A0A087Y8V1_POEFO Loading...

DNA replication licensing factor MCM4

Acts as a component of the MCM2-7 complex (MCM complex) which is the replicative helicase essential for 'once per cell cycle' DNA replication initiation and elongation in eukaryotic cells. Core component of CDC45-MCM-GINS (CMG) helicase, the molecular machine that unwinds template DNA during replication, and around which the replisome is built. The active ATPase sites in the MCM2-7 ring are formed through the interaction surfaces of two neighboring subunits such that a critical structure of a conserved arginine finger motif is provided in trans relative to the ATP-binding site of the Walker A box of the adjacent subunit. The six ATPase active sites, however, are likely to contribute differentially to the complex helicase activity. Acts as component of the MCM2-7 complex (MCM complex) which is the replicative helicase essential for 'once per cell cycle' DNA replication initiation and elongation in eukaryotic cells. The active ATPase sites in the MCM2-7 ring are formed through the interaction surfaces of two neighboring subunits such that a critical structure of a conserved arginine finger motif is provided in trans relative to the ATP-binding site of the Walker A box of the adjacent subunit. The six ATPase active sites, however, are likely to contribute differentially to the complex helicase activity.

AlphaFold DB , UniProt , Accession A0A087Y8V1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 868 aa.

						>A0A087Y8V1_POEFO|A0A087Y8V1
MSSPASTPGGRKRGRNTNPATPSSEGPISPPSQRRRGQDSSGGDLMPMPTSPATDVLSPAAPQDTSLLSSPRPSVMPNEADISSPLGYWTPSSRVEGTPSSRVEGTPRSGVRGTPARQRPDLGSVRKAPQVDLQSDQPSTDGAVASEPNAGHRLVIWGTDVNVGTCKEKFQRFLQRFTDPTSTEDENAGLDLNEPLYMQKLEEISVVGDPVLNVNCRHVQSFDAELYRQLICYPQEVIPTFDMAVNELFFERFPDSVLEYQIQVRPYNALKTRNMRSLNPEDIDQLITISGMVIRTSQLIPEMQEAFFQCQVCAFSARAEVDRGRIAEPAVCRHCNTTHSMALVHNRSLFSDKQMIKLQESPEDMPAGQTPHTTIVYAHNDLVDKVQPGDRVNITGIYRAVPMRVNPRQSNVKSVYKTHIDAIHFRKTDEKRLHGLDEEAEQKLFTEHRVQTLKELAAKPDVYERLASALAPSIYEHEDIKKGILLQLFGGTRKDFSQTGRGHFRAEVNILLCGDPGTSKSQLLQYVYNLVPRGQYTSGKGSSAVGLTAYVMKDPETRQLVLQTGALVLSDNGICCIDEFDKMSDNTRSVLHEVMEQQTLSIAKAGIICQLNARTAVLAAANPVESQWNPKKTTIENIQLPHTLLSRFDLIFLMLDPQDEAYDRRLAHHLVSLYYQSEEQMEEEFLDMAVLKDYIAYARTYINPRLSEEASQALIEAYVDMRKIGSGHGMVSAYPRQLESLIRLAEAHAKVRFSEKVETIDVEEAKRLHREALKQSATDPRTGFVDISILTTGMSATARKRKEEVAQALKKLIETKGKTPAMKYQQLLNDLRGQSETAITKELFDEALRALADDDYLTVTGKTVRLLA
					

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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	42.5	Very low	37.1	Very low	252 Å²	252	135.4 Å²	135.4	100%	1.241	86%	0.858	S	S	*	*				0	149	0	-76.2	-176.5	164.8	0	0	108.5
2	S	31.5	Very low	36.6	Very low	106 Å²	106	141 Å²	141	74%	0.741	86%	0.86	S	S	*	*			trans	-119.4	122.2	-152.4	47	0	0	0	0	114.7
3	S	33.9	Very low	36.1	Very low	117 Å²	117	149.9 Å²	149.9	82%	0.818	87%	0.869	S	S	*	*				52	179.4	125.3	-27.2	0	0	0	0	120
4	P	62.4	Low	35.6	Very low	129 Å²	129	144.7 Å²	144.7	84%	0.838	86%	0.863	S	S	*	*				-131.8	-177.5	-123.9	33	-7.9	0	0	0	116.3
5	A	34.5	Very low	35.2	Very low	89 Å²	89	151.8 Å²	151.8	74%	0.736	87%	0.869	S	S	*	*			trans	-168.3	139.6	162.8	0	0	0	0	0	108.7
6	S	33.8	Very low	34.8	Very low	112 Å²	112	151.6 Å²	151.6	78%	0.783	86%	0.864	S	S	*	*			cis	93.6	126.9	31.4	79.1	0	0	0	0	116.1
7	T	33.8	Very low	34.5	Very low	134 Å²	134	150.8 Å²	150.8	82%	0.822	86%	0.863	S	S	*	*			trans	-48.5	-178.9	177.4	54.3	0	0	0	0	116.8
8	P	49.9	Very low	34.5	Very low	130 Å²	130	151.2 Å²	151.2	84%	0.844	86%	0.862	S	S	*	*			cis	-154.8	-173.1	23.7	44.9	-22.3	0	0	0	120.4
9	G	27.6	Very low	35.1	Very low	82 Å²	82	149.6 Å²	149.6	85%	0.845	86%	0.858	S	S	*	*			trans	125.7	137.8	150.9	0	0	0	0	0	116.3
10	G	28.2	Very low	34.7	Very low	76 Å²	76	147 Å²	147	78%	0.784	86%	0.855	S	S	*	*			cis	124.4	92.9	-9	0	0	0	0	0	115.4
11	R	30.1	Very low	34.5	Very low	262 Å²	262	146.2 Å²	146.2	99%	0.989	85%	0.853	S	S	*	*			trans	-158.1	144.6	160.3	-116	170.3	-169.6	-168.5	2.6	114.7
12	K	30.4	Very low	34.4	Very low	203 Å²	203	139.2 Å²	139.2	88%	0.883	83%	0.826	S	S	*	*			trans	-103.9	154.5	-173	-65.2	172.9	172.6	176.8	0	113.2
13	R	30.1	Very low	34.4	Very low	257 Å²	257	139.3 Å²	139.3	97%	0.97	83%	0.827	S	S	*	*			trans	179.1	132.2	142.5	-99.2	171.3	-176.1	-168	1.2	107.6
14	G	29.2	Very low	34.2	Very low	77 Å²	77	138.9 Å²	138.9	79%	0.794	82%	0.824	S	S	*	*			cis	127.9	90.8	-10.7	0	0	0	0	0	114.5
15	R	29.7	Very low	32.6	Very low	251 Å²	251	142.4 Å²	142.4	95%	0.947	83%	0.829	S	S	*	*			trans	-166.2	138.4	148.1	-139.2	171.7	-179.8	162.3	-0.9	113.4
16	N	29.1	Very low	32.4	Very low	148 Å²	148	141.2 Å²	141.2	79%	0.791	83%	0.826	S	S	*	*			trans	-83.7	157	167.7	-69.5	-13.6	0	0	0	111.2
17	T	29.7	Very low	32.9	Very low	138 Å²	138	141.7 Å²	141.7	85%	0.847	83%	0.826	S	S	*	*				-179.5	124.8	122	32.7	0	0	0	0	112
18	N	34.1	Very low	32.8	Very low	159 Å²	159	143.1 Å²	143.1	85%	0.85	83%	0.827	S	S	*	*			trans	-88.2	173.5	149.4	-74.2	-9.8	0	0	0	108
19	P	45.4	Very low	31.8	Very low	121 Å²	121	141.7 Å²	141.7	79%	0.786	82%	0.82	S	S	*	*			cis	-140.2	-166.1	11.7	42	-21.7	0	0	0	116
20	A	27.2	Very low	32.4	Very low	96 Å²	96	143.5 Å²	143.5	79%	0.793	82%	0.817	S	S	*	*			trans	95	126.8	149.5	0	0	0	0	0	121.8
21	T	31.3	Very low	33.4	Very low	131 Å²	131	145.5 Å²	145.5	80%	0.804	82%	0.816	S	S	*	*			trans	-65.5	169	152.6	47.1	0	0	0	0	111.6
22	P	41.2	Very low	33.4	Very low	105 Å²	105	137.8 Å²	137.8	68%	0.682	80%	0.803	S	S	*	*			cis	-149	-177.3	31.6	39.3	-16.4	0	0	0	118.2
23	S	30	Very low	33.3	Very low	108 Å²	108	136.7 Å²	136.7	76%	0.755	80%	0.801	S	S	*	*			trans	50.7	152.6	143.2	64.3	0	0	0	0	121.3
24	S	30.2	Very low	33.1	Very low	109 Å²	109	135.5 Å²	135.5	76%	0.762	80%	0.796	S	S	*	*			cis	-167.9	149.9	11.9	43.7	0	0	0	0	111.3
25	E	29.4	Very low	33.1	Very low	202 Å²	202	143.2 Å²	143.2	94%	0.944	80%	0.801	S	S	*	*			trans	-172.6	146.6	137.5	-104.7	176.8	-160	0	0	104.7
26	G	30.6	Very low	32.9	Very low	65 Å²	65	142.3 Å²	142.3	67%	0.67	80%	0.798	S	S	*	*			cis	172.7	151.8	7.7	0	0	0	0	0	105.6
27	P	44.8	Very low	32.7	Very low	121 Å²	121	138.4 Å²	138.4	79%	0.786	79%	0.792	S	S	*	*				-127.4	-174.2	-124.5	32.6	-15.3	0	0	0	117.4
28	I	30.3	Very low	32.5	Very low	164 Å²	164	139.6 Å²	139.6	84%	0.841	79%	0.788	S	S	*	*			trans	102.4	115.3	154.6	-54.1	176.4	0	0	0	117.8
29	S	29.2	Very low	32.1	Very low	100 Å²	100	138 Å²	138	70%	0.699	78%	0.779	S	S	*	*			trans	-98.7	170.2	164.1	58.8	0	0	0	0	110.7
30	P	40.5	Very low	31.3	Very low	121 Å²	121	137 Å²	137	79%	0.786	78%	0.776	S	S	*	*				-149.5	179	90.5	36.3	-15.7	0	0	0	115
31	P	49.8	Very low	31.2	Very low	117 Å²	117	138 Å²	138	76%	0.76	78%	0.777	S	S	*	*			trans	-117.4	-156.6	-160.5	42.9	-32	0	0	0	115.3
32	S	28.5	Very low	31	Very low	101 Å²	101	135.8 Å²	135.8	71%	0.706	78%	0.78	S	S	*	*			trans	95.9	156	176.4	86	0	0	0	0	115.2
33	Q	29.9	Very low	30.3	Very low	180 Å²	180	134.2 Å²	134.2	84%	0.841	78%	0.782	S	S	*	*			cis	-155.8	169.1	16.5	-149.8	167.2	87.9	0	0	113.8
34	R	25.8	Very low	30.2	Very low	232 Å²	232	136.1 Å²	136.1	88%	0.875	78%	0.784	S	S	*	*			trans	-61.6	157.9	178.9	-64.2	164.2	161.1	167.6	-8	115.7
35	R	27.8	Very low	30.2	Very low	238 Å²	238	138 Å²	138	90%	0.898	79%	0.785	S	S	*	*				-161.9	124.8	122.8	-99.2	164.3	-167.8	-152.2	2.3	107.8
36	R	26.4	Very low	30.1	Very low	233 Å²	233	136.3 Å²	136.3	88%	0.879	78%	0.779	S	S	*	*				43.1	124.2	86.5	-83.9	-172.1	173.7	179.4	-2.9	112.2
37	G	24.1	Very low	30.8	Very low	65 Å²	65	138 Å²	138	67%	0.67	78%	0.779	S	S	*	*			cis	120.4	152.3	12.1	0	0	0	0	0	110.5
38	Q	26.8	Very low	30	Very low	164 Å²	164	139.8 Å²	139.8	77%	0.766	78%	0.778	S	S	*	*			trans	70.2	150.1	173.6	-65.3	-178.8	-78	0	0	115.5
39	D	25.2	Very low	30.6	Very low	124 Å²	124	137.6 Å²	137.6	66%	0.663	78%	0.775	S	S	*	*			cis	-160.8	174.8	-5.8	-105.4	-22.9	0	0	0	109.9
40	S	27.5	Very low	30.5	Very low	102 Å²	102	138.7 Å²	138.7	71%	0.713	78%	0.777	S	S	*	*			trans	56	126	150.6	54.1	0	0	0	0	120.6
41	S	26	Very low	30.2	Very low	117 Å²	117	138 Å²	138	82%	0.818	78%	0.775	S	S	*	*			cis	91.7	135.7	37.7	77.2	0	0	0	0	115.9
42	G	26.2	Very low	29.7	Very low	83 Å²	83	138.5 Å²	138.5	86%	0.856	78%	0.779	S	S	*	*			trans	93.7	121.6	177.3	0	0	0	0	0	111.5
43	G	26.6	Very low	29.7	Very low	72 Å²	72	137.4 Å²	137.4	74%	0.742	78%	0.776	S	S	*	*				113.9	139	54.5	0	0	0	0	0	106.1
44	D	28.8	Very low	29.7	Very low	148 Å²	148	134.9 Å²	134.9	79%	0.791	77%	0.772	S	S	*	*			cis	-165.9	165.1	21.1	-121.6	-36.7	0	0	0	112
45	L	29.7	Very low	29.6	Very low	148 Å²	148	130.3 Å²	130.3	78%	0.775	77%	0.766	S	S	*	*			trans	61.8	109.9	150	-60.6	163.6	0	0	0	123.1
46	M	28.4	Very low	29.7	Very low	167 Å²	167	124.6 Å²	124.6	82%	0.823	76%	0.757	S	S	*	*				25.2	164.8	105	-80.9	-70.3	163.9	0	0	121.6
47	P	44.3	Very low	29.8	Very low	102 Å²	102	121.3 Å²	121.3	66%	0.662	76%	0.756	S	S	*	*			cis	-143.8	163.3	-7	35.9	-15.2	0	0	0	119
48	M	29	Very low	30	Very low	158 Å²	158	123.1 Å²	123.1	78%	0.778	76%	0.758	S	S	*	*			trans	57.2	-177.4	138.7	-67.3	-70.1	-102.3	0	0	119.9
49	P	42	Very low	30.5	Very low	118 Å²	118	121.3 Å²	121.3	77%	0.766	76%	0.761	S	S	*	*			cis	-131	-171.5	-5	19	8.8	0	0	0	118.2
50	T	27.4	Very low	30.5	Very low	123 Å²	123	120 Å²	120	76%	0.755	77%	0.767	S	S	*	*			trans	-49.2	172	-175.7	44.1	0	0	0	0	124.1
51	S	33.9	Very low	30.6	Very low	105 Å²	105	119.5 Å²	119.5	73%	0.734	77%	0.769	S	S	*	*			trans	-63	171.3	175.5	36.1	0	0	0	0	118
52	P	39.3	Very low	31.3	Very low	129 Å²	129	119.2 Å²	119.2	84%	0.838	76%	0.764	S	S	*	*				-150.8	-151.3	105.8	41	-22.5	0	0	0	113.7
53	A	28.3	Very low	31.3	Very low	78 Å²	78	123.9 Å²	123.9	65%	0.645	76%	0.764	S	S	*	*				-162.2	170.3	-85	0	0	0	0	0	111.1
54	T	29.6	Very low	31.3	Very low	126 Å²	126	127.5 Å²	127.5	77%	0.773	77%	0.766	S	S	*	*			trans	64.4	152.3	156.2	41.5	0	0	0	0	119.1
55	D	25	Very low	31.2	Very low	137 Å²	137	127.4 Å²	127.4	73%	0.733	77%	0.771	S	S	*	*			cis	-151	146	12	-98	-30.5	0	0	0	115
56	V	29.2	Very low	31.1	Very low	118 Å²	118	125.3 Å²	125.3	72%	0.715	77%	0.769	S	S	*	*				32.5	125.7	128.2	-159.4	0	0	0	0	123.3
57	L	27.8	Very low	31	Very low	164 Å²	164	124.3 Å²	124.3	86%	0.859	77%	0.766	S	S	*	*				166.1	140.8	121.5	-92.1	163.4	0	0	0	114.2
58	S	28.9	Very low	30.2	Very low	103 Å²	103	126.9 Å²	126.9	72%	0.72	77%	0.773	S	S	*	*			trans	-104.8	160.3	157.5	-42	0	0	0	0	108.3
59	P	37.6	Very low	30	Very low	125 Å²	125	124.6 Å²	124.6	81%	0.812	77%	0.773	S	S	*	*				-158.7	-174.2	73.7	42.2	-20.7	0	0	0	117.5
60	A	25.4	Very low	29.4	Very low	96 Å²	96	124.3 Å²	124.3	79%	0.793	77%	0.774	S	S	*	*			trans	78.5	134.6	148.1	0	0	0	0	0	121.8
61	A	30.3	Very low	29.6	Very low	92 Å²	92	124.6 Å²	124.6	76%	0.76	78%	0.778	S	S	*	*			trans	-87.1	163.5	154.7	0	0	0	0	0	109.3
62	P	39.4	Very low	29.3	Very low	111 Å²	111	131.1 Å²	131.1	72%	0.721	79%	0.787	S	S	*	*				-155.7	172.7	80.5	41.7	-22.4	0	0	0	118.1
63	Q	26.8	Very low	29.1	Very low	182 Å²	182	131 Å²	131	85%	0.85	79%	0.786	S	S	*	*			trans	76.8	149.3	142.9	-85.3	171.1	6	0	0	123.3
64	D	25.6	Very low	28.9	Very low	147 Å²	147	133 Å²	133	79%	0.786	80%	0.795	S	S	*	*			trans	-68.3	155.4	-177.3	-51.8	-90.9	0	0	0	114.6
65	T	27.5	Very low	28.7	Very low	146 Å²	146	132.9 Å²	132.9	90%	0.896	79%	0.794	S	S	*	*				-158.8	141	126	3.9	0	0	0	0	111.5
66	S	26.7	Very low	28.8	Very low	104 Å²	104	134.1 Å²	134.1	73%	0.727	80%	0.797	S	S	*	*			trans	-70.2	162.7	172.2	53.1	0	0	0	0	112
67	L	27.9	Very low	29	Very low	147 Å²	147	134.1 Å²	134.1	77%	0.77	80%	0.799	S	S	*	*				177.2	136.8	120.5	-89.4	166.6	0	0	0	110.7
68	L	26.3	Very low	29	Very low	155 Å²	155	133.9 Å²	133.9	81%	0.812	80%	0.799	S	S	*	*			trans	37.6	130.1	144	-58.8	168.9	0	0	0	118.9
69	S	26	Very low	28.8	Very low	111 Å²	111	138.5 Å²	138.5	78%	0.776	81%	0.809	S	S	*	*			cis	-173.9	165.1	30.1	43.5	0	0	0	0	111.3
70	S	28	Very low	28.3	Very low	111 Å²	111	136.3 Å²	136.3	78%	0.776	80%	0.802	S	S	*	*			trans	-77.7	157.7	165.3	-45.2	0	0	0	0	111.1
71	P	32.8	Very low	28.3	Very low	130 Å²	130	138.6 Å²	138.6	84%	0.844	80%	0.801	S	S	*	*				-141.7	177.1	91.6	35.1	-18.2	0	0	0	116.2
72	R	27.3	Very low	28.2	Very low	242 Å²	242	141.7 Å²	141.7	91%	0.913	80%	0.803	S	S	*	*			trans	-79.2	169.8	-173.5	-96.3	-179.1	178.3	178.6	0	114
73	P	33.9	Very low	27.6	Very low	126 Å²	126	141.6 Å²	141.6	82%	0.818	81%	0.805	S	S	*	*			trans	-90.4	158.6	-155.3	35.8	-37.5	0	0	0	115.3
74	S	24.3	Very low	27.6	Very low	119 Å²	119	138.2 Å²	138.2	83%	0.832	80%	0.801	S	S	*	*			trans	-115.9	148.6	168	55	0	0	0	0	111.8
75	V	27.2	Very low	28.1	Very low	125 Å²	125	136.5 Å²	136.5	76%	0.758	80%	0.798	S	S	*	*			trans	-82.2	171.6	-174.6	-178.9	0	0	0	0	111.7
76	M	25.8	Very low	28.2	Very low	163 Å²	163	137.8 Å²	137.8	80%	0.803	80%	0.799	S	S	*	*			trans	114.5	156.6	157.1	-60.3	-55.2	166.6	0	0	115
77	P	34.4	Very low	28.2	Very low	117 Å²	117	135.7 Å²	135.7	76%	0.76	79%	0.793	S	S	*	*			cis	-133.5	-175.2	-39.7	36.8	-20	0	0	0	113
78	N	26.3	Very low	28.2	Very low	160 Å²	160	138.2 Å²	138.2	86%	0.856	79%	0.794	S	S	*	*			trans	-80.6	151	166.3	-79.2	-13.1	0	0	0	111.8
79	E	24.5	Very low	28.1	Very low	199 Å²	199	141 Å²	141	93%	0.93	79%	0.794	S	S	*	*			trans	-152.5	150.8	138.7	-122.5	174.3	-165.5	0	0	111
80	A	27.8	Very low	28	Very low	79 Å²	79	140.5 Å²	140.5	65%	0.653	79%	0.786	S	S	*	*			trans	-95.3	170.2	172.4	0	0	0	0	0	108.9
81	D	25.8	Very low	28	Very low	145 Å²	145	141 Å²	141	78%	0.775	79%	0.786	S	S	*	*				179.6	-179.7	64.5	-121.9	-29.1	0	0	0	111.5
82	I	27.1	Very low	27.6	Very low	157 Å²	157	139.5 Å²	139.5	81%	0.805	78%	0.779	S	S	*	*			trans	76.4	125.7	165.4	-60.2	141.1	0	0	0	115.8
83	S	26.8	Very low	27.6	Very low	108 Å²	108	132.8 Å²	132.8	76%	0.755	77%	0.769	S	S	*	*			cis	-160.1	151.3	-3.1	43.9	0	0	0	0	113.1
84	S	27.6	Very low	27.3	Very low	111 Å²	111	137.9 Å²	137.9	78%	0.776	77%	0.772	S	S	*	*			trans	-82.7	178.6	169.6	-45.1	0	0	0	0	112.7
85	P	36.3	Very low	27.4	Very low	111 Å²	111	138.7 Å²	138.7	72%	0.721	77%	0.772	S	S	*	*				-150.2	146.3	93.5	36.7	-18.8	0	0	0	118.1
86	L	29.4	Very low	27.5	Very low	174 Å²	174	141.3 Å²	141.3	91%	0.911	78%	0.776	S	S	*	*			trans	62.6	141	144.8	-61.2	164.3	0	0	0	120.6
87	G	26.8	Very low	27.5	Very low	59 Å²	59	137.3 Å²	137.3	61%	0.608	78%	0.777	S	S	*	*			cis	171.8	175.5	-5.4	0	0	0	0	0	115.6
88	Y	27.3	Very low	27.1	Very low	200 Å²	200	138.4 Å²	138.4	78%	0.784	78%	0.781	S	S	*	*			trans	71.9	151.7	-177.9	-66.4	-74.7	0	0	0	116.5
89	W	24.4	Very low	27.6	Very low	215 Å²	215	136.6 Å²	136.6	81%	0.814	78%	0.778	S	S	*	*			cis	-126.9	174.2	-2.6	-106.3	110.1	0	0	0	111.5
90	T	23.5	Very low	27.6	Very low	99 Å²	99	132.2 Å²	132.2	61%	0.607	77%	0.77	S	S	*	*			trans	-119.2	173.1	176.8	50	0	0	0	0	112
91	P	28.7	Very low	27.6	Very low	121 Å²	121	133.5 Å²	133.5	79%	0.786	77%	0.773	S	S	*	*				-130.1	141.8	88.2	14.8	7	0	0	0	112.2
92	S	25.3	Very low	27.6	Very low	99 Å²	99	138.7 Å²	138.7	69%	0.692	78%	0.782	S	S	*	*				61.4	129.6	64.1	-64.3	0	0	0	0	113.7
93	S	26.4	Very low	27.7	Very low	102 Å²	102	136.8 Å²	136.8	71%	0.713	78%	0.778	S	S	*	*			cis	-173.3	144.6	-1.8	46.5	0	0	0	0	111.7
94	R	26.6	Very low	27.7	Very low	232 Å²	232	140.8 Å²	140.8	88%	0.875	79%	0.785	S	S	*	*			trans	38.5	151.7	140.6	-64.6	-175.9	173.6	173.7	-3	120.3
95	V	28.1	Very low	27.7	Very low	136 Å²	136	139.3 Å²	139.3	82%	0.824	79%	0.787	S	S	*	*			cis	-151.2	155.2	47.2	173	0	0	0	0	111.7
96	E	28.2	Very low	27.3	Very low	181 Å²	181	140.4 Å²	140.4	85%	0.846	79%	0.792	S	S	*	*			trans	-77.1	168.5	-178.7	-63.2	151.7	108.4	0	0	115.2
97	G	26.2	Very low	27.9	Very low	79 Å²	79	137.2 Å²	137.2	81%	0.814	78%	0.781	S	S	*	*			trans	170.6	77	166.1	0	0	0	0	0	116.4
98	T	27	Very low	28	Very low	139 Å²	139	145.7 Å²	145.7	85%	0.853	80%	0.795	S	S	*	*			trans	-99.4	143.7	162.5	49.8	0	0	0	0	109.6
99	P	35.5	Very low	28.2	Very low	123 Å²	123	141.8 Å²	141.8	80%	0.799	80%	0.797	S	S	*	*				-152.9	154.3	84.6	38	-18.4	0	0	0	118.8
100	S	25.2	Very low	28.4	Very low	107 Å²	107	135.4 Å²	135.4	75%	0.748	80%	0.798	S	S	*	*			trans	46.7	123.5	139.9	-148.8	0	0	0	0	124.3
101	S	27.2	Very low	28.8	Very low	105 Å²	105	137.4 Å²	137.4	73%	0.734	81%	0.809	S	S	*	*			trans	52.3	118.2	134.3	66.8	0	0	0	0	122.6
102	R	25.7	Very low	28.8	Very low	254 Å²	254	143.2 Å²	143.2	96%	0.958	82%	0.816	S	S	*	*				-167.6	-174.9	109.3	-134.6	171.7	177.9	164.1	-1.4	112.4
103	V	28.8	Very low	29.1	Very low	118 Å²	118	141.9 Å²	141.9	72%	0.715	82%	0.818	S	S	*	*			trans	-116.4	153.6	-156	166.9	0	0	0	0	112.4
104	E	28.2	Very low	29.4	Very low	192 Å²	192	143.7 Å²	143.7	90%	0.897	83%	0.825	S	S	*	*			trans	69.4	139.1	162.8	-84.1	165.7	-177	0	0	121.3
105	G	26.3	Very low	30	Very low	80 Å²	80	138.5 Å²	138.5	83%	0.825	82%	0.821	S	S	*	*			trans	160.1	54.5	174.1	0	0	0	0	0	118.4
106	T	29.3	Very low	30.2	Very low	134 Å²	134	136.9 Å²	136.9	82%	0.822	82%	0.822	S	S	*	*			trans	-73.7	155.3	156	50.4	0	0	0	0	109.8
107	P	41.6	Very low	30.4	Very low	106 Å²	106	139.9 Å²	139.9	69%	0.688	83%	0.826	S	S	*	*			cis	-156	174.2	42	43.9	-23	0	0	0	120
108	R	29.3	Very low	30.8	Very low	238 Å²	238	145 Å²	145	90%	0.898	83%	0.828	S	S	*	*			trans	63.2	152.3	154.7	-72.9	169.6	-174	-161.1	2	118.3
109	S	29.9	Very low	31	Very low	117 Å²	117	150 Å²	150	82%	0.818	83%	0.832	S	S	*	*			cis	-172	138.6	-17.9	49.7	0	0	0	0	108.5
110	G	28.9	Very low	31	Very low	81 Å²	81	149.5 Å²	149.5	84%	0.835	83%	0.829	S	S	*	*			trans	-173	66.9	-175.3	0	0	0	0	0	117
111	V	32.1	Very low	31.4	Very low	141 Å²	141	152.1 Å²	152.1	86%	0.855	83%	0.834	S	S	*	*			trans	-45.8	129.1	175.2	174.1	0	0	0	0	115.3
112	R	30	Very low	31.8	Very low	243 Å²	243	155.6 Å²	155.6	92%	0.917	84%	0.844	S	S	*	*				-176.1	123.4	111.2	-130.3	167.1	-167.8	-171.9	3.2	112.7
113	G	30.2	Very low	32.1	Very low	72 Å²	72	146.8 Å²	146.8	74%	0.742	83%	0.832	S	S	*	*			trans	-99.2	156.8	169.3	0	0	0	0	0	112.4
114	T	33.2	Very low	32.4	Very low	139 Å²	139	146.2 Å²	146.2	85%	0.853	83%	0.833	S	S	*	*			trans	-133.7	143.5	159	45.4	0	0	0	0	109.2
115	P	39	Very low	32.7	Very low	123 Å²	123	143.9 Å²	143.9	80%	0.799	83%	0.832	S	S	*	*			trans	-88.8	154	-163.7	34.3	-36.2	0	0	0	114.2	R117	P115-R117 PolarHBondContact O-N 3.38Å
116	A	33.1	Very low	33.2	Very low	103 Å²	103	150.7 Å²	150.7	85%	0.851	83%	0.833	S	S	*	*			trans	-65.5	128.9	171.3	0	0	0	0	0	111.2	Q118	A116-Q118 PolarHBondContact O-N 3.04Å
117	R	32.2	Very low	33.4	Very low	243 Å²	243	153.7 Å²	153.7	92%	0.917	83%	0.834	S	S	*	*			trans	-92.6	100.8	-177	-162.1	177.7	-171.2	-175.8	2.4	110	P115	P115-R117 PolarHBondContact O-N 3.38Å
118	Q	33.5	Very low	33	Very low	186 Å²	186	153.1 Å²	153.1	87%	0.869	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-63.4	137.7	166.5	-76.8	177.6	-23.7	0	0	109.8	A116	A116-Q118 PolarHBondContact O-N 3.04Å
119	R	31.8	Very low	33.2	Very low	244 Å²	244	147.6 Å²	147.6	92%	0.921	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-88	126.7	165.5	-74.7	-172.6	179.8	-173.1	0.5	108.8
120	P	34.8	Very low	33.3	Very low	114 Å²	114	149.9 Å²	149.9	74%	0.74	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-85.9	118.8	163.4	32.7	-26.6	0	0	0	108.7
121	D	33.8	Very low	33.3	Very low	162 Å²	162	152 Å²	152	87%	0.866	83%	0.828	S	S	*	*			trans	-174.7	89.1	154.2	-95.3	-28.8	0	0	0	109.3
122	L	35.4	Very low	33	Very low	177 Å²	177	151.8 Å²	151.8	93%	0.927	82%	0.822	S	S	*	*			trans	-169.2	78.6	157.7	-107.4	160.1	0	0	0	107.6
123	G	32.2	Very low	33.5	Very low	70 Å²	70	148.2 Å²	148.2	72%	0.722	82%	0.82	S	S	*	*			trans	-64.7	136.5	176.5	0	0	0	0	0	111.7	V125	G123-V125 PolarHBondContact O-N 3.49Å; G123-V125 VanDerWaalsContact O-N 3.15Å
124	S	35.7	Very low	33.5	Very low	105 Å²	105	154 Å²	154	73%	0.734	83%	0.828	S	S	*	*			trans	-47.9	111	178.2	160.8	0	0	0	0	114
125	V	33.9	Very low	33.5	Very low	143 Å²	143	152.3 Å²	152.3	87%	0.867	82%	0.821	S	S	*	*			trans	-96.7	87.1	157.6	-176.2	0	0	0	0	108.9	G123	G123-V125 PolarHBondContact O-N 3.49Å; G123-V125 VanDerWaalsContact O-N 3.15Å
126	R	38.1	Very low	33.1	Very low	223 Å²	223	154.4 Å²	154.4	84%	0.842	83%	0.826	S	S	*	*			trans	-115.6	103	160.9	-86.2	-172.4	171.8	-172	-1.8	108.2
127	K	32.2	Very low	32.9	Very low	198 Å²	198	158.2 Å²	158.2	86%	0.861	83%	0.826	S	S	*	*			trans	-174.3	109.2	153.8	-105.9	165.7	-176.9	-172.6	0	108.4
128	A	33	Very low	33.1	Very low	93 Å²	93	153 Å²	153	77%	0.769	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-76.3	142.8	157.9	0	0	0	0	0	107.9
129	P	34.4	Very low	32.7	Very low	123 Å²	123	149.9 Å²	149.9	80%	0.799	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-73.9	127.2	168	29.1	-29	0	0	0	109.3
130	Q	30.8	Very low	32.7	Very low	165 Å²	165	144.5 Å²	144.5	77%	0.771	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-81.8	133.8	169.3	-179.8	176.2	-37.3	0	0	108.2	D132	Q130-D132 PolarHBondContact NE2-OD1 3.2Å
131	V	30	Very low	32.5	Very low	126 Å²	126	147 Å²	147	76%	0.764	82%	0.824	S	S	*	*			trans	-91.1	105.3	177.7	-174.7	0	0	0	0	108.2
132	D	26.1	Very low	32.3	Very low	136 Å²	136	143 Å²	143	73%	0.727	82%	0.821	S	S	*	*			trans	-83.5	118.3	170	-79.2	-25.3	0	0	0	109.7	Q130	Q130-D132 PolarHBondContact NE2-OD1 3.2Å
133	L	40	Very low	32.1	Very low	168 Å²	168	139.2 Å²	139.2	88%	0.88	82%	0.815	S	S	*	*			trans	-93.3	101.6	170.1	-90.3	158.5	0	0	0	108.7
134	Q	31	Very low	32.3	Very low	193 Å²	193	143.1 Å²	143.1	90%	0.902	83%	0.825	S	S	*	*			trans	-144.2	143.4	159.9	-141.2	151.9	26.7	0	0	112.8
135	S	33.2	Very low	32.1	Very low	103 Å²	103	142.4 Å²	142.4	72%	0.72	83%	0.825	S	S	*	*			trans	-80.8	147	-167.4	51.6	0	0	0	0	113.7
136	D	28.9	Very low	32.2	Very low	168 Å²	168	141 Å²	141	90%	0.898	82%	0.821	S	S	*	*			trans	-146.7	154.4	145.2	-105.8	-34.3	0	0	0	112
137	Q	30.7	Very low	31.9	Very low	183 Å²	183	138.6 Å²	138.6	86%	0.855	82%	0.82	S	S	*	*			trans	-84.4	160.1	-171.6	-74	-176.4	-6.8	0	0	113.3
138	P	34.4	Very low	32.4	Very low	133 Å²	133	134.9 Å²	134.9	86%	0.864	82%	0.816	S	S	*	*			trans	-80.6	132.4	-177.4	32.2	-34.1	0	0	0	112.5
139	S	26.1	Very low	32.6	Very low	120 Å²	120	138 Å²	138	84%	0.839	82%	0.82	S	S	*	*			trans	-108.1	134.6	160.9	55.2	0	0	0	0	110.4
140	T	32.6	Very low	32.8	Very low	131 Å²	131	136.5 Å²	136.5	80%	0.804	82%	0.817	S	S	*	*			trans	-77.6	129.8	179.8	49	0	0	0	0	111.5
141	D	29.8	Very low	33.5	Very low	167 Å²	167	131.2 Å²	131.2	89%	0.893	81%	0.808	S	S	*	*				-166	147.4	125.4	-102.8	-22.6	0	0	0	111.7
142	G	29.2	Very low	34.5	Very low	78 Å²	78	134.3 Å²	134.3	80%	0.804	81%	0.813	S	S	*	*			trans	-96.5	135.7	-168.6	0	0	0	0	0	114.5
143	A	30.9	Very low	36.1	Very low	97 Å²	97	137.5 Å²	137.5	80%	0.802	82%	0.815	S	S	*	*			trans	-137.4	113.9	156.6	0	0	0	0	0	109	A145	A143-A145 PolarHBondContact O-N 3.36Å; A143-A145 VanDerWaalsContact O-N 3.16Å
144	V	37.8	Very low	37.8	Very low	153 Å²	153	136.4 Å²	136.4	93%	0.927	81%	0.809	S	S	*	*			trans	-76.9	102.2	-179.9	179	0	0	0	0	109.2
145	A	31.6	Very low	40.1	Very low	90 Å²	90	130 Å²	130	74%	0.744	78%	0.783	S	S	*	*			trans	-114.5	104.8	164.5	0	0	0	0	0	108.5	A143 E147	A143-A145 PolarHBondContact O-N 3.36Å; A143-A145 VanDerWaalsContact O-N 3.16Å; A145-E147 PolarHBondContact O-N 2.86Å; A145-E147 VanDerWaalsContact O-N 3.1Å
146	S	35.1	Very low	42.5	Very low	112 Å²	112	127.9 Å²	127.9	78%	0.783	76%	0.763	S	S	*	*			trans	-79.1	87.1	178.6	56.2	0	0	0	0	110.8
147	E	31.7	Very low	45	Very low	173 Å²	173	132 Å²	132	81%	0.808	77%	0.766	S	S	*	*			trans	-82.3	133.4	158.3	-65.7	-161.8	154.6	0	0	109.3	A145 N149	A145-E147 PolarHBondContact O-N 2.86Å; A145-E147 VanDerWaalsContact O-N 3.1Å; E147-N149 PolarHBondContact O-N 2.58Å
148	P	42.8	Very low	47.4	Very low	121 Å²	121	126.2 Å²	126.2	79%	0.786	76%	0.756	S	S	*	*			trans	-66.5	121.5	170.5	28.5	-31.8	0	0	0	108	A150	P148-A150 VanDerWaalsContact C-N 3.33Å; P148-A150 PolarHBondContact O-N 3.22Å
149	N	36.5	Very low	49.7	Very low	159 Å²	159	120.9 Å²	120.9	85%	0.85	72%	0.721	S	S	*	*			trans	-62	89.4	-174.5	-164.5	7	0	0	0	110.8	E147 G151	E147-N149 PolarHBondContact O-N 2.58Å; N149-G151 PolarHBondContact O-N 2.93Å
150	A	40.1	Very low	52.3	Low	90 Å²	90	118.5 Å²	118.5	74%	0.744	70%	0.699	S	S	*	*			trans	-74.2	68.3	173.2	0	0	0	0	0	108.9	P148 H152	P148-A150 VanDerWaalsContact C-N 3.33Å; P148-A150 PolarHBondContact O-N 3.22Å; A150-H152 PolarHBondContact O-N 3.45Å; A150-H152 VanDerWaalsContact O-N 3.11Å
151	G	45.2	Very low	54.6	Low	55 Å²	55	112.3 Å²	112.3	57%	0.567	66%	0.661	S	S	*	*			trans	-50.2	120.9	176	0	0	0	0	0	109.1	N149 R153	N149-G151 PolarHBondContact O-N 2.93Å; G151-R153 PolarHBondContact O-N 3.34Å
152	H	50	Low	57.3	Low	190 Å²	190	106 Å²	106	88%	0.88	63%	0.627	S	S	*	*			trans	-50.5	115.3	-178.9	-80.3	-98.2	0	0	0	108.8	A150 L154	A150-H152 PolarHBondContact O-N 3.45Å; A150-H152 VanDerWaalsContact O-N 3.11Å; H152-L154 PolarHBondContact O-N 3.07Å
153	R	59.7	Low	59.9	Low	204 Å²	204	104.7 Å²	104.7	77%	0.77	60%	0.603	S	S	*	*			trans	-69.3	86.7	-176.5	-165	174.2	-180	169.2	-0.4	107.9	G151 V155	G151-R153 PolarHBondContact O-N 3.34Å; R153-V155 HydrophobicContact CG-CG2 4.16Å; R153-V155 PolarHBondContact O-N 3.2Å; R153-V155 VanDerWaalsContact O-N 3.13Å
154	L	75.8	Confident	62.5	Low	144 Å²	144	101.7 Å²	101.7	75%	0.754	58%	0.582	S	S	*	*			trans	-68.5	108.5	-178	-169.3	74.4	0	0	0	108.1	H152 N162	H152-L154 PolarHBondContact O-N 3.07Å; L154-N162 WeakPolarHBondContact O-CB 3.46Å
155	V	80.3	Confident	64.8	Low	58 Å²	58	97.4 Å²	97.4	35%	0.352	56%	0.556	S	S	.	*			trans	-122.3	139.8	-179	174.9	0	0	0	0	107.5	R153 T159 V161 N162	R153-V155 HydrophobicContact CG-CG2 4.16Å; R153-V155 PolarHBondContact O-N 3.2Å; R153-V155 VanDerWaalsContact O-N 3.13Å; V155-T159 WeakPolarHBondContact CG1-O 3.35Å; V155-V161 WeakPolarHBondContact CA-O 3.44Å; V155-N162 HydrophobicContact CG2-CB 4.45Å
156	I	82.8	Confident	67.4	Low	60 Å²	60	93.1 Å²	93.1	31%	0.308	52%	0.521	S	S	.	.			trans	-71.6	140.1	-179.1	-57.9	166.8	0	0	0	109.2	G158 T159 V161 V163 E236	I156-G158 PolarHBondContact O-N 3.24Å; I156-G158 VanDerWaalsContact O-N 3.08Å; I156-T159 PolarHBondContact O-N 3.11Å; I156-T159 VanDerWaalsContact O-N 3.11Å; I156-T159 PolarHBondContact O-OG1 3.46Å; I156-V161 PolarHBondContact N-O 2.96Å; I156-V163 HydrophobicContact CD1-CG2 3.79Å; I156-V163 HydrophobicContact CG1-CG2 4.35Å; I156-E236 HydrophobicContact CD1-CB 4.05Å; I156-E236 HydrophobicContact CD1-CG 4.05Å; I156-E236 VanDerWaalsContact CD1-OE2 3.32Å; I156-E236 WeakPolarHBondContact CD1-OE2 3.43Å; I156-E236 VanDerWaalsContact CG2-OE1 3.25Å; I156-E236 WeakPolarHBondContact CG2-OE1 3.41Å
157	W	81.8	Confident	69.9	Low	253 Å²	253	89.8 Å²	89.8	96%	0.958	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	113.4	-175.4	175.6	-88.7	0	0	0	111.5
158	G	80.3	Confident	72.6	Confident	62 Å²	62	86.4 Å²	86.4	64%	0.639	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.1	-4.7	-179.7	0	0	0	0	0	114.5	I156	I156-G158 PolarHBondContact O-N 3.24Å; I156-G158 VanDerWaalsContact O-N 3.08Å
159	T	83.5	Confident	74.7	Confident	22 Å²	22	82.3 Å²	82.3	14%	0.135	45%	0.447	C	S	.	.	S	Bend	trans	-122.7	172.2	175.7	73.4	0	0	0	0	110.9	V155 I156 Y233 E236	V155-T159 WeakPolarHBondContact CG1-O 3.35Å; I156-T159 PolarHBondContact O-N 3.11Å; I156-T159 VanDerWaalsContact O-N 3.11Å; I156-T159 PolarHBondContact O-OG1 3.46Å; T159-Y233 HydrophobicContact CG2-CD1 3.38Å; T159-Y233 HydrophobicContact CG2-CD2 4.17Å; T159-Y233 HydrophobicContact CG2-CE1 3.44Å; T159-Y233 VanDerWaalsContact CG2-CE1 3.44Å; T159-Y233 HydrophobicContact CG2-CE2 4.22Å; T159-Y233 HydrophobicContact CG2-CG 3.76Å; T159-E236 WeakPolarHBondContact CB-OE2 3.24Å; T159-E236 WeakPolarHBondContact CG2-OE1 3.36Å; T159-E236 WeakPolarHBondContact CG2-OE2 3.37Å; T159-E236 PolarHBondContact OG1-OE2 3.4Å
160	D	81.8	Confident	77.2	Confident	69 Å²	69	74.8 Å²	74.8	37%	0.369	41%	0.406	S	S	.	.			trans	-103.1	11.6	172.1	62	-8.1	0	0	0	112.2	R228 Y233	D160-R228 IonicContact OD1-NH2 3.93Å; D160-R228 IonicContact OD2-CZ 3.79Å; D160-R228 IonicContact OD2-NH1 3.41Å; D160-R228 PolarHBondContact OD2-NH1 3.24Å; D160-R228 IonicContact OD2-NH2 2.8Å; D160-R228 PolarHBondContact OD2-NH2 2.83Å; D160-Y233 WeakPolarHBondContact OD1-CE2 3.22Å
161	V	80.4	Confident	79.4	Confident	1 Å²	1	71.9 Å²	71.9	1%	0.006	38%	0.377	C	S	.	.			trans	-88.5	129.4	-169	-176.7	0	0	0	0	110.9	V155 I156 Q229 Y233 V237	V155-V161 WeakPolarHBondContact CA-O 3.44Å; I156-V161 PolarHBondContact N-O 2.96Å; V161-Q229 HydrophobicContact CG2-CB 4.32Å; V161-Q229 HydrophobicContact CG2-CG 4.14Å; V161-Y233 HydrophobicContact CG2-CD2 3.64Å; V161-Y233 HydrophobicContact CG2-CE2 4.36Å; V161-Y233 HydrophobicContact CG2-CG 4.28Å; V161-V237 HydrophobicContact CG1-CG2 4.34Å
162	N	86.1	Confident	81.4	Confident	34 Å²	34	73.8 Å²	73.8	18%	0.182	37%	0.367	C	S	.	.			trans	-112.3	108.6	170	171.8	-5.8	0	0	0	109.2	L154 V155 G164 T165 C166	L154-N162 WeakPolarHBondContact O-CB 3.46Å; V155-N162 HydrophobicContact CG2-CB 4.45Å; N162-G164 VanDerWaalsContact C-N 3.29Å; N162-G164 PolarHBondContact O-N 2.73Å; N162-G164 PolarHBondContact OD1-N 3.47Å; N162-G164 VanDerWaalsContact OD1-N 3.15Å; N162-T165 WeakPolarHBondContact CB-OG1 3.28Å; N162-T165 PolarHBondContact O-N 3.21Å; N162-T165 PolarHBondContact O-OG1 3.15Å; N162-C166 PolarHBondContact O-N 3.04Å; N162-C166 PolarHBondContact O-SG 3.23Å
163	V	84.7	Confident	83.2	Confident	51 Å²	51	64.8 Å²	64.8	31%	0.309	33%	0.326	S	S	.	.	H	α-helix	trans	-47.5	-47.1	-175.8	-179.2	0	0	0	0	112.5	I156 T165 C166 K167 T240	I156-V163 HydrophobicContact CD1-CG2 3.79Å; I156-V163 HydrophobicContact CG1-CG2 4.35Å; V163-T165 PolarHBondContact O-N 3.15Å; V163-C166 PolarHBondContact O-N 3.19Å; V163-K167 VanDerWaalsContact O-CB 3.24Å; V163-K167 WeakPolarHBondContact O-CB 3.31Å; V163-K167 PolarHBondContact O-N 3.18Å; V163-T240 HydrophobicContact CG1-CG2 3.86Å
164	G	85.1	Confident	84.3	Confident	34 Å²	34	55 Å²	55	35%	0.351	29%	0.289	S	S	.	.	H	α-helix	trans	-62.1	-45.7	-178.4	0	0	0	0	0	112.4	N162 K167 E168	N162-G164 VanDerWaalsContact C-N 3.29Å; N162-G164 PolarHBondContact O-N 2.73Å; N162-G164 PolarHBondContact OD1-N 3.47Å; N162-G164 VanDerWaalsContact OD1-N 3.15Å; G164-K167 PolarHBondContact O-N 3.11Å; G164-E168 PolarHBondContact O-N 3.48Å; G164-E168 VanDerWaalsContact O-N 3.07Å
165	T	86.1	Confident	84.6	Confident	63 Å²	63	52.5 Å²	52.5	39%	0.387	27%	0.273	S	S	.	.	H	α-helix	trans	-69.2	-35.7	179.4	55.2	0	0	0	0	113.2	N162 V163 K169	N162-T165 WeakPolarHBondContact CB-OG1 3.28Å; N162-T165 PolarHBondContact O-N 3.21Å; N162-T165 PolarHBondContact O-OG1 3.15Å; V163-T165 PolarHBondContact O-N 3.15Å; T165-K169 WeakPolarHBondContact O-CB 3.49Å; T165-K169 VanDerWaalsContact O-CG 3.24Å; T165-K169 WeakPolarHBondContact O-CG 3.5Å; T165-K169 PolarHBondContact O-N 3.11Å; T165-K169 VanDerWaalsContact O-N 3.12Å
166	C	85.6	Confident	84.7	Confident	1 Å²	1	57.7 Å²	57.7	1%	0.007	29%	0.286	C	S	.	.	H	α-helix	trans	-68.6	-42.4	177.3	-60	0	0	0	0	111	N162 V163 K169 F170 L226 Q229 T240	N162-C166 PolarHBondContact O-N 3.04Å; N162-C166 PolarHBondContact O-SG 3.23Å; V163-C166 PolarHBondContact O-N 3.19Å; C166-K169 PolarHBondContact O-N 3.09Å; C166-F170 WeakPolarHBondContact O-CB 3.35Å; C166-F170 PolarHBondContact O-N 3.13Å; C166-L226 HydrophobicContact CB-CD1 4.1Å; C166-Q229 PolarHBondContact SG-OE1 2.83Å; C166-T240 HydrophobicContact CB-CG2 4.23Å
167	K	88.6	Confident	84.4	Confident	42 Å²	42	55.5 Å²	55.5	18%	0.183	28%	0.275	C	S	.	.	H	α-helix	trans	-58.6	-53.4	175.4	-176.1	-172.2	174.6	-166.7	0	112.1	V163 G164 K169 F170 Q171 T240 A244 E247	V163-K167 VanDerWaalsContact O-CB 3.24Å; V163-K167 WeakPolarHBondContact O-CB 3.31Å; V163-K167 PolarHBondContact O-N 3.18Å; G164-K167 PolarHBondContact O-N 3.11Å; K167-K169 VanDerWaalsContact C-N 3.34Å; K167-K169 PolarHBondContact O-N 3.17Å; K167-F170 PolarHBondContact O-N 3.26Å; K167-Q171 WeakPolarHBondContact O-CG 3.35Å; K167-Q171 PolarHBondContact O-N 3.21Å; K167-T240 HydrophobicContact CB-CG2 3.91Å; K167-A244 HydrophobicContact CG-CB 3.96Å; K167-E247 VanDerWaalsContact CE-CD 3.45Å; K167-E247 WeakPolarHBondContact CE-OE1 3.46Å; K167-E247 WeakPolarHBondContact CE-OE2 3.24Å; K167-E247 IonicContact NZ-OE1 2.64Å; K167-E247 PolarHBondContact NZ-OE1 3.08Å; K167-E247 IonicContact NZ-OE2 2.69Å; K167-E247 PolarHBondContact NZ-OE2 3.33Å
168	E	88	Confident	83.9	Confident	101 Å²	101	46.9 Å²	46.9	47%	0.472	25%	0.25	S	S	.	.	H	α-helix	trans	-61.7	-40.5	178.5	-71.6	179.8	-151.4	0	0	112.8	G164 F170 Q171 R172	G164-E168 PolarHBondContact O-N 3.48Å; G164-E168 VanDerWaalsContact O-N 3.07Å; E168-F170 VanDerWaalsContact C-N 3.3Å; E168-F170 PolarHBondContact O-N 2.75Å; E168-Q171 PolarHBondContact O-N 3.05Å; E168-R172 WeakPolarHBondContact O-CB 3.43Å; E168-R172 WeakPolarHBondContact O-CG 3.43Å; E168-R172 PolarHBondContact O-N 3.11Å; E168-R172 PolarHBondContact O-NE 3.32Å; E168-R172 IonicContact OE2-CZ 2.71Å; E168-R172 IonicContact OE2-NH2 2.7Å; E168-R172 PolarHBondContact OE2-NH2 3.25Å
169	K	87.1	Confident	83.1	Confident	36 Å²	36	44.8 Å²	44.8	16%	0.157	22%	0.224	C	C	.	.	H	α-helix	trans	-60.1	-42.9	175.7	-80.4	174.8	163.9	-149.3	0	110.9	T165 C166 K167 R172 F173 D223 E225 L226	T165-K169 WeakPolarHBondContact O-CB 3.49Å; T165-K169 VanDerWaalsContact O-CG 3.24Å; T165-K169 WeakPolarHBondContact O-CG 3.5Å; T165-K169 PolarHBondContact O-N 3.11Å; T165-K169 VanDerWaalsContact O-N 3.12Å; C166-K169 PolarHBondContact O-N 3.09Å; K167-K169 VanDerWaalsContact C-N 3.34Å; K167-K169 PolarHBondContact O-N 3.17Å; K169-R172 PolarHBondContact O-N 3.12Å; K169-F173 PolarHBondContact O-N 2.89Å; K169-D223 VanDerWaalsContact CD-OD2 3.29Å; K169-D223 WeakPolarHBondContact CD-OD2 3.19Å; K169-D223 VanDerWaalsContact CE-OD2 3.25Å; K169-D223 WeakPolarHBondContact CE-OD2 3.32Å; K169-D223 IonicContact NZ-OD1 3.83Å; K169-D223 IonicContact NZ-OD2 3.06Å; K169-D223 PolarHBondContact NZ-OD2 2.93Å; K169-E225 IonicContact NZ-OE2 3.39Å; K169-E225 PolarHBondContact NZ-OE2 3.25Å; K169-L226 HydrophobicContact CB-CD2 4.33Å
170	F	87.8	Confident	81.9	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-71.4	-38.7	179.8	-168.6	-111.5	0	0	0	112.8	C166 K167 E168 R172 F173 L174 L226 F241 A244 V245 V264	C166-F170 WeakPolarHBondContact O-CB 3.35Å; C166-F170 PolarHBondContact O-N 3.13Å; K167-F170 PolarHBondContact O-N 3.26Å; E168-F170 VanDerWaalsContact C-N 3.3Å; E168-F170 PolarHBondContact O-N 2.75Å; F170-R172 VanDerWaalsContact C-N 3.33Å; F170-R172 PolarHBondContact O-N 3.02Å; F170-F173 AromaticContact CD2-CD1 3.85Å; F170-F173 HydrophobicContact CD2-CD1 3.85Å; F170-F173 AromaticContact CE2-CD1 3.74Å; F170-F173 HydrophobicContact CE2-CD1 3.74Å; F170-F173 AromaticContact CE2-CE1 3.99Å; F170-F173 HydrophobicContact CE2-CE1 3.99Å; F170-F173 WeakPolarHBondContact O-CB 3.49Å; F170-F173 PolarHBondContact O-N 3.46Å; F170-F173 VanDerWaalsContact O-N 3.15Å; F170-L174 HydrophobicContact CD1-CD1 3.84Å; F170-L174 HydrophobicContact CD1-CG 4.36Å; F170-L174 HydrophobicContact CE1-CD1 3.59Å; F170-L174 HydrophobicContact CE1-CD2 4.35Å; F170-L174 HydrophobicContact CE1-CG 4.11Å; F170-L174 HydrophobicContact CZ-CD1 4.21Å; F170-L174 HydrophobicContact CZ-CD2 4.15Å; F170-L174 HydrophobicContact CZ-CG 4.29Å; F170-L174 WeakPolarHBondContact O-CG 3.07Å; F170-L174 PolarHBondContact O-N 2.9Å; F170-L226 HydrophobicContact CB-CD2 4.25Å; F170-L226 HydrophobicContact CD2-CD2 4.2Å; F170-F241 HydrophobicContact CB-CD1 3.87Å; F170-F241 HydrophobicContact CB-CE1 3.77Å; F170-F241 HydrophobicContact CD1-CB 4.02Å; F170-F241 AromaticContact CD1-CD1 3.59Å; F170-F241 HydrophobicContact CD1-CD1 3.59Å; F170-F241 HydrophobicContact CD1-CE1 4.21Å; F170-F241 AromaticContact CD1-CG 3.89Å; F170-F241 HydrophobicContact CD1-CG 3.89Å; F170-F241 AromaticContact CD2-CD1 3.72Å; F170-F241 HydrophobicContact CD2-CD1 3.72Å; F170-F241 HydrophobicContact CD2-CD2 4.33Å; F170-F241 AromaticContact CD2-CE1 3.51Å; F170-F241 HydrophobicContact CD2-CE1 3.51Å; F170-F241 HydrophobicContact CD2-CE2 4.14Å; F170-F241 HydrophobicContact CD2-CG 4.13Å; F170-F241 AromaticContact CD2-CZ 3.73Å; F170-F241 HydrophobicContact CD2-CZ 3.73Å; F170-F241 HydrophobicContact CE1-CB 3.65Å; F170-F241 AromaticContact CE1-CD1 3.97Å; F170-F241 HydrophobicContact CE1-CD1 3.97Å; F170-F241 HydrophobicContact CE1-CD2 4.35Å; F170-F241 AromaticContact CE1-CG 3.76Å; F170-F241 HydrophobicContact CE1-CG 3.76Å; F170-F241 HydrophobicContact CE2-CD1 4.12Å; F170-F241 AromaticContact CE2-CD2 3.95Å; F170-F241 HydrophobicContact CE2-CD2 3.95Å; F170-F241 HydrophobicContact CE2-CE1 4.12Å; F170-F241 AromaticContact CE2-CE2 3.94Å; F170-F241 HydrophobicContact CE2-CE2 3.94Å; F170-F241 HydrophobicContact CE2-CG 4.04Å; F170-F241 HydrophobicContact CE2-CZ 4.02Å; F170-F241 AromaticContact CG-CD1 3.44Å; F170-F241 HydrophobicContact CG-CD1 3.44Å; F170-F241 VanDerWaalsContact CG-CD1 3.44Å; F170-F241 AromaticContact CG-CE1 3.56Å; F170-F241 HydrophobicContact CG-CE1 3.56Å; F170-F241 HydrophobicContact CG-CG 4.06Å; F170-F241 HydrophobicContact CG-CZ 4.26Å; F170-F241 HydrophobicContact CZ-CB 4.05Å; F170-F241 HydrophobicContact CZ-CD1 4.23Å; F170-F241 AromaticContact CZ-CD2 3.96Å; F170-F241 HydrophobicContact CZ-CD2 3.96Å; F170-F241 HydrophobicContact CZ-CE2 4.41Å; F170-F241 AromaticContact CZ-CG 3.85Å; F170-F241 HydrophobicContact CZ-CG 3.85Å; F170-A244 HydrophobicContact CD1-CB 3.78Å; F170-V245 HydrophobicContact CE1-CG2 3.92Å; F170-V264 HydrophobicContact CZ-CG1 4.43Å
171	Q	87.5	Confident	80.6	Confident	30 Å²	30	52 Å²	52	14%	0.14	27%	0.273	C	S	.	.	H	α-helix	trans	-59.8	-43.8	171.4	-71.8	173.6	-34.1	0	0	111.4	K167 E168 F173 L174 Q175 A244 E247 L248	K167-Q171 WeakPolarHBondContact O-CG 3.35Å; K167-Q171 PolarHBondContact O-N 3.21Å; E168-Q171 PolarHBondContact O-N 3.05Å; Q171-F173 VanDerWaalsContact C-N 3.31Å; Q171-F173 PolarHBondContact O-N 2.84Å; Q171-L174 PolarHBondContact O-N 3.2Å; Q171-Q175 WeakPolarHBondContact O-CB 3.17Å; Q171-Q175 WeakPolarHBondContact O-CG 3.46Å; Q171-Q175 PolarHBondContact O-N 2.89Å; Q171-A244 HydrophobicContact CG-CB 3.99Å; Q171-E247 PolarHBondContact NE2-OE2 2.94Å; Q171-L248 HydrophobicContact CB-CD1 4.31Å; Q171-L248 HydrophobicContact CG-CD1 4.07Å; Q171-L248 HydrophobicContact CG-CD2 4.47Å; Q171-L248 HydrophobicContact CG-CG 4.14Å
172	R	86.6	Confident	79	Confident	94 Å²	94	53.3 Å²	53.3	36%	0.355	28%	0.282	S	S	.	.	H	α-helix	trans	-64.3	-32.4	174.6	-73.5	-178.7	-111.7	131.7	-10.6	113.2	E168 K169 F170 R176 F222	E168-R172 WeakPolarHBondContact O-CB 3.43Å; E168-R172 WeakPolarHBondContact O-CG 3.43Å; E168-R172 PolarHBondContact O-N 3.11Å; E168-R172 PolarHBondContact O-NE 3.32Å; E168-R172 IonicContact OE2-CZ 2.71Å; E168-R172 IonicContact OE2-NH2 2.7Å; E168-R172 PolarHBondContact OE2-NH2 3.25Å; K169-R172 PolarHBondContact O-N 3.12Å; F170-R172 VanDerWaalsContact C-N 3.33Å; F170-R172 PolarHBondContact O-N 3.02Å; R172-R176 VanDerWaalsContact O-CB 3.25Å; R172-R176 WeakPolarHBondContact O-CB 3.46Å; R172-R176 VanDerWaalsContact O-CG 3.28Å; R172-R176 WeakPolarHBondContact O-CG 3.39Å; R172-R176 PolarHBondContact O-N 3.43Å; R172-F222 HydrophobicContact CB-CZ 4.33Å
173	F	86.9	Confident	77.2	Confident	1 Å²	1	56.2 Å²	56.2	0%	0.004	30%	0.301	C	S	.	.	H	α-helix	trans	-64.8	-55.2	172.4	163.9	-106.7	0	0	0	110.7	K169 F170 Q171 Q175 R176 F177 Y197 V214 H218 V219 F222	K169-F173 PolarHBondContact O-N 2.89Å; F170-F173 AromaticContact CD2-CD1 3.85Å; F170-F173 HydrophobicContact CD2-CD1 3.85Å; F170-F173 AromaticContact CE2-CD1 3.74Å; F170-F173 HydrophobicContact CE2-CD1 3.74Å; F170-F173 AromaticContact CE2-CE1 3.99Å; F170-F173 HydrophobicContact CE2-CE1 3.99Å; F170-F173 WeakPolarHBondContact O-CB 3.49Å; F170-F173 PolarHBondContact O-N 3.46Å; F170-F173 VanDerWaalsContact O-N 3.15Å; Q171-F173 VanDerWaalsContact C-N 3.31Å; Q171-F173 PolarHBondContact O-N 2.84Å; F173-Q175 VanDerWaalsContact C-N 3.26Å; F173-Q175 PolarHBondContact O-N 2.93Å; F173-R176 PolarHBondContact O-N 3.32Å; F173-R176 VanDerWaalsContact O-N 3.11Å; F173-F177 HydrophobicContact CD2-CB 4.03Å; F173-F177 HydrophobicContact CD2-CD2 4.06Å; F173-F177 HydrophobicContact CD2-CG 4.25Å; F173-F177 HydrophobicContact CE2-CB 3.94Å; F173-F177 HydrophobicContact CE2-CD1 4.48Å; F173-F177 AromaticContact CE2-CD2 3.52Å; F173-F177 HydrophobicContact CE2-CD2 3.52Å; F173-F177 HydrophobicContact CE2-CE2 4.19Å; F173-F177 AromaticContact CE2-CG 3.7Å; F173-F177 HydrophobicContact CE2-CG 3.7Å; F173-F177 HydrophobicContact CZ-CD2 4.46Å; F173-F177 HydrophobicContact CZ-CG 4.33Å; F173-F177 VanDerWaalsContact O-CB 3.23Å; F173-F177 WeakPolarHBondContact O-CB 3.34Å; F173-F177 PolarHBondContact O-N 3.42Å; F173-Y197 HydrophobicContact CE1-CD2 4.04Å; F173-Y197 AromaticContact CE1-CE2 3.65Å; F173-Y197 HydrophobicContact CE1-CE2 3.65Å; F173-Y197 HydrophobicContact CE2-CE2 4.15Å; F173-Y197 HydrophobicContact CZ-CD2 4.05Å; F173-Y197 AromaticContact CZ-CE2 3.31Å; F173-Y197 HydrophobicContact CZ-CE2 3.31Å; F173-Y197 AromaticContact CZ-CZ 3.9Å; F173-V214 HydrophobicContact CE1-CG1 4.32Å; F173-H218 HydrophobicContact CE2-CB 4.08Å; F173-H218 WeakPolarHBondContact CE2-O 3.39Å; F173-H218 HydrophobicContact CZ-CB 3.85Å; F173-V219 HydrophobicContact CE1-CG2 3.86Å; F173-V219 HydrophobicContact CE2-CG2 4.45Å; F173-V219 HydrophobicContact CZ-CB 4.49Å; F173-V219 HydrophobicContact CZ-CG2 3.78Å; F173-F222 HydrophobicContact CB-CD1 3.75Å; F173-F222 HydrophobicContact CB-CE1 3.79Å; F173-F222 HydrophobicContact CB-CG 4.28Å; F173-F222 HydrophobicContact CB-CZ 4.37Å; F173-F222 HydrophobicContact CD2-CB 3.66Å; F173-F222 HydrophobicContact CD2-CD1 4.02Å; F173-F222 HydrophobicContact CD2-CD2 4.36Å; F173-F222 AromaticContact CD2-CG 3.77Å; F173-F222 HydrophobicContact CD2-CG 3.77Å; F173-F222 HydrophobicContact CE2-CB 4.19Å; F173-F222 HydrophobicContact CG-CD1 4.35Å
174	L	83.9	Confident	75.3	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-57.8	-36.6	-179.6	-65.2	170.6	0	0	0	112.8	F170 Q171 Y197 L212 V245 L248	F170-L174 HydrophobicContact CD1-CD1 3.84Å; F170-L174 HydrophobicContact CD1-CG 4.36Å; F170-L174 HydrophobicContact CE1-CD1 3.59Å; F170-L174 HydrophobicContact CE1-CD2 4.35Å; F170-L174 HydrophobicContact CE1-CG 4.11Å; F170-L174 HydrophobicContact CZ-CD1 4.21Å; F170-L174 HydrophobicContact CZ-CD2 4.15Å; F170-L174 HydrophobicContact CZ-CG 4.29Å; F170-L174 WeakPolarHBondContact O-CG 3.07Å; F170-L174 PolarHBondContact O-N 2.9Å; Q171-L174 PolarHBondContact O-N 3.2Å; L174-Y197 HydrophobicContact CD2-CD1 4.13Å; L174-Y197 HydrophobicContact CD2-CD2 4.2Å; L174-Y197 HydrophobicContact CD2-CG 3.71Å; L174-L212 HydrophobicContact CD2-CD2 4.39Å; L174-V245 HydrophobicContact CD1-CG2 3.83Å; L174-L248 HydrophobicContact CB-CD1 3.95Å; L174-L248 HydrophobicContact CD1-CD1 3.51Å; L174-L248 HydrophobicContact CG-CD1 4.38Å
175	Q	82.7	Confident	73.6	Confident	90 Å²	90	65.2 Å²	65.2	42%	0.421	33%	0.334	S	S	.	.	H	α-helix	trans	-76.7	-24.6	178.5	-73.2	174.5	-3.7	0	0	115.1	Q171 F173 M198 L248	Q171-Q175 WeakPolarHBondContact O-CB 3.17Å; Q171-Q175 WeakPolarHBondContact O-CG 3.46Å; Q171-Q175 PolarHBondContact O-N 2.89Å; F173-Q175 VanDerWaalsContact C-N 3.26Å; F173-Q175 PolarHBondContact O-N 2.93Å; Q175-M198 HydrophobicContact CB-CE 4.12Å; Q175-M198 HydrophobicContact CG-CE 3.42Å; Q175-M198 VanDerWaalsContact CG-CE 3.42Å; Q175-L248 HydrophobicContact CG-CD2 4.37Å
176	R	81.1	Confident	71.9	Confident	167 Å²	167	67 Å²	67	63%	0.63	34%	0.338	S	S	*	.	H	α-helix	trans	-118.3	-8.2	-169.3	-62.5	-179.5	179.5	-172.3	-1.3	114.5	R172 F173 T178 F222	R172-R176 VanDerWaalsContact O-CB 3.25Å; R172-R176 WeakPolarHBondContact O-CB 3.46Å; R172-R176 VanDerWaalsContact O-CG 3.28Å; R172-R176 WeakPolarHBondContact O-CG 3.39Å; R172-R176 PolarHBondContact O-N 3.43Å; F173-R176 PolarHBondContact O-N 3.32Å; F173-R176 VanDerWaalsContact O-N 3.11Å; R176-T178 PolarHBondContact O-N 2.56Å; R176-T178 VanDerWaalsContact O-N 3.11Å; R176-F222 HydrophobicContact CB-CE2 4.21Å
177	F	77.2	Confident	69.9	Low	15 Å²	15	68.4 Å²	68.4	7%	0.066	35%	0.345	C	S	.	.			trans	-78.3	98.4	-176.7	-170.9	-93.9	0	0	0	111.5	F173 D179 P195 L196 Y197 H218	F173-F177 HydrophobicContact CD2-CB 4.03Å; F173-F177 HydrophobicContact CD2-CD2 4.06Å; F173-F177 HydrophobicContact CD2-CG 4.25Å; F173-F177 HydrophobicContact CE2-CB 3.94Å; F173-F177 HydrophobicContact CE2-CD1 4.48Å; F173-F177 AromaticContact CE2-CD2 3.52Å; F173-F177 HydrophobicContact CE2-CD2 3.52Å; F173-F177 HydrophobicContact CE2-CE2 4.19Å; F173-F177 AromaticContact CE2-CG 3.7Å; F173-F177 HydrophobicContact CE2-CG 3.7Å; F173-F177 HydrophobicContact CZ-CD2 4.46Å; F173-F177 HydrophobicContact CZ-CG 4.33Å; F173-F177 VanDerWaalsContact O-CB 3.23Å; F173-F177 WeakPolarHBondContact O-CB 3.34Å; F173-F177 PolarHBondContact O-N 3.42Å; F177-D179 HydrophobicContact CE1-CB 3.91Å; F177-D179 HydrophobicContact CZ-CB 4.34Å; F177-P195 WeakPolarHBondContact O-CA 3.5Å; F177-L196 PolarHBondContact O-N 3.03Å; F177-Y197 HydrophobicContact CB-CD2 4.14Å; F177-Y197 HydrophobicContact CB-CE2 4.36Å; F177-Y197 AromaticContact CD1-CD2 3.92Å; F177-Y197 HydrophobicContact CD1-CD2 3.92Å; F177-Y197 AromaticContact CD1-CE2 3.55Å; F177-Y197 HydrophobicContact CD1-CE2 3.55Å; F177-Y197 HydrophobicContact CE1-CE2 4.15Å; F177-Y197 HydrophobicContact CG-CD2 4.32Å; F177-Y197 HydrophobicContact CG-CE2 4.07Å; F177-H218 HydrophobicContact CD1-CB 4.46Å; F177-H218 HydrophobicContact CD2-CB 4.49Å; F177-H218 HydrophobicContact CE1-CB 3.8Å; F177-H218 AromaticContact CE1-CG 3.65Å; F177-H218 AromaticContact CE1-ND1 3.43Å; F177-H218 WeakPolarHBondContact CE1-ND1 3.19Å; F177-H218 HydrophobicContact CE2-CB 3.84Å; F177-H218 HydrophobicContact CZ-CB 3.46Å; F177-H218 VanDerWaalsContact CZ-CB 3.46Å; F177-H218 AromaticContact CZ-CG 3.5Å; F177-H218 VanDerWaalsContact CZ-CG 3.5Å; F177-H218 AromaticContact CZ-ND1 3.79Å
178	T	70.7	Confident	67.9	Low	72 Å²	72	68.3 Å²	68.3	44%	0.442	35%	0.352	S	S	.	.			trans	-95.3	130.4	161.3	54	0	0	0	0	108.5	R176 P180	R176-T178 PolarHBondContact O-N 2.56Å; R176-T178 VanDerWaalsContact O-N 3.11Å; T178-P180 WeakPolarHBondContact O-CD 3.47Å
179	D	63.1	Low	66.2	Low	18 Å²	18	67.2 Å²	67.2	10%	0.096	37%	0.368	C	S	.	.			trans	-91.2	118	178.3	-167.6	-9	0	0	0	111.2	F177 T181 S182 H218	F177-D179 HydrophobicContact CE1-CB 3.91Å; F177-D179 HydrophobicContact CZ-CB 4.34Å; D179-T181 WeakPolarHBondContact OD1-CA 3.37Å; D179-T181 PolarHBondContact OD1-N 2.93Å; D179-T181 PolarHBondContact OD1-OG1 3.28Å; D179-S182 PolarHBondContact OD1-N 2.89Å; D179-S182 WeakPolarHBondContact OD2-CB 3.33Å; D179-S182 PolarHBondContact OD2-OG 3.48Å; D179-H218 IonicContact OD2-CE1 3.65Å; D179-H218 IonicContact OD2-NE2 2.97Å
180	P	58.3	Low	64.6	Low	120 Å²	120	67.3 Å²	67.3	78%	0.779	37%	0.37	S	S	*	.	S	Bend	trans	-92.2	3.7	173	37.2	-33.9	0	0	0	113.4	T178	T178-P180 WeakPolarHBondContact O-CD 3.47Å
181	T	54.3	Low	63.1	Low	122 Å²	122	73 Å²	73	75%	0.748	40%	0.4	S	S	*	.			trans	-128.1	-4	-162.5	36.5	0	0	0	0	116.4	D179	D179-T181 WeakPolarHBondContact OD1-CA 3.37Å; D179-T181 PolarHBondContact OD1-N 2.93Å; D179-T181 PolarHBondContact OD1-OG1 3.28Å
182	S	46.9	Very low	61.8	Low	29 Å²	29	77 Å²	77	20%	0.203	42%	0.422	C	S	.	.			trans	-67.5	129.9	178.5	33.9	0	0	0	0	112.9	D179 N187	D179-S182 PolarHBondContact OD1-N 2.89Å; D179-S182 WeakPolarHBondContact OD2-CB 3.33Å; D179-S182 PolarHBondContact OD2-OG 3.48Å; S182-N187 PolarHBondContact OG-ND2 3.43Å
183	T	48.3	Very low	60.6	Low	95 Å²	95	80 Å²	80	58%	0.583	45%	0.446	S	S	*	.			trans	-60.1	147.9	170	40.6	0	0	0	0	111.7	D185 E186	T183-D185 PolarHBondContact O-N 3.09Å; T183-E186 PolarHBondContact O-N 2.68Å; T183-E186 VanDerWaalsContact O-N 3.12Å
184	E	45	Very low	59.6	Low	182 Å²	182	83.1 Å²	83.1	85%	0.85	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-20.2	-169.5	-58.8	-177.7	157.6	0	0	115.2
185	D	50.6	Low	59.3	Low	92 Å²	92	84.3 Å²	84.3	49%	0.492	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-28.7	-179.3	-66.5	-36.7	0	0	0	114.9	T183 R449	T183-D185 PolarHBondContact O-N 3.09Å; D185-R449 IonicContact OD1-CZ 2.67Å; D185-R449 IonicContact OD1-NH1 3.2Å; D185-R449 PolarHBondContact OD1-NH1 2.98Å; D185-R449 IonicContact OD1-NH2 3.41Å; D185-R449 PolarHBondContact OD1-NH2 3.46Å; D185-R449 IonicContact OD2-NH2 3.1Å; D185-R449 PolarHBondContact OD2-NH2 3.11Å
186	E	50.4	Low	59	Low	101 Å²	101	81.4 Å²	81.4	47%	0.472	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-16.4	-179.9	-69.5	-168.4	168.9	0	0	112.8	T183	T183-E186 PolarHBondContact O-N 2.68Å; T183-E186 VanDerWaalsContact O-N 3.12Å
187	N	43.5	Very low	59.1	Low	30 Å²	30	73.7 Å²	73.7	16%	0.16	43%	0.426	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	24.4	-172	-78.2	-2.2	0	0	0	114.6	S182 G189 L190 L192	S182-N187 PolarHBondContact OG-ND2 3.43Å; N187-G189 PolarHBondContact O-N 3.17Å; N187-L190 PolarHBondContact O-N 3.26Å; N187-L192 WeakPolarHBondContact ND2-CD2 3.18Å
188	A	46.2	Very low	59.3	Low	39 Å²	39	74.3 Å²	74.3	32%	0.322	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	71.1	-179	0	0	0	0	0	113.9	T446	A188-T446 HydrophobicContact CB-CG2 3.81Å; A188-T446 WeakPolarHBondContact CB-OG1 3.46Å
189	G	51.4	Low	59.8	Low	78 Å²	78	71.9 Å²	71.9	80%	0.804	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	118.5	10.8	178.4	0	0	0	0	0	116	N187	N187-G189 PolarHBondContact O-N 3.17Å
190	L	55.2	Low	60.6	Low	38 Å²	38	74.2 Å²	74.2	20%	0.199	42%	0.422	C	S	.	.			trans	-101.3	124.5	-179.7	-63.5	177.8	0	0	0	111.2	N187 L192 Q199	N187-L190 PolarHBondContact O-N 3.26Å; L190-L192 PolarHBondContact O-N 2.96Å; L190-Q199 HydrophobicContact CD2-CB 3.95Å
191	D	56.1	Low	61.7	Low	119 Å²	119	68.9 Å²	68.9	64%	0.636	39%	0.387	S	S	*	.			trans	-70.1	110.6	178	-90.9	-30.3	0	0	0	110.9	N193 E194 Q199	D191-N193 PolarHBondContact O-N 3.33Å; D191-E194 PolarHBondContact O-N 3.43Å; D191-Q199 PolarHBondContact O-NE2 3.39Å
192	L	60.2	Low	63.1	Low	114 Å²	114	66 Å²	66	60%	0.597	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-12.6	-177.3	-59.8	175	0	0	0	115.5	N187 L190	N187-L192 WeakPolarHBondContact ND2-CD2 3.18Å; L190-L192 PolarHBondContact O-N 2.96Å
193	N	60.7	Low	64.7	Low	159 Å²	159	68.1 Å²	68.1	85%	0.85	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-8.3	179.8	-66.7	-50.1	0	0	0	113.5	D191	D191-N193 PolarHBondContact O-N 3.33Å
194	E	66.9	Low	66.4	Low	65 Å²	65	64.3 Å²	64.3	30%	0.304	35%	0.348	S	S	.	.	S	Bend	trans	-110	147.2	178.2	-167.7	175.8	-154.7	0	0	110.2	D191 L196 Q199	D191-E194 PolarHBondContact O-N 3.43Å; E194-L196 PolarHBondContact O-N 2.83Å; E194-Q199 HydrophobicContact CB-CG 4.49Å; E194-Q199 HydrophobicContact CG-CG 4.29Å; E194-Q199 VanDerWaalsContact OE2-CG 3.31Å; E194-Q199 WeakPolarHBondContact OE2-CG 3.44Å; E194-Q199 PolarHBondContact OE2-NE2 3.48Å
195	P	75.8	Confident	68.1	Low	26 Å²	26	57.2 Å²	57.2	17%	0.169	32%	0.318	C	S	.	.			trans	-57.5	120.3	175.1	18.7	-33.3	0	0	0	112.9	F177 Y197 M198 Q199	F177-P195 WeakPolarHBondContact O-CA 3.5Å; P195-Y197 PolarHBondContact O-N 3.31Å; P195-Y197 VanDerWaalsContact O-N 3.13Å; P195-M198 HydrophobicContact CB-CB 4.41Å; P195-M198 HydrophobicContact CB-CG 4.06Å; P195-M198 HydrophobicContact CG-CB 3.96Å; P195-M198 HydrophobicContact CG-CG 3.59Å; P195-M198 WeakPolarHBondContact O-CB 3.3Å; P195-M198 PolarHBondContact O-N 3.01Å; P195-Q199 PolarHBondContact O-N 3.05Å
196	L	78	Confident	69.6	Low	28 Å²	28	58.8 Å²	58.8	15%	0.147	33%	0.331	C	S	.	.	H	α-helix	trans	-52.8	-38.6	-177.6	176.7	150.7	0	0	0	112.8	F177 E194 M198 Q199 K200	F177-L196 PolarHBondContact O-N 3.03Å; E194-L196 PolarHBondContact O-N 2.83Å; L196-M198 VanDerWaalsContact C-N 3.32Å; L196-M198 PolarHBondContact O-N 3.25Å; L196-Q199 PolarHBondContact O-N 2.93Å; L196-K200 HydrophobicContact CD2-CG 4.22Å; L196-K200 WeakPolarHBondContact O-CG 3.41Å; L196-K200 PolarHBondContact O-N 2.91Å
197	Y	81.8	Confident	71	Confident	5 Å²	5	58.2 Å²	58.2	2%	0.02	33%	0.334	C	S	.	.	H	α-helix	trans	-72.5	-22.4	178.8	-69.4	-67.7	0	0	0	114.1	F173 L174 F177 P195 L201 V214 H218	F173-Y197 HydrophobicContact CE1-CD2 4.04Å; F173-Y197 AromaticContact CE1-CE2 3.65Å; F173-Y197 HydrophobicContact CE1-CE2 3.65Å; F173-Y197 HydrophobicContact CE2-CE2 4.15Å; F173-Y197 HydrophobicContact CZ-CD2 4.05Å; F173-Y197 AromaticContact CZ-CE2 3.31Å; F173-Y197 HydrophobicContact CZ-CE2 3.31Å; F173-Y197 AromaticContact CZ-CZ 3.9Å; L174-Y197 HydrophobicContact CD2-CD1 4.13Å; L174-Y197 HydrophobicContact CD2-CD2 4.2Å; L174-Y197 HydrophobicContact CD2-CG 3.71Å; F177-Y197 HydrophobicContact CB-CD2 4.14Å; F177-Y197 HydrophobicContact CB-CE2 4.36Å; F177-Y197 AromaticContact CD1-CD2 3.92Å; F177-Y197 HydrophobicContact CD1-CD2 3.92Å; F177-Y197 AromaticContact CD1-CE2 3.55Å; F177-Y197 HydrophobicContact CD1-CE2 3.55Å; F177-Y197 HydrophobicContact CE1-CE2 4.15Å; F177-Y197 HydrophobicContact CG-CD2 4.32Å; F177-Y197 HydrophobicContact CG-CE2 4.07Å; P195-Y197 PolarHBondContact O-N 3.31Å; P195-Y197 VanDerWaalsContact O-N 3.13Å; Y197-L201 VanDerWaalsContact O-CG 3.28Å; Y197-L201 WeakPolarHBondContact O-CG 3.47Å; Y197-L201 PolarHBondContact O-N 3.47Å; Y197-L201 VanDerWaalsContact O-N 3.15Å; Y197-V214 HydrophobicContact CE1-CB 4.46Å; Y197-V214 HydrophobicContact CE1-CG1 4.28Å; Y197-V214 HydrophobicContact CE1-CG2 4.11Å; Y197-H218 HydrophobicContact CE2-CB 4.37Å; Y197-H218 AromaticContact CZ-ND1 3.84Å; Y197-H218 WeakPolarHBondContact OH-CB 3.35Å; Y197-H218 PolarHBondContact OH-ND1 2.81Å
198	M	81.3	Confident	72.7	Confident	29 Å²	29	58.6 Å²	58.6	14%	0.143	35%	0.345	C	S	.	.	H	α-helix	trans	-74.1	-46.6	171.7	-67.8	-64.1	174.7	0	0	110.4	Q175 P195 L196 K200 L201 E202 L248	Q175-M198 HydrophobicContact CB-CE 4.12Å; Q175-M198 HydrophobicContact CG-CE 3.42Å; Q175-M198 VanDerWaalsContact CG-CE 3.42Å; P195-M198 HydrophobicContact CB-CB 4.41Å; P195-M198 HydrophobicContact CB-CG 4.06Å; P195-M198 HydrophobicContact CG-CB 3.96Å; P195-M198 HydrophobicContact CG-CG 3.59Å; P195-M198 WeakPolarHBondContact O-CB 3.3Å; P195-M198 PolarHBondContact O-N 3.01Å; L196-M198 VanDerWaalsContact C-N 3.32Å; L196-M198 PolarHBondContact O-N 3.25Å; M198-K200 VanDerWaalsContact C-N 3.27Å; M198-K200 PolarHBondContact O-N 3.11Å; M198-L201 CarbonylContact O-C 3.54Å; M198-L201 WeakPolarHBondContact O-CA 3.44Å; M198-L201 WeakPolarHBondContact O-CB 3.34Å; M198-L201 PolarHBondContact O-N 3.43Å; M198-L201 HydrophobicContact SD-CD1 4.27Å; M198-E202 WeakPolarHBondContact O-CG 3.35Å; M198-E202 PolarHBondContact O-N 3.26Å; M198-L248 HydrophobicContact CE-CD1 4.46Å
199	Q	81	Confident	74.2	Confident	21 Å²	21	62 Å²	62	10%	0.098	36%	0.358	C	S	.	.	H	α-helix	trans	-58.4	-39.7	174.5	-69.4	175.2	-20.1	0	0	111.7	L190 D191 E194 P195 L196 L201 E202 E203	L190-Q199 HydrophobicContact CD2-CB 3.95Å; D191-Q199 PolarHBondContact O-NE2 3.39Å; E194-Q199 HydrophobicContact CB-CG 4.49Å; E194-Q199 HydrophobicContact CG-CG 4.29Å; E194-Q199 VanDerWaalsContact OE2-CG 3.31Å; E194-Q199 WeakPolarHBondContact OE2-CG 3.44Å; E194-Q199 PolarHBondContact OE2-NE2 3.48Å; P195-Q199 PolarHBondContact O-N 3.05Å; L196-Q199 PolarHBondContact O-N 2.93Å; Q199-L201 VanDerWaalsContact C-N 3.31Å; Q199-L201 PolarHBondContact O-N 3.38Å; Q199-E202 PolarHBondContact O-N 3.05Å; Q199-E203 WeakPolarHBondContact O-CB 3.26Å; Q199-E203 PolarHBondContact O-N 3.43Å
200	K	79.9	Confident	75.7	Confident	67 Å²	67	59.7 Å²	59.7	29%	0.291	33%	0.329	S	S	.	.	H	α-helix	trans	-63.9	-31.2	172.1	-71	-74.8	157.1	-159.9	0	113.4	L196 M198 E203 I204 L212	L196-K200 HydrophobicContact CD2-CG 4.22Å; L196-K200 WeakPolarHBondContact O-CG 3.41Å; L196-K200 PolarHBondContact O-N 2.91Å; M198-K200 VanDerWaalsContact C-N 3.27Å; M198-K200 PolarHBondContact O-N 3.11Å; K200-E203 VanDerWaalsContact CD-OE2 3.31Å; K200-E203 WeakPolarHBondContact CD-OE2 3.41Å; K200-E203 WeakPolarHBondContact CE-OE2 3.39Å; K200-E203 IonicContact NZ-OE1 3.8Å; K200-E203 IonicContact NZ-OE2 2.74Å; K200-E203 PolarHBondContact NZ-OE2 3.46Å; K200-I204 WeakPolarHBondContact O-CB 3.48Å; K200-I204 WeakPolarHBondContact O-CD1 3.25Å; K200-I204 WeakPolarHBondContact O-CG1 3.49Å; K200-I204 PolarHBondContact O-N 2.93Å; K200-L212 HydrophobicContact CB-CD1 4.19Å
201	L	83.2	Confident	77.1	Confident	7 Å²	7	59.4 Å²	59.4	4%	0.037	33%	0.329	C	S	.	.	H	α-helix	trans	-74.9	-32.5	172.9	-74.3	166.7	0	0	0	112.8	Y197 M198 Q199 I204 S205 L212 V245 I262	Y197-L201 VanDerWaalsContact O-CG 3.28Å; Y197-L201 WeakPolarHBondContact O-CG 3.47Å; Y197-L201 PolarHBondContact O-N 3.47Å; Y197-L201 VanDerWaalsContact O-N 3.15Å; M198-L201 CarbonylContact O-C 3.54Å; M198-L201 WeakPolarHBondContact O-CA 3.44Å; M198-L201 WeakPolarHBondContact O-CB 3.34Å; M198-L201 PolarHBondContact O-N 3.43Å; M198-L201 HydrophobicContact SD-CD1 4.27Å; Q199-L201 VanDerWaalsContact C-N 3.31Å; Q199-L201 PolarHBondContact O-N 3.38Å; L201-I204 HydrophobicContact CD2-CD1 4.43Å; L201-S205 PolarHBondContact O-N 3.46Å; L201-L212 HydrophobicContact CD2-CD1 4.41Å; L201-L212 HydrophobicContact CD2-CD2 4.47Å; L201-V245 HydrophobicContact CD2-CG1 3.76Å; L201-I262 HydrophobicContact CD2-CD1 4.36Å
202	E	82.5	Confident	78.6	Confident	63 Å²	63	53.9 Å²	53.9	29%	0.294	30%	0.299	S	S	.	.	H	α-helix	trans	-70.2	-40.5	171.3	-50.8	-148.1	137.8	0	0	111.2	M198 Q199 I204 S205 V206 R252 F253	M198-E202 WeakPolarHBondContact O-CG 3.35Å; M198-E202 PolarHBondContact O-N 3.26Å; Q199-E202 PolarHBondContact O-N 3.05Å; E202-I204 PolarHBondContact O-N 3.15Å; E202-S205 PolarHBondContact O-N 3.44Å; E202-S205 VanDerWaalsContact O-N 3.16Å; E202-S205 PolarHBondContact O-OG 3.22Å; E202-V206 WeakPolarHBondContact O-CG2 3.48Å; E202-V206 PolarHBondContact O-N 3.39Å; E202-R252 IonicContact OE1-CZ 3.93Å; E202-R252 VanDerWaalsContact OE1-CZ 3.26Å; E202-R252 IonicContact OE1-NE 3.93Å; E202-R252 PolarHBondContact OE1-NE 3.06Å; E202-R252 VanDerWaalsContact OE1-NE 3.17Å; E202-R252 IonicContact OE1-NH2 3.74Å; E202-R252 PolarHBondContact OE1-NH2 2.99Å; E202-F253 HydrophobicContact CB-CZ 4.3Å; E202-F253 HydrophobicContact CG-CE2 4.36Å; E202-F253 HydrophobicContact CG-CZ 3.91Å
203	E	81.1	Confident	79.8	Confident	72 Å²	72	52.1 Å²	52.1	34%	0.336	29%	0.29	S	S	.	.	H	α-helix	trans	-59.1	-46.4	171.7	-173.8	-178.6	179	0	0	111	Q199 K200 S205 V206 V207	Q199-E203 WeakPolarHBondContact O-CB 3.26Å; Q199-E203 PolarHBondContact O-N 3.43Å; K200-E203 VanDerWaalsContact CD-OE2 3.31Å; K200-E203 WeakPolarHBondContact CD-OE2 3.41Å; K200-E203 WeakPolarHBondContact CE-OE2 3.39Å; K200-E203 IonicContact NZ-OE1 3.8Å; K200-E203 IonicContact NZ-OE2 2.74Å; K200-E203 PolarHBondContact NZ-OE2 3.46Å; E203-S205 VanDerWaalsContact C-N 3.31Å; E203-S205 PolarHBondContact O-N 3.37Å; E203-V206 PolarHBondContact O-N 3.01Å; E203-V207 HydrophobicContact CG-CG2 4.21Å; E203-V207 WeakPolarHBondContact O-CB 3.44Å; E203-V207 VanDerWaalsContact O-CG2 3.29Å; E203-V207 WeakPolarHBondContact O-CG2 3.34Å; E203-V207 PolarHBondContact O-N 2.98Å
204	I	82.8	Confident	81	Confident	15 Å²	15	44.7 Å²	44.7	8%	0.077	25%	0.251	C	S	.	.	H	α-helix	trans	-58.1	-40	173.5	-77.2	164.2	0	0	0	111.9	K200 L201 E202 V206 G208 D209 V211 L212 I262	K200-I204 WeakPolarHBondContact O-CB 3.48Å; K200-I204 WeakPolarHBondContact O-CD1 3.25Å; K200-I204 WeakPolarHBondContact O-CG1 3.49Å; K200-I204 PolarHBondContact O-N 2.93Å; L201-I204 HydrophobicContact CD2-CD1 4.43Å; E202-I204 PolarHBondContact O-N 3.15Å; I204-V206 VanDerWaalsContact C-N 3.33Å; I204-V206 PolarHBondContact O-N 2.83Å; I204-G208 WeakPolarHBondContact O-CA 3.28Å; I204-G208 PolarHBondContact O-N 3.08Å; I204-D209 WeakPolarHBondContact CG2-O 3.28Å; I204-V211 WeakPolarHBondContact CD1-O 3.42Å; I204-L212 HydrophobicContact CD1-CB 4.06Å; I204-L212 HydrophobicContact CD1-CD1 3.71Å; I204-I262 HydrophobicContact CG2-CD1 4.49Å
205	S	80.7	Confident	81.9	Confident	34 Å²	34	42.3 Å²	42.3	24%	0.238	24%	0.24	C	C	.	.	H	α-helix	trans	-70	-29.4	179.3	81.6	0	0	0	0	113.1	L201 E202 E203	L201-S205 PolarHBondContact O-N 3.46Å; E202-S205 PolarHBondContact O-N 3.44Å; E202-S205 VanDerWaalsContact O-N 3.16Å; E202-S205 PolarHBondContact O-OG 3.22Å; E203-S205 VanDerWaalsContact C-N 3.31Å; E203-S205 PolarHBondContact O-N 3.37Å
206	V	83.2	Confident	82.2	Confident	125 Å²	125	41.1 Å²	41.1	76%	0.758	23%	0.232	S	C	*	.	H	α-helix	trans	-82.4	-41.1	176.4	174.1	0	0	0	0	112.5	E202 E203 I204	E202-V206 WeakPolarHBondContact O-CG2 3.48Å; E202-V206 PolarHBondContact O-N 3.39Å; E203-V206 PolarHBondContact O-N 3.01Å; I204-V206 VanDerWaalsContact C-N 3.33Å; I204-V206 PolarHBondContact O-N 2.83Å
207	V	80.3	Confident	82.4	Confident	89 Å²	89	46.1 Å²	46.1	54%	0.539	25%	0.249	S	C	.	.	H	α-helix	trans	-76.4	-35.1	-179.4	175.5	0	0	0	0	111.4	E203 D209	E203-V207 HydrophobicContact CG-CG2 4.21Å; E203-V207 WeakPolarHBondContact O-CB 3.44Å; E203-V207 VanDerWaalsContact O-CG2 3.29Å; E203-V207 WeakPolarHBondContact O-CG2 3.34Å; E203-V207 PolarHBondContact O-N 2.98Å; V207-D209 HydrophobicContact CG1-CB 4.09Å
208	G	77.5	Confident	82.6	Confident	38 Å²	38	46.8 Å²	46.8	39%	0.392	25%	0.253	S	S	.	.			trans	86.1	1.2	-178.4	0	0	0	0	0	115	I204 P210	I204-G208 WeakPolarHBondContact O-CA 3.28Å; I204-G208 PolarHBondContact O-N 3.08Å; G208-P210 WeakPolarHBondContact O-CD 3.41Å
209	D	78.9	Confident	82.7	Confident	109 Å²	109	45.5 Å²	45.5	58%	0.583	25%	0.246	S	C	*	.			trans	-82.6	112.5	178	-81.8	-25	0	0	0	111	I204 V207 V211	I204-D209 WeakPolarHBondContact CG2-O 3.28Å; V207-D209 HydrophobicContact CG1-CB 4.09Å; D209-V211 PolarHBondContact O-N 3.36Å
210	P	82.4	Confident	82.8	Confident	30 Å²	30	48 Å²	48	20%	0.195	26%	0.258	C	S	.	.			trans	-82.2	46.5	-169.7	36.3	-39.1	0	0	0	113	G208 I262 Q263	G208-P210 WeakPolarHBondContact O-CD 3.41Å; P210-I262 HydrophobicContact CB-CG1 4.48Å; P210-I262 WeakPolarHBondContact O-CA 3.17Å; P210-Q263 PolarHBondContact O-N 2.71Å
211	V	84.4	Confident	83	Confident	33 Å²	33	49 Å²	49	20%	0.2	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	115	-174.1	179.8	0	0	0	0	111	I204 D209 R265	I204-V211 WeakPolarHBondContact CD1-O 3.42Å; D209-V211 PolarHBondContact O-N 3.36Å; V211-R265 HydrophobicContact CG1-CG 4.03Å
212	L	87.3	Confident	82.9	Confident	3 Å²	3	52.8 Å²	52.8	2%	0.016	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	104.6	175.2	-173.9	70.1	0	0	0	110.6	L174 K200 L201 I204 V214 V245 I262 Q263 V264 R265	L174-L212 HydrophobicContact CD2-CD2 4.39Å; K200-L212 HydrophobicContact CB-CD1 4.19Å; L201-L212 HydrophobicContact CD2-CD1 4.41Å; L201-L212 HydrophobicContact CD2-CD2 4.47Å; I204-L212 HydrophobicContact CD1-CB 4.06Å; I204-L212 HydrophobicContact CD1-CD1 3.71Å; L212-V214 HydrophobicContact CD2-CG2 3.97Å; L212-V214 HydrophobicContact CG-CG2 3.91Å; L212-V245 HydrophobicContact CD2-CG1 4.26Å; L212-V245 HydrophobicContact CD2-CG2 3.78Å; L212-I262 HydrophobicContact CB-CG2 4.13Å; L212-Q263 PolarHBondContact N-O 3.05Å; L212-V264 HydrophobicContact CD2-CG2 4.5Å; L212-V264 WeakPolarHBondContact O-CA 3.35Å; L212-R265 PolarHBondContact O-N 3.01Å
213	N	86.6	Confident	83	Confident	77 Å²	77	51.3 Å²	51.3	41%	0.412	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	124.4	172.2	-66.9	-45.2	0	0	0	110.1	R265 Y267 H424	N213-R265 WeakPolarHBondContact OD1-CB 3.32Å; N213-Y267 HydrophobicContact CB-CD1 4.15Å; N213-Y267 HydrophobicContact CB-CE1 3.84Å; N213-H424 PolarHBondContact OD1-ND1 2.84Å
214	V	86.4	Confident	83.3	Confident	3 Å²	3	51 Å²	51	2%	0.018	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	118.4	-177.5	178.9	0	0	0	0	111	F173 Y197 L212 C216 V219 V264 R265 P266 Y267	F173-V214 HydrophobicContact CE1-CG1 4.32Å; Y197-V214 HydrophobicContact CE1-CB 4.46Å; Y197-V214 HydrophobicContact CE1-CG1 4.28Å; Y197-V214 HydrophobicContact CE1-CG2 4.11Å; L212-V214 HydrophobicContact CD2-CG2 3.97Å; L212-V214 HydrophobicContact CG-CG2 3.91Å; V214-C216 PolarHBondContact O-N 3.39Å; V214-V219 HydrophobicContact CG1-CG2 3.94Å; V214-V264 HydrophobicContact CB-CG1 4.27Å; V214-V264 HydrophobicContact CG2-CG1 3.77Å; V214-R265 PolarHBondContact N-O 3.28Å; V214-P266 CarbonylContact O-C 3.52Å; V214-P266 VanDerWaalsContact O-CA 3.29Å; V214-P266 WeakPolarHBondContact O-CA 3.34Å; V214-Y267 VanDerWaalsContact C-CD1 3.43Å; V214-Y267 VanDerWaalsContact O-CD1 3.29Å; V214-Y267 WeakPolarHBondContact O-CD1 3.39Å; V214-Y267 PolarHBondContact O-N 2.99Å
215	N	85.4	Confident	83.5	Confident	14 Å²	14	54.7 Å²	54.7	8%	0.075	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	119.6	175.2	-171.1	-7.1	0	0	0	110.7	R217 H218 Y267 N268	N215-R217 PolarHBondContact O-N 3.39Å; N215-R217 VanDerWaalsContact O-N 3.17Å; N215-R217 PolarHBondContact OD1-N 3.09Å; N215-H218 PolarHBondContact ND2-CD2 2.72Å; N215-H218 PolarHBondContact ND2-NE2 2.78Å; N215-H218 WeakPolarHBondContact O-CB 3.37Å; N215-H218 PolarHBondContact O-N 2.7Å; N215-Y267 HydrophobicContact CB-CE1 4.1Å; N215-Y267 HydrophobicContact CB-CE2 4.07Å; N215-Y267 VanDerWaalsContact N-CE1 3.33Å; N215-N268 PolarHBondContact OD1-ND2 3.07Å
216	C	81.6	Confident	83.8	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.014	30%	0.3	C	S	.	.	H	α-helix	trans	-64.4	-21.8	-178.5	-61.7	0	0	0	0	113.1	V214 H218 V219 Q220 Y227 P266 Y267	V214-C216 PolarHBondContact O-N 3.39Å; C216-H218 VanDerWaalsContact C-N 3.31Å; C216-H218 PolarHBondContact O-N 3.18Å; C216-V219 PolarHBondContact O-N 2.9Å; C216-Q220 PolarHBondContact O-N 2.86Å; C216-Q220 VanDerWaalsContact O-N 3.08Å; C216-Y227 HydrophobicContact CB-CD2 4.26Å; C216-Y227 HydrophobicContact CB-CE2 3.83Å; C216-Y227 WeakPolarHBondContact O-CD2 3.23Å; C216-Y227 WeakPolarHBondContact O-CE2 3.29Å; C216-P266 VanDerWaalsContact SG-CB 3.57Å; C216-Y267 WeakPolarHBondContact CB-O 3.31Å; C216-Y267 PolarHBondContact N-O 3.42Å; C216-Y267 PolarHBondContact SG-O 2.86Å
217	R	82.2	Confident	84	Confident	132 Å²	132	48.1 Å²	48.1	50%	0.498	27%	0.268	S	S	.	.	H	α-helix	trans	-63.4	-35.8	172.6	-65.2	-172.4	-173.9	173.6	3.8	112.5	N215 Q220 S221 N268	N215-R217 PolarHBondContact O-N 3.39Å; N215-R217 VanDerWaalsContact O-N 3.17Å; N215-R217 PolarHBondContact OD1-N 3.09Å; R217-Q220 WeakPolarHBondContact O-CB 3.29Å; R217-Q220 PolarHBondContact O-N 3.17Å; R217-S221 PolarHBondContact O-N 3.34Å; R217-S221 VanDerWaalsContact O-N 3.08Å; R217-N268 WeakPolarHBondContact CD-ND2 3.34Å; R217-N268 PolarHBondContact NE-ND2 3.26Å; R217-N268 PolarHBondContact NE-OD1 3.25Å; R217-N268 PolarHBondContact NH2-OD1 2.87Å
218	H	85.1	Confident	84.4	Confident	20 Å²	20	48.8 Å²	48.8	9%	0.093	26%	0.261	C	S	.	.	H	α-helix	trans	-68.6	-45.3	-179	-61	-173.4	0	0	0	109.4	F173 F177 D179 Y197 N215 C216 Q220 S221 F222	F173-H218 HydrophobicContact CE2-CB 4.08Å; F173-H218 WeakPolarHBondContact CE2-O 3.39Å; F173-H218 HydrophobicContact CZ-CB 3.85Å; F177-H218 HydrophobicContact CD1-CB 4.46Å; F177-H218 HydrophobicContact CD2-CB 4.49Å; F177-H218 HydrophobicContact CE1-CB 3.8Å; F177-H218 AromaticContact CE1-CG 3.65Å; F177-H218 AromaticContact CE1-ND1 3.43Å; F177-H218 WeakPolarHBondContact CE1-ND1 3.19Å; F177-H218 HydrophobicContact CE2-CB 3.84Å; F177-H218 HydrophobicContact CZ-CB 3.46Å; F177-H218 VanDerWaalsContact CZ-CB 3.46Å; F177-H218 AromaticContact CZ-CG 3.5Å; F177-H218 VanDerWaalsContact CZ-CG 3.5Å; F177-H218 AromaticContact CZ-ND1 3.79Å; D179-H218 IonicContact OD2-CE1 3.65Å; D179-H218 IonicContact OD2-NE2 2.97Å; Y197-H218 HydrophobicContact CE2-CB 4.37Å; Y197-H218 AromaticContact CZ-ND1 3.84Å; Y197-H218 WeakPolarHBondContact OH-CB 3.35Å; Y197-H218 PolarHBondContact OH-ND1 2.81Å; N215-H218 PolarHBondContact ND2-CD2 2.72Å; N215-H218 PolarHBondContact ND2-NE2 2.78Å; N215-H218 WeakPolarHBondContact O-CB 3.37Å; N215-H218 PolarHBondContact O-N 2.7Å; C216-H218 VanDerWaalsContact C-N 3.31Å; C216-H218 PolarHBondContact O-N 3.18Å; H218-Q220 VanDerWaalsContact C-N 3.29Å; H218-Q220 PolarHBondContact O-N 3.26Å; H218-S221 PolarHBondContact O-N 3.04Å; H218-S221 PolarHBondContact O-OG 3.46Å; H218-F222 PolarHBondContact O-N 2.92Å
219	V	84.1	Confident	84.9	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.012	24%	0.244	C	C	.	.	H	α-helix	trans	-56.6	-43.2	173.3	-175.8	0	0	0	0	111.2	F173 V214 C216 F222 D223 L226	F173-V219 HydrophobicContact CE1-CG2 3.86Å; F173-V219 HydrophobicContact CE2-CG2 4.45Å; F173-V219 HydrophobicContact CZ-CB 4.49Å; F173-V219 HydrophobicContact CZ-CG2 3.78Å; V214-V219 HydrophobicContact CG1-CG2 3.94Å; C216-V219 PolarHBondContact O-N 2.9Å; V219-F222 PolarHBondContact O-N 3.4Å; V219-D223 CarbonylContact O-C 3.57Å; V219-D223 PolarHBondContact O-N 3.46Å; V219-L226 HydrophobicContact CG1-CB 4.45Å; V219-L226 HydrophobicContact CG1-CD2 4.08Å; V219-L226 HydrophobicContact CG1-CG 4.2Å
220	Q	83	Confident	85.4	Confident	72 Å²	72	42.3 Å²	42.3	34%	0.336	22%	0.217	S	C	.	.	H	α-helix	trans	-63.3	-41.1	178.8	-172.7	-172.3	4	0	0	113.3	C216 R217 H218 F222 Y227	C216-Q220 PolarHBondContact O-N 2.86Å; C216-Q220 VanDerWaalsContact O-N 3.08Å; R217-Q220 WeakPolarHBondContact O-CB 3.29Å; R217-Q220 PolarHBondContact O-N 3.17Å; H218-Q220 VanDerWaalsContact C-N 3.29Å; H218-Q220 PolarHBondContact O-N 3.26Å; Q220-F222 VanDerWaalsContact C-N 3.26Å; Q220-F222 PolarHBondContact O-N 3.09Å; Q220-Y227 HydrophobicContact CB-CD1 4.15Å; Q220-Y227 HydrophobicContact CB-CD2 3.82Å; Q220-Y227 HydrophobicContact CB-CE1 4.48Å; Q220-Y227 HydrophobicContact CB-CE2 4.18Å; Q220-Y227 HydrophobicContact CB-CG 3.8Å; Q220-Y227 HydrophobicContact CG-CD1 3.89Å; Q220-Y227 HydrophobicContact CG-CD2 4.46Å; Q220-Y227 HydrophobicContact CG-CE1 4.15Å; Q220-Y227 HydrophobicContact CG-CG 4.05Å
221	S	83.8	Confident	85.7	Confident	90 Å²	90	41.5 Å²	41.5	63%	0.629	21%	0.211	S	C	*	.	H	α-helix	trans	-67.1	-27.5	-179.8	68.8	0	0	0	0	113.1	R217 H218	R217-S221 PolarHBondContact O-N 3.34Å; R217-S221 VanDerWaalsContact O-N 3.08Å; H218-S221 PolarHBondContact O-N 3.04Å; H218-S221 PolarHBondContact O-OG 3.46Å
222	F	81.7	Confident	85.8	Confident	85 Å²	85	42 Å²	42	37%	0.373	22%	0.215	S	C	.	.	H	α-helix	trans	-87.5	-47.9	176.6	-173.6	-95.3	0	0	0	112.8	R172 F173 R176 H218 V219 Q220	R172-F222 HydrophobicContact CB-CZ 4.33Å; F173-F222 HydrophobicContact CB-CD1 3.75Å; F173-F222 HydrophobicContact CB-CE1 3.79Å; F173-F222 HydrophobicContact CB-CG 4.28Å; F173-F222 HydrophobicContact CB-CZ 4.37Å; F173-F222 HydrophobicContact CD2-CB 3.66Å; F173-F222 HydrophobicContact CD2-CD1 4.02Å; F173-F222 HydrophobicContact CD2-CD2 4.36Å; F173-F222 AromaticContact CD2-CG 3.77Å; F173-F222 HydrophobicContact CD2-CG 3.77Å; F173-F222 HydrophobicContact CE2-CB 4.19Å; F173-F222 HydrophobicContact CG-CD1 4.35Å; R176-F222 HydrophobicContact CB-CE2 4.21Å; H218-F222 PolarHBondContact O-N 2.92Å; V219-F222 PolarHBondContact O-N 3.4Å; Q220-F222 VanDerWaalsContact C-N 3.26Å; Q220-F222 PolarHBondContact O-N 3.09Å
223	D	85.1	Confident	86	Confident	32 Å²	32	45.4 Å²	45.4	17%	0.171	23%	0.228	C	C	.	.			trans	-149.2	107.7	178.4	-172.5	-3.4	0	0	0	113	K169 V219 E225 L226 Y227	K169-D223 VanDerWaalsContact CD-OD2 3.29Å; K169-D223 WeakPolarHBondContact CD-OD2 3.19Å; K169-D223 VanDerWaalsContact CE-OD2 3.25Å; K169-D223 WeakPolarHBondContact CE-OD2 3.32Å; K169-D223 IonicContact NZ-OD1 3.83Å; K169-D223 IonicContact NZ-OD2 3.06Å; K169-D223 PolarHBondContact NZ-OD2 2.93Å; V219-D223 CarbonylContact O-C 3.57Å; V219-D223 PolarHBondContact O-N 3.46Å; D223-E225 VanDerWaalsContact C-N 3.3Å; D223-E225 PolarHBondContact O-N 3.43Å; D223-E225 VanDerWaalsContact OD1-CB 3.32Å; D223-E225 WeakPolarHBondContact OD1-CB 3.17Å; D223-E225 PolarHBondContact OD1-N 3.43Å; D223-L226 HydrophobicContact CB-CB 4.08Å; D223-L226 PolarHBondContact O-N 3.36Å; D223-Y227 PolarHBondContact O-N 3.49Å; D223-Y227 VanDerWaalsContact O-N 3.16Å
224	A	86.6	Confident	86.2	Confident	67 Å²	67	41.7 Å²	41.7	55%	0.554	21%	0.208	S	C	*	.	H	α-helix	trans	-66.4	-25.2	176.2	0	0	0	0	0	114	R228	A224-R228 PolarHBondContact O-N 2.91Å
225	E	87.6	Confident	86.3	Confident	91 Å²	91	45.3 Å²	45.3	43%	0.425	23%	0.225	S	C	.	.	H	α-helix	trans	-70.9	-45	176.6	-173.4	-178.2	-157.3	0	0	110.6	K169 D223 Y227 R228 Q229	K169-E225 IonicContact NZ-OE2 3.39Å; K169-E225 PolarHBondContact NZ-OE2 3.25Å; D223-E225 VanDerWaalsContact C-N 3.3Å; D223-E225 PolarHBondContact O-N 3.43Å; D223-E225 VanDerWaalsContact OD1-CB 3.32Å; D223-E225 WeakPolarHBondContact OD1-CB 3.17Å; D223-E225 PolarHBondContact OD1-N 3.43Å; E225-Y227 VanDerWaalsContact C-N 3.34Å; E225-Y227 PolarHBondContact O-N 3.1Å; E225-R228 PolarHBondContact O-N 2.81Å; E225-Q229 WeakPolarHBondContact O-CG 3.34Å; E225-Q229 PolarHBondContact O-N 3.26Å
226	L	86.3	Confident	86.4	Confident	1 Å²	1	47.1 Å²	47.1	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-63.3	-42	177.1	-172.4	62.3	0	0	0	111.2	C166 K169 F170 V219 D223 R228 Q229 L230 F241	C166-L226 HydrophobicContact CB-CD1 4.1Å; K169-L226 HydrophobicContact CB-CD2 4.33Å; F170-L226 HydrophobicContact CB-CD2 4.25Å; F170-L226 HydrophobicContact CD2-CD2 4.2Å; V219-L226 HydrophobicContact CG1-CB 4.45Å; V219-L226 HydrophobicContact CG1-CD2 4.08Å; V219-L226 HydrophobicContact CG1-CG 4.2Å; D223-L226 HydrophobicContact CB-CB 4.08Å; D223-L226 PolarHBondContact O-N 3.36Å; L226-R228 PolarHBondContact O-N 3.4Å; L226-Q229 PolarHBondContact O-N 2.99Å; L226-L230 WeakPolarHBondContact O-CB 3.17Å; L226-L230 PolarHBondContact O-N 3.43Å; L226-F241 HydrophobicContact CD1-CE1 3.99Å; L226-F241 HydrophobicContact CD1-CZ 4.1Å; L226-F241 HydrophobicContact CD2-CE1 4.22Å; L226-F241 HydrophobicContact CD2-CZ 4.18Å; L226-F241 HydrophobicContact CG-CE1 4.34Å; L226-F241 HydrophobicContact CG-CZ 4.08Å
227	Y	87.9	Confident	86.8	Confident	21 Å²	21	47 Å²	47	8%	0.082	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-41	173.9	177	-101.9	0	0	0	112.8	C216 Q220 D223 E225 L230 I231 L270	C216-Y227 HydrophobicContact CB-CD2 4.26Å; C216-Y227 HydrophobicContact CB-CE2 3.83Å; C216-Y227 WeakPolarHBondContact O-CD2 3.23Å; C216-Y227 WeakPolarHBondContact O-CE2 3.29Å; Q220-Y227 HydrophobicContact CB-CD1 4.15Å; Q220-Y227 HydrophobicContact CB-CD2 3.82Å; Q220-Y227 HydrophobicContact CB-CE1 4.48Å; Q220-Y227 HydrophobicContact CB-CE2 4.18Å; Q220-Y227 HydrophobicContact CB-CG 3.8Å; Q220-Y227 HydrophobicContact CG-CD1 3.89Å; Q220-Y227 HydrophobicContact CG-CD2 4.46Å; Q220-Y227 HydrophobicContact CG-CE1 4.15Å; Q220-Y227 HydrophobicContact CG-CG 4.05Å; D223-Y227 PolarHBondContact O-N 3.49Å; D223-Y227 VanDerWaalsContact O-N 3.16Å; E225-Y227 VanDerWaalsContact C-N 3.34Å; E225-Y227 PolarHBondContact O-N 3.1Å; Y227-L230 PolarHBondContact O-N 2.89Å; Y227-I231 HydrophobicContact CD1-CD1 4.08Å; Y227-I231 HydrophobicContact CE1-CD1 3.47Å; Y227-I231 VanDerWaalsContact CE1-CD1 3.47Å; Y227-I231 HydrophobicContact CE2-CD1 4Å; Y227-I231 VanDerWaalsContact CZ-CD1 3.42Å; Y227-I231 PolarHBondContact O-N 3.36Å; Y227-I231 VanDerWaalsContact O-N 3.14Å; Y227-L270 VanDerWaalsContact OH-CB 3.28Å; Y227-L270 WeakPolarHBondContact OH-CB 3.33Å; Y227-L270 WeakPolarHBondContact OH-CG 3.39Å; Y227-L270 PolarHBondContact OH-N 2.59Å; Y227-L270 VanDerWaalsContact OH-N 3.07Å
228	R	88.4	Confident	87.2	Confident	103 Å²	103	41.9 Å²	41.9	39%	0.389	21%	0.214	S	C	.	.	H	α-helix	trans	-62.1	-45.6	173.9	-174.4	-171.8	66.1	85.6	-4.7	111.5	D160 A224 E225 L226 L230 I231 C232	D160-R228 IonicContact OD1-NH2 3.93Å; D160-R228 IonicContact OD2-CZ 3.79Å; D160-R228 IonicContact OD2-NH1 3.41Å; D160-R228 PolarHBondContact OD2-NH1 3.24Å; D160-R228 IonicContact OD2-NH2 2.8Å; D160-R228 PolarHBondContact OD2-NH2 2.83Å; A224-R228 PolarHBondContact O-N 2.91Å; E225-R228 PolarHBondContact O-N 2.81Å; L226-R228 PolarHBondContact O-N 3.4Å; R228-L230 VanDerWaalsContact C-N 3.34Å; R228-L230 PolarHBondContact O-N 3.46Å; R228-I231 PolarHBondContact O-N 3.05Å; R228-C232 PolarHBondContact O-N 3.37Å
229	Q	88.2	Confident	87.5	Confident	9 Å²	9	44 Å²	44	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-62	-41.4	178.4	-72.3	174.3	-24	0	0	111.5	V161 C166 E225 L226 I231 C232 Y233 V237	V161-Q229 HydrophobicContact CG2-CB 4.32Å; V161-Q229 HydrophobicContact CG2-CG 4.14Å; C166-Q229 PolarHBondContact SG-OE1 2.83Å; E225-Q229 WeakPolarHBondContact O-CG 3.34Å; E225-Q229 PolarHBondContact O-N 3.26Å; L226-Q229 PolarHBondContact O-N 2.99Å; Q229-I231 PolarHBondContact O-N 3.28Å; Q229-C232 PolarHBondContact O-N 3.49Å; Q229-Y233 WeakPolarHBondContact O-CA 3.13Å; Q229-Y233 PolarHBondContact O-N 2.84Å; Q229-V237 HydrophobicContact CB-CG2 4.26Å
230	L	88.8	Confident	87.7	Confident	2 Å²	2	44.2 Å²	44.2	1%	0.01	23%	0.231	C	C	.	.	H	α-helix	trans	-60.9	-39.8	175.9	179.8	63	0	0	0	113	L226 Y227 R228 P234 V237 I238 F241 P266 L286	L226-L230 WeakPolarHBondContact O-CB 3.17Å; L226-L230 PolarHBondContact O-N 3.43Å; Y227-L230 PolarHBondContact O-N 2.89Å; R228-L230 VanDerWaalsContact C-N 3.34Å; R228-L230 PolarHBondContact O-N 3.46Å; L230-P234 WeakPolarHBondContact O-CA 3.32Å; L230-P234 WeakPolarHBondContact O-CB 3.36Å; L230-P234 WeakPolarHBondContact O-CD 3.4Å; L230-V237 HydrophobicContact CB-CG1 4.21Å; L230-V237 HydrophobicContact CD1-CB 4.25Å; L230-V237 HydrophobicContact CD1-CG1 3.84Å; L230-I238 HydrophobicContact CD1-CG1 4.17Å; L230-F241 HydrophobicContact CD1-CD2 4.5Å; L230-F241 HydrophobicContact CD1-CE2 3.84Å; L230-F241 HydrophobicContact CD2-CE2 4.11Å; L230-F241 HydrophobicContact CG-CE2 4.46Å; L230-P266 HydrophobicContact CD2-CB 4.27Å; L230-L286 HydrophobicContact CG-CD2 4.41Å
231	I	88.6	Confident	88.1	Confident	13 Å²	13	40.9 Å²	40.9	7%	0.067	22%	0.215	C	C	.	.	H	α-helix	trans	-72.2	-43.6	178.1	-70.1	174	0	0	0	111.9	Y227 R228 Q229 K271 Q285 L286	Y227-I231 HydrophobicContact CD1-CD1 4.08Å; Y227-I231 HydrophobicContact CE1-CD1 3.47Å; Y227-I231 VanDerWaalsContact CE1-CD1 3.47Å; Y227-I231 HydrophobicContact CE2-CD1 4Å; Y227-I231 VanDerWaalsContact CZ-CD1 3.42Å; Y227-I231 PolarHBondContact O-N 3.36Å; Y227-I231 VanDerWaalsContact O-N 3.14Å; R228-I231 PolarHBondContact O-N 3.05Å; Q229-I231 PolarHBondContact O-N 3.28Å; I231-K271 HydrophobicContact CG2-CD 4Å; I231-Q285 VanDerWaalsContact O-CA 3.31Å; I231-Q285 WeakPolarHBondContact O-CA 3.44Å; I231-Q285 WeakPolarHBondContact O-CB 3.25Å; I231-L286 PolarHBondContact O-N 3.46Å; I231-L286 VanDerWaalsContact O-N 3.11Å
232	C	88.1	Confident	88.4	Confident	42 Å²	42	38.2 Å²	38.2	28%	0.284	19%	0.194	S	C	.	.	H	α-helix	trans	-76.2	-35.3	-176.3	-69.4	0	0	0	0	113.2	R228 Q229 P234	R228-C232 PolarHBondContact O-N 3.37Å; Q229-C232 PolarHBondContact O-N 3.49Å; C232-P234 VanDerWaalsContact C-CD 3.49Å
233	Y	90.9	Very high	88.7	Confident	75 Å²	75	39.2 Å²	39.2	29%	0.294	20%	0.201	S	C	.	.			trans	-134.5	52.9	-172	-54.9	-62.5	0	0	0	112.6	T159 D160 V161 Q229 Q235 E236 V237	T159-Y233 HydrophobicContact CG2-CD1 3.38Å; T159-Y233 HydrophobicContact CG2-CD2 4.17Å; T159-Y233 HydrophobicContact CG2-CE1 3.44Å; T159-Y233 VanDerWaalsContact CG2-CE1 3.44Å; T159-Y233 HydrophobicContact CG2-CE2 4.22Å; T159-Y233 HydrophobicContact CG2-CG 3.76Å; D160-Y233 WeakPolarHBondContact OD1-CE2 3.22Å; V161-Y233 HydrophobicContact CG2-CD2 3.64Å; V161-Y233 HydrophobicContact CG2-CE2 4.36Å; V161-Y233 HydrophobicContact CG2-CG 4.28Å; Q229-Y233 WeakPolarHBondContact O-CA 3.13Å; Q229-Y233 PolarHBondContact O-N 2.84Å; Y233-Q235 PolarHBondContact O-N 2.83Å; Y233-Q235 VanDerWaalsContact O-N 3.1Å; Y233-E236 PolarHBondContact O-N 2.58Å; Y233-E236 VanDerWaalsContact O-N 3.15Å; Y233-V237 WeakPolarHBondContact O-CG2 3.37Å; Y233-V237 PolarHBondContact O-N 3.03Å; Y233-V237 VanDerWaalsContact O-N 3.14Å
234	P	90.2	Very high	88.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-58.3	-30.9	-175.7	23.6	-34	0	0	0	112.9	L230 C232 E236 V237 I238 D284 L286 I397	L230-P234 WeakPolarHBondContact O-CA 3.32Å; L230-P234 WeakPolarHBondContact O-CB 3.36Å; L230-P234 WeakPolarHBondContact O-CD 3.4Å; C232-P234 VanDerWaalsContact C-CD 3.49Å; P234-E236 VanDerWaalsContact C-N 3.29Å; P234-E236 PolarHBondContact O-N 3.03Å; P234-V237 PolarHBondContact O-N 3.35Å; P234-I238 HydrophobicContact CB-CD1 4.06Å; P234-I238 WeakPolarHBondContact O-CB 3.36Å; P234-I238 WeakPolarHBondContact O-CD1 3.13Å; P234-I238 VanDerWaalsContact O-CG1 3.23Å; P234-I238 WeakPolarHBondContact O-CG1 3.49Å; P234-I238 PolarHBondContact O-N 3.04Å; P234-D284 WeakPolarHBondContact CD-O 3.49Å; P234-D284 WeakPolarHBondContact CG-O 3.27Å; P234-L286 HydrophobicContact CB-CB 4.37Å; P234-L286 HydrophobicContact CB-CD1 4.41Å; P234-L286 HydrophobicContact CG-CB 4.33Å; P234-I397 HydrophobicContact CB-CD1 4.09Å; P234-I397 HydrophobicContact CB-CG1 4.23Å; P234-I397 HydrophobicContact CG-CD1 3.95Å; P234-I397 HydrophobicContact CG-CG1 3.88Å
235	Q	88.1	Confident	89	Confident	79 Å²	79	34.5 Å²	34.5	37%	0.369	17%	0.167	S	C	.	.	H	α-helix	trans	-67.7	-25.1	-177.3	-62	176.2	64	0	0	113.8	Y233 P239 D284 I397 R399	Y233-Q235 PolarHBondContact O-N 2.83Å; Y233-Q235 VanDerWaalsContact O-N 3.1Å; Q235-P239 WeakPolarHBondContact O-CD 3.48Å; Q235-D284 PolarHBondContact NE2-OD1 2.86Å; Q235-I397 HydrophobicContact CG-CD1 3.73Å; Q235-R399 VanDerWaalsContact NE2-NH1 3.16Å
236	E	88.4	Confident	88.9	Confident	52 Å²	52	31.3 Å²	31.3	24%	0.243	15%	0.152	C	C	.	.	H	α-helix	trans	-99.1	-34	177.4	-63.2	-179.7	178.6	0	0	111.2	I156 T159 Y233 P234 T240	I156-E236 HydrophobicContact CD1-CB 4.05Å; I156-E236 HydrophobicContact CD1-CG 4.05Å; I156-E236 VanDerWaalsContact CD1-OE2 3.32Å; I156-E236 WeakPolarHBondContact CD1-OE2 3.43Å; I156-E236 VanDerWaalsContact CG2-OE1 3.25Å; I156-E236 WeakPolarHBondContact CG2-OE1 3.41Å; T159-E236 WeakPolarHBondContact CB-OE2 3.24Å; T159-E236 WeakPolarHBondContact CG2-OE1 3.36Å; T159-E236 WeakPolarHBondContact CG2-OE2 3.37Å; T159-E236 PolarHBondContact OG1-OE2 3.4Å; Y233-E236 PolarHBondContact O-N 2.58Å; Y233-E236 VanDerWaalsContact O-N 3.15Å; P234-E236 VanDerWaalsContact C-N 3.29Å; P234-E236 PolarHBondContact O-N 3.03Å; E236-T240 PolarHBondContact O-OG1 3.21Å
237	V	90.1	Very high	88.9	Confident	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-77.5	-38.7	-176.6	179	0	0	0	0	112.4	V161 Q229 L230 Y233 P234 T240 F241	V161-V237 HydrophobicContact CG1-CG2 4.34Å; Q229-V237 HydrophobicContact CB-CG2 4.26Å; L230-V237 HydrophobicContact CB-CG1 4.21Å; L230-V237 HydrophobicContact CD1-CB 4.25Å; L230-V237 HydrophobicContact CD1-CG1 3.84Å; Y233-V237 WeakPolarHBondContact O-CG2 3.37Å; Y233-V237 PolarHBondContact O-N 3.03Å; Y233-V237 VanDerWaalsContact O-N 3.14Å; P234-V237 PolarHBondContact O-N 3.35Å; V237-T240 WeakPolarHBondContact O-CA 3.36Å; V237-T240 VanDerWaalsContact O-CB 3.32Å; V237-T240 WeakPolarHBondContact O-CB 3.47Å; V237-T240 PolarHBondContact O-N 3.16Å; V237-T240 VanDerWaalsContact O-N 3.13Å; V237-F241 HydrophobicContact CG1-CD1 4.16Å; V237-F241 HydrophobicContact CG1-CD2 4.29Å; V237-F241 HydrophobicContact CG1-CE1 3.61Å; V237-F241 HydrophobicContact CG1-CE2 3.76Å; V237-F241 HydrophobicContact CG1-CG 4.48Å; V237-F241 HydrophobicContact CG1-CZ 3.38Å; V237-F241 PolarHBondContact O-N 3.29Å
238	I	90.6	Very high	88.7	Confident	24 Å²	24	34.2 Å²	34.2	12%	0.123	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-50.3	-179.5	-67.3	166.8	0	0	0	111.9	L230 P234 T240 F241 D242 P266 I423	L230-I238 HydrophobicContact CD1-CG1 4.17Å; P234-I238 HydrophobicContact CB-CD1 4.06Å; P234-I238 WeakPolarHBondContact O-CB 3.36Å; P234-I238 WeakPolarHBondContact O-CD1 3.13Å; P234-I238 VanDerWaalsContact O-CG1 3.23Å; P234-I238 WeakPolarHBondContact O-CG1 3.49Å; P234-I238 PolarHBondContact O-N 3.04Å; I238-T240 PolarHBondContact O-N 3.27Å; I238-F241 WeakPolarHBondContact O-CA 3.42Å; I238-F241 WeakPolarHBondContact O-CB 3.4Å; I238-F241 PolarHBondContact O-N 3.03Å; I238-D242 PolarHBondContact O-N 3.02Å; I238-P266 HydrophobicContact CD1-CG 3.94Å; I238-P266 HydrophobicContact CG1-CG 4.12Å; I238-I423 HydrophobicContact CD1-CD1 3.61Å; I238-I423 HydrophobicContact CD1-CG1 4.46Å
239	P	90.6	Very high	88.4	Confident	63 Å²	63	29.7 Å²	29.7	41%	0.409	15%	0.15	S	C	.	.	H	α-helix	trans	-59.6	-30.9	174.3	-25	35.3	0	0	0	113.5	Q235 F241 D242 M243	Q235-P239 WeakPolarHBondContact O-CD 3.48Å; P239-F241 VanDerWaalsContact C-N 3.32Å; P239-D242 PolarHBondContact O-N 2.85Å; P239-M243 VanDerWaalsContact O-CG 3.3Å; P239-M243 WeakPolarHBondContact O-CG 3.45Å; P239-M243 PolarHBondContact O-N 3.41Å
240	T	89.7	Confident	88.1	Confident	7 Å²	7	35.5 Å²	35.5	4%	0.043	18%	0.176	C	C	.	.	H	α-helix	trans	-67.2	-34.2	174.7	-56.1	0	0	0	0	111.6	V163 C166 K167 E236 V237 I238 A244	V163-T240 HydrophobicContact CG1-CG2 3.86Å; C166-T240 HydrophobicContact CB-CG2 4.23Å; K167-T240 HydrophobicContact CB-CG2 3.91Å; E236-T240 PolarHBondContact O-OG1 3.21Å; V237-T240 WeakPolarHBondContact O-CA 3.36Å; V237-T240 VanDerWaalsContact O-CB 3.32Å; V237-T240 WeakPolarHBondContact O-CB 3.47Å; V237-T240 PolarHBondContact O-N 3.16Å; V237-T240 VanDerWaalsContact O-N 3.13Å; I238-T240 PolarHBondContact O-N 3.27Å; T240-A244 WeakPolarHBondContact O-CB 3.44Å; T240-A244 PolarHBondContact O-N 2.84Å; T240-A244 VanDerWaalsContact O-N 3.11Å
241	F	89.9	Confident	87.8	Confident	2 Å²	2	42.2 Å²	42.2	1%	0.009	21%	0.207	C	C	.	.	H	α-helix	trans	-72.3	-41.4	172.9	-66.1	-11.6	0	0	0	112	F170 L226 L230 V237 I238 P239 M243 A244 V245 V264	F170-F241 HydrophobicContact CB-CD1 3.87Å; F170-F241 HydrophobicContact CB-CE1 3.77Å; F170-F241 HydrophobicContact CD1-CB 4.02Å; F170-F241 AromaticContact CD1-CD1 3.59Å; F170-F241 HydrophobicContact CD1-CD1 3.59Å; F170-F241 HydrophobicContact CD1-CE1 4.21Å; F170-F241 AromaticContact CD1-CG 3.89Å; F170-F241 HydrophobicContact CD1-CG 3.89Å; F170-F241 AromaticContact CD2-CD1 3.72Å; F170-F241 HydrophobicContact CD2-CD1 3.72Å; F170-F241 HydrophobicContact CD2-CD2 4.33Å; F170-F241 AromaticContact CD2-CE1 3.51Å; F170-F241 HydrophobicContact CD2-CE1 3.51Å; F170-F241 HydrophobicContact CD2-CE2 4.14Å; F170-F241 HydrophobicContact CD2-CG 4.13Å; F170-F241 AromaticContact CD2-CZ 3.73Å; F170-F241 HydrophobicContact CD2-CZ 3.73Å; F170-F241 HydrophobicContact CE1-CB 3.65Å; F170-F241 AromaticContact CE1-CD1 3.97Å; F170-F241 HydrophobicContact CE1-CD1 3.97Å; F170-F241 HydrophobicContact CE1-CD2 4.35Å; F170-F241 AromaticContact CE1-CG 3.76Å; F170-F241 HydrophobicContact CE1-CG 3.76Å; F170-F241 HydrophobicContact CE2-CD1 4.12Å; F170-F241 AromaticContact CE2-CD2 3.95Å; F170-F241 HydrophobicContact CE2-CD2 3.95Å; F170-F241 HydrophobicContact CE2-CE1 4.12Å; F170-F241 AromaticContact CE2-CE2 3.94Å; F170-F241 HydrophobicContact CE2-CE2 3.94Å; F170-F241 HydrophobicContact CE2-CG 4.04Å; F170-F241 HydrophobicContact CE2-CZ 4.02Å; F170-F241 AromaticContact CG-CD1 3.44Å; F170-F241 HydrophobicContact CG-CD1 3.44Å; F170-F241 VanDerWaalsContact CG-CD1 3.44Å; F170-F241 AromaticContact CG-CE1 3.56Å; F170-F241 HydrophobicContact CG-CE1 3.56Å; F170-F241 HydrophobicContact CG-CG 4.06Å; F170-F241 HydrophobicContact CG-CZ 4.26Å; F170-F241 HydrophobicContact CZ-CB 4.05Å; F170-F241 HydrophobicContact CZ-CD1 4.23Å; F170-F241 AromaticContact CZ-CD2 3.96Å; F170-F241 HydrophobicContact CZ-CD2 3.96Å; F170-F241 HydrophobicContact CZ-CE2 4.41Å; F170-F241 AromaticContact CZ-CG 3.85Å; F170-F241 HydrophobicContact CZ-CG 3.85Å; L226-F241 HydrophobicContact CD1-CE1 3.99Å; L226-F241 HydrophobicContact CD1-CZ 4.1Å; L226-F241 HydrophobicContact CD2-CE1 4.22Å; L226-F241 HydrophobicContact CD2-CZ 4.18Å; L226-F241 HydrophobicContact CG-CE1 4.34Å; L226-F241 HydrophobicContact CG-CZ 4.08Å; L230-F241 HydrophobicContact CD1-CD2 4.5Å; L230-F241 HydrophobicContact CD1-CE2 3.84Å; L230-F241 HydrophobicContact CD2-CE2 4.11Å; L230-F241 HydrophobicContact CG-CE2 4.46Å; V237-F241 HydrophobicContact CG1-CD1 4.16Å; V237-F241 HydrophobicContact CG1-CD2 4.29Å; V237-F241 HydrophobicContact CG1-CE1 3.61Å; V237-F241 HydrophobicContact CG1-CE2 3.76Å; V237-F241 HydrophobicContact CG1-CG 4.48Å; V237-F241 HydrophobicContact CG1-CZ 3.38Å; V237-F241 PolarHBondContact O-N 3.29Å; I238-F241 WeakPolarHBondContact O-CA 3.42Å; I238-F241 WeakPolarHBondContact O-CB 3.4Å; I238-F241 PolarHBondContact O-N 3.03Å; P239-F241 VanDerWaalsContact C-N 3.32Å; F241-M243 VanDerWaalsContact C-N 3.32Å; F241-M243 PolarHBondContact O-N 3.18Å; F241-A244 WeakPolarHBondContact O-CB 3.41Å; F241-A244 PolarHBondContact O-N 3.48Å; F241-A244 VanDerWaalsContact O-N 3.12Å; F241-V245 WeakPolarHBondContact O-CG2 3.44Å; F241-V245 PolarHBondContact O-N 3Å; F241-V264 HydrophobicContact CB-CB 4.14Å; F241-V264 HydrophobicContact CB-CG1 4.17Å; F241-V264 HydrophobicContact CB-CG2 4Å; F241-V264 HydrophobicContact CD2-CG1 4.26Å
242	D	90.1	Very high	87.2	Confident	34 Å²	34	47.6 Å²	47.6	18%	0.182	23%	0.226	C	C	.	.	H	α-helix	trans	-57.1	-47.2	173.9	-58.4	-32.5	0	0	0	110.2	I238 P239 A244 V245 N246 V264	I238-D242 PolarHBondContact O-N 3.02Å; P239-D242 PolarHBondContact O-N 2.85Å; D242-A244 VanDerWaalsContact C-N 3.35Å; D242-A244 PolarHBondContact O-N 3.42Å; D242-V245 PolarHBondContact O-N 3.48Å; D242-N246 WeakPolarHBondContact O-CB 3.39Å; D242-N246 PolarHBondContact O-N 3.09Å; D242-N246 PolarHBondContact O-ND2 2.88Å; D242-V264 WeakPolarHBondContact OD1-CB 3.38Å; D242-V264 PolarHBondContact OD1-N 3.43Å
243	M	88.3	Confident	86.6	Confident	106 Å²	106	47.9 Å²	47.9	52%	0.522	22%	0.223	S	C	.	.	H	α-helix	trans	-59.6	-41.5	174.6	-69.8	178.8	77.9	0	0	113	P239 F241 E247	P239-M243 VanDerWaalsContact O-CG 3.3Å; P239-M243 WeakPolarHBondContact O-CG 3.45Å; P239-M243 PolarHBondContact O-N 3.41Å; F241-M243 VanDerWaalsContact C-N 3.32Å; F241-M243 PolarHBondContact O-N 3.18Å; M243-E247 PolarHBondContact O-N 2.97Å
244	A	89.1	Confident	85.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-40.4	179	0	0	0	0	0	112.9	K167 F170 Q171 T240 F241 D242 L248	K167-A244 HydrophobicContact CG-CB 3.96Å; F170-A244 HydrophobicContact CD1-CB 3.78Å; Q171-A244 HydrophobicContact CG-CB 3.99Å; T240-A244 WeakPolarHBondContact O-CB 3.44Å; T240-A244 PolarHBondContact O-N 2.84Å; T240-A244 VanDerWaalsContact O-N 3.11Å; F241-A244 WeakPolarHBondContact O-CB 3.41Å; F241-A244 PolarHBondContact O-N 3.48Å; F241-A244 VanDerWaalsContact O-N 3.12Å; D242-A244 VanDerWaalsContact C-N 3.35Å; D242-A244 PolarHBondContact O-N 3.42Å; A244-L248 WeakPolarHBondContact O-CG 3.03Å; A244-L248 PolarHBondContact O-N 3.29Å
245	V	88.4	Confident	84.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-71.3	-45.7	178.8	173	0	0	0	0	111.2	F170 L174 L201 L212 F241 D242 E247 L248 F249 I262 V264	F170-V245 HydrophobicContact CE1-CG2 3.92Å; L174-V245 HydrophobicContact CD1-CG2 3.83Å; L201-V245 HydrophobicContact CD2-CG1 3.76Å; L212-V245 HydrophobicContact CD2-CG1 4.26Å; L212-V245 HydrophobicContact CD2-CG2 3.78Å; F241-V245 WeakPolarHBondContact O-CG2 3.44Å; F241-V245 PolarHBondContact O-N 3Å; D242-V245 PolarHBondContact O-N 3.48Å; V245-E247 VanDerWaalsContact C-N 3.27Å; V245-E247 PolarHBondContact O-N 3.31Å; V245-L248 PolarHBondContact O-N 3.33Å; V245-F249 WeakPolarHBondContact O-CB 3.49Å; V245-F249 PolarHBondContact O-N 3.06Å; V245-I262 HydrophobicContact CG1-CB 4Å; V245-I262 HydrophobicContact CG1-CD1 4.03Å; V245-I262 HydrophobicContact CG1-CG2 3.67Å; V245-V264 HydrophobicContact CB-CG2 4.34Å; V245-V264 HydrophobicContact CG2-CG2 3.65Å
246	N	86.5	Confident	83.7	Confident	24 Å²	24	54.5 Å²	54.5	13%	0.128	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-38.4	179.1	-73.8	-65	0	0	0	111.3	D242 F249 F250 I262	D242-N246 WeakPolarHBondContact O-CB 3.39Å; D242-N246 PolarHBondContact O-N 3.09Å; D242-N246 PolarHBondContact O-ND2 2.88Å; N246-F249 PolarHBondContact O-N 2.97Å; N246-F250 WeakPolarHBondContact O-CD2 3.49Å; N246-F250 PolarHBondContact O-N 3.19Å; N246-I262 PolarHBondContact ND2-O 3.33Å; N246-I262 PolarHBondContact OD1-N 3.36Å
247	E	86.6	Confident	82.7	Confident	75 Å²	75	58 Å²	58	35%	0.35	30%	0.299	S	S	.	.	H	α-helix	trans	-65.5	-46.2	173.7	-78.2	-179.6	-169.2	0	0	113.6	K167 Q171 M243 V245 F249 F250 E251	K167-E247 VanDerWaalsContact CE-CD 3.45Å; K167-E247 WeakPolarHBondContact CE-OE1 3.46Å; K167-E247 WeakPolarHBondContact CE-OE2 3.24Å; K167-E247 IonicContact NZ-OE1 2.64Å; K167-E247 PolarHBondContact NZ-OE1 3.08Å; K167-E247 IonicContact NZ-OE2 2.69Å; K167-E247 PolarHBondContact NZ-OE2 3.33Å; Q171-E247 PolarHBondContact NE2-OE2 2.94Å; M243-E247 PolarHBondContact O-N 2.97Å; V245-E247 VanDerWaalsContact C-N 3.27Å; V245-E247 PolarHBondContact O-N 3.31Å; E247-F249 PolarHBondContact O-N 2.79Å; E247-F250 PolarHBondContact O-N 2.89Å; E247-E251 WeakPolarHBondContact O-CG 3.32Å; E247-E251 PolarHBondContact O-N 2.94Å
248	L	83.3	Confident	81.4	Confident	9 Å²	9	60.4 Å²	60.4	5%	0.047	31%	0.312	C	S	.	.	H	α-helix	trans	-61	-35.1	176	-74	171.9	0	0	0	112.1	Q171 L174 Q175 M198 A244 V245 E251 R252	Q171-L248 HydrophobicContact CB-CD1 4.31Å; Q171-L248 HydrophobicContact CG-CD1 4.07Å; Q171-L248 HydrophobicContact CG-CD2 4.47Å; Q171-L248 HydrophobicContact CG-CG 4.14Å; L174-L248 HydrophobicContact CB-CD1 3.95Å; L174-L248 HydrophobicContact CD1-CD1 3.51Å; L174-L248 HydrophobicContact CG-CD1 4.38Å; Q175-L248 HydrophobicContact CG-CD2 4.37Å; M198-L248 HydrophobicContact CE-CD1 4.46Å; A244-L248 WeakPolarHBondContact O-CG 3.03Å; A244-L248 PolarHBondContact O-N 3.29Å; V245-L248 PolarHBondContact O-N 3.33Å; L248-E251 PolarHBondContact O-N 3.4Å; L248-R252 PolarHBondContact O-N 3.09Å; L248-R252 VanDerWaalsContact O-N 3.14Å
249	F	82.3	Confident	80.2	Confident	7 Å²	7	67.7 Å²	67.7	3%	0.031	35%	0.345	C	S	.	.	H	α-helix	trans	-64.8	-47.6	174.9	-173.9	-94.3	0	0	0	111.4	V245 N246 E247 E251 R252 F253 S256 L258 I262	V245-F249 WeakPolarHBondContact O-CB 3.49Å; V245-F249 PolarHBondContact O-N 3.06Å; N246-F249 PolarHBondContact O-N 2.97Å; E247-F249 PolarHBondContact O-N 2.79Å; F249-E251 VanDerWaalsContact C-N 3.33Å; F249-E251 PolarHBondContact O-N 3.42Å; F249-R252 PolarHBondContact O-N 3.3Å; F249-F253 HydrophobicContact CD2-CD2 4.16Å; F249-F253 HydrophobicContact CE2-CD2 4.01Å; F249-F253 PolarHBondContact O-N 3.01Å; F249-S256 WeakPolarHBondContact CE1-O 3.47Å; F249-S256 WeakPolarHBondContact CZ-OG 3.22Å; F249-L258 HydrophobicContact CD1-CD1 4.42Å; F249-L258 HydrophobicContact CE1-CD1 3.71Å; F249-L258 HydrophobicContact CE1-CG 3.91Å; F249-L258 HydrophobicContact CE2-CD1 4.01Å; F249-L258 HydrophobicContact CZ-CD1 3.48Å; F249-L258 VanDerWaalsContact CZ-CD1 3.48Å; F249-L258 HydrophobicContact CZ-CG 3.78Å; F249-I262 HydrophobicContact CB-CD1 3.92Å; F249-I262 HydrophobicContact CD1-CD1 4.35Å; F249-I262 HydrophobicContact CD2-CD1 3.59Å; F249-I262 HydrophobicContact CE2-CD1 4.18Å; F249-I262 HydrophobicContact CG-CD1 3.68Å
250	F	81.8	Confident	79.2	Confident	132 Å²	132	72.7 Å²	72.7	58%	0.579	36%	0.357	S	S	*	.	H	α-helix	trans	-64.5	-32.1	175.2	-76	-59.3	0	0	0	113.6	N246 E247	N246-F250 WeakPolarHBondContact O-CD2 3.49Å; N246-F250 PolarHBondContact O-N 3.19Å; E247-F250 PolarHBondContact O-N 2.89Å
251	E	82	Confident	78.7	Confident	142 Å²	142	79.6 Å²	79.6	66%	0.664	39%	0.389	S	S	*	.	H	α-helix	trans	-67.5	-37	174.3	-76.2	-176	170.4	0	0	112.7	E247 L248 F249	E247-E251 WeakPolarHBondContact O-CG 3.32Å; E247-E251 PolarHBondContact O-N 2.94Å; L248-E251 PolarHBondContact O-N 3.4Å; F249-E251 VanDerWaalsContact C-N 3.33Å; F249-E251 PolarHBondContact O-N 3.42Å
252	R	75.6	Confident	78.4	Confident	127 Å²	127	79.5 Å²	79.5	48%	0.479	39%	0.388	S	S	.	.	H	α-helix	trans	-87.5	-39.4	-176.8	-176.4	64	164.9	-130.3	-1.9	113.1	E202 L248 F249	E202-R252 IonicContact OE1-CZ 3.93Å; E202-R252 VanDerWaalsContact OE1-CZ 3.26Å; E202-R252 IonicContact OE1-NE 3.93Å; E202-R252 PolarHBondContact OE1-NE 3.06Å; E202-R252 VanDerWaalsContact OE1-NE 3.17Å; E202-R252 IonicContact OE1-NH2 3.74Å; E202-R252 PolarHBondContact OE1-NH2 2.99Å; L248-R252 PolarHBondContact O-N 3.09Å; L248-R252 VanDerWaalsContact O-N 3.14Å; F249-R252 PolarHBondContact O-N 3.3Å
253	F	75.6	Confident	78.2	Confident	47 Å²	47	82 Å²	82	21%	0.206	40%	0.399	C	S	.	.			trans	-127.6	78.1	-173.6	-58.5	-69.8	0	0	0	112.1	E202 F249 D255 S256	E202-F253 HydrophobicContact CB-CZ 4.3Å; E202-F253 HydrophobicContact CG-CE2 4.36Å; E202-F253 HydrophobicContact CG-CZ 3.91Å; F249-F253 HydrophobicContact CD2-CD2 4.16Å; F249-F253 HydrophobicContact CE2-CD2 4.01Å; F249-F253 PolarHBondContact O-N 3.01Å; F253-D255 PolarHBondContact O-N 3.31Å; F253-S256 VanDerWaalsContact CB-OG 3.22Å; F253-S256 WeakPolarHBondContact CB-OG 3.36Å
254	P	75.4	Confident	78.2	Confident	97 Å²	97	77.1 Å²	77.1	63%	0.63	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-19.5	175.7	27.9	-35.6	0	0	0	113.6
255	D	67.1	Low	78.1	Confident	159 Å²	159	78.1 Å²	78.1	85%	0.85	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-19.3	-174.4	-64.6	-34.8	0	0	0	114.1	F253	F253-D255 PolarHBondContact O-N 3.31Å
256	S	67.3	Low	78.1	Confident	38 Å²	38	78.2 Å²	78.2	27%	0.266	38%	0.379	S	S	.	.			trans	-99.8	97.4	-179.8	61.7	0	0	0	0	111.5	F249 F253 L258	F249-S256 WeakPolarHBondContact CE1-O 3.47Å; F249-S256 WeakPolarHBondContact CZ-OG 3.22Å; F253-S256 VanDerWaalsContact CB-OG 3.22Å; F253-S256 WeakPolarHBondContact CB-OG 3.36Å; S256-L258 PolarHBondContact O-N 3.35Å
257	V	66.1	Low	78	Confident	126 Å²	126	78.9 Å²	78.9	76%	0.764	38%	0.38	S	S	*	.			trans	-84.7	105.4	174.5	-176.3	0	0	0	0	109.6
258	L	63.8	Low	77.4	Confident	50 Å²	50	77 Å²	77	26%	0.262	37%	0.372	S	S	.	.			trans	-75.1	134.7	168.6	-64.9	174.4	0	0	0	110	F249 S256 Y260 I262	F249-L258 HydrophobicContact CD1-CD1 4.42Å; F249-L258 HydrophobicContact CE1-CD1 3.71Å; F249-L258 HydrophobicContact CE1-CG 3.91Å; F249-L258 HydrophobicContact CE2-CD1 4.01Å; F249-L258 HydrophobicContact CZ-CD1 3.48Å; F249-L258 VanDerWaalsContact CZ-CD1 3.48Å; F249-L258 HydrophobicContact CZ-CG 3.78Å; S256-L258 PolarHBondContact O-N 3.35Å; L258-Y260 PolarHBondContact O-N 3.44Å; L258-I262 HydrophobicContact CD1-CD1 4.09Å; L258-I262 HydrophobicContact CD1-CG1 3.94Å
259	E	64.8	Low	76.8	Confident	176 Å²	176	76.5 Å²	76.5	82%	0.822	37%	0.37	S	S	*	.	S	Bend	trans	-71.3	-19.9	175.7	-63.2	-170.3	157.9	0	0	112.8
260	Y	70.7	Confident	75.8	Confident	168 Å²	168	80.6 Å²	80.6	66%	0.659	39%	0.392	S	S	*	.	S	Bend	trans	-122.8	140.5	-177.6	-61.2	-78	0	0	0	110.9	L258	L258-Y260 PolarHBondContact O-N 3.44Å
261	Q	77.9	Confident	74.8	Confident	152 Å²	152	77.6 Å²	77.6	71%	0.71	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-67.9	141.6	176.2	-67.2	175.5	-6	0	0	110.9	Q263	Q261-Q263 PolarHBondContact O-N 2.95Å
262	I	83.8	Confident	74	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-69	128.7	177.4	-58	171	0	0	0	109.3	L201 I204 P210 L212 V245 N246 F249 L258	L201-I262 HydrophobicContact CD2-CD1 4.36Å; I204-I262 HydrophobicContact CG2-CD1 4.49Å; P210-I262 HydrophobicContact CB-CG1 4.48Å; P210-I262 WeakPolarHBondContact O-CA 3.17Å; L212-I262 HydrophobicContact CB-CG2 4.13Å; V245-I262 HydrophobicContact CG1-CB 4Å; V245-I262 HydrophobicContact CG1-CD1 4.03Å; V245-I262 HydrophobicContact CG1-CG2 3.67Å; N246-I262 PolarHBondContact ND2-O 3.33Å; N246-I262 PolarHBondContact OD1-N 3.36Å; F249-I262 HydrophobicContact CB-CD1 3.92Å; F249-I262 HydrophobicContact CD1-CD1 4.35Å; F249-I262 HydrophobicContact CD2-CD1 3.59Å; F249-I262 HydrophobicContact CE2-CD1 4.18Å; F249-I262 HydrophobicContact CG-CD1 3.68Å; L258-I262 HydrophobicContact CD1-CD1 4.09Å; L258-I262 HydrophobicContact CD1-CG1 3.94Å
263	Q	86	Confident	73.9	Confident	86 Å²	86	72.1 Å²	72.1	40%	0.402	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.1	177.9	-66.3	178	5.9	0	0	111.2	P210 L212 Q261	P210-Q263 PolarHBondContact O-N 2.71Å; L212-Q263 PolarHBondContact N-O 3.05Å; Q261-Q263 PolarHBondContact O-N 2.95Å
264	V	88.3	Confident	74.1	Confident	4 Å²	4	72.7 Å²	72.7	2%	0.024	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	120.8	175.3	-178.5	0	0	0	0	110.3	F170 L212 V214 F241 D242 V245 P266	F170-V264 HydrophobicContact CZ-CG1 4.43Å; L212-V264 HydrophobicContact CD2-CG2 4.5Å; L212-V264 WeakPolarHBondContact O-CA 3.35Å; V214-V264 HydrophobicContact CB-CG1 4.27Å; V214-V264 HydrophobicContact CG2-CG1 3.77Å; F241-V264 HydrophobicContact CB-CB 4.14Å; F241-V264 HydrophobicContact CB-CG1 4.17Å; F241-V264 HydrophobicContact CB-CG2 4Å; F241-V264 HydrophobicContact CD2-CG1 4.26Å; D242-V264 WeakPolarHBondContact OD1-CB 3.38Å; D242-V264 PolarHBondContact OD1-N 3.43Å; V245-V264 HydrophobicContact CB-CG2 4.34Å; V245-V264 HydrophobicContact CG2-CG2 3.65Å; V264-P266 WeakPolarHBondContact O-CD 3.34Å
265	R	87.6	Confident	74.4	Confident	22 Å²	22	68.7 Å²	68.7	8%	0.083	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	90.4	177.9	-68.4	-171.3	-174.9	163.9	4.5	110.6	V211 L212 N213 V214 Y267 D381 H424	V211-R265 HydrophobicContact CG1-CG 4.03Å; L212-R265 PolarHBondContact O-N 3.01Å; N213-R265 WeakPolarHBondContact OD1-CB 3.32Å; V214-R265 PolarHBondContact N-O 3.28Å; R265-Y267 PolarHBondContact O-N 3.26Å; R265-D381 IonicContact CZ-OD2 3.19Å; R265-D381 IonicContact NH1-OD2 3.5Å; R265-D381 PolarHBondContact NH1-OD2 3.06Å; R265-D381 IonicContact NH2-OD2 3.67Å; R265-D381 PolarHBondContact NH2-OD2 2.85Å; R265-H424 HydrophobicContact CB-CB 4.35Å
266	P	87.7	Confident	75.2	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	127.9	171	25.6	-34.4	0	0	0	111.1	V214 C216 L230 I238 V264 L286 T395 I423	V214-P266 CarbonylContact O-C 3.52Å; V214-P266 VanDerWaalsContact O-CA 3.29Å; V214-P266 WeakPolarHBondContact O-CA 3.34Å; C216-P266 VanDerWaalsContact SG-CB 3.57Å; L230-P266 HydrophobicContact CD2-CB 4.27Å; I238-P266 HydrophobicContact CD1-CG 3.94Å; I238-P266 HydrophobicContact CG1-CG 4.12Å; V264-P266 WeakPolarHBondContact O-CD 3.34Å; P266-L286 HydrophobicContact CB-CD2 4.46Å; P266-T395 WeakPolarHBondContact O-CG2 3.33Å; P266-I423 HydrophobicContact CG-CG2 4.1Å
267	Y	83.9	Confident	76	Confident	38 Å²	38	64.6 Å²	64.6	15%	0.149	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	160.6	175.9	70.8	-85.6	0	0	0	112.1	N213 V214 N215 C216 R265 H424	N213-Y267 HydrophobicContact CB-CD1 4.15Å; N213-Y267 HydrophobicContact CB-CE1 3.84Å; V214-Y267 VanDerWaalsContact C-CD1 3.43Å; V214-Y267 VanDerWaalsContact O-CD1 3.29Å; V214-Y267 WeakPolarHBondContact O-CD1 3.39Å; V214-Y267 PolarHBondContact O-N 2.99Å; N215-Y267 HydrophobicContact CB-CE1 4.1Å; N215-Y267 HydrophobicContact CB-CE2 4.07Å; N215-Y267 VanDerWaalsContact N-CE1 3.33Å; C216-Y267 WeakPolarHBondContact CB-O 3.31Å; C216-Y267 PolarHBondContact N-O 3.42Å; C216-Y267 PolarHBondContact SG-O 2.86Å; R265-Y267 PolarHBondContact O-N 3.26Å; Y267-H424 WeakPolarHBondContact CB-CD2 3.44Å
268	N	75.4	Confident	76.9	Confident	35 Å²	35	59.9 Å²	59.9	19%	0.187	28%	0.283	C	S	.	.			trans	62.4	55.9	174.7	-175.1	30.7	0	0	0	114.2	N215 R217	N215-N268 PolarHBondContact OD1-ND2 3.07Å; R217-N268 WeakPolarHBondContact CD-ND2 3.34Å; R217-N268 PolarHBondContact NE-ND2 3.26Å; R217-N268 PolarHBondContact NE-OD1 3.25Å; R217-N268 PolarHBondContact NH2-OD1 2.87Å
269	A	70.1	Confident	78.1	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.288	C	S	.	.			trans	-68.2	142.4	164.9	0	0	0	0	0	111.1	K271 L286 T288	A269-K271 PolarHBondContact O-N 3.31Å; A269-L286 HydrophobicContact CB-CD2 4.42Å; A269-T288 HydrophobicContact CB-CG2 4.08Å; A269-T288 PolarHBondContact O-OG1 2.93Å
270	L	61	Low	79.2	Confident	92 Å²	92	57.5 Å²	57.5	48%	0.482	28%	0.283	S	S	.	.	S	Bend	trans	-67.3	-17.5	178	-67	178.6	0	0	0	114	Y227 T272	Y227-L270 VanDerWaalsContact OH-CB 3.28Å; Y227-L270 WeakPolarHBondContact OH-CB 3.33Å; Y227-L270 WeakPolarHBondContact OH-CG 3.39Å; Y227-L270 PolarHBondContact OH-N 2.59Å; Y227-L270 VanDerWaalsContact OH-N 3.07Å; L270-T272 PolarHBondContact O-N 2.89Å
271	K	60.1	Low	80	Confident	70 Å²	70	55.2 Å²	55.2	30%	0.304	28%	0.278	S	S	.	.			trans	-77.9	58.9	174.4	-74.6	-166.5	171.5	-165.2	0	111.2	I231 A269 R273 D282 T288	I231-K271 HydrophobicContact CG2-CD 4Å; A269-K271 PolarHBondContact O-N 3.31Å; K271-R273 PolarHBondContact O-N 2.93Å; K271-D282 IonicContact NZ-OD1 3.36Å; K271-D282 PolarHBondContact NZ-OD1 2.98Å; K271-D282 VanDerWaalsContact NZ-OD1 3.12Å; K271-T288 PolarHBondContact O-OG1 3.49Å
272	T	66.9	Low	80.4	Confident	85 Å²	85	48 Å²	48	52%	0.521	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-68	120.1	167.7	-49.9	0	0	0	0	108.3	L270 T288	L270-T272 PolarHBondContact O-N 2.89Å; T272-T288 WeakPolarHBondContact CA-O 3.48Å; T272-T288 VanDerWaalsContact CA-OG1 3.3Å; T272-T288 WeakPolarHBondContact CA-OG1 3.43Å; T272-T288 PolarHBondContact N-OG1 3.27Å; T272-T288 PolarHBondContact OG1-OG1 3.49Å
273	R	73.3	Confident	80.7	Confident	68 Å²	68	51 Å²	51	26%	0.257	26%	0.259	S	S	.	.			trans	-119.6	136.4	179.2	-67.9	-71.4	-150.5	-175.6	7.8	109.4	K271 L278 E281 D282 I287 T288 I289	K271-R273 PolarHBondContact O-N 2.93Å; R273-L278 HydrophobicContact CB-CD2 4.26Å; R273-E281 IonicContact NH2-OE1 3.75Å; R273-E281 PolarHBondContact NH2-OE1 2.9Å; R273-D282 IonicContact CZ-OD2 2.79Å; R273-D282 IonicContact NE-OD2 2.74Å; R273-D282 PolarHBondContact NE-OD2 3.45Å; R273-D282 IonicContact NH2-OD1 2.64Å; R273-D282 IonicContact NH2-OD2 2.91Å; R273-D282 PolarHBondContact NH2-OD2 3.45Å; R273-I287 HydrophobicContact CB-CG2 4Å; R273-I287 HydrophobicContact CG-CG2 4.08Å; R273-T288 PolarHBondContact N-O 3.31Å; R273-T288 VanDerWaalsContact N-O 3.1Å; R273-I289 WeakPolarHBondContact O-CG2 3.46Å
274	N	79	Confident	81	Confident	59 Å²	59	50.1 Å²	50.1	32%	0.316	26%	0.257	S	S	.	.			trans	-71.4	149.1	167.8	-62.3	23.2	0	0	0	108.4	R276 S277	N274-R276 PolarHBondContact O-N 3.41Å; N274-S277 PolarHBondContact N-OG 2.82Å; N274-S277 PolarHBondContact O-N 2.95Å; N274-S277 PolarHBondContact O-OG 3.1Å
275	M	80.9	Confident	81	Confident	13 Å²	13	51.3 Å²	51.3	6%	0.064	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-55.8	-28.2	-176.8	-63	-171.2	-174.9	0	0	113.3	I289 L358 Q359 E360	M275-I289 HydrophobicContact CE-CD1 4.31Å; M275-L358 HydrophobicContact CE-CB 3.96Å; M275-L358 HydrophobicContact CE-CD2 3.42Å; M275-L358 VanDerWaalsContact CE-CD2 3.42Å; M275-L358 HydrophobicContact CE-CG 3.62Å; M275-Q359 WeakPolarHBondContact CE-O 3.4Å; M275-E360 HydrophobicContact CG-CB 4.38Å; M275-E360 HydrophobicContact SD-CB 3.94Å; M275-E360 PolarHBondContact SD-N 3.05Å; M275-E360 VanDerWaalsContact SD-N 3.39Å
276	R	83.8	Confident	81.1	Confident	69 Å²	69	50.3 Å²	50.3	26%	0.26	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-71.9	-24.5	175.8	-64.8	165.7	-172.6	-89.6	-11.7	114.5	N274 E360 T370	N274-R276 PolarHBondContact O-N 3.41Å; R276-E360 WeakPolarHBondContact CD-OE1 3.28Å; R276-E360 WeakPolarHBondContact CG-OE1 3.47Å; R276-E360 IonicContact CZ-OE2 3.93Å; R276-E360 IonicContact NE-OE1 2.75Å; R276-E360 PolarHBondContact NE-OE1 3.3Å; R276-E360 IonicContact NE-OE2 2.71Å; R276-E360 PolarHBondContact NE-OE2 3.45Å; R276-E360 IonicContact NH2-OE2 3.49Å; R276-E360 PolarHBondContact NH2-OE2 2.93Å; R276-T370 PolarHBondContact NH2-O 3.13Å
277	S	84.4	Confident	81.2	Confident	43 Å²	43	50.4 Å²	50.4	30%	0.301	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-102.3	18.9	-173.5	61.4	0	0	0	0	113.8	N274 N279	N274-S277 PolarHBondContact N-OG 2.82Å; N274-S277 PolarHBondContact O-N 2.95Å; N274-S277 PolarHBondContact O-OG 3.1Å; S277-N279 PolarHBondContact O-N 3.27Å; S277-N279 VanDerWaalsContact O-N 3.09Å
278	L	84.8	Confident	81.4	Confident	27 Å²	27	49.2 Å²	49.2	14%	0.141	26%	0.256	C	S	.	.			trans	-73.6	95.4	174.5	-68.4	174.9	0	0	0	110.6	R273 I287 Y398	R273-L278 HydrophobicContact CB-CD2 4.26Å; L278-I287 HydrophobicContact CD2-CD1 3.77Å; L278-I287 HydrophobicContact CD2-CG2 4.31Å; L278-Y398 HydrophobicContact CB-CE1 4.43Å; L278-Y398 HydrophobicContact CD1-CE2 4.06Å
279	N	88.8	Confident	82	Confident	67 Å²	67	47.7 Å²	47.7	36%	0.358	25%	0.248	S	C	.	.			trans	-78.3	154.3	178.2	-74.8	-16.1	0	0	0	112	S277 E281 D282	S277-N279 PolarHBondContact O-N 3.27Å; S277-N279 VanDerWaalsContact O-N 3.09Å; N279-E281 HydrophobicContact CB-CG 3.73Å; N279-E281 WeakPolarHBondContact CB-OE1 3.29Å; N279-E281 PolarHBondContact ND2-OE1 2.8Å; N279-E281 PolarHBondContact O-N 3.22Å; N279-D282 PolarHBondContact O-N 3.49Å
280	P	88	Confident	82.8	Confident	109 Å²	109	48.7 Å²	48.7	71%	0.708	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-67.9	-13.6	173.7	29.6	-36.1	0	0	0	113.4	D282 I283	P280-D282 VanDerWaalsContact C-N 3.31Å; P280-I283 HydrophobicContact CB-CD1 4.39Å; P280-I283 WeakPolarHBondContact O-CD1 3.3Å; P280-I283 WeakPolarHBondContact O-CG1 3.48Å
281	E	88.1	Confident	84	Confident	119 Å²	119	44.4 Å²	44.4	56%	0.556	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-70.6	-26.5	173.7	75.3	-161.6	158.9	0	0	112.8	R273 N279 I283 Q285	R273-E281 IonicContact NH2-OE1 3.75Å; R273-E281 PolarHBondContact NH2-OE1 2.9Å; N279-E281 HydrophobicContact CB-CG 3.73Å; N279-E281 WeakPolarHBondContact CB-OE1 3.29Å; N279-E281 PolarHBondContact ND2-OE1 2.8Å; N279-E281 PolarHBondContact O-N 3.22Å; E281-I283 VanDerWaalsContact C-N 3.3Å; E281-I283 PolarHBondContact O-N 3.47Å; E281-Q285 PolarHBondContact O-NE2 3.46Å
282	D	86.6	Confident	85.2	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.011	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-89.7	13.6	-177.3	-66.8	-46.6	0	0	0	112.4	K271 R273 N279 P280 Q285 I287	K271-D282 IonicContact NZ-OD1 3.36Å; K271-D282 PolarHBondContact NZ-OD1 2.98Å; K271-D282 VanDerWaalsContact NZ-OD1 3.12Å; R273-D282 IonicContact CZ-OD2 2.79Å; R273-D282 IonicContact NE-OD2 2.74Å; R273-D282 PolarHBondContact NE-OD2 3.45Å; R273-D282 IonicContact NH2-OD1 2.64Å; R273-D282 IonicContact NH2-OD2 2.91Å; R273-D282 PolarHBondContact NH2-OD2 3.45Å; N279-D282 PolarHBondContact O-N 3.49Å; P280-D282 VanDerWaalsContact C-N 3.31Å; D282-Q285 PolarHBondContact O-N 2.86Å; D282-I287 HydrophobicContact CB-CD1 3.81Å
283	I	91	Very high	86.3	Confident	62 Å²	62	39.7 Å²	39.7	32%	0.318	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	140.5	172.8	-68.2	169.8	0	0	0	110.5	P280 E281 Q285 Y398 A400	P280-I283 HydrophobicContact CB-CD1 4.39Å; P280-I283 WeakPolarHBondContact O-CD1 3.3Å; P280-I283 WeakPolarHBondContact O-CG1 3.48Å; E281-I283 VanDerWaalsContact C-N 3.3Å; E281-I283 PolarHBondContact O-N 3.47Å; I283-Q285 PolarHBondContact O-N 3.04Å; I283-Y398 HydrophobicContact CG1-CD1 4Å; I283-Y398 HydrophobicContact CG1-CE1 4.08Å; I283-A400 HydrophobicContact CD1-CB 4.16Å
284	D	90.4	Very high	86.7	Confident	67 Å²	67	40 Å²	40	36%	0.358	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	5.7	-175.2	-70.7	-59.5	0	0	0	115.3	P234 Q235 Y398 R399	P234-D284 WeakPolarHBondContact CD-O 3.49Å; P234-D284 WeakPolarHBondContact CG-O 3.27Å; Q235-D284 PolarHBondContact NE2-OD1 2.86Å; D284-Y398 PolarHBondContact N-O 3.33Å; D284-R399 IonicContact OD1-NH1 3.85Å; D284-R399 PolarHBondContact OD1-NH1 2.98Å; D284-R399 VanDerWaalsContact OD1-NH1 3.1Å
285	Q	88.9	Confident	86.9	Confident	30 Å²	30	39.9 Å²	39.9	14%	0.14	21%	0.208	C	C	.	.	S	Bend	trans	-87.6	160.9	172.7	-59.8	-170.5	42.8	0	0	112.6	I231 E281 D282 I283 Y398	I231-Q285 VanDerWaalsContact O-CA 3.31Å; I231-Q285 WeakPolarHBondContact O-CA 3.44Å; I231-Q285 WeakPolarHBondContact O-CB 3.25Å; E281-Q285 PolarHBondContact O-NE2 3.46Å; D282-Q285 PolarHBondContact O-N 2.86Å; I283-Q285 PolarHBondContact O-N 3.04Å; Q285-Y398 PolarHBondContact O-N 2.76Å
286	L	89.9	Confident	87.2	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	122.2	172.7	-165.4	70.5	0	0	0	110.7	L230 I231 P234 P266 A269 T395 I397 I423	L230-L286 HydrophobicContact CG-CD2 4.41Å; I231-L286 PolarHBondContact O-N 3.46Å; I231-L286 VanDerWaalsContact O-N 3.11Å; P234-L286 HydrophobicContact CB-CB 4.37Å; P234-L286 HydrophobicContact CB-CD1 4.41Å; P234-L286 HydrophobicContact CG-CB 4.33Å; P266-L286 HydrophobicContact CB-CD2 4.46Å; A269-L286 HydrophobicContact CB-CD2 4.42Å; L286-T395 HydrophobicContact CD1-CG2 3.99Å; L286-T395 HydrophobicContact CD2-CG2 4.28Å; L286-T395 HydrophobicContact CG-CG2 4.07Å; L286-I397 HydrophobicContact CD1-CG1 4.48Å; L286-I423 HydrophobicContact CD1-CD1 3.54Å
287	I	89.8	Confident	87.3	Confident	3 Å²	3	39 Å²	39	2%	0.015	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	142	-179.7	-49.4	-175	0	0	0	110.1	R273 L278 D282 I289 G396 Y398	R273-I287 HydrophobicContact CB-CG2 4Å; R273-I287 HydrophobicContact CG-CG2 4.08Å; L278-I287 HydrophobicContact CD2-CD1 3.77Å; L278-I287 HydrophobicContact CD2-CG2 4.31Å; D282-I287 HydrophobicContact CB-CD1 3.81Å; I287-I289 HydrophobicContact CG2-CG2 3.89Å; I287-G396 PolarHBondContact N-O 2.95Å; I287-G396 PolarHBondContact O-N 3.38Å; I287-Y398 HydrophobicContact CD1-CD1 4.32Å; I287-Y398 HydrophobicContact CD1-CG 4.1Å
288	T	88.2	Confident	87.3	Confident	13 Å²	13	44.8 Å²	44.8	8%	0.08	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.1	165.5	34.6	0	0	0	0	109.8	A269 K271 T272 R273 I394 T395	A269-T288 HydrophobicContact CB-CG2 4.08Å; A269-T288 PolarHBondContact O-OG1 2.93Å; K271-T288 PolarHBondContact O-OG1 3.49Å; T272-T288 WeakPolarHBondContact CA-O 3.48Å; T272-T288 VanDerWaalsContact CA-OG1 3.3Å; T272-T288 WeakPolarHBondContact CA-OG1 3.43Å; T272-T288 PolarHBondContact N-OG1 3.27Å; T272-T288 PolarHBondContact OG1-OG1 3.49Å; R273-T288 PolarHBondContact N-O 3.31Å; R273-T288 VanDerWaalsContact N-O 3.1Å; T288-I394 WeakPolarHBondContact CA-O 3.25Å; T288-T395 HydrophobicContact CG2-CG2 4.01Å; T288-T395 WeakPolarHBondContact CG2-OG1 3.42Å
289	I	88.2	Confident	87.6	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.015	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	139.1	173	64.2	164.4	0	0	0	110.9	R273 M275 I287 L358 N393 I394 I420	R273-I289 WeakPolarHBondContact O-CG2 3.46Å; M275-I289 HydrophobicContact CE-CD1 4.31Å; I287-I289 HydrophobicContact CG2-CG2 3.89Å; I289-L358 HydrophobicContact CD1-CD2 3.69Å; I289-L358 HydrophobicContact CG1-CD2 4.14Å; I289-N393 CarbonylContact O-C 3.5Å; I289-N393 WeakPolarHBondContact O-CA 3.31Å; I289-I394 HydrophobicContact CG1-CB 4.06Å; I289-I394 PolarHBondContact N-O 3.23Å; I289-I394 PolarHBondContact O-N 2.76Å; I289-I420 HydrophobicContact CD1-CD1 3.4Å; I289-I420 HydrophobicContact CG1-CD1 4.15Å; I289-I420 HydrophobicContact CG2-CD1 4.39Å
290	S	86.5	Confident	87.6	Confident	22 Å²	22	49.2 Å²	49.2	15%	0.154	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	147.3	169.5	52.2	0	0	0	0	110.3	D364 N393	S290-D364 PolarHBondContact OG-OD2 2.92Å; S290-N393 WeakPolarHBondContact CA-OD1 3.39Å; S290-N393 VanDerWaalsContact CB-OD1 3.29Å; S290-N393 WeakPolarHBondContact CB-OD1 3.42Å
291	G	86.2	Confident	87.8	Confident	1 Å²	1	47.9 Å²	47.9	1%	0.01	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.9	175.2	170	0	0	0	0	0	115.4	Q359 V392	G291-Q359 CarbonylContact C-O 3.55Å; G291-Q359 WeakPolarHBondContact CA-O 3.37Å; G291-V392 PolarHBondContact N-O 3.2Å; G291-V392 PolarHBondContact O-N 3.47Å
292	M	86.6	Confident	87.8	Confident	53 Å²	53	46.1 Å²	46.1	26%	0.261	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	132.8	176	179.7	179.5	-74.2	0	0	110.4	I294 Q359 D390 R391	M292-I294 PolarHBondContact O-N 3.32Å; M292-Q359 PolarHBondContact N-O 3.06Å; M292-Q359 WeakPolarHBondContact O-CB 3.22Å; M292-Q359 PolarHBondContact O-N 2.93Å; M292-D390 WeakPolarHBondContact CA-O 3.13Å; M292-R391 HydrophobicContact CE-CG 4.36Å
293	V	88.1	Confident	87.9	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.018	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	120.5	175.8	175.7	0	0	0	0	110.3	T296 I356 L358 V386 G389 D390 V392	V293-T296 HydrophobicContact CG1-CG2 4.27Å; V293-I356 HydrophobicContact CB-CG2 4.4Å; V293-I356 HydrophobicContact CG1-CG2 3.63Å; V293-I356 HydrophobicContact CG2-CG2 3.85Å; V293-L358 HydrophobicContact CG2-CD1 3.63Å; V293-V386 HydrophobicContact CB-CG1 4.34Å; V293-V386 HydrophobicContact CG2-CG1 3.56Å; V293-G389 PolarHBondContact O-N 3.21Å; V293-D390 PolarHBondContact N-O 3.1Å; V293-V392 HydrophobicContact CG2-CG2 3.91Å
294	I	83.6	Confident	87.7	Confident	76 Å²	76	50 Å²	50	39%	0.39	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	-47.7	173.3	-60.8	161.4	0	0	0	110.3	M292 K357 Q359 T373	M292-I294 PolarHBondContact O-N 3.32Å; I294-K357 PolarHBondContact N-O 2.61Å; I294-Q359 HydrophobicContact CD1-CB 3.73Å; I294-Q359 HydrophobicContact CD1-CG 4.18Å; I294-Q359 HydrophobicContact CG1-CB 3.78Å; I294-Q359 HydrophobicContact CG1-CG 4.49Å; I294-T373 HydrophobicContact CD1-CG2 3.49Å; I294-T373 VanDerWaalsContact CD1-CG2 3.49Å
295	R	83.2	Confident	87.6	Confident	55 Å²	55	49.1 Å²	49.1	21%	0.208	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	138.1	-173.2	62.6	175.5	-139.3	176.2	9.7	111.6	K357 D554 E556	R295-K357 HydrophobicContact CG-CB 3.9Å; R295-K357 HydrophobicContact CG-CD 4.35Å; R295-K357 HydrophobicContact CG-CG 4.2Å; R295-K357 VanDerWaalsContact NH2-NZ 3.12Å; R295-K357 PolarHBondContact O-N 3.25Å; R295-D554 IonicContact CZ-OD1 3.86Å; R295-D554 IonicContact NH1-OD1 3.95Å; R295-D554 PolarHBondContact NH1-OD1 3.31Å; R295-D554 IonicContact NH2-OD1 2.84Å; R295-E556 VanDerWaalsContact NH2-CD 3.27Å; R295-E556 IonicContact NH2-OE1 3.12Å; R295-E556 PolarHBondContact NH2-OE1 3.19Å; R295-E556 IonicContact NH2-OE2 3.71Å; R295-E556 PolarHBondContact NH2-OE2 3.31Å
296	T	85.4	Confident	87.7	Confident	36 Å²	36	47.7 Å²	47.7	22%	0.221	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	165.9	160.7	52.3	0	0	0	0	109.4	V293 I356 V386	V293-T296 HydrophobicContact CG1-CG2 4.27Å; T296-I356 HydrophobicContact CG2-CG1 4.33Å; T296-V386 WeakPolarHBondContact CG2-O 3.45Å
297	S	86.4	Confident	87.8	Confident	29 Å²	29	48.7 Å²	48.7	20%	0.203	25%	0.249	C	C	.	.			trans	-114.5	168	169	53.4	0	0	0	0	109.6	Q354 M355	S297-Q354 WeakPolarHBondContact O-CG 3.23Å; S297-Q354 PolarHBondContact O-NE2 2.84Å; S297-M355 WeakPolarHBondContact CB-O 3.48Å; S297-M355 PolarHBondContact N-O 2.82Å; S297-M355 WeakPolarHBondContact OG-CA 3.37Å; S297-M355 WeakPolarHBondContact OG-CB 3.35Å; S297-M355 PolarHBondContact OG-N 3.24Å; S297-M355 PolarHBondContact OG-O 3.18Å
298	Q	85.5	Confident	87.8	Confident	163 Å²	163	49 Å²	49	76%	0.762	25%	0.25	S	S	*	.			trans	-65.7	158	169	-66.1	176.7	-4.7	0	0	110.5	I300	Q298-I300 PolarHBondContact O-N 2.8Å
299	L	89.7	Confident	87.9	Confident	98 Å²	98	51.6 Å²	51.6	51%	0.513	26%	0.262	S	S	.	.			trans	-56.2	130.8	175.1	-67.3	116.7	0	0	0	111.3	D352 V383	L299-D352 HydrophobicContact CD2-CB 3.78Å; L299-V383 HydrophobicContact CD2-CB 4.47Å; L299-V383 HydrophobicContact CD2-CG1 3.54Å; L299-V383 HydrophobicContact CG-CG1 3.94Å
300	I	89.9	Confident	88	Confident	89 Å²	89	51.6 Å²	51.6	46%	0.456	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	116.1	174.3	-55.3	177.1	0	0	0	107.3	Q298 E302 K353	Q298-I300 PolarHBondContact O-N 2.8Å; I300-E302 PolarHBondContact O-N 2.96Å; I300-K353 WeakPolarHBondContact CA-O 3.5Å; I300-K353 WeakPolarHBondContact CB-O 3.21Å; I300-K353 PolarHBondContact N-O 2.97Å; I300-K353 WeakPolarHBondContact O-CB 3.49Å; I300-K353 PolarHBondContact O-N 3.49Å
301	P	91.2	Very high	88	Confident	81 Å²	81	57.5 Å²	57.5	53%	0.526	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	127.9	177.2	28.1	-33.2	0	0	0	111.2	F350	P301-F350 HydrophobicContact CB-CB 3.97Å; P301-F350 HydrophobicContact CB-CD1 3.97Å; P301-F350 HydrophobicContact CB-CG 4.11Å
302	E	88.6	Confident	88.1	Confident	83 Å²	83	62.3 Å²	62.3	39%	0.388	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	130.5	173.4	-177.6	157	-142.7	0	0	109.2	I300 F350 S351 K353 H379	I300-E302 PolarHBondContact O-N 2.96Å; E302-F350 CarbonylContact O-C 3.6Å; E302-F350 VanDerWaalsContact O-CA 3.25Å; E302-F350 WeakPolarHBondContact O-CA 3.39Å; E302-S351 PolarHBondContact N-O 3.15Å; E302-S351 PolarHBondContact O-N 3.07Å; E302-S351 PolarHBondContact O-OG 2.89Å; E302-K353 IonicContact OE1-NZ 3.06Å; E302-K353 PolarHBondContact OE1-NZ 3.35Å; E302-K353 WeakPolarHBondContact OE2-CD 3.48Å; E302-K353 IonicContact OE2-NZ 3.32Å; E302-K353 PolarHBondContact OE2-NZ 2.95Å; E302-H379 IonicContact OE2-CE1 2.79Å
303	M	87.9	Confident	88.2	Confident	46 Å²	46	61.8 Å²	61.8	23%	0.227	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	127.8	-171.2	-173.3	-179.9	-66	0	0	112.1	A306 I326 L343 F350	M303-A306 HydrophobicContact SD-CB 4.15Å; M303-I326 HydrophobicContact SD-CD1 3.74Å; M303-L343 HydrophobicContact CE-CD2 4.42Å; M303-F350 HydrophobicContact CB-CD1 3.98Å; M303-F350 HydrophobicContact CB-CE1 3.99Å; M303-F350 HydrophobicContact CE-CE1 3.62Å; M303-F350 HydrophobicContact CE-CZ 3.87Å; M303-F350 HydrophobicContact CG-CD1 4.42Å; M303-F350 HydrophobicContact CG-CE1 4.23Å
304	Q	87.3	Confident	88.1	Confident	100 Å²	100	64.6 Å²	64.6	47%	0.467	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-47.5	177.5	-67.3	-168.9	-24.1	0	0	113.3	V321 L349 S351	Q304-V321 WeakPolarHBondContact O-CG2 3.34Å; Q304-V321 PolarHBondContact O-N 3.34Å; Q304-L349 PolarHBondContact N-O 3.35Å; Q304-S351 WeakPolarHBondContact CG-OG 3.39Å
305	E	89.6	Confident	88.3	Confident	47 Å²	47	64.8 Å²	64.8	22%	0.22	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125	175.2	-76.8	-174.2	-154.2	0	0	110.4	R318 E320 S348 L349	E305-R318 VanDerWaalsContact OE2-CD 3.23Å; E305-R318 WeakPolarHBondContact OE2-CD 3.1Å; E305-R318 IonicContact OE2-NH1 2.64Å; E305-R318 PolarHBondContact OE2-NH1 2.88Å; E305-E320 HydrophobicContact CG-CG 4.06Å; E305-S348 CarbonylContact O-C 3.58Å; E305-S348 WeakPolarHBondContact O-CA 3.23Å; E305-S348 WeakPolarHBondContact O-CB 3.39Å; E305-L349 HydrophobicContact CB-CB 4.06Å; E305-L349 HydrophobicContact CB-CD1 4.29Å; E305-L349 HydrophobicContact CB-CG 4.17Å; E305-L349 HydrophobicContact CG-CD1 4.13Å; E305-L349 PolarHBondContact N-O 3.14Å; E305-L349 PolarHBondContact O-N 3.08Å; E305-L349 VanDerWaalsContact O-N 3.07Å
306	A	89.6	Confident	88.5	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.4	171.7	0	0	0	0	0	111.1	M303 F308 R318 A319 I326 L343	M303-A306 HydrophobicContact SD-CB 4.15Å; A306-F308 HydrophobicContact CB-CD2 4.24Å; A306-F308 HydrophobicContact CB-CE2 3.62Å; A306-F308 HydrophobicContact CB-CZ 4.17Å; A306-R318 WeakPolarHBondContact O-CA 3.25Å; A306-A319 PolarHBondContact N-O 3.46Å; A306-A319 PolarHBondContact O-N 3.37Å; A306-I326 HydrophobicContact CB-CD1 4.5Å; A306-I326 HydrophobicContact CB-CG2 3.5Å; A306-I326 VanDerWaalsContact CB-CG2 3.5Å; A306-L343 HydrophobicContact CB-CD1 3.72Å
307	F	91.9	Very high	88.6	Confident	22 Å²	22	64.5 Å²	64.5	10%	0.096	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	111.4	172.8	-171.2	-81.9	0	0	0	110.4	Q309 R318 V344 R347	F307-Q309 HydrophobicContact CE1-CB 4.37Å; F307-R318 HydrophobicContact CD2-CG 4.16Å; F307-V344 HydrophobicContact CD1-CB 4.03Å; F307-V344 HydrophobicContact CD1-CG2 4.34Å; F307-V344 PolarHBondContact O-N 3Å; F307-R347 HydrophobicContact CB-CB 3.96Å; F307-R347 WeakPolarHBondContact CB-O 3.31Å; F307-R347 HydrophobicContact CD1-CB 3.91Å; F307-R347 HydrophobicContact CD2-CB 4.16Å; F307-R347 HydrophobicContact CE1-CB 4.43Å; F307-R347 HydrophobicContact CG-CB 3.75Å
308	F	90.9	Very high	88.7	Confident	10 Å²	10	71.1 Å²	71.1	4%	0.044	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	141.1	175.2	-67.9	-83	0	0	0	111.3	A306 S316 A317 A319 I326 E328 P329 M341 A342 L343	A306-F308 HydrophobicContact CB-CD2 4.24Å; A306-F308 HydrophobicContact CB-CE2 3.62Å; A306-F308 HydrophobicContact CB-CZ 4.17Å; F308-S316 CarbonylContact O-C 3.58Å; F308-S316 VanDerWaalsContact O-CA 3.3Å; F308-S316 WeakPolarHBondContact O-CA 3.39Å; F308-A317 PolarHBondContact N-O 3.32Å; F308-A317 PolarHBondContact O-N 3.08Å; F308-A319 HydrophobicContact CD2-CB 4.31Å; F308-A319 HydrophobicContact CE2-CB 4.04Å; F308-I326 HydrophobicContact CE2-CG2 4.06Å; F308-I326 HydrophobicContact CZ-CG2 3.91Å; F308-E328 HydrophobicContact CE1-CB 4.15Å; F308-E328 HydrophobicContact CZ-CB 4.1Å; F308-P329 HydrophobicContact CB-CG 4.33Å; F308-P329 HydrophobicContact CD2-CG 4.15Å; F308-P329 HydrophobicContact CG-CG 4.16Å; F308-M341 HydrophobicContact CB-CB 4.42Å; F308-M341 HydrophobicContact CB-SD 4.11Å; F308-M341 HydrophobicContact CD1-CB 4.34Å; F308-A342 CarbonylContact C-O 3.53Å; F308-A342 WeakPolarHBondContact CA-O 3.34Å; F308-L343 HydrophobicContact CD1-CB 4.26Å; F308-L343 HydrophobicContact CD1-CD1 4.44Å; F308-L343 HydrophobicContact CE1-CB 4.03Å; F308-L343 HydrophobicContact CE1-CD1 4.17Å; F308-L343 HydrophobicContact CZ-CD1 4.22Å
309	Q	90.4	Very high	88.8	Confident	67 Å²	67	64.5 Å²	64.5	31%	0.313	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	130.6	174.6	-170.3	176.1	12.6	0	0	110.6	F307 A342 V344	F307-Q309 HydrophobicContact CE1-CB 4.37Å; Q309-A342 PolarHBondContact N-O 2.92Å; Q309-A342 PolarHBondContact O-N 3.39Å; Q309-V344 HydrophobicContact CB-CG2 3.82Å
310	C	89.4	Confident	88.6	Confident	2 Å²	2	67.2 Å²	67.2	1%	0.014	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	129.1	175.4	-178.2	0	0	0	0	111.3	V312 A314 F315 C332 C335 S340 M341	C310-V312 VanDerWaalsContact C-N 3.31Å; C310-V312 PolarHBondContact O-N 3.05Å; C310-A314 WeakPolarHBondContact O-CA 3.49Å; C310-A314 PolarHBondContact O-N 3.13Å; C310-F315 HydrophobicContact CB-CB 4.49Å; C310-F315 PolarHBondContact N-O 3.35Å; C310-C332 HydrophobicContact CB-CB 4.39Å; C310-C335 VanDerWaalsContact SG-SG 3.63Å; C310-S340 WeakPolarHBondContact CA-O 3.48Å; C310-S340 PolarHBondContact SG-OG 3.29Å; C310-M341 HydrophobicContact CB-CE 3.87Å; C310-M341 HydrophobicContact CB-SD 3.89Å; C310-M341 PolarHBondContact N-SD 3.29Å
311	Q	87.6	Confident	88.2	Confident	146 Å²	146	64.6 Å²	64.6	68%	0.682	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-26.2	179.1	-66.7	-65.4	-26.1	0	0	113.9	S340 A342	Q311-S340 PolarHBondContact N-O 3.5Å; Q311-A342 HydrophobicContact CG-CB 4.36Å; Q311-A342 VanDerWaalsContact NE2-CB 3.34Å
312	V	88.1	Confident	87.6	Confident	103 Å²	103	66.1 Å²	66.1	62%	0.624	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-40.8	-174.4	-179.2	0	0	0	0	112.6	C310 T337	C310-V312 VanDerWaalsContact C-N 3.31Å; C310-V312 PolarHBondContact O-N 3.05Å; V312-T337 HydrophobicContact CG2-CG2 4.49Å
313	C	87.4	Confident	86.8	Confident	41 Å²	41	73.3 Å²	73.3	28%	0.277	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	7.5	-173.9	67.7	0	0	0	0	114.4	F315 C332 C335	C313-F315 PolarHBondContact O-N 2.88Å; C313-C332 PolarHBondContact SG-SG 3.26Å; C313-C335 HydrophobicContact CB-CB 4.07Å
314	A	86.4	Confident	86	Confident	63 Å²	63	74.4 Å²	74.4	52%	0.521	39%	0.39	S	S	.	.			trans	56.4	4.3	-177.5	0	0	0	0	0	116.3	C310 S316	C310-A314 WeakPolarHBondContact O-CA 3.49Å; C310-A314 PolarHBondContact O-N 3.13Å; A314-S316 PolarHBondContact O-N 3.24Å
315	F	86.9	Confident	85.7	Confident	79 Å²	79	79.6 Å²	79.6	35%	0.346	41%	0.405	S	S	.	.			trans	-59.4	128.6	179.2	-176.1	-92.9	0	0	0	111.1	C310 C313 A317 R333 H334 M341	C310-F315 HydrophobicContact CB-CB 4.49Å; C310-F315 PolarHBondContact N-O 3.35Å; C313-F315 PolarHBondContact O-N 2.88Å; F315-A317 HydrophobicContact CE1-CB 4.44Å; F315-R333 HydrophobicContact CE1-CB 4.41Å; F315-H334 HydrophobicContact CB-CB 4.29Å; F315-H334 HydrophobicContact CD2-CB 4.2Å; F315-H334 HydrophobicContact CG-CB 4.23Å; F315-M341 HydrophobicContact CD1-CE 4.26Å
316	S	88.1	Confident	85.4	Confident	61 Å²	61	80.8 Å²	80.8	43%	0.427	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	133.8	178.7	54.3	0	0	0	0	112	F308 A314	F308-S316 CarbonylContact O-C 3.58Å; F308-S316 VanDerWaalsContact O-CA 3.3Å; F308-S316 WeakPolarHBondContact O-CA 3.39Å; A314-S316 PolarHBondContact O-N 3.24Å
317	A	87.4	Confident	85.1	Confident	24 Å²	24	84.2 Å²	84.2	20%	0.198	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	139.1	169.5	0	0	0	0	0	109.4	F308 F315	F308-A317 PolarHBondContact N-O 3.32Å; F308-A317 PolarHBondContact O-N 3.08Å; F315-A317 HydrophobicContact CE1-CB 4.44Å
318	R	88.5	Confident	84.7	Confident	169 Å²	169	89.5 Å²	89.5	64%	0.638	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.8	145.7	167.8	-57.6	-167.3	-171.2	-173.3	3.7	109.3	E305 A306 F307	E305-R318 VanDerWaalsContact OE2-CD 3.23Å; E305-R318 WeakPolarHBondContact OE2-CD 3.1Å; E305-R318 IonicContact OE2-NH1 2.64Å; E305-R318 PolarHBondContact OE2-NH1 2.88Å; A306-R318 WeakPolarHBondContact O-CA 3.25Å; F307-R318 HydrophobicContact CD2-CG 4.16Å
319	A	87.1	Confident	84.3	Confident	23 Å²	23	91 Å²	91	19%	0.19	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	124.6	171	0	0	0	0	0	109.2	A306 F308	A306-A319 PolarHBondContact N-O 3.46Å; A306-A319 PolarHBondContact O-N 3.37Å; F308-A319 HydrophobicContact CD2-CB 4.31Å; F308-A319 HydrophobicContact CE2-CB 4.04Å
320	E	85.3	Confident	83.9	Confident	155 Å²	155	89.9 Å²	89.9	72%	0.724	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	152.3	173	-71.6	159.2	-141	0	0	111.1	E305 D322	E305-E320 HydrophobicContact CG-CG 4.06Å; E320-D322 PolarHBondContact O-N 3.12Å
321	V	81.9	Confident	83.8	Confident	35 Å²	35	93.1 Å²	93.1	21%	0.212	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	95.1	179.9	-176.9	0	0	0	0	110.4	Q304 R323 I326	Q304-V321 WeakPolarHBondContact O-CG2 3.34Å; Q304-V321 PolarHBondContact O-N 3.34Å; V321-R323 PolarHBondContact O-N 3.36Å; V321-I326 HydrophobicContact CG1-CG1 4.12Å; V321-I326 HydrophobicContact CG2-CD1 4.11Å; V321-I326 HydrophobicContact CG2-CG1 3.78Å; V321-I326 HydrophobicContact CG2-CG2 4.46Å
322	D	78.4	Confident	83.6	Confident	112 Å²	112	86.2 Å²	86.2	60%	0.599	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	121.7	172.7	-179.4	26	0	0	0	111	E320 G324 R325	E320-D322 PolarHBondContact O-N 3.12Å; D322-G324 PolarHBondContact O-N 3.18Å; D322-G324 VanDerWaalsContact O-N 3.08Å; D322-R325 PolarHBondContact O-N 3.32Å
323	R	73.1	Confident	83.3	Confident	235 Å²	235	92.1 Å²	92.1	89%	0.887	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	42.1	173.9	-68.9	164.3	-178.5	-141	-3.8	114	V321 R325	V321-R323 PolarHBondContact O-N 3.36Å; R323-R325 VanDerWaalsContact C-N 3.28Å; R323-R325 PolarHBondContact O-N 2.98Å
324	G	69.8	Low	83	Confident	69 Å²	69	96.8 Å²	96.8	71%	0.711	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.4	16.3	178.9	0	0	0	0	0	114.8	D322	D322-G324 PolarHBondContact O-N 3.18Å; D322-G324 VanDerWaalsContact O-N 3.08Å
325	R	81.5	Confident	82.9	Confident	208 Å²	208	95.7 Å²	95.7	79%	0.785	48%	0.483	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	116.1	172.1	-66.8	-172.9	-179	-170	2.7	110.2	D322 R323	D322-R325 PolarHBondContact O-N 3.32Å; R323-R325 VanDerWaalsContact C-N 3.28Å; R323-R325 PolarHBondContact O-N 2.98Å
326	I	84.3	Confident	82.8	Confident	72 Å²	72	97.8 Å²	97.8	37%	0.369	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	118	172	-39.7	-167.8	0	0	0	108.1	M303 A306 F308 V321 E328	M303-I326 HydrophobicContact SD-CD1 3.74Å; A306-I326 HydrophobicContact CB-CD1 4.5Å; A306-I326 HydrophobicContact CB-CG2 3.5Å; A306-I326 VanDerWaalsContact CB-CG2 3.5Å; F308-I326 HydrophobicContact CE2-CG2 4.06Å; F308-I326 HydrophobicContact CZ-CG2 3.91Å; V321-I326 HydrophobicContact CG1-CG1 4.12Å; V321-I326 HydrophobicContact CG2-CD1 4.11Å; V321-I326 HydrophobicContact CG2-CG1 3.78Å; V321-I326 HydrophobicContact CG2-CG2 4.46Å; I326-E328 PolarHBondContact O-N 3.37Å
327	A	82.8	Confident	82.6	Confident	73 Å²	73	97.4 Å²	97.4	60%	0.603	49%	0.493	S	S	*	.			trans	-84.6	106.4	173.8	0	0	0	0	0	109.8
328	E	83.4	Confident	82.5	Confident	132 Å²	132	100.6 Å²	100.6	62%	0.617	51%	0.51	S	S	*	.			trans	-72.7	129.8	175.9	60.5	173.9	-159.2	0	0	111.6	F308 I326 A330	F308-E328 HydrophobicContact CE1-CB 4.15Å; F308-E328 HydrophobicContact CZ-CB 4.1Å; I326-E328 PolarHBondContact O-N 3.37Å; E328-A330 PolarHBondContact O-N 2.61Å
329	P	82.6	Confident	82.2	Confident	41 Å²	41	99.6 Å²	99.6	27%	0.266	51%	0.512	S	S	.	.			trans	-73.8	98	173.9	26.4	-30.2	0	0	0	110.2	F308 V331 M341	F308-P329 HydrophobicContact CB-CG 4.33Å; F308-P329 HydrophobicContact CD2-CG 4.15Å; F308-P329 HydrophobicContact CG-CG 4.16Å; P329-V331 PolarHBondContact O-N 2.98Å; P329-V331 VanDerWaalsContact O-N 3.07Å; P329-M341 HydrophobicContact CG-CB 4.47Å; P329-M341 HydrophobicContact CG-CG 4.1Å; P329-M341 WeakPolarHBondContact O-CG 3.32Å
330	A	82.9	Confident	82.1	Confident	44 Å²	44	99.1 Å²	99.1	36%	0.364	51%	0.508	S	S	.	.	S	Bend	trans	-62	-15.5	-177	0	0	0	0	0	115.1	E328 T338 H339	E328-A330 PolarHBondContact O-N 2.61Å; A330-T338 CarbonylContact O-C 3.54Å; A330-T338 WeakPolarHBondContact O-CA 3.28Å; A330-H339 PolarHBondContact O-N 3.42Å
331	V	86.3	Confident	82.2	Confident	71 Å²	71	93 Å²	93	43%	0.43	48%	0.479	S	S	.	.	B	Isolated β-bridge	trans	-130.1	131.8	179	-176.6	0	0	0	0	109.7	P329 T338	P329-V331 PolarHBondContact O-N 2.98Å; P329-V331 VanDerWaalsContact O-N 3.07Å; V331-T338 HydrophobicContact CG2-CG2 4.24Å
332	C	82.9	Confident	82.5	Confident	0 Å²	0	92.9 Å²	92.9	0%	0	48%	0.482	C	S	.	.			trans	-73.2	125.9	171	-178.9	0	0	0	0	111.3	C310 C313 H334 C335 N336 T337 M341	C310-C332 HydrophobicContact CB-CB 4.39Å; C313-C332 PolarHBondContact SG-SG 3.26Å; C332-H334 PolarHBondContact O-N 3.22Å; C332-H334 VanDerWaalsContact O-N 3.11Å; C332-H334 PolarHBondContact SG-N 2.98Å; C332-C335 VanDerWaalsContact CB-SG 3.56Å; C332-C335 VanDerWaalsContact SG-SG 3.65Å; C332-N336 VanDerWaalsContact O-CA 3.3Å; C332-N336 WeakPolarHBondContact O-CA 3.44Å; C332-N336 PolarHBondContact O-N 3.2Å; C332-T337 PolarHBondContact N-O 3.23Å; C332-M341 HydrophobicContact CB-CE 3.75Å
333	R	81.8	Confident	83	Confident	228 Å²	228	91 Å²	91	86%	0.86	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-20.1	178.1	-69.9	-172.1	178.8	-178.7	1	114.9	F315	F315-R333 HydrophobicContact CE1-CB 4.41Å
334	H	82.3	Confident	83.8	Confident	139 Å²	139	81.6 Å²	81.6	64%	0.644	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-40.9	-173.3	-163.8	-140.9	0	0	0	113.7	F315 C332	F315-H334 HydrophobicContact CB-CB 4.29Å; F315-H334 HydrophobicContact CD2-CB 4.2Å; F315-H334 HydrophobicContact CG-CB 4.23Å; C332-H334 PolarHBondContact O-N 3.22Å; C332-H334 VanDerWaalsContact O-N 3.11Å; C332-H334 PolarHBondContact SG-N 2.98Å
335	C	82.8	Confident	84.8	Confident	40 Å²	40	83.7 Å²	83.7	27%	0.27	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	0.4	-179.4	68.7	0	0	0	0	114.6	C310 C313 C332 T337	C310-C335 VanDerWaalsContact SG-SG 3.63Å; C313-C335 HydrophobicContact CB-CB 4.07Å; C332-C335 VanDerWaalsContact CB-SG 3.56Å; C332-C335 VanDerWaalsContact SG-SG 3.65Å; C335-T337 PolarHBondContact O-N 3.43Å; C335-T337 PolarHBondContact O-OG1 3.15Å; C335-T337 PolarHBondContact SG-OG1 3.44Å
336	N	85.3	Confident	85.2	Confident	122 Å²	122	80.2 Å²	80.2	65%	0.652	43%	0.428	S	S	*	.			trans	52.9	11.9	-178.4	-67.2	-29	0	0	0	115.9	C332 T338	C332-N336 VanDerWaalsContact O-CA 3.3Å; C332-N336 WeakPolarHBondContact O-CA 3.44Å; C332-N336 PolarHBondContact O-N 3.2Å; N336-T338 PolarHBondContact O-N 3.11Å
337	T	83.7	Confident	85.4	Confident	54 Å²	54	84.8 Å²	84.8	33%	0.331	44%	0.44	S	S	.	.			trans	-74.3	122	179	-42.2	0	0	0	0	110.1	V312 C332 C335 S340	V312-T337 HydrophobicContact CG2-CG2 4.49Å; C332-T337 PolarHBondContact N-O 3.23Å; C335-T337 PolarHBondContact O-N 3.43Å; C335-T337 PolarHBondContact O-OG1 3.15Å; C335-T337 PolarHBondContact SG-OG1 3.44Å; T337-S340 PolarHBondContact O-OG 3.5Å
338	T	86	Confident	85.7	Confident	91 Å²	91	81.8 Å²	81.8	56%	0.558	42%	0.415	S	S	*	.	B	Isolated β-bridge	trans	-66.1	145.6	175.7	47.3	0	0	0	0	111.4	A330 V331 N336 S340	A330-T338 CarbonylContact O-C 3.54Å; A330-T338 WeakPolarHBondContact O-CA 3.28Å; V331-T338 HydrophobicContact CG2-CG2 4.24Å; N336-T338 PolarHBondContact O-N 3.11Å; T338-S340 PolarHBondContact O-N 3Å
339	H	82.7	Confident	86	Confident	148 Å²	148	79.5 Å²	79.5	69%	0.685	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	28.7	175.9	-53.7	-72.8	0	0	0	115.3	A330	A330-H339 PolarHBondContact O-N 3.42Å
340	S	84.8	Confident	86.4	Confident	13 Å²	13	82 Å²	82	9%	0.091	41%	0.413	C	S	.	.			trans	-92.5	-1.8	-177.4	61.4	0	0	0	0	114.3	C310 Q311 T337 T338	C310-S340 WeakPolarHBondContact CA-O 3.48Å; C310-S340 PolarHBondContact SG-OG 3.29Å; Q311-S340 PolarHBondContact N-O 3.5Å; T337-S340 PolarHBondContact O-OG 3.5Å; T338-S340 PolarHBondContact O-N 3Å
341	M	86.1	Confident	86.8	Confident	27 Å²	27	80.4 Å²	80.4	13%	0.133	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	122.5	-176.1	-73.6	-69.5	-179.3	0	0	111.3	F308 C310 F315 P329 C332	F308-M341 HydrophobicContact CB-CB 4.42Å; F308-M341 HydrophobicContact CB-SD 4.11Å; F308-M341 HydrophobicContact CD1-CB 4.34Å; C310-M341 HydrophobicContact CB-CE 3.87Å; C310-M341 HydrophobicContact CB-SD 3.89Å; C310-M341 PolarHBondContact N-SD 3.29Å; F315-M341 HydrophobicContact CD1-CE 4.26Å; P329-M341 HydrophobicContact CG-CB 4.47Å; P329-M341 HydrophobicContact CG-CG 4.1Å; P329-M341 WeakPolarHBondContact O-CG 3.32Å; C332-M341 HydrophobicContact CB-CE 3.75Å
342	A	88.5	Confident	87.1	Confident	31 Å²	31	80.5 Å²	80.5	26%	0.256	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.7	173.5	0	0	0	0	0	110.5	F308 Q309 Q311	F308-A342 CarbonylContact C-O 3.53Å; F308-A342 WeakPolarHBondContact CA-O 3.34Å; Q309-A342 PolarHBondContact N-O 2.92Å; Q309-A342 PolarHBondContact O-N 3.39Å; Q311-A342 HydrophobicContact CG-CB 4.36Å; Q311-A342 VanDerWaalsContact NE2-CB 3.34Å
343	L	90.1	Very high	87.5	Confident	73 Å²	73	82.4 Å²	82.4	38%	0.382	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	123.1	174.3	-179.7	66.1	0	0	0	110.6	M303 A306 F308	M303-L343 HydrophobicContact CE-CD2 4.42Å; A306-L343 HydrophobicContact CB-CD1 3.72Å; F308-L343 HydrophobicContact CD1-CB 4.26Å; F308-L343 HydrophobicContact CD1-CD1 4.44Å; F308-L343 HydrophobicContact CE1-CB 4.03Å; F308-L343 HydrophobicContact CE1-CD1 4.17Å; F308-L343 HydrophobicContact CZ-CD1 4.22Å
344	V	90.4	Very high	87.9	Confident	37 Å²	37	71.7 Å²	71.7	22%	0.224	37%	0.366	C	S	.	.			trans	-102.3	89.5	175.5	-173.6	0	0	0	0	109.3	F307 Q309 N346 R347 S348	F307-V344 HydrophobicContact CD1-CB 4.03Å; F307-V344 HydrophobicContact CD1-CG2 4.34Å; F307-V344 PolarHBondContact O-N 3Å; Q309-V344 HydrophobicContact CB-CG2 3.82Å; V344-N346 PolarHBondContact O-N 3.26Å; V344-N346 VanDerWaalsContact O-N 3.09Å; V344-R347 HydrophobicContact CG1-CB 4.37Å; V344-R347 HydrophobicContact CG1-CG 4.42Å; V344-R347 PolarHBondContact O-N 2.7Å; V344-S348 PolarHBondContact O-N 3.49Å
345	H	88.8	Confident	88.3	Confident	114 Å²	114	65.9 Å²	65.9	53%	0.528	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-23	-178.7	60.8	-86.5	0	0	0	114.7	R347 S348 F350	H345-R347 VanDerWaalsContact C-N 3.27Å; H345-R347 PolarHBondContact O-N 3.47Å; H345-S348 WeakPolarHBondContact CA-OG 3.5Å; H345-S348 PolarHBondContact O-OG 2.94Å; H345-F350 WeakPolarHBondContact O-CE2 3.34Å; H345-F350 VanDerWaalsContact O-CZ 3.3Å; H345-F350 WeakPolarHBondContact O-CZ 3.29Å
346	N	89.9	Confident	88.7	Confident	134 Å²	134	64.1 Å²	64.1	72%	0.717	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-5.7	177	-69.6	-19.8	0	0	0	114	V344	V344-N346 PolarHBondContact O-N 3.26Å; V344-N346 VanDerWaalsContact O-N 3.09Å
347	R	88.4	Confident	89	Confident	169 Å²	169	60.2 Å²	60.2	64%	0.638	30%	0.304	S	S	*	.	S	Bend	trans	-123.9	0.5	179.3	-73.4	-171	173.7	-171.5	-1.8	113.8	F307 V344 H345	F307-R347 HydrophobicContact CB-CB 3.96Å; F307-R347 WeakPolarHBondContact CB-O 3.31Å; F307-R347 HydrophobicContact CD1-CB 3.91Å; F307-R347 HydrophobicContact CD2-CB 4.16Å; F307-R347 HydrophobicContact CE1-CB 4.43Å; F307-R347 HydrophobicContact CG-CB 3.75Å; V344-R347 HydrophobicContact CG1-CB 4.37Å; V344-R347 HydrophobicContact CG1-CG 4.42Å; V344-R347 PolarHBondContact O-N 2.7Å; H345-R347 VanDerWaalsContact C-N 3.27Å; H345-R347 PolarHBondContact O-N 3.47Å
348	S	89.7	Confident	89.3	Confident	10 Å²	10	57.6 Å²	57.6	7%	0.07	29%	0.288	C	S	.	.	S	Bend	trans	-71	150.3	167.6	36	0	0	0	0	111.1	E305 V344 H345 F350	E305-S348 CarbonylContact O-C 3.58Å; E305-S348 WeakPolarHBondContact O-CA 3.23Å; E305-S348 WeakPolarHBondContact O-CB 3.39Å; V344-S348 PolarHBondContact O-N 3.49Å; H345-S348 WeakPolarHBondContact CA-OG 3.5Å; H345-S348 PolarHBondContact O-OG 2.94Å; S348-F350 WeakPolarHBondContact O-CD2 3.49Å; S348-F350 WeakPolarHBondContact O-CE2 3.37Å; S348-F350 VanDerWaalsContact OG-CE2 3.28Å; S348-F350 WeakPolarHBondContact OG-CE2 3.34Å; S348-F350 WeakPolarHBondContact OG-CZ 3.28Å
349	L	90.4	Very high	89.5	Confident	83 Å²	83	55.9 Å²	55.9	44%	0.435	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	137.1	169.5	-60	-179.1	0	0	0	109.6	Q304 E305	Q304-L349 PolarHBondContact N-O 3.35Å; E305-L349 HydrophobicContact CB-CB 4.06Å; E305-L349 HydrophobicContact CB-CD1 4.29Å; E305-L349 HydrophobicContact CB-CG 4.17Å; E305-L349 HydrophobicContact CG-CD1 4.13Å; E305-L349 PolarHBondContact N-O 3.14Å; E305-L349 PolarHBondContact O-N 3.08Å; E305-L349 VanDerWaalsContact O-N 3.07Å
350	F	91.1	Very high	89.7	Confident	93 Å²	93	49 Å²	49	41%	0.408	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	141.2	176.9	-59.4	-87.8	0	0	0	109.8	P301 E302 M303 H345 S348	P301-F350 HydrophobicContact CB-CB 3.97Å; P301-F350 HydrophobicContact CB-CD1 3.97Å; P301-F350 HydrophobicContact CB-CG 4.11Å; E302-F350 CarbonylContact O-C 3.6Å; E302-F350 VanDerWaalsContact O-CA 3.25Å; E302-F350 WeakPolarHBondContact O-CA 3.39Å; M303-F350 HydrophobicContact CB-CD1 3.98Å; M303-F350 HydrophobicContact CB-CE1 3.99Å; M303-F350 HydrophobicContact CE-CE1 3.62Å; M303-F350 HydrophobicContact CE-CZ 3.87Å; M303-F350 HydrophobicContact CG-CD1 4.42Å; M303-F350 HydrophobicContact CG-CE1 4.23Å; H345-F350 WeakPolarHBondContact O-CE2 3.34Å; H345-F350 VanDerWaalsContact O-CZ 3.3Å; H345-F350 WeakPolarHBondContact O-CZ 3.29Å; S348-F350 WeakPolarHBondContact O-CD2 3.49Å; S348-F350 WeakPolarHBondContact O-CE2 3.37Å; S348-F350 VanDerWaalsContact OG-CE2 3.28Å; S348-F350 WeakPolarHBondContact OG-CE2 3.34Å; S348-F350 WeakPolarHBondContact OG-CZ 3.28Å
351	S	90.5	Very high	89.5	Confident	12 Å²	12	49.1 Å²	49.1	8%	0.084	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	146.5	165.5	47.5	0	0	0	0	110.5	E302 Q304 N380	E302-S351 PolarHBondContact N-O 3.15Å; E302-S351 PolarHBondContact O-N 3.07Å; E302-S351 PolarHBondContact O-OG 2.89Å; Q304-S351 WeakPolarHBondContact CG-OG 3.39Å; S351-N380 VanDerWaalsContact CB-OD1 3.31Å; S351-N380 WeakPolarHBondContact CB-OD1 3.4Å
352	D	92.7	Very high	88.9	Confident	73 Å²	73	51.5 Å²	51.5	39%	0.39	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	132.3	178.4	-74.8	-48.8	0	0	0	112.2	L299 H379 N380 V383	L299-D352 HydrophobicContact CD2-CB 3.78Å; D352-H379 WeakPolarHBondContact O-CA 3.48Å; D352-N380 PolarHBondContact O-N 2.86Å; D352-V383 HydrophobicContact CB-CG2 4.33Å
353	K	91.2	Very high	88.2	Confident	39 Å²	39	55.2 Å²	55.2	17%	0.17	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130	174.3	-171.6	-176.7	-148.2	133.7	0	110	I300 E302 Y377 A378	I300-K353 WeakPolarHBondContact CA-O 3.5Å; I300-K353 WeakPolarHBondContact CB-O 3.21Å; I300-K353 PolarHBondContact N-O 2.97Å; I300-K353 WeakPolarHBondContact O-CB 3.49Å; I300-K353 PolarHBondContact O-N 3.49Å; E302-K353 IonicContact OE1-NZ 3.06Å; E302-K353 PolarHBondContact OE1-NZ 3.35Å; E302-K353 WeakPolarHBondContact OE2-CD 3.48Å; E302-K353 IonicContact OE2-NZ 3.32Å; E302-K353 PolarHBondContact OE2-NZ 2.95Å; K353-Y377 HydrophobicContact CD-CD1 4.23Å; K353-Y377 HydrophobicContact CG-CD1 4.25Å; K353-A378 WeakPolarHBondContact CA-O 3.3Å
354	Q	90.8	Very high	87.5	Confident	4 Å²	4	54.7 Å²	54.7	2%	0.019	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	133.5	174.5	-168.1	-178	40.6	0	0	110.1	S297 I356 Y377 A378 V383	S297-Q354 WeakPolarHBondContact O-CG 3.23Å; S297-Q354 PolarHBondContact O-NE2 2.84Å; Q354-I356 HydrophobicContact CG-CG1 4.47Å; Q354-Y377 CarbonylContact O-C 3.6Å; Q354-Y377 WeakPolarHBondContact O-CA 3.5Å; Q354-A378 HydrophobicContact CB-CB 4.42Å; Q354-A378 PolarHBondContact N-O 2.97Å; Q354-A378 PolarHBondContact O-N 3.28Å; Q354-V383 HydrophobicContact CB-CB 4.29Å; Q354-V383 HydrophobicContact CB-CG1 3.75Å; Q354-V383 HydrophobicContact CB-CG2 3.85Å; Q354-V383 HydrophobicContact CG-CG1 4.27Å
355	M	90.9	Very high	86.9	Confident	17 Å²	17	55.7 Å²	55.7	8%	0.084	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	127	171.3	-172.5	-168.4	56.3	0	0	110.2	S297 I375 Y377 E556	S297-M355 WeakPolarHBondContact CB-O 3.48Å; S297-M355 PolarHBondContact N-O 2.82Å; S297-M355 WeakPolarHBondContact OG-CA 3.37Å; S297-M355 WeakPolarHBondContact OG-CB 3.35Å; S297-M355 PolarHBondContact OG-N 3.24Å; S297-M355 PolarHBondContact OG-O 3.18Å; M355-I375 HydrophobicContact CG-CG2 3.5Å; M355-I375 HydrophobicContact SD-CG2 3.77Å; M355-Y377 HydrophobicContact CB-CD1 3.88Å; M355-Y377 HydrophobicContact CB-CE1 3.71Å; M355-Y377 HydrophobicContact CG-CD1 4.05Å; M355-Y377 HydrophobicContact CG-CE1 3.62Å; M355-Y377 HydrophobicContact SD-CE1 4.33Å; M355-E556 VanDerWaalsContact CE-OE2 3.25Å; M355-E556 WeakPolarHBondContact CE-OE2 3.39Å
356	I	91.4	Very high	86.5	Confident	2 Å²	2	52.9 Å²	52.9	1%	0.01	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.9	178.7	-53.4	179	0	0	0	108	V293 T296 Q354 V376 A378 F425	V293-I356 HydrophobicContact CB-CG2 4.4Å; V293-I356 HydrophobicContact CG1-CG2 3.63Å; V293-I356 HydrophobicContact CG2-CG2 3.85Å; T296-I356 HydrophobicContact CG2-CG1 4.33Å; Q354-I356 HydrophobicContact CG-CG1 4.47Å; I356-V376 HydrophobicContact CB-CB 4.43Å; I356-V376 PolarHBondContact N-O 2.85Å; I356-V376 PolarHBondContact O-N 3.41Å; I356-A378 HydrophobicContact CD1-CB 4.11Å; I356-F425 HydrophobicContact CD1-CE2 4.42Å; I356-F425 HydrophobicContact CD1-CZ 3.9Å
357	K	91	Very high	86.1	Confident	40 Å²	40	51.5 Å²	51.5	17%	0.174	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	113.3	169	-68.4	-164.9	-179.9	168	0	109.8	I294 R295 I375 E556	I294-K357 PolarHBondContact N-O 2.61Å; R295-K357 HydrophobicContact CG-CB 3.9Å; R295-K357 HydrophobicContact CG-CD 4.35Å; R295-K357 HydrophobicContact CG-CG 4.2Å; R295-K357 VanDerWaalsContact NH2-NZ 3.12Å; R295-K357 PolarHBondContact O-N 3.25Å; K357-I375 HydrophobicContact CG-CG1 4.25Å; K357-E556 IonicContact NZ-OE1 3.33Å; K357-E556 PolarHBondContact NZ-OE1 3.13Å
358	L	90.2	Very high	85.9	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	145.4	174.6	-159.1	71.1	0	0	0	110.1	M275 I289 V293 T373 T374 V376 V392 I394	M275-L358 HydrophobicContact CE-CB 3.96Å; M275-L358 HydrophobicContact CE-CD2 3.42Å; M275-L358 VanDerWaalsContact CE-CD2 3.42Å; M275-L358 HydrophobicContact CE-CG 3.62Å; I289-L358 HydrophobicContact CD1-CD2 3.69Å; I289-L358 HydrophobicContact CG1-CD2 4.14Å; V293-L358 HydrophobicContact CG2-CD1 3.63Å; L358-T373 CarbonylContact O-C 3.52Å; L358-T373 WeakPolarHBondContact O-CA 3.43Å; L358-T373 WeakPolarHBondContact O-CB 3.46Å; L358-T374 PolarHBondContact N-O 2.89Å; L358-T374 PolarHBondContact O-N 2.99Å; L358-V376 HydrophobicContact CB-CG2 4.34Å; L358-V392 HydrophobicContact CD1-CG2 3.63Å; L358-I394 HydrophobicContact CB-CD1 4.43Å; L358-I394 HydrophobicContact CD1-CD1 3.95Å; L358-I394 HydrophobicContact CD2-CD1 3.41Å; L358-I394 VanDerWaalsContact CD2-CD1 3.41Å; L358-I394 HydrophobicContact CD2-CG1 4.03Å; L358-I394 HydrophobicContact CG-CD1 4.12Å
359	Q	89.3	Confident	85.7	Confident	55 Å²	55	52.3 Å²	52.3	26%	0.257	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	144	173.2	-167.7	-179.8	-52.8	0	0	109.9	M275 G291 M292 I294 S361 P371 T373	M275-Q359 WeakPolarHBondContact CE-O 3.4Å; G291-Q359 CarbonylContact C-O 3.55Å; G291-Q359 WeakPolarHBondContact CA-O 3.37Å; M292-Q359 PolarHBondContact N-O 3.06Å; M292-Q359 WeakPolarHBondContact O-CB 3.22Å; M292-Q359 PolarHBondContact O-N 2.93Å; I294-Q359 HydrophobicContact CD1-CB 3.73Å; I294-Q359 HydrophobicContact CD1-CG 4.18Å; I294-Q359 HydrophobicContact CG1-CB 3.78Å; I294-Q359 HydrophobicContact CG1-CG 4.49Å; Q359-S361 PolarHBondContact O-N 3.49Å; Q359-P371 HydrophobicContact CG-CB 3.66Å; Q359-P371 HydrophobicContact CG-CG 4.17Å; Q359-T373 HydrophobicContact CG-CG2 4.45Å
360	E	87.1	Confident	85.5	Confident	4 Å²	4	53.7 Å²	53.7	2%	0.019	32%	0.317	C	S	.	.			trans	-58.5	135.6	171.5	-166.6	170.5	-126.3	0	0	111.1	M275 R276 H372	M275-E360 HydrophobicContact CG-CB 4.38Å; M275-E360 HydrophobicContact SD-CB 3.94Å; M275-E360 PolarHBondContact SD-N 3.05Å; M275-E360 VanDerWaalsContact SD-N 3.39Å; R276-E360 WeakPolarHBondContact CD-OE1 3.28Å; R276-E360 WeakPolarHBondContact CG-OE1 3.47Å; R276-E360 IonicContact CZ-OE2 3.93Å; R276-E360 IonicContact NE-OE1 2.75Å; R276-E360 PolarHBondContact NE-OE1 3.3Å; R276-E360 IonicContact NE-OE2 2.71Å; R276-E360 PolarHBondContact NE-OE2 3.45Å; R276-E360 IonicContact NH2-OE2 3.49Å; R276-E360 PolarHBondContact NH2-OE2 2.93Å; E360-H372 PolarHBondContact N-O 3.3Å
361	S	80.5	Confident	85.2	Confident	15 Å²	15	51.5 Å²	51.5	11%	0.105	31%	0.313	C	S	.	.			trans	-59.8	141.4	176.5	-68.7	0	0	0	0	110.9	Q359 E363 D364	Q359-S361 PolarHBondContact O-N 3.49Å; S361-E363 PolarHBondContact O-N 3.23Å; S361-D364 PolarHBondContact O-N 3.08Å
362	P	73.7	Confident	85.1	Confident	77 Å²	77	55.2 Å²	55.2	50%	0.5	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-66.8	-21.4	-178.8	29.6	-37.8	0	0	0	113.7	M365	P362-M365 WeakPolarHBondContact O-CB 3.39Å
363	E	74.9	Confident	84.9	Confident	109 Å²	109	55.6 Å²	55.6	51%	0.509	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-70.5	-31.2	177.5	-62.5	173.8	-142.7	0	0	111.8	S361 R391 K431	S361-E363 PolarHBondContact O-N 3.23Å; E363-R391 IonicContact OE1-CZ 3.88Å; E363-R391 IonicContact OE1-NH1 3.67Å; E363-R391 PolarHBondContact OE1-NH1 2.89Å; E363-R391 IonicContact OE1-NH2 3.8Å; E363-K431 IonicContact OE1-NZ 2.66Å; E363-K431 IonicContact OE2-NZ 2.95Å; E363-K431 PolarHBondContact OE2-NZ 3.5Å
364	D	73.8	Confident	84.8	Confident	62 Å²	62	54.7 Å²	54.7	33%	0.332	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-91.2	6.1	-177.7	-63.4	-50.1	0	0	0	113.5	S290 S361	S290-D364 PolarHBondContact OG-OD2 2.92Å; S361-D364 PolarHBondContact O-N 3.08Å
365	M	78.7	Confident	84.9	Confident	58 Å²	58	55.7 Å²	55.7	29%	0.286	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-89	127.1	-168.9	-173.7	-176.2	-62	0	0	113	P362 P371	P362-M365 WeakPolarHBondContact O-CB 3.39Å; M365-P371 HydrophobicContact CE-CB 3.68Å; M365-P371 HydrophobicContact CE-CG 4.11Å
366	P	80.2	Confident	85	Confident	55 Å²	55	54.9 Å²	54.9	36%	0.357	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-69.2	134.4	169.5	29.5	-33.8	0	0	0	110.8	G368 Q369	P366-G368 PolarHBondContact O-N 3.36Å; P366-Q369 PolarHBondContact O-N 2.85Å
367	A	82.5	Confident	85.1	Confident	104 Å²	104	56.9 Å²	56.9	86%	0.86	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	132	-173.2	0	0	0	0	0	113.6
368	G	82.8	Confident	85.2	Confident	88 Å²	88	55 Å²	55	91%	0.907	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	7.8	172.5	0	0	0	0	0	116.4	P366	P366-G368 PolarHBondContact O-N 3.36Å
369	Q	86.6	Confident	85.2	Confident	109 Å²	109	57.3 Å²	57.3	51%	0.509	34%	0.342	S	S	.	.			trans	-110.7	149	176	-58.2	-167.9	25.7	0	0	112	P366	P366-Q369 PolarHBondContact O-N 2.85Å
370	T	85.5	Confident	85.1	Confident	112 Å²	112	58.2 Å²	58.2	69%	0.687	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-70.4	147.7	174.1	50.6	0	0	0	0	111	R276	R276-T370 PolarHBondContact NH2-O 3.13Å
371	P	85.3	Confident	85	Confident	47 Å²	47	61.2 Å²	61.2	31%	0.305	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-61.7	138.6	174.8	23.5	-31.8	0	0	0	110.9	Q359 M365	Q359-P371 HydrophobicContact CG-CB 3.66Å; Q359-P371 HydrophobicContact CG-CG 4.17Å; M365-P371 HydrophobicContact CE-CB 3.68Å; M365-P371 HydrophobicContact CE-CG 4.11Å
372	H	87.1	Confident	85.3	Confident	90 Å²	90	61.2 Å²	61.2	42%	0.417	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-81.6	155.5	170.9	-76.6	-161.1	0	0	0	110.2	E360	E360-H372 PolarHBondContact N-O 3.3Å
373	T	89.8	Confident	86	Confident	81 Å²	81	58.5 Å²	58.5	50%	0.497	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.9	175.9	61.4	0	0	0	0	110.4	I294 L358 Q359	I294-T373 HydrophobicContact CD1-CG2 3.49Å; I294-T373 VanDerWaalsContact CD1-CG2 3.49Å; L358-T373 CarbonylContact O-C 3.52Å; L358-T373 WeakPolarHBondContact O-CA 3.43Å; L358-T373 WeakPolarHBondContact O-CB 3.46Å; Q359-T373 HydrophobicContact CG-CG2 4.45Å
374	T	89.7	Confident	86.6	Confident	19 Å²	19	57.5 Å²	57.5	12%	0.117	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	146	178.4	-62.2	0	0	0	0	109.6	L358 I420	L358-T374 PolarHBondContact N-O 2.89Å; L358-T374 PolarHBondContact O-N 2.99Å; T374-I420 HydrophobicContact CG2-CD1 3.92Å; T374-I420 HydrophobicContact CG2-CG1 4.38Å
375	I	92.3	Very high	87.1	Confident	26 Å²	26	59.9 Å²	59.9	13%	0.133	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	127.5	177.4	-64.5	168.6	0	0	0	108.1	M355 K357 Y377 K417 H419 I420	M355-I375 HydrophobicContact CG-CG2 3.5Å; M355-I375 HydrophobicContact SD-CG2 3.77Å; K357-I375 HydrophobicContact CG-CG1 4.25Å; I375-Y377 HydrophobicContact CG2-CE1 4.38Å; I375-K417 VanDerWaalsContact CD1-CE 3.44Å; I375-H419 HydrophobicContact CB-CB 4.5Å; I375-H419 HydrophobicContact CG2-CB 4.49Å; I375-H419 VanDerWaalsContact O-CA 3.24Å; I375-H419 WeakPolarHBondContact O-CA 3.4Å; I375-H419 WeakPolarHBondContact O-CB 3.23Å; I375-I420 PolarHBondContact O-N 2.97Å
376	V	93	Very high	87.4	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	140.4	177.2	-175	0	0	0	0	108.1	I356 L358 I394 I420 A422 F425	I356-V376 HydrophobicContact CB-CB 4.43Å; I356-V376 PolarHBondContact N-O 2.85Å; I356-V376 PolarHBondContact O-N 3.41Å; L358-V376 HydrophobicContact CB-CG2 4.34Å; V376-I394 HydrophobicContact CB-CD1 4.42Å; V376-I394 HydrophobicContact CG1-CD1 4.19Å; V376-I394 HydrophobicContact CG1-CG2 4.23Å; V376-I394 HydrophobicContact CG2-CD1 3.79Å; V376-I420 CarbonylContact C-O 3.59Å; V376-I420 WeakPolarHBondContact CA-O 3.2Å; V376-I420 WeakPolarHBondContact CG1-O 3.48Å; V376-I420 HydrophobicContact CG2-CB 4.39Å; V376-A422 HydrophobicContact CG1-CB 3.78Å; V376-F425 HydrophobicContact CG1-CE1 4.46Å
377	Y	93.9	Very high	87.6	Confident	43 Å²	43	58.3 Å²	58.3	17%	0.169	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	131	166.4	-61.7	-67.1	0	0	0	110.1	K353 Q354 M355 I375 H419 I420 A422	K353-Y377 HydrophobicContact CD-CD1 4.23Å; K353-Y377 HydrophobicContact CG-CD1 4.25Å; Q354-Y377 CarbonylContact O-C 3.6Å; Q354-Y377 WeakPolarHBondContact O-CA 3.5Å; M355-Y377 HydrophobicContact CB-CD1 3.88Å; M355-Y377 HydrophobicContact CB-CE1 3.71Å; M355-Y377 HydrophobicContact CG-CD1 4.05Å; M355-Y377 HydrophobicContact CG-CE1 3.62Å; M355-Y377 HydrophobicContact SD-CE1 4.33Å; I375-Y377 HydrophobicContact CG2-CE1 4.38Å; Y377-H419 HydrophobicContact CD2-CB 4.24Å; Y377-H419 AromaticContact CD2-CD2 3.42Å; Y377-H419 VanDerWaalsContact CD2-CD2 3.42Å; Y377-H419 WeakPolarHBondContact CD2-CD2 3.37Å; Y377-H419 AromaticContact CD2-CG 3.96Å; Y377-H419 HydrophobicContact CE2-CB 3.91Å; Y377-H419 AromaticContact CE2-CD2 3.45Å; Y377-H419 VanDerWaalsContact CE2-CD2 3.45Å; Y377-H419 WeakPolarHBondContact CE2-CD2 3.32Å; Y377-H419 AromaticContact CE2-CG 3.59Å; Y377-H419 AromaticContact CE2-NE2 3.99Å; Y377-I420 PolarHBondContact N-O 2.95Å; Y377-A422 PolarHBondContact O-N 3.02Å
378	A	92.1	Very high	87.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	147.6	165.6	0	0	0	0	0	109.3	K353 Q354 I356 L382 V383 F425	K353-A378 WeakPolarHBondContact CA-O 3.3Å; Q354-A378 HydrophobicContact CB-CB 4.42Å; Q354-A378 PolarHBondContact N-O 2.97Å; Q354-A378 PolarHBondContact O-N 3.28Å; I356-A378 HydrophobicContact CD1-CB 4.11Å; A378-L382 HydrophobicContact CB-CB 4.11Å; A378-V383 HydrophobicContact CB-CG2 4.35Å; A378-F425 HydrophobicContact CB-CE2 3.98Å; A378-F425 HydrophobicContact CB-CZ 4.05Å
379	H	90.8	Very high	87.3	Confident	49 Å²	49	53.4 Å²	53.4	23%	0.227	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	141.1	-176.2	-70.9	-87	0	0	0	110.7	E302 D352 D381 L382	E302-H379 IonicContact OE2-CE1 2.79Å; D352-H379 WeakPolarHBondContact O-CA 3.48Å; H379-D381 PolarHBondContact O-N 3.41Å; H379-L382 WeakPolarHBondContact O-CB 3.28Å; H379-L382 PolarHBondContact O-N 3Å; H379-L382 VanDerWaalsContact O-N 3.1Å
380	N	87.5	Confident	87.1	Confident	74 Å²	74	49.8 Å²	49.8	40%	0.396	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	50.9	-126.1	174.4	-54.6	-28.5	0	0	0	112.1	S351 D352 L382 V383	S351-N380 VanDerWaalsContact CB-OD1 3.31Å; S351-N380 WeakPolarHBondContact CB-OD1 3.4Å; D352-N380 PolarHBondContact O-N 2.86Å; N380-L382 PolarHBondContact O-N 3.46Å; N380-L382 VanDerWaalsContact O-N 3.08Å; N380-V383 WeakPolarHBondContact O-CB 3.27Å; N380-V383 VanDerWaalsContact O-CG2 3.29Å; N380-V383 WeakPolarHBondContact O-CG2 3.34Å; N380-V383 PolarHBondContact O-N 2.67Å
381	D	84.9	Confident	87	Confident	68 Å²	68	46.6 Å²	46.6	36%	0.364	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-58	-20.1	-179.6	167	67.8	0	0	0	114.4	R265 H379 V383 K385	R265-D381 IonicContact CZ-OD2 3.19Å; R265-D381 IonicContact NH1-OD2 3.5Å; R265-D381 PolarHBondContact NH1-OD2 3.06Å; R265-D381 IonicContact NH2-OD2 3.67Å; R265-D381 PolarHBondContact NH2-OD2 2.85Å; H379-D381 PolarHBondContact O-N 3.41Å; D381-V383 PolarHBondContact O-N 3.36Å; D381-K385 WeakPolarHBondContact O-CE 3.35Å; D381-K385 WeakPolarHBondContact O-CG 3.42Å; D381-K385 WeakPolarHBondContact OD1-CE 3.33Å; D381-K385 IonicContact OD1-NZ 2.75Å; D381-K385 PolarHBondContact OD1-NZ 3.14Å; D381-K385 IonicContact OD2-NZ 2.68Å
382	L	85.8	Confident	87	Confident	15 Å²	15	44.4 Å²	44.4	8%	0.079	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-74.9	-7.8	176	-64.9	172.9	0	0	0	113.6	A378 H379 N380 A422 I423 F425	A378-L382 HydrophobicContact CB-CB 4.11Å; H379-L382 WeakPolarHBondContact O-CB 3.28Å; H379-L382 PolarHBondContact O-N 3Å; H379-L382 VanDerWaalsContact O-N 3.1Å; N380-L382 PolarHBondContact O-N 3.46Å; N380-L382 VanDerWaalsContact O-N 3.08Å; L382-A422 VanDerWaalsContact CD1-O 3.31Å; L382-A422 WeakPolarHBondContact CD1-O 3.41Å; L382-I423 WeakPolarHBondContact CD1-O 3.44Å; L382-F425 HydrophobicContact CB-CD2 4.38Å; L382-F425 HydrophobicContact CB-CE2 3.99Å; L382-F425 HydrophobicContact CD2-CD2 4.14Å
383	V	89.5	Confident	87.1	Confident	19 Å²	19	42.9 Å²	42.9	12%	0.115	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	138.8	178.5	175.5	0	0	0	0	110.8	L299 D352 Q354 A378 N380 D381 K385	L299-V383 HydrophobicContact CD2-CB 4.47Å; L299-V383 HydrophobicContact CD2-CG1 3.54Å; L299-V383 HydrophobicContact CG-CG1 3.94Å; D352-V383 HydrophobicContact CB-CG2 4.33Å; Q354-V383 HydrophobicContact CB-CB 4.29Å; Q354-V383 HydrophobicContact CB-CG1 3.75Å; Q354-V383 HydrophobicContact CB-CG2 3.85Å; Q354-V383 HydrophobicContact CG-CG1 4.27Å; A378-V383 HydrophobicContact CB-CG2 4.35Å; N380-V383 WeakPolarHBondContact O-CB 3.27Å; N380-V383 VanDerWaalsContact O-CG2 3.29Å; N380-V383 WeakPolarHBondContact O-CG2 3.34Å; N380-V383 PolarHBondContact O-N 2.67Å; D381-V383 PolarHBondContact O-N 3.36Å; V383-K385 PolarHBondContact O-N 3.19Å
384	D	87.1	Confident	87.1	Confident	89 Å²	89	39.1 Å²	39.1	48%	0.476	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	2.4	177.6	-139.7	38.5	0	0	0	117.3	V386 Q387	D384-V386 PolarHBondContact O-N 3.34Å; D384-Q387 PolarHBondContact O-NE2 2.76Å
385	K	84.4	Confident	87.1	Confident	111 Å²	111	38.4 Å²	38.4	48%	0.483	20%	0.202	S	C	.	.	S	Bend	trans	-63	-19.6	173	-62.1	-74.5	-177.8	172.5	0	114	D381 V383 K427	D381-K385 WeakPolarHBondContact O-CE 3.35Å; D381-K385 WeakPolarHBondContact O-CG 3.42Å; D381-K385 WeakPolarHBondContact OD1-CE 3.33Å; D381-K385 IonicContact OD1-NZ 2.75Å; D381-K385 PolarHBondContact OD1-NZ 3.14Å; D381-K385 IonicContact OD2-NZ 2.68Å; V383-K385 PolarHBondContact O-N 3.19Å; K385-K427 WeakPolarHBondContact O-CE 3.43Å; K385-K427 PolarHBondContact O-NZ 3.1Å
386	V	85.3	Confident	87.1	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.012	20%	0.195	C	C	.	.	S	Bend	trans	-122.8	128.1	-176.1	-171.9	0	0	0	0	110.3	V293 T296 D384 D390 V392 F425	V293-V386 HydrophobicContact CB-CG1 4.34Å; V293-V386 HydrophobicContact CG2-CG1 3.56Å; T296-V386 WeakPolarHBondContact CG2-O 3.45Å; D384-V386 PolarHBondContact O-N 3.34Å; V386-D390 HydrophobicContact CG1-CB 3.82Å; V386-V392 HydrophobicContact CG1-CG1 3.54Å; V386-V392 HydrophobicContact CG1-CG2 4.32Å; V386-V392 HydrophobicContact CG2-CG1 4.1Å; V386-F425 HydrophobicContact CG2-CB 4Å; V386-F425 HydrophobicContact CG2-CD1 4.14Å; V386-F425 HydrophobicContact CG2-CD2 3.74Å; V386-F425 HydrophobicContact CG2-CE2 4.19Å; V386-F425 HydrophobicContact CG2-CG 3.71Å
387	Q	83.5	Confident	87	Confident	79 Å²	79	37.7 Å²	37.7	37%	0.369	20%	0.198	S	C	.	.			trans	-99	156.8	-178.5	-66.4	-59.8	-37.5	0	0	112.1	D384 G389 D390	D384-Q387 PolarHBondContact O-NE2 2.76Å; Q387-G389 PolarHBondContact O-N 3.09Å; Q387-D390 PolarHBondContact N-OD2 2.59Å; Q387-D390 WeakPolarHBondContact O-CB 3.43Å; Q387-D390 PolarHBondContact O-N 3.31Å
388	P	83.5	Confident	87	Confident	51 Å²	51	36.5 Å²	36.5	33%	0.331	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	126.2	174.1	-22.7	34.4	0	0	0	112
389	G	76.6	Confident	86.9	Confident	38 Å²	38	39.6 Å²	39.6	39%	0.392	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	105.6	-20.9	-175	0	0	0	0	0	114.3	V293 Q387	V293-G389 PolarHBondContact O-N 3.21Å; Q387-G389 PolarHBondContact O-N 3.09Å
390	D	81.9	Confident	87	Confident	33 Å²	33	38.8 Å²	38.8	18%	0.176	21%	0.207	C	C	.	.			trans	-62.8	141.9	-179.1	-68.7	3	0	0	0	111.6	M292 V293 V386 Q387 V392 K427	M292-D390 WeakPolarHBondContact CA-O 3.13Å; V293-D390 PolarHBondContact N-O 3.1Å; V386-D390 HydrophobicContact CG1-CB 3.82Å; Q387-D390 PolarHBondContact N-OD2 2.59Å; Q387-D390 WeakPolarHBondContact O-CB 3.43Å; Q387-D390 PolarHBondContact O-N 3.31Å; D390-V392 HydrophobicContact CB-CG1 4.2Å; D390-K427 IonicContact OD2-NZ 3.66Å; D390-K427 PolarHBondContact OD2-NZ 2.89Å
391	R	82.9	Confident	87.1	Confident	45 Å²	45	38.9 Å²	38.9	17%	0.17	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	112.2	169.8	-66.5	-178.1	178.8	-148.9	1.3	109	M292 E363 T428	M292-R391 HydrophobicContact CE-CG 4.36Å; E363-R391 IonicContact OE1-CZ 3.88Å; E363-R391 IonicContact OE1-NH1 3.67Å; E363-R391 PolarHBondContact OE1-NH1 2.89Å; E363-R391 IonicContact OE1-NH2 3.8Å; R391-T428 PolarHBondContact O-N 2.87Å
392	V	86.6	Confident	87.4	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.5	-175.3	-65.6	0	0	0	0	112.9	G291 V293 L358 V386 D390 I394 R426 K427	G291-V392 PolarHBondContact N-O 3.2Å; G291-V392 PolarHBondContact O-N 3.47Å; V293-V392 HydrophobicContact CG2-CG2 3.91Å; L358-V392 HydrophobicContact CD1-CG2 3.63Å; V386-V392 HydrophobicContact CG1-CG1 3.54Å; V386-V392 HydrophobicContact CG1-CG2 4.32Å; V386-V392 HydrophobicContact CG2-CG1 4.1Å; D390-V392 HydrophobicContact CB-CG1 4.2Å; V392-I394 HydrophobicContact CB-CG1 4.46Å; V392-I394 HydrophobicContact CG2-CD1 4.1Å; V392-I394 HydrophobicContact CG2-CG1 3.84Å; V392-R426 WeakPolarHBondContact CA-O 3.44Å; V392-K427 HydrophobicContact CG1-CG 4.26Å
393	N	88.3	Confident	87.4	Confident	58 Å²	58	41.5 Å²	41.5	31%	0.31	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	111	163.8	-72.3	-15	0	0	0	107.7	I289 S290 R426 T428	I289-N393 CarbonylContact O-C 3.5Å; I289-N393 WeakPolarHBondContact O-CA 3.31Å; S290-N393 WeakPolarHBondContact CA-OD1 3.39Å; S290-N393 VanDerWaalsContact CB-OD1 3.29Å; S290-N393 WeakPolarHBondContact CB-OD1 3.42Å; N393-R426 HydrophobicContact CB-CB 4.37Å; N393-R426 PolarHBondContact N-O 2.91Å; N393-R426 PolarHBondContact O-N 2.72Å; N393-T428 VanDerWaalsContact CG-OG1 3.23Å; N393-T428 PolarHBondContact ND2-OG1 3.22Å
394	I	89.5	Confident	87.2	Confident	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	124	-178.7	-48	-175.6	0	0	0	108.2	T288 I289 L358 V376 V392 A422 F425	T288-I394 WeakPolarHBondContact CA-O 3.25Å; I289-I394 HydrophobicContact CG1-CB 4.06Å; I289-I394 PolarHBondContact N-O 3.23Å; I289-I394 PolarHBondContact O-N 2.76Å; L358-I394 HydrophobicContact CB-CD1 4.43Å; L358-I394 HydrophobicContact CD1-CD1 3.95Å; L358-I394 HydrophobicContact CD2-CD1 3.41Å; L358-I394 VanDerWaalsContact CD2-CD1 3.41Å; L358-I394 HydrophobicContact CD2-CG1 4.03Å; L358-I394 HydrophobicContact CG-CD1 4.12Å; V376-I394 HydrophobicContact CB-CD1 4.42Å; V376-I394 HydrophobicContact CG1-CD1 4.19Å; V376-I394 HydrophobicContact CG1-CG2 4.23Å; V376-I394 HydrophobicContact CG2-CD1 3.79Å; V392-I394 HydrophobicContact CB-CG1 4.46Å; V392-I394 HydrophobicContact CG2-CD1 4.1Å; V392-I394 HydrophobicContact CG2-CG1 3.84Å; I394-A422 HydrophobicContact CG2-CB 3.9Å; I394-F425 HydrophobicContact CB-CD1 4.3Å; I394-F425 HydrophobicContact CB-CE1 4.36Å; I394-F425 HydrophobicContact CD1-CD1 4.34Å; I394-F425 HydrophobicContact CD1-CE1 3.91Å; I394-F425 HydrophobicContact CG1-CD1 3.86Å; I394-F425 HydrophobicContact CG1-CE1 3.92Å; I394-F425 HydrophobicContact CG2-CD1 3.99Å; I394-F425 HydrophobicContact CG2-CE1 3.73Å
395	T	90.4	Very high	87.1	Confident	4 Å²	4	47.7 Å²	47.7	3%	0.025	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.5	165.2	-48.3	0	0	0	0	108.1	P266 L286 T288 I423 H424	P266-T395 WeakPolarHBondContact O-CG2 3.33Å; L286-T395 HydrophobicContact CD1-CG2 3.99Å; L286-T395 HydrophobicContact CD2-CG2 4.28Å; L286-T395 HydrophobicContact CG-CG2 4.07Å; T288-T395 HydrophobicContact CG2-CG2 4.01Å; T288-T395 WeakPolarHBondContact CG2-OG1 3.42Å; T395-I423 PolarHBondContact O-N 2.94Å; T395-H424 PolarHBondContact N-O 3.46Å; T395-H424 PolarHBondContact O-N 3.49Å; T395-H424 VanDerWaalsContact O-N 3.12Å
396	G	91.4	Very high	87.2	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	173.7	-173.9	0	0	0	0	0	114.5	I287 D421	I287-G396 PolarHBondContact N-O 2.95Å; I287-G396 PolarHBondContact O-N 3.38Å; G396-D421 CarbonylContact C-O 3.45Å; G396-D421 WeakPolarHBondContact CA-O 3.21Å
397	I	92.3	Very high	87.1	Confident	12 Å²	12	51.6 Å²	51.6	6%	0.062	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	128.3	180	-56.9	172	0	0	0	108.8	P234 Q235 L286 R399 I420 D421 I423	P234-I397 HydrophobicContact CB-CD1 4.09Å; P234-I397 HydrophobicContact CB-CG1 4.23Å; P234-I397 HydrophobicContact CG-CD1 3.95Å; P234-I397 HydrophobicContact CG-CG1 3.88Å; Q235-I397 HydrophobicContact CG-CD1 3.73Å; L286-I397 HydrophobicContact CD1-CG1 4.48Å; I397-R399 HydrophobicContact CG2-CG 4.28Å; I397-R399 PolarHBondContact O-N 3.27Å; I397-I420 WeakPolarHBondContact O-CA 3.31Å; I397-D421 PolarHBondContact N-O 3.12Å; I397-D421 PolarHBondContact O-N 3.26Å; I397-I423 HydrophobicContact CD1-CD1 3.95Å; I397-I423 HydrophobicContact CG1-CD1 3.67Å
398	Y	92.1	Very high	87.3	Confident	18 Å²	18	59.6 Å²	59.6	7%	0.071	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	115.9	178.3	-174.6	-131.2	0	0	0	111.6	L278 I283 D284 Q285 I287 T418 I420	L278-Y398 HydrophobicContact CB-CE1 4.43Å; L278-Y398 HydrophobicContact CD1-CE2 4.06Å; I283-Y398 HydrophobicContact CG1-CD1 4Å; I283-Y398 HydrophobicContact CG1-CE1 4.08Å; D284-Y398 PolarHBondContact N-O 3.33Å; Q285-Y398 PolarHBondContact O-N 2.76Å; I287-Y398 HydrophobicContact CD1-CD1 4.32Å; I287-Y398 HydrophobicContact CD1-CG 4.1Å; Y398-T418 HydrophobicContact CE1-CG2 4.44Å; Y398-T418 HydrophobicContact CE2-CG2 4.14Å; Y398-T418 WeakPolarHBondContact OH-CB 3.39Å; Y398-T418 WeakPolarHBondContact OH-CG2 3.36Å; Y398-T418 PolarHBondContact OH-OG1 3.38Å; Y398-I420 HydrophobicContact CD2-CG1 3.81Å
399	R	91.6	Very high	87.5	Confident	65 Å²	65	62.1 Å²	62.1	25%	0.245	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	145.6	-176.2	-67.5	-161.1	-172.3	-85.8	10.8	113.1	Q235 D284 I397 T418 H419 D421	Q235-R399 VanDerWaalsContact NE2-NH1 3.16Å; D284-R399 IonicContact OD1-NH1 3.85Å; D284-R399 PolarHBondContact OD1-NH1 2.98Å; D284-R399 VanDerWaalsContact OD1-NH1 3.1Å; I397-R399 HydrophobicContact CG2-CG 4.28Å; I397-R399 PolarHBondContact O-N 3.27Å; R399-T418 CarbonylContact O-C 3.59Å; R399-T418 VanDerWaalsContact O-CA 3.27Å; R399-T418 WeakPolarHBondContact O-CA 3.35Å; R399-H419 PolarHBondContact N-O 3.07Å; R399-H419 PolarHBondContact O-N 2.85Å; R399-H419 VanDerWaalsContact O-O 3.13Å; R399-D421 WeakPolarHBondContact CD-OD2 3.34Å; R399-D421 IonicContact CZ-OD2 3.37Å; R399-D421 IonicContact NE-OD2 3.38Å; R399-D421 PolarHBondContact NE-OD2 3.45Å
400	A	91.4	Very high	88	Confident	32 Å²	32	65.4 Å²	65.4	26%	0.264	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	114.1	175.6	0	0	0	0	0	110.5	I283 Y416 T418	I283-A400 HydrophobicContact CD1-CB 4.16Å; A400-Y416 HydrophobicContact CB-CD1 4.31Å; A400-Y416 HydrophobicContact CB-CG 4.49Å; A400-T418 HydrophobicContact CB-CG2 4.12Å
401	V	90	Very high	88.4	Confident	76 Å²	76	68.5 Å²	68.5	46%	0.461	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133	179.2	157.6	0	0	0	0	111.3	K417	V401-K417 PolarHBondContact N-O 3.08Å; V401-K417 PolarHBondContact O-N 3.04Å
402	P	91.8	Very high	88.8	Confident	56 Å²	56	70.1 Å²	70.1	36%	0.364	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	133.2	-179.6	27.2	-33.1	0	0	0	111.5	V412 Y416	P402-V412 HydrophobicContact CB-CB 4.27Å; P402-V412 HydrophobicContact CB-CG1 4.16Å; P402-Y416 HydrophobicContact CB-CD1 3.94Å; P402-Y416 HydrophobicContact CB-CE1 3.64Å; P402-Y416 HydrophobicContact CG-CD1 4.4Å; P402-Y416 HydrophobicContact CG-CE1 3.98Å
403	M	85	Confident	88.8	Confident	82 Å²	82	74.2 Å²	74.2	40%	0.404	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	131.7	174.7	-174.2	-175.7	-67.3	0	0	110.4	K413 K417	M403-K413 HydrophobicContact CB-CD 4.29Å; M403-K413 HydrophobicContact CG-CD 4.29Å; M403-K413 WeakPolarHBondContact O-CB 3.46Å; M403-K413 PolarHBondContact O-N 2.73Å; M403-K413 HydrophobicContact SD-CD 4.06Å; M403-K413 PolarHBondContact SD-NZ 3.28Å; M403-K413 VanDerWaalsContact SD-NZ 3.42Å; M403-K417 HydrophobicContact CE-CB 4.34Å; M403-K417 HydrophobicContact CE-CD 4.36Å
404	R	86.4	Confident	88.9	Confident	163 Å²	163	77.1 Å²	77.1	62%	0.615	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.6	142.2	171.9	-63.5	-177.6	-173	161.1	5.5	110.6	V412	R404-V412 HydrophobicContact CG-CG1 4.48Å
405	V	84.8	Confident	89	Confident	75 Å²	75	82.7 Å²	82.7	46%	0.455	44%	0.44	S	S	.	.	S	Bend	trans	-68.6	-49.3	176.8	179.8	0	0	0	0	110.3	N411 K413	V405-N411 PolarHBondContact N-O 3.42Å; V405-K413 HydrophobicContact CG2-CG 3.59Å
406	N	86.8	Confident	89.1	Confident	78 Å²	78	88.4 Å²	88.4	42%	0.417	46%	0.462	S	S	.	.	S	Bend	trans	-126	135.9	175.3	-77.3	-39.7	0	0	0	108.2	R408 Q409	N406-R408 PolarHBondContact O-N 3.08Å; N406-R408 VanDerWaalsContact O-N 3.14Å; N406-Q409 HydrophobicContact CB-CB 4.33Å; N406-Q409 PolarHBondContact ND2-OE1 2.68Å; N406-Q409 PolarHBondContact O-N 3.47Å; N406-Q409 VanDerWaalsContact O-N 3.15Å; N406-Q409 VanDerWaalsContact O-O 3.05Å
407	P	83.6	Confident	89	Confident	117 Å²	117	92.3 Å²	92.3	76%	0.76	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-22.2	-178.8	25.3	-34.3	0	0	0	113.5
408	R	86.8	Confident	89	Confident	247 Å²	247	94.4 Å²	94.4	93%	0.932	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-12.4	178.5	-67.6	-175.4	175.4	-176.6	-1.5	114.9	N406	N406-R408 PolarHBondContact O-N 3.08Å; N406-R408 VanDerWaalsContact O-N 3.14Å
409	Q	87.4	Confident	89	Confident	103 Å²	103	94.3 Å²	94.3	48%	0.481	49%	0.492	S	S	.	.	S	Bend	trans	-119.2	147.9	-176.3	-71.1	174.7	-29.9	0	0	110	N406 N411	N406-Q409 HydrophobicContact CB-CB 4.33Å; N406-Q409 PolarHBondContact ND2-OE1 2.68Å; N406-Q409 PolarHBondContact O-N 3.47Å; N406-Q409 VanDerWaalsContact O-N 3.15Å; N406-Q409 VanDerWaalsContact O-O 3.05Å; Q409-N411 PolarHBondContact O-N 3.34Å
410	S	87.7	Confident	89.1	Confident	107 Å²	107	91.3 Å²	91.3	75%	0.748	48%	0.481	S	S	*	.			trans	-72.1	-5.9	177.8	47.4	0	0	0	0	114.1	V412	S410-V412 PolarHBondContact O-N 3.08Å
411	N	89.9	Confident	89.2	Confident	99 Å²	99	91 Å²	91	53%	0.529	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-67.5	116.5	-178.4	-68.1	-12.8	0	0	0	111.7	V405 Q409	V405-N411 PolarHBondContact N-O 3.42Å; Q409-N411 PolarHBondContact O-N 3.34Å
412	V	91	Very high	89.2	Confident	79 Å²	79	87.7 Å²	87.7	48%	0.479	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	151.9	174.3	-66.7	0	0	0	0	111.6	P402 R404 S410	P402-V412 HydrophobicContact CB-CB 4.27Å; P402-V412 HydrophobicContact CB-CG1 4.16Å; R404-V412 HydrophobicContact CG-CG1 4.48Å; S410-V412 PolarHBondContact O-N 3.08Å
413	K	87.8	Confident	89.2	Confident	87 Å²	87	86.3 Å²	86.3	38%	0.378	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	143.9	168	-67.5	179.1	-176.2	178	0	109.4	M403 V405 V415	M403-K413 HydrophobicContact CB-CD 4.29Å; M403-K413 HydrophobicContact CG-CD 4.29Å; M403-K413 WeakPolarHBondContact O-CB 3.46Å; M403-K413 PolarHBondContact O-N 2.73Å; M403-K413 HydrophobicContact SD-CD 4.06Å; M403-K413 PolarHBondContact SD-NZ 3.28Å; M403-K413 VanDerWaalsContact SD-NZ 3.42Å; V405-K413 HydrophobicContact CG2-CG 3.59Å; K413-V415 PolarHBondContact O-N 2.98Å
414	S	89.4	Confident	89.4	Confident	119 Å²	119	83.4 Å²	83.4	83%	0.832	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	-20	172.4	-43.4	0	0	0	0	113.3	Y416	S414-Y416 WeakPolarHBondContact O-CD2 3.25Å
415	V	91.3	Very high	89.4	Confident	118 Å²	118	77 Å²	77	72%	0.715	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.3	173.3	-176.8	0	0	0	0	108.8	K413	K413-V415 PolarHBondContact O-N 2.98Å
416	Y	91.8	Very high	89.4	Confident	123 Å²	123	77.7 Å²	77.7	48%	0.482	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	145.7	177.6	-71.6	-116.2	0	0	0	109.7	A400 P402 S414	A400-Y416 HydrophobicContact CB-CD1 4.31Å; A400-Y416 HydrophobicContact CB-CG 4.49Å; P402-Y416 HydrophobicContact CB-CD1 3.94Å; P402-Y416 HydrophobicContact CB-CE1 3.64Å; P402-Y416 HydrophobicContact CG-CD1 4.4Å; P402-Y416 HydrophobicContact CG-CE1 3.98Å; S414-Y416 WeakPolarHBondContact O-CD2 3.25Å
417	K	90.7	Very high	89.1	Confident	82 Å²	82	78.3 Å²	78.3	36%	0.357	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	120.5	170.9	-176	-172.2	175.2	-168.4	0	108.1	I375 V401 M403	I375-K417 VanDerWaalsContact CD1-CE 3.44Å; V401-K417 PolarHBondContact N-O 3.08Å; V401-K417 PolarHBondContact O-N 3.04Å; M403-K417 HydrophobicContact CE-CB 4.34Å; M403-K417 HydrophobicContact CE-CD 4.36Å
418	T	91.5	Very high	88.4	Confident	56 Å²	56	74.5 Å²	74.5	34%	0.344	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	151.5	177.5	55.4	0	0	0	0	111.7	Y398 R399 A400	Y398-T418 HydrophobicContact CE1-CG2 4.44Å; Y398-T418 HydrophobicContact CE2-CG2 4.14Å; Y398-T418 WeakPolarHBondContact OH-CB 3.39Å; Y398-T418 WeakPolarHBondContact OH-CG2 3.36Å; Y398-T418 PolarHBondContact OH-OG1 3.38Å; R399-T418 CarbonylContact O-C 3.59Å; R399-T418 VanDerWaalsContact O-CA 3.27Å; R399-T418 WeakPolarHBondContact O-CA 3.35Å; A400-T418 HydrophobicContact CB-CG2 4.12Å
419	H	93.4	Very high	87.2	Confident	16 Å²	16	65 Å²	65	7%	0.074	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	168.9	175.1	54.8	-80.5	0	0	0	108.8	I375 Y377 R399 D421	I375-H419 HydrophobicContact CB-CB 4.5Å; I375-H419 HydrophobicContact CG2-CB 4.49Å; I375-H419 VanDerWaalsContact O-CA 3.24Å; I375-H419 WeakPolarHBondContact O-CA 3.4Å; I375-H419 WeakPolarHBondContact O-CB 3.23Å; Y377-H419 HydrophobicContact CD2-CB 4.24Å; Y377-H419 AromaticContact CD2-CD2 3.42Å; Y377-H419 VanDerWaalsContact CD2-CD2 3.42Å; Y377-H419 WeakPolarHBondContact CD2-CD2 3.37Å; Y377-H419 AromaticContact CD2-CG 3.96Å; Y377-H419 HydrophobicContact CE2-CB 3.91Å; Y377-H419 AromaticContact CE2-CD2 3.45Å; Y377-H419 VanDerWaalsContact CE2-CD2 3.45Å; Y377-H419 WeakPolarHBondContact CE2-CD2 3.32Å; Y377-H419 AromaticContact CE2-CG 3.59Å; Y377-H419 AromaticContact CE2-NE2 3.99Å; R399-H419 PolarHBondContact N-O 3.07Å; R399-H419 PolarHBondContact O-N 2.85Å; R399-H419 VanDerWaalsContact O-O 3.13Å; H419-D421 IonicContact CD2-OD1 3.33Å; H419-D421 PolarHBondContact CD2-OD1 2.96Å; H419-D421 IonicContact NE2-OD1 3.33Å
420	I	92.1	Very high	85.6	Confident	2 Å²	2	66 Å²	66	1%	0.01	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.4	175.6	-64.7	165.5	0	0	0	108.2	I289 T374 I375 V376 Y377 I397 Y398	I289-I420 HydrophobicContact CD1-CD1 3.4Å; I289-I420 HydrophobicContact CG1-CD1 4.15Å; I289-I420 HydrophobicContact CG2-CD1 4.39Å; T374-I420 HydrophobicContact CG2-CD1 3.92Å; T374-I420 HydrophobicContact CG2-CG1 4.38Å; I375-I420 PolarHBondContact O-N 2.97Å; V376-I420 CarbonylContact C-O 3.59Å; V376-I420 WeakPolarHBondContact CA-O 3.2Å; V376-I420 WeakPolarHBondContact CG1-O 3.48Å; V376-I420 HydrophobicContact CG2-CB 4.39Å; Y377-I420 PolarHBondContact N-O 2.95Å; I397-I420 WeakPolarHBondContact O-CA 3.31Å; Y398-I420 HydrophobicContact CD2-CG1 3.81Å
421	D	93.1	Very high	83.9	Confident	25 Å²	25	67.4 Å²	67.4	13%	0.134	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	117.2	168.1	-67.5	-9.6	0	0	0	107.5	G396 I397 R399 H419	G396-D421 CarbonylContact C-O 3.45Å; G396-D421 WeakPolarHBondContact CA-O 3.21Å; I397-D421 PolarHBondContact N-O 3.12Å; I397-D421 PolarHBondContact O-N 3.26Å; R399-D421 WeakPolarHBondContact CD-OD2 3.34Å; R399-D421 IonicContact CZ-OD2 3.37Å; R399-D421 IonicContact NE-OD2 3.38Å; R399-D421 PolarHBondContact NE-OD2 3.45Å; H419-D421 IonicContact CD2-OD1 3.33Å; H419-D421 PolarHBondContact CD2-OD1 2.96Å; H419-D421 IonicContact NE2-OD1 3.33Å
422	A	91.8	Very high	82.4	Confident	7 Å²	7	64 Å²	64	6%	0.058	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	133.5	-178.6	0	0	0	0	0	111.3	V376 Y377 L382 I394 F425	V376-A422 HydrophobicContact CG1-CB 3.78Å; Y377-A422 PolarHBondContact O-N 3.02Å; L382-A422 VanDerWaalsContact CD1-O 3.31Å; L382-A422 WeakPolarHBondContact CD1-O 3.41Å; I394-A422 HydrophobicContact CG2-CB 3.9Å; A422-F425 HydrophobicContact CB-CD1 4.44Å; A422-F425 HydrophobicContact CB-CE1 3.58Å; A422-F425 HydrophobicContact CB-CE2 4.17Å; A422-F425 HydrophobicContact CB-CZ 3.41Å; A422-F425 VanDerWaalsContact CB-CZ 3.41Å
423	I	90.4	Very high	80.8	Confident	28 Å²	28	60.6 Å²	60.6	14%	0.144	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	-34.5	171.3	-65.4	159.9	0	0	0	110.5	I238 P266 L286 L382 T395 I397	I238-I423 HydrophobicContact CD1-CD1 3.61Å; I238-I423 HydrophobicContact CD1-CG1 4.46Å; P266-I423 HydrophobicContact CG-CG2 4.1Å; L286-I423 HydrophobicContact CD1-CD1 3.54Å; L382-I423 WeakPolarHBondContact CD1-O 3.44Å; T395-I423 PolarHBondContact O-N 2.94Å; I397-I423 HydrophobicContact CD1-CD1 3.95Å; I397-I423 HydrophobicContact CG1-CD1 3.67Å
424	H	89	Confident	79.4	Confident	21 Å²	21	60.3 Å²	60.3	10%	0.097	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	141.7	-179.8	179.8	91.7	0	0	0	111.4	N213 R265 Y267 T395	N213-H424 PolarHBondContact OD1-ND1 2.84Å; R265-H424 HydrophobicContact CB-CB 4.35Å; Y267-H424 WeakPolarHBondContact CB-CD2 3.44Å; T395-H424 PolarHBondContact N-O 3.46Å; T395-H424 PolarHBondContact O-N 3.49Å; T395-H424 VanDerWaalsContact O-N 3.12Å
425	F	87.6	Confident	77.6	Confident	27 Å²	27	55.5 Å²	55.5	12%	0.118	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	119.6	171.8	-63.4	-57.3	0	0	0	109.4	I356 V376 A378 L382 V386 I394 A422	I356-F425 HydrophobicContact CD1-CE2 4.42Å; I356-F425 HydrophobicContact CD1-CZ 3.9Å; V376-F425 HydrophobicContact CG1-CE1 4.46Å; A378-F425 HydrophobicContact CB-CE2 3.98Å; A378-F425 HydrophobicContact CB-CZ 4.05Å; L382-F425 HydrophobicContact CB-CD2 4.38Å; L382-F425 HydrophobicContact CB-CE2 3.99Å; L382-F425 HydrophobicContact CD2-CD2 4.14Å; V386-F425 HydrophobicContact CG2-CB 4Å; V386-F425 HydrophobicContact CG2-CD1 4.14Å; V386-F425 HydrophobicContact CG2-CD2 3.74Å; V386-F425 HydrophobicContact CG2-CE2 4.19Å; V386-F425 HydrophobicContact CG2-CG 3.71Å; I394-F425 HydrophobicContact CB-CD1 4.3Å; I394-F425 HydrophobicContact CB-CE1 4.36Å; I394-F425 HydrophobicContact CD1-CD1 4.34Å; I394-F425 HydrophobicContact CD1-CE1 3.91Å; I394-F425 HydrophobicContact CG1-CD1 3.86Å; I394-F425 HydrophobicContact CG1-CE1 3.92Å; I394-F425 HydrophobicContact CG2-CD1 3.99Å; I394-F425 HydrophobicContact CG2-CE1 3.73Å; A422-F425 HydrophobicContact CB-CD1 4.44Å; A422-F425 HydrophobicContact CB-CE1 3.58Å; A422-F425 HydrophobicContact CB-CE2 4.17Å; A422-F425 HydrophobicContact CB-CZ 3.41Å; A422-F425 VanDerWaalsContact CB-CZ 3.41Å
426	R	84.4	Confident	75.6	Confident	90 Å²	90	52.9 Å²	52.9	34%	0.34	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	119.8	165.2	172	170	171.4	151.9	-4.2	108.5	V392 N393 E430	V392-R426 WeakPolarHBondContact CA-O 3.44Å; N393-R426 HydrophobicContact CB-CB 4.37Å; N393-R426 PolarHBondContact N-O 2.91Å; N393-R426 PolarHBondContact O-N 2.72Å; R426-E430 IonicContact CZ-OE1 3.73Å; R426-E430 IonicContact NE-OE1 2.8Å; R426-E430 IonicContact NH2-OE1 2.65Å; R426-E430 PolarHBondContact NH2-OE1 3.47Å
427	K	81.4	Confident	73.6	Confident	91 Å²	91	52.7 Å²	52.7	40%	0.396	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	138.9	167.5	-58.1	-163.3	-177.3	-158.7	0	108.6	K385 D390 V392	K385-K427 WeakPolarHBondContact O-CE 3.43Å; K385-K427 PolarHBondContact O-NZ 3.1Å; D390-K427 IonicContact OD2-NZ 3.66Å; D390-K427 PolarHBondContact OD2-NZ 2.89Å; V392-K427 HydrophobicContact CG1-CG 4.26Å
428	T	67.5	Low	71.6	Confident	38 Å²	38	50.5 Å²	50.5	23%	0.233	25%	0.248	C	C	.	.			trans	-120.5	65.1	-175.5	-48.1	0	0	0	0	109.5	R391 N393	R391-T428 PolarHBondContact O-N 2.87Å; N393-T428 VanDerWaalsContact CG-OG1 3.23Å; N393-T428 PolarHBondContact ND2-OG1 3.22Å
429	D	61	Low	69.3	Low	46 Å²	46	56 Å²	56	25%	0.246	27%	0.27	C	S	.	.			trans	-96.9	8.2	-176.7	-68.9	-54.9	0	0	0	113.4	K431 R432	D429-K431 PolarHBondContact O-N 2.95Å; D429-R432 PolarHBondContact O-N 3.33Å
430	E	54.3	Low	66.9	Low	125 Å²	125	59.1 Å²	59.1	58%	0.584	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.8	-31.1	177.9	-65.1	165.8	-157.7	0	0	114.1	R426 K692	R426-E430 IonicContact CZ-OE1 3.73Å; R426-E430 IonicContact NE-OE1 2.8Å; R426-E430 IonicContact NH2-OE1 2.65Å; R426-E430 PolarHBondContact NH2-OE1 3.47Å; E430-K692 PolarHBondContact O-NZ 2.82Å
431	K	52.4	Low	64.7	Low	137 Å²	137	65.6 Å²	65.6	60%	0.596	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-23.6	177.3	-66.4	-171.8	-176.9	-177	0	114.1	E363 D429 K692	E363-K431 IonicContact OE1-NZ 2.66Å; E363-K431 IonicContact OE2-NZ 2.95Å; E363-K431 PolarHBondContact OE2-NZ 3.5Å; D429-K431 PolarHBondContact O-N 2.95Å; K431-K692 PolarHBondContact O-NZ 3.35Å
432	R	58.2	Low	62.5	Low	28 Å²	28	65.5 Å²	65.5	11%	0.106	33%	0.327	C	S	.	.	S	Bend	trans	-108.5	175.4	-174.8	-72.2	170.9	165.8	-158.9	-10.9	111.6	D429 N529 L530 P532 K692	D429-R432 PolarHBondContact O-N 3.33Å; R432-N529 WeakPolarHBondContact CG-O 3.31Å; R432-L530 CarbonylContact C-O 3.57Å; R432-L530 WeakPolarHBondContact CA-O 3.48Å; R432-P532 HydrophobicContact CB-CB 4.38Å; R432-P532 PolarHBondContact NH1-O 3.2Å; R432-K692 WeakPolarHBondContact O-CD 3.33Å; R432-K692 VanDerWaalsContact O-CE 3.27Å; R432-K692 WeakPolarHBondContact O-CE 3.42Å; R432-K692 PolarHBondContact O-NZ 3.36Å
433	L	57.4	Low	60.3	Low	7 Å²	7	73.7 Å²	73.7	4%	0.037	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-68	155.3	166.9	-58.3	151.7	0	0	0	110.4	L488 L530 V531 P532 K692 I695	L433-L488 HydrophobicContact CD1-CD2 4.23Å; L433-L530 HydrophobicContact CD1-CG 4.24Å; L433-L530 HydrophobicContact CG-CD1 4.46Å; L433-L530 HydrophobicContact CG-CG 4.34Å; L433-L530 WeakPolarHBondContact CG-O 3.28Å; L433-L530 PolarHBondContact N-O 3.27Å; L433-V531 HydrophobicContact CD1-CG2 4.29Å; L433-P532 HydrophobicContact CB-CG 4.22Å; L433-P532 VanDerWaalsContact O-CB 3.24Å; L433-P532 WeakPolarHBondContact O-CB 3.43Å; L433-P532 WeakPolarHBondContact O-CD 3.38Å; L433-P532 WeakPolarHBondContact O-CG 3.27Å; L433-K692 HydrophobicContact CD2-CB 3.84Å; L433-K692 HydrophobicContact CD2-CG 3.66Å; L433-K692 HydrophobicContact CG-CG 4.31Å; L433-I695 HydrophobicContact CD1-CG2 4.39Å; L433-I695 HydrophobicContact CD2-CB 3.94Å; L433-I695 HydrophobicContact CD2-CD1 3.85Å; L433-I695 HydrophobicContact CD2-CG1 4.49Å; L433-I695 HydrophobicContact CD2-CG2 4.07Å
434	H	57.8	Low	58.4	Low	80 Å²	80	78.2 Å²	78.2	37%	0.37	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-58.8	145.9	172.7	-78.3	-84.2	0	0	0	113.3	E438 A696	H434-E438 WeakPolarHBondContact CB-OE2 3.29Å; H434-E438 IonicContact CE1-OE2 3.38Å; H434-E438 IonicContact CG-OE1 3.3Å; H434-E438 IonicContact CG-OE2 3.68Å; H434-E438 IonicContact ND1-OE1 3.64Å; H434-E438 PolarHBondContact ND1-OE1 3.05Å; H434-E438 IonicContact ND1-OE2 3.07Å; H434-E438 PolarHBondContact ND1-OE2 3.4Å; H434-A696 HydrophobicContact CB-CB 4.05Å
435	G	52	Low	57.1	Low	19 Å²	19	79.3 Å²	79.3	20%	0.196	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-77.9	155.5	179.8	0	0	0	0	0	112.7	D437 E438	G435-D437 PolarHBondContact O-N 2.96Å; G435-E438 PolarHBondContact N-OE1 3.15Å
436	L	49.6	Very low	56.2	Low	63 Å²	63	80.1 Å²	80.1	33%	0.33	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-12.9	172.5	-70.3	176	0	0	0	113.2	E438 N572 T700	L436-E438 PolarHBondContact O-N 3.48Å; L436-N572 HydrophobicContact CD1-CB 3.62Å; L436-T700 HydrophobicContact CD2-CG2 4.37Å
437	D	49.7	Very low	55.8	Low	119 Å²	119	83 Å²	83	64%	0.636	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	1	179.1	-54.9	-39.6	0	0	0	111.9	G435 E439 R533	G435-D437 PolarHBondContact O-N 2.96Å; D437-E439 VanDerWaalsContact C-N 3.32Å; D437-E439 PolarHBondContact O-N 3.39Å; D437-R533 IonicContact OD2-NH1 3.35Å
438	E	49.9	Very low	55.7	Low	35 Å²	35	84.7 Å²	84.7	16%	0.164	42%	0.424	C	S	.	.			trans	-88.7	25.5	-179.5	-66	171	-146.3	0	0	113.7	H434 G435 L436 A440 E441 Q442	H434-E438 WeakPolarHBondContact CB-OE2 3.29Å; H434-E438 IonicContact CE1-OE2 3.38Å; H434-E438 IonicContact CG-OE1 3.3Å; H434-E438 IonicContact CG-OE2 3.68Å; H434-E438 IonicContact ND1-OE1 3.64Å; H434-E438 PolarHBondContact ND1-OE1 3.05Å; H434-E438 IonicContact ND1-OE2 3.07Å; H434-E438 PolarHBondContact ND1-OE2 3.4Å; G435-E438 PolarHBondContact N-OE1 3.15Å; L436-E438 PolarHBondContact O-N 3.48Å; E438-A440 PolarHBondContact O-N 3.23Å; E438-E441 HydrophobicContact CB-CB 4.27Å; E438-E441 PolarHBondContact O-N 3.23Å; E438-Q442 HydrophobicContact CB-CG 4.42Å; E438-Q442 WeakPolarHBondContact O-CB 3.48Å; E438-Q442 WeakPolarHBondContact O-CG 3.46Å; E438-Q442 PolarHBondContact O-N 3.48Å
439	E	41.8	Very low	56.3	Low	172 Å²	172	86 Å²	86	80%	0.804	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-16.9	174.8	-160	174	-144.4	0	0	112.5	D437	D437-E439 VanDerWaalsContact C-N 3.32Å; D437-E439 PolarHBondContact O-N 3.39Å
440	A	43.5	Very low	57.4	Low	81 Å²	81	84.8 Å²	84.8	67%	0.669	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-39.8	170	0	0	0	0	0	114.8	E438	E438-A440 PolarHBondContact O-N 3.23Å
441	E	46	Very low	58.9	Low	139 Å²	139	83.2 Å²	83.2	65%	0.65	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-82.5	-20.4	-177.4	-68.1	-169.8	172.5	0	0	113	E438 K443 L444	E438-E441 HydrophobicContact CB-CB 4.27Å; E438-E441 PolarHBondContact O-N 3.23Å; E441-K443 PolarHBondContact O-N 3.13Å; E441-L444 PolarHBondContact O-N 3.3Å; E441-L444 VanDerWaalsContact O-N 3.1Å
442	Q	47.3	Very low	60.4	Low	22 Å²	22	78.6 Å²	78.6	10%	0.103	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-62.2	-1.8	175.3	-77.6	-175.1	-8.8	0	0	115.4	E438 L444 F445 T700	E438-Q442 HydrophobicContact CB-CG 4.42Å; E438-Q442 WeakPolarHBondContact O-CB 3.48Å; E438-Q442 WeakPolarHBondContact O-CG 3.46Å; E438-Q442 PolarHBondContact O-N 3.48Å; Q442-L444 VanDerWaalsContact C-N 3.28Å; Q442-F445 HydrophobicContact CG-CE2 4.12Å; Q442-T700 PolarHBondContact OE1-OG1 3.35Å
443	K	45	Very low	61.8	Low	179 Å²	179	77.3 Å²	77.3	78%	0.778	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-80.2	-3.1	171.1	-68.8	-178.2	-178.7	173.2	0	114.2	E441	E441-K443 PolarHBondContact O-N 3.13Å
444	L	50.9	Low	63.2	Low	123 Å²	123	82.2 Å²	82.2	64%	0.644	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-113.3	19.1	-179.5	-66.9	176.2	0	0	0	114.7	E441 Q442 T446	E441-L444 PolarHBondContact O-N 3.3Å; E441-L444 VanDerWaalsContact O-N 3.1Å; Q442-L444 VanDerWaalsContact C-N 3.28Å; L444-T446 PolarHBondContact O-N 3.1Å
445	F	61.4	Low	64.6	Low	45 Å²	45	84.2 Å²	84.2	20%	0.197	42%	0.42	C	S	.	.			trans	-64.8	107.9	160.2	-75.8	-59.8	0	0	0	109.2	Q442 E447 V450 D693 A696	Q442-F445 HydrophobicContact CG-CE2 4.12Å; F445-E447 PolarHBondContact O-N 3.49Å; F445-V450 HydrophobicContact CB-CG2 3.84Å; F445-D693 HydrophobicContact CE1-CB 4.16Å; F445-A696 HydrophobicContact CZ-CB 4.32Å
446	T	68.6	Low	66.2	Low	43 Å²	43	84.9 Å²	84.9	26%	0.264	42%	0.419	S	S	.	.			trans	-47.2	136.2	174.9	-35.8	0	0	0	0	110.2	A188 L444 H448 R449 V450	A188-T446 HydrophobicContact CB-CG2 3.81Å; A188-T446 WeakPolarHBondContact CB-OG1 3.46Å; L444-T446 PolarHBondContact O-N 3.1Å; T446-H448 HydrophobicContact CG2-CB 4.03Å; T446-H448 PolarHBondContact O-N 2.95Å; T446-H448 VanDerWaalsContact O-N 3.08Å; T446-R449 WeakPolarHBondContact O-CA 3.36Å; T446-R449 WeakPolarHBondContact O-CB 3.31Å; T446-R449 PolarHBondContact O-N 3.4Å; T446-V450 PolarHBondContact O-N 2.83Å
447	E	76.4	Confident	67.9	Low	150 Å²	150	82.6 Å²	82.6	70%	0.701	41%	0.41	S	S	*	.	H	α-helix	trans	-56.2	-33.6	178.3	-165.1	178.8	171.1	0	0	111.5	F445 V450 Q451	F445-E447 PolarHBondContact O-N 3.49Å; E447-V450 PolarHBondContact O-N 3.24Å; E447-Q451 VanDerWaalsContact O-CG 3.28Å; E447-Q451 WeakPolarHBondContact O-CG 3.13Å; E447-Q451 PolarHBondContact O-N 3.04Å
448	H	80	Confident	69.7	Low	128 Å²	128	81 Å²	81	59%	0.593	41%	0.413	S	S	*	.	H	α-helix	trans	-61.4	-43.8	170.6	-171.3	-104.2	0	0	0	113.8	T446 Q451 T452	T446-H448 HydrophobicContact CG2-CB 4.03Å; T446-H448 PolarHBondContact O-N 2.95Å; T446-H448 VanDerWaalsContact O-N 3.08Å; H448-Q451 WeakPolarHBondContact O-CB 3.23Å; H448-Q451 PolarHBondContact O-N 2.67Å; H448-T452 PolarHBondContact O-N 2.81Å
449	R	79.3	Confident	71.4	Confident	64 Å²	64	84.1 Å²	84.1	24%	0.242	43%	0.426	C	S	.	.	H	α-helix	trans	-61.3	-44.7	172.5	-88.1	-86.2	167.1	96	15	110.5	D185 T446 Q451 T452 L453 D693	D185-R449 IonicContact OD1-CZ 2.67Å; D185-R449 IonicContact OD1-NH1 3.2Å; D185-R449 PolarHBondContact OD1-NH1 2.98Å; D185-R449 IonicContact OD1-NH2 3.41Å; D185-R449 PolarHBondContact OD1-NH2 3.46Å; D185-R449 IonicContact OD2-NH2 3.1Å; D185-R449 PolarHBondContact OD2-NH2 3.11Å; T446-R449 WeakPolarHBondContact O-CA 3.36Å; T446-R449 WeakPolarHBondContact O-CB 3.31Å; T446-R449 PolarHBondContact O-N 3.4Å; R449-Q451 VanDerWaalsContact C-N 3.28Å; R449-Q451 PolarHBondContact O-N 2.77Å; R449-T452 PolarHBondContact O-N 3.26Å; R449-T452 PolarHBondContact O-OG1 3.26Å; R449-L453 VanDerWaalsContact O-CG 3.25Å; R449-L453 WeakPolarHBondContact O-CG 3.42Å; R449-L453 PolarHBondContact O-N 3.27Å; R449-D693 IonicContact CZ-OD2 3.21Å; R449-D693 IonicContact NE-OD2 3.32Å; R449-D693 IonicContact NH1-OD2 2.73Å; R449-D693 PolarHBondContact NH1-OD2 3.43Å
450	V	83.7	Confident	73.3	Confident	22 Å²	22	81.6 Å²	81.6	13%	0.133	42%	0.424	C	S	.	.	H	α-helix	trans	-62.8	-35.6	176.7	179.8	0	0	0	0	111.8	F445 T446 E447 K454 Y697	F445-V450 HydrophobicContact CB-CG2 3.84Å; T446-V450 PolarHBondContact O-N 2.83Å; E447-V450 PolarHBondContact O-N 3.24Å; V450-K454 HydrophobicContact CG1-CD 4.1Å; V450-K454 WeakPolarHBondContact O-CB 3.49Å; V450-K454 VanDerWaalsContact O-CG 3.29Å; V450-K454 WeakPolarHBondContact O-CG 3.32Å; V450-K454 PolarHBondContact O-N 2.9Å; V450-K454 VanDerWaalsContact O-N 3.08Å; V450-Y697 HydrophobicContact CG1-CE2 4.02Å; V450-Y697 HydrophobicContact CG2-CE2 4.32Å
451	Q	85.7	Confident	75.3	Confident	91 Å²	91	83.1 Å²	83.1	43%	0.425	42%	0.421	S	S	.	.	H	α-helix	trans	-64.5	-49.5	173.3	-72.9	169.1	19.3	0	0	111.4	E447 H448 R449 L453 K454 E455	E447-Q451 VanDerWaalsContact O-CG 3.28Å; E447-Q451 WeakPolarHBondContact O-CG 3.13Å; E447-Q451 PolarHBondContact O-N 3.04Å; H448-Q451 WeakPolarHBondContact O-CB 3.23Å; H448-Q451 PolarHBondContact O-N 2.67Å; R449-Q451 VanDerWaalsContact C-N 3.28Å; R449-Q451 PolarHBondContact O-N 2.77Å; Q451-L453 VanDerWaalsContact C-N 3.33Å; Q451-L453 PolarHBondContact O-N 3.11Å; Q451-K454 PolarHBondContact O-N 2.96Å; Q451-K454 VanDerWaalsContact O-N 3.12Å; Q451-E455 WeakPolarHBondContact O-CG 3.3Å; Q451-E455 PolarHBondContact O-N 3.05Å
452	T	84.9	Confident	77.3	Confident	41 Å²	41	77 Å²	77	25%	0.252	39%	0.393	S	S	.	.	H	α-helix	trans	-62.3	-37.9	178.3	60.2	0	0	0	0	112.7	H448 R449 E455 L456	H448-T452 PolarHBondContact O-N 2.81Å; R449-T452 PolarHBondContact O-N 3.26Å; R449-T452 PolarHBondContact O-OG1 3.26Å; T452-E455 PolarHBondContact O-N 3.07Å; T452-L456 WeakPolarHBondContact O-CG 3.4Å; T452-L456 PolarHBondContact O-N 2.87Å
453	L	86.5	Confident	79.2	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-62	-42.4	173.4	-66.1	175.3	0	0	0	112	R449 Q451 L456 A457 V690 D693 Y694 Y697 F753	R449-L453 VanDerWaalsContact O-CG 3.25Å; R449-L453 WeakPolarHBondContact O-CG 3.42Å; R449-L453 PolarHBondContact O-N 3.27Å; Q451-L453 VanDerWaalsContact C-N 3.33Å; Q451-L453 PolarHBondContact O-N 3.11Å; L453-L456 PolarHBondContact O-N 3.31Å; L453-A457 PolarHBondContact O-N 2.96Å; L453-V690 HydrophobicContact CD2-CG1 4.07Å; L453-D693 HydrophobicContact CD1-CB 4.27Å; L453-D693 HydrophobicContact CD2-CB 4.25Å; L453-Y694 HydrophobicContact CB-CD2 4.46Å; L453-Y694 HydrophobicContact CD2-CD2 3.8Å; L453-Y694 HydrophobicContact CD2-CG 4.26Å; L453-Y697 HydrophobicContact CD1-CG 4.29Å; L453-F753 HydrophobicContact CB-CE2 4.22Å; L453-F753 HydrophobicContact CB-CZ 4.44Å
454	K	87	Confident	81.2	Confident	110 Å²	110	72.4 Å²	72.4	48%	0.478	37%	0.374	S	S	.	.	H	α-helix	trans	-68.2	-37.4	176.2	-73.9	169.8	-179	171	0	112.5	V450 Q451 L456 A457 A458	V450-K454 HydrophobicContact CG1-CD 4.1Å; V450-K454 WeakPolarHBondContact O-CB 3.49Å; V450-K454 VanDerWaalsContact O-CG 3.29Å; V450-K454 WeakPolarHBondContact O-CG 3.32Å; V450-K454 PolarHBondContact O-N 2.9Å; V450-K454 VanDerWaalsContact O-N 3.08Å; Q451-K454 PolarHBondContact O-N 2.96Å; Q451-K454 VanDerWaalsContact O-N 3.12Å; K454-L456 VanDerWaalsContact C-N 3.31Å; K454-A457 PolarHBondContact O-N 2.95Å; K454-A458 WeakPolarHBondContact O-CB 3.45Å; K454-A458 PolarHBondContact O-N 3.15Å
455	E	88.3	Confident	82.8	Confident	122 Å²	122	73 Å²	73	57%	0.57	37%	0.368	S	S	*	.	H	α-helix	trans	-66.4	-32	174	-73.4	-178.7	-174.6	0	0	112.9	Q451 T452 K459	Q451-E455 WeakPolarHBondContact O-CG 3.3Å; Q451-E455 PolarHBondContact O-N 3.05Å; T452-E455 PolarHBondContact O-N 3.07Å; E455-K459 WeakPolarHBondContact O-CE 3.48Å
456	L	85.3	Confident	84	Confident	33 Å²	33	71.5 Å²	71.5	17%	0.173	36%	0.362	C	S	.	.	H	α-helix	trans	-70.7	-45	171.4	-72.3	165.9	0	0	0	111.3	T452 L453 K454 A458 K459 V690 Y694	T452-L456 WeakPolarHBondContact O-CG 3.4Å; T452-L456 PolarHBondContact O-N 2.87Å; L453-L456 PolarHBondContact O-N 3.31Å; K454-L456 VanDerWaalsContact C-N 3.31Å; L456-A458 VanDerWaalsContact C-N 3.26Å; L456-A458 PolarHBondContact O-N 2.99Å; L456-K459 WeakPolarHBondContact O-CB 3.26Å; L456-K459 PolarHBondContact O-N 3.21Å; L456-V690 HydrophobicContact CD1-CG1 3.45Å; L456-V690 VanDerWaalsContact CD1-CG1 3.45Å; L456-Y694 HydrophobicContact CB-CE2 4.25Å
457	A	85.6	Confident	84.9	Confident	16 Å²	16	69.6 Å²	69.6	13%	0.132	35%	0.35	C	S	.	.	H	α-helix	trans	-62.2	-30.7	177	0	0	0	0	0	113.6	L453 K454 K459 Y694 F753	L453-A457 PolarHBondContact O-N 2.96Å; K454-A457 PolarHBondContact O-N 2.95Å; A457-K459 PolarHBondContact O-N 3.09Å; A457-Y694 WeakPolarHBondContact CA-OH 3.47Å; A457-Y694 HydrophobicContact CB-CE2 4.11Å; A457-Y694 VanDerWaalsContact CB-OH 3.28Å; A457-Y694 WeakPolarHBondContact CB-OH 3.3Å; A457-F753 HydrophobicContact CB-CB 4.11Å; A457-F753 HydrophobicContact CB-CD1 4.37Å; A457-F753 HydrophobicContact CB-CD2 3.37Å; A457-F753 HydrophobicContact CB-CE2 3.8Å; A457-F753 HydrophobicContact CB-CG 3.69Å; A457-F753 HydrophobicContact CB-CZ 4.47Å
458	A	86.1	Confident	85.1	Confident	84 Å²	84	65.2 Å²	65.2	69%	0.694	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-12.2	177.8	0	0	0	0	0	114.3	K454 L456	K454-A458 WeakPolarHBondContact O-CB 3.45Å; K454-A458 PolarHBondContact O-N 3.15Å; L456-A458 VanDerWaalsContact C-N 3.26Å; L456-A458 PolarHBondContact O-N 2.99Å
459	K	86.8	Confident	85.2	Confident	102 Å²	102	60.1 Å²	60.1	44%	0.443	32%	0.316	S	S	.	.	S	Bend	trans	-84.4	129.7	179.6	-67	164.6	-171.2	164.9	0	109.7	E455 L456 A457 D461 V462	E455-K459 WeakPolarHBondContact O-CE 3.48Å; L456-K459 WeakPolarHBondContact O-CB 3.26Å; L456-K459 PolarHBondContact O-N 3.21Å; A457-K459 PolarHBondContact O-N 3.09Å; K459-D461 PolarHBondContact O-N 3.04Å; K459-V462 WeakPolarHBondContact O-CB 3.26Å; K459-V462 WeakPolarHBondContact O-CG1 3.25Å; K459-V462 PolarHBondContact O-N 2.89Å
460	P	81.4	Confident	85.1	Confident	119 Å²	119	57.2 Å²	57.2	77%	0.773	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-31.3	-177.8	25.4	-34	0	0	0	112.6	V462	P460-V462 PolarHBondContact O-N 2.95Å
461	D	85.5	Confident	84.7	Confident	112 Å²	112	56.4 Å²	56.4	60%	0.599	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	5.9	-176.3	-46.3	-30.9	0	0	0	113.3	K459 Y463 E464 R465	K459-D461 PolarHBondContact O-N 3.04Å; D461-Y463 VanDerWaalsContact C-N 3.26Å; D461-Y463 PolarHBondContact O-N 2.87Å; D461-E464 PolarHBondContact O-N 2.72Å; D461-E464 VanDerWaalsContact O-N 3.15Å; D461-R465 WeakPolarHBondContact O-CB 3.27Å; D461-R465 PolarHBondContact O-N 3.07Å
462	V	86.8	Confident	84.2	Confident	10 Å²	10	54.3 Å²	54.3	6%	0.061	30%	0.295	C	S	.	.	H	α-helix	trans	-56.7	-38	-175.7	68.8	0	0	0	0	112.4	K459 P460 E464 R465 L466	K459-V462 WeakPolarHBondContact O-CB 3.26Å; K459-V462 WeakPolarHBondContact O-CG1 3.25Å; K459-V462 PolarHBondContact O-N 2.89Å; P460-V462 PolarHBondContact O-N 2.95Å; V462-E464 PolarHBondContact O-N 3.37Å; V462-R465 PolarHBondContact O-N 3Å; V462-L466 HydrophobicContact CG2-CD1 3.71Å; V462-L466 HydrophobicContact CG2-CG 3.99Å; V462-L466 WeakPolarHBondContact O-CB 3.48Å; V462-L466 WeakPolarHBondContact O-CG 3.37Å; V462-L466 PolarHBondContact O-N 2.92Å
463	Y	87.9	Confident	83.8	Confident	16 Å²	16	54.8 Å²	54.8	6%	0.063	30%	0.3	C	S	.	.	H	α-helix	trans	-63.6	-41.4	179.3	179.8	-127.9	0	0	0	112.7	D461 A467 K482 L485 L486 H748 V751 E764	D461-Y463 VanDerWaalsContact C-N 3.26Å; D461-Y463 PolarHBondContact O-N 2.87Å; Y463-A467 VanDerWaalsContact O-CB 3.23Å; Y463-A467 WeakPolarHBondContact O-CB 3.31Å; Y463-A467 PolarHBondContact O-N 3.37Å; Y463-A467 VanDerWaalsContact O-N 3.15Å; Y463-K482 HydrophobicContact CD1-CD 4.38Å; Y463-K482 HydrophobicContact CD1-CG 4.5Å; Y463-K482 HydrophobicContact CE1-CB 4.41Å; Y463-K482 HydrophobicContact CE1-CD 3.73Å; Y463-K482 HydrophobicContact CE1-CG 3.89Å; Y463-K482 HydrophobicContact CE2-CB 4.25Å; Y463-K482 HydrophobicContact CE2-CG 4.14Å; Y463-L485 HydrophobicContact CD2-CD2 4.06Å; Y463-L485 HydrophobicContact CE2-CD2 4.37Å; Y463-L486 HydrophobicContact CE2-CD2 4.3Å; Y463-L486 HydrophobicContact CE2-CG 4.41Å; Y463-H748 AromaticContact CD1-NE2 3.89Å; Y463-H748 AromaticContact CD2-CD2 3.98Å; Y463-H748 AromaticContact CE1-NE2 3.99Å; Y463-H748 AromaticContact CE2-CD2 3.77Å; Y463-H748 AromaticContact CG-NE2 3.92Å; Y463-H748 AromaticContact CZ-CD2 3.85Å; Y463-V751 HydrophobicContact CD2-CG1 4.3Å; Y463-E764 HydrophobicContact CE1-CG 3.87Å
464	E	86.4	Confident	83.6	Confident	90 Å²	90	55.4 Å²	55.4	42%	0.421	30%	0.304	S	S	.	.	H	α-helix	trans	-78.5	-36.8	-178.6	-50.5	-152.5	126	0	0	111	D461 V462 A467 S468 K482	D461-E464 PolarHBondContact O-N 2.72Å; D461-E464 VanDerWaalsContact O-N 3.15Å; V462-E464 PolarHBondContact O-N 3.37Å; E464-A467 PolarHBondContact O-N 2.85Å; E464-S468 WeakPolarHBondContact O-CB 3.25Å; E464-S468 PolarHBondContact O-N 3.19Å; E464-S468 PolarHBondContact O-OG 2.75Å; E464-K482 IonicContact OE1-NZ 3.25Å; E464-K482 PolarHBondContact OE1-NZ 2.88Å
465	R	85.5	Confident	83.1	Confident	136 Å²	136	53.5 Å²	53.5	51%	0.513	29%	0.294	S	S	.	.	H	α-helix	trans	-63.1	-51.4	175	-175.1	176.7	174.2	134.6	4.3	112.3	D461 V462 A467 S468 A469 D687	D461-R465 WeakPolarHBondContact O-CB 3.27Å; D461-R465 PolarHBondContact O-N 3.07Å; V462-R465 PolarHBondContact O-N 3Å; R465-A467 VanDerWaalsContact C-N 3.32Å; R465-A467 PolarHBondContact O-N 3.07Å; R465-S468 WeakPolarHBondContact O-CB 3.39Å; R465-S468 PolarHBondContact O-N 2.85Å; R465-S468 VanDerWaalsContact O-N 3.16Å; R465-A469 WeakPolarHBondContact O-CB 3.44Å; R465-A469 PolarHBondContact O-N 3.3Å; R465-D687 IonicContact CZ-OD2 2.94Å; R465-D687 IonicContact NE-OD2 2.7Å; R465-D687 PolarHBondContact NE-OD2 2.86Å; R465-D687 IonicContact NH2-OD2 3.89Å; R465-D687 PolarHBondContact NH2-OD2 3.33Å
466	L	85.9	Confident	82.4	Confident	13 Å²	13	51.4 Å²	51.4	7%	0.068	28%	0.284	C	S	.	.	H	α-helix	trans	-64.4	-36.9	178.2	-63.5	175.7	0	0	0	111.5	V462 S468 A469 L470 L485 F489 L691 Y694 V751	V462-L466 HydrophobicContact CG2-CD1 3.71Å; V462-L466 HydrophobicContact CG2-CG 3.99Å; V462-L466 WeakPolarHBondContact O-CB 3.48Å; V462-L466 WeakPolarHBondContact O-CG 3.37Å; V462-L466 PolarHBondContact O-N 2.92Å; L466-S468 VanDerWaalsContact C-N 3.33Å; L466-S468 PolarHBondContact O-N 2.98Å; L466-A469 PolarHBondContact O-N 3.12Å; L466-L470 PolarHBondContact O-N 2.97Å; L466-L470 VanDerWaalsContact O-N 3.13Å; L466-L485 HydrophobicContact CB-CD1 4.11Å; L466-L485 HydrophobicContact CB-CD2 3.8Å; L466-F489 HydrophobicContact CD1-CZ 4.49Å; L466-L691 HydrophobicContact CB-CD1 4.38Å; L466-L691 HydrophobicContact CD2-CD1 3.68Å; L466-L691 HydrophobicContact CG-CD1 4.47Å; L466-Y694 HydrophobicContact CD1-CD1 4.02Å; L466-Y694 HydrophobicContact CD1-CE1 3.74Å; L466-V751 HydrophobicContact CD1-CG1 4.15Å
467	A	87.1	Confident	82.1	Confident	2 Å²	2	51.8 Å²	51.8	2%	0.017	29%	0.285	C	S	.	.	H	α-helix	trans	-64.8	-37.6	174.1	0	0	0	0	0	112	Y463 E464 R465 K481 K482 L485	Y463-A467 VanDerWaalsContact O-CB 3.23Å; Y463-A467 WeakPolarHBondContact O-CB 3.31Å; Y463-A467 PolarHBondContact O-N 3.37Å; Y463-A467 VanDerWaalsContact O-N 3.15Å; E464-A467 PolarHBondContact O-N 2.85Å; R465-A467 VanDerWaalsContact C-N 3.32Å; R465-A467 PolarHBondContact O-N 3.07Å; A467-K481 HydrophobicContact CB-CB 4.29Å; A467-K481 VanDerWaalsContact O-CB 3.27Å; A467-K481 WeakPolarHBondContact O-CB 3.34Å; A467-K481 WeakPolarHBondContact O-CD 3.4Å; A467-K482 HydrophobicContact CB-CB 4.49Å; A467-K482 HydrophobicContact CB-CG 3.6Å; A467-L485 HydrophobicContact CB-CD2 4.33Å
468	S	81.7	Confident	82.1	Confident	58 Å²	58	55.8 Å²	55.8	41%	0.406	30%	0.301	S	S	.	.	H	α-helix	trans	-67.3	-45.5	177.4	-58.7	0	0	0	0	111.5	E464 R465 L466 L470	E464-S468 WeakPolarHBondContact O-CB 3.25Å; E464-S468 PolarHBondContact O-N 3.19Å; E464-S468 PolarHBondContact O-OG 2.75Å; R465-S468 WeakPolarHBondContact O-CB 3.39Å; R465-S468 PolarHBondContact O-N 2.85Å; R465-S468 VanDerWaalsContact O-N 3.16Å; L466-S468 VanDerWaalsContact C-N 3.33Å; L466-S468 PolarHBondContact O-N 2.98Å; S468-L470 VanDerWaalsContact C-N 3.28Å; S468-L470 PolarHBondContact O-N 3.13Å
469	A	81.1	Confident	82.3	Confident	22 Å²	22	53.9 Å²	53.9	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-64.1	-26.8	178.4	0	0	0	0	0	114	R465 L466 A471	R465-A469 WeakPolarHBondContact O-CB 3.44Å; R465-A469 PolarHBondContact O-N 3.3Å; L466-A469 PolarHBondContact O-N 3.12Å; A469-A471 PolarHBondContact O-N 3.31Å; A469-A471 VanDerWaalsContact O-N 3.1Å
470	L	77.8	Confident	82.4	Confident	3 Å²	3	49.7 Å²	49.7	2%	0.016	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.1	-176.9	-169.9	145.6	0	0	0	114.1	L466 S468 I484 L485 L488 Y526	L466-L470 PolarHBondContact O-N 2.97Å; L466-L470 VanDerWaalsContact O-N 3.13Å; S468-L470 VanDerWaalsContact C-N 3.28Å; S468-L470 PolarHBondContact O-N 3.13Å; L470-I484 HydrophobicContact CD1-CG2 4.12Å; L470-I484 HydrophobicContact CD2-CB 4.34Å; L470-I484 HydrophobicContact CD2-CG2 3.92Å; L470-L485 HydrophobicContact CD1-CB 4.09Å; L470-L485 HydrophobicContact CD1-CD1 4.04Å; L470-L488 HydrophobicContact CD1-CD1 3.57Å; L470-Y526 WeakPolarHBondContact O-CD1 3.18Å; L470-Y526 WeakPolarHBondContact O-CE1 3.22Å
471	A	76.1	Confident	82.9	Confident	4 Å²	4	44.9 Å²	44.9	3%	0.033	23%	0.228	C	C	.	.			trans	-162.2	89.7	170.7	0	0	0	0	0	111.2	A469 S473 I474 K481	A469-A471 PolarHBondContact O-N 3.31Å; A469-A471 VanDerWaalsContact O-N 3.1Å; A471-S473 VanDerWaalsContact C-N 3.27Å; A471-S473 PolarHBondContact O-N 3.5Å; A471-I474 HydrophobicContact CB-CB 4.29Å; A471-I474 HydrophobicContact CB-CD1 4.23Å; A471-I474 HydrophobicContact CB-CG1 4.28Å; A471-I474 PolarHBondContact O-N 3.12Å; A471-K481 HydrophobicContact CB-CD 4.48Å; A471-K481 WeakPolarHBondContact O-CE 3.29Å; A471-K481 PolarHBondContact O-NZ 2.73Å
472	P	74.6	Confident	83.2	Confident	48 Å²	48	39.7 Å²	39.7	31%	0.312	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-28.8	-178.6	25.1	-33.5	0	0	0	113	I474 H669 E684	P472-I474 VanDerWaalsContact C-N 3.27Å; P472-I474 PolarHBondContact O-N 3.16Å; P472-H669 PolarHBondContact O-NE2 2.67Å; P472-H669 VanDerWaalsContact O-NE2 3.13Å; P472-E684 WeakPolarHBondContact CB-OE2 3.41Å
473	S	77.1	Confident	83.4	Confident	50 Å²	50	39.2 Å²	39.2	35%	0.35	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-13.9	179.5	56.7	0	0	0	0	115.1	A471	A471-S473 VanDerWaalsContact C-N 3.27Å; A471-S473 PolarHBondContact O-N 3.5Å
474	I	81.3	Confident	83.6	Confident	14 Å²	14	38.4 Å²	38.4	7%	0.072	19%	0.194	C	C	.	.	S	Bend	trans	-108.8	121.9	-177.3	-56.5	-179.6	0	0	0	109.9	A471 P472 K481 L523	A471-I474 HydrophobicContact CB-CB 4.29Å; A471-I474 HydrophobicContact CB-CD1 4.23Å; A471-I474 HydrophobicContact CB-CG1 4.28Å; A471-I474 PolarHBondContact O-N 3.12Å; P472-I474 VanDerWaalsContact C-N 3.27Å; P472-I474 PolarHBondContact O-N 3.16Å; I474-K481 VanDerWaalsContact O-CE 3.26Å; I474-K481 WeakPolarHBondContact O-CE 3.5Å; I474-K481 PolarHBondContact O-NZ 3.45Å; I474-L523 HydrophobicContact CD1-CB 3.81Å; I474-L523 HydrophobicContact CD1-CG 4.43Å
475	Y	77.6	Confident	83.8	Confident	70 Å²	70	34.1 Å²	34.1	28%	0.275	17%	0.174	S	C	.	.			trans	-92.5	157.5	-173.5	-170.3	-115.9	0	0	0	113.5	H477 R665 H669	Y475-H477 PolarHBondContact O-N 3.11Å; Y475-R665 HydrophobicContact CE1-CB 3.72Å; Y475-H669 HydrophobicContact CD2-CB 4.32Å; Y475-H669 AromaticContact CD2-CG 3.99Å; Y475-H669 HydrophobicContact CG-CB 4.33Å
476	E	73.1	Confident	84.2	Confident	77 Å²	77	27.8 Å²	27.8	36%	0.36	15%	0.15	S	C	.	.	S	Bend	trans	47.2	9.6	170.7	-88.4	-178	-155.6	0	0	119.5	Y662 R665	E476-Y662 HydrophobicContact CB-CE2 4.05Å; E476-Y662 WeakPolarHBondContact OE2-CD2 3.29Å; E476-Y662 WeakPolarHBondContact OE2-CE2 3.38Å; E476-R665 WeakPolarHBondContact OE1-CD 3.19Å; E476-R665 IonicContact OE1-CZ 3.67Å; E476-R665 IonicContact OE1-NH1 3.27Å; E476-R665 PolarHBondContact OE1-NH1 3.48Å
477	H	79.3	Confident	84.5	Confident	42 Å²	42	27.5 Å²	27.5	19%	0.194	15%	0.149	C	C	.	.			trans	-105.8	49	178.9	-67.3	-14.3	0	0	0	114.4	Y475 D479 I480 K481	Y475-H477 PolarHBondContact O-N 3.11Å; H477-D479 PolarHBondContact O-N 3Å; H477-I480 HydrophobicContact CB-CB 4.39Å; H477-I480 HydrophobicContact CB-CD1 4.21Å; H477-I480 HydrophobicContact CB-CG1 4.43Å; H477-I480 PolarHBondContact O-N 2.76Å; H477-K481 PolarHBondContact O-N 2.94Å; H477-K481 VanDerWaalsContact O-N 3.16Å
478	E	85	Confident	84.6	Confident	99 Å²	99	27.9 Å²	27.9	46%	0.463	15%	0.15	S	C	.	.	H	α-helix	trans	-59.7	-45.1	-175.3	-68.5	-177.9	-163.1	0	0	114.2	I480 K481 K482	E478-I480 PolarHBondContact O-N 2.63Å; E478-K481 PolarHBondContact O-N 3.02Å; E478-K481 VanDerWaalsContact O-N 3.11Å; E478-K482 WeakPolarHBondContact O-CB 3.48Å; E478-K482 WeakPolarHBondContact O-CG 3.42Å; E478-K482 PolarHBondContact O-N 2.94Å; E478-K482 IonicContact OE2-NZ 3.64Å
479	D	89.5	Confident	84.9	Confident	45 Å²	45	25.2 Å²	25.2	24%	0.241	13%	0.131	C	C	.	.	H	α-helix	trans	-62.6	-31.4	-179.1	-62.8	-49.4	0	0	0	112.3	H477 G483 F652 R767 L768	H477-D479 PolarHBondContact O-N 3Å; D479-G483 PolarHBondContact O-N 3.09Å; D479-F652 WeakPolarHBondContact O-CZ 3.35Å; D479-R767 IonicContact OD1-NH2 2.71Å; D479-L768 HydrophobicContact CB-CD1 4.22Å; D479-L768 WeakPolarHBondContact O-CD1 3.43Å
480	I	89.9	Confident	85.1	Confident	13 Å²	13	24.5 Å²	24.5	7%	0.067	13%	0.127	C	C	.	.	H	α-helix	trans	-71.8	-44	175.7	-54.1	-176.1	0	0	0	109.9	H477 E478 G483 I484 L512 L523 F652 M654	H477-I480 HydrophobicContact CB-CB 4.39Å; H477-I480 HydrophobicContact CB-CD1 4.21Å; H477-I480 HydrophobicContact CB-CG1 4.43Å; H477-I480 PolarHBondContact O-N 2.76Å; E478-I480 PolarHBondContact O-N 2.63Å; I480-G483 PolarHBondContact O-N 3.17Å; I480-I484 HydrophobicContact CG2-CD1 3.91Å; I480-I484 WeakPolarHBondContact O-CD1 3.26Å; I480-I484 VanDerWaalsContact O-CG1 3.29Å; I480-I484 WeakPolarHBondContact O-CG1 3.31Å; I480-I484 PolarHBondContact O-N 3.14Å; I480-L512 HydrophobicContact CG2-CD2 3.78Å; I480-L523 HydrophobicContact CG2-CD1 3.94Å; I480-F652 HydrophobicContact CD1-CB 4.4Å; I480-F652 HydrophobicContact CG1-CB 4.31Å; I480-F652 HydrophobicContact CG1-CD1 3.92Å; I480-F652 HydrophobicContact CG1-CE1 4.4Å; I480-F652 HydrophobicContact CG1-CG 4.07Å; I480-F652 HydrophobicContact CG2-CD2 4.48Å; I480-M654 HydrophobicContact CD1-CE 4.4Å; I480-M654 HydrophobicContact CD1-CG 3.39Å; I480-M654 HydrophobicContact CD1-SD 3.6Å
481	K	90.9	Very high	85.3	Confident	19 Å²	19	24.7 Å²	24.7	8%	0.083	13%	0.129	C	C	.	.	H	α-helix	trans	-61.8	-42.4	174.5	-61.5	-175.5	-162.5	-178.9	0	111.5	A467 A471 I474 H477 E478 G483 I484 L485	A467-K481 HydrophobicContact CB-CB 4.29Å; A467-K481 VanDerWaalsContact O-CB 3.27Å; A467-K481 WeakPolarHBondContact O-CB 3.34Å; A467-K481 WeakPolarHBondContact O-CD 3.4Å; A471-K481 HydrophobicContact CB-CD 4.48Å; A471-K481 WeakPolarHBondContact O-CE 3.29Å; A471-K481 PolarHBondContact O-NZ 2.73Å; I474-K481 VanDerWaalsContact O-CE 3.26Å; I474-K481 WeakPolarHBondContact O-CE 3.5Å; I474-K481 PolarHBondContact O-NZ 3.45Å; H477-K481 PolarHBondContact O-N 2.94Å; H477-K481 VanDerWaalsContact O-N 3.16Å; E478-K481 PolarHBondContact O-N 3.02Å; E478-K481 VanDerWaalsContact O-N 3.11Å; K481-G483 PolarHBondContact O-N 2.65Å; K481-I484 PolarHBondContact O-N 2.77Å; K481-L485 WeakPolarHBondContact O-CB 3.45Å; K481-L485 PolarHBondContact O-N 2.88Å
482	K	91.6	Very high	85.8	Confident	2 Å²	2	25 Å²	25	1%	0.009	13%	0.13	C	C	.	.	H	α-helix	trans	-56.7	-45.7	172.2	-79.3	170.7	173.4	164.7	0	111.6	Y463 E464 A467 E478 L485 L486	Y463-K482 HydrophobicContact CD1-CD 4.38Å; Y463-K482 HydrophobicContact CD1-CG 4.5Å; Y463-K482 HydrophobicContact CE1-CB 4.41Å; Y463-K482 HydrophobicContact CE1-CD 3.73Å; Y463-K482 HydrophobicContact CE1-CG 3.89Å; Y463-K482 HydrophobicContact CE2-CB 4.25Å; Y463-K482 HydrophobicContact CE2-CG 4.14Å; E464-K482 IonicContact OE1-NZ 3.25Å; E464-K482 PolarHBondContact OE1-NZ 2.88Å; A467-K482 HydrophobicContact CB-CB 4.49Å; A467-K482 HydrophobicContact CB-CG 3.6Å; E478-K482 WeakPolarHBondContact O-CB 3.48Å; E478-K482 WeakPolarHBondContact O-CG 3.42Å; E478-K482 PolarHBondContact O-N 2.94Å; E478-K482 IonicContact OE2-NZ 3.64Å; K482-L485 WeakPolarHBondContact O-CB 3.26Å; K482-L485 PolarHBondContact O-N 3.44Å; K482-L486 WeakPolarHBondContact O-CG 3.03Å; K482-L486 PolarHBondContact O-N 2.87Å; K482-L486 VanDerWaalsContact O-N 3.13Å
483	G	91.9	Very high	86	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-61	-44.9	173.6	0	0	0	0	0	114.1	D479 I480 K481 L486 Q487 I510	D479-G483 PolarHBondContact O-N 3.09Å; I480-G483 PolarHBondContact O-N 3.17Å; K481-G483 PolarHBondContact O-N 2.65Å; G483-L486 PolarHBondContact O-N 3.41Å; G483-Q487 PolarHBondContact O-N 3.22Å; G483-I510 VanDerWaalsContact O-CD1 3.27Å; G483-I510 WeakPolarHBondContact O-CD1 3.45Å
484	I	91.9	Very high	86	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-67.7	-37	178.4	-63.7	156.7	0	0	0	111.2	L470 I480 K481 L486 Q487 L488 L523 V527	L470-I484 HydrophobicContact CD1-CG2 4.12Å; L470-I484 HydrophobicContact CD2-CB 4.34Å; L470-I484 HydrophobicContact CD2-CG2 3.92Å; I480-I484 HydrophobicContact CG2-CD1 3.91Å; I480-I484 WeakPolarHBondContact O-CD1 3.26Å; I480-I484 VanDerWaalsContact O-CG1 3.29Å; I480-I484 WeakPolarHBondContact O-CG1 3.31Å; I480-I484 PolarHBondContact O-N 3.14Å; K481-I484 PolarHBondContact O-N 2.77Å; I484-L486 VanDerWaalsContact C-N 3.35Å; I484-L486 PolarHBondContact O-N 2.84Å; I484-Q487 CarbonylContact O-C 3.59Å; I484-Q487 WeakPolarHBondContact O-CA 3.27Å; I484-Q487 VanDerWaalsContact O-CB 3.31Å; I484-Q487 WeakPolarHBondContact O-CB 3.21Å; I484-Q487 PolarHBondContact O-N 3.5Å; I484-L488 PolarHBondContact O-N 2.64Å; I484-L523 HydrophobicContact CD1-CD1 3.72Å; I484-L523 HydrophobicContact CD1-CD2 3.53Å; I484-L523 HydrophobicContact CD1-CG 3.87Å; I484-V527 HydrophobicContact CG2-CG2 3.73Å
485	L	91.7	Very high	85.4	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58	-48.3	174	-174.2	68.6	0	0	0	110.5	Y463 L466 A467 L470 K481 K482 Q487 L488 F489	Y463-L485 HydrophobicContact CD2-CD2 4.06Å; Y463-L485 HydrophobicContact CE2-CD2 4.37Å; L466-L485 HydrophobicContact CB-CD1 4.11Å; L466-L485 HydrophobicContact CB-CD2 3.8Å; A467-L485 HydrophobicContact CB-CD2 4.33Å; L470-L485 HydrophobicContact CD1-CB 4.09Å; L470-L485 HydrophobicContact CD1-CD1 4.04Å; K481-L485 WeakPolarHBondContact O-CB 3.45Å; K481-L485 PolarHBondContact O-N 2.88Å; K482-L485 WeakPolarHBondContact O-CB 3.26Å; K482-L485 PolarHBondContact O-N 3.44Å; L485-Q487 PolarHBondContact O-N 3.37Å; L485-L488 PolarHBondContact O-N 2.73Å; L485-L488 VanDerWaalsContact O-N 3.1Å; L485-F489 HydrophobicContact CD1-CD2 4.35Å; L485-F489 HydrophobicContact CD1-CE2 3.64Å; L485-F489 HydrophobicContact CD1-CZ 4.49Å; L485-F489 HydrophobicContact CD2-CE2 4.43Å; L485-F489 HydrophobicContact CG-CD2 4.17Å; L485-F489 HydrophobicContact CG-CE2 3.74Å; L485-F489 WeakPolarHBondContact O-CD2 3.37Å; L485-F489 PolarHBondContact O-N 2.95Å
486	L	92.2	Very high	85	Confident	2 Å²	2	34.6 Å²	34.6	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-61	-31.7	173.8	-63.8	175.4	0	0	0	112.7	Y463 K482 G483 I484 G490 L744 A747 H748 V751 L768	Y463-L486 HydrophobicContact CE2-CD2 4.3Å; Y463-L486 HydrophobicContact CE2-CG 4.41Å; K482-L486 WeakPolarHBondContact O-CG 3.03Å; K482-L486 PolarHBondContact O-N 2.87Å; K482-L486 VanDerWaalsContact O-N 3.13Å; G483-L486 PolarHBondContact O-N 3.41Å; I484-L486 VanDerWaalsContact C-N 3.35Å; I484-L486 PolarHBondContact O-N 2.84Å; L486-G490 PolarHBondContact O-N 3.28Å; L486-L744 HydrophobicContact CB-CD2 4.4Å; L486-L744 HydrophobicContact CD1-CD2 4Å; L486-A747 HydrophobicContact CB-CB 4.1Å; L486-A747 HydrophobicContact CD2-CB 3.94Å; L486-H748 HydrophobicContact CD2-CB 3.85Å; L486-V751 HydrophobicContact CD2-CG2 3.98Å; L486-L768 HydrophobicContact CD1-CD2 3.59Å
487	Q	92.6	Very high	84.8	Confident	8 Å²	8	35.8 Å²	35.8	4%	0.037	18%	0.181	C	C	.	.	H	α-helix	trans	-68.5	-36.2	173.7	-170.7	174.1	36.8	0	0	112.9	G483 I484 L485 V508 I510 I574 A616 V617	G483-Q487 PolarHBondContact O-N 3.22Å; I484-Q487 CarbonylContact O-C 3.59Å; I484-Q487 WeakPolarHBondContact O-CA 3.27Å; I484-Q487 VanDerWaalsContact O-CB 3.31Å; I484-Q487 WeakPolarHBondContact O-CB 3.21Å; I484-Q487 PolarHBondContact O-N 3.5Å; L485-Q487 PolarHBondContact O-N 3.37Å; Q487-V508 WeakPolarHBondContact CG-O 3.15Å; Q487-V508 PolarHBondContact NE2-O 3.49Å; Q487-I510 HydrophobicContact CB-CD1 3.83Å; Q487-I510 HydrophobicContact CG-CD1 4.4Å; Q487-I574 HydrophobicContact CG-CD1 4.07Å; Q487-A616 HydrophobicContact CG-CB 4.17Å; Q487-V617 PolarHBondContact NE2-O 3.34Å; Q487-V617 VanDerWaalsContact NE2-O 3.15Å
488	L	89.6	Confident	84.2	Confident	9 Å²	9	43 Å²	43	5%	0.047	22%	0.215	C	C	.	.	H	α-helix	trans	-68.1	-39.5	177.2	-69.2	172.4	0	0	0	112.6	L433 L470 I484 L485 L530 V531 I574 I695	L433-L488 HydrophobicContact CD1-CD2 4.23Å; L470-L488 HydrophobicContact CD1-CD1 3.57Å; I484-L488 PolarHBondContact O-N 2.64Å; L485-L488 PolarHBondContact O-N 2.73Å; L485-L488 VanDerWaalsContact O-N 3.1Å; L488-L530 HydrophobicContact CD1-CD2 3.86Å; L488-V531 HydrophobicContact CD2-CG2 3.6Å; L488-I574 HydrophobicContact CD2-CD1 3.81Å; L488-I695 HydrophobicContact CB-CD1 4.35Å; L488-I695 HydrophobicContact CD1-CD1 4.05Å
489	F	88.3	Confident	83.5	Confident	2 Å²	2	42.6 Å²	42.6	1%	0.009	22%	0.22	C	C	.	.	H	α-helix	trans	-74.4	-40.5	174.7	-69.3	-74	0	0	0	112.7	L466 L485 Y694 I695 A698 K750 V751	L466-F489 HydrophobicContact CD1-CZ 4.49Å; L485-F489 HydrophobicContact CD1-CD2 4.35Å; L485-F489 HydrophobicContact CD1-CE2 3.64Å; L485-F489 HydrophobicContact CD1-CZ 4.49Å; L485-F489 HydrophobicContact CD2-CE2 4.43Å; L485-F489 HydrophobicContact CG-CD2 4.17Å; L485-F489 HydrophobicContact CG-CE2 3.74Å; L485-F489 WeakPolarHBondContact O-CD2 3.37Å; L485-F489 PolarHBondContact O-N 2.95Å; F489-Y694 AromaticContact CE1-CD1 3.91Å; F489-Y694 HydrophobicContact CE1-CD1 3.91Å; F489-Y694 HydrophobicContact CE1-CE1 4.14Å; F489-Y694 AromaticContact CZ-CD1 3.72Å; F489-Y694 HydrophobicContact CZ-CD1 3.72Å; F489-Y694 AromaticContact CZ-CE1 3.86Å; F489-Y694 HydrophobicContact CZ-CE1 3.86Å; F489-I695 HydrophobicContact CD1-CG1 4.46Å; F489-I695 HydrophobicContact CE1-CB 4.29Å; F489-I695 HydrophobicContact CE1-CG1 3.84Å; F489-I695 HydrophobicContact CE2-CG1 4.38Å; F489-I695 HydrophobicContact CZ-CG1 3.78Å; F489-A698 HydrophobicContact CD1-CB 3.53Å; F489-A698 HydrophobicContact CE1-CB 3.43Å; F489-A698 VanDerWaalsContact CE1-CB 3.43Å; F489-K750 PolarHBondContact O-NZ 3.45Å; F489-V751 HydrophobicContact CD2-CG2 3.63Å; F489-V751 HydrophobicContact CE2-CB 4.37Å; F489-V751 HydrophobicContact CE2-CG1 4.35Å; F489-V751 HydrophobicContact CE2-CG2 3.68Å; F489-V751 HydrophobicContact CG-CG2 4.42Å; F489-V751 HydrophobicContact CZ-CG2 4.49Å
490	G	84.4	Confident	82.4	Confident	8 Å²	8	44 Å²	44	8%	0.082	24%	0.244	C	C	.	.			trans	65.1	164.8	-178.9	0	0	0	0	0	114.8	L486 K750	L486-G490 PolarHBondContact O-N 3.28Å; G490-K750 WeakPolarHBondContact O-CD 3.33Å; G490-K750 WeakPolarHBondContact O-CE 3.43Å; G490-K750 PolarHBondContact O-NZ 3.31Å
491	G	83.4	Confident	81.2	Confident	6 Å²	6	51.8 Å²	51.8	6%	0.062	27%	0.273	C	S	.	.			trans	-69	178.8	175.5	0	0	0	0	0	113.6	A506 K750	G491-A506 VanDerWaalsContact CA-O 3.3Å; G491-A506 WeakPolarHBondContact CA-O 3.4Å; G491-A506 PolarHBondContact N-O 3.05Å; G491-K750 PolarHBondContact O-NZ 2.89Å
492	T	85.1	Confident	80	Confident	10 Å²	10	53.6 Å²	53.6	6%	0.061	30%	0.297	C	S	.	.			trans	-82.3	145.5	175.7	62.7	0	0	0	0	112.1	K494 A506 N703 P704 E746	T492-K494 PolarHBondContact O-N 2.93Å; T492-K494 WeakPolarHBondContact OG1-CE 3.29Å; T492-A506 VanDerWaalsContact O-CB 3.23Å; T492-A506 WeakPolarHBondContact O-CB 3.38Å; T492-N703 HydrophobicContact CG2-CB 4.49Å; T492-P704 VanDerWaalsContact CG2-CD 3.41Å; T492-P704 HydrophobicContact CG2-CG 3.69Å; T492-E746 WeakPolarHBondContact CB-OE2 3.48Å; T492-E746 PolarHBondContact N-OE2 3.48Å; T492-E746 PolarHBondContact OG1-OE2 3.2Å
493	R	79.8	Confident	78.9	Confident	116 Å²	116	60 Å²	60	44%	0.438	33%	0.326	S	S	.	.			trans	-82	114.4	170.8	-68.9	-177.3	173.3	-168.9	-8.4	108.2	A506 E507 N572	R493-A506 HydrophobicContact CG-CB 4.14Å; R493-E507 IonicContact NH2-OE1 3.94Å; R493-E507 PolarHBondContact NH2-OE1 3.16Å; R493-N572 PolarHBondContact NH1-OD1 3.08Å; R493-N572 PolarHBondContact NH2-OD1 3.13Å
494	K	77.9	Confident	78.3	Confident	70 Å²	70	64 Å²	64	30%	0.304	34%	0.344	S	S	.	.			trans	-111	104.6	179.9	-62.8	-178.5	-171.5	173.2	0	109.8	T492 F496 E746	T492-K494 PolarHBondContact O-N 2.93Å; T492-K494 WeakPolarHBondContact OG1-CE 3.29Å; K494-F496 HydrophobicContact CB-CD2 4.02Å; K494-F496 HydrophobicContact CB-CE2 3.45Å; K494-F496 VanDerWaalsContact CB-CE2 3.45Å; K494-F496 HydrophobicContact CB-CZ 3.98Å; K494-F496 HydrophobicContact CD-CE2 4.12Å; K494-F496 HydrophobicContact CD-CZ 4.05Å; K494-F496 HydrophobicContact CG-CE2 4.43Å; K494-F496 VanDerWaalsContact O-CD2 3.27Å; K494-F496 WeakPolarHBondContact O-CD2 3.17Å; K494-F496 PolarHBondContact O-N 3.01Å; K494-E746 WeakPolarHBondContact CE-OE1 3.38Å; K494-E746 IonicContact NZ-OE1 3.31Å; K494-E746 PolarHBondContact NZ-OE1 3.16Å
495	D	68.8	Low	78	Confident	117 Å²	117	65.1 Å²	65.1	63%	0.626	35%	0.348	S	S	*	.			trans	-84.4	100.6	177.4	-74	-43.8	0	0	0	111.4	S497 H503	D495-S497 PolarHBondContact O-N 3.38Å; D495-H503 IonicContact OD1-CE1 2.74Å; D495-H503 IonicContact OD1-ND1 3.46Å; D495-H503 PolarHBondContact OD1-ND1 3.38Å
496	F	69.2	Low	77.7	Confident	81 Å²	81	65.5 Å²	65.5	36%	0.355	35%	0.352	S	S	.	.			trans	-84.4	25.3	-179.7	-73.2	-75.5	0	0	0	113.9	K494 Q498 T499 F504	K494-F496 HydrophobicContact CB-CD2 4.02Å; K494-F496 HydrophobicContact CB-CE2 3.45Å; K494-F496 VanDerWaalsContact CB-CE2 3.45Å; K494-F496 HydrophobicContact CB-CZ 3.98Å; K494-F496 HydrophobicContact CD-CE2 4.12Å; K494-F496 HydrophobicContact CD-CZ 4.05Å; K494-F496 HydrophobicContact CG-CE2 4.43Å; K494-F496 VanDerWaalsContact O-CD2 3.27Å; K494-F496 WeakPolarHBondContact O-CD2 3.17Å; K494-F496 PolarHBondContact O-N 3.01Å; F496-Q498 PolarHBondContact O-N 3.49Å; F496-Q498 VanDerWaalsContact O-N 3.09Å; F496-T499 PolarHBondContact O-N 2.99Å; F496-T499 PolarHBondContact O-OG1 2.79Å; F496-F504 AromaticContact CD2-CD2 3.64Å; F496-F504 HydrophobicContact CD2-CD2 3.64Å; F496-F504 HydrophobicContact CD2-CE2 4.12Å; F496-F504 AromaticContact CE2-CD2 3.86Å; F496-F504 HydrophobicContact CE2-CD2 3.86Å; F496-F504 HydrophobicContact CE2-CE2 4.35Å
497	S	67.8	Low	77.6	Confident	103 Å²	103	66.2 Å²	66.2	72%	0.72	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-52.7	-34.7	-174.2	58.6	0	0	0	0	113.8	D495 T499	D495-S497 PolarHBondContact O-N 3.38Å; S497-T499 PolarHBondContact O-N 2.84Å
498	Q	67.7	Low	77.5	Confident	193 Å²	193	65.9 Å²	65.9	90%	0.902	35%	0.353	S	S	*	.	G	3₁₀ helix	trans	-65.7	-19.5	175.9	-65.5	-174.7	-4.8	0	0	114.6	F496	F496-Q498 PolarHBondContact O-N 3.49Å; F496-Q498 VanDerWaalsContact O-N 3.09Å
499	T	69.9	Low	77.7	Confident	91 Å²	91	65.5 Å²	65.5	56%	0.558	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-108.3	-2.3	-174.9	66.4	0	0	0	0	114.2	F496 S497 R501	F496-T499 PolarHBondContact O-N 2.99Å; F496-T499 PolarHBondContact O-OG1 2.79Å; S497-T499 PolarHBondContact O-N 2.84Å; T499-R501 PolarHBondContact O-N 2.66Å
500	G	65.4	Low	77.9	Confident	74 Å²	74	65.4 Å²	65.4	76%	0.763	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	-1.9	-177.4	0	0	0	0	0	115.5
501	R	64.9	Low	78.3	Confident	177 Å²	177	65 Å²	65	67%	0.668	35%	0.347	S	S	*	.			trans	-71.7	134	164.5	-74.9	-173.3	170.3	179.8	-2.5	108.8	T499 F504	T499-R501 PolarHBondContact O-N 2.66Å; R501-F504 HydrophobicContact CB-CE2 4.28Å
502	G	66.3	Low	78.8	Confident	56 Å²	56	64.8 Å²	64.8	58%	0.577	34%	0.344	S	S	*	.			trans	-65.4	178.6	-179.3	0	0	0	0	0	113.4	F504	G502-F504 PolarHBondContact O-N 3.36Å
503	H	69.1	Low	78.9	Confident	137 Å²	137	64.3 Å²	64.3	63%	0.634	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-63.5	125.7	-180	-55.6	-72.1	0	0	0	110.9	D495	D495-H503 IonicContact OD1-CE1 2.74Å; D495-H503 IonicContact OD1-ND1 3.46Å; D495-H503 PolarHBondContact OD1-ND1 3.38Å
504	F	78.5	Confident	79.3	Confident	84 Å²	84	58.8 Å²	58.8	37%	0.368	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-83.2	137	170.1	-79.1	-94.5	0	0	0	109.7	F496 R501 G502 A506	F496-F504 AromaticContact CD2-CD2 3.64Å; F496-F504 HydrophobicContact CD2-CD2 3.64Å; F496-F504 HydrophobicContact CD2-CE2 4.12Å; F496-F504 AromaticContact CE2-CD2 3.86Å; F496-F504 HydrophobicContact CE2-CD2 3.86Å; F496-F504 HydrophobicContact CE2-CE2 4.35Å; R501-F504 HydrophobicContact CB-CE2 4.28Å; G502-F504 PolarHBondContact O-N 3.36Å; F504-A506 PolarHBondContact O-N 2.88Å
505	R	86.4	Confident	79.8	Confident	23 Å²	23	55.6 Å²	55.6	9%	0.087	31%	0.307	C	S	.	.	P	Polyproline II helix	trans	-56.9	127	171.2	-178.5	175.9	98.1	-149.7	4	110.1	E507 N509 M595 Q598 R647 D649 R743	R505-E507 HydrophobicContact CG-CB 4.47Å; R505-E507 PolarHBondContact NE-O 3.44Å; R505-N509 PolarHBondContact NH1-ND2 3.45Å; R505-N509 PolarHBondContact NH2-ND2 3.43Å; R505-M595 PolarHBondContact NH1-O 3.11Å; R505-Q598 HydrophobicContact CB-CG 4.42Å; R505-Q598 HydrophobicContact CG-CG 4.16Å; R505-R647 PolarHBondContact NH1-O 3.07Å; R505-R647 PolarHBondContact NH2-O 2.85Å; R505-D649 IonicContact CZ-OD2 2.67Å; R505-D649 IonicContact NH2-OD1 2.64Å; R505-D649 PolarHBondContact NH2-OD1 3.43Å; R505-D649 VanDerWaalsContact NH2-OD1 3.1Å; R505-D649 IonicContact NH2-OD2 2.68Å; R505-D649 PolarHBondContact NH2-OD2 3.33Å; R505-R743 PolarHBondContact O-NE 2.91Å; R505-R743 PolarHBondContact O-NH2 2.84Å
506	A	85.5	Confident	80.7	Confident	9 Å²	9	53.6 Å²	53.6	7%	0.074	30%	0.3	C	S	.	.			trans	-97.1	-24.1	173	0	0	0	0	0	112.9	G491 T492 R493 F504	G491-A506 VanDerWaalsContact CA-O 3.3Å; G491-A506 WeakPolarHBondContact CA-O 3.4Å; G491-A506 PolarHBondContact N-O 3.05Å; T492-A506 VanDerWaalsContact O-CB 3.23Å; T492-A506 WeakPolarHBondContact O-CB 3.38Å; R493-A506 HydrophobicContact CG-CB 4.14Å; F504-A506 PolarHBondContact O-N 2.88Å
507	E	88.2	Confident	81.2	Confident	17 Å²	17	53.3 Å²	53.3	8%	0.079	32%	0.32	C	S	.	.	S	Bend	trans	-78.3	144.3	-175.6	-76.8	141.8	-141.1	0	0	112.9	R493 R505 Q598 R614 T615 A616	R493-E507 IonicContact NH2-OE1 3.94Å; R493-E507 PolarHBondContact NH2-OE1 3.16Å; R505-E507 HydrophobicContact CG-CB 4.47Å; R505-E507 PolarHBondContact NE-O 3.44Å; E507-Q598 VanDerWaalsContact CD-NE2 3.26Å; E507-Q598 PolarHBondContact OE2-NE2 3.08Å; E507-R614 VanDerWaalsContact OE2-O 3.11Å; E507-T615 WeakPolarHBondContact OE2-CA 3.27Å; E507-T615 PolarHBondContact OE2-N 2.97Å; E507-A616 HydrophobicContact CB-CB 4.13Å; E507-A616 HydrophobicContact CG-CB 4.35Å; E507-A616 PolarHBondContact OE2-N 3.46Å
508	V	91.3	Very high	81.9	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.006	29%	0.292	C	S	.	.			trans	-93.7	128.7	-180	-179.2	0	0	0	0	109.2	Q487 I510 D649 R743 L744	Q487-V508 WeakPolarHBondContact CG-O 3.15Å; Q487-V508 PolarHBondContact NE2-O 3.49Å; V508-I510 HydrophobicContact CG1-CD1 4.49Å; V508-I510 HydrophobicContact CG1-CG1 4.1Å; V508-D649 WeakPolarHBondContact CA-OD2 3.42Å; V508-D649 HydrophobicContact CG1-CB 3.96Å; V508-R743 HydrophobicContact CG2-CB 4.12Å; V508-L744 HydrophobicContact CG1-CD2 3.99Å; V508-L744 HydrophobicContact CG2-CD2 4.32Å
509	N	93.4	Very high	82.8	Confident	1 Å²	1	43 Å²	43	1%	0.005	27%	0.268	C	S	.	.			trans	-104	128.1	176.5	-71.4	-32.1	0	0	0	110.5	R505 M595 V617 F648 D649 L650	R505-N509 PolarHBondContact NH1-ND2 3.45Å; R505-N509 PolarHBondContact NH2-ND2 3.43Å; N509-M595 HydrophobicContact CB-CE 3.93Å; N509-M595 WeakPolarHBondContact ND2-CE 3.41Å; N509-V617 WeakPolarHBondContact CA-O 3.32Å; N509-V617 PolarHBondContact OD1-N 3.39Å; N509-F648 HydrophobicContact CB-CD1 3.98Å; N509-D649 PolarHBondContact N-OD2 3.21Å; N509-D649 PolarHBondContact O-N 2.84Å; N509-L650 PolarHBondContact O-N 2.97Å
510	I	93.6	Very high	83.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	134.1	-175.1	-58.3	-172.5	0	0	0	110.4	G483 Q487 V508 L512 V617 L618 A619 L650 F652	G483-I510 VanDerWaalsContact O-CD1 3.27Å; G483-I510 WeakPolarHBondContact O-CD1 3.45Å; Q487-I510 HydrophobicContact CB-CD1 3.83Å; Q487-I510 HydrophobicContact CG-CD1 4.4Å; V508-I510 HydrophobicContact CG1-CD1 4.49Å; V508-I510 HydrophobicContact CG1-CG1 4.1Å; I510-L512 HydrophobicContact CG2-CD2 4.05Å; I510-V617 PolarHBondContact N-O 2.88Å; I510-L618 HydrophobicContact CB-CD1 3.75Å; I510-L618 HydrophobicContact CG2-CD1 3.84Å; I510-A619 PolarHBondContact O-N 3.43Å; I510-L650 WeakPolarHBondContact CA-O 3.32Å; I510-L650 HydrophobicContact CD1-CD1 4.33Å; I510-L650 HydrophobicContact CG1-CB 4.33Å; I510-F652 HydrophobicContact CD1-CE2 4.48Å; I510-F652 HydrophobicContact CG2-CD2 3.74Å; I510-F652 HydrophobicContact CG2-CE2 3.9Å
511	L	92.7	Very high	84.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.4	171.9	180	63.8	0	0	0	110.1	A619 A621 L640 L645 F648 L650 I651 F652	L511-A619 HydrophobicContact CD1-CB 3.72Å; L511-A621 HydrophobicContact CD1-CB 4Å; L511-L640 HydrophobicContact CD2-CD1 4.19Å; L511-L645 HydrophobicContact CD2-CD2 4.09Å; L511-F648 HydrophobicContact CB-CB 4.4Å; L511-F648 HydrophobicContact CB-CD1 3.77Å; L511-F648 HydrophobicContact CB-CD2 4.28Å; L511-F648 HydrophobicContact CB-CE1 4.04Å; L511-F648 HydrophobicContact CB-CG 3.9Å; L511-F648 HydrophobicContact CB-CZ 4.4Å; L511-F648 HydrophobicContact CD1-CZ 4.4Å; L511-F648 HydrophobicContact CD2-CD2 4.27Å; L511-F648 HydrophobicContact CD2-CE2 4.32Å; L511-L650 PolarHBondContact N-O 2.78Å; L511-I651 HydrophobicContact CB-CG1 4.28Å; L511-I651 HydrophobicContact CB-CG2 4.43Å; L511-I651 HydrophobicContact CD2-CG1 4.42Å; L511-I651 HydrophobicContact CD2-CG2 4.16Å; L511-I651 HydrophobicContact CG-CG2 4.42Å; L511-I651 CarbonylContact O-C 3.58Å; L511-I651 WeakPolarHBondContact O-CA 3.44Å; L511-F652 PolarHBondContact O-N 3.06Å
512	L	92.4	Very high	86	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	106.9	174.8	-60.1	-175.2	0	0	0	109.1	I480 I510 L523 L524 L618 A619 A620 A621 F652 M654	I480-L512 HydrophobicContact CG2-CD2 3.78Å; I510-L512 HydrophobicContact CG2-CD2 4.05Å; L512-L523 HydrophobicContact CD1-CD1 4.29Å; L512-L523 HydrophobicContact CD1-CD2 3.65Å; L512-L524 HydrophobicContact CD1-CD2 4.48Å; L512-L618 HydrophobicContact CD1-CD1 4.34Å; L512-L618 HydrophobicContact CG-CD1 4.31Å; L512-A619 PolarHBondContact N-O 3.42Å; L512-A620 CarbonylContact O-C 3.59Å; L512-A620 WeakPolarHBondContact O-CA 3.34Å; L512-A621 PolarHBondContact O-N 2.93Å; L512-F652 HydrophobicContact CD2-CB 3.99Å; L512-F652 HydrophobicContact CD2-CD2 3.89Å; L512-F652 HydrophobicContact CD2-CG 4.34Å; L512-M654 HydrophobicContact CB-CE 3.68Å; L512-M654 HydrophobicContact CD1-CE 4.43Å; L512-M654 HydrophobicContact CD2-CE 4.31Å; L512-M654 HydrophobicContact CG-CE 4.36Å
513	C	89	Confident	87.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	147.8	176.5	-171.9	0	0	0	0	110.6	A621 F652 L653 M654	C513-A621 WeakPolarHBondContact CA-O 3.31Å; C513-F652 PolarHBondContact N-O 3.1Å; C513-F652 VanDerWaalsContact O-O 3.09Å; C513-L653 HydrophobicContact CB-CD2 4.19Å; C513-M654 PolarHBondContact O-N 2.9Å
514	G	88.1	Confident	88.2	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.9	-172.1	177.5	0	0	0	0	0	115	K520 A621 P623 M654	G514-K520 PolarHBondContact O-NZ 3.45Å; G514-A621 PolarHBondContact N-O 3.16Å; G514-P623 WeakPolarHBondContact O-CD 3.32Å; G514-M654 WeakPolarHBondContact CA-O 3.46Å
515	D	87.6	Confident	88.7	Confident	4 Å²	4	24.9 Å²	24.9	2%	0.021	16%	0.157	C	C	.	.			trans	-75.7	152.5	178.5	-59.2	-40.9	0	0	0	111.9	T518 K520 Q627 W628 D656	D515-T518 PolarHBondContact O-OG1 3.5Å; D515-K520 WeakPolarHBondContact O-CE 3.37Å; D515-Q627 VanDerWaalsContact CG-NE2 3.3Å; D515-Q627 WeakPolarHBondContact OD1-CA 3.35Å; D515-Q627 PolarHBondContact OD2-NE2 3.35Å; D515-Q627 VanDerWaalsContact OD2-NE2 3.08Å; D515-W628 PolarHBondContact OD1-N 3.13Å; D515-D656 HydrophobicContact CB-CB 4.44Å
516	P	86.7	Confident	88.8	Confident	74 Å²	74	26.4 Å²	26.4	48%	0.481	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	145.7	171.7	30.1	-36	0	0	0	110.3	S626	P516-S626 WeakPolarHBondContact CD-O 3.48Å
517	G	81.2	Confident	89	Confident	75 Å²	75	26 Å²	26	77%	0.773	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.5	-31.8	-174	0	0	0	0	0	112.8	S519	G517-S519 PolarHBondContact O-N 2.82Å
518	T	82.4	Confident	89	Confident	21 Å²	21	28 Å²	28	13%	0.129	17%	0.167	C	C	.	.	S	Bend	trans	-60.7	134.6	162.2	66.2	0	0	0	0	109.1	D515 K520 M654 D656	D515-T518 PolarHBondContact O-OG1 3.5Å; T518-K520 WeakPolarHBondContact O-CG 3.04Å; T518-K520 PolarHBondContact O-N 3Å; T518-K520 WeakPolarHBondContact OG1-CE 3.3Å; T518-K520 WeakPolarHBondContact OG1-CG 3.45Å; T518-M654 HydrophobicContact CG2-CB 4.35Å; T518-D656 HydrophobicContact CG2-CB 4.17Å
519	S	86.1	Confident	88.7	Confident	59 Å²	59	32.4 Å²	32.4	41%	0.413	19%	0.19	S	C	.	.	S	Bend	trans	-75.6	33.8	-161	-45.5	0	0	0	0	116	G517 S521 Q522 L523	G517-S519 PolarHBondContact O-N 2.82Å; S519-S521 PolarHBondContact O-N 2.97Å; S519-Q522 WeakPolarHBondContact O-CB 3.43Å; S519-Q522 PolarHBondContact O-N 2.67Å; S519-L523 PolarHBondContact O-N 2.83Å
520	K	89.2	Confident	88.2	Confident	5 Å²	5	32.8 Å²	32.8	2%	0.022	19%	0.192	C	C	.	.	H	α-helix	trans	-60	-48.3	-172.7	-18.7	179.8	-169.6	144.9	0	113.2	G514 D515 T518 Q522 L523 L524 A620 A621 N622 M654	G514-K520 PolarHBondContact O-NZ 3.45Å; D515-K520 WeakPolarHBondContact O-CE 3.37Å; T518-K520 WeakPolarHBondContact O-CG 3.04Å; T518-K520 PolarHBondContact O-N 3Å; T518-K520 WeakPolarHBondContact OG1-CE 3.3Å; T518-K520 WeakPolarHBondContact OG1-CG 3.45Å; K520-Q522 VanDerWaalsContact C-N 3.26Å; K520-Q522 PolarHBondContact O-N 3.27Å; K520-L523 WeakPolarHBondContact O-CB 3.33Å; K520-L523 PolarHBondContact O-N 2.8Å; K520-L523 VanDerWaalsContact O-N 3.16Å; K520-L524 WeakPolarHBondContact O-CG 3.43Å; K520-L524 PolarHBondContact O-N 3.23Å; K520-A620 HydrophobicContact CB-CB 4.21Å; K520-A620 HydrophobicContact CD-CB 4.48Å; K520-A621 PolarHBondContact NZ-O 2.83Å; K520-N622 PolarHBondContact NZ-OD1 3.16Å; K520-M654 HydrophobicContact CB-CE 4.05Å; K520-M654 HydrophobicContact CD-CE 3.62Å; K520-M654 HydrophobicContact CG-CE 3.52Å; K520-M654 HydrophobicContact CG-SD 4.23Å
521	S	89.6	Confident	87.7	Confident	45 Å²	45	33 Å²	33	32%	0.315	19%	0.194	S	C	.	.	H	α-helix	trans	-64.4	-33.9	-179.6	-51.5	0	0	0	0	111.5	S519 L524 Q525 D578	S519-S521 PolarHBondContact O-N 2.97Å; S521-L524 PolarHBondContact O-N 2.85Å; S521-Q525 VanDerWaalsContact O-CG 3.28Å; S521-Q525 WeakPolarHBondContact O-CG 3.34Å; S521-Q525 PolarHBondContact O-N 2.74Å; S521-D578 VanDerWaalsContact CB-OD2 3.27Å; S521-D578 WeakPolarHBondContact CB-OD2 3.43Å; S521-D578 PolarHBondContact OG-OD2 2.97Å
522	Q	88.7	Confident	86.6	Confident	101 Å²	101	34.1 Å²	34.1	47%	0.472	20%	0.201	S	C	.	.	H	α-helix	trans	-65.8	-43	173.6	-171.8	62.9	29.8	0	0	111.3	S519 K520 Q525 Y526	S519-Q522 WeakPolarHBondContact O-CB 3.43Å; S519-Q522 PolarHBondContact O-N 2.67Å; K520-Q522 VanDerWaalsContact C-N 3.26Å; K520-Q522 PolarHBondContact O-N 3.27Å; Q522-Q525 PolarHBondContact O-N 2.89Å; Q522-Y526 WeakPolarHBondContact O-CB 3.41Å; Q522-Y526 PolarHBondContact O-N 3.12Å
523	L	89.9	Confident	85.9	Confident	11 Å²	11	38 Å²	38	6%	0.058	22%	0.215	C	C	.	.	H	α-helix	trans	-62.1	-43.9	174.6	178.2	165.6	0	0	0	111.4	I474 I480 I484 L512 S519 K520 Q525 Y526 V527 L618	I474-L523 HydrophobicContact CD1-CB 3.81Å; I474-L523 HydrophobicContact CD1-CG 4.43Å; I480-L523 HydrophobicContact CG2-CD1 3.94Å; I484-L523 HydrophobicContact CD1-CD1 3.72Å; I484-L523 HydrophobicContact CD1-CD2 3.53Å; I484-L523 HydrophobicContact CD1-CG 3.87Å; L512-L523 HydrophobicContact CD1-CD1 4.29Å; L512-L523 HydrophobicContact CD1-CD2 3.65Å; S519-L523 PolarHBondContact O-N 2.83Å; K520-L523 WeakPolarHBondContact O-CB 3.33Å; K520-L523 PolarHBondContact O-N 2.8Å; K520-L523 VanDerWaalsContact O-N 3.16Å; L523-Q525 VanDerWaalsContact C-N 3.34Å; L523-Q525 PolarHBondContact O-N 3.29Å; L523-Y526 PolarHBondContact O-N 3.06Å; L523-V527 HydrophobicContact CD2-CG2 4.32Å; L523-V527 WeakPolarHBondContact O-CG2 3.37Å; L523-V527 PolarHBondContact O-N 3.15Å; L523-L618 HydrophobicContact CD2-CD2 4.39Å
524	L	91.6	Very high	85.7	Confident	0 Å²	0	38 Å²	38	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.3	-43.3	174.2	-69.7	-171	0	0	0	112.4	L512 K520 S521 Y528 Y536 C576 D578 L618 A620	L512-L524 HydrophobicContact CD1-CD2 4.48Å; K520-L524 WeakPolarHBondContact O-CG 3.43Å; K520-L524 PolarHBondContact O-N 3.23Å; S521-L524 PolarHBondContact O-N 2.85Å; L524-Y528 WeakPolarHBondContact O-CB 3.4Å; L524-Y528 PolarHBondContact O-N 2.96Å; L524-Y536 HydrophobicContact CB-CD2 4.42Å; L524-Y536 HydrophobicContact CB-CE2 4.02Å; L524-Y536 HydrophobicContact CD1-CE2 4.45Å; L524-C576 HydrophobicContact CB-CB 4.34Å; L524-C576 HydrophobicContact CD2-CB 4.39Å; L524-C576 PolarHBondContact O-SG 3.37Å; L524-D578 HydrophobicContact CD1-CB 3.86Å; L524-L618 HydrophobicContact CD2-CB 4.4Å; L524-L618 HydrophobicContact CD2-CD1 4.43Å; L524-L618 HydrophobicContact CD2-CD2 3.65Å; L524-L618 HydrophobicContact CD2-CG 3.49Å; L524-L618 VanDerWaalsContact CD2-CG 3.49Å; L524-A620 HydrophobicContact CD1-CB 3.62Å; L524-A620 HydrophobicContact CG-CB 4.28Å
525	Q	89.4	Confident	85.7	Confident	76 Å²	76	40.8 Å²	40.8	36%	0.355	23%	0.229	S	C	.	.	H	α-helix	trans	-66.4	-38.7	177.6	-73.4	174.1	22	0	0	111.8	S521 Q522 L523 Y528 N529 Y536	S521-Q525 VanDerWaalsContact O-CG 3.28Å; S521-Q525 WeakPolarHBondContact O-CG 3.34Å; S521-Q525 PolarHBondContact O-N 2.74Å; Q522-Q525 PolarHBondContact O-N 2.89Å; L523-Q525 VanDerWaalsContact C-N 3.34Å; L523-Q525 PolarHBondContact O-N 3.29Å; Q525-Y528 PolarHBondContact O-N 2.91Å; Q525-N529 VanDerWaalsContact O-CG 3.29Å; Q525-N529 PolarHBondContact O-N 2.75Å; Q525-N529 PolarHBondContact O-ND2 3.07Å; Q525-Y536 HydrophobicContact CG-CD2 4.31Å; Q525-Y536 HydrophobicContact CG-CE2 3.89Å
526	Y	88.2	Confident	85.9	Confident	55 Å²	55	44.1 Å²	44.1	22%	0.216	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-50.4	175.5	-169.8	-79.3	0	0	0	111.4	L470 Q522 L523 Y528 N529 L530 M688	L470-Y526 WeakPolarHBondContact O-CD1 3.18Å; L470-Y526 WeakPolarHBondContact O-CE1 3.22Å; Q522-Y526 WeakPolarHBondContact O-CB 3.41Å; Q522-Y526 PolarHBondContact O-N 3.12Å; L523-Y526 PolarHBondContact O-N 3.06Å; Y526-Y528 VanDerWaalsContact C-N 3.31Å; Y526-Y528 PolarHBondContact O-N 3.36Å; Y526-N529 PolarHBondContact O-N 2.97Å; Y526-N529 VanDerWaalsContact O-N 3.07Å; Y526-L530 PolarHBondContact O-N 2.99Å; Y526-M688 WeakPolarHBondContact OH-CE 3.27Å
527	V	89.4	Confident	86.1	Confident	1 Å²	1	41.2 Å²	41.2	1%	0.006	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-39	177	175.6	0	0	0	0	111.6	I484 L523 N529 L530 V531 I574 L618	I484-V527 HydrophobicContact CG2-CG2 3.73Å; L523-V527 HydrophobicContact CD2-CG2 4.32Å; L523-V527 WeakPolarHBondContact O-CG2 3.37Å; L523-V527 PolarHBondContact O-N 3.15Å; V527-N529 VanDerWaalsContact C-N 3.31Å; V527-N529 PolarHBondContact O-N 2.78Å; V527-L530 PolarHBondContact O-N 3.42Å; V527-V531 HydrophobicContact CG1-CG2 4.23Å; V527-V531 WeakPolarHBondContact O-CG2 3.4Å; V527-V531 PolarHBondContact O-N 3.11Å; V527-V531 VanDerWaalsContact O-N 3.11Å; V527-I574 HydrophobicContact CG1-CD1 3.94Å; V527-I574 HydrophobicContact CG1-CG2 4.43Å; V527-L618 HydrophobicContact CB-CD2 4.12Å; V527-L618 HydrophobicContact CG1-CD2 3.96Å; V527-L618 HydrophobicContact CG2-CD2 4.12Å
528	Y	89	Confident	86.4	Confident	59 Å²	59	39.5 Å²	39.5	23%	0.231	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-35.3	173.8	164	-98.3	0	0	0	113.4	L524 Q525 Y526 G534	L524-Y528 WeakPolarHBondContact O-CB 3.4Å; L524-Y528 PolarHBondContact O-N 2.96Å; Q525-Y528 PolarHBondContact O-N 2.91Å; Y526-Y528 VanDerWaalsContact C-N 3.31Å; Y526-Y528 PolarHBondContact O-N 3.36Å; Y528-G534 WeakPolarHBondContact CE2-O 3.39Å
529	N	83.9	Confident	86.4	Confident	94 Å²	94	38.8 Å²	38.8	50%	0.503	20%	0.195	S	C	.	.	H	α-helix	trans	-75.1	-31	176.6	-71.6	-24.5	0	0	0	112.4	R432 Q525 Y526 V527	R432-N529 WeakPolarHBondContact CG-O 3.31Å; Q525-N529 VanDerWaalsContact O-CG 3.29Å; Q525-N529 PolarHBondContact O-N 2.75Å; Q525-N529 PolarHBondContact O-ND2 3.07Å; Y526-N529 PolarHBondContact O-N 2.97Å; Y526-N529 VanDerWaalsContact O-N 3.07Å; V527-N529 VanDerWaalsContact C-N 3.31Å; V527-N529 PolarHBondContact O-N 2.78Å
530	L	83.6	Confident	86.3	Confident	8 Å²	8	42.5 Å²	42.5	4%	0.042	20%	0.204	C	C	.	.	H	α-helix	trans	-73.8	-37.3	178.5	-174.4	62.8	0	0	0	112.9	R432 L433 L488 Y526 V527 M688	R432-L530 CarbonylContact C-O 3.57Å; R432-L530 WeakPolarHBondContact CA-O 3.48Å; L433-L530 HydrophobicContact CD1-CG 4.24Å; L433-L530 HydrophobicContact CG-CD1 4.46Å; L433-L530 HydrophobicContact CG-CG 4.34Å; L433-L530 WeakPolarHBondContact CG-O 3.28Å; L433-L530 PolarHBondContact N-O 3.27Å; L488-L530 HydrophobicContact CD1-CD2 3.86Å; Y526-L530 PolarHBondContact O-N 2.99Å; V527-L530 PolarHBondContact O-N 3.42Å; L530-M688 HydrophobicContact CD1-SD 3.96Å
531	V	82.5	Confident	85.7	Confident	6 Å²	6	45.5 Å²	45.5	4%	0.036	24%	0.236	C	C	.	.			trans	-88.9	130.5	-170.3	179	0	0	0	0	113.1	L433 L488 V527 R533 G534 I574	L433-V531 HydrophobicContact CD1-CG2 4.29Å; L488-V531 HydrophobicContact CD2-CG2 3.6Å; V527-V531 HydrophobicContact CG1-CG2 4.23Å; V527-V531 WeakPolarHBondContact O-CG2 3.4Å; V527-V531 PolarHBondContact O-N 3.11Å; V527-V531 VanDerWaalsContact O-N 3.11Å; V531-R533 VanDerWaalsContact C-N 3.32Å; V531-R533 PolarHBondContact O-N 2.79Å; V531-G534 PolarHBondContact O-N 3.4Å; V531-G534 VanDerWaalsContact O-N 3.09Å; V531-I574 HydrophobicContact CG1-CG1 4.48Å; V531-I574 HydrophobicContact CG2-CD1 4.09Å; V531-I574 HydrophobicContact CG2-CG1 4.24Å
532	P	71.1	Confident	85.2	Confident	22 Å²	22	44.3 Å²	44.3	14%	0.143	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-47.3	-178.3	14.8	-30	0	0	0	112.6	R432 L433	R432-P532 HydrophobicContact CB-CB 4.38Å; R432-P532 PolarHBondContact NH1-O 3.2Å; L433-P532 HydrophobicContact CB-CG 4.22Å; L433-P532 VanDerWaalsContact O-CB 3.24Å; L433-P532 WeakPolarHBondContact O-CB 3.43Å; L433-P532 WeakPolarHBondContact O-CD 3.38Å; L433-P532 WeakPolarHBondContact O-CG 3.27Å
533	R	77.4	Confident	84.9	Confident	82 Å²	82	42.8 Å²	42.8	31%	0.309	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	29.9	-178.1	-58.6	-179.3	66.1	158.8	-6.1	111.9	D437 V531 S570 D571	D437-R533 IonicContact OD2-NH1 3.35Å; V531-R533 VanDerWaalsContact C-N 3.32Å; V531-R533 PolarHBondContact O-N 2.79Å; R533-S570 WeakPolarHBondContact O-CA 3.35Å; R533-S570 VanDerWaalsContact O-CB 3.32Å; R533-S570 WeakPolarHBondContact O-CB 3.42Å; R533-D571 VanDerWaalsContact CZ-O 3.25Å; R533-D571 PolarHBondContact NE-O 3.2Å
534	G	84.1	Confident	84.5	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.236	C	C	.	.			trans	-64.6	137.8	172.1	0	0	0	0	0	110.9	Y528 V531 I574	Y528-G534 WeakPolarHBondContact CE2-O 3.39Å; V531-G534 PolarHBondContact O-N 3.4Å; V531-G534 VanDerWaalsContact O-N 3.09Å; G534-I574 WeakPolarHBondContact CA-O 2.83Å
535	Q	88.3	Confident	84	Confident	59 Å²	59	46.9 Å²	46.9	28%	0.276	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.4	169.5	-70.7	-66.3	-7.9	0	0	110.2	L569 I574 C576	Q535-L569 HydrophobicContact CG-CB 4.43Å; Q535-I574 PolarHBondContact N-O 3.47Å; Q535-I574 VanDerWaalsContact N-O 3.12Å; Q535-C576 PolarHBondContact O-N 2.86Å
536	Y	91.9	Very high	83.7	Confident	73 Å²	73	44.9 Å²	44.9	29%	0.286	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	124.2	177.8	-177.8	-92.8	0	0	0	110.5	L524 Q525 C576 D578	L524-Y536 HydrophobicContact CB-CD2 4.42Å; L524-Y536 HydrophobicContact CB-CE2 4.02Å; L524-Y536 HydrophobicContact CD1-CE2 4.45Å; Q525-Y536 HydrophobicContact CG-CD2 4.31Å; Q525-Y536 HydrophobicContact CG-CE2 3.89Å; Y536-C576 HydrophobicContact CD2-CB 4Å; Y536-D578 HydrophobicContact CE2-CB 4.43Å; Y536-D578 PolarHBondContact OH-OD2 3.28Å
537	T	89.6	Confident	83.5	Confident	13 Å²	13	42.3 Å²	42.3	8%	0.08	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	145.8	-176.9	59.1	0	0	0	0	111	S542 L547 A566 C576 I577 D578	T537-S542 WeakPolarHBondContact CB-OG 3.39Å; T537-L547 HydrophobicContact CG2-CD2 4.23Å; T537-A566 HydrophobicContact CG2-CB 3.66Å; T537-C576 PolarHBondContact N-O 3.36Å; T537-C576 PolarHBondContact OG1-O 2.74Å; T537-I577 WeakPolarHBondContact O-CA 3.38Å; T537-D578 PolarHBondContact O-N 3.14Å
538	S	89.4	Confident	83.3	Confident	40 Å²	40	42.7 Å²	42.7	28%	0.28	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.6	170	164.7	0	0	0	0	109.5	K540 G541 S542	S538-K540 PolarHBondContact O-N 3.19Å; S538-K540 PolarHBondContact OG-N 3.1Å; S538-G541 PolarHBondContact O-N 3.44Å; S538-G541 VanDerWaalsContact O-N 3.09Å; S538-S542 VanDerWaalsContact O-CB 3.24Å; S538-S542 WeakPolarHBondContact O-CB 3.34Å; S538-S542 PolarHBondContact O-N 3.4Å; S538-S542 PolarHBondContact O-OG 3.28Å
539	G	81.2	Confident	83	Confident	5 Å²	5	39.9 Å²	39.9	5%	0.052	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.2	-179.8	0	0	0	0	0	114.6	D578 M583	G539-D578 PolarHBondContact N-O 2.74Å; G539-M583 VanDerWaalsContact CA-CG 3.41Å
540	K	83.3	Confident	83.1	Confident	137 Å²	137	39.3 Å²	39.3	60%	0.596	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-38.1	169.9	-74.5	-174.6	179.7	158.5	0	113.5	S538 S542 E579 K582	S538-K540 PolarHBondContact O-N 3.19Å; S538-K540 PolarHBondContact OG-N 3.1Å; K540-S542 VanDerWaalsContact C-N 3.27Å; K540-S542 PolarHBondContact O-N 2.86Å; K540-E579 WeakPolarHBondContact CD-OE2 3.49Å; K540-E579 IonicContact NZ-OE2 3.1Å; K540-K582 HydrophobicContact CD-CB 4.32Å; K540-K582 HydrophobicContact CG-CB 3.73Å
541	G	77.5	Confident	83.2	Confident	68 Å²	68	41 Å²	41	70%	0.701	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-20	-179.5	0	0	0	0	0	113.7	S538	S538-G541 PolarHBondContact O-N 3.44Å; S538-G541 VanDerWaalsContact O-N 3.09Å
542	S	79.4	Confident	83.3	Confident	21 Å²	21	44.4 Å²	44.4	15%	0.147	26%	0.256	C	S	.	.			trans	-107.9	108.4	-170.1	-46.6	0	0	0	0	111.4	T537 S538 K540	T537-S542 WeakPolarHBondContact CB-OG 3.39Å; S538-S542 VanDerWaalsContact O-CB 3.24Å; S538-S542 WeakPolarHBondContact O-CB 3.34Å; S538-S542 PolarHBondContact O-N 3.4Å; S538-S542 PolarHBondContact O-OG 3.28Å; K540-S542 VanDerWaalsContact C-N 3.27Å; K540-S542 PolarHBondContact O-N 2.86Å
543	S	81.9	Confident	83.9	Confident	69 Å²	69	49.9 Å²	49.9	48%	0.483	28%	0.277	S	S	.	.			trans	-74.9	163.1	168.1	70.5	0	0	0	0	111.2	V545 G546 L547	S543-V545 PolarHBondContact O-N 3.48Å; S543-V545 VanDerWaalsContact O-N 3.11Å; S543-V545 PolarHBondContact OG-N 3.24Å; S543-G546 PolarHBondContact O-N 3.05Å; S543-G546 PolarHBondContact OG-N 3.16Å; S543-L547 PolarHBondContact O-N 3.4Å
544	A	82.1	Confident	83.9	Confident	25 Å²	25	46.6 Å²	46.6	21%	0.207	27%	0.266	C	S	.	.	H	α-helix	trans	-56.4	-30.8	174.1	0	0	0	0	0	111.9	T548 T587 V590	A544-T548 WeakPolarHBondContact O-CB 3.42Å; A544-T548 VanDerWaalsContact O-CG2 3.26Å; A544-T548 WeakPolarHBondContact O-CG2 3.26Å; A544-T548 PolarHBondContact O-N 2.96Å; A544-T548 VanDerWaalsContact O-N 3.1Å; A544-T548 PolarHBondContact O-OG1 2.91Å; A544-T587 VanDerWaalsContact CA-CG2 3.49Å; A544-T587 HydrophobicContact CB-CG2 3.77Å; A544-V590 HydrophobicContact CB-CG2 4.4Å
545	V	80.6	Confident	83.7	Confident	72 Å²	72	51.4 Å²	51.4	44%	0.436	30%	0.297	S	S	.	.	H	α-helix	trans	-68.6	-35.9	176.5	-176.2	0	0	0	0	111.8	S543 Y550	S543-V545 PolarHBondContact O-N 3.48Å; S543-V545 VanDerWaalsContact O-N 3.11Å; S543-V545 PolarHBondContact OG-N 3.24Å; V545-Y550 VanDerWaalsContact CG1-CB 3.41Å; V545-Y550 HydrophobicContact CG1-CG 4.16Å
546	G	82.6	Confident	83	Confident	34 Å²	34	53.4 Å²	53.4	35%	0.351	31%	0.306	S	S	.	.	H	α-helix	trans	-79	-29.8	176.6	0	0	0	0	0	114.3	S543 G565 A566	S543-G546 PolarHBondContact O-N 3.05Å; S543-G546 PolarHBondContact OG-N 3.16Å; G546-G565 CarbonylContact O-C 3.44Å; G546-G565 WeakPolarHBondContact O-CA 3.45Å; G546-A566 PolarHBondContact O-N 2.99Å
547	L	84.3	Confident	82.3	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	32%	0.315	C	S	.	.	H	α-helix	trans	-75.7	-36.8	174.8	-69	178	0	0	0	112.8	T537 S543 A566 L567 T587	T537-L547 HydrophobicContact CG2-CD2 4.23Å; S543-L547 PolarHBondContact O-N 3.4Å; L547-A566 HydrophobicContact CD2-CB 4.43Å; L547-A566 PolarHBondContact O-N 3.44Å; L547-L567 HydrophobicContact CB-CD1 4.07Å; L547-L567 HydrophobicContact CB-CG 4.4Å; L547-L567 VanDerWaalsContact O-CB 3.3Å; L547-L567 WeakPolarHBondContact O-CB 3.43Å; L547-L567 WeakPolarHBondContact O-CG 3.36Å; L547-L567 PolarHBondContact O-N 3.44Å; L547-T587 HydrophobicContact CD1-CG2 3.97Å
548	T	85.9	Confident	81.8	Confident	8 Å²	8	62.4 Å²	62.4	5%	0.049	35%	0.347	C	S	.	.	S	Bend	trans	-91.5	-102.6	-169.2	57.7	0	0	0	0	113.6	A544 G565 V590 L600	A544-T548 WeakPolarHBondContact O-CB 3.42Å; A544-T548 VanDerWaalsContact O-CG2 3.26Å; A544-T548 WeakPolarHBondContact O-CG2 3.26Å; A544-T548 PolarHBondContact O-N 2.96Å; A544-T548 VanDerWaalsContact O-N 3.1Å; A544-T548 PolarHBondContact O-OG1 2.91Å; T548-G565 WeakPolarHBondContact O-CA 3.18Å; T548-G565 PolarHBondContact O-N 2.83Å; T548-V590 HydrophobicContact CG2-CB 4.1Å; T548-V590 HydrophobicContact CG2-CG1 3.21Å; T548-V590 HydrophobicContact CG2-CG2 3.72Å; T548-L600 HydrophobicContact CG2-CD1 3.53Å; T548-L600 HydrophobicContact CG2-CD2 4.38Å
549	A	82.4	Confident	81.3	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	155.5	165.5	0	0	0	0	0	108	L562 Q563 I602 L611	A549-L562 HydrophobicContact CB-CD1 3.88Å; A549-L562 HydrophobicContact CB-CG 4.11Å; A549-Q563 CarbonylContact C-O 3.41Å; A549-Q563 WeakPolarHBondContact CA-O 2.85Å; A549-Q563 VanDerWaalsContact CB-O 3.24Å; A549-Q563 WeakPolarHBondContact CB-O 3.37Å; A549-I602 HydrophobicContact CB-CD1 3.6Å; A549-L611 HydrophobicContact CB-CD1 3.93Å
550	Y	85.2	Confident	81.4	Confident	83 Å²	83	70.1 Å²	70.1	33%	0.325	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	148.5	-174.6	66.1	-90.8	0	0	0	111.8	V545 M552 Q563	V545-Y550 VanDerWaalsContact CG1-CB 3.41Å; V545-Y550 HydrophobicContact CG1-CG 4.16Å; Y550-M552 HydrophobicContact CD2-CB 4.49Å; Y550-M552 HydrophobicContact CE2-CB 4.31Å; Y550-M552 HydrophobicContact CE2-CE 3.98Å; Y550-Q563 HydrophobicContact CD1-CB 4.42Å; Y550-Q563 HydrophobicContact CD2-CB 4.35Å; Y550-Q563 HydrophobicContact CE1-CB 4.03Å; Y550-Q563 HydrophobicContact CE2-CB 3.97Å; Y550-Q563 VanDerWaalsContact CE2-OE1 3.23Å; Y550-Q563 VanDerWaalsContact CZ-OE1 3.26Å; Y550-Q563 PolarHBondContact N-O 2.9Å; Y550-Q563 PolarHBondContact O-N 3.27Å; Y550-Q563 PolarHBondContact OH-OE1 3.32Å
551	V	86.1	Confident	81.3	Confident	42 Å²	42	65.9 Å²	65.9	26%	0.255	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	114	-178.4	-174.6	0	0	0	0	108.3	L560 V561 L562 K604 A605 I607	V551-L560 HydrophobicContact CG1-CB 3.82Å; V551-L560 HydrophobicContact CG1-CD2 4.08Å; V551-L560 HydrophobicContact CG1-CG 4.36Å; V551-V561 WeakPolarHBondContact CA-O 3.3Å; V551-L562 HydrophobicContact CG2-CD1 3.95Å; V551-K604 HydrophobicContact CG2-CB 4.3Å; V551-A605 HydrophobicContact CG1-CB 4.27Å; V551-I607 HydrophobicContact CG1-CD1 4.49Å
552	M	84.6	Confident	81.5	Confident	79 Å²	79	65.1 Å²	65.1	39%	0.389	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	147.4	171.9	-169.8	-171.7	-75.6	0	0	109.3	Y550 V561	Y550-M552 HydrophobicContact CD2-CB 4.49Å; Y550-M552 HydrophobicContact CE2-CB 4.31Å; Y550-M552 HydrophobicContact CE2-CE 3.98Å; M552-V561 HydrophobicContact CB-CG2 4.47Å; M552-V561 PolarHBondContact N-O 3.14Å; M552-V561 WeakPolarHBondContact O-CG2 3.18Å; M552-V561 PolarHBondContact O-N 3.46Å
553	K	84.2	Confident	81.7	Confident	136 Å²	136	66.5 Å²	66.5	59%	0.591	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	113.1	166.5	-170.6	174.2	-174.5	171.4	0	109.3	R558 Q559 L560	K553-R558 WeakPolarHBondContact CE-O 3.27Å; K553-Q559 WeakPolarHBondContact CA-O 3.39Å; K553-L560 HydrophobicContact CB-CD2 4.05Å; K553-L560 HydrophobicContact CG-CD2 4.39Å
554	D	77.9	Confident	81.6	Confident	14 Å²	14	66 Å²	66	8%	0.075	34%	0.343	C	S	.	.			trans	-69.5	129.6	179.1	170.1	65.1	0	0	0	110.3	R295 E556 T557 R558 Q559 V561	R295-D554 IonicContact CZ-OD1 3.86Å; R295-D554 IonicContact NH1-OD1 3.95Å; R295-D554 PolarHBondContact NH1-OD1 3.31Å; R295-D554 IonicContact NH2-OD1 2.84Å; D554-E556 VanDerWaalsContact C-N 3.28Å; D554-E556 PolarHBondContact O-N 3Å; D554-E556 PolarHBondContact OD2-N 2.89Å; D554-T557 WeakPolarHBondContact OD2-CB 3.44Å; D554-T557 PolarHBondContact OD2-N 2.88Å; D554-T557 PolarHBondContact OD2-OG1 2.73Å; D554-R558 WeakPolarHBondContact O-CA 3.41Å; D554-R558 PolarHBondContact O-N 3.43Å; D554-Q559 PolarHBondContact N-O 3.1Å; D554-V561 HydrophobicContact CB-CG1 4.29Å; D554-V561 HydrophobicContact CB-CG2 4.05Å
555	P	78.7	Confident	81.8	Confident	100 Å²	100	65 Å²	65	65%	0.649	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-21.4	-175.7	25.8	-35.8	0	0	0	114.4
556	E	75.3	Confident	82	Confident	101 Å²	101	62.3 Å²	62.3	47%	0.472	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-52.8	-174.6	-67.3	166.5	-146.4	0	0	110.8	R295 M355 K357 D554	R295-E556 VanDerWaalsContact NH2-CD 3.27Å; R295-E556 IonicContact NH2-OE1 3.12Å; R295-E556 PolarHBondContact NH2-OE1 3.19Å; R295-E556 IonicContact NH2-OE2 3.71Å; R295-E556 PolarHBondContact NH2-OE2 3.31Å; M355-E556 VanDerWaalsContact CE-OE2 3.25Å; M355-E556 WeakPolarHBondContact CE-OE2 3.39Å; K357-E556 IonicContact NZ-OE1 3.33Å; K357-E556 PolarHBondContact NZ-OE1 3.13Å; D554-E556 VanDerWaalsContact C-N 3.28Å; D554-E556 PolarHBondContact O-N 3Å; D554-E556 PolarHBondContact OD2-N 2.89Å
557	T	75.2	Confident	82.3	Confident	77 Å²	77	60.7 Å²	60.7	47%	0.472	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-20.9	176.5	60.3	0	0	0	0	113.7	D554 Q559	D554-T557 WeakPolarHBondContact OD2-CB 3.44Å; D554-T557 PolarHBondContact OD2-N 2.88Å; D554-T557 PolarHBondContact OD2-OG1 2.73Å; T557-Q559 PolarHBondContact O-N 3.19Å; T557-Q559 PolarHBondContact OG1-N 2.92Å
558	R	79.9	Confident	82.4	Confident	198 Å²	198	61.6 Å²	61.6	75%	0.747	31%	0.309	S	S	*	.			trans	60.7	9.1	-168.7	-58	179.8	174.1	-176.1	-2.4	114.9	K553 D554	K553-R558 WeakPolarHBondContact CE-O 3.27Å; D554-R558 WeakPolarHBondContact O-CA 3.41Å; D554-R558 PolarHBondContact O-N 3.43Å
559	Q	80	Confident	82.3	Confident	119 Å²	119	64 Å²	64	56%	0.556	32%	0.321	S	S	*	.			trans	-83.1	158.4	178.2	-64.7	-179.7	0.1	0	0	111	K553 D554 T557	K553-Q559 WeakPolarHBondContact CA-O 3.39Å; D554-Q559 PolarHBondContact N-O 3.1Å; T557-Q559 PolarHBondContact O-N 3.19Å; T557-Q559 PolarHBondContact OG1-N 2.92Å
560	L	82.7	Confident	82.5	Confident	89 Å²	89	64 Å²	64	47%	0.466	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	116.3	170.1	-66.2	175.8	0	0	0	108	V551 K553 A605	V551-L560 HydrophobicContact CG1-CB 3.82Å; V551-L560 HydrophobicContact CG1-CD2 4.08Å; V551-L560 HydrophobicContact CG1-CG 4.36Å; K553-L560 HydrophobicContact CB-CD2 4.05Å; K553-L560 HydrophobicContact CG-CD2 4.39Å; L560-A605 HydrophobicContact CD1-CB 4.12Å
561	V	81.8	Confident	82.6	Confident	48 Å²	48	61.5 Å²	61.5	29%	0.291	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.3	178	-64.4	0	0	0	0	109.7	V551 M552 D554	V551-V561 WeakPolarHBondContact CA-O 3.3Å; M552-V561 HydrophobicContact CB-CG2 4.47Å; M552-V561 PolarHBondContact N-O 3.14Å; M552-V561 WeakPolarHBondContact O-CG2 3.18Å; M552-V561 PolarHBondContact O-N 3.46Å; D554-V561 HydrophobicContact CB-CG1 4.29Å; D554-V561 HydrophobicContact CB-CG2 4.05Å
562	L	81.7	Confident	82.4	Confident	52 Å²	52	60.7 Å²	60.7	27%	0.272	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	121.9	172.9	-171.4	66.2	0	0	0	108.4	A549 V551 I602 L611	A549-L562 HydrophobicContact CB-CD1 3.88Å; A549-L562 HydrophobicContact CB-CG 4.11Å; V551-L562 HydrophobicContact CG2-CD1 3.95Å; L562-I602 HydrophobicContact CD1-CD1 4.23Å; L562-L611 HydrophobicContact CD2-CD1 3.99Å; L562-L611 HydrophobicContact CD2-CD2 4.33Å; L562-L611 HydrophobicContact CD2-CG 4.48Å
563	Q	82.1	Confident	82.6	Confident	50 Å²	50	57.2 Å²	57.2	23%	0.234	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.8	173.7	-71.5	-176.5	-12.9	0	0	109.2	A549 Y550	A549-Q563 CarbonylContact C-O 3.41Å; A549-Q563 WeakPolarHBondContact CA-O 2.85Å; A549-Q563 VanDerWaalsContact CB-O 3.24Å; A549-Q563 WeakPolarHBondContact CB-O 3.37Å; Y550-Q563 HydrophobicContact CD1-CB 4.42Å; Y550-Q563 HydrophobicContact CD2-CB 4.35Å; Y550-Q563 HydrophobicContact CE1-CB 4.03Å; Y550-Q563 HydrophobicContact CE2-CB 3.97Å; Y550-Q563 VanDerWaalsContact CE2-OE1 3.23Å; Y550-Q563 VanDerWaalsContact CZ-OE1 3.26Å; Y550-Q563 PolarHBondContact N-O 2.9Å; Y550-Q563 PolarHBondContact O-N 3.27Å; Y550-Q563 PolarHBondContact OH-OE1 3.32Å
564	T	81.4	Confident	82.9	Confident	59 Å²	59	51 Å²	51	36%	0.362	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	136	-178.2	43.7	0	0	0	0	111.1	V568 L569	T564-V568 HydrophobicContact CG2-CB 3.95Å; T564-V568 HydrophobicContact CG2-CG1 3.51Å; T564-L569 WeakPolarHBondContact OG1-CD2 3.24Å
565	G	85.4	Confident	83.6	Confident	4 Å²	4	50.3 Å²	50.3	4%	0.041	26%	0.262	C	S	.	.			trans	-89.9	-178	171.8	0	0	0	0	0	111.9	G546 T548 L567 V568 L569	G546-G565 CarbonylContact O-C 3.44Å; G546-G565 WeakPolarHBondContact O-CA 3.45Å; T548-G565 WeakPolarHBondContact O-CA 3.18Å; T548-G565 PolarHBondContact O-N 2.83Å; G565-L567 VanDerWaalsContact C-N 3.31Å; G565-L567 PolarHBondContact O-N 2.91Å; G565-V568 PolarHBondContact O-N 3.46Å; G565-V568 VanDerWaalsContact O-N 3.1Å; G565-L569 WeakPolarHBondContact O-CG 3.2Å; G565-L569 PolarHBondContact O-N 3.12Å
566	A	85.3	Confident	84.4	Confident	14 Å²	14	45.6 Å²	45.6	12%	0.116	23%	0.231	C	C	.	.	H	α-helix	trans	-56.4	-37.6	-169.3	0	0	0	0	0	114.5	T537 G546 L547 S570	T537-A566 HydrophobicContact CG2-CB 3.66Å; G546-A566 PolarHBondContact O-N 2.99Å; L547-A566 HydrophobicContact CD2-CB 4.43Å; L547-A566 PolarHBondContact O-N 3.44Å; A566-S570 PolarHBondContact O-N 3.37Å; A566-S570 PolarHBondContact O-OG 3.34Å
567	L	87.3	Confident	85.2	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-70.4	-39	179.2	-65.8	169.3	0	0	0	112	L547 G565 S570 C575 V590 L591 V594 T615	L547-L567 HydrophobicContact CB-CD1 4.07Å; L547-L567 HydrophobicContact CB-CG 4.4Å; L547-L567 VanDerWaalsContact O-CB 3.3Å; L547-L567 WeakPolarHBondContact O-CB 3.43Å; L547-L567 WeakPolarHBondContact O-CG 3.36Å; L547-L567 PolarHBondContact O-N 3.44Å; G565-L567 VanDerWaalsContact C-N 3.31Å; G565-L567 PolarHBondContact O-N 2.91Å; L567-S570 PolarHBondContact O-N 3.42Å; L567-S570 PolarHBondContact O-OG 3.43Å; L567-C575 HydrophobicContact CD2-CB 3.97Å; L567-V590 HydrophobicContact CD1-CG1 4.37Å; L567-L591 HydrophobicContact CD1-CD2 3.97Å; L567-L591 HydrophobicContact CD2-CD2 4.49Å; L567-V594 HydrophobicContact CD1-CG2 4.28Å; L567-T615 WeakPolarHBondContact O-CG2 3.14Å
568	V	87.4	Confident	86.1	Confident	20 Å²	20	38 Å²	38	12%	0.121	19%	0.191	C	C	.	.	H	α-helix	trans	-75.6	-31.6	-179.9	-173.6	0	0	0	0	111.1	T564 G565 S570 L600 L611	T564-V568 HydrophobicContact CG2-CB 3.95Å; T564-V568 HydrophobicContact CG2-CG1 3.51Å; G565-V568 PolarHBondContact O-N 3.46Å; G565-V568 VanDerWaalsContact O-N 3.1Å; V568-S570 VanDerWaalsContact C-N 3.33Å; V568-L600 HydrophobicContact CG2-CD2 4.38Å; V568-L611 HydrophobicContact CG1-CD1 4.31Å; V568-L611 HydrophobicContact CG2-CB 4.43Å; V568-L611 HydrophobicContact CG2-CD1 4.01Å
569	L	84.5	Confident	86.6	Confident	59 Å²	59	30.7 Å²	30.7	31%	0.309	17%	0.165	S	C	.	.	H	α-helix	trans	-66.1	-34.3	173.6	-69.1	169.8	0	0	0	112.6	Q535 T564 G565 D571	Q535-L569 HydrophobicContact CG-CB 4.43Å; T564-L569 WeakPolarHBondContact OG1-CD2 3.24Å; G565-L569 WeakPolarHBondContact O-CG 3.2Å; G565-L569 PolarHBondContact O-N 3.12Å; L569-D571 VanDerWaalsContact C-N 3.27Å; L569-D571 PolarHBondContact O-N 2.9Å
570	S	86.3	Confident	87	Confident	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	15.7	-179.1	44.9	0	0	0	0	114.8	R533 A566 L567 V568 N572 G573 T615	R533-S570 WeakPolarHBondContact O-CA 3.35Å; R533-S570 VanDerWaalsContact O-CB 3.32Å; R533-S570 WeakPolarHBondContact O-CB 3.42Å; A566-S570 PolarHBondContact O-N 3.37Å; A566-S570 PolarHBondContact O-OG 3.34Å; L567-S570 PolarHBondContact O-N 3.42Å; L567-S570 PolarHBondContact O-OG 3.43Å; V568-S570 VanDerWaalsContact C-N 3.33Å; S570-N572 PolarHBondContact O-N 3.47Å; S570-G573 CarbonylContact O-C 3.5Å; S570-G573 WeakPolarHBondContact O-CA 3.07Å; S570-G573 PolarHBondContact O-N 3.3Å; S570-T615 VanDerWaalsContact C-CG2 3.47Å; S570-T615 WeakPolarHBondContact O-CG2 3.39Å
571	D	86	Confident	87.3	Confident	29 Å²	29	22.9 Å²	22.9	16%	0.155	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	130.8	177.3	-166	62.7	0	0	0	112.5	R533 L569 G573 R614	R533-D571 VanDerWaalsContact CZ-O 3.25Å; R533-D571 PolarHBondContact NE-O 3.2Å; L569-D571 VanDerWaalsContact C-N 3.27Å; L569-D571 PolarHBondContact O-N 2.9Å; D571-G573 PolarHBondContact O-N 3.39Å; D571-R614 WeakPolarHBondContact OD1-CA 3.27Å; D571-R614 VanDerWaalsContact OD1-CB 3.31Å; D571-R614 WeakPolarHBondContact OD1-CB 3.44Å; D571-R614 PolarHBondContact OD1-N 3.17Å
572	N	82.9	Confident	87.6	Confident	25 Å²	25	24.5 Å²	24.5	13%	0.134	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	9.7	-171.1	-40.3	-78.2	0	0	0	116.2	L436 R493 S570 R614 R699	L436-N572 HydrophobicContact CD1-CB 3.62Å; R493-N572 PolarHBondContact NH1-OD1 3.08Å; R493-N572 PolarHBondContact NH2-OD1 3.13Å; S570-N572 PolarHBondContact O-N 3.47Å; N572-R614 VanDerWaalsContact CA-O 3.31Å; N572-R614 WeakPolarHBondContact CA-O 3.18Å; N572-R614 PolarHBondContact N-O 3.02Å; N572-R699 PolarHBondContact O-NH2 3.31Å
573	G	87.8	Confident	87.9	Confident	6 Å²	6	22.3 Å²	22.3	6%	0.062	12%	0.119	C	C	.	.	S	Bend	trans	-115.4	-158.1	175.1	0	0	0	0	0	113.4	S570 D571 A616	S570-G573 CarbonylContact O-C 3.5Å; S570-G573 WeakPolarHBondContact O-CA 3.07Å; S570-G573 PolarHBondContact O-N 3.3Å; D571-G573 PolarHBondContact O-N 3.39Å; G573-A616 PolarHBondContact O-N 2.93Å; G573-A616 VanDerWaalsContact O-N 3.12Å
574	I	91.6	Very high	88.2	Confident	6 Å²	6	22.9 Å²	22.9	3%	0.031	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.8	-179.1	-56.7	-170.5	0	0	0	110.1	Q487 L488 V527 V531 G534 Q535 A616 L618	Q487-I574 HydrophobicContact CG-CD1 4.07Å; L488-I574 HydrophobicContact CD2-CD1 3.81Å; V527-I574 HydrophobicContact CG1-CD1 3.94Å; V527-I574 HydrophobicContact CG1-CG2 4.43Å; V531-I574 HydrophobicContact CG1-CG1 4.48Å; V531-I574 HydrophobicContact CG2-CD1 4.09Å; V531-I574 HydrophobicContact CG2-CG1 4.24Å; G534-I574 WeakPolarHBondContact CA-O 2.83Å; Q535-I574 PolarHBondContact N-O 3.47Å; Q535-I574 VanDerWaalsContact N-O 3.12Å; I574-A616 CarbonylContact C-O 3.6Å; I574-A616 WeakPolarHBondContact CA-O 3.47Å; I574-A616 HydrophobicContact CG1-CB 4.25Å; I574-L618 HydrophobicContact CG2-CB 3.72Å
575	C	92.7	Very high	88.4	Confident	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	110.2	166.9	-170.6	0	0	0	0	109.5	L567 A616 L618	L567-C575 HydrophobicContact CD2-CB 3.97Å; C575-A616 PolarHBondContact N-O 3.22Å; C575-L618 PolarHBondContact O-N 3.1Å
576	C	94.3	Very high	88.4	Confident	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	121.9	173.6	-66	0	0	0	0	109.5	L524 Q535 Y536 T537 L618	L524-C576 HydrophobicContact CB-CB 4.34Å; L524-C576 HydrophobicContact CD2-CB 4.39Å; L524-C576 PolarHBondContact O-SG 3.37Å; Q535-C576 PolarHBondContact O-N 2.86Å; Y536-C576 HydrophobicContact CD2-CB 4Å; T537-C576 PolarHBondContact N-O 3.36Å; T537-C576 PolarHBondContact OG1-O 2.74Å; C576-L618 CarbonylContact C-O 3.53Å; C576-L618 VanDerWaalsContact CA-O 3.31Å; C576-L618 WeakPolarHBondContact CA-O 3.3Å
577	I	93.3	Very high	88.5	Confident	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	108.8	179	-49.8	-179.5	0	0	0	109.4	T537 F580 M583 L591 V617 L618 A619 A620	T537-I577 WeakPolarHBondContact O-CA 3.38Å; I577-F580 HydrophobicContact CB-CD2 4.37Å; I577-F580 HydrophobicContact CG2-CD2 4.07Å; I577-M583 HydrophobicContact CG2-SD 4.17Å; I577-L591 HydrophobicContact CD1-CD2 4.42Å; I577-V617 HydrophobicContact CD1-CG1 3.93Å; I577-V617 HydrophobicContact CG1-CG1 4.44Å; I577-L618 PolarHBondContact N-O 2.78Å; I577-A619 CarbonylContact O-C 3.52Å; I577-A619 WeakPolarHBondContact O-CA 3.24Å; I577-A620 PolarHBondContact O-N 2.81Å
578	D	92.9	Very high	88.4	Confident	18 Å²	18	32.2 Å²	32.2	10%	0.096	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	158.8	170.5	-159.8	0.3	0	0	0	111.2	S521 L524 Y536 T537 G539 F580	S521-D578 VanDerWaalsContact CB-OD2 3.27Å; S521-D578 WeakPolarHBondContact CB-OD2 3.43Å; S521-D578 PolarHBondContact OG-OD2 2.97Å; L524-D578 HydrophobicContact CD1-CB 3.86Å; Y536-D578 HydrophobicContact CE2-CB 4.43Å; Y536-D578 PolarHBondContact OH-OD2 3.28Å; T537-D578 PolarHBondContact O-N 3.14Å; G539-D578 PolarHBondContact N-O 2.74Å; D578-F580 VanDerWaalsContact C-N 3.32Å; D578-F580 PolarHBondContact O-N 2.73Å
579	E	90.5	Very high	88.3	Confident	45 Å²	45	34.4 Å²	34.4	21%	0.21	19%	0.187	C	C	.	.			trans	53.1	42.6	-175.6	-63.3	-156.7	130.8	0	0	113.9	K540 D581 K582 A620	K540-E579 WeakPolarHBondContact CD-OE2 3.49Å; K540-E579 IonicContact NZ-OE2 3.1Å; E579-D581 PolarHBondContact O-N 3.34Å; E579-D581 VanDerWaalsContact O-N 3.16Å; E579-K582 HydrophobicContact CB-CB 4.41Å; E579-K582 HydrophobicContact CB-CD 3.79Å; E579-K582 VanDerWaalsContact CD-CD 3.48Å; E579-K582 HydrophobicContact CG-CD 3.97Å; E579-K582 PolarHBondContact O-N 3.1Å; E579-K582 WeakPolarHBondContact OE1-CD 3.41Å; E579-K582 WeakPolarHBondContact OE1-CE 3.09Å; E579-K582 IonicContact OE1-NZ 3.88Å; E579-K582 PolarHBondContact OE1-NZ 2.93Å; E579-A620 PolarHBondContact N-O 3.16Å
580	F	90.1	Very high	88.4	Confident	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-58	-29.4	-179	-169.1	-85.5	0	0	0	113	I577 D578 K582 M583 L591 A619 A620 A621 L640 L644 F648	I577-F580 HydrophobicContact CB-CD2 4.37Å; I577-F580 HydrophobicContact CG2-CD2 4.07Å; D578-F580 VanDerWaalsContact C-N 3.32Å; D578-F580 PolarHBondContact O-N 2.73Å; F580-K582 VanDerWaalsContact C-N 3.29Å; F580-K582 PolarHBondContact O-N 3.36Å; F580-M583 HydrophobicContact CB-CE 4.42Å; F580-M583 HydrophobicContact CD1-CE 3.98Å; F580-M583 HydrophobicContact CD2-CE 3.29Å; F580-M583 HydrophobicContact CE1-CE 4.02Å; F580-M583 HydrophobicContact CE2-CE 3.35Å; F580-M583 HydrophobicContact CG-CE 3.63Å; F580-M583 HydrophobicContact CZ-CE 3.72Å; F580-L591 HydrophobicContact CE2-CD1 3.94Å; F580-L591 HydrophobicContact CZ-CD1 4.27Å; F580-A619 HydrophobicContact CB-CB 4.28Å; F580-A619 HydrophobicContact CD2-CB 3.51Å; F580-A619 HydrophobicContact CE2-CB 4.01Å; F580-A619 HydrophobicContact CG-CB 4.02Å; F580-A620 WeakPolarHBondContact CB-O 3.32Å; F580-A620 PolarHBondContact N-O 2.76Å; F580-A621 HydrophobicContact CB-CB 4.41Å; F580-L640 HydrophobicContact CD1-CD1 3.98Å; F580-L640 HydrophobicContact CD1-CD2 4.3Å; F580-L640 HydrophobicContact CE1-CD1 3.83Å; F580-L640 HydrophobicContact CE1-CD2 4.16Å; F580-L644 HydrophobicContact CE1-CD2 3.69Å; F580-L644 HydrophobicContact CE1-CG 4.45Å; F580-L644 HydrophobicContact CZ-CD2 3.84Å; F580-L644 HydrophobicContact CZ-CG 4.35Å; F580-F648 HydrophobicContact CE1-CE2 4.3Å; F580-F648 HydrophobicContact CE1-CZ 4.29Å; F580-F648 AromaticContact CE2-CZ 3.92Å; F580-F648 HydrophobicContact CE2-CZ 3.92Å; F580-F648 AromaticContact CZ-CE2 3.97Å; F580-F648 HydrophobicContact CZ-CE2 3.97Å; F580-F648 AromaticContact CZ-CZ 3.67Å; F580-F648 HydrophobicContact CZ-CZ 3.67Å
581	D	88.4	Confident	88.5	Confident	44 Å²	44	32.7 Å²	32.7	24%	0.235	18%	0.179	C	C	.	.	G	3₁₀ helix	trans	-62.5	-31.7	175	62.8	-63.2	0	0	0	113.1	E579 R588	E579-D581 PolarHBondContact O-N 3.34Å; E579-D581 VanDerWaalsContact O-N 3.16Å; D581-R588 PolarHBondContact O-NH2 3.12Å
582	K	87.4	Confident	88.6	Confident	81 Å²	81	33.8 Å²	33.8	35%	0.352	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-92.3	2.4	-174.7	-71.3	133.9	176.2	175.4	0	114.5	K540 E579 F580	K540-K582 HydrophobicContact CD-CB 4.32Å; K540-K582 HydrophobicContact CG-CB 3.73Å; E579-K582 HydrophobicContact CB-CB 4.41Å; E579-K582 HydrophobicContact CB-CD 3.79Å; E579-K582 VanDerWaalsContact CD-CD 3.48Å; E579-K582 HydrophobicContact CG-CD 3.97Å; E579-K582 PolarHBondContact O-N 3.1Å; E579-K582 WeakPolarHBondContact OE1-CD 3.41Å; E579-K582 WeakPolarHBondContact OE1-CE 3.09Å; E579-K582 IonicContact OE1-NZ 3.88Å; E579-K582 PolarHBondContact OE1-NZ 2.93Å; F580-K582 VanDerWaalsContact C-N 3.29Å; F580-K582 PolarHBondContact O-N 3.36Å
583	M	87.8	Confident	88.8	Confident	6 Å²	6	34.7 Å²	34.7	3%	0.03	19%	0.186	C	C	.	.			trans	-66.8	143.9	175.7	-74.2	-163.7	-58.9	0	0	112.8	G539 I577 F580 R588 L591	G539-M583 VanDerWaalsContact CA-CG 3.41Å; I577-M583 HydrophobicContact CG2-SD 4.17Å; F580-M583 HydrophobicContact CB-CE 4.42Å; F580-M583 HydrophobicContact CD1-CE 3.98Å; F580-M583 HydrophobicContact CD2-CE 3.29Å; F580-M583 HydrophobicContact CE1-CE 4.02Å; F580-M583 HydrophobicContact CE2-CE 3.35Å; F580-M583 HydrophobicContact CG-CE 3.63Å; F580-M583 HydrophobicContact CZ-CE 3.72Å; M583-R588 HydrophobicContact CB-CG 4.42Å; M583-R588 HydrophobicContact CE-CG 4.45Å; M583-R588 PolarHBondContact O-NE 3.38Å; M583-R588 PolarHBondContact O-NH2 3.2Å; M583-L591 HydrophobicContact CE-CD1 3.53Å; M583-L591 HydrophobicContact SD-CD1 4.08Å
584	S	88.4	Confident	88.9	Confident	62 Å²	62	34.5 Å²	34.5	43%	0.434	18%	0.184	S	C	.	.			trans	-65.6	156.6	171.7	72.8	0	0	0	0	112.9	N586 T587 R588	S584-N586 PolarHBondContact O-N 2.9Å; S584-T587 PolarHBondContact N-OG1 3.25Å; S584-T587 VanDerWaalsContact N-OG1 3.14Å; S584-T587 PolarHBondContact O-N 2.96Å; S584-T587 VanDerWaalsContact O-N 3.08Å; S584-T587 PolarHBondContact O-OG1 3.03Å; S584-T587 PolarHBondContact OG-N 3.41Å; S584-T587 PolarHBondContact OG-OG1 2.81Å; S584-R588 WeakPolarHBondContact O-CG 3.45Å; S584-R588 PolarHBondContact O-N 2.8Å; S584-R588 VanDerWaalsContact O-N 3.11Å
585	D	87	Confident	88.7	Confident	113 Å²	113	34.4 Å²	34.4	60%	0.604	18%	0.183	S	C	*	.	H	α-helix	trans	-68.2	-26	177.9	-60.4	-45	0	0	0	112.9	T587 R588 S589	D585-T587 VanDerWaalsContact C-N 3.33Å; D585-T587 PolarHBondContact O-N 2.9Å; D585-R588 PolarHBondContact O-N 2.79Å; D585-R588 WeakPolarHBondContact OD1-CD 3.37Å; D585-R588 IonicContact OD1-CZ 3.17Å; D585-R588 IonicContact OD1-NH1 3.26Å; D585-R588 PolarHBondContact OD1-NH1 3.09Å; D585-S589 PolarHBondContact O-N 3.28Å
586	N	85.3	Confident	88.2	Confident	122 Å²	122	38.1 Å²	38.1	65%	0.652	20%	0.201	S	C	*	.	H	α-helix	trans	-67.5	-28.6	171.6	-70.8	-11.6	0	0	0	113.4	S584 S589	S584-N586 PolarHBondContact O-N 2.9Å; N586-S589 PolarHBondContact O-OG 2.85Å; N586-S589 VanDerWaalsContact O-OG 3.1Å
587	T	85.5	Confident	87.7	Confident	1 Å²	1	43.7 Å²	43.7	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-80.1	-31.8	171.7	34.3	0	0	0	0	111.4	A544 L547 S584 D585 L591	A544-T587 VanDerWaalsContact CA-CG2 3.49Å; A544-T587 HydrophobicContact CB-CG2 3.77Å; L547-T587 HydrophobicContact CD1-CG2 3.97Å; S584-T587 PolarHBondContact N-OG1 3.25Å; S584-T587 VanDerWaalsContact N-OG1 3.14Å; S584-T587 PolarHBondContact O-N 2.96Å; S584-T587 VanDerWaalsContact O-N 3.08Å; S584-T587 PolarHBondContact O-OG1 3.03Å; S584-T587 PolarHBondContact OG-N 3.41Å; S584-T587 PolarHBondContact OG-OG1 2.81Å; D585-T587 VanDerWaalsContact C-N 3.33Å; D585-T587 PolarHBondContact O-N 2.9Å; T587-L591 PolarHBondContact O-N 3.41Å
588	R	85.4	Confident	87.4	Confident	39 Å²	39	44.6 Å²	44.6	15%	0.147	23%	0.231	C	C	.	.	H	α-helix	trans	-69.6	-36.8	176	-67	169.3	178	160.2	-4	113	D581 M583 S584 D585 V590 L591 H592	D581-R588 PolarHBondContact O-NH2 3.12Å; M583-R588 HydrophobicContact CB-CG 4.42Å; M583-R588 HydrophobicContact CE-CG 4.45Å; M583-R588 PolarHBondContact O-NE 3.38Å; M583-R588 PolarHBondContact O-NH2 3.2Å; S584-R588 WeakPolarHBondContact O-CG 3.45Å; S584-R588 PolarHBondContact O-N 2.8Å; S584-R588 VanDerWaalsContact O-N 3.11Å; D585-R588 PolarHBondContact O-N 2.79Å; D585-R588 WeakPolarHBondContact OD1-CD 3.37Å; D585-R588 IonicContact OD1-CZ 3.17Å; D585-R588 IonicContact OD1-NH1 3.26Å; D585-R588 PolarHBondContact OD1-NH1 3.09Å; R588-V590 VanDerWaalsContact C-N 3.33Å; R588-V590 PolarHBondContact O-N 3.11Å; R588-L591 PolarHBondContact O-N 2.97Å; R588-L591 VanDerWaalsContact O-N 3.16Å; R588-H592 PolarHBondContact O-CD2 3.27Å; R588-H592 PolarHBondContact O-N 3.43Å
589	S	86.1	Confident	87.2	Confident	66 Å²	66	44.6 Å²	44.6	46%	0.462	23%	0.232	S	C	.	.	H	α-helix	trans	-63.3	-36.7	177.1	62	0	0	0	0	112.9	D585 N586 H592	D585-S589 PolarHBondContact O-N 3.28Å; N586-S589 PolarHBondContact O-OG 2.85Å; N586-S589 VanDerWaalsContact O-OG 3.1Å; S589-H592 WeakPolarHBondContact O-CB 3.31Å; S589-H592 PolarHBondContact O-N 2.87Å
590	V	87.4	Confident	87.1	Confident	23 Å²	23	42.7 Å²	42.7	14%	0.139	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-46.8	170.4	164.1	0	0	0	0	111.6	A544 T548 L567 R588 H592 E593 V594 L600	A544-V590 HydrophobicContact CB-CG2 4.4Å; T548-V590 HydrophobicContact CG2-CB 4.1Å; T548-V590 HydrophobicContact CG2-CG1 3.21Å; T548-V590 HydrophobicContact CG2-CG2 3.72Å; L567-V590 HydrophobicContact CD1-CG1 4.37Å; R588-V590 VanDerWaalsContact C-N 3.33Å; R588-V590 PolarHBondContact O-N 3.11Å; V590-H592 PolarHBondContact O-N 3.41Å; V590-E593 WeakPolarHBondContact O-CB 3.38Å; V590-E593 PolarHBondContact O-N 3.44Å; V590-V594 HydrophobicContact CG1-CG2 4.41Å; V590-V594 PolarHBondContact O-N 3.21Å; V590-V594 VanDerWaalsContact O-N 3.14Å; V590-L600 HydrophobicContact CG1-CD1 3.96Å
591	L	87.2	Confident	86.9	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-26	179.3	-66.2	170.4	0	0	0	111.9	L567 I577 F580 M583 T587 R588 E593 M595	L567-L591 HydrophobicContact CD1-CD2 3.97Å; L567-L591 HydrophobicContact CD2-CD2 4.49Å; I577-L591 HydrophobicContact CD1-CD2 4.42Å; F580-L591 HydrophobicContact CE2-CD1 3.94Å; F580-L591 HydrophobicContact CZ-CD1 4.27Å; M583-L591 HydrophobicContact CE-CD1 3.53Å; M583-L591 HydrophobicContact SD-CD1 4.08Å; T587-L591 PolarHBondContact O-N 3.41Å; R588-L591 PolarHBondContact O-N 2.97Å; R588-L591 VanDerWaalsContact O-N 3.16Å; L591-E593 PolarHBondContact O-N 2.99Å; L591-M595 HydrophobicContact CB-SD 4.42Å; L591-M595 VanDerWaalsContact O-CB 3.26Å; L591-M595 WeakPolarHBondContact O-CB 3.42Å; L591-M595 VanDerWaalsContact O-CG 3.3Å; L591-M595 WeakPolarHBondContact O-CG 2.93Å; L591-M595 PolarHBondContact O-N 3.32Å
592	H	87.7	Confident	86.8	Confident	51 Å²	51	44.5 Å²	44.5	24%	0.236	24%	0.238	C	C	.	.	H	α-helix	trans	-67.3	-19.6	169.8	-70.8	-48.2	0	0	0	114.3	R588 S589 V590 R647	R588-H592 PolarHBondContact O-CD2 3.27Å; R588-H592 PolarHBondContact O-N 3.43Å; S589-H592 WeakPolarHBondContact O-CB 3.31Å; S589-H592 PolarHBondContact O-N 2.87Å; V590-H592 PolarHBondContact O-N 3.41Å; H592-R647 VanDerWaalsContact C-NH1 3.3Å; H592-R647 PolarHBondContact ND1-NE 3.15Å; H592-R647 PolarHBondContact O-NH1 2.81Å; H592-R647 PolarHBondContact O-NH2 3.48Å
593	E	88.3	Confident	86.7	Confident	45 Å²	45	44.4 Å²	44.4	21%	0.21	25%	0.253	C	S	.	.	H	α-helix	trans	-84.6	-59.5	171.1	-160.2	-178.4	167.8	0	0	109.4	V590 L591 M595 E596 Q597 S601	V590-E593 WeakPolarHBondContact O-CB 3.38Å; V590-E593 PolarHBondContact O-N 3.44Å; L591-E593 PolarHBondContact O-N 2.99Å; E593-M595 PolarHBondContact O-N 3.12Å; E593-E596 PolarHBondContact O-N 2.92Å; E593-E596 VanDerWaalsContact O-N 3.12Å; E593-Q597 PolarHBondContact O-N 2.68Å; E593-S601 VanDerWaalsContact OE1-CB 3.25Å; E593-S601 WeakPolarHBondContact OE1-CB 2.88Å; E593-S601 PolarHBondContact OE1-N 2.7Å; E593-S601 PolarHBondContact OE1-OG 3.26Å
594	V	88.9	Confident	86.5	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-57.7	-45.3	-174.1	179	0	0	0	0	112.4	L567 V590 E596 Q598 L600 A613	L567-V594 HydrophobicContact CD1-CG2 4.28Å; V590-V594 HydrophobicContact CG1-CG2 4.41Å; V590-V594 PolarHBondContact O-N 3.21Å; V590-V594 VanDerWaalsContact O-N 3.14Å; V594-E596 VanDerWaalsContact C-N 3.33Å; V594-E596 PolarHBondContact O-N 2.82Å; V594-Q598 VanDerWaalsContact O-CA 3.23Å; V594-Q598 WeakPolarHBondContact O-CA 3.42Å; V594-Q598 PolarHBondContact O-N 2.82Å; V594-L600 HydrophobicContact CG2-CB 4.35Å; V594-L600 HydrophobicContact CG2-CD1 3.78Å; V594-A613 HydrophobicContact CG1-CB 3.99Å
595	M	88	Confident	86.3	Confident	3 Å²	3	49.2 Å²	49.2	2%	0.015	28%	0.278	C	S	.	.	H	α-helix	trans	-72.3	-20.8	-177.9	-64.3	179.2	77.7	0	0	114.1	R505 N509 L591 E593 V617 L644 R647 F648	R505-M595 PolarHBondContact NH1-O 3.11Å; N509-M595 HydrophobicContact CB-CE 3.93Å; N509-M595 WeakPolarHBondContact ND2-CE 3.41Å; L591-M595 HydrophobicContact CB-SD 4.42Å; L591-M595 VanDerWaalsContact O-CB 3.26Å; L591-M595 WeakPolarHBondContact O-CB 3.42Å; L591-M595 VanDerWaalsContact O-CG 3.3Å; L591-M595 WeakPolarHBondContact O-CG 2.93Å; L591-M595 PolarHBondContact O-N 3.32Å; E593-M595 PolarHBondContact O-N 3.12Å; M595-V617 HydrophobicContact CG-CG2 4.28Å; M595-L644 HydrophobicContact SD-CD1 4.14Å; M595-R647 HydrophobicContact CB-CB 4.4Å; M595-R647 HydrophobicContact CE-CB 4.02Å; M595-F648 HydrophobicContact CE-CD1 3.85Å; M595-F648 HydrophobicContact CE-CD2 4.19Å; M595-F648 HydrophobicContact CE-CE1 3.65Å; M595-F648 HydrophobicContact CE-CE2 4.02Å; M595-F648 HydrophobicContact CE-CG 4.12Å; M595-F648 HydrophobicContact CE-CZ 3.75Å; M595-F648 HydrophobicContact SD-CZ 4.34Å
596	E	81.5	Confident	85.9	Confident	78 Å²	78	47.7 Å²	47.7	36%	0.364	29%	0.29	S	S	.	.	H	α-helix	trans	-90.3	-49.5	177.1	-159.3	80.9	176.5	0	0	111.1	E593 V594 R647 R736	E593-E596 PolarHBondContact O-N 2.92Å; E593-E596 VanDerWaalsContact O-N 3.12Å; V594-E596 VanDerWaalsContact C-N 3.33Å; V594-E596 PolarHBondContact O-N 2.82Å; E596-R647 IonicContact OE2-CZ 2.65Å; E596-R647 VanDerWaalsContact OE2-CZ 3.3Å; E596-R647 IonicContact OE2-NE 3.81Å; E596-R647 IonicContact OE2-NH1 2.8Å; E596-R647 PolarHBondContact OE2-NH1 2.82Å; E596-R647 IonicContact OE2-NH2 3.73Å; E596-R736 IonicContact OE1-CZ 3.77Å; E596-R736 IonicContact OE1-NE 3.93Å; E596-R736 PolarHBondContact OE1-NE 2.91Å; E596-R736 IonicContact OE1-NH2 3.26Å; E596-R736 PolarHBondContact OE1-NH2 2.94Å; E596-R736 IonicContact OE2-CZ 3.73Å; E596-R736 IonicContact OE2-NE 3.78Å; E596-R736 IonicContact OE2-NH2 3.95Å; E596-R736 PolarHBondContact OE2-NH2 2.84Å; E596-R736 VanDerWaalsContact OE2-NH2 3.07Å
597	Q	84.6	Confident	85.8	Confident	118 Å²	118	44.3 Å²	44.3	55%	0.551	27%	0.271	S	S	*	.	H	α-helix	trans	-103.4	-14	-165.9	-67.6	174.2	-6.7	0	0	113.2	E593 T599	E593-Q597 PolarHBondContact O-N 2.68Å; Q597-T599 PolarHBondContact O-N 2.72Å; Q597-T599 VanDerWaalsContact O-N 3.12Å
598	Q	87.7	Confident	86	Confident	20 Å²	20	51.4 Å²	51.4	9%	0.093	31%	0.307	C	S	.	.	S	Bend	trans	52.4	25.8	-168.8	-62.6	-175.2	-64.1	0	0	113.5	R505 E507 V594 A613 R614	R505-Q598 HydrophobicContact CB-CG 4.42Å; R505-Q598 HydrophobicContact CG-CG 4.16Å; E507-Q598 VanDerWaalsContact CD-NE2 3.26Å; E507-Q598 PolarHBondContact OE2-NE2 3.08Å; V594-Q598 VanDerWaalsContact O-CA 3.23Å; V594-Q598 WeakPolarHBondContact O-CA 3.42Å; V594-Q598 PolarHBondContact O-N 2.82Å; Q598-A613 CarbonylContact O-C 3.55Å; Q598-A613 PolarHBondContact O-N 3.48Å; Q598-R614 HydrophobicContact CB-CG 4.11Å
599	T	87.6	Confident	86	Confident	18 Å²	18	51.2 Å²	51.2	11%	0.11	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	157.9	173.8	65.8	0	0	0	0	110.4	Q597 Q610 L611	Q597-T599 PolarHBondContact O-N 2.72Å; Q597-T599 VanDerWaalsContact O-N 3.12Å; T599-Q610 HydrophobicContact CG2-CG 4.39Å; T599-Q610 PolarHBondContact OG1-NE2 3.19Å; T599-L611 CarbonylContact C-O 3.03Å; T599-L611 VanDerWaalsContact CA-O 3.32Å; T599-L611 WeakPolarHBondContact CA-O 3.33Å
600	L	87.8	Confident	86	Confident	4 Å²	4	54.3 Å²	54.3	2%	0.021	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	111.3	180	-178.8	103.6	0	0	0	109.1	T548 V568 V590 V594 I602 L611	T548-L600 HydrophobicContact CG2-CD1 3.53Å; T548-L600 HydrophobicContact CG2-CD2 4.38Å; V568-L600 HydrophobicContact CG2-CD2 4.38Å; V590-L600 HydrophobicContact CG1-CD1 3.96Å; V594-L600 HydrophobicContact CG2-CB 4.35Å; V594-L600 HydrophobicContact CG2-CD1 3.78Å; L600-I602 HydrophobicContact CD2-CD1 3.6Å; L600-I602 HydrophobicContact CD2-CG1 3.67Å; L600-I602 HydrophobicContact CG-CG1 4.34Å; L600-L611 HydrophobicContact CD2-CD1 4.32Å; L600-L611 PolarHBondContact N-O 3.39Å; L600-L611 PolarHBondContact O-N 3Å
601	S	86.3	Confident	86	Confident	73 Å²	73	55 Å²	55	51%	0.51	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	129.4	175.6	62.3	0	0	0	0	111.4	E593	E593-S601 VanDerWaalsContact OE1-CB 3.25Å; E593-S601 WeakPolarHBondContact OE1-CB 2.88Å; E593-S601 PolarHBondContact OE1-N 2.7Å; E593-S601 PolarHBondContact OE1-OG 3.26Å
602	I	86.1	Confident	85.8	Confident	10 Å²	10	58.8 Å²	58.8	5%	0.051	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	119.4	175.8	-54.5	-179.9	0	0	0	108.9	A549 L562 L600 K604 I608 C609 L611	A549-I602 HydrophobicContact CB-CD1 3.6Å; L562-I602 HydrophobicContact CD1-CD1 4.23Å; L600-I602 HydrophobicContact CD2-CD1 3.6Å; L600-I602 HydrophobicContact CD2-CG1 3.67Å; L600-I602 HydrophobicContact CG-CG1 4.34Å; I602-K604 HydrophobicContact CG2-CB 3.94Å; I602-K604 HydrophobicContact CG2-CD 3.98Å; I602-K604 HydrophobicContact CG2-CG 3.86Å; I602-I608 CarbonylContact O-C 3.5Å; I602-I608 WeakPolarHBondContact O-CA 3.41Å; I602-C609 PolarHBondContact N-O 3.04Å; I602-C609 PolarHBondContact O-N 3.18Å; I602-L611 HydrophobicContact CD1-CD1 3.98Å
603	A	85.5	Confident	85.7	Confident	79 Å²	79	56.4 Å²	56.4	65%	0.653	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	89.5	165.3	0	0	0	0	0	108.9	I607 I608	A603-I607 WeakPolarHBondContact CA-O 3.22Å; A603-I608 HydrophobicContact CB-CG1 4.27Å
604	K	84.9	Confident	85.6	Confident	98 Å²	98	58 Å²	58	43%	0.426	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	138.4	-178.2	-70.6	-178.9	-174.7	166.8	0	111.3	V551 I602 G606 I607	V551-K604 HydrophobicContact CG2-CB 4.3Å; I602-K604 HydrophobicContact CG2-CB 3.94Å; I602-K604 HydrophobicContact CG2-CD 3.98Å; I602-K604 HydrophobicContact CG2-CG 3.86Å; K604-G606 PolarHBondContact O-N 2.7Å; K604-G606 VanDerWaalsContact O-N 3.13Å; K604-I607 PolarHBondContact N-O 3.44Å; K604-I607 PolarHBondContact O-N 3.32Å
605	A	82.4	Confident	85.6	Confident	70 Å²	70	58.2 Å²	58.2	58%	0.579	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	35	174.2	0	0	0	0	0	115.1	V551 L560 I607	V551-A605 HydrophobicContact CG1-CB 4.27Å; L560-A605 HydrophobicContact CD1-CB 4.12Å; A605-I607 VanDerWaalsContact C-N 3.28Å; A605-I607 PolarHBondContact O-N 2.7Å
606	G	80.1	Confident	85.7	Confident	82 Å²	82	58.2 Å²	58.2	85%	0.845	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.7	-7.3	-178.2	0	0	0	0	0	115.1	K604	K604-G606 PolarHBondContact O-N 2.7Å; K604-G606 VanDerWaalsContact O-N 3.13Å
607	I	82.9	Confident	86.3	Confident	50 Å²	50	54.6 Å²	54.6	26%	0.256	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	116.8	172.2	-54.5	175.4	0	0	0	107.8	V551 A603 K604 A605 C609	V551-I607 HydrophobicContact CG1-CD1 4.49Å; A603-I607 WeakPolarHBondContact CA-O 3.22Å; K604-I607 PolarHBondContact N-O 3.44Å; K604-I607 PolarHBondContact O-N 3.32Å; A605-I607 VanDerWaalsContact C-N 3.28Å; A605-I607 PolarHBondContact O-N 2.7Å; I607-C609 HydrophobicContact CG2-CB 4.27Å
608	I	89.4	Confident	86.8	Confident	150 Å²	150	49 Å²	49	77%	0.769	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.1	111.6	168.9	-55.2	175.8	0	0	0	106.3	I602 A603	I602-I608 CarbonylContact O-C 3.5Å; I602-I608 WeakPolarHBondContact O-CA 3.41Å; A603-I608 HydrophobicContact CB-CG1 4.27Å
609	C	85.4	Confident	87	Confident	35 Å²	35	48 Å²	48	24%	0.236	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	150	-178.9	61.9	0	0	0	0	110.6	I602 I607	I602-C609 PolarHBondContact N-O 3.04Å; I602-C609 PolarHBondContact O-N 3.18Å; I607-C609 HydrophobicContact CG2-CB 4.27Å
610	Q	86.9	Confident	87.3	Confident	131 Å²	131	47.2 Å²	47.2	61%	0.612	28%	0.284	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.9	110.8	168.5	-173.5	173	2.9	0	0	106.5	T599	T599-Q610 HydrophobicContact CG2-CG 4.39Å; T599-Q610 PolarHBondContact OG1-NE2 3.19Å
611	L	86.3	Confident	87.4	Confident	38 Å²	38	47.1 Å²	47.1	20%	0.199	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	143.6	174.7	-62.2	177.4	0	0	0	108.8	A549 L562 V568 T599 L600 I602	A549-L611 HydrophobicContact CB-CD1 3.93Å; L562-L611 HydrophobicContact CD2-CD1 3.99Å; L562-L611 HydrophobicContact CD2-CD2 4.33Å; L562-L611 HydrophobicContact CD2-CG 4.48Å; V568-L611 HydrophobicContact CG1-CD1 4.31Å; V568-L611 HydrophobicContact CG2-CB 4.43Å; V568-L611 HydrophobicContact CG2-CD1 4.01Å; T599-L611 CarbonylContact C-O 3.03Å; T599-L611 VanDerWaalsContact CA-O 3.32Å; T599-L611 WeakPolarHBondContact CA-O 3.33Å; L600-L611 HydrophobicContact CD2-CD1 4.32Å; L600-L611 PolarHBondContact N-O 3.39Å; L600-L611 PolarHBondContact O-N 3Å; I602-L611 HydrophobicContact CD1-CD1 3.98Å
612	N	84.3	Confident	87.6	Confident	80 Å²	80	45 Å²	45	43%	0.428	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	139.6	168.5	-64.2	-24.8	0	0	0	108.8
613	A	85.1	Confident	87.7	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	27%	0.266	C	S	.	.			trans	-142	71.9	177.8	0	0	0	0	0	107.9	V594 Q598 T615	V594-A613 HydrophobicContact CG1-CB 3.99Å; Q598-A613 CarbonylContact O-C 3.55Å; Q598-A613 PolarHBondContact O-N 3.48Å; A613-T615 PolarHBondContact O-N 2.97Å
614	R	86.1	Confident	87.7	Confident	80 Å²	80	45.5 Å²	45.5	30%	0.302	26%	0.262	S	S	.	.			trans	-83.4	72.8	178.7	-58.7	168.5	179	178	-2.2	108.1	E507 D571 N572 Q598	E507-R614 VanDerWaalsContact OE2-O 3.11Å; D571-R614 WeakPolarHBondContact OD1-CA 3.27Å; D571-R614 VanDerWaalsContact OD1-CB 3.31Å; D571-R614 WeakPolarHBondContact OD1-CB 3.44Å; D571-R614 PolarHBondContact OD1-N 3.17Å; N572-R614 VanDerWaalsContact CA-O 3.31Å; N572-R614 WeakPolarHBondContact CA-O 3.18Å; N572-R614 PolarHBondContact N-O 3.02Å; Q598-R614 HydrophobicContact CB-CG 4.11Å
615	T	88.8	Confident	87.7	Confident	5 Å²	5	45.5 Å²	45.5	3%	0.031	26%	0.264	C	S	.	.			trans	-116.6	132.2	-176.9	64.8	0	0	0	0	111.6	E507 L567 S570 A613	E507-T615 WeakPolarHBondContact OE2-CA 3.27Å; E507-T615 PolarHBondContact OE2-N 2.97Å; L567-T615 WeakPolarHBondContact O-CG2 3.14Å; S570-T615 VanDerWaalsContact C-CG2 3.47Å; S570-T615 WeakPolarHBondContact O-CG2 3.39Å; A613-T615 PolarHBondContact O-N 2.97Å
616	A	90.8	Very high	87.8	Confident	4 Å²	4	45.6 Å²	45.6	3%	0.033	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	127.4	163.5	0	0	0	0	0	109.3	Q487 E507 G573 I574 C575	Q487-A616 HydrophobicContact CG-CB 4.17Å; E507-A616 HydrophobicContact CB-CB 4.13Å; E507-A616 HydrophobicContact CG-CB 4.35Å; E507-A616 PolarHBondContact OE2-N 3.46Å; G573-A616 PolarHBondContact O-N 2.93Å; G573-A616 VanDerWaalsContact O-N 3.12Å; I574-A616 CarbonylContact C-O 3.6Å; I574-A616 WeakPolarHBondContact CA-O 3.47Å; I574-A616 HydrophobicContact CG1-CB 4.25Å; C575-A616 PolarHBondContact N-O 3.22Å
617	V	93.3	Very high	88	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.006	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	125.1	175.9	-178.8	0	0	0	0	109.1	Q487 N509 I510 I577 M595 A619 F648	Q487-V617 PolarHBondContact NE2-O 3.34Å; Q487-V617 VanDerWaalsContact NE2-O 3.15Å; N509-V617 WeakPolarHBondContact CA-O 3.32Å; N509-V617 PolarHBondContact OD1-N 3.39Å; I510-V617 PolarHBondContact N-O 2.88Å; I577-V617 HydrophobicContact CD1-CG1 3.93Å; I577-V617 HydrophobicContact CG1-CG1 4.44Å; M595-V617 HydrophobicContact CG-CG2 4.28Å; V617-A619 HydrophobicContact CG1-CB 4.29Å; V617-F648 HydrophobicContact CG1-CE1 4.32Å
618	L	94.3	Very high	88.1	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	104.7	168.5	-179.9	62.7	0	0	0	108	I510 L512 L523 L524 V527 I574 C575 C576 I577	I510-L618 HydrophobicContact CB-CD1 3.75Å; I510-L618 HydrophobicContact CG2-CD1 3.84Å; L512-L618 HydrophobicContact CD1-CD1 4.34Å; L512-L618 HydrophobicContact CG-CD1 4.31Å; L523-L618 HydrophobicContact CD2-CD2 4.39Å; L524-L618 HydrophobicContact CD2-CB 4.4Å; L524-L618 HydrophobicContact CD2-CD1 4.43Å; L524-L618 HydrophobicContact CD2-CD2 3.65Å; L524-L618 HydrophobicContact CD2-CG 3.49Å; L524-L618 VanDerWaalsContact CD2-CG 3.49Å; V527-L618 HydrophobicContact CB-CD2 4.12Å; V527-L618 HydrophobicContact CG1-CD2 3.96Å; V527-L618 HydrophobicContact CG2-CD2 4.12Å; I574-L618 HydrophobicContact CG2-CB 3.72Å; C575-L618 PolarHBondContact O-N 3.1Å; C576-L618 CarbonylContact C-O 3.53Å; C576-L618 VanDerWaalsContact CA-O 3.31Å; C576-L618 WeakPolarHBondContact CA-O 3.3Å; I577-L618 PolarHBondContact N-O 2.78Å
619	A	93	Very high	87.8	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.9	-173.7	0	0	0	0	0	111.8	I510 L511 L512 I577 F580 V617 F648	I510-A619 PolarHBondContact O-N 3.43Å; L511-A619 HydrophobicContact CD1-CB 3.72Å; L512-A619 PolarHBondContact N-O 3.42Å; I577-A619 CarbonylContact O-C 3.52Å; I577-A619 WeakPolarHBondContact O-CA 3.24Å; F580-A619 HydrophobicContact CB-CB 4.28Å; F580-A619 HydrophobicContact CD2-CB 3.51Å; F580-A619 HydrophobicContact CE2-CB 4.01Å; F580-A619 HydrophobicContact CG-CB 4.02Å; V617-A619 HydrophobicContact CG1-CB 4.29Å; A619-F648 HydrophobicContact CB-CE1 4.1Å; A619-F648 HydrophobicContact CB-CZ 4.19Å
620	A	92.8	Very high	87.4	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.008	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	134.8	165.2	0	0	0	0	0	111	L512 K520 L524 I577 E579 F580	L512-A620 CarbonylContact O-C 3.59Å; L512-A620 WeakPolarHBondContact O-CA 3.34Å; K520-A620 HydrophobicContact CB-CB 4.21Å; K520-A620 HydrophobicContact CD-CB 4.48Å; L524-A620 HydrophobicContact CD1-CB 3.62Å; L524-A620 HydrophobicContact CG-CB 4.28Å; I577-A620 PolarHBondContact O-N 2.81Å; E579-A620 PolarHBondContact N-O 3.16Å; F580-A620 WeakPolarHBondContact CB-O 3.32Å; F580-A620 PolarHBondContact N-O 2.76Å
621	A	91.2	Very high	87	Confident	3 Å²	3	42.2 Å²	42.2	3%	0.025	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	154.2	176.7	0	0	0	0	0	110.9	L511 L512 C513 G514 K520 F580	L511-A621 HydrophobicContact CD1-CB 4Å; L512-A621 PolarHBondContact O-N 2.93Å; C513-A621 WeakPolarHBondContact CA-O 3.31Å; G514-A621 PolarHBondContact N-O 3.16Å; K520-A621 PolarHBondContact NZ-O 2.83Å; F580-A621 HydrophobicContact CB-CB 4.41Å
622	N	90.2	Very high	86.7	Confident	29 Å²	29	43.6 Å²	43.6	16%	0.155	22%	0.222	C	C	.	.			trans	-115.5	150.1	171.2	-55.7	-59.8	0	0	0	108.7	K520	K520-N622 PolarHBondContact NZ-OD1 3.16Å
623	P	88.6	Confident	86.4	Confident	3 Å²	3	40.7 Å²	40.7	2%	0.019	21%	0.207	C	C	.	.			trans	-67.6	156.1	174	30.6	-36.2	0	0	0	110.6	G514 E625 S626 W628 N637	G514-P623 WeakPolarHBondContact O-CD 3.32Å; P623-E625 VanDerWaalsContact C-N 3.29Å; P623-E625 PolarHBondContact O-N 2.91Å; P623-S626 WeakPolarHBondContact CG-O 3.49Å; P623-S626 WeakPolarHBondContact O-CA 3.49Å; P623-S626 PolarHBondContact O-N 2.64Å; P623-W628 HydrophobicContact CB-CE3 4.31Å; P623-N637 VanDerWaalsContact CA-O 3.27Å; P623-N637 WeakPolarHBondContact CA-O 3.26Å
624	V	85.6	Confident	86.1	Confident	95 Å²	95	41.5 Å²	41.5	58%	0.576	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-40.3	-174	179.4	0	0	0	0	113.3	S626 N637 Q639	V624-S626 PolarHBondContact O-N 2.91Å; V624-N637 PolarHBondContact N-O 2.96Å; V624-N637 VanDerWaalsContact N-O 3.1Å; V624-Q639 HydrophobicContact CG2-CB 3.31Å; V624-Q639 HydrophobicContact CG2-CG 3.93Å
625	E	84.1	Confident	85.8	Confident	99 Å²	99	39.3 Å²	39.3	46%	0.463	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	10.1	-179.3	-68.4	-178.5	159.2	0	0	112.8	P623 Q627 N629 K632	P623-E625 VanDerWaalsContact C-N 3.29Å; P623-E625 PolarHBondContact O-N 2.91Å; E625-Q627 PolarHBondContact O-N 2.62Å; E625-N629 PolarHBondContact OE2-ND2 3.11Å; E625-K632 IonicContact OE1-NZ 3.07Å; E625-K632 PolarHBondContact OE1-NZ 2.74Å; E625-K632 IonicContact OE2-NZ 3.45Å; E625-K632 PolarHBondContact OE2-NZ 3.24Å
626	S	84.4	Confident	85.5	Confident	72 Å²	72	44.1 Å²	44.1	50%	0.503	23%	0.228	S	C	.	.	S	Bend	trans	61	-35.5	-167.8	-54.4	0	0	0	0	115	P516 P623 V624	P516-S626 WeakPolarHBondContact CD-O 3.48Å; P623-S626 WeakPolarHBondContact CG-O 3.49Å; P623-S626 WeakPolarHBondContact O-CA 3.49Å; P623-S626 PolarHBondContact O-N 2.64Å; V624-S626 PolarHBondContact O-N 2.91Å
627	Q	84.3	Confident	85.1	Confident	94 Å²	94	44.2 Å²	44.2	44%	0.439	23%	0.228	S	C	.	.	S	Bend	trans	-98.5	143.7	169.3	-165.7	67.2	40.4	0	0	111.2	D515 E625 N629	D515-Q627 VanDerWaalsContact CG-NE2 3.3Å; D515-Q627 WeakPolarHBondContact OD1-CA 3.35Å; D515-Q627 PolarHBondContact OD2-NE2 3.35Å; D515-Q627 VanDerWaalsContact OD2-NE2 3.08Å; E625-Q627 PolarHBondContact O-N 2.62Å; Q627-N629 PolarHBondContact O-N 3.1Å
628	W	84.3	Confident	84.5	Confident	12 Å²	12	44.7 Å²	44.7	5%	0.045	23%	0.23	C	C	.	.			trans	-65	120.2	170.3	-169.7	-97.9	0	0	0	111.7	D515 P623 P630 T634 N637 I638 L653 L655 V785	D515-W628 PolarHBondContact OD1-N 3.13Å; P623-W628 HydrophobicContact CB-CE3 4.31Å; W628-P630 WeakPolarHBondContact O-CD 3.42Å; W628-T634 HydrophobicContact CH2-CG2 3.9Å; W628-T634 HydrophobicContact CZ2-CG2 4.43Å; W628-N637 VanDerWaalsContact CE2-ND2 3.35Å; W628-N637 HydrophobicContact CE3-CB 3.98Å; W628-N637 HydrophobicContact CH2-CB 3.74Å; W628-N637 HydrophobicContact CZ2-CB 4.34Å; W628-N637 WeakPolarHBondContact CZ2-ND2 3.44Å; W628-N637 HydrophobicContact CZ3-CB 3.54Å; W628-I638 HydrophobicContact CZ3-CG1 4.3Å; W628-L653 HydrophobicContact CH2-CD2 4.31Å; W628-L653 HydrophobicContact CZ3-CD2 4.4Å; W628-L655 HydrophobicContact CB-CD2 3.85Å; W628-L655 HydrophobicContact CD2-CD2 3.6Å; W628-L655 HydrophobicContact CE3-CD2 4.13Å; W628-L655 HydrophobicContact CG-CD2 3.44Å; W628-L655 VanDerWaalsContact CG-CD2 3.44Å; W628-V785 HydrophobicContact CZ2-CG2 4.33Å
629	N	83.3	Confident	83.9	Confident	47 Å²	47	51.1 Å²	51.1	25%	0.251	26%	0.26	S	S	.	.			trans	-98.5	107	177.1	-163.9	-24.6	0	0	0	109.6	E625 Q627 K631 K632 N637	E625-N629 PolarHBondContact OE2-ND2 3.11Å; Q627-N629 PolarHBondContact O-N 3.1Å; N629-K631 PolarHBondContact O-N 2.82Å; N629-K631 VanDerWaalsContact O-N 3.11Å; N629-K631 PolarHBondContact OD1-N 3.14Å; N629-K632 HydrophobicContact CB-CD 4.37Å; N629-K632 PolarHBondContact O-N 3.25Å; N629-N637 PolarHBondContact O-ND2 3.45Å
630	P	77	Confident	83.4	Confident	50 Å²	50	51.6 Å²	51.6	33%	0.325	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-10.3	-175.2	28.5	-36	0	0	0	113.6	W628 K632 I787	W628-P630 WeakPolarHBondContact O-CD 3.42Å; P630-K632 VanDerWaalsContact C-N 3.34Å; P630-I787 HydrophobicContact CB-CD1 4.08Å; P630-I787 HydrophobicContact CG-CD1 4.14Å
631	K	78.7	Confident	83	Confident	173 Å²	173	54.7 Å²	54.7	75%	0.752	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-3.6	177.6	-59.6	-179.8	-177.9	174.8	0	113.8	N629 F784	N629-K631 PolarHBondContact O-N 2.82Å; N629-K631 VanDerWaalsContact O-N 3.11Å; N629-K631 PolarHBondContact OD1-N 3.14Å; K631-F784 VanDerWaalsContact O-CE1 3.25Å; K631-F784 WeakPolarHBondContact O-CE1 3.35Å
632	K	80.1	Confident	82.5	Confident	68 Å²	68	58.7 Å²	58.7	30%	0.296	30%	0.301	S	S	.	.	S	Bend	trans	-111.9	158.1	176.4	-68.8	-179.3	-176.9	168	0	109.8	E625 N629 P630 N637	E625-K632 IonicContact OE1-NZ 3.07Å; E625-K632 PolarHBondContact OE1-NZ 2.74Å; E625-K632 IonicContact OE2-NZ 3.45Å; E625-K632 PolarHBondContact OE2-NZ 3.24Å; N629-K632 HydrophobicContact CB-CD 4.37Å; N629-K632 PolarHBondContact O-N 3.25Å; P630-K632 VanDerWaalsContact C-N 3.34Å; K632-N637 WeakPolarHBondContact CB-OD1 3.48Å; K632-N637 WeakPolarHBondContact CD-OD1 3.46Å
633	T	78.8	Confident	82.1	Confident	19 Å²	19	61.2 Å²	61.2	12%	0.117	32%	0.317	C	S	.	.			trans	-73.3	154.1	176	62.7	0	0	0	0	111.3	I635 E636 N637	T633-I635 PolarHBondContact O-N 3.3Å; T633-I635 VanDerWaalsContact O-N 3.16Å; T633-I635 VanDerWaalsContact OG1-CG2 3.27Å; T633-I635 WeakPolarHBondContact OG1-CG2 3.36Å; T633-E636 WeakPolarHBondContact CB-OE2 3.36Å; T633-E636 PolarHBondContact N-OE2 2.77Å; T633-E636 PolarHBondContact O-N 3.36Å; T633-E636 VanDerWaalsContact O-N 3.12Å; T633-E636 VanDerWaalsContact OG1-CG 3.26Å; T633-E636 WeakPolarHBondContact OG1-CG 3.48Å; T633-E636 PolarHBondContact OG1-OE2 3.08Å; T633-N637 PolarHBondContact O-N 3.47Å; T633-N637 VanDerWaalsContact O-N 3.11Å
634	T	78.3	Confident	82	Confident	17 Å²	17	61 Å²	61	10%	0.104	32%	0.316	C	S	.	.	H	α-helix	trans	-54.1	-35.6	178.4	-56.2	0	0	0	0	112.7	W628 I638 L653	W628-T634 HydrophobicContact CH2-CG2 3.9Å; W628-T634 HydrophobicContact CZ2-CG2 4.43Å; T634-I638 HydrophobicContact CG2-CD1 4.08Å; T634-I638 WeakPolarHBondContact O-CD1 3.03Å; T634-I638 VanDerWaalsContact O-CG1 3.3Å; T634-I638 WeakPolarHBondContact O-CG1 3.28Å; T634-I638 PolarHBondContact O-N 3.39Å; T634-L653 HydrophobicContact CG2-CD1 3.93Å; T634-L653 HydrophobicContact CG2-CD2 4.37Å
635	I	80.4	Confident	82	Confident	33 Å²	33	57 Å²	57	17%	0.169	29%	0.291	C	S	.	.	H	α-helix	trans	-70.1	-41.5	179	-178.3	64.7	0	0	0	112.6	T633 I638 Q639 L645	T633-I635 PolarHBondContact O-N 3.3Å; T633-I635 VanDerWaalsContact O-N 3.16Å; T633-I635 VanDerWaalsContact OG1-CG2 3.27Å; T633-I635 WeakPolarHBondContact OG1-CG2 3.36Å; I635-I638 PolarHBondContact O-N 2.93Å; I635-Q639 PolarHBondContact O-N 3.06Å; I635-L645 HydrophobicContact CD1-CD1 3.3Å
636	E	81.8	Confident	82	Confident	107 Å²	107	53.3 Å²	53.3	50%	0.5	28%	0.276	S	S	.	.	H	α-helix	trans	-69.5	-35.8	178.9	-69.5	165.1	139.9	0	0	112.3	T633 I638	T633-E636 WeakPolarHBondContact CB-OE2 3.36Å; T633-E636 PolarHBondContact N-OE2 2.77Å; T633-E636 PolarHBondContact O-N 3.36Å; T633-E636 VanDerWaalsContact O-N 3.12Å; T633-E636 VanDerWaalsContact OG1-CG 3.26Å; T633-E636 WeakPolarHBondContact OG1-CG 3.48Å; T633-E636 PolarHBondContact OG1-OE2 3.08Å; E636-I638 VanDerWaalsContact C-N 3.28Å; E636-I638 PolarHBondContact O-N 3.13Å
637	N	83.2	Confident	82.2	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.027	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-29.4	178	-80.3	-19	0	0	0	113	P623 V624 W628 N629 K632 T633	P623-N637 VanDerWaalsContact CA-O 3.27Å; P623-N637 WeakPolarHBondContact CA-O 3.26Å; V624-N637 PolarHBondContact N-O 2.96Å; V624-N637 VanDerWaalsContact N-O 3.1Å; W628-N637 VanDerWaalsContact CE2-ND2 3.35Å; W628-N637 HydrophobicContact CE3-CB 3.98Å; W628-N637 HydrophobicContact CH2-CB 3.74Å; W628-N637 HydrophobicContact CZ2-CB 4.34Å; W628-N637 WeakPolarHBondContact CZ2-ND2 3.44Å; W628-N637 HydrophobicContact CZ3-CB 3.54Å; N629-N637 PolarHBondContact O-ND2 3.45Å; K632-N637 WeakPolarHBondContact CB-OD1 3.48Å; K632-N637 WeakPolarHBondContact CD-OD1 3.46Å; T633-N637 PolarHBondContact O-N 3.47Å; T633-N637 VanDerWaalsContact O-N 3.11Å
638	I	81.3	Confident	82.5	Confident	12 Å²	12	47.1 Å²	47.1	6%	0.062	24%	0.238	C	C	.	.	H	α-helix	trans	-92.5	-26.2	-175.4	-62.7	174.1	0	0	0	112.3	W628 T634 I635 E636 L640 L645 L653	W628-I638 HydrophobicContact CZ3-CG1 4.3Å; T634-I638 HydrophobicContact CG2-CD1 4.08Å; T634-I638 WeakPolarHBondContact O-CD1 3.03Å; T634-I638 VanDerWaalsContact O-CG1 3.3Å; T634-I638 WeakPolarHBondContact O-CG1 3.28Å; T634-I638 PolarHBondContact O-N 3.39Å; I635-I638 PolarHBondContact O-N 2.93Å; E636-I638 VanDerWaalsContact C-N 3.28Å; E636-I638 PolarHBondContact O-N 3.13Å; I638-L640 HydrophobicContact CG2-CB 4.17Å; I638-L640 HydrophobicContact CG2-CD1 3.86Å; I638-L640 HydrophobicContact CG2-CG 3.9Å; I638-L640 PolarHBondContact O-N 3.22Å; I638-L640 VanDerWaalsContact O-N 3.14Å; I638-L645 HydrophobicContact CG2-CD2 4.22Å; I638-L653 HydrophobicContact CD1-CD2 4.14Å
639	Q	81.8	Confident	82.7	Confident	135 Å²	135	46.7 Å²	46.7	63%	0.631	24%	0.237	S	C	*	.			trans	53.4	35	173.9	-166.3	62.2	22.6	0	0	114.2	V624 I635	V624-Q639 HydrophobicContact CG2-CB 3.31Å; V624-Q639 HydrophobicContact CG2-CG 3.93Å; I635-Q639 PolarHBondContact O-N 3.06Å
640	L	82.1	Confident	83.1	Confident	9 Å²	9	44.5 Å²	44.5	5%	0.047	23%	0.225	C	C	.	.			trans	-109.6	141.3	172.7	-67.6	179	0	0	0	110.8	L511 F580 I638 L644 L645	L511-L640 HydrophobicContact CD2-CD1 4.19Å; F580-L640 HydrophobicContact CD1-CD1 3.98Å; F580-L640 HydrophobicContact CD1-CD2 4.3Å; F580-L640 HydrophobicContact CE1-CD1 3.83Å; F580-L640 HydrophobicContact CE1-CD2 4.16Å; I638-L640 HydrophobicContact CG2-CB 4.17Å; I638-L640 HydrophobicContact CG2-CD1 3.86Å; I638-L640 HydrophobicContact CG2-CG 3.9Å; I638-L640 PolarHBondContact O-N 3.22Å; I638-L640 VanDerWaalsContact O-N 3.14Å; L640-L644 HydrophobicContact CD2-CD2 4.33Å; L640-L645 HydrophobicContact CB-CD1 4.24Å; L640-L645 HydrophobicContact CB-CD2 3.97Å; L640-L645 HydrophobicContact CB-CG 3.92Å; L640-L645 HydrophobicContact CD1-CD2 3.97Å; L640-L645 WeakPolarHBondContact O-CD1 3.48Å
641	P	83.9	Confident	83.7	Confident	66 Å²	66	43 Å²	43	43%	0.429	21%	0.214	S	C	.	.			trans	-59.3	141.6	175	-24.7	34.6	0	0	0	112.8	T643 L644 L645	P641-T643 PolarHBondContact O-N 3.47Å; P641-T643 VanDerWaalsContact O-N 3.09Å; P641-L644 WeakPolarHBondContact O-CB 3.5Å; P641-L644 PolarHBondContact O-N 3.37Å; P641-L645 PolarHBondContact O-N 3.43Å; P641-L645 VanDerWaalsContact O-N 3.13Å
642	H	79.8	Confident	84.3	Confident	88 Å²	88	35 Å²	35	41%	0.407	18%	0.18	S	C	.	.	H	α-helix	trans	-55	-29.6	175.3	-65.5	-88.4	0	0	0	113.3	L644 S646	H642-L644 PolarHBondContact O-N 3.35Å; H642-S646 VanDerWaalsContact O-CB 3.31Å; H642-S646 WeakPolarHBondContact O-CB 3.46Å; H642-S646 PolarHBondContact O-N 3.47Å; H642-S646 VanDerWaalsContact O-N 3.08Å; H642-S646 PolarHBondContact O-OG 3.33Å
643	T	83.4	Confident	84.6	Confident	81 Å²	81	32.1 Å²	32.1	50%	0.497	17%	0.167	S	C	.	.	H	α-helix	trans	-65	-23.5	175.3	53.9	0	0	0	0	113.5	P641 R647	P641-T643 PolarHBondContact O-N 3.47Å; P641-T643 VanDerWaalsContact O-N 3.09Å; T643-R647 WeakPolarHBondContact O-CD 3.41Å; T643-R647 PolarHBondContact O-NE 3.28Å
644	L	86.3	Confident	84.9	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-92.3	-48.4	175.9	-165.7	55.1	0	0	0	111	F580 M595 L640 P641 H642 S646 R647 F648	F580-L644 HydrophobicContact CE1-CD2 3.69Å; F580-L644 HydrophobicContact CE1-CG 4.45Å; F580-L644 HydrophobicContact CZ-CD2 3.84Å; F580-L644 HydrophobicContact CZ-CG 4.35Å; M595-L644 HydrophobicContact SD-CD1 4.14Å; L640-L644 HydrophobicContact CD2-CD2 4.33Å; P641-L644 WeakPolarHBondContact O-CB 3.5Å; P641-L644 PolarHBondContact O-N 3.37Å; H642-L644 PolarHBondContact O-N 3.35Å; L644-S646 VanDerWaalsContact C-N 3.27Å; L644-S646 PolarHBondContact O-N 3.2Å; L644-R647 WeakPolarHBondContact O-CB 3.04Å; L644-R647 PolarHBondContact O-N 3.25Å; L644-F648 HydrophobicContact CG-CE2 4.31Å
645	L	84.5	Confident	85.1	Confident	11 Å²	11	31.6 Å²	31.6	6%	0.058	16%	0.163	C	C	.	.	H	α-helix	trans	-57.6	-39	-179.6	-69.1	171.9	0	0	0	112.5	L511 I635 I638 L640 P641 R647 F648 I651	L511-L645 HydrophobicContact CD2-CD2 4.09Å; I635-L645 HydrophobicContact CD1-CD1 3.3Å; I638-L645 HydrophobicContact CG2-CD2 4.22Å; L640-L645 HydrophobicContact CB-CD1 4.24Å; L640-L645 HydrophobicContact CB-CD2 3.97Å; L640-L645 HydrophobicContact CB-CG 3.92Å; L640-L645 HydrophobicContact CD1-CD2 3.97Å; L640-L645 WeakPolarHBondContact O-CD1 3.48Å; P641-L645 PolarHBondContact O-N 3.43Å; P641-L645 VanDerWaalsContact O-N 3.13Å; L645-R647 PolarHBondContact O-N 3.22Å; L645-R647 VanDerWaalsContact O-N 3.08Å; L645-F648 PolarHBondContact O-N 2.91Å; L645-I651 HydrophobicContact CB-CD1 4.48Å; L645-I651 HydrophobicContact CD2-CD1 4.07Å
646	S	84.4	Confident	85.1	Confident	21 Å²	21	33.1 Å²	33.1	15%	0.147	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	1.9	177.4	57.7	0	0	0	0	115.6	H642 L644 R736	H642-S646 VanDerWaalsContact O-CB 3.31Å; H642-S646 WeakPolarHBondContact O-CB 3.46Å; H642-S646 PolarHBondContact O-N 3.47Å; H642-S646 VanDerWaalsContact O-N 3.08Å; H642-S646 PolarHBondContact O-OG 3.33Å; L644-S646 VanDerWaalsContact C-N 3.27Å; L644-S646 PolarHBondContact O-N 3.2Å; S646-R736 WeakPolarHBondContact O-CD 3.45Å; S646-R736 PolarHBondContact OG-NH1 3.12Å
647	R	88.7	Confident	84.8	Confident	26 Å²	26	29.2 Å²	29.2	10%	0.098	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-17.4	176.2	-64.3	155.5	171	-101	1.3	113.5	R505 H592 M595 E596 T643 L644 L645	R505-R647 PolarHBondContact NH1-O 3.07Å; R505-R647 PolarHBondContact NH2-O 2.85Å; H592-R647 VanDerWaalsContact C-NH1 3.3Å; H592-R647 PolarHBondContact ND1-NE 3.15Å; H592-R647 PolarHBondContact O-NH1 2.81Å; H592-R647 PolarHBondContact O-NH2 3.48Å; M595-R647 HydrophobicContact CB-CB 4.4Å; M595-R647 HydrophobicContact CE-CB 4.02Å; E596-R647 IonicContact OE2-CZ 2.65Å; E596-R647 VanDerWaalsContact OE2-CZ 3.3Å; E596-R647 IonicContact OE2-NE 3.81Å; E596-R647 IonicContact OE2-NH1 2.8Å; E596-R647 PolarHBondContact OE2-NH1 2.82Å; E596-R647 IonicContact OE2-NH2 3.73Å; T643-R647 WeakPolarHBondContact O-CD 3.41Å; T643-R647 PolarHBondContact O-NE 3.28Å; L644-R647 WeakPolarHBondContact O-CB 3.04Å; L644-R647 PolarHBondContact O-N 3.25Å; L645-R647 PolarHBondContact O-N 3.22Å; L645-R647 VanDerWaalsContact O-N 3.08Å
648	F	89.9	Confident	84.5	Confident	10 Å²	10	37 Å²	37	4%	0.044	19%	0.191	C	C	.	.			trans	-77.7	132.8	166.5	-68.5	-78.2	0	0	0	108.3	N509 L511 F580 M595 V617 A619 L644 L645 I651	N509-F648 HydrophobicContact CB-CD1 3.98Å; L511-F648 HydrophobicContact CB-CB 4.4Å; L511-F648 HydrophobicContact CB-CD1 3.77Å; L511-F648 HydrophobicContact CB-CD2 4.28Å; L511-F648 HydrophobicContact CB-CE1 4.04Å; L511-F648 HydrophobicContact CB-CG 3.9Å; L511-F648 HydrophobicContact CB-CZ 4.4Å; L511-F648 HydrophobicContact CD1-CZ 4.4Å; L511-F648 HydrophobicContact CD2-CD2 4.27Å; L511-F648 HydrophobicContact CD2-CE2 4.32Å; F580-F648 HydrophobicContact CE1-CE2 4.3Å; F580-F648 HydrophobicContact CE1-CZ 4.29Å; F580-F648 AromaticContact CE2-CZ 3.92Å; F580-F648 HydrophobicContact CE2-CZ 3.92Å; F580-F648 AromaticContact CZ-CE2 3.97Å; F580-F648 HydrophobicContact CZ-CE2 3.97Å; F580-F648 AromaticContact CZ-CZ 3.67Å; F580-F648 HydrophobicContact CZ-CZ 3.67Å; M595-F648 HydrophobicContact CE-CD1 3.85Å; M595-F648 HydrophobicContact CE-CD2 4.19Å; M595-F648 HydrophobicContact CE-CE1 3.65Å; M595-F648 HydrophobicContact CE-CE2 4.02Å; M595-F648 HydrophobicContact CE-CG 4.12Å; M595-F648 HydrophobicContact CE-CZ 3.75Å; M595-F648 HydrophobicContact SD-CZ 4.34Å; V617-F648 HydrophobicContact CG1-CE1 4.32Å; A619-F648 HydrophobicContact CB-CE1 4.1Å; A619-F648 HydrophobicContact CB-CZ 4.19Å; L644-F648 HydrophobicContact CG-CE2 4.31Å; L645-F648 PolarHBondContact O-N 2.91Å; F648-I651 HydrophobicContact CB-CG1 4.08Å
649	D	90.2	Very high	84.5	Confident	3 Å²	3	38.6 Å²	38.6	2%	0.016	20%	0.2	C	C	.	.	S	Bend	trans	-83.2	-34.5	-179.1	-59.7	-65.8	0	0	0	110.8	R505 V508 N509 S740 R743 H769	R505-D649 IonicContact CZ-OD2 2.67Å; R505-D649 IonicContact NH2-OD1 2.64Å; R505-D649 PolarHBondContact NH2-OD1 3.43Å; R505-D649 VanDerWaalsContact NH2-OD1 3.1Å; R505-D649 IonicContact NH2-OD2 2.68Å; R505-D649 PolarHBondContact NH2-OD2 3.33Å; V508-D649 WeakPolarHBondContact CA-OD2 3.42Å; V508-D649 HydrophobicContact CG1-CB 3.96Å; N509-D649 PolarHBondContact N-OD2 3.21Å; N509-D649 PolarHBondContact O-N 2.84Å; D649-S740 WeakPolarHBondContact OD1-CA 3.43Å; D649-S740 VanDerWaalsContact OD1-CB 3.23Å; D649-S740 WeakPolarHBondContact OD1-CB 3.29Å; D649-S740 PolarHBondContact OD1-OG 2.89Å; D649-R743 IonicContact OD1-NH1 3.66Å; D649-R743 PolarHBondContact OD1-NH1 2.79Å; D649-H769 PolarHBondContact O-ND1 2.98Å
650	L	90.2	Very high	84.7	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	135.4	173.9	-65	174.2	0	0	0	110.4	N509 I510 L511 F652 L744 L768 H769 A772	N509-L650 PolarHBondContact O-N 2.97Å; I510-L650 WeakPolarHBondContact CA-O 3.32Å; I510-L650 HydrophobicContact CD1-CD1 4.33Å; I510-L650 HydrophobicContact CG1-CB 4.33Å; L511-L650 PolarHBondContact N-O 2.78Å; L650-F652 HydrophobicContact CB-CD2 4.47Å; L650-F652 HydrophobicContact CB-CE2 4.01Å; L650-F652 HydrophobicContact CB-CZ 4.48Å; L650-F652 HydrophobicContact CD1-CE2 4Å; L650-F652 HydrophobicContact CD1-CZ 3.97Å; L650-L744 HydrophobicContact CD1-CD1 4.32Å; L650-L744 HydrophobicContact CD1-CD2 3.83Å; L650-L744 HydrophobicContact CD2-CD1 3.83Å; L650-L744 HydrophobicContact CG-CD1 4.05Å; L650-L744 HydrophobicContact CG-CD2 4.3Å; L650-L768 HydrophobicContact CD1-CD2 3.84Å; L650-L768 HydrophobicContact CD1-CG 4.29Å; L650-L768 HydrophobicContact CD2-CG 4.45Å; L650-H769 HydrophobicContact CD2-CB 4.34Å; L650-A772 HydrophobicContact CD2-CB 4.25Å
651	I	90.6	Very high	84.9	Confident	18 Å²	18	43.3 Å²	43.3	9%	0.092	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	106.4	172.8	-57.3	170	0	0	0	106.1	L511 L645 F648 A772	L511-I651 HydrophobicContact CB-CG1 4.28Å; L511-I651 HydrophobicContact CB-CG2 4.43Å; L511-I651 HydrophobicContact CD2-CG1 4.42Å; L511-I651 HydrophobicContact CD2-CG2 4.16Å; L511-I651 HydrophobicContact CG-CG2 4.42Å; L511-I651 CarbonylContact O-C 3.58Å; L511-I651 WeakPolarHBondContact O-CA 3.44Å; L645-I651 HydrophobicContact CB-CD1 4.48Å; L645-I651 HydrophobicContact CD2-CD1 4.07Å; F648-I651 HydrophobicContact CB-CG1 4.08Å; I651-A772 CarbonylContact O-C 3.6Å; I651-A772 WeakPolarHBondContact O-CB 3.34Å
652	F	90.7	Very high	84.9	Confident	6 Å²	6	41.9 Å²	41.9	3%	0.026	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	126.9	178.8	-70.9	-76.7	0	0	0	110.8	D479 I480 I510 L511 L512 C513 L650 L768 A772	D479-F652 WeakPolarHBondContact O-CZ 3.35Å; I480-F652 HydrophobicContact CD1-CB 4.4Å; I480-F652 HydrophobicContact CG1-CB 4.31Å; I480-F652 HydrophobicContact CG1-CD1 3.92Å; I480-F652 HydrophobicContact CG1-CE1 4.4Å; I480-F652 HydrophobicContact CG1-CG 4.07Å; I480-F652 HydrophobicContact CG2-CD2 4.48Å; I510-F652 HydrophobicContact CD1-CE2 4.48Å; I510-F652 HydrophobicContact CG2-CD2 3.74Å; I510-F652 HydrophobicContact CG2-CE2 3.9Å; L511-F652 PolarHBondContact O-N 3.06Å; L512-F652 HydrophobicContact CD2-CB 3.99Å; L512-F652 HydrophobicContact CD2-CD2 3.89Å; L512-F652 HydrophobicContact CD2-CG 4.34Å; C513-F652 PolarHBondContact N-O 3.1Å; C513-F652 VanDerWaalsContact O-O 3.09Å; L650-F652 HydrophobicContact CB-CD2 4.47Å; L650-F652 HydrophobicContact CB-CE2 4.01Å; L650-F652 HydrophobicContact CB-CZ 4.48Å; L650-F652 HydrophobicContact CD1-CE2 4Å; L650-F652 HydrophobicContact CD1-CZ 3.97Å; F652-L768 HydrophobicContact CE1-CD1 4.11Å; F652-L768 HydrophobicContact CZ-CD1 4.09Å; F652-L768 HydrophobicContact CZ-CG 4.44Å; F652-A772 HydrophobicContact CD1-CB 3.6Å; F652-A772 HydrophobicContact CE1-CB 3.68Å; F652-A772 HydrophobicContact CG-CB 4.18Å; F652-A772 HydrophobicContact CZ-CB 4.32Å
653	L	86.2	Confident	85.2	Confident	7 Å²	7	41.3 Å²	41.3	4%	0.037	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	91.7	174.8	-62	177.4	0	0	0	111.2	C513 W628 T634 I638 L655 A772 K774	C513-L653 HydrophobicContact CB-CD2 4.19Å; W628-L653 HydrophobicContact CH2-CD2 4.31Å; W628-L653 HydrophobicContact CZ3-CD2 4.4Å; T634-L653 HydrophobicContact CG2-CD1 3.93Å; T634-L653 HydrophobicContact CG2-CD2 4.37Å; I638-L653 HydrophobicContact CD1-CD2 4.14Å; L653-L655 PolarHBondContact O-N 3.26Å; L653-A772 PolarHBondContact N-O 3.24Å; L653-K774 HydrophobicContact CB-CD 4.31Å; L653-K774 VanDerWaalsContact O-CE 3.28Å; L653-K774 WeakPolarHBondContact O-CE 3.4Å; L653-K774 PolarHBondContact O-NZ 3.44Å
654	M	84.9	Confident	85.5	Confident	7 Å²	7	47.2 Å²	47.2	3%	0.034	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	107.6	166.5	-73.7	173.3	-74.4	0	0	109.1	I480 L512 C513 G514 T518 K520	I480-M654 HydrophobicContact CD1-CE 4.4Å; I480-M654 HydrophobicContact CD1-CG 3.39Å; I480-M654 HydrophobicContact CD1-SD 3.6Å; L512-M654 HydrophobicContact CB-CE 3.68Å; L512-M654 HydrophobicContact CD1-CE 4.43Å; L512-M654 HydrophobicContact CD2-CE 4.31Å; L512-M654 HydrophobicContact CG-CE 4.36Å; C513-M654 PolarHBondContact O-N 2.9Å; G514-M654 WeakPolarHBondContact CA-O 3.46Å; T518-M654 HydrophobicContact CG2-CB 4.35Å; K520-M654 HydrophobicContact CB-CE 4.05Å; K520-M654 HydrophobicContact CD-CE 3.62Å; K520-M654 HydrophobicContact CG-CE 3.52Å; K520-M654 HydrophobicContact CG-SD 4.23Å
655	L	82.2	Confident	85.5	Confident	17 Å²	17	53.7 Å²	53.7	9%	0.089	26%	0.257	C	S	.	.			trans	-107	138.9	171.1	-57.4	178.1	0	0	0	106.1	W628 L653 P657 K774 V785 L790	W628-L655 HydrophobicContact CB-CD2 3.85Å; W628-L655 HydrophobicContact CD2-CD2 3.6Å; W628-L655 HydrophobicContact CE3-CD2 4.13Å; W628-L655 HydrophobicContact CG-CD2 3.44Å; W628-L655 VanDerWaalsContact CG-CD2 3.44Å; L653-L655 PolarHBondContact O-N 3.26Å; L655-P657 WeakPolarHBondContact O-CD 3.27Å; L655-K774 HydrophobicContact CD1-CD 4.46Å; L655-V785 HydrophobicContact CD1-CG1 3.92Å; L655-L790 HydrophobicContact CD1-CD1 4.38Å
656	D	81.4	Confident	85.5	Confident	65 Å²	65	55.5 Å²	55.5	35%	0.348	27%	0.267	S	S	.	.			trans	-96.1	100.1	178.9	-169.2	27.7	0	0	0	109.7	D515 T518	D515-D656 HydrophobicContact CB-CB 4.44Å; T518-D656 HydrophobicContact CG2-CB 4.17Å
657	P	75.4	Confident	85.7	Confident	26 Å²	26	57 Å²	57	17%	0.169	28%	0.281	C	S	.	.			trans	-76.5	126	175	32.9	-33.1	0	0	0	109.5	L655 D659	L655-P657 WeakPolarHBondContact O-CD 3.27Å; P657-D659 PolarHBondContact O-N 2.89Å
658	Q	76.9	Confident	85.7	Confident	167 Å²	167	62.5 Å²	62.5	78%	0.78	31%	0.307	S	S	*	.			trans	-76.5	65	177.3	-64.7	177	3.3	0	0	110.9
659	D	80.6	Confident	85.4	Confident	46 Å²	46	64.1 Å²	64.1	25%	0.246	32%	0.315	C	S	.	.			trans	-110.2	113.3	-174.9	-77.5	-31.6	0	0	0	111.1	P657 A661 Y662 D663 T791	P657-D659 PolarHBondContact O-N 2.89Å; D659-A661 PolarHBondContact O-N 3.28Å; D659-Y662 WeakPolarHBondContact O-CB 3.36Å; D659-Y662 PolarHBondContact O-N 3.34Å; D659-D663 PolarHBondContact O-N 3.16Å; D659-D663 VanDerWaalsContact O-N 3.12Å; D659-T791 VanDerWaalsContact OD1-CG2 3.27Å; D659-T791 WeakPolarHBondContact OD1-CG2 3.5Å; D659-T791 WeakPolarHBondContact OD2-CB 3.48Å; D659-T791 WeakPolarHBondContact OD2-CG2 3.46Å; D659-T791 PolarHBondContact OD2-OG1 3Å
660	E	86.9	Confident	85	Confident	176 Å²	176	67.8 Å²	67.8	82%	0.822	33%	0.334	S	S	*	.	H	α-helix	trans	-53.5	-28.8	-177.8	-62	-175.1	170.7	0	0	113.9	R664	E660-R664 VanDerWaalsContact O-CB 3.27Å; E660-R664 WeakPolarHBondContact O-CB 3.48Å; E660-R664 PolarHBondContact O-N 3.46Å; E660-R664 VanDerWaalsContact O-N 3.12Å
661	A	86.7	Confident	84.9	Confident	67 Å²	67	72.5 Å²	72.5	55%	0.554	36%	0.362	S	S	*	.	H	α-helix	trans	-73.3	-35.3	178.4	0	0	0	0	0	112.9	D659 R665	D659-A661 PolarHBondContact O-N 3.28Å; A661-R665 WeakPolarHBondContact O-CG 3.45Å; A661-R665 PolarHBondContact O-N 2.9Å
662	Y	82.5	Confident	84.6	Confident	36 Å²	36	73.7 Å²	73.7	14%	0.141	37%	0.372	C	S	.	.	H	α-helix	trans	-71.3	-51.5	175.4	177.6	-102.1	0	0	0	109.7	E476 D659 R664 R665 L666	E476-Y662 HydrophobicContact CB-CE2 4.05Å; E476-Y662 WeakPolarHBondContact OE2-CD2 3.29Å; E476-Y662 WeakPolarHBondContact OE2-CE2 3.38Å; D659-Y662 WeakPolarHBondContact O-CB 3.36Å; D659-Y662 PolarHBondContact O-N 3.34Å; Y662-R664 PolarHBondContact O-N 3.44Å; Y662-R665 PolarHBondContact O-N 3.47Å; Y662-L666 HydrophobicContact CE1-CD2 4.25Å; Y662-L666 PolarHBondContact O-N 3.14Å
663	D	87.6	Confident	84	Confident	77 Å²	77	75.3 Å²	75.3	41%	0.412	38%	0.381	S	S	.	.	H	α-helix	trans	-53.7	-41.7	177.6	-71.9	-15.6	0	0	0	112.3	D659 R665 L666 A667	D659-D663 PolarHBondContact O-N 3.16Å; D659-D663 VanDerWaalsContact O-N 3.12Å; D663-R665 PolarHBondContact O-N 3Å; D663-L666 PolarHBondContact O-N 2.9Å; D663-A667 WeakPolarHBondContact O-CB 3.48Å; D663-A667 PolarHBondContact O-N 2.93Å
664	R	89.7	Confident	83.8	Confident	205 Å²	205	85 Å²	85	77%	0.774	42%	0.419	S	S	*	.	H	α-helix	trans	-66.1	-35.4	178.9	-173.8	173.4	-179.1	174.9	0.5	113.1	E660 Y662 H668	E660-R664 VanDerWaalsContact O-CB 3.27Å; E660-R664 WeakPolarHBondContact O-CB 3.48Å; E660-R664 PolarHBondContact O-N 3.46Å; E660-R664 VanDerWaalsContact O-N 3.12Å; Y662-R664 PolarHBondContact O-N 3.44Å; R664-H668 WeakPolarHBondContact O-CB 3.46Å; R664-H668 PolarHBondContact O-N 3.42Å; R664-H668 VanDerWaalsContact O-N 3.16Å
665	R	85	Confident	83.7	Confident	135 Å²	135	94.6 Å²	94.6	51%	0.509	46%	0.456	S	S	.	.	H	α-helix	trans	-72.8	-46.3	175.1	-67.8	176.1	-169.6	170.5	4.4	110.9	Y475 E476 A661 Y662 D663 A667 H668 H669	Y475-R665 HydrophobicContact CE1-CB 3.72Å; E476-R665 WeakPolarHBondContact OE1-CD 3.19Å; E476-R665 IonicContact OE1-CZ 3.67Å; E476-R665 IonicContact OE1-NH1 3.27Å; E476-R665 PolarHBondContact OE1-NH1 3.48Å; A661-R665 WeakPolarHBondContact O-CG 3.45Å; A661-R665 PolarHBondContact O-N 2.9Å; Y662-R665 PolarHBondContact O-N 3.47Å; D663-R665 PolarHBondContact O-N 3Å; R665-A667 VanDerWaalsContact C-N 3.34Å; R665-A667 PolarHBondContact O-N 3.04Å; R665-H668 WeakPolarHBondContact O-CB 3.31Å; R665-H668 PolarHBondContact O-N 2.74Å; R665-H668 VanDerWaalsContact O-N 3.14Å; R665-H669 PolarHBondContact O-N 2.91Å
666	L	85.3	Confident	83.3	Confident	50 Å²	50	96.2 Å²	96.2	26%	0.262	46%	0.463	S	S	.	.	H	α-helix	trans	-58.2	-46.3	177.1	179.4	61.5	0	0	0	111.2	Y662 D663 H668 H669 L670	Y662-L666 HydrophobicContact CE1-CD2 4.25Å; Y662-L666 PolarHBondContact O-N 3.14Å; D663-L666 PolarHBondContact O-N 2.9Å; L666-H668 VanDerWaalsContact C-N 3.35Å; L666-H668 PolarHBondContact O-N 2.84Å; L666-H669 PolarHBondContact O-N 2.84Å; L666-L670 HydrophobicContact CD1-CD1 4.12Å; L666-L670 HydrophobicContact CD1-CG 4.21Å; L666-L670 HydrophobicContact CG-CD1 4.04Å; L666-L670 WeakPolarHBondContact O-CB 3.33Å; L666-L670 VanDerWaalsContact O-CG 3.31Å; L666-L670 WeakPolarHBondContact O-CG 3.35Å; L666-L670 PolarHBondContact O-N 2.76Å
667	A	88.4	Confident	82.4	Confident	53 Å²	53	95.8 Å²	95.8	44%	0.438	47%	0.465	S	S	.	.	H	α-helix	trans	-62	-40.1	175.7	0	0	0	0	0	112.3	D663 R665 V671	D663-A667 WeakPolarHBondContact O-CB 3.48Å; D663-A667 PolarHBondContact O-N 2.93Å; R665-A667 VanDerWaalsContact C-N 3.34Å; R665-A667 PolarHBondContact O-N 3.04Å; A667-V671 WeakPolarHBondContact O-CB 3.37Å; A667-V671 VanDerWaalsContact O-CG2 3.25Å; A667-V671 WeakPolarHBondContact O-CG2 3.33Å; A667-V671 PolarHBondContact O-N 2.96Å
668	H	88.8	Confident	81.7	Confident	140 Å²	140	102.5 Å²	102.5	65%	0.648	49%	0.494	S	S	*	.	H	α-helix	trans	-62.3	-47.4	174.2	-174.8	-75.1	0	0	0	111.5	R664 R665 L666 V671 S672	R664-H668 WeakPolarHBondContact O-CB 3.46Å; R664-H668 PolarHBondContact O-N 3.42Å; R664-H668 VanDerWaalsContact O-N 3.16Å; R665-H668 WeakPolarHBondContact O-CB 3.31Å; R665-H668 PolarHBondContact O-N 2.74Å; R665-H668 VanDerWaalsContact O-N 3.14Å; L666-H668 VanDerWaalsContact C-N 3.35Å; L666-H668 PolarHBondContact O-N 2.84Å; H668-V671 PolarHBondContact O-N 3.25Å; H668-S672 PolarHBondContact O-N 2.71Å; H668-S672 PolarHBondContact O-OG 3.33Å; H668-S672 VanDerWaalsContact O-OG 3.06Å
669	H	82.4	Confident	80.6	Confident	45 Å²	45	101.5 Å²	101.5	21%	0.208	49%	0.49	C	S	.	.	H	α-helix	trans	-60.8	-47.5	179	-169.6	69.4	0	0	0	112.2	P472 Y475 R665 L666 V671 S672 L673	P472-H669 PolarHBondContact O-NE2 2.67Å; P472-H669 VanDerWaalsContact O-NE2 3.13Å; Y475-H669 HydrophobicContact CD2-CB 4.32Å; Y475-H669 AromaticContact CD2-CG 3.99Å; Y475-H669 HydrophobicContact CG-CB 4.33Å; R665-H669 PolarHBondContact O-N 2.91Å; L666-H669 PolarHBondContact O-N 2.84Å; H669-V671 VanDerWaalsContact C-N 3.35Å; H669-V671 PolarHBondContact O-N 3.46Å; H669-S672 VanDerWaalsContact CA-OG 3.32Å; H669-S672 WeakPolarHBondContact CA-OG 3.28Å; H669-S672 PolarHBondContact O-N 3.12Å; H669-S672 PolarHBondContact O-OG 3.37Å; H669-L673 WeakPolarHBondContact O-CG 3.4Å; H669-L673 PolarHBondContact O-N 2.74Å; H669-L673 VanDerWaalsContact O-N 3.1Å
670	L	83.2	Confident	79.7	Confident	80 Å²	80	104.2 Å²	104.2	42%	0.419	50%	0.501	S	S	.	.	H	α-helix	trans	-62.1	-41.2	177.7	-70	173.9	0	0	0	111.8	L666 L673 Y674	L666-L670 HydrophobicContact CD1-CD1 4.12Å; L666-L670 HydrophobicContact CD1-CG 4.21Å; L666-L670 HydrophobicContact CG-CD1 4.04Å; L666-L670 WeakPolarHBondContact O-CB 3.33Å; L666-L670 VanDerWaalsContact O-CG 3.31Å; L666-L670 WeakPolarHBondContact O-CG 3.35Å; L666-L670 PolarHBondContact O-N 2.76Å; L670-L673 PolarHBondContact O-N 3.07Å; L670-Y674 WeakPolarHBondContact O-CD2 3.34Å
671	V	88	Confident	78.3	Confident	99 Å²	99	98.9 Å²	98.9	60%	0.6	48%	0.477	S	S	*	.	H	α-helix	trans	-68.5	-37.3	176.3	171.5	0	0	0	0	111.8	A667 H668 H669 L673 Y674 Y675	A667-V671 WeakPolarHBondContact O-CB 3.37Å; A667-V671 VanDerWaalsContact O-CG2 3.25Å; A667-V671 WeakPolarHBondContact O-CG2 3.33Å; A667-V671 PolarHBondContact O-N 2.96Å; H668-V671 PolarHBondContact O-N 3.25Å; H669-V671 VanDerWaalsContact C-N 3.35Å; H669-V671 PolarHBondContact O-N 3.46Å; V671-L673 VanDerWaalsContact C-N 3.34Å; V671-L673 PolarHBondContact O-N 3.1Å; V671-Y674 PolarHBondContact O-N 3.08Å; V671-Y675 PolarHBondContact O-N 3.3Å
672	S	83.7	Confident	76.8	Confident	43 Å²	43	102 Å²	102	30%	0.301	48%	0.48	S	S	.	.	H	α-helix	trans	-62.5	-39.4	175.1	42.8	0	0	0	0	112.4	H668 H669 Y674 Y675 Q676	H668-S672 PolarHBondContact O-N 2.71Å; H668-S672 PolarHBondContact O-OG 3.33Å; H668-S672 VanDerWaalsContact O-OG 3.06Å; H669-S672 VanDerWaalsContact CA-OG 3.32Å; H669-S672 WeakPolarHBondContact CA-OG 3.28Å; H669-S672 PolarHBondContact O-N 3.12Å; H669-S672 PolarHBondContact O-OG 3.37Å; S672-Y674 PolarHBondContact O-N 2.79Å; S672-Y675 PolarHBondContact O-N 3.35Å; S672-Q676 WeakPolarHBondContact O-CB 3.46Å; S672-Q676 PolarHBondContact O-N 2.98Å
673	L	79.3	Confident	75.7	Confident	41 Å²	41	107.9 Å²	107.9	22%	0.215	51%	0.509	C	S	.	.	H	α-helix	trans	-60.8	-29.4	176.4	-68.2	169.2	0	0	0	113.4	H669 L670 V671	H669-L673 WeakPolarHBondContact O-CG 3.4Å; H669-L673 PolarHBondContact O-N 2.74Å; H669-L673 VanDerWaalsContact O-N 3.1Å; L670-L673 PolarHBondContact O-N 3.07Å; V671-L673 VanDerWaalsContact C-N 3.34Å; V671-L673 PolarHBondContact O-N 3.1Å
674	Y	81.7	Confident	74.2	Confident	211 Å²	211	108.5 Å²	108.5	83%	0.827	51%	0.509	S	S	*	.	H	α-helix	trans	-83.7	-13.6	174.2	-73.9	-70.8	0	0	0	114	L670 V671 S672	L670-Y674 WeakPolarHBondContact O-CD2 3.34Å; V671-Y674 PolarHBondContact O-N 3.08Å; S672-Y674 PolarHBondContact O-N 2.79Å
675	Y	82.2	Confident	72.5	Confident	207 Å²	207	105.2 Å²	105.2	81%	0.812	50%	0.501	S	S	*	.	H	α-helix	trans	-105.9	-16.8	-177.8	-158.3	-95.8	0	0	0	113.1	V671 S672	V671-Y675 PolarHBondContact O-N 3.3Å; S672-Y675 PolarHBondContact O-N 3.35Å
676	Q	73.3	Confident	71	Confident	52 Å²	52	105.2 Å²	105.2	24%	0.243	51%	0.51	C	S	.	.	S	Bend	trans	-67.3	136.2	178.6	-167	165.4	16.8	0	0	111.1	S672 Q680	S672-Q676 WeakPolarHBondContact O-CB 3.46Å; S672-Q676 PolarHBondContact O-N 2.98Å; Q676-Q680 HydrophobicContact CG-CB 3.78Å
677	S	62.3	Low	70	Confident	56 Å²	56	104.7 Å²	104.7	39%	0.392	51%	0.507	S	S	.	.			trans	-78.6	153.7	176.8	49.3	0	0	0	0	111.7	E679 Q680	S677-E679 PolarHBondContact O-N 3.01Å; S677-Q680 PolarHBondContact O-N 3.01Å
678	E	60.6	Low	69.2	Low	166 Å²	166	103.4 Å²	103.4	78%	0.776	49%	0.493	S	S	*	.	H	α-helix	trans	-53.8	-37.6	179.7	-65.6	176.7	146.3	0	0	111.9	Q680 M681 E682	E678-Q680 VanDerWaalsContact C-N 3.29Å; E678-Q680 PolarHBondContact O-N 3.43Å; E678-M681 CarbonylContact O-C 3.57Å; E678-M681 WeakPolarHBondContact O-CA 3.44Å; E678-M681 WeakPolarHBondContact O-CB 3.23Å; E678-M681 PolarHBondContact O-N 3.16Å; E678-E682 PolarHBondContact O-N 2.99Å
679	E	55.5	Low	68.5	Low	147 Å²	147	98.9 Å²	98.9	69%	0.687	48%	0.48	S	S	*	.	H	α-helix	trans	-54	-36.4	176.1	-60.9	173.2	159	0	0	114	S677 E682 E683	S677-E679 PolarHBondContact O-N 3.01Å; E679-E682 PolarHBondContact O-N 2.9Å; E679-E683 PolarHBondContact O-N 3.32Å
680	Q	61.5	Low	68.4	Low	102 Å²	102	98.3 Å²	98.3	48%	0.477	48%	0.479	S	S	.	.	H	α-helix	trans	-81	-25.9	177.4	-67.8	-173.3	-2.7	0	0	112.4	Q676 S677 E678 E682	Q676-Q680 HydrophobicContact CG-CB 3.78Å; S677-Q680 PolarHBondContact O-N 3.01Å; E678-Q680 VanDerWaalsContact C-N 3.29Å; E678-Q680 PolarHBondContact O-N 3.43Å; Q680-E682 VanDerWaalsContact C-N 3.35Å
681	M	57.1	Low	68.4	Low	65 Å²	65	94.6 Å²	94.6	32%	0.32	46%	0.46	S	S	.	.	H	α-helix	trans	-71	-34	168.7	-65.1	-160.8	179.5	0	0	110.9	E678 E683 E684 F685	E678-M681 CarbonylContact O-C 3.57Å; E678-M681 WeakPolarHBondContact O-CA 3.44Å; E678-M681 WeakPolarHBondContact O-CB 3.23Å; E678-M681 PolarHBondContact O-N 3.16Å; M681-E683 PolarHBondContact O-N 3.37Å; M681-E684 CarbonylContact O-C 3.56Å; M681-E684 PolarHBondContact O-N 3.22Å; M681-F685 HydrophobicContact CB-CD2 4.09Å; M681-F685 HydrophobicContact CB-CE2 3.91Å; M681-F685 WeakPolarHBondContact O-CB 3.31Å; M681-F685 WeakPolarHBondContact O-CD2 3.32Å; M681-F685 WeakPolarHBondContact O-CG 3.29Å; M681-F685 PolarHBondContact O-N 2.78Å
682	E	55.5	Low	68	Low	133 Å²	133	91.1 Å²	91.1	62%	0.621	44%	0.437	S	S	*	.	H	α-helix	trans	-61.4	-40.4	176.7	-72.6	179.4	167.8	0	0	112.8	E678 E679 Q680 E684 F685 L686	E678-E682 PolarHBondContact O-N 2.99Å; E679-E682 PolarHBondContact O-N 2.9Å; Q680-E682 VanDerWaalsContact C-N 3.35Å; E682-E684 VanDerWaalsContact C-N 3.34Å; E682-E684 PolarHBondContact O-N 3.46Å; E682-F685 PolarHBondContact O-N 3.46Å; E682-L686 PolarHBondContact O-N 3.17Å
683	E	58	Low	67.9	Low	159 Å²	159	89.7 Å²	89.7	74%	0.743	43%	0.426	S	S	*	.	H	α-helix	trans	-62.7	-37.9	172.7	-69.9	-169.5	159.3	0	0	112.5	E679 M681	E679-E683 PolarHBondContact O-N 3.32Å; M681-E683 PolarHBondContact O-N 3.37Å
684	E	57.3	Low	68.2	Low	90 Å²	90	87.8 Å²	87.8	42%	0.421	42%	0.416	S	S	.	.	H	α-helix	trans	-72.1	-34.3	174.1	-69.2	-174.4	-174.2	0	0	112.7	P472 M681 E682 L686 D687	P472-E684 WeakPolarHBondContact CB-OE2 3.41Å; M681-E684 CarbonylContact O-C 3.56Å; M681-E684 PolarHBondContact O-N 3.22Å; E682-E684 VanDerWaalsContact C-N 3.34Å; E682-E684 PolarHBondContact O-N 3.46Å; E684-L686 VanDerWaalsContact C-N 3.28Å; E684-L686 PolarHBondContact O-N 3.03Å; E684-D687 PolarHBondContact O-N 3.02Å
685	F	53.9	Low	68.4	Low	136 Å²	136	77.9 Å²	77.9	60%	0.596	38%	0.377	S	S	*	.	H	α-helix	trans	-66.8	-27.5	178	-83.7	-61.1	0	0	0	112.9	M681 E682 D687 M688	M681-F685 HydrophobicContact CB-CD2 4.09Å; M681-F685 HydrophobicContact CB-CE2 3.91Å; M681-F685 WeakPolarHBondContact O-CB 3.31Å; M681-F685 WeakPolarHBondContact O-CD2 3.32Å; M681-F685 WeakPolarHBondContact O-CG 3.29Å; M681-F685 PolarHBondContact O-N 2.78Å; E682-F685 PolarHBondContact O-N 3.46Å; F685-D687 VanDerWaalsContact C-N 3.31Å; F685-D687 PolarHBondContact O-N 3.21Å; F685-M688 VanDerWaalsContact O-CB 3.26Å; F685-M688 WeakPolarHBondContact O-CB 3.21Å; F685-M688 PolarHBondContact O-N 2.82Å; F685-M688 VanDerWaalsContact O-N 3.08Å
686	L	53.2	Low	68.4	Low	135 Å²	135	68.4 Å²	68.4	71%	0.707	34%	0.342	S	S	*	.	H	α-helix	trans	-64	-34.1	177	-162.5	74.8	0	0	0	112.4	E682 E684 M688	E682-L686 PolarHBondContact O-N 3.17Å; E684-L686 VanDerWaalsContact C-N 3.28Å; E684-L686 PolarHBondContact O-N 3.03Å; L686-M688 VanDerWaalsContact C-N 3.27Å; L686-M688 PolarHBondContact O-N 2.95Å
687	D	64.6	Low	69	Low	38 Å²	38	67.4 Å²	67.4	20%	0.203	34%	0.336	C	S	.	.	H	α-helix	trans	-70.6	-23.1	174.8	-144.2	-13.1	0	0	0	111.3	R465 E684 F685 V690 L691	R465-D687 IonicContact CZ-OD2 2.94Å; R465-D687 IonicContact NE-OD2 2.7Å; R465-D687 PolarHBondContact NE-OD2 2.86Å; R465-D687 IonicContact NH2-OD2 3.89Å; R465-D687 PolarHBondContact NH2-OD2 3.33Å; E684-D687 PolarHBondContact O-N 3.02Å; F685-D687 VanDerWaalsContact C-N 3.31Å; F685-D687 PolarHBondContact O-N 3.21Å; D687-V690 PolarHBondContact O-N 2.98Å; D687-L691 VanDerWaalsContact O-CB 3.29Å; D687-L691 WeakPolarHBondContact O-CB 3.44Å; D687-L691 PolarHBondContact O-N 2.77Å
688	M	70.6	Confident	70.1	Confident	26 Å²	26	64.7 Å²	64.7	13%	0.128	32%	0.317	C	S	.	.	H	α-helix	trans	-71.2	-34.8	-180	-166.6	62.9	53.9	0	0	113.1	Y526 L530 F685 L686 L691 K692	Y526-M688 WeakPolarHBondContact OH-CE 3.27Å; L530-M688 HydrophobicContact CD1-SD 3.96Å; F685-M688 VanDerWaalsContact O-CB 3.26Å; F685-M688 WeakPolarHBondContact O-CB 3.21Å; F685-M688 PolarHBondContact O-N 2.82Å; F685-M688 VanDerWaalsContact O-N 3.08Å; L686-M688 VanDerWaalsContact C-N 3.27Å; L686-M688 PolarHBondContact O-N 2.95Å; M688-L691 HydrophobicContact CE-CD2 4.46Å; M688-L691 HydrophobicContact SD-CD2 3.89Å; M688-K692 VanDerWaalsContact O-CG 3.3Å; M688-K692 WeakPolarHBondContact O-CG 3.33Å; M688-K692 PolarHBondContact O-N 2.67Å; M688-K692 VanDerWaalsContact O-N 3.16Å
689	A	75.1	Confident	71.1	Confident	46 Å²	46	59.9 Å²	59.9	38%	0.38	29%	0.292	S	S	.	.	H	α-helix	trans	-66.7	-46.3	173.4	0	0	0	0	0	110.6	L691 K692 D693	A689-L691 PolarHBondContact O-N 3.35Å; A689-K692 WeakPolarHBondContact O-CB 2.95Å; A689-K692 PolarHBondContact O-N 2.64Å; A689-D693 PolarHBondContact O-N 3.07Å; A689-D693 VanDerWaalsContact O-N 3.11Å
690	V	80.3	Confident	72.3	Confident	33 Å²	33	55 Å²	55	20%	0.2	27%	0.272	C	S	.	.	H	α-helix	trans	-62.6	-40.7	176.9	-178	0	0	0	0	111.6	L453 L456 D687 K692 D693 Y694	L453-V690 HydrophobicContact CD2-CG1 4.07Å; L456-V690 HydrophobicContact CD1-CG1 3.45Å; L456-V690 VanDerWaalsContact CD1-CG1 3.45Å; D687-V690 PolarHBondContact O-N 2.98Å; V690-K692 VanDerWaalsContact C-N 3.27Å; V690-K692 PolarHBondContact O-N 3.02Å; V690-D693 PolarHBondContact O-N 2.86Å; V690-Y694 VanDerWaalsContact O-CB 3.26Å; V690-Y694 WeakPolarHBondContact O-CB 3.25Å; V690-Y694 PolarHBondContact O-N 2.91Å
691	L	82.5	Confident	73.3	Confident	2 Å²	2	56.2 Å²	56.2	1%	0.01	27%	0.273	C	S	.	.	H	α-helix	trans	-58.4	-37.8	172.9	175.2	64.5	0	0	0	112.1	L466 D687 M688 A689 I695	L466-L691 HydrophobicContact CB-CD1 4.38Å; L466-L691 HydrophobicContact CD2-CD1 3.68Å; L466-L691 HydrophobicContact CG-CD1 4.47Å; D687-L691 VanDerWaalsContact O-CB 3.29Å; D687-L691 WeakPolarHBondContact O-CB 3.44Å; D687-L691 PolarHBondContact O-N 2.77Å; M688-L691 HydrophobicContact CE-CD2 4.46Å; M688-L691 HydrophobicContact SD-CD2 3.89Å; A689-L691 PolarHBondContact O-N 3.35Å; L691-I695 HydrophobicContact CD1-CD1 3.86Å; L691-I695 HydrophobicContact CD1-CG1 4.3Å; L691-I695 HydrophobicContact CG-CD1 4.03Å; L691-I695 WeakPolarHBondContact O-CG1 3.5Å; L691-I695 PolarHBondContact O-N 3.09Å
692	K	79.2	Confident	74.7	Confident	26 Å²	26	53.7 Å²	53.7	11%	0.113	26%	0.261	C	S	.	.	H	α-helix	trans	-67.3	-49.3	178.2	-71.7	166.2	174.4	-175.3	0	112	E430 K431 R432 L433 M688 A689 V690 Y694 I695 A696	E430-K692 PolarHBondContact O-NZ 2.82Å; K431-K692 PolarHBondContact O-NZ 3.35Å; R432-K692 WeakPolarHBondContact O-CD 3.33Å; R432-K692 VanDerWaalsContact O-CE 3.27Å; R432-K692 WeakPolarHBondContact O-CE 3.42Å; R432-K692 PolarHBondContact O-NZ 3.36Å; L433-K692 HydrophobicContact CD2-CB 3.84Å; L433-K692 HydrophobicContact CD2-CG 3.66Å; L433-K692 HydrophobicContact CG-CG 4.31Å; M688-K692 VanDerWaalsContact O-CG 3.3Å; M688-K692 WeakPolarHBondContact O-CG 3.33Å; M688-K692 PolarHBondContact O-N 2.67Å; M688-K692 VanDerWaalsContact O-N 3.16Å; A689-K692 WeakPolarHBondContact O-CB 2.95Å; A689-K692 PolarHBondContact O-N 2.64Å; V690-K692 VanDerWaalsContact C-N 3.27Å; V690-K692 PolarHBondContact O-N 3.02Å; K692-Y694 VanDerWaalsContact C-N 3.27Å; K692-Y694 PolarHBondContact O-N 3.01Å; K692-I695 PolarHBondContact O-N 2.85Å; K692-A696 WeakPolarHBondContact O-CB 3.44Å; K692-A696 PolarHBondContact O-N 3.02Å
693	D	81.8	Confident	76.2	Confident	13 Å²	13	51.5 Å²	51.5	7%	0.07	25%	0.253	C	S	.	.	H	α-helix	trans	-58.7	-41.8	176.2	-68	-3.8	0	0	0	110.6	F445 R449 L453 A689 V690 I695 A696 Y697	F445-D693 HydrophobicContact CE1-CB 4.16Å; R449-D693 IonicContact CZ-OD2 3.21Å; R449-D693 IonicContact NE-OD2 3.32Å; R449-D693 IonicContact NH1-OD2 2.73Å; R449-D693 PolarHBondContact NH1-OD2 3.43Å; L453-D693 HydrophobicContact CD1-CB 4.27Å; L453-D693 HydrophobicContact CD2-CB 4.25Å; A689-D693 PolarHBondContact O-N 3.07Å; A689-D693 VanDerWaalsContact O-N 3.11Å; V690-D693 PolarHBondContact O-N 2.86Å; D693-I695 PolarHBondContact O-N 2.95Å; D693-A696 PolarHBondContact O-N 2.7Å; D693-Y697 VanDerWaalsContact O-CB 3.25Å; D693-Y697 WeakPolarHBondContact O-CB 3.38Å; D693-Y697 PolarHBondContact O-N 2.92Å
694	Y	86.1	Confident	77.8	Confident	1 Å²	1	44.1 Å²	44.1	0%	0.004	22%	0.219	C	C	.	.	H	α-helix	trans	-60.5	-46.2	177.6	-163.6	-80.7	0	0	0	112.5	L453 L456 A457 L466 F489 V690 K692 A698 V751 F753	L453-Y694 HydrophobicContact CB-CD2 4.46Å; L453-Y694 HydrophobicContact CD2-CD2 3.8Å; L453-Y694 HydrophobicContact CD2-CG 4.26Å; L456-Y694 HydrophobicContact CB-CE2 4.25Å; A457-Y694 WeakPolarHBondContact CA-OH 3.47Å; A457-Y694 HydrophobicContact CB-CE2 4.11Å; A457-Y694 VanDerWaalsContact CB-OH 3.28Å; A457-Y694 WeakPolarHBondContact CB-OH 3.3Å; L466-Y694 HydrophobicContact CD1-CD1 4.02Å; L466-Y694 HydrophobicContact CD1-CE1 3.74Å; F489-Y694 AromaticContact CE1-CD1 3.91Å; F489-Y694 HydrophobicContact CE1-CD1 3.91Å; F489-Y694 HydrophobicContact CE1-CE1 4.14Å; F489-Y694 AromaticContact CZ-CD1 3.72Å; F489-Y694 HydrophobicContact CZ-CD1 3.72Å; F489-Y694 AromaticContact CZ-CE1 3.86Å; F489-Y694 HydrophobicContact CZ-CE1 3.86Å; V690-Y694 VanDerWaalsContact O-CB 3.26Å; V690-Y694 WeakPolarHBondContact O-CB 3.25Å; V690-Y694 PolarHBondContact O-N 2.91Å; K692-Y694 VanDerWaalsContact C-N 3.27Å; K692-Y694 PolarHBondContact O-N 3.01Å; Y694-A698 WeakPolarHBondContact O-CB 3.19Å; Y694-A698 PolarHBondContact O-N 2.99Å; Y694-V751 WeakPolarHBondContact CE1-O 3.13Å; Y694-V751 PolarHBondContact OH-O 3.43Å; Y694-F753 AromaticContact CD1-CE1 3.83Å; Y694-F753 HydrophobicContact CD1-CE1 3.83Å; Y694-F753 HydrophobicContact CD1-CZ 4.1Å; Y694-F753 HydrophobicContact CD2-CE1 4.17Å; Y694-F753 HydrophobicContact CD2-CE2 4.46Å; Y694-F753 AromaticContact CD2-CZ 3.65Å; Y694-F753 HydrophobicContact CD2-CZ 3.65Å; Y694-F753 HydrophobicContact CE1-CD1 4.12Å; Y694-F753 AromaticContact CE1-CE1 3.34Å; Y694-F753 HydrophobicContact CE1-CE1 3.34Å; Y694-F753 AromaticContact CE1-CZ 3.86Å; Y694-F753 HydrophobicContact CE1-CZ 3.86Å; Y694-F753 AromaticContact CE2-CE1 3.73Å; Y694-F753 HydrophobicContact CE2-CE1 3.73Å; Y694-F753 AromaticContact CE2-CE2 3.96Å; Y694-F753 HydrophobicContact CE2-CE2 3.96Å; Y694-F753 AromaticContact CE2-CZ 3.37Å; Y694-F753 HydrophobicContact CE2-CZ 3.37Å; Y694-F753 HydrophobicContact CG-CE1 4.21Å; Y694-F753 AromaticContact CG-CZ 4Å; Y694-F753 HydrophobicContact CG-CZ 4Å; Y694-F753 AromaticContact CZ-CD1 3.91Å; Y694-F753 AromaticContact CZ-CE1 3.28Å; Y694-F753 AromaticContact CZ-CZ 3.48Å; Y694-F753 VanDerWaalsContact CZ-CZ 3.48Å
695	I	86.1	Confident	79.3	Confident	2 Å²	2	49.4 Å²	49.4	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-67.6	-41.8	177.2	-68.7	164.8	0	0	0	110.9	L433 L488 F489 L691 K692 D693 A698 R699	L433-I695 HydrophobicContact CD1-CG2 4.39Å; L433-I695 HydrophobicContact CD2-CB 3.94Å; L433-I695 HydrophobicContact CD2-CD1 3.85Å; L433-I695 HydrophobicContact CD2-CG1 4.49Å; L433-I695 HydrophobicContact CD2-CG2 4.07Å; L488-I695 HydrophobicContact CB-CD1 4.35Å; L488-I695 HydrophobicContact CD1-CD1 4.05Å; F489-I695 HydrophobicContact CD1-CG1 4.46Å; F489-I695 HydrophobicContact CE1-CB 4.29Å; F489-I695 HydrophobicContact CE1-CG1 3.84Å; F489-I695 HydrophobicContact CE2-CG1 4.38Å; F489-I695 HydrophobicContact CZ-CG1 3.78Å; L691-I695 HydrophobicContact CD1-CD1 3.86Å; L691-I695 HydrophobicContact CD1-CG1 4.3Å; L691-I695 HydrophobicContact CG-CD1 4.03Å; L691-I695 WeakPolarHBondContact O-CG1 3.5Å; L691-I695 PolarHBondContact O-N 3.09Å; K692-I695 PolarHBondContact O-N 2.85Å; D693-I695 PolarHBondContact O-N 2.95Å; I695-A698 PolarHBondContact O-N 2.91Å; I695-R699 HydrophobicContact CG2-CG 4.45Å; I695-R699 VanDerWaalsContact O-CG 3.31Å; I695-R699 WeakPolarHBondContact O-CG 3.28Å; I695-R699 PolarHBondContact O-N 2.82Å; I695-R699 VanDerWaalsContact O-N 3.08Å
696	A	82.7	Confident	81	Confident	9 Å²	9	45.9 Å²	45.9	7%	0.074	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-50.4	178.5	0	0	0	0	0	111.5	H434 F445 K692 D693 A698 R699 T700	H434-A696 HydrophobicContact CB-CB 4.05Å; F445-A696 HydrophobicContact CZ-CB 4.32Å; K692-A696 WeakPolarHBondContact O-CB 3.44Å; K692-A696 PolarHBondContact O-N 3.02Å; D693-A696 PolarHBondContact O-N 2.7Å; A696-A698 PolarHBondContact O-N 2.88Å; A696-R699 PolarHBondContact O-N 2.93Å; A696-T700 PolarHBondContact O-N 3.11Å; A696-T700 PolarHBondContact O-OG1 3.11Å
697	Y	84.9	Confident	83	Confident	30 Å²	30	41 Å²	41	12%	0.118	20%	0.2	C	C	.	.	H	α-helix	trans	-60.6	-44.7	177.2	-177.9	-89.3	0	0	0	112.3	V450 L453 D693 R699 T700 Y701 I702 F753	V450-Y697 HydrophobicContact CG1-CE2 4.02Å; V450-Y697 HydrophobicContact CG2-CE2 4.32Å; L453-Y697 HydrophobicContact CD1-CG 4.29Å; D693-Y697 VanDerWaalsContact O-CB 3.25Å; D693-Y697 WeakPolarHBondContact O-CB 3.38Å; D693-Y697 PolarHBondContact O-N 2.92Å; Y697-R699 VanDerWaalsContact C-N 3.35Å; Y697-R699 PolarHBondContact O-N 3.09Å; Y697-T700 PolarHBondContact O-N 3.21Å; Y697-T700 PolarHBondContact O-OG1 2.99Å; Y697-Y701 AromaticContact CD2-CD2 3.45Å; Y697-Y701 HydrophobicContact CD2-CD2 3.45Å; Y697-Y701 VanDerWaalsContact CD2-CD2 3.45Å; Y697-Y701 AromaticContact CD2-CE2 3.7Å; Y697-Y701 HydrophobicContact CD2-CE2 3.7Å; Y697-Y701 HydrophobicContact CD2-CG 4.43Å; Y697-Y701 AromaticContact CE2-CD2 3.53Å; Y697-Y701 HydrophobicContact CE2-CD2 3.53Å; Y697-Y701 AromaticContact CE2-CE2 3.83Å; Y697-Y701 HydrophobicContact CE2-CE2 3.83Å; Y697-Y701 HydrophobicContact CE2-CG 4.12Å; Y697-Y701 AromaticContact CG-CD2 3.97Å; Y697-Y701 HydrophobicContact CG-CD2 3.97Å; Y697-Y701 PolarHBondContact O-N 2.89Å; Y697-Y701 VanDerWaalsContact O-N 3.11Å; Y697-I702 HydrophobicContact CD1-CD1 4.39Å; Y697-I702 HydrophobicContact CE1-CD1 4.19Å; Y697-F753 HydrophobicContact CD1-CD2 4.49Å; Y697-F753 HydrophobicContact CD1-CE1 4.21Å; Y697-F753 AromaticContact CD1-CE2 3.8Å; Y697-F753 HydrophobicContact CD1-CE2 3.8Å; Y697-F753 AromaticContact CD1-CZ 3.63Å; Y697-F753 HydrophobicContact CD1-CZ 3.63Å; Y697-F753 HydrophobicContact CE1-CD2 4.18Å; Y697-F753 AromaticContact CE1-CE2 3.82Å; Y697-F753 HydrophobicContact CE1-CE2 3.82Å; Y697-F753 HydrophobicContact CE1-CZ 4.12Å
698	A	86.4	Confident	84.2	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-63.5	-37.1	179.1	0	0	0	0	0	113.4	F489 Y694 I695 A696 T700 I702 F753	F489-A698 HydrophobicContact CD1-CB 3.53Å; F489-A698 HydrophobicContact CE1-CB 3.43Å; F489-A698 VanDerWaalsContact CE1-CB 3.43Å; Y694-A698 WeakPolarHBondContact O-CB 3.19Å; Y694-A698 PolarHBondContact O-N 2.99Å; I695-A698 PolarHBondContact O-N 2.91Å; A696-A698 PolarHBondContact O-N 2.88Å; A698-T700 VanDerWaalsContact C-N 3.33Å; A698-T700 PolarHBondContact O-N 3.48Å; A698-I702 WeakPolarHBondContact O-CB 3.3Å; A698-F753 HydrophobicContact CB-CD1 4.39Å; A698-F753 HydrophobicContact CB-CE1 3.89Å
699	R	81.4	Confident	85.3	Confident	65 Å²	65	52.8 Å²	52.8	25%	0.245	25%	0.253	C	S	.	.	H	α-helix	trans	-70.8	-27.5	-177.7	-76.4	-178.3	79.1	-172.5	8.3	113.1	N572 I695 A696 Y697	N572-R699 PolarHBondContact O-NH2 3.31Å; I695-R699 HydrophobicContact CG2-CG 4.45Å; I695-R699 VanDerWaalsContact O-CG 3.31Å; I695-R699 WeakPolarHBondContact O-CG 3.28Å; I695-R699 PolarHBondContact O-N 2.82Å; I695-R699 VanDerWaalsContact O-N 3.08Å; A696-R699 PolarHBondContact O-N 2.93Å; Y697-R699 VanDerWaalsContact C-N 3.35Å; Y697-R699 PolarHBondContact O-N 3.09Å
700	T	79.9	Confident	86.2	Confident	44 Å²	44	50.6 Å²	50.6	27%	0.27	24%	0.235	S	C	.	.	H	α-helix	trans	-99.9	-48.4	-174.5	52.9	0	0	0	0	113.3	L436 Q442 A696 Y697 A698	L436-T700 HydrophobicContact CD2-CG2 4.37Å; Q442-T700 PolarHBondContact OE1-OG1 3.35Å; A696-T700 PolarHBondContact O-N 3.11Å; A696-T700 PolarHBondContact O-OG1 3.11Å; Y697-T700 PolarHBondContact O-N 3.21Å; Y697-T700 PolarHBondContact O-OG1 2.99Å; A698-T700 VanDerWaalsContact C-N 3.33Å; A698-T700 PolarHBondContact O-N 3.48Å
701	Y	82.7	Confident	86.7	Confident	128 Å²	128	51.5 Å²	51.5	50%	0.502	24%	0.243	S	C	.	.	H	α-helix	trans	-81.4	-22.4	-175.6	-67.5	-78.1	0	0	0	114.1	Y697	Y697-Y701 AromaticContact CD2-CD2 3.45Å; Y697-Y701 HydrophobicContact CD2-CD2 3.45Å; Y697-Y701 VanDerWaalsContact CD2-CD2 3.45Å; Y697-Y701 AromaticContact CD2-CE2 3.7Å; Y697-Y701 HydrophobicContact CD2-CE2 3.7Å; Y697-Y701 HydrophobicContact CD2-CG 4.43Å; Y697-Y701 AromaticContact CE2-CD2 3.53Å; Y697-Y701 HydrophobicContact CE2-CD2 3.53Å; Y697-Y701 AromaticContact CE2-CE2 3.83Å; Y697-Y701 HydrophobicContact CE2-CE2 3.83Å; Y697-Y701 HydrophobicContact CE2-CG 4.12Å; Y697-Y701 AromaticContact CG-CD2 3.97Å; Y697-Y701 HydrophobicContact CG-CD2 3.97Å; Y697-Y701 PolarHBondContact O-N 2.89Å; Y697-Y701 VanDerWaalsContact O-N 3.11Å
702	I	85.9	Confident	87.2	Confident	12 Å²	12	58 Å²	58	6%	0.062	27%	0.273	C	S	.	.			trans	-116.6	107.5	-160.9	-42.8	-170.9	0	0	0	112	Y697 A698 P704 K750 F753	Y697-I702 HydrophobicContact CD1-CD1 4.39Å; Y697-I702 HydrophobicContact CE1-CD1 4.19Å; A698-I702 WeakPolarHBondContact O-CB 3.3Å; I702-P704 WeakPolarHBondContact O-CD 3.24Å; I702-K750 WeakPolarHBondContact O-CE 3.22Å; I702-F753 HydrophobicContact CD1-CB 3.52Å; I702-F753 HydrophobicContact CD1-CD1 3.24Å; I702-F753 HydrophobicContact CD1-CD2 4.14Å; I702-F753 HydrophobicContact CD1-CE1 3.95Å; I702-F753 HydrophobicContact CD1-CG 3.36Å
703	N	87.4	Confident	87.9	Confident	87 Å²	87	58 Å²	58	47%	0.465	28%	0.277	S	S	.	.			trans	-122.5	80.3	-177.6	-73.5	-63.3	0	0	0	111.2	T492	T492-N703 HydrophobicContact CG2-CB 4.49Å
704	P	90.9	Very high	88.4	Confident	3 Å²	3	57.6 Å²	57.6	2%	0.019	28%	0.275	C	S	.	.			trans	-58.9	138.8	-176.7	18.2	-31	0	0	0	114.1	T492 I702 E746 A749 K750 E755 V757	T492-P704 VanDerWaalsContact CG2-CD 3.41Å; T492-P704 HydrophobicContact CG2-CG 3.69Å; I702-P704 WeakPolarHBondContact O-CD 3.24Å; P704-E746 HydrophobicContact CG-CB 4.28Å; P704-E746 WeakPolarHBondContact CG-O 3.31Å; P704-A749 HydrophobicContact CB-CB 3.84Å; P704-A749 HydrophobicContact CG-CB 4.07Å; P704-K750 HydrophobicContact CG-CG 3.8Å; P704-E755 VanDerWaalsContact CA-O 3.32Å; P704-E755 WeakPolarHBondContact CA-O 3.46Å; P704-V757 HydrophobicContact CB-CG2 4.03Å
705	R	90.1	Very high	88.8	Confident	201 Å²	201	62.1 Å²	62.1	76%	0.758	30%	0.299	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	144.3	171.2	-63.5	-173.4	178.3	-166.6	0.4	110.8	E755 K756 V757	R705-E755 PolarHBondContact N-O 3.3Å; R705-K756 WeakPolarHBondContact O-CA 3.5Å; R705-V757 PolarHBondContact O-N 2.78Å
706	L	89.9	Confident	89	Confident	62 Å²	62	68 Å²	68	33%	0.325	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	135.1	177.5	-77.5	74	0	0	0	110.7	L714 I742 E746 V757	L706-L714 HydrophobicContact CD2-CD1 3.87Å; L706-I742 HydrophobicContact CD1-CG2 4.29Å; L706-I742 HydrophobicContact CD2-CG1 4.38Å; L706-I742 HydrophobicContact CD2-CG2 4.37Å; L706-E746 HydrophobicContact CD1-CG 4.25Å; L706-E746 WeakPolarHBondContact CD1-OE1 3.18Å; L706-V757 HydrophobicContact CD1-CG2 4.41Å; L706-V757 HydrophobicContact CG-CG2 4.38Å
707	S	93.5	Very high	89.3	Confident	34 Å²	34	67.7 Å²	67.7	24%	0.238	32%	0.323	C	S	.	.			trans	-80.9	161.4	164.8	64.5	0	0	0	0	111.3	A710 S711 V757	S707-A710 WeakPolarHBondContact OG-CB 3.21Å; S707-A710 PolarHBondContact OG-N 3.11Å; S707-A710 VanDerWaalsContact OG-N 3.17Å; S707-S711 WeakPolarHBondContact O-CB 3.46Å; S707-S711 PolarHBondContact O-N 3.22Å; S707-V757 WeakPolarHBondContact CB-O 3.37Å; S707-V757 PolarHBondContact OG-O 3.22Å
708	E	91.3	Very high	89.4	Confident	168 Å²	168	67.7 Å²	67.7	79%	0.785	32%	0.323	S	S	*	.	H	α-helix	trans	-65.3	-40.1	176	-170.6	169.9	-173.4	0	0	111.6	S711 Q712	E708-S711 WeakPolarHBondContact O-CB 3.28Å; E708-S711 PolarHBondContact O-N 3.42Å; E708-Q712 PolarHBondContact O-N 2.97Å
709	E	93.1	Very high	89.5	Confident	143 Å²	143	71 Å²	71	67%	0.668	34%	0.343	S	S	*	.	H	α-helix	trans	-61.8	-47.1	175.9	-60.9	-179.1	-179.9	0	0	112	S711 Q712 A713 T759	E709-S711 VanDerWaalsContact C-N 3.32Å; E709-S711 PolarHBondContact O-N 3.01Å; E709-Q712 PolarHBondContact O-N 2.93Å; E709-A713 PolarHBondContact O-N 3.15Å; E709-T759 HydrophobicContact CB-CG2 4Å
710	A	93.5	Very high	89.7	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-63.1	-37.5	175.3	0	0	0	0	0	112.1	S707 Q712 A713 L714 V757 V762	S707-A710 WeakPolarHBondContact OG-CB 3.21Å; S707-A710 PolarHBondContact OG-N 3.11Å; S707-A710 VanDerWaalsContact OG-N 3.17Å; A710-Q712 VanDerWaalsContact C-N 3.34Å; A710-Q712 PolarHBondContact O-N 2.66Å; A710-A713 PolarHBondContact O-N 3.43Å; A710-L714 WeakPolarHBondContact O-CB 3.25Å; A710-L714 VanDerWaalsContact O-CG 3.3Å; A710-L714 WeakPolarHBondContact O-CG 3.38Å; A710-L714 PolarHBondContact O-N 3.44Å; A710-V757 HydrophobicContact CB-CB 4.47Å; A710-V757 HydrophobicContact CB-CG1 4.16Å; A710-V762 HydrophobicContact CB-CG2 3.88Å
711	S	92	Very high	89.7	Confident	51 Å²	51	67.8 Å²	67.8	36%	0.357	33%	0.329	S	S	.	.	H	α-helix	trans	-59.9	-43.4	174.9	-173.5	0	0	0	0	111.9	S707 E708 E709 L714 I715	S707-S711 WeakPolarHBondContact O-CB 3.46Å; S707-S711 PolarHBondContact O-N 3.22Å; E708-S711 WeakPolarHBondContact O-CB 3.28Å; E708-S711 PolarHBondContact O-N 3.42Å; E709-S711 VanDerWaalsContact C-N 3.32Å; E709-S711 PolarHBondContact O-N 3.01Å; S711-L714 PolarHBondContact O-N 2.68Å; S711-I715 WeakPolarHBondContact O-CG1 3.23Å; S711-I715 PolarHBondContact O-N 3.38Å; S711-I715 VanDerWaalsContact O-N 3.15Å
712	Q	93.2	Very high	89.6	Confident	140 Å²	140	68.6 Å²	68.6	65%	0.654	33%	0.331	S	S	*	.	H	α-helix	trans	-68	-41.9	178.3	-167	132.9	-16	0	0	112	E708 E709 A710 L714 I715 E716	E708-Q712 PolarHBondContact O-N 2.97Å; E709-Q712 PolarHBondContact O-N 2.93Å; A710-Q712 VanDerWaalsContact C-N 3.34Å; A710-Q712 PolarHBondContact O-N 2.66Å; Q712-L714 VanDerWaalsContact C-N 3.33Å; Q712-L714 PolarHBondContact O-N 3.29Å; Q712-I715 PolarHBondContact O-N 2.77Å; Q712-E716 PolarHBondContact O-N 3.22Å; Q712-E716 VanDerWaalsContact O-N 3.11Å
713	A	93.2	Very high	89.4	Confident	24 Å²	24	74.4 Å²	74.4	20%	0.198	36%	0.356	C	S	.	.	H	α-helix	trans	-61.2	-38.3	174.5	0	0	0	0	0	112.7	E709 A710 E716 A717 V762	E709-A713 PolarHBondContact O-N 3.15Å; A710-A713 PolarHBondContact O-N 3.43Å; A713-E716 PolarHBondContact O-N 3.05Å; A713-A717 VanDerWaalsContact O-CB 3.26Å; A713-A717 WeakPolarHBondContact O-CB 3.43Å; A713-A717 PolarHBondContact O-N 3.19Å; A713-V762 HydrophobicContact CB-CB 4.46Å; A713-V762 HydrophobicContact CB-CG1 4.04Å
714	L	93.1	Very high	88.8	Confident	5 Å²	5	73.4 Å²	73.4	3%	0.026	35%	0.35	C	S	.	.	H	α-helix	trans	-63.8	-41.4	175.1	-79.3	163.3	0	0	0	112.4	L706 A710 S711 Q712 A717 Y718 L738 L741 I742 V762	L706-L714 HydrophobicContact CD2-CD1 3.87Å; A710-L714 WeakPolarHBondContact O-CB 3.25Å; A710-L714 VanDerWaalsContact O-CG 3.3Å; A710-L714 WeakPolarHBondContact O-CG 3.38Å; A710-L714 PolarHBondContact O-N 3.44Å; S711-L714 PolarHBondContact O-N 2.68Å; Q712-L714 VanDerWaalsContact C-N 3.33Å; Q712-L714 PolarHBondContact O-N 3.29Å; L714-A717 PolarHBondContact O-N 2.97Å; L714-Y718 WeakPolarHBondContact O-CB 3.4Å; L714-Y718 PolarHBondContact O-N 2.89Å; L714-L738 HydrophobicContact CB-CD1 4.14Å; L714-L741 HydrophobicContact CD2-CB 3.74Å; L714-I742 HydrophobicContact CD1-CG1 3.89Å; L714-I742 HydrophobicContact CD2-CG1 4.43Å; L714-V762 HydrophobicContact CB-CG1 4.49Å; L714-V762 HydrophobicContact CD1-CG2 4.19Å; L714-V762 HydrophobicContact CD2-CG1 3.74Å; L714-V762 HydrophobicContact CD2-CG2 4.15Å; L714-V762 HydrophobicContact CG-CB 4.43Å; L714-V762 HydrophobicContact CG-CG1 3.74Å; L714-V762 HydrophobicContact CG-CG2 3.77Å
715	I	92.8	Very high	87.7	Confident	97 Å²	97	73.8 Å²	73.8	50%	0.497	35%	0.354	S	S	.	.	H	α-helix	trans	-63.4	-47.2	177.3	-67.5	163.7	0	0	0	110.4	S711 Q712 Y718 V719	S711-I715 WeakPolarHBondContact O-CG1 3.23Å; S711-I715 PolarHBondContact O-N 3.38Å; S711-I715 VanDerWaalsContact O-N 3.15Å; Q712-I715 PolarHBondContact O-N 2.77Å; I715-Y718 PolarHBondContact O-N 2.96Å; I715-V719 WeakPolarHBondContact O-CG2 2.9Å; I715-V719 PolarHBondContact O-N 3.04Å
716	E	91.2	Very high	86.6	Confident	126 Å²	126	68.8 Å²	68.8	59%	0.589	35%	0.351	S	S	*	.	H	α-helix	trans	-62.4	-45.6	177	-177	168.9	-156.7	0	0	111.6	Q712 A713 Y718 V719 D720	Q712-E716 PolarHBondContact O-N 3.22Å; Q712-E716 VanDerWaalsContact O-N 3.11Å; A713-E716 PolarHBondContact O-N 3.05Å; E716-Y718 VanDerWaalsContact C-N 3.34Å; E716-Y718 PolarHBondContact O-N 3.49Å; E716-V719 PolarHBondContact O-N 2.9Å; E716-D720 PolarHBondContact O-N 3.35Å
717	A	87.9	Confident	85.3	Confident	1 Å²	1	67 Å²	67	1%	0.008	35%	0.347	C	S	.	.	H	α-helix	trans	-56.8	-44	176.4	0	0	0	0	0	112.9	A713 L714 D720 M721 K766	A713-A717 VanDerWaalsContact O-CB 3.26Å; A713-A717 WeakPolarHBondContact O-CB 3.43Å; A713-A717 PolarHBondContact O-N 3.19Å; L714-A717 PolarHBondContact O-N 2.97Å; A717-D720 PolarHBondContact O-N 2.91Å; A717-M721 WeakPolarHBondContact O-CG 3.44Å; A717-M721 PolarHBondContact O-N 2.97Å; A717-K766 HydrophobicContact CB-CD 3.67Å; A717-K766 HydrophobicContact CB-CG 4.23Å
718	Y	88.4	Confident	83.5	Confident	31 Å²	31	74 Å²	74	12%	0.122	38%	0.375	C	S	.	.	H	α-helix	trans	-67	-41.9	176.9	172	-109.6	0	0	0	112.6	L714 I715 E716 D720 M721 R722 L738	L714-Y718 WeakPolarHBondContact O-CB 3.4Å; L714-Y718 PolarHBondContact O-N 2.89Å; I715-Y718 PolarHBondContact O-N 2.96Å; E716-Y718 VanDerWaalsContact C-N 3.34Å; E716-Y718 PolarHBondContact O-N 3.49Å; Y718-D720 VanDerWaalsContact C-N 3.31Å; Y718-D720 PolarHBondContact O-N 3.11Å; Y718-M721 PolarHBondContact O-N 3.17Å; Y718-R722 PolarHBondContact O-N 3.26Å; Y718-L738 HydrophobicContact CD2-CB 4.03Å; Y718-L738 HydrophobicContact CE2-CB 4.5Å; Y718-L738 HydrophobicContact CG-CB 4.22Å
719	V	88.9	Confident	81.8	Confident	68 Å²	68	67 Å²	67	41%	0.412	35%	0.349	S	S	.	.	H	α-helix	trans	-61.5	-40.8	176.1	166.9	0	0	0	0	111	I715 E716 R722 K723	I715-V719 WeakPolarHBondContact O-CG2 2.9Å; I715-V719 PolarHBondContact O-N 3.04Å; E716-V719 PolarHBondContact O-N 2.9Å; V719-R722 PolarHBondContact O-N 3.24Å; V719-K723 WeakPolarHBondContact O-CG 3.5Å; V719-K723 PolarHBondContact O-N 2.64Å; V719-K723 VanDerWaalsContact O-N 3.08Å
720	D	84.1	Confident	80.3	Confident	36 Å²	36	61.7 Å²	61.7	19%	0.193	32%	0.324	C	S	.	.	H	α-helix	trans	-64.6	-46.6	174.9	-73.3	-17.2	0	0	0	113	E716 A717 Y718 R722 K723 I724 K766	E716-D720 PolarHBondContact O-N 3.35Å; A717-D720 PolarHBondContact O-N 2.91Å; Y718-D720 VanDerWaalsContact C-N 3.31Å; Y718-D720 PolarHBondContact O-N 3.11Å; D720-R722 PolarHBondContact O-N 3.4Å; D720-K723 PolarHBondContact O-N 3.12Å; D720-K723 VanDerWaalsContact O-N 3.16Å; D720-K723 IonicContact OD1-NZ 3.94Å; D720-K723 PolarHBondContact OD1-NZ 3.04Å; D720-I724 WeakPolarHBondContact O-CG1 3.46Å; D720-I724 PolarHBondContact O-N 3.41Å; D720-K766 IonicContact OD2-NZ 2.81Å; D720-K766 PolarHBondContact OD2-NZ 3.08Å
721	M	79.7	Confident	78.9	Confident	6 Å²	6	63.7 Å²	63.7	3%	0.03	34%	0.336	C	S	.	.	H	α-helix	trans	-57.4	-37.3	175.9	-71.8	178	-162.4	0	0	111.5	A717 Y718 I724 G725 L741 K766	A717-M721 WeakPolarHBondContact O-CG 3.44Å; A717-M721 PolarHBondContact O-N 2.97Å; Y718-M721 PolarHBondContact O-N 3.17Å; M721-I724 PolarHBondContact O-N 3.22Å; M721-G725 PolarHBondContact O-N 3.47Å; M721-L741 HydrophobicContact CE-CD1 3.71Å; M721-L741 HydrophobicContact CE-CD2 3.99Å; M721-L741 HydrophobicContact CE-CG 4.42Å; M721-L741 HydrophobicContact SD-CD1 3.91Å; M721-K766 HydrophobicContact CE-CB 4.41Å; M721-K766 HydrophobicContact CE-CG 3.87Å
722	R	81.9	Confident	77.6	Confident	146 Å²	146	64 Å²	64	55%	0.551	34%	0.338	S	S	*	.	H	α-helix	trans	-71.3	-35.1	177.8	-163.8	172	-176	-176.7	1.4	113.7	Y718 V719 D720 S726 A733	Y718-R722 PolarHBondContact O-N 3.26Å; V719-R722 PolarHBondContact O-N 3.24Å; D720-R722 PolarHBondContact O-N 3.4Å; R722-S726 PolarHBondContact O-N 3.39Å; R722-S726 PolarHBondContact O-OG 2.92Å; R722-A733 HydrophobicContact CB-CB 4.2Å; R722-A733 HydrophobicContact CG-CB 4.41Å
723	K	81.7	Confident	76.5	Confident	133 Å²	133	58.1 Å²	58.1	58%	0.578	31%	0.314	S	S	*	.	H	α-helix	trans	-62.1	-46.2	170.6	-66	166.5	-163.8	152.6	0	110.8	V719 D720 S726	V719-K723 WeakPolarHBondContact O-CG 3.5Å; V719-K723 PolarHBondContact O-N 2.64Å; V719-K723 VanDerWaalsContact O-N 3.08Å; D720-K723 PolarHBondContact O-N 3.12Å; D720-K723 VanDerWaalsContact O-N 3.16Å; D720-K723 IonicContact OD1-NZ 3.94Å; D720-K723 PolarHBondContact OD1-NZ 3.04Å; K723-S726 WeakPolarHBondContact O-CB 3.36Å; K723-S726 PolarHBondContact O-N 2.92Å
724	I	74.2	Confident	76	Confident	66 Å²	66	60.8 Å²	60.8	34%	0.338	32%	0.319	S	S	.	.	H	α-helix	trans	-66.7	-48.4	-178.8	-64	163.5	0	0	0	110.6	D720 M721 S726 G727 M730	D720-I724 WeakPolarHBondContact O-CG1 3.46Å; D720-I724 PolarHBondContact O-N 3.41Å; M721-I724 PolarHBondContact O-N 3.22Å; I724-S726 PolarHBondContact O-N 3.23Å; I724-G727 PolarHBondContact O-N 3.45Å; I724-M730 HydrophobicContact CG2-CE 4.11Å
725	G	67.8	Low	75.6	Confident	11 Å²	11	64.8 Å²	64.8	11%	0.113	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	12.2	179.4	0	0	0	0	0	115.9	M721	M721-G725 PolarHBondContact O-N 3.47Å
726	S	68.2	Low	75.2	Confident	97 Å²	97	63.6 Å²	63.6	68%	0.678	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-4.1	171.7	-63.4	0	0	0	0	113.1	R722 K723 I724	R722-S726 PolarHBondContact O-N 3.39Å; R722-S726 PolarHBondContact O-OG 2.92Å; K723-S726 WeakPolarHBondContact O-CB 3.36Å; K723-S726 PolarHBondContact O-N 2.92Å; I724-S726 PolarHBondContact O-N 3.23Å
727	G	62.2	Low	75	Confident	24 Å²	24	58.7 Å²	58.7	25%	0.247	31%	0.312	C	S	.	.	S	Bend	trans	-73	149.9	173.7	0	0	0	0	0	113.7	I724	I724-G727 PolarHBondContact O-N 3.45Å
728	H	54.4	Low	75	Confident	180 Å²	180	60.8 Å²	60.8	83%	0.833	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	134.1	178.8	-171.5	-75.1	0	0	0	111.3	M730	H728-M730 VanDerWaalsContact C-N 3.32Å; H728-M730 PolarHBondContact O-N 3.01Å
729	G	56.7	Low	75	Confident	22 Å²	22	62.7 Å²	62.7	23%	0.227	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	-2.9	177	0	0	0	0	0	115.9
730	M	61.5	Low	75.1	Confident	32 Å²	32	59.7 Å²	59.7	16%	0.158	31%	0.314	C	S	.	.	S	Bend	trans	-89.5	159.5	172.9	-62.2	-176.3	76.6	0	0	111.6	I724 H728 S732	I724-M730 HydrophobicContact CG2-CE 4.11Å; H728-M730 VanDerWaalsContact C-N 3.32Å; H728-M730 PolarHBondContact O-N 3.01Å; M730-S732 PolarHBondContact O-N 2.79Å; M730-S732 VanDerWaalsContact O-N 3.13Å
731	V	63.8	Low	75.4	Confident	42 Å²	42	58 Å²	58	26%	0.255	31%	0.306	S	S	.	.			trans	-68.2	109.4	172.8	-178.9	0	0	0	0	108.9	A733	V731-A733 PolarHBondContact O-N 3Å
732	S	64.8	Low	76	Confident	57 Å²	57	59.9 Å²	59.9	40%	0.399	32%	0.315	S	S	.	.			trans	-59	134.9	178	-54.8	0	0	0	0	111.5	M730 Y734	M730-S732 PolarHBondContact O-N 2.79Å; M730-S732 VanDerWaalsContact O-N 3.13Å; S732-Y734 VanDerWaalsContact O-CD2 3.25Å; S732-Y734 WeakPolarHBondContact O-CD2 3.45Å; S732-Y734 WeakPolarHBondContact O-CE2 3.48Å; S732-Y734 PolarHBondContact O-N 2.95Å
733	A	71.1	Confident	76.5	Confident	16 Å²	16	53.8 Å²	53.8	13%	0.132	29%	0.292	C	S	.	.			trans	-73.4	115.8	-177.8	0	0	0	0	0	111.8	R722 V731	R722-A733 HydrophobicContact CB-CB 4.2Å; R722-A733 HydrophobicContact CG-CB 4.41Å; V731-A733 PolarHBondContact O-N 3Å
734	Y	81.8	Confident	77	Confident	80 Å²	80	47.4 Å²	47.4	31%	0.314	27%	0.265	S	S	.	.			trans	-98.5	153.6	178	-59.6	-71.2	0	0	0	111.4	S732 R736 Q737	S732-Y734 VanDerWaalsContact O-CD2 3.25Å; S732-Y734 WeakPolarHBondContact O-CD2 3.45Å; S732-Y734 WeakPolarHBondContact O-CE2 3.48Å; S732-Y734 PolarHBondContact O-N 2.95Å; Y734-R736 PolarHBondContact O-N 3.03Å; Y734-Q737 WeakPolarHBondContact O-CB 3.39Å; Y734-Q737 PolarHBondContact O-N 2.81Å
735	P	84	Confident	78	Confident	89 Å²	89	44.3 Å²	44.3	58%	0.578	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-29	175.7	-27.8	35.5	0	0	0	114.6	Q737 L738	P735-Q737 PolarHBondContact O-N 3.41Å; P735-L738 WeakPolarHBondContact O-CB 3.46Å; P735-L738 PolarHBondContact O-N 3.43Å
736	R	84.7	Confident	79.2	Confident	72 Å²	72	44 Å²	44	27%	0.272	25%	0.245	S	C	.	.	H	α-helix	trans	-54.2	-32.2	173.9	-71.1	-176.5	179.7	146.1	-0.8	113.4	E596 S646 Y734 L738 E739 S740	E596-R736 IonicContact OE1-CZ 3.77Å; E596-R736 IonicContact OE1-NE 3.93Å; E596-R736 PolarHBondContact OE1-NE 2.91Å; E596-R736 IonicContact OE1-NH2 3.26Å; E596-R736 PolarHBondContact OE1-NH2 2.94Å; E596-R736 IonicContact OE2-CZ 3.73Å; E596-R736 IonicContact OE2-NE 3.78Å; E596-R736 IonicContact OE2-NH2 3.95Å; E596-R736 PolarHBondContact OE2-NH2 2.84Å; E596-R736 VanDerWaalsContact OE2-NH2 3.07Å; S646-R736 WeakPolarHBondContact O-CD 3.45Å; S646-R736 PolarHBondContact OG-NH1 3.12Å; Y734-R736 PolarHBondContact O-N 3.03Å; R736-L738 VanDerWaalsContact C-N 3.26Å; R736-L738 PolarHBondContact O-N 3Å; R736-E739 WeakPolarHBondContact O-CA 3.43Å; R736-E739 WeakPolarHBondContact O-CB 3.44Å; R736-E739 PolarHBondContact O-N 3.2Å; R736-S740 PolarHBondContact O-N 2.89Å; R736-S740 PolarHBondContact O-OG 2.65Å; R736-S740 VanDerWaalsContact O-OG 3.14Å
737	Q	86.4	Confident	80.3	Confident	24 Å²	24	39.4 Å²	39.4	11%	0.112	21%	0.212	C	C	.	.	H	α-helix	trans	-65.6	-28.7	178.6	-68.1	173.2	-21.5	0	0	112.5	Y734 P735 S740 L741	Y734-Q737 WeakPolarHBondContact O-CB 3.39Å; Y734-Q737 PolarHBondContact O-N 2.81Å; P735-Q737 PolarHBondContact O-N 3.41Å; Q737-S740 WeakPolarHBondContact O-CB 3.29Å; Q737-S740 PolarHBondContact O-N 2.8Å; Q737-L741 WeakPolarHBondContact O-CG 3.16Å; Q737-L741 PolarHBondContact O-N 2.95Å
738	L	89.7	Confident	81.8	Confident	45 Å²	45	39 Å²	39	24%	0.236	20%	0.204	C	C	.	.	H	α-helix	trans	-67.1	-38.7	172	178.5	59.7	0	0	0	110.8	L714 Y718 P735 R736 L741 I742	L714-L738 HydrophobicContact CB-CD1 4.14Å; Y718-L738 HydrophobicContact CD2-CB 4.03Å; Y718-L738 HydrophobicContact CE2-CB 4.5Å; Y718-L738 HydrophobicContact CG-CB 4.22Å; P735-L738 WeakPolarHBondContact O-CB 3.46Å; P735-L738 PolarHBondContact O-N 3.43Å; R736-L738 VanDerWaalsContact C-N 3.26Å; R736-L738 PolarHBondContact O-N 3Å; L738-L741 PolarHBondContact O-N 2.85Å; L738-I742 HydrophobicContact CD1-CD1 4.4Å; L738-I742 HydrophobicContact CG-CD1 4.19Å; L738-I742 WeakPolarHBondContact O-CD1 3.3Å; L738-I742 VanDerWaalsContact O-CG1 3.25Å; L738-I742 WeakPolarHBondContact O-CG1 3.25Å; L738-I742 PolarHBondContact O-N 2.99Å
739	E	88.4	Confident	83.6	Confident	71 Å²	71	30.4 Å²	30.4	33%	0.332	16%	0.164	S	C	.	.	H	α-helix	trans	-64	-40.9	171.5	-55	-178.7	-172.1	0	0	111.7	R736 L741 I742 R743	R736-E739 WeakPolarHBondContact O-CA 3.43Å; R736-E739 WeakPolarHBondContact O-CB 3.44Å; R736-E739 PolarHBondContact O-N 3.2Å; E739-L741 PolarHBondContact O-N 2.93Å; E739-I742 PolarHBondContact O-N 3.4Å; E739-R743 WeakPolarHBondContact O-CG 3.13Å; E739-R743 PolarHBondContact O-N 2.82Å; E739-R743 IonicContact OE2-CZ 2.76Å; E739-R743 IonicContact OE2-NH1 3.17Å; E739-R743 IonicContact OE2-NH2 2.58Å; E739-R743 PolarHBondContact OE2-NH2 3.48Å
740	S	90	Very high	85.2	Confident	4 Å²	4	29.7 Å²	29.7	3%	0.028	16%	0.155	C	C	.	.	H	α-helix	trans	-57.7	-46.4	174.3	-54.3	0	0	0	0	111.9	D649 R736 Q737 I742 R743 L744	D649-S740 WeakPolarHBondContact OD1-CA 3.43Å; D649-S740 VanDerWaalsContact OD1-CB 3.23Å; D649-S740 WeakPolarHBondContact OD1-CB 3.29Å; D649-S740 PolarHBondContact OD1-OG 2.89Å; R736-S740 PolarHBondContact O-N 2.89Å; R736-S740 PolarHBondContact O-OG 2.65Å; R736-S740 VanDerWaalsContact O-OG 3.14Å; Q737-S740 WeakPolarHBondContact O-CB 3.29Å; Q737-S740 PolarHBondContact O-N 2.8Å; S740-I742 PolarHBondContact O-N 2.97Å; S740-R743 PolarHBondContact O-N 3.42Å; S740-L744 WeakPolarHBondContact O-CB 3.4Å; S740-L744 VanDerWaalsContact O-CG 3.28Å; S740-L744 WeakPolarHBondContact O-CG 3.39Å; S740-L744 PolarHBondContact O-N 2.82Å
741	L	91.6	Very high	86.6	Confident	2 Å²	2	28.2 Å²	28.2	1%	0.01	15%	0.147	C	C	.	.	H	α-helix	trans	-63.9	-39	176.8	-69.8	169.3	0	0	0	112.4	L714 M721 Q737 L738 E739 L744 A745 A765 H769	L714-L741 HydrophobicContact CD2-CB 3.74Å; M721-L741 HydrophobicContact CE-CD1 3.71Å; M721-L741 HydrophobicContact CE-CD2 3.99Å; M721-L741 HydrophobicContact CE-CG 4.42Å; M721-L741 HydrophobicContact SD-CD1 3.91Å; Q737-L741 WeakPolarHBondContact O-CG 3.16Å; Q737-L741 PolarHBondContact O-N 2.95Å; L738-L741 PolarHBondContact O-N 2.85Å; E739-L741 PolarHBondContact O-N 2.93Å; L741-L744 PolarHBondContact O-N 2.96Å; L741-A745 VanDerWaalsContact O-CB 3.31Å; L741-A745 WeakPolarHBondContact O-CB 3.45Å; L741-A745 PolarHBondContact O-N 2.96Å; L741-A765 HydrophobicContact CD2-CB 4.41Å; L741-H769 HydrophobicContact CD2-CB 4.21Å
742	I	92.1	Very high	87.8	Confident	45 Å²	45	29.3 Å²	29.3	23%	0.231	15%	0.147	C	C	.	.	H	α-helix	trans	-62.3	-47	174.8	-69.7	163	0	0	0	110.6	L706 L714 L738 E739 S740 L744 A745 E746	L706-I742 HydrophobicContact CD1-CG2 4.29Å; L706-I742 HydrophobicContact CD2-CG1 4.38Å; L706-I742 HydrophobicContact CD2-CG2 4.37Å; L714-I742 HydrophobicContact CD1-CG1 3.89Å; L714-I742 HydrophobicContact CD2-CG1 4.43Å; L738-I742 HydrophobicContact CD1-CD1 4.4Å; L738-I742 HydrophobicContact CG-CD1 4.19Å; L738-I742 WeakPolarHBondContact O-CD1 3.3Å; L738-I742 VanDerWaalsContact O-CG1 3.25Å; L738-I742 WeakPolarHBondContact O-CG1 3.25Å; L738-I742 PolarHBondContact O-N 2.99Å; E739-I742 PolarHBondContact O-N 3.4Å; S740-I742 PolarHBondContact O-N 2.97Å; I742-L744 PolarHBondContact O-N 3.41Å; I742-A745 PolarHBondContact O-N 2.67Å; I742-E746 WeakPolarHBondContact CG2-OE1 3.39Å; I742-E746 WeakPolarHBondContact O-CB 3.42Å; I742-E746 WeakPolarHBondContact O-CG 3.48Å; I742-E746 PolarHBondContact O-N 2.89Å
743	R	91.7	Very high	89	Confident	17 Å²	17	28.2 Å²	28.2	6%	0.064	14%	0.135	C	C	.	.	H	α-helix	trans	-59.9	-43.2	176.5	-69	170.1	-171.5	118.5	16.5	112.1	R505 V508 D649 E739 S740 A747	R505-R743 PolarHBondContact O-NE 2.91Å; R505-R743 PolarHBondContact O-NH2 2.84Å; V508-R743 HydrophobicContact CG2-CB 4.12Å; D649-R743 IonicContact OD1-NH1 3.66Å; D649-R743 PolarHBondContact OD1-NH1 2.79Å; E739-R743 WeakPolarHBondContact O-CG 3.13Å; E739-R743 PolarHBondContact O-N 2.82Å; E739-R743 IonicContact OE2-CZ 2.76Å; E739-R743 IonicContact OE2-NH1 3.17Å; E739-R743 IonicContact OE2-NH2 2.58Å; E739-R743 PolarHBondContact OE2-NH2 3.48Å; S740-R743 PolarHBondContact O-N 3.42Å; R743-A747 WeakPolarHBondContact O-CB 3.48Å; R743-A747 PolarHBondContact O-N 3.49Å
744	L	93	Very high	89.9	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-69	-43	-179.9	-70.7	169.1	0	0	0	112.3	L486 V508 L650 S740 L741 I742 A747 H748 A765	L486-L744 HydrophobicContact CB-CD2 4.4Å; L486-L744 HydrophobicContact CD1-CD2 4Å; V508-L744 HydrophobicContact CG1-CD2 3.99Å; V508-L744 HydrophobicContact CG2-CD2 4.32Å; L650-L744 HydrophobicContact CD1-CD1 4.32Å; L650-L744 HydrophobicContact CD1-CD2 3.83Å; L650-L744 HydrophobicContact CD2-CD1 3.83Å; L650-L744 HydrophobicContact CG-CD1 4.05Å; L650-L744 HydrophobicContact CG-CD2 4.3Å; S740-L744 WeakPolarHBondContact O-CB 3.4Å; S740-L744 VanDerWaalsContact O-CG 3.28Å; S740-L744 WeakPolarHBondContact O-CG 3.39Å; S740-L744 PolarHBondContact O-N 2.82Å; L741-L744 PolarHBondContact O-N 2.96Å; I742-L744 PolarHBondContact O-N 3.41Å; L744-A747 PolarHBondContact O-N 3.48Å; L744-H748 WeakPolarHBondContact O-CB 3.49Å; L744-H748 PolarHBondContact O-N 2.87Å; L744-A765 HydrophobicContact CB-CB 3.85Å
745	A	93.8	Very high	90.3	Very high	1 Å²	1	32 Å²	32	1%	0.008	16%	0.156	C	C	.	.	H	α-helix	trans	-65.9	-38.5	176.8	0	0	0	0	0	111.9	L741 I742 H748 A749 V757 D761 V762 A765	L741-A745 VanDerWaalsContact O-CB 3.31Å; L741-A745 WeakPolarHBondContact O-CB 3.45Å; L741-A745 PolarHBondContact O-N 2.96Å; I742-A745 PolarHBondContact O-N 2.67Å; A745-H748 PolarHBondContact O-N 2.99Å; A745-A749 WeakPolarHBondContact O-CB 3.47Å; A745-A749 PolarHBondContact O-N 2.8Å; A745-V757 HydrophobicContact CB-CG1 3.84Å; A745-D761 HydrophobicContact CB-CB 4.21Å; A745-V762 HydrophobicContact CB-CG2 4.22Å; A745-A765 HydrophobicContact CB-CB 4.42Å
746	E	92.6	Very high	90.7	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.023	16%	0.157	C	C	.	.	H	α-helix	trans	-64.5	-44.2	171.1	-76	171.7	-153.8	0	0	112.7	T492 K494 P704 L706 I742 H748 A749 K750 V757	T492-E746 WeakPolarHBondContact CB-OE2 3.48Å; T492-E746 PolarHBondContact N-OE2 3.48Å; T492-E746 PolarHBondContact OG1-OE2 3.2Å; K494-E746 WeakPolarHBondContact CE-OE1 3.38Å; K494-E746 IonicContact NZ-OE1 3.31Å; K494-E746 PolarHBondContact NZ-OE1 3.16Å; P704-E746 HydrophobicContact CG-CB 4.28Å; P704-E746 WeakPolarHBondContact CG-O 3.31Å; L706-E746 HydrophobicContact CD1-CG 4.25Å; L706-E746 WeakPolarHBondContact CD1-OE1 3.18Å; I742-E746 WeakPolarHBondContact CG2-OE1 3.39Å; I742-E746 WeakPolarHBondContact O-CB 3.42Å; I742-E746 WeakPolarHBondContact O-CG 3.48Å; I742-E746 PolarHBondContact O-N 2.89Å; E746-H748 VanDerWaalsContact C-N 3.29Å; E746-H748 PolarHBondContact O-N 3.46Å; E746-A749 PolarHBondContact O-N 3.11Å; E746-K750 PolarHBondContact O-N 2.94Å; E746-V757 HydrophobicContact CG-CG2 4.06Å
747	A	92.3	Very high	91.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.3	-40	176.3	0	0	0	0	0	111.1	L486 R743 L744 K750 V751	L486-A747 HydrophobicContact CB-CB 4.1Å; L486-A747 HydrophobicContact CD2-CB 3.94Å; R743-A747 WeakPolarHBondContact O-CB 3.48Å; R743-A747 PolarHBondContact O-N 3.49Å; L744-A747 PolarHBondContact O-N 3.48Å; A747-K750 WeakPolarHBondContact O-CB 3.42Å; A747-K750 PolarHBondContact O-N 3.46Å; A747-V751 WeakPolarHBondContact O-CG2 3.38Å; A747-V751 PolarHBondContact O-N 2.94Å; A747-V751 VanDerWaalsContact O-N 3.15Å
748	H	92.9	Very high	91.5	Very high	14 Å²	14	34 Å²	34	7%	0.065	16%	0.158	C	C	.	.	H	α-helix	trans	-68.2	-41.5	177.4	-172.1	-99.6	0	0	0	112.2	Y463 L486 L744 A745 E746 K750 V751 R752 D761	Y463-H748 AromaticContact CD1-NE2 3.89Å; Y463-H748 AromaticContact CD2-CD2 3.98Å; Y463-H748 AromaticContact CE1-NE2 3.99Å; Y463-H748 AromaticContact CE2-CD2 3.77Å; Y463-H748 AromaticContact CG-NE2 3.92Å; Y463-H748 AromaticContact CZ-CD2 3.85Å; L486-H748 HydrophobicContact CD2-CB 3.85Å; L744-H748 WeakPolarHBondContact O-CB 3.49Å; L744-H748 PolarHBondContact O-N 2.87Å; A745-H748 PolarHBondContact O-N 2.99Å; E746-H748 VanDerWaalsContact C-N 3.29Å; E746-H748 PolarHBondContact O-N 3.46Å; H748-K750 VanDerWaalsContact C-N 3.28Å; H748-K750 PolarHBondContact O-N 3.19Å; H748-V751 WeakPolarHBondContact O-CB 2.91Å; H748-V751 PolarHBondContact O-N 2.93Å; H748-R752 PolarHBondContact O-N 3.4Å; H748-D761 HydrophobicContact CB-CB 4.44Å; H748-D761 IonicContact CE1-OD1 2.9Å; H748-D761 IonicContact CG-OD1 3.92Å; H748-D761 IonicContact ND1-OD1 3.71Å; H748-D761 PolarHBondContact ND1-OD1 3.17Å
749	A	92.4	Very high	91.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-59.1	-38.2	172.5	0	0	0	0	0	112.1	P704 A745 E746 R752 F753 S754 V757	P704-A749 HydrophobicContact CB-CB 3.84Å; P704-A749 HydrophobicContact CG-CB 4.07Å; A745-A749 WeakPolarHBondContact O-CB 3.47Å; A745-A749 PolarHBondContact O-N 2.8Å; E746-A749 PolarHBondContact O-N 3.11Å; A749-R752 PolarHBondContact O-N 2.84Å; A749-F753 PolarHBondContact O-N 3.18Å; A749-S754 PolarHBondContact O-N 3.42Å; A749-V757 HydrophobicContact CB-CG2 4.19Å
750	K	90.6	Very high	91.8	Very high	8 Å²	8	34.9 Å²	34.9	4%	0.035	17%	0.166	C	C	.	.	H	α-helix	trans	-62.9	-37.5	171.9	-72.3	-172.4	-171.5	170.9	0	113.2	F489 G490 G491 I702 P704 E746 A747 H748 R752 F753	F489-K750 PolarHBondContact O-NZ 3.45Å; G490-K750 WeakPolarHBondContact O-CD 3.33Å; G490-K750 WeakPolarHBondContact O-CE 3.43Å; G490-K750 PolarHBondContact O-NZ 3.31Å; G491-K750 PolarHBondContact O-NZ 2.89Å; I702-K750 WeakPolarHBondContact O-CE 3.22Å; P704-K750 HydrophobicContact CG-CG 3.8Å; E746-K750 PolarHBondContact O-N 2.94Å; A747-K750 WeakPolarHBondContact O-CB 3.42Å; A747-K750 PolarHBondContact O-N 3.46Å; H748-K750 VanDerWaalsContact C-N 3.28Å; H748-K750 PolarHBondContact O-N 3.19Å; K750-R752 PolarHBondContact O-N 2.85Å; K750-F753 WeakPolarHBondContact O-CD1 3.38Å; K750-F753 PolarHBondContact O-N 2.82Å; K750-F753 VanDerWaalsContact O-N 3.09Å
751	V	90.6	Very high	92	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-56.3	-40.5	176.5	-177.1	0	0	0	0	110.5	Y463 L466 L486 F489 Y694 A747 H748 F753	Y463-V751 HydrophobicContact CD2-CG1 4.3Å; L466-V751 HydrophobicContact CD1-CG1 4.15Å; L486-V751 HydrophobicContact CD2-CG2 3.98Å; F489-V751 HydrophobicContact CD2-CG2 3.63Å; F489-V751 HydrophobicContact CE2-CB 4.37Å; F489-V751 HydrophobicContact CE2-CG1 4.35Å; F489-V751 HydrophobicContact CE2-CG2 3.68Å; F489-V751 HydrophobicContact CG-CG2 4.42Å; F489-V751 HydrophobicContact CZ-CG2 4.49Å; Y694-V751 WeakPolarHBondContact CE1-O 3.13Å; Y694-V751 PolarHBondContact OH-O 3.43Å; A747-V751 WeakPolarHBondContact O-CG2 3.38Å; A747-V751 PolarHBondContact O-N 2.94Å; A747-V751 VanDerWaalsContact O-N 3.15Å; H748-V751 WeakPolarHBondContact O-CB 2.91Å; H748-V751 PolarHBondContact O-N 2.93Å; V751-F753 VanDerWaalsContact C-N 3.28Å; V751-F753 PolarHBondContact O-N 2.74Å
752	R	88.8	Confident	92.1	Very high	65 Å²	65	34.8 Å²	34.8	25%	0.245	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	7.9	-178.2	-54.6	-170.6	-63.9	125.9	-3.7	114.1	H748 A749 K750 S754 E758 D761	H748-R752 PolarHBondContact O-N 3.4Å; A749-R752 PolarHBondContact O-N 2.84Å; K750-R752 PolarHBondContact O-N 2.85Å; R752-S754 PolarHBondContact O-N 3.48Å; R752-E758 IonicContact CZ-OE2 3.96Å; R752-E758 VanDerWaalsContact CZ-OE2 3.25Å; R752-E758 IonicContact NH1-OE2 2.71Å; R752-E758 PolarHBondContact NH1-OE2 3.46Å; R752-E758 IonicContact NH2-OE2 3.83Å; R752-E758 PolarHBondContact NH2-OE2 3.4Å; R752-D761 IonicContact CZ-OD1 2.83Å; R752-D761 VanDerWaalsContact CZ-OD1 3.31Å; R752-D761 IonicContact NE-OD1 2.78Å; R752-D761 PolarHBondContact NE-OD1 2.75Å; R752-D761 IonicContact NH2-OD1 3.25Å; R752-D761 PolarHBondContact NH2-OD1 3.31Å; R752-D761 IonicContact NH2-OD2 2.72Å; R752-D761 PolarHBondContact NH2-OD2 2.97Å
753	F	90.8	Very high	92.1	Very high	35 Å²	35	38.7 Å²	38.7	15%	0.154	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	27.7	-171.3	-66.9	-0.2	0	0	0	114.5	L453 A457 Y694 Y697 A698 I702 A749 K750 V751	L453-F753 HydrophobicContact CB-CE2 4.22Å; L453-F753 HydrophobicContact CB-CZ 4.44Å; A457-F753 HydrophobicContact CB-CB 4.11Å; A457-F753 HydrophobicContact CB-CD1 4.37Å; A457-F753 HydrophobicContact CB-CD2 3.37Å; A457-F753 HydrophobicContact CB-CE2 3.8Å; A457-F753 HydrophobicContact CB-CG 3.69Å; A457-F753 HydrophobicContact CB-CZ 4.47Å; Y694-F753 AromaticContact CD1-CE1 3.83Å; Y694-F753 HydrophobicContact CD1-CE1 3.83Å; Y694-F753 HydrophobicContact CD1-CZ 4.1Å; Y694-F753 HydrophobicContact CD2-CE1 4.17Å; Y694-F753 HydrophobicContact CD2-CE2 4.46Å; Y694-F753 AromaticContact CD2-CZ 3.65Å; Y694-F753 HydrophobicContact CD2-CZ 3.65Å; Y694-F753 HydrophobicContact CE1-CD1 4.12Å; Y694-F753 AromaticContact CE1-CE1 3.34Å; Y694-F753 HydrophobicContact CE1-CE1 3.34Å; Y694-F753 AromaticContact CE1-CZ 3.86Å; Y694-F753 HydrophobicContact CE1-CZ 3.86Å; Y694-F753 AromaticContact CE2-CE1 3.73Å; Y694-F753 HydrophobicContact CE2-CE1 3.73Å; Y694-F753 AromaticContact CE2-CE2 3.96Å; Y694-F753 HydrophobicContact CE2-CE2 3.96Å; Y694-F753 AromaticContact CE2-CZ 3.37Å; Y694-F753 HydrophobicContact CE2-CZ 3.37Å; Y694-F753 HydrophobicContact CG-CE1 4.21Å; Y694-F753 AromaticContact CG-CZ 4Å; Y694-F753 HydrophobicContact CG-CZ 4Å; Y694-F753 AromaticContact CZ-CD1 3.91Å; Y694-F753 AromaticContact CZ-CE1 3.28Å; Y694-F753 AromaticContact CZ-CZ 3.48Å; Y694-F753 VanDerWaalsContact CZ-CZ 3.48Å; Y697-F753 HydrophobicContact CD1-CD2 4.49Å; Y697-F753 HydrophobicContact CD1-CE1 4.21Å; Y697-F753 AromaticContact CD1-CE2 3.8Å; Y697-F753 HydrophobicContact CD1-CE2 3.8Å; Y697-F753 AromaticContact CD1-CZ 3.63Å; Y697-F753 HydrophobicContact CD1-CZ 3.63Å; Y697-F753 HydrophobicContact CE1-CD2 4.18Å; Y697-F753 AromaticContact CE1-CE2 3.82Å; Y697-F753 HydrophobicContact CE1-CE2 3.82Å; Y697-F753 HydrophobicContact CE1-CZ 4.12Å; A698-F753 HydrophobicContact CB-CD1 4.39Å; A698-F753 HydrophobicContact CB-CE1 3.89Å; I702-F753 HydrophobicContact CD1-CB 3.52Å; I702-F753 HydrophobicContact CD1-CD1 3.24Å; I702-F753 HydrophobicContact CD1-CD2 4.14Å; I702-F753 HydrophobicContact CD1-CE1 3.95Å; I702-F753 HydrophobicContact CD1-CG 3.36Å; A749-F753 PolarHBondContact O-N 3.18Å; K750-F753 WeakPolarHBondContact O-CD1 3.38Å; K750-F753 PolarHBondContact O-N 2.82Å; K750-F753 VanDerWaalsContact O-N 3.09Å; V751-F753 VanDerWaalsContact C-N 3.28Å; V751-F753 PolarHBondContact O-N 2.74Å
754	S	89.9	Confident	92	Very high	24 Å²	24	39.3 Å²	39.3	17%	0.168	19%	0.187	C	C	.	.			trans	-84.1	131.8	179.9	-174.6	0	0	0	0	112.3	A749 R752 K756	A749-S754 PolarHBondContact O-N 3.42Å; R752-S754 PolarHBondContact O-N 3.48Å; S754-K756 PolarHBondContact O-N 3.36Å; S754-K756 PolarHBondContact OG-N 3.48Å; S754-K756 PolarHBondContact OG-O 3.41Å
755	E	89.9	Confident	91.9	Very high	152 Å²	152	39.5 Å²	39.5	71%	0.71	19%	0.188	S	C	*	.	S	Bend	trans	-75.7	-8.5	170.6	-63.1	-175.1	174.6	0	0	113.5	P704 R705	P704-E755 VanDerWaalsContact CA-O 3.32Å; P704-E755 WeakPolarHBondContact CA-O 3.46Å; R705-E755 PolarHBondContact N-O 3.3Å
756	K	92.5	Very high	91.8	Very high	141 Å²	141	41.2 Å²	41.2	61%	0.613	20%	0.195	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133	136.1	-178.1	-66.3	178.1	-175.4	171	0	111	R705 S754	R705-K756 WeakPolarHBondContact O-CA 3.5Å; S754-K756 PolarHBondContact O-N 3.36Å; S754-K756 PolarHBondContact OG-N 3.48Å; S754-K756 PolarHBondContact OG-O 3.41Å
757	V	94.4	Very high	91.7	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	123.6	172.5	-172.4	0	0	0	0	108.8	P704 R705 L706 S707 A710 A745 E746 A749 D761 V762	P704-V757 HydrophobicContact CB-CG2 4.03Å; R705-V757 PolarHBondContact O-N 2.78Å; L706-V757 HydrophobicContact CD1-CG2 4.41Å; L706-V757 HydrophobicContact CG-CG2 4.38Å; S707-V757 WeakPolarHBondContact CB-O 3.37Å; S707-V757 PolarHBondContact OG-O 3.22Å; A710-V757 HydrophobicContact CB-CB 4.47Å; A710-V757 HydrophobicContact CB-CG1 4.16Å; A745-V757 HydrophobicContact CB-CG1 3.84Å; E746-V757 HydrophobicContact CG-CG2 4.06Å; A749-V757 HydrophobicContact CB-CG2 4.19Å; V757-D761 HydrophobicContact CG1-CB 3.88Å; V757-V762 HydrophobicContact CG1-CG2 4.4Å
758	E	92.8	Very high	91.6	Very high	85 Å²	85	46.5 Å²	46.5	40%	0.397	22%	0.215	S	C	.	.			trans	-98.5	168.8	178.1	-62.9	178.9	139.8	0	0	110.8	R752 I760 D761	R752-E758 IonicContact CZ-OE2 3.96Å; R752-E758 VanDerWaalsContact CZ-OE2 3.25Å; R752-E758 IonicContact NH1-OE2 2.71Å; R752-E758 PolarHBondContact NH1-OE2 3.46Å; R752-E758 IonicContact NH2-OE2 3.83Å; R752-E758 PolarHBondContact NH2-OE2 3.4Å; E758-I760 VanDerWaalsContact C-N 3.26Å; E758-I760 HydrophobicContact CB-CG1 3.98Å; E758-I760 PolarHBondContact O-N 3.08Å; E758-D761 PolarHBondContact N-OD2 2.95Å; E758-D761 PolarHBondContact O-N 3.07Å
759	T	93.1	Very high	91.3	Very high	50 Å²	50	46.3 Å²	46.3	31%	0.307	21%	0.214	S	C	.	.	H	α-helix	trans	-60.7	-35.4	176.6	48.7	0	0	0	0	112.4	E709 D761 V762 E763	E709-T759 HydrophobicContact CB-CG2 4Å; T759-D761 VanDerWaalsContact C-N 3.3Å; T759-D761 PolarHBondContact O-N 3.12Å; T759-V762 WeakPolarHBondContact O-CB 3.36Å; T759-V762 PolarHBondContact O-N 2.97Å; T759-V762 VanDerWaalsContact O-N 3.1Å; T759-E763 PolarHBondContact O-N 3.08Å
760	I	91.8	Very high	90.8	Very high	84 Å²	84	50.1 Å²	50.1	43%	0.431	23%	0.228	S	C	.	.	H	α-helix	trans	-64.1	-31	178.3	57.8	167.5	0	0	0	113.4	E758 V762 E763 E764	E758-I760 VanDerWaalsContact C-N 3.26Å; E758-I760 HydrophobicContact CB-CG1 3.98Å; E758-I760 PolarHBondContact O-N 3.08Å; I760-V762 VanDerWaalsContact C-N 3.3Å; I760-V762 PolarHBondContact O-N 3.35Å; I760-E763 PolarHBondContact O-N 3.49Å; I760-E764 PolarHBondContact O-N 3.42Å
761	D	93.5	Very high	90.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-67.6	-35.8	174.7	-56.9	-51.2	0	0	0	111.1	A745 H748 R752 V757 E758 T759 A765	A745-D761 HydrophobicContact CB-CB 4.21Å; H748-D761 HydrophobicContact CB-CB 4.44Å; H748-D761 IonicContact CE1-OD1 2.9Å; H748-D761 IonicContact CG-OD1 3.92Å; H748-D761 IonicContact ND1-OD1 3.71Å; H748-D761 PolarHBondContact ND1-OD1 3.17Å; R752-D761 IonicContact CZ-OD1 2.83Å; R752-D761 VanDerWaalsContact CZ-OD1 3.31Å; R752-D761 IonicContact NE-OD1 2.78Å; R752-D761 PolarHBondContact NE-OD1 2.75Å; R752-D761 IonicContact NH2-OD1 3.25Å; R752-D761 PolarHBondContact NH2-OD1 3.31Å; R752-D761 IonicContact NH2-OD2 2.72Å; R752-D761 PolarHBondContact NH2-OD2 2.97Å; V757-D761 HydrophobicContact CG1-CB 3.88Å; E758-D761 PolarHBondContact N-OD2 2.95Å; E758-D761 PolarHBondContact O-N 3.07Å; T759-D761 VanDerWaalsContact C-N 3.3Å; T759-D761 PolarHBondContact O-N 3.12Å; D761-A765 VanDerWaalsContact O-CB 3.24Å; D761-A765 WeakPolarHBondContact O-CB 3.33Å; D761-A765 PolarHBondContact O-N 2.87Å
762	V	93.8	Very high	89.8	Confident	4 Å²	4	52.6 Å²	52.6	2%	0.024	24%	0.24	C	C	.	.	H	α-helix	trans	-71.9	-38.4	177	179.2	0	0	0	0	111	A710 A713 L714 A745 V757 T759 I760 K766	A710-V762 HydrophobicContact CB-CG2 3.88Å; A713-V762 HydrophobicContact CB-CB 4.46Å; A713-V762 HydrophobicContact CB-CG1 4.04Å; L714-V762 HydrophobicContact CB-CG1 4.49Å; L714-V762 HydrophobicContact CD1-CG2 4.19Å; L714-V762 HydrophobicContact CD2-CG1 3.74Å; L714-V762 HydrophobicContact CD2-CG2 4.15Å; L714-V762 HydrophobicContact CG-CB 4.43Å; L714-V762 HydrophobicContact CG-CG1 3.74Å; L714-V762 HydrophobicContact CG-CG2 3.77Å; A745-V762 HydrophobicContact CB-CG2 4.22Å; V757-V762 HydrophobicContact CG1-CG2 4.4Å; T759-V762 WeakPolarHBondContact O-CB 3.36Å; T759-V762 PolarHBondContact O-N 2.97Å; T759-V762 VanDerWaalsContact O-N 3.1Å; I760-V762 VanDerWaalsContact C-N 3.3Å; I760-V762 PolarHBondContact O-N 3.35Å; V762-K766 WeakPolarHBondContact O-CB 3.42Å; V762-K766 PolarHBondContact O-N 3.31Å
763	E	92.1	Very high	89.1	Confident	127 Å²	127	50.4 Å²	50.4	59%	0.593	23%	0.234	S	C	*	.	H	α-helix	trans	-66.7	-45.5	177.4	-72.4	-177.5	-176.9	0	0	112.3	T759 I760 K766 R767	T759-E763 PolarHBondContact O-N 3.08Å; I760-E763 PolarHBondContact O-N 3.49Å; E763-K766 WeakPolarHBondContact O-CB 3.33Å; E763-K766 PolarHBondContact O-N 3.48Å; E763-R767 WeakPolarHBondContact O-CB 3.35Å; E763-R767 PolarHBondContact O-N 3.05Å
764	E	90.8	Very high	88.1	Confident	30 Å²	30	50.3 Å²	50.3	14%	0.14	23%	0.233	C	C	.	.	H	α-helix	trans	-68.4	-38.7	176.4	-174.4	60.5	-162.3	0	0	111.5	Y463 I760 K766 R767 L768	Y463-E764 HydrophobicContact CE1-CG 3.87Å; I760-E764 PolarHBondContact O-N 3.42Å; E764-K766 VanDerWaalsContact C-N 3.33Å; E764-K766 PolarHBondContact O-N 2.93Å; E764-R767 WeakPolarHBondContact O-CB 3.48Å; E764-R767 PolarHBondContact O-N 2.99Å; E764-R767 IonicContact OE1-CZ 3.06Å; E764-R767 IonicContact OE1-NE 2.8Å; E764-R767 IonicContact OE1-NH1 3.76Å; E764-R767 PolarHBondContact OE1-NH1 3.18Å; E764-R767 WeakPolarHBondContact OE2-CD 3.46Å; E764-R767 IonicContact OE2-CZ 3.55Å; E764-R767 IonicContact OE2-NE 3.21Å; E764-R767 IonicContact OE2-NH1 3.83Å; E764-R767 PolarHBondContact OE2-NH1 3.13Å; E764-L768 WeakPolarHBondContact O-CB 3.39Å; E764-L768 PolarHBondContact O-N 3.25Å
765	A	91.8	Very high	86.4	Confident	3 Å²	3	51.3 Å²	51.3	3%	0.025	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-39.4	171.4	0	0	0	0	0	112.6	L741 L744 A745 D761 H769	L741-A765 HydrophobicContact CD2-CB 4.41Å; L744-A765 HydrophobicContact CB-CB 3.85Å; A745-A765 HydrophobicContact CB-CB 4.42Å; D761-A765 VanDerWaalsContact O-CB 3.24Å; D761-A765 WeakPolarHBondContact O-CB 3.33Å; D761-A765 PolarHBondContact O-N 2.87Å; A765-H769 WeakPolarHBondContact O-CB 3.37Å; A765-H769 PolarHBondContact O-N 3.33Å
766	K	90.3	Very high	84.5	Confident	38 Å²	38	48.1 Å²	48.1	17%	0.165	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-39.1	175.2	-177.4	-179.4	-169.3	172.9	0	111.5	A717 D720 M721 V762 E763 E764 R770	A717-K766 HydrophobicContact CB-CD 3.67Å; A717-K766 HydrophobicContact CB-CG 4.23Å; D720-K766 IonicContact OD2-NZ 2.81Å; D720-K766 PolarHBondContact OD2-NZ 3.08Å; M721-K766 HydrophobicContact CE-CB 4.41Å; M721-K766 HydrophobicContact CE-CG 3.87Å; V762-K766 WeakPolarHBondContact O-CB 3.42Å; V762-K766 PolarHBondContact O-N 3.31Å; E763-K766 WeakPolarHBondContact O-CB 3.33Å; E763-K766 PolarHBondContact O-N 3.48Å; E764-K766 VanDerWaalsContact C-N 3.33Å; E764-K766 PolarHBondContact O-N 2.93Å; K766-R770 WeakPolarHBondContact O-CD 3.13Å; K766-R770 VanDerWaalsContact O-CG 3.29Å; K766-R770 WeakPolarHBondContact O-CG 3.44Å; K766-R770 PolarHBondContact O-N 3.49Å
767	R	90.5	Very high	82.7	Confident	115 Å²	115	41.5 Å²	41.5	43%	0.434	20%	0.201	S	C	.	.	H	α-helix	trans	-62.9	-56.1	172.9	175.9	-154.6	171.4	174.1	-2.7	110.5	D479 E763 E764 H769 R770 E771	D479-R767 IonicContact OD1-NH2 2.71Å; E763-R767 WeakPolarHBondContact O-CB 3.35Å; E763-R767 PolarHBondContact O-N 3.05Å; E764-R767 WeakPolarHBondContact O-CB 3.48Å; E764-R767 PolarHBondContact O-N 2.99Å; E764-R767 IonicContact OE1-CZ 3.06Å; E764-R767 IonicContact OE1-NE 2.8Å; E764-R767 IonicContact OE1-NH1 3.76Å; E764-R767 PolarHBondContact OE1-NH1 3.18Å; E764-R767 WeakPolarHBondContact OE2-CD 3.46Å; E764-R767 IonicContact OE2-CZ 3.55Å; E764-R767 IonicContact OE2-NE 3.21Å; E764-R767 IonicContact OE2-NH1 3.83Å; E764-R767 PolarHBondContact OE2-NH1 3.13Å; R767-H769 VanDerWaalsContact C-N 3.3Å; R767-H769 PolarHBondContact O-N 2.88Å; R767-R770 WeakPolarHBondContact O-CB 3.15Å; R767-R770 PolarHBondContact O-N 3.01Å; R767-E771 PolarHBondContact O-N 2.85Å
768	L	89.9	Confident	81.1	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-58.4	-41.3	-176.3	-171.8	67.7	0	0	0	112	D479 L486 L650 F652 E764 E771 A772	D479-L768 HydrophobicContact CB-CD1 4.22Å; D479-L768 WeakPolarHBondContact O-CD1 3.43Å; L486-L768 HydrophobicContact CD1-CD2 3.59Å; L650-L768 HydrophobicContact CD1-CD2 3.84Å; L650-L768 HydrophobicContact CD1-CG 4.29Å; L650-L768 HydrophobicContact CD2-CG 4.45Å; F652-L768 HydrophobicContact CE1-CD1 4.11Å; F652-L768 HydrophobicContact CZ-CD1 4.09Å; F652-L768 HydrophobicContact CZ-CG 4.44Å; E764-L768 WeakPolarHBondContact O-CB 3.39Å; E764-L768 PolarHBondContact O-N 3.25Å; L768-E771 PolarHBondContact O-N 2.97Å; L768-A772 VanDerWaalsContact O-CB 3.27Å; L768-A772 WeakPolarHBondContact O-CB 3.4Å; L768-A772 PolarHBondContact O-N 2.86Å
769	H	86.9	Confident	79.6	Confident	9 Å²	9	39.2 Å²	39.2	4%	0.042	19%	0.192	C	C	.	.	H	α-helix	trans	-65.3	-38.1	176.1	-174.3	79.8	0	0	0	113.2	D649 L650 L741 A765 R767	D649-H769 PolarHBondContact O-ND1 2.98Å; L650-H769 HydrophobicContact CD2-CB 4.34Å; L741-H769 HydrophobicContact CD2-CB 4.21Å; A765-H769 WeakPolarHBondContact O-CB 3.37Å; A765-H769 PolarHBondContact O-N 3.33Å; R767-H769 VanDerWaalsContact C-N 3.3Å; R767-H769 PolarHBondContact O-N 2.88Å
770	R	83.1	Confident	78	Confident	80 Å²	80	41 Å²	41	30%	0.302	20%	0.204	S	C	.	.	H	α-helix	trans	-68.5	-41.3	176.2	-77.3	171.2	168.4	178	-5.9	112.2	K766 R767 K774 Q775	K766-R770 WeakPolarHBondContact O-CD 3.13Å; K766-R770 VanDerWaalsContact O-CG 3.29Å; K766-R770 WeakPolarHBondContact O-CG 3.44Å; K766-R770 PolarHBondContact O-N 3.49Å; R767-R770 WeakPolarHBondContact O-CB 3.15Å; R767-R770 PolarHBondContact O-N 3.01Å; R770-K774 PolarHBondContact O-N 2.95Å; R770-Q775 PolarHBondContact O-N 2.82Å; R770-Q775 VanDerWaalsContact O-N 3.08Å
771	E	81.5	Confident	76.4	Confident	58 Å²	58	47.8 Å²	47.8	27%	0.271	23%	0.225	S	C	.	.	H	α-helix	trans	-74.6	-38.4	-177.5	-166.8	51.6	-136.1	0	0	112.1	R767 L768 L773 K774 S776	R767-E771 PolarHBondContact O-N 2.85Å; L768-E771 PolarHBondContact O-N 2.97Å; E771-L773 VanDerWaalsContact C-N 3.3Å; E771-L773 PolarHBondContact O-N 3.29Å; E771-K774 WeakPolarHBondContact O-CA 3.46Å; E771-K774 VanDerWaalsContact O-CG 3.29Å; E771-K774 WeakPolarHBondContact O-CG 3.24Å; E771-K774 PolarHBondContact O-N 2.9Å; E771-S776 PolarHBondContact OE2-OG 3.49Å
772	A	78.1	Confident	74.8	Confident	2 Å²	2	51 Å²	51	2%	0.017	24%	0.244	C	C	.	.	H	α-helix	trans	-54.2	-47.4	174.5	0	0	0	0	0	111.9	L650 I651 F652 L653 L768 K774	L650-A772 HydrophobicContact CD2-CB 4.25Å; I651-A772 CarbonylContact O-C 3.6Å; I651-A772 WeakPolarHBondContact O-CB 3.34Å; F652-A772 HydrophobicContact CD1-CB 3.6Å; F652-A772 HydrophobicContact CE1-CB 3.68Å; F652-A772 HydrophobicContact CG-CB 4.18Å; F652-A772 HydrophobicContact CZ-CB 4.32Å; L653-A772 PolarHBondContact N-O 3.24Å; L768-A772 VanDerWaalsContact O-CB 3.27Å; L768-A772 WeakPolarHBondContact O-CB 3.4Å; L768-A772 PolarHBondContact O-N 2.86Å; A772-K774 PolarHBondContact O-N 3.01Å
773	L	73.1	Confident	73.2	Confident	20 Å²	20	50.9 Å²	50.9	11%	0.105	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-2.3	175.8	-78.1	163.2	0	0	0	114	E771 Q775	E771-L773 VanDerWaalsContact C-N 3.3Å; E771-L773 PolarHBondContact O-N 3.29Å; L773-Q775 HydrophobicContact CB-CG 3.76Å; L773-Q775 PolarHBondContact O-N 3.44Å; L773-Q775 VanDerWaalsContact O-N 3.14Å
774	K	69.8	Low	71.9	Confident	32 Å²	32	48.8 Å²	48.8	14%	0.139	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.6	42.6	-172.9	-69.9	-175.6	168.5	166.5	0	113.1	L653 L655 R770 E771 A772 S776 A777 T778	L653-K774 HydrophobicContact CB-CD 4.31Å; L653-K774 VanDerWaalsContact O-CE 3.28Å; L653-K774 WeakPolarHBondContact O-CE 3.4Å; L653-K774 PolarHBondContact O-NZ 3.44Å; L655-K774 HydrophobicContact CD1-CD 4.46Å; R770-K774 PolarHBondContact O-N 2.95Å; E771-K774 WeakPolarHBondContact O-CA 3.46Å; E771-K774 VanDerWaalsContact O-CG 3.29Å; E771-K774 WeakPolarHBondContact O-CG 3.24Å; E771-K774 PolarHBondContact O-N 2.9Å; A772-K774 PolarHBondContact O-N 3.01Å; K774-S776 PolarHBondContact O-N 2.88Å; K774-S776 VanDerWaalsContact O-N 3.13Å; K774-A777 HydrophobicContact CB-CB 4.41Å; K774-A777 PolarHBondContact O-N 2.94Å; K774-T778 PolarHBondContact O-N 2.87Å
775	Q	55.8	Low	70.8	Confident	46 Å²	46	47.5 Å²	47.5	22%	0.215	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-60.8	-26	-179	-64	-178.1	2.7	0	0	112	R770 L773 A777 T778	R770-Q775 PolarHBondContact O-N 2.82Å; R770-Q775 VanDerWaalsContact O-N 3.08Å; L773-Q775 HydrophobicContact CB-CG 3.76Å; L773-Q775 PolarHBondContact O-N 3.44Å; L773-Q775 VanDerWaalsContact O-N 3.14Å; Q775-A777 PolarHBondContact O-N 2.79Å; Q775-T778 WeakPolarHBondContact CA-OG1 3.37Å; Q775-T778 PolarHBondContact O-N 2.82Å; Q775-T778 PolarHBondContact O-OG1 2.73Å
776	S	49.2	Very low	69.4	Low	84 Å²	84	49.4 Å²	49.4	59%	0.587	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-58.4	-29	170.5	-40.9	0	0	0	0	113.6	E771 K774	E771-S776 PolarHBondContact OE2-OG 3.49Å; K774-S776 PolarHBondContact O-N 2.88Å; K774-S776 VanDerWaalsContact O-N 3.13Å
777	A	53.6	Low	68.1	Low	2 Å²	2	50.4 Å²	50.4	2%	0.017	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-106.7	-3.7	-176.6	0	0	0	0	0	114.2	K774 Q775 V785 D786 I789	K774-A777 HydrophobicContact CB-CB 4.41Å; K774-A777 PolarHBondContact O-N 2.94Å; Q775-A777 PolarHBondContact O-N 2.79Å; A777-V785 HydrophobicContact CB-CG1 4.27Å; A777-D786 PolarHBondContact O-N 2.9Å; A777-D786 VanDerWaalsContact O-N 3.09Å; A777-I789 HydrophobicContact CB-CB 4.39Å; A777-I789 HydrophobicContact CB-CD1 4.19Å; A777-I789 HydrophobicContact CB-CG2 4.39Å
778	T	62.1	Low	66.6	Low	16 Å²	16	47.1 Å²	47.1	10%	0.098	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-90.5	123.5	172.3	52.4	0	0	0	0	111	K774 Q775 P780 F784 V785	K774-T778 PolarHBondContact O-N 2.87Å; Q775-T778 WeakPolarHBondContact CA-OG1 3.37Å; Q775-T778 PolarHBondContact O-N 2.82Å; Q775-T778 PolarHBondContact O-OG1 2.73Å; T778-P780 WeakPolarHBondContact O-CD 3.48Å; T778-F784 WeakPolarHBondContact CA-O 3.49Å; T778-V785 HydrophobicContact CG2-CG2 3.77Å
779	D	60.2	Low	65.2	Low	23 Å²	23	48.7 Å²	48.7	12%	0.123	25%	0.247	C	C	.	.			trans	-74	118	175	-162.5	-42.2	0	0	0	109.8	R781 T782 G783 F784 T797	D779-R781 PolarHBondContact O-N 3.35Å; D779-T782 PolarHBondContact O-N 2.98Å; D779-G783 PolarHBondContact O-N 3.44Å; D779-F784 PolarHBondContact N-O 2.75Å; D779-T797 VanDerWaalsContact OD2-CB 3.31Å; D779-T797 WeakPolarHBondContact OD2-CB 3.23Å; D779-T797 WeakPolarHBondContact OD2-CG2 3.43Å; D779-T797 PolarHBondContact OD2-OG1 2.79Å
780	P	59.6	Low	64	Low	86 Å²	86	51.7 Å²	51.7	56%	0.558	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-5.1	-167.6	25.3	-36.2	0	0	0	115.1	T778	T778-P780 WeakPolarHBondContact O-CD 3.48Å
781	R	58.3	Low	62.7	Low	228 Å²	228	51.1 Å²	51.1	86%	0.86	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-24.4	172	-81.9	-175.2	168.6	176.7	-3	114.7	D779	D779-R781 PolarHBondContact O-N 3.35Å
782	T	59.6	Low	61.7	Low	66 Å²	66	51.3 Å²	51.3	41%	0.405	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-22.7	-172.6	68	0	0	0	0	113	D779 F784	D779-T782 PolarHBondContact O-N 2.98Å; T782-F784 VanDerWaalsContact CB-CD2 3.48Å; T782-F784 HydrophobicContact CG2-CD2 4.4Å; T782-F784 PolarHBondContact O-N 3.07Å; T782-F784 PolarHBondContact OG1-N 3.2Å
783	G	61	Low	60.9	Low	3 Å²	3	54.3 Å²	54.3	3%	0.031	31%	0.305	C	S	.	.			trans	69.3	6.3	-176.2	0	0	0	0	0	114	D779	D779-G783 PolarHBondContact O-N 3.44Å
784	F	65.1	Low	60.4	Low	82 Å²	82	56 Å²	56	36%	0.36	31%	0.313	S	S	.	.			trans	-83.2	142.7	174.9	-57.9	-49	0	0	0	110.8	K631 T778 D779 T782	K631-F784 VanDerWaalsContact O-CE1 3.25Å; K631-F784 WeakPolarHBondContact O-CE1 3.35Å; T778-F784 WeakPolarHBondContact CA-O 3.49Å; D779-F784 PolarHBondContact N-O 2.75Å; T782-F784 VanDerWaalsContact CB-CD2 3.48Å; T782-F784 HydrophobicContact CG2-CD2 4.4Å; T782-F784 PolarHBondContact O-N 3.07Å; T782-F784 PolarHBondContact OG1-N 3.2Å
785	V	66.6	Low	60	Low	3 Å²	3	55.3 Å²	55.3	2%	0.018	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-89.6	108.3	173.6	-177.7	0	0	0	0	108.4	W628 L655 A777 T778 I787	W628-V785 HydrophobicContact CZ2-CG2 4.33Å; L655-V785 HydrophobicContact CD1-CG1 3.92Å; A777-V785 HydrophobicContact CB-CG1 4.27Å; T778-V785 HydrophobicContact CG2-CG2 3.77Å; V785-I787 PolarHBondContact O-N 2.8Å
786	D	62.7	Low	60.4	Low	44 Å²	44	55.2 Å²	55.2	24%	0.235	32%	0.319	C	S	.	.			trans	-81.1	96.6	176.5	-101.2	5.7	0	0	0	109.2	A777 S788 I789 A796	A777-D786 PolarHBondContact O-N 2.9Å; A777-D786 VanDerWaalsContact O-N 3.09Å; D786-S788 PolarHBondContact O-N 2.97Å; D786-S788 VanDerWaalsContact O-N 3.09Å; D786-I789 HydrophobicContact CB-CD1 3.6Å; D786-I789 HydrophobicContact CB-CG1 3.89Å; D786-I789 WeakPolarHBondContact O-CB 3.42Å; D786-I789 WeakPolarHBondContact O-CG1 3.32Å; D786-I789 PolarHBondContact O-N 2.88Å; D786-A796 WeakPolarHBondContact OD2-CB 3.34Å; D786-A796 PolarHBondContact OD2-N 3.05Å
787	I	62.9	Low	61.3	Low	58 Å²	58	53.5 Å²	53.5	30%	0.297	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-31.4	179.6	-61.2	165.2	0	0	0	111.6	P630 V785 I789 L790	P630-I787 HydrophobicContact CB-CD1 4.08Å; P630-I787 HydrophobicContact CG-CD1 4.14Å; V785-I787 PolarHBondContact O-N 2.8Å; I787-I789 PolarHBondContact O-N 3.29Å; I787-I789 VanDerWaalsContact O-N 3.15Å; I787-L790 WeakPolarHBondContact O-CB 3.37Å; I787-L790 PolarHBondContact O-N 2.81Å
788	S	58.4	Low	61.9	Low	47 Å²	47	55.1 Å²	55.1	33%	0.329	32%	0.318	S	S	.	.	H	α-helix	trans	-61.1	-19.8	177.4	55.3	0	0	0	0	114.8	D786 L790 T792	D786-S788 PolarHBondContact O-N 2.97Å; D786-S788 VanDerWaalsContact O-N 3.09Å; S788-L790 VanDerWaalsContact C-N 3.32Å; S788-T792 PolarHBondContact O-N 2.82Å; S788-T792 VanDerWaalsContact O-N 3.11Å; S788-T792 PolarHBondContact O-OG1 3.28Å
789	I	62.5	Low	62.3	Low	34 Å²	34	60 Å²	60	17%	0.174	34%	0.335	C	S	.	.	H	α-helix	trans	-64.6	-39.2	173	-65.1	167.3	0	0	0	110.6	A777 D786 I787 G793 S795	A777-I789 HydrophobicContact CB-CB 4.39Å; A777-I789 HydrophobicContact CB-CD1 4.19Å; A777-I789 HydrophobicContact CB-CG2 4.39Å; D786-I789 HydrophobicContact CB-CD1 3.6Å; D786-I789 HydrophobicContact CB-CG1 3.89Å; D786-I789 WeakPolarHBondContact O-CB 3.42Å; D786-I789 WeakPolarHBondContact O-CG1 3.32Å; D786-I789 PolarHBondContact O-N 2.88Å; I787-I789 PolarHBondContact O-N 3.29Å; I787-I789 VanDerWaalsContact O-N 3.15Å; I789-G793 VanDerWaalsContact O-CA 3.28Å; I789-G793 WeakPolarHBondContact O-CA 3.37Å; I789-G793 PolarHBondContact O-N 2.9Å; I789-S795 VanDerWaalsContact CD1-CB 3.44Å; I789-S795 VanDerWaalsContact CG1-CA 3.42Å
790	L	60.3	Low	63.1	Low	71 Å²	71	65.1 Å²	65.1	37%	0.372	36%	0.356	S	S	.	.	H	α-helix	trans	-68.7	-48	-176.7	-62.1	168.8	0	0	0	111	L655 I787 S788	L655-L790 HydrophobicContact CD1-CD1 4.38Å; I787-L790 WeakPolarHBondContact O-CB 3.37Å; I787-L790 PolarHBondContact O-N 2.81Å; S788-L790 VanDerWaalsContact C-N 3.32Å
791	T	57.4	Low	63.9	Low	68 Å²	68	67.7 Å²	67.7	42%	0.417	36%	0.355	S	S	.	.	H	α-helix	trans	-73.1	-31.1	-179	-51.5	0	0	0	0	113.5	D659	D659-T791 VanDerWaalsContact OD1-CG2 3.27Å; D659-T791 WeakPolarHBondContact OD1-CG2 3.5Å; D659-T791 WeakPolarHBondContact OD2-CB 3.48Å; D659-T791 WeakPolarHBondContact OD2-CG2 3.46Å; D659-T791 PolarHBondContact OD2-OG1 3Å
792	T	59.8	Low	64.7	Low	62 Å²	62	59.2 Å²	59.2	38%	0.38	32%	0.324	S	S	.	.	H	α-helix	trans	-126.5	2.6	-167.2	73.4	0	0	0	0	116	S788 M794 R799	S788-T792 PolarHBondContact O-N 2.82Å; S788-T792 VanDerWaalsContact O-N 3.11Å; S788-T792 PolarHBondContact O-OG1 3.28Å; T792-M794 PolarHBondContact O-N 2.69Å; T792-M794 PolarHBondContact OG1-O 2.64Å; T792-R799 PolarHBondContact OG1-NH2 3.34Å
793	G	60.2	Low	65.7	Low	66 Å²	66	61.6 Å²	61.6	68%	0.68	33%	0.331	S	S	*	.	S	Bend	trans	66	-2.3	177.9	0	0	0	0	0	115.9	I789	I789-G793 VanDerWaalsContact O-CA 3.28Å; I789-G793 WeakPolarHBondContact O-CA 3.37Å; I789-G793 PolarHBondContact O-N 2.9Å
794	M	62.9	Low	66.7	Low	54 Å²	54	67 Å²	67	27%	0.266	36%	0.355	S	S	.	.	S	Bend	trans	-135.3	119.1	-175.4	-67.7	-171.1	166.7	0	0	111.1	T792 R799 E846	T792-M794 PolarHBondContact O-N 2.69Å; T792-M794 PolarHBondContact OG1-O 2.64Å; M794-R799 HydrophobicContact CB-CG 4.06Å; M794-E846 WeakPolarHBondContact CE-OE1 3.11Å; M794-E846 WeakPolarHBondContact CE-OE2 3.49Å
795	S	62.6	Low	67.6	Low	19 Å²	19	64.4 Å²	64.4	13%	0.133	35%	0.346	C	S	.	.			trans	-64.7	160.3	177.7	78	0	0	0	0	112.8	I789 T797 A798 R799	I789-S795 VanDerWaalsContact CD1-CB 3.44Å; I789-S795 VanDerWaalsContact CG1-CA 3.42Å; S795-T797 PolarHBondContact O-N 2.83Å; S795-T797 PolarHBondContact OG-N 3.15Å; S795-T797 PolarHBondContact OG-OG1 3.37Å; S795-A798 PolarHBondContact O-N 3.46Å; S795-A798 VanDerWaalsContact O-N 3.1Å; S795-A798 VanDerWaalsContact OG-CB 3.3Å; S795-A798 WeakPolarHBondContact OG-CB 3.48Å; S795-A798 PolarHBondContact OG-N 3.07Å; S795-R799 WeakPolarHBondContact O-CG 3.4Å; S795-R799 PolarHBondContact O-N 2.88Å
796	A	64.3	Low	68.3	Low	44 Å²	44	64.8 Å²	64.8	36%	0.364	35%	0.349	S	S	.	.	H	α-helix	trans	-61.2	-32.6	174.6	0	0	0	0	0	111.6	D786 K800	D786-A796 WeakPolarHBondContact OD2-CB 3.34Å; D786-A796 PolarHBondContact OD2-N 3.05Å; A796-K800 WeakPolarHBondContact O-CB 3.29Å; A796-K800 WeakPolarHBondContact O-CG 3.48Å; A796-K800 PolarHBondContact O-N 3.16Å
797	T	67.2	Low	69.2	Low	48 Å²	48	67.3 Å²	67.3	29%	0.294	36%	0.36	S	S	.	.	H	α-helix	trans	-74.4	-33.4	172.5	41.3	0	0	0	0	113.8	D779 S795 R801	D779-T797 VanDerWaalsContact OD2-CB 3.31Å; D779-T797 WeakPolarHBondContact OD2-CB 3.23Å; D779-T797 WeakPolarHBondContact OD2-CG2 3.43Å; D779-T797 PolarHBondContact OD2-OG1 2.79Å; S795-T797 PolarHBondContact O-N 2.83Å; S795-T797 PolarHBondContact OG-N 3.15Å; S795-T797 PolarHBondContact OG-OG1 3.37Å; T797-R801 WeakPolarHBondContact O-CB 3.44Å; T797-R801 WeakPolarHBondContact O-CG 3.06Å; T797-R801 PolarHBondContact O-N 3.5Å
798	A	66.3	Low	70.1	Confident	35 Å²	35	66.6 Å²	66.6	29%	0.289	36%	0.362	S	S	.	.	H	α-helix	trans	-70.5	-40.8	173.9	0	0	0	0	0	111.3	S795 R801 K802	S795-A798 PolarHBondContact O-N 3.46Å; S795-A798 VanDerWaalsContact O-N 3.1Å; S795-A798 VanDerWaalsContact OG-CB 3.3Å; S795-A798 WeakPolarHBondContact OG-CB 3.48Å; S795-A798 PolarHBondContact OG-N 3.07Å; A798-R801 PolarHBondContact O-N 3.41Å; A798-K802 WeakPolarHBondContact O-CB 3.44Å; A798-K802 PolarHBondContact O-N 3.4Å
799	R	71.4	Confident	71.2	Confident	120 Å²	120	64.5 Å²	64.5	45%	0.453	35%	0.347	S	S	.	.	H	α-helix	trans	-59.6	-48.7	170.7	-69.3	-180	-173.4	-155.6	1.2	111.2	T792 M794 S795 R801 K802 E803	T792-R799 PolarHBondContact OG1-NH2 3.34Å; M794-R799 HydrophobicContact CB-CG 4.06Å; S795-R799 WeakPolarHBondContact O-CG 3.4Å; S795-R799 PolarHBondContact O-N 2.88Å; R799-R801 PolarHBondContact O-N 3.38Å; R799-K802 WeakPolarHBondContact O-CB 3.44Å; R799-K802 PolarHBondContact O-N 2.93Å; R799-E803 WeakPolarHBondContact O-CB 3.03Å; R799-E803 PolarHBondContact O-N 3.14Å
800	K	76.3	Confident	72	Confident	129 Å²	129	66.4 Å²	66.4	56%	0.561	35%	0.354	S	S	*	.	H	α-helix	trans	-59.1	-44.7	174.1	-78.4	178.4	178.7	-179.3	0	112.5	A796 K802 E803 E804	A796-K800 WeakPolarHBondContact O-CB 3.29Å; A796-K800 WeakPolarHBondContact O-CG 3.48Å; A796-K800 PolarHBondContact O-N 3.16Å; K800-K802 PolarHBondContact O-N 3.49Å; K800-E803 PolarHBondContact O-N 3.29Å; K800-E804 WeakPolarHBondContact O-CB 3.2Å; K800-E804 VanDerWaalsContact O-CG 3.22Å; K800-E804 WeakPolarHBondContact O-CG 3.5Å; K800-E804 PolarHBondContact O-N 3.5Å
801	R	75.1	Confident	73	Confident	141 Å²	141	69.2 Å²	69.2	53%	0.532	36%	0.364	S	S	.	.	H	α-helix	trans	-63.1	-40.4	174.9	-76.3	-178.3	-164.5	164.8	10.5	112.5	T797 A798 R799 E803 E804 V805	T797-R801 WeakPolarHBondContact O-CB 3.44Å; T797-R801 WeakPolarHBondContact O-CG 3.06Å; T797-R801 PolarHBondContact O-N 3.5Å; A798-R801 PolarHBondContact O-N 3.41Å; R799-R801 PolarHBondContact O-N 3.38Å; R801-E803 VanDerWaalsContact C-N 3.31Å; R801-E804 PolarHBondContact O-N 3.2Å; R801-V805 VanDerWaalsContact O-CB 3.29Å; R801-V805 WeakPolarHBondContact O-CB 3.47Å; R801-V805 WeakPolarHBondContact O-CG2 3.38Å; R801-V805 PolarHBondContact O-N 3.26Å
802	K	76.9	Confident	74	Confident	49 Å²	49	66.4 Å²	66.4	21%	0.213	35%	0.346	C	S	.	.	H	α-helix	trans	-61.7	-42.3	174.9	175.5	175.3	170.6	176.6	0	110.6	A798 R799 K800 A806 E846	A798-K802 WeakPolarHBondContact O-CB 3.44Å; A798-K802 PolarHBondContact O-N 3.4Å; R799-K802 WeakPolarHBondContact O-CB 3.44Å; R799-K802 PolarHBondContact O-N 2.93Å; K800-K802 PolarHBondContact O-N 3.49Å; K802-A806 VanDerWaalsContact O-CB 3.23Å; K802-A806 WeakPolarHBondContact O-CB 3.3Å; K802-A806 PolarHBondContact O-N 3.14Å; K802-E846 HydrophobicContact CD-CB 4.39Å; K802-E846 WeakPolarHBondContact CE-O 3.49Å
803	E	80.5	Confident	74.8	Confident	117 Å²	117	63.6 Å²	63.6	55%	0.547	33%	0.329	S	S	.	.	H	α-helix	trans	-69.7	-42.3	177.3	-160.6	176.6	178.5	0	0	112.1	R799 K800 R801 A806 Q807	R799-E803 WeakPolarHBondContact O-CB 3.03Å; R799-E803 PolarHBondContact O-N 3.14Å; K800-E803 PolarHBondContact O-N 3.29Å; R801-E803 VanDerWaalsContact C-N 3.31Å; E803-A806 PolarHBondContact O-N 3.35Å; E803-Q807 WeakPolarHBondContact O-CB 3.21Å; E803-Q807 WeakPolarHBondContact O-CG 3.42Å; E803-Q807 PolarHBondContact O-N 3.15Å
804	E	82.2	Confident	75.5	Confident	117 Å²	117	65.5 Å²	65.5	55%	0.547	32%	0.32	S	S	.	.	H	α-helix	trans	-60.5	-45	172.1	-75.2	164.8	-168.5	0	0	111.7	K800 R801 Q807 A808	K800-E804 WeakPolarHBondContact O-CB 3.2Å; K800-E804 VanDerWaalsContact O-CG 3.22Å; K800-E804 WeakPolarHBondContact O-CG 3.5Å; K800-E804 PolarHBondContact O-N 3.5Å; R801-E804 PolarHBondContact O-N 3.2Å; E804-Q807 PolarHBondContact O-N 3.1Å; E804-A808 WeakPolarHBondContact O-CB 3.25Å; E804-A808 PolarHBondContact O-N 3.07Å
805	V	82.3	Confident	76.1	Confident	26 Å²	26	68.5 Å²	68.5	16%	0.158	34%	0.342	C	S	.	.	H	α-helix	trans	-67	-43	176.2	170.8	0	0	0	0	110.5	R801 Q807 A808 L809 L831 A847	R801-V805 VanDerWaalsContact O-CB 3.29Å; R801-V805 WeakPolarHBondContact O-CB 3.47Å; R801-V805 WeakPolarHBondContact O-CG2 3.38Å; R801-V805 PolarHBondContact O-N 3.26Å; V805-Q807 PolarHBondContact O-N 2.94Å; V805-A808 PolarHBondContact O-N 3.49Å; V805-L809 WeakPolarHBondContact O-CB 3.09Å; V805-L809 PolarHBondContact O-N 2.9Å; V805-L831 HydrophobicContact CG1-CD2 4.31Å; V805-A847 HydrophobicContact CB-CB 4.47Å; V805-A847 HydrophobicContact CG1-CB 3.79Å
806	A	81.5	Confident	76.5	Confident	11 Å²	11	71.5 Å²	71.5	9%	0.091	35%	0.352	C	S	.	.	H	α-helix	trans	-61.6	-42.1	174.6	0	0	0	0	0	111.8	K802 E803 L809 K810 A847 L851	K802-A806 VanDerWaalsContact O-CB 3.23Å; K802-A806 WeakPolarHBondContact O-CB 3.3Å; K802-A806 PolarHBondContact O-N 3.14Å; E803-A806 PolarHBondContact O-N 3.35Å; A806-L809 PolarHBondContact O-N 3.4Å; A806-K810 VanDerWaalsContact O-CB 3.29Å; A806-K810 WeakPolarHBondContact O-CB 3.25Å; A806-K810 PolarHBondContact O-N 3.29Å; A806-A847 HydrophobicContact CB-CB 4.31Å; A806-L851 HydrophobicContact CB-CD1 4.42Å; A806-L851 HydrophobicContact CB-CD2 4.37Å; A806-L851 HydrophobicContact CB-CG 4.19Å
807	Q	82.4	Confident	76.2	Confident	97 Å²	97	71.9 Å²	71.9	45%	0.453	36%	0.361	S	S	.	.	H	α-helix	trans	-66.1	-38.6	174.6	-72.9	176.2	26	0	0	112.6	E803 E804 V805 K811	E803-Q807 WeakPolarHBondContact O-CB 3.21Å; E803-Q807 WeakPolarHBondContact O-CG 3.42Å; E803-Q807 PolarHBondContact O-N 3.15Å; E804-Q807 PolarHBondContact O-N 3.1Å; V805-Q807 PolarHBondContact O-N 2.94Å; Q807-K811 WeakPolarHBondContact O-CG 3.44Å; Q807-K811 PolarHBondContact O-N 3.3Å
808	A	81.4	Confident	75.7	Confident	43 Å²	43	79.4 Å²	79.4	36%	0.355	39%	0.389	S	S	.	.	H	α-helix	trans	-66.5	-43.7	174.8	0	0	0	0	0	111.6	E804 V805 K811 L812	E804-A808 WeakPolarHBondContact O-CB 3.25Å; E804-A808 PolarHBondContact O-N 3.07Å; V805-A808 PolarHBondContact O-N 3.49Å; A808-K811 PolarHBondContact O-N 3.27Å; A808-L812 WeakPolarHBondContact O-CB 3.29Å; A808-L812 PolarHBondContact O-N 3.25Å
809	L	81	Confident	75.4	Confident	3 Å²	3	81.3 Å²	81.3	2%	0.016	40%	0.397	C	S	.	.	H	α-helix	trans	-63.4	-41.6	176.8	-156.5	168.8	0	0	0	110.4	V805 A806 L812 I813 L831 F844 A847 L848 L851	V805-L809 WeakPolarHBondContact O-CB 3.09Å; V805-L809 PolarHBondContact O-N 2.9Å; A806-L809 PolarHBondContact O-N 3.4Å; L809-L812 WeakPolarHBondContact O-CB 3.24Å; L809-L812 PolarHBondContact O-N 2.91Å; L809-I813 HydrophobicContact CD2-CD1 3.39Å; L809-I813 HydrophobicContact CD2-CG1 4.08Å; L809-I813 WeakPolarHBondContact O-CG1 3.32Å; L809-I813 PolarHBondContact O-N 3.31Å; L809-L831 HydrophobicContact CB-CD1 4.45Å; L809-F844 HydrophobicContact CD1-CD2 3.75Å; L809-F844 HydrophobicContact CD1-CE2 3.55Å; L809-F844 HydrophobicContact CD1-CZ 4.48Å; L809-F844 HydrophobicContact CG-CE2 4.21Å; L809-A847 HydrophobicContact CD1-CB 4.27Å; L809-L848 HydrophobicContact CD1-CD2 4.04Å; L809-L848 HydrophobicContact CD1-CG 4.15Å; L809-L848 HydrophobicContact CD2-CD2 4.03Å; L809-L851 HydrophobicContact CB-CD1 4.24Å; L809-L851 HydrophobicContact CD2-CD1 3.94Å; L809-L851 HydrophobicContact CG-CD1 4.45Å
810	K	80.6	Confident	74.9	Confident	74 Å²	74	80.5 Å²	80.5	32%	0.322	41%	0.408	S	S	.	.	H	α-helix	trans	-58.4	-50.3	172	-175.7	167.3	-175.4	167.3	0	112.3	A806 L812 I813 E814 L851 Y856	A806-K810 VanDerWaalsContact O-CB 3.29Å; A806-K810 WeakPolarHBondContact O-CB 3.25Å; A806-K810 PolarHBondContact O-N 3.29Å; K810-L812 VanDerWaalsContact C-N 3.29Å; K810-L812 PolarHBondContact O-N 2.89Å; K810-I813 PolarHBondContact O-N 3.1Å; K810-I813 VanDerWaalsContact O-N 3.09Å; K810-E814 WeakPolarHBondContact CE-OE1 3.41Å; K810-E814 WeakPolarHBondContact O-CG 3.4Å; K810-E814 PolarHBondContact O-N 3.1Å; K810-L851 HydrophobicContact CB-CD2 4.4Å; K810-Y856 HydrophobicContact CD-CE1 4.28Å; K810-Y856 HydrophobicContact CG-CD1 4.49Å; K810-Y856 HydrophobicContact CG-CE1 3.85Å
811	K	81.1	Confident	74.4	Confident	130 Å²	130	76.8 Å²	76.8	57%	0.565	40%	0.401	S	S	*	.	H	α-helix	trans	-59.5	-37	175.5	-71.5	168.9	-175.3	171.2	0	112.8	Q807 A808 T815	Q807-K811 WeakPolarHBondContact O-CG 3.44Å; Q807-K811 PolarHBondContact O-N 3.3Å; A808-K811 PolarHBondContact O-N 3.27Å; K811-T815 WeakPolarHBondContact O-CB 3.48Å; K811-T815 WeakPolarHBondContact O-CG2 3.34Å; K811-T815 PolarHBondContact O-N 2.71Å; K811-T815 PolarHBondContact O-OG1 2.96Å
812	L	77.9	Confident	74.2	Confident	9 Å²	9	71.6 Å²	71.6	5%	0.047	38%	0.383	C	S	.	.	H	α-helix	trans	-67.2	-33.8	175.4	-107.2	167	0	0	0	112.9	A808 L809 K810 T815 K816 L831	A808-L812 WeakPolarHBondContact O-CB 3.29Å; A808-L812 PolarHBondContact O-N 3.25Å; L809-L812 WeakPolarHBondContact O-CB 3.24Å; L809-L812 PolarHBondContact O-N 2.91Å; K810-L812 VanDerWaalsContact C-N 3.29Å; K810-L812 PolarHBondContact O-N 2.89Å; L812-T815 WeakPolarHBondContact CA-OG1 3.28Å; L812-T815 PolarHBondContact O-OG1 3.48Å; L812-K816 WeakPolarHBondContact O-CG 3.41Å; L812-K816 PolarHBondContact O-N 3.39Å; L812-L831 HydrophobicContact CD1-CB 4.32Å; L812-L831 HydrophobicContact CD1-CD1 3.61Å
813	I	76.2	Confident	74.1	Confident	4 Å²	4	75.6 Å²	75.6	2%	0.021	40%	0.401	C	S	.	.	H	α-helix	trans	-76	-44	175.7	-70.6	175.5	0	0	0	110.6	L809 K810 T815 K816 G817 L827 L857 L866	L809-I813 HydrophobicContact CD2-CD1 3.39Å; L809-I813 HydrophobicContact CD2-CG1 4.08Å; L809-I813 WeakPolarHBondContact O-CG1 3.32Å; L809-I813 PolarHBondContact O-N 3.31Å; K810-I813 PolarHBondContact O-N 3.1Å; K810-I813 VanDerWaalsContact O-N 3.09Å; I813-T815 PolarHBondContact O-N 3.24Å; I813-K816 CarbonylContact O-C 3.59Å; I813-K816 PolarHBondContact O-N 2.7Å; I813-K816 VanDerWaalsContact O-N 3.11Å; I813-G817 PolarHBondContact O-N 3.08Å; I813-G817 VanDerWaalsContact O-N 3.15Å; I813-L827 HydrophobicContact CG1-CD2 4.17Å; I813-L857 HydrophobicContact CD1-CD1 3.55Å; I813-L857 HydrophobicContact CD1-CD2 3.87Å; I813-L857 HydrophobicContact CD1-CG 4.37Å; I813-L857 HydrophobicContact CG2-CD2 4.48Å; I813-L866 HydrophobicContact CG2-CD1 3.79Å; I813-L866 HydrophobicContact CG2-CD2 3.76Å; I813-L866 HydrophobicContact CG2-CG 3.98Å
814	E	76.3	Confident	74.1	Confident	106 Å²	106	72 Å²	72	50%	0.495	38%	0.383	S	S	.	.	H	α-helix	trans	-58.6	-47.1	176.1	-72.8	172.5	177.1	0	0	111.9	K810 K816 G817 Y856	K810-E814 WeakPolarHBondContact CE-OE1 3.41Å; K810-E814 WeakPolarHBondContact O-CG 3.4Å; K810-E814 PolarHBondContact O-N 3.1Å; E814-K816 PolarHBondContact O-N 3.06Å; E814-G817 PolarHBondContact O-N 3.48Å; E814-G817 VanDerWaalsContact O-N 3.15Å; E814-Y856 WeakPolarHBondContact CG-OH 3.27Å; E814-Y856 PolarHBondContact OE1-OH 3.23Å
815	T	75.6	Confident	73.9	Confident	117 Å²	117	73.8 Å²	73.8	72%	0.718	39%	0.391	S	S	*	.	H	α-helix	trans	-64.9	-20.4	176.9	44.9	0	0	0	0	114.1	K811 L812 I813	K811-T815 WeakPolarHBondContact O-CB 3.48Å; K811-T815 WeakPolarHBondContact O-CG2 3.34Å; K811-T815 PolarHBondContact O-N 2.71Å; K811-T815 PolarHBondContact O-OG1 2.96Å; L812-T815 WeakPolarHBondContact CA-OG1 3.28Å; L812-T815 PolarHBondContact O-OG1 3.48Å; I813-T815 PolarHBondContact O-N 3.24Å
816	K	70.6	Confident	73.6	Confident	81 Å²	81	77.8 Å²	77.8	35%	0.352	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	10.9	176.4	-67.7	-173	176	-160.4	0	113.9	L812 I813 E814 K818 M822 D830	L812-K816 WeakPolarHBondContact O-CG 3.41Å; L812-K816 PolarHBondContact O-N 3.39Å; I813-K816 CarbonylContact O-C 3.59Å; I813-K816 PolarHBondContact O-N 2.7Å; I813-K816 VanDerWaalsContact O-N 3.11Å; E814-K816 PolarHBondContact O-N 3.06Å; K816-K818 VanDerWaalsContact C-N 3.26Å; K816-K818 PolarHBondContact O-N 2.88Å; K816-M822 HydrophobicContact CB-CE 3.66Å; K816-M822 WeakPolarHBondContact O-CE 3.42Å; K816-D830 IonicContact NZ-OD1 2.58Å; K816-D830 IonicContact NZ-OD2 2.77Å; K816-D830 PolarHBondContact NZ-OD2 2.85Å
817	G	56.6	Low	73.4	Confident	53 Å²	53	77.7 Å²	77.7	55%	0.546	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	51	-167.2	0	0	0	0	0	118.4	I813 E814	I813-G817 PolarHBondContact O-N 3.08Å; I813-G817 VanDerWaalsContact O-N 3.15Å; E814-G817 PolarHBondContact O-N 3.48Å; E814-G817 VanDerWaalsContact O-N 3.15Å
818	K	57.5	Low	73.3	Confident	205 Å²	205	74 Å²	74	89%	0.891	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	-2.5	173.3	-72	-172.4	178	179.4	0	115	K816	K816-K818 VanDerWaalsContact C-N 3.26Å; K816-K818 PolarHBondContact O-N 2.88Å
819	T	59.3	Low	73.2	Confident	75 Å²	75	76.7 Å²	76.7	46%	0.46	40%	0.397	S	S	.	.			trans	-131.9	123.5	176.2	50.5	0	0	0	0	111.2	A821 M822	T819-A821 PolarHBondContact O-N 3.33Å; T819-M822 WeakPolarHBondContact OG1-CE 3.4Å
820	P	61.3	Low	73	Confident	103 Å²	103	79.5 Å²	79.5	67%	0.669	41%	0.412	S	S	*	.	S	Bend	trans	-76.2	-1.9	-172.2	30.6	-36.9	0	0	0	115.1	R865 L866	P820-R865 WeakPolarHBondContact O-CA 3.43Å; P820-L866 PolarHBondContact O-N 3.38Å
821	A	65.9	Low	72.8	Confident	52 Å²	52	76.3 Å²	76.3	43%	0.43	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	121.7	176.9	0	0	0	0	0	110.9	T819 R865	T819-A821 PolarHBondContact O-N 3.33Å; A821-R865 HydrophobicContact CB-CG 4.34Å
822	M	70.9	Confident	72.8	Confident	31 Å²	31	75.9 Å²	75.9	15%	0.153	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	145.8	179.1	-66.1	-70.4	-178.7	0	0	110.6	K816 T819 L827 T863 V864	K816-M822 HydrophobicContact CB-CE 3.66Å; K816-M822 WeakPolarHBondContact O-CE 3.42Å; T819-M822 WeakPolarHBondContact OG1-CE 3.4Å; M822-L827 HydrophobicContact CB-CD1 3.64Å; M822-L827 HydrophobicContact CB-CG 4.15Å; M822-L827 HydrophobicContact CG-CD1 4.43Å; M822-T863 WeakPolarHBondContact O-CA 3.41Å; M822-V864 PolarHBondContact N-O 3.37Å; M822-V864 PolarHBondContact O-N 3.19Å
823	K	75.5	Confident	72.6	Confident	134 Å²	134	78.7 Å²	78.7	58%	0.583	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	129.3	174.8	-68.6	-178.6	179.8	176.4	0	110.9	Q825 Q826 L827	K823-Q825 VanDerWaalsContact C-N 3.33Å; K823-Q825 PolarHBondContact O-N 3.46Å; K823-Q826 HydrophobicContact CB-CB 4.44Å; K823-Q826 HydrophobicContact CB-CG 4.31Å; K823-Q826 PolarHBondContact O-N 2.84Å; K823-L827 PolarHBondContact O-N 3.03Å
824	Y	79.3	Confident	72.4	Confident	42 Å²	42	85.3 Å²	85.3	17%	0.165	46%	0.455	C	S	.	.	H	α-helix	trans	-49	-47.5	179.8	175.7	-86.8	0	0	0	113.7	Q826 L827 L828 K841 F844 D845 L848 K862	Y824-Q826 VanDerWaalsContact C-N 3.32Å; Y824-Q826 PolarHBondContact O-N 3.16Å; Y824-L827 PolarHBondContact O-N 3.18Å; Y824-L828 PolarHBondContact O-N 3.03Å; Y824-L828 VanDerWaalsContact O-N 3.11Å; Y824-K841 WeakPolarHBondContact OH-CE 3.34Å; Y824-F844 AromaticContact CD2-CE1 3.97Å; Y824-F844 HydrophobicContact CD2-CE1 3.97Å; Y824-F844 AromaticContact CE2-CD1 3.98Å; Y824-F844 HydrophobicContact CE2-CD1 3.98Å; Y824-F844 AromaticContact CE2-CE1 3.64Å; Y824-F844 HydrophobicContact CE2-CE1 3.64Å; Y824-F844 AromaticContact CZ-CE1 4Å; Y824-D845 WeakPolarHBondContact CE2-OD1 3.43Å; Y824-D845 VanDerWaalsContact CZ-OD1 3.26Å; Y824-D845 VanDerWaalsContact OH-CG 3.31Å; Y824-D845 PolarHBondContact OH-OD1 3.36Å; Y824-D845 PolarHBondContact OH-OD2 3.38Å; Y824-L848 HydrophobicContact CD2-CD1 4.19Å; Y824-L848 HydrophobicContact CE2-CD1 4.08Å; Y824-K862 WeakPolarHBondContact CB-O 3.47Å; Y824-K862 PolarHBondContact N-O 3.14Å
825	Q	77.9	Confident	72	Confident	153 Å²	153	81.8 Å²	81.8	72%	0.715	44%	0.442	S	S	*	.	H	α-helix	trans	-67.5	-28.3	-178.7	-71.8	179.4	-35.6	0	0	114	K823 N829	K823-Q825 VanDerWaalsContact C-N 3.33Å; K823-Q825 PolarHBondContact O-N 3.46Å; Q825-N829 WeakPolarHBondContact O-CB 3.4Å; Q825-N829 VanDerWaalsContact O-CG 3.28Å; Q825-N829 PolarHBondContact O-N 3.4Å; Q825-N829 PolarHBondContact O-ND2 3.03Å
826	Q	77.7	Confident	71.1	Confident	111 Å²	111	86.1 Å²	86.1	52%	0.519	45%	0.454	S	S	.	.	H	α-helix	trans	-75.2	-46.9	178.2	-71.2	177.3	-43.9	0	0	109.9	K823 Y824 L828 N829 D830	K823-Q826 HydrophobicContact CB-CB 4.44Å; K823-Q826 HydrophobicContact CB-CG 4.31Å; K823-Q826 PolarHBondContact O-N 2.84Å; Y824-Q826 VanDerWaalsContact C-N 3.32Å; Y824-Q826 PolarHBondContact O-N 3.16Å; Q826-L828 VanDerWaalsContact C-N 3.33Å; Q826-L828 PolarHBondContact O-N 3.1Å; Q826-N829 PolarHBondContact O-N 3.23Å; Q826-D830 WeakPolarHBondContact O-CB 3.38Å; Q826-D830 PolarHBondContact O-N 2.83Å; Q826-D830 VanDerWaalsContact O-OD2 3.11Å
827	L	77.5	Confident	70.7	Confident	8 Å²	8	87.4 Å²	87.4	4%	0.042	47%	0.469	C	S	.	.	H	α-helix	trans	-55.8	-44.7	174.2	-78.1	165.8	0	0	0	112.6	I813 M822 K823 Y824 D830 L831 F844 V864	I813-L827 HydrophobicContact CG1-CD2 4.17Å; M822-L827 HydrophobicContact CB-CD1 3.64Å; M822-L827 HydrophobicContact CB-CG 4.15Å; M822-L827 HydrophobicContact CG-CD1 4.43Å; K823-L827 PolarHBondContact O-N 3.03Å; Y824-L827 PolarHBondContact O-N 3.18Å; L827-D830 PolarHBondContact O-N 2.76Å; L827-L831 VanDerWaalsContact O-CB 3.28Å; L827-L831 WeakPolarHBondContact O-CB 3.3Å; L827-L831 PolarHBondContact O-N 2.97Å; L827-F844 HydrophobicContact CB-CE2 4.46Å; L827-F844 HydrophobicContact CB-CZ 3.9Å; L827-V864 HydrophobicContact CD1-CB 4.15Å; L827-V864 HydrophobicContact CD1-CG2 4.04Å
828	L	79.3	Confident	71.1	Confident	21 Å²	21	89.6 Å²	89.6	11%	0.11	48%	0.483	C	S	.	.	H	α-helix	trans	-65.3	-39.7	178.6	-178.9	130.2	0	0	0	112.7	Y824 Q826 R832 K841 F844	Y824-L828 PolarHBondContact O-N 3.03Å; Y824-L828 VanDerWaalsContact O-N 3.11Å; Q826-L828 VanDerWaalsContact C-N 3.33Å; Q826-L828 PolarHBondContact O-N 3.1Å; L828-R832 WeakPolarHBondContact O-CB 3.43Å; L828-R832 VanDerWaalsContact O-CG 3.31Å; L828-R832 WeakPolarHBondContact O-CG 3.47Å; L828-R832 PolarHBondContact O-N 3.19Å; L828-R832 VanDerWaalsContact O-N 3.13Å; L828-K841 HydrophobicContact CD1-CG 4.34Å; L828-F844 HydrophobicContact CB-CD1 4.31Å; L828-F844 HydrophobicContact CB-CE1 3.97Å; L828-F844 HydrophobicContact CB-CZ 4.09Å; L828-F844 HydrophobicContact CD1-CB 4.19Å; L828-F844 HydrophobicContact CD1-CD1 3.64Å; L828-F844 HydrophobicContact CD1-CE1 4.12Å; L828-F844 HydrophobicContact CD1-CG 3.95Å; L828-F844 HydrophobicContact CG-CD1 4.49Å
829	N	79.4	Confident	71.9	Confident	99 Å²	99	80.7 Å²	80.7	53%	0.529	44%	0.444	S	S	.	.	H	α-helix	trans	-71.9	-38.7	177.4	-74.1	-7.9	0	0	0	112.3	Q825 Q826 R832 G833	Q825-N829 WeakPolarHBondContact O-CB 3.4Å; Q825-N829 VanDerWaalsContact O-CG 3.28Å; Q825-N829 PolarHBondContact O-N 3.4Å; Q825-N829 PolarHBondContact O-ND2 3.03Å; Q826-N829 PolarHBondContact O-N 3.23Å; N829-R832 PolarHBondContact O-N 3Å; N829-G833 PolarHBondContact O-N 3.24Å
830	D	76.3	Confident	72.7	Confident	61 Å²	61	80.1 Å²	80.1	33%	0.326	44%	0.441	S	S	.	.	H	α-helix	trans	-67	-41.1	177.3	-67	-37.7	0	0	0	111.7	K816 Q826 L827 G833 Q834	K816-D830 IonicContact NZ-OD1 2.58Å; K816-D830 IonicContact NZ-OD2 2.77Å; K816-D830 PolarHBondContact NZ-OD2 2.85Å; Q826-D830 WeakPolarHBondContact O-CB 3.38Å; Q826-D830 PolarHBondContact O-N 2.83Å; Q826-D830 VanDerWaalsContact O-OD2 3.11Å; L827-D830 PolarHBondContact O-N 2.76Å; D830-G833 PolarHBondContact O-N 3.13Å; D830-Q834 PolarHBondContact O-N 3.42Å
831	L	77.3	Confident	73.4	Confident	8 Å²	8	81 Å²	81	4%	0.042	43%	0.434	C	S	.	.	H	α-helix	trans	-61.9	-46.5	175.2	-168.6	77.7	0	0	0	110.7	V805 L809 L812 L827 G833 Q834 S835 I839 F844	V805-L831 HydrophobicContact CG1-CD2 4.31Å; L809-L831 HydrophobicContact CB-CD1 4.45Å; L812-L831 HydrophobicContact CD1-CB 4.32Å; L812-L831 HydrophobicContact CD1-CD1 3.61Å; L827-L831 VanDerWaalsContact O-CB 3.28Å; L827-L831 WeakPolarHBondContact O-CB 3.3Å; L827-L831 PolarHBondContact O-N 2.97Å; L831-G833 VanDerWaalsContact C-N 3.25Å; L831-G833 PolarHBondContact O-N 3.04Å; L831-Q834 PolarHBondContact O-N 3.31Å; L831-S835 PolarHBondContact O-N 2.84Å; L831-S835 PolarHBondContact O-OG 3.11Å; L831-I839 HydrophobicContact CD2-CD1 3.67Å; L831-I839 HydrophobicContact CD2-CG2 4.28Å; L831-I839 HydrophobicContact CG-CD1 3.66Å; L831-F844 HydrophobicContact CD2-CD2 3.53Å; L831-F844 HydrophobicContact CD2-CE2 3.94Å
832	R	80.1	Confident	73.9	Confident	121 Å²	121	85.4 Å²	85.4	46%	0.457	45%	0.446	S	S	.	.	H	α-helix	trans	-61.7	-29.6	173.3	-77.8	175.7	168.2	-170.7	-5.5	113.7	L828 N829 Q834 I839	L828-R832 WeakPolarHBondContact O-CB 3.43Å; L828-R832 VanDerWaalsContact O-CG 3.31Å; L828-R832 WeakPolarHBondContact O-CG 3.47Å; L828-R832 PolarHBondContact O-N 3.19Å; L828-R832 VanDerWaalsContact O-N 3.13Å; N829-R832 PolarHBondContact O-N 3Å; R832-Q834 VanDerWaalsContact C-N 3.35Å; R832-I839 PolarHBondContact NE-O 3.43Å; R832-I839 PolarHBondContact NH2-O 3.45Å
833	G	75.3	Confident	74.1	Confident	67 Å²	67	86.7 Å²	86.7	69%	0.691	45%	0.453	S	S	*	.	H	α-helix	trans	-76.3	-18.7	177.6	0	0	0	0	0	114.3	N829 D830 L831	N829-G833 PolarHBondContact O-N 3.24Å; D830-G833 PolarHBondContact O-N 3.13Å; L831-G833 VanDerWaalsContact C-N 3.25Å; L831-G833 PolarHBondContact O-N 3.04Å
834	Q	71.4	Confident	74.3	Confident	143 Å²	143	80.4 Å²	80.4	67%	0.668	43%	0.426	S	S	*	.	H	α-helix	trans	-99	-21	177	-72	-171.7	-13.9	0	0	113.9	D830 L831 R832	D830-Q834 PolarHBondContact O-N 3.42Å; L831-Q834 PolarHBondContact O-N 3.31Å; R832-Q834 VanDerWaalsContact C-N 3.35Å
835	S	67.1	Low	74.4	Confident	32 Å²	32	80.3 Å²	80.3	22%	0.224	43%	0.428	C	S	.	.			trans	-96.9	123.9	-178	60.2	0	0	0	0	112.6	L831 T837 I839	L831-S835 PolarHBondContact O-N 2.84Å; L831-S835 PolarHBondContact O-OG 3.11Å; S835-T837 PolarHBondContact O-N 3.48Å; S835-T837 PolarHBondContact OG-O 3.12Å; S835-T837 VanDerWaalsContact OG-O 3.11Å; S835-I839 WeakPolarHBondContact OG-CD1 3.14Å
836	E	57.6	Low	74.4	Confident	208 Å²	208	75.7 Å²	75.7	97%	0.972	41%	0.406	S	S	*	.	S	Bend	trans	-65.3	-17.7	168.2	-65	-175.9	151.4	0	0	112.8
837	T	60.9	Low	74.4	Confident	108 Å²	108	70.4 Å²	70.4	66%	0.663	38%	0.382	S	S	*	.	S	Bend	trans	-91.7	140.9	176.8	43.4	0	0	0	0	112.2	S835 I839	S835-T837 PolarHBondContact O-N 3.48Å; S835-T837 PolarHBondContact OG-O 3.12Å; S835-T837 VanDerWaalsContact OG-O 3.11Å; T837-I839 PolarHBondContact O-N 3.43Å; T837-I839 VanDerWaalsContact O-N 3.09Å
838	A	65.7	Low	74.6	Confident	100 Å²	100	70.2 Å²	70.2	83%	0.826	38%	0.381	S	S	*	.			trans	-72.5	101.9	179.3	0	0	0	0	0	111.8	T840	A838-T840 PolarHBondContact O-N 2.78Å
839	I	73.8	Confident	74.6	Confident	17 Å²	17	76.5 Å²	76.5	9%	0.087	40%	0.403	C	S	.	.			trans	-78.9	116.9	177.2	-58.2	174.9	0	0	0	110.4	L831 R832 S835 T837 F844	L831-I839 HydrophobicContact CD2-CD1 3.67Å; L831-I839 HydrophobicContact CD2-CG2 4.28Å; L831-I839 HydrophobicContact CG-CD1 3.66Å; R832-I839 PolarHBondContact NE-O 3.43Å; R832-I839 PolarHBondContact NH2-O 3.45Å; S835-I839 WeakPolarHBondContact OG-CD1 3.14Å; T837-I839 PolarHBondContact O-N 3.43Å; T837-I839 VanDerWaalsContact O-N 3.09Å; I839-F844 HydrophobicContact CG2-CB 4.49Å
840	T	75.6	Confident	74.7	Confident	63 Å²	63	72.8 Å²	72.8	39%	0.387	39%	0.386	S	S	.	.			trans	-71.7	155.6	172.5	64.4	0	0	0	0	110.7	A838 E842 L843 F844	A838-T840 PolarHBondContact O-N 2.78Å; T840-E842 VanDerWaalsContact C-N 3.28Å; T840-E842 PolarHBondContact O-N 2.81Å; T840-L843 WeakPolarHBondContact OG1-CD1 3.5Å; T840-L843 WeakPolarHBondContact OG1-CG 3.38Å; T840-F844 PolarHBondContact O-N 2.84Å
841	K	77.2	Confident	74.8	Confident	122 Å²	122	70 Å²	70	53%	0.53	37%	0.371	S	S	.	.	H	α-helix	trans	-64.4	-35.7	-179.6	-171.5	-170.2	167.4	-157.8	0	111.9	Y824 L828 F844 D845	Y824-K841 WeakPolarHBondContact OH-CE 3.34Å; L828-K841 HydrophobicContact CD1-CG 4.34Å; K841-F844 WeakPolarHBondContact O-CB 3.45Å; K841-F844 PolarHBondContact O-N 3.07Å; K841-D845 PolarHBondContact O-N 3.42Å
842	E	76.8	Confident	74.9	Confident	145 Å²	145	71.2 Å²	71.2	68%	0.678	38%	0.382	S	S	*	.	H	α-helix	trans	-63	-47.7	179.2	-69.6	151.3	-171.3	0	0	112.2	T840 F844 D845 E846	T840-E842 VanDerWaalsContact C-N 3.28Å; T840-E842 PolarHBondContact O-N 2.81Å; E842-F844 PolarHBondContact O-N 3.06Å; E842-D845 PolarHBondContact O-N 2.85Å; E842-E846 WeakPolarHBondContact O-CB 3.24Å; E842-E846 WeakPolarHBondContact O-CG 3.34Å; E842-E846 PolarHBondContact O-N 3.17Å
843	L	74.7	Confident	74.9	Confident	58 Å²	58	71.5 Å²	71.5	30%	0.304	39%	0.393	S	S	.	.	H	α-helix	trans	-60	-34	176.1	-72.2	171.5	0	0	0	112.4	T840 A847	T840-L843 WeakPolarHBondContact OG1-CD1 3.5Å; T840-L843 WeakPolarHBondContact OG1-CG 3.38Å; L843-A847 VanDerWaalsContact O-CB 3.28Å; L843-A847 WeakPolarHBondContact O-CB 3.48Å; L843-A847 PolarHBondContact O-N 2.93Å
844	F	79.4	Confident	75.1	Confident	1 Å²	1	74 Å²	74	0%	0.004	39%	0.39	C	S	.	.	H	α-helix	trans	-71	-45.7	174.9	-179.7	-105.5	0	0	0	112.3	L809 Y824 L827 L828 L831 I839 T840 K841 E842 E846 A847 L848	L809-F844 HydrophobicContact CD1-CD2 3.75Å; L809-F844 HydrophobicContact CD1-CE2 3.55Å; L809-F844 HydrophobicContact CD1-CZ 4.48Å; L809-F844 HydrophobicContact CG-CE2 4.21Å; Y824-F844 AromaticContact CD2-CE1 3.97Å; Y824-F844 HydrophobicContact CD2-CE1 3.97Å; Y824-F844 AromaticContact CE2-CD1 3.98Å; Y824-F844 HydrophobicContact CE2-CD1 3.98Å; Y824-F844 AromaticContact CE2-CE1 3.64Å; Y824-F844 HydrophobicContact CE2-CE1 3.64Å; Y824-F844 AromaticContact CZ-CE1 4Å; L827-F844 HydrophobicContact CB-CE2 4.46Å; L827-F844 HydrophobicContact CB-CZ 3.9Å; L828-F844 HydrophobicContact CB-CD1 4.31Å; L828-F844 HydrophobicContact CB-CE1 3.97Å; L828-F844 HydrophobicContact CB-CZ 4.09Å; L828-F844 HydrophobicContact CD1-CB 4.19Å; L828-F844 HydrophobicContact CD1-CD1 3.64Å; L828-F844 HydrophobicContact CD1-CE1 4.12Å; L828-F844 HydrophobicContact CD1-CG 3.95Å; L828-F844 HydrophobicContact CG-CD1 4.49Å; L831-F844 HydrophobicContact CD2-CD2 3.53Å; L831-F844 HydrophobicContact CD2-CE2 3.94Å; I839-F844 HydrophobicContact CG2-CB 4.49Å; T840-F844 PolarHBondContact O-N 2.84Å; K841-F844 WeakPolarHBondContact O-CB 3.45Å; K841-F844 PolarHBondContact O-N 3.07Å; E842-F844 PolarHBondContact O-N 3.06Å; F844-E846 VanDerWaalsContact C-N 3.32Å; F844-E846 PolarHBondContact O-N 3.47Å; F844-A847 PolarHBondContact O-N 2.96Å; F844-L848 HydrophobicContact CD1-CD1 3.89Å; F844-L848 HydrophobicContact CE1-CD1 3.42Å; F844-L848 VanDerWaalsContact CE1-CD1 3.42Å; F844-L848 HydrophobicContact CE1-CG 4.27Å; F844-L848 HydrophobicContact CZ-CD1 3.78Å; F844-L848 HydrophobicContact CZ-CG 4.28Å; F844-L848 WeakPolarHBondContact O-CB 3.49Å; F844-L848 WeakPolarHBondContact O-CG 3.41Å; F844-L848 PolarHBondContact O-N 3.01Å
845	D	80.6	Confident	75.3	Confident	41 Å²	41	73.1 Å²	73.1	22%	0.219	39%	0.39	C	S	.	.	H	α-helix	trans	-64.8	-36.1	177.9	-72.2	-19.2	0	0	0	111.4	Y824 K841 E842 R849	Y824-D845 WeakPolarHBondContact CE2-OD1 3.43Å; Y824-D845 VanDerWaalsContact CZ-OD1 3.26Å; Y824-D845 VanDerWaalsContact OH-CG 3.31Å; Y824-D845 PolarHBondContact OH-OD1 3.36Å; Y824-D845 PolarHBondContact OH-OD2 3.38Å; K841-D845 PolarHBondContact O-N 3.42Å; E842-D845 PolarHBondContact O-N 2.85Å; D845-R849 WeakPolarHBondContact O-CG 3.45Å; D845-R849 PolarHBondContact O-N 2.86Å
846	E	78.3	Confident	75.5	Confident	55 Å²	55	74.5 Å²	74.5	26%	0.257	39%	0.391	S	S	.	.	H	α-helix	trans	-72.3	-36.3	174.2	-72.9	-171.8	173.4	0	0	114.1	M794 K802 E842 F844 R849 A850	M794-E846 WeakPolarHBondContact CE-OE1 3.11Å; M794-E846 WeakPolarHBondContact CE-OE2 3.49Å; K802-E846 HydrophobicContact CD-CB 4.39Å; K802-E846 WeakPolarHBondContact CE-O 3.49Å; E842-E846 WeakPolarHBondContact O-CB 3.24Å; E842-E846 WeakPolarHBondContact O-CG 3.34Å; E842-E846 PolarHBondContact O-N 3.17Å; F844-E846 VanDerWaalsContact C-N 3.32Å; F844-E846 PolarHBondContact O-N 3.47Å; E846-R849 PolarHBondContact O-N 2.77Å; E846-A850 PolarHBondContact O-N 3.4Å
847	A	78.6	Confident	76.4	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-67.8	-37	173	0	0	0	0	0	111.4	V805 A806 L809 L843 F844 A850 L851	V805-A847 HydrophobicContact CB-CB 4.47Å; V805-A847 HydrophobicContact CG1-CB 3.79Å; A806-A847 HydrophobicContact CB-CB 4.31Å; L809-A847 HydrophobicContact CD1-CB 4.27Å; L843-A847 VanDerWaalsContact O-CB 3.28Å; L843-A847 WeakPolarHBondContact O-CB 3.48Å; L843-A847 PolarHBondContact O-N 2.93Å; F844-A847 PolarHBondContact O-N 2.96Å; A847-A850 PolarHBondContact O-N 2.92Å; A847-L851 WeakPolarHBondContact O-CG 3.32Å; A847-L851 PolarHBondContact O-N 2.86Å; A847-L851 VanDerWaalsContact O-N 3.09Å
848	L	80.8	Confident	77.1	Confident	4 Å²	4	62.2 Å²	62.2	2%	0.021	33%	0.33	C	S	.	.	H	α-helix	trans	-65.4	-38.2	171.4	-78.5	177.2	0	0	0	112.7	L809 Y824 F844 A852 L857 V859 V864	L809-L848 HydrophobicContact CD1-CD2 4.04Å; L809-L848 HydrophobicContact CD1-CG 4.15Å; L809-L848 HydrophobicContact CD2-CD2 4.03Å; Y824-L848 HydrophobicContact CD2-CD1 4.19Å; Y824-L848 HydrophobicContact CE2-CD1 4.08Å; F844-L848 HydrophobicContact CD1-CD1 3.89Å; F844-L848 HydrophobicContact CE1-CD1 3.42Å; F844-L848 VanDerWaalsContact CE1-CD1 3.42Å; F844-L848 HydrophobicContact CE1-CG 4.27Å; F844-L848 HydrophobicContact CZ-CD1 3.78Å; F844-L848 HydrophobicContact CZ-CG 4.28Å; F844-L848 WeakPolarHBondContact O-CB 3.49Å; F844-L848 WeakPolarHBondContact O-CG 3.41Å; F844-L848 PolarHBondContact O-N 3.01Å; L848-A852 WeakPolarHBondContact O-CB 3.25Å; L848-A852 PolarHBondContact O-N 3.42Å; L848-A852 VanDerWaalsContact O-N 3.09Å; L848-L857 HydrophobicContact CD2-CD1 4.16Å; L848-V859 HydrophobicContact CB-CG2 4.42Å; L848-V864 HydrophobicContact CD1-CG2 4.37Å; L848-V864 HydrophobicContact CD2-CG1 4.4Å; L848-V864 HydrophobicContact CD2-CG2 4.3Å
849	R	80.5	Confident	77.3	Confident	153 Å²	153	60.6 Å²	60.6	58%	0.577	31%	0.31	S	S	*	.	H	α-helix	trans	-63.3	-47.2	172.7	-74.8	178.7	-161.9	140.6	5	111.5	D845 E846 L851 A852 D853	D845-R849 WeakPolarHBondContact O-CG 3.45Å; D845-R849 PolarHBondContact O-N 2.86Å; E846-R849 PolarHBondContact O-N 2.77Å; R849-L851 VanDerWaalsContact C-N 3.3Å; R849-L851 PolarHBondContact O-N 3.11Å; R849-A852 CarbonylContact O-C 3.51Å; R849-A852 WeakPolarHBondContact O-CA 3.31Å; R849-A852 WeakPolarHBondContact O-CB 3.44Å; R849-A852 PolarHBondContact O-N 2.71Å; R849-D853 PolarHBondContact O-N 3.33Å
850	A	80.8	Confident	77.2	Confident	21 Å²	21	63 Å²	63	17%	0.174	33%	0.325	C	S	.	.	H	α-helix	trans	-57.8	-42.1	177.3	0	0	0	0	0	112.5	E846 A847 A852 D853 D854	E846-A850 PolarHBondContact O-N 3.4Å; A847-A850 PolarHBondContact O-N 2.92Å; A850-A852 PolarHBondContact O-N 3.08Å; A850-D853 PolarHBondContact O-N 2.8Å; A850-D854 WeakPolarHBondContact O-CB 3.41Å; A850-D854 PolarHBondContact O-N 2.75Å
851	L	79.5	Confident	77.1	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.021	34%	0.34	C	S	.	.	H	α-helix	trans	-71.7	-13.2	174.8	-67.7	170.1	0	0	0	114.1	A806 L809 K810 A847 R849 Y856 L857	A806-L851 HydrophobicContact CB-CD1 4.42Å; A806-L851 HydrophobicContact CB-CD2 4.37Å; A806-L851 HydrophobicContact CB-CG 4.19Å; L809-L851 HydrophobicContact CB-CD1 4.24Å; L809-L851 HydrophobicContact CD2-CD1 3.94Å; L809-L851 HydrophobicContact CG-CD1 4.45Å; K810-L851 HydrophobicContact CB-CD2 4.4Å; A847-L851 WeakPolarHBondContact O-CG 3.32Å; A847-L851 PolarHBondContact O-N 2.86Å; A847-L851 VanDerWaalsContact O-N 3.09Å; R849-L851 VanDerWaalsContact C-N 3.3Å; R849-L851 PolarHBondContact O-N 3.11Å; L851-Y856 WeakPolarHBondContact O-CA 3.38Å; L851-Y856 WeakPolarHBondContact O-CB 3.41Å; L851-Y856 PolarHBondContact O-N 3.11Å; L851-L857 HydrophobicContact CB-CD1 3.78Å; L851-L857 HydrophobicContact CB-CG 4.34Å; L851-L857 HydrophobicContact CD1-CD1 3.95Å; L851-L857 PolarHBondContact O-N 2.76Å
852	A	78.9	Confident	76.8	Confident	32 Å²	32	66.1 Å²	66.1	26%	0.264	35%	0.353	S	S	.	.	H	α-helix	trans	-90.6	-34	170.4	0	0	0	0	0	111.9	L848 R849 A850 D854 D855 L857	L848-A852 WeakPolarHBondContact O-CB 3.25Å; L848-A852 PolarHBondContact O-N 3.42Å; L848-A852 VanDerWaalsContact O-N 3.09Å; R849-A852 CarbonylContact O-C 3.51Å; R849-A852 WeakPolarHBondContact O-CA 3.31Å; R849-A852 WeakPolarHBondContact O-CB 3.44Å; R849-A852 PolarHBondContact O-N 2.71Å; A850-A852 PolarHBondContact O-N 3.08Å; A852-D854 VanDerWaalsContact C-N 3.27Å; A852-D855 PolarHBondContact O-N 3.41Å; A852-D855 VanDerWaalsContact O-N 3.08Å; A852-L857 VanDerWaalsContact CA-O 3.28Å; A852-L857 WeakPolarHBondContact CA-O 3.06Å; A852-L857 VanDerWaalsContact CB-O 3.25Å; A852-L857 WeakPolarHBondContact CB-O 3.47Å
853	D	79.7	Confident	76.5	Confident	128 Å²	128	61.5 Å²	61.5	68%	0.684	33%	0.334	S	S	*	.	H	α-helix	trans	-65.7	-32	170.4	-57.2	-36	0	0	0	110.8	R849 A850 D855	R849-D853 PolarHBondContact O-N 3.33Å; A850-D853 PolarHBondContact O-N 2.8Å; D853-D855 PolarHBondContact O-N 3.45Å
854	D	80.1	Confident	76.5	Confident	119 Å²	119	59 Å²	59	64%	0.636	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	9.5	170	-73	-20.5	0	0	0	113.7	A850 A852 Y856	A850-D854 WeakPolarHBondContact O-CB 3.41Å; A850-D854 PolarHBondContact O-N 2.75Å; A852-D854 VanDerWaalsContact C-N 3.27Å; D854-Y856 PolarHBondContact O-N 3.22Å
855	D	74.8	Confident	76.1	Confident	125 Å²	125	65.4 Å²	65.4	67%	0.668	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	13.1	-176	-83.9	-36.8	0	0	0	115.8	A852 D853 L867	A852-D855 PolarHBondContact O-N 3.41Å; A852-D855 VanDerWaalsContact O-N 3.08Å; D853-D855 PolarHBondContact O-N 3.45Å; D855-L867 VanDerWaalsContact O-CD1 3.24Å; D855-L867 WeakPolarHBondContact O-CD1 3.45Å
856	Y	72.1	Confident	75.6	Confident	60 Å²	60	66 Å²	66	24%	0.235	35%	0.348	C	S	.	.	S	Bend	trans	-81.3	-28.6	-175.6	-165.1	-108.3	0	0	0	112.8	K810 E814 L851 D854 L866 L867	K810-Y856 HydrophobicContact CD-CE1 4.28Å; K810-Y856 HydrophobicContact CG-CD1 4.49Å; K810-Y856 HydrophobicContact CG-CE1 3.85Å; E814-Y856 WeakPolarHBondContact CG-OH 3.27Å; E814-Y856 PolarHBondContact OE1-OH 3.23Å; L851-Y856 WeakPolarHBondContact O-CA 3.38Å; L851-Y856 WeakPolarHBondContact O-CB 3.41Å; L851-Y856 PolarHBondContact O-N 3.11Å; D854-Y856 PolarHBondContact O-N 3.22Å; Y856-L866 HydrophobicContact CE1-CD2 4.1Å; Y856-L867 PolarHBondContact O-N 3.48Å
857	L	75.4	Confident	74.9	Confident	2 Å²	2	67.3 Å²	67.3	1%	0.01	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	142.5	-175.9	-60.5	171.5	0	0	0	112.2	I813 L848 L851 A852 V864 R865 L866	I813-L857 HydrophobicContact CD1-CD1 3.55Å; I813-L857 HydrophobicContact CD1-CD2 3.87Å; I813-L857 HydrophobicContact CD1-CG 4.37Å; I813-L857 HydrophobicContact CG2-CD2 4.48Å; L848-L857 HydrophobicContact CD2-CD1 4.16Å; L851-L857 HydrophobicContact CB-CD1 3.78Å; L851-L857 HydrophobicContact CB-CG 4.34Å; L851-L857 HydrophobicContact CD1-CD1 3.95Å; L851-L857 PolarHBondContact O-N 2.76Å; A852-L857 VanDerWaalsContact CA-O 3.28Å; A852-L857 WeakPolarHBondContact CA-O 3.06Å; A852-L857 VanDerWaalsContact CB-O 3.25Å; A852-L857 WeakPolarHBondContact CB-O 3.47Å; L857-V864 HydrophobicContact CB-CG1 4.14Å; L857-V864 HydrophobicContact CD1-CG1 4.12Å; L857-V864 HydrophobicContact CD2-CG1 4.06Å; L857-V864 HydrophobicContact CG-CG1 4.34Å; L857-R865 CarbonylContact C-O 3.45Å; L857-R865 WeakPolarHBondContact CA-O 3.41Å; L857-L866 HydrophobicContact CD2-CD2 3.66Å; L857-L866 HydrophobicContact CD2-CG 3.91Å
858	T	75.1	Confident	73.8	Confident	56 Å²	56	75.7 Å²	75.7	34%	0.344	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	118.6	167	45.4	0	0	0	0	111.1	T860 R865 L867	T858-T860 PolarHBondContact O-N 3.09Å; T858-R865 PolarHBondContact N-O 3.49Å; T858-R865 PolarHBondContact O-N 3.15Å; T858-L867 HydrophobicContact CG2-CD1 3.66Å; T858-L867 HydrophobicContact CG2-CD2 4.29Å; T858-L867 HydrophobicContact CG2-CG 3.92Å
859	V	71.9	Confident	73.5	Confident	67 Å²	67	79.3 Å²	79.3	41%	0.406	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	109.1	176.9	-175.8	0	0	0	0	109.2	L848	L848-V859 HydrophobicContact CB-CG2 4.42Å
860	T	71.5	Confident	73.1	Confident	67 Å²	67	75.4 Å²	75.4	41%	0.411	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	88.2	176.3	37.2	0	0	0	0	109.8	T858 K862 T863	T858-T860 PolarHBondContact O-N 3.09Å; T860-K862 PolarHBondContact O-N 3.25Å; T860-K862 VanDerWaalsContact O-N 3.12Å; T860-T863 CarbonylContact C-O 3.52Å; T860-T863 PolarHBondContact N-O 2.93Å; T860-T863 PolarHBondContact O-N 2.79Å; T860-T863 VanDerWaalsContact O-N 3.11Å; T860-T863 PolarHBondContact O-OG1 3.25Å; T860-T863 PolarHBondContact OG1-O 3.15Å
861	G	72.6	Confident	72.7	Confident	67 Å²	67	78.4 Å²	78.4	69%	0.691	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	-110.9	179.8	0	0	0	0	0	112.7
862	K	71	Confident	72.3	Confident	184 Å²	184	82.8 Å²	82.8	80%	0.8	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	0.3	-179	-65.7	-179.5	179.9	176	0	113.9	Y824 T860	Y824-K862 WeakPolarHBondContact CB-O 3.47Å; Y824-K862 PolarHBondContact N-O 3.14Å; T860-K862 PolarHBondContact O-N 3.25Å; T860-K862 VanDerWaalsContact O-N 3.12Å
863	T	71.3	Confident	71.9	Confident	48 Å²	48	85.9 Å²	85.9	29%	0.294	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.4	179.9	46.9	0	0	0	0	111.7	M822 T860	M822-T863 WeakPolarHBondContact O-CA 3.41Å; T860-T863 CarbonylContact C-O 3.52Å; T860-T863 PolarHBondContact N-O 2.93Å; T860-T863 PolarHBondContact O-N 2.79Å; T860-T863 VanDerWaalsContact O-N 3.11Å; T860-T863 PolarHBondContact O-OG1 3.25Å; T860-T863 PolarHBondContact OG1-O 3.15Å
864	V	73.7	Confident	71.4	Confident	5 Å²	5	83.1 Å²	83.1	3%	0.03	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.6	170.1	-175.3	0	0	0	0	107.2	M822 L827 L848 L857	M822-V864 PolarHBondContact N-O 3.37Å; M822-V864 PolarHBondContact O-N 3.19Å; L827-V864 HydrophobicContact CD1-CB 4.15Å; L827-V864 HydrophobicContact CD1-CG2 4.04Å; L848-V864 HydrophobicContact CD1-CG2 4.37Å; L848-V864 HydrophobicContact CD2-CG1 4.4Å; L848-V864 HydrophobicContact CD2-CG2 4.3Å; L857-V864 HydrophobicContact CB-CG1 4.14Å; L857-V864 HydrophobicContact CD1-CG1 4.12Å; L857-V864 HydrophobicContact CD2-CG1 4.06Å; L857-V864 HydrophobicContact CG-CG1 4.34Å
865	R	70.6	Confident	70.7	Confident	135 Å²	135	80.6 Å²	80.6	51%	0.509	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.6	174.9	-68	-177.2	-178.5	-172	-0	109.9	P820 A821 L857 T858	P820-R865 WeakPolarHBondContact O-CA 3.43Å; A821-R865 HydrophobicContact CB-CG 4.34Å; L857-R865 CarbonylContact C-O 3.45Å; L857-R865 WeakPolarHBondContact CA-O 3.41Å; T858-R865 PolarHBondContact N-O 3.49Å; T858-R865 PolarHBondContact O-N 3.15Å
866	L	69.7	Low	70.4	Confident	54 Å²	54	77.2 Å²	77.2	28%	0.283	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	133	167.8	-85.3	153.8	0	0	0	109.3	I813 P820 Y856 L857	I813-L866 HydrophobicContact CG2-CD1 3.79Å; I813-L866 HydrophobicContact CG2-CD2 3.76Å; I813-L866 HydrophobicContact CG2-CG 3.98Å; P820-L866 PolarHBondContact O-N 3.38Å; Y856-L866 HydrophobicContact CE1-CD2 4.1Å; L857-L866 HydrophobicContact CD2-CD2 3.66Å; L857-L866 HydrophobicContact CD2-CG 3.91Å
867	L	65.6	Low	70.3	Confident	82 Å²	82	78.6 Å²	78.6	43%	0.429	47%	0.472	S	S	.	.			trans	-80.8	140.5	153.3	-72.4	169.4	0	0	0	106.9	D855 Y856 T858	D855-L867 VanDerWaalsContact O-CD1 3.24Å; D855-L867 WeakPolarHBondContact O-CD1 3.45Å; Y856-L867 PolarHBondContact O-N 3.48Å; T858-L867 HydrophobicContact CG2-CD1 3.66Å; T858-L867 HydrophobicContact CG2-CD2 4.29Å; T858-L867 HydrophobicContact CG2-CG 3.92Å
868	A	55.2	Low	69.8	Low	176 Å²	176	85.5 Å²	85.5	100%	1.455	51%	0.514	S	S	*	.			trans	-113.7	0	-172	0	0	0	0	0	111.1

Retrieved 868 of 868 residues in 527.1 ms (Link to these results)

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