A0A087YL06_POEFO Loading...

Tubulin tyrosine ligase-like family, member 4

AlphaFold DB (A0A3B3V8M8), UniProt , Accession A0A087YL06, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,032 aa.

						>A0A087YL06_POEFO|A0A087YL06
MPTNQSSPWGGGNLRPCSNTHNAPTAALVSGATFKSSFRHTPPELPKATSLDKHLPSTGASSMMSSVCPVWKTGSGNGSNTRTHHLASDKSAKQPEHQNRTQRPNQNLAASELNRPNARIMVQEVQLRGVTEGCLPAQPLQSGDGAALVPSQDSTDHVPLESSPGCHEDLFIRGHAAVPQSAKLMPKTTDCSSSPPVPHLCLKLSKHQGTKLRKNTSGHKGTKQETRSTKWQLNSPRRSHSAKMPTKHTKTQNGRATRSPSRNQRLVKGGPAGVLVTAANRKSHSAPLPQLPTCRELDSSPCSDVPAVQCGGQRLQPTGLHAGEGVAPCLAGALVGSVTNQISAIHLTKEGQPSSTSTQSLYSSSSVTEEQLMSLECVMQVDGMEEELPDELENAFSDDDDSECYSIIRSSSSDTSIPCISSIEEPMVLGAEDDREERPALVPSLFPLMRPTLYFSTANEKVELLPAEQRRLLKWKMSSVTPNIVKHTIARSHFKATKKSNNWLGCWGHHMKSPGFKAIGEHQKLNHFPGTFQIGRKDRLWRNLSKMQHRFGKQEFNFFPKTFILPQDIKLLRKAWEDSGSKKKWIIKPPASARGMGIQVIHKWSQLPRRRPLLVQKYLHKPYLIGGNKFDLRIYVYVTSYEPLRIYLFSDGLVRFASCKYSSSMKTLNNKFMHLTNYSVNKKNSEYQTNSDDKACQGHKWALKALWHFLGSKGINTDLIWEKIKDIVIKTIIASEPYVNTLLKMHVKTPHSCHELFGFDIMLDENLKPWILEVNISPSLHSNSALDVSIKGQMIRDLLNLAGFKIPPKEEVVSSCSSASSSTSSLHGGNKGKSKSDLSADEKVKRAFFLAQRYADQDFLSSVLDILTPEDVRVLAESEDELNRRGEFERIFPSQSSSRYLRFFECPRYLNILLDQWEQKHCNDRTKCISFLRLLCQKGIHLGSSDSAHMWSKSRCKSRTEAQKPGVASPSRSRVVVSHHNASDGDCSDPESPSVSSLLSSQSTGSSVCSSACSSPQPTPIQNLLPQHFSSF
					

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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	37	Very low	31.4	Very low	244 Å²	244	141 Å²	141	100%	1.202	84%	0.839	S	S	*	*				0	154.1	0	-75.9	-170.9	171.5	0	0	108.2
2	P	45.5	Very low	30.9	Very low	108 Å²	108	135.2 Å²	135.2	70%	0.701	83%	0.83	S	S	*	*			cis	-133.3	173.4	6.6	36.5	-17.7	0	0	0	117.1
3	T	30.8	Very low	30.5	Very low	116 Å²	116	137.9 Å²	137.9	71%	0.712	84%	0.836	S	S	*	*			trans	70.4	146.5	142.2	42.4	0	0	0	0	125.5
4	N	28.9	Very low	30.4	Very low	131 Å²	131	139.4 Å²	139.4	70%	0.701	84%	0.836	S	S	*	*			trans	77.3	148.4	152.1	-69.1	-1.4	0	0	0	119.8
5	Q	27.4	Very low	30.1	Very low	168 Å²	168	145.1 Å²	145.1	79%	0.785	84%	0.837	S	S	*	*			cis	-169.6	169.8	-26.1	-120.1	-176.1	26.6	0	0	109.5
6	S	27	Very low	31.4	Very low	118 Å²	118	142.8 Å²	142.8	83%	0.825	83%	0.828	S	S	*	*			trans	124.1	146.2	150.6	74.7	0	0	0	0	119.4
7	S	29.6	Very low	30.9	Very low	111 Å²	111	141.2 Å²	141.2	78%	0.776	83%	0.826	S	S	*	*			trans	-131.7	173.5	163.9	-50.1	0	0	0	0	107.3
8	P	39.1	Very low	30.8	Very low	130 Å²	130	138.4 Å²	138.4	84%	0.844	82%	0.815	S	S	*	*				-155.9	-160.9	95.1	41.1	-20.3	0	0	0	115.4
9	W	27.4	Very low	30.6	Very low	261 Å²	261	138.7 Å²	138.7	99%	0.989	81%	0.813	S	S	*	*			trans	-118.6	167.2	-174.4	-91.3	44.4	0	0	0	113.7
10	G	27.1	Very low	30.5	Very low	82 Å²	82	136.5 Å²	136.5	85%	0.845	80%	0.801	S	S	*	*			trans	105.7	148.8	146.8	0	0	0	0	0	117.7
11	G	25.4	Very low	30.4	Very low	82 Å²	82	137.3 Å²	137.3	85%	0.845	80%	0.797	S	S	*	*			cis	170	162.7	-7.5	0	0	0	0	0	114.5
12	G	26.2	Very low	30	Very low	71 Å²	71	132.7 Å²	132.7	73%	0.732	78%	0.777	S	S	*	*			trans	90.6	148.9	173.6	0	0	0	0	0	115.8
13	N	25.2	Very low	29.3	Very low	171 Å²	171	131.4 Å²	131.4	91%	0.914	78%	0.775	S	S	*	*			cis	-149.5	177	-4.2	-105	-12.6	0	0	0	111.2
14	L	28.5	Very low	30.2	Very low	159 Å²	159	131.7 Å²	131.7	83%	0.832	78%	0.779	S	S	*	*			trans	-135.3	162.9	-162.4	-93.6	171.1	0	0	0	116
15	R	27	Very low	30.3	Very low	225 Å²	225	131.7 Å²	131.7	85%	0.849	78%	0.784	S	S	*	*			trans	73.8	166.3	155	-81.6	177.3	-173.1	-134	2.8	118.8
16	P	50.7	Low	30.5	Very low	107 Å²	107	127.9 Å²	127.9	70%	0.695	78%	0.781	S	S	*	*			cis	-132.5	-167.7	-7	26.6	-2	0	0	0	115.9
17	C	23.3	Very low	30.6	Very low	117 Å²	117	126.5 Å²	126.5	79%	0.791	78%	0.777	S	S	*	*			trans	88.9	148	156.1	-59.3	0	0	0	0	119.9
18	S	27.8	Very low	30.6	Very low	90 Å²	90	128.6 Å²	128.6	63%	0.629	78%	0.779	S	S	*	*			cis	179.4	154.9	-39.4	46.1	0	0	0	0	111.7
19	N	27	Very low	30.2	Very low	145 Å²	145	128.9 Å²	128.9	78%	0.775	78%	0.778	S	S	*	*			trans	69.9	155.3	159.2	-67.1	7.3	0	0	0	119.2
20	T	28.5	Very low	30.4	Very low	94 Å²	94	122 Å²	122	58%	0.577	77%	0.769	S	S	*	*			cis	-161.9	174.8	-30.1	26.5	0	0	0	0	109.4
21	H	29.3	Very low	30.3	Very low	154 Å²	154	121.5 Å²	121.5	71%	0.713	77%	0.765	S	S	*	*			trans	82.2	144.5	164.5	-51.3	-62.7	0	0	0	117.8
22	N	27.6	Very low	30.5	Very low	147 Å²	147	122 Å²	122	79%	0.786	76%	0.76	S	S	*	*			cis	-155.1	160.1	-14.4	-108.8	0.8	0	0	0	109.9
23	A	31.3	Very low	30.7	Very low	80 Å²	80	124.5 Å²	124.5	66%	0.661	76%	0.762	S	S	*	*			trans	-93	168.7	169.7	0	0	0	0	0	111.9
24	P	49.2	Very low	30.8	Very low	123 Å²	123	126.2 Å²	126.2	80%	0.799	76%	0.761	S	S	*	*				-125.9	159.2	89.8	5.6	17	0	0	0	113.2
25	T	30.8	Very low	31.1	Very low	131 Å²	131	127.4 Å²	127.4	80%	0.804	76%	0.76	S	S	*	*			cis	90.2	137.1	35	-52.9	0	0	0	0	113.5
26	A	32.6	Very low	31.3	Very low	87 Å²	87	122 Å²	122	72%	0.719	76%	0.756	S	S	*	*			cis	-177.4	154.3	-32.9	0	0	0	0	0	110.9
27	A	28.1	Very low	30.5	Very low	90 Å²	90	121.5 Å²	121.5	74%	0.744	76%	0.756	S	S	*	*			trans	-178.4	134.2	149.4	0	0	0	0	0	109
28	L	31.1	Very low	30.8	Very low	155 Å²	155	124.8 Å²	124.8	81%	0.812	76%	0.757	S	S	*	*			cis	81.2	127.8	39.9	-69.5	160.8	0	0	0	113.1
29	V	30.5	Very low	31.2	Very low	135 Å²	135	130 Å²	130	82%	0.818	76%	0.762	S	S	*	*			cis	-141.6	178.1	9.4	-130.2	0	0	0	0	109.3
30	S	30.5	Very low	31.7	Very low	117 Å²	117	130.7 Å²	130.7	82%	0.818	76%	0.761	S	S	*	*			cis	-151.8	-161.5	6.7	66.5	0	0	0	0	109.9
31	G	25.9	Very low	31.9	Very low	72 Å²	72	131.5 Å²	131.5	74%	0.742	77%	0.766	S	S	*	*			cis	-177.4	-145	12.6	0	0	0	0	0	116
32	A	30.4	Very low	33.6	Very low	91 Å²	91	129.7 Å²	129.7	75%	0.752	77%	0.768	S	S	*	*			trans	-119.4	124.2	-160.3	0	0	0	0	0	113.1
33	T	30.2	Very low	35.5	Very low	125 Å²	125	128.3 Å²	128.3	77%	0.767	77%	0.767	S	S	*	*				77.6	124.2	74.4	63.1	0	0	0	0	118.3
34	F	26.8	Very low	35.3	Very low	206 Å²	206	133.9 Å²	133.9	90%	0.904	78%	0.779	S	S	*	*			trans	-158.4	-174.3	137.8	-117.9	-78.6	0	0	0	112.6
35	K	34.5	Very low	34.6	Very low	185 Å²	185	135 Å²	135	80%	0.804	78%	0.777	S	S	*	*				-159.6	163.7	-129.3	-165.6	176.9	-177.2	179.5	0	116.1
36	S	30.8	Very low	36.2	Very low	111 Å²	111	133.2 Å²	133.2	78%	0.776	77%	0.769	S	S	*	*			trans	120.6	157.7	160.2	71	0	0	0	0	115.5
37	S	34.8	Very low	36	Very low	97 Å²	97	138.4 Å²	138.4	68%	0.678	78%	0.775	S	S	*	*			cis	-171.2	143.7	-30.4	-82	0	0	0	0	107.9
38	F	28.8	Very low	36.2	Very low	186 Å²	186	138.3 Å²	138.3	82%	0.816	77%	0.774	S	S	*	*				179.8	137.7	81	-94.8	-97.5	0	0	0	107.7
39	R	36.4	Very low	36.1	Very low	198 Å²	198	137.9 Å²	137.9	75%	0.747	78%	0.778	S	S	*	*				56.3	142.3	89.4	-65.3	-169.8	164.7	-150.5	-3.4	116.1
40	H	37.1	Very low	35.9	Very low	161 Å²	161	136.8 Å²	136.8	75%	0.745	78%	0.777	S	S	*	*			cis	-173.2	171.7	-3	-92	-32	0	0	0	108.1
41	T	33.8	Very low	35.7	Very low	110 Å²	110	138.5 Å²	138.5	68%	0.675	78%	0.776	S	S	*	*			cis	-167.8	156.5	-20.2	29.7	0	0	0	0	111.6
42	P	65.1	Low	35.8	Very low	117 Å²	117	140.8 Å²	140.8	76%	0.76	77%	0.771	S	S	*	*			trans	-103.8	-161.9	171.3	44.1	-37.2	0	0	0	112.4
43	P	66.1	Low	35.7	Very low	117 Å²	117	143.8 Å²	143.8	76%	0.76	77%	0.767	S	S	*	*			cis	-135.6	-173.3	-7.8	44.9	-28.1	0	0	0	115.9
44	E	27.6	Very low	35.6	Very low	197 Å²	197	145.2 Å²	145.2	92%	0.921	77%	0.765	S	S	*	*			trans	-168.6	-176.2	148.3	-118.7	-174.1	-155.4	0	0	117.5
45	L	34.6	Very low	35.8	Very low	146 Å²	146	142.6 Å²	142.6	76%	0.764	76%	0.759	S	S	*	*			trans	-136.3	-154.8	-166.3	-89.4	159.6	0	0	0	113.5
46	P	65.1	Low	36.7	Very low	95 Å²	95	138.6 Å²	138.6	62%	0.617	75%	0.752	S	S	*	*				-117.3	173.9	-77.6	39.2	-27.1	0	0	0	113.8
47	K	28.9	Very low	36.7	Very low	195 Å²	195	138.1 Å²	138.1	85%	0.848	75%	0.749	S	S	*	*			trans	-150.8	163.8	160.9	-88.1	96.5	-141.8	139.5	0	111.1
48	A	31.4	Very low	36.7	Very low	88 Å²	88	140 Å²	140	73%	0.727	76%	0.756	S	S	*	*			trans	-159.4	-176.4	-177.8	0	0	0	0	0	113.4
49	T	28.7	Very low	36.6	Very low	146 Å²	146	134.6 Å²	134.6	90%	0.896	75%	0.753	S	S	*	*			trans	62.2	160.7	177.2	60.6	0	0	0	0	116
50	S	25.8	Very low	36.4	Very low	113 Å²	113	129.8 Å²	129.8	79%	0.79	76%	0.755	S	S	*	*			cis	-147.9	-176.2	10.7	65.2	0	0	0	0	115.3
51	L	27.6	Very low	36	Very low	153 Å²	153	127.8 Å²	127.8	80%	0.801	76%	0.76	S	S	*	*			trans	-56.5	141.7	-179.4	-86.3	77.2	0	0	0	119.4
52	D	28.1	Very low	35.8	Very low	119 Å²	119	127.9 Å²	127.9	64%	0.636	77%	0.765	S	S	*	*				68.1	142.9	107.4	-146.6	18	0	0	0	124.4
53	K	28.5	Very low	34.1	Very low	154 Å²	154	129.8 Å²	129.8	67%	0.67	77%	0.765	S	S	*	*			trans	72.1	125.4	159.3	-72.4	-178.4	-177.6	78.2	0	125.4
54	H	27.3	Very low	32.3	Very low	156 Å²	156	131.8 Å²	131.8	72%	0.722	77%	0.766	S	S	*	*			trans	52.9	121.3	139.1	-66.1	-70.8	0	0	0	124.9
55	L	30.4	Very low	32.4	Very low	150 Å²	150	127 Å²	127	79%	0.785	76%	0.755	S	S	*	*				28.3	152.7	106.7	-79.2	162.4	0	0	0	120.4
56	P	52.8	Low	32	Very low	102 Å²	102	124.8 Å²	124.8	66%	0.662	75%	0.752	S	S	*	*			cis	-143.8	178.5	9	42.8	-24	0	0	0	118.6
57	S	32.5	Very low	30.3	Very low	101 Å²	101	126.9 Å²	126.9	71%	0.706	76%	0.762	S	S	*	*			trans	70.5	158.2	146.7	81.2	0	0	0	0	119.6
58	T	34.1	Very low	30.2	Very low	136 Å²	136	123.1 Å²	123.1	83%	0.834	76%	0.759	S	S	*	*			cis	-151	150.4	1.2	-22.5	0	0	0	0	113.2
59	G	27.7	Very low	31	Very low	72 Å²	72	124.2 Å²	124.2	74%	0.742	76%	0.759	S	S	*	*			trans	98.1	157	149.3	0	0	0	0	0	118.5
60	A	31.4	Very low	31	Very low	97 Å²	97	122.9 Å²	122.9	80%	0.802	75%	0.751	S	S	*	*			cis	-171.1	125.5	-24.5	0	0	0	0	0	111.5
61	S	29.6	Very low	31.1	Very low	119 Å²	119	128.9 Å²	128.9	83%	0.832	76%	0.756	S	S	*	*			trans	157.4	150.5	130.2	62.1	0	0	0	0	112.9
62	S	29.1	Very low	31	Very low	112 Å²	112	131.6 Å²	131.6	78%	0.783	76%	0.761	S	S	*	*			trans	55.8	138.2	154.2	-152.3	0	0	0	0	119.9
63	M	29.7	Very low	31.1	Very low	157 Å²	157	132.5 Å²	132.5	77%	0.773	77%	0.772	S	S	*	*			cis	175.3	154.2	-28.7	-107.9	171.3	174.1	0	0	104.7
64	M	28	Very low	30.9	Very low	159 Å²	159	128.6 Å²	128.6	78%	0.783	78%	0.775	S	S	*	*			cis	-161.4	-171.3	-15.2	-129.4	179.9	-172.2	0	0	104.9
65	S	28.6	Very low	31	Very low	97 Å²	97	127.7 Å²	127.7	68%	0.678	79%	0.786	S	S	*	*			cis	-169.7	151.2	-3.7	37.8	0	0	0	0	106.6
66	S	27.9	Very low	30.9	Very low	100 Å²	100	124 Å²	124	70%	0.699	78%	0.784	S	S	*	*			cis	-174	141.3	-13.3	50.5	0	0	0	0	110.8
67	V	27.9	Very low	29.8	Very low	138 Å²	138	127.5 Å²	127.5	84%	0.836	80%	0.797	S	S	*	*			trans	75.7	136.7	148.7	173.6	0	0	0	0	119.8
68	C	27	Very low	29.6	Very low	116 Å²	116	125.8 Å²	125.8	78%	0.784	80%	0.796	S	S	*	*			trans	-107.1	-143.1	172.5	-46.3	0	0	0	0	108.7
69	P	48.7	Very low	29.4	Very low	112 Å²	112	124.1 Å²	124.1	73%	0.727	79%	0.79	S	S	*	*			cis	-142	172.9	-3.6	45.2	-26.1	0	0	0	117.8
70	V	27.8	Very low	29.5	Very low	118 Å²	118	128 Å²	128	72%	0.715	79%	0.793	S	S	*	*			trans	18.6	120.9	135.7	-175.1	0	0	0	0	121.9
71	W	28.5	Very low	29.5	Very low	238 Å²	238	129.3 Å²	129.3	90%	0.902	79%	0.791	S	S	*	*			trans	41.5	128.5	143	-58.1	13.1	0	0	0	122.3
72	K	26.4	Very low	29.6	Very low	210 Å²	210	134.2 Å²	134.2	91%	0.913	79%	0.792	S	S	*	*				-167.6	177.8	115.4	-112.9	175.2	-177.3	177.5	0	115.6
73	T	29	Very low	29.7	Very low	139 Å²	139	133.6 Å²	133.6	85%	0.853	78%	0.783	S	S	*	*			trans	-83.1	147.9	-163.4	47.9	0	0	0	0	117.9
74	G	25.7	Very low	29.9	Very low	72 Å²	72	133.5 Å²	133.5	74%	0.742	78%	0.781	S	S	*	*			trans	165.9	127.2	161.7	0	0	0	0	0	109.3
75	S	28.7	Very low	29.9	Very low	136 Å²	136	134 Å²	134	95%	0.951	78%	0.781	S	S	*	*			cis	82.2	114.5	45.1	-164	0	0	0	0	113.6
76	G	28.1	Very low	30	Very low	72 Å²	72	136 Å²	136	74%	0.742	78%	0.783	S	S	*	*			trans	120.4	101.5	-171	0	0	0	0	0	110.8
77	N	29	Very low	30.2	Very low	177 Å²	177	135.4 Å²	135.4	95%	0.947	78%	0.784	S	S	*	*			cis	94.5	121.1	31.9	-155.1	30.2	0	0	0	113.2
78	G	28.6	Very low	30.2	Very low	65 Å²	65	133.9 Å²	133.9	67%	0.67	78%	0.78	S	S	*	*			trans	91.9	151	178.6	0	0	0	0	0	116.5
79	S	30.1	Very low	30.4	Very low	101 Å²	101	134.1 Å²	134.1	71%	0.706	77%	0.773	S	S	*	*			cis	175.6	134.5	-35.1	40	0	0	0	0	110.3
80	N	30.6	Very low	29.5	Very low	154 Å²	154	136.5 Å²	136.5	82%	0.824	77%	0.772	S	S	*	*			trans	62.9	164.4	166.2	-54.9	-29.6	0	0	0	115.5
81	T	31.3	Very low	29.5	Very low	123 Å²	123	136.4 Å²	136.4	76%	0.755	78%	0.777	S	S	*	*			cis	-149.5	141	6.3	-18.8	0	0	0	0	106.1
82	R	31.3	Very low	29.6	Very low	223 Å²	223	129.2 Å²	129.2	84%	0.842	77%	0.768	S	S	*	*				43.1	133.9	77.7	-83.3	-156.1	171	178.8	-4	113.7
83	T	31.9	Very low	29.7	Very low	99 Å²	99	128.6 Å²	128.6	61%	0.607	77%	0.765	S	S	*	*			cis	-168.1	166.2	4.6	1.1	0	0	0	0	113.2
84	H	32.7	Very low	29.8	Very low	155 Å²	155	129.5 Å²	129.5	72%	0.718	76%	0.76	S	S	*	*			trans	37.3	127.8	150.9	-57.2	-60.4	0	0	0	122.6
85	H	29.1	Very low	31	Very low	170 Å²	170	131.9 Å²	131.9	79%	0.787	76%	0.762	S	S	*	*				166.5	-179.2	100.9	-88.9	-75.9	0	0	0	110.8
86	L	30.8	Very low	31.2	Very low	137 Å²	137	130.8 Å²	130.8	72%	0.717	74%	0.742	S	S	*	*				-173.5	123.4	-66.5	-158.9	170.9	0	0	0	108.1
87	A	30.2	Very low	31.4	Very low	88 Å²	88	135 Å²	135	73%	0.727	74%	0.742	S	S	*	*			trans	63.4	163.6	170	0	0	0	0	0	117.4
88	S	29.6	Very low	31.6	Very low	107 Å²	107	132.1 Å²	132.1	75%	0.748	72%	0.723	S	S	*	*			cis	-170.2	157.9	-23.8	51.6	0	0	0	0	112.6
89	D	30.3	Very low	31.6	Very low	120 Å²	120	135 Å²	135	64%	0.642	72%	0.723	S	S	*	*			trans	86.6	131.9	142.9	-121.4	-0.4	0	0	0	123.8
90	K	29	Very low	31.6	Very low	162 Å²	162	140.4 Å²	140.4	70%	0.704	73%	0.728	S	S	*	*			trans	66.1	125.7	145.6	-75.8	155.6	-169.6	152.9	0	126.4
91	S	27.7	Very low	31.6	Very low	117 Å²	117	137.9 Å²	137.9	82%	0.818	72%	0.718	S	S	*	*			trans	75	150.3	133.9	69.1	0	0	0	0	121
92	A	30.8	Very low	31.5	Very low	87 Å²	87	139.8 Å²	139.8	72%	0.719	72%	0.719	S	S	*	*			cis	-171	175.6	-19.4	0	0	0	0	0	112.7
93	K	29.2	Very low	31.6	Very low	197 Å²	197	138.3 Å²	138.3	86%	0.857	71%	0.713	S	S	*	*			trans	80.3	120.7	167.9	-57.6	-177.4	176.6	-178.4	0	117.7
94	Q	30.6	Very low	32.3	Very low	158 Å²	158	139 Å²	139	74%	0.738	72%	0.72	S	S	*	*				64.2	165.5	65.3	-111.4	-165.4	-16.3	0	0	114.7	E96	Q94-E96 PolarHBondContact NE2-O 3.41Å
95	P	51.9	Low	32.2	Very low	122 Å²	122	137.2 Å²	137.2	79%	0.792	72%	0.715	S	S	*	*			cis	-99.9	-174.1	17.7	43.5	-39.5	0	0	0	113.8
96	E	32.8	Very low	32.4	Very low	113 Å²	113	137 Å²	137	53%	0.528	71%	0.714	S	S	.	*			cis	-121.2	-109.2	-13.5	-166	-156.7	14.4	0	0	110.5	Q94 Q98	Q94-E96 PolarHBondContact NE2-O 3.41Å; E96-Q98 PolarHBondContact OE1-NE2 2.77Å
97	H	31.9	Very low	32.4	Very low	159 Å²	159	137.3 Å²	137.3	74%	0.736	72%	0.717	S	S	*	*			cis	-153.9	-179	1.5	-164.3	39.8	0	0	0	113.7
98	Q	32.4	Very low	32.3	Very low	117 Å²	117	140.4 Å²	140.4	55%	0.547	72%	0.72	S	S	.	*			trans	-96.2	155	-162.3	-72.1	174.4	29.9	0	0	114.1	E96	E96-Q98 PolarHBondContact OE1-NE2 2.77Å
99	N	30	Very low	32.2	Very low	125 Å²	125	139.4 Å²	139.4	67%	0.668	72%	0.719	S	S	*	*			cis	-130.2	144	-5.3	-89.4	-48.4	0	0	0	108.6
100	R	30.5	Very low	32	Very low	216 Å²	216	138.3 Å²	138.3	82%	0.815	73%	0.726	S	S	*	*				58	131.1	69.4	-102.6	-153.8	157.8	165.8	-6.5	113.3
101	T	29.7	Very low	31.9	Very low	100 Å²	100	135.6 Å²	135.6	61%	0.613	73%	0.727	S	S	*	*			cis	-158.8	173	1.9	-19.7	0	0	0	0	107.7
102	Q	28.1	Very low	31.9	Very low	164 Å²	164	138.4 Å²	138.4	77%	0.766	73%	0.728	S	S	*	*			cis	-157.7	-164.5	0.7	-153.3	176.9	-98	0	0	109.5
103	R	35.3	Very low	31.7	Very low	191 Å²	191	142 Å²	142	72%	0.721	73%	0.734	S	S	*	*			trans	-131	-173.5	154.3	-67.3	-177	177.5	169.2	-2.5	109.3
104	P	46.6	Very low	31.5	Very low	115 Å²	115	138.8 Å²	138.8	75%	0.747	73%	0.726	S	S	*	*				-125.6	152.6	89.9	4.5	18.3	0	0	0	112.2
105	N	30.4	Very low	31.4	Very low	117 Å²	117	141.9 Å²	141.9	63%	0.626	73%	0.731	S	S	*	*				66.1	115.4	58.5	-64.7	7	0	0	0	112.2
106	Q	33	Very low	30.9	Very low	165 Å²	165	140.7 Å²	140.7	77%	0.771	72%	0.723	S	S	*	*				96	148	50.8	-84.4	-167.4	-20.2	0	0	113.7
107	N	29.8	Very low	30.6	Very low	144 Å²	144	142.7 Å²	142.7	77%	0.77	74%	0.738	S	S	*	*			trans	83.5	149.5	179.6	-56.7	-20.4	0	0	0	116
108	L	28.4	Very low	30.5	Very low	152 Å²	152	139 Å²	139	80%	0.796	74%	0.735	S	S	*	*			cis	-162.2	149.7	-12.2	-113.5	168.4	0	0	0	111.8
109	A	27.3	Very low	30.1	Very low	87 Å²	87	145.3 Å²	145.3	72%	0.719	75%	0.753	S	S	*	*			trans	56.2	136.5	150.9	0	0	0	0	0	125.1
110	A	27.1	Very low	30	Very low	97 Å²	97	146.8 Å²	146.8	80%	0.802	76%	0.76	S	S	*	*			trans	58.3	149.1	144	0	0	0	0	0	121.4
111	S	27.3	Very low	29.6	Very low	104 Å²	104	144.6 Å²	144.6	73%	0.727	76%	0.761	S	S	*	*			cis	-166.2	165.4	-10.1	45.8	0	0	0	0	112.1
112	E	26.9	Very low	29.4	Very low	177 Å²	177	145.7 Å²	145.7	83%	0.827	77%	0.767	S	S	*	*			trans	60.4	118.1	163.2	-61.1	-169.4	156.8	0	0	121.8
113	L	26.3	Very low	29.2	Very low	162 Å²	162	145.1 Å²	145.1	85%	0.848	76%	0.764	S	S	*	*				-179	178.3	104.2	-106.5	159.7	0	0	0	113.8
114	N	25.9	Very low	28.6	Very low	129 Å²	129	142.4 Å²	142.4	69%	0.69	76%	0.76	S	S	*	*			trans	-82.7	138	-161.7	-84.5	-67.8	0	0	0	117.3
115	R	26.8	Very low	27.6	Very low	224 Å²	224	143.5 Å²	143.5	85%	0.845	76%	0.764	S	S	*	*			trans	57.6	165	137.1	-73.5	-172.8	-180	-165.6	1.4	120.3
116	P	42.1	Very low	27.3	Very low	96 Å²	96	145.7 Å²	145.7	62%	0.623	77%	0.77	S	S	*	*			cis	-132	-167.1	-28.3	35.9	-16.8	0	0	0	113
117	N	26.5	Very low	26.9	Very low	156 Å²	156	145.5 Å²	145.5	83%	0.834	77%	0.774	S	S	*	*			trans	73.5	155.4	163.5	-59	-19	0	0	0	116.9
118	A	29.4	Very low	26.6	Very low	81 Å²	81	150 Å²	150	67%	0.669	78%	0.78	S	S	*	*			cis	-130.8	143.6	4.4	0	0	0	0	0	113.8	I120	A118-I120 HydrophobicContact CB-CG1 4.34Å
119	R	24.3	Very low	26.6	Very low	249 Å²	249	145.9 Å²	145.9	94%	0.94	78%	0.775	S	S	*	*			trans	-86.4	145	143.8	-81.2	177.3	168.1	173.6	-4.8	107.3
120	I	27.2	Very low	26.5	Very low	157 Å²	157	148.9 Å²	148.9	81%	0.805	78%	0.784	S	S	*	*			trans	-131	114.3	161.4	-64	-175.2	0	0	0	108.6	A118	A118-I120 HydrophobicContact CB-CG1 4.34Å
121	M	22.9	Very low	26.6	Very low	170 Å²	170	150.3 Å²	150.3	84%	0.837	78%	0.783	S	S	*	*			trans	-96	-164.3	152.4	-77.7	-176.4	166.9	0	0	107.3
122	V	25.2	Very low	26.6	Very low	122 Å²	122	155.1 Å²	155.1	74%	0.739	79%	0.793	S	S	*	*			trans	78	132.8	160.3	179.4	0	0	0	0	113.6
123	Q	23.8	Very low	26.5	Very low	152 Å²	152	150.2 Å²	150.2	71%	0.71	79%	0.791	S	S	*	*			cis	-160.5	-160.1	-23.3	-135	162.3	-81.9	0	0	110
124	E	23.9	Very low	26.4	Very low	134 Å²	134	148.7 Å²	148.7	63%	0.626	79%	0.792	S	S	*	*			trans	-45.1	156.8	174.7	-57.9	134.9	128	0	0	116.1
125	V	24.6	Very low	26.5	Very low	139 Å²	139	150.2 Å²	150.2	84%	0.842	80%	0.799	S	S	*	*			trans	-122.9	127.1	137.3	176.8	0	0	0	0	108
126	Q	23.7	Very low	27.4	Very low	162 Å²	162	145.3 Å²	145.3	76%	0.757	80%	0.797	S	S	*	*			trans	-119.3	131	177.8	179.5	-179.2	4.3	0	0	108.1
127	L	24.4	Very low	26.6	Very low	162 Å²	162	145.3 Å²	145.3	85%	0.848	81%	0.805	S	S	*	*			trans	-138.8	128.1	175.6	-94.7	166.5	0	0	0	110.5
128	R	24.3	Very low	26.6	Very low	238 Å²	238	146.7 Å²	146.7	90%	0.898	81%	0.806	S	S	*	*			trans	-160.7	137.8	178.2	-160	-175.3	-152.3	-112.3	6	109.6
129	G	27.7	Very low	27.1	Very low	66 Å²	66	147.7 Å²	147.7	68%	0.68	81%	0.806	S	S	*	*			trans	79.6	-178.5	-179.4	0	0	0	0	0	113.5
130	V	27.1	Very low	27.1	Very low	149 Å²	149	142.4 Å²	142.4	90%	0.903	80%	0.796	S	S	*	*			cis	-104.6	176.6	6.7	-174.7	0	0	0	0	110.9
131	T	29.1	Very low	27	Very low	128 Å²	128	143 Å²	143	79%	0.785	80%	0.795	S	S	*	*			trans	-143.8	141.9	-170.9	51.9	0	0	0	0	112.8
132	E	26.1	Very low	27.2	Very low	204 Å²	204	140.8 Å²	140.8	95%	0.953	80%	0.796	S	S	*	*			trans	-104	152.7	169.9	-61.2	-170.7	150.6	0	0	110.6
133	G	24.5	Very low	27.2	Very low	75 Å²	75	138.1 Å²	138.1	77%	0.773	79%	0.793	S	S	*	*			cis	177.9	171.6	-5.4	0	0	0	0	0	106.8
134	C	25.2	Very low	27.3	Very low	130 Å²	130	139.2 Å²	139.2	88%	0.878	80%	0.804	S	S	*	*			cis	-169.8	-177.3	-12.9	-166.8	0	0	0	0	104.4
135	L	28.6	Very low	27.4	Very low	160 Å²	160	135.6 Å²	135.6	84%	0.838	80%	0.803	S	S	*	*			trans	-97.8	-171.4	-174.5	-67.3	170.7	0	0	0	110.9
136	P	45.7	Very low	27.5	Very low	121 Å²	121	134.1 Å²	134.1	79%	0.786	81%	0.805	S	S	*	*			cis	-144.8	-176.2	6.9	44.5	-25.1	0	0	0	117.6
137	A	24.6	Very low	27.6	Very low	96 Å²	96	130.7 Å²	130.7	79%	0.793	81%	0.805	S	S	*	*			trans	145.2	151.8	131	0	0	0	0	0	115.9
138	Q	26.2	Very low	27.6	Very low	185 Å²	185	131.4 Å²	131.4	86%	0.864	81%	0.808	S	S	*	*			trans	-124.7	174.5	165.3	-88.9	-164.3	-3.2	0	0	106.9
139	P	39.1	Very low	27.7	Very low	103 Å²	103	126 Å²	126	67%	0.669	80%	0.801	S	S	*	*			cis	-151.7	-169.7	27.4	42	-18.6	0	0	0	118.9
140	L	25.4	Very low	28.8	Very low	138 Å²	138	128.2 Å²	128.2	72%	0.723	80%	0.804	S	S	*	*			trans	88.7	124.6	142.4	-113.8	73.1	0	0	0	124.7
141	Q	25.7	Very low	28.8	Very low	168 Å²	168	125.1 Å²	125.1	79%	0.785	79%	0.789	S	S	*	*			trans	81.9	146	132.9	-94.5	172.5	1.9	0	0	126
142	S	26.2	Very low	28.9	Very low	124 Å²	124	127 Å²	127	87%	0.867	79%	0.789	S	S	*	*			trans	62.1	150.3	170.6	54.9	0	0	0	0	118.7
143	G	24.7	Very low	29	Very low	66 Å²	66	123 Å²	123	68%	0.68	77%	0.774	S	S	*	*			cis	119	142.5	-5.3	0	0	0	0	0	114
144	D	26.8	Very low	29.3	Very low	175 Å²	175	124 Å²	124	94%	0.936	77%	0.769	S	S	*	*			cis	-167.3	176.5	-8.4	-141.4	-67.9	0	0	0	111.9
145	G	25.2	Very low	29.6	Very low	58 Å²	58	124 Å²	124	60%	0.598	77%	0.765	S	S	*	*			trans	126.2	131.6	176.5	0	0	0	0	0	114.1
146	A	27.2	Very low	29.6	Very low	108 Å²	108	122.8 Å²	122.8	89%	0.893	76%	0.76	S	S	*	*			cis	78.7	139.6	45	0	0	0	0	0	114.3
147	A	25.6	Very low	28.9	Very low	90 Å²	90	125.5 Å²	125.5	74%	0.744	76%	0.761	S	S	*	*			cis	-171.7	164.2	-17.8	0	0	0	0	0	108.9
148	L	25.4	Very low	29.2	Very low	177 Å²	177	126.3 Å²	126.3	93%	0.927	76%	0.756	S	S	*	*			trans	166.7	164.2	144.6	-91.4	161.5	0	0	0	115.2
149	V	26.3	Very low	30	Very low	124 Å²	124	122.6 Å²	122.6	75%	0.752	75%	0.748	S	S	*	*			trans	-158.2	165.1	-166.6	160.3	0	0	0	0	106.3
150	P	49.4	Very low	29.5	Very low	113 Å²	113	124.2 Å²	124.2	73%	0.734	75%	0.75	S	S	*	*			cis	-112.5	-136.5	4.1	17.2	11	0	0	0	112.5
151	S	28.5	Very low	29.7	Very low	84 Å²	84	126 Å²	126	59%	0.587	76%	0.755	S	S	*	*			cis	-163.4	151.4	15.3	-63.6	0	0	0	0	115.2
152	Q	30	Very low	29.8	Very low	167 Å²	167	122 Å²	122	78%	0.78	75%	0.746	S	S	*	*			trans	54.1	146.2	133.4	-67.3	-173.8	-78.4	0	0	122.4
153	D	28	Very low	29.8	Very low	121 Å²	121	121.7 Å²	121.7	65%	0.647	74%	0.744	S	S	*	*			cis	-157.7	167.3	-7.8	-132.7	-40.3	0	0	0	113.7
154	S	32	Very low	31.3	Very low	95 Å²	95	124.9 Å²	124.9	66%	0.664	75%	0.752	S	S	*	*			trans	41.2	126.9	154.2	66.5	0	0	0	0	121.2
155	T	30.7	Very low	31.1	Very low	130 Å²	130	119.9 Å²	119.9	80%	0.798	74%	0.742	S	S	*	*			cis	-134.9	-118.5	7.4	-39.6	0	0	0	0	111.7
156	D	29.1	Very low	31.3	Very low	136 Å²	136	122.9 Å²	122.9	73%	0.727	75%	0.753	S	S	*	*			cis	-150.3	178.3	0.8	-165	15	0	0	0	111.3
157	H	31.1	Very low	31.4	Very low	177 Å²	177	126 Å²	126	82%	0.819	75%	0.749	S	S	*	*			trans	-73.7	159	-163.8	-82.3	-81.5	0	0	0	117.8
158	V	29.9	Very low	31.7	Very low	113 Å²	113	129.5 Å²	129.5	69%	0.685	75%	0.749	S	S	*	*			trans	-148.6	160	-156.4	149.8	0	0	0	0	106.8
159	P	42.9	Very low	32.1	Very low	108 Å²	108	127.7 Å²	127.7	70%	0.701	74%	0.74	S	S	*	*			cis	-126.8	177.9	23.4	34	-11.5	0	0	0	115.3
160	L	29.7	Very low	32.3	Very low	136 Å²	136	127.8 Å²	127.8	71%	0.712	74%	0.736	S	S	*	*			cis	71.4	157.3	32.7	-89.6	78.8	0	0	0	114.3
161	E	29.2	Very low	31.3	Very low	176 Å²	176	131.3 Å²	131.3	82%	0.822	74%	0.74	S	S	*	*			cis	-127.2	167.2	11.8	-66.9	-179.2	125.3	0	0	111.3
162	S	27.7	Very low	31.2	Very low	85 Å²	85	134.4 Å²	134.4	59%	0.594	75%	0.749	S	S	*	*			cis	88.9	152.2	14.1	75	0	0	0	0	119.3
163	S	25.7	Very low	31.2	Very low	117 Å²	117	137.9 Å²	137.9	82%	0.818	76%	0.755	S	S	*	*			trans	-170.4	166.7	-179	-60.8	0	0	0	0	108.3
164	P	57.2	Low	31.2	Very low	132 Å²	132	135.2 Å²	135.2	86%	0.857	76%	0.756	S	S	*	*			cis	-124.6	-175.6	-21.7	39	-23.5	0	0	0	112.5
165	G	22.9	Very low	31.1	Very low	70 Å²	70	140 Å²	140	72%	0.722	77%	0.767	S	S	*	*			trans	-160.8	163.6	170.8	0	0	0	0	0	113.1
166	C	28.5	Very low	31.1	Very low	122 Å²	122	138.2 Å²	138.2	82%	0.824	77%	0.766	S	S	*	*			trans	-144.2	145.6	-177.3	-54.1	0	0	0	0	111.5
167	H	29.9	Very low	31	Very low	174 Å²	174	136.1 Å²	136.1	81%	0.806	77%	0.768	S	S	*	*			trans	-173.3	165	140.9	-110	-83.4	0	0	0	112.8
168	E	31.9	Very low	30.8	Very low	163 Å²	163	134.7 Å²	134.7	76%	0.762	77%	0.771	S	S	*	*			trans	-37.5	168.1	169.8	-73.5	154.7	152.6	0	0	119.2
169	D	32.8	Very low	31.7	Very low	138 Å²	138	134.6 Å²	134.6	74%	0.738	77%	0.773	S	S	*	*			cis	-175.8	-179.5	-14.1	-179.4	29.4	0	0	0	110.4
170	L	30.5	Very low	31.1	Very low	127 Å²	127	138.4 Å²	138.4	67%	0.665	78%	0.781	S	S	*	*			trans	111.8	117	150.3	-57.9	176.4	0	0	0	123.2
171	F	28.2	Very low	31	Very low	187 Å²	187	136.7 Å²	136.7	82%	0.82	78%	0.78	S	S	*	*			trans	71.8	126.9	136.4	-84	-57.9	0	0	0	126.8
172	I	28	Very low	31.1	Very low	149 Å²	149	132.8 Å²	132.8	76%	0.764	78%	0.779	S	S	*	*				164.3	133.1	109.6	-80.8	-165.3	0	0	0	114.5
173	R	29.2	Very low	31.2	Very low	240 Å²	240	138.1 Å²	138.1	91%	0.906	79%	0.791	S	S	*	*			trans	23	154.7	156	-63.4	176.6	173.9	177.4	-2.5	123.7
174	G	27.2	Very low	31.1	Very low	65 Å²	65	140.7 Å²	140.7	67%	0.67	80%	0.795	S	S	*	*			cis	155.4	162	-7.7	0	0	0	0	0	116.3
175	H	31.3	Very low	29.5	Very low	194 Å²	194	143 Å²	143	90%	0.898	80%	0.796	S	S	*	*			trans	67.2	156.5	171.7	-63.7	-91.7	0	0	0	118.9
176	A	30	Very low	30.5	Very low	94 Å²	94	144.5 Å²	144.5	78%	0.777	79%	0.793	S	S	*	*			cis	-169.7	-173.7	-24.6	0	0	0	0	0	107.5
177	A	27.7	Very low	30.5	Very low	92 Å²	92	147.8 Å²	147.8	76%	0.76	79%	0.794	S	S	*	*			cis	-160.2	176.4	1.4	0	0	0	0	0	109.9
178	V	26.9	Very low	30.3	Very low	147 Å²	147	144.8 Å²	144.8	89%	0.891	79%	0.787	S	S	*	*			trans	-147.9	138	-174.3	-171.6	0	0	0	0	115.9
179	P	47.9	Very low	30.1	Very low	111 Å²	111	142.6 Å²	142.6	72%	0.721	79%	0.786	S	S	*	*			trans	-139	147.8	175	40.5	-24.1	0	0	0	120.1
180	Q	29.7	Very low	29.8	Very low	188 Å²	188	142.9 Å²	142.9	88%	0.879	79%	0.787	S	S	*	*			trans	40.5	148.5	137	-66.5	-179.2	8.5	0	0	124.3
181	S	29.5	Very low	29.5	Very low	99 Å²	99	141.9 Å²	141.9	69%	0.692	79%	0.789	S	S	*	*			cis	-174.4	146.2	-9.5	55.2	0	0	0	0	116.3
182	A	30.3	Very low	29.4	Very low	95 Å²	95	137.8 Å²	137.8	79%	0.785	78%	0.784	S	S	*	*			trans	66.1	162.1	147	0	0	0	0	0	120.2
183	K	28.9	Very low	29.3	Very low	197 Å²	197	136.5 Å²	136.5	86%	0.857	79%	0.788	S	S	*	*			cis	-166.2	162.1	-7	-132.9	176.4	-175.5	177.1	0	111.6
184	L	23.9	Very low	29.4	Very low	171 Å²	171	130.2 Å²	130.2	90%	0.895	78%	0.781	S	S	*	*			trans	126.4	163.2	154.8	-71.3	159	0	0	0	118.6
185	M	24	Very low	30.2	Very low	179 Å²	179	132.6 Å²	132.6	88%	0.882	79%	0.785	S	S	*	*			trans	-141	-165.5	-171	-65.5	-169.8	149.5	0	0	109.7
186	P	44.6	Very low	31	Very low	103 Å²	103	129.1 Å²	129.1	67%	0.669	78%	0.779	S	S	*	*			cis	-146.3	173.1	-0.9	44.2	-24.8	0	0	0	119.8
187	K	27.3	Very low	31.2	Very low	191 Å²	191	131 Å²	131	83%	0.83	78%	0.781	S	S	*	*			trans	66	161.5	149	-75.7	173.6	179.7	-177.6	0	119.1
188	T	25.8	Very low	31.8	Very low	110 Å²	110	132 Å²	132	68%	0.675	78%	0.78	S	S	*	*			cis	-162.6	161.9	4.2	2	0	0	0	0	113.1
189	T	28.2	Very low	31.8	Very low	118 Å²	118	133.4 Å²	133.4	72%	0.724	78%	0.776	S	S	*	*			trans	60.3	150.9	150.7	52.9	0	0	0	0	121.5
190	D	26.3	Very low	31	Very low	143 Å²	143	135.2 Å²	135.2	77%	0.765	78%	0.779	S	S	*	*			cis	-166.5	169.5	-18.1	-117.8	-31.8	0	0	0	114.5
191	C	25.6	Very low	30.7	Very low	106 Å²	106	131.5 Å²	131.5	72%	0.716	77%	0.773	S	S	*	*			trans	69	115.3	148.7	-74.3	0	0	0	0	127.2
192	S	24.6	Very low	30.6	Very low	102 Å²	102	134.7 Å²	134.7	71%	0.713	78%	0.781	S	S	*	*				77.3	110.5	119.1	74.3	0	0	0	0	127.1
193	S	25.5	Very low	30.4	Very low	121 Å²	121	139 Å²	139	85%	0.846	78%	0.782	S	S	*	*				68	145.4	126.4	61.6	0	0	0	0	126.5
194	S	31.7	Very low	30.2	Very low	109 Å²	109	136.8 Å²	136.8	76%	0.762	78%	0.779	S	S	*	*			trans	-105	-165	167.4	60.6	0	0	0	0	111.1
195	P	43.9	Very low	30.3	Very low	115 Å²	115	133 Å²	133	75%	0.747	77%	0.766	S	S	*	*			cis	-135.2	-130.6	1.7	41.6	-17.7	0	0	0	111.8
196	P	47.9	Very low	30.4	Very low	120 Å²	120	133.2 Å²	133.2	78%	0.779	76%	0.763	S	S	*	*			cis	-127.1	-154.6	-36.3	39.8	-20	0	0	0	115.2
197	V	35.8	Very low	29.7	Very low	135 Å²	135	136.4 Å²	136.4	82%	0.818	77%	0.768	S	S	*	*			trans	-114.5	144.2	-166.2	165.7	0	0	0	0	113.4
198	P	38.6	Very low	29.8	Very low	113 Å²	113	136 Å²	136	73%	0.734	77%	0.769	S	S	*	*				-160.9	152.9	115.1	39.6	-18.6	0	0	0	121.4
199	H	28.9	Very low	29.9	Very low	175 Å²	175	132.9 Å²	132.9	81%	0.81	76%	0.759	S	S	*	*			trans	41.9	142.4	141.3	-75.5	-83.9	0	0	0	127.8
200	L	29.3	Very low	29.9	Very low	150 Å²	150	132.9 Å²	132.9	79%	0.785	76%	0.759	S	S	*	*			trans	86.1	109.4	138.7	-86.2	164.8	0	0	0	124.2
201	C	25.1	Very low	30.2	Very low	110 Å²	110	134.6 Å²	134.6	74%	0.743	76%	0.76	S	S	*	*				82.4	164.9	126.6	-130.3	0	0	0	0	124.3
202	L	26.1	Very low	30.3	Very low	166 Å²	166	136.4 Å²	136.4	87%	0.869	76%	0.762	S	S	*	*			trans	82.7	172	159.9	-74.4	172.4	0	0	0	121.9
203	K	25.7	Very low	30.5	Very low	184 Å²	184	141.4 Å²	141.4	80%	0.8	77%	0.765	S	S	*	*			trans	-132.5	162.9	-157.4	-66.4	179.6	176.3	177.1	0	112.8
204	L	26	Very low	30.6	Very low	152 Å²	152	144.2 Å²	144.2	80%	0.796	76%	0.762	S	S	*	*			trans	79.8	110.9	144.5	-112.7	84.8	0	0	0	121.3
205	S	25.6	Very low	30.5	Very low	90 Å²	90	146 Å²	146	63%	0.629	76%	0.763	S	S	*	*				70.4	126.8	127.5	68.9	0	0	0	0	123.2
206	K	26.5	Very low	29.8	Very low	185 Å²	185	146.8 Å²	146.8	80%	0.804	77%	0.766	S	S	*	*				-175.7	135.8	118.6	-94.3	154.6	-176.2	179.6	0	108.4
207	H	29.5	Very low	28.8	Very low	170 Å²	170	145.7 Å²	145.7	79%	0.787	76%	0.761	S	S	*	*				54.3	135.9	81.7	-66.4	-50	0	0	0	113.8
208	Q	28.7	Very low	28.5	Very low	181 Å²	181	141.8 Å²	141.8	85%	0.846	75%	0.748	S	S	*	*			cis	-154.4	-172.6	-3.7	-131.6	-157.6	94.6	0	0	108.6
209	G	28.4	Very low	28	Very low	45 Å²	45	144.8 Å²	144.8	46%	0.464	75%	0.752	S	S	.	*			cis	166.7	-158.5	8	0	0	0	0	0	112.2
210	T	27.6	Very low	28.1	Very low	119 Å²	119	146 Å²	146	73%	0.73	76%	0.755	S	S	*	*			trans	73.5	143.1	179.2	78.6	0	0	0	0	115.7
211	K	32.4	Very low	28.1	Very low	178 Å²	178	141.9 Å²	141.9	77%	0.774	75%	0.749	S	S	*	*			cis	-157.9	164.3	3.3	-100	137.7	-165.6	165.9	0	105.7
212	L	28.6	Very low	28.3	Very low	145 Å²	145	142.9 Å²	142.9	76%	0.759	75%	0.751	S	S	*	*			cis	-164.2	-166.6	-14.8	-150.5	66.9	0	0	0	104.5
213	R	28.2	Very low	28.5	Very low	207 Å²	207	143.7 Å²	143.7	78%	0.781	75%	0.748	S	S	*	*			cis	-164.9	156	-1.8	-161.3	179.5	-170.3	170.6	1.3	107.8
