG2 3.87Å; Y832-I845 HydrophobicContact CE2-CD1 4.21Å; Y832-I845 PolarHBondContact N-O 2.95Å; Y832-I845 PolarHBondContact O-N 3.46Å
833	M	86.4	Confident	76.3	Confident	18 Å²	18	60 Å²	60	9%	0.089	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-95.5	122.5	171.1	-173.5	165	-64.6	0	0	109.5	R842 I843 V844 L870 L917 A925	M833-R842 HydrophobicContact CE-CB 3.91Å; M833-R842 HydrophobicContact SD-CB 4.13Å; M833-R842 HydrophobicContact SD-CG 4.23Å; M833-I843 WeakPolarHBondContact CG-O 3.31Å; M833-V844 HydrophobicContact CE-CG2 3.97Å; M833-L870 HydrophobicContact CE-CD1 4.36Å; M833-L870 HydrophobicContact CE-CD2 4.31Å; M833-L917 HydrophobicContact CB-CD2 4.07Å; M833-A925 HydrophobicContact CE-CB 3.84Å; M833-A925 HydrophobicContact SD-CB 4.22Å
834	P	78.9	Confident	76.4	Confident	19 Å²	19	57.6 Å²	57.6	12%	0.123	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-75.8	155.6	171.8	33.1	-35.9	0	0	0	111	Y832 Q836 I843 I845	Y832-P834 HydrophobicContact CE2-CB 4.3Å; P834-Q836 PolarHBondContact O-N 3.03Å; P834-I843 HydrophobicContact CG-CD1 3.84Å; P834-I843 HydrophobicContact CG-CG1 3.71Å; P834-I845 HydrophobicContact CB-CD1 4.06Å; P834-I845 HydrophobicContact CG-CD1 3.76Å; P834-I845 HydrophobicContact CG-CG1 4.28Å
835	R	69.3	Low	76.6	Confident	114 Å²	114	55.8 Å²	55.8	43%	0.43	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-76.7	119.6	177.7	-179.7	177	171.5	173.6	-5.7	111.6	D837	R835-D837 IonicContact CZ-OD1 2.73Å; R835-D837 VanDerWaalsContact CZ-OD1 3.28Å; R835-D837 IonicContact CZ-OD2 2.68Å; R835-D837 IonicContact NE-OD1 3.44Å; R835-D837 PolarHBondContact NE-OD1 3.31Å; R835-D837 IonicContact NE-OD2 3.34Å; R835-D837 IonicContact NH2-OD1 3.55Å; R835-D837 PolarHBondContact NH2-OD1 3.16Å; R835-D837 IonicContact NH2-OD2 3.59Å; R835-D837 PolarHBondContact NH2-OD2 3.34Å
836	Q	62.2	Low	76.9	Confident	60 Å²	60	52.5 Å²	52.5	28%	0.28	28%	0.277	S	S	.	.			trans	-114.7	121.5	167.3	-66.8	-177	1.5	0	0	110	P834 T838 G841	P834-Q836 PolarHBondContact O-N 3.03Å; Q836-T838 PolarHBondContact O-N 3.34Å; Q836-G841 PolarHBondContact OE1-O 2.87Å
837	D	49.3	Very low	77.4	Confident	123 Å²	123	48.6 Å²	48.6	66%	0.658	25%	0.254	S	S	*	.			trans	-82.2	-4.9	-173.1	-88.2	-15.2	0	0	0	114.6	R835	R835-D837 IonicContact CZ-OD1 2.73Å; R835-D837 VanDerWaalsContact CZ-OD1 3.28Å; R835-D837 IonicContact CZ-OD2 2.68Å; R835-D837 IonicContact NE-OD1 3.44Å; R835-D837 PolarHBondContact NE-OD1 3.31Å; R835-D837 IonicContact NE-OD2 3.34Å; R835-D837 IonicContact NH2-OD1 3.55Å; R835-D837 PolarHBondContact NH2-OD1 3.16Å; R835-D837 IonicContact NH2-OD2 3.59Å; R835-D837 PolarHBondContact NH2-OD2 3.34Å
838	T	45.1	Very low	78	Confident	113 Å²	113	46.3 Å²	46.3	69%	0.693	23%	0.23	S	C	*	.	S	Bend	trans	-151.8	127.5	179.7	53.5	0	0	0	0	114.9	Q836 A840	Q836-T838 PolarHBondContact O-N 3.34Å; T838-A840 PolarHBondContact O-N 3.36Å
839	R	47.4	Very low	78.2	Confident	265 Å²	265	43.2 Å²	43.2	100%	1	22%	0.215	S	C	*	.	S	Bend	trans	42.3	-18.2	152.9	-65.6	-170.8	-173.7	-179.2	2.9	122.3
840	A	52	Low	78.2	Confident	53 Å²	53	43.2 Å²	43.2	44%	0.438	22%	0.216	S	C	.	.	S	Bend	trans	-65	150	168.4	0	0	0	0	0	109.5	T838	T838-A840 PolarHBondContact O-N 3.36Å
841	G	61.5	Low	78.2	Confident	37 Å²	37	44 Å²	44	38%	0.381	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-67.1	165	178.8	0	0	0	0	0	112.4	V795 Q836	V795-G841 VanDerWaalsContact CG1-N 3.26Å; V795-G841 WeakPolarHBondContact CG1-O 3.3Å; Q836-G841 PolarHBondContact OE1-O 2.87Å
842	R	78.1	Confident	78	Confident	83 Å²	83	43.9 Å²	43.9	31%	0.313	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-81.2	127.3	-172.4	-64.9	175.1	177.6	-164.8	-12.1	110.9	M833 L870 R922 S923 A925	M833-R842 HydrophobicContact CE-CB 3.91Å; M833-R842 HydrophobicContact SD-CB 4.13Å; M833-R842 HydrophobicContact SD-CG 4.23Å; R842-L870 HydrophobicContact CB-CB 4.11Å; R842-L870 HydrophobicContact CB-CD2 3.9Å; R842-L870 WeakPolarHBondContact O-CB 3.49Å; R842-L870 PolarHBondContact O-N 2.88Å; R842-R922 PolarHBondContact NH1-O 3.18Å; R842-S923 VanDerWaalsContact NH1-C 3.27Å; R842-S923 PolarHBondContact NH1-O 3.35Å; R842-S923 PolarHBondContact NH2-O 3.22Å; R842-A925 VanDerWaalsContact NH1-C 3.33Å; R842-A925 VanDerWaalsContact NH1-CA 3.32Å; R842-A925 VanDerWaalsContact NH1-CB 3.35Å; R842-A925 PolarHBondContact NH1-O 3.19Å; R842-A925 PolarHBondContact NH2-O 2.7Å
843	I	86.2	Confident	77.9	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.015	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	153.7	173.8	65.9	174.3	0	0	0	110.2	V795 M833 P834 Q867 M868	V795-I843 HydrophobicContact CB-CG2 4.39Å; V795-I843 HydrophobicContact CG1-CG2 4.31Å; M833-I843 WeakPolarHBondContact CG-O 3.31Å; P834-I843 HydrophobicContact CG-CD1 3.84Å; P834-I843 HydrophobicContact CG-CG1 3.71Å; I843-Q867 HydrophobicContact CB-CG 4.4Å; I843-Q867 HydrophobicContact CD1-CG 4.26Å; I843-M868 CarbonylContact C-O 3.59Å; I843-M868 WeakPolarHBondContact CA-O 3.41Å
844	V	89.7	Confident	78	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	138	170.6	179.1	0	0	0	0	108.2	M833 M868 L870 L873 L917	M833-V844 HydrophobicContact CE-CG2 3.97Å; V844-M868 HydrophobicContact CB-CG 4.15Å; V844-M868 PolarHBondContact N-O 2.88Å; V844-M868 PolarHBondContact O-N 3.24Å; V844-L870 HydrophobicContact CG2-CD1 4.4Å; V844-L873 HydrophobicContact CB-CD1 3.76Å; V844-L873 HydrophobicContact CG1-CD1 3.76Å; V844-L873 HydrophobicContact CG2-CD1 3.83Å; V844-L917 HydrophobicContact CG1-CD2 3.96Å; V844-L917 HydrophobicContact CG2-CD2 3.89Å
845	I	91.4	Very high	78.2	Confident	0 Å²	0	51 Å²	51	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125.8	176.1	-64.5	170.8	0	0	0	107.6	F775 F799 W817 Y831 Y832 P834	F775-I845 HydrophobicContact CE1-CG2 4.39Å; F775-I845 HydrophobicContact CZ-CG2 3.81Å; F799-I845 HydrophobicContact CD2-CD1 4.21Å; F799-I845 HydrophobicContact CE2-CD1 3.49Å; F799-I845 VanDerWaalsContact CE2-CD1 3.49Å; F799-I845 HydrophobicContact CE2-CG1 4.41Å; F799-I845 HydrophobicContact CZ-CD1 3.82Å; F799-I845 HydrophobicContact CZ-CG1 4.35Å; W817-I845 HydrophobicContact CB-CG2 4.46Å; Y831-I845 VanDerWaalsContact CA-O 3.32Å; Y831-I845 WeakPolarHBondContact CA-O 3.44Å; Y832-I845 HydrophobicContact CD1-CB 4.37Å; Y832-I845 HydrophobicContact CE1-CB 4.03Å; Y832-I845 HydrophobicContact CE1-CG2 3.87Å; Y832-I845 HydrophobicContact CE2-CD1 4.21Å; Y832-I845 PolarHBondContact N-O 2.95Å; Y832-I845 PolarHBondContact O-N 3.46Å; P834-I845 HydrophobicContact CB-CD1 4.06Å; P834-I845 HydrophobicContact CG-CD1 3.76Å; P834-I845 HydrophobicContact CG-CG1 4.28Å
846	G	93.5	Very high	79	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	123.6	165.8	0	0	0	0	0	109.8	L830 G865 V866	L830-G846 CarbonylContact O-C 3.58Å; L830-G846 WeakPolarHBondContact O-CA 3.41Å; G846-G865 CarbonylContact O-C 3.57Å; G846-G865 WeakPolarHBondContact O-CA 3.41Å; G846-V866 PolarHBondContact N-O 3.17Å; G846-V866 PolarHBondContact O-N 3.05Å
847	A	94.9	Very high	80.2	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151.4	-178.8	0	0	0	0	0	112.7	A821 L830 V864	A821-A847 HydrophobicContact CB-CB 4.06Å; L830-A847 PolarHBondContact N-O 3.28Å; L830-A847 PolarHBondContact O-N 2.92Å; A847-V864 WeakPolarHBondContact CA-O 3.36Å
848	T	95.1	Very high	82.1	Confident	4 Å²	4	53.7 Å²	53.7	3%	0.025	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	146.3	176	-168.5	0	0	0	0	110.7	A115 G827 Q828 F829 A863 V864	A115-T848 HydrophobicContact CB-CG2 3.69Å; G827-T848 PolarHBondContact N-OG1 3.04Å; Q828-T848 VanDerWaalsContact O-CB 3.23Å; Q828-T848 WeakPolarHBondContact O-CB 3.47Å; Q828-T848 PolarHBondContact O-OG1 3.13Å; F829-T848 HydrophobicContact CD1-CG2 4.39Å; F829-T848 HydrophobicContact CE1-CG2 3.85Å; F829-T848 HydrophobicContact CE2-CG2 3.99Å; F829-T848 HydrophobicContact CZ-CG2 3.62Å; T848-A863 WeakPolarHBondContact O-CA 3.37Å; T848-V864 HydrophobicContact CG2-CG1 3.83Å; T848-V864 PolarHBondContact N-O 3.38Å; T848-V864 PolarHBondContact O-N 2.83Å
849	A	93.8	Very high	84.2	Confident	2 Å²	2	48.6 Å²	48.6	2%	0.017	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	152.3	172.4	0	0	0	0	0	111.7	A821 I860	A821-A849 VanDerWaalsContact O-CB 3.26Å; A821-A849 WeakPolarHBondContact O-CB 3.4Å; A849-I860 HydrophobicContact CB-CD1 4.41Å; A849-I860 HydrophobicContact CB-CG2 4.41Å
850	V	92.8	Very high	86.3	Confident	2 Å²	2	36.9 Å²	36.9	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.5	175.5	169.6	0	0	0	0	109	L118 Q119 Y122 A861 G862 V864	L118-V850 HydrophobicContact CD2-CB 4.31Å; L118-V850 HydrophobicContact CD2-CG1 4.36Å; L118-V850 HydrophobicContact CD2-CG2 4.02Å; L118-V850 HydrophobicContact CG-CG1 4.28Å; Q119-V850 HydrophobicContact CB-CG1 4.2Å; Y122-V850 HydrophobicContact CD2-CG1 3.67Å; Y122-V850 HydrophobicContact CE2-CG1 4.31Å; Y122-V850 HydrophobicContact CG-CG1 4.43Å; V850-A861 PolarHBondContact O-N 3.39Å; V850-G862 PolarHBondContact N-O 3.18Å; V850-G862 PolarHBondContact O-N 2.57Å; V850-V864 HydrophobicContact CG2-CG1 4.21Å
851	T	91.1	Very high	88.1	Confident	22 Å²	22	34.3 Å²	34.3	14%	0.135	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	151.5	-172.7	47.2	0	0	0	0	113.1	Q119 V826 A859 I860	Q119-T851 PolarHBondContact NE2-O 2.94Å; Q119-T851 VanDerWaalsContact OE1-N 3.1Å; V826-T851 HydrophobicContact CG1-CG2 3.7Å; T851-A859 CarbonylContact C-O 3.56Å; T851-A859 WeakPolarHBondContact CA-O 3.46Å; T851-A859 WeakPolarHBondContact CB-O 3.17Å; T851-I860 HydrophobicContact CG2-CG1 3.88Å
852	V	89.6	Confident	89.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136.7	166.2	173.6	0	0	0	0	108.4	Y122 E126 V129 M131 F678 V854 T858 A859 A861	Y122-V852 HydrophobicContact CD1-CG2 3.45Å; Y122-V852 VanDerWaalsContact CD1-CG2 3.45Å; Y122-V852 HydrophobicContact CE1-CG2 4.32Å; Y122-V852 HydrophobicContact CG-CG2 3.92Å; E126-V852 HydrophobicContact CG-CG1 4.31Å; V129-V852 HydrophobicContact CG1-CG1 4.24Å; M131-V852 HydrophobicContact SD-CG1 4.44Å; F678-V852 HydrophobicContact CE2-CG2 4.46Å; V852-V854 HydrophobicContact CG1-CG2 4.14Å; V852-T858 WeakPolarHBondContact O-CA 3.02Å; V852-A859 PolarHBondContact N-O 3.43Å; V852-A859 PolarHBondContact O-N 3.44Å; V852-A861 HydrophobicContact CG2-CB 3.98Å
853	T	88.8	Confident	90.3	Very high	58 Å²	58	28.7 Å²	28.7	36%	0.356	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	120.3	-179.7	64.8	0	0	0	0	111.2	E126 T858	E126-T853 WeakPolarHBondContact CG-O 3.42Å; E126-T853 PolarHBondContact OE1-N 2.97Å; E126-T853 PolarHBondContact OE1-OG1 3.28Å; T853-T858 HydrophobicContact CG2-CG2 3.67Å
854	V	86.8	Confident	90.7	Very high	48 Å²	48	28.5 Å²	28.5	29%	0.291	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	112.2	177.2	-170.1	0	0	0	0	109	M131 V852 K856 K857	M131-V854 HydrophobicContact CG-CB 3.54Å; M131-V854 HydrophobicContact CG-CG1 4.4Å; M131-V854 HydrophobicContact CG-CG2 3.61Å; M131-V854 HydrophobicContact SD-CB 4.37Å; M131-V854 HydrophobicContact SD-CG2 3.91Å; V852-V854 HydrophobicContact CG1-CG2 4.14Å; V854-K856 PolarHBondContact O-N 2.93Å; V854-K856 VanDerWaalsContact O-N 3.09Å; V854-K857 PolarHBondContact N-O 3.49Å; V854-K857 PolarHBondContact O-N 3.46Å; V854-K857 VanDerWaalsContact O-N 3.08Å
855	G	84.8	Confident	91	Very high	84 Å²	84	28.5 Å²	28.5	87%	0.866	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	-105.7	-174	0	0	0	0	0	112
856	K	84.8	Confident	91.1	Very high	211 Å²	211	28.6 Å²	28.6	92%	0.917	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.3	-2.4	175.8	-66.5	-174.5	179.2	-179.1	0	113.6	V854	V854-K856 PolarHBondContact O-N 2.93Å; V854-K856 VanDerWaalsContact O-N 3.09Å
857	K	88.3	Confident	91	Very high	63 Å²	63	28.6 Å²	28.6	27%	0.274	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	136.7	-178.4	-66.3	-174.9	166.1	-162.1	0	109.6	M131 E133 Y676 V854	M131-K857 HydrophobicContact CB-CD 4.44Å; M131-K857 HydrophobicContact CE-CB 4.22Å; M131-K857 HydrophobicContact CG-CB 4.49Å; E133-K857 IonicContact OE2-NZ 3.62Å; E133-K857 PolarHBondContact OE2-NZ 3.26Å; Y676-K857 HydrophobicContact CD1-CB 4.34Å; Y676-K857 HydrophobicContact CD1-CD 3.65Å; Y676-K857 HydrophobicContact CD1-CG 4.12Å; Y676-K857 HydrophobicContact CE1-CB 4.49Å; Y676-K857 HydrophobicContact CE1-CD 3.5Å; Y676-K857 VanDerWaalsContact CE1-CD 3.5Å; Y676-K857 HydrophobicContact CE1-CG 3.85Å; Y676-K857 HydrophobicContact CG-CB 4.34Å; Y676-K857 HydrophobicContact CG-CD 4.47Å; V854-K857 PolarHBondContact N-O 3.49Å; V854-K857 PolarHBondContact O-N 3.46Å; V854-K857 VanDerWaalsContact O-N 3.08Å
858	T	88.4	Confident	90.8	Very high	80 Å²	80	28.7 Å²	28.7	49%	0.491	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	131.1	-176.3	61	0	0	0	0	109.9	V852 T853	V852-T858 WeakPolarHBondContact O-CA 3.02Å; T853-T858 HydrophobicContact CG2-CG2 3.67Å
859	A	89.6	Confident	90.5	Very high	6 Å²	6	29.1 Å²	29.1	5%	0.05	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	154.4	175.3	0	0	0	0	0	111.2	M131 Y676 F678 T851 V852	M131-A859 HydrophobicContact CE-CB 3.61Å; Y676-A859 WeakPolarHBondContact O-CB 3.27Å; F678-A859 HydrophobicContact CD1-CB 4.08Å; T851-A859 CarbonylContact C-O 3.56Å; T851-A859 WeakPolarHBondContact CA-O 3.46Å; T851-A859 WeakPolarHBondContact CB-O 3.17Å; V852-A859 PolarHBondContact N-O 3.43Å; V852-A859 PolarHBondContact O-N 3.44Å
860	I	90.2	Very high	90.2	Very high	18 Å²	18	29.4 Å²	29.4	9%	0.092	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.8	173.8	-65.5	178.3	0	0	0	109.3	I568 Y673 Y818 A822 A849 T851	I568-I860 HydrophobicContact CD1-CB 3.84Å; I568-I860 HydrophobicContact CD1-CD1 3.72Å; I568-I860 HydrophobicContact CD1-CG1 4.32Å; I568-I860 HydrophobicContact CD1-CG2 3.85Å; Y673-I860 HydrophobicContact CD1-CD1 3.64Å; Y673-I860 HydrophobicContact CE1-CD1 3.83Å; Y818-I860 HydrophobicContact CE1-CG2 4.46Å; A822-I860 HydrophobicContact CB-CD1 3.57Å; A849-I860 HydrophobicContact CB-CD1 4.41Å; A849-I860 HydrophobicContact CB-CG2 4.41Å; T851-I860 HydrophobicContact CG2-CG1 3.88Å
861	A	89.9	Confident	90	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-41.5	178.3	0	0	0	0	0	112.4	Y122 F678 R779 V850 V852	Y122-A861 HydrophobicContact CD1-CB 3.82Å; Y122-A861 HydrophobicContact CD2-CB 4.05Å; Y122-A861 HydrophobicContact CE1-CB 3.59Å; Y122-A861 HydrophobicContact CE2-CB 3.81Å; Y122-A861 HydrophobicContact CG-CB 4.05Å; F678-A861 HydrophobicContact CE1-CB 4.08Å; F678-A861 HydrophobicContact CZ-CB 3.82Å; R779-A861 PolarHBondContact N-O 3.48Å; R779-A861 VanDerWaalsContact N-O 3.15Å; V850-A861 PolarHBondContact O-N 3.39Å; V852-A861 HydrophobicContact CG2-CB 3.98Å
862	G	91.9	Very high	89.8	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.01	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.8	176.7	-177	0	0	0	0	0	111.9	G777 Y818 V850	G777-G862 CarbonylContact O-C 3.49Å; G777-G862 WeakPolarHBondContact O-CA 3.23Å; Y818-G862 WeakPolarHBondContact OH-CA 3.35Å; V850-G862 PolarHBondContact N-O 3.18Å; V850-G862 PolarHBondContact O-N 2.57Å
863	A	94.7	Very high	89.8	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	144.9	168.8	0	0	0	0	0	109.4	G777 W817 Y818 A821 T848	G777-A863 PolarHBondContact N-O 3.1Å; G777-A863 PolarHBondContact O-N 3.42Å; W817-A863 HydrophobicContact CE3-CB 4.11Å; W817-A863 HydrophobicContact CZ3-CB 3.78Å; Y818-A863 HydrophobicContact CD1-CB 4.43Å; Y818-A863 HydrophobicContact CD2-CB 3.85Å; Y818-A863 HydrophobicContact CE2-CB 4.24Å; Y818-A863 HydrophobicContact CG-CB 3.96Å; A821-A863 HydrophobicContact CB-CB 3.99Å; T848-A863 WeakPolarHBondContact O-CA 3.37Å
864	V	95.3	Very high	89.9	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	143.1	-177.8	66.9	0	0	0	0	108.9	S113 A115 L118 F775 L776 A847 T848 V850	S113-V864 WeakPolarHBondContact O-CG2 3.29Å; A115-V864 HydrophobicContact CB-CG1 3.57Å; L118-V864 HydrophobicContact CD2-CB 4.23Å; L118-V864 HydrophobicContact CD2-CG1 4.48Å; F775-V864 WeakPolarHBondContact O-CA 3.46Å; F775-V864 WeakPolarHBondContact O-CG2 3.34Å; L776-V864 HydrophobicContact CB-CG2 4.33Å; L776-V864 HydrophobicContact CD1-CG2 4.48Å; A847-V864 WeakPolarHBondContact CA-O 3.36Å; T848-V864 HydrophobicContact CG2-CG1 3.83Å; T848-V864 PolarHBondContact N-O 3.38Å; T848-V864 PolarHBondContact O-N 2.83Å; V850-V864 HydrophobicContact CG2-CG1 4.21Å
865	G	95	Very high	89.9	Confident	0 Å²	0	32 Å²	32	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	174.5	-174	0	0	0	0	0	114.4	F775 G846	F775-G865 PolarHBondContact N-O 2.85Å; F775-G865 PolarHBondContact O-N 2.91Å; G846-G865 CarbonylContact O-C 3.57Å; G846-G865 WeakPolarHBondContact O-CA 3.41Å
866	V	93.7	Very high	90.1	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	135.3	-179	59	0	0	0	0	110	V771 T773 G846 M868	V771-V866 HydrophobicContact CG1-CG2 3.53Å; T773-V866 WeakPolarHBondContact O-CA 3.36Å; G846-V866 PolarHBondContact N-O 3.17Å; G846-V866 PolarHBondContact O-N 3.05Å; V866-M868 HydrophobicContact CG1-CE 3.64Å
867	Q	91.5	Very high	90.4	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.7	170.3	174.5	-172.6	-7	0	0	108.7	E772 T773 F799 I843	E772-Q867 HydrophobicContact CB-CG 4.22Å; E772-Q867 PolarHBondContact N-O 2.82Å; E772-Q867 PolarHBondContact OE2-NE2 2.73Å; T773-Q867 PolarHBondContact N-O 2.85Å; T773-Q867 PolarHBondContact O-N 2.81Å; T773-Q867 PolarHBondContact OG1-OE1 2.76Å; T773-Q867 VanDerWaalsContact OG1-OE1 3.11Å; F799-Q867 HydrophobicContact CD1-CB 4.48Å; F799-Q867 HydrophobicContact CE1-CB 4.4Å; I843-Q867 HydrophobicContact CB-CG 4.4Å; I843-Q867 HydrophobicContact CD1-CG 4.26Å
868	M	90.4	Very high	90.4	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	152.6	176.7	61.8	-168.7	78.1	0	0	110.9	L108 G770 Y831 I843 V844 V866 L873	L108-M868 HydrophobicContact CD2-SD 4.48Å; G770-M868 WeakPolarHBondContact O-CA 3.34Å; Y831-M868 HydrophobicContact CE1-CE 4.36Å; I843-M868 CarbonylContact C-O 3.59Å; I843-M868 WeakPolarHBondContact CA-O 3.41Å; V844-M868 HydrophobicContact CB-CG 4.15Å; V844-M868 PolarHBondContact N-O 2.88Å; V844-M868 PolarHBondContact O-N 3.24Å; V866-M868 HydrophobicContact CG1-CE 3.64Å; M868-L873 HydrophobicContact CG-CD1 4.2Å; M868-L873 HydrophobicContact CG-CG 4.36Å; M868-L873 HydrophobicContact SD-CD1 3.73Å; M868-L873 HydrophobicContact SD-CD2 3.6Å; M868-L873 VanDerWaalsContact SD-CD2 3.6Å; M868-L873 HydrophobicContact SD-CG 3.67Å
869	T	89.1	Confident	90.4	Very high	13 Å²	13	23 Å²	23	8%	0.08	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	151	170.7	68.4	0	0	0	0	110.2	G770 E772 V795 E871 V872	G770-T869 PolarHBondContact O-N 2.96Å; E772-T869 HydrophobicContact CG-CG2 3.98Å; V795-T869 HydrophobicContact CB-CG2 4.37Å; V795-T869 HydrophobicContact CG2-CG2 3.85Å; T869-E871 PolarHBondContact O-N 3.49Å; T869-E871 VanDerWaalsContact O-N 3.17Å; T869-V872 PolarHBondContact O-N 3.33Å
870	L	88.3	Confident	90.3	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.042	12%	0.124	C	C	.	.	H	α-helix	trans	-57.5	-28.3	175.7	177.6	59.4	0	0	0	112.6	M833 R842 V844 V872 L873 E874 L917 I918 A925	M833-L870 HydrophobicContact CE-CD1 4.36Å; M833-L870 HydrophobicContact CE-CD2 4.31Å; R842-L870 HydrophobicContact CB-CB 4.11Å; R842-L870 HydrophobicContact CB-CD2 3.9Å; R842-L870 WeakPolarHBondContact O-CB 3.49Å; R842-L870 PolarHBondContact O-N 2.88Å; V844-L870 HydrophobicContact CG2-CD1 4.4Å; L870-V872 PolarHBondContact O-N 3.49Å; L870-L873 PolarHBondContact O-N 3.2Å; L870-E874 HydrophobicContact CD1-CG 4.15Å; L870-E874 WeakPolarHBondContact CD2-OE1 3.38Å; L870-E874 HydrophobicContact CG-CG 4.02Å; L870-E874 WeakPolarHBondContact CG-OE1 3.12Å; L870-E874 WeakPolarHBondContact O-CG 3.25Å; L870-E874 PolarHBondContact O-N 2.69Å; L870-L917 WeakPolarHBondContact CD1-O 3.39Å; L870-I918 HydrophobicContact CD1-CG1 4.46Å; L870-A925 HydrophobicContact CD2-CB 4.14Å
871	E	87.4	Confident	90.1	Very high	106 Å²	106	23 Å²	23	50%	0.495	12%	0.12	S	C	.	.	H	α-helix	trans	-68.2	-30.9	-174.9	-49.5	-161.8	117.1	0	0	113.5	T869 S875 R922	T869-E871 PolarHBondContact O-N 3.49Å; T869-E871 VanDerWaalsContact O-N 3.17Å; E871-S875 WeakPolarHBondContact O-CB 3.37Å; E871-S875 PolarHBondContact O-N 2.97Å; E871-S875 PolarHBondContact O-OG 2.84Å; E871-R922 IonicContact OE1-CZ 2.71Å; E871-R922 IonicContact OE1-NH1 2.61Å; E871-R922 PolarHBondContact OE1-NH1 2.95Å; E871-R922 IonicContact OE1-NH2 3.66Å; E871-R922 PolarHBondContact OE1-NH2 3.07Å
872	V	88.4	Confident	89.8	Confident	6 Å²	6	24.3 Å²	24.3	4%	0.036	13%	0.131	C	C	.	.	H	α-helix	trans	-66.2	-41.4	174.1	-174	0	0	0	0	110.9	L108 D769 T869 L870 S875 K876	L108-V872 HydrophobicContact CD2-CG1 4.13Å; D769-V872 VanDerWaalsContact O-CG2 3.25Å; D769-V872 WeakPolarHBondContact O-CG2 3.41Å; T869-V872 PolarHBondContact O-N 3.33Å; L870-V872 PolarHBondContact O-N 3.49Å; V872-S875 PolarHBondContact O-OG 3.5Å; V872-S875 VanDerWaalsContact O-OG 3.05Å; V872-K876 HydrophobicContact CG1-CD 4.45Å; V872-K876 WeakPolarHBondContact O-CG 3.5Å; V872-K876 PolarHBondContact O-N 3.5Å
873	L	89.3	Confident	89.1	Confident	7 Å²	7	25.8 Å²	25.8	4%	0.037	14%	0.137	C	C	.	.	H	α-helix	trans	-72.6	-43.7	178.9	-67.1	178.7	0	0	0	111.5	I105 V844 M868 L870 S875 F877 I918	I105-L873 HydrophobicContact CD1-CD1 4.48Å; I105-L873 HydrophobicContact CD1-CD2 3.45Å; I105-L873 VanDerWaalsContact CD1-CD2 3.45Å; I105-L873 HydrophobicContact CG1-CD2 3.66Å; V844-L873 HydrophobicContact CB-CD1 3.76Å; V844-L873 HydrophobicContact CG1-CD1 3.76Å; V844-L873 HydrophobicContact CG2-CD1 3.83Å; M868-L873 HydrophobicContact CG-CD1 4.2Å; M868-L873 HydrophobicContact CG-CG 4.36Å; M868-L873 HydrophobicContact SD-CD1 3.73Å; M868-L873 HydrophobicContact SD-CD2 3.6Å; M868-L873 VanDerWaalsContact SD-CD2 3.6Å; M868-L873 HydrophobicContact SD-CG 3.67Å; L870-L873 PolarHBondContact O-N 3.2Å; L873-S875 PolarHBondContact O-N 3.26Å; L873-F877 WeakPolarHBondContact O-CB 3.3Å; L873-F877 PolarHBondContact O-N 3.11Å; L873-I918 HydrophobicContact CB-CD1 4.08Å
874	E	89.3	Confident	88.1	Confident	6 Å²	6	30.1 Å²	30.1	3%	0.028	17%	0.166	C	C	.	.	H	α-helix	trans	-58.1	-44.5	174.6	-77.5	-179.8	-178	0	0	112	L870 R878 I918 R922	L870-E874 HydrophobicContact CD1-CG 4.15Å; L870-E874 WeakPolarHBondContact CD2-OE1 3.38Å; L870-E874 HydrophobicContact CG-CG 4.02Å; L870-E874 WeakPolarHBondContact CG-OE1 3.12Å; L870-E874 WeakPolarHBondContact O-CG 3.25Å; L870-E874 PolarHBondContact O-N 2.69Å; E874-R878 WeakPolarHBondContact O-CB 3.43Å; E874-R878 VanDerWaalsContact O-CG 3.25Å; E874-R878 WeakPolarHBondContact O-CG 3.36Å; E874-R878 PolarHBondContact O-N 3.49Å; E874-I918 HydrophobicContact CG-CG2 4.32Å; E874-R922 WeakPolarHBondContact OE1-CG 3.35Å; E874-R922 IonicContact OE1-NE 3.69Å; E874-R922 IonicContact OE2-CZ 3.77Å; E874-R922 VanDerWaalsContact OE2-CZ 3.27Å; E874-R922 IonicContact OE2-NE 3.72Å; E874-R922 PolarHBondContact OE2-NE 3.19Å; E874-R922 IonicContact OE2-NH2 2.98Å; E874-R922 PolarHBondContact OE2-NH2 2.93Å
875	S	88.8	Confident	86.7	Confident	60 Å²	60	35.9 Å²	35.9	42%	0.42	20%	0.197	S	C	.	.	H	α-helix	trans	-69.9	-45.8	-177.1	52.2	0	0	0	0	113.1	E871 V872 L873 R878 T879	E871-S875 WeakPolarHBondContact O-CB 3.37Å; E871-S875 PolarHBondContact O-N 2.97Å; E871-S875 PolarHBondContact O-OG 2.84Å; V872-S875 PolarHBondContact O-OG 3.5Å; V872-S875 VanDerWaalsContact O-OG 3.05Å; L873-S875 PolarHBondContact O-N 3.26Å; S875-R878 PolarHBondContact O-N 3.18Å; S875-T879 WeakPolarHBondContact O-CB 3.44Å; S875-T879 PolarHBondContact O-N 2.89Å; S875-T879 VanDerWaalsContact O-N 3.11Å; S875-T879 PolarHBondContact O-OG1 2.81Å
876	K	89.1	Confident	85.2	Confident	46 Å²	46	43.7 Å²	43.7	20%	0.2	24%	0.238	C	C	.	.	H	α-helix	trans	-62.5	-43.9	172.7	-66.2	-177.7	-167.1	-72.7	0	111.4	L108 D768 V872 R878 T879 I880	L108-K876 HydrophobicContact CD2-CD 4.5Å; D768-K876 WeakPolarHBondContact OD1-CE 2.98Å; D768-K876 IonicContact OD1-NZ 1.93Å; D768-K876 PolarHBondContact OD1-NZ 3.5Å; V872-K876 HydrophobicContact CG1-CD 4.45Å; V872-K876 WeakPolarHBondContact O-CG 3.5Å; V872-K876 PolarHBondContact O-N 3.5Å; K876-R878 PolarHBondContact O-N 3.44Å; K876-T879 PolarHBondContact O-N 2.98Å; K876-I880 WeakPolarHBondContact O-CG1 3.36Å; K876-I880 PolarHBondContact O-N 3.27Å; K876-I880 VanDerWaalsContact O-N 3.12Å
877	F	90.8	Very high	83.9	Confident	5 Å²	5	45.7 Å²	45.7	2%	0.022	25%	0.251	C	S	.	.	H	α-helix	trans	-57.7	-49.9	176.3	-179.6	-91.5	0	0	0	112.6	F101 L873 T879 I880 A881 C900 C907 V909 I918 M1064	F101-F877 HydrophobicContact CD1-CD2 4.49Å; F101-F877 HydrophobicContact CD2-CB 4.1Å; F101-F877 HydrophobicContact CD2-CD2 4.11Å; F101-F877 HydrophobicContact CE1-CD2 4.45Å; F101-F877 HydrophobicContact CE2-CB 3.69Å; F101-F877 HydrophobicContact CE2-CD2 4.08Å; F101-F877 HydrophobicContact CE2-CG 4.41Å; F101-F877 HydrophobicContact CG-CD2 4.31Å; F101-F877 HydrophobicContact CZ-CB 4.34Å; F101-F877 HydrophobicContact CZ-CD2 4.25Å; L873-F877 WeakPolarHBondContact O-CB 3.3Å; L873-F877 PolarHBondContact O-N 3.11Å; F877-T879 VanDerWaalsContact C-N 3.26Å; F877-T879 PolarHBondContact O-N 3.09Å; F877-I880 PolarHBondContact O-N 3.16Å; F877-A881 HydrophobicContact CD1-CB 4.32Å; F877-A881 HydrophobicContact CE1-CB 3.99Å; F877-A881 HydrophobicContact CZ-CB 4.16Å; F877-A881 VanDerWaalsContact O-CB 3.24Å; F877-A881 WeakPolarHBondContact O-CB 3.36Å; F877-A881 PolarHBondContact O-N 3.05Å; F877-C900 HydrophobicContact CE1-CB 4.24Å; F877-C907 HydrophobicContact CE1-CB 4Å; F877-C907 HydrophobicContact CZ-CB 3.96Å; F877-V909 HydrophobicContact CD2-CG2 3.68Å; F877-V909 HydrophobicContact CE2-CG2 3.27Å; F877-V909 HydrophobicContact CZ-CG2 4.01Å; F877-I918 HydrophobicContact CB-CD1 3.8Å; F877-I918 HydrophobicContact CD1-CG2 3.98Å; F877-I918 HydrophobicContact CD2-CD1 4.09Å; F877-I918 HydrophobicContact CE1-CG2 4.36Å; F877-I918 HydrophobicContact CG-CD1 3.98Å; F877-I918 HydrophobicContact CG-CG2 4.21Å; F877-M1064 HydrophobicContact CD2-CE 4.32Å; F877-M1064 HydrophobicContact CE2-CE 3.59Å; F877-M1064 HydrophobicContact CZ-CE 4.38Å
878	R	87.8	Confident	82.4	Confident	88 Å²	88	51.5 Å²	51.5	33%	0.332	28%	0.282	S	S	.	.	H	α-helix	trans	-62.2	-32.5	178.1	-73.6	173.5	-166.4	-112.2	6.9	113.2	E874 S875 K876 A882 D901	E874-R878 WeakPolarHBondContact O-CB 3.43Å; E874-R878 VanDerWaalsContact O-CG 3.25Å; E874-R878 WeakPolarHBondContact O-CG 3.36Å; E874-R878 PolarHBondContact O-N 3.49Å; S875-R878 PolarHBondContact O-N 3.18Å; K876-R878 PolarHBondContact O-N 3.44Å; R878-A882 WeakPolarHBondContact O-CB 3.45Å; R878-D901 IonicContact CZ-OD1 3.12Å; R878-D901 IonicContact NE-OD1 2.71Å; R878-D901 IonicContact NH1-OD1 3.83Å; R878-D901 PolarHBondContact NH1-OD1 2.86Å
879	T	87.9	Confident	81.2	Confident	111 Å²	111	53.3 Å²	53.3	68%	0.681	29%	0.294	S	S	*	.	H	α-helix	trans	-69.7	-37.4	178.7	-54.8	0	0	0	0	111.4	S875 K876 F877	S875-T879 WeakPolarHBondContact O-CB 3.44Å; S875-T879 PolarHBondContact O-N 2.89Å; S875-T879 VanDerWaalsContact O-N 3.11Å; S875-T879 PolarHBondContact O-OG1 2.81Å; K876-T879 PolarHBondContact O-N 2.98Å; F877-T879 VanDerWaalsContact C-N 3.26Å; F877-T879 PolarHBondContact O-N 3.09Å
880	I	88.1	Confident	79.8	Confident	22 Å²	22	57.5 Å²	57.5	11%	0.113	32%	0.324	C	S	.	.	H	α-helix	trans	-78.8	-42.4	176.6	-63.6	173.1	0	0	0	111.5	W97 F101 E104 K876 F877 A882	W97-I880 HydrophobicContact CB-CG2 4.31Å; W97-I880 VanDerWaalsContact CD1-O 3.28Å; W97-I880 PolarHBondContact NE1-O 3.16Å; F101-I880 VanDerWaalsContact CA-CD1 3.49Å; F101-I880 HydrophobicContact CB-CD1 3.86Å; F101-I880 HydrophobicContact CD2-CD1 4.08Å; F101-I880 HydrophobicContact CG-CD1 4.48Å; E104-I880 HydrophobicContact CB-CD1 4.41Å; E104-I880 HydrophobicContact CG-CD1 4.24Å; E104-I880 WeakPolarHBondContact OE1-CD1 3.29Å; K876-I880 WeakPolarHBondContact O-CG1 3.36Å; K876-I880 PolarHBondContact O-N 3.27Å; K876-I880 VanDerWaalsContact O-N 3.12Å; F877-I880 PolarHBondContact O-N 3.16Å; I880-A882 PolarHBondContact O-N 2.95Å; I880-A882 VanDerWaalsContact O-N 3.08Å
881	A	85.4	Confident	78.3	Confident	1 Å²	1	62.1 Å²	62.1	1%	0.008	36%	0.357	C	S	.	.	S	Bend	trans	-87	37.5	-173.6	0	0	0	0	0	113.4	W97 F877 C900	W97-A881 HydrophobicContact CD2-CB 4.17Å; W97-A881 HydrophobicContact CE3-CB 4.05Å; W97-A881 HydrophobicContact CZ3-CB 4.23Å; F877-A881 HydrophobicContact CD1-CB 4.32Å; F877-A881 HydrophobicContact CE1-CB 3.99Å; F877-A881 HydrophobicContact CZ-CB 4.16Å; F877-A881 VanDerWaalsContact O-CB 3.24Å; F877-A881 WeakPolarHBondContact O-CB 3.36Å; F877-A881 PolarHBondContact O-N 3.05Å; A881-C900 HydrophobicContact CB-CB 4.13Å; A881-C900 WeakPolarHBondContact CB-SG 3.5Å; A881-C900 PolarHBondContact O-N 2.86Å
882	A	83.5	Confident	77	Confident	28 Å²	28	60.6 Å²	60.6	23%	0.231	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-138.4	114.1	175.2	0	0	0	0	0	109.9	R878 I880 R899	R878-A882 WeakPolarHBondContact O-CB 3.45Å; I880-A882 PolarHBondContact O-N 2.95Å; I880-A882 VanDerWaalsContact O-N 3.08Å; A882-R899 HydrophobicContact CB-CG 4.12Å
883	Q	76.8	Confident	75.2	Confident	31 Å²	31	67.7 Å²	67.7	15%	0.145	38%	0.384	C	S	.	.			trans	-68.7	139.7	168.8	-77.3	175.4	-25.8	0	0	110.3	W97 T887 P897 L898	W97-Q883 HydrophobicContact CZ2-CG 4.3Å; Q883-T887 HydrophobicContact CB-CG2 4.14Å; Q883-T887 HydrophobicContact CG-CG2 4.47Å; Q883-P897 HydrophobicContact CB-CB 3.79Å; Q883-L898 PolarHBondContact N-O 2.99Å
884	P	74.5	Confident	73.8	Confident	92 Å²	92	69 Å²	69	60%	0.597	40%	0.399	S	S	*	.			trans	-67.5	147.4	175.3	27.9	-32.8	0	0	0	110.5	D886 T887	P884-D886 PolarHBondContact O-N 2.97Å; P884-T887 HydrophobicContact CG-CG2 4.04Å; P884-T887 PolarHBondContact O-N 2.95Å; P884-T887 VanDerWaalsContact O-N 3.1Å; P884-T887 PolarHBondContact O-OG1 2.89Å; P884-T887 VanDerWaalsContact O-OG1 3.11Å
885	N	66.3	Low	72.6	Confident	121 Å²	121	70.4 Å²	70.4	65%	0.647	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-19.7	-174.4	-64.8	-7.1	0	0	0	114.2	T887	N885-T887 VanDerWaalsContact C-N 3.32Å
886	D	62.1	Low	71.5	Confident	164 Å²	164	69.2 Å²	69.2	88%	0.877	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	10.6	178.1	-66.9	-30.1	0	0	0	113.6	P884 D888	P884-D886 PolarHBondContact O-N 2.97Å; D886-D888 PolarHBondContact O-N 2.83Å
887	T	67.1	Low	70.6	Confident	43 Å²	43	69.1 Å²	69.1	26%	0.264	40%	0.403	S	S	.	.			trans	-63.2	129.2	172.3	43.1	0	0	0	0	111.5	Q883 P884 N885 C889	Q883-T887 HydrophobicContact CB-CG2 4.14Å; Q883-T887 HydrophobicContact CG-CG2 4.47Å; P884-T887 HydrophobicContact CG-CG2 4.04Å; P884-T887 PolarHBondContact O-N 2.95Å; P884-T887 VanDerWaalsContact O-N 3.1Å; P884-T887 PolarHBondContact O-OG1 2.89Å; P884-T887 VanDerWaalsContact O-OG1 3.11Å; N885-T887 VanDerWaalsContact C-N 3.32Å; T887-C889 VanDerWaalsContact C-N 3.34Å; T887-C889 PolarHBondContact O-N 3.41Å; T887-C889 PolarHBondContact O-SG 3.27Å
888	D	60.4	Low	69.9	Low	123 Å²	123	69.1 Å²	69.1	66%	0.658	40%	0.403	S	S	*	.			trans	-70.7	87.1	174.6	-173.6	1.5	0	0	0	111.4	D886 S890	D886-D888 PolarHBondContact O-N 2.83Å; D888-S890 PolarHBondContact O-N 3.04Å; D888-S890 WeakPolarHBondContact OD1-CB 3.14Å; D888-S890 PolarHBondContact OD1-N 3Å; D888-S890 VanDerWaalsContact OD1-N 3.11Å; D888-S890 PolarHBondContact OD1-OG 2.84Å
889	C	64.1	Low	69.6	Low	38 Å²	38	69.3 Å²	69.3	26%	0.257	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-75.5	3.7	177.4	-59.3	0	0	0	0	113.6	T887 S891 I892 C896	T887-C889 VanDerWaalsContact C-N 3.34Å; T887-C889 PolarHBondContact O-N 3.41Å; T887-C889 PolarHBondContact O-SG 3.27Å; C889-S891 PolarHBondContact O-N 2.82Å; C889-S891 VanDerWaalsContact O-N 3.12Å; C889-I892 PolarHBondContact O-N 2.82Å; C889-C896 HydrophobicContact CB-CB 3.67Å; C889-C896 WeakPolarHBondContact CB-SG 3.07Å; C889-C896 VanDerWaalsContact SG-C 3.59Å; C889-C896 WeakPolarHBondContact SG-CB 3.32Å; C889-C896 CovalentContact SG-SG 2.04Å; C889-C896 PolarHBondContact SG-SG 3.44Å
890	S	60.8	Low	69.4	Low	102 Å²	102	64.4 Å²	64.4	71%	0.713	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-65.6	-17	-170.8	65	0	0	0	0	115.3	D888	D888-S890 PolarHBondContact O-N 3.04Å; D888-S890 WeakPolarHBondContact OD1-CB 3.14Å; D888-S890 PolarHBondContact OD1-N 3Å; D888-S890 VanDerWaalsContact OD1-N 3.11Å; D888-S890 PolarHBondContact OD1-OG 2.84Å
891	S	56.6	Low	69	Low	104 Å²	104	66 Å²	66	73%	0.727	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-106.5	0.5	-177.6	57.1	0	0	0	0	114.5	C889	C889-S891 PolarHBondContact O-N 2.82Å; C889-S891 VanDerWaalsContact O-N 3.12Å
892	I	59.6	Low	68.7	Low	74 Å²	74	67.3 Å²	67.3	38%	0.379	39%	0.392	S	S	.	.			trans	-119.7	107.5	-172.6	-58.1	174.8	0	0	0	109.9	C889 G894	C889-I892 PolarHBondContact O-N 2.82Å; I892-G894 VanDerWaalsContact C-N 3.32Å; I892-G894 PolarHBondContact O-N 3.26Å
893	E	51.1	Low	68.5	Low	156 Å²	156	74.6 Å²	74.6	73%	0.729	42%	0.419	S	S	*	.			trans	-75.4	81.4	169	-68.7	-169.9	162.3	0	0	110.3	Q86	Q86-E893 PolarHBondContact NE2-OE2 3.09Å
894	G	60.8	Low	68.7	Low	34 Å²	34	76.5 Å²	76.5	35%	0.351	43%	0.43	S	S	.	.	S	Bend	trans	-167.6	-173	-177.4	0	0	0	0	0	113.6	I892 C896	I892-G894 VanDerWaalsContact C-N 3.32Å; I892-G894 PolarHBondContact O-N 3.26Å; G894-C896 PolarHBondContact O-N 3.34Å
895	V	62.3	Low	69.2	Low	35 Å²	35	72.1 Å²	72.1	21%	0.212	40%	0.402	C	S	.	.			trans	-73.6	119.6	170.6	180	0	0	0	0	107.6	K88 L898 D904	K88-V895 PolarHBondContact O-N 2.84Å; V895-L898 HydrophobicContact CB-CD2 4.11Å; V895-L898 HydrophobicContact CG1-CD2 4.26Å; V895-L898 VanDerWaalsContact O-CD2 3.28Å; V895-L898 WeakPolarHBondContact O-CD2 3.45Å; V895-L898 WeakPolarHBondContact O-CG 3.47Å; V895-D904 HydrophobicContact CG1-CB 4.03Å; V895-D904 HydrophobicContact CG2-CB 4.47Å
896	C	66.3	Low	70.3	Confident	35 Å²	35	69 Å²	69	24%	0.236	38%	0.383	C	S	.	.			trans	-153.9	134.6	-179.3	-173	0	0	0	0	109.6	C889 G894	C889-C896 HydrophobicContact CB-CB 3.67Å; C889-C896 WeakPolarHBondContact CB-SG 3.07Å; C889-C896 VanDerWaalsContact SG-C 3.59Å; C889-C896 WeakPolarHBondContact SG-CB 3.32Å; C889-C896 CovalentContact SG-SG 2.04Å; C889-C896 PolarHBondContact SG-SG 3.44Å; G894-C896 PolarHBondContact O-N 3.34Å
897	P	69.6	Low	71.7	Confident	45 Å²	45	61.3 Å²	61.3	29%	0.292	34%	0.342	S	S	.	.	S	Bend	cis	-71.1	137.5	-2.9	29.6	-35.3	0	0	0	112.9	Q883 R899	Q883-P897 HydrophobicContact CB-CB 3.79Å; P897-R899 PolarHBondContact O-N 3.49Å
898	L	76.8	Confident	73	Confident	4 Å²	4	59.9 Å²	59.9	2%	0.021	33%	0.332	C	S	.	.			trans	-74.3	124.1	176.5	-67.4	152.6	0	0	0	110.1	P90 T93 W97 Q883 V895 I905	P90-L898 HydrophobicContact CG-CD1 3.52Å; T93-L898 HydrophobicContact CG2-CD1 4.17Å; W97-L898 HydrophobicContact CH2-CB 3.65Å; W97-L898 HydrophobicContact CZ2-CB 4.01Å; W97-L898 WeakPolarHBondContact CZ2-O 3.38Å; Q883-L898 PolarHBondContact N-O 2.99Å; V895-L898 HydrophobicContact CB-CD2 4.11Å; V895-L898 HydrophobicContact CG1-CD2 4.26Å; V895-L898 VanDerWaalsContact O-CD2 3.28Å; V895-L898 WeakPolarHBondContact O-CD2 3.45Å; V895-L898 WeakPolarHBondContact O-CG 3.47Å; L898-I905 HydrophobicContact CB-CD1 4.37Å; L898-I905 HydrophobicContact CD2-CD1 4.1Å; L898-I905 HydrophobicContact CD2-CG2 4.48Å
899	R	82.3	Confident	74.6	Confident	93 Å²	93	54 Å²	54	35%	0.351	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-141.6	122.5	178.5	-64.5	-174.3	58.2	169.2	-3.6	110.7	A882 P897 D901 S902	A882-R899 HydrophobicContact CB-CG 4.12Å; P897-R899 PolarHBondContact O-N 3.49Å; R899-D901 IonicContact NH2-OD2 3.68Å; R899-D901 PolarHBondContact O-N 3.26Å; R899-S902 WeakPolarHBondContact O-CB 3.36Å; R899-S902 PolarHBondContact O-N 2.81Å; R899-S902 PolarHBondContact O-OG 2.92Å
900	C	83.6	Confident	76	Confident	8 Å²	8	52.2 Å²	52.2	5%	0.054	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-6.9	178	-68.5	0	0	0	0	115	F877 A881 C907	F877-C900 HydrophobicContact CE1-CB 4.24Å; A881-C900 HydrophobicContact CB-CB 4.13Å; A881-C900 WeakPolarHBondContact CB-SG 3.5Å; A881-C900 PolarHBondContact O-N 2.86Å; C900-C907 VanDerWaalsContact CA-SG 3.51Å; C900-C907 HydrophobicContact CB-CB 3.54Å; C900-C907 WeakPolarHBondContact CB-SG 3.49Å; C900-C907 WeakPolarHBondContact SG-CB 3.28Å; C900-C907 CovalentContact SG-SG 2.02Å; C900-C907 PolarHBondContact SG-SG 3.01Å
901	D	78.6	Confident	77.5	Confident	55 Å²	55	47.4 Å²	47.4	29%	0.294	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-23.3	169.6	-64.6	-47.1	0	0	0	113.1	R878 R899 K920	R878-D901 IonicContact CZ-OD1 3.12Å; R878-D901 IonicContact NE-OD1 2.71Å; R878-D901 IonicContact NH1-OD1 3.83Å; R878-D901 PolarHBondContact NH1-OD1 2.86Å; R899-D901 IonicContact NH2-OD2 3.68Å; R899-D901 PolarHBondContact O-N 3.26Å; D901-K920 PolarHBondContact O-NZ 3.18Å
902	S	80.3	Confident	79.1	Confident	28 Å²	28	44 Å²	44	20%	0.196	23%	0.228	C	C	.	.	S	Bend	trans	-70.9	173	-174.6	92	0	0	0	0	112.3	R899 D904 K920	R899-S902 WeakPolarHBondContact O-CB 3.36Å; R899-S902 PolarHBondContact O-N 2.81Å; R899-S902 PolarHBondContact O-OG 2.92Å; S902-D904 WeakPolarHBondContact CB-OD2 3.37Å; S902-D904 PolarHBondContact OG-N 3.45Å; S902-D904 PolarHBondContact OG-OD2 3.43Å; S902-K920 PolarHBondContact O-NZ 3.43Å
903	F	78.5	Confident	80.5	Confident	182 Å²	182	40.6 Å²	40.6	80%	0.798	21%	0.211	S	C	*	.	S	Bend	trans	-90.3	-12.7	178.6	-69.5	-80.1	0	0	0	113.2
904	D	80.3	Confident	82.4	Confident	70 Å²	70	33.2 Å²	33.2	37%	0.374	18%	0.177	S	C	.	.	S	Bend	trans	-77.3	-29.7	-174.4	-34.3	-84.7	0	0	0	111.8	V895 S902 G1069	V895-D904 HydrophobicContact CG1-CB 4.03Å; V895-D904 HydrophobicContact CG2-CB 4.47Å; S902-D904 WeakPolarHBondContact CB-OD2 3.37Å; S902-D904 PolarHBondContact OG-N 3.45Å; S902-D904 PolarHBondContact OG-OD2 3.43Å; D904-G1069 PolarHBondContact O-N 3.39Å
905	I	86.8	Confident	83.9	Confident	1 Å²	1	32 Å²	32	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	144.2	176.6	62.5	173.2	0	0	0	112.1	I89 L898 V1066 V1067	I89-I905 HydrophobicContact CD1-CG2 4.42Å; L898-I905 HydrophobicContact CB-CD1 4.37Å; L898-I905 HydrophobicContact CD2-CD1 4.1Å; L898-I905 HydrophobicContact CD2-CG2 4.48Å; I905-V1066 HydrophobicContact CB-CG1 4.25Å; I905-V1066 HydrophobicContact CD1-CG1 4.14Å; I905-V1066 HydrophobicContact CG2-CG1 4.49Å; I905-V1067 CarbonylContact C-O 3.58Å; I905-V1067 VanDerWaalsContact CA-O 3.29Å; I905-V1067 WeakPolarHBondContact CA-O 3.41Å
906	E	88.9	Confident	85.3	Confident	54 Å²	54	30.3 Å²	30.3	25%	0.252	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.7	171.4	-61.3	-174.9	131.4	0	0	108.5	Y908 V1067	E906-Y908 HydrophobicContact CB-CE2 3.72Å; E906-V1067 PolarHBondContact N-O 2.87Å; E906-V1067 PolarHBondContact O-N 2.92Å
907	C	91.6	Very high	86.5	Confident	4 Å²	4	28.9 Å²	28.9	3%	0.027	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	131.6	-178.8	-55.3	0	0	0	0	110.9	F877 C900	F877-C907 HydrophobicContact CE1-CB 4Å; F877-C907 HydrophobicContact CZ-CB 3.96Å; C900-C907 VanDerWaalsContact CA-SG 3.51Å; C900-C907 HydrophobicContact CB-CB 3.54Å; C900-C907 WeakPolarHBondContact CB-SG 3.49Å; C900-C907 WeakPolarHBondContact SG-CB 3.28Å; C900-C907 CovalentContact SG-SG 2.02Å; C900-C907 PolarHBondContact SG-SG 3.01Å
908	Y	93.4	Very high	87.5	Confident	13 Å²	13	27.1 Å²	27.1	5%	0.051	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	145.4	179.6	-61	-86.4	0	0	0	110.1	E906 V916 I918 S919 F929 L1065 V1067	E906-Y908 HydrophobicContact CB-CE2 3.72Å; Y908-V916 HydrophobicContact CD1-CG1 4.07Å; Y908-V916 HydrophobicContact CD1-CG2 4.5Å; Y908-I918 WeakPolarHBondContact CA-O 3.13Å; Y908-S919 WeakPolarHBondContact CE1-OG 3.33Å; Y908-F929 HydrophobicContact CD1-CE2 4.37Å; Y908-F929 AromaticContact CD2-CE2 4Å; Y908-F929 HydrophobicContact CD2-CE2 4Å; Y908-F929 HydrophobicContact CE2-CE2 4.19Å; Y908-F929 HydrophobicContact CG-CD2 4.49Å; Y908-F929 HydrophobicContact CG-CE2 4.09Å; Y908-L1065 PolarHBondContact N-O 3.08Å; Y908-L1065 PolarHBondContact O-N 3.09Å; Y908-V1067 HydrophobicContact CD2-CG2 4.33Å; Y908-V1067 HydrophobicContact CE2-CG2 4.49Å
909	V	94.1	Very high	88.2	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	123	160.1	-179.3	0	0	0	0	107.1	F877 L917 I918 I1057 L1062 L1063	F877-V909 HydrophobicContact CD2-CG2 3.68Å; F877-V909 HydrophobicContact CE2-CG2 3.27Å; F877-V909 HydrophobicContact CZ-CG2 4.01Å; V909-L917 PolarHBondContact O-N 3.49Å; V909-I918 HydrophobicContact CB-CB 3.95Å; V909-I918 HydrophobicContact CB-CD1 4.32Å; V909-I918 HydrophobicContact CB-CG1 4.18Å; V909-I918 HydrophobicContact CG2-CB 4.07Å; V909-I918 HydrophobicContact CG2-CD1 4.05Å; V909-I918 HydrophobicContact CG2-CG1 4.35Å; V909-I918 PolarHBondContact N-O 3.1Å; V909-I918 PolarHBondContact O-N 3.34Å; V909-I1057 HydrophobicContact CG1-CD1 3.84Å; V909-I1057 HydrophobicContact CG2-CD1 4.37Å; V909-L1062 HydrophobicContact CG1-CB 3.98Å; V909-L1062 HydrophobicContact CG1-CD1 3.93Å; V909-L1062 HydrophobicContact CG1-CG 4.4Å; V909-L1063 WeakPolarHBondContact CA-O 3.25Å
910	I	94.2	Very high	88.3	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	149.5	-178.6	65	178.4	0	0	0	110.5	F915 V916 F929 F946 L1062 L1063	I910-F915 CarbonylContact C-O 3.59Å; I910-F915 VanDerWaalsContact CA-O 3.27Å; I910-F915 WeakPolarHBondContact CA-O 3.46Å; I910-V916 HydrophobicContact CG2-CG2 4.17Å; I910-F929 HydrophobicContact CG2-CB 4.19Å; I910-F929 HydrophobicContact CG2-CD2 4.3Å; I910-F929 HydrophobicContact CG2-CG 4.27Å; I910-F946 HydrophobicContact CD1-CE2 4.01Å; I910-F946 HydrophobicContact CD1-CZ 3.92Å; I910-L1062 WeakPolarHBondContact O-CA 3.31Å; I910-L1063 HydrophobicContact CD1-CB 4.35Å; I910-L1063 HydrophobicContact CD1-CD1 4.21Å; I910-L1063 HydrophobicContact CG1-CB 3.79Å; I910-L1063 HydrophobicContact CG1-CD1 4.3Å; I910-L1063 HydrophobicContact CG1-CG 4.43Å; I910-L1063 PolarHBondContact N-O 3.07Å; I910-L1063 PolarHBondContact O-N 2.84Å
911	D	91.9	Very high	88.4	Confident	1 Å²	1	30.8 Å²	30.8	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	169.2	170.7	79.5	2.7	0	0	0	111.9	R645 N913 G914 F915 L917 L1062	R645-D911 IonicContact CZ-OD2 3.75Å; R645-D911 VanDerWaalsContact CZ-OD2 3.3Å; R645-D911 IonicContact NE-OD2 3.71Å; R645-D911 PolarHBondContact NE-OD2 2.91Å; R645-D911 IonicContact NH2-OD2 3.93Å; R645-D911 PolarHBondContact NH2-OD2 3.39Å; D911-N913 PolarHBondContact O-N 2.79Å; D911-N913 VanDerWaalsContact OD1-C 3.3Å; D911-N913 WeakPolarHBondContact OD1-CA 3.31Å; D911-N913 WeakPolarHBondContact OD1-CB 3.45Å; D911-N913 PolarHBondContact OD1-N 2.97Å; D911-G914 PolarHBondContact O-N 3.23Å; D911-G914 PolarHBondContact OD1-N 3.02Å; D911-F915 PolarHBondContact N-O 2.89Å; D911-F915 PolarHBondContact OD1-N 3.01Å; D911-L917 HydrophobicContact CB-CD1 4.05Å; D911-L1062 HydrophobicContact CB-CD2 4.26Å
912	N	89.9	Confident	88.6	Confident	31 Å²	31	34.4 Å²	34.4	17%	0.166	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-3.2	176.2	68.3	-72.8	0	0	0	114.9	I1031 Y1032 N1061	N912-I1031 WeakPolarHBondContact O-CA 3.48Å; N912-Y1032 WeakPolarHBondContact O-CB 3.26Å; N912-Y1032 PolarHBondContact O-N 3.02Å; N912-N1061 HydrophobicContact CB-CB 4.31Å; N912-N1061 PolarHBondContact N-O 3.14Å; N912-N1061 VanDerWaalsContact N-O 3.1Å; N912-N1061 PolarHBondContact OD1-ND2 3.34Å
913	N	89.9	Confident	88.8	Confident	4 Å²	4	35.5 Å²	35.5	2%	0.021	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	4.9	172.3	-65.7	112.2	0	0	0	112.5	R645 D911 F915 F1030	R645-N913 VanDerWaalsContact CD-OD1 3.28Å; R645-N913 WeakPolarHBondContact CD-OD1 3.25Å; R645-N913 HydrophobicContact CG-CB 3.97Å; R645-N913 WeakPolarHBondContact CG-OD1 3.47Å; D911-N913 PolarHBondContact O-N 2.79Å; D911-N913 VanDerWaalsContact OD1-C 3.3Å; D911-N913 WeakPolarHBondContact OD1-CA 3.31Å; D911-N913 WeakPolarHBondContact OD1-CB 3.45Å; D911-N913 PolarHBondContact OD1-N 2.97Å; N913-F915 HydrophobicContact CB-CD2 3.96Å; N913-F915 HydrophobicContact CB-CE2 4.16Å; N913-F1030 WeakPolarHBondContact CA-O 2.9Å; N913-F1030 PolarHBondContact ND2-O 2.69Å
914	G	90.6	Very high	89.2	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	80.4	18.3	178.9	0	0	0	0	0	114.5	D911 F928 F929	D911-G914 PolarHBondContact O-N 3.23Å; D911-G914 PolarHBondContact OD1-N 3.02Å; G914-F928 WeakPolarHBondContact O-CD2 3.23Å; G914-F929 VanDerWaalsContact O-CB 3.27Å; G914-F929 WeakPolarHBondContact O-CB 3.48Å; G914-F929 PolarHBondContact O-N 3.09Å
915	F	91.6	Very high	89.5	Confident	9 Å²	9	24.3 Å²	24.3	4%	0.039	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-85.1	133.7	170.7	-69.8	-87.6	0	0	0	111.1	R644 R645 I910 D911 N913 R927 F928 L1082	R644-F915 HydrophobicContact CB-CE2 4.29Å; R644-F915 HydrophobicContact CB-CZ 3.83Å; R644-F915 HydrophobicContact CG-CZ 4.2Å; R645-F915 HydrophobicContact CG-CE2 4.11Å; I910-F915 CarbonylContact C-O 3.59Å; I910-F915 VanDerWaalsContact CA-O 3.27Å; I910-F915 WeakPolarHBondContact CA-O 3.46Å; D911-F915 PolarHBondContact N-O 2.89Å; D911-F915 PolarHBondContact OD1-N 3.01Å; N913-F915 HydrophobicContact CB-CD2 3.96Å; N913-F915 HydrophobicContact CB-CE2 4.16Å; F915-R927 WeakPolarHBondContact CA-O 3.44Å; F915-F928 HydrophobicContact CD1-CB 4.46Å; F915-F928 HydrophobicContact CE1-CB 4.24Å; F915-L1082 HydrophobicContact CE1-CD1 3.9Å; F915-L1082 HydrophobicContact CE2-CD1 4.39Å; F915-L1082 HydrophobicContact CZ-CD1 3.49Å; F915-L1082 VanDerWaalsContact CZ-CD1 3.49Å
916	V	92.1	Very high	89.4	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	130.3	177.9	-178.2	0	0	0	0	109.8	Y908 I910 I918 D924 A925 G926 R927 F929	Y908-V916 HydrophobicContact CD1-CG1 4.07Å; Y908-V916 HydrophobicContact CD1-CG2 4.5Å; I910-V916 HydrophobicContact CG2-CG2 4.17Å; V916-I918 WeakPolarHBondContact CG1-O 3.23Å; V916-D924 HydrophobicContact CG1-CB 4.45Å; V916-A925 CarbonylContact O-C 3.49Å; V916-A925 VanDerWaalsContact O-CA 3.23Å; V916-A925 WeakPolarHBondContact O-CA 3.21Å; V916-G926 PolarHBondContact O-N 3.11Å; V916-R927 PolarHBondContact N-O 2.79Å; V916-F929 HydrophobicContact CG2-CB 4.02Å; V916-F929 HydrophobicContact CG2-CD2 4Å
917	L	90.9	Very high	89.4	Confident	5 Å²	5	28.6 Å²	28.6	3%	0.026	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	-48.8	171.5	-81.3	153.2	0	0	0	110.9	M833 V844 L870 V909 D911 A925 L1062	M833-L917 HydrophobicContact CB-CD2 4.07Å; V844-L917 HydrophobicContact CG1-CD2 3.96Å; V844-L917 HydrophobicContact CG2-CD2 3.89Å; L870-L917 WeakPolarHBondContact CD1-O 3.39Å; V909-L917 PolarHBondContact O-N 3.49Å; D911-L917 HydrophobicContact CB-CD1 4.05Å; L917-A925 WeakPolarHBondContact O-CB 3.38Å; L917-L1062 HydrophobicContact CD1-CD1 4.33Å; L917-L1062 HydrophobicContact CD1-CD2 3.25Å; L917-L1062 HydrophobicContact CD1-CG 4.41Å
918	I	91.8	Very high	89.4	Confident	7 Å²	7	28.5 Å²	28.5	4%	0.036	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.5	177.7	-55.8	179.7	0	0	0	108.3	F101 L870 L873 E874 F877 Y908 V909 V916	F101-I918 HydrophobicContact CE2-CD1 4.41Å; F101-I918 HydrophobicContact CZ-CD1 3.82Å; L870-I918 HydrophobicContact CD1-CG1 4.46Å; L873-I918 HydrophobicContact CB-CD1 4.08Å; E874-I918 HydrophobicContact CG-CG2 4.32Å; F877-I918 HydrophobicContact CB-CD1 3.8Å; F877-I918 HydrophobicContact CD1-CG2 3.98Å; F877-I918 HydrophobicContact CD2-CD1 4.09Å; F877-I918 HydrophobicContact CE1-CG2 4.36Å; F877-I918 HydrophobicContact CG-CD1 3.98Å; F877-I918 HydrophobicContact CG-CG2 4.21Å; Y908-I918 WeakPolarHBondContact CA-O 3.13Å; V909-I918 HydrophobicContact CB-CB 3.95Å; V909-I918 HydrophobicContact CB-CD1 4.32Å; V909-I918 HydrophobicContact CB-CG1 4.18Å; V909-I918 HydrophobicContact CG2-CB 4.07Å; V909-I918 HydrophobicContact CG2-CD1 4.05Å; V909-I918 HydrophobicContact CG2-CG1 4.35Å; V909-I918 PolarHBondContact N-O 3.1Å; V909-I918 PolarHBondContact O-N 3.34Å; V916-I918 WeakPolarHBondContact CG1-O 3.23Å
919	S	90.6	Very high	89.3	Confident	5 Å²	5	27.9 Å²	27.9	4%	0.035	13%	0.133	C	C	.	.			trans	-145.7	157.3	171.7	168.5	0	0	0	0	108.4	Y908 Q921 D924	Y908-S919 WeakPolarHBondContact CE1-OG 3.33Å; S919-Q921 PolarHBondContact O-N 3.38Å; S919-Q921 PolarHBondContact OG-N 2.88Å; S919-Q921 PolarHBondContact OG-O 3.08Å; S919-D924 PolarHBondContact OG-OD2 3.49Å
920	K	85.3	Confident	89.2	Confident	66 Å²	66	27.9 Å²	27.9	29%	0.287	13%	0.133	S	C	.	.	S	Bend	trans	-58	-34.5	167.1	-177.6	168	172.5	166.1	0	112	D901 S902	D901-K920 PolarHBondContact O-NZ 3.18Å; S902-K920 PolarHBondContact O-NZ 3.43Å
921	Q	85.9	Confident	89	Confident	112 Å²	112	30.9 Å²	30.9	52%	0.523	15%	0.147	S	C	.	.	S	Bend	trans	-98.3	118.9	174.6	-55.6	-171	29.8	0	0	111.6	S919 S923 D924	S919-Q921 PolarHBondContact O-N 3.38Å; S919-Q921 PolarHBondContact OG-N 2.88Å; S919-Q921 PolarHBondContact OG-O 3.08Å; Q921-S923 WeakPolarHBondContact CB-OG 3.41Å; Q921-S923 PolarHBondContact O-N 3.29Å; Q921-D924 PolarHBondContact O-N 3.12Å
922	R	82.5	Confident	88.8	Confident	130 Å²	130	33 Å²	33	49%	0.491	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66	2.2	175.9	-74.1	-176.1	172.5	-170.6	-2.8	115	R842 E871 E874	R842-R922 PolarHBondContact NH1-O 3.18Å; E871-R922 IonicContact OE1-CZ 2.71Å; E871-R922 IonicContact OE1-NH1 2.61Å; E871-R922 PolarHBondContact OE1-NH1 2.95Å; E871-R922 IonicContact OE1-NH2 3.66Å; E871-R922 PolarHBondContact OE1-NH2 3.07Å; E874-R922 WeakPolarHBondContact OE1-CG 3.35Å; E874-R922 IonicContact OE1-NE 3.69Å; E874-R922 IonicContact OE2-CZ 3.77Å; E874-R922 VanDerWaalsContact OE2-CZ 3.27Å; E874-R922 IonicContact OE2-NE 3.72Å; E874-R922 PolarHBondContact OE2-NE 3.19Å; E874-R922 IonicContact OE2-NH2 2.98Å; E874-R922 PolarHBondContact OE2-NH2 2.93Å
923	S	84.8	Confident	88.8	Confident	52 Å²	52	32.2 Å²	32.2	36%	0.364	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-30.2	166.4	43.4	0	0	0	0	112.7	R842 Q921	R842-S923 VanDerWaalsContact NH1-C 3.27Å; R842-S923 PolarHBondContact NH1-O 3.35Å; R842-S923 PolarHBondContact NH2-O 3.22Å; Q921-S923 WeakPolarHBondContact CB-OG 3.41Å; Q921-S923 PolarHBondContact O-N 3.29Å
924	D	86.4	Confident	88.8	Confident	14 Å²	14	32.3 Å²	32.3	8%	0.075	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-29.6	-158.7	-58.5	-10.9	0	0	0	113.3	V916 S919 Q921 R927 T932	V916-D924 HydrophobicContact CG1-CB 4.45Å; S919-D924 PolarHBondContact OG-OD2 3.49Å; Q921-D924 PolarHBondContact O-N 3.12Å; D924-R927 WeakPolarHBondContact O-CB 3.5Å; D924-R927 VanDerWaalsContact O-CG 3.31Å; D924-R927 WeakPolarHBondContact O-CG 3.47Å; D924-R927 PolarHBondContact O-N 3.27Å; D924-T932 HydrophobicContact CB-CG2 4.05Å
925	A	87.1	Confident	88.8	Confident	2 Å²	2	32.4 Å²	32.4	2%	0.017	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	144.3	174.8	0	0	0	0	0	111.9	M833 R842 L870 V916 L917 R927	M833-A925 HydrophobicContact CE-CB 3.84Å; M833-A925 HydrophobicContact SD-CB 4.22Å; R842-A925 VanDerWaalsContact NH1-C 3.33Å; R842-A925 VanDerWaalsContact NH1-CA 3.32Å; R842-A925 VanDerWaalsContact NH1-CB 3.35Å; R842-A925 PolarHBondContact NH1-O 3.19Å; R842-A925 PolarHBondContact NH2-O 2.7Å; L870-A925 HydrophobicContact CD2-CB 4.14Å; V916-A925 CarbonylContact O-C 3.49Å; V916-A925 VanDerWaalsContact O-CA 3.23Å; V916-A925 WeakPolarHBondContact O-CA 3.21Å; L917-A925 WeakPolarHBondContact O-CB 3.38Å; A925-R927 PolarHBondContact O-N 3.05Å
926	G	84.6	Confident	88.8	Confident	23 Å²	23	32 Å²	32	24%	0.237	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	-3.6	-171.8	0	0	0	0	0	115.3	V916	V916-G926 PolarHBondContact O-N 3.11Å
927	R	88.8	Confident	88.9	Confident	122 Å²	122	32 Å²	32	46%	0.46	16%	0.157	S	C	.	.	S	Bend	trans	-89.5	158.2	166.6	-49.3	-175.2	82.3	165.5	6	109.9	F915 V916 D924 A925	F915-R927 WeakPolarHBondContact CA-O 3.44Å; V916-R927 PolarHBondContact N-O 2.79Å; D924-R927 WeakPolarHBondContact O-CB 3.5Å; D924-R927 VanDerWaalsContact O-CG 3.31Å; D924-R927 WeakPolarHBondContact O-CG 3.47Å; D924-R927 PolarHBondContact O-N 3.27Å; A925-R927 PolarHBondContact O-N 3.05Å
928	F	91.2	Very high	88.9	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.009	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-77.9	135.5	174.2	177.1	-114.6	0	0	0	110.1	G914 F915 G930 E931 M937 F1030 I1080 L1082	G914-F928 WeakPolarHBondContact O-CD2 3.23Å; F915-F928 HydrophobicContact CD1-CB 4.46Å; F915-F928 HydrophobicContact CE1-CB 4.24Å; F928-G930 PolarHBondContact O-N 3.26Å; F928-E931 HydrophobicContact CB-CG 4.35Å; F928-E931 HydrophobicContact CD1-CG 4.39Å; F928-E931 WeakPolarHBondContact O-CB 3.31Å; F928-E931 PolarHBondContact O-N 2.75Å; F928-M937 HydrophobicContact CE1-CE 4.5Å; F928-M937 HydrophobicContact CE2-CE 3.57Å; F928-M937 HydrophobicContact CZ-CE 3.41Å; F928-M937 VanDerWaalsContact CZ-CE 3.41Å; F928-M937 HydrophobicContact CZ-CG 4.22Å; F928-F1030 AromaticContact CE1-CD2 3.96Å; F928-F1030 HydrophobicContact CE1-CD2 3.96Å; F928-F1030 AromaticContact CE1-CE2 3.79Å; F928-F1030 HydrophobicContact CE1-CE2 3.79Å; F928-F1030 HydrophobicContact CE1-CZ 4.46Å; F928-F1030 HydrophobicContact CE2-CB 4.08Å; F928-F1030 AromaticContact CE2-CD2 3.54Å; F928-F1030 HydrophobicContact CE2-CD2 3.54Å; F928-F1030 HydrophobicContact CE2-CE2 4.24Å; F928-F1030 AromaticContact CE2-CG 3.96Å; F928-F1030 HydrophobicContact CE2-CG 3.96Å; F928-F1030 HydrophobicContact CZ-CB 4.27Å; F928-F1030 HydrophobicContact CZ-CD1 4.33Å; F928-F1030 AromaticContact CZ-CD2 3.15Å; F928-F1030 HydrophobicContact CZ-CD2 3.15Å; F928-F1030 AromaticContact CZ-CE2 3.44Å; F928-F1030 HydrophobicContact CZ-CE2 3.44Å; F928-F1030 VanDerWaalsContact CZ-CE2 3.44Å; F928-F1030 AromaticContact CZ-CG 3.65Å; F928-F1030 HydrophobicContact CZ-CG 3.65Å; F928-F1030 HydrophobicContact CZ-CZ 4.15Å; F928-I1080 WeakPolarHBondContact CD1-O 3.47Å; F928-I1080 HydrophobicContact CE1-CB 4.25Å; F928-I1080 HydrophobicContact CE1-CG2 4.02Å; F928-L1082 HydrophobicContact CB-CD1 3.59Å; F928-L1082 HydrophobicContact CB-CG 3.85Å; F928-L1082 HydrophobicContact CD1-CD1 4.31Å; F928-L1082 HydrophobicContact CD1-CD2 3.78Å; F928-L1082 HydrophobicContact CD1-CG 3.81Å; F928-L1082 HydrophobicContact CD2-CD1 3.91Å; F928-L1082 HydrophobicContact CD2-CD2 4.18Å; F928-L1082 HydrophobicContact CD2-CG 4.27Å; F928-L1082 HydrophobicContact CE1-CD2 3.9Å; F928-L1082 HydrophobicContact CE1-CG 4.44Å; F928-L1082 HydrophobicContact CE2-CD2 4.3Å; F928-L1082 HydrophobicContact CG-CD1 3.68Å; F928-L1082 HydrophobicContact CG-CD2 3.93Å; F928-L1082 HydrophobicContact CG-CG 3.71Å; F928-L1082 HydrophobicContact CZ-CD2 4.17Å
929	F	92.3	Very high	88.9	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.4	-29.1	-174	-179.6	-105.1	0	0	0	113.1	Y908 I910 G914 V916 E931 T932 D933 V936 M937 L1065	Y908-F929 HydrophobicContact CD1-CE2 4.37Å; Y908-F929 AromaticContact CD2-CE2 4Å; Y908-F929 HydrophobicContact CD2-CE2 4Å; Y908-F929 HydrophobicContact CE2-CE2 4.19Å; Y908-F929 HydrophobicContact CG-CD2 4.49Å; Y908-F929 HydrophobicContact CG-CE2 4.09Å; I910-F929 HydrophobicContact CG2-CB 4.19Å; I910-F929 HydrophobicContact CG2-CD2 4.3Å; I910-F929 HydrophobicContact CG2-CG 4.27Å; G914-F929 VanDerWaalsContact O-CB 3.27Å; G914-F929 WeakPolarHBondContact O-CB 3.48Å; G914-F929 PolarHBondContact O-N 3.09Å; V916-F929 HydrophobicContact CG2-CB 4.02Å; V916-F929 HydrophobicContact CG2-CD2 4Å; F929-E931 PolarHBondContact O-N 3.03Å; F929-T932 WeakPolarHBondContact CA-OG1 3.26Å; F929-T932 WeakPolarHBondContact CD2-OG1 3.4Å; F929-T932 PolarHBondContact O-N 3.41Å; F929-T932 VanDerWaalsContact O-N 3.09Å; F929-T932 PolarHBondContact O-OG1 2.98Å; F929-D933 HydrophobicContact CE1-CB 4.34Å; F929-D933 HydrophobicContact CE2-CB 4.17Å; F929-D933 HydrophobicContact CZ-CB 3.73Å; F929-D933 PolarHBondContact O-N 3.28Å; F929-V936 HydrophobicContact CE1-CB 3.86Å; F929-V936 HydrophobicContact CE1-CG1 3.84Å; F929-V936 HydrophobicContact CZ-CB 4.07Å; F929-V936 HydrophobicContact CZ-CG1 4.17Å; F929-M937 HydrophobicContact CD1-CB 4.08Å; F929-M937 HydrophobicContact CD1-CG 4.47Å; F929-M937 HydrophobicContact CD1-SD 4.1Å; F929-M937 HydrophobicContact CE1-CB 4.33Å; F929-L1065 HydrophobicContact CD1-CD2 4.15Å; F929-L1065 HydrophobicContact CD2-CD2 4.26Å; F929-L1065 HydrophobicContact CE1-CD2 3.49Å; F929-L1065 VanDerWaalsContact CE1-CD2 3.49Å; F929-L1065 HydrophobicContact CE2-CD2 3.61Å; F929-L1065 HydrophobicContact CZ-CD2 3.2Å
930	G	90.4	Very high	88.9	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-67.2	-16.7	172.4	0	0	0	0	0	114.8	F928 G934 P1079 I1080	F928-G930 PolarHBondContact O-N 3.26Å; G930-G934 WeakPolarHBondContact O-CA 3.07Å; G930-G934 PolarHBondContact O-N 2.94Å; G930-P1079 CarbonylContact O-C 3.59Å; G930-P1079 WeakPolarHBondContact O-CA 3.48Å; G930-I1080 CarbonylContact C-O 3.52Å; G930-I1080 PolarHBondContact O-N 3.02Å
931	E	89.8	Confident	89.2	Confident	63 Å²	63	32.5 Å²	32.5	29%	0.294	16%	0.164	S	C	.	.	H	α-helix	trans	-83.6	-24.6	170.5	-62.1	-174.8	173.1	0	0	112.4	F928 F929 I1080 T1081	F928-E931 HydrophobicContact CB-CG 4.35Å; F928-E931 HydrophobicContact CD1-CG 4.39Å; F928-E931 WeakPolarHBondContact O-CB 3.31Å; F928-E931 PolarHBondContact O-N 2.75Å; F929-E931 PolarHBondContact O-N 3.03Å; E931-I1080 WeakPolarHBondContact CG-O 3.47Å; E931-I1080 PolarHBondContact N-O 3.42Å; E931-T1081 HydrophobicContact CG-CG2 4.41Å
932	T	89.1	Confident	89.4	Confident	45 Å²	45	34 Å²	34	28%	0.276	17%	0.17	S	C	.	.	H	α-helix	trans	-89.3	-46.8	177.6	52.1	0	0	0	0	112	D924 F929	D924-T932 HydrophobicContact CB-CG2 4.05Å; F929-T932 WeakPolarHBondContact CA-OG1 3.26Å; F929-T932 WeakPolarHBondContact CD2-OG1 3.4Å; F929-T932 PolarHBondContact O-N 3.41Å; F929-T932 VanDerWaalsContact O-N 3.09Å; F929-T932 PolarHBondContact O-OG1 2.98Å
933	D	90.1	Very high	89.8	Confident	16 Å²	16	31.3 Å²	31.3	9%	0.086	16%	0.164	C	C	.	.			trans	-138.6	92.3	171.8	-167.6	-28.2	0	0	0	111	F929 S935 V936 M937 K1050	F929-D933 HydrophobicContact CE1-CB 4.34Å; F929-D933 HydrophobicContact CE2-CB 4.17Å; F929-D933 HydrophobicContact CZ-CB 3.73Å; F929-D933 PolarHBondContact O-N 3.28Å; D933-S935 PolarHBondContact O-N 3.43Å; D933-S935 WeakPolarHBondContact OD1-CA 3.39Å; D933-S935 VanDerWaalsContact OD1-CB 3.31Å; D933-S935 WeakPolarHBondContact OD1-CB 3.39Å; D933-S935 PolarHBondContact OD1-N 2.84Å; D933-S935 PolarHBondContact OD1-OG 3.24Å; D933-V936 PolarHBondContact OD1-N 2.8Å; D933-V936 VanDerWaalsContact OD1-N 3.09Å; D933-M937 PolarHBondContact O-N 3.49Å; D933-K1050 WeakPolarHBondContact OD2-CE 3.46Å; D933-K1050 IonicContact OD2-NZ 3.5Å; D933-K1050 PolarHBondContact OD2-NZ 3.08Å
934	G	90	Very high	90	Very high	6 Å²	6	30.6 Å²	30.6	6%	0.062	17%	0.166	C	C	.	.	H	α-helix	trans	-65.6	-20.4	174.8	0	0	0	0	0	114	G930 T938	G930-G934 WeakPolarHBondContact O-CA 3.07Å; G930-G934 PolarHBondContact O-N 2.94Å; G934-T938 VanDerWaalsContact O-CB 3.26Å; G934-T938 WeakPolarHBondContact O-CB 3.23Å; G934-T938 PolarHBondContact O-N 3.14Å; G934-T938 PolarHBondContact O-OG1 2.91Å
935	S	90.7	Very high	90.2	Very high	2 Å²	2	30 Å²	30	1%	0.014	16%	0.162	C	C	.	.	H	α-helix	trans	-73.8	-51.7	-178.8	73.9	0	0	0	0	111.3	D933 T938 T939 C1073	D933-S935 PolarHBondContact O-N 3.43Å; D933-S935 WeakPolarHBondContact OD1-CA 3.39Å; D933-S935 VanDerWaalsContact OD1-CB 3.31Å; D933-S935 WeakPolarHBondContact OD1-CB 3.39Å; D933-S935 PolarHBondContact OD1-N 2.84Å; D933-S935 PolarHBondContact OD1-OG 3.24Å; S935-T938 PolarHBondContact O-N 3.23Å; S935-T939 PolarHBondContact O-N 3.04Å; S935-T939 PolarHBondContact O-OG1 2.93Å; S935-C1073 WeakPolarHBondContact OG-CB 3.39Å
936	V	91.5	Very high	90.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.8	-46.6	176.2	177.6	0	0	0	0	110	F929 D933 T938 T939 L940 I1043 F1052 L1065 V1067	F929-V936 HydrophobicContact CE1-CB 3.86Å; F929-V936 HydrophobicContact CE1-CG1 3.84Å; F929-V936 HydrophobicContact CZ-CB 4.07Å; F929-V936 HydrophobicContact CZ-CG1 4.17Å; D933-V936 PolarHBondContact OD1-N 2.8Å; D933-V936 VanDerWaalsContact OD1-N 3.09Å; V936-T938 VanDerWaalsContact C-N 3.33Å; V936-T938 PolarHBondContact O-N 2.83Å; V936-T939 WeakPolarHBondContact CA-OG1 3.42Å; V936-T939 PolarHBondContact O-N 2.94Å; V936-T939 VanDerWaalsContact O-N 3.08Å; V936-T939 PolarHBondContact O-OG1 3.42Å; V936-L940 HydrophobicContact CG1-CD1 4.06Å; V936-L940 HydrophobicContact CG1-CG 4.25Å; V936-L940 WeakPolarHBondContact O-CG 3.49Å; V936-L940 PolarHBondContact O-N 2.97Å; V936-I1043 HydrophobicContact CB-CD1 4.36Å; V936-I1043 HydrophobicContact CG2-CD1 3.82Å; V936-F1052 HydrophobicContact CG1-CB 4.34Å; V936-F1052 HydrophobicContact CG1-CD1 4.05Å; V936-F1052 HydrophobicContact CG1-CD2 4.16Å; V936-F1052 HydrophobicContact CG1-CE1 4.37Å; V936-F1052 HydrophobicContact CG1-CE2 4.5Å; V936-F1052 HydrophobicContact CG1-CG 3.92Å; V936-F1052 HydrophobicContact CG2-CB 4.39Å; V936-F1052 HydrophobicContact CG2-CD1 4.12Å; V936-F1052 HydrophobicContact CG2-CG 4.41Å; V936-L1065 HydrophobicContact CG1-CD1 4.05Å; V936-L1065 HydrophobicContact CG1-CD2 4.23Å; V936-V1067 HydrophobicContact CG2-CG1 4.05Å; V936-V1067 HydrophobicContact CG2-CG2 4.48Å
937	M	92.6	Very high	90.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-62.4	-38.1	-179.5	-163.9	56.2	159.7	0	0	112.7	F928 F929 D933 T939 L940 I941 F946 F1030 I1080	F928-M937 HydrophobicContact CE1-CE 4.5Å; F928-M937 HydrophobicContact CE2-CE 3.57Å; F928-M937 HydrophobicContact CZ-CE 3.41Å; F928-M937 VanDerWaalsContact CZ-CE 3.41Å; F928-M937 HydrophobicContact CZ-CG 4.22Å; F929-M937 HydrophobicContact CD1-CB 4.08Å; F929-M937 HydrophobicContact CD1-CG 4.47Å; F929-M937 HydrophobicContact CD1-SD 4.1Å; F929-M937 HydrophobicContact CE1-CB 4.33Å; D933-M937 PolarHBondContact O-N 3.49Å; M937-T939 VanDerWaalsContact C-N 3.35Å; M937-T939 PolarHBondContact O-N 2.91Å; M937-L940 PolarHBondContact O-N 3.39Å; M937-L940 HydrophobicContact SD-CD1 4.3Å; M937-I941 HydrophobicContact CG-CD1 4.31Å; M937-I941 WeakPolarHBondContact O-CD1 3.36Å; M937-I941 VanDerWaalsContact O-CG1 3.27Å; M937-I941 WeakPolarHBondContact O-CG1 3.44Å; M937-I941 PolarHBondContact O-N 2.98Å; M937-I941 VanDerWaalsContact O-N 3.11Å; M937-F946 HydrophobicContact CE-CB 4.48Å; M937-F946 HydrophobicContact CE-CD1 3.97Å; M937-F946 HydrophobicContact CE-CD2 4.23Å; M937-F946 HydrophobicContact CE-CE1 4.22Å; M937-F946 HydrophobicContact CE-CE2 4.46Å; M937-F946 HydrophobicContact CE-CG 3.97Å; M937-F946 HydrophobicContact CE-CZ 4.45Å; M937-F946 HydrophobicContact SD-CD2 4.23Å; M937-F946 HydrophobicContact SD-CG 4.43Å; M937-F1030 HydrophobicContact CE-CB 4.41Å; M937-F1030 HydrophobicContact CE-CG 4.42Å; M937-I1080 HydrophobicContact CB-CD1 4.34Å; M937-I1080 HydrophobicContact CG-CD1 4.29Å
938	T	91.7	Very high	90.7	Very high	33 Å²	33	35.3 Å²	35.3	20%	0.202	18%	0.178	C	C	.	.	H	α-helix	trans	-59.9	-44	173.4	-61.4	0	0	0	0	111.5	G934 S935 V936 I941 Q942 Y1077	G934-T938 VanDerWaalsContact O-CB 3.26Å; G934-T938 WeakPolarHBondContact O-CB 3.23Å; G934-T938 PolarHBondContact O-N 3.14Å; G934-T938 PolarHBondContact O-OG1 2.91Å; S935-T938 PolarHBondContact O-N 3.23Å; V936-T938 VanDerWaalsContact C-N 3.33Å; V936-T938 PolarHBondContact O-N 2.83Å; T938-I941 PolarHBondContact O-N 2.99Å; T938-Q942 WeakPolarHBondContact O-CG 3.32Å; T938-Q942 PolarHBondContact O-N 3.28Å; T938-Y1077 HydrophobicContact CG2-CD1 4.16Å; T938-Y1077 HydrophobicContact CG2-CE1 4.27Å
939	T	91	Very high	90.6	Very high	12 Å²	12	35.6 Å²	35.6	7%	0.074	18%	0.18	C	C	.	.	H	α-helix	trans	-68.8	-35.4	177.8	42.1	0	0	0	0	113.6	S935 V936 M937 I941 Q942 M943 I1043 F1052	S935-T939 PolarHBondContact O-N 3.04Å; S935-T939 PolarHBondContact O-OG1 2.93Å; V936-T939 WeakPolarHBondContact CA-OG1 3.42Å; V936-T939 PolarHBondContact O-N 2.94Å; V936-T939 VanDerWaalsContact O-N 3.08Å; V936-T939 PolarHBondContact O-OG1 3.42Å; M937-T939 VanDerWaalsContact C-N 3.35Å; M937-T939 PolarHBondContact O-N 2.91Å; T939-I941 VanDerWaalsContact C-N 3.3Å; T939-I941 PolarHBondContact O-N 3.06Å; T939-Q942 PolarHBondContact O-N 2.84Å; T939-M943 VanDerWaalsContact O-CG 3.31Å; T939-M943 WeakPolarHBondContact O-CG 3.45Å; T939-M943 PolarHBondContact O-N 2.91Å; T939-I1043 HydrophobicContact CG2-CD1 4.26Å; T939-I1043 HydrophobicContact CG2-CG1 4.16Å; T939-F1052 VanDerWaalsContact OG1-CE1 3.29Å; T939-F1052 WeakPolarHBondContact OG1-CE1 3.28Å
940	L	91.7	Very high	90.3	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.9	-34.2	175.4	-65.6	176.7	0	0	0	112.5	V936 M937 G944 M945 F946 F1052 V1054	V936-L940 HydrophobicContact CG1-CD1 4.06Å; V936-L940 HydrophobicContact CG1-CG 4.25Å; V936-L940 WeakPolarHBondContact O-CG 3.49Å; V936-L940 PolarHBondContact O-N 2.97Å; M937-L940 PolarHBondContact O-N 3.39Å; M937-L940 HydrophobicContact SD-CD1 4.3Å; L940-G944 PolarHBondContact O-N 2.8Å; L940-M945 HydrophobicContact CD2-SD 3.91Å; L940-M945 PolarHBondContact O-N 2.65Å; L940-F946 HydrophobicContact CB-CD2 4.1Å; L940-F946 HydrophobicContact CD1-CD2 4.25Å; L940-F946 HydrophobicContact CD1-CE2 4.29Å; L940-F946 PolarHBondContact O-N 3.04Å; L940-F1052 HydrophobicContact CD2-CD2 4.44Å; L940-F1052 HydrophobicContact CD2-CE2 3.59Å; L940-F1052 HydrophobicContact CD2-CZ 4.06Å; L940-F1052 HydrophobicContact CG-CE2 4.42Å; L940-V1054 HydrophobicContact CD1-CG2 4.49Å; L940-V1054 HydrophobicContact CD2-CG2 3.66Å
941	I	91.5	Very high	90	Very high	49 Å²	49	38.1 Å²	38.1	25%	0.251	20%	0.197	S	C	.	.	H	α-helix	trans	-68.6	-43	172.4	-62.8	157.7	0	0	0	110.6	M937 T938 T939 M943 G944 F946 F1030 I1080	M937-I941 HydrophobicContact CG-CD1 4.31Å; M937-I941 WeakPolarHBondContact O-CD1 3.36Å; M937-I941 VanDerWaalsContact O-CG1 3.27Å; M937-I941 WeakPolarHBondContact O-CG1 3.44Å; M937-I941 PolarHBondContact O-N 2.98Å; M937-I941 VanDerWaalsContact O-N 3.11Å; T938-I941 PolarHBondContact O-N 2.99Å; T939-I941 VanDerWaalsContact C-N 3.3Å; T939-I941 PolarHBondContact O-N 3.06Å; I941-M943 VanDerWaalsContact C-N 3.28Å; I941-M943 PolarHBondContact O-N 3.16Å; I941-G944 PolarHBondContact O-N 3.21Å; I941-G944 VanDerWaalsContact O-N 3.09Å; I941-F946 WeakPolarHBondContact CA-O 3.25Å; I941-F946 HydrophobicContact CG1-CB 4.13Å; I941-F1030 HydrophobicContact CD1-CD1 4.11Å; I941-F1030 HydrophobicContact CD1-CE1 3.53Å; I941-F1030 HydrophobicContact CD1-CZ 4.42Å; I941-F1030 HydrophobicContact CG1-CD1 4.38Å; I941-F1030 HydrophobicContact CG1-CE1 4.23Å; I941-I1080 HydrophobicContact CD1-CD1 3.93Å
942	Q	90.9	Very high	89.8	Confident	142 Å²	142	38.2 Å²	38.2	66%	0.664	20%	0.197	S	C	*	.	H	α-helix	trans	-64.2	-30.1	177	-72.5	174.3	-6.6	0	0	113.4	T938 T939 G944	T938-Q942 WeakPolarHBondContact O-CG 3.32Å; T938-Q942 PolarHBondContact O-N 3.28Å; T939-Q942 PolarHBondContact O-N 2.84Å; Q942-G944 VanDerWaalsContact C-N 3.29Å
943	M	89.7	Confident	89.6	Confident	74 Å²	74	37.3 Å²	37.3	37%	0.365	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-5.9	175	-69.6	166	-169.5	0	0	113.6	T939 I941 M945 S1041 F1052	T939-M943 VanDerWaalsContact O-CG 3.31Å; T939-M943 WeakPolarHBondContact O-CG 3.45Å; T939-M943 PolarHBondContact O-N 2.91Å; I941-M943 VanDerWaalsContact C-N 3.28Å; I941-M943 PolarHBondContact O-N 3.16Å; M943-M945 VanDerWaalsContact C-N 3.27Å; M943-M945 PolarHBondContact O-N 2.91Å; M943-S1041 WeakPolarHBondContact CE-OG 3.48Å; M943-F1052 HydrophobicContact CE-CZ 4.06Å; M943-F1052 HydrophobicContact SD-CZ 4.07Å
944	G	88.8	Confident	89.4	Confident	38 Å²	38	39.1 Å²	39.1	39%	0.392	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	7.8	-177.1	0	0	0	0	0	114.9	L940 I941 Q942 F946	L940-G944 PolarHBondContact O-N 2.8Å; I941-G944 PolarHBondContact O-N 3.21Å; I941-G944 VanDerWaalsContact O-N 3.09Å; Q942-G944 VanDerWaalsContact C-N 3.29Å; G944-F946 VanDerWaalsContact C-N 3.35Å
945	M	90.8	Very high	89.1	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.196	C	C	.	.	S	Bend	trans	-72	-31.5	176.3	-165.7	-179.8	-163.2	0	0	111.6	L940 M943 Y1032 E1033 V1036 T1039 V1054 L1063	L940-M945 HydrophobicContact CD2-SD 3.91Å; L940-M945 PolarHBondContact O-N 2.65Å; M943-M945 VanDerWaalsContact C-N 3.27Å; M943-M945 PolarHBondContact O-N 2.91Å; M945-Y1032 HydrophobicContact CE-CD2 4.39Å; M945-Y1032 HydrophobicContact CE-CE2 3.72Å; M945-Y1032 HydrophobicContact CG-CD2 3.96Å; M945-Y1032 HydrophobicContact CG-CE2 3.86Å; M945-Y1032 WeakPolarHBondContact O-CA 3.09Å; M945-Y1032 WeakPolarHBondContact O-CD2 3.14Å; M945-E1033 PolarHBondContact O-N 3.19Å; M945-V1036 WeakPolarHBondContact CE-O 3.33Å; M945-V1036 HydrophobicContact CG-CB 4.42Å; M945-V1036 HydrophobicContact CG-CG1 4.41Å; M945-T1039 HydrophobicContact SD-CG2 4.04Å; M945-T1039 PolarHBondContact SD-OG1 3.31Å; M945-V1054 HydrophobicContact CE-CB 3.98Å; M945-V1054 HydrophobicContact CE-CG1 3.64Å; M945-V1054 HydrophobicContact SD-CB 4.08Å; M945-V1054 HydrophobicContact SD-CG1 4Å; M945-V1054 HydrophobicContact SD-CG2 4.33Å; M945-L1063 HydrophobicContact CE-CD1 4.26Å; M945-L1063 HydrophobicContact CE-CD2 4.42Å
946	F	91.4	Very high	88.9	Confident	1 Å²	1	40.1 Å²	40.1	0%	0.004	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126	171.3	-84.3	-85.7	0	0	0	111.5	I910 M937 L940 I941 G944 F1030 I1031 L1063	I910-F946 HydrophobicContact CD1-CE2 4.01Å; I910-F946 HydrophobicContact CD1-CZ 3.92Å; M937-F946 HydrophobicContact CE-CB 4.48Å; M937-F946 HydrophobicContact CE-CD1 3.97Å; M937-F946 HydrophobicContact CE-CD2 4.23Å; M937-F946 HydrophobicContact CE-CE1 4.22Å; M937-F946 HydrophobicContact CE-CE2 4.46Å; M937-F946 HydrophobicContact CE-CG 3.97Å; M937-F946 HydrophobicContact CE-CZ 4.45Å; M937-F946 HydrophobicContact SD-CD2 4.23Å; M937-F946 HydrophobicContact SD-CG 4.43Å; L940-F946 HydrophobicContact CB-CD2 4.1Å; L940-F946 HydrophobicContact CD1-CD2 4.25Å; L940-F946 HydrophobicContact CD1-CE2 4.29Å; L940-F946 PolarHBondContact O-N 3.04Å; I941-F946 WeakPolarHBondContact CA-O 3.25Å; I941-F946 HydrophobicContact CG1-CB 4.13Å; G944-F946 VanDerWaalsContact C-N 3.35Å; F946-F1030 HydrophobicContact CD1-CB 4.28Å; F946-I1031 CarbonylContact C-O 3.6Å; F946-I1031 WeakPolarHBondContact CA-O 3.46Å; F946-L1063 HydrophobicContact CE2-CD1 3.79Å; F946-L1063 HydrophobicContact CZ-CD1 3.76Å
947	K	90.6	Very high	88.7	Confident	113 Å²	113	41.9 Å²	41.9	49%	0.491	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	127.6	173.2	-173.2	177.1	-177.6	179.1	0	109.9	F1030 I1031	K947-F1030 WeakPolarHBondContact O-CA 3.46Å; K947-I1031 HydrophobicContact CB-CG2 3.98Å; K947-I1031 PolarHBondContact N-O 2.81Å; K947-I1031 PolarHBondContact O-N 3.21Å; K947-I1031 VanDerWaalsContact O-N 3.14Å
948	R	90.1	Very high	88.3	Confident	145 Å²	145	42.9 Å²	42.9	55%	0.547	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	129.3	168.9	-177.9	177.7	167.5	-167.9	-8.6	109.3	E1026 P1028 F1030	R948-E1026 IonicContact NH2-OE1 2.75Å; R948-P1028 HydrophobicContact CG-CB 4.33Å; R948-F1030 HydrophobicContact CB-CD1 4.1Å; R948-F1030 HydrophobicContact CB-CE1 3.68Å; R948-F1030 HydrophobicContact CB-CZ 4.43Å; R948-F1030 HydrophobicContact CG-CD1 4.45Å; R948-F1030 HydrophobicContact CG-CE1 3.78Å; R948-F1030 HydrophobicContact CG-CZ 4.02Å
949	V	88	Confident	87.9	Confident	9 Å²	9	48 Å²	48	6%	0.055	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.7	174.7	-175.1	0	0	0	0	107.5	V646 F648 L951 P1028 S1029 I1031	V646-V949 HydrophobicContact CG2-CB 4.4Å; V646-V949 HydrophobicContact CG2-CG1 4.32Å; F648-V949 HydrophobicContact CZ-CG2 3.95Å; V949-L951 HydrophobicContact CG1-CD2 4.24Å; V949-P1028 WeakPolarHBondContact O-CA 3.26Å; V949-S1029 PolarHBondContact N-O 2.61Å; V949-S1029 PolarHBondContact O-N 3.17Å; V949-I1031 HydrophobicContact CG2-CG2 4.37Å
950	S	86.2	Confident	86.9	Confident	49 Å²	49	49.5 Å²	49.5	34%	0.343	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	127.2	168.6	48.1	0	0	0	0	109.2
951	L	84.2	Confident	85.2	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.016	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	149.2	168.7	-66.1	-175.5	0	0	0	109.3	W613 R637 V646 V949 E1026 Y1027	W613-L951 HydrophobicContact CE3-CD2 4.4Å; W613-L951 HydrophobicContact CH2-CD2 4.46Å; W613-L951 HydrophobicContact CZ3-CD2 3.78Å; R637-L951 HydrophobicContact CB-CD2 4.44Å; V646-L951 HydrophobicContact CG2-CD1 3.63Å; V646-L951 HydrophobicContact CG2-CD2 4.18Å; V646-L951 HydrophobicContact CG2-CG 4.04Å; V949-L951 HydrophobicContact CG1-CD2 4.24Å; L951-E1026 WeakPolarHBondContact O-CA 3.44Å; L951-Y1027 HydrophobicContact CB-CD1 4.39Å; L951-Y1027 HydrophobicContact CB-CD2 4.07Å; L951-Y1027 HydrophobicContact CB-CE1 3.91Å; L951-Y1027 HydrophobicContact CB-CE2 3.56Å; L951-Y1027 HydrophobicContact CB-CG 4.46Å; L951-Y1027 VanDerWaalsContact CB-CZ 3.48Å; L951-Y1027 HydrophobicContact CD1-CD2 4.43Å; L951-Y1027 HydrophobicContact CD1-CE2 3.47Å; L951-Y1027 VanDerWaalsContact CD1-CE2 3.47Å; L951-Y1027 HydrophobicContact CG-CE2 4.09Å; L951-Y1027 PolarHBondContact N-O 2.9Å; L951-Y1027 PolarHBondContact O-N 2.77Å
952	F	84.8	Confident	83	Confident	66 Å²	66	57.9 Å²	57.9	29%	0.289	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.9	176.5	-62	-81.3	0	0	0	109.6	W613 Y954 T1025 E1026 V1087	W613-F952 WeakPolarHBondContact CH2-O 3.43Å; W613-F952 WeakPolarHBondContact CZ2-O 3.42Å; F952-Y954 HydrophobicContact CB-CD2 4.29Å; F952-Y954 HydrophobicContact CB-CE2 3.67Å; F952-T1025 CarbonylContact C-O 3.57Å; F952-T1025 VanDerWaalsContact CA-O 3.31Å; F952-T1025 WeakPolarHBondContact CA-O 3.4Å; F952-E1026 HydrophobicContact CD1-CB 3.92Å; F952-E1026 HydrophobicContact CD1-CG 4.05Å; F952-E1026 HydrophobicContact CE1-CB 3.8Å; F952-E1026 HydrophobicContact CE1-CG 3.65Å; F952-E1026 HydrophobicContact CZ-CG 4.18Å; F952-V1087 HydrophobicContact CD1-CG2 4.32Å; F952-V1087 HydrophobicContact CE1-CG2 4.38Å
953	D	86.3	Confident	80.6	Confident	26 Å²	26	59.7 Å²	59.7	14%	0.139	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	99.4	167.8	-176.8	-3.8	0	0	0	107.4	R588 Q955 A956 T1025 Y1027	R588-D953 IonicContact CZ-OD1 2.7Å; R588-D953 IonicContact CZ-OD2 3.04Å; R588-D953 IonicContact NH1-OD1 2.58Å; R588-D953 IonicContact NH1-OD2 3.22Å; R588-D953 PolarHBondContact NH1-OD2 2.72Å; R588-D953 VanDerWaalsContact NH2-CG 3.27Å; R588-D953 IonicContact NH2-OD1 2.83Å; R588-D953 PolarHBondContact NH2-OD1 2.99Å; R588-D953 IonicContact NH2-OD2 3.84Å; R588-D953 PolarHBondContact NH2-OD2 3.29Å; D953-Q955 VanDerWaalsContact C-N 3.28Å; D953-Q955 WeakPolarHBondContact OD1-CA 3.36Å; D953-Q955 PolarHBondContact OD1-N 2.73Å; D953-A956 HydrophobicContact CB-CB 4.35Å; D953-A956 WeakPolarHBondContact O-CB 3.3Å; D953-A956 PolarHBondContact OD1-N 3.02Å; D953-T1025 PolarHBondContact N-O 3.18Å; D953-T1025 PolarHBondContact O-N 3.21Å; D953-T1025 PolarHBondContact O-OG1 3.37Å; D953-Y1027 HydrophobicContact CB-CE1 4.04Å
954	Y	84.7	Confident	78	Confident	54 Å²	54	61.3 Å²	61.3	21%	0.212	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-16.1	177.6	-62	-80.9	0	0	0	112.6	E610 W613 F952 D1024	E610-Y954 HydrophobicContact CB-CD2 4.27Å; E610-Y954 HydrophobicContact CB-CG 4.21Å; E610-Y954 HydrophobicContact CG-CG 4.38Å; E610-Y954 WeakPolarHBondContact O-CD2 2.89Å; W613-Y954 AromaticContact NE1-CD2 3.99Å; W613-Y954 AromaticContact NE1-CE2 3.77Å; F952-Y954 HydrophobicContact CB-CD2 4.29Å; F952-Y954 HydrophobicContact CB-CE2 3.67Å; Y954-D1024 HydrophobicContact CD1-CB 4.19Å; Y954-D1024 VanDerWaalsContact CD1-CG 3.5Å; Y954-D1024 WeakPolarHBondContact CD1-OD1 3.44Å
955	Q	85	Confident	75.3	Confident	14 Å²	14	65.2 Å²	65.2	7%	0.065	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	18.9	177.8	-53.2	174.9	35	0	0	111.7	E586 K600 V606 D953	E586-Q955 PolarHBondContact O-NE2 2.7Å; K600-Q955 WeakPolarHBondContact CE-O 3.19Å; K600-Q955 PolarHBondContact NZ-O 3Å; V606-Q955 HydrophobicContact CG1-CG 4.29Å; D953-Q955 VanDerWaalsContact C-N 3.28Å; D953-Q955 WeakPolarHBondContact OD1-CA 3.36Å; D953-Q955 PolarHBondContact OD1-N 2.73Å
956	A	86.4	Confident	72.5	Confident	14 Å²	14	69.6 Å²	69.6	12%	0.116	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	159.1	-178.4	0	0	0	0	0	111.9	D953 P1022 C1023 T1025	D953-A956 HydrophobicContact CB-CB 4.35Å; D953-A956 WeakPolarHBondContact O-CB 3.3Å; D953-A956 PolarHBondContact OD1-N 3.02Å; A956-P1022 WeakPolarHBondContact O-CA 3.19Å; A956-C1023 WeakPolarHBondContact CB-O 3.5Å; A956-C1023 PolarHBondContact N-O 3.29Å; A956-C1023 PolarHBondContact O-N 2.63Å; A956-T1025 HydrophobicContact CB-CG2 3.69Å; A956-T1025 VanDerWaalsContact CB-OG1 3.31Å; A956-T1025 WeakPolarHBondContact CB-OG1 3.37Å
957	M	85.5	Confident	69.8	Low	38 Å²	38	74.4 Å²	74.4	19%	0.187	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	106.9	178.5	-66.9	-65.7	-68.9	0	0	109.3	Y591 K600 L1020 Q1021 P1022	Y591-M957 HydrophobicContact CD1-CE 4.02Å; Y591-M957 HydrophobicContact CD2-CE 4.3Å; Y591-M957 HydrophobicContact CD2-CG 4.47Å; Y591-M957 HydrophobicContact CE1-CE 3.94Å; Y591-M957 HydrophobicContact CE2-CE 4.23Å; Y591-M957 HydrophobicContact CG-CE 4.2Å; Y591-M957 HydrophobicContact CG-CG 4.1Å; K600-M957 HydrophobicContact CB-SD 4.36Å; K600-M957 HydrophobicContact CD-CG 4.41Å; K600-M957 HydrophobicContact CD-SD 4.29Å; K600-M957 HydrophobicContact CG-CG 4.29Å; K600-M957 HydrophobicContact CG-SD 3.98Å; M957-L1020 HydrophobicContact CB-CB 4.34Å; M957-L1020 HydrophobicContact CE-CB 3.94Å; M957-L1020 WeakPolarHBondContact CE-O 3.23Å; M957-Q1021 CarbonylContact C-O 3.6Å; M957-Q1021 WeakPolarHBondContact CA-O 3.47Å; M957-P1022 HydrophobicContact SD-CB 4.45Å; M957-P1022 HydrophobicContact SD-CG 4.12Å
958	C	86.1	Confident	67	Low	21 Å²	21	72.7 Å²	72.7	14%	0.142	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	147.3	179.7	-71.8	0	0	0	0	110.7	T960 L1020 Q1021 C1023	C958-T960 PolarHBondContact O-N 3.43Å; C958-L1020 CarbonylContact O-C 3.52Å; C958-L1020 VanDerWaalsContact O-CA 3.3Å; C958-L1020 WeakPolarHBondContact O-CA 3.23Å; C958-Q1021 PolarHBondContact N-O 2.98Å; C958-Q1021 PolarHBondContact O-N 2.87Å; C958-C1023 VanDerWaalsContact CA-SG 3.53Å; C958-C1023 HydrophobicContact CB-CB 3.57Å; C958-C1023 WeakPolarHBondContact CB-SG 3.3Å; C958-C1023 PolarHBondContact N-SG 3.02Å; C958-C1023 WeakPolarHBondContact SG-CB 3.49Å; C958-C1023 CovalentContact SG-SG 2.02Å; C958-C1023 PolarHBondContact SG-SG 3.19Å
959	K	83.1	Confident	64.6	Low	139 Å²	139	75.9 Å²	75.9	60%	0.604	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.4	124.3	165.5	-66.3	171.8	-175.5	169.1	0	107.3	N961 L1020	K959-N961 PolarHBondContact O-N 3.38Å; K959-L1020 HydrophobicContact CB-CD2 4.36Å; K959-L1020 HydrophobicContact CG-CD2 3.53Å
960	T	68.7	Low	62.3	Low	45 Å²	45	80.7 Å²	80.7	28%	0.276	45%	0.453	S	S	.	.			trans	-58.8	112.2	164.4	56	0	0	0	0	107.6	C958 P962 V1019 Q1021	C958-T960 PolarHBondContact O-N 3.43Å; T960-P962 VanDerWaalsContact O-CD 3.28Å; T960-P962 WeakPolarHBondContact O-CD 3.27Å; T960-P962 VanDerWaalsContact O-N 3.15Å; T960-V1019 PolarHBondContact N-O 3.1Å; T960-V1019 PolarHBondContact OG1-O 3.44Å; T960-Q1021 HydrophobicContact CG2-CB 4.16Å; T960-Q1021 VanDerWaalsContact CG2-CD 3.42Å; T960-Q1021 HydrophobicContact CG2-CG 3.73Å
961	N	56.5	Low	60.3	Low	126 Å²	126	87 Å²	87	67%	0.674	48%	0.483	S	S	*	.			trans	-60.4	117.3	154.2	-76.9	-41.2	0	0	0	104.6	K959 H963	K959-N961 PolarHBondContact O-N 3.38Å; N961-H963 PolarHBondContact O-N 3.32Å
962	P	46.2	Very low	58.7	Low	99 Å²	99	92.6 Å²	92.6	64%	0.643	51%	0.512	S	S	*	.			trans	-55.1	125.3	170.4	24.7	-32	0	0	0	105.3	T960 S964	T960-P962 VanDerWaalsContact O-CD 3.28Å; T960-P962 WeakPolarHBondContact O-CD 3.27Å; T960-P962 VanDerWaalsContact O-N 3.15Å; P962-S964 PolarHBondContact O-N 2.84Å
963	H	40.6	Very low	57.4	Low	180 Å²	180	92.8 Å²	92.8	83%	0.833	52%	0.521	S	S	*	.			trans	-51.3	113	171	-81.8	-74.6	0	0	0	106	N961 V965	N961-H963 PolarHBondContact O-N 3.32Å; H963-V965 PolarHBondContact O-N 3.18Å
964	S	33.4	Very low	56	Low	108 Å²	108	96.3 Å²	96.3	76%	0.755	55%	0.548	S	S	*	.			trans	-66.3	79.7	160.2	40.5	0	0	0	0	105.3	P962 S966	P962-S964 PolarHBondContact O-N 2.84Å; S964-S966 PolarHBondContact O-N 2.94Å
965	V	33.3	Very low	55	Low	120 Å²	120	101.9 Å²	101.9	73%	0.727	57%	0.573	S	S	*	*			trans	-46.7	103.3	144.9	-179.8	0	0	0	0	102.8	H963 S967	H963-V965 PolarHBondContact O-N 3.18Å; V965-S967 PolarHBondContact O-N 2.71Å; V965-S967 PolarHBondContact O-OG 3.32Å
966	S	31.9	Very low	54.1	Low	91 Å²	91	108.2 Å²	108.2	64%	0.636	60%	0.598	S	S	*	*			trans	-71.1	87.6	-167.2	-164	0	0	0	0	106.9	S964 A968	S964-S966 PolarHBondContact O-N 2.94Å; S966-A968 CarbonylContact O-C 3.45Å; S966-A968 PolarHBondContact O-N 3.46Å; S966-A968 WeakPolarHBondContact OG-CB 3.46Å
967	S	33.8	Very low	52.9	Low	103 Å²	103	110.3 Å²	110.3	72%	0.72	62%	0.615	S	S	*	*			trans	-74.4	18.3	171.5	-60.2	0	0	0	0	110.3	V965 R969	V965-S967 PolarHBondContact O-N 2.71Å; V965-S967 PolarHBondContact O-OG 3.32Å; S967-R969 PolarHBondContact O-N 3.38Å
968	A	32.9	Very low	52.1	Low	76 Å²	76	114 Å²	114	63%	0.628	64%	0.635	S	S	*	*			trans	-52.4	78.2	137.5	0	0	0	0	0	108.8	S966	S966-A968 CarbonylContact O-C 3.45Å; S966-A968 PolarHBondContact O-N 3.46Å; S966-A968 WeakPolarHBondContact OG-CB 3.46Å
969	R	38.9	Very low	51.5	Low	212 Å²	212	115.8 Å²	115.8	80%	0.8	65%	0.651	S	S	*	*			trans	-44.3	131.2	158.2	-64.2	178.3	176	-173.1	-1.9	106	S967 L971	S967-R969 PolarHBondContact O-N 3.38Å; R969-L971 PolarHBondContact O-N 2.98Å
970	P	39.5	Very low	50.6	Low	110 Å²	110	112 Å²	112	71%	0.714	64%	0.642	S	S	*	*			trans	-52.1	132.6	169.2	24.8	-33.2	0	0	0	106.7	L972	P970-L972 VanDerWaalsContact C-N 3.26Å; P970-L972 PolarHBondContact O-N 3.05Å
971	L	44.9	Very low	50.7	Low	183 Å²	183	113.9 Å²	113.9	96%	0.958	65%	0.654	S	S	*	*			trans	-60.3	90.4	-174.2	-83.6	163.6	0	0	0	109.4	R969 S973	R969-L971 PolarHBondContact O-N 2.98Å; L971-S973 PolarHBondContact O-N 3.5Å; L971-S973 VanDerWaalsContact O-N 3.1Å
972	L	50.8	Low	51.7	Low	119 Å²	119	112.9 Å²	112.9	62%	0.623	65%	0.648	S	S	*	*			trans	-63.2	114.2	173.5	-81.9	164.4	0	0	0	106.6	P970 Y976	P970-L972 VanDerWaalsContact C-N 3.26Å; P970-L972 PolarHBondContact O-N 3.05Å; L972-Y976 HydrophobicContact CD2-CD1 4.26Å; L972-Y976 HydrophobicContact CD2-CG 4.3Å
973	S	57	Low	53.2	Low	71 Å²	71	115.9 Å²	115.9	50%	0.497	65%	0.651	S	S	.	*			trans	-41.4	139.1	177.8	170.5	0	0	0	0	111.4	L971 F975 Y976	L971-S973 PolarHBondContact O-N 3.5Å; L971-S973 VanDerWaalsContact O-N 3.1Å; S973-F975 PolarHBondContact O-N 3.18Å; S973-Y976 WeakPolarHBondContact O-CB 3.36Å; S973-Y976 PolarHBondContact O-N 3.39Å
974	S	56.6	Low	55	Low	99 Å²	99	115.4 Å²	115.4	69%	0.692	64%	0.642	S	S	*	*	H	α-helix	trans	-51.5	-26.6	179.8	-46.5	0	0	0	0	113.3	L978	S974-L978 PolarHBondContact O-N 3.48Å
975	F	65	Low	57.2	Low	171 Å²	171	116.2 Å²	116.2	75%	0.75	63%	0.632	S	S	*	*	H	α-helix	trans	-66.8	-34.2	173.9	-72.3	-83.8	0	0	0	113.9	S973 L978 A979	S973-F975 PolarHBondContact O-N 3.18Å; F975-L978 PolarHBondContact O-N 2.89Å; F975-A979 WeakPolarHBondContact O-CB 3.25Å; F975-A979 PolarHBondContact O-N 3.38Å
976	Y	65.8	Low	59.2	Low	147 Å²	147	115.7 Å²	115.7	58%	0.576	63%	0.625	S	S	*	*	H	α-helix	trans	-72.6	-37.5	178.4	-155.2	-86.5	0	0	0	111.3	L972 S973 L978 A979 S980	L972-Y976 HydrophobicContact CD2-CD1 4.26Å; L972-Y976 HydrophobicContact CD2-CG 4.3Å; S973-Y976 WeakPolarHBondContact O-CB 3.36Å; S973-Y976 PolarHBondContact O-N 3.39Å; Y976-L978 VanDerWaalsContact C-N 3.32Å; Y976-L978 PolarHBondContact O-N 3.28Å; Y976-A979 PolarHBondContact O-N 3.48Å; Y976-S980 WeakPolarHBondContact O-CB 3.38Å; Y976-S980 PolarHBondContact O-N 3.05Å; Y976-S980 PolarHBondContact O-OG 3Å
977	A	60.5	Low	61.2	Low	58 Å²	58	114.2 Å²	114.2	48%	0.479	61%	0.614	S	S	.	*	H	α-helix	trans	-60.1	-43.3	171.7	0	0	0	0	0	111.5	S980 T981	A977-S980 PolarHBondContact O-N 2.82Å; A977-T981 WeakPolarHBondContact O-CG2 2.86Å; A977-T981 PolarHBondContact O-N 2.88Å; A977-T981 PolarHBondContact O-OG1 3.19Å
978	L	69.6	Low	62.9	Low	117 Å²	117	112.2 Å²	112.2	61%	0.613	60%	0.595	S	S	*	*	H	α-helix	trans	-70.3	-36.1	179.6	-151	151.1	0	0	0	112.4	S974 F975 Y976 T981 L982	S974-L978 PolarHBondContact O-N 3.48Å; F975-L978 PolarHBondContact O-N 2.89Å; Y976-L978 VanDerWaalsContact C-N 3.32Å; Y976-L978 PolarHBondContact O-N 3.28Å; L978-T981 WeakPolarHBondContact CA-OG1 3.4Å; L978-T981 PolarHBondContact O-OG1 3.1Å; L978-T981 VanDerWaalsContact O-OG1 3.07Å; L978-L982 WeakPolarHBondContact O-CB 3.32Å; L978-L982 PolarHBondContact O-N 2.81Å
979	A	72.9	Confident	64.7	Low	57 Å²	57	111.4 Å²	111.4	47%	0.471	58%	0.582	S	S	.	*	H	α-helix	trans	-67.8	-39.3	171.6	0	0	0	0	0	112.4	F975 Y976 K983	F975-A979 WeakPolarHBondContact O-CB 3.25Å; F975-A979 PolarHBondContact O-N 3.38Å; Y976-A979 PolarHBondContact O-N 3.48Å; A979-K983 VanDerWaalsContact O-CB 3.29Å; A979-K983 WeakPolarHBondContact O-CB 3.42Å; A979-K983 PolarHBondContact O-N 2.03Å
980	S	63.1	Low	66.1	Low	59 Å²	59	106.5 Å²	106.5	41%	0.413	57%	0.572	S	S	.	*	H	α-helix	trans	-68.8	-39.6	175.9	-77.3	0	0	0	0	112.9	Y976 A977 K983 W984	Y976-S980 WeakPolarHBondContact O-CB 3.38Å; Y976-S980 PolarHBondContact O-N 3.05Å; Y976-S980 PolarHBondContact O-OG 3Å; A977-S980 PolarHBondContact O-N 2.82Å; S980-K983 PolarHBondContact O-N 3.23Å; S980-W984 VanDerWaalsContact O-CB 3.28Å; S980-W984 WeakPolarHBondContact O-CB 3.05Å; S980-W984 PolarHBondContact O-N 2.99Å
981	T	72.3	Confident	67.3	Low	86 Å²	86	105 Å²	105	53%	0.528	56%	0.557	S	S	.	*	H	α-helix	trans	-67.6	-39.7	174	52.1	0	0	0	0	111.6	A977 L978 W984 F985	A977-T981 WeakPolarHBondContact O-CG2 2.86Å; A977-T981 PolarHBondContact O-N 2.88Å; A977-T981 PolarHBondContact O-OG1 3.19Å; L978-T981 WeakPolarHBondContact CA-OG1 3.4Å; L978-T981 PolarHBondContact O-OG1 3.1Å; L978-T981 VanDerWaalsContact O-OG1 3.07Å; T981-W984 PolarHBondContact O-N 3.1Å; T981-F985 VanDerWaalsContact O-CB 3.28Å; T981-F985 WeakPolarHBondContact O-CB 3.46Å; T981-F985 PolarHBondContact O-N 3.33Å
982	L	76.9	Confident	68.2	Low	104 Å²	104	102.5 Å²	102.5	55%	0.545	54%	0.539	S	S	.	.	H	α-helix	trans	-62.8	-42.7	173.9	-166.7	74.9	0	0	0	111.7	L978 F985 L986	L978-L982 WeakPolarHBondContact O-CB 3.32Å; L978-L982 PolarHBondContact O-N 2.81Å; L982-F985 PolarHBondContact O-N 2.84Å; L982-L986 HydrophobicContact CG-CD1 4.14Å; L982-L986 WeakPolarHBondContact O-CB 3.46Å; L982-L986 WeakPolarHBondContact O-CG 3.04Å; L982-L986 PolarHBondContact O-N 2.97Å
983	K	77.8	Confident	68.8	Low	162 Å²	162	102.9 Å²	102.9	70%	0.704	54%	0.541	S	S	*	.	H	α-helix	trans	-66.4	-40.3	176.8	-172.5	175.4	-178.4	178.8	0	112.4	A979 S980 S987	A979-K983 VanDerWaalsContact O-CB 3.29Å; A979-K983 WeakPolarHBondContact O-CB 3.42Å; A979-K983 PolarHBondContact O-N 2.03Å; S980-K983 PolarHBondContact O-N 3.23Å; K983-S987 VanDerWaalsContact O-CB 3.31Å; K983-S987 WeakPolarHBondContact O-CB 3.5Å; K983-S987 PolarHBondContact O-N 3.06Å
984	W	78.8	Confident	69	Low	170 Å²	170	106 Å²	106	64%	0.644	55%	0.551	S	S	*	*	H	α-helix	trans	-63.7	-44.8	173.9	177.9	85.5	0	0	0	111.3	S980 T981 S987 N988	S980-W984 VanDerWaalsContact O-CB 3.28Å; S980-W984 WeakPolarHBondContact O-CB 3.05Å; S980-W984 PolarHBondContact O-N 2.99Å; T981-W984 PolarHBondContact O-N 3.1Å; W984-S987 PolarHBondContact O-N 3.26Å; W984-N988 VanDerWaalsContact CD2-ND2 3.34Å; W984-N988 WeakPolarHBondContact CZ2-ND2 3.37Å; W984-N988 PolarHBondContact NE1-ND2 3.18Å; W984-N988 WeakPolarHBondContact O-CB 3.48Å; W984-N988 PolarHBondContact O-N 2.75Å; W984-N988 PolarHBondContact O-ND2 3.24Å
985	F	78.2	Confident	68.8	Low	126 Å²	126	108.1 Å²	108.1	55%	0.553	55%	0.55	S	S	*	*	H	α-helix	trans	-63.1	-46.9	177.1	-166.8	-93.5	0	0	0	111.7	T981 L982 S987 N988 V989	T981-F985 VanDerWaalsContact O-CB 3.28Å; T981-F985 WeakPolarHBondContact O-CB 3.46Å; T981-F985 PolarHBondContact O-N 3.33Å; L982-F985 PolarHBondContact O-N 2.84Å; F985-S987 PolarHBondContact O-N 3.47Å; F985-N988 PolarHBondContact O-N 3.01Å; F985-V989 HydrophobicContact CD1-CG2 3.97Å; F985-V989 HydrophobicContact CE1-CG2 3.71Å; F985-V989 HydrophobicContact CZ-CG2 4.17Å; F985-V989 WeakPolarHBondContact O-CB 3.48Å; F985-V989 VanDerWaalsContact O-CG2 3.3Å; F985-V989 WeakPolarHBondContact O-CG2 3.44Å; F985-V989 PolarHBondContact O-N 2.96Å
986	L	75.8	Confident	68	Low	109 Å²	109	106.2 Å²	106.2	57%	0.571	54%	0.542	S	S	*	.	H	α-helix	trans	-60.3	-41.9	174.2	-84.1	159.6	0	0	0	112.4	L982 V989 L990	L982-L986 HydrophobicContact CG-CD1 4.14Å; L982-L986 WeakPolarHBondContact O-CB 3.46Å; L982-L986 WeakPolarHBondContact O-CG 3.04Å; L982-L986 PolarHBondContact O-N 2.97Å; L986-V989 PolarHBondContact O-N 3.22Å; L986-L990 VanDerWaalsContact O-CB 3.3Å; L986-L990 WeakPolarHBondContact O-CB 3.33Å; L986-L990 PolarHBondContact O-N 3.32Å
987	S	74.2	Confident	67	Low	60 Å²	60	105.4 Å²	105.4	42%	0.42	55%	0.547	S	S	.	.	H	α-helix	trans	-65.4	-39.4	178.1	-163.1	0	0	0	0	112.1	K983 W984 F985 L990 L991	K983-S987 VanDerWaalsContact O-CB 3.31Å; K983-S987 WeakPolarHBondContact O-CB 3.5Å; K983-S987 PolarHBondContact O-N 3.06Å; W984-S987 PolarHBondContact O-N 3.26Å; F985-S987 PolarHBondContact O-N 3.47Å; S987-L990 PolarHBondContact O-N 3.29Å; S987-L991 WeakPolarHBondContact O-CB 3.01Å; S987-L991 PolarHBondContact O-N 2.72Å
988	N	68.6	Low	66.4	Low	60 Å²	60	111.1 Å²	111.1	32%	0.321	56%	0.562	S	S	.	*	H	α-helix	trans	-75.9	-34.2	178.4	-70.1	-17.9	0	0	0	112.5	W984 F985 L990 L991 F992	W984-N988 VanDerWaalsContact CD2-ND2 3.34Å; W984-N988 WeakPolarHBondContact CZ2-ND2 3.37Å; W984-N988 PolarHBondContact NE1-ND2 3.18Å; W984-N988 WeakPolarHBondContact O-CB 3.48Å; W984-N988 PolarHBondContact O-N 2.75Å; W984-N988 PolarHBondContact O-ND2 3.24Å; F985-N988 PolarHBondContact O-N 3.01Å; N988-L990 VanDerWaalsContact C-N 3.33Å; N988-L991 PolarHBondContact O-N 2.86Å; N988-F992 WeakPolarHBondContact O-CB 3.36Å; N988-F992 PolarHBondContact O-N 3.12Å
989	V	71.1	Confident	65.3	Low	59 Å²	59	111.1 Å²	111.1	36%	0.358	57%	0.57	S	S	.	*	H	α-helix	trans	-66.6	-37.7	171.2	170.1	0	0	0	0	110.5	F985 L986 F992 L993	F985-V989 HydrophobicContact CD1-CG2 3.97Å; F985-V989 HydrophobicContact CE1-CG2 3.71Å; F985-V989 HydrophobicContact CZ-CG2 4.17Å; F985-V989 WeakPolarHBondContact O-CB 3.48Å; F985-V989 VanDerWaalsContact O-CG2 3.3Å; F985-V989 WeakPolarHBondContact O-CG2 3.44Å; F985-V989 PolarHBondContact O-N 2.96Å; L986-V989 PolarHBondContact O-N 3.22Å; V989-F992 PolarHBondContact O-N 3.35Å; V989-L993 HydrophobicContact CG1-CD1 3.96Å; V989-L993 HydrophobicContact CG1-CG 4.5Å; V989-L993 WeakPolarHBondContact O-CB 2.99Å; V989-L993 VanDerWaalsContact O-CG 3.23Å; V989-L993 WeakPolarHBondContact O-CG 3.49Å; V989-L993 PolarHBondContact O-N 3.19Å
990	L	68.9	Low	63.6	Low	110 Å²	110	113.6 Å²	113.6	58%	0.576	58%	0.584	S	S	*	*	H	α-helix	trans	-66.5	-43.9	175	-164	76.7	0	0	0	111.9	L986 S987 N988 L993 L994	L986-L990 VanDerWaalsContact O-CB 3.3Å; L986-L990 WeakPolarHBondContact O-CB 3.33Å; L986-L990 PolarHBondContact O-N 3.32Å; S987-L990 PolarHBondContact O-N 3.29Å; N988-L990 VanDerWaalsContact C-N 3.33Å; L990-L993 PolarHBondContact O-N 3.47Å; L990-L994 HydrophobicContact CG-CD1 4.22Å; L990-L994 WeakPolarHBondContact O-CB 3.04Å; L990-L994 WeakPolarHBondContact O-CD1 3.4Å; L990-L994 WeakPolarHBondContact O-CG 3.4Å; L990-L994 PolarHBondContact O-N 2.83Å
991	L	64.8	Low	62.6	Low	77 Å²	77	119.6 Å²	119.6	40%	0.403	60%	0.603	S	S	.	*	H	α-helix	trans	-61.9	-46.8	172.7	-87.7	158.8	0	0	0	111.8	S987 N988 L993 L994 E995	S987-L991 WeakPolarHBondContact O-CB 3.01Å; S987-L991 PolarHBondContact O-N 2.72Å; N988-L991 PolarHBondContact O-N 2.86Å; L991-L993 VanDerWaalsContact C-N 3.27Å; L991-L993 PolarHBondContact O-N 2.79Å; L991-L994 CarbonylContact O-C 3.34Å; L991-L994 PolarHBondContact O-N 2.87Å; L991-E995 WeakPolarHBondContact O-CB 3.37Å; L991-E995 PolarHBondContact O-N 3.46Å
992	F	64.3	Low	61.1	Low	131 Å²	131	125.9 Å²	125.9	58%	0.575	62%	0.617	S	S	*	*	H	α-helix	trans	-60.9	-33.6	177.4	-179.5	-98.3	0	0	0	113	N988 V989 F996	N988-F992 WeakPolarHBondContact O-CB 3.36Å; N988-F992 PolarHBondContact O-N 3.12Å; V989-F992 PolarHBondContact O-N 3.35Å; F992-F996 HydrophobicContact CD1-CD2 4.43Å; F992-F996 HydrophobicContact CD2-CD2 4.45Å; F992-F996 HydrophobicContact CE1-CD2 4.02Å; F992-F996 AromaticContact CE1-CE2 3.94Å; F992-F996 HydrophobicContact CE1-CE2 3.94Å; F992-F996 HydrophobicContact CE2-CD2 4.04Å; F992-F996 AromaticContact CE2-CE2 3.8Å; F992-F996 HydrophobicContact CE2-CE2 3.8Å; F992-F996 AromaticContact CZ-CD2 3.83Å; F992-F996 HydrophobicContact CZ-CD2 3.83Å; F992-F996 AromaticContact CZ-CE2 3.41Å; F992-F996 HydrophobicContact CZ-CE2 3.41Å; F992-F996 VanDerWaalsContact CZ-CE2 3.41Å; F992-F996 HydrophobicContact CZ-CZ 4.48Å; F992-F996 WeakPolarHBondContact O-CB 3.23Å; F992-F996 PolarHBondContact O-N 3.38Å
993	L	62.6	Low	59.3	Low	127 Å²	127	129.5 Å²	129.5	67%	0.665	63%	0.631	S	S	*	*	H	α-helix	trans	-77.4	-23.7	173.3	-72.3	169.6	0	0	0	113.3	V989 L990 L991	V989-L993 HydrophobicContact CG1-CD1 3.96Å; V989-L993 HydrophobicContact CG1-CG 4.5Å; V989-L993 WeakPolarHBondContact O-CB 2.99Å; V989-L993 VanDerWaalsContact O-CG 3.23Å; V989-L993 WeakPolarHBondContact O-CG 3.49Å; V989-L993 PolarHBondContact O-N 3.19Å; L990-L993 PolarHBondContact O-N 3.47Å; L991-L993 VanDerWaalsContact C-N 3.27Å; L991-L993 PolarHBondContact O-N 2.79Å
994	L	61.4	Low	57	Low	137 Å²	137	126.2 Å²	126.2	72%	0.717	63%	0.628	S	S	*	*	H	α-helix	trans	-86.2	-30.3	175.8	-77.5	164.7	0	0	0	113	L990 L991	L990-L994 HydrophobicContact CG-CD1 4.22Å; L990-L994 WeakPolarHBondContact O-CB 3.04Å; L990-L994 WeakPolarHBondContact O-CD1 3.4Å; L990-L994 WeakPolarHBondContact O-CG 3.4Å; L990-L994 PolarHBondContact O-N 2.83Å; L991-L994 CarbonylContact O-C 3.34Å; L991-L994 PolarHBondContact O-N 2.87Å
995	E	51.4	Low	54.8	Low	144 Å²	144	126 Å²	126	67%	0.673	64%	0.635	S	S	*	*	S	Bend	trans	-101	10.8	-175.8	-65.8	-173.2	149.5	0	0	113.8	L991 N997	L991-E995 WeakPolarHBondContact O-CB 3.37Å; L991-E995 PolarHBondContact O-N 3.46Å; E995-N997 PolarHBondContact O-N 2.98Å
996	F	48.8	Very low	52.5	Low	130 Å²	130	128.2 Å²	128.2	57%	0.57	65%	0.646	S	S	*	*			trans	-74.6	67.3	-178.3	-143.6	-98.2	0	0	0	113.2	F992 F998	F992-F996 HydrophobicContact CD1-CD2 4.43Å; F992-F996 HydrophobicContact CD2-CD2 4.45Å; F992-F996 HydrophobicContact CE1-CD2 4.02Å; F992-F996 AromaticContact CE1-CE2 3.94Å; F992-F996 HydrophobicContact CE1-CE2 3.94Å; F992-F996 HydrophobicContact CE2-CD2 4.04Å; F992-F996 AromaticContact CE2-CE2 3.8Å; F992-F996 HydrophobicContact CE2-CE2 3.8Å; F992-F996 AromaticContact CZ-CD2 3.83Å; F992-F996 HydrophobicContact CZ-CD2 3.83Å; F992-F996 AromaticContact CZ-CE2 3.41Å; F992-F996 HydrophobicContact CZ-CE2 3.41Å; F992-F996 VanDerWaalsContact CZ-CE2 3.41Å; F992-F996 HydrophobicContact CZ-CZ 4.48Å; F992-F996 WeakPolarHBondContact O-CB 3.23Å; F992-F996 PolarHBondContact O-N 3.38Å; F996-F998 HydrophobicContact CE1-CD2 4.12Å; F996-F998 AromaticContact CE1-CE2 3.8Å; F996-F998 HydrophobicContact CE1-CE2 3.8Å; F996-F998 HydrophobicContact CZ-CE2 4.23Å
997	N	44.3	Very low	50.4	Low	130 Å²	130	132.1 Å²	132.1	70%	0.695	66%	0.659	S	S	*	*			trans	-119.3	120	172.6	-167.3	-6.9	0	0	0	109.5	E995 C999	E995-N997 PolarHBondContact O-N 2.98Å; N997-C999 PolarHBondContact O-N 3.03Å
998	F	49.5	Very low	48.2	Very low	179 Å²	179	133.4 Å²	133.4	79%	0.785	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	9.6	-157.8	-121.8	-86.2	0	0	0	116.2	F996	F996-F998 HydrophobicContact CE1-CD2 4.12Å; F996-F998 AromaticContact CE1-CE2 3.8Å; F996-F998 HydrophobicContact CE1-CE2 3.8Å; F996-F998 HydrophobicContact CZ-CE2 4.23Å
999	C	45.9	Very low	46.3	Very low	117 Å²	117	138.1 Å²	138.1	79%	0.791	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.1	-4.3	-168.5	-70.7	0	0	0	0	116.3	N997	N997-C999 PolarHBondContact O-N 3.03Å
1000	S	37.6	Very low	44.1	Very low	108 Å²	108	139.4 Å²	139.4	76%	0.755	72%	0.715	S	S	*	*			trans	-91.8	10.6	-176.9	-159.7	0	0	0	0	115.4	W1002	S1000-W1002 VanDerWaalsContact C-N 3.33Å; S1000-W1002 PolarHBondContact O-N 3.22Å
1001	F	40.9	Very low	42.3	Very low	185 Å²	185	144.5 Å²	144.5	81%	0.811	73%	0.728	S	S	*	*	S	Bend	trans	-83.3	3.4	-171.4	-157.9	-101.2	0	0	0	115.3
1002	W	42.1	Very low	40.5	Very low	219 Å²	219	146 Å²	146	83%	0.83	74%	0.741	S	S	*	*	S	Bend	trans	-126	-1.5	-166.4	-85.6	92.8	0	0	0	118.2	S1000	S1000-W1002 VanDerWaalsContact C-N 3.33Å; S1000-W1002 PolarHBondContact O-N 3.22Å
1003	H	38.2	Very low	38.8	Very low	180 Å²	180	144.9 Å²	144.9	83%	0.833	75%	0.746	S	S	*	*			trans	-160	115.7	163.5	-90.1	-58.7	0	0	0	114.1
1004	S	29.7	Very low	37.5	Very low	93 Å²	93	148 Å²	148	65%	0.65	75%	0.754	S	S	*	*			trans	-159.3	114.5	137.9	63.4	0	0	0	0	109.6
1005	E	32.8	Very low	36.1	Very low	166 Å²	166	150.4 Å²	150.4	78%	0.776	76%	0.759	S	S	*	*			trans	-69.6	134.6	170.1	-65.4	-169.2	151.8	0	0	110.2
1006	H	29.4	Very low	35.4	Very low	171 Å²	171	153 Å²	153	79%	0.792	77%	0.768	S	S	*	*			trans	-111.4	96.6	167.2	-74.4	-42.4	0	0	0	109.5	A1008	H1006-A1008 PolarHBondContact O-N 3.36Å; H1006-A1008 VanDerWaalsContact O-N 3.13Å
1007	F	31.7	Very low	35	Very low	192 Å²	192	157 Å²	157	84%	0.842	78%	0.779	S	S	*	*			trans	-63	107.6	153.7	-95.2	-94.1	0	0	0	108
1008	A	28.4	Very low	35.3	Very low	86 Å²	86	155.7 Å²	155.7	71%	0.711	77%	0.772	S	S	*	*			trans	-104.7	106.1	167.6	0	0	0	0	0	107.8	H1006 A1010	H1006-A1008 PolarHBondContact O-N 3.36Å; H1006-A1008 VanDerWaalsContact O-N 3.13Å; A1008-A1010 PolarHBondContact O-N 2.98Å
1009	D	27.7	Very low	36.1	Very low	160 Å²	160	151 Å²	151	86%	0.856	76%	0.758	S	S	*	*			trans	-59.4	110.5	170.9	-84.8	-37.2	0	0	0	109.4	Y1011	D1009-Y1011 PolarHBondContact O-N 2.96Å
1010	A	25.8	Very low	37.6	Very low	86 Å²	86	147 Å²	147	71%	0.711	73%	0.729	S	S	*	*			trans	-69.9	94.7	173.9	0	0	0	0	0	108.6	A1008 V1012	A1008-A1010 PolarHBondContact O-N 2.98Å; A1010-V1012 PolarHBondContact O-N 2.97Å
1011	Y	30.5	Very low	39.7	Very low	216 Å²	216	146.7 Å²	146.7	85%	0.847	72%	0.716	S	S	*	*			trans	-65.3	84.1	168.4	-164.6	-89.3	0	0	0	109	D1009 P1013	D1009-Y1011 PolarHBondContact O-N 2.96Å; Y1011-P1013 VanDerWaalsContact O-CD 3.24Å; Y1011-P1013 WeakPolarHBondContact O-CD 3.35Å; Y1011-P1013 VanDerWaalsContact O-N 3.15Å
1012	V	28.3	Very low	41.8	Very low	110 Å²	110	140.1 Å²	140.1	67%	0.667	69%	0.691	S	S	*	*			trans	-60.3	116.8	174.5	177.6	0	0	0	0	106.8	A1010 K1014	A1010-V1012 PolarHBondContact O-N 2.97Å; V1012-K1014 VanDerWaalsContact C-N 3.33Å; V1012-K1014 PolarHBondContact O-N 3.25Å
1013	P	28.8	Very low	43.8	Very low	106 Å²	106	130.4 Å²	130.4	69%	0.688	66%	0.657	S	S	*	*			trans	-67	99.7	173.6	27.7	-31.9	0	0	0	107.1	Y1011 K1015	Y1011-P1013 VanDerWaalsContact O-CD 3.24Å; Y1011-P1013 WeakPolarHBondContact O-CD 3.35Å; Y1011-P1013 VanDerWaalsContact O-N 3.15Å; P1013-K1015 PolarHBondContact O-N 3.43Å
1014	K	33.3	Very low	46.2	Very low	193 Å²	193	122.9 Å²	122.9	84%	0.839	62%	0.622	S	S	*	*			trans	-47.8	118.3	167.3	-75.4	-174.7	177.8	179.8	0	106.1	V1012 K1016	V1012-K1014 VanDerWaalsContact C-N 3.33Å; V1012-K1014 PolarHBondContact O-N 3.25Å; K1014-K1016 VanDerWaalsContact C-N 3.33Å; K1014-K1016 PolarHBondContact O-N 3.25Å
1015	K	32.5	Very low	49	Very low	188 Å²	188	119 Å²	119	82%	0.817	60%	0.595	S	S	*	*			trans	-53.3	105.4	166.5	-89.1	179.8	173	174.5	0	105.7	P1013 W1017	P1013-K1015 PolarHBondContact O-N 3.43Å; K1015-W1017 VanDerWaalsContact C-N 3.26Å; K1015-W1017 VanDerWaalsContact O-CD1 3.28Å; K1015-W1017 PolarHBondContact O-N 2.84Å
1016	K	37.3	Very low	51.6	Low	198 Å²	198	114.1 Å²	114.1	86%	0.861	57%	0.572	S	S	*	*			trans	-62.6	99.3	169.6	-86.1	-170.3	171.2	-172.7	0	105.6	K1014	K1014-K1016 VanDerWaalsContact C-N 3.33Å; K1014-K1016 PolarHBondContact O-N 3.25Å
1017	W	41.1	Very low	54.4	Low	214 Å²	214	106.9 Å²	106.9	81%	0.811	54%	0.538	S	S	*	.			trans	-53.6	143.7	162.4	-69.7	82.3	0	0	0	107.1	K1015 V1019	K1015-W1017 VanDerWaalsContact C-N 3.26Å; K1015-W1017 VanDerWaalsContact O-CD1 3.28Å; K1015-W1017 PolarHBondContact O-N 2.84Å; W1017-V1019 VanDerWaalsContact C-N 3.27Å; W1017-V1019 PolarHBondContact O-N 3.45Å
1018	N	49.8	Very low	57.1	Low	102 Å²	102	98.5 Å²	98.5	55%	0.545	50%	0.503	S	S	.	.			trans	-68.4	90.8	179	-67.7	-27.4	0	0	0	108.2	L1020	N1018-L1020 PolarHBondContact O-N 3.01Å
1019	V	66.3	Low	60.1	Low	81 Å²	81	94.5 Å²	94.5	49%	0.491	47%	0.469	S	S	.	.			trans	-58.1	129.6	179.5	-176.9	0	0	0	0	107.9	T960 W1017 Q1021	T960-V1019 PolarHBondContact N-O 3.1Å; T960-V1019 PolarHBondContact OG1-O 3.44Å; W1017-V1019 VanDerWaalsContact C-N 3.27Å; W1017-V1019 PolarHBondContact O-N 3.45Å; V1019-Q1021 HydrophobicContact CG1-CG 4.49Å
1020	L	78.3	Confident	63	Low	33 Å²	33	87 Å²	87	17%	0.173	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	128.2	171	-71.3	169.6	0	0	0	107.9	Y591 M957 C958 K959 N1018	Y591-L1020 HydrophobicContact CD2-CD1 3.82Å; Y591-L1020 HydrophobicContact CE2-CB 4.06Å; Y591-L1020 HydrophobicContact CE2-CD1 3.77Å; M957-L1020 HydrophobicContact CB-CB 4.34Å; M957-L1020 HydrophobicContact CE-CB 3.94Å; M957-L1020 WeakPolarHBondContact CE-O 3.23Å; C958-L1020 CarbonylContact O-C 3.52Å; C958-L1020 VanDerWaalsContact O-CA 3.3Å; C958-L1020 WeakPolarHBondContact O-CA 3.23Å; K959-L1020 HydrophobicContact CB-CD2 4.36Å; K959-L1020 HydrophobicContact CG-CD2 3.53Å; N1018-L1020 PolarHBondContact O-N 3.01Å
1021	Q	80.5	Confident	66.1	Low	102 Å²	102	84.3 Å²	84.3	48%	0.477	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	151.8	173.7	-74.7	-174.7	-31.6	0	0	109.9	M957 C958 T960 V1019	M957-Q1021 CarbonylContact C-O 3.6Å; M957-Q1021 WeakPolarHBondContact CA-O 3.47Å; C958-Q1021 PolarHBondContact N-O 2.98Å; C958-Q1021 PolarHBondContact O-N 2.87Å; T960-Q1021 HydrophobicContact CG2-CB 4.16Å; T960-Q1021 VanDerWaalsContact CG2-CD 3.42Å; T960-Q1021 HydrophobicContact CG2-CG 3.73Å; V1019-Q1021 HydrophobicContact CG1-CG 4.49Å
1022	P	84.4	Confident	68.9	Low	46 Å²	46	74.9 Å²	74.9	30%	0.299	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.6	141.6	169.2	-25.6	35.4	0	0	0	111.5	P601 N602 A956 M957	P601-P1022 HydrophobicContact CB-CG 4.24Å; P601-P1022 HydrophobicContact CG-CG 4Å; N602-P1022 WeakPolarHBondContact OD1-CG 3.21Å; A956-P1022 WeakPolarHBondContact O-CA 3.19Å; M957-P1022 HydrophobicContact SD-CB 4.45Å; M957-P1022 HydrophobicContact SD-CG 4.12Å
1023	C	86.1	Confident	71.6	Confident	16 Å²	16	73.2 Å²	73.2	11%	0.108	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	153.9	175.9	67.5	0	0	0	0	111.7	A956 C958	A956-C1023 WeakPolarHBondContact CB-O 3.5Å; A956-C1023 PolarHBondContact N-O 3.29Å; A956-C1023 PolarHBondContact O-N 2.63Å; C958-C1023 VanDerWaalsContact CA-SG 3.53Å; C958-C1023 HydrophobicContact CB-CB 3.57Å; C958-C1023 WeakPolarHBondContact CB-SG 3.3Å; C958-C1023 PolarHBondContact N-SG 3.02Å; C958-C1023 WeakPolarHBondContact SG-CB 3.49Å; C958-C1023 CovalentContact SG-SG 2.02Å; C958-C1023 PolarHBondContact SG-SG 3.19Å
1024	D	87.4	Confident	73.9	Confident	21 Å²	21	71.9 Å²	71.9	11%	0.112	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.2	169.8	-60.8	-12.8	0	0	0	108.9	Y954 V1087 Y1089 R1097	Y954-D1024 HydrophobicContact CD1-CB 4.19Å; Y954-D1024 VanDerWaalsContact CD1-CG 3.5Å; Y954-D1024 WeakPolarHBondContact CD1-OD1 3.44Å; D1024-V1087 HydrophobicContact CB-CB 4.19Å; D1024-V1087 PolarHBondContact O-N 3.28Å; D1024-Y1089 HydrophobicContact CB-CE2 4.08Å; D1024-Y1089 WeakPolarHBondContact OD2-CE2 3.49Å; D1024-Y1089 PolarHBondContact OD2-OH 3.04Å; D1024-R1097 IonicContact OD2-CZ 3.02Å; D1024-R1097 IonicContact OD2-NH1 3.02Å; D1024-R1097 PolarHBondContact OD2-NH1 3.01Å; D1024-R1097 IonicContact OD2-NH2 3.6Å
1025	T	88.3	Confident	76.2	Confident	11 Å²	11	67.6 Å²	67.6	7%	0.067	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	137	175.2	59.8	0	0	0	0	112.5	F952 D953 A956 P1084 K1085	F952-T1025 CarbonylContact C-O 3.57Å; F952-T1025 VanDerWaalsContact CA-O 3.31Å; F952-T1025 WeakPolarHBondContact CA-O 3.4Å; D953-T1025 PolarHBondContact N-O 3.18Å; D953-T1025 PolarHBondContact O-N 3.21Å; D953-T1025 PolarHBondContact O-OG1 3.37Å; A956-T1025 HydrophobicContact CB-CG2 3.69Å; A956-T1025 VanDerWaalsContact CB-OG1 3.31Å; A956-T1025 WeakPolarHBondContact CB-OG1 3.37Å; T1025-P1084 HydrophobicContact CG2-CB 4.49Å; T1025-K1085 CarbonylContact C-O 3.55Å; T1025-K1085 VanDerWaalsContact CA-O 3.26Å; T1025-K1085 WeakPolarHBondContact CA-O 3.44Å
1026	E	88.4	Confident	78.6	Confident	64 Å²	64	60.7 Å²	60.7	30%	0.299	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.1	169.3	-171.5	-159.3	151.7	0	0	109.1	R948 L951 F952 K1085 V1087	R948-E1026 IonicContact NH2-OE1 2.75Å; L951-E1026 WeakPolarHBondContact O-CA 3.44Å; F952-E1026 HydrophobicContact CD1-CB 3.92Å; F952-E1026 HydrophobicContact CD1-CG 4.05Å; F952-E1026 HydrophobicContact CE1-CB 3.8Å; F952-E1026 HydrophobicContact CE1-CG 3.65Å; F952-E1026 HydrophobicContact CZ-CG 4.18Å; E1026-K1085 PolarHBondContact N-O 2.75Å; E1026-K1085 PolarHBondContact O-N 2.94Å; E1026-V1087 HydrophobicContact CB-CG2 3.88Å
1027	Y	87.3	Confident	80.8	Confident	20 Å²	20	57.6 Å²	57.6	8%	0.078	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	140.1	168.5	57.7	-80.7	0	0	0	111.1	G643 L951 D953	G643-Y1027 WeakPolarHBondContact CA-OH 3.37Å; G643-Y1027 VanDerWaalsContact O-CD2 3.28Å; G643-Y1027 WeakPolarHBondContact O-CD2 3.05Å; G643-Y1027 WeakPolarHBondContact O-CE2 3.27Å; L951-Y1027 HydrophobicContact CB-CD1 4.39Å; L951-Y1027 HydrophobicContact CB-CD2 4.07Å; L951-Y1027 HydrophobicContact CB-CE1 3.91Å; L951-Y1027 HydrophobicContact CB-CE2 3.56Å; L951-Y1027 HydrophobicContact CB-CG 4.46Å; L951-Y1027 VanDerWaalsContact CB-CZ 3.48Å; L951-Y1027 HydrophobicContact CD1-CD2 4.43Å; L951-Y1027 HydrophobicContact CD1-CE2 3.47Å; L951-Y1027 VanDerWaalsContact CD1-CE2 3.47Å; L951-Y1027 HydrophobicContact CG-CE2 4.09Å; L951-Y1027 PolarHBondContact N-O 2.9Å; L951-Y1027 PolarHBondContact O-N 2.77Å; D953-Y1027 HydrophobicContact CB-CE1 4.04Å
1028	P	89.4	Confident	82.9	Confident	16 Å²	16	52.4 Å²	52.4	10%	0.104	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	141.9	172.5	33.3	-33.4	0	0	0	110	R948 V949 F1030 L1082	R948-P1028 HydrophobicContact CG-CB 4.33Å; V949-P1028 WeakPolarHBondContact O-CA 3.26Å; P1028-F1030 HydrophobicContact CB-CE2 3.93Å; P1028-F1030 HydrophobicContact CB-CZ 4.14Å; P1028-F1030 HydrophobicContact CG-CE2 4.32Å; P1028-L1082 HydrophobicContact CG-CD2 4.4Å; P1028-L1082 WeakPolarHBondContact O-CD2 3.2Å
1029	S	89.8	Confident	84.5	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.007	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	164.9	160.5	-169.9	0	0	0	0	109.4	R644 V949	R644-S1029 PolarHBondContact O-OG 2.82Å; V949-S1029 PolarHBondContact N-O 2.61Å; V949-S1029 PolarHBondContact O-N 3.17Å
1030	F	89.5	Confident	85.6	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.009	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	144.9	-172.2	-63.3	-91	0	0	0	110.4	N913 F928 M937 I941 F946 K947 R948 P1028 I1080 L1082	N913-F1030 WeakPolarHBondContact CA-O 2.9Å; N913-F1030 PolarHBondContact ND2-O 2.69Å; F928-F1030 AromaticContact CE1-CD2 3.96Å; F928-F1030 HydrophobicContact CE1-CD2 3.96Å; F928-F1030 AromaticContact CE1-CE2 3.79Å; F928-F1030 HydrophobicContact CE1-CE2 3.79Å; F928-F1030 HydrophobicContact CE1-CZ 4.46Å; F928-F1030 HydrophobicContact CE2-CB 4.08Å; F928-F1030 AromaticContact CE2-CD2 3.54Å; F928-F1030 HydrophobicContact CE2-CD2 3.54Å; F928-F1030 HydrophobicContact CE2-CE2 4.24Å; F928-F1030 AromaticContact CE2-CG 3.96Å; F928-F1030 HydrophobicContact CE2-CG 3.96Å; F928-F1030 HydrophobicContact CZ-CB 4.27Å; F928-F1030 HydrophobicContact CZ-CD1 4.33Å; F928-F1030 AromaticContact CZ-CD2 3.15Å; F928-F1030 HydrophobicContact CZ-CD2 3.15Å; F928-F1030 AromaticContact CZ-CE2 3.44Å; F928-F1030 HydrophobicContact CZ-CE2 3.44Å; F928-F1030 VanDerWaalsContact CZ-CE2 3.44Å; F928-F1030 AromaticContact CZ-CG 3.65Å; F928-F1030 HydrophobicContact CZ-CG 3.65Å; F928-F1030 HydrophobicContact CZ-CZ 4.15Å; M937-F1030 HydrophobicContact CE-CB 4.41Å; M937-F1030 HydrophobicContact CE-CG 4.42Å; I941-F1030 HydrophobicContact CD1-CD1 4.11Å; I941-F1030 HydrophobicContact CD1-CE1 3.53Å; I941-F1030 HydrophobicContact CD1-CZ 4.42Å; I941-F1030 HydrophobicContact CG1-CD1 4.38Å; I941-F1030 HydrophobicContact CG1-CE1 4.23Å; F946-F1030 HydrophobicContact CD1-CB 4.28Å; K947-F1030 WeakPolarHBondContact O-CA 3.46Å; R948-F1030 HydrophobicContact CB-CD1 4.1Å; R948-F1030 HydrophobicContact CB-CE1 3.68Å; R948-F1030 HydrophobicContact CB-CZ 4.43Å; R948-F1030 HydrophobicContact CG-CD1 4.45Å; R948-F1030 HydrophobicContact CG-CE1 3.78Å; R948-F1030 HydrophobicContact CG-CZ 4.02Å; P1028-F1030 HydrophobicContact CB-CE2 3.93Å; P1028-F1030 HydrophobicContact CB-CZ 4.14Å; P1028-F1030 HydrophobicContact CG-CE2 4.32Å; F1030-I1080 HydrophobicContact CE2-CG2 4.09Å; F1030-I1080 HydrophobicContact CZ-CG2 3.71Å; F1030-L1082 HydrophobicContact CD2-CD2 3.77Å; F1030-L1082 HydrophobicContact CE2-CD2 3.62Å
1031	I	90.1	Very high	86.1	Confident	30 Å²	30	48 Å²	48	15%	0.154	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	138.1	176.6	-167.6	160	0	0	0	110.3	F648 N912 F946 K947 V949	F648-I1031 HydrophobicContact CD2-CD1 4.03Å; F648-I1031 HydrophobicContact CE2-CD1 3.84Å; F648-I1031 HydrophobicContact CE2-CG2 4.15Å; N912-I1031 WeakPolarHBondContact O-CA 3.48Å; F946-I1031 CarbonylContact C-O 3.6Å; F946-I1031 WeakPolarHBondContact CA-O 3.46Å; K947-I1031 HydrophobicContact CB-CG2 3.98Å; K947-I1031 PolarHBondContact N-O 2.81Å; K947-I1031 PolarHBondContact O-N 3.21Å; K947-I1031 VanDerWaalsContact O-N 3.14Å; V949-I1031 HydrophobicContact CG2-CG2 4.37Å
1032	Y	89.3	Confident	86.4	Confident	19 Å²	19	45.4 Å²	45.4	8%	0.075	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	131.5	172.4	166.6	-116.3	0	0	0	110.5	N912 M945 P1034 V1036 Q1056 L1063	N912-Y1032 WeakPolarHBondContact O-CB 3.26Å; N912-Y1032 PolarHBondContact O-N 3.02Å; M945-Y1032 HydrophobicContact CE-CD2 4.39Å; M945-Y1032 HydrophobicContact CE-CE2 3.72Å; M945-Y1032 HydrophobicContact CG-CD2 3.96Å; M945-Y1032 HydrophobicContact CG-CE2 3.86Å; M945-Y1032 WeakPolarHBondContact O-CA 3.09Å; M945-Y1032 WeakPolarHBondContact O-CD2 3.14Å; Y1032-P1034 HydrophobicContact CE1-CB 4.18Å; Y1032-P1034 WeakPolarHBondContact O-CD 3.15Å; Y1032-V1036 WeakPolarHBondContact CE2-O 3.31Å; Y1032-V1036 PolarHBondContact OH-O 3.43Å; Y1032-Q1056 PolarHBondContact OH-OE1 2.84Å; Y1032-L1063 HydrophobicContact CD1-CD2 4.35Å; Y1032-L1063 HydrophobicContact CD2-CD1 3.74Å; Y1032-L1063 HydrophobicContact CD2-CD2 4.21Å; Y1032-L1063 HydrophobicContact CE1-CD2 4.04Å; Y1032-L1063 HydrophobicContact CE2-CD1 4.13Å; Y1032-L1063 HydrophobicContact CE2-CD2 3.9Å; Y1032-L1063 HydrophobicContact CG-CD1 4.07Å; Y1032-L1063 HydrophobicContact CG-CD2 4.42Å
1033	E	85.7	Confident	86.5	Confident	74 Å²	74	43.4 Å²	43.4	35%	0.346	23%	0.234	S	C	.	.			trans	-93.6	109.7	176.5	-169.4	66.3	-114.7	0	0	109.5	M945 S1035 V1036	M945-E1033 PolarHBondContact O-N 3.19Å; E1033-S1035 PolarHBondContact O-N 3.14Å; E1033-V1036 PolarHBondContact O-N 3.45Å
1034	P	76.9	Confident	86.5	Confident	79 Å²	79	49.7 Å²	49.7	51%	0.513	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-3.9	-170	28.2	-36.2	0	0	0	114.8	Y1032 V1036	Y1032-P1034 HydrophobicContact CE1-CB 4.18Å; Y1032-P1034 WeakPolarHBondContact O-CD 3.15Å; P1034-V1036 PolarHBondContact O-N 2.89Å
1035	S	82.8	Confident	86.3	Confident	102 Å²	102	49.4 Å²	49.4	71%	0.713	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-27.2	171.5	-55	0	0	0	0	113.3	E1033	E1033-S1035 PolarHBondContact O-N 3.14Å
1036	V	82.4	Confident	86	Confident	43 Å²	43	52.3 Å²	52.3	26%	0.261	29%	0.291	S	S	.	.			trans	-114.3	91.6	-174.5	-173.3	0	0	0	0	110.3	M945 Y1032 E1033 P1034 T1039	M945-V1036 WeakPolarHBondContact CE-O 3.33Å; M945-V1036 HydrophobicContact CG-CB 4.42Å; M945-V1036 HydrophobicContact CG-CG1 4.41Å; Y1032-V1036 WeakPolarHBondContact CE2-O 3.31Å; Y1032-V1036 PolarHBondContact OH-O 3.43Å; E1033-V1036 PolarHBondContact O-N 3.45Å; P1034-V1036 PolarHBondContact O-N 2.89Å; V1036-T1039 HydrophobicContact CG1-CG2 3.43Å; V1036-T1039 VanDerWaalsContact CG1-CG2 3.43Å
1037	K	82.6	Confident	85.6	Confident	133 Å²	133	61.9 Å²	61.9	58%	0.578	33%	0.325	S	S	*	.			trans	-77	-25.4	-172.5	-62.4	-176	178.2	178	0	115.2	Q1056	K1037-Q1056 PolarHBondContact O-N 2.89Å
1038	E	85.1	Confident	85.4	Confident	106 Å²	106	63 Å²	63	50%	0.495	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	140.5	-175.9	58.2	-164.2	-150.6	0	0	110.5	Q95 V1054 Q1055	Q95-E1038 PolarHBondContact NE2-OE2 2.99Å; E1038-V1054 VanDerWaalsContact CA-O 3.28Å; E1038-V1054 WeakPolarHBondContact CA-O 3.44Å; E1038-Q1055 PolarHBondContact OE2-NE2 3.19Å; E1038-Q1055 PolarHBondContact OE2-OE1 2.84Å
1039	T	84.8	Confident	85.2	Confident	21 Å²	21	65.2 Å²	65.2	13%	0.129	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	148	173.4	58.9	0	0	0	0	110.5	M945 V1036 V1054	M945-T1039 HydrophobicContact SD-CG2 4.04Å; M945-T1039 PolarHBondContact SD-OG1 3.31Å; V1036-T1039 HydrophobicContact CG1-CG2 3.43Å; V1036-T1039 VanDerWaalsContact CG1-CG2 3.43Å; T1039-V1054 PolarHBondContact N-O 2.86Å; T1039-V1054 VanDerWaalsContact N-O 3.08Å; T1039-V1054 PolarHBondContact O-N 3.4Å
1040	N	88.5	Confident	85	Confident	66 Å²	66	65.8 Å²	65.8	35%	0.353	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	144	170.2	58.4	-8.9	0	0	0	110	M87 F1052 V1053	M87-N1040 WeakPolarHBondContact CE-ND2 3.49Å; N1040-F1052 WeakPolarHBondContact CA-O 3.43Å; N1040-V1053 HydrophobicContact CB-CG2 4.06Å
1041	S	88	Confident	84.9	Confident	35 Å²	35	65.9 Å²	65.9	25%	0.245	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	168	-179.8	-165.6	0	0	0	0	113	M943 M1051 F1052	M943-S1041 WeakPolarHBondContact CE-OG 3.48Å; S1041-M1051 WeakPolarHBondContact O-CA 3.43Å; S1041-F1052 PolarHBondContact N-O 3.14Å; S1041-F1052 VanDerWaalsContact N-O 3.11Å; S1041-F1052 PolarHBondContact O-N 3.41Å
1042	I	87.4	Confident	85	Confident	48 Å²	48	64.5 Å²	64.5	25%	0.246	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	113.6	178.6	-60.9	164.5	0	0	0	108.8	Q1049 M1051	I1042-Q1049 HydrophobicContact CG2-CB 3.83Å; I1042-Q1049 HydrophobicContact CG2-CG 4.41Å; I1042-M1051 HydrophobicContact CG1-CB 4.27Å; I1042-M1051 HydrophobicContact CG1-CG 4.17Å
1043	I	87.6	Confident	85.1	Confident	5 Å²	5	63.7 Å²	63.7	3%	0.026	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.9	177.4	-45.6	-179.2	0	0	0	109	V936 T939 Q1049 K1050 F1052 Y1077	V936-I1043 HydrophobicContact CB-CD1 4.36Å; V936-I1043 HydrophobicContact CG2-CD1 3.82Å; T939-I1043 HydrophobicContact CG2-CD1 4.26Å; T939-I1043 HydrophobicContact CG2-CG1 4.16Å; I1043-Q1049 CarbonylContact O-C 3.56Å; I1043-Q1049 VanDerWaalsContact O-CA 3.31Å; I1043-Q1049 WeakPolarHBondContact O-CA 3.42Å; I1043-K1050 HydrophobicContact CB-CB 4.4Å; I1043-K1050 PolarHBondContact N-O 2.88Å; I1043-K1050 PolarHBondContact O-N 3.33Å; I1043-F1052 HydrophobicContact CD1-CD1 3.86Å; I1043-F1052 HydrophobicContact CD1-CE1 3.84Å; I1043-F1052 HydrophobicContact CG1-CD1 3.97Å; I1043-F1052 HydrophobicContact CG1-CE1 3.83Å; I1043-Y1077 HydrophobicContact CG2-CE2 3.96Å
1044	K	85.6	Confident	85.5	Confident	148 Å²	148	60.1 Å²	60.1	64%	0.643	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	104.4	177.2	-64.7	-177.6	-179.1	178.9	0	110.2	G1046 Q1049	K1044-G1046 PolarHBondContact O-N 3.49Å; K1044-Q1049 HydrophobicContact CG-CG 4.47Å
1045	C	82.9	Confident	86.2	Confident	14 Å²	14	57.1 Å²	57.1	10%	0.095	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	57.4	-176.5	-56	0	0	0	0	111	R1047 C1048 C1073	C1045-R1047 PolarHBondContact O-N 3.25Å; C1045-C1048 PolarHBondContact N-O 2.85Å; C1045-C1073 HydrophobicContact CB-CB 3.87Å; C1045-C1073 WeakPolarHBondContact CB-SG 3.48Å; C1045-C1073 WeakPolarHBondContact SG-CB 3.12Å; C1045-C1073 CovalentContact SG-SG 2.03Å; C1045-C1073 PolarHBondContact SG-SG 3.37Å
1046	G	82	Confident	86.7	Confident	73 Å²	73	54.6 Å²	54.6	75%	0.753	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	-82.1	-178.2	0	0	0	0	0	114	K1044	K1044-G1046 PolarHBondContact O-N 3.49Å
1047	R	79.3	Confident	87.2	Confident	264 Å²	264	52.5 Å²	52.5	100%	0.996	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.8	-16.7	-176.6	-69	-173.1	-177.8	175.7	0.8	114.6	C1045	C1045-R1047 PolarHBondContact O-N 3.25Å
1048	C	84.4	Confident	87.6	Confident	45 Å²	45	48.9 Å²	48.9	30%	0.304	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	160.8	174.9	58	0	0	0	0	111	C1045 C1071	C1045-C1048 PolarHBondContact N-O 2.85Å; C1048-C1071 HydrophobicContact CB-CB 3.73Å; C1048-C1071 WeakPolarHBondContact CB-SG 3.39Å; C1048-C1071 WeakPolarHBondContact SG-CB 3.41Å; C1048-C1071 CovalentContact SG-SG 2.04Å; C1048-C1071 PolarHBondContact SG-SG 3.3Å
1049	Q	84.1	Confident	87.7	Confident	62 Å²	62	48.9 Å²	48.9	29%	0.29	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	139.2	174.1	-60.7	-174.4	16.4	0	0	108	I1042 I1043 K1044	I1042-Q1049 HydrophobicContact CG2-CB 3.83Å; I1042-Q1049 HydrophobicContact CG2-CG 4.41Å; I1043-Q1049 CarbonylContact O-C 3.56Å; I1043-Q1049 VanDerWaalsContact O-CA 3.31Å; I1043-Q1049 WeakPolarHBondContact O-CA 3.42Å; K1044-Q1049 HydrophobicContact CG-CG 4.47Å
1050	K	86.9	Confident	88	Confident	13 Å²	13	48 Å²	48	6%	0.057	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	111.3	-177.9	-172	169.6	-171.2	170.2	0	109.1	D933 I1043 V1067 Q1068 C1071	D933-K1050 WeakPolarHBondContact OD2-CE 3.46Å; D933-K1050 IonicContact OD2-NZ 3.5Å; D933-K1050 PolarHBondContact OD2-NZ 3.08Å; I1043-K1050 HydrophobicContact CB-CB 4.4Å; I1043-K1050 PolarHBondContact N-O 2.88Å; I1043-K1050 PolarHBondContact O-N 3.33Å; K1050-V1067 HydrophobicContact CD-CG1 4.25Å; K1050-V1067 HydrophobicContact CG-CG1 4.22Å; K1050-Q1068 VanDerWaalsContact CE-O 3.29Å; K1050-Q1068 WeakPolarHBondContact CE-O 3.44Å; K1050-C1071 HydrophobicContact CB-CB 4.11Å; K1050-C1071 WeakPolarHBondContact CD-O 3.48Å
1051	M	87.4	Confident	88.1	Confident	4 Å²	4	45 Å²	45	2%	0.02	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	145.3	175.6	-173.1	176.9	177.2	0	0	110.9	M87 K88 I89 S1041 I1042 V1053 Q1068	M87-M1051 HydrophobicContact CB-CE 3.81Å; M87-M1051 HydrophobicContact CB-SD 4.12Å; M87-M1051 HydrophobicContact CG-CE 3.72Å; M87-M1051 HydrophobicContact CG-SD 4.31Å; M87-M1051 HydrophobicContact SD-CE 4.2Å; K88-M1051 PolarHBondContact N-SD 3.34Å; K88-M1051 VanDerWaalsContact N-SD 3.44Å; I89-M1051 HydrophobicContact CB-CE 4.16Å; I89-M1051 HydrophobicContact CB-SD 4.09Å; I89-M1051 HydrophobicContact CD1-CB 4.47Å; I89-M1051 HydrophobicContact CD1-CG 4.41Å; I89-M1051 HydrophobicContact CG1-SD 4.33Å; I89-M1051 WeakPolarHBondContact O-CE 3.47Å; S1041-M1051 WeakPolarHBondContact O-CA 3.43Å; I1042-M1051 HydrophobicContact CG1-CB 4.27Å; I1042-M1051 HydrophobicContact CG1-CG 4.17Å; M1051-V1053 HydrophobicContact CE-CG2 3.96Å; M1051-Q1068 PolarHBondContact O-N 3.49Å
1052	F	91.3	Very high	88.4	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	155.6	165.6	70.2	-93.9	0	0	0	112	V936 T939 L940 M943 N1040 S1041 I1043 V1054 L1065 V1066 V1067	V936-F1052 HydrophobicContact CG1-CB 4.34Å; V936-F1052 HydrophobicContact CG1-CD1 4.05Å; V936-F1052 HydrophobicContact CG1-CD2 4.16Å; V936-F1052 HydrophobicContact CG1-CE1 4.37Å; V936-F1052 HydrophobicContact CG1-CE2 4.5Å; V936-F1052 HydrophobicContact CG1-CG 3.92Å; V936-F1052 HydrophobicContact CG2-CB 4.39Å; V936-F1052 HydrophobicContact CG2-CD1 4.12Å; V936-F1052 HydrophobicContact CG2-CG 4.41Å; T939-F1052 VanDerWaalsContact OG1-CE1 3.29Å; T939-F1052 WeakPolarHBondContact OG1-CE1 3.28Å; L940-F1052 HydrophobicContact CD2-CD2 4.44Å; L940-F1052 HydrophobicContact CD2-CE2 3.59Å; L940-F1052 HydrophobicContact CD2-CZ 4.06Å; L940-F1052 HydrophobicContact CG-CE2 4.42Å; M943-F1052 HydrophobicContact CE-CZ 4.06Å; M943-F1052 HydrophobicContact SD-CZ 4.07Å; N1040-F1052 WeakPolarHBondContact CA-O 3.43Å; S1041-F1052 PolarHBondContact N-O 3.14Å; S1041-F1052 VanDerWaalsContact N-O 3.11Å; S1041-F1052 PolarHBondContact O-N 3.41Å; I1043-F1052 HydrophobicContact CD1-CD1 3.86Å; I1043-F1052 HydrophobicContact CD1-CE1 3.84Å; I1043-F1052 HydrophobicContact CG1-CD1 3.97Å; I1043-F1052 HydrophobicContact CG1-CE1 3.83Å; F1052-V1054 HydrophobicContact CD2-CG2 3.74Å; F1052-V1054 HydrophobicContact CE2-CG2 3.91Å; F1052-L1065 HydrophobicContact CB-CD1 4.2Å; F1052-L1065 HydrophobicContact CD2-CD1 4.26Å; F1052-V1066 CarbonylContact C-O 3.56Å; F1052-V1066 VanDerWaalsContact CA-O 3.27Å; F1052-V1066 WeakPolarHBondContact CA-O 3.24Å; F1052-V1067 HydrophobicContact CB-CG1 4.45Å; F1052-V1067 HydrophobicContact CB-CG2 4.21Å
1053	V	91.7	Very high	88.7	Confident	2 Å²	2	41.3 Å²	41.3	1%	0.012	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.8	172.5	-178.8	0	0	0	0	108.5	I89 P91 V94 N1040 M1051 L1065 V1066	I89-V1053 HydrophobicContact CB-CG2 4.1Å; I89-V1053 HydrophobicContact CG2-CB 4.47Å; I89-V1053 HydrophobicContact CG2-CG2 3.79Å; P91-V1053 HydrophobicContact CB-CG1 4.11Å; V94-V1053 HydrophobicContact CB-CG1 4.14Å; V94-V1053 HydrophobicContact CG1-CG1 4.22Å; V94-V1053 HydrophobicContact CG2-CB 4.37Å; V94-V1053 HydrophobicContact CG2-CG1 4.17Å; N1040-V1053 HydrophobicContact CB-CG2 4.06Å; M1051-V1053 HydrophobicContact CE-CG2 3.96Å; V1053-L1065 WeakPolarHBondContact O-CA 3.34Å; V1053-V1066 PolarHBondContact N-O 3.47Å; V1053-V1066 PolarHBondContact O-N 2.96Å
1054	V	92.9	Very high	89	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	132.2	176.1	-158.3	0	0	0	0	110	L940 M945 E1038 T1039 F1052 L1063 M1064 L1065	L940-V1054 HydrophobicContact CD1-CG2 4.49Å; L940-V1054 HydrophobicContact CD2-CG2 3.66Å; M945-V1054 HydrophobicContact CE-CB 3.98Å; M945-V1054 HydrophobicContact CE-CG1 3.64Å; M945-V1054 HydrophobicContact SD-CB 4.08Å; M945-V1054 HydrophobicContact SD-CG1 4Å; M945-V1054 HydrophobicContact SD-CG2 4.33Å; E1038-V1054 VanDerWaalsContact CA-O 3.28Å; E1038-V1054 WeakPolarHBondContact CA-O 3.44Å; T1039-V1054 PolarHBondContact N-O 2.86Å; T1039-V1054 VanDerWaalsContact N-O 3.08Å; T1039-V1054 PolarHBondContact O-N 3.4Å; F1052-V1054 HydrophobicContact CD2-CG2 3.74Å; F1052-V1054 HydrophobicContact CE2-CG2 3.91Å; V1054-L1063 HydrophobicContact CG1-CB 4.16Å; V1054-M1064 CarbonylContact C-O 3.46Å; V1054-M1064 WeakPolarHBondContact CA-O 3.22Å; V1054-L1065 HydrophobicContact CG2-CD1 3.63Å
1055	Q	93.3	Very high	89.3	Confident	16 Å²	16	34 Å²	34	8%	0.075	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	134.7	173.9	-165	75.7	36.7	0	0	110.9	V94 Q95 A98 E1038 L1063 M1064	V94-Q1055 HydrophobicContact CG1-CB 4.29Å; Q95-Q1055 HydrophobicContact CB-CG 4.42Å; Q95-Q1055 HydrophobicContact CG-CG 4.33Å; A98-Q1055 HydrophobicContact CB-CB 4.12Å; A98-Q1055 HydrophobicContact CB-CG 3.92Å; E1038-Q1055 PolarHBondContact OE2-NE2 3.19Å; E1038-Q1055 PolarHBondContact OE2-OE1 2.84Å; Q1055-L1063 WeakPolarHBondContact O-CA 3.18Å; Q1055-M1064 PolarHBondContact N-O 2.88Å; Q1055-M1064 PolarHBondContact O-N 3.29Å
1056	Q	92.8	Very high	89.8	Confident	48 Å²	48	33.4 Å²	33.4	22%	0.224	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	133	166.3	-174.6	176.9	7.6	0	0	111.8	Y1032 K1037 L1063	Y1032-Q1056 PolarHBondContact OH-OE1 2.84Å; K1037-Q1056 PolarHBondContact O-N 2.89Å; Q1056-L1063 HydrophobicContact CB-CD2 3.92Å; Q1056-L1063 HydrophobicContact CG-CD2 4.1Å
1057	I	93.3	Very high	90.1	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-84.7	118.6	175	-58.8	175.8	0	0	0	108.2	A98 F101 G102 V909 S1060 L1062 M1064	A98-I1057 HydrophobicContact CB-CG1 4.15Å; F101-I1057 HydrophobicContact CD1-CD1 3.92Å; F101-I1057 HydrophobicContact CD1-CG2 4.23Å; F101-I1057 HydrophobicContact CE1-CD1 4.2Å; G102-I1057 VanDerWaalsContact CA-CG2 3.46Å; V909-I1057 HydrophobicContact CG1-CD1 3.84Å; V909-I1057 HydrophobicContact CG2-CD1 4.37Å; I1057-S1060 WeakPolarHBondContact CB-OG 3.45Å; I1057-S1060 WeakPolarHBondContact CG2-OG 3.05Å; I1057-S1060 PolarHBondContact O-OG 2.88Å; I1057-L1062 HydrophobicContact CB-CB 4.19Å; I1057-L1062 WeakPolarHBondContact CB-O 3.3Å; I1057-L1062 HydrophobicContact CD1-CB 3.81Å; I1057-L1062 HydrophobicContact CG1-CB 4.37Å; I1057-L1062 PolarHBondContact N-O 2.83Å; I1057-M1064 HydrophobicContact CD1-CB 4.01Å; I1057-M1064 HydrophobicContact CG1-CB 3.99Å
1058	P	90	Very high	90.5	Very high	56 Å²	56	18 Å²	18	36%	0.364	9%	0.094	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	154.9	-174.5	27.2	-34.9	0	0	0	112.6	S1060	P1058-S1060 PolarHBondContact O-N 2.81Å; P1058-S1060 VanDerWaalsContact O-N 3.15Å
1059	E	86.8	Confident	90.2	Very high	107 Å²	107	17.2 Å²	17.2	50%	0.5	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.5	17.6	-177.3	-58.4	-178.2	-165.9	0	0	114.9	A106 F829	A106-E1059 HydrophobicContact CB-CB 4.44Å; F829-E1059 PolarHBondContact N-O 2.94Å
1060	S	91.1	Very high	89.8	Confident	1 Å²	1	18.8 Å²	18.8	1%	0.007	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-146.3	162.7	-177.8	81.3	0	0	0	0	113	Y824 I1057 P1058 L1062	Y824-S1060 PolarHBondContact OH-O 2.99Å; Y824-S1060 VanDerWaalsContact OH-O 3.07Å; I1057-S1060 WeakPolarHBondContact CB-OG 3.45Å; I1057-S1060 WeakPolarHBondContact CG2-OG 3.05Å; I1057-S1060 PolarHBondContact O-OG 2.88Å; P1058-S1060 PolarHBondContact O-N 2.81Å; P1058-S1060 VanDerWaalsContact O-N 3.15Å; S1060-L1062 PolarHBondContact O-N 2.83Å; S1060-L1062 WeakPolarHBondContact OG-CB 3.45Å; S1060-L1062 PolarHBondContact OG-N 3.39Å
1061	N	91.5	Very high	89.6	Confident	5 Å²	5	18.5 Å²	18.5	3%	0.027	10%	0.103	C	C	.	.	S	Bend	trans	-82	13.5	172.4	70.2	-51.3	0	0	0	113.6	Y824 L830 Y831 N912	Y824-N1061 HydrophobicContact CD2-CB 4.41Å; Y824-N1061 HydrophobicContact CE2-CB 3.72Å; Y824-N1061 PolarHBondContact OH-N 2.81Å; L830-N1061 HydrophobicContact CD1-CB 3.92Å; Y831-N1061 PolarHBondContact N-OD1 3.4Å; Y831-N1061 PolarHBondContact O-ND2 3.12Å; Y831-N1061 PolarHBondContact O-OD1 3.05Å; N912-N1061 HydrophobicContact CB-CB 4.31Å; N912-N1061 PolarHBondContact N-O 3.14Å; N912-N1061 VanDerWaalsContact N-O 3.1Å; N912-N1061 PolarHBondContact OD1-ND2 3.34Å
1062	L	93.4	Very high	89.3	Confident	4 Å²	4	23.6 Å²	23.6	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	148	-167.7	-56.4	-174.5	0	0	0	112.4	I105 Y831 V909 I910 D911 L917 I1057 S1060	I105-L1062 HydrophobicContact CD1-CD1 4.44Å; Y831-L1062 HydrophobicContact CD2-CD1 4Å; Y831-L1062 HydrophobicContact CD2-CG 4.25Å; Y831-L1062 HydrophobicContact CG-CD1 4.17Å; V909-L1062 HydrophobicContact CG1-CB 3.98Å; V909-L1062 HydrophobicContact CG1-CD1 3.93Å; V909-L1062 HydrophobicContact CG1-CG 4.4Å; I910-L1062 WeakPolarHBondContact O-CA 3.31Å; D911-L1062 HydrophobicContact CB-CD2 4.26Å; L917-L1062 HydrophobicContact CD1-CD1 4.33Å; L917-L1062 HydrophobicContact CD1-CD2 3.25Å; L917-L1062 HydrophobicContact CD1-CG 4.41Å; I1057-L1062 HydrophobicContact CB-CB 4.19Å; I1057-L1062 WeakPolarHBondContact CB-O 3.3Å; I1057-L1062 HydrophobicContact CD1-CB 3.81Å; I1057-L1062 HydrophobicContact CG1-CB 4.37Å; I1057-L1062 PolarHBondContact N-O 2.83Å; S1060-L1062 PolarHBondContact O-N 2.83Å; S1060-L1062 WeakPolarHBondContact OG-CB 3.45Å; S1060-L1062 PolarHBondContact OG-N 3.39Å
1063	L	93.9	Very high	88.9	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	132.4	172	-50.3	175.3	0	0	0	109	V909 I910 M945 F946 Y1032 V1054 Q1055 Q1056	V909-L1063 WeakPolarHBondContact CA-O 3.25Å; I910-L1063 HydrophobicContact CD1-CB 4.35Å; I910-L1063 HydrophobicContact CD1-CD1 4.21Å; I910-L1063 HydrophobicContact CG1-CB 3.79Å; I910-L1063 HydrophobicContact CG1-CD1 4.3Å; I910-L1063 HydrophobicContact CG1-CG 4.43Å; I910-L1063 PolarHBondContact N-O 3.07Å; I910-L1063 PolarHBondContact O-N 2.84Å; M945-L1063 HydrophobicContact CE-CD1 4.26Å; M945-L1063 HydrophobicContact CE-CD2 4.42Å; F946-L1063 HydrophobicContact CE2-CD1 3.79Å; F946-L1063 HydrophobicContact CZ-CD1 3.76Å; Y1032-L1063 HydrophobicContact CD1-CD2 4.35Å; Y1032-L1063 HydrophobicContact CD2-CD1 3.74Å; Y1032-L1063 HydrophobicContact CD2-CD2 4.21Å; Y1032-L1063 HydrophobicContact CE1-CD2 4.04Å; Y1032-L1063 HydrophobicContact CE2-CD1 4.13Å; Y1032-L1063 HydrophobicContact CE2-CD2 3.9Å; Y1032-L1063 HydrophobicContact CG-CD1 4.07Å; Y1032-L1063 HydrophobicContact CG-CD2 4.42Å; V1054-L1063 HydrophobicContact CG1-CB 4.16Å; Q1055-L1063 WeakPolarHBondContact O-CA 3.18Å; Q1056-L1063 HydrophobicContact CB-CD2 3.92Å; Q1056-L1063 HydrophobicContact CG-CD2 4.1Å
1064	M	93.9	Very high	88.5	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	127.7	168.3	-176.2	179.6	-79	0	0	108.3	V94 W97 A98 F101 F877 V1054 Q1055 I1057 V1066	V94-M1064 HydrophobicContact CG1-CG 4.2Å; V94-M1064 HydrophobicContact CG1-SD 3.87Å; W97-M1064 HydrophobicContact CB-CE 3.87Å; W97-M1064 HydrophobicContact CB-SD 3.79Å; A98-M1064 HydrophobicContact CB-CB 4.31Å; A98-M1064 HydrophobicContact CB-CE 4.3Å; A98-M1064 HydrophobicContact CB-SD 4.1Å; F101-M1064 HydrophobicContact CB-CE 4.45Å; F877-M1064 HydrophobicContact CD2-CE 4.32Å; F877-M1064 HydrophobicContact CE2-CE 3.59Å; F877-M1064 HydrophobicContact CZ-CE 4.38Å; V1054-M1064 CarbonylContact C-O 3.46Å; V1054-M1064 WeakPolarHBondContact CA-O 3.22Å; Q1055-M1064 PolarHBondContact N-O 2.88Å; Q1055-M1064 PolarHBondContact O-N 3.29Å; I1057-M1064 HydrophobicContact CD1-CB 4.01Å; I1057-M1064 HydrophobicContact CG1-CB 3.99Å; M1064-V1066 HydrophobicContact CG-CG2 4.43Å
1065	L	93.3	Very high	87.9	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.9	-179.2	168.7	65.8	0	0	0	108.8	Y908 F929 V936 F1052 V1053 V1054 V1067	Y908-L1065 PolarHBondContact N-O 3.08Å; Y908-L1065 PolarHBondContact O-N 3.09Å; F929-L1065 HydrophobicContact CD1-CD2 4.15Å; F929-L1065 HydrophobicContact CD2-CD2 4.26Å; F929-L1065 HydrophobicContact CE1-CD2 3.49Å; F929-L1065 VanDerWaalsContact CE1-CD2 3.49Å; F929-L1065 HydrophobicContact CE2-CD2 3.61Å; F929-L1065 HydrophobicContact CZ-CD2 3.2Å; V936-L1065 HydrophobicContact CG1-CD1 4.05Å; V936-L1065 HydrophobicContact CG1-CD2 4.23Å; F1052-L1065 HydrophobicContact CB-CD1 4.2Å; F1052-L1065 HydrophobicContact CD2-CD1 4.26Å; V1053-L1065 WeakPolarHBondContact O-CA 3.34Å; V1054-L1065 HydrophobicContact CG2-CD1 3.63Å; L1065-V1067 HydrophobicContact CD1-CG2 3.79Å; L1065-V1067 HydrophobicContact CD2-CG2 4.15Å; L1065-V1067 HydrophobicContact CG-CG2 3.68Å
1066	V	91.6	Very high	87.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127	177	-175.4	0	0	0	0	108.7	I89 V94 I905 F1052 V1053 M1064	I89-V1066 HydrophobicContact CD1-CG1 4.34Å; I89-V1066 HydrophobicContact CG2-CG1 4.29Å; V94-V1066 HydrophobicContact CG1-CG2 3.87Å; V94-V1066 HydrophobicContact CG2-CB 4.27Å; V94-V1066 HydrophobicContact CG2-CG2 3.95Å; I905-V1066 HydrophobicContact CB-CG1 4.25Å; I905-V1066 HydrophobicContact CD1-CG1 4.14Å; I905-V1066 HydrophobicContact CG2-CG1 4.49Å; F1052-V1066 CarbonylContact C-O 3.56Å; F1052-V1066 VanDerWaalsContact CA-O 3.27Å; F1052-V1066 WeakPolarHBondContact CA-O 3.24Å; V1053-V1066 PolarHBondContact N-O 3.47Å; V1053-V1066 PolarHBondContact O-N 2.96Å; M1064-V1066 HydrophobicContact CG-CG2 4.43Å
1067	V	90.3	Very high	87.1	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142.1	-169.3	-169.8	0	0	0	0	109.5	I905 E906 Y908 V936 K1050 F1052 L1065	I905-V1067 CarbonylContact C-O 3.58Å; I905-V1067 VanDerWaalsContact CA-O 3.29Å; I905-V1067 WeakPolarHBondContact CA-O 3.41Å; E906-V1067 PolarHBondContact N-O 2.87Å; E906-V1067 PolarHBondContact O-N 2.92Å; Y908-V1067 HydrophobicContact CD2-CG2 4.33Å; Y908-V1067 HydrophobicContact CE2-CG2 4.49Å; V936-V1067 HydrophobicContact CG2-CG1 4.05Å; V936-V1067 HydrophobicContact CG2-CG2 4.48Å; K1050-V1067 HydrophobicContact CD-CG1 4.25Å; K1050-V1067 HydrophobicContact CG-CG1 4.22Å; F1052-V1067 HydrophobicContact CB-CG1 4.45Å; F1052-V1067 HydrophobicContact CB-CG2 4.21Å; L1065-V1067 HydrophobicContact CD1-CG2 3.79Å; L1065-V1067 HydrophobicContact CD2-CG2 4.15Å; L1065-V1067 HydrophobicContact CG-CG2 3.68Å
1068	Q	86.7	Confident	86.8	Confident	15 Å²	15	48 Å²	48	7%	0.07	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	129.6	175.5	-167.8	-172.9	-13.3	0	0	111.4	I89 K1050 M1051 D1070	I89-Q1068 HydrophobicContact CD1-CB 4.42Å; K1050-Q1068 VanDerWaalsContact CE-O 3.29Å; K1050-Q1068 WeakPolarHBondContact CE-O 3.44Å; M1051-Q1068 PolarHBondContact O-N 3.49Å; Q1068-D1070 HydrophobicContact CG-CB 4.48Å; Q1068-D1070 PolarHBondContact NE2-OD2 3.13Å
1069	G	77.2	Confident	86.6	Confident	28 Å²	28	49.1 Å²	49.1	29%	0.289	26%	0.256	S	S	.	.	S	Bend	trans	-78.8	-17.7	-173.9	0	0	0	0	0	115.8	D904 C1071	D904-G1069 PolarHBondContact O-N 3.39Å; G1069-C1071 PolarHBondContact O-N 2.9Å
1070	D	77.4	Confident	86.7	Confident	95 Å²	95	45.8 Å²	45.8	51%	0.508	24%	0.242	S	C	.	.	S	Bend	trans	-66.3	-5.6	-167.2	-55.5	-24.2	0	0	0	116.6	K88 Q1068	K88-D1070 IonicContact NZ-OD2 3.84Å; Q1068-D1070 HydrophobicContact CG-CB 4.48Å; Q1068-D1070 PolarHBondContact NE2-OD2 3.13Å
1071	C	81.8	Confident	86.5	Confident	6 Å²	6	48.2 Å²	48.2	4%	0.041	26%	0.257	C	S	.	.			trans	-141.3	117.3	-163.5	-177.5	0	0	0	0	113.1	C1048 K1050 G1069	C1048-C1071 HydrophobicContact CB-CB 3.73Å; C1048-C1071 WeakPolarHBondContact CB-SG 3.39Å; C1048-C1071 WeakPolarHBondContact SG-CB 3.41Å; C1048-C1071 CovalentContact SG-SG 2.04Å; C1048-C1071 PolarHBondContact SG-SG 3.3Å; K1050-C1071 HydrophobicContact CB-CB 4.11Å; K1050-C1071 WeakPolarHBondContact CD-O 3.48Å; G1069-C1071 PolarHBondContact O-N 2.9Å
1072	D	81.8	Confident	86.1	Confident	111 Å²	111	49.5 Å²	49.5	59%	0.594	26%	0.263	S	S	*	.			trans	-88.3	116.5	170.6	175	23.7	0	0	0	111.1	S1074	D1072-S1074 WeakPolarHBondContact OD1-CB 3.43Å; D1072-S1074 PolarHBondContact OD1-N 2.75Å; D1072-S1074 PolarHBondContact OD1-OG 3.1Å
1073	C	83.1	Confident	85.7	Confident	5 Å²	5	53.2 Å²	53.2	3%	0.034	29%	0.286	C	S	.	.			trans	-100.3	-0.4	-178.3	-61.5	0	0	0	0	113.7	S935 C1045 R1075 Q1076 Y1077	S935-C1073 WeakPolarHBondContact OG-CB 3.39Å; C1045-C1073 HydrophobicContact CB-CB 3.87Å; C1045-C1073 WeakPolarHBondContact CB-SG 3.48Å; C1045-C1073 WeakPolarHBondContact SG-CB 3.12Å; C1045-C1073 CovalentContact SG-SG 2.03Å; C1045-C1073 PolarHBondContact SG-SG 3.37Å; C1073-R1075 PolarHBondContact O-N 3.5Å; C1073-Q1076 PolarHBondContact O-N 2.69Å; C1073-Y1077 HydrophobicContact CB-CD2 4.25Å; C1073-Y1077 PolarHBondContact O-N 2.93Å; C1073-Y1077 VanDerWaalsContact O-N 3.12Å
1074	S	81.9	Confident	85.3	Confident	78 Å²	78	56.8 Å²	56.8	55%	0.545	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.9	-168.6	-52.8	0	0	0	0	114.9	D1072	D1072-S1074 WeakPolarHBondContact OD1-CB 3.43Å; D1072-S1074 PolarHBondContact OD1-N 2.75Å; D1072-S1074 PolarHBondContact OD1-OG 3.1Å
1075	R	81.2	Confident	85	Confident	248 Å²	248	63.3 Å²	63.3	94%	0.936	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-26	176.6	-68.1	-174.1	-179.9	-175.3	0.5	113.9	C1073	C1073-R1075 PolarHBondContact O-N 3.5Å
1076	Q	84	Confident	84.7	Confident	105 Å²	105	67.4 Å²	67.4	49%	0.491	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	-31.5	-177.7	-174.6	174.2	-14.3	0	0	111.5	C1073	C1073-Q1076 PolarHBondContact O-N 2.69Å
1077	Y	84.8	Confident	84.4	Confident	49 Å²	49	69.2 Å²	69.2	19%	0.192	37%	0.367	C	S	.	.	S	Bend	trans	-118.4	104.9	178.4	-61.6	-88.3	0	0	0	109.1	T938 I1043 C1073	T938-Y1077 HydrophobicContact CG2-CD1 4.16Å; T938-Y1077 HydrophobicContact CG2-CE1 4.27Å; I1043-Y1077 HydrophobicContact CG2-CE2 3.96Å; C1073-Y1077 HydrophobicContact CB-CD2 4.25Å; C1073-Y1077 PolarHBondContact O-N 2.93Å; C1073-Y1077 VanDerWaalsContact O-N 3.12Å
1078	P	86.8	Confident	84	Confident	93 Å²	93	76 Å²	76	60%	0.604	40%	0.397	S	S	*	.			trans	-67.5	152.3	176	29.3	-34.4	0	0	0	110.7	I1080	P1078-I1080 PolarHBondContact O-N 2.7Å
1079	P	87.4	Confident	83.6	Confident	80 Å²	80	79.5 Å²	79.5	52%	0.519	41%	0.41	S	S	.	.			trans	-62.9	137	176.8	26.5	-34.3	0	0	0	111.2	G930 T1081	G930-P1079 CarbonylContact O-C 3.59Å; G930-P1079 WeakPolarHBondContact O-CA 3.48Å; P1079-T1081 PolarHBondContact O-N 3Å
1080	I	87.9	Confident	83.8	Confident	37 Å²	37	83.9 Å²	83.9	19%	0.19	43%	0.427	C	S	.	.			trans	-87.8	105.2	176.5	-56.1	176.6	0	0	0	107.6	F928 G930 E931 M937 I941 F1030 P1078	F928-I1080 WeakPolarHBondContact CD1-O 3.47Å; F928-I1080 HydrophobicContact CE1-CB 4.25Å; F928-I1080 HydrophobicContact CE1-CG2 4.02Å; G930-I1080 CarbonylContact C-O 3.52Å; G930-I1080 PolarHBondContact O-N 3.02Å; E931-I1080 WeakPolarHBondContact CG-O 3.47Å; E931-I1080 PolarHBondContact N-O 3.42Å; M937-I1080 HydrophobicContact CB-CD1 4.34Å; M937-I1080 HydrophobicContact CG-CD1 4.29Å; I941-I1080 HydrophobicContact CD1-CD1 3.93Å; F1030-I1080 HydrophobicContact CE2-CG2 4.09Å; F1030-I1080 HydrophobicContact CZ-CG2 3.71Å; P1078-I1080 PolarHBondContact O-N 2.7Å
1081	T	85.8	Confident	83.7	Confident	53 Å²	53	83.2 Å²	83.2	33%	0.325	44%	0.435	S	S	.	.			trans	-92	146.6	-179.9	61.8	0	0	0	0	112.3	E931 P1079 V1083	E931-T1081 HydrophobicContact CG-CG2 4.41Å; P1079-T1081 PolarHBondContact O-N 3Å; T1081-V1083 VanDerWaalsContact C-N 3.25Å; T1081-V1083 PolarHBondContact O-N 3.37Å
1082	L	84.6	Confident	83.6	Confident	31 Å²	31	86.3 Å²	86.3	16%	0.162	46%	0.456	C	S	.	.			trans	-90.3	19.4	171.3	-54.3	-175.8	0	0	0	112.5	F915 F928 P1028 F1030	F915-L1082 HydrophobicContact CE1-CD1 3.9Å; F915-L1082 HydrophobicContact CE2-CD1 4.39Å; F915-L1082 HydrophobicContact CZ-CD1 3.49Å; F915-L1082 VanDerWaalsContact CZ-CD1 3.49Å; F928-L1082 HydrophobicContact CB-CD1 3.59Å; F928-L1082 HydrophobicContact CB-CG 3.85Å; F928-L1082 HydrophobicContact CD1-CD1 4.31Å; F928-L1082 HydrophobicContact CD1-CD2 3.78Å; F928-L1082 HydrophobicContact CD1-CG 3.81Å; F928-L1082 HydrophobicContact CD2-CD1 3.91Å; F928-L1082 HydrophobicContact CD2-CD2 4.18Å; F928-L1082 HydrophobicContact CD2-CG 4.27Å; F928-L1082 HydrophobicContact CE1-CD2 3.9Å; F928-L1082 HydrophobicContact CE1-CG 4.44Å; F928-L1082 HydrophobicContact CE2-CD2 4.3Å; F928-L1082 HydrophobicContact CG-CD1 3.68Å; F928-L1082 HydrophobicContact CG-CD2 3.93Å; F928-L1082 HydrophobicContact CG-CG 3.71Å; F928-L1082 HydrophobicContact CZ-CD2 4.17Å; P1028-L1082 HydrophobicContact CG-CD2 4.4Å; P1028-L1082 WeakPolarHBondContact O-CD2 3.2Å; F1030-L1082 HydrophobicContact CD2-CD2 3.77Å; F1030-L1082 HydrophobicContact CE2-CD2 3.62Å
1083	V	84.4	Confident	83.6	Confident	83 Å²	83	84.2 Å²	84.2	50%	0.503	45%	0.447	S	S	.	.			trans	-76	126.6	-176.3	176.6	0	0	0	0	109.2	T1081	T1081-V1083 VanDerWaalsContact C-N 3.25Å; T1081-V1083 PolarHBondContact O-N 3.37Å
1084	P	85.4	Confident	83.4	Confident	75 Å²	75	88.4 Å²	88.4	49%	0.487	47%	0.465	S	S	.	.			trans	-62	139.8	177.6	25.1	-34	0	0	0	111.3	T1025	T1025-P1084 HydrophobicContact CG2-CB 4.49Å
1085	K	88.1	Confident	83.3	Confident	138 Å²	138	85.5 Å²	85.5	60%	0.6	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.3	-179.5	-66.5	176.2	-177.1	173.2	0	109.4	T1025 E1026 V1087	T1025-K1085 CarbonylContact C-O 3.55Å; T1025-K1085 VanDerWaalsContact CA-O 3.26Å; T1025-K1085 WeakPolarHBondContact CA-O 3.44Å; E1026-K1085 PolarHBondContact N-O 2.75Å; E1026-K1085 PolarHBondContact O-N 2.94Å; K1085-V1087 PolarHBondContact O-N 3.06Å
1086	E	86.6	Confident	83.4	Confident	86 Å²	86	77.9 Å²	77.9	40%	0.402	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	123.3	173.2	-174.5	-168.1	169.6	0	0	110.5	K1088	E1086-K1088 HydrophobicContact CG-CG 4.4Å; E1086-K1088 PolarHBondContact O-N 3.08Å; E1086-K1088 WeakPolarHBondContact OE1-CE 3.39Å; E1086-K1088 IonicContact OE1-NZ 2.68Å; E1086-K1088 PolarHBondContact OE1-NZ 3.01Å; E1086-K1088 WeakPolarHBondContact OE2-CE 3.4Å; E1086-K1088 IonicContact OE2-NZ 3.16Å; E1086-K1088 PolarHBondContact OE2-NZ 2.74Å
1087	V	84.8	Confident	83.1	Confident	37 Å²	37	77.8 Å²	77.8	22%	0.224	42%	0.418	C	S	.	.			trans	-78.9	111.9	175.7	-178.5	0	0	0	0	108.4	F952 D1024 E1026 K1085 Y1089	F952-V1087 HydrophobicContact CD1-CG2 4.32Å; F952-V1087 HydrophobicContact CE1-CG2 4.38Å; D1024-V1087 HydrophobicContact CB-CB 4.19Å; D1024-V1087 PolarHBondContact O-N 3.28Å; E1026-V1087 HydrophobicContact CB-CG2 3.88Å; K1085-V1087 PolarHBondContact O-N 3.06Å; V1087-Y1089 HydrophobicContact CB-CE2 4.38Å; V1087-Y1089 HydrophobicContact CG1-CD1 4.39Å; V1087-Y1089 HydrophobicContact CG1-CE1 3.83Å; V1087-Y1089 HydrophobicContact CG1-CE2 4.02Å
1088	K	81.8	Confident	82.7	Confident	143 Å²	143	76.8 Å²	76.8	62%	0.622	42%	0.415	S	S	*	.			trans	-96.5	99.6	179.6	-62.1	-163.3	179	-153.6	0	110.6	E1086	E1086-K1088 HydrophobicContact CG-CG 4.4Å; E1086-K1088 PolarHBondContact O-N 3.08Å; E1086-K1088 WeakPolarHBondContact OE1-CE 3.39Å; E1086-K1088 IonicContact OE1-NZ 2.68Å; E1086-K1088 PolarHBondContact OE1-NZ 3.01Å; E1086-K1088 WeakPolarHBondContact OE2-CE 3.4Å; E1086-K1088 IonicContact OE2-NZ 3.16Å; E1086-K1088 PolarHBondContact OE2-NZ 2.74Å
1089	Y	78.3	Confident	82.3	Confident	88 Å²	88	77.7 Å²	77.7	35%	0.345	41%	0.406	S	S	.	.			trans	-66.5	137.9	172.6	-58.6	-74.9	0	0	0	111.1	D1024 V1087 V1093	D1024-Y1089 HydrophobicContact CB-CE2 4.08Å; D1024-Y1089 WeakPolarHBondContact OD2-CE2 3.49Å; D1024-Y1089 PolarHBondContact OD2-OH 3.04Å; V1087-Y1089 HydrophobicContact CB-CE2 4.38Å; V1087-Y1089 HydrophobicContact CG1-CD1 4.39Å; V1087-Y1089 HydrophobicContact CG1-CE1 3.83Å; V1087-Y1089 HydrophobicContact CG1-CE2 4.02Å; Y1089-V1093 HydrophobicContact CD1-CG1 4.04Å
1090	N	82.5	Confident	81.6	Confident	120 Å²	120	77.3 Å²	77.3	64%	0.642	41%	0.406	S	S	*	.			trans	-63.8	149.1	167.6	-70.6	-28.8	0	0	0	109.7	S1092 V1093 K1094	N1090-S1092 PolarHBondContact O-N 2.75Å; N1090-S1092 VanDerWaalsContact O-N 3.16Å; N1090-V1093 HydrophobicContact CB-CG2 4.22Å; N1090-V1093 PolarHBondContact O-N 2.81Å; N1090-K1094 PolarHBondContact O-N 2.59Å
1091	A	75.7	Confident	81	Confident	81 Å²	81	79.1 Å²	79.1	67%	0.669	41%	0.414	S	S	*	.	H	α-helix	trans	-56.3	-35.4	-177.1	0	0	0	0	0	113.6	C1095	A1091-C1095 PolarHBondContact O-N 2.74Å
1092	S	79.8	Confident	80.8	Confident	71 Å²	71	79.9 Å²	79.9	50%	0.497	41%	0.412	S	S	.	.	H	α-helix	trans	-61.9	-52.5	172.6	55.8	0	0	0	0	111.7	N1090 K1094 C1095 D1096	N1090-S1092 PolarHBondContact O-N 2.75Å; N1090-S1092 VanDerWaalsContact O-N 3.16Å; S1092-K1094 VanDerWaalsContact C-N 3.29Å; S1092-K1094 PolarHBondContact O-N 3.47Å; S1092-C1095 CarbonylContact O-C 3.58Å; S1092-C1095 WeakPolarHBondContact O-CA 3.48Å; S1092-C1095 PolarHBondContact O-N 3.3Å; S1092-D1096 VanDerWaalsContact O-CG 3.27Å; S1092-D1096 PolarHBondContact O-N 3.33Å
1093	V	80.7	Confident	80.8	Confident	67 Å²	67	81.6 Å²	81.6	41%	0.406	42%	0.424	S	S	.	.	H	α-helix	trans	-60.8	-37.2	179.6	-178.6	0	0	0	0	111.6	Y1089 N1090 D1096 R1097	Y1089-V1093 HydrophobicContact CD1-CG1 4.04Å; N1090-V1093 HydrophobicContact CB-CG2 4.22Å; N1090-V1093 PolarHBondContact O-N 2.81Å; V1093-D1096 PolarHBondContact O-N 2.74Å; V1093-R1097 WeakPolarHBondContact O-CB 3.49Å; V1093-R1097 PolarHBondContact O-N 2.66Å
1094	K	78	Confident	81	Confident	93 Å²	93	79.7 Å²	79.7	40%	0.404	41%	0.408	S	S	.	.	H	α-helix	trans	-61.1	-48.8	171.9	-167.8	-168.5	178.1	-166	0	110.6	H374 N1090 S1092 D1096 R1097 M1098	H374-K1094 PolarHBondContact ND1-NZ 2.95Å; N1090-K1094 PolarHBondContact O-N 2.59Å; S1092-K1094 VanDerWaalsContact C-N 3.29Å; S1092-K1094 PolarHBondContact O-N 3.47Å; K1094-D1096 PolarHBondContact O-N 3.09Å; K1094-R1097 PolarHBondContact O-N 2.72Å; K1094-M1098 HydrophobicContact CD-CE 4.36Å; K1094-M1098 HydrophobicContact CD-SD 4.39Å; K1094-M1098 HydrophobicContact CG-CE 4.2Å; K1094-M1098 HydrophobicContact CG-SD 4.26Å; K1094-M1098 VanDerWaalsContact O-CG 3.31Å; K1094-M1098 WeakPolarHBondContact O-CG 3.38Å; K1094-M1098 PolarHBondContact O-N 3Å
1095	C	81.2	Confident	81.1	Confident	17 Å²	17	79 Å²	79	12%	0.115	40%	0.395	C	S	.	.	H	α-helix	trans	-66.3	-34.3	178.6	-74.2	0	0	0	0	113.6	C359 A1091 S1092 M1098 R1099	C359-C1095 HydrophobicContact CB-CB 3.64Å; C359-C1095 WeakPolarHBondContact CB-SG 3.48Å; C359-C1095 WeakPolarHBondContact SG-CB 3.44Å; C359-C1095 CovalentContact SG-SG 2.03Å; C359-C1095 PolarHBondContact SG-SG 3.1Å; A1091-C1095 PolarHBondContact O-N 2.74Å; S1092-C1095 CarbonylContact O-C 3.58Å; S1092-C1095 WeakPolarHBondContact O-CA 3.48Å; S1092-C1095 PolarHBondContact O-N 3.3Å; C1095-M1098 HydrophobicContact CB-CE 4.4Å; C1095-M1098 PolarHBondContact O-N 3.31Å; C1095-R1099 WeakPolarHBondContact O-CB 3.34Å; C1095-R1099 WeakPolarHBondContact O-CD 3.32Å; C1095-R1099 WeakPolarHBondContact O-CG 3.29Å; C1095-R1099 PolarHBondContact O-N 2.89Å
1096	D	81.9	Confident	81	Confident	88 Å²	88	77 Å²	77	47%	0.471	38%	0.384	S	S	.	.	H	α-helix	trans	-67.9	-41.8	175.2	-62.5	-34.9	0	0	0	110.7	S1092 V1093 K1094 M1098 R1099 S1100	S1092-D1096 VanDerWaalsContact O-CG 3.27Å; S1092-D1096 PolarHBondContact O-N 3.33Å; V1093-D1096 PolarHBondContact O-N 2.74Å; K1094-D1096 PolarHBondContact O-N 3.09Å; D1096-M1098 PolarHBondContact O-N 2.94Å; D1096-R1099 PolarHBondContact O-N 2.8Å; D1096-S1100 PolarHBondContact O-N 2.9Å; D1096-S1100 PolarHBondContact O-OG 2.91Å
1097	R	77.9	Confident	80.9	Confident	104 Å²	104	75.5 Å²	75.5	39%	0.392	38%	0.381	S	S	.	.	H	α-helix	trans	-62.8	-36.7	172.3	180	175.6	169.2	-177.5	-3.3	113	E610 D1024 V1093 K1094 R1099 S1100	E610-R1097 IonicContact OE1-NH2 3.15Å; E610-R1097 PolarHBondContact OE1-NH2 2.91Å; D1024-R1097 IonicContact OD2-CZ 3.02Å; D1024-R1097 IonicContact OD2-NH1 3.02Å; D1024-R1097 PolarHBondContact OD2-NH1 3.01Å; D1024-R1097 IonicContact OD2-NH2 3.6Å; V1093-R1097 WeakPolarHBondContact O-CB 3.49Å; V1093-R1097 PolarHBondContact O-N 2.66Å; K1094-R1097 PolarHBondContact O-N 2.72Å; R1097-R1099 VanDerWaalsContact C-N 3.34Å; R1097-S1100 WeakPolarHBondContact CA-OG 3.28Å; R1097-S1100 PolarHBondContact O-OG 3.41Å
1098	M	77.2	Confident	80.7	Confident	28 Å²	28	82.8 Å²	82.8	14%	0.138	41%	0.413	C	S	.	.	H	α-helix	trans	-76.3	-21	175.4	-65.1	-178.4	-51.7	0	0	113.1	F360 K1094 C1095 D1096	F360-M1098 HydrophobicContact CE1-CB 3.68Å; F360-M1098 HydrophobicContact CE1-CE 4.38Å; F360-M1098 HydrophobicContact CZ-CB 3.71Å; F360-M1098 HydrophobicContact CZ-CE 4.03Å; F360-M1098 HydrophobicContact CZ-CG 4.41Å; F360-M1098 HydrophobicContact CZ-SD 4.08Å; K1094-M1098 HydrophobicContact CD-CE 4.36Å; K1094-M1098 HydrophobicContact CD-SD 4.39Å; K1094-M1098 HydrophobicContact CG-CE 4.2Å; K1094-M1098 HydrophobicContact CG-SD 4.26Å; K1094-M1098 VanDerWaalsContact O-CG 3.31Å; K1094-M1098 WeakPolarHBondContact O-CG 3.38Å; K1094-M1098 PolarHBondContact O-N 3Å; C1095-M1098 HydrophobicContact CB-CE 4.4Å; C1095-M1098 PolarHBondContact O-N 3.31Å; D1096-M1098 PolarHBondContact O-N 2.94Å
1099	R	77.6	Confident	80.7	Confident	111 Å²	111	78.1 Å²	78.1	42%	0.419	40%	0.398	S	S	.	.	H	α-helix	trans	-86.3	-29	174.3	-77.8	169.2	170.2	-173.5	-6.3	113.1	C359 C1095 D1096 R1097 Q1101	C359-R1099 VanDerWaalsContact O-CZ 3.25Å; C359-R1099 PolarHBondContact O-NE 2.92Å; C359-R1099 PolarHBondContact O-NH2 2.88Å; C1095-R1099 WeakPolarHBondContact O-CB 3.34Å; C1095-R1099 WeakPolarHBondContact O-CD 3.32Å; C1095-R1099 WeakPolarHBondContact O-CG 3.29Å; C1095-R1099 PolarHBondContact O-N 2.89Å; D1096-R1099 PolarHBondContact O-N 2.8Å; R1097-R1099 VanDerWaalsContact C-N 3.34Å; R1099-Q1101 VanDerWaalsContact C-N 3.3Å; R1099-Q1101 PolarHBondContact O-N 3.41Å
1100	S	73.8	Confident	81.2	Confident	73 Å²	73	76.6 Å²	76.6	51%	0.51	40%	0.4	S	S	.	.			trans	-70.9	86.4	176.7	57.6	0	0	0	0	110.2	D1096 R1097 K1102	D1096-S1100 PolarHBondContact O-N 2.9Å; D1096-S1100 PolarHBondContact O-OG 2.91Å; R1097-S1100 WeakPolarHBondContact CA-OG 3.28Å; R1097-S1100 PolarHBondContact O-OG 3.41Å; S1100-K1102 PolarHBondContact O-N 3.35Å
1101	Q	74.8	Confident	81.5	Confident	75 Å²	75	71.9 Å²	71.9	35%	0.35	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-63.6	117.4	167.7	-65.9	178.8	3.3	0	0	108.2	L364 R1099	L364-Q1101 PolarHBondContact O-NE2 3.2Å; R1099-Q1101 VanDerWaalsContact C-N 3.3Å; R1099-Q1101 PolarHBondContact O-N 3.41Å
1102	K	82.2	Confident	81.9	Confident	69 Å²	69	70.1 Å²	70.1	30%	0.3	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-69.1	159.1	174	-65.1	-173.5	-177	175.5	0	110.3	D607 S609 S1100 R1104	D607-K1102 IonicContact OD1-NZ 2.8Å; D607-K1102 WeakPolarHBondContact OD2-CD 3.28Å; D607-K1102 IonicContact OD2-NZ 3.71Å; D607-K1102 PolarHBondContact OD2-NZ 3.37Å; S609-K1102 PolarHBondContact OG-NZ 3.47Å; S1100-K1102 PolarHBondContact O-N 3.35Å; K1102-R1104 PolarHBondContact O-N 2.88Å
1103	V	85.3	Confident	82.2	Confident	66 Å²	66	73.2 Å²	73.2	40%	0.4	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-62.3	133	175.9	-177.8	0	0	0	0	109.3	R621 T622 V625	R621-V1103 PolarHBondContact NH1-O 3.2Å; T622-V1103 HydrophobicContact CG2-CB 4.47Å; T622-V1103 HydrophobicContact CG2-CG1 4.32Å; T622-V1103 HydrophobicContact CG2-CG2 4.3Å; V625-V1103 HydrophobicContact CG1-CG1 4.36Å
1104	R	86.8	Confident	82.3	Confident	44 Å²	44	71.5 Å²	71.5	17%	0.166	35%	0.346	C	S	.	.			trans	-138	152.6	176.4	70.9	-175.3	-165.2	96.9	0.3	110.2	G410 K1102	G410-R1104 PolarHBondContact O-NH2 3.31Å; K1102-R1104 PolarHBondContact O-N 2.88Å
1105	R	87.9	Confident	82.6	Confident	61 Å²	61	71.7 Å²	71.7	23%	0.23	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-97.6	120	169.7	175	173.5	69.4	159.4	2.1	108.5	N577 V625 P662	N577-R1105 HydrophobicContact CB-CB 4.19Å; N577-R1105 PolarHBondContact ND2-O 2.98Å; N577-R1105 PolarHBondContact O-N 2.92Å; V625-R1105 HydrophobicContact CG1-CB 4.43Å; V625-R1105 VanDerWaalsContact O-CB 3.23Å; V625-R1105 WeakPolarHBondContact O-CB 3.5Å; P662-R1105 PolarHBondContact O-NH2 3.33Å
1106	R	87.2	Confident	82.6	Confident	96 Å²	96	77.3 Å²	77.3	36%	0.362	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-65.3	151.9	176.9	-70.1	-176.6	172.3	120.5	2.8	110.5	G408 G410	G408-R1106 PolarHBondContact O-NH2 3.12Å; G410-R1106 PolarHBondContact O-NE 2.97Å; G410-R1106 PolarHBondContact O-NH2 3.48Å
1107	P	84.8	Confident	82.6	Confident	53 Å²	53	74 Å²	74	34%	0.344	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-53.7	146.1	160.9	-24.7	36.2	0	0	0	111.1	P306	P306-P1107 HydrophobicContact CG-CG 3.98Å
1108	E	79.1	Confident	82.5	Confident	191 Å²	191	71 Å²	71	89%	0.893	36%	0.355	S	S	*	.	S	Bend	trans	-80.1	-31.6	-177.3	-61.7	-171.4	167.7	0	0	112.6
1109	S	83.4	Confident	82.2	Confident	44 Å²	44	70.7 Å²	70.7	31%	0.308	36%	0.357	S	S	.	.			trans	-91.4	149.1	177.9	67.5	0	0	0	0	113	D501	D501-S1109 VanDerWaalsContact CG-OG 3.23Å; D501-S1109 WeakPolarHBondContact OD2-CB 3.17Å; D501-S1109 PolarHBondContact OD2-OG 3.35Å
1110	C	88.6	Confident	82	Confident	57 Å²	57	72.2 Å²	72.2	39%	0.385	37%	0.373	S	S	.	.			trans	-157.7	119	176	167.1	0	0	0	0	110.6	C413	C413-C1110 WeakPolarHBondContact CA-SG 3.36Å; C413-C1110 HydrophobicContact CB-CB 3.9Å; C413-C1110 WeakPolarHBondContact CB-SG 3.45Å; C413-C1110 VanDerWaalsContact SG-CA 3.54Å; C413-C1110 WeakPolarHBondContact SG-CB 3.42Å; C413-C1110 CovalentContact SG-SG 2.03Å; C413-C1110 PolarHBondContact SG-SG 2.92Å
1111	H	87.1	Confident	82	Confident	20 Å²	20	72 Å²	72	9%	0.093	37%	0.367	C	S	.	.			trans	-115.7	88.4	179.9	-55.2	-64	0	0	0	110	S305 P493 M494 D499 D501	S305-H1111 PolarHBondContact OG-N 2.88Å; P493-H1111 HydrophobicContact CB-CB 4.41Å; M494-H1111 HydrophobicContact CB-CB 3.8Å; M494-H1111 HydrophobicContact CG-CB 4.5Å; D499-H1111 IonicContact OD2-CE1 3.59Å; D499-H1111 PolarHBondContact OD2-CE1 3.28Å; D499-H1111 IonicContact OD2-ND1 3.44Å; D499-H1111 IonicContact OD2-NE2 2.76Å; D501-H1111 IonicContact OD1-NE2 3.71Å; D501-H1111 IonicContact OD2-CD2 3.83Å; D501-H1111 PolarHBondContact OD2-CD2 3.35Å; D501-H1111 IonicContact OD2-NE2 2.78Å; D501-H1111 PolarHBondContact OD2-NE2 3.41Å
1112	S	85.4	Confident	82	Confident	45 Å²	45	69.1 Å²	69.1	32%	0.315	35%	0.354	S	S	.	.			trans	-104.5	-26.1	-176.4	62.4	0	0	0	0	115	N414 R443	N414-S1112 VanDerWaalsContact OD1-CA 3.26Å; N414-S1112 WeakPolarHBondContact OD1-CA 3.25Å; N414-S1112 WeakPolarHBondContact OD1-CB 3.39Å; R443-S1112 PolarHBondContact NH2-O 2.87Å
1113	Y	84.9	Confident	81.2	Confident	136 Å²	136	66.2 Å²	66.2	53%	0.533	34%	0.344	S	S	.	.			trans	-150.3	135.7	-176.1	173	-120.1	0	0	0	112.2
1114	H	84.3	Confident	79.8	Confident	31 Å²	31	66.6 Å²	66.6	14%	0.144	36%	0.361	C	S	.	.			trans	-129.8	136.7	169.2	-171.6	-100.5	0	0	0	110.3	P493 I496 N497 Q1116 E1117	P493-H1114 HydrophobicContact CB-CB 4.11Å; I496-H1114 WeakPolarHBondContact CG2-CE1 3.38Å; I496-H1114 VanDerWaalsContact CG2-ND1 3.31Å; I496-H1114 WeakPolarHBondContact CG2-ND1 3.29Å; N497-H1114 PolarHBondContact OD1-CD2 2.86Å; H1114-Q1116 VanDerWaalsContact C-N 3.28Å; H1114-Q1116 PolarHBondContact ND1-N 3.04Å; H1114-Q1116 PolarHBondContact O-N 3.43Å; H1114-E1117 VanDerWaalsContact O-CB 3.22Å; H1114-E1117 WeakPolarHBondContact O-CB 3.39Å; H1114-E1117 PolarHBondContact O-N 2.9Å
1115	P	82.6	Confident	77.7	Confident	96 Å²	96	67.4 Å²	67.4	62%	0.623	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-23.6	-175.3	25	-35.9	0	0	0	114.9
1116	Q	81.4	Confident	75.3	Confident	135 Å²	135	70.1 Å²	70.1	63%	0.631	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	2.9	178.2	-56.7	176.4	-17.6	0	0	113.5	H1114 N1118	H1114-Q1116 VanDerWaalsContact C-N 3.28Å; H1114-Q1116 PolarHBondContact ND1-N 3.04Å; H1114-Q1116 PolarHBondContact O-N 3.43Å; Q1116-N1118 PolarHBondContact O-N 3.07Å
1117	E	82.8	Confident	72.8	Confident	20 Å²	20	74 Å²	74	9%	0.093	43%	0.425	C	S	.	.			trans	-59.3	121	-179.5	180	178.3	-154.2	0	0	112	R443 R492 I496 H1114 A1119	R443-E1117 IonicContact CZ-OE1 3.84Å; R443-E1117 VanDerWaalsContact CZ-OE1 3.22Å; R443-E1117 IonicContact CZ-OE2 3.05Å; R443-E1117 IonicContact NH1-OE1 3.51Å; R443-E1117 PolarHBondContact NH1-OE1 3.34Å; R443-E1117 IonicContact NH1-OE2 3.66Å; R443-E1117 VanDerWaalsContact NH2-CD 3.33Å; R443-E1117 IonicContact NH2-OE1 2.75Å; R443-E1117 PolarHBondContact NH2-OE1 3.13Å; R443-E1117 IonicContact NH2-OE2 2.79Å; R443-E1117 PolarHBondContact NH2-OE2 2.89Å; R492-E1117 HydrophobicContact CB-CG 4.43Å; I496-E1117 HydrophobicContact CD1-CB 4.3Å; H1114-E1117 VanDerWaalsContact O-CB 3.22Å; H1114-E1117 WeakPolarHBondContact O-CB 3.39Å; H1114-E1117 PolarHBondContact O-N 2.9Å; E1117-A1119 PolarHBondContact O-N 3.17Å
1118	N	75.9	Confident	70.5	Confident	40 Å²	40	78.9 Å²	78.9	21%	0.214	45%	0.447	C	S	.	.			trans	-72.3	97.1	176.7	-173.4	4.8	0	0	0	111.6	R492 S540 H541 Q1116 N1120	R492-N1118 PolarHBondContact NH1-O 3.3Å; S540-N1118 WeakPolarHBondContact O-CB 3.49Å; S540-N1118 PolarHBondContact O-N 3.46Å; H541-N1118 PolarHBondContact NE2-ND2 2.71Å; H541-N1118 VanDerWaalsContact NE2-ND2 3.19Å; Q1116-N1118 PolarHBondContact O-N 3.07Å; N1118-N1120 VanDerWaalsContact C-N 3.31Å; N1118-N1120 PolarHBondContact O-N 2.9Å; N1118-N1120 WeakPolarHBondContact OD1-CB 3.31Å; N1118-N1120 PolarHBondContact OD1-N 2.9Å; N1118-N1120 VanDerWaalsContact OD1-N 3.08Å
1119	A	70.8	Confident	68.4	Low	22 Å²	22	80.9 Å²	80.9	18%	0.182	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-4	177.2	0	0	0	0	0	114.6	K467 E1117	K467-A1119 HydrophobicContact CB-CB 4.42Å; K467-A1119 HydrophobicContact CG-CB 3.94Å; E1117-A1119 PolarHBondContact O-N 3.17Å
1120	N	72.6	Confident	66.5	Low	142 Å²	142	85.4 Å²	85.4	76%	0.759	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-17.7	-176.9	-60.4	-37.6	0	0	0	113	N1118 C1122	N1118-N1120 VanDerWaalsContact C-N 3.31Å; N1118-N1120 PolarHBondContact O-N 2.9Å; N1118-N1120 WeakPolarHBondContact OD1-CB 3.31Å; N1118-N1120 PolarHBondContact OD1-N 2.9Å; N1118-N1120 VanDerWaalsContact OD1-N 3.08Å; N1120-C1122 PolarHBondContact O-N 3.04Å
1121	D	74.5	Confident	64.7	Low	70 Å²	70	85.1 Å²	85.1	37%	0.374	47%	0.465	S	S	.	.			trans	-83.7	94	176	177.9	44.6	0	0	0	110.5	R492	R492-D1121 IonicContact CZ-OD2 2.84Å; R492-D1121 PolarHBondContact NH1-O 3.25Å; R492-D1121 IonicContact NH1-OD2 2.72Å; R492-D1121 IonicContact NH2-OD2 3.32Å; R492-D1121 PolarHBondContact NH2-OD2 2.91Å
1122	C	75.1	Confident	63.3	Low	14 Å²	14	86 Å²	86	10%	0.095	48%	0.479	C	S	.	.			trans	-137.6	95.5	-173.2	56.5	0	0	0	0	112	K460 C464 N1120	K460-C1122 WeakPolarHBondContact CE-O 3.5Å; K460-C1122 PolarHBondContact NZ-O 3.46Å; C464-C1122 HydrophobicContact CB-CB 3.85Å; C464-C1122 WeakPolarHBondContact CB-SG 3.42Å; C464-C1122 WeakPolarHBondContact SG-CB 3.14Å; C464-C1122 CovalentContact SG-SG 2.03Å; C464-C1122 PolarHBondContact SG-SG 3.38Å; N1120-C1122 PolarHBondContact O-N 3.04Å
1123	G	65.3	Low	62.6	Low	8 Å²	8	88 Å²	88	8%	0.082	49%	0.491	C	S	.	.			trans	88.9	110.2	171.4	0	0	0	0	0	114.4	K460 Y470 A1125	K460-G1123 PolarHBondContact NZ-O 3.31Å; Y470-G1123 WeakPolarHBondContact O-CA 3.37Å; G1123-A1125 PolarHBondContact O-N 2.87Å
1124	G	55.7	Low	61.6	Low	74 Å²	74	86.7 Å²	86.7	76%	0.763	49%	0.493	S	S	*	.			trans	-63.9	88.6	174.4	0	0	0	0	0	113.5	Y469	Y469-G1124 PolarHBondContact OH-N 3.41Å
1125	A	42.9	Very low	60.7	Low	60 Å²	60	89.7 Å²	89.7	50%	0.496	51%	0.51	S	S	.	.			trans	-107.5	121.6	161.1	0	0	0	0	0	108.1	G1123 F1127	G1123-A1125 PolarHBondContact O-N 2.87Å; A1125-F1127 VanDerWaalsContact C-N 3.29Å; A1125-F1127 PolarHBondContact O-N 3.32Å
1126	S	37.1	Very low	60.2	Low	119 Å²	119	90.8 Å²	90.8	83%	0.832	51%	0.51	S	S	*	.			trans	-64.2	93	168.7	34.7	0	0	0	0	108.9	I1128	S1126-I1128 PolarHBondContact O-N 2.94Å
1127	F	34	Very low	59.9	Low	176 Å²	176	89 Å²	89	77%	0.772	50%	0.504	S	S	*	.			trans	-58.3	109.5	172	-84.8	-85.6	0	0	0	108.2	A1125 R1129	A1125-F1127 VanDerWaalsContact C-N 3.29Å; A1125-F1127 PolarHBondContact O-N 3.32Å; F1127-R1129 PolarHBondContact O-N 3.48Å
1128	I	37.5	Very low	59.1	Low	156 Å²	156	91.9 Å²	91.9	80%	0.8	53%	0.525	S	S	*	.			trans	-63.4	89.1	166.8	-57	174.7	0	0	0	106.4	S1126 L1130	S1126-I1128 PolarHBondContact O-N 2.94Å; I1128-L1130 PolarHBondContact O-N 2.95Å
1129	R	35.6	Very low	58.8	Low	234 Å²	234	95 Å²	95	88%	0.883	54%	0.541	S	S	*	.			trans	-61.5	104.6	169.1	-83.5	-172.7	171.5	-178.9	0.1	106.5	F1127 S1131	F1127-R1129 PolarHBondContact O-N 3.48Å; R1129-S1131 PolarHBondContact O-N 3.44Å
1130	L	42.4	Very low	58.7	Low	138 Å²	138	96.7 Å²	96.7	72%	0.723	55%	0.552	S	S	*	*			trans	-53.1	106.2	168.4	-88.4	152	0	0	0	107.9	I1128 G1132 L1135	I1128-L1130 PolarHBondContact O-N 2.95Å; L1130-G1132 PolarHBondContact O-N 2.86Å; L1130-L1135 HydrophobicContact CD2-CD1 4.35Å
1131	S	50	Low	58.3	Low	51 Å²	51	98.9 Å²	98.9	36%	0.357	55%	0.55	S	S	.	.			trans	-60.6	103.3	175.2	166.7	0	0	0	0	108	R1129 P1133 L1134 L1135	R1129-S1131 PolarHBondContact O-N 3.44Å; S1131-P1133 VanDerWaalsContact C-CD 3.42Å; S1131-P1133 VanDerWaalsContact C-N 3.28Å; S1131-P1133 WeakPolarHBondContact OG-CD 3.44Å; S1131-P1133 WeakPolarHBondContact OG-CG 3.3Å; S1131-L1134 WeakPolarHBondContact O-CA 3.39Å; S1131-L1134 WeakPolarHBondContact O-CB 3.47Å; S1131-L1134 PolarHBondContact O-N 2.92Å; S1131-L1135 PolarHBondContact O-N 3.4Å
1132	G	59.4	Low	57.6	Low	38 Å²	38	98.3 Å²	98.3	39%	0.392	55%	0.554	S	S	.	*	H	α-helix	trans	-45.7	-44.6	175.5	0	0	0	0	0	113.8	L1130 L1134 L1135 L1136	L1130-G1132 PolarHBondContact O-N 2.86Å; G1132-L1134 PolarHBondContact O-N 2.94Å; G1132-L1135 PolarHBondContact O-N 3.16Å; G1132-L1136 WeakPolarHBondContact O-CB 3.48Å; G1132-L1136 PolarHBondContact O-N 3.49Å
1133	P	68.8	Low	57	Low	88 Å²	88	101 Å²	101	57%	0.571	58%	0.578	S	S	*	*	H	α-helix	trans	-67.2	-31.8	175.8	22.9	-31.2	0	0	0	113.7	S1131 L1137	S1131-P1133 VanDerWaalsContact C-CD 3.42Å; S1131-P1133 VanDerWaalsContact C-N 3.28Å; S1131-P1133 WeakPolarHBondContact OG-CD 3.44Å; S1131-P1133 WeakPolarHBondContact OG-CG 3.3Å; P1133-L1137 WeakPolarHBondContact O-CB 3.47Å; P1133-L1137 PolarHBondContact O-N 3.33Å
1134	L	64.3	Low	56.7	Low	109 Å²	109	107.8 Å²	107.8	57%	0.571	61%	0.611	S	S	*	*	H	α-helix	trans	-68.1	-40.7	172.8	-104	151.3	0	0	0	111.9	S1131 G1132 L1137 C1138	S1131-L1134 WeakPolarHBondContact O-CA 3.39Å; S1131-L1134 WeakPolarHBondContact O-CB 3.47Å; S1131-L1134 PolarHBondContact O-N 2.92Å; G1132-L1134 PolarHBondContact O-N 2.94Å; L1134-L1137 WeakPolarHBondContact O-CB 3.3Å; L1134-L1137 PolarHBondContact O-N 3.03Å; L1134-C1138 PolarHBondContact O-N 2.96Å; L1134-C1138 PolarHBondContact O-SG 2.82Å
1135	L	66.6	Low	56.6	Low	93 Å²	93	110.3 Å²	110.3	49%	0.487	61%	0.612	S	S	.	*	H	α-helix	trans	-63.3	-42.8	174.8	-162.8	83.2	0	0	0	111.3	L1130 S1131 G1132 C1138 L1139	L1130-L1135 HydrophobicContact CD2-CD1 4.35Å; S1131-L1135 PolarHBondContact O-N 3.4Å; G1132-L1135 PolarHBondContact O-N 3.16Å; L1135-C1138 PolarHBondContact O-N 2.91Å; L1135-L1139 HydrophobicContact CD2-CD1 4.37Å; L1135-L1139 HydrophobicContact CG-CD1 4.25Å; L1135-L1139 WeakPolarHBondContact O-CB 3.45Å; L1135-L1139 WeakPolarHBondContact O-CG 3.23Å; L1135-L1139 PolarHBondContact O-N 2.8Å
1136	L	71.8	Confident	56.6	Low	119 Å²	119	115.2 Å²	115.2	62%	0.623	64%	0.643	S	S	*	*	H	α-helix	trans	-65.1	-35	174	-79.6	160.2	0	0	0	112.5	G1132 S1140	G1132-L1136 WeakPolarHBondContact O-CB 3.48Å; G1132-L1136 PolarHBondContact O-N 3.49Å; L1136-S1140 VanDerWaalsContact O-CB 3.29Å; L1136-S1140 WeakPolarHBondContact O-CB 3.35Å; L1136-S1140 PolarHBondContact O-N 3.5Å; L1136-S1140 PolarHBondContact O-OG 3.32Å
1137	L	75	Confident	57.5	Low	99 Å²	99	115.1 Å²	115.1	52%	0.518	63%	0.633	S	S	.	*	H	α-helix	trans	-67.2	-38.7	172.1	-94.7	156.6	0	0	0	112.6	P1133 L1134 S1140 R1141	P1133-L1137 WeakPolarHBondContact O-CB 3.47Å; P1133-L1137 PolarHBondContact O-N 3.33Å; L1134-L1137 WeakPolarHBondContact O-CB 3.3Å; L1134-L1137 PolarHBondContact O-N 3.03Å; L1137-S1140 WeakPolarHBondContact CA-OG 3.12Å; L1137-S1140 PolarHBondContact O-OG 3.25Å; L1137-R1141 WeakPolarHBondContact O-CB 3.49Å; L1137-R1141 WeakPolarHBondContact O-CG 3.33Å; L1137-R1141 PolarHBondContact O-N 3.4Å
1138	C	65.6	Low	58.8	Low	79 Å²	79	111.8 Å²	111.8	53%	0.534	63%	0.626	S	S	.	*	H	α-helix	trans	-68.8	-43.4	173.8	-73.5	0	0	0	0	112.2	L1134 L1135 R1141 A1142	L1134-C1138 PolarHBondContact O-N 2.96Å; L1134-C1138 PolarHBondContact O-SG 2.82Å; L1135-C1138 PolarHBondContact O-N 2.91Å; C1138-R1141 PolarHBondContact O-N 3.5Å; C1138-A1142 WeakPolarHBondContact O-CB 3.43Å; C1138-A1142 PolarHBondContact O-N 3Å
1139	L	69.9	Low	59.9	Low	106 Å²	106	109.4 Å²	109.4	56%	0.555	62%	0.616	S	S	*	*	H	α-helix	trans	-66.4	-41	177.5	-73.9	166.8	0	0	0	112.3	L1135 A1142 A1143	L1135-L1139 HydrophobicContact CD2-CD1 4.37Å; L1135-L1139 HydrophobicContact CG-CD1 4.25Å; L1135-L1139 WeakPolarHBondContact O-CB 3.45Å; L1135-L1139 WeakPolarHBondContact O-CG 3.23Å; L1135-L1139 PolarHBondContact O-N 2.8Å; L1139-A1142 PolarHBondContact O-N 3.45Å; L1139-A1143 WeakPolarHBondContact O-CB 3.38Å; L1139-A1143 PolarHBondContact O-N 3.47Å
1140	S	68.1	Low	61.4	Low	58 Å²	58	102.1 Å²	102.1	41%	0.406	60%	0.6	S	S	.	*	H	α-helix	trans	-68.7	-34.3	175.2	54	0	0	0	0	112.8	L1136 L1137 L1144	L1136-S1140 VanDerWaalsContact O-CB 3.29Å; L1136-S1140 WeakPolarHBondContact O-CB 3.35Å; L1136-S1140 PolarHBondContact O-N 3.5Å; L1136-S1140 PolarHBondContact O-OG 3.32Å; L1137-S1140 WeakPolarHBondContact CA-OG 3.12Å; L1137-S1140 PolarHBondContact O-OG 3.25Å; S1140-L1144 WeakPolarHBondContact O-CD1 3.38Å; S1140-L1144 PolarHBondContact O-N 3.13Å; S1140-L1144 VanDerWaalsContact O-N 3.16Å
1141	R	64.3	Low	62.6	Low	188 Å²	188	99.8 Å²	99.8	71%	0.709	59%	0.593	S	S	*	*	H	α-helix	trans	-67.6	-38.8	170	-79.4	-174.7	174.4	-160.9	-0.2	112.7	L1137 C1138 A1143 L1144 V1145	L1137-R1141 WeakPolarHBondContact O-CB 3.49Å; L1137-R1141 WeakPolarHBondContact O-CG 3.33Å; L1137-R1141 PolarHBondContact O-N 3.4Å; C1138-R1141 PolarHBondContact O-N 3.5Å; R1141-A1143 VanDerWaalsContact C-N 3.35Å; R1141-L1144 PolarHBondContact O-N 2.76Å; R1141-V1145 WeakPolarHBondContact O-CG2 3.46Å
1142	A	61.1	Low	63.4	Low	57 Å²	57	103.1 Å²	103.1	47%	0.471	61%	0.609	S	S	.	*	H	α-helix	trans	-64.2	-41	174.9	0	0	0	0	0	111.7	C1138 L1139 L1144 V1145 S1146	C1138-A1142 WeakPolarHBondContact O-CB 3.43Å; C1138-A1142 PolarHBondContact O-N 3Å; L1139-A1142 PolarHBondContact O-N 3.45Å; A1142-L1144 PolarHBondContact O-N 3.3Å; A1142-V1145 PolarHBondContact O-N 3.35Å; A1142-V1145 VanDerWaalsContact O-N 3.13Å; A1142-S1146 PolarHBondContact O-N 2.86Å
1143	A	61	Low	63.7	Low	72 Å²	72	107.7 Å²	107.7	60%	0.595	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.5	-8.3	175.9	0	0	0	0	0	114.8	L1139 R1141	L1139-A1143 WeakPolarHBondContact O-CB 3.38Å; L1139-A1143 PolarHBondContact O-N 3.47Å; R1141-A1143 VanDerWaalsContact C-N 3.35Å
1144	L	58.9	Low	63.3	Low	149 Å²	149	109.2 Å²	109.2	78%	0.78	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-3.3	169.3	-106.8	94.9	0	0	0	113.3	S1140 R1141 A1142	S1140-L1144 WeakPolarHBondContact O-CD1 3.38Å; S1140-L1144 PolarHBondContact O-N 3.13Å; S1140-L1144 VanDerWaalsContact O-N 3.16Å; R1141-L1144 PolarHBondContact O-N 2.76Å; A1142-L1144 PolarHBondContact O-N 3.3Å
1145	V	54.9	Low	63.2	Low	128 Å²	128	109.3 Å²	109.3	78%	0.776	63%	0.633	S	S	*	*			trans	-117.9	1	-175.5	177.8	0	0	0	0	111.9	R1141 A1142	R1141-V1145 WeakPolarHBondContact O-CG2 3.46Å; A1142-V1145 PolarHBondContact O-N 3.35Å; A1142-V1145 VanDerWaalsContact O-N 3.13Å
1146	S	41.5	Very low	62.9	Low	163 Å²	163	110.7 Å²	110.7	100%	1.14	65%	0.646	S	S	*	*			trans	-110.2	0	159	-65.8	0	0	0	0	110.1	A1142	A1142-S1146 PolarHBondContact O-N 2.86Å

Retrieved 1,146 of 1,146 residues in 1549.3 ms (Link to these results)

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