214	K	28.2	Very low	28.6	Very low	180 Å²	180	141.7 Å²	141.7	78%	0.783	74%	0.741	S	S	*	*			trans	73.7	119.6	175.8	-57.4	-174.9	176.5	-177.2	0	115
215	N	28.8	Very low	28.8	Very low	145 Å²	145	141.5 Å²	141.5	78%	0.775	74%	0.736	S	S	*	*				82.9	129.1	52.2	-66.9	29.1	0	0	0	112.3
216	T	29.7	Very low	28.9	Very low	132 Å²	132	143 Å²	143	81%	0.81	74%	0.742	S	S	*	*			cis	-168.3	169.1	-3.6	12.6	0	0	0	0	108.2
217	S	27.8	Very low	29.1	Very low	98 Å²	98	146.1 Å²	146.1	69%	0.685	75%	0.749	S	S	*	*			cis	-124.4	-113.4	3	54.9	0	0	0	0	112.5
218	G	28.1	Very low	29	Very low	53 Å²	53	143.8 Å²	143.8	55%	0.546	75%	0.752	S	S	.	*			cis	92.7	148.7	2.7	0	0	0	0	0	114.9
219	H	29.3	Very low	29.2	Very low	175 Å²	175	141 Å²	141	81%	0.81	75%	0.747	S	S	*	*			cis	-167.1	177.8	-5.7	-79.2	128.5	0	0	0	109.5
220	K	31.2	Very low	29.1	Very low	202 Å²	202	147.3 Å²	147.3	88%	0.878	76%	0.761	S	S	*	*			cis	179.3	131.8	-45	-174.7	179.4	-176.8	-177.4	0	109.8
221	G	27.9	Very low	29	Very low	63 Å²	63	151.1 Å²	151.1	65%	0.649	76%	0.763	S	S	*	*			trans	125	168.1	164.2	0	0	0	0	0	116.4
222	T	31	Very low	28.8	Very low	130 Å²	130	148.9 Å²	148.9	80%	0.798	76%	0.755	S	S	*	*			cis	-174.9	132.3	-31.8	8.5	0	0	0	0	110.4
223	K	29.6	Very low	28.7	Very low	184 Å²	184	149.8 Å²	149.8	80%	0.8	76%	0.76	S	S	*	*			trans	63.4	171.8	163.5	-62.7	-178.1	166.7	-167.9	0	116.4
224	Q	28.5	Very low	28.7	Very low	142 Å²	142	145.5 Å²	145.5	66%	0.664	75%	0.752	S	S	*	*			cis	-169	156.4	-34.1	-98.4	-178.1	-81.2	0	0	106.6
225	E	28.7	Very low	28.8	Very low	148 Å²	148	141.6 Å²	141.6	69%	0.692	75%	0.747	S	S	*	*			cis	-168.2	-149.5	-17	-149.2	-176.6	114.4	0	0	110.3
226	T	27.6	Very low	29.9	Very low	122 Å²	122	139.7 Å²	139.7	75%	0.748	74%	0.743	S	S	*	*			trans	63.2	91.1	162.3	40.4	0	0	0	0	122
227	R	31.4	Very low	29.9	Very low	250 Å²	250	144.2 Å²	144.2	94%	0.943	75%	0.745	S	S	*	*				33.2	112.7	119.1	-165.5	-172.8	-157.6	-176	6.8	120.3
228	S	27.7	Very low	29.9	Very low	121 Å²	121	149.9 Å²	149.9	85%	0.846	75%	0.752	S	S	*	*				171.8	-174.9	127.6	-158.9	0	0	0	0	112.7
229	T	32.3	Very low	29.8	Very low	122 Å²	122	151.4 Å²	151.4	75%	0.748	75%	0.754	S	S	*	*			trans	-113.4	136.7	-166.2	57.9	0	0	0	0	115.6
230	K	25.8	Very low	29.8	Very low	177 Å²	177	152 Å²	152	77%	0.77	76%	0.757	S	S	*	*				163.7	133.2	121.2	-93	-157.2	174.8	-178.1	0	116
231	W	26.2	Very low	29.5	Very low	200 Å²	200	147.7 Å²	147.7	76%	0.758	75%	0.752	S	S	*	*			trans	60.8	124.2	132	-71.6	53.8	0	0	0	124.7
232	Q	28.8	Very low	29.4	Very low	130 Å²	130	148.9 Å²	148.9	61%	0.607	76%	0.756	S	S	*	*			trans	65.6	133	134.1	-75.1	-168.3	-26.7	0	0	124.7
233	L	25.8	Very low	29.1	Very low	164 Å²	164	152.7 Å²	152.7	86%	0.859	76%	0.761	S	S	*	*				-142.6	141.2	118	-126.8	65.3	0	0	0	107.2
234	N	29.3	Very low	28.7	Very low	118 Å²	118	152.2 Å²	152.2	63%	0.631	76%	0.764	S	S	*	*			cis	72.3	132.9	38.1	-92.4	-8.7	0	0	0	113.4
235	S	30.3	Very low	30	Very low	97 Å²	97	150.3 Å²	150.3	68%	0.678	76%	0.764	S	S	*	*			cis	-155.2	-159	16.6	-46.3	0	0	0	0	110.3
236	P	50.7	Low	29.8	Very low	105 Å²	105	149 Å²	149	68%	0.682	77%	0.767	S	S	*	*			cis	-144.2	141.1	-6.7	34.7	-11.7	0	0	0	120.1
237	R	29.7	Very low	29.9	Very low	228 Å²	228	151.4 Å²	151.4	86%	0.86	77%	0.766	S	S	*	*			trans	67.2	158.2	135.2	-62	177.5	176.1	-172.2	-2.9	119.1
238	R	27.8	Very low	29.6	Very low	216 Å²	216	146.5 Å²	146.5	82%	0.815	75%	0.754	S	S	*	*			cis	-155.8	141.7	13.3	-144.3	179.3	-174.2	167.1	-1.6	114.3
239	S	26.7	Very low	29.6	Very low	85 Å²	85	146 Å²	146	59%	0.594	75%	0.746	S	S	*	*			trans	51.9	113.6	142.5	59.2	0	0	0	0	126.2
240	H	28.1	Very low	29.4	Very low	187 Å²	187	148.7 Å²	148.7	87%	0.866	75%	0.747	S	S	*	*				59.3	124	116.4	-63.9	-67.8	0	0	0	126.2
241	S	26	Very low	29.5	Very low	113 Å²	113	145.2 Å²	145.2	79%	0.79	74%	0.741	S	S	*	*				96.7	111.2	124.3	-153	0	0	0	0	124.3
242	A	25.3	Very low	29.6	Very low	88 Å²	88	143.5 Å²	143.5	73%	0.727	74%	0.742	S	S	*	*				67.7	159.1	129.4	0	0	0	0	0	125.2
243	K	25.2	Very low	29.6	Very low	209 Å²	209	144.7 Å²	144.7	91%	0.909	75%	0.752	S	S	*	*			trans	89.3	140.2	161	-70.3	-173.1	176.3	179.9	0	121.5
244	M	20.9	Very low	29.6	Very low	175 Å²	175	140.7 Å²	140.7	86%	0.862	75%	0.751	S	S	*	*			trans	-87.8	-171.9	159.1	-69.6	-118.3	-140.7	0	0	110
245	P	55.2	Low	29.5	Very low	101 Å²	101	147 Å²	147	66%	0.656	77%	0.766	S	S	*	*				-127.8	-176.3	-58.8	37.8	-22.7	0	0	0	111.4
246	T	25	Very low	29.3	Very low	122 Å²	122	147.4 Å²	147.4	75%	0.748	78%	0.775	S	S	*	*				168.3	147.8	127.7	33	0	0	0	0	115.7
247	K	29	Very low	28.2	Very low	171 Å²	171	148.4 Å²	148.4	74%	0.743	78%	0.779	S	S	*	*			trans	22.1	143.2	142.4	-50.4	175.9	-177.9	176.8	0	119.9
248	H	26.3	Very low	27.9	Very low	148 Å²	148	148.4 Å²	148.4	69%	0.685	78%	0.779	S	S	*	*				-166.8	141.4	61.1	-114.2	-79.8	0	0	0	115.4
249	T	26.6	Very low	27.8	Very low	111 Å²	111	142.8 Å²	142.8	68%	0.681	77%	0.773	S	S	*	*			trans	22.8	155.5	137.9	60	0	0	0	0	122.2
250	K	27.8	Very low	29.1	Very low	177 Å²	177	144.1 Å²	144.1	77%	0.77	78%	0.779	S	S	*	*			cis	-177.9	148.4	48.7	-149.1	-175.7	-176	-179.1	0	113.5
251	T	28.6	Very low	29	Very low	105 Å²	105	140.6 Å²	140.6	64%	0.644	78%	0.776	S	S	*	*			trans	59.2	152.1	146.9	36.9	0	0	0	0	121.9
252	Q	28.7	Very low	29.4	Very low	164 Å²	164	145.3 Å²	145.3	77%	0.766	78%	0.776	S	S	*	*			cis	-161.1	168.8	-16.6	-141.8	166.2	0.5	0	0	112.9
253	N	29.1	Very low	29.7	Very low	154 Å²	154	146.8 Å²	146.8	82%	0.824	77%	0.772	S	S	*	*			trans	-33.6	153.9	174.2	-50.2	-16.8	0	0	0	120.6
254	G	25.9	Very low	30.1	Very low	81 Å²	81	144 Å²	144	84%	0.835	76%	0.762	S	S	*	*			trans	-163.3	136.5	157.5	0	0	0	0	0	112.8
255	R	26	Very low	30.4	Very low	251 Å²	251	145.9 Å²	145.9	95%	0.947	76%	0.76	S	S	*	*			trans	-149.6	119.2	-172.7	173.3	-163.3	-175.7	-163	4.5	111.2
256	A	27.9	Very low	29.2	Very low	105 Å²	105	148.6 Å²	148.6	87%	0.868	77%	0.768	S	S	*	*			trans	-162.9	146.7	160.2	0	0	0	0	0	115
257	T	25.9	Very low	29.5	Very low	126 Å²	126	148.6 Å²	148.6	77%	0.773	77%	0.768	S	S	*	*			trans	-77.9	176.4	-175.1	50	0	0	0	0	117.8
258	R	24.9	Very low	29.6	Very low	228 Å²	228	150.4 Å²	150.4	86%	0.86	78%	0.776	S	S	*	*			trans	93.8	99.2	148.3	-81.2	177.4	165.3	-177.5	-5	121
259	S	24.8	Very low	29.6	Very low	98 Å²	98	147.5 Å²	147.5	69%	0.685	79%	0.786	S	S	*	*				13.7	159.5	108.9	63.4	0	0	0	0	121.4
260	P	53.3	Low	29.7	Very low	112 Å²	112	145.8 Å²	145.8	73%	0.727	79%	0.79	S	S	*	*			cis	-142.9	-165.3	-15.8	36.2	-14.2	0	0	0	115.4
261	S	26.4	Very low	31.4	Very low	114 Å²	114	143.5 Å²	143.5	80%	0.797	79%	0.793	S	S	*	*			trans	81.2	157.6	149.9	79.6	0	0	0	0	119.3
262	R	34.4	Very low	31.5	Very low	211 Å²	211	143.6 Å²	143.6	80%	0.796	80%	0.804	S	S	*	*			cis	-173.8	167.5	-31.9	-169.3	-170.2	163.7	149.2	2	108
263	N	31.1	Very low	31.5	Very low	120 Å²	120	139 Å²	139	64%	0.642	80%	0.801	S	S	*	*			trans	77.9	157.2	160.2	-68.6	-19	0	0	0	118.2
264	Q	33.6	Very low	31.4	Very low	150 Å²	150	138.1 Å²	138.1	70%	0.701	80%	0.801	S	S	*	*			cis	-175.4	175.3	-38.2	-125.9	-173.4	13.6	0	0	111.4
265	R	28.1	Very low	31.4	Very low	214 Å²	214	141.4 Å²	141.4	81%	0.808	80%	0.799	S	S	*	*			trans	81.8	137.4	170.2	-55.7	-173.7	178.7	-169.1	-2.5	115.9
266	L	29.5	Very low	31.4	Very low	158 Å²	158	136 Å²	136	83%	0.827	79%	0.793	S	S	*	*			cis	75.2	143.9	42.1	-83	86.7	0	0	0	114.4
267	V	32.3	Very low	31.3	Very low	122 Å²	122	136.9 Å²	136.9	74%	0.739	79%	0.788	S	S	*	*			cis	175.7	139.3	-25.2	122.3	0	0	0	0	107.7
268	K	30.3	Very low	31.3	Very low	210 Å²	210	135.1 Å²	135.1	91%	0.913	79%	0.786	S	S	*	*			trans	148.8	151.8	149.6	-91.8	-178.6	174.9	-176.4	0	114.1
269	G	26.9	Very low	31.4	Very low	87 Å²	87	128.9 Å²	128.9	90%	0.897	78%	0.784	S	S	*	*			trans	126.4	131.8	140.3	0	0	0	0	0	119.3
270	G	27.7	Very low	31.6	Very low	74 Å²	74	130.9 Å²	130.9	76%	0.763	79%	0.786	S	S	*	*			trans	-167.1	-170.9	161.8	0	0	0	0	0	107.4
271	P	65.1	Low	30.3	Very low	129 Å²	129	137.5 Å²	137.5	84%	0.838	80%	0.797	S	S	*	*			cis	-135.1	-155.2	-3.4	43.3	-24.1	0	0	0	113.5
272	A	29.3	Very low	30.4	Very low	107 Å²	107	141 Å²	141	88%	0.884	80%	0.798	S	S	*	*			trans	73.4	151.5	169.5	0	0	0	0	0	118.6
273	G	29.1	Very low	30.1	Very low	67 Å²	67	136 Å²	136	69%	0.691	80%	0.795	S	S	*	*			cis	168.8	165.5	-12.4	0	0	0	0	0	115.6
274	V	27.4	Very low	30.2	Very low	136 Å²	136	139.3 Å²	139.3	82%	0.824	81%	0.806	S	S	*	*			trans	77.3	122.3	151.7	179.4	0	0	0	0	122.2
275	L	25.8	Very low	29.8	Very low	151 Å²	151	137.9 Å²	137.9	79%	0.791	81%	0.813	S	S	*	*			trans	33.1	143.2	151.3	-88.5	71.6	0	0	0	124.5
276	V	25.6	Very low	29.8	Very low	136 Å²	136	132 Å²	132	82%	0.824	81%	0.81	S	S	*	*				-176.5	174.8	107.1	152.7	0	0	0	0	110.3
277	T	24.9	Very low	30.6	Very low	124 Å²	124	130.4 Å²	130.4	76%	0.761	81%	0.809	S	S	*	*			trans	-113.8	-177.9	-155.5	54.3	0	0	0	0	116.6
278	A	25.9	Very low	30.4	Very low	90 Å²	90	131.1 Å²	131.1	74%	0.744	81%	0.808	S	S	*	*			trans	101.6	84.9	147.9	0	0	0	0	0	121.7
279	A	28	Very low	31	Very low	97 Å²	97	127 Å²	127	80%	0.802	80%	0.803	S	S	*	*				46.7	128.7	115.3	0	0	0	0	0	124
280	N	28.3	Very low	31	Very low	139 Å²	139	130.8 Å²	130.8	74%	0.743	80%	0.797	S	S	*	*				88.6	126.2	129.6	-147	9.3	0	0	0	121.7
281	R	26.3	Very low	31.2	Very low	252 Å²	252	134.6 Å²	134.6	95%	0.951	80%	0.799	S	S	*	*			trans	-150.7	146.8	143.7	-103	-173	-177.1	-158.9	-0.4	110
282	K	28.9	Very low	29.8	Very low	188 Å²	188	133.9 Å²	133.9	82%	0.817	79%	0.794	S	S	*	*			trans	-136.2	151.2	178.3	-84.3	-174.1	175.1	-178.9	0	110.6
283	S	27.9	Very low	29.5	Very low	105 Å²	105	134.9 Å²	134.9	73%	0.734	79%	0.79	S	S	*	*			trans	-164.7	118.4	148.4	53.1	0	0	0	0	112.2
284	H	32.9	Very low	29.2	Very low	189 Å²	189	137.2 Å²	137.2	88%	0.875	79%	0.794	S	S	*	*			trans	24.8	150.5	140.6	-49	-75.8	0	0	0	121.3
285	S	25.2	Very low	29	Very low	120 Å²	120	141.3 Å²	141.3	84%	0.839	80%	0.795	S	S	*	*			cis	-143.7	-170.5	23.2	58.1	0	0	0	0	114.4
286	A	28.4	Very low	28.8	Very low	92 Å²	92	142.2 Å²	142.2	76%	0.76	80%	0.795	S	S	*	*			trans	-133.4	-169.4	-171.5	0	0	0	0	0	109.8
287	P	46.9	Very low	28.7	Very low	124 Å²	124	143.8 Å²	143.8	81%	0.805	80%	0.798	S	S	*	*			cis	-143.8	-177.9	19.3	43.6	-21.8	0	0	0	120
288	L	27.2	Very low	28.6	Very low	136 Å²	136	144.5 Å²	144.5	71%	0.712	80%	0.797	S	S	*	*			trans	-41.1	176.1	167.3	-67.5	175.2	0	0	0	118.2	Q290	L288-Q290 HydrophobicContact CD2-CG 4.34Å
289	P	43.3	Very low	28.5	Very low	124 Å²	124	146 Å²	146	81%	0.805	80%	0.803	S	S	*	*			cis	-122	168.2	21.8	20.6	5.1	0	0	0	115.7
290	Q	27.1	Very low	28.5	Very low	167 Å²	167	146.4 Å²	146.4	78%	0.78	80%	0.799	S	S	*	*			cis	104.2	149	32.1	-84.7	-157.8	6.6	0	0	116.9	L288	L288-Q290 HydrophobicContact CD2-CG 4.34Å
291	L	30.7	Very low	28.8	Very low	154 Å²	154	145.9 Å²	145.9	81%	0.806	80%	0.803	S	S	*	*			trans	-70.5	172.2	-174.3	-76.7	128.2	0	0	0	115
292	P	37	Very low	28.7	Very low	113 Å²	113	139.3 Å²	139.3	73%	0.734	80%	0.795	S	S	*	*				-142.5	-168.7	105.6	40.3	-28.1	0	0	0	114.4
293	T	23.7	Very low	28.5	Very low	129 Å²	129	135 Å²	135	79%	0.791	79%	0.788	S	S	*	*				-165.9	170	-55.9	-71.3	0	0	0	0	108.5
294	C	21.8	Very low	28.2	Very low	116 Å²	116	136.4 Å²	136.4	78%	0.784	79%	0.787	S	S	*	*			trans	-69.3	-178.3	-170.1	-42.7	0	0	0	0	118.6
295	R	22.4	Very low	27.9	Very low	222 Å²	222	133.2 Å²	133.2	84%	0.838	78%	0.781	S	S	*	*			trans	106.3	121.6	169.6	-65.8	-178.7	169.9	150.1	-0.5	114.3
296	E	22.8	Very low	28	Very low	170 Å²	170	133.9 Å²	133.9	79%	0.794	78%	0.782	S	S	*	*				76.8	115.8	57.7	-72.3	-179.1	135.1	0	0	113.9
297	L	23.8	Very low	27.8	Very low	168 Å²	168	133.2 Å²	133.2	88%	0.88	78%	0.777	S	S	*	*			trans	-178.2	158.4	134.1	-100.4	164.4	0	0	0	112.5
298	D	21.7	Very low	26.8	Very low	139 Å²	139	133.5 Å²	133.5	74%	0.743	78%	0.776	S	S	*	*			trans	-81.7	160.3	-162.7	-51.9	-83.5	0	0	0	116.9
299	S	23.7	Very low	26.6	Very low	123 Å²	123	135.2 Å²	135.2	86%	0.86	78%	0.781	S	S	*	*				169.5	148.3	103.3	45.6	0	0	0	0	114.1
300	S	27.9	Very low	25.6	Very low	104 Å²	104	134.9 Å²	134.9	73%	0.727	78%	0.78	S	S	*	*			trans	-109.6	173.5	170.4	60.5	0	0	0	0	110.8
301	P	35.2	Very low	25.4	Very low	128 Å²	128	130.6 Å²	130.6	83%	0.831	78%	0.781	S	S	*	*				-147.8	-175	103.5	39.6	-23	0	0	0	115.8
302	C	23.8	Very low	25	Very low	114 Å²	114	126.5 Å²	126.5	77%	0.77	78%	0.775	S	S	*	*			trans	-86.6	179	-162.1	-50.6	0	0	0	0	117.4
303	S	24.6	Very low	24.4	Very low	97 Å²	97	130.6 Å²	130.6	68%	0.678	79%	0.785	S	S	*	*			trans	98.4	109.4	135.8	-76.7	0	0	0	0	121.9
304	D	22.8	Very low	24.4	Very low	135 Å²	135	134.5 Å²	134.5	72%	0.722	79%	0.785	S	S	*	*				67.5	121	116.4	-58.5	-56.6	0	0	0	122.7
305	V	25.7	Very low	24.6	Very low	122 Å²	122	136.8 Å²	136.8	74%	0.739	79%	0.789	S	S	*	*			trans	61.4	121.9	130.3	-179.3	0	0	0	0	118.1
306	P	26.8	Very low	24.6	Very low	134 Å²	134	132.5 Å²	132.5	87%	0.87	78%	0.778	S	S	*	*				-129.6	146.2	107.4	36	-29.9	0	0	0	114.6
307	A	24.7	Very low	25.5	Very low	78 Å²	78	129.2 Å²	129.2	65%	0.645	77%	0.771	S	S	*	*			trans	-133.2	179.9	162.5	0	0	0	0	0	108.1
308	V	25.3	Very low	25.6	Very low	130 Å²	130	128 Å²	128	79%	0.788	77%	0.771	S	S	*	*			trans	73.1	148.7	175.1	-166.4	0	0	0	0	111.1
309	Q	23.5	Very low	25.7	Very low	173 Å²	173	124.5 Å²	124.5	81%	0.808	77%	0.768	S	S	*	*			cis	-141.5	170.9	24.2	-137.5	132.1	38.6	0	0	109.3
310	C	22.1	Very low	25.8	Very low	116 Å²	116	126.3 Å²	126.3	78%	0.784	77%	0.767	S	S	*	*			cis	-126.2	174.8	9.4	-58.6	0	0	0	0	109.7
311	G	23.3	Very low	25.7	Very low	78 Å²	78	129.8 Å²	129.8	80%	0.804	77%	0.772	S	S	*	*			cis	92.9	125.9	18.8	0	0	0	0	0	111.5
312	G	23.4	Very low	25.1	Very low	67 Å²	67	128.6 Å²	128.6	69%	0.691	77%	0.772	S	S	*	*			cis	169.4	-178.6	-5.8	0	0	0	0	0	112.1
313	Q	23.5	Very low	25.1	Very low	200 Å²	200	126.2 Å²	126.2	94%	0.935	77%	0.767	S	S	*	*			trans	68.3	138.8	170.9	-47.6	-178.2	25.8	0	0	115.7
314	R	23.2	Very low	25.1	Very low	211 Å²	211	131.6 Å²	131.6	80%	0.796	78%	0.782	S	S	*	*			cis	108.8	97.1	13.3	-168	-167.5	-164.8	-149.7	7	114.4
315	L	25.4	Very low	25.1	Very low	164 Å²	164	128.3 Å²	128.3	86%	0.859	78%	0.779	S	S	*	*			trans	-148.5	149.7	158.8	-78.9	-178.6	0	0	0	107.3
316	Q	23.9	Very low	25.1	Very low	132 Å²	132	129.8 Å²	129.8	62%	0.617	79%	0.789	S	S	*	*			cis	79.1	131.7	11.3	-52.8	-76.5	32.7	0	0	117.3
317	P	41.2	Very low	25.1	Very low	100 Å²	100	127.5 Å²	127.5	65%	0.649	78%	0.781	S	S	*	*			cis	-137.2	-152.4	-39.4	33.9	-12	0	0	0	111.6
318	T	25.8	Very low	25.9	Very low	143 Å²	143	129.8 Å²	129.8	88%	0.877	79%	0.789	S	S	*	*			trans	69.8	156.1	172.2	77.3	0	0	0	0	117.5
319	G	24.5	Very low	25.9	Very low	66 Å²	66	128.9 Å²	128.9	68%	0.68	79%	0.787	S	S	*	*			cis	159	162.8	-13.8	0	0	0	0	0	114.6
320	L	25.8	Very low	26	Very low	161 Å²	161	128.6 Å²	128.6	84%	0.843	79%	0.791	S	S	*	*			trans	81.1	111.3	163.9	-53.4	175.1	0	0	0	121.5
321	H	24.2	Very low	26.4	Very low	176 Å²	176	128.1 Å²	128.1	82%	0.815	80%	0.795	S	S	*	*				58.1	134.6	126.6	-82.2	-92.3	0	0	0	125.8
322	A	24.3	Very low	26.5	Very low	103 Å²	103	128.1 Å²	128.1	85%	0.851	80%	0.795	S	S	*	*			trans	67.2	152	146.6	0	0	0	0	0	118.9
323	G	22.8	Very low	26.7	Very low	64 Å²	64	129.9 Å²	129.9	66%	0.66	80%	0.803	S	S	*	*			cis	171.8	159.6	-6.5	0	0	0	0	0	111.5
324	E	25.3	Very low	26.9	Very low	211 Å²	211	128 Å²	128	99%	0.986	80%	0.798	S	S	*	*			trans	63.1	161	177.4	-51	-176.8	146	0	0	114.7
325	G	22.3	Very low	27	Very low	65 Å²	65	124.7 Å²	124.7	67%	0.67	80%	0.801	S	S	*	*			cis	173.3	169	-9.2	0	0	0	0	0	111.4
326	V	26	Very low	27	Very low	154 Å²	154	120.3 Å²	120.3	93%	0.933	80%	0.796	S	S	*	*			trans	73.4	130.6	162.7	-172.9	0	0	0	0	118.8
327	A	26.1	Very low	27	Very low	86 Å²	86	119.5 Å²	119.5	71%	0.711	81%	0.805	S	S	*	*			trans	-114.7	-179.4	166.1	0	0	0	0	0	108.3
328	P	41.2	Very low	26.3	Very low	125 Å²	125	120.4 Å²	120.4	81%	0.812	81%	0.808	S	S	*	*			cis	-147.4	-150.1	32.3	43.3	-19.5	0	0	0	114.9
329	C	25.1	Very low	26.2	Very low	111 Å²	111	119.3 Å²	119.3	75%	0.75	80%	0.801	S	S	*	*			trans	-107.3	161	-177.4	-44	0	0	0	0	113.2
330	L	27.3	Very low	26.4	Very low	168 Å²	168	122.2 Å²	122.2	88%	0.88	80%	0.801	S	S	*	*				165.1	132.1	120.8	-88.5	165.3	0	0	0	116.9
331	A	29.9	Very low	26.5	Very low	105 Å²	105	121.5 Å²	121.5	87%	0.868	79%	0.794	S	S	*	*			trans	47.5	145.1	135.4	0	0	0	0	0	126.3
332	G	25.3	Very low	26.6	Very low	79 Å²	79	120 Å²	120	81%	0.814	79%	0.79	S	S	*	*			trans	146.4	149.1	162.5	0	0	0	0	0	113.1
333	A	26.7	Very low	26.7	Very low	103 Å²	103	120.3 Å²	120.3	85%	0.851	79%	0.786	S	S	*	*			cis	-158.6	-157.4	-7.5	0	0	0	0	0	111.6
334	L	28.2	Very low	26.8	Very low	160 Å²	160	121.5 Å²	121.5	84%	0.838	79%	0.79	S	S	*	*			trans	-113.7	149.8	-159.6	-95.1	74.6	0	0	0	118.4
335	V	25.3	Very low	27.1	Very low	143 Å²	143	117.2 Å²	117.2	87%	0.867	77%	0.772	S	S	*	*			trans	57.3	134.4	133.6	179.1	0	0	0	0	124.2
336	G	24.8	Very low	27.3	Very low	72 Å²	72	122.1 Å²	122.1	74%	0.742	78%	0.777	S	S	*	*			trans	113.5	159.3	148.8	0	0	0	0	0	117.4
337	S	25.1	Very low	27.6	Very low	115 Å²	115	121.5 Å²	121.5	80%	0.804	77%	0.768	S	S	*	*			cis	-166.3	138.4	-21	-168.1	0	0	0	0	113
338	V	25.8	Very low	27.8	Very low	119 Å²	119	123 Å²	123	72%	0.721	77%	0.768	S	S	*	*			trans	15.9	133.9	154.6	-170.4	0	0	0	0	122.7
339	T	24.4	Very low	27.2	Very low	119 Å²	119	124.2 Å²	124.2	73%	0.73	76%	0.761	S	S	*	*				171.3	133.4	123.1	31.4	0	0	0	0	117.8
340	N	29.2	Very low	27.4	Very low	127 Å²	127	126.4 Å²	126.4	68%	0.679	76%	0.76	S	S	*	*			trans	54.2	153.6	130.1	-63.8	-8.6	0	0	0	123.9
341	Q	27	Very low	27.2	Very low	147 Å²	147	122 Å²	122	69%	0.687	76%	0.756	S	S	*	*			cis	-166.1	172.9	-3.4	-122.6	175.4	12.7	0	0	115.3
342	I	27.1	Very low	26.8	Very low	144 Å²	144	125.6 Å²	125.6	74%	0.738	76%	0.755	S	S	*	*			trans	72.2	125.4	149.8	-75.6	164.1	0	0	0	117.2
343	S	26.8	Very low	27.4	Very low	109 Å²	109	126.9 Å²	126.9	76%	0.762	75%	0.749	S	S	*	*			cis	-148.5	-153.4	5	-125.5	0	0	0	0	110.7
344	A	25.1	Very low	27.3	Very low	90 Å²	90	126.2 Å²	126.2	74%	0.744	74%	0.738	S	S	*	*			cis	-153.4	-137.4	19.6	0	0	0	0	0	113.6
345	I	29.9	Very low	27.2	Very low	121 Å²	121	123.2 Å²	123.2	62%	0.621	73%	0.73	S	S	*	*			trans	-143.5	141.7	-165.1	-33.9	178	0	0	0	106.9	L347	I345-L347 HydrophobicContact CG2-CD1 3.62Å; I345-L347 HydrophobicContact CG2-CG 4.12Å
346	H	27.4	Very low	27.1	Very low	167 Å²	167	122.8 Å²	122.8	77%	0.773	73%	0.728	S	S	*	*				-156.6	162.6	55.4	-65.6	77.2	0	0	0	111.1
347	L	32.6	Very low	27.1	Very low	141 Å²	141	124.4 Å²	124.4	74%	0.738	73%	0.728	S	S	*	*			cis	87.6	135	20.5	-59	-175	0	0	0	115.1	I345	I345-L347 HydrophobicContact CG2-CD1 3.62Å; I345-L347 HydrophobicContact CG2-CG 4.12Å
348	T	30.5	Very low	27	Very low	117 Å²	117	124.4 Å²	124.4	72%	0.718	72%	0.724	S	S	*	*			cis	-137.7	-175	6.7	48.7	0	0	0	0	110.3
349	K	28.1	Very low	27	Very low	152 Å²	152	126.9 Å²	126.9	66%	0.661	73%	0.727	S	S	*	*			cis	-159.7	152.8	20.5	-149.4	165.7	-163.2	-67.8	0	114.2
350	E	28.3	Very low	27.1	Very low	156 Å²	156	126.1 Å²	126.1	73%	0.729	73%	0.727	S	S	*	*			trans	3.4	156.1	160.9	-64.2	136.7	-134.7	0	0	122.6
351	G	24.3	Very low	26.9	Very low	77 Å²	77	126 Å²	126	79%	0.794	73%	0.725	S	S	*	*			cis	-178.6	177.4	4.2	0	0	0	0	0	115.1
352	Q	22.1	Very low	26.8	Very low	180 Å²	180	128.6 Å²	128.6	84%	0.841	73%	0.73	S	S	*	*			trans	-115.7	175.6	179.5	-88.6	-89.4	-24.5	0	0	108.8
353	P	37.8	Very low	26.6	Very low	105 Å²	105	126.4 Å²	126.4	68%	0.682	73%	0.728	S	S	*	*			cis	-151	174.2	30.4	42.5	-19.7	0	0	0	121.5
354	S	24.6	Very low	26.6	Very low	89 Å²	89	126.7 Å²	126.7	62%	0.622	73%	0.73	S	S	*	*			trans	76.2	126.9	135.1	61.5	0	0	0	0	125.7
355	S	25.4	Very low	26.5	Very low	98 Å²	98	128.6 Å²	128.6	69%	0.685	74%	0.737	S	S	*	*				86.7	100.5	125.3	64.5	0	0	0	0	125.1
356	T	24	Very low	26.2	Very low	133 Å²	133	128.4 Å²	128.4	82%	0.816	75%	0.747	S	S	*	*				78.5	152.9	115.2	-45.9	0	0	0	0	121.7
357	S	23.6	Very low	26.1	Very low	107 Å²	107	127.5 Å²	127.5	75%	0.748	75%	0.753	S	S	*	*			trans	85.8	143.9	165.2	86	0	0	0	0	117
358	T	23.7	Very low	25.8	Very low	115 Å²	115	127 Å²	127	71%	0.706	76%	0.756	S	S	*	*			cis	-155.6	166.4	-33.9	-29	0	0	0	0	110.3
359	Q	26	Very low	25.6	Very low	170 Å²	170	130.1 Å²	130.1	79%	0.794	76%	0.762	S	S	*	*			trans	56.5	105.1	152.9	-79.8	160.1	-4.5	0	0	120
360	S	25.4	Very low	25.5	Very low	103 Å²	103	131.9 Å²	131.9	72%	0.72	77%	0.773	S	S	*	*				99.2	-179.1	88.7	79.2	0	0	0	0	113.8
361	L	25.2	Very low	25.4	Very low	124 Å²	124	133 Å²	133	65%	0.649	78%	0.778	S	S	*	*			cis	-159.3	156.5	4.4	-132.3	-170.9	0	0	0	110.4
362	Y	24.6	Very low	25.5	Very low	203 Å²	203	136.1 Å²	136.1	80%	0.796	78%	0.776	S	S	*	*			trans	58.4	159.5	166.9	-67.7	-54.6	0	0	0	119.3
363	S	23.5	Very low	25.7	Very low	98 Å²	98	136.5 Å²	136.5	69%	0.685	78%	0.78	S	S	*	*			cis	-157	122.1	-3	22.8	0	0	0	0	108.2
364	S	25.8	Very low	25.3	Very low	114 Å²	114	136.4 Å²	136.4	80%	0.797	78%	0.782	S	S	*	*				79	111.4	81	76.8	0	0	0	0	117.6
365	S	24.3	Very low	25.4	Very low	130 Å²	130	140.7 Å²	140.7	91%	0.909	80%	0.797	S	S	*	*			trans	-159	137.5	152.7	59.7	0	0	0	0	109.9
366	S	23.2	Very low	25.7	Very low	118 Å²	118	143.8 Å²	143.8	83%	0.825	80%	0.8	S	S	*	*			trans	-117.2	153.7	-163.9	50.4	0	0	0	0	115.2
367	V	25.2	Very low	25.9	Very low	147 Å²	147	142.5 Å²	142.5	89%	0.891	80%	0.796	S	S	*	*			trans	-137.7	148.3	164.8	-177.3	0	0	0	0	108.2
368	T	25.7	Very low	26.1	Very low	131 Å²	131	143.7 Å²	143.7	80%	0.804	80%	0.798	S	S	*	*			trans	-84.3	150.1	-165.5	46.1	0	0	0	0	115.5	E370	T368-E370 PolarHBondContact O-N 3.49Å
369	E	27.8	Very low	26.8	Very low	182 Å²	182	141.3 Å²	141.3	85%	0.85	78%	0.78	S	S	*	*	S	Bend	trans	-77.4	99.4	175.8	-66.7	-174.6	111.2	0	0	113
370	E	26	Very low	27.1	Very low	189 Å²	189	141.2 Å²	141.2	88%	0.883	78%	0.779	S	S	*	*			trans	-143.5	20.6	158.8	-145.7	177.4	-159.4	0	0	113.4	T368	T368-E370 PolarHBondContact O-N 3.49Å
371	Q	25.6	Very low	27.8	Very low	181 Å²	181	139.7 Å²	139.7	85%	0.846	77%	0.766	S	S	*	*			trans	-140	74.4	-177.3	-70.5	-172.6	-16.9	0	0	112.6
372	L	26.3	Very low	28.2	Very low	141 Å²	141	141.2 Å²	141.2	74%	0.738	78%	0.775	S	S	*	*			trans	-144.4	17.1	-179.2	-117.2	159.1	0	0	0	116.3
373	M	27	Very low	28.9	Very low	189 Å²	189	133.4 Å²	133.4	93%	0.931	76%	0.755	S	S	*	*	S	Bend	trans	-124.4	19.1	177.6	-79.1	-86.5	78.7	0	0	114.8
374	S	28.8	Very low	29.7	Very low	103 Å²	103	136.7 Å²	136.7	72%	0.72	76%	0.762	S	S	*	*			trans	-130.5	46.5	-178.6	64.2	0	0	0	0	113.3	E376	S374-E376 PolarHBondContact O-N 3.18Å; S374-E376 VanDerWaalsContact O-N 3.08Å
375	L	26.6	Very low	30.8	Very low	179 Å²	179	134.1 Å²	134.1	94%	0.937	74%	0.737	S	S	*	*			trans	-83.4	63.2	170.9	-154.3	78.8	0	0	0	111
376	E	30.6	Very low	31.7	Very low	162 Å²	162	133.7 Å²	133.7	76%	0.757	72%	0.721	S	S	*	*			trans	-59.8	143.9	159.2	-75.1	-162.7	122.1	0	0	108.8	S374 V378	S374-E376 PolarHBondContact O-N 3.18Å; S374-E376 VanDerWaalsContact O-N 3.08Å; E376-V378 VanDerWaalsContact C-N 3.29Å; E376-V378 PolarHBondContact O-N 3.08Å
377	C	28.1	Very low	32.2	Very low	107 Å²	107	134.7 Å²	134.7	72%	0.723	71%	0.713	S	S	*	*			trans	-71.2	88.4	175.3	-171.7	0	0	0	0	109.3	M379	C377-M379 VanDerWaalsContact C-N 3.25Å; C377-M379 PolarHBondContact O-N 3.19Å
378	V	29.5	Very low	32.7	Very low	132 Å²	132	131.3 Å²	131.3	80%	0.8	69%	0.689	S	S	*	*			trans	-66.3	87.7	174.8	-178.4	0	0	0	0	108.5	E376 Q380	E376-V378 VanDerWaalsContact C-N 3.29Å; E376-V378 PolarHBondContact O-N 3.08Å; V378-Q380 PolarHBondContact O-N 3.39Å; V378-Q380 VanDerWaalsContact O-N 3.15Å
379	M	38.3	Very low	32.8	Very low	65 Å²	65	129.3 Å²	129.3	32%	0.32	68%	0.679	S	S	.	*			trans	-61.6	116.4	172.5	-64.5	-174.2	73.1	0	0	108.5	C377 V381 Y738	C377-M379 VanDerWaalsContact C-N 3.25Å; C377-M379 PolarHBondContact O-N 3.19Å; M379-V381 PolarHBondContact O-N 3.46Å; M379-Y738 HydrophobicContact CE-CE1 4.25Å
380	Q	31.3	Very low	33.1	Very low	167 Å²	167	126.6 Å²	126.6	78%	0.78	67%	0.67	S	S	*	*			trans	-60	111.1	160.4	-70.9	-178.2	-2.6	0	0	107.2	V378 D382	V378-Q380 PolarHBondContact O-N 3.39Å; V378-Q380 VanDerWaalsContact O-N 3.15Å; Q380-D382 PolarHBondContact O-N 2.97Å
381	V	41.1	Very low	33.3	Very low	72 Å²	72	125.5 Å²	125.5	44%	0.436	67%	0.665	S	S	.	*			trans	-78.4	73.9	175.3	-174.4	0	0	0	0	107.4	M379 G383	M379-V381 PolarHBondContact O-N 3.46Å; V381-G383 PolarHBondContact O-N 3.4Å
382	D	32.7	Very low	33.8	Very low	156 Å²	156	123.7 Å²	123.7	83%	0.834	66%	0.66	S	S	*	*			trans	-64.5	83.6	173.7	-100.6	-2.1	0	0	0	109.2	Q380	Q380-D382 PolarHBondContact O-N 2.97Å
383	G	40.3	Very low	34.4	Very low	38 Å²	38	121.1 Å²	121.1	39%	0.392	64%	0.644	S	S	.	*			trans	158.1	61.7	-159.3	0	0	0	0	0	111.6	V381 E385	V381-G383 PolarHBondContact O-N 3.4Å; G383-E385 PolarHBondContact O-N 3.1Å
384	M	39.7	Very low	34.6	Very low	167 Å²	167	117.6 Å²	117.6	82%	0.823	63%	0.629	S	S	*	*			trans	-41.1	136.4	150.7	-172.7	176.8	-172.9	0	0	108.3	E386	M384-E386 PolarHBondContact O-N 3.2Å
385	E	49.4	Very low	34.7	Very low	60 Å²	60	115.4 Å²	115.4	28%	0.28	62%	0.618	S	S	.	*			trans	-67.7	85.5	176.3	-70	-171	143.7	0	0	108.4	G383 E387 S513	G383-E385 PolarHBondContact O-N 3.1Å; E385-E387 PolarHBondContact O-N 3.19Å; E385-E387 VanDerWaalsContact O-N 3.12Å; E385-S513 PolarHBondContact OE1-OG 2.97Å; E385-S513 PolarHBondContact OE2-N 3.24Å
386	E	41.8	Very low	35.2	Very low	122 Å²	122	112.2 Å²	112.2	57%	0.57	60%	0.596	S	S	*	*			trans	-43.3	112.2	-171.1	-177.3	-177.5	-136.3	0	0	111	M384 L388 R536	M384-E386 PolarHBondContact O-N 3.2Å; E386-L388 PolarHBondContact O-N 3.13Å; E386-R536 IonicContact OE2-CZ 2.88Å; E386-R536 IonicContact OE2-NH1 3.6Å; E386-R536 IonicContact OE2-NH2 3.14Å; E386-R536 PolarHBondContact OE2-NH2 3.31Å; E386-R536 VanDerWaalsContact OE2-NH2 3.15Å
387	E	34.2	Very low	35.1	Very low	139 Å²	139	108.6 Å²	108.6	65%	0.65	59%	0.589	S	S	*	*			trans	-74.2	89.9	-167.8	-170.4	151.3	-107.5	0	0	110.9	E385 K512	E385-E387 PolarHBondContact O-N 3.19Å; E385-E387 VanDerWaalsContact O-N 3.12Å; E387-K512 IonicContact OE1-NZ 3.03Å; E387-K512 PolarHBondContact OE1-NZ 2.9Å
388	L	36.5	Very low	35.3	Very low	75 Å²	75	108.6 Å²	108.6	39%	0.393	58%	0.582	S	S	.	*			trans	-72.4	136.9	165.9	-66	175.9	0	0	0	109.1	E386 D390	E386-L388 PolarHBondContact O-N 3.13Å; L388-D390 PolarHBondContact O-N 3.47Å
389	P	28.3	Very low	35.3	Very low	90 Å²	90	110.2 Å²	110.2	58%	0.584	59%	0.586	S	S	*	*			trans	-60.9	133.2	169.1	-22	33.2	0	0	0	110.9	E391 L392	P389-E391 PolarHBondContact O-N 3.27Å; P389-L392 PolarHBondContact O-N 2.79Å; P389-L392 VanDerWaalsContact O-N 3.17Å
390	D	32.8	Very low	35	Very low	125 Å²	125	114.2 Å²	114.2	67%	0.668	61%	0.609	S	S	*	*	G	3₁₀ helix	trans	-55.7	-24.8	-179	-62.2	-53.1	0	0	0	112.8	L388 L392 E393 N394	L388-D390 PolarHBondContact O-N 3.47Å; D390-L392 PolarHBondContact O-N 2.82Å; D390-L392 VanDerWaalsContact O-N 3.08Å; D390-E393 PolarHBondContact O-N 3.16Å; D390-E393 VanDerWaalsContact O-N 3.12Å; D390-N394 PolarHBondContact O-N 3.18Å; D390-N394 PolarHBondContact O-ND2 2.81Å
391	E	31.3	Very low	35	Very low	166 Å²	166	114.4 Å²	114.4	78%	0.776	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-51.4	-29.7	176.1	-61.3	-169.9	141.8	0	0	114.4	P389	P389-E391 PolarHBondContact O-N 3.27Å
392	L	35.3	Very low	34.6	Very low	143 Å²	143	116.7 Å²	116.7	75%	0.749	63%	0.634	S	S	*	*	G	3₁₀ helix	trans	-88.6	-14.9	-177.5	-149.5	72.4	0	0	0	114.3	P389 D390	P389-L392 PolarHBondContact O-N 2.79Å; P389-L392 VanDerWaalsContact O-N 3.17Å; D390-L392 PolarHBondContact O-N 2.82Å; D390-L392 VanDerWaalsContact O-N 3.08Å
393	E	39.2	Very low	34.4	Very low	86 Å²	86	117.8 Å²	117.8	40%	0.402	63%	0.634	S	S	.	*	T	Hydrogen-bonded Turn	trans	-98.3	-16.7	168.5	-63.3	-158.3	166.3	0	0	112.4	D390 A395 F396	D390-E393 PolarHBondContact O-N 3.16Å; D390-E393 VanDerWaalsContact O-N 3.12Å; E393-A395 PolarHBondContact O-N 3.34Å; E393-A395 VanDerWaalsContact O-N 3.09Å; E393-F396 HydrophobicContact CB-CD2 4.46Å; E393-F396 VanDerWaalsContact O-CD2 3.28Å; E393-F396 WeakPolarHBondContact O-CD2 3.5Å; E393-F396 PolarHBondContact O-N 3.35Å; E393-F396 VanDerWaalsContact O-N 3.1Å
394	N	30.5	Very low	33.8	Very low	115 Å²	115	121.4 Å²	121.4	62%	0.615	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-60.2	-19.2	171.1	-77.1	-29.9	0	0	0	113.9	D390 F396 S397	D390-N394 PolarHBondContact O-N 3.18Å; D390-N394 PolarHBondContact O-ND2 2.81Å; N394-F396 PolarHBondContact O-N 2.99Å; N394-S397 PolarHBondContact O-N 2.82Å
395	A	30.8	Very low	33.1	Very low	58 Å²	58	125.2 Å²	125.2	48%	0.479	66%	0.659	S	S	.	*	G	3₁₀ helix	trans	-70	14.5	170.5	0	0	0	0	0	115.1	E393	E393-A395 PolarHBondContact O-N 3.34Å; E393-A395 VanDerWaalsContact O-N 3.09Å
396	F	37.4	Very low	32	Very low	111 Å²	111	127.5 Å²	127.5	49%	0.487	68%	0.682	S	S	.	*	G	3₁₀ helix	trans	-91.7	-11.9	167	-79.7	-71.3	0	0	0	114.3	E393 N394 A593 R594	E393-F396 HydrophobicContact CB-CD2 4.46Å; E393-F396 VanDerWaalsContact O-CD2 3.28Å; E393-F396 WeakPolarHBondContact O-CD2 3.5Å; E393-F396 PolarHBondContact O-N 3.35Å; E393-F396 VanDerWaalsContact O-N 3.1Å; N394-F396 PolarHBondContact O-N 2.99Å; F396-A593 HydrophobicContact CE1-CB 3.96Å; F396-A593 HydrophobicContact CZ-CB 3.72Å; F396-R594 PolarHBondContact O-NH2 2.99Å; F396-R594 VanDerWaalsContact O-NH2 3.09Å
397	S	29.1	Very low	31.5	Very low	86 Å²	86	129.2 Å²	129.2	60%	0.601	69%	0.693	S	S	*	*	S	Bend	trans	-79.1	136.3	158.9	-161.2	0	0	0	0	109.4	N394	N394-S397 PolarHBondContact O-N 2.82Å
398	D	31.9	Very low	31.2	Very low	107 Å²	107	130.5 Å²	130.5	57%	0.572	70%	0.703	S	S	*	*			trans	-97.5	111	167.5	-71.8	3.9	0	0	0	107	D400 R594	D398-D400 PolarHBondContact O-N 2.97Å; D398-D400 VanDerWaalsContact O-N 3.13Å; D398-R594 IonicContact OD1-CZ 3.99Å; D398-R594 VanDerWaalsContact OD1-CZ 3.22Å; D398-R594 IonicContact OD1-NH1 3.79Å; D398-R594 PolarHBondContact OD1-NH1 3.05Å; D398-R594 IonicContact OD1-NH2 3.68Å; D398-R594 PolarHBondContact OD1-NH2 3.02Å; D398-R594 IonicContact OD2-NH1 3.29Å
399	D	29.7	Very low	30.7	Very low	166 Å²	166	137.7 Å²	137.7	89%	0.888	73%	0.725	S	S	*	*			trans	-72.1	94.9	166.6	-76.4	-56.6	0	0	0	109.1
400	D	32.4	Very low	30.6	Very low	150 Å²	150	138.6 Å²	138.6	80%	0.802	73%	0.733	S	S	*	*			trans	-153.9	43.6	168.5	-151.4	15.1	0	0	0	111.7	D398	D398-D400 PolarHBondContact O-N 2.97Å; D398-D400 VanDerWaalsContact O-N 3.13Å
401	D	31.2	Very low	30.3	Very low	171 Å²	171	139 Å²	139	91%	0.914	75%	0.745	S	S	*	*			trans	-142.1	76.6	172.8	-95.9	-44.3	0	0	0	108.9
402	S	31.5	Very low	30.3	Very low	119 Å²	119	136.3 Å²	136.3	83%	0.832	75%	0.745	S	S	*	*			trans	-134.9	66	-175	177.7	0	0	0	0	113.7
403	E	29.3	Very low	29.9	Very low	180 Å²	180	135 Å²	135	84%	0.841	75%	0.748	S	S	*	*	S	Bend	trans	-134.6	160.9	147.5	-75.6	-151.4	150.4	0	0	111.1
404	C	27.5	Very low	29.8	Very low	114 Å²	114	138.7 Å²	138.7	77%	0.77	77%	0.771	S	S	*	*			trans	64.6	58.7	169.9	-68.3	0	0	0	0	119
405	Y	25.6	Very low	29.6	Very low	246 Å²	246	139.5 Å²	139.5	97%	0.965	78%	0.78	S	S	*	*			trans	-133.2	72.5	150.6	-96	-72.9	0	0	0	114.8
406	S	26.8	Very low	29.5	Very low	109 Å²	109	142.1 Å²	142.1	76%	0.762	80%	0.795	S	S	*	*			trans	-148.9	122.8	150.7	62.7	0	0	0	0	105.8
407	I	29.3	Very low	29	Very low	157 Å²	157	144.5 Å²	144.5	81%	0.805	81%	0.811	S	S	*	*			cis	-141.1	149.1	43.9	-71.7	153.9	0	0	0	110
408	I	29	Very low	29.1	Very low	166 Å²	166	146 Å²	146	85%	0.851	82%	0.819	S	S	*	*				-172.2	136.9	120.9	-91.7	161.2	0	0	0	108.2
409	R	26.1	Very low	29	Very low	227 Å²	227	146.8 Å²	146.8	86%	0.857	83%	0.831	S	S	*	*			trans	-128.9	127.1	173.6	-150.8	179	-169.7	175.8	3.6	108.5
410	S	26	Very low	29	Very low	109 Å²	109	147.3 Å²	147.3	76%	0.762	83%	0.832	S	S	*	*			trans	61.1	105.6	161.7	-51.9	0	0	0	0	119.7
411	S	25.8	Very low	29	Very low	132 Å²	132	144.8 Å²	144.8	92%	0.923	83%	0.826	S	S	*	*				-168	170.2	114.6	58	0	0	0	0	110.9
412	S	31.3	Very low	28.9	Very low	111 Å²	111	141.7 Å²	141.7	78%	0.776	82%	0.818	S	S	*	*			trans	-117.8	134.9	-162.1	54.2	0	0	0	0	114.4
413	S	28.1	Very low	28.9	Very low	116 Å²	116	143.9 Å²	143.9	81%	0.811	82%	0.819	S	S	*	*			trans	176.3	167	133.4	51.1	0	0	0	0	111.4
414	D	37.5	Very low	29.2	Very low	162 Å²	162	143.4 Å²	143.4	87%	0.866	82%	0.816	S	S	*	*			trans	-55.8	134.5	-175.5	-75.9	-71.9	0	0	0	115.4
415	T	25.4	Very low	29.8	Very low	132 Å²	132	142.8 Å²	142.8	81%	0.81	80%	0.802	S	S	*	*			trans	-163	154.9	150.1	-3.5	0	0	0	0	111.1
416	S	29.4	Very low	30.1	Very low	113 Å²	113	137.3 Å²	137.3	79%	0.79	80%	0.797	S	S	*	*			trans	-75	124.8	177.2	52.5	0	0	0	0	112.2
417	I	27.2	Very low	30.7	Very low	162 Å²	162	137.4 Å²	137.4	83%	0.831	79%	0.786	S	S	*	*			trans	-71.2	132	175.7	-57.9	177.5	0	0	0	110
418	P	31.1	Very low	31	Very low	117 Å²	117	136.2 Å²	136.2	76%	0.76	79%	0.786	S	S	*	*			trans	-76.2	-177.8	-179.6	32.2	-36.7	0	0	0	113.7
419	C	28.1	Very low	31.5	Very low	124 Å²	124	136 Å²	136	84%	0.838	79%	0.786	S	S	*	*			trans	-59.7	153.5	-173.7	-71.7	0	0	0	0	114.9	S421	C419-S421 PolarHBondContact O-N 2.85Å
420	I	30.6	Very low	32	Very low	177 Å²	177	127.6 Å²	127.6	91%	0.908	77%	0.77	S	S	*	*			trans	-77.5	116.3	164	-58.8	170.2	0	0	0	107.7
421	S	31.7	Very low	32.9	Very low	97 Å²	97	125.3 Å²	125.3	68%	0.678	76%	0.758	S	S	*	*			trans	-125.6	172.9	164.4	60.2	0	0	0	0	109.4	C419	C419-S421 PolarHBondContact O-N 2.85Å
422	S	30.8	Very low	34	Very low	106 Å²	106	125.3 Å²	125.3	74%	0.741	74%	0.743	S	S	*	*			trans	70.3	65.6	173.7	-49.1	0	0	0	0	116.2
423	I	31.2	Very low	35.2	Very low	165 Å²	165	127.5 Å²	127.5	85%	0.846	75%	0.746	S	S	*	*				-135.5	124.3	117.7	-82.6	162.6	0	0	0	105
424	E	35.3	Very low	36.9	Very low	169 Å²	169	128.9 Å²	128.9	79%	0.79	75%	0.745	S	S	*	*			trans	-91.3	118.3	179.2	-67.9	178.4	155.8	0	0	110.2
425	E	40.3	Very low	38.8	Very low	101 Å²	101	125.6 Å²	125.6	47%	0.472	72%	0.72	S	S	.	*			trans	-65.6	151.3	147.7	-75.9	-177.7	95.4	0	0	107.7	M427 H487	E425-M427 PolarHBondContact O-N 3.3Å; E425-H487 IonicContact OE2-CE1 3.62Å; E425-H487 PolarHBondContact OE2-CE1 2.93Å; E425-H487 VanDerWaalsContact OE2-CE1 3.27Å; E425-H487 IonicContact OE2-ND1 3.38Å; E425-H487 PolarHBondContact OE2-ND1 3.15Å
426	P	32.1	Very low	41.6	Very low	131 Å²	131	124.2 Å²	124.2	85%	0.851	70%	0.704	S	S	*	*			trans	-64.7	94.3	-175.4	26.3	-35	0	0	0	111.2	V428	P426-V428 PolarHBondContact O-N 2.91Å
427	M	37.5	Very low	44.4	Very low	111 Å²	111	124 Å²	124	55%	0.547	69%	0.691	S	S	.	*			trans	-70.3	122	178.9	-69.3	-175	66.3	0	0	109.9	E425 L429	E425-M427 PolarHBondContact O-N 3.3Å; M427-L429 VanDerWaalsContact C-N 3.34Å; M427-L429 HydrophobicContact CB-CD2 4.2Å; M427-L429 HydrophobicContact CB-CG 4.32Å; M427-L429 HydrophobicContact CE-CD2 4.24Å; M427-L429 PolarHBondContact O-N 3.15Å
428	V	36.3	Very low	47.6	Very low	133 Å²	133	120.2 Å²	120.2	81%	0.806	67%	0.666	S	S	*	*			trans	-69.1	98.2	159.7	178.3	0	0	0	0	106.5	P426 G430	P426-V428 PolarHBondContact O-N 2.91Å; V428-G430 VanDerWaalsContact C-N 3.29Å; V428-G430 PolarHBondContact O-N 3.41Å
429	L	39.8	Very low	50.7	Low	160 Å²	160	118.1 Å²	118.1	84%	0.838	65%	0.653	S	S	*	*			trans	-76.2	81.1	179.2	-70.9	173.7	0	0	0	110.3	M427	M427-L429 VanDerWaalsContact C-N 3.34Å; M427-L429 HydrophobicContact CB-CD2 4.2Å; M427-L429 HydrophobicContact CB-CG 4.32Å; M427-L429 HydrophobicContact CE-CD2 4.24Å; M427-L429 PolarHBondContact O-N 3.15Å
430	G	36.8	Very low	53.9	Low	52 Å²	52	112.4 Å²	112.4	54%	0.536	61%	0.614	S	S	.	*	S	Bend	trans	-172.9	133.8	173.2	0	0	0	0	0	110.7	V428	V428-G430 VanDerWaalsContact C-N 3.29Å; V428-G430 PolarHBondContact O-N 3.41Å
431	A	43.7	Very low	57	Low	60 Å²	60	106.1 Å²	106.1	50%	0.496	58%	0.582	S	S	.	*			trans	58.8	79.9	-179.4	0	0	0	0	0	115.6	D433 D434	A431-D433 PolarHBondContact O-N 2.59Å; A431-D434 HydrophobicContact CB-CB 4.2Å
432	E	50.2	Low	60	Low	133 Å²	133	103 Å²	103	62%	0.621	56%	0.559	S	S	*	*	S	Bend	trans	-71.5	-14.1	165.2	-83.1	-69.2	93.7	0	0	113.4	R435	E432-R435 IonicContact OE1-CZ 2.9Å; E432-R435 IonicContact OE1-NE 2.72Å; E432-R435 PolarHBondContact OE1-NE 2.89Å; E432-R435 IonicContact OE1-NH2 3.27Å; E432-R435 PolarHBondContact OE1-NH2 3.15Å
433	D	55.7	Low	63.1	Low	156 Å²	156	102.5 Å²	102.5	83%	0.834	55%	0.553	S	S	*	*	S	Bend	trans	-100.7	-19	-168.4	-140.3	24.7	0	0	0	114	A431 R435	A431-D433 PolarHBondContact O-N 2.59Å; D433-R435 VanDerWaalsContact C-N 3.26Å; D433-R435 PolarHBondContact O-N 3.12Å
434	D	64.1	Low	66.2	Low	146 Å²	146	95.6 Å²	95.6	78%	0.781	52%	0.52	S	S	*	.			trans	-80.7	5	-179.7	-83.3	-35.2	0	0	0	114.2	A431 E436	A431-D434 HydrophobicContact CB-CB 4.2Å; D434-E436 PolarHBondContact O-N 3.26Å
435	R	77.8	Confident	69.1	Low	92 Å²	92	90.2 Å²	90.2	35%	0.347	50%	0.496	S	S	.	.	S	Bend	trans	-77.7	118.2	-177.8	-59.8	-173.1	-166.2	-126.5	7.4	110.9	E432 D433 E437 A458 K461	E432-R435 IonicContact OE1-CZ 2.9Å; E432-R435 IonicContact OE1-NE 2.72Å; E432-R435 PolarHBondContact OE1-NE 2.89Å; E432-R435 IonicContact OE1-NH2 3.27Å; E432-R435 PolarHBondContact OE1-NH2 3.15Å; D433-R435 VanDerWaalsContact C-N 3.26Å; D433-R435 PolarHBondContact O-N 3.12Å; R435-E437 PolarHBondContact O-N 2.86Å; R435-E437 VanDerWaalsContact O-N 3.15Å; R435-A458 PolarHBondContact NH1-O 3.47Å; R435-K461 HydrophobicContact CB-CB 4.12Å
436	E	83.9	Confident	71.8	Confident	103 Å²	103	85.6 Å²	85.6	48%	0.481	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-50.7	119.5	176.7	-170.7	-170.2	-166.2	0	0	111.3	D434 R438 K461	D434-E436 PolarHBondContact O-N 3.26Å; E436-R438 VanDerWaalsContact CD-NE 3.31Å; E436-R438 IonicContact OE1-CZ 3.08Å; E436-R438 IonicContact OE1-NE 2.67Å; E436-R438 PolarHBondContact OE1-NE 2.97Å; E436-R438 IonicContact OE1-NH1 2.79Å; E436-R438 PolarHBondContact OE1-NH1 2.85Å; E436-R438 IonicContact OE1-NH2 3.97Å; E436-R438 PolarHBondContact OE1-NH2 2.91Å; E436-R438 IonicContact OE2-CZ 2.69Å; E436-R438 IonicContact OE2-NE 3.7Å; E436-R438 PolarHBondContact OE2-NE 3.46Å; E436-R438 VanDerWaalsContact OE2-NE 3.11Å; E436-R438 IonicContact OE2-NH2 3.63Å; E436-R438 PolarHBondContact OE2-NH2 2.8Å; E436-K461 PolarHBondContact O-N 3.15Å
437	E	89.6	Confident	74.8	Confident	108 Å²	108	81.6 Å²	81.6	51%	0.505	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.2	-179.9	-172.2	150.8	-116.8	0	0	110.9	R435 K461	R435-E437 PolarHBondContact O-N 2.86Å; R435-E437 VanDerWaalsContact O-N 3.15Å; E437-K461 HydrophobicContact CB-CD 4.41Å; E437-K461 VanDerWaalsContact CD-NZ 3.27Å; E437-K461 HydrophobicContact CG-CD 4.41Å; E437-K461 WeakPolarHBondContact OE1-CD 3.37Å; E437-K461 WeakPolarHBondContact OE1-CE 3.32Å; E437-K461 IonicContact OE1-NZ 2.73Å; E437-K461 PolarHBondContact OE1-NZ 3.4Å; E437-K461 IonicContact OE2-NZ 3.74Å; E437-K461 PolarHBondContact OE2-NZ 2.72Å
438	R	93.6	Very high	77.5	Confident	84 Å²	84	81.9 Å²	81.9	32%	0.317	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	138.7	-176.9	-62.3	-64.3	-164.1	171.5	-4.2	110.3	E436 Y454 E460 K461 E463	E436-R438 VanDerWaalsContact CD-NE 3.31Å; E436-R438 IonicContact OE1-CZ 3.08Å; E436-R438 IonicContact OE1-NE 2.67Å; E436-R438 PolarHBondContact OE1-NE 2.97Å; E436-R438 IonicContact OE1-NH1 2.79Å; E436-R438 PolarHBondContact OE1-NH1 2.85Å; E436-R438 IonicContact OE1-NH2 3.97Å; E436-R438 PolarHBondContact OE1-NH2 2.91Å; E436-R438 IonicContact OE2-CZ 2.69Å; E436-R438 IonicContact OE2-NE 3.7Å; E436-R438 PolarHBondContact OE2-NE 3.46Å; E436-R438 VanDerWaalsContact OE2-NE 3.11Å; E436-R438 IonicContact OE2-NH2 3.63Å; E436-R438 PolarHBondContact OE2-NH2 2.8Å; R438-Y454 HydrophobicContact CB-CD1 3.75Å; R438-Y454 HydrophobicContact CB-CE1 3.35Å; R438-Y454 HydrophobicContact CG-CE1 3.71Å; R438-E460 HydrophobicContact CG-CB 4.27Å; R438-E460 HydrophobicContact CG-CG 4.41Å; R438-E460 IonicContact NE-OE1 3.94Å; R438-K461 PolarHBondContact N-O 2.77Å; R438-E463 WeakPolarHBondContact O-CB 3.33Å; R438-E463 PolarHBondContact O-N 2.99Å
439	P	95.1	Very high	80.2	Confident	73 Å²	73	76.9 Å²	76.9	47%	0.474	42%	0.42	S	S	.	.			trans	-63.7	141.1	179.6	27.7	-35.2	0	0	0	110.7	L441 Y454 E463	P439-L441 VanDerWaalsContact C-N 3.28Å; P439-L441 PolarHBondContact O-N 3Å; P439-Y454 VanDerWaalsContact O-CB 3.26Å; P439-Y454 WeakPolarHBondContact O-CB 3.29Å; P439-E463 WeakPolarHBondContact CA-OE2 3.29Å
440	A	95.6	Very high	82.6	Confident	4 Å²	4	73.4 Å²	73.4	3%	0.033	40%	0.396	C	S	.	.	S	Bend	trans	-76.5	-18.6	-175.5	0	0	0	0	0	113.5	L453 Y454 V462 E463 L465	A440-L453 WeakPolarHBondContact O-CA 3.33Å; A440-Y454 PolarHBondContact O-N 3.46Å; A440-V462 HydrophobicContact CB-CG1 3.88Å; A440-E463 HydrophobicContact CB-CB 4.07Å; A440-E463 WeakPolarHBondContact CB-O 3.41Å; A440-E463 PolarHBondContact N-OE2 2.71Å; A440-L465 HydrophobicContact CB-CD1 4.36Å; A440-L465 HydrophobicContact CB-CD2 3.53Å; A440-L465 HydrophobicContact CB-CG 3.61Å
441	L	96.1	Very high	85.4	Confident	44 Å²	44	73.4 Å²	73.4	23%	0.23	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.5	173.5	-73.6	168.9	0	0	0	109.9	P439 P443 P451 L453 L465 I806	P439-L441 VanDerWaalsContact C-N 3.28Å; P439-L441 PolarHBondContact O-N 3Å; L441-P443 WeakPolarHBondContact O-CD 3.29Å; L441-P451 HydrophobicContact CB-CB 4.3Å; L441-P451 HydrophobicContact CD1-CG 4.48Å; L441-P451 HydrophobicContact CD2-CB 4.26Å; L441-P451 HydrophobicContact CD2-CG 4.22Å; L441-L453 HydrophobicContact CD2-CD2 3.97Å; L441-L453 HydrophobicContact CD2-CG 4.46Å; L441-L465 HydrophobicContact CD1-CD2 4.02Å; L441-L465 HydrophobicContact CG-CD2 4.03Å; L441-I806 HydrophobicContact CD2-CD1 4.06Å; L441-I806 HydrophobicContact CD2-CG1 4.42Å
442	V	95.6	Very high	87.9	Confident	31 Å²	31	70.5 Å²	70.5	19%	0.188	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	117.2	167.5	-170.2	0	0	0	0	107.7	P451 T452 Y454 R884	V442-P451 WeakPolarHBondContact O-CA 3.33Å; V442-P451 VanDerWaalsContact O-CB 3.24Å; V442-P451 WeakPolarHBondContact O-CB 3.29Å; V442-T452 PolarHBondContact N-O 3.24Å; V442-T452 PolarHBondContact O-N 2.76Å; V442-Y454 HydrophobicContact CG2-CD2 4.04Å; V442-Y454 HydrophobicContact CG2-CG 4.43Å; V442-R884 HydrophobicContact CG1-CG 4.46Å
443	P	95.8	Very high	90.1	Very high	96 Å²	96	64.4 Å²	64.4	62%	0.623	33%	0.334	S	S	*	.	P	Polyproline II helix	trans	-64.3	155.1	172.7	28.4	-34.2	0	0	0	110.8	L441	L441-P443 WeakPolarHBondContact O-CD 3.29Å
444	S	96.4	Very high	92.1	Very high	21 Å²	21	58.4 Å²	58.4	15%	0.147	30%	0.3	C	S	.	.	P	Polyproline II helix	trans	-74.5	151.7	169.2	-169.5	0	0	0	0	110.1	F446 D880	S444-F446 PolarHBondContact O-N 3.03Å; S444-F446 PolarHBondContact OG-N 3.34Å; S444-D880 WeakPolarHBondContact CA-OD1 3.36Å; S444-D880 PolarHBondContact OG-OD1 3.21Å; S444-D880 PolarHBondContact OG-OD2 2.95Å
445	L	95.9	Very high	93.7	Very high	55 Å²	55	51.4 Å²	51.4	29%	0.288	26%	0.262	S	S	.	.	S	Bend	trans	-62.7	-16.9	167.6	-64.8	178.8	0	0	0	112.6	D880 N883 I929	L445-D880 PolarHBondContact N-OD1 3.07Å; L445-N883 HydrophobicContact CD1-CB 3.83Å; L445-N883 HydrophobicContact CG-CB 4.48Å; L445-I929 HydrophobicContact CB-CG2 4.48Å; L445-I929 HydrophobicContact CD1-CD1 4.15Å; L445-I929 HydrophobicContact CD1-CG2 4.38Å
446	F	97.1	Very high	94.4	Very high	4 Å²	4	47 Å²	47	2%	0.018	25%	0.246	C	C	.	.	S	Bend	trans	-117.7	128	-169.3	-54.1	-66.7	0	0	0	111.5	S444 M449 A876 E879 D880 I929 L932 R933 C936	S444-F446 PolarHBondContact O-N 3.03Å; S444-F446 PolarHBondContact OG-N 3.34Å; F446-M449 HydrophobicContact CB-CG 4.2Å; F446-M449 HydrophobicContact CB-SD 3.65Å; F446-M449 HydrophobicContact CD2-SD 4.13Å; F446-M449 HydrophobicContact CG-SD 4.24Å; F446-M449 PolarHBondContact O-N 3.12Å; F446-A876 HydrophobicContact CD2-CB 3.7Å; F446-A876 HydrophobicContact CE2-CB 4.06Å; F446-A876 VanDerWaalsContact CE2-O 3.25Å; F446-A876 WeakPolarHBondContact CE2-O 3.37Å; F446-A876 HydrophobicContact CG-CB 3.96Å; F446-E879 HydrophobicContact CE2-CB 3.75Å; F446-E879 HydrophobicContact CZ-CB 3.66Å; F446-E879 HydrophobicContact CZ-CG 4.2Å; F446-D880 HydrophobicContact CD2-CB 4.19Å; F446-D880 HydrophobicContact CE2-CB 4.05Å; F446-I929 HydrophobicContact CE1-CG2 4.06Å; F446-I929 HydrophobicContact CZ-CG1 4.48Å; F446-I929 HydrophobicContact CZ-CG2 4.29Å; F446-L932 HydrophobicContact CD1-CB 3.96Å; F446-L932 HydrophobicContact CE1-CB 3.49Å; F446-L932 VanDerWaalsContact CE1-CB 3.49Å; F446-L932 HydrophobicContact CE1-CD1 4.29Å; F446-L932 HydrophobicContact CZ-CB 4.22Å; F446-L932 HydrophobicContact CZ-CD1 4.19Å; F446-R933 HydrophobicContact CD1-CB 4.29Å; F446-C936 HydrophobicContact CB-CB 3.97Å
447	P	95	Very high	94.8	Very high	48 Å²	48	43.3 Å²	43.3	31%	0.312	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	150.7	174.6	-30.5	36.1	0	0	0	113.4	M449 R933 Q937	P447-M449 PolarHBondContact O-N 3.08Å; P447-M449 VanDerWaalsContact O-N 3.17Å; P447-R933 HydrophobicContact CG-CG 4.2Å; P447-Q937 HydrophobicContact CB-CB 4.41Å; P447-Q937 HydrophobicContact CG-CB 4.19Å
448	L	93.1	Very high	94.7	Very high	116 Å²	116	40.8 Å²	40.8	61%	0.607	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	25.2	179.2	-45.8	175.1	0	0	0	114	H941 L942	L448-H941 PolarHBondContact O-NE2 3.46Å; L448-H941 VanDerWaalsContact O-NE2 3.12Å; L448-L942 HydrophobicContact CB-CD1 4.26Å; L448-L942 HydrophobicContact CD1-CD1 4.15Å
449	M	92.5	Very high	94.4	Very high	28 Å²	28	42.8 Å²	42.8	14%	0.138	25%	0.245	C	C	.	.			trans	-110.4	141.3	168.1	-68.2	-170.6	62.7	0	0	111	F446 P447 A876 E877	F446-M449 HydrophobicContact CB-CG 4.2Å; F446-M449 HydrophobicContact CB-SD 3.65Å; F446-M449 HydrophobicContact CD2-SD 4.13Å; F446-M449 HydrophobicContact CG-SD 4.24Å; F446-M449 PolarHBondContact O-N 3.12Å; P447-M449 PolarHBondContact O-N 3.08Å; P447-M449 VanDerWaalsContact O-N 3.17Å; M449-A876 HydrophobicContact CE-CB 4.23Å; M449-A876 HydrophobicContact SD-CB 3.58Å; M449-A876 VanDerWaalsContact SD-CB 3.58Å; M449-E877 HydrophobicContact CE-CB 4.45Å; M449-E877 HydrophobicContact CE-CG 3.43Å; M449-E877 VanDerWaalsContact CE-CG 3.43Å
450	R	91.4	Very high	94.2	Very high	88 Å²	88	40.3 Å²	40.3	33%	0.332	23%	0.227	S	C	.	.			trans	-68.1	132.5	-176.6	-78.3	-162.6	-78.3	169.1	-16.3	111.6	H522 K805 I806	R450-H522 PolarHBondContact NH2-CE1 3.28Å; R450-H522 PolarHBondContact NH2-ND1 3.03Å; R450-H522 PolarHBondContact NH2-NE2 3.29Å; R450-K805 HydrophobicContact CB-CD 4.19Å; R450-K805 HydrophobicContact CB-CG 4.43Å; R450-I806 PolarHBondContact NH1-O 3.17Å
451	P	94.9	Very high	94.1	Very high	51 Å²	51	44.6 Å²	44.6	33%	0.331	25%	0.245	S	C	.	.			trans	-64.7	158.3	174.5	29.6	-36.4	0	0	0	111.9	L441 V442	L441-P451 HydrophobicContact CB-CB 4.3Å; L441-P451 HydrophobicContact CD1-CG 4.48Å; L441-P451 HydrophobicContact CD2-CB 4.26Å; L441-P451 HydrophobicContact CD2-CG 4.22Å; V442-P451 WeakPolarHBondContact O-CA 3.33Å; V442-P451 VanDerWaalsContact O-CB 3.24Å; V442-P451 WeakPolarHBondContact O-CB 3.29Å
452	T	96.3	Very high	94	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	146.1	178.7	53.3	0	0	0	0	111.4	V442 F804 K805 R884	V442-T452 PolarHBondContact N-O 3.24Å; V442-T452 PolarHBondContact O-N 2.76Å; T452-F804 CarbonylContact C-O 3.51Å; T452-F804 VanDerWaalsContact CA-O 3.28Å; T452-F804 WeakPolarHBondContact CA-O 3.37Å; T452-K805 HydrophobicContact CG2-CG 4.05Å; T452-R884 VanDerWaalsContact OG1-CD 3.31Å; T452-R884 WeakPolarHBondContact OG1-CD 3.01Å
453	L	97	Very high	94	Very high	5 Å²	5	45.4 Å²	45.4	3%	0.026	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	139.4	174.5	-68.9	164.6	0	0	0	111.5	A440 L441 F455 L465 L473 F494 F804 I806	A440-L453 WeakPolarHBondContact O-CA 3.33Å; L441-L453 HydrophobicContact CD2-CD2 3.97Å; L441-L453 HydrophobicContact CD2-CG 4.46Å; L453-F455 HydrophobicContact CB-CE2 4.28Å; L453-L465 HydrophobicContact CD2-CD1 3.86Å; L453-L473 HydrophobicContact CD1-CD2 3.47Å; L453-L473 VanDerWaalsContact CD1-CD2 3.47Å; L453-L473 HydrophobicContact CD2-CD1 4.41Å; L453-L473 HydrophobicContact CD2-CD2 3.92Å; L453-L473 HydrophobicContact CG-CD2 4.36Å; L453-F494 HydrophobicContact CD1-CE2 4.05Å; L453-F494 HydrophobicContact CD1-CZ 3.63Å; L453-F804 HydrophobicContact CB-CB 4.32Å; L453-F804 HydrophobicContact CD1-CB 4.1Å; L453-F804 PolarHBondContact N-O 2.87Å; L453-I806 HydrophobicContact CD1-CG1 4.31Å; L453-I806 HydrophobicContact CD2-CD1 4.03Å; L453-I806 HydrophobicContact CD2-CG1 4.05Å; L453-I806 HydrophobicContact CG-CG1 4.21Å
454	Y	97.4	Very high	93.9	Very high	29 Å²	29	45.5 Å²	45.5	11%	0.114	24%	0.241	C	C	.	.			trans	-87.5	140.4	175.3	-178.8	-106.2	0	0	0	112.4	R438 P439 A440 V442 E460 V462 S492 N800	R438-Y454 HydrophobicContact CB-CD1 3.75Å; R438-Y454 HydrophobicContact CB-CE1 3.35Å; R438-Y454 HydrophobicContact CG-CE1 3.71Å; P439-Y454 VanDerWaalsContact O-CB 3.26Å; P439-Y454 WeakPolarHBondContact O-CB 3.29Å; A440-Y454 PolarHBondContact O-N 3.46Å; V442-Y454 HydrophobicContact CG2-CD2 4.04Å; V442-Y454 HydrophobicContact CG2-CG 4.43Å; Y454-E460 VanDerWaalsContact OH-CD 3.29Å; Y454-E460 PolarHBondContact OH-OE1 3.26Å; Y454-V462 HydrophobicContact CD1-CG1 4.42Å; Y454-V462 HydrophobicContact CD1-CG2 4.04Å; Y454-V462 HydrophobicContact CE1-CG2 4.29Å; Y454-S492 WeakPolarHBondContact O-CB 3.34Å; Y454-S492 PolarHBondContact O-OG 2.87Å; Y454-N800 WeakPolarHBondContact CA-OD1 3.42Å
455	F	96.9	Very high	93.8	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.235	C	C	.	.			trans	-119	135.5	171.7	-62.2	-91.6	0	0	0	110.2	L453 T488 I489 S492 F494 R796 L799 N800 F804	L453-F455 HydrophobicContact CB-CE2 4.28Å; F455-T488 HydrophobicContact CB-CG2 4.19Å; F455-T488 HydrophobicContact CD1-CG2 4.33Å; F455-I489 HydrophobicContact CE1-CG2 4.25Å; F455-S492 WeakPolarHBondContact CA-OG 3.39Å; F455-S492 WeakPolarHBondContact CD1-OG 3.49Å; F455-F494 HydrophobicContact CE1-CD2 4.15Å; F455-F494 AromaticContact CE1-CE2 3.6Å; F455-F494 HydrophobicContact CE1-CE2 3.6Å; F455-F494 HydrophobicContact CE1-CZ 4.27Å; F455-F494 AromaticContact CZ-CE2 3.59Å; F455-F494 HydrophobicContact CZ-CE2 3.59Å; F455-F494 AromaticContact CZ-CZ 3.89Å; F455-F494 HydrophobicContact CZ-CZ 3.89Å; F455-R796 WeakPolarHBondContact O-CD 3.37Å; F455-R796 WeakPolarHBondContact O-CG 3.34Å; F455-L799 HydrophobicContact CB-CB 4.01Å; F455-L799 HydrophobicContact CD1-CB 3.91Å; F455-L799 HydrophobicContact CD1-CD1 3.91Å; F455-L799 HydrophobicContact CD2-CB 3.58Å; F455-L799 HydrophobicContact CE1-CB 4.25Å; F455-L799 HydrophobicContact CE1-CD1 4.21Å; F455-L799 HydrophobicContact CE2-CB 3.96Å; F455-L799 HydrophobicContact CG-CB 3.54Å; F455-L799 HydrophobicContact CG-CD1 4.32Å; F455-L799 HydrophobicContact CZ-CB 4.27Å; F455-N800 PolarHBondContact N-OD1 2.84Å; F455-N800 PolarHBondContact O-ND2 3.4Å; F455-F804 HydrophobicContact CE2-CB 4.25Å; F455-F804 AromaticContact CE2-CD2 3.57Å; F455-F804 HydrophobicContact CE2-CD2 3.57Å; F455-F804 HydrophobicContact CE2-CE2 4.27Å; F455-F804 HydrophobicContact CE2-CG 4.15Å; F455-F804 HydrophobicContact CZ-CB 4.42Å; F455-F804 AromaticContact CZ-CD2 3.72Å; F455-F804 HydrophobicContact CZ-CD2 3.72Å; F455-F804 HydrophobicContact CZ-CE2 4.18Å; F455-F804 HydrophobicContact CZ-CG 4.1Å
456	S	93.9	Very high	93.7	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.244	C	C	.	.			trans	-110.3	172.1	-170.2	83.6	0	0	0	0	113.5	E460 R491 R796	S456-E460 WeakPolarHBondContact CB-O 3.48Å; S456-E460 PolarHBondContact OG-O 2.89Å; S456-R491 PolarHBondContact O-NH1 2.94Å; S456-R491 PolarHBondContact OG-NH1 3.31Å; S456-R796 WeakPolarHBondContact O-CG 3.15Å
457	T	90.9	Very high	93.4	Very high	25 Å²	25	48.9 Å²	48.9	15%	0.153	27%	0.272	C	S	.	.			trans	-85.4	-176.4	159.9	60.4	0	0	0	0	111.1	N459 E460 R491	T457-N459 PolarHBondContact O-N 3.09Å; T457-N459 PolarHBondContact OG1-N 3Å; T457-E460 VanDerWaalsContact CB-OE2 3.32Å; T457-E460 WeakPolarHBondContact CB-OE2 3.47Å; T457-E460 WeakPolarHBondContact CG2-OE2 3.45Å; T457-E460 PolarHBondContact N-OE2 3.46Å; T457-E460 PolarHBondContact OG1-OE2 3.09Å; T457-R491 VanDerWaalsContact C-CZ 3.46Å; T457-R491 WeakPolarHBondContact O-CD 3.45Å; T457-R491 VanDerWaalsContact O-CZ 3.27Å; T457-R491 PolarHBondContact O-NE 3.46Å; T457-R491 PolarHBondContact O-NH1 3.02Å
458	A	87.7	Confident	93.2	Very high	54 Å²	54	51.7 Å²	51.7	45%	0.446	28%	0.281	S	S	.	.	S	Bend	trans	-66.5	-22.1	171.8	0	0	0	0	0	113.5	R435	R435-A458 PolarHBondContact NH1-O 3.47Å
459	N	87.6	Confident	93.1	Very high	127 Å²	127	49.3 Å²	49.3	68%	0.679	27%	0.266	S	S	*	.	S	Bend	trans	-89.7	-15.3	-174.1	-58	4.3	0	0	0	112.4	T457	T457-N459 PolarHBondContact O-N 3.09Å; T457-N459 PolarHBondContact OG1-N 3Å
460	E	91.8	Very high	93.1	Very high	20 Å²	20	51.4 Å²	51.4	9%	0.093	27%	0.273	C	S	.	.			trans	-106.7	122.6	-172.9	-72.4	162.8	132.2	0	0	110.3	R438 Y454 S456 T457 R796	R438-E460 HydrophobicContact CG-CB 4.27Å; R438-E460 HydrophobicContact CG-CG 4.41Å; R438-E460 IonicContact NE-OE1 3.94Å; Y454-E460 VanDerWaalsContact OH-CD 3.29Å; Y454-E460 PolarHBondContact OH-OE1 3.26Å; S456-E460 WeakPolarHBondContact CB-O 3.48Å; S456-E460 PolarHBondContact OG-O 2.89Å; T457-E460 VanDerWaalsContact CB-OE2 3.32Å; T457-E460 WeakPolarHBondContact CB-OE2 3.47Å; T457-E460 WeakPolarHBondContact CG2-OE2 3.45Å; T457-E460 PolarHBondContact N-OE2 3.46Å; T457-E460 PolarHBondContact OG1-OE2 3.09Å; E460-R796 VanDerWaalsContact CD-NH1 3.28Å; E460-R796 IonicContact OE1-NH1 3.23Å; E460-R796 PolarHBondContact OE1-NH1 2.83Å; E460-R796 IonicContact OE2-CZ 3.67Å; E460-R796 IonicContact OE2-NH1 2.71Å; E460-R796 PolarHBondContact OE2-NH1 3.48Å
461	K	92.6	Very high	93	Very high	94 Å²	94	55.5 Å²	55.5	41%	0.409	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	144.1	176.4	-177.1	-174.6	176.2	-139.6	0	109.3	R435 E436 E437 R438	R435-K461 HydrophobicContact CB-CB 4.12Å; E436-K461 PolarHBondContact O-N 3.15Å; E437-K461 HydrophobicContact CB-CD 4.41Å; E437-K461 VanDerWaalsContact CD-NZ 3.27Å; E437-K461 HydrophobicContact CG-CD 4.41Å; E437-K461 WeakPolarHBondContact OE1-CD 3.37Å; E437-K461 WeakPolarHBondContact OE1-CE 3.32Å; E437-K461 IonicContact OE1-NZ 2.73Å; E437-K461 PolarHBondContact OE1-NZ 3.4Å; E437-K461 IonicContact OE2-NZ 3.74Å; E437-K461 PolarHBondContact OE2-NZ 2.72Å; R438-K461 PolarHBondContact N-O 2.77Å
462	V	94.7	Very high	92.9	Very high	11 Å²	11	54.4 Å²	54.4	7%	0.067	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.1	179.2	-172.6	0	0	0	0	110.3	A440 Y454 H493	A440-V462 HydrophobicContact CB-CG1 3.88Å; Y454-V462 HydrophobicContact CD1-CG1 4.42Å; Y454-V462 HydrophobicContact CD1-CG2 4.04Å; Y454-V462 HydrophobicContact CE1-CG2 4.29Å; V462-H493 PolarHBondContact O-NE2 3.08Å
463	E	94.8	Very high	92.8	Very high	82 Å²	82	54.5 Å²	54.5	38%	0.383	28%	0.28	S	S	.	.			trans	-47.3	148.3	174.1	-170	-144.9	148.2	0	0	112.6	R438 P439 A440 L465 H493	R438-E463 WeakPolarHBondContact O-CB 3.33Å; R438-E463 PolarHBondContact O-N 2.99Å; P439-E463 WeakPolarHBondContact CA-OE2 3.29Å; A440-E463 HydrophobicContact CB-CB 4.07Å; A440-E463 WeakPolarHBondContact CB-O 3.41Å; A440-E463 PolarHBondContact N-OE2 2.71Å; E463-L465 PolarHBondContact O-N 2.76Å; E463-H493 PolarHBondContact O-CD2 3.13Å; E463-H493 VanDerWaalsContact O-CD2 3.32Å; E463-H493 PolarHBondContact O-NE2 3.1Å; E463-H493 VanDerWaalsContact O-NE2 3.15Å
464	L	94.1	Very high	92.7	Very high	97 Å²	97	56.5 Å²	56.5	51%	0.508	29%	0.288	S	S	.	.			trans	-98.7	89.9	-171.8	-171.9	69.8	0	0	0	113	R470	L464-R470 VanDerWaalsContact CG-CZ 3.47Å
465	L	94.1	Very high	92.6	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.026	28%	0.284	C	S	.	.			trans	-45.4	147.7	-179.1	-70.5	-175.9	0	0	0	115.1	A440 L441 L453 E463 Q469 R470 L473 I806	A440-L465 HydrophobicContact CB-CD1 4.36Å; A440-L465 HydrophobicContact CB-CD2 3.53Å; A440-L465 HydrophobicContact CB-CG 3.61Å; L441-L465 HydrophobicContact CD1-CD2 4.02Å; L441-L465 HydrophobicContact CG-CD2 4.03Å; L453-L465 HydrophobicContact CD2-CD1 3.86Å; E463-L465 PolarHBondContact O-N 2.76Å; L465-Q469 HydrophobicContact CB-CB 4.47Å; L465-Q469 HydrophobicContact CD1-CB 4.45Å; L465-R470 PolarHBondContact O-NE 3.29Å; L465-R470 PolarHBondContact O-NH2 2.86Å; L465-L473 HydrophobicContact CD1-CD1 4.11Å; L465-I806 HydrophobicContact CD1-CD1 3.93Å
466	P	94.3	Very high	92.5	Very high	75 Å²	75	59 Å²	59	49%	0.487	30%	0.3	S	S	.	.			trans	-46.2	142.1	172.5	-30.5	35.7	0	0	0	114	E468 Q469 R470	P466-E468 PolarHBondContact O-N 2.85Å; P466-E468 VanDerWaalsContact O-N 3.11Å; P466-Q469 PolarHBondContact O-N 2.83Å; P466-R470 PolarHBondContact O-N 2.59Å
467	A	91.1	Very high	92.4	Very high	72 Å²	72	62.3 Å²	62.3	60%	0.595	32%	0.316	S	S	*	.	H	α-helix	trans	-56.7	-34.3	-169.9	0	0	0	0	0	114.1	R471	A467-R471 WeakPolarHBondContact O-CB 3.46Å; A467-R471 PolarHBondContact O-N 2.91Å
468	E	90.2	Very high	92.5	Very high	106 Å²	106	62.4 Å²	62.4	50%	0.495	32%	0.318	S	S	.	.	H	α-helix	trans	-60.8	-46.5	174.7	-63	-169.2	126.9	0	0	112.7	P466 R471 K809	P466-E468 PolarHBondContact O-N 2.85Å; P466-E468 VanDerWaalsContact O-N 3.11Å; E468-R471 WeakPolarHBondContact O-CB 3.3Å; E468-R471 PolarHBondContact O-N 2.85Å; E468-K809 VanDerWaalsContact CD-NZ 3.35Å; E468-K809 IonicContact OE1-NZ 2.67Å; E468-K809 PolarHBondContact OE1-NZ 3.05Å; E468-K809 VanDerWaalsContact OE2-CE 3.29Å; E468-K809 WeakPolarHBondContact OE2-CE 3.45Å; E468-K809 IonicContact OE2-NZ 3.56Å; E468-K809 PolarHBondContact OE2-NZ 3.4Å
469	Q	91.4	Very high	92.7	Very high	66 Å²	66	64.9 Å²	64.9	31%	0.308	33%	0.332	S	S	.	.	H	α-helix	trans	-71.9	-42.6	179.1	-68.2	178	-8.1	0	0	110.7	L465 P466 R471 L472 L473 I806	L465-Q469 HydrophobicContact CB-CB 4.47Å; L465-Q469 HydrophobicContact CD1-CB 4.45Å; P466-Q469 PolarHBondContact O-N 2.83Å; Q469-R471 PolarHBondContact O-N 3.34Å; Q469-L472 WeakPolarHBondContact O-CA 3.22Å; Q469-L472 VanDerWaalsContact O-CB 3.32Å; Q469-L472 WeakPolarHBondContact O-CB 3.44Å; Q469-L472 PolarHBondContact O-N 3.21Å; Q469-L473 PolarHBondContact O-N 3.23Å; Q469-I806 HydrophobicContact CB-CD1 4.16Å; Q469-I806 HydrophobicContact CG-CD1 4.4Å
470	R	91.6	Very high	93	Very high	73 Å²	73	61.8 Å²	61.8	28%	0.275	32%	0.318	S	S	.	.	H	α-helix	trans	-58.7	-29.3	175.8	-146.7	-172	-48.1	156.1	6.3	112.5	L464 L465 P466 L472 L473 H493	L464-R470 VanDerWaalsContact CG-CZ 3.47Å; L465-R470 PolarHBondContact O-NE 3.29Å; L465-R470 PolarHBondContact O-NH2 2.86Å; P466-R470 PolarHBondContact O-N 2.59Å; R470-L472 VanDerWaalsContact C-N 3.26Å; R470-L472 PolarHBondContact O-N 2.86Å; R470-L473 PolarHBondContact O-N 3.04Å; R470-H493 HydrophobicContact CG-CB 4.36Å
471	R	90.6	Very high	93.1	Very high	173 Å²	173	61 Å²	61	65%	0.653	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-19.1	172.9	-171.9	177.1	65.6	169.3	-0.4	113.3	A467 E468 Q469 K474	A467-R471 WeakPolarHBondContact O-CB 3.46Å; A467-R471 PolarHBondContact O-N 2.91Å; E468-R471 WeakPolarHBondContact O-CB 3.3Å; E468-R471 PolarHBondContact O-N 2.85Å; Q469-R471 PolarHBondContact O-N 3.34Å; R471-K474 WeakPolarHBondContact O-CE 3.47Å; R471-K474 PolarHBondContact O-NZ 2.79Å
472	L	91.3	Very high	93.2	Very high	28 Å²	28	57.7 Å²	57.7	15%	0.147	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-22.8	175.5	-55	178.5	0	0	0	112.7	Q469 R470 K474 L504 I806 V812	Q469-L472 WeakPolarHBondContact O-CA 3.22Å; Q469-L472 VanDerWaalsContact O-CB 3.32Å; Q469-L472 WeakPolarHBondContact O-CB 3.44Å; Q469-L472 PolarHBondContact O-N 3.21Å; R470-L472 VanDerWaalsContact C-N 3.26Å; R470-L472 PolarHBondContact O-N 2.86Å; L472-K474 VanDerWaalsContact C-N 3.3Å; L472-K474 PolarHBondContact O-N 2.81Å; L472-L504 WeakPolarHBondContact O-CD1 3.4Å; L472-I806 HydrophobicContact CB-CG2 4.47Å; L472-I806 HydrophobicContact CD1-CG2 3.7Å; L472-V812 HydrophobicContact CD1-CG2 4.33Å; L472-V812 HydrophobicContact CD2-CG1 4.03Å; L472-V812 HydrophobicContact CD2-CG2 4.02Å
473	L	94.3	Very high	93.2	Very high	2 Å²	2	61.5 Å²	61.5	1%	0.01	32%	0.322	C	S	.	.			trans	-69.8	81.6	178.6	-58.6	-165.1	0	0	0	111.9	L453 L465 Q469 R470 H493 F494 K495 L504	L453-L473 HydrophobicContact CD1-CD2 3.47Å; L453-L473 VanDerWaalsContact CD1-CD2 3.47Å; L453-L473 HydrophobicContact CD2-CD1 4.41Å; L453-L473 HydrophobicContact CD2-CD2 3.92Å; L453-L473 HydrophobicContact CG-CD2 4.36Å; L465-L473 HydrophobicContact CD1-CD1 4.11Å; Q469-L473 PolarHBondContact O-N 3.23Å; R470-L473 PolarHBondContact O-N 3.04Å; L473-H493 HydrophobicContact CD1-CB 4.3Å; L473-F494 HydrophobicContact CB-CD1 4.18Å; L473-F494 HydrophobicContact CB-CG 4.24Å; L473-F494 HydrophobicContact CD2-CZ 4.33Å; L473-K495 PolarHBondContact O-N 3.31Å; L473-L504 HydrophobicContact CD2-CD1 4.05Å
474	K	94.8	Very high	93.2	Very high	47 Å²	47	58.5 Å²	58.5	20%	0.204	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	131.2	-179.6	-63.4	-168.4	-164.3	77.5	0	111.6	R471 L472 K495 T497 N502 W503 L504	R471-K474 WeakPolarHBondContact O-CE 3.47Å; R471-K474 PolarHBondContact O-NZ 2.79Å; L472-K474 VanDerWaalsContact C-N 3.3Å; L472-K474 PolarHBondContact O-N 2.81Å; K474-K495 CarbonylContact C-O 3.6Å; K474-K495 VanDerWaalsContact CA-O 3.3Å; K474-K495 WeakPolarHBondContact CA-O 3.47Å; K474-T497 HydrophobicContact CB-CG2 4.04Å; K474-N502 WeakPolarHBondContact CD-O 3.41Å; K474-N502 WeakPolarHBondContact CD-OD1 3.43Å; K474-N502 WeakPolarHBondContact CE-OD1 3.36Å; K474-N502 PolarHBondContact NZ-OD1 3.47Å; K474-W503 CarbonylContact O-C 3.57Å; K474-W503 WeakPolarHBondContact O-CA 3.38Å; K474-L504 PolarHBondContact O-N 2.95Å
475	W	96.3	Very high	93.3	Very high	4 Å²	4	53.9 Å²	53.9	2%	0.015	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.6	177.5	-164.5	-86.6	0	0	0	111	M477 V485 I489 F494 K495 A496 T497 G505 W507 L799 F804	W475-M477 PolarHBondContact O-N 2.82Å; W475-M477 VanDerWaalsContact O-N 3.17Å; W475-V485 HydrophobicContact CZ2-CG1 4.17Å; W475-I489 HydrophobicContact CB-CD1 3.79Å; W475-I489 HydrophobicContact CD2-CD1 3.6Å; W475-I489 HydrophobicContact CD2-CG2 4.05Å; W475-I489 HydrophobicContact CE3-CB 4.31Å; W475-I489 HydrophobicContact CE3-CD1 4.23Å; W475-I489 HydrophobicContact CE3-CG2 3.74Å; W475-I489 HydrophobicContact CG-CD1 3.36Å; W475-I489 HydrophobicContact CH2-CG2 3.93Å; W475-I489 HydrophobicContact CZ2-CG2 4.21Å; W475-I489 HydrophobicContact CZ3-CG2 3.68Å; W475-F494 HydrophobicContact CB-CB 4.42Å; W475-F494 HydrophobicContact CB-CD1 4.27Å; W475-F494 AromaticContact CE3-CD1 3.93Å; W475-F494 HydrophobicContact CE3-CD1 3.93Å; W475-F494 HydrophobicContact CE3-CE1 4.04Å; W475-F494 HydrophobicContact CE3-CG 4.45Å; W475-K495 PolarHBondContact N-O 2.84Å; W475-A496 WeakPolarHBondContact O-CA 3.32Å; W475-T497 WeakPolarHBondContact O-CG2 3.47Å; W475-T497 PolarHBondContact O-N 3.49Å; W475-G505 CarbonylContact C-O 3.58Å; W475-G505 WeakPolarHBondContact CA-O 3.34Å; W475-W507 HydrophobicContact CZ2-CB 4.09Å; W475-L799 HydrophobicContact CH2-CD2 4.04Å; W475-F804 HydrophobicContact CH2-CE1 4.39Å; W475-F804 AromaticContact CH2-CZ 3.94Å; W475-F804 HydrophobicContact CH2-CZ 3.94Å; W475-F804 AromaticContact CZ3-CE1 3.97Å; W475-F804 HydrophobicContact CZ3-CE1 3.97Å; W475-F804 AromaticContact CZ3-CZ 3.88Å; W475-F804 HydrophobicContact CZ3-CZ 3.88Å
476	K	94.9	Very high	93.4	Very high	77 Å²	77	57.3 Å²	57.3	34%	0.335	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	105	172.9	175.9	177.3	172.3	-176.6	0	108.1	W503 G505 C506	K476-W503 HydrophobicContact CB-CB 3.92Å; K476-W503 HydrophobicContact CB-CD2 3.78Å; K476-W503 HydrophobicContact CB-CE3 4.21Å; K476-W503 HydrophobicContact CB-CG 3.64Å; K476-W503 HydrophobicContact CD-CD2 4.09Å; K476-W503 HydrophobicContact CD-CG 4.34Å; K476-W503 HydrophobicContact CD-CZ2 4.07Å; K476-G505 PolarHBondContact N-O 2.78Å; K476-C506 HydrophobicContact CB-CB 4.02Å; K476-C506 HydrophobicContact CD-CB 4.41Å; K476-C506 HydrophobicContact CG-CB 4.46Å; K476-C506 PolarHBondContact O-SG 3.47Å
477	M	92.3	Very high	93.4	Very high	70 Å²	70	57.4 Å²	57.4	35%	0.345	29%	0.293	S	S	.	.			trans	-75.8	140.6	-178.2	-167.4	55.5	57.6	0	0	110.6	W475 T481 K486 I489 A496	W475-M477 PolarHBondContact O-N 2.82Å; W475-M477 VanDerWaalsContact O-N 3.17Å; M477-T481 HydrophobicContact CE-CG2 4.3Å; M477-T481 VanDerWaalsContact SD-CB 3.54Å; M477-T481 HydrophobicContact SD-CG2 3.61Å; M477-K486 HydrophobicContact CE-CG 4.2Å; M477-K486 HydrophobicContact SD-CG 4.18Å; M477-I489 HydrophobicContact CE-CD1 4.03Å; M477-A496 HydrophobicContact CB-CB 4.46Å; M477-A496 HydrophobicContact CE-CB 4.22Å
478	S	92.2	Very high	93.7	Very high	28 Å²	28	54 Å²	54	20%	0.196	26%	0.264	C	S	.	.			trans	-127	158.4	175.3	-160.2	0	0	0	0	110.5	V480 T481 W507 H509	S478-V480 PolarHBondContact O-N 3.1Å; S478-T481 PolarHBondContact N-OG1 3Å; S478-T481 VanDerWaalsContact N-OG1 3.1Å; S478-T481 WeakPolarHBondContact O-CB 3.16Å; S478-T481 PolarHBondContact O-N 3.26Å; S478-T481 VanDerWaalsContact O-N 3.09Å; S478-T481 PolarHBondContact O-OG1 2.92Å; S478-W507 VanDerWaalsContact CB-O 3.22Å; S478-W507 WeakPolarHBondContact CB-O 3.38Å; S478-H509 PolarHBondContact OG-CD2 3.14Å
479	S	92.5	Very high	94	Very high	106 Å²	106	49.2 Å²	49.2	74%	0.741	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-29.6	175.8	49.1	0	0	0	0	112.5	H509	S479-H509 PolarHBondContact OG-NE2 3.19Å
480	V	92.8	Very high	94.2	Very high	62 Å²	62	48.9 Å²	48.9	38%	0.376	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	1.9	175.5	-69.3	0	0	0	0	114.8	S478 P482 G508 H509	S478-V480 PolarHBondContact O-N 3.1Å; V480-P482 WeakPolarHBondContact O-CD 3.35Å; V480-G508 VanDerWaalsContact CG2-C 3.47Å; V480-G508 WeakPolarHBondContact CG2-O 3.28Å; V480-H509 WeakPolarHBondContact CG1-CE1 3.4Å; V480-H509 HydrophobicContact CG2-CB 4.45Å
481	T	94.6	Very high	94.3	Very high	4 Å²	4	48.6 Å²	48.6	3%	0.025	25%	0.25	C	C	.	.			trans	-67.2	115.7	173.8	-57.3	0	0	0	0	109.6	M477 S478 V485 K486 W507	M477-T481 HydrophobicContact CE-CG2 4.3Å; M477-T481 VanDerWaalsContact SD-CB 3.54Å; M477-T481 HydrophobicContact SD-CG2 3.61Å; S478-T481 PolarHBondContact N-OG1 3Å; S478-T481 VanDerWaalsContact N-OG1 3.1Å; S478-T481 WeakPolarHBondContact O-CB 3.16Å; S478-T481 PolarHBondContact O-N 3.26Å; S478-T481 VanDerWaalsContact O-N 3.09Å; S478-T481 PolarHBondContact O-OG1 2.92Å; T481-V485 HydrophobicContact CG2-CB 4.24Å; T481-V485 HydrophobicContact CG2-CG1 4.11Å; T481-K486 HydrophobicContact CG2-CG 3.98Å; T481-K486 WeakPolarHBondContact O-CE 3.48Å; T481-K486 PolarHBondContact O-NZ 2.72Å; T481-W507 HydrophobicContact CG2-CB 3.96Å; T481-W507 PolarHBondContact OG1-O 3.04Å
482	P	94.6	Very high	94.5	Very high	24 Å²	24	40.6 Å²	40.6	16%	0.156	22%	0.22	C	C	.	.			trans	-71	151.7	-176.2	-17.3	31.1	0	0	0	112.6	V480 I484 V485 K486 L780	V480-P482 WeakPolarHBondContact O-CD 3.35Å; P482-I484 VanDerWaalsContact C-N 3.28Å; P482-I484 HydrophobicContact CB-CG2 4.33Å; P482-I484 PolarHBondContact O-N 2.85Å; P482-V485 HydrophobicContact CB-CG2 4.29Å; P482-V485 HydrophobicContact CG-CG2 4.07Å; P482-V485 WeakPolarHBondContact O-CA 3.49Å; P482-V485 WeakPolarHBondContact O-CB 3.43Å; P482-V485 PolarHBondContact O-N 3.44Å; P482-K486 PolarHBondContact O-N 3.31Å; P482-L780 HydrophobicContact CB-CB 3.87Å; P482-L780 HydrophobicContact CG-CB 3.78Å; P482-L780 HydrophobicContact CG-CD1 3.85Å; P482-L780 HydrophobicContact CG-CG 4.41Å
483	N	94.5	Very high	94.7	Very high	90 Å²	90	41.7 Å²	41.7	48%	0.481	23%	0.225	S	C	.	.	H	α-helix	trans	-58	-38.8	179.8	-67.8	-2.4	0	0	0	112.7	V485 K486 H487	N483-V485 PolarHBondContact O-N 3.45Å; N483-K486 CarbonylContact O-C 3.58Å; N483-K486 WeakPolarHBondContact O-CA 3.48Å; N483-K486 WeakPolarHBondContact O-CB 3.49Å; N483-K486 PolarHBondContact O-N 3.09Å; N483-K486 PolarHBondContact OD1-NZ 2.86Å; N483-H487 PolarHBondContact O-CD2 3.04Å; N483-H487 PolarHBondContact O-N 3.22Å
484	I	95.2	Very high	94.7	Very high	20 Å²	20	42.2 Å²	42.2	10%	0.103	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-28.6	176.8	-158.7	158.4	0	0	0	113.4	P482 T488 L780 K791 G792 I795	P482-I484 VanDerWaalsContact C-N 3.28Å; P482-I484 HydrophobicContact CB-CG2 4.33Å; P482-I484 PolarHBondContact O-N 2.85Å; I484-T488 WeakPolarHBondContact O-CB 3.34Å; I484-T488 PolarHBondContact O-N 3.22Å; I484-T488 PolarHBondContact O-OG1 3.13Å; I484-L780 HydrophobicContact CG2-CB 4.29Å; I484-K791 HydrophobicContact CD1-CB 3.91Å; I484-G792 VanDerWaalsContact CD1-N 3.34Å; I484-I795 HydrophobicContact CG2-CG1 4.37Å
485	V	96.3	Very high	94.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-73.7	-45.7	169.5	-179.9	0	0	0	0	110	W475 T481 P482 N483 H487 T488 I489 W507 I795	W475-V485 HydrophobicContact CZ2-CG1 4.17Å; T481-V485 HydrophobicContact CG2-CB 4.24Å; T481-V485 HydrophobicContact CG2-CG1 4.11Å; P482-V485 HydrophobicContact CB-CG2 4.29Å; P482-V485 HydrophobicContact CG-CG2 4.07Å; P482-V485 WeakPolarHBondContact O-CA 3.49Å; P482-V485 WeakPolarHBondContact O-CB 3.43Å; P482-V485 PolarHBondContact O-N 3.44Å; N483-V485 PolarHBondContact O-N 3.45Å; V485-H487 VanDerWaalsContact C-N 3.33Å; V485-H487 PolarHBondContact O-N 3.31Å; V485-T488 PolarHBondContact O-N 3.4Å; V485-I489 HydrophobicContact CG1-CG2 4.24Å; V485-I489 WeakPolarHBondContact O-CG1 3.15Å; V485-I489 WeakPolarHBondContact O-CG2 3.42Å; V485-I489 PolarHBondContact O-N 2.99Å; V485-W507 HydrophobicContact CG1-CB 4.3Å; V485-W507 HydrophobicContact CG1-CE3 4.14Å; V485-W507 HydrophobicContact CG2-CD2 4.08Å; V485-W507 HydrophobicContact CG2-CE3 3.82Å; V485-W507 HydrophobicContact CG2-CZ3 4.15Å; V485-I795 HydrophobicContact CG2-CD1 4.26Å; V485-I795 HydrophobicContact CG2-CG2 3.94Å
486	K	95.6	Very high	94.5	Very high	76 Å²	76	50 Å²	50	33%	0.33	27%	0.274	S	S	.	.	H	α-helix	trans	-54.3	-46.2	175.7	-61	175.2	-168.5	153.5	0	111.9	M477 T481 P482 N483 I489 A490	M477-K486 HydrophobicContact CE-CG 4.2Å; M477-K486 HydrophobicContact SD-CG 4.18Å; T481-K486 HydrophobicContact CG2-CG 3.98Å; T481-K486 WeakPolarHBondContact O-CE 3.48Å; T481-K486 PolarHBondContact O-NZ 2.72Å; P482-K486 PolarHBondContact O-N 3.31Å; N483-K486 CarbonylContact O-C 3.58Å; N483-K486 WeakPolarHBondContact O-CA 3.48Å; N483-K486 WeakPolarHBondContact O-CB 3.49Å; N483-K486 PolarHBondContact O-N 3.09Å; N483-K486 PolarHBondContact OD1-NZ 2.86Å; K486-I489 WeakPolarHBondContact O-CG1 3.36Å; K486-A490 VanDerWaalsContact O-CB 3.22Å; K486-A490 WeakPolarHBondContact O-CB 3.14Å; K486-A490 PolarHBondContact O-N 2.91Å
487	H	94.9	Very high	94.2	Very high	77 Å²	77	47.4 Å²	47.4	36%	0.356	27%	0.265	S	S	.	.	H	α-helix	trans	-66.6	-40	-179.1	-62.5	-167.6	0	0	0	110.4	E425 N483 V485 A490 R491	E425-H487 IonicContact OE2-CE1 3.62Å; E425-H487 PolarHBondContact OE2-CE1 2.93Å; E425-H487 VanDerWaalsContact OE2-CE1 3.27Å; E425-H487 IonicContact OE2-ND1 3.38Å; E425-H487 PolarHBondContact OE2-ND1 3.15Å; N483-H487 PolarHBondContact O-CD2 3.04Å; N483-H487 PolarHBondContact O-N 3.22Å; V485-H487 VanDerWaalsContact C-N 3.33Å; V485-H487 PolarHBondContact O-N 3.31Å; H487-A490 PolarHBondContact O-N 3.12Å; H487-R491 PolarHBondContact O-N 2.64Å; H487-R491 VanDerWaalsContact O-N 3.11Å
488	T	96.2	Very high	93.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-69.6	-43.6	-179.7	-56.5	0	0	0	0	112.8	F455 I484 V485 A490 R491 S492 L799	F455-T488 HydrophobicContact CB-CG2 4.19Å; F455-T488 HydrophobicContact CD1-CG2 4.33Å; I484-T488 WeakPolarHBondContact O-CB 3.34Å; I484-T488 PolarHBondContact O-N 3.22Å; I484-T488 PolarHBondContact O-OG1 3.13Å; V485-T488 PolarHBondContact O-N 3.4Å; T488-A490 VanDerWaalsContact C-N 3.34Å; T488-A490 PolarHBondContact O-N 3.4Å; T488-R491 PolarHBondContact OG1-NH2 3.15Å; T488-R491 VanDerWaalsContact OG1-NH2 3.09Å; T488-S492 PolarHBondContact O-N 3.35Å; T488-L799 HydrophobicContact CG2-CD1 3.87Å
489	I	96.1	Very high	92.5	Very high	6 Å²	6	61 Å²	61	3%	0.031	32%	0.318	C	S	.	.	H	α-helix	trans	-69.8	-31.8	176.4	68.6	176.8	0	0	0	112.2	F455 W475 M477 V485 K486 S492 H493 F494 L799	F455-I489 HydrophobicContact CE1-CG2 4.25Å; W475-I489 HydrophobicContact CB-CD1 3.79Å; W475-I489 HydrophobicContact CD2-CD1 3.6Å; W475-I489 HydrophobicContact CD2-CG2 4.05Å; W475-I489 HydrophobicContact CE3-CB 4.31Å; W475-I489 HydrophobicContact CE3-CD1 4.23Å; W475-I489 HydrophobicContact CE3-CG2 3.74Å; W475-I489 HydrophobicContact CG-CD1 3.36Å; W475-I489 HydrophobicContact CH2-CG2 3.93Å; W475-I489 HydrophobicContact CZ2-CG2 4.21Å; W475-I489 HydrophobicContact CZ3-CG2 3.68Å; M477-I489 HydrophobicContact CE-CD1 4.03Å; V485-I489 HydrophobicContact CG1-CG2 4.24Å; V485-I489 WeakPolarHBondContact O-CG1 3.15Å; V485-I489 WeakPolarHBondContact O-CG2 3.42Å; V485-I489 PolarHBondContact O-N 2.99Å; K486-I489 WeakPolarHBondContact O-CG1 3.36Å; I489-S492 CarbonylContact O-C 3.57Å; I489-S492 PolarHBondContact O-N 3.33Å; I489-H493 PolarHBondContact O-N 3.06Å; I489-F494 HydrophobicContact CB-CB 4.08Å; I489-F494 HydrophobicContact CB-CD2 4.43Å; I489-F494 HydrophobicContact CB-CG 4.38Å; I489-F494 WeakPolarHBondContact O-CB 3.5Å; I489-F494 PolarHBondContact O-N 3.32Å; I489-L799 HydrophobicContact CG2-CD1 4.27Å
490	A	95.6	Very high	91.3	Very high	59 Å²	59	59.7 Å²	59.7	49%	0.488	31%	0.309	S	S	.	.	H	α-helix	trans	-68.1	-40.9	177.8	0	0	0	0	0	111.9	K486 H487 T488 S492 H493	K486-A490 VanDerWaalsContact O-CB 3.22Å; K486-A490 WeakPolarHBondContact O-CB 3.14Å; K486-A490 PolarHBondContact O-N 2.91Å; H487-A490 PolarHBondContact O-N 3.12Å; T488-A490 VanDerWaalsContact C-N 3.34Å; T488-A490 PolarHBondContact O-N 3.4Å; A490-S492 PolarHBondContact O-N 2.89Å; A490-H493 PolarHBondContact O-N 3.33Å
491	R	95.1	Very high	90.4	Very high	67 Å²	67	63 Å²	63	25%	0.253	33%	0.325	S	S	.	.	H	α-helix	trans	-62.5	-28.2	172	-76.1	-174.4	-82.7	88.1	-2.2	112.9	S456 T457 H487 T488 H493	S456-R491 PolarHBondContact O-NH1 2.94Å; S456-R491 PolarHBondContact OG-NH1 3.31Å; T457-R491 VanDerWaalsContact C-CZ 3.46Å; T457-R491 WeakPolarHBondContact O-CD 3.45Å; T457-R491 VanDerWaalsContact O-CZ 3.27Å; T457-R491 PolarHBondContact O-NE 3.46Å; T457-R491 PolarHBondContact O-NH1 3.02Å; H487-R491 PolarHBondContact O-N 2.64Å; H487-R491 VanDerWaalsContact O-N 3.11Å; T488-R491 PolarHBondContact OG1-NH2 3.15Å; T488-R491 VanDerWaalsContact OG1-NH2 3.09Å; R491-H493 VanDerWaalsContact C-N 3.29Å; R491-H493 PolarHBondContact O-N 3.42Å
492	S	94.9	Very high	89.9	Confident	5 Å²	5	66.1 Å²	66.1	4%	0.035	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	25.4	169.6	-61.5	0	0	0	0	114.4	Y454 F455 T488 I489 A490 F494	Y454-S492 WeakPolarHBondContact O-CB 3.34Å; Y454-S492 PolarHBondContact O-OG 2.87Å; F455-S492 WeakPolarHBondContact CA-OG 3.39Å; F455-S492 WeakPolarHBondContact CD1-OG 3.49Å; T488-S492 PolarHBondContact O-N 3.35Å; I489-S492 CarbonylContact O-C 3.57Å; I489-S492 PolarHBondContact O-N 3.33Å; A490-S492 PolarHBondContact O-N 2.89Å; S492-F494 WeakPolarHBondContact O-CD2 3.42Å; S492-F494 PolarHBondContact O-N 2.92Å
493	H	94.7	Very high	89.8	Confident	51 Å²	51	65.8 Å²	65.8	24%	0.236	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	14.7	173.8	-53	-66.2	0	0	0	116.6	V462 E463 R470 L473 I489 A490 R491	V462-H493 PolarHBondContact O-NE2 3.08Å; E463-H493 PolarHBondContact O-CD2 3.13Å; E463-H493 VanDerWaalsContact O-CD2 3.32Å; E463-H493 PolarHBondContact O-NE2 3.1Å; E463-H493 VanDerWaalsContact O-NE2 3.15Å; R470-H493 HydrophobicContact CG-CB 4.36Å; L473-H493 HydrophobicContact CD1-CB 4.3Å; I489-H493 PolarHBondContact O-N 3.06Å; A490-H493 PolarHBondContact O-N 3.33Å; R491-H493 VanDerWaalsContact C-N 3.29Å; R491-H493 PolarHBondContact O-N 3.42Å
494	F	95.4	Very high	89.8	Confident	14 Å²	14	62 Å²	62	6%	0.061	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-71.2	133.7	175.9	-79.9	-104.1	0	0	0	111.8	L453 F455 L473 W475 I489 S492 L504	L453-F494 HydrophobicContact CD1-CE2 4.05Å; L453-F494 HydrophobicContact CD1-CZ 3.63Å; F455-F494 HydrophobicContact CE1-CD2 4.15Å; F455-F494 AromaticContact CE1-CE2 3.6Å; F455-F494 HydrophobicContact CE1-CE2 3.6Å; F455-F494 HydrophobicContact CE1-CZ 4.27Å; F455-F494 AromaticContact CZ-CE2 3.59Å; F455-F494 HydrophobicContact CZ-CE2 3.59Å; F455-F494 AromaticContact CZ-CZ 3.89Å; F455-F494 HydrophobicContact CZ-CZ 3.89Å; L473-F494 HydrophobicContact CB-CD1 4.18Å; L473-F494 HydrophobicContact CB-CG 4.24Å; L473-F494 HydrophobicContact CD2-CZ 4.33Å; W475-F494 HydrophobicContact CB-CB 4.42Å; W475-F494 HydrophobicContact CB-CD1 4.27Å; W475-F494 AromaticContact CE3-CD1 3.93Å; W475-F494 HydrophobicContact CE3-CD1 3.93Å; W475-F494 HydrophobicContact CE3-CE1 4.04Å; W475-F494 HydrophobicContact CE3-CG 4.45Å; I489-F494 HydrophobicContact CB-CB 4.08Å; I489-F494 HydrophobicContact CB-CD2 4.43Å; I489-F494 HydrophobicContact CB-CG 4.38Å; I489-F494 WeakPolarHBondContact O-CB 3.5Å; I489-F494 PolarHBondContact O-N 3.32Å; S492-F494 WeakPolarHBondContact O-CD2 3.42Å; S492-F494 PolarHBondContact O-N 2.92Å; F494-L504 HydrophobicContact CE1-CB 4.33Å
495	K	93.3	Very high	89.8	Confident	143 Å²	143	61 Å²	61	62%	0.622	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	129.2	173.2	-62.8	-169	174.6	-169.9	0	110.8	L473 K474 W475 T497	L473-K495 PolarHBondContact O-N 3.31Å; K474-K495 CarbonylContact C-O 3.6Å; K474-K495 VanDerWaalsContact CA-O 3.3Å; K474-K495 WeakPolarHBondContact CA-O 3.47Å; W475-K495 PolarHBondContact N-O 2.84Å; K495-T497 PolarHBondContact O-N 3.39Å
496	A	92.1	Very high	89.8	Confident	72 Å²	72	61.3 Å²	61.3	60%	0.595	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	136.5	172.3	0	0	0	0	0	110.5	W475 M477	W475-A496 WeakPolarHBondContact O-CA 3.32Å; M477-A496 HydrophobicContact CB-CB 4.46Å; M477-A496 HydrophobicContact CE-CB 4.22Å
497	T	89.1	Confident	89.8	Confident	21 Å²	21	58.8 Å²	58.8	13%	0.129	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	141.4	177.2	-175.5	0	0	0	0	111.8	K474 W475 K495 K499 W503	K474-T497 HydrophobicContact CB-CG2 4.04Å; W475-T497 WeakPolarHBondContact O-CG2 3.47Å; W475-T497 PolarHBondContact O-N 3.49Å; K495-T497 PolarHBondContact O-N 3.39Å; T497-K499 PolarHBondContact OG1-N 2.88Å; T497-W503 HydrophobicContact CG2-CB 4.01Å
498	K	76.9	Confident	89.7	Confident	221 Å²	221	55.4 Å²	55.4	96%	0.961	29%	0.288	S	S	*	.			trans	-95.2	-8.4	167.5	-61.9	-176.5	-179.6	-179	0	112.5
499	K	71.6	Confident	89.5	Confident	163 Å²	163	60 Å²	60	71%	0.709	31%	0.309	S	S	*	.			trans	-78.7	121.5	179.2	-63.6	-167	177.2	-169.2	0	110	T497 N501	T497-K499 PolarHBondContact OG1-N 2.88Å; K499-N501 VanDerWaalsContact C-N 3.33Å; K499-N501 PolarHBondContact O-N 2.9Å
500	S	67	Low	89.1	Confident	79 Å²	79	61.7 Å²	61.7	55%	0.552	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-30.4	-165.3	55.2	0	0	0	0	116.2	W503	S500-W503 VanDerWaalsContact O-CD1 3.25Å; S500-W503 PolarHBondContact O-NE1 3.23Å
501	N	74.6	Confident	88.9	Confident	132 Å²	132	62 Å²	62	71%	0.706	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	-13.8	-165.9	-60.4	11.7	0	0	0	114.2	K499 Q523	K499-N501 VanDerWaalsContact C-N 3.33Å; K499-N501 PolarHBondContact O-N 2.9Å; N501-Q523 PolarHBondContact O-NE2 2.68Å
502	N	84.7	Confident	88.7	Confident	69 Å²	69	64.2 Å²	64.2	37%	0.369	32%	0.321	S	S	.	.			trans	-113.5	82.7	-172.7	-166	-54	0	0	0	110	K474	K474-N502 WeakPolarHBondContact CD-O 3.41Å; K474-N502 WeakPolarHBondContact CD-OD1 3.43Å; K474-N502 WeakPolarHBondContact CE-OD1 3.36Å; K474-N502 PolarHBondContact NZ-OD1 3.47Å
503	W	92.9	Very high	88.6	Confident	17 Å²	17	64.1 Å²	64.1	6%	0.064	32%	0.32	C	S	.	.			trans	-152	161.8	179.8	52.8	-83.5	0	0	0	109.7	K474 K476 T497 S500 C506 I519 Q523	K474-W503 CarbonylContact O-C 3.57Å; K474-W503 WeakPolarHBondContact O-CA 3.38Å; K476-W503 HydrophobicContact CB-CB 3.92Å; K476-W503 HydrophobicContact CB-CD2 3.78Å; K476-W503 HydrophobicContact CB-CE3 4.21Å; K476-W503 HydrophobicContact CB-CG 3.64Å; K476-W503 HydrophobicContact CD-CD2 4.09Å; K476-W503 HydrophobicContact CD-CG 4.34Å; K476-W503 HydrophobicContact CD-CZ2 4.07Å; T497-W503 HydrophobicContact CG2-CB 4.01Å; S500-W503 VanDerWaalsContact O-CD1 3.25Å; S500-W503 PolarHBondContact O-NE1 3.23Å; W503-C506 HydrophobicContact CE3-CB 3.85Å; W503-C506 HydrophobicContact CH2-CB 4.04Å; W503-C506 HydrophobicContact CZ3-CB 3.51Å; W503-I519 HydrophobicContact CH2-CG2 4.46Å; W503-Q523 HydrophobicContact CD2-CG 3.83Å; W503-Q523 VanDerWaalsContact CE2-CD 3.42Å; W503-Q523 HydrophobicContact CE3-CB 4.07Å; W503-Q523 HydrophobicContact CE3-CG 3.71Å; W503-Q523 HydrophobicContact CH2-CB 3.72Å; W503-Q523 HydrophobicContact CH2-CG 3.97Å; W503-Q523 HydrophobicContact CZ2-CB 4.24Å; W503-Q523 HydrophobicContact CZ2-CG 4.07Å; W503-Q523 VanDerWaalsContact CZ2-OE1 3.28Å; W503-Q523 HydrophobicContact CZ3-CB 3.63Å; W503-Q523 HydrophobicContact CZ3-CG 3.79Å; W503-Q523 WeakPolarHBondContact O-CG 3.43Å; W503-Q523 PolarHBondContact O-NE2 3.12Å; W503-Q523 VanDerWaalsContact O-NE2 3.16Å
504	L	94.5	Very high	88.6	Confident	9 Å²	9	65.4 Å²	65.4	5%	0.047	33%	0.333	C	S	.	.	S	Bend	trans	-111.5	-36.1	174.4	-58.1	179.9	0	0	0	112.2	L472 L473 K474 F494 Q523 K524 P807	L472-L504 WeakPolarHBondContact O-CD1 3.4Å; L473-L504 HydrophobicContact CD2-CD1 4.05Å; K474-L504 PolarHBondContact O-N 2.95Å; F494-L504 HydrophobicContact CE1-CB 4.33Å; L504-Q523 CarbonylContact O-C 3.5Å; L504-Q523 WeakPolarHBondContact O-CA 3.4Å; L504-K524 PolarHBondContact O-N 3.06Å; L504-P807 HydrophobicContact CD2-CG 3.66Å
505	G	95.3	Very high	88.5	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	149.9	178.3	0	0	0	0	0	113.2	W475 K476	W475-G505 CarbonylContact C-O 3.58Å; W475-G505 WeakPolarHBondContact CA-O 3.34Å; K476-G505 PolarHBondContact N-O 2.78Å
506	C	95.4	Very high	88.5	Confident	7 Å²	7	59.6 Å²	59.6	5%	0.047	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	127.3	173	-175.1	0	0	0	0	109.4	K476 W503 K524 L525 N526	K476-C506 HydrophobicContact CB-CB 4.02Å; K476-C506 HydrophobicContact CD-CB 4.41Å; K476-C506 HydrophobicContact CG-CB 4.46Å; K476-C506 PolarHBondContact O-SG 3.47Å; W503-C506 HydrophobicContact CE3-CB 3.85Å; W503-C506 HydrophobicContact CH2-CB 4.04Å; W503-C506 HydrophobicContact CZ3-CB 3.51Å; C506-K524 PolarHBondContact N-O 3.31Å; C506-K524 VanDerWaalsContact N-O 3.07Å; C506-L525 HydrophobicContact CB-CD1 4.12Å; C506-N526 PolarHBondContact O-OD1 2.86Å
507	W	96.2	Very high	88.6	Confident	23 Å²	23	61.7 Å²	61.7	9%	0.087	31%	0.312	C	S	.	.			trans	-97.5	85.8	160.6	-164.5	-69.1	0	0	0	107.7	W475 S478 T481 V485 N526 L756 L780 I795 L798	W475-W507 HydrophobicContact CZ2-CB 4.09Å; S478-W507 VanDerWaalsContact CB-O 3.22Å; S478-W507 WeakPolarHBondContact CB-O 3.38Å; T481-W507 HydrophobicContact CG2-CB 3.96Å; T481-W507 PolarHBondContact OG1-O 3.04Å; V485-W507 HydrophobicContact CG1-CB 4.3Å; V485-W507 HydrophobicContact CG1-CE3 4.14Å; V485-W507 HydrophobicContact CG2-CD2 4.08Å; V485-W507 HydrophobicContact CG2-CE3 3.82Å; V485-W507 HydrophobicContact CG2-CZ3 4.15Å; W507-N526 VanDerWaalsContact CA-OD1 3.26Å; W507-N526 WeakPolarHBondContact CA-OD1 3.41Å; W507-N526 HydrophobicContact CD2-CB 4.19Å; W507-N526 HydrophobicContact CE3-CB 4.1Å; W507-N526 HydrophobicContact CZ3-CB 4.36Å; W507-L756 HydrophobicContact CH2-CD2 4.22Å; W507-L780 HydrophobicContact CH2-CD1 3.63Å; W507-L780 HydrophobicContact CZ2-CD1 3.37Å; W507-I795 HydrophobicContact CH2-CD1 3.96Å; W507-I795 HydrophobicContact CZ3-CD1 4.03Å; W507-L798 HydrophobicContact CZ3-CD2 4.3Å
508	G	92.9	Very high	88.7	Confident	6 Å²	6	64.9 Å²	64.9	6%	0.062	34%	0.34	C	S	.	.			trans	-95.5	178.1	-166.8	0	0	0	0	0	114.6	V480 N526	V480-G508 VanDerWaalsContact CG2-C 3.47Å; V480-G508 WeakPolarHBondContact CG2-O 3.28Å; G508-N526 PolarHBondContact N-OD1 3.07Å
509	H	91.4	Very high	89.4	Confident	95 Å²	95	54.8 Å²	54.8	44%	0.44	30%	0.297	S	S	.	.			trans	-70.3	162.2	157.4	-73.1	-83.5	0	0	0	110.5	S478 S479 V480	S478-H509 PolarHBondContact OG-CD2 3.14Å; S479-H509 PolarHBondContact OG-NE2 3.19Å; V480-H509 WeakPolarHBondContact CG1-CE1 3.4Å; V480-H509 HydrophobicContact CG2-CB 4.45Å
510	H	88.3	Confident	90.3	Very high	43 Å²	43	48 Å²	48	20%	0.199	27%	0.274	C	S	.	.			trans	-58.8	154.2	160.1	-70.8	-79.3	0	0	0	110.5	H527 T531 F532 E755 S777	H510-H527 AromaticContact CE1-CD2 3.89Å; H510-H527 AromaticContact CE1-CE1 3.25Å; H510-H527 PolarHBondContact CE1-CE1 2.98Å; H510-H527 AromaticContact CE1-CG 3.53Å; H510-H527 AromaticContact CE1-ND1 3.08Å; H510-H527 PolarHBondContact CE1-ND1 2.7Å; H510-H527 AromaticContact CE1-NE2 3.74Å; H510-H527 AromaticContact ND1-CD2 3.98Å; H510-H527 AromaticContact ND1-CG 3.7Å; H510-H527 AromaticContact ND1-ND1 3.75Å; H510-H527 AromaticContact NE2-CE1 3.29Å; H510-H527 PolarHBondContact NE2-CE1 2.82Å; H510-H527 VanDerWaalsContact NE2-CE1 3.29Å; H510-H527 AromaticContact NE2-ND1 3.65Å; H510-H527 AromaticContact NE2-NE2 3.62Å; H510-T531 WeakPolarHBondContact ND1-CG2 3.28Å; H510-F532 HydrophobicContact CB-CE2 4.22Å; H510-F532 HydrophobicContact CB-CZ 3.88Å; H510-F532 AromaticContact CG-CZ 3.92Å; H510-E755 IonicContact CE1-OE1 2.64Å; H510-S777 PolarHBondContact NE2-OG 3.06Å
511	M	90.4	Very high	91.3	Very high	64 Å²	64	47.4 Å²	47.4	32%	0.315	26%	0.262	S	S	.	.			trans	-138.7	149.6	174.1	63.2	-174.4	66.3	0	0	110.3	G515 F516 L525	M511-G515 VanDerWaalsContact SD-C 3.58Å; M511-F516 HydrophobicContact CG-CD2 3.65Å; M511-F516 HydrophobicContact CG-CE2 3.39Å; M511-F516 HydrophobicContact CG-CG 4.47Å; M511-F516 HydrophobicContact CG-CZ 4Å; M511-F516 HydrophobicContact SD-CD2 4.05Å; M511-F516 HydrophobicContact SD-CE2 4.23Å; M511-F516 HydrophobicContact SD-CG 4.32Å; M511-L525 HydrophobicContact CE-CD2 3.55Å; M511-L525 HydrophobicContact SD-CD2 4.18Å
512	K	91.4	Very high	92	Very high	115 Å²	115	44 Å²	44	50%	0.5	24%	0.242	S	C	.	.			trans	-54.2	143.5	171.4	-65.7	-179.8	179.8	170.2	0	109.4	E387 P514 G515	E387-K512 IonicContact OE1-NZ 3.03Å; E387-K512 PolarHBondContact OE1-NZ 2.9Å; K512-P514 VanDerWaalsContact C-CD 3.4Å; K512-P514 VanDerWaalsContact C-N 3.29Å; K512-G515 PolarHBondContact O-N 3.48Å
513	S	93.1	Very high	92.4	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.014	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-51.2	-36.7	-169.2	-69.8	0	0	0	0	114.9	E385 G515 F516 H746	E385-S513 PolarHBondContact OE1-OG 2.97Å; E385-S513 PolarHBondContact OE2-N 3.24Å; S513-G515 VanDerWaalsContact C-N 3.28Å; S513-G515 PolarHBondContact O-N 2.91Å; S513-F516 WeakPolarHBondContact O-CD2 3.49Å; S513-F516 PolarHBondContact O-N 2.86Å; S513-H746 VanDerWaalsContact O-CB 3.29Å; S513-H746 WeakPolarHBondContact O-CB 3.49Å; S513-H746 PolarHBondContact O-CD2 2.58Å; S513-H746 VanDerWaalsContact O-CG 3.31Å
514	P	94.1	Very high	92.6	Very high	78 Å²	78	42.3 Å²	42.3	51%	0.506	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-58.2	-28.2	173.2	-28.7	37.9	0	0	0	116.5	K512 F516 K517	K512-P514 VanDerWaalsContact C-CD 3.4Å; K512-P514 VanDerWaalsContact C-N 3.29Å; P514-F516 PolarHBondContact O-N 3.46Å; P514-K517 WeakPolarHBondContact O-CB 3.39Å; P514-K517 PolarHBondContact O-N 2.97Å
515	G	92.7	Very high	92.7	Very high	32 Å²	32	42 Å²	42	33%	0.33	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-63.4	-27.1	-177.2	0	0	0	0	0	113.9	M511 K512 S513 K517 A518	M511-G515 VanDerWaalsContact SD-C 3.58Å; K512-G515 PolarHBondContact O-N 3.48Å; S513-G515 VanDerWaalsContact C-N 3.28Å; S513-G515 PolarHBondContact O-N 2.91Å; G515-K517 PolarHBondContact O-N 2.79Å; G515-K517 VanDerWaalsContact O-N 3.16Å; G515-A518 WeakPolarHBondContact O-CB 3.32Å; G515-A518 PolarHBondContact O-N 2.99Å; G515-A518 VanDerWaalsContact O-N 3.16Å
516	F	94.6	Very high	92.7	Very high	3 Å²	3	42.3 Å²	42.3	1%	0.013	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-61.8	-22.4	178.4	-74.5	-98.2	0	0	0	113.3	M511 S513 P514 A518 I519 L525 H527 P529 H746 V747	M511-F516 HydrophobicContact CG-CD2 3.65Å; M511-F516 HydrophobicContact CG-CE2 3.39Å; M511-F516 HydrophobicContact CG-CG 4.47Å; M511-F516 HydrophobicContact CG-CZ 4Å; M511-F516 HydrophobicContact SD-CD2 4.05Å; M511-F516 HydrophobicContact SD-CE2 4.23Å; M511-F516 HydrophobicContact SD-CG 4.32Å; S513-F516 WeakPolarHBondContact O-CD2 3.49Å; S513-F516 PolarHBondContact O-N 2.86Å; P514-F516 PolarHBondContact O-N 3.46Å; F516-A518 PolarHBondContact O-N 3.34Å; F516-A518 VanDerWaalsContact O-N 3.16Å; F516-I519 HydrophobicContact CB-CD1 4.29Å; F516-I519 HydrophobicContact CD1-CD1 3.65Å; F516-I519 HydrophobicContact CE1-CD1 4.36Å; F516-I519 HydrophobicContact CG-CD1 4.25Å; F516-I519 WeakPolarHBondContact O-CB 3.43Å; F516-I519 WeakPolarHBondContact O-CG1 3.38Å; F516-I519 PolarHBondContact O-N 2.65Å; F516-L525 HydrophobicContact CD1-CD2 4.33Å; F516-L525 HydrophobicContact CE1-CD2 3.79Å; F516-L525 HydrophobicContact CZ-CD2 4.23Å; F516-H527 WeakPolarHBondContact CE1-O 3.34Å; F516-P529 HydrophobicContact CD1-CB 4.44Å; F516-P529 HydrophobicContact CD1-CG 4.43Å; F516-P529 HydrophobicContact CD2-CB 3.77Å; F516-P529 HydrophobicContact CE1-CB 4.47Å; F516-P529 HydrophobicContact CE2-CB 3.79Å; F516-P529 HydrophobicContact CG-CB 4.11Å; F516-P529 HydrophobicContact CG-CG 4.44Å; F516-P529 HydrophobicContact CZ-CB 4.16Å; F516-H746 CarbonylContact C-O 3.59Å; F516-H746 HydrophobicContact CB-CB 4.18Å; F516-V747 HydrophobicContact CB-CG2 3.75Å; F516-V747 HydrophobicContact CD1-CG2 3.87Å; F516-V747 HydrophobicContact CG-CG2 4.15Å
517	K	93.3	Very high	92.8	Very high	117 Å²	117	42.2 Å²	42.2	51%	0.509	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-63.1	-21.9	177.1	-69.7	179.3	169.2	171.2	0	113.2	P514 G515 I519 M745 H746 K748	P514-K517 WeakPolarHBondContact O-CB 3.39Å; P514-K517 PolarHBondContact O-N 2.97Å; G515-K517 PolarHBondContact O-N 2.79Å; G515-K517 VanDerWaalsContact O-N 3.16Å; K517-I519 VanDerWaalsContact C-N 3.32Å; K517-M745 WeakPolarHBondContact CE-O 3.37Å; K517-M745 PolarHBondContact NZ-O 2.7Å; K517-H746 VanDerWaalsContact CA-O 3.28Å; K517-H746 WeakPolarHBondContact CA-O 3.36Å; K517-H746 HydrophobicContact CG-CB 4.39Å; K517-H746 VanDerWaalsContact CG-O 3.26Å; K517-H746 WeakPolarHBondContact CG-O 3.38Å; K517-H746 PolarHBondContact N-O 3.25Å; K517-K748 VanDerWaalsContact O-CE 3.26Å; K517-K748 WeakPolarHBondContact O-CE 3.45Å; K517-K748 PolarHBondContact O-NZ 2.86Å
518	A	92.2	Very high	92.8	Very high	87 Å²	87	41.2 Å²	41.2	72%	0.719	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-79	-12	176.8	0	0	0	0	0	113.8	G515 F516	G515-A518 WeakPolarHBondContact O-CB 3.32Å; G515-A518 PolarHBondContact O-N 2.99Å; G515-A518 VanDerWaalsContact O-N 3.16Å; F516-A518 PolarHBondContact O-N 3.34Å; F516-A518 VanDerWaalsContact O-N 3.16Å
519	I	91.9	Very high	92.9	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.046	22%	0.224	C	C	.	.			trans	-72.7	137.8	179.9	-55.5	173.8	0	0	0	109.5	W503 F516 K517 Q523 L525 K748	W503-I519 HydrophobicContact CH2-CG2 4.46Å; F516-I519 HydrophobicContact CB-CD1 4.29Å; F516-I519 HydrophobicContact CD1-CD1 3.65Å; F516-I519 HydrophobicContact CE1-CD1 4.36Å; F516-I519 HydrophobicContact CG-CD1 4.25Å; F516-I519 WeakPolarHBondContact O-CB 3.43Å; F516-I519 WeakPolarHBondContact O-CG1 3.38Å; F516-I519 PolarHBondContact O-N 2.65Å; K517-I519 VanDerWaalsContact C-N 3.32Å; I519-Q523 HydrophobicContact CG2-CB 3.66Å; I519-L525 HydrophobicContact CD1-CB 4.07Å; I519-L525 HydrophobicContact CD1-CD2 3.75Å; I519-K748 PolarHBondContact O-NZ 3.37Å
520	G	90.1	Very high	93	Very high	22 Å²	22	36.6 Å²	36.6	23%	0.227	21%	0.205	C	C	.	.			trans	-88.3	164	175	0	0	0	0	0	113.6	H522 Q523 S752	G520-H522 VanDerWaalsContact C-N 3.28Å; G520-H522 PolarHBondContact O-N 2.84Å; G520-Q523 WeakPolarHBondContact O-CB 3.11Å; G520-Q523 PolarHBondContact O-N 3.36Å; G520-S752 PolarHBondContact O-OG 3.29Å
521	E	88	Confident	93.2	Very high	66 Å²	66	34.6 Å²	34.6	31%	0.308	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-24.8	-169.4	-62.9	173.1	-150.1	0	0	114.1	T749 S834	E521-T749 HydrophobicContact CB-CG2 4.06Å; E521-T749 HydrophobicContact CG-CG2 3.84Å; E521-S834 WeakPolarHBondContact OE1-CB 3.41Å; E521-S834 PolarHBondContact OE1-OG 3.08Å
522	H	88.6	Confident	93.3	Very high	59 Å²	59	33.8 Å²	33.8	27%	0.273	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.3	8.3	174.4	-41.1	-45.2	0	0	0	112.9	R450 G520 P807 E811	R450-H522 PolarHBondContact NH2-CE1 3.28Å; R450-H522 PolarHBondContact NH2-ND1 3.03Å; R450-H522 PolarHBondContact NH2-NE2 3.29Å; G520-H522 VanDerWaalsContact C-N 3.28Å; G520-H522 PolarHBondContact O-N 2.84Å; H522-P807 HydrophobicContact CB-CG 3.99Å; H522-E811 IonicContact CD2-OE2 3.61Å; H522-E811 IonicContact NE2-OE2 2.91Å
523	Q	94.1	Very high	93.5	Very high	20 Å²	20	29.4 Å²	29.4	9%	0.093	17%	0.172	C	C	.	.			trans	-90.4	136	173.9	-78.9	168.4	-0.3	0	0	110.2	N501 W503 L504 I519 G520 S752	N501-Q523 PolarHBondContact O-NE2 2.68Å; W503-Q523 HydrophobicContact CD2-CG 3.83Å; W503-Q523 VanDerWaalsContact CE2-CD 3.42Å; W503-Q523 HydrophobicContact CE3-CB 4.07Å; W503-Q523 HydrophobicContact CE3-CG 3.71Å; W503-Q523 HydrophobicContact CH2-CB 3.72Å; W503-Q523 HydrophobicContact CH2-CG 3.97Å; W503-Q523 HydrophobicContact CZ2-CB 4.24Å; W503-Q523 HydrophobicContact CZ2-CG 4.07Å; W503-Q523 VanDerWaalsContact CZ2-OE1 3.28Å; W503-Q523 HydrophobicContact CZ3-CB 3.63Å; W503-Q523 HydrophobicContact CZ3-CG 3.79Å; W503-Q523 WeakPolarHBondContact O-CG 3.43Å; W503-Q523 PolarHBondContact O-NE2 3.12Å; W503-Q523 VanDerWaalsContact O-NE2 3.16Å; L504-Q523 CarbonylContact O-C 3.5Å; L504-Q523 WeakPolarHBondContact O-CA 3.4Å; I519-Q523 HydrophobicContact CG2-CB 3.66Å; G520-Q523 WeakPolarHBondContact O-CB 3.11Å; G520-Q523 PolarHBondContact O-N 3.36Å; Q523-S752 VanDerWaalsContact O-CA 3.28Å; Q523-S752 WeakPolarHBondContact O-CA 3.39Å; Q523-S752 WeakPolarHBondContact O-CB 3.2Å; Q523-S752 PolarHBondContact O-OG 3.23Å; Q523-S752 VanDerWaalsContact O-OG 3.06Å
524	K	95.9	Very high	93.6	Very high	32 Å²	32	29.3 Å²	29.3	14%	0.139	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	128.4	176	-76	173.5	177.4	-78.9	0	111.2	L504 C506 H751 S752 A802 G803 F804	L504-K524 PolarHBondContact O-N 3.06Å; C506-K524 PolarHBondContact N-O 3.31Å; C506-K524 VanDerWaalsContact N-O 3.07Å; K524-H751 PolarHBondContact NZ-O 3.47Å; K524-S752 WeakPolarHBondContact CA-O 3.17Å; K524-A802 WeakPolarHBondContact CE-O 3.42Å; K524-A802 PolarHBondContact NZ-O 3.03Å; K524-G803 WeakPolarHBondContact CE-O 3.36Å; K524-F804 HydrophobicContact CB-CD1 4.29Å; K524-F804 HydrophobicContact CB-CE1 3.63Å; K524-F804 HydrophobicContact CB-CZ 3.99Å; K524-F804 HydrophobicContact CD-CD1 3.9Å; K524-F804 HydrophobicContact CD-CD2 4.38Å; K524-F804 HydrophobicContact CD-CE1 3.95Å; K524-F804 HydrophobicContact CD-CE2 4.43Å; K524-F804 HydrophobicContact CD-CG 4.12Å; K524-F804 HydrophobicContact CD-CZ 4.22Å; K524-F804 HydrophobicContact CG-CE1 4.35Å
525	L	96.1	Very high	93.6	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.016	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.9	175.8	178.6	66.7	0	0	0	109.8	C506 M511 F516 I519 H527 S752 H754	C506-L525 HydrophobicContact CB-CD1 4.12Å; M511-L525 HydrophobicContact CE-CD2 3.55Å; M511-L525 HydrophobicContact SD-CD2 4.18Å; F516-L525 HydrophobicContact CD1-CD2 4.33Å; F516-L525 HydrophobicContact CE1-CD2 3.79Å; F516-L525 HydrophobicContact CZ-CD2 4.23Å; I519-L525 HydrophobicContact CD1-CB 4.07Å; I519-L525 HydrophobicContact CD1-CD2 3.75Å; L525-H527 PolarHBondContact O-N 3.49Å; L525-S752 PolarHBondContact N-O 3Å; L525-H754 PolarHBondContact O-CD2 3.12Å; L525-H754 PolarHBondContact O-N 2.85Å
526	N	96.8	Very high	93.6	Very high	5 Å²	5	26.3 Å²	26.3	3%	0.027	14%	0.144	C	C	.	.	S	Bend	trans	-75.7	22.3	-173.6	71.7	-73.5	0	0	0	115.9	C506 W507 G508 H754	C506-N526 PolarHBondContact O-OD1 2.86Å; W507-N526 VanDerWaalsContact CA-OD1 3.26Å; W507-N526 WeakPolarHBondContact CA-OD1 3.41Å; W507-N526 HydrophobicContact CD2-CB 4.19Å; W507-N526 HydrophobicContact CE3-CB 4.1Å; W507-N526 HydrophobicContact CZ3-CB 4.36Å; G508-N526 PolarHBondContact N-OD1 3.07Å; N526-H754 CarbonylContact C-O 3.56Å; N526-H754 WeakPolarHBondContact CA-O 3.32Å; N526-H754 VanDerWaalsContact O-O 3.13Å
527	H	96.7	Very high	93.6	Very high	5 Å²	5	26.9 Å²	26.9	2%	0.023	15%	0.147	C	C	.	.			trans	-144.7	155.4	179.6	-69	-56.1	0	0	0	112.1	H510 F516 L525 C753 H754 E755 I776	H510-H527 AromaticContact CE1-CD2 3.89Å; H510-H527 AromaticContact CE1-CE1 3.25Å; H510-H527 PolarHBondContact CE1-CE1 2.98Å; H510-H527 AromaticContact CE1-CG 3.53Å; H510-H527 AromaticContact CE1-ND1 3.08Å; H510-H527 PolarHBondContact CE1-ND1 2.7Å; H510-H527 AromaticContact CE1-NE2 3.74Å; H510-H527 AromaticContact ND1-CD2 3.98Å; H510-H527 AromaticContact ND1-CG 3.7Å; H510-H527 AromaticContact ND1-ND1 3.75Å; H510-H527 AromaticContact NE2-CE1 3.29Å; H510-H527 PolarHBondContact NE2-CE1 2.82Å; H510-H527 VanDerWaalsContact NE2-CE1 3.29Å; H510-H527 AromaticContact NE2-ND1 3.65Å; H510-H527 AromaticContact NE2-NE2 3.62Å; F516-H527 WeakPolarHBondContact CE1-O 3.34Å; L525-H527 PolarHBondContact O-N 3.49Å; H527-C753 WeakPolarHBondContact O-CB 3.3Å; H527-H754 PolarHBondContact N-O 3.21Å; H527-E755 IonicContact CE1-OE1 2.64Å; H527-E755 IonicContact CG-OE1 2.69Å; H527-E755 IonicContact ND1-OE1 2.68Å; H527-E755 PolarHBondContact ND1-OE1 2.81Å; H527-I776 PolarHBondContact CE1-O 3.03Å; H527-I776 VanDerWaalsContact CE1-O 3.29Å
528	F	96.6	Very high	93.6	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.009	12%	0.124	C	C	.	.			trans	-102.1	148	168.9	-66.4	-76.3	0	0	0	112.4	G530 T531 V638 Y641 V739 L743 C753 E755	F528-G530 PolarHBondContact O-N 3.36Å; F528-T531 WeakPolarHBondContact O-CB 3.31Å; F528-T531 VanDerWaalsContact O-CG2 3.29Å; F528-T531 WeakPolarHBondContact O-CG2 3.49Å; F528-T531 PolarHBondContact O-N 3.08Å; F528-V638 HydrophobicContact CE2-CB 3.95Å; F528-V638 HydrophobicContact CE2-CG1 3.82Å; F528-V638 WeakPolarHBondContact CE2-O 3.44Å; F528-V638 HydrophobicContact CZ-CB 4.49Å; F528-V638 HydrophobicContact CZ-CG1 4.01Å; F528-V638 WeakPolarHBondContact CZ-O 3.42Å; F528-Y641 AromaticContact CD1-CD2 4Å; F528-Y641 HydrophobicContact CD1-CD2 4Å; F528-Y641 HydrophobicContact CD1-CE2 4.36Å; F528-Y641 HydrophobicContact CD2-CD2 4.01Å; F528-Y641 AromaticContact CD2-CE2 3.58Å; F528-Y641 HydrophobicContact CD2-CE2 3.58Å; F528-Y641 AromaticContact CE1-CD2 3.97Å; F528-Y641 HydrophobicContact CE1-CD2 3.97Å; F528-Y641 AromaticContact CE2-CD2 3.97Å; F528-Y641 HydrophobicContact CE2-CD2 3.97Å; F528-Y641 AromaticContact CE2-CE2 3.75Å; F528-Y641 HydrophobicContact CE2-CE2 3.75Å; F528-Y641 HydrophobicContact CG-CD2 4.02Å; F528-Y641 AromaticContact CG-CE2 3.92Å; F528-Y641 HydrophobicContact CG-CE2 3.92Å; F528-Y641 AromaticContact CZ-CD2 3.95Å; F528-Y641 HydrophobicContact CZ-CD2 3.95Å; F528-Y641 HydrophobicContact CZ-CE2 4.21Å; F528-V739 HydrophobicContact CB-CG1 3.92Å; F528-V739 HydrophobicContact CG-CG1 4.41Å; F528-L743 HydrophobicContact CD1-CD1 3.98Å; F528-L743 HydrophobicContact CD1-CD2 4.11Å; F528-L743 HydrophobicContact CD1-CG 4.43Å; F528-L743 HydrophobicContact CE1-CD1 4.42Å; F528-C753 HydrophobicContact CD1-CB 3.4Å; F528-C753 HydrophobicContact CE1-CB 3.61Å; F528-C753 VanDerWaalsContact CE1-O 3.26Å; F528-C753 WeakPolarHBondContact CE1-O 3.42Å; F528-C753 HydrophobicContact CG-CB 4.27Å; F528-E755 HydrophobicContact CD2-CB 3.41Å; F528-E755 VanDerWaalsContact CD2-CB 3.41Å; F528-E755 HydrophobicContact CD2-CG 4.48Å; F528-E755 WeakPolarHBondContact CD2-OE2 3.47Å; F528-E755 HydrophobicContact CE2-CB 3.6Å; F528-E755 PolarHBondContact N-OE2 2.86Å
529	P	95.7	Very high	93.7	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	138	170.6	29.1	-34.8	0	0	0	110	F516 T531 L742 L743 V747	F516-P529 HydrophobicContact CD1-CB 4.44Å; F516-P529 HydrophobicContact CD1-CG 4.43Å; F516-P529 HydrophobicContact CD2-CB 3.77Å; F516-P529 HydrophobicContact CE1-CB 4.47Å; F516-P529 HydrophobicContact CE2-CB 3.79Å; F516-P529 HydrophobicContact CG-CB 4.11Å; F516-P529 HydrophobicContact CG-CG 4.44Å; F516-P529 HydrophobicContact CZ-CB 4.16Å; P529-T531 VanDerWaalsContact C-N 3.32Å; P529-T531 PolarHBondContact O-N 3.3Å; P529-L742 HydrophobicContact CB-CB 4.19Å; P529-L742 HydrophobicContact CG-CB 4.4Å; P529-L743 HydrophobicContact CG-CB 4.44Å; P529-L743 HydrophobicContact CG-CD2 3.89Å; P529-L743 HydrophobicContact CG-CG 3.87Å; P529-V747 HydrophobicContact CG-CG2 4.17Å
530	G	92.9	Very high	93.9	Very high	4 Å²	4	18.9 Å²	18.9	4%	0.041	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	4.6	-177.4	0	0	0	0	0	116.5	F528 F532 Q533	F528-G530 PolarHBondContact O-N 3.36Å; G530-F532 PolarHBondContact O-N 2.81Å; G530-Q533 VanDerWaalsContact O-CB 3.3Å; G530-Q533 WeakPolarHBondContact O-CB 3.37Å; G530-Q533 VanDerWaalsContact O-CG 3.24Å; G530-Q533 WeakPolarHBondContact O-CG 3.34Å; G530-Q533 PolarHBondContact O-N 3.42Å
531	T	92.6	Very high	94.2	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.012	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-27.5	178	-179.6	0	0	0	0	114.9	H510 F528 P529 Q533 I534 G535 E755 I776	H510-T531 WeakPolarHBondContact ND1-CG2 3.28Å; F528-T531 WeakPolarHBondContact O-CB 3.31Å; F528-T531 VanDerWaalsContact O-CG2 3.29Å; F528-T531 WeakPolarHBondContact O-CG2 3.49Å; F528-T531 PolarHBondContact O-N 3.08Å; P529-T531 VanDerWaalsContact C-N 3.32Å; P529-T531 PolarHBondContact O-N 3.3Å; T531-Q533 PolarHBondContact O-N 3.3Å; T531-I534 WeakPolarHBondContact O-CG2 3.27Å; T531-I534 PolarHBondContact O-N 3.28Å; T531-G535 PolarHBondContact O-N 3.1Å; T531-E755 WeakPolarHBondContact CB-OE1 2.89Å; T531-E755 VanDerWaalsContact CB-OE2 3.22Å; T531-E755 WeakPolarHBondContact CB-OE2 3.48Å; T531-E755 PolarHBondContact OG1-OE1 3.15Å; T531-E755 PolarHBondContact OG1-OE2 2.83Å; T531-I776 HydrophobicContact CG2-CD1 4.34Å; T531-I776 WeakPolarHBondContact OG1-CG2 3.47Å
532	F	92.6	Very high	94.6	Very high	46 Å²	46	21 Å²	21	20%	0.202	9%	0.093	C	C	.	.	H	α-helix	trans	-55.5	-17.3	169.9	-62.8	-75.6	0	0	0	115	H510 G530 I534 R536 R539 I776	H510-F532 HydrophobicContact CB-CE2 4.22Å; H510-F532 HydrophobicContact CB-CZ 3.88Å; H510-F532 AromaticContact CG-CZ 3.92Å; G530-F532 PolarHBondContact O-N 2.81Å; F532-I534 VanDerWaalsContact C-N 3.28Å; F532-I534 PolarHBondContact O-N 2.66Å; F532-R536 HydrophobicContact CB-CG 4.33Å; F532-R536 HydrophobicContact CD1-CG 4.3Å; F532-R536 WeakPolarHBondContact O-CB 3.43Å; F532-R536 PolarHBondContact O-N 2.66Å; F532-R539 WeakPolarHBondContact O-CD 3.43Å; F532-I776 HydrophobicContact CD1-CD1 3.61Å; F532-I776 HydrophobicContact CE1-CD1 3.59Å; F532-I776 HydrophobicContact CG-CD1 4.37Å; F532-I776 HydrophobicContact CZ-CD1 4.3Å
533	Q	95	Very high	95	Very high	23 Å²	23	18.6 Å²	18.6	11%	0.107	8%	0.082	C	C	.	.	H	α-helix	trans	-64.9	-28.2	173.1	-69.2	-72.8	11.4	0	0	113.6	G530 T531 R539 L540 N543 Y738	G530-Q533 VanDerWaalsContact O-CB 3.3Å; G530-Q533 WeakPolarHBondContact O-CB 3.37Å; G530-Q533 VanDerWaalsContact O-CG 3.24Å; G530-Q533 WeakPolarHBondContact O-CG 3.34Å; G530-Q533 PolarHBondContact O-N 3.42Å; T531-Q533 PolarHBondContact O-N 3.3Å; Q533-R539 CarbonylContact O-C 3.59Å; Q533-L540 PolarHBondContact O-N 2.92Å; Q533-N543 PolarHBondContact O-ND2 2.96Å; Q533-N543 PolarHBondContact OE1-ND2 3.02Å; Q533-Y738 HydrophobicContact CG-CG 4.22Å
534	I	95	Very high	95.2	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-100.8	-33.4	170.5	-175.9	169.4	0	0	0	111.7	T531 F532 L540 T731 I732 F757 F759 V774 I776	T531-I534 WeakPolarHBondContact O-CG2 3.27Å; T531-I534 PolarHBondContact O-N 3.28Å; F532-I534 VanDerWaalsContact C-N 3.28Å; F532-I534 PolarHBondContact O-N 2.66Å; I534-L540 HydrophobicContact CG1-CD1 4.27Å; I534-T731 HydrophobicContact CD1-CG2 3.91Å; I534-T731 HydrophobicContact CG1-CG2 4.25Å; I534-I732 HydrophobicContact CD1-CD1 3.6Å; I534-I732 HydrophobicContact CD1-CG1 4.5Å; I534-F757 HydrophobicContact CG2-CD1 4.31Å; I534-F757 HydrophobicContact CG2-CE1 3.72Å; I534-F757 HydrophobicContact CG2-CZ 4.36Å; I534-F759 HydrophobicContact CD1-CE2 4.46Å; I534-F759 HydrophobicContact CD1-CZ 4.01Å; I534-V774 HydrophobicContact CD1-CB 4.38Å; I534-V774 HydrophobicContact CD1-CG1 4.03Å; I534-V774 HydrophobicContact CD1-CG2 4.12Å; I534-V774 HydrophobicContact CG1-CB 3.88Å; I534-V774 HydrophobicContact CG1-CG1 3.91Å; I534-V774 HydrophobicContact CG1-CG2 3.88Å; I534-I776 HydrophobicContact CG2-CG2 4.49Å
535	G	93.7	Very high	95.2	Very high	13 Å²	13	18.3 Å²	18.3	13%	0.134	9%	0.087	C	C	.	.	H	α-helix	trans	-72.9	-41.1	-177.7	0	0	0	0	0	116.4	T531 K537 I776	T531-G535 PolarHBondContact O-N 3.1Å; G535-K537 PolarHBondContact O-N 3.42Å; G535-I776 VanDerWaalsContact CA-CG2 3.48Å
536	R	93.9	Very high	95.2	Very high	35 Å²	35	21.2 Å²	21.2	13%	0.132	10%	0.099	C	C	.	.	S	Bend	trans	-76.3	127.6	180	-79.7	-180	58.1	155.5	-12.5	109.9	E386 F532 D538 R539 L540	E386-R536 IonicContact OE2-CZ 2.88Å; E386-R536 IonicContact OE2-NH1 3.6Å; E386-R536 IonicContact OE2-NH2 3.14Å; E386-R536 PolarHBondContact OE2-NH2 3.31Å; E386-R536 VanDerWaalsContact OE2-NH2 3.15Å; F532-R536 HydrophobicContact CB-CG 4.33Å; F532-R536 HydrophobicContact CD1-CG 4.3Å; F532-R536 WeakPolarHBondContact O-CB 3.43Å; F532-R536 PolarHBondContact O-N 2.66Å; R536-D538 WeakPolarHBondContact CB-OD1 3.24Å; R536-D538 IonicContact CZ-OD1 3.55Å; R536-D538 IonicContact NE-OD1 2.71Å; R536-D538 PolarHBondContact NE-OD1 2.9Å; R536-D538 IonicContact NH2-OD1 2.99Å; R536-D538 IonicContact NH2-OD2 3.32Å; R536-D538 PolarHBondContact O-N 3.27Å; R536-D538 VanDerWaalsContact O-N 3.14Å; R536-R539 HydrophobicContact CB-CB 4.2Å; R536-R539 HydrophobicContact CB-CG 4.19Å; R536-R539 PolarHBondContact O-N 2.93Å; R536-L540 WeakPolarHBondContact O-CB 3.29Å; R536-L540 PolarHBondContact O-N 3.46Å
537	K	93.6	Very high	95.3	Very high	15 Å²	15	21.3 Å²	21.3	7%	0.065	10%	0.099	C	C	.	.	H	α-helix	trans	-59.2	-32.4	-173.3	-62.9	157.4	169.9	60.6	0	112.7	G535 W541 K588 P589 P590 S592 L614 E773	G535-K537 PolarHBondContact O-N 3.42Å; K537-W541 PolarHBondContact O-N 3.11Å; K537-K588 HydrophobicContact CD-CB 4.25Å; K537-K588 HydrophobicContact CD-CD 4.38Å; K537-P589 WeakPolarHBondContact CD-O 3.47Å; K537-P590 WeakPolarHBondContact CB-O 3.45Å; K537-P590 PolarHBondContact N-O 3.49Å; K537-S592 WeakPolarHBondContact CE-O 3.46Å; K537-S592 PolarHBondContact NZ-O 3.4Å; K537-L614 HydrophobicContact CB-CD1 3.81Å; K537-L614 WeakPolarHBondContact O-CD1 3.2Å; K537-E773 WeakPolarHBondContact CE-OE2 3.29Å; K537-E773 IonicContact NZ-OE2 3.22Å; K537-E773 PolarHBondContact NZ-OE2 3.3Å
538	D	93	Very high	95.3	Very high	7 Å²	7	23 Å²	23	4%	0.037	11%	0.108	C	C	.	.	H	α-helix	trans	-76.7	-39.2	177	70	-58.2	0	0	0	112.4	R536 R542 I564 P590 L614	R536-D538 WeakPolarHBondContact CB-OD1 3.24Å; R536-D538 IonicContact CZ-OD1 3.55Å; R536-D538 IonicContact NE-OD1 2.71Å; R536-D538 PolarHBondContact NE-OD1 2.9Å; R536-D538 IonicContact NH2-OD1 2.99Å; R536-D538 IonicContact NH2-OD2 3.32Å; R536-D538 PolarHBondContact O-N 3.27Å; R536-D538 VanDerWaalsContact O-N 3.14Å; D538-R542 WeakPolarHBondContact O-CG 3.18Å; D538-R542 PolarHBondContact O-N 2.9Å; D538-R542 VanDerWaalsContact O-N 3.08Å; D538-R542 PolarHBondContact O-NH1 3.16Å; D538-R542 VanDerWaalsContact O-NH1 3.1Å; D538-R542 IonicContact OD2-CZ 2.59Å; D538-R542 IonicContact OD2-NH1 3.15Å; D538-R542 PolarHBondContact OD2-NH1 3.04Å; D538-R542 IonicContact OD2-NH2 3.85Å; D538-R542 PolarHBondContact OD2-NH2 3.25Å; D538-I564 HydrophobicContact CB-CD1 3.88Å; D538-I564 HydrophobicContact CB-CG1 4.07Å; D538-I564 HydrophobicContact CB-CG2 4.43Å; D538-I564 WeakPolarHBondContact O-CD1 3.14Å; D538-P590 HydrophobicContact CB-CB 4.23Å; D538-L614 HydrophobicContact CB-CD1 4.37Å
539	R	95.5	Very high	95.3	Very high	32 Å²	32	31.2 Å²	31.2	12%	0.121	15%	0.145	C	C	.	.	H	α-helix	trans	-67.5	-46	174.2	-67.4	-175.6	172.4	-164.5	-2.9	111.1	F532 Q533 R536 W541 R542 N543	F532-R539 WeakPolarHBondContact O-CD 3.43Å; Q533-R539 CarbonylContact O-C 3.59Å; R536-R539 HydrophobicContact CB-CB 4.2Å; R536-R539 HydrophobicContact CB-CG 4.19Å; R536-R539 PolarHBondContact O-N 2.93Å; R539-W541 VanDerWaalsContact C-N 3.32Å; R539-W541 PolarHBondContact O-N 3.32Å; R539-R542 PolarHBondContact O-N 3.16Å; R539-R542 VanDerWaalsContact O-N 3.13Å; R539-N543 WeakPolarHBondContact O-CB 3.24Å; R539-N543 VanDerWaalsContact O-CG 3.27Å; R539-N543 PolarHBondContact O-N 3.15Å; R539-N543 PolarHBondContact O-ND2 3.39Å
540	L	96.5	Very high	95.3	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.026	16%	0.164	C	C	.	.	H	α-helix	trans	-52.1	-46.1	172.6	-179.8	61	0	0	0	112.4	Q533 I534 R536 L544 F559 T731 V774	Q533-L540 PolarHBondContact O-N 2.92Å; I534-L540 HydrophobicContact CG1-CD1 4.27Å; R536-L540 WeakPolarHBondContact O-CB 3.29Å; R536-L540 PolarHBondContact O-N 3.46Å; L540-L544 HydrophobicContact CD1-CD1 3.8Å; L540-L544 HydrophobicContact CD1-CG 4.19Å; L540-L544 HydrophobicContact CG-CD1 4.11Å; L540-L544 WeakPolarHBondContact O-CB 3.25Å; L540-L544 WeakPolarHBondContact O-CG 3.49Å; L540-L544 PolarHBondContact O-N 3.13Å; L540-F559 HydrophobicContact CD2-CE2 3.94Å; L540-F559 HydrophobicContact CD2-CZ 4.48Å; L540-F559 HydrophobicContact CG-CE2 4.3Å; L540-T731 HydrophobicContact CD1-CG2 3.68Å; L540-V774 HydrophobicContact CD2-CG2 4.33Å
541	W	95.6	Very high	95.5	Very high	21 Å²	21	38.6 Å²	38.6	8%	0.08	17%	0.173	C	C	.	.	H	α-helix	trans	-66	-45.7	176.3	173.2	-122.8	0	0	0	113	K537 R539 N543 L544 S545 F559 K561 T562	K537-W541 PolarHBondContact O-N 3.11Å; R539-W541 VanDerWaalsContact C-N 3.32Å; R539-W541 PolarHBondContact O-N 3.32Å; W541-N543 VanDerWaalsContact C-N 3.29Å; W541-N543 PolarHBondContact O-N 2.98Å; W541-L544 PolarHBondContact O-N 3.31Å; W541-S545 WeakPolarHBondContact O-CB 3.36Å; W541-S545 PolarHBondContact O-N 2.98Å; W541-F559 HydrophobicContact CB-CE1 3.98Å; W541-F559 HydrophobicContact CB-CZ 4.5Å; W541-F559 HydrophobicContact CD2-CD1 4.3Å; W541-F559 HydrophobicContact CD2-CE1 4.15Å; W541-F559 AromaticContact CE3-CD1 3.34Å; W541-F559 HydrophobicContact CE3-CD1 3.34Å; W541-F559 AromaticContact CE3-CE1 3.62Å; W541-F559 HydrophobicContact CE3-CE1 3.62Å; W541-F559 HydrophobicContact CE3-CG 4.44Å; W541-F559 HydrophobicContact CG-CE1 4.33Å; W541-F559 AromaticContact CZ3-CD1 3.79Å; W541-F559 HydrophobicContact CZ3-CD1 3.79Å; W541-F559 HydrophobicContact CZ3-CE1 4.44Å; W541-K561 HydrophobicContact CH2-CG 4.45Å; W541-T562 HydrophobicContact CB-CG2 4.13Å; W541-T562 HydrophobicContact CD2-CG2 4.12Å; W541-T562 HydrophobicContact CG-CG2 3.73Å; W541-T562 WeakPolarHBondContact CZ2-O 3.46Å; W541-T562 PolarHBondContact NE1-O 2.98Å
542	R	96.1	Very high	95.7	Very high	112 Å²	112	40 Å²	40	42%	0.423	19%	0.188	S	C	.	.	H	α-helix	trans	-57.6	-45.3	177.2	-70.9	-175.8	-158.7	89.1	-8.4	111	D538 R539 S545 K546 I564	D538-R542 WeakPolarHBondContact O-CG 3.18Å; D538-R542 PolarHBondContact O-N 2.9Å; D538-R542 VanDerWaalsContact O-N 3.08Å; D538-R542 PolarHBondContact O-NH1 3.16Å; D538-R542 VanDerWaalsContact O-NH1 3.1Å; D538-R542 IonicContact OD2-CZ 2.59Å; D538-R542 IonicContact OD2-NH1 3.15Å; D538-R542 PolarHBondContact OD2-NH1 3.04Å; D538-R542 IonicContact OD2-NH2 3.85Å; D538-R542 PolarHBondContact OD2-NH2 3.25Å; R539-R542 PolarHBondContact O-N 3.16Å; R539-R542 VanDerWaalsContact O-N 3.13Å; R542-S545 PolarHBondContact O-N 3.16Å; R542-K546 PolarHBondContact O-N 3.23Å; R542-I564 HydrophobicContact CG-CD1 3.77Å
543	N	97.3	Very high	95.7	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.043	21%	0.209	C	C	.	.	H	α-helix	trans	-65.8	-51	-178.4	-67.6	-18.1	0	0	0	111.4	Q533 R539 W541 S545 K546 M547 A734 Y738	Q533-N543 PolarHBondContact O-ND2 2.96Å; Q533-N543 PolarHBondContact OE1-ND2 3.02Å; R539-N543 WeakPolarHBondContact O-CB 3.24Å; R539-N543 VanDerWaalsContact O-CG 3.27Å; R539-N543 PolarHBondContact O-N 3.15Å; R539-N543 PolarHBondContact O-ND2 3.39Å; W541-N543 VanDerWaalsContact C-N 3.29Å; W541-N543 PolarHBondContact O-N 2.98Å; N543-S545 VanDerWaalsContact C-N 3.28Å; N543-S545 PolarHBondContact O-N 3.41Å; N543-K546 WeakPolarHBondContact O-CB 2.9Å; N543-K546 PolarHBondContact O-N 3.3Å; N543-M547 VanDerWaalsContact O-CG 3.28Å; N543-M547 WeakPolarHBondContact O-CG 3.26Å; N543-M547 PolarHBondContact O-N 3.01Å; N543-M547 VanDerWaalsContact O-N 3.11Å; N543-A734 HydrophobicContact CB-CB 4.41Å; N543-Y738 VanDerWaalsContact OD1-CE2 3.25Å; N543-Y738 WeakPolarHBondContact OD1-CE2 3.24Å
544	L	97.4	Very high	95.6	Very high	3 Å²	3	52.3 Å²	52.3	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-63.8	-30.6	175.3	-68.6	176	0	0	0	113.1	L540 W541 Q548 F556 F558 F559 T731 A734	L540-L544 HydrophobicContact CD1-CD1 3.8Å; L540-L544 HydrophobicContact CD1-CG 4.19Å; L540-L544 HydrophobicContact CG-CD1 4.11Å; L540-L544 WeakPolarHBondContact O-CB 3.25Å; L540-L544 WeakPolarHBondContact O-CG 3.49Å; L540-L544 PolarHBondContact O-N 3.13Å; W541-L544 PolarHBondContact O-N 3.31Å; L544-Q548 WeakPolarHBondContact O-CB 3.35Å; L544-Q548 PolarHBondContact O-N 3.04Å; L544-F556 HydrophobicContact CD2-CD1 4.26Å; L544-F558 HydrophobicContact CD1-CE2 4.22Å; L544-F558 HydrophobicContact CD2-CE2 3.79Å; L544-F558 HydrophobicContact CD2-CZ 3.92Å; L544-F559 HydrophobicContact CD1-CB 3.88Å; L544-F559 HydrophobicContact CD1-CD2 3.95Å; L544-F559 HydrophobicContact CD1-CG 3.98Å; L544-T731 HydrophobicContact CD2-CG2 4.48Å; L544-A734 HydrophobicContact CD2-CB 3.98Å
545	S	96.4	Very high	95.7	Very high	44 Å²	44	54.6 Å²	54.6	31%	0.308	26%	0.255	S	S	.	.	H	α-helix	trans	-72.7	-39.7	175.5	-169.7	0	0	0	0	112.5	W541 R542 N543 M547 Q548 H549	W541-S545 WeakPolarHBondContact O-CB 3.36Å; W541-S545 PolarHBondContact O-N 2.98Å; R542-S545 PolarHBondContact O-N 3.16Å; N543-S545 VanDerWaalsContact C-N 3.28Å; N543-S545 PolarHBondContact O-N 3.41Å; S545-M547 VanDerWaalsContact C-N 3.29Å; S545-M547 PolarHBondContact O-N 2.97Å; S545-Q548 PolarHBondContact O-N 3.01Å; S545-H549 PolarHBondContact O-N 3.42Å
546	K	96.8	Very high	95.8	Very high	64 Å²	64	54 Å²	54	28%	0.278	25%	0.249	S	C	.	.	H	α-helix	trans	-56.3	-45.7	170.9	-173.6	-172.4	-175.7	-170.5	0	110.5	R542 N543 H549 R550 E905	R542-K546 PolarHBondContact O-N 3.23Å; N543-K546 WeakPolarHBondContact O-CB 2.9Å; N543-K546 PolarHBondContact O-N 3.3Å; K546-H549 PolarHBondContact O-N 2.84Å; K546-R550 PolarHBondContact O-N 3.08Å; K546-E905 IonicContact NZ-OE1 2.66Å; K546-E905 PolarHBondContact NZ-OE1 3.16Å; K546-E905 IonicContact NZ-OE2 2.86Å; K546-E905 PolarHBondContact NZ-OE2 3.49Å
547	M	97.7	Very high	95.9	Very high	6 Å²	6	55.9 Å²	55.9	3%	0.03	26%	0.261	C	S	.	.	H	α-helix	trans	-67.5	-41.8	177.8	-60.8	-64.4	-84.3	0	0	112.5	N543 S545 H549 R550 F551 F556 I733 A734 F903	N543-M547 VanDerWaalsContact O-CG 3.28Å; N543-M547 WeakPolarHBondContact O-CG 3.26Å; N543-M547 PolarHBondContact O-N 3.01Å; N543-M547 VanDerWaalsContact O-N 3.11Å; S545-M547 VanDerWaalsContact C-N 3.29Å; S545-M547 PolarHBondContact O-N 2.97Å; M547-H549 PolarHBondContact O-N 3.25Å; M547-R550 PolarHBondContact O-N 3.04Å; M547-F551 HydrophobicContact CB-CD2 4.47Å; M547-F551 HydrophobicContact CE-CD2 4.07Å; M547-F551 HydrophobicContact CE-CE2 3.71Å; M547-F551 WeakPolarHBondContact O-CD2 3.44Å; M547-F551 PolarHBondContact O-N 2.86Å; M547-F551 HydrophobicContact SD-CD2 4.21Å; M547-F551 HydrophobicContact SD-CE2 3.82Å; M547-F556 HydrophobicContact CB-CD1 3.66Å; M547-F556 HydrophobicContact CB-CD2 4.12Å; M547-F556 HydrophobicContact CB-CE1 3.53Å; M547-F556 HydrophobicContact CB-CE2 4.05Å; M547-F556 HydrophobicContact CB-CG 3.97Å; M547-F556 HydrophobicContact CB-CZ 3.78Å; M547-F556 HydrophobicContact CE-CE1 4.17Å; M547-F556 HydrophobicContact CE-CE2 4.46Å; M547-F556 HydrophobicContact CE-CZ 3.7Å; M547-F556 HydrophobicContact CG-CE1 4.13Å; M547-F556 HydrophobicContact CG-CZ 4.38Å; M547-I733 HydrophobicContact CE-CG2 4.26Å; M547-A734 HydrophobicContact CG-CB 3.67Å; M547-F903 HydrophobicContact CE-CB 3.99Å; M547-F903 WeakPolarHBondContact CE-O 3.29Å
548	Q	96.9	Very high	96.1	Very high	42 Å²	42	55.6 Å²	55.6	20%	0.196	26%	0.26	C	S	.	.	H	α-helix	trans	-64.3	-26.9	174.4	-168.1	179.8	112.1	0	0	113.1	L544 S545 G552 K553 F556	L544-Q548 WeakPolarHBondContact O-CB 3.35Å; L544-Q548 PolarHBondContact O-N 3.04Å; S545-Q548 PolarHBondContact O-N 3.01Å; Q548-G552 CarbonylContact O-C 3.55Å; Q548-G552 VanDerWaalsContact O-C 3.29Å; Q548-G552 WeakPolarHBondContact O-CA 3.35Å; Q548-G552 PolarHBondContact O-N 3Å; Q548-G552 VanDerWaalsContact O-N 3.15Å; Q548-K553 HydrophobicContact CG-CG 3.93Å; Q548-F556 HydrophobicContact CB-CB 3.8Å; Q548-F556 HydrophobicContact CG-CB 4.15Å; Q548-F556 PolarHBondContact NE2-O 2.75Å
549	H	96.3	Very high	96.3	Very high	173 Å²	173	55.5 Å²	55.5	80%	0.801	26%	0.259	S	S	*	.	H	α-helix	trans	-77.2	-45.1	173.4	-166.9	51.6	0	0	0	111.8	S545 K546 M547	S545-H549 PolarHBondContact O-N 3.42Å; K546-H549 PolarHBondContact O-N 2.84Å; M547-H549 PolarHBondContact O-N 3.25Å
550	R	96.5	Very high	96.3	Very high	106 Å²	106	54.1 Å²	54.1	40%	0.4	26%	0.255	S	S	.	.	H	α-helix	trans	-67	-44.8	178.2	-74.1	178.1	66.3	-154.4	-3.7	113.8	K546 M547 F904 E905	K546-R550 PolarHBondContact O-N 3.08Å; M547-R550 PolarHBondContact O-N 3.04Å; R550-F904 PolarHBondContact NH2-O 2.81Å; R550-E905 IonicContact NH1-OE2 3.61Å
551	F	96.7	Very high	96.1	Very high	53 Å²	53	59.2 Å²	59.2	23%	0.232	28%	0.277	C	S	.	.	S	Bend	trans	-112.5	7.8	-170	-56.5	-69.9	0	0	0	113.6	M547 E555 F556 R902 F903	M547-F551 HydrophobicContact CB-CD2 4.47Å; M547-F551 HydrophobicContact CE-CD2 4.07Å; M547-F551 HydrophobicContact CE-CE2 3.71Å; M547-F551 WeakPolarHBondContact O-CD2 3.44Å; M547-F551 PolarHBondContact O-N 2.86Å; M547-F551 HydrophobicContact SD-CD2 4.21Å; M547-F551 HydrophobicContact SD-CE2 3.82Å; F551-E555 HydrophobicContact CB-CB 4.45Å; F551-F556 HydrophobicContact CB-CD2 3.98Å; F551-F556 HydrophobicContact CB-CE2 3.82Å; F551-F556 AromaticContact CD2-CE2 3.87Å; F551-F556 HydrophobicContact CD2-CE2 3.87Å; F551-F556 HydrophobicContact CD2-CZ 4.48Å; F551-F556 HydrophobicContact CG-CE2 4.17Å; F551-R902 WeakPolarHBondContact CE1-O 3.45Å; F551-R902 WeakPolarHBondContact CZ-O 3.46Å; F551-F903 HydrophobicContact CB-CD1 4.24Å; F551-F903 HydrophobicContact CB-CE1 4.05Å; F551-F903 AromaticContact CD1-CD1 3.77Å; F551-F903 HydrophobicContact CD1-CD1 3.77Å; F551-F903 HydrophobicContact CD1-CE1 4.07Å; F551-F903 AromaticContact CD2-CD1 3.79Å; F551-F903 HydrophobicContact CD2-CD1 3.79Å; F551-F903 HydrophobicContact CD2-CE1 4.44Å; F551-F903 AromaticContact CE1-CD1 3.99Å; F551-F903 HydrophobicContact CE1-CD1 3.99Å; F551-F903 HydrophobicContact CE2-CB 4.38Å; F551-F903 HydrophobicContact CE2-CD1 4.02Å; F551-F903 AromaticContact CG-CD1 3.65Å; F551-F903 HydrophobicContact CG-CD1 3.65Å; F551-F903 AromaticContact CG-CE1 3.94Å; F551-F903 HydrophobicContact CG-CE1 3.94Å; F551-F903 HydrophobicContact CZ-CB 4.48Å; F551-F903 HydrophobicContact CZ-CD1 4.11Å
552	G	96.4	Very high	96.1	Very high	31 Å²	31	58.3 Å²	58.3	32%	0.32	27%	0.273	S	S	.	.	H	α-helix	trans	74.4	176.3	177	0	0	0	0	0	114.9	Q548	Q548-G552 CarbonylContact O-C 3.55Å; Q548-G552 VanDerWaalsContact O-C 3.29Å; Q548-G552 WeakPolarHBondContact O-CA 3.35Å; Q548-G552 PolarHBondContact O-N 3Å; Q548-G552 VanDerWaalsContact O-N 3.15Å
553	K	93.6	Very high	96.1	Very high	145 Å²	145	53.2 Å²	53.2	63%	0.63	25%	0.254	S	S	*	.	H	α-helix	trans	-75.5	-30.3	-174.1	-71.5	167	-173.5	157.6	0	113.4	Q548 E555 F556 N557	Q548-K553 HydrophobicContact CG-CG 3.93Å; K553-E555 VanDerWaalsContact C-N 3.28Å; K553-E555 PolarHBondContact O-N 2.75Å; K553-F556 PolarHBondContact O-N 2.82Å; K553-N557 WeakPolarHBondContact O-CB 3.24Å; K553-N557 PolarHBondContact O-N 3.29Å
554	Q	93.4	Very high	96	Very high	184 Å²	184	53.6 Å²	53.6	86%	0.86	26%	0.256	S	S	*	.	H	α-helix	trans	-64.1	-37.2	-176.5	-53.7	-60.3	22.6	0	0	111.7
555	E	95.8	Very high	95.8	Very high	47 Å²	47	53.9 Å²	53.9	22%	0.22	26%	0.257	C	S	.	.	H	α-helix	trans	-78.7	-32	-180	-64.8	-71.6	-169.2	0	0	113.7	F551 K553 F558 K730 R902 F903	F551-E555 HydrophobicContact CB-CB 4.45Å; K553-E555 VanDerWaalsContact C-N 3.28Å; K553-E555 PolarHBondContact O-N 2.75Å; E555-F558 WeakPolarHBondContact O-CE1 3.38Å; E555-K730 WeakPolarHBondContact O-CD 3.21Å; E555-K730 PolarHBondContact O-NZ 3.42Å; E555-K730 WeakPolarHBondContact OE2-CE 3.26Å; E555-K730 IonicContact OE2-NZ 2.7Å; E555-K730 PolarHBondContact OE2-NZ 2.78Å; E555-R902 IonicContact OE1-CZ 3.64Å; E555-R902 VanDerWaalsContact OE1-CZ 3.23Å; E555-R902 IonicContact OE1-NH1 3.85Å; E555-R902 PolarHBondContact OE1-NH1 2.69Å; E555-R902 IonicContact OE1-NH2 2.85Å; E555-R902 PolarHBondContact OE1-NH2 2.75Å; E555-R902 IonicContact OE2-NH2 3.71Å; E555-F903 HydrophobicContact CB-CE1 4.26Å; E555-F903 HydrophobicContact CB-CZ 4.23Å; E555-F903 HydrophobicContact CG-CE1 4.1Å; E555-F903 HydrophobicContact CG-CZ 4.02Å
556	F	97.3	Very high	95.6	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.009	27%	0.268	C	S	.	.	H	α-helix	trans	-124.4	21.6	-170.2	-72.3	-90.6	0	0	0	115.4	L544 M547 Q548 F551 K553 F558 K730 F903	L544-F556 HydrophobicContact CD2-CD1 4.26Å; M547-F556 HydrophobicContact CB-CD1 3.66Å; M547-F556 HydrophobicContact CB-CD2 4.12Å; M547-F556 HydrophobicContact CB-CE1 3.53Å; M547-F556 HydrophobicContact CB-CE2 4.05Å; M547-F556 HydrophobicContact CB-CG 3.97Å; M547-F556 HydrophobicContact CB-CZ 3.78Å; M547-F556 HydrophobicContact CE-CE1 4.17Å; M547-F556 HydrophobicContact CE-CE2 4.46Å; M547-F556 HydrophobicContact CE-CZ 3.7Å; M547-F556 HydrophobicContact CG-CE1 4.13Å; M547-F556 HydrophobicContact CG-CZ 4.38Å; Q548-F556 HydrophobicContact CB-CB 3.8Å; Q548-F556 HydrophobicContact CG-CB 4.15Å; Q548-F556 PolarHBondContact NE2-O 2.75Å; F551-F556 HydrophobicContact CB-CD2 3.98Å; F551-F556 HydrophobicContact CB-CE2 3.82Å; F551-F556 AromaticContact CD2-CE2 3.87Å; F551-F556 HydrophobicContact CD2-CE2 3.87Å; F551-F556 HydrophobicContact CD2-CZ 4.48Å; F551-F556 HydrophobicContact CG-CE2 4.17Å; K553-F556 PolarHBondContact O-N 2.82Å; F556-F558 VanDerWaalsContact C-N 3.26Å; F556-F558 HydrophobicContact CB-CE1 4.39Å; F556-F558 AromaticContact CD1-CE1 3.79Å; F556-F558 HydrophobicContact CD1-CE1 3.79Å; F556-F558 AromaticContact CD1-CZ 3.68Å; F556-F558 HydrophobicContact CD1-CZ 3.68Å; F556-F558 HydrophobicContact CE1-CE1 4.36Å; F556-F558 HydrophobicContact CE1-CZ 4.13Å; F556-F558 HydrophobicContact CG-CE1 4.27Å; F556-F558 PolarHBondContact O-N 2.93Å; F556-K730 HydrophobicContact CE1-CB 3.72Å; F556-K730 HydrophobicContact CE1-CD 4.36Å; F556-K730 HydrophobicContact CE1-CG 4.25Å; F556-K730 HydrophobicContact CZ-CB 4.04Å; F556-K730 HydrophobicContact CZ-CD 4.21Å; F556-K730 HydrophobicContact CZ-CG 4.08Å; F556-F903 AromaticContact CE2-CD1 3.89Å; F556-F903 HydrophobicContact CE2-CD1 3.89Å; F556-F903 AromaticContact CE2-CE1 3.89Å; F556-F903 HydrophobicContact CE2-CE1 3.89Å; F556-F903 HydrophobicContact CE2-CG 4.42Å; F556-F903 HydrophobicContact CE2-CZ 4.42Å; F556-F903 HydrophobicContact CZ-CD1 4.2Å; F556-F903 HydrophobicContact CZ-CG 4.29Å
557	N	95.4	Very high	95.4	Very high	73 Å²	73	59.1 Å²	59.1	39%	0.39	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87	50.7	174.2	176.9	35.6	0	0	0	112.1	K553 K768	K553-N557 WeakPolarHBondContact O-CB 3.24Å; K553-N557 PolarHBondContact O-N 3.29Å; N557-K768 WeakPolarHBondContact O-CE 3.4Å; N557-K768 PolarHBondContact O-NZ 3.03Å
558	F	97.3	Very high	95.3	Very high	10 Å²	10	60.6 Å²	60.6	4%	0.044	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-3.4	178.2	55.3	-109.7	0	0	0	114.2	L544 E555 F556 I727 K730 W770 I771	L544-F558 HydrophobicContact CD1-CE2 4.22Å; L544-F558 HydrophobicContact CD2-CE2 3.79Å; L544-F558 HydrophobicContact CD2-CZ 3.92Å; E555-F558 WeakPolarHBondContact O-CE1 3.38Å; F556-F558 VanDerWaalsContact C-N 3.26Å; F556-F558 HydrophobicContact CB-CE1 4.39Å; F556-F558 AromaticContact CD1-CE1 3.79Å; F556-F558 HydrophobicContact CD1-CE1 3.79Å; F556-F558 AromaticContact CD1-CZ 3.68Å; F556-F558 HydrophobicContact CD1-CZ 3.68Å; F556-F558 HydrophobicContact CE1-CE1 4.36Å; F556-F558 HydrophobicContact CE1-CZ 4.13Å; F556-F558 HydrophobicContact CG-CE1 4.27Å; F556-F558 PolarHBondContact O-N 2.93Å; F558-I727 HydrophobicContact CB-CD1 3.74Å; F558-I727 HydrophobicContact CB-CG1 3.66Å; F558-I727 HydrophobicContact CD1-CG1 4Å; F558-I727 HydrophobicContact CD2-CB 4.42Å; F558-I727 HydrophobicContact CD2-CG1 4.01Å; F558-I727 HydrophobicContact CD2-CG2 3.92Å; F558-I727 HydrophobicContact CE2-CG2 4.18Å; F558-I727 HydrophobicContact CG-CB 4.49Å; F558-I727 HydrophobicContact CG-CD1 4.27Å; F558-I727 HydrophobicContact CG-CG1 3.65Å; F558-I727 HydrophobicContact CG-CG2 4.43Å; F558-K730 HydrophobicContact CE1-CB 3.99Å; F558-K730 HydrophobicContact CE1-CD 3.81Å; F558-K730 HydrophobicContact CZ-CB 3.82Å; F558-K730 HydrophobicContact CZ-CD 4.49Å; F558-W770 CarbonylContact O-C 3.56Å; F558-W770 VanDerWaalsContact O-CA 3.27Å; F558-W770 WeakPolarHBondContact O-CA 3.3Å; F558-I771 HydrophobicContact CD2-CG2 3.7Å; F558-I771 HydrophobicContact CE2-CG2 4.11Å; F558-I771 PolarHBondContact O-N 3.29Å
559	F	96.7	Very high	95.1	Very high	5 Å²	5	62.1 Å²	62.1	2%	0.022	30%	0.302	C	S	.	.	S	Bend	trans	-107.7	134.6	169.5	-168.3	-100.8	0	0	0	109.9	L540 W541 L544 K561 T562 Q616 I771	L540-F559 HydrophobicContact CD2-CE2 3.94Å; L540-F559 HydrophobicContact CD2-CZ 4.48Å; L540-F559 HydrophobicContact CG-CE2 4.3Å; W541-F559 HydrophobicContact CB-CE1 3.98Å; W541-F559 HydrophobicContact CB-CZ 4.5Å; W541-F559 HydrophobicContact CD2-CD1 4.3Å; W541-F559 HydrophobicContact CD2-CE1 4.15Å; W541-F559 AromaticContact CE3-CD1 3.34Å; W541-F559 HydrophobicContact CE3-CD1 3.34Å; W541-F559 AromaticContact CE3-CE1 3.62Å; W541-F559 HydrophobicContact CE3-CE1 3.62Å; W541-F559 HydrophobicContact CE3-CG 4.44Å; W541-F559 HydrophobicContact CG-CE1 4.33Å; W541-F559 AromaticContact CZ3-CD1 3.79Å; W541-F559 HydrophobicContact CZ3-CD1 3.79Å; W541-F559 HydrophobicContact CZ3-CE1 4.44Å; L544-F559 HydrophobicContact CD1-CB 3.88Å; L544-F559 HydrophobicContact CD1-CD2 3.95Å; L544-F559 HydrophobicContact CD1-CG 3.98Å; F559-K561 PolarHBondContact O-N 3.45Å; F559-T562 HydrophobicContact CE1-CG2 4.39Å; F559-T562 WeakPolarHBondContact CE1-OG1 3.46Å; F559-Q616 VanDerWaalsContact CE1-NE2 3.27Å; F559-Q616 VanDerWaalsContact CZ-NE2 3.26Å; F559-I771 HydrophobicContact CB-CG2 4.32Å; F559-I771 HydrophobicContact CD2-CG2 3.83Å; F559-I771 WeakPolarHBondContact CD2-O 3.42Å
560	P	95.5	Very high	95	Very high	3 Å²	3	62.3 Å²	62.3	2%	0.019	30%	0.3	C	S	.	.			trans	-64.9	135.2	-179.5	-19.1	31.1	0	0	0	111.6	T562 Q616 L619 W770 I771	P560-T562 PolarHBondContact O-N 2.84Å; P560-T562 PolarHBondContact O-OG1 3.05Å; P560-Q616 HydrophobicContact CB-CG 3.8Å; P560-Q616 HydrophobicContact CG-CG 4.45Å; P560-L619 HydrophobicContact CB-CD2 4.47Å; P560-L619 HydrophobicContact CG-CD1 4.26Å; P560-L619 HydrophobicContact CG-CD2 4.14Å; P560-L619 HydrophobicContact CG-CG 4.18Å; P560-W770 HydrophobicContact CG-CE3 4.14Å; P560-I771 WeakPolarHBondContact CD-O 3.28Å
561	K	93.9	Very high	95	Very high	112 Å²	112	62.3 Å²	62.3	49%	0.487	31%	0.308	S	S	.	.			trans	-49.9	128.2	-178	-171.5	-178.2	-174.7	-173.9	0	111	W541 F559 F563 K617	W541-K561 HydrophobicContact CH2-CG 4.45Å; F559-K561 PolarHBondContact O-N 3.45Å; K561-F563 HydrophobicContact CD-CE2 4.42Å; K561-F563 HydrophobicContact CD-CZ 3.92Å; K561-F563 VanDerWaalsContact CE-CZ 3.4Å; K561-F563 HydrophobicContact CG-CE2 4.42Å; K561-F563 HydrophobicContact CG-CZ 4.24Å; K561-K617 PolarHBondContact O-N 3.21Å
562	T	96	Very high	94.8	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.006	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	157.8	-167.7	-67.5	0	0	0	0	110.9	W541 F559 P560 L614 V615 Q616	W541-T562 HydrophobicContact CB-CG2 4.13Å; W541-T562 HydrophobicContact CD2-CG2 4.12Å; W541-T562 HydrophobicContact CG-CG2 3.73Å; W541-T562 WeakPolarHBondContact CZ2-O 3.46Å; W541-T562 PolarHBondContact NE1-O 2.98Å; F559-T562 HydrophobicContact CE1-CG2 4.39Å; F559-T562 WeakPolarHBondContact CE1-OG1 3.46Å; P560-T562 PolarHBondContact O-N 2.84Å; P560-T562 PolarHBondContact O-OG1 3.05Å; T562-L614 HydrophobicContact CG2-CD1 3.7Å; T562-L614 HydrophobicContact CG2-CD2 3.56Å; T562-L614 HydrophobicContact CG2-CG 3.41Å; T562-L614 VanDerWaalsContact CG2-CG 3.41Å; T562-V615 CarbonylContact C-O 3.55Å; T562-V615 WeakPolarHBondContact CA-O 3.38Å; T562-Q616 HydrophobicContact CG2-CB 4.45Å; T562-Q616 WeakPolarHBondContact OG1-CB 3.29Å; T562-Q616 VanDerWaalsContact OG1-CG 3.31Å; T562-Q616 WeakPolarHBondContact OG1-CG 3.34Å; T562-Q616 PolarHBondContact OG1-NE2 3.4Å
563	F	95.4	Very high	94.6	Very high	6 Å²	6	63.5 Å²	63.5	3%	0.026	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	132.3	178.2	-57.1	-79.6	0	0	0	109.5	K561 D568 L571 L572 A575 W585 L614 V615	K561-F563 HydrophobicContact CD-CE2 4.42Å; K561-F563 HydrophobicContact CD-CZ 3.92Å; K561-F563 VanDerWaalsContact CE-CZ 3.4Å; K561-F563 HydrophobicContact CG-CE2 4.42Å; K561-F563 HydrophobicContact CG-CZ 4.24Å; F563-D568 WeakPolarHBondContact CA-OD2 3.45Å; F563-D568 HydrophobicContact CB-CB 3.76Å; F563-D568 HydrophobicContact CD1-CB 4.06Å; F563-D568 HydrophobicContact CG-CB 4.41Å; F563-L571 HydrophobicContact CD1-CB 3.93Å; F563-L571 HydrophobicContact CE1-CB 3.8Å; F563-L572 HydrophobicContact CB-CB 4.06Å; F563-L572 HydrophobicContact CB-CD1 4.47Å; F563-L572 HydrophobicContact CD1-CB 4.26Å; F563-L572 HydrophobicContact CD2-CB 4.1Å; F563-L572 HydrophobicContact CD2-CD1 3.49Å; F563-L572 VanDerWaalsContact CD2-CD1 3.49Å; F563-L572 HydrophobicContact CD2-CG 4.38Å; F563-L572 HydrophobicContact CE2-CD1 3.9Å; F563-L572 HydrophobicContact CG-CB 3.88Å; F563-L572 HydrophobicContact CG-CD1 4.13Å; F563-A575 HydrophobicContact CE1-CB 4.26Å; F563-A575 HydrophobicContact CE2-CB 3.98Å; F563-A575 HydrophobicContact CZ-CB 3.38Å; F563-W585 HydrophobicContact CD2-CZ3 4.22Å; F563-W585 AromaticContact CE2-CH2 3.9Å; F563-W585 HydrophobicContact CE2-CH2 3.9Å; F563-W585 AromaticContact CE2-CZ3 3.7Å; F563-W585 HydrophobicContact CE2-CZ3 3.7Å; F563-L614 WeakPolarHBondContact O-CA 3.28Å; F563-V615 PolarHBondContact N-O 2.99Å; F563-V615 PolarHBondContact O-N 2.83Å
564	I	95	Very high	94.6	Very high	15 Å²	15	62.8 Å²	62.8	8%	0.077	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	115.9	178.2	-60.6	162.5	0	0	0	108.6	D538 R542 Q567 D568	D538-I564 HydrophobicContact CB-CD1 3.88Å; D538-I564 HydrophobicContact CB-CG1 4.07Å; D538-I564 HydrophobicContact CB-CG2 4.43Å; D538-I564 WeakPolarHBondContact O-CD1 3.14Å; R542-I564 HydrophobicContact CG-CD1 3.77Å; I564-Q567 PolarHBondContact O-N 2.9Å; I564-D568 PolarHBondContact N-OD2 2.8Å; I564-D568 WeakPolarHBondContact O-CB 3.27Å; I564-D568 PolarHBondContact O-N 3.06Å
565	L	93.2	Very high	94.6	Very high	9 Å²	9	54.4 Å²	54.4	5%	0.047	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	143.6	179.9	-56.9	-173.2	0	0	0	110.8	I569 L572 L607 P612 L613 V615	L565-I569 HydrophobicContact CD2-CB 3.86Å; L565-I569 HydrophobicContact CD2-CG1 4.23Å; L565-L572 HydrophobicContact CD1-CD2 3.97Å; L565-L572 HydrophobicContact CD2-CB 4.48Å; L565-L572 HydrophobicContact CD2-CD2 3.91Å; L565-L572 HydrophobicContact CG-CD2 4.4Å; L565-L607 HydrophobicContact CD1-CD1 3.88Å; L565-L607 HydrophobicContact CD1-CD2 3.95Å; L565-L607 HydrophobicContact CD1-CG 4.32Å; L565-P612 WeakPolarHBondContact O-CA 3.34Å; L565-L613 HydrophobicContact CB-CB 4.44Å; L565-L613 WeakPolarHBondContact CB-O 3.49Å; L565-L613 PolarHBondContact N-O 2.71Å; L565-L613 PolarHBondContact O-N 2.99Å; L565-V615 HydrophobicContact CD1-CG2 3.62Å; L565-V615 HydrophobicContact CG-CG2 4.13Å
566	P	92.3	Very high	94.4	Very high	81 Å²	81	53.5 Å²	53.5	53%	0.526	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	cis	-80.8	-15.8	9.9	31.7	-37.3	0	0	0	116.5	D568 I569	P566-D568 PolarHBondContact O-N 2.7Å; P566-I569 WeakPolarHBondContact O-CB 3.21Å; P566-I569 VanDerWaalsContact O-CG2 3.29Å; P566-I569 WeakPolarHBondContact O-CG2 3.35Å; P566-I569 PolarHBondContact O-N 2.71Å
567	Q	93.1	Very high	94	Very high	137 Å²	137	58.9 Å²	58.9	64%	0.64	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-52.8	-167	-66.4	77.9	4.9	0	0	113	I564 I569	I564-Q567 PolarHBondContact O-N 2.9Å; Q567-I569 PolarHBondContact O-N 3.02Å
568	D	94.8	Very high	93.6	Very high	37 Å²	37	60.8 Å²	60.8	20%	0.198	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	8.7	-175.5	-68.9	-23.6	0	0	0	113.8	F563 I564 P566 K570 L571 L572	F563-D568 WeakPolarHBondContact CA-OD2 3.45Å; F563-D568 HydrophobicContact CB-CB 3.76Å; F563-D568 HydrophobicContact CD1-CB 4.06Å; F563-D568 HydrophobicContact CG-CB 4.41Å; I564-D568 PolarHBondContact N-OD2 2.8Å; I564-D568 WeakPolarHBondContact O-CB 3.27Å; I564-D568 PolarHBondContact O-N 3.06Å; P566-D568 PolarHBondContact O-N 2.7Å; D568-K570 PolarHBondContact O-N 2.7Å; D568-K570 VanDerWaalsContact O-N 3.08Å; D568-L571 HydrophobicContact CB-CB 4.5Å; D568-L571 CarbonylContact O-C 2.76Å; D568-L571 WeakPolarHBondContact O-CA 3.42Å; D568-L571 WeakPolarHBondContact O-CB 3.22Å; D568-L571 PolarHBondContact O-N 2.79Å; D568-L572 PolarHBondContact O-N 3.38Å
569	I	93.1	Very high	92.7	Very high	74 Å²	74	61.4 Å²	61.4	38%	0.379	30%	0.295	S	S	.	.	H	α-helix	trans	-58.9	-30.9	-171.3	-162	169	0	0	0	113.5	L565 P566 Q567 R573 W604	L565-I569 HydrophobicContact CD2-CB 3.86Å; L565-I569 HydrophobicContact CD2-CG1 4.23Å; P566-I569 WeakPolarHBondContact O-CB 3.21Å; P566-I569 VanDerWaalsContact O-CG2 3.29Å; P566-I569 WeakPolarHBondContact O-CG2 3.35Å; P566-I569 PolarHBondContact O-N 2.71Å; Q567-I569 PolarHBondContact O-N 3.02Å; I569-R573 VanDerWaalsContact O-CB 3.29Å; I569-R573 WeakPolarHBondContact O-CB 3.21Å; I569-R573 PolarHBondContact O-N 3.18Å; I569-W604 HydrophobicContact CG1-CH2 4.23Å; I569-W604 HydrophobicContact CG1-CZ2 4.28Å
570	K	94.4	Very high	91.6	Very high	177 Å²	177	63 Å²	63	77%	0.77	31%	0.314	S	S	*	.	H	α-helix	trans	-68.8	-40.9	173.5	-64.2	-178.3	-179.5	178.9	0	111.8	D568 R573 K574	D568-K570 PolarHBondContact O-N 2.7Å; D568-K570 VanDerWaalsContact O-N 3.08Å; K570-R573 PolarHBondContact O-N 3.08Å; K570-K574 PolarHBondContact O-N 3.09Å; K570-K574 VanDerWaalsContact O-N 3.13Å
571	L	94.8	Very high	90.4	Very high	106 Å²	106	67.7 Å²	67.7	56%	0.555	35%	0.346	S	S	*	.	H	α-helix	trans	-72.1	-38.7	178.4	-59.4	177.9	0	0	0	111.7	F563 D568 A575	F563-L571 HydrophobicContact CD1-CB 3.93Å; F563-L571 HydrophobicContact CE1-CB 3.8Å; D568-L571 HydrophobicContact CB-CB 4.5Å; D568-L571 CarbonylContact O-C 2.76Å; D568-L571 WeakPolarHBondContact O-CA 3.42Å; D568-L571 WeakPolarHBondContact O-CB 3.22Å; D568-L571 PolarHBondContact O-N 2.79Å; L571-A575 WeakPolarHBondContact O-CB 3.46Å; L571-A575 PolarHBondContact O-N 2.92Å
572	L	93.8	Very high	89.4	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-62.1	-45.6	171.6	175.4	64	0	0	0	110.7	F563 L565 D568 A575 W576 W604 L607 V615	F563-L572 HydrophobicContact CB-CB 4.06Å; F563-L572 HydrophobicContact CB-CD1 4.47Å; F563-L572 HydrophobicContact CD1-CB 4.26Å; F563-L572 HydrophobicContact CD2-CB 4.1Å; F563-L572 HydrophobicContact CD2-CD1 3.49Å; F563-L572 VanDerWaalsContact CD2-CD1 3.49Å; F563-L572 HydrophobicContact CD2-CG 4.38Å; F563-L572 HydrophobicContact CE2-CD1 3.9Å; F563-L572 HydrophobicContact CG-CB 3.88Å; F563-L572 HydrophobicContact CG-CD1 4.13Å; L565-L572 HydrophobicContact CD1-CD2 3.97Å; L565-L572 HydrophobicContact CD2-CB 4.48Å; L565-L572 HydrophobicContact CD2-CD2 3.91Å; L565-L572 HydrophobicContact CG-CD2 4.4Å; D568-L572 PolarHBondContact O-N 3.38Å; L572-A575 CarbonylContact O-C 3.58Å; L572-A575 PolarHBondContact O-N 3.07Å; L572-W576 HydrophobicContact CD1-CE3 4.16Å; L572-W576 VanDerWaalsContact O-CB 3.3Å; L572-W576 WeakPolarHBondContact O-CB 3.36Å; L572-W576 PolarHBondContact O-N 2.54Å; L572-W604 HydrophobicContact CD2-CH2 4.36Å; L572-W604 HydrophobicContact CD2-CZ3 4.3Å; L572-W604 HydrophobicContact CG-CH2 4.35Å; L572-W604 HydrophobicContact CG-CZ3 4.05Å; L572-L607 HydrophobicContact CD2-CD2 4.12Å; L572-V615 HydrophobicContact CD1-CB 4.2Å; L572-V615 HydrophobicContact CD1-CG1 3.7Å; L572-V615 HydrophobicContact CD2-CB 4.02Å; L572-V615 HydrophobicContact CD2-CG1 4.04Å; L572-V615 HydrophobicContact CD2-CG2 3.96Å
573	R	92.8	Very high	88.9	Confident	110 Å²	110	75.5 Å²	75.5	42%	0.415	38%	0.38	S	S	.	.	H	α-helix	trans	-54.6	-58.9	176.8	173.7	177.5	-60.7	-70	0.5	111.4	I569 K570 A575 W576 E577 W604	I569-R573 VanDerWaalsContact O-CB 3.29Å; I569-R573 WeakPolarHBondContact O-CB 3.21Å; I569-R573 PolarHBondContact O-N 3.18Å; K570-R573 PolarHBondContact O-N 3.08Å; R573-A575 VanDerWaalsContact C-N 3.31Å; R573-A575 PolarHBondContact O-N 2.79Å; R573-W576 WeakPolarHBondContact O-CA 3.48Å; R573-W576 VanDerWaalsContact O-CB 3.29Å; R573-W576 WeakPolarHBondContact O-CB 3.17Å; R573-W576 PolarHBondContact O-N 2.98Å; R573-E577 WeakPolarHBondContact CD-OE1 3Å; R573-E577 VanDerWaalsContact CG-CD 3.46Å; R573-E577 WeakPolarHBondContact CG-OE1 3.49Å; R573-E577 WeakPolarHBondContact CG-OE2 3.39Å; R573-E577 IonicContact NH1-OE1 3.51Å; R573-E577 PolarHBondContact O-N 3.25Å; R573-W604 HydrophobicContact CB-CH2 3.92Å; R573-W604 HydrophobicContact CB-CZ3 4.25Å
574	K	93.6	Very high	88.8	Confident	130 Å²	130	75.7 Å²	75.7	57%	0.565	38%	0.381	S	S	*	.	H	α-helix	trans	-55.3	-48.2	178.1	174.9	166.4	-178.9	170.9	0	111.1	K570 W576 E577 D578	K570-K574 PolarHBondContact O-N 3.09Å; K570-K574 VanDerWaalsContact O-N 3.13Å; K574-W576 PolarHBondContact O-N 3.29Å; K574-E577 PolarHBondContact O-N 3.1Å; K574-E577 VanDerWaalsContact O-N 3.16Å; K574-D578 WeakPolarHBondContact CG-OD2 3.39Å; K574-D578 WeakPolarHBondContact O-CB 3.37Å; K574-D578 PolarHBondContact O-N 3.5Å
575	A	92.8	Very high	88.8	Confident	7 Å²	7	75.4 Å²	75.4	6%	0.058	38%	0.379	C	S	.	.	H	α-helix	trans	-67	-17.1	178.9	0	0	0	0	0	114.5	F563 L571 L572 R573 S579 W585	F563-A575 HydrophobicContact CE1-CB 4.26Å; F563-A575 HydrophobicContact CE2-CB 3.98Å; F563-A575 HydrophobicContact CZ-CB 3.38Å; L571-A575 WeakPolarHBondContact O-CB 3.46Å; L571-A575 PolarHBondContact O-N 2.92Å; L572-A575 CarbonylContact O-C 3.58Å; L572-A575 PolarHBondContact O-N 3.07Å; R573-A575 VanDerWaalsContact C-N 3.31Å; R573-A575 PolarHBondContact O-N 2.79Å; A575-S579 WeakPolarHBondContact O-CB 3.43Å; A575-S579 PolarHBondContact O-OG 2.79Å; A575-W585 HydrophobicContact CB-CH2 4.48Å
576	W	90.9	Very high	88.9	Confident	28 Å²	28	75.6 Å²	75.6	11%	0.106	38%	0.38	C	S	.	.	H	α-helix	trans	-81.5	-42.3	172.5	-163.3	-64.7	0	0	0	110.8	L572 R573 K574 S579 G580 W585 I601 W604	L572-W576 HydrophobicContact CD1-CE3 4.16Å; L572-W576 VanDerWaalsContact O-CB 3.3Å; L572-W576 WeakPolarHBondContact O-CB 3.36Å; L572-W576 PolarHBondContact O-N 2.54Å; R573-W576 WeakPolarHBondContact O-CA 3.48Å; R573-W576 VanDerWaalsContact O-CB 3.29Å; R573-W576 WeakPolarHBondContact O-CB 3.17Å; R573-W576 PolarHBondContact O-N 2.98Å; K574-W576 PolarHBondContact O-N 3.29Å; W576-S579 WeakPolarHBondContact O-CB 3.4Å; W576-S579 PolarHBondContact O-N 2.87Å; W576-G580 PolarHBondContact O-N 3.15Å; W576-W585 AromaticContact CD2-NE1 3.69Å; W576-W585 AromaticContact CE3-CD1 3.59Å; W576-W585 HydrophobicContact CE3-CD2 4.4Å; W576-W585 HydrophobicContact CE3-CG 4.15Å; W576-W585 AromaticContact CE3-NE1 3.47Å; W576-W585 HydrophobicContact CH2-CB 4.49Å; W576-W585 AromaticContact CH2-CD1 3.4Å; W576-W585 HydrophobicContact CH2-CG 4.13Å; W576-W585 AromaticContact CZ2-CD1 3.89Å; W576-W585 HydrophobicContact CZ3-CB 4.19Å; W576-W585 AromaticContact CZ3-CD1 3.23Å; W576-W585 HydrophobicContact CZ3-CD2 4.35Å; W576-W585 AromaticContact CZ3-CG 3.68Å; W576-W585 HydrophobicContact CZ3-CG 3.68Å; W576-W585 AromaticContact CZ3-NE1 3.66Å; W576-I601 HydrophobicContact CH2-CD1 3.7Å; W576-I601 HydrophobicContact CH2-CG1 4.09Å; W576-I601 HydrophobicContact CZ3-CD1 4.05Å; W576-W604 HydrophobicContact CB-CE3 4.32Å; W576-W604 HydrophobicContact CB-CZ3 4.26Å; W576-W604 AromaticContact CD2-CE3 3.81Å; W576-W604 HydrophobicContact CD2-CE3 3.81Å; W576-W604 HydrophobicContact CD2-CZ3 4.34Å; W576-W604 AromaticContact CE3-CE3 3.89Å; W576-W604 HydrophobicContact CE3-CE3 3.89Å; W576-W604 HydrophobicContact CE3-CZ3 4.16Å; W576-W604 HydrophobicContact CG-CE3 4Å; W576-W604 HydrophobicContact CG-CZ3 4.39Å
577	E	89.8	Confident	89	Confident	116 Å²	116	71.9 Å²	71.9	54%	0.542	36%	0.356	S	S	.	.	H	α-helix	trans	-66.5	-53.2	176.3	-71.7	149.6	-172.8	0	0	110.6	R573 K574 S579 G580	R573-E577 WeakPolarHBondContact CD-OE1 3Å; R573-E577 VanDerWaalsContact CG-CD 3.46Å; R573-E577 WeakPolarHBondContact CG-OE1 3.49Å; R573-E577 WeakPolarHBondContact CG-OE2 3.39Å; R573-E577 IonicContact NH1-OE1 3.51Å; R573-E577 PolarHBondContact O-N 3.25Å; K574-E577 PolarHBondContact O-N 3.1Å; K574-E577 VanDerWaalsContact O-N 3.16Å; E577-S579 PolarHBondContact O-N 3.05Å; E577-G580 PolarHBondContact O-N 3.4Å; E577-G580 VanDerWaalsContact O-N 3.15Å
578	D	87.1	Confident	89	Confident	112 Å²	112	65.9 Å²	65.9	60%	0.599	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-19	171.1	-64	-17.2	0	0	0	113.4	K574	K574-D578 WeakPolarHBondContact CG-OD2 3.39Å; K574-D578 WeakPolarHBondContact O-CB 3.37Å; K574-D578 PolarHBondContact O-N 3.5Å
579	S	77.6	Confident	88.7	Confident	23 Å²	23	65.6 Å²	65.6	16%	0.161	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-18.7	-174.2	-77.8	0	0	0	0	115.3	A575 W576 E577 K583	A575-S579 WeakPolarHBondContact O-CB 3.43Å; A575-S579 PolarHBondContact O-OG 2.79Å; W576-S579 WeakPolarHBondContact O-CB 3.4Å; W576-S579 PolarHBondContact O-N 2.87Å; E577-S579 PolarHBondContact O-N 3.05Å; S579-K583 VanDerWaalsContact CB-CD 3.5Å; S579-K583 WeakPolarHBondContact O-CE 3.44Å; S579-K583 WeakPolarHBondContact OG-CD 3.33Å; S579-K583 WeakPolarHBondContact OG-CE 3.45Å; S579-K583 PolarHBondContact OG-NZ 2.88Å
580	G	74.5	Confident	88.2	Confident	40 Å²	40	63.1 Å²	63.1	41%	0.412	32%	0.316	S	S	.	.			trans	64.2	167.1	-169.6	0	0	0	0	0	114.2	W576 E577 K582	W576-G580 PolarHBondContact O-N 3.15Å; E577-G580 PolarHBondContact O-N 3.4Å; E577-G580 VanDerWaalsContact O-N 3.15Å; G580-K582 PolarHBondContact O-N 3.16Å
581	S	69.1	Low	87.5	Confident	101 Å²	101	57 Å²	57	71%	0.706	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-1.6	-173.1	56.6	0	0	0	0	116.1
582	K	73.4	Confident	86.9	Confident	186 Å²	186	53.2 Å²	53.2	81%	0.809	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	-13	-176	-66.6	-177.9	-179.5	176.2	0	114.4	G580 M665	G580-K582 PolarHBondContact O-N 3.16Å; K582-M665 WeakPolarHBondContact O-CE 3.41Å
583	K	86.4	Confident	86	Confident	91 Å²	91	54.3 Å²	54.3	40%	0.396	29%	0.29	S	S	.	.			trans	-82.7	145.1	-179	-63.8	-164.9	-152.3	156.1	0	112.5	S579	S579-K583 VanDerWaalsContact CB-CD 3.5Å; S579-K583 WeakPolarHBondContact O-CE 3.44Å; S579-K583 WeakPolarHBondContact OG-CD 3.33Å; S579-K583 WeakPolarHBondContact OG-CE 3.45Å; S579-K583 PolarHBondContact OG-NZ 2.88Å
584	K	93.2	Very high	85.2	Confident	10 Å²	10	53.2 Å²	53.2	4%	0.043	29%	0.286	C	S	.	.			trans	-100.8	143.3	177.1	-66.9	176.4	172	-167.1	0	110	V600 Y618 H620 S663 S664 M665 L668	K584-V600 HydrophobicContact CB-CG1 4.38Å; K584-Y618 HydrophobicContact CB-CD1 3.85Å; K584-Y618 HydrophobicContact CB-CG 4.23Å; K584-Y618 HydrophobicContact CD-CD1 3.91Å; K584-Y618 HydrophobicContact CD-CE1 4.32Å; K584-Y618 WeakPolarHBondContact O-CB 3.47Å; K584-Y618 PolarHBondContact O-N 3.12Å; K584-H620 HydrophobicContact CD-CB 4.06Å; K584-S663 WeakPolarHBondContact CE-O 3.48Å; K584-S663 PolarHBondContact NZ-O 3.32Å; K584-S664 PolarHBondContact NZ-O 3.37Å; K584-M665 HydrophobicContact CD-SD 4.24Å; K584-M665 WeakPolarHBondContact CE-SD 3.44Å; K584-M665 HydrophobicContact CG-CE 3.87Å; K584-M665 HydrophobicContact CG-SD 3.79Å; K584-L668 HydrophobicContact CD-CD2 3.89Å
585	W	94.9	Very high	84.2	Confident	8 Å²	8	47.4 Å²	47.4	3%	0.03	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	151.1	176.5	-57	91.5	0	0	0	109.6	F563 A575 W576 V600 I601 V615 Q616 K617	F563-W585 HydrophobicContact CD2-CZ3 4.22Å; F563-W585 AromaticContact CE2-CH2 3.9Å; F563-W585 HydrophobicContact CE2-CH2 3.9Å; F563-W585 AromaticContact CE2-CZ3 3.7Å; F563-W585 HydrophobicContact CE2-CZ3 3.7Å; A575-W585 HydrophobicContact CB-CH2 4.48Å; W576-W585 AromaticContact CD2-NE1 3.69Å; W576-W585 AromaticContact CE3-CD1 3.59Å; W576-W585 HydrophobicContact CE3-CD2 4.4Å; W576-W585 HydrophobicContact CE3-CG 4.15Å; W576-W585 AromaticContact CE3-NE1 3.47Å; W576-W585 HydrophobicContact CH2-CB 4.49Å; W576-W585 AromaticContact CH2-CD1 3.4Å; W576-W585 HydrophobicContact CH2-CG 4.13Å; W576-W585 AromaticContact CZ2-CD1 3.89Å; W576-W585 HydrophobicContact CZ3-CB 4.19Å; W576-W585 AromaticContact CZ3-CD1 3.23Å; W576-W585 HydrophobicContact CZ3-CD2 4.35Å; W576-W585 AromaticContact CZ3-CG 3.68Å; W576-W585 HydrophobicContact CZ3-CG 3.68Å; W576-W585 AromaticContact CZ3-NE1 3.66Å; W585-V600 CarbonylContact O-C 3.57Å; W585-V600 WeakPolarHBondContact O-CA 3.22Å; W585-V600 WeakPolarHBondContact O-CG1 3.16Å; W585-I601 HydrophobicContact CB-CG1 4.12Å; W585-I601 PolarHBondContact N-O 3.41Å; W585-I601 PolarHBondContact O-N 3.27Å; W585-V615 HydrophobicContact CB-CG1 4.05Å; W585-V615 HydrophobicContact CE3-CG1 4.28Å; W585-V615 HydrophobicContact CG-CG1 4.48Å; W585-Q616 CarbonylContact C-O 3.54Å; W585-Q616 WeakPolarHBondContact CA-O 3.41Å; W585-K617 HydrophobicContact CE3-CB 4.27Å; W585-K617 HydrophobicContact CZ3-CB 3.96Å
586	I	95.3	Very high	83.4	Confident	14 Å²	14	51.8 Å²	51.8	7%	0.072	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.9	174.7	-169	169.8	0	0	0	109.4	I598 Q599 V600 Q616 Y618 L675	I586-I598 HydrophobicContact CD1-CG2 3.62Å; I586-I598 HydrophobicContact CG1-CG2 3.71Å; I586-Q599 WeakPolarHBondContact CA-O 3.1Å; I586-V600 HydrophobicContact CB-CG2 4.47Å; I586-V600 HydrophobicContact CD1-CG2 4.14Å; I586-V600 HydrophobicContact CG1-CG2 4.11Å; I586-Q616 HydrophobicContact CG2-CB 3.84Å; I586-Q616 HydrophobicContact CG2-CG 4.19Å; I586-Q616 PolarHBondContact N-O 3.36Å; I586-Q616 PolarHBondContact O-N 3.06Å; I586-Y618 HydrophobicContact CB-CD2 4.03Å; I586-Y618 HydrophobicContact CD1-CD2 4.19Å; I586-Y618 HydrophobicContact CD1-CE2 4.4Å; I586-Y618 HydrophobicContact CG2-CD2 4.39Å; I586-L675 HydrophobicContact CD1-CD2 4.39Å
587	I	94.4	Very high	83.1	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.015	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132.1	170.8	-63.9	160.5	0	0	0	107.6	I598 Q599 I601 L607 P608 L613 L614 V615	I587-I598 WeakPolarHBondContact O-CA 3.39Å; I587-I598 WeakPolarHBondContact O-CG2 3.16Å; I587-Q599 PolarHBondContact N-O 3.08Å; I587-Q599 PolarHBondContact O-N 3.05Å; I587-I601 HydrophobicContact CD1-CD1 3.75Å; I587-I601 HydrophobicContact CD1-CG1 4.21Å; I587-I601 HydrophobicContact CD1-CG2 3.95Å; I587-I601 HydrophobicContact CG1-CD1 4.13Å; I587-I601 HydrophobicContact CG1-CG1 4.4Å; I587-L607 HydrophobicContact CD1-CD1 4.18Å; I587-L607 HydrophobicContact CG1-CD1 4.32Å; I587-P608 HydrophobicContact CD1-CG 4.32Å; I587-L613 HydrophobicContact CG2-CB 4.45Å; I587-L613 HydrophobicContact CG2-CD1 4.05Å; I587-L613 HydrophobicContact CG2-CD2 3.8Å; I587-L613 HydrophobicContact CG2-CG 4.33Å; I587-L614 WeakPolarHBondContact CA-O 3.4Å; I587-V615 HydrophobicContact CG1-CG2 4.38Å
588	K	92.7	Very high	83.1	Confident	11 Å²	11	47.9 Å²	47.9	5%	0.048	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.5	169.9	-66.2	172.2	167.9	175.7	0	108.2	K537 I598 L614 L772	K537-K588 HydrophobicContact CD-CB 4.25Å; K537-K588 HydrophobicContact CD-CD 4.38Å; K588-I598 HydrophobicContact CG-CD1 4.33Å; K588-I598 HydrophobicContact CG-CG1 4.41Å; K588-L614 HydrophobicContact CB-CB 4.45Å; K588-L614 HydrophobicContact CB-CD2 4.1Å; K588-L614 HydrophobicContact CD-CD2 4.05Å; K588-L614 PolarHBondContact N-O 2.83Å; K588-L614 WeakPolarHBondContact O-CA 3.46Å; K588-L614 WeakPolarHBondContact O-CB 3.3Å; K588-L614 PolarHBondContact O-N 3.16Å; K588-L772 PolarHBondContact NZ-O 3.17Å
589	P	88.8	Confident	83.3	Confident	30 Å²	30	47.5 Å²	47.5	20%	0.195	28%	0.275	C	S	.	.			trans	-70.8	146.8	164.6	-11.5	26.9	0	0	0	110	K537 A591	K537-P589 WeakPolarHBondContact CD-O 3.47Å; P589-A591 PolarHBondContact O-N 2.86Å
590	P	81.4	Confident	84.1	Confident	22 Å²	22	46.8 Å²	46.8	14%	0.143	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-40.8	-171.3	-27.7	36.3	0	0	0	115.7	K537 D538	K537-P590 WeakPolarHBondContact CB-O 3.45Å; K537-P590 PolarHBondContact N-O 3.49Å; D538-P590 HydrophobicContact CB-CB 4.23Å
591	A	81.4	Confident	85	Confident	49 Å²	49	45 Å²	45	41%	0.405	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	9.2	-176.4	0	0	0	0	0	114	P589	P589-A591 PolarHBondContact O-N 2.86Å
592	S	80.7	Confident	86.1	Confident	26 Å²	26	42 Å²	42	18%	0.182	23%	0.226	C	C	.	.			trans	-80.9	149.7	-179.8	-179.9	0	0	0	0	112.7	K537 M596	K537-S592 WeakPolarHBondContact CE-O 3.46Å; K537-S592 PolarHBondContact NZ-O 3.4Å; S592-M596 PolarHBondContact OG-O 3.1Å
593	A	76.3	Confident	86.9	Confident	23 Å²	23	38.8 Å²	38.8	19%	0.19	21%	0.211	C	C	.	.			trans	-125.9	-169.4	177.5	0	0	0	0	0	111.7	F396 G595 M596	F396-A593 HydrophobicContact CE1-CB 3.96Å; F396-A593 HydrophobicContact CZ-CB 3.72Å; A593-G595 PolarHBondContact O-N 3.49Å; A593-M596 PolarHBondContact O-N 2.85Å
594	R	75.4	Confident	87.1	Confident	87 Å²	87	38.1 Å²	38.1	33%	0.328	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	10.4	172.8	-56.9	173.5	171.7	-148.2	0.9	115.9	F396 D398 M596 S679	F396-R594 PolarHBondContact O-NH2 2.99Å; F396-R594 VanDerWaalsContact O-NH2 3.09Å; D398-R594 IonicContact OD1-CZ 3.99Å; D398-R594 VanDerWaalsContact OD1-CZ 3.22Å; D398-R594 IonicContact OD1-NH1 3.79Å; D398-R594 PolarHBondContact OD1-NH1 3.05Å; D398-R594 IonicContact OD1-NH2 3.68Å; D398-R594 PolarHBondContact OD1-NH2 3.02Å; D398-R594 IonicContact OD2-NH1 3.29Å; R594-M596 HydrophobicContact CB-CG 4.32Å; R594-S679 PolarHBondContact O-OG 3.24Å
595	G	72.4	Confident	87.1	Confident	8 Å²	8	42.6 Å²	42.6	8%	0.082	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.5	3.7	-173	0	0	0	0	0	115.1	A593 I598	A593-G595 PolarHBondContact O-N 3.49Å; G595-I598 PolarHBondContact O-N 3.19Å
596	M	76.5	Confident	86.9	Confident	99 Å²	99	45 Å²	45	49%	0.488	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	135.6	-173	-60.2	-164.6	-62	0	0	112.3	S592 A593 R594 I598	S592-M596 PolarHBondContact OG-O 3.1Å; A593-M596 PolarHBondContact O-N 2.85Å; R594-M596 HydrophobicContact CB-CG 4.32Å; M596-I598 PolarHBondContact O-N 3.22Å
597	G	83.1	Confident	86.6	Confident	51 Å²	51	45.3 Å²	45.3	53%	0.526	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	-1.5	-176.6	0	0	0	0	0	115.6
598	I	90.2	Very high	86.2	Confident	12 Å²	12	47.9 Å²	47.9	6%	0.062	27%	0.269	C	S	.	.			trans	-78.4	132.6	-178.3	-55.1	-172.9	0	0	0	111.1	I586 I587 K588 G595 M596 L675	I586-I598 HydrophobicContact CD1-CG2 3.62Å; I586-I598 HydrophobicContact CG1-CG2 3.71Å; I587-I598 WeakPolarHBondContact O-CA 3.39Å; I587-I598 WeakPolarHBondContact O-CG2 3.16Å; K588-I598 HydrophobicContact CG-CD1 4.33Å; K588-I598 HydrophobicContact CG-CG1 4.41Å; G595-I598 PolarHBondContact O-N 3.19Å; M596-I598 PolarHBondContact O-N 3.22Å; I598-L675 HydrophobicContact CB-CD1 4.33Å; I598-L675 HydrophobicContact CB-CD2 4.4Å; I598-L675 HydrophobicContact CG2-CD1 4.44Å; I598-L675 HydrophobicContact CG2-CD2 3.66Å
599	Q	91.8	Very high	85.4	Confident	103 Å²	103	58.2 Å²	58.2	48%	0.481	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	142.3	177.7	-61.2	-172.9	4.1	0	0	111.2	I586 I587	I586-Q599 WeakPolarHBondContact CA-O 3.1Å; I587-Q599 PolarHBondContact N-O 3.08Å; I587-Q599 PolarHBondContact O-N 3.05Å
600	V	93.9	Very high	84.6	Confident	9 Å²	9	68.9 Å²	68.9	6%	0.055	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	124.9	172.4	-171.4	0	0	0	0	109.3	K584 W585 I586 Y618 L668 H674	K584-V600 HydrophobicContact CB-CG1 4.38Å; W585-V600 CarbonylContact O-C 3.57Å; W585-V600 WeakPolarHBondContact O-CA 3.22Å; W585-V600 WeakPolarHBondContact O-CG1 3.16Å; I586-V600 HydrophobicContact CB-CG2 4.47Å; I586-V600 HydrophobicContact CD1-CG2 4.14Å; I586-V600 HydrophobicContact CG1-CG2 4.11Å; V600-Y618 HydrophobicContact CG1-CD1 4.05Å; V600-Y618 HydrophobicContact CG1-CD2 4.07Å; V600-Y618 HydrophobicContact CG1-CE1 4.4Å; V600-Y618 HydrophobicContact CG1-CE2 4.41Å; V600-Y618 HydrophobicContact CG1-CG 3.9Å; V600-Y618 HydrophobicContact CG2-CD2 4.04Å; V600-Y618 HydrophobicContact CG2-CE2 3.9Å; V600-L668 HydrophobicContact CB-CD2 4.1Å; V600-L668 HydrophobicContact CG1-CD1 4.49Å; V600-L668 HydrophobicContact CG1-CD2 3.61Å; V600-H674 HydrophobicContact CG2-CB 4.31Å
601	I	93.1	Very high	84.4	Confident	1 Å²	1	76.8 Å²	76.8	1%	0.005	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	160	-173	65.3	162.3	0	0	0	112.2	W576 W585 I587 Q606 L607	W576-I601 HydrophobicContact CH2-CD1 3.7Å; W576-I601 HydrophobicContact CH2-CG1 4.09Å; W576-I601 HydrophobicContact CZ3-CD1 4.05Å; W585-I601 HydrophobicContact CB-CG1 4.12Å; W585-I601 PolarHBondContact N-O 3.41Å; W585-I601 PolarHBondContact O-N 3.27Å; I587-I601 HydrophobicContact CD1-CD1 3.75Å; I587-I601 HydrophobicContact CD1-CG1 4.21Å; I587-I601 HydrophobicContact CD1-CG2 3.95Å; I587-I601 HydrophobicContact CG1-CD1 4.13Å; I587-I601 HydrophobicContact CG1-CG1 4.4Å; I601-Q606 HydrophobicContact CB-CB 3.86Å; I601-Q606 HydrophobicContact CD1-CB 4.41Å; I601-Q606 HydrophobicContact CG2-CB 3.57Å; I601-Q606 HydrophobicContact CG2-CG 4.42Å; I601-L607 HydrophobicContact CD1-CB 4.46Å; I601-L607 HydrophobicContact CD1-CD1 4.48Å
602	H	92.4	Very high	84.6	Confident	40 Å²	40	78.8 Å²	78.8	19%	0.185	38%	0.38	C	S	.	.			trans	-141.8	-5.7	177	70.1	-70.6	0	0	0	113.7	Q606 M665 L668	H602-Q606 PolarHBondContact ND1-OE1 3.32Å; H602-M665 HydrophobicContact CB-CE 3.72Å; H602-M665 HydrophobicContact CB-SD 3.56Å; H602-M665 VanDerWaalsContact CB-SD 3.56Å; H602-L668 HydrophobicContact CB-CD1 4.13Å; H602-L668 WeakPolarHBondContact ND1-CD1 3.11Å
603	K	91.4	Very high	85.1	Confident	117 Å²	117	78.2 Å²	78.2	51%	0.509	38%	0.375	S	S	.	.	S	Bend	trans	-118.9	139.2	173.2	-55.7	-178	-178.9	-177.2	0	110.3	S605 Q606	K603-S605 PolarHBondContact O-N 2.8Å; K603-Q606 HydrophobicContact CB-CG 4.2Å; K603-Q606 WeakPolarHBondContact O-CB 3.45Å; K603-Q606 PolarHBondContact O-N 3.18Å
604	W	90.8	Very high	85.9	Confident	77 Å²	77	77.2 Å²	77.2	29%	0.292	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-57.5	-31.5	177.9	-173.5	-86.5	0	0	0	112.7	I569 L572 R573 W576 Q606 L607	I569-W604 HydrophobicContact CG1-CH2 4.23Å; I569-W604 HydrophobicContact CG1-CZ2 4.28Å; L572-W604 HydrophobicContact CD2-CH2 4.36Å; L572-W604 HydrophobicContact CD2-CZ3 4.3Å; L572-W604 HydrophobicContact CG-CH2 4.35Å; L572-W604 HydrophobicContact CG-CZ3 4.05Å; R573-W604 HydrophobicContact CB-CH2 3.92Å; R573-W604 HydrophobicContact CB-CZ3 4.25Å; W576-W604 HydrophobicContact CB-CE3 4.32Å; W576-W604 HydrophobicContact CB-CZ3 4.26Å; W576-W604 AromaticContact CD2-CE3 3.81Å; W576-W604 HydrophobicContact CD2-CE3 3.81Å; W576-W604 HydrophobicContact CD2-CZ3 4.34Å; W576-W604 AromaticContact CE3-CE3 3.89Å; W576-W604 HydrophobicContact CE3-CE3 3.89Å; W576-W604 HydrophobicContact CE3-CZ3 4.16Å; W576-W604 HydrophobicContact CG-CE3 4Å; W576-W604 HydrophobicContact CG-CZ3 4.39Å; W604-Q606 PolarHBondContact O-N 2.83Å; W604-L607 HydrophobicContact CH2-CD2 4.39Å; W604-L607 HydrophobicContact CZ2-CD2 4.21Å; W604-L607 VanDerWaalsContact O-CB 3.29Å; W604-L607 WeakPolarHBondContact O-CB 3.43Å; W604-L607 PolarHBondContact O-N 3.36Å; W604-L607 VanDerWaalsContact O-N 3.1Å
605	S	91.4	Very high	86.8	Confident	105 Å²	105	73 Å²	73	73%	0.734	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-65.2	-13.8	175.6	52.6	0	0	0	0	114.9	K603	K603-S605 PolarHBondContact O-N 2.8Å
606	Q	90.9	Very high	87.9	Confident	58 Å²	58	72.9 Å²	72.9	27%	0.271	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-85.2	-7.5	174	-58.4	178	-76.8	0	0	112.8	I601 H602 K603 W604 P608	I601-Q606 HydrophobicContact CB-CB 3.86Å; I601-Q606 HydrophobicContact CD1-CB 4.41Å; I601-Q606 HydrophobicContact CG2-CB 3.57Å; I601-Q606 HydrophobicContact CG2-CG 4.42Å; H602-Q606 PolarHBondContact ND1-OE1 3.32Å; K603-Q606 HydrophobicContact CB-CG 4.2Å; K603-Q606 WeakPolarHBondContact O-CB 3.45Å; K603-Q606 PolarHBondContact O-N 3.18Å; W604-Q606 PolarHBondContact O-N 2.83Å; Q606-P608 WeakPolarHBondContact O-CD 3.36Å
607	L	89.4	Confident	88.8	Confident	21 Å²	21	72.5 Å²	72.5	11%	0.11	34%	0.343	C	S	.	.	S	Bend	trans	-75.5	118.5	179.9	-173.9	64.6	0	0	0	110.3	L565 L572 I587 I601 W604 R609 V615	L565-L607 HydrophobicContact CD1-CD1 3.88Å; L565-L607 HydrophobicContact CD1-CD2 3.95Å; L565-L607 HydrophobicContact CD1-CG 4.32Å; L572-L607 HydrophobicContact CD2-CD2 4.12Å; I587-L607 HydrophobicContact CD1-CD1 4.18Å; I587-L607 HydrophobicContact CG1-CD1 4.32Å; I601-L607 HydrophobicContact CD1-CB 4.46Å; I601-L607 HydrophobicContact CD1-CD1 4.48Å; W604-L607 HydrophobicContact CH2-CD2 4.39Å; W604-L607 HydrophobicContact CZ2-CD2 4.21Å; W604-L607 VanDerWaalsContact O-CB 3.29Å; W604-L607 WeakPolarHBondContact O-CB 3.43Å; W604-L607 PolarHBondContact O-N 3.36Å; W604-L607 VanDerWaalsContact O-N 3.1Å; L607-R609 PolarHBondContact O-N 3.26Å; L607-V615 HydrophobicContact CD1-CG2 3.75Å
608	P	85.6	Confident	89.4	Confident	56 Å²	56	70.4 Å²	70.4	36%	0.364	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-63.5	137.5	180	-20.4	31.9	0	0	0	111.7	I587 Q606 L613	I587-P608 HydrophobicContact CD1-CG 4.32Å; Q606-P608 WeakPolarHBondContact O-CD 3.36Å; P608-L613 HydrophobicContact CB-CD1 3.92Å; P608-L613 HydrophobicContact CG-CD1 3.89Å
609	R	77.4	Confident	89.7	Confident	229 Å²	229	70.9 Å²	70.9	86%	0.864	32%	0.322	S	S	*	.	S	Bend	trans	-86.6	152.7	176.2	-59.9	-178.1	-179	-173.6	-0.4	110.4	L607 R611	L607-R609 PolarHBondContact O-N 3.26Å; R609-R611 PolarHBondContact O-N 3.35Å
610	R	71.9	Confident	89.8	Confident	254 Å²	254	70.1 Å²	70.1	96%	0.958	32%	0.319	S	S	*	.	S	Bend	trans	60.4	36.2	169.8	-57.5	178.9	173.7	159.2	-4.5	116.3
611	R	76.8	Confident	89.9	Confident	187 Å²	187	74.1 Å²	74.1	71%	0.706	34%	0.335	S	S	*	.	S	Bend	trans	-139.9	143.6	168.3	-67.6	-172.6	176.9	173.2	-1.5	111.4	R609 L613	R609-R611 PolarHBondContact O-N 3.35Å; R611-L613 HydrophobicContact CB-CG 4.34Å; R611-L613 PolarHBondContact O-N 3.01Å
612	P	84.5	Confident	90.1	Very high	92 Å²	92	74.4 Å²	74.4	60%	0.597	34%	0.337	S	S	*	.			trans	-61.7	126.1	167.2	-21.1	33.5	0	0	0	110.4	L565	L565-P612 WeakPolarHBondContact O-CA 3.34Å
613	L	90.9	Very high	90.4	Very high	14 Å²	14	75 Å²	75	7%	0.073	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	147.2	-172.3	-73	177.5	0	0	0	111.1	L565 I587 P608 R611	L565-L613 HydrophobicContact CB-CB 4.44Å; L565-L613 WeakPolarHBondContact CB-O 3.49Å; L565-L613 PolarHBondContact N-O 2.71Å; L565-L613 PolarHBondContact O-N 2.99Å; I587-L613 HydrophobicContact CG2-CB 4.45Å; I587-L613 HydrophobicContact CG2-CD1 4.05Å; I587-L613 HydrophobicContact CG2-CD2 3.8Å; I587-L613 HydrophobicContact CG2-CG 4.33Å; P608-L613 HydrophobicContact CB-CD1 3.92Å; P608-L613 HydrophobicContact CG-CD1 3.89Å; R611-L613 HydrophobicContact CB-CG 4.34Å; R611-L613 PolarHBondContact O-N 3.01Å
614	L	93.4	Very high	90.7	Very high	1 Å²	1	72.5 Å²	72.5	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117.7	173.9	-175.3	141.1	0	0	0	109	K537 D538 T562 F563 I587 K588 Q616	K537-L614 HydrophobicContact CB-CD1 3.81Å; K537-L614 WeakPolarHBondContact O-CD1 3.2Å; D538-L614 HydrophobicContact CB-CD1 4.37Å; T562-L614 HydrophobicContact CG2-CD1 3.7Å; T562-L614 HydrophobicContact CG2-CD2 3.56Å; T562-L614 HydrophobicContact CG2-CG 3.41Å; T562-L614 VanDerWaalsContact CG2-CG 3.41Å; F563-L614 WeakPolarHBondContact O-CA 3.28Å; I587-L614 WeakPolarHBondContact CA-O 3.4Å; K588-L614 HydrophobicContact CB-CB 4.45Å; K588-L614 HydrophobicContact CB-CD2 4.1Å; K588-L614 HydrophobicContact CD-CD2 4.05Å; K588-L614 PolarHBondContact N-O 2.83Å; K588-L614 WeakPolarHBondContact O-CA 3.46Å; K588-L614 WeakPolarHBondContact O-CB 3.3Å; K588-L614 PolarHBondContact O-N 3.16Å; L614-Q616 HydrophobicContact CD2-CB 4.04Å
615	V	95.1	Very high	90.9	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	114.4	179.2	-176.1	0	0	0	0	109	T562 F563 L565 L572 W585 I587 L607	T562-V615 CarbonylContact C-O 3.55Å; T562-V615 WeakPolarHBondContact CA-O 3.38Å; F563-V615 PolarHBondContact N-O 2.99Å; F563-V615 PolarHBondContact O-N 2.83Å; L565-V615 HydrophobicContact CD1-CG2 3.62Å; L565-V615 HydrophobicContact CG-CG2 4.13Å; L572-V615 HydrophobicContact CD1-CB 4.2Å; L572-V615 HydrophobicContact CD1-CG1 3.7Å; L572-V615 HydrophobicContact CD2-CB 4.02Å; L572-V615 HydrophobicContact CD2-CG1 4.04Å; L572-V615 HydrophobicContact CD2-CG2 3.96Å; W585-V615 HydrophobicContact CB-CG1 4.05Å; W585-V615 HydrophobicContact CE3-CG1 4.28Å; W585-V615 HydrophobicContact CG-CG1 4.48Å; I587-V615 HydrophobicContact CG1-CG2 4.38Å; L607-V615 HydrophobicContact CD1-CG2 3.75Å
616	Q	96.1	Very high	91	Very high	4 Å²	4	67.8 Å²	67.8	2%	0.019	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	143.9	-172.2	175	169	83	0	0	110.8	F559 P560 T562 W585 I586 L614 Y618	F559-Q616 VanDerWaalsContact CE1-NE2 3.27Å; F559-Q616 VanDerWaalsContact CZ-NE2 3.26Å; P560-Q616 HydrophobicContact CB-CG 3.8Å; P560-Q616 HydrophobicContact CG-CG 4.45Å; T562-Q616 HydrophobicContact CG2-CB 4.45Å; T562-Q616 WeakPolarHBondContact OG1-CB 3.29Å; T562-Q616 VanDerWaalsContact OG1-CG 3.31Å; T562-Q616 WeakPolarHBondContact OG1-CG 3.34Å; T562-Q616 PolarHBondContact OG1-NE2 3.4Å; W585-Q616 CarbonylContact C-O 3.54Å; W585-Q616 WeakPolarHBondContact CA-O 3.41Å; I586-Q616 HydrophobicContact CG2-CB 3.84Å; I586-Q616 HydrophobicContact CG2-CG 4.19Å; I586-Q616 PolarHBondContact N-O 3.36Å; I586-Q616 PolarHBondContact O-N 3.06Å; L614-Q616 HydrophobicContact CD2-CB 4.04Å; Q616-Y618 PolarHBondContact O-N 3.34Å
617	K	94.9	Very high	91.2	Very high	91 Å²	91	66.4 Å²	66.4	40%	0.396	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	121.2	173.4	-179.2	-169.2	174.1	-167.1	0	109.1	K561 W585	K561-K617 PolarHBondContact O-N 3.21Å; W585-K617 HydrophobicContact CE3-CB 4.27Å; W585-K617 HydrophobicContact CZ3-CB 3.96Å
618	Y	95.9	Very high	91.6	Very high	7 Å²	7	66.5 Å²	66.5	3%	0.027	32%	0.32	C	S	.	.			trans	-74.9	132.4	-179.2	-177.4	-109.4	0	0	0	111.2	K584 I586 V600 Q616 H620 K629	K584-Y618 HydrophobicContact CB-CD1 3.85Å; K584-Y618 HydrophobicContact CB-CG 4.23Å; K584-Y618 HydrophobicContact CD-CD1 3.91Å; K584-Y618 HydrophobicContact CD-CE1 4.32Å; K584-Y618 WeakPolarHBondContact O-CB 3.47Å; K584-Y618 PolarHBondContact O-N 3.12Å; I586-Y618 HydrophobicContact CB-CD2 4.03Å; I586-Y618 HydrophobicContact CD1-CD2 4.19Å; I586-Y618 HydrophobicContact CD1-CE2 4.4Å; I586-Y618 HydrophobicContact CG2-CD2 4.39Å; V600-Y618 HydrophobicContact CG1-CD1 4.05Å; V600-Y618 HydrophobicContact CG1-CD2 4.07Å; V600-Y618 HydrophobicContact CG1-CE1 4.4Å; V600-Y618 HydrophobicContact CG1-CE2 4.41Å; V600-Y618 HydrophobicContact CG1-CG 3.9Å; V600-Y618 HydrophobicContact CG2-CD2 4.04Å; V600-Y618 HydrophobicContact CG2-CE2 3.9Å; Q616-Y618 PolarHBondContact O-N 3.34Å; Y618-H620 HydrophobicContact CD1-CB 3.91Å; Y618-H620 HydrophobicContact CE1-CB 4.3Å; Y618-H620 PolarHBondContact O-N 2.93Å; Y618-K629 PolarHBondContact OH-NZ 2.99Å
619	L	95.4	Very high	92.1	Very high	22 Å²	22	64.3 Å²	64.3	12%	0.115	31%	0.305	C	S	.	.			trans	-72.8	80.1	171.6	-61.7	-179.3	0	0	0	109.3	P560 K621 M762 W770 L772	P560-L619 HydrophobicContact CB-CD2 4.47Å; P560-L619 HydrophobicContact CG-CD1 4.26Å; P560-L619 HydrophobicContact CG-CD2 4.14Å; P560-L619 HydrophobicContact CG-CG 4.18Å; L619-K621 PolarHBondContact O-N 3.19Å; L619-M762 HydrophobicContact CB-SD 4.5Å; L619-M762 HydrophobicContact CD1-CB 4.26Å; L619-M762 HydrophobicContact CD1-CG 4.32Å; L619-M762 HydrophobicContact CD1-SD 4.2Å; L619-W770 HydrophobicContact CD1-CB 3.72Å; L619-W770 HydrophobicContact CD1-CG 3.88Å; L619-W770 HydrophobicContact CD2-CD2 4.12Å; L619-W770 HydrophobicContact CD2-CG 4.18Å; L619-L772 HydrophobicContact CD1-CD2 3.93Å
620	H	94.2	Very high	93.1	Very high	88 Å²	88	53.5 Å²	53.5	41%	0.407	26%	0.264	S	S	.	.			trans	-72.8	-6.2	-173.7	75.1	-64	0	0	0	115.2	K584 Y618 Y661	K584-H620 HydrophobicContact CD-CB 4.06Å; Y618-H620 HydrophobicContact CD1-CB 3.91Å; Y618-H620 HydrophobicContact CE1-CB 4.3Å; Y618-H620 PolarHBondContact O-N 2.93Å; H620-Y661 VanDerWaalsContact C-OH 3.24Å; H620-Y661 WeakPolarHBondContact CA-OH 3.32Å; H620-Y661 PolarHBondContact O-OH 2.98Å
621	K	96.3	Very high	94.3	Very high	92 Å²	92	41.5 Å²	41.5	40%	0.4	22%	0.219	S	C	.	.	S	Bend	trans	-135.4	73.4	177.1	-58.6	-163.2	-171.1	-179.4	0	110.6	L619 D764 E765	L619-K621 PolarHBondContact O-N 3.19Å; K621-D764 WeakPolarHBondContact O-CA 3.45Å; K621-E765 HydrophobicContact CB-CB 4.35Å; K621-E765 HydrophobicContact CB-CG 4.44Å; K621-E765 HydrophobicContact CD-CG 4.37Å; K621-E765 WeakPolarHBondContact CD-OE1 3.11Å; K621-E765 WeakPolarHBondContact CD-OE2 3.38Å; K621-E765 WeakPolarHBondContact CE-OE1 3.3Å; K621-E765 WeakPolarHBondContact CE-OE2 2.91Å; K621-E765 IonicContact NZ-OE1 2.91Å; K621-E765 PolarHBondContact NZ-OE1 3.4Å; K621-E765 IonicContact NZ-OE2 3.6Å; K621-E765 PolarHBondContact NZ-OE2 3.05Å; K621-E765 PolarHBondContact O-N 3.4Å
622	P	97.6	Very high	95.4	Very high	7 Å²	7	32.6 Å²	32.6	5%	0.045	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-69.8	161.8	171	33.6	-36.1	0	0	0	110.3	L624 K629 Y661 M762 L763	P622-L624 HydrophobicContact CG-CD2 3.87Å; P622-K629 HydrophobicContact CB-CG 4.12Å; P622-K629 HydrophobicContact CG-CB 4.3Å; P622-K629 HydrophobicContact CG-CD 4.16Å; P622-K629 HydrophobicContact CG-CG 3.89Å; P622-Y661 HydrophobicContact CG-CD1 4.35Å; P622-Y661 HydrophobicContact CG-CE1 4.2Å; P622-Y661 HydrophobicContact CG-CE2 4.4Å; P622-M762 HydrophobicContact CB-SD 4.41Å; P622-L763 WeakPolarHBondContact CA-O 3.26Å
623	Y	98	Very high	96	Very high	52 Å²	52	29 Å²	29	20%	0.204	16%	0.16	C	C	.	.			trans	-63.3	147	158.7	-164.8	-103.4	0	0	0	109.2	I625 F630 L710 I715 L763 L767	Y623-I625 HydrophobicContact CD1-CD1 4.48Å; Y623-I625 HydrophobicContact CD1-CG1 4.12Å; Y623-I625 HydrophobicContact CE1-CD1 4.29Å; Y623-I625 HydrophobicContact CE1-CG1 3.86Å; Y623-F630 AromaticContact CD1-CE1 3.8Å; Y623-F630 HydrophobicContact CD1-CE1 3.8Å; Y623-F630 AromaticContact CD1-CZ 3.84Å; Y623-F630 HydrophobicContact CD1-CZ 3.84Å; Y623-L710 HydrophobicContact CE1-CD2 3.72Å; Y623-I715 WeakPolarHBondContact OH-CD1 3.21Å; Y623-L763 PolarHBondContact N-O 3.2Å; Y623-L767 HydrophobicContact CD1-CD2 4.22Å; Y623-L767 HydrophobicContact CD2-CD2 3.6Å; Y623-L767 HydrophobicContact CD2-CG 4.16Å; Y623-L767 HydrophobicContact CE1-CD2 4.33Å; Y623-L767 HydrophobicContact CE2-CD2 3.72Å; Y623-L767 HydrophobicContact CE2-CG 4.24Å; Y623-L767 HydrophobicContact CG-CD2 3.87Å
624	L	97.6	Very high	96.4	Very high	66 Å²	66	28.3 Å²	28.3	35%	0.346	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	137.9	-174.3	-63.1	177.4	0	0	0	110.8	P622 N628 K629 Y661	P622-L624 HydrophobicContact CG-CD2 3.87Å; L624-N628 WeakPolarHBondContact CA-O 3.37Å; L624-N628 WeakPolarHBondContact CD2-O 3.39Å; L624-K629 HydrophobicContact CD2-CB 4.12Å; L624-Y661 HydrophobicContact CD1-CD1 4.05Å; L624-Y661 HydrophobicContact CD2-CD1 4.04Å; L624-Y661 HydrophobicContact CD2-CG 3.91Å
625	I	96.3	Very high	96.6	Very high	14 Å²	14	28.3 Å²	28.3	7%	0.072	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	126.6	176.1	-65.1	172	0	0	0	107.2	Y623 G627 N628 F630 F656 W701 L706 F709	Y623-I625 HydrophobicContact CD1-CD1 4.48Å; Y623-I625 HydrophobicContact CD1-CG1 4.12Å; Y623-I625 HydrophobicContact CE1-CD1 4.29Å; Y623-I625 HydrophobicContact CE1-CG1 3.86Å; I625-G627 PolarHBondContact O-N 3.05Å; I625-N628 PolarHBondContact N-O 3.28Å; I625-N628 VanDerWaalsContact N-O 3.15Å; I625-N628 PolarHBondContact O-N 3.45Å; I625-F630 HydrophobicContact CD1-CD1 4.19Å; I625-F630 HydrophobicContact CD1-CE1 3.65Å; I625-F630 HydrophobicContact CD1-CZ 3.94Å; I625-F630 HydrophobicContact CG1-CD1 4.36Å; I625-F630 HydrophobicContact CG1-CE1 3.82Å; I625-F656 HydrophobicContact CB-CE1 4.11Å; I625-F656 HydrophobicContact CG2-CE1 4.29Å; I625-W701 HydrophobicContact CD1-CZ3 4.5Å; I625-W701 HydrophobicContact CG2-CH2 3.64Å; I625-W701 HydrophobicContact CG2-CZ2 4.36Å; I625-W701 HydrophobicContact CG2-CZ3 4.31Å; I625-L706 HydrophobicContact CD1-CD1 3.47Å; I625-L706 VanDerWaalsContact CD1-CD1 3.47Å; I625-F709 HydrophobicContact CD1-CD1 4.05Å; I625-F709 HydrophobicContact CD1-CE1 3.85Å; I625-F709 HydrophobicContact CG1-CE1 3.91Å; I625-F709 HydrophobicContact CG2-CE1 3.94Å; I625-F709 HydrophobicContact CG2-CZ 3.9Å
626	G	93.1	Very high	96.8	Very high	68 Å²	68	28.3 Å²	28.3	70%	0.701	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	63	7.4	-169.7	0	0	0	0	0	115	N628 K660	G626-N628 VanDerWaalsContact C-N 3.33Å; G626-K660 WeakPolarHBondContact O-CE 3.48Å
627	G	95.4	Very high	96.9	Very high	29 Å²	29	28.1 Å²	28.1	30%	0.299	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	-3.2	-166.9	0	0	0	0	0	114.3	I625 Y661	I625-G627 PolarHBondContact O-N 3.05Å; G627-Y661 WeakPolarHBondContact O-CB 3.5Å; G627-Y661 PolarHBondContact O-N 3.5Å
628	N	96.3	Very high	97.1	Very high	24 Å²	24	23.8 Å²	23.8	13%	0.128	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	144.1	177.3	-70.4	2.1	0	0	0	110.9	L624 I625 G626 F656 A657 K660 H699	L624-N628 WeakPolarHBondContact CA-O 3.37Å; L624-N628 WeakPolarHBondContact CD2-O 3.39Å; I625-N628 PolarHBondContact N-O 3.28Å; I625-N628 VanDerWaalsContact N-O 3.15Å; I625-N628 PolarHBondContact O-N 3.45Å; G626-N628 VanDerWaalsContact C-N 3.33Å; N628-F656 HydrophobicContact CB-CD1 4.35Å; N628-A657 PolarHBondContact ND2-O 2.93Å; N628-K660 VanDerWaalsContact OD1-CA 3.27Å; N628-K660 WeakPolarHBondContact OD1-CA 3.39Å; N628-K660 VanDerWaalsContact OD1-CG 3.24Å; N628-K660 WeakPolarHBondContact OD1-CG 3.38Å; N628-K660 PolarHBondContact OD1-N 2.87Å; N628-H699 PolarHBondContact ND2-NE2 3.32Å
629	K	97.7	Very high	97.2	Very high	9 Å²	9	23.9 Å²	23.9	4%	0.039	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	144.7	172	174.7	-176.5	176.9	-173.9	0	109.2	Y618 P622 L624 A657 Y661 H674 T676 M762	Y618-K629 PolarHBondContact OH-NZ 2.99Å; P622-K629 HydrophobicContact CB-CG 4.12Å; P622-K629 HydrophobicContact CG-CB 4.3Å; P622-K629 HydrophobicContact CG-CD 4.16Å; P622-K629 HydrophobicContact CG-CG 3.89Å; L624-K629 HydrophobicContact CD2-CB 4.12Å; K629-A657 HydrophobicContact CB-CB 4.11Å; K629-A657 WeakPolarHBondContact O-CB 3.49Å; K629-A657 PolarHBondContact O-N 2.84Å; K629-Y661 HydrophobicContact CB-CD2 4.1Å; K629-Y661 HydrophobicContact CB-CG 4.44Å; K629-Y661 HydrophobicContact CD-CD2 4.16Å; K629-Y661 HydrophobicContact CD-CE2 4.26Å; K629-H674 PolarHBondContact NZ-O 2.65Å; K629-T676 HydrophobicContact CD-CG2 4.36Å; K629-T676 HydrophobicContact CG-CG2 3.99Å; K629-M762 HydrophobicContact CD-CE 4.49Å; K629-M762 WeakPolarHBondContact CE-SD 3.44Å; K629-M762 HydrophobicContact CG-CE 4.46Å
630	F	97.9	Very high	97.3	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.013	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	167.8	174.9	65.2	-82.9	0	0	0	112.8	Y623 I625 L632 V654 R655 F656 L706 M762 L763	Y623-F630 AromaticContact CD1-CE1 3.8Å; Y623-F630 HydrophobicContact CD1-CE1 3.8Å; Y623-F630 AromaticContact CD1-CZ 3.84Å; Y623-F630 HydrophobicContact CD1-CZ 3.84Å; I625-F630 HydrophobicContact CD1-CD1 4.19Å; I625-F630 HydrophobicContact CD1-CE1 3.65Å; I625-F630 HydrophobicContact CD1-CZ 3.94Å; I625-F630 HydrophobicContact CG1-CD1 4.36Å; I625-F630 HydrophobicContact CG1-CE1 3.82Å; F630-L632 HydrophobicContact CD2-CD2 4.07Å; F630-L632 HydrophobicContact CE2-CD2 3.95Å; F630-V654 HydrophobicContact CB-CG1 4.25Å; F630-V654 HydrophobicContact CD2-CG1 3.73Å; F630-V654 HydrophobicContact CE2-CG1 4.48Å; F630-V654 HydrophobicContact CG-CG1 4.22Å; F630-R655 CarbonylContact C-O 3.36Å; F630-R655 WeakPolarHBondContact CA-O 3.26Å; F630-R655 WeakPolarHBondContact CB-O 3.42Å; F630-F656 HydrophobicContact CB-CD1 3.71Å; F630-F656 HydrophobicContact CB-CE1 3.87Å; F630-F656 HydrophobicContact CB-CG 4.06Å; F630-F656 HydrophobicContact CB-CZ 4.36Å; F630-F656 HydrophobicContact CD1-CE1 4.16Å; F630-F656 HydrophobicContact CG-CD1 4.45Å; F630-F656 HydrophobicContact CG-CE1 4.16Å; F630-L706 HydrophobicContact CE2-CD2 4.08Å; F630-M762 WeakPolarHBondContact O-CE 3.33Å; F630-L763 HydrophobicContact CE2-CD1 4.5Å; F630-L763 HydrophobicContact CZ-CD1 4.4Å
631	D	97.9	Very high	97.3	Very high	2 Å²	2	19 Å²	19	1%	0.011	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	166.4	164.5	78.4	-123	0	0	0	111	V654 R655 T676 M762	D631-V654 WeakPolarHBondContact O-CA 3.46Å; D631-R655 PolarHBondContact N-O 2.98Å; D631-R655 PolarHBondContact O-N 3.31Å; D631-R655 IonicContact OD1-CZ 2.66Å; D631-R655 IonicContact OD1-NE 2.75Å; D631-R655 PolarHBondContact OD1-NE 2.78Å; D631-R655 IonicContact OD1-NH2 3.67Å; D631-R655 PolarHBondContact OD1-NH2 3.17Å; D631-R655 VanDerWaalsContact OD1-NH2 3.08Å; D631-R655 IonicContact OD2-CZ 2.65Å; D631-R655 IonicContact OD2-NE 2.69Å; D631-R655 PolarHBondContact OD2-NE 2.88Å; D631-R655 IonicContact OD2-NH2 2.66Å; D631-R655 PolarHBondContact OD2-NH2 2.88Å; D631-T676 WeakPolarHBondContact OD1-CB 3.29Å; D631-T676 PolarHBondContact OD1-OG1 3.27Å; D631-M762 HydrophobicContact CB-CE 3.87Å
632	L	98.4	Very high	97	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.5	175.4	-46.3	-179.7	0	0	0	108.9	F630 I634 V654 L703 L706 W707 I724 D760 I761	F630-L632 HydrophobicContact CD2-CD2 4.07Å; F630-L632 HydrophobicContact CE2-CD2 3.95Å; L632-I634 HydrophobicContact CB-CD1 3.87Å; L632-I634 HydrophobicContact CB-CG1 4.07Å; L632-I634 HydrophobicContact CD1-CD1 4.21Å; L632-V654 HydrophobicContact CD2-CG1 4.17Å; L632-V654 HydrophobicContact CD2-CG2 3.97Å; L632-L703 HydrophobicContact CB-CD1 4.45Å; L632-L703 HydrophobicContact CD1-CD1 4.35Å; L632-L703 HydrophobicContact CD2-CD1 3.86Å; L632-L703 HydrophobicContact CG-CD1 4.44Å; L632-L706 HydrophobicContact CD2-CD2 3.4Å; L632-L706 VanDerWaalsContact CD2-CD2 3.4Å; L632-W707 HydrophobicContact CD1-CH2 3.95Å; L632-I724 HydrophobicContact CD1-CD1 3.96Å; L632-D760 WeakPolarHBondContact O-CA 3.4Å; L632-I761 HydrophobicContact CB-CB 4.48Å; L632-I761 PolarHBondContact N-O 3.19Å; L632-I761 PolarHBondContact O-N 3.37Å
633	R	98.1	Very high	96.9	Very high	15 Å²	15	17.3 Å²	17.3	6%	0.057	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	110	159.8	166.5	54.6	57	78.1	0.4	108	Y635 G652 L653 F759 D760 N775	R633-Y635 HydrophobicContact CG-CE1 4.16Å; R633-Y635 HydrophobicContact CG-CE2 4.21Å; R633-G652 CarbonylContact O-C 3.17Å; R633-G652 VanDerWaalsContact O-CA 3.31Å; R633-G652 WeakPolarHBondContact O-CA 3.43Å; R633-L653 HydrophobicContact CB-CB 4.21Å; R633-L653 WeakPolarHBondContact CB-O 3.46Å; R633-L653 PolarHBondContact N-O 2.92Å; R633-L653 PolarHBondContact O-N 3.16Å; R633-F759 WeakPolarHBondContact CA-O 3.35Å; R633-D760 IonicContact CZ-OD1 3.46Å; R633-D760 IonicContact CZ-OD2 2.84Å; R633-D760 IonicContact NE-OD1 3.42Å; R633-D760 PolarHBondContact NE-OD1 3.41Å; R633-D760 VanDerWaalsContact NH2-CG 3.29Å; R633-D760 IonicContact NH2-OD1 3.44Å; R633-D760 PolarHBondContact NH2-OD1 2.86Å; R633-D760 IonicContact NH2-OD2 2.93Å; R633-D760 PolarHBondContact NH2-OD2 3.32Å; R633-N775 PolarHBondContact NH2-ND2 3.4Å
634	I	98.5	Very high	96.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	140.8	178.3	-63.1	153.3	0	0	0	108.4	L632 L648 L703 W721 I724 F759 I761	L632-I634 HydrophobicContact CB-CD1 3.87Å; L632-I634 HydrophobicContact CB-CG1 4.07Å; L632-I634 HydrophobicContact CD1-CD1 4.21Å; I634-L648 HydrophobicContact CG2-CD1 3.49Å; I634-L648 VanDerWaalsContact CG2-CD1 3.49Å; I634-L648 HydrophobicContact CG2-CG 4.44Å; I634-L703 HydrophobicContact CG1-CD2 4.02Å; I634-W721 HydrophobicContact CD1-CZ3 4.37Å; I634-W721 HydrophobicContact CG1-CZ3 4.47Å; I634-W721 HydrophobicContact CG2-CH2 4.25Å; I634-W721 HydrophobicContact CG2-CZ3 4.46Å; I634-I724 HydrophobicContact CD1-CD1 4.15Å; I634-I724 HydrophobicContact CD1-CG2 3.83Å; I634-F759 HydrophobicContact CB-CB 4.48Å; I634-F759 PolarHBondContact N-O 3.46Å; I634-F759 PolarHBondContact O-N 3.37Å; I634-I761 HydrophobicContact CD1-CB 4.21Å; I634-I761 HydrophobicContact CD1-CD1 3.92Å; I634-I761 HydrophobicContact CD1-CG1 4.28Å
635	Y	98.7	Very high	97	Very high	1 Å²	1	12.4 Å²	12.4	0%	0.004	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	120.7	-176.5	-63.2	-76.8	0	0	0	110.5	R633 F649 L756 P778 I790 K791 M794	R633-Y635 HydrophobicContact CG-CE1 4.16Å; R633-Y635 HydrophobicContact CG-CE2 4.21Å; Y635-F649 PolarHBondContact O-N 2.7Å; Y635-L756 HydrophobicContact CD1-CD1 4.47Å; Y635-P778 HydrophobicContact CE1-CB 4.26Å; Y635-I790 HydrophobicContact CE2-CG2 4.37Å; Y635-K791 WeakPolarHBondContact OH-CE 3.42Å; Y635-M794 WeakPolarHBondContact CB-SD 3.45Å; Y635-M794 HydrophobicContact CD1-CE 4.1Å; Y635-M794 HydrophobicContact CD1-SD 3.48Å; Y635-M794 WeakPolarHBondContact CD1-SD 3.42Å; Y635-M794 HydrophobicContact CD2-SD 3.66Å; Y635-M794 HydrophobicContact CE1-CE 4.13Å; Y635-M794 HydrophobicContact CE1-SD 4.03Å; Y635-M794 HydrophobicContact CE2-SD 4.2Å; Y635-M794 HydrophobicContact CG-CE 4.4Å; Y635-M794 HydrophobicContact CG-SD 3.26Å
636	V	98.8	Very high	97.1	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.5	-178.5	179.8	0	0	0	0	108	I646 Y647 L648 V728 F757 F759	V636-I646 HydrophobicContact CG1-CG2 3.74Å; V636-Y647 CarbonylContact C-O 3.6Å; V636-Y647 WeakPolarHBondContact CA-O 3.34Å; V636-L648 HydrophobicContact CG2-CD1 3.73Å; V636-V728 HydrophobicContact CB-CG1 4.29Å; V636-V728 HydrophobicContact CG1-CG1 3.61Å; V636-V728 HydrophobicContact CG2-CB 4.49Å; V636-V728 HydrophobicContact CG2-CG1 3.64Å; V636-V728 HydrophobicContact CG2-CG2 3.92Å; V636-F757 HydrophobicContact CB-CB 4.35Å; V636-F757 PolarHBondContact N-O 3.04Å; V636-F757 PolarHBondContact O-N 2.88Å; V636-F759 HydrophobicContact CB-CD2 3.79Å; V636-F759 HydrophobicContact CB-CE2 3.81Å; V636-F759 HydrophobicContact CG1-CE2 4.12Å; V636-F759 HydrophobicContact CG2-CB 4.39Å; V636-F759 HydrophobicContact CG2-CD2 3.39Å; V636-F759 HydrophobicContact CG2-CE2 3.72Å; V636-F759 HydrophobicContact CG2-CG 3.89Å; V636-F759 HydrophobicContact CG2-CZ 4.46Å
637	Y	98.8	Very high	97.4	Very high	1 Å²	1	8.5 Å²	8.5	0%	0.004	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	132.4	179.9	-179.4	-131.4	0	0	0	110.1	T639 Y647 H754 E755 L798 L801 A802 F888	Y637-T639 HydrophobicContact CD1-CG2 3.99Å; Y637-T639 HydrophobicContact CE1-CG2 3.46Å; Y637-T639 VanDerWaalsContact CE1-CG2 3.46Å; Y637-Y647 PolarHBondContact N-O 3.03Å; Y637-Y647 PolarHBondContact O-N 2.81Å; Y637-H754 HydrophobicContact CE2-CB 3.96Å; Y637-H754 AromaticContact CE2-ND1 3.62Å; Y637-H754 AromaticContact CZ-ND1 3.66Å; Y637-H754 WeakPolarHBondContact OH-CB 3.39Å; Y637-H754 PolarHBondContact OH-ND1 3.41Å; Y637-E755 WeakPolarHBondContact CA-O 3.15Å; Y637-E755 VanDerWaalsContact CD2-O 3.29Å; Y637-E755 WeakPolarHBondContact CD2-O 3.44Å; Y637-L798 HydrophobicContact CD1-CD1 4.44Å; Y637-L798 HydrophobicContact CD1-CG 4.24Å; Y637-L798 HydrophobicContact CD2-CD1 3.49Å; Y637-L798 VanDerWaalsContact CD2-CD1 3.49Å; Y637-L798 HydrophobicContact CD2-CG 3.91Å; Y637-L798 HydrophobicContact CE1-CG 3.99Å; Y637-L798 HydrophobicContact CE2-CD1 3.71Å; Y637-L798 HydrophobicContact CE2-CD2 4.24Å; Y637-L798 HydrophobicContact CE2-CG 3.7Å; Y637-L798 HydrophobicContact CG-CD1 3.92Å; Y637-L798 HydrophobicContact CG-CG 4.2Å; Y637-L801 HydrophobicContact CD1-CD1 4.23Å; Y637-L801 HydrophobicContact CD1-CD2 4.18Å; Y637-L801 HydrophobicContact CE1-CB 4.08Å; Y637-L801 HydrophobicContact CE1-CD1 4.45Å; Y637-L801 HydrophobicContact CE1-CD2 3.86Å; Y637-L801 HydrophobicContact CE1-CG 4.34Å; Y637-A802 WeakPolarHBondContact OH-CA 3.43Å; Y637-A802 VanDerWaalsContact OH-CB 3.24Å; Y637-A802 WeakPolarHBondContact OH-CB 3.41Å; Y637-F888 HydrophobicContact CG-CE1 4.48Å
638	V	98.6	Very high	97.5	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122	177.9	177.4	0	0	0	0	108.7	F528 S640 Y641 L644 R645 I646 I732 H754 E755 F757	F528-V638 HydrophobicContact CE2-CB 3.95Å; F528-V638 HydrophobicContact CE2-CG1 3.82Å; F528-V638 WeakPolarHBondContact CE2-O 3.44Å; F528-V638 HydrophobicContact CZ-CB 4.49Å; F528-V638 HydrophobicContact CZ-CG1 4.01Å; F528-V638 WeakPolarHBondContact CZ-O 3.42Å; V638-S640 WeakPolarHBondContact CG1-O 3.18Å; V638-Y641 HydrophobicContact CG1-CD2 4Å; V638-Y641 HydrophobicContact CG1-CE2 3.81Å; V638-L644 HydrophobicContact CG1-CD1 4.3Å; V638-R645 WeakPolarHBondContact CA-O 3.47Å; V638-I646 HydrophobicContact CG2-CG1 4.41Å; V638-I646 HydrophobicContact CG2-CG2 4.36Å; V638-I732 HydrophobicContact CG2-CD1 4.07Å; V638-H754 WeakPolarHBondContact O-CA 3.24Å; V638-E755 PolarHBondContact N-O 3.16Å; V638-E755 PolarHBondContact O-N 2.83Å; V638-F757 HydrophobicContact CB-CE2 4.09Å; V638-F757 HydrophobicContact CG2-CD2 4.18Å; V638-F757 HydrophobicContact CG2-CE2 3.82Å
639	T	97.6	Very high	97.6	Very high	8 Å²	8	6 Å²	6	5%	0.049	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-24	-177	58	0	0	0	0	113.7	Y637 R645 Y647 L801 E881	Y637-T639 HydrophobicContact CD1-CG2 3.99Å; Y637-T639 HydrophobicContact CE1-CG2 3.46Å; Y637-T639 VanDerWaalsContact CE1-CG2 3.46Å; T639-R645 PolarHBondContact N-O 2.83Å; T639-R645 WeakPolarHBondContact OG1-CB 3.32Å; T639-R645 PolarHBondContact OG1-NH2 3.09Å; T639-R645 VanDerWaalsContact OG1-NH2 3.07Å; T639-Y647 HydrophobicContact CG2-CD2 4.16Å; T639-Y647 HydrophobicContact CG2-CE2 4.06Å; T639-L801 HydrophobicContact CG2-CD2 3.41Å; T639-L801 VanDerWaalsContact CG2-CD2 3.41Å; T639-E881 WeakPolarHBondContact CB-OE1 3.43Å; T639-E881 VanDerWaalsContact CG2-OE1 3.3Å; T639-E881 WeakPolarHBondContact CG2-OE1 3.26Å; T639-E881 PolarHBondContact OG1-OE1 2.88Å
640	S	96.8	Very high	97.5	Very high	6 Å²	6	7.5 Å²	7.5	4%	0.042	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	155.8	170	-173.3	0	0	0	0	110	V638 E642 P643 L644 R645	V638-S640 WeakPolarHBondContact CG1-O 3.18Å; S640-E642 VanDerWaalsContact OG-C 3.3Å; S640-E642 PolarHBondContact OG-N 3.23Å; S640-E642 PolarHBondContact OG-O 3.07Å; S640-P643 CarbonylContact C-O 3.57Å; S640-P643 WeakPolarHBondContact CB-O 3.46Å; S640-L644 WeakPolarHBondContact O-CA 3.49Å; S640-R645 PolarHBondContact O-N 3.01Å
641	Y	95.6	Very high	97.5	Very high	1 Å²	1	8 Å²	8	0%	0.004	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-6.1	165.6	-83.2	-90.3	0	0	0	112.5	F528 V638 L644 I732 E736 V739 L743	F528-Y641 AromaticContact CD1-CD2 4Å; F528-Y641 HydrophobicContact CD1-CD2 4Å; F528-Y641 HydrophobicContact CD1-CE2 4.36Å; F528-Y641 HydrophobicContact CD2-CD2 4.01Å; F528-Y641 AromaticContact CD2-CE2 3.58Å; F528-Y641 HydrophobicContact CD2-CE2 3.58Å; F528-Y641 AromaticContact CE1-CD2 3.97Å; F528-Y641 HydrophobicContact CE1-CD2 3.97Å; F528-Y641 AromaticContact CE2-CD2 3.97Å; F528-Y641 HydrophobicContact CE2-CD2 3.97Å; F528-Y641 AromaticContact CE2-CE2 3.75Å; F528-Y641 HydrophobicContact CE2-CE2 3.75Å; F528-Y641 HydrophobicContact CG-CD2 4.02Å; F528-Y641 AromaticContact CG-CE2 3.92Å; F528-Y641 HydrophobicContact CG-CE2 3.92Å; F528-Y641 AromaticContact CZ-CD2 3.95Å; F528-Y641 HydrophobicContact CZ-CD2 3.95Å; F528-Y641 HydrophobicContact CZ-CE2 4.21Å; V638-Y641 HydrophobicContact CG1-CD2 4Å; V638-Y641 HydrophobicContact CG1-CE2 3.81Å; Y641-L644 HydrophobicContact CD1-CD1 3.69Å; Y641-L644 HydrophobicContact CE1-CD1 4.05Å; Y641-L644 HydrophobicContact CG-CD1 4.17Å; Y641-L644 PolarHBondContact O-N 3.07Å; Y641-I732 HydrophobicContact CE1-CG2 3.78Å; Y641-E736 HydrophobicContact CD1-CB 4.19Å; Y641-E736 HydrophobicContact CD1-CG 3.9Å; Y641-E736 HydrophobicContact CE1-CB 4.34Å; Y641-V739 HydrophobicContact CD1-CB 4.42Å; Y641-V739 HydrophobicContact CD1-CG1 4.33Å; Y641-V739 HydrophobicContact CD2-CG1 3.61Å; Y641-V739 HydrophobicContact CE1-CB 4.28Å; Y641-V739 HydrophobicContact CE1-CG1 4.31Å; Y641-V739 HydrophobicContact CE2-CB 4.4Å; Y641-V739 HydrophobicContact CE2-CG1 3.6Å; Y641-V739 HydrophobicContact CG-CG1 3.99Å; Y641-L743 HydrophobicContact CD2-CD1 4.26Å; Y641-L743 HydrophobicContact CG-CD1 4.38Å
642	E	90.4	Very high	97.4	Very high	54 Å²	54	7.9 Å²	7.9	25%	0.252	4%	0.043	S	C	.	.	T	Hydrogen-bonded Turn	trans	-145.9	103.9	176.6	-169	158.2	-111.7	0	0	110.6	S640 K744	S640-E642 VanDerWaalsContact OG-C 3.3Å; S640-E642 PolarHBondContact OG-N 3.23Å; S640-E642 PolarHBondContact OG-O 3.07Å; E642-K744 VanDerWaalsContact CD-CE 3.45Å; E642-K744 VanDerWaalsContact OE1-CE 3.29Å; E642-K744 WeakPolarHBondContact OE1-CE 3.27Å; E642-K744 IonicContact OE1-NZ 2.99Å; E642-K744 PolarHBondContact OE1-NZ 3.1Å; E642-K744 WeakPolarHBondContact OE2-CE 3.3Å; E642-K744 IonicContact OE2-NZ 3.98Å; E642-K744 PolarHBondContact OE2-NZ 3.44Å
643	P	95.4	Very high	97.3	Very high	11 Å²	11	8.3 Å²	8.3	7%	0.071	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	cis	-59.1	151.8	-18.4	28.2	-33.2	0	0	0	111.4	S640 R645 V874 L910 N911 L914	S640-P643 CarbonylContact C-O 3.57Å; S640-P643 WeakPolarHBondContact CB-O 3.46Å; P643-R645 PolarHBondContact O-N 2.85Å; P643-V874 HydrophobicContact CG-CG1 3.91Å; P643-L910 HydrophobicContact CB-CB 3.8Å; P643-L910 HydrophobicContact CG-CB 4.25Å; P643-N911 WeakPolarHBondContact CA-OD1 3.38Å; P643-N911 WeakPolarHBondContact CB-OD1 3.5Å; P643-L914 HydrophobicContact CB-CD1 3.77Å; P643-L914 HydrophobicContact CB-CG 4.31Å; P643-L914 HydrophobicContact CG-CD1 3.55Å; P643-L914 HydrophobicContact CG-CG 4.25Å
644	L	97.9	Very high	97.2	Very high	1 Å²	1	7.6 Å²	7.6	1%	0.005	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	124.4	176.4	178.5	62.8	0	0	0	109.7	V638 S640 Y641 I646 I732 I733 F892 F904 N911	V638-L644 HydrophobicContact CG1-CD1 4.3Å; S640-L644 WeakPolarHBondContact O-CA 3.49Å; Y641-L644 HydrophobicContact CD1-CD1 3.69Å; Y641-L644 HydrophobicContact CE1-CD1 4.05Å; Y641-L644 HydrophobicContact CG-CD1 4.17Å; Y641-L644 PolarHBondContact O-N 3.07Å; L644-I646 HydrophobicContact CD1-CD1 4.39Å; L644-I646 HydrophobicContact CD1-CG1 4.01Å; L644-I646 HydrophobicContact CD2-CD1 4.06Å; L644-I646 HydrophobicContact CD2-CG1 4.44Å; L644-I646 HydrophobicContact CG-CD1 4.22Å; L644-I646 HydrophobicContact CG-CG1 4.04Å; L644-I732 HydrophobicContact CD1-CG2 3.84Å; L644-I732 HydrophobicContact CD2-CG2 4.3Å; L644-I733 HydrophobicContact CD2-CG1 3.83Å; L644-F892 HydrophobicContact CB-CD1 4.25Å; L644-F892 HydrophobicContact CB-CE1 3.9Å; L644-F892 HydrophobicContact CD2-CD1 4.2Å; L644-F892 HydrophobicContact CD2-CE1 4.13Å; L644-F892 HydrophobicContact CG-CD1 3.99Å; L644-F892 HydrophobicContact CG-CE1 4.07Å; L644-F892 VanDerWaalsContact O-CD1 3.24Å; L644-F892 WeakPolarHBondContact O-CD1 3.33Å; L644-F892 VanDerWaalsContact O-CE1 3.3Å; L644-F892 WeakPolarHBondContact O-CE1 3.43Å; L644-F904 HydrophobicContact CB-CZ 4.42Å; L644-F904 HydrophobicContact CD2-CE1 4.05Å; L644-F904 HydrophobicContact CD2-CZ 3.67Å; L644-N911 PolarHBondContact N-OD1 3.33Å
645	R	98.3	Very high	97.1	Very high	13 Å²	13	8.9 Å²	8.9	5%	0.049	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	117.6	177.8	-66.5	178.9	-60.7	156.2	23	110.2	V638 T639 S640 P643 Y647 E881 F892 L914	V638-R645 WeakPolarHBondContact CA-O 3.47Å; T639-R645 PolarHBondContact N-O 2.83Å; T639-R645 WeakPolarHBondContact OG1-CB 3.32Å; T639-R645 PolarHBondContact OG1-NH2 3.09Å; T639-R645 VanDerWaalsContact OG1-NH2 3.07Å; S640-R645 PolarHBondContact O-N 3.01Å; P643-R645 PolarHBondContact O-N 2.85Å; R645-Y647 HydrophobicContact CB-CE2 4.15Å; R645-E881 IonicContact CZ-OE1 2.72Å; R645-E881 IonicContact CZ-OE2 3.33Å; R645-E881 IonicContact NE-OE1 3.08Å; R645-E881 IonicContact NH1-OE1 3.63Å; R645-E881 PolarHBondContact NH1-OE1 3Å; R645-E881 VanDerWaalsContact NH1-OE1 3.14Å; R645-E881 IonicContact NH1-OE2 3.34Å; R645-E881 PolarHBondContact NH1-OE2 3.49Å; R645-E881 VanDerWaalsContact NH2-CD 3.27Å; R645-E881 IonicContact NH2-OE1 3.46Å; R645-E881 PolarHBondContact NH2-OE1 2.87Å; R645-E881 VanDerWaalsContact NH2-OE1 3.08Å; R645-E881 IonicContact NH2-OE2 2.61Å; R645-E881 PolarHBondContact NH2-OE2 2.99Å; R645-F892 CarbonylContact C-O 3.59Å; R645-F892 WeakPolarHBondContact CA-O 3.21Å; R645-L914 HydrophobicContact CG-CD1 4.19Å
646	I	98.8	Very high	96.9	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.1	-172.8	-48.3	173.8	0	0	0	109.3	V636 V638 L644 V728 I729 I732 I891 F892	V636-I646 HydrophobicContact CG1-CG2 3.74Å; V638-I646 HydrophobicContact CG2-CG1 4.41Å; V638-I646 HydrophobicContact CG2-CG2 4.36Å; L644-I646 HydrophobicContact CD1-CD1 4.39Å; L644-I646 HydrophobicContact CD1-CG1 4.01Å; L644-I646 HydrophobicContact CD2-CD1 4.06Å; L644-I646 HydrophobicContact CD2-CG1 4.44Å; L644-I646 HydrophobicContact CG-CD1 4.22Å; L644-I646 HydrophobicContact CG-CG1 4.04Å; I646-V728 HydrophobicContact CG2-CG1 4.14Å; I646-I729 HydrophobicContact CD1-CB 4.47Å; I646-I729 HydrophobicContact CD1-CG1 4.33Å; I646-I729 HydrophobicContact CD1-CG2 4.37Å; I646-I732 HydrophobicContact CD1-CB 3.73Å; I646-I732 HydrophobicContact CD1-CG1 4.06Å; I646-I732 HydrophobicContact CD1-CG2 3.72Å; I646-I732 HydrophobicContact CG1-CG2 4.18Å; I646-I891 HydrophobicContact CB-CG1 4.11Å; I646-I891 HydrophobicContact CG2-CD1 3.97Å; I646-I891 HydrophobicContact CG2-CG1 3.89Å; I646-I891 PolarHBondContact O-N 3.22Å; I646-F892 HydrophobicContact CB-CB 4.12Å; I646-F892 HydrophobicContact CD1-CB 3.99Å; I646-F892 HydrophobicContact CD1-CG 4.44Å; I646-F892 HydrophobicContact CG1-CB 4.12Å; I646-F892 PolarHBondContact N-O 2.69Å; I646-F892 PolarHBondContact O-N 2.68Å
647	Y	98.8	Very high	96.8	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	143.4	179.4	-69.4	-97.7	0	0	0	110.5	V636 Y637 T639 R645 L801 E881 L882 R885 F888 E889 R890	V636-Y647 CarbonylContact C-O 3.6Å; V636-Y647 WeakPolarHBondContact CA-O 3.34Å; Y637-Y647 PolarHBondContact N-O 3.03Å; Y637-Y647 PolarHBondContact O-N 2.81Å; T639-Y647 HydrophobicContact CG2-CD2 4.16Å; T639-Y647 HydrophobicContact CG2-CE2 4.06Å; R645-Y647 HydrophobicContact CB-CE2 4.15Å; Y647-L801 HydrophobicContact CD1-CD1 3.74Å; Y647-L801 HydrophobicContact CD1-CD2 4.31Å; Y647-L801 HydrophobicContact CD2-CD2 4.08Å; Y647-L801 HydrophobicContact CE1-CD1 3.98Å; Y647-L801 HydrophobicContact CE1-CD2 4.02Å; Y647-L801 HydrophobicContact CE1-CG 4.41Å; Y647-L801 HydrophobicContact CE2-CD2 3.83Å; Y647-L801 HydrophobicContact CG-CD1 4.09Å; Y647-L801 HydrophobicContact CG-CD2 4.32Å; Y647-E881 WeakPolarHBondContact CE2-OE1 3.48Å; Y647-E881 PolarHBondContact OH-OE1 3.18Å; Y647-L882 HydrophobicContact CE1-CD1 4.38Å; Y647-R885 HydrophobicContact CD1-CB 4.49Å; Y647-R885 HydrophobicContact CE1-CB 4.15Å; Y647-F888 HydrophobicContact CD1-CB 4.03Å; Y647-E889 CarbonylContact C-O 3.39Å; Y647-E889 VanDerWaalsContact CA-O 3.27Å; Y647-E889 WeakPolarHBondContact CA-O 3.42Å; Y647-R890 HydrophobicContact CD1-CB 3.8Å; Y647-R890 HydrophobicContact CD1-CG 4.14Å; Y647-R890 HydrophobicContact CD2-CG 4.45Å; Y647-R890 HydrophobicContact CE1-CB 3.54Å; Y647-R890 HydrophobicContact CE1-CG 3.78Å; Y647-R890 HydrophobicContact CE2-CG 4.07Å; Y647-R890 HydrophobicContact CG-CG 4.47Å; Y647-R890 WeakPolarHBondContact OH-CD 3.43Å
648	L	98.5	Very high	96.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.2	-179.7	-167.9	64.5	0	0	0	108.4	I634 V636 W721 K725 V728 F888 E889 I891	I634-L648 HydrophobicContact CG2-CD1 3.49Å; I634-L648 VanDerWaalsContact CG2-CD1 3.49Å; I634-L648 HydrophobicContact CG2-CG 4.44Å; V636-L648 HydrophobicContact CG2-CD1 3.73Å; L648-W721 HydrophobicContact CD2-CH2 3.69Å; L648-W721 HydrophobicContact CD2-CZ2 3.37Å; L648-W721 HydrophobicContact CD2-CZ3 4.39Å; L648-W721 HydrophobicContact CG-CH2 3.99Å; L648-W721 HydrophobicContact CG-CZ2 3.85Å; L648-K725 HydrophobicContact CD2-CG 3.79Å; L648-V728 HydrophobicContact CD1-CG2 4.44Å; L648-F888 CarbonylContact O-C 3.59Å; L648-F888 WeakPolarHBondContact O-CA 3.42Å; L648-E889 PolarHBondContact N-O 2.96Å; L648-E889 PolarHBondContact O-N 3.2Å; L648-I891 HydrophobicContact CB-CD1 4.26Å; L648-I891 HydrophobicContact CB-CG2 3.73Å; L648-I891 HydrophobicContact CD2-CD1 4.48Å; L648-I891 HydrophobicContact CD2-CG2 4.09Å
649	F	98.6	Very high	96.4	Very high	1 Å²	1	10.2 Å²	10.2	0%	0.004	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	140.8	176.4	-165	-115.8	0	0	0	109.9	Y635 D651 I790 Q793 M794 E887 F888	Y635-F649 PolarHBondContact O-N 2.7Å; F649-D651 HydrophobicContact CD1-CB 4.08Å; F649-D651 WeakPolarHBondContact CD1-O 3.45Å; F649-D651 HydrophobicContact CE1-CB 3.87Å; F649-D651 PolarHBondContact O-N 3.16Å; F649-D651 VanDerWaalsContact O-N 3.16Å; F649-I790 HydrophobicContact CE1-CG2 4.18Å; F649-Q793 HydrophobicContact CE2-CG 4.45Å; F649-Q793 HydrophobicContact CZ-CB 4.19Å; F649-Q793 HydrophobicContact CZ-CG 3.92Å; F649-M794 HydrophobicContact CD1-CB 4.07Å; F649-M794 HydrophobicContact CD1-CG 4.21Å; F649-M794 HydrophobicContact CD2-CB 4.05Å; F649-M794 HydrophobicContact CD2-CG 3.99Å; F649-M794 HydrophobicContact CE1-CB 3.84Å; F649-M794 HydrophobicContact CE1-CG 4.48Å; F649-M794 VanDerWaalsContact CE2-CA 3.48Å; F649-M794 HydrophobicContact CE2-CB 3.79Å; F649-M794 HydrophobicContact CE2-CG 4.25Å; F649-M794 HydrophobicContact CG-CB 4.2Å; F649-M794 HydrophobicContact CG-CG 3.99Å; F649-M794 HydrophobicContact CZ-CB 3.7Å; F649-M794 HydrophobicContact CZ-CG 4.5Å; F649-E887 HydrophobicContact CD2-CB 4.24Å; F649-E887 HydrophobicContact CE2-CB 3.56Å; F649-E887 HydrophobicContact CZ-CB 4.02Å; F649-F888 HydrophobicContact CB-CD1 4.02Å; F649-F888 HydrophobicContact CB-CE1 3.71Å; F649-F888 HydrophobicContact CB-CZ 4.18Å; F649-F888 HydrophobicContact CD2-CD1 4.18Å; F649-F888 AromaticContact CD2-CD2 3.88Å; F649-F888 HydrophobicContact CD2-CD2 3.88Å; F649-F888 HydrophobicContact CD2-CE1 4.01Å; F649-F888 AromaticContact CD2-CE2 3.69Å; F649-F888 HydrophobicContact CD2-CE2 3.69Å; F649-F888 HydrophobicContact CD2-CG 4.12Å; F649-F888 AromaticContact CD2-CZ 3.76Å; F649-F888 HydrophobicContact CD2-CZ 3.76Å; F649-F888 HydrophobicContact CE2-CD2 4.46Å; F649-F888 HydrophobicContact CE2-CE2 4.25Å; F649-F888 HydrophobicContact CG-CE1 4.3Å; F649-F888 HydrophobicContact CG-CZ 4.32Å
650	S	96.3	Very high	96.3	Very high	41 Å²	41	17 Å²	17	29%	0.287	8%	0.084	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	-16.1	-176.1	85.5	0	0	0	0	114.3	K704 E887	S650-K704 WeakPolarHBondContact OG-CE 3.31Å; S650-K704 PolarHBondContact OG-NZ 2.82Å; S650-K704 VanDerWaalsContact OG-NZ 3.16Å; S650-E887 WeakPolarHBondContact CB-O 3.5Å; S650-E887 PolarHBondContact N-O 3.24Å; S650-E887 PolarHBondContact OG-OE2 2.77Å
651	D	96.4	Very high	96.3	Very high	12 Å²	12	18.3 Å²	18.3	6%	0.064	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	178.4	179.6	-142.6	-26.9	0	0	0	112.8	F649 L703 K704 I790	F649-D651 HydrophobicContact CD1-CB 4.08Å; F649-D651 WeakPolarHBondContact CD1-O 3.45Å; F649-D651 HydrophobicContact CE1-CB 3.87Å; F649-D651 PolarHBondContact O-N 3.16Å; F649-D651 VanDerWaalsContact O-N 3.16Å; D651-L703 WeakPolarHBondContact OD1-CA 3.11Å; D651-L703 VanDerWaalsContact OD1-CB 3.26Å; D651-L703 WeakPolarHBondContact OD1-CB 3.25Å; D651-L703 PolarHBondContact OD1-N 2.94Å; D651-K704 HydrophobicContact CB-CD 4.28Å; D651-K704 HydrophobicContact CB-CG 4.29Å; D651-K704 PolarHBondContact OD1-N 2.86Å; D651-K704 VanDerWaalsContact OD1-N 3.09Å; D651-K704 WeakPolarHBondContact OD2-CD 3.26Å; D651-K704 WeakPolarHBondContact OD2-CG 3.42Å; D651-K704 IonicContact OD2-NZ 3.58Å; D651-I790 HydrophobicContact CB-CD1 4.45Å; D651-I790 HydrophobicContact CB-CG2 4.39Å
652	G	96.6	Very high	96.3	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.9	-169.3	-177.8	0	0	0	0	0	111.6	R633 L703 I790	R633-G652 CarbonylContact O-C 3.17Å; R633-G652 VanDerWaalsContact O-CA 3.31Å; R633-G652 WeakPolarHBondContact O-CA 3.43Å; G652-L703 VanDerWaalsContact N-CB 3.31Å; G652-L703 PolarHBondContact O-N 3.15Å; G652-L703 VanDerWaalsContact O-N 3.11Å; G652-I790 WeakPolarHBondContact O-CD1 3.5Å
653	L	95.8	Very high	96.3	Very high	10 Å²	10	21.8 Å²	21.8	5%	0.052	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	120.4	179.1	-62.4	176.4	0	0	0	110.6	R633 R655 K700 L786 D787 I790	R633-L653 HydrophobicContact CB-CB 4.21Å; R633-L653 WeakPolarHBondContact CB-O 3.46Å; R633-L653 PolarHBondContact N-O 2.92Å; R633-L653 PolarHBondContact O-N 3.16Å; L653-R655 HydrophobicContact CB-CG 4.49Å; L653-K700 HydrophobicContact CD2-CD 4.16Å; L653-K700 HydrophobicContact CD2-CG 4.45Å; L653-L786 HydrophobicContact CD2-CD1 4.47Å; L653-L786 HydrophobicContact CD2-CG 4.32Å; L653-D787 WeakPolarHBondContact CD1-OD1 3.41Å; L653-I790 HydrophobicContact CD2-CD1 3.99Å
654	V	96.8	Very high	96.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	121.2	173.2	-173.6	0	0	0	0	108	F630 D631 L632 F656 K700 W701 L703 L706	F630-V654 HydrophobicContact CB-CG1 4.25Å; F630-V654 HydrophobicContact CD2-CG1 3.73Å; F630-V654 HydrophobicContact CE2-CG1 4.48Å; F630-V654 HydrophobicContact CG-CG1 4.22Å; D631-V654 WeakPolarHBondContact O-CA 3.46Å; L632-V654 HydrophobicContact CD2-CG1 4.17Å; L632-V654 HydrophobicContact CD2-CG2 3.97Å; V654-F656 HydrophobicContact CB-CE2 4.16Å; V654-F656 HydrophobicContact CG1-CD2 4.35Å; V654-F656 HydrophobicContact CG1-CE2 3.58Å; V654-F656 HydrophobicContact CG1-CZ 3.78Å; V654-K700 VanDerWaalsContact O-CA 3.32Å; V654-K700 WeakPolarHBondContact O-CA 3.47Å; V654-W701 HydrophobicContact CB-CB 4.26Å; V654-W701 PolarHBondContact N-O 2.94Å; V654-W701 PolarHBondContact O-N 2.93Å; V654-W701 VanDerWaalsContact O-N 3.08Å; V654-L703 HydrophobicContact CG2-CB 4.47Å; V654-L703 HydrophobicContact CG2-CD1 3.87Å; V654-L706 HydrophobicContact CG1-CD2 4.07Å; V654-L706 HydrophobicContact CG2-CB 3.81Å; V654-L706 HydrophobicContact CG2-CD2 3.76Å; V654-L706 HydrophobicContact CG2-CG 4.39Å
655	R	95.4	Very high	95.8	Very high	27 Å²	27	25.9 Å²	25.9	10%	0.102	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	116.9	-167.6	-56.5	-177.1	-61.3	-173	3.2	110.5	F630 D631 L653 D760	F630-R655 CarbonylContact C-O 3.36Å; F630-R655 WeakPolarHBondContact CA-O 3.26Å; F630-R655 WeakPolarHBondContact CB-O 3.42Å; D631-R655 PolarHBondContact N-O 2.98Å; D631-R655 PolarHBondContact O-N 3.31Å; D631-R655 IonicContact OD1-CZ 2.66Å; D631-R655 IonicContact OD1-NE 2.75Å; D631-R655 PolarHBondContact OD1-NE 2.78Å; D631-R655 IonicContact OD1-NH2 3.67Å; D631-R655 PolarHBondContact OD1-NH2 3.17Å; D631-R655 VanDerWaalsContact OD1-NH2 3.08Å; D631-R655 IonicContact OD2-CZ 2.65Å; D631-R655 IonicContact OD2-NE 2.69Å; D631-R655 PolarHBondContact OD2-NE 2.88Å; D631-R655 IonicContact OD2-NH2 2.66Å; D631-R655 PolarHBondContact OD2-NH2 2.88Å; L653-R655 HydrophobicContact CB-CG 4.49Å; R655-D760 IonicContact CZ-OD2 2.69Å; R655-D760 IonicContact NH1-OD2 3.94Å; R655-D760 VanDerWaalsContact NH2-CG 3.27Å; R655-D760 IonicContact NH2-OD1 2.69Å; R655-D760 IonicContact NH2-OD2 3.29Å; R655-D760 PolarHBondContact NH2-OD2 3.1Å
656	F	95.9	Very high	95.4	Very high	7 Å²	7	34.7 Å²	34.7	3%	0.031	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	143.7	-174.9	-64.6	-100.1	0	0	0	112.4	I625 N628 F630 V654 H699 W701	I625-F656 HydrophobicContact CB-CE1 4.11Å; I625-F656 HydrophobicContact CG2-CE1 4.29Å; N628-F656 HydrophobicContact CB-CD1 4.35Å; F630-F656 HydrophobicContact CB-CD1 3.71Å; F630-F656 HydrophobicContact CB-CE1 3.87Å; F630-F656 HydrophobicContact CB-CG 4.06Å; F630-F656 HydrophobicContact CB-CZ 4.36Å; F630-F656 HydrophobicContact CD1-CE1 4.16Å; F630-F656 HydrophobicContact CG-CD1 4.45Å; F630-F656 HydrophobicContact CG-CE1 4.16Å; V654-F656 HydrophobicContact CB-CE2 4.16Å; V654-F656 HydrophobicContact CG1-CD2 4.35Å; V654-F656 HydrophobicContact CG1-CE2 3.58Å; V654-F656 HydrophobicContact CG1-CZ 3.78Å; F656-H699 HydrophobicContact CB-CB 4.07Å; F656-H699 WeakPolarHBondContact CD2-O 3.43Å; F656-H699 PolarHBondContact N-O 3.48Å; F656-W701 HydrophobicContact CE1-CZ2 4.44Å; F656-W701 HydrophobicContact CE2-CB 4.37Å; F656-W701 AromaticContact CE2-CD1 3.84Å; F656-W701 AromaticContact CE2-CD2 3.57Å; F656-W701 HydrophobicContact CE2-CD2 3.57Å; F656-W701 AromaticContact CE2-CE2 3.69Å; F656-W701 HydrophobicContact CE2-CE3 4.17Å; F656-W701 AromaticContact CE2-CG 3.67Å; F656-W701 HydrophobicContact CE2-CG 3.67Å; F656-W701 HydrophobicContact CE2-CZ2 4.37Å; F656-W701 AromaticContact CE2-NE1 3.76Å; F656-W701 AromaticContact CZ-CD2 3.59Å; F656-W701 HydrophobicContact CZ-CD2 3.59Å; F656-W701 AromaticContact CZ-CE2 3.6Å; F656-W701 AromaticContact CZ-CE3 3.79Å; F656-W701 HydrophobicContact CZ-CE3 3.79Å; F656-W701 HydrophobicContact CZ-CG 4.2Å; F656-W701 HydrophobicContact CZ-CH2 4.07Å; F656-W701 AromaticContact CZ-CZ2 3.85Å; F656-W701 HydrophobicContact CZ-CZ2 3.85Å; F656-W701 HydrophobicContact CZ-CZ3 4.03Å
657	A	96.1	Very high	95.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.			trans	-66.4	135.4	159.6	0	0	0	0	0	108.7	N628 K629 F672 T676	N628-A657 PolarHBondContact ND2-O 2.93Å; K629-A657 HydrophobicContact CB-CB 4.11Å; K629-A657 WeakPolarHBondContact O-CB 3.49Å; K629-A657 PolarHBondContact O-N 2.84Å; A657-F672 CarbonylContact C-O 3.53Å; A657-F672 WeakPolarHBondContact CB-O 3.32Å; A657-T676 HydrophobicContact CB-CG2 4.14Å
658	S	93.5	Very high	94.8	Very high	7 Å²	7	36.8 Å²	36.8	5%	0.049	19%	0.193	C	C	.	.	S	Bend	trans	-80.7	-19.5	-176.5	48.6	0	0	0	0	114.3	F672 N681 N684	S658-F672 PolarHBondContact N-O 2.74Å; S658-F672 VanDerWaalsContact N-O 3.12Å; S658-N681 PolarHBondContact N-OD1 3.2Å; S658-N681 PolarHBondContact OG-OD1 3.27Å; S658-N681 VanDerWaalsContact OG-OD1 3.06Å; S658-N684 WeakPolarHBondContact OG-CB 3.41Å; S658-N684 PolarHBondContact OG-ND2 3.49Å
659	C	94.6	Very high	94.4	Very high	16 Å²	16	43.3 Å²	43.3	11%	0.108	23%	0.228	C	C	.	.	S	Bend	trans	-102.4	140	171.6	-58.4	0	0	0	0	112.2	Y661 F672 M673 N684 E686	C659-Y661 PolarHBondContact O-N 2.89Å; C659-F672 HydrophobicContact CB-CB 4.49Å; C659-F672 PolarHBondContact N-O 2.61Å; C659-F672 VanDerWaalsContact N-O 3.07Å; C659-M673 HydrophobicContact CB-CB 4.05Å; C659-N684 PolarHBondContact SG-ND2 2.99Å; C659-E686 PolarHBondContact SG-OE2 3.24Å
660	K	95.3	Very high	94.1	Very high	150 Å²	150	45.6 Å²	45.6	65%	0.652	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-54.5	134.9	174.5	-74.1	179.4	177.9	177.7	0	112.6	G626 N628 M673	G626-K660 WeakPolarHBondContact O-CE 3.48Å; N628-K660 VanDerWaalsContact OD1-CA 3.27Å; N628-K660 WeakPolarHBondContact OD1-CA 3.39Å; N628-K660 VanDerWaalsContact OD1-CG 3.24Å; N628-K660 WeakPolarHBondContact OD1-CG 3.38Å; N628-K660 PolarHBondContact OD1-N 2.87Å; K660-M673 WeakPolarHBondContact O-CE 3.36Å; K660-M673 WeakPolarHBondContact O-CG 3.47Å
661	Y	96.9	Very high	93.9	Very high	33 Å²	33	49 Å²	49	13%	0.129	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-73	136.2	-171.3	-175.4	-102.7	0	0	0	113.2	H620 P622 L624 G627 K629 C659 M673 H674	H620-Y661 VanDerWaalsContact C-OH 3.24Å; H620-Y661 WeakPolarHBondContact CA-OH 3.32Å; H620-Y661 PolarHBondContact O-OH 2.98Å; P622-Y661 HydrophobicContact CG-CD1 4.35Å; P622-Y661 HydrophobicContact CG-CE1 4.2Å; P622-Y661 HydrophobicContact CG-CE2 4.4Å; L624-Y661 HydrophobicContact CD1-CD1 4.05Å; L624-Y661 HydrophobicContact CD2-CD1 4.04Å; L624-Y661 HydrophobicContact CD2-CG 3.91Å; G627-Y661 WeakPolarHBondContact O-CB 3.5Å; G627-Y661 PolarHBondContact O-N 3.5Å; K629-Y661 HydrophobicContact CB-CD2 4.1Å; K629-Y661 HydrophobicContact CB-CG 4.44Å; K629-Y661 HydrophobicContact CD-CD2 4.16Å; K629-Y661 HydrophobicContact CD-CE2 4.26Å; C659-Y661 PolarHBondContact O-N 2.89Å; Y661-M673 HydrophobicContact CD2-CG 4.34Å; Y661-H674 AromaticContact CD2-ND1 3.79Å; Y661-H674 AromaticContact CE2-CE1 3.69Å; Y661-H674 AromaticContact CE2-ND1 3.43Å; Y661-H674 WeakPolarHBondContact CE2-ND1 3.21Å
662	S	95.4	Very high	93.7	Very high	39 Å²	39	51.4 Å²	51.4	27%	0.273	26%	0.261	S	S	.	.			trans	-124.9	135.9	170.7	-170.8	0	0	0	0	112	S664 M673 H674	S662-S664 PolarHBondContact O-N 3.26Å; S662-S664 WeakPolarHBondContact OG-CB 3.37Å; S662-S664 PolarHBondContact OG-N 2.98Å; S662-M673 PolarHBondContact N-SD 3.02Å; S662-H674 PolarHBondContact O-CE1 3.11Å
663	S	90.9	Very high	93.6	Very high	89 Å²	89	52.3 Å²	52.3	62%	0.622	27%	0.265	S	S	*	.			trans	-75.1	-7.5	172	59.9	0	0	0	0	113.4	K584	K584-S663 WeakPolarHBondContact CE-O 3.48Å; K584-S663 PolarHBondContact NZ-O 3.32Å
664	S	92.4	Very high	93.6	Very high	41 Å²	41	52 Å²	52	29%	0.287	26%	0.263	S	S	.	.			trans	-56	154.3	-179.1	-173	0	0	0	0	113.9	K584 S662 K666 T667	K584-S664 PolarHBondContact NZ-O 3.37Å; S662-S664 PolarHBondContact O-N 3.26Å; S662-S664 WeakPolarHBondContact OG-CB 3.37Å; S662-S664 PolarHBondContact OG-N 2.98Å; S664-K666 PolarHBondContact OG-N 3.26Å; S664-K666 VanDerWaalsContact OG-N 3.09Å; S664-T667 PolarHBondContact O-OG1 2.76Å
665	M	90.3	Very high	93.4	Very high	58 Å²	58	52.6 Å²	52.6	29%	0.286	27%	0.266	S	S	.	.	S	Bend	trans	-81.1	-21.5	167.2	-65.3	-59.7	-165.3	0	0	112.3	K582 K584 H602 T667 L668	K582-M665 WeakPolarHBondContact O-CE 3.41Å; K584-M665 HydrophobicContact CD-SD 4.24Å; K584-M665 WeakPolarHBondContact CE-SD 3.44Å; K584-M665 HydrophobicContact CG-CE 3.87Å; K584-M665 HydrophobicContact CG-SD 3.79Å; H602-M665 HydrophobicContact CB-CE 3.72Å; H602-M665 HydrophobicContact CB-SD 3.56Å; H602-M665 VanDerWaalsContact CB-SD 3.56Å; M665-T667 VanDerWaalsContact C-N 3.31Å; M665-T667 PolarHBondContact O-N 3.08Å; M665-L668 WeakPolarHBondContact O-CG 3.15Å; M665-L668 HydrophobicContact SD-CD1 3.88Å
666	K	90.9	Very high	93.3	Very high	198 Å²	198	51.6 Å²	51.6	86%	0.861	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-26.3	-178.8	-61.2	-175.6	179.4	-178.1	0	112.7	S664	S664-K666 PolarHBondContact OG-N 3.26Å; S664-K666 VanDerWaalsContact OG-N 3.09Å
667	T	92.3	Very high	93.1	Very high	34 Å²	34	52.2 Å²	52.2	21%	0.209	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-4.7	-174.4	53.7	0	0	0	0	114.2	S664 M665 N669 N670 M673 H674	S664-T667 PolarHBondContact O-OG1 2.76Å; M665-T667 VanDerWaalsContact C-N 3.31Å; M665-T667 PolarHBondContact O-N 3.08Å; T667-N669 PolarHBondContact O-N 2.89Å; T667-N670 WeakPolarHBondContact O-CB 3.45Å; T667-N670 PolarHBondContact O-N 3.49Å; T667-M673 HydrophobicContact CG2-CE 3.92Å; T667-M673 HydrophobicContact CG2-SD 4.2Å; T667-H674 PolarHBondContact O-NE2 2.7Å
668	L	91.1	Very high	92.6	Very high	9 Å²	9	56.6 Å²	56.6	5%	0.047	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.6	-170.6	-71.1	-175.9	0	0	0	115.2	K584 V600 H602 M665 N670	K584-L668 HydrophobicContact CD-CD2 3.89Å; V600-L668 HydrophobicContact CB-CD2 4.1Å; V600-L668 HydrophobicContact CG1-CD1 4.49Å; V600-L668 HydrophobicContact CG1-CD2 3.61Å; H602-L668 HydrophobicContact CB-CD1 4.13Å; H602-L668 WeakPolarHBondContact ND1-CD1 3.11Å; M665-L668 WeakPolarHBondContact O-CG 3.15Å; M665-L668 HydrophobicContact SD-CD1 3.88Å; L668-N670 VanDerWaalsContact C-N 3.34Å
669	N	90.9	Very high	92.2	Very high	137 Å²	137	58.1 Å²	58.1	73%	0.733	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-18.6	177.5	-63.6	-5.2	0	0	0	112.9	T667 K671	T667-N669 PolarHBondContact O-N 2.89Å; N669-K671 PolarHBondContact O-N 3.08Å; N669-K671 VanDerWaalsContact O-N 3.15Å
670	N	92.6	Very high	91.8	Very high	50 Å²	50	58.4 Å²	58.4	27%	0.267	30%	0.296	S	S	.	.			trans	-76.7	101.6	177.5	-175	-8.1	0	0	0	110.4	T667 L668 F672 M673 H674	T667-N670 WeakPolarHBondContact O-CB 3.45Å; T667-N670 PolarHBondContact O-N 3.49Å; L668-N670 VanDerWaalsContact C-N 3.34Å; N670-F672 WeakPolarHBondContact OD1-CA 3.28Å; N670-F672 WeakPolarHBondContact OD1-CB 3.27Å; N670-F672 PolarHBondContact OD1-N 2.83Å; N670-M673 HydrophobicContact CB-CB 4.14Å; N670-M673 PolarHBondContact O-N 3.46Å; N670-M673 PolarHBondContact OD1-N 2.97Å; N670-H674 PolarHBondContact O-N 3.24Å
671	K	92	Very high	91.6	Very high	112 Å²	112	51.3 Å²	51.3	49%	0.487	27%	0.265	S	S	.	.	H	α-helix	trans	-65.5	-35.2	177.5	-66.4	179.5	-178.3	174	0	112.8	N669 M673 H674 L675 V680	N669-K671 PolarHBondContact O-N 3.08Å; N669-K671 VanDerWaalsContact O-N 3.15Å; K671-M673 PolarHBondContact O-N 3.04Å; K671-H674 PolarHBondContact O-N 3.33Å; K671-L675 HydrophobicContact CB-CD1 4.16Å; K671-L675 HydrophobicContact CB-CG 4.47Å; K671-L675 HydrophobicContact CD-CD1 4.49Å; K671-L675 HydrophobicContact CG-CD1 4.25Å; K671-L675 WeakPolarHBondContact O-CB 2.85Å; K671-L675 PolarHBondContact O-N 3.1Å; K671-V680 HydrophobicContact CB-CG1 4.07Å
672	F	93.1	Very high	91.2	Very high	63 Å²	63	55 Å²	55	28%	0.276	28%	0.282	S	S	.	.	H	α-helix	trans	-68.8	-12	179.2	-49.3	-63	0	0	0	113.7	A657 S658 C659 N670 V680 N681 K683 N684	A657-F672 CarbonylContact C-O 3.53Å; A657-F672 WeakPolarHBondContact CB-O 3.32Å; S658-F672 PolarHBondContact N-O 2.74Å; S658-F672 VanDerWaalsContact N-O 3.12Å; C659-F672 HydrophobicContact CB-CB 4.49Å; C659-F672 PolarHBondContact N-O 2.61Å; C659-F672 VanDerWaalsContact N-O 3.07Å; N670-F672 WeakPolarHBondContact OD1-CA 3.28Å; N670-F672 WeakPolarHBondContact OD1-CB 3.27Å; N670-F672 PolarHBondContact OD1-N 2.83Å; F672-V680 HydrophobicContact CD1-CG1 3.97Å; F672-V680 HydrophobicContact CE1-CG1 4.17Å; F672-V680 WeakPolarHBondContact CE1-O 3.23Å; F672-N681 PolarHBondContact O-OD1 3.1Å; F672-K683 HydrophobicContact CE1-CB 4.45Å; F672-N684 HydrophobicContact CD1-CB 3.82Å; F672-N684 HydrophobicContact CD2-CB 4.41Å; F672-N684 HydrophobicContact CE1-CB 4Å; F672-N684 HydrophobicContact CG-CB 4.03Å; F672-N684 HydrophobicContact CZ-CB 4.37Å
673	M	94.1	Very high	90.8	Very high	18 Å²	18	61 Å²	61	9%	0.089	30%	0.303	C	S	.	.	H	α-helix	trans	-97.2	-28.6	173.9	-173.6	-170.9	-64.6	0	0	112.9	C659 K660 Y661 S662 T667 N670 K671	C659-M673 HydrophobicContact CB-CB 4.05Å; K660-M673 WeakPolarHBondContact O-CE 3.36Å; K660-M673 WeakPolarHBondContact O-CG 3.47Å; Y661-M673 HydrophobicContact CD2-CG 4.34Å; S662-M673 PolarHBondContact N-SD 3.02Å; T667-M673 HydrophobicContact CG2-CE 3.92Å; T667-M673 HydrophobicContact CG2-SD 4.2Å; N670-M673 HydrophobicContact CB-CB 4.14Å; N670-M673 PolarHBondContact O-N 3.46Å; N670-M673 PolarHBondContact OD1-N 2.97Å; K671-M673 PolarHBondContact O-N 3.04Å
674	H	94.4	Very high	90.8	Very high	3 Å²	3	57.8 Å²	57.8	1%	0.014	28%	0.279	C	S	.	.	H	α-helix	trans	-115.1	-19.9	-166.5	-67.7	-26.1	0	0	0	114.1	V600 K629 Y661 S662 T667 N670 K671	V600-H674 HydrophobicContact CG2-CB 4.31Å; K629-H674 PolarHBondContact NZ-O 2.65Å; Y661-H674 AromaticContact CD2-ND1 3.79Å; Y661-H674 AromaticContact CE2-CE1 3.69Å; Y661-H674 AromaticContact CE2-ND1 3.43Å; Y661-H674 WeakPolarHBondContact CE2-ND1 3.21Å; S662-H674 PolarHBondContact O-CE1 3.11Å; T667-H674 PolarHBondContact O-NE2 2.7Å; N670-H674 PolarHBondContact O-N 3.24Å; K671-H674 PolarHBondContact O-N 3.33Å
675	L	93.9	Very high	90.5	Very high	13 Å²	13	61.8 Å²	61.8	7%	0.068	31%	0.307	C	S	.	.			trans	-110.2	137.4	171.9	-51.3	-177	0	0	0	109.2	I586 I598 K671 V680 N681	I586-L675 HydrophobicContact CD1-CD2 4.39Å; I598-L675 HydrophobicContact CB-CD1 4.33Å; I598-L675 HydrophobicContact CB-CD2 4.4Å; I598-L675 HydrophobicContact CG2-CD1 4.44Å; I598-L675 HydrophobicContact CG2-CD2 3.66Å; K671-L675 HydrophobicContact CB-CD1 4.16Å; K671-L675 HydrophobicContact CB-CG 4.47Å; K671-L675 HydrophobicContact CD-CD1 4.49Å; K671-L675 HydrophobicContact CG-CD1 4.25Å; K671-L675 WeakPolarHBondContact O-CB 2.85Å; K671-L675 PolarHBondContact O-N 3.1Å; L675-V680 HydrophobicContact CD1-CG2 4.33Å; L675-N681 PolarHBondContact O-ND2 2.75Å
676	T	93.8	Very high	90.3	Very high	7 Å²	7	64.1 Å²	64.1	4%	0.043	32%	0.317	C	S	.	.			trans	-105.7	-4.3	-176	40.2	0	0	0	0	112.2	K629 D631 A657 Y678	K629-T676 HydrophobicContact CD-CG2 4.36Å; K629-T676 HydrophobicContact CG-CG2 3.99Å; D631-T676 WeakPolarHBondContact OD1-CB 3.29Å; D631-T676 PolarHBondContact OD1-OG1 3.27Å; A657-T676 HydrophobicContact CB-CG2 4.14Å; T676-Y678 PolarHBondContact O-N 3.23Å
677	N	90.3	Very high	90.2	Very high	20 Å²	20	56.4 Å²	56.4	11%	0.107	28%	0.283	C	S	.	.			trans	-59	129.9	179.3	-51.2	97.1	0	0	0	111.5	S679 V680 N681	N677-S679 VanDerWaalsContact C-N 3.29Å; N677-S679 PolarHBondContact O-N 3.49Å; N677-V680 HydrophobicContact CB-CG2 4.29Å; N677-V680 PolarHBondContact O-N 3.33Å; N677-N681 PolarHBondContact O-N 3.08Å; N677-N681 PolarHBondContact O-ND2 3.41Å; N677-N681 VanDerWaalsContact O-ND2 3.12Å
678	Y	86.8	Confident	89.7	Confident	91 Å²	91	60.9 Å²	60.9	36%	0.357	30%	0.301	S	S	.	.	H	α-helix	trans	-56.1	-39.3	177.5	170.4	-108.8	0	0	0	113	T676 V680 N681 K682 Y687	T676-Y678 PolarHBondContact O-N 3.23Å; Y678-V680 PolarHBondContact O-N 2.72Å; Y678-V680 VanDerWaalsContact O-N 3.15Å; Y678-N681 PolarHBondContact O-N 2.78Å; Y678-K682 HydrophobicContact CD2-CB 4.12Å; Y678-K682 HydrophobicContact CE1-CD 3.87Å; Y678-K682 HydrophobicContact CE2-CB 3.69Å; Y678-K682 HydrophobicContact CE2-CD 4.46Å; Y678-K682 VanDerWaalsContact O-CB 3.29Å; Y678-K682 WeakPolarHBondContact O-CB 3.48Å; Y678-K682 WeakPolarHBondContact O-CG 3.44Å; Y678-K682 PolarHBondContact O-N 2.97Å; Y678-Y687 HydrophobicContact CD2-CE2 4.4Å; Y678-Y687 AromaticContact CD2-CZ 3.9Å; Y678-Y687 WeakPolarHBondContact CD2-OH 3.41Å; Y678-Y687 HydrophobicContact CE2-CE1 4.11Å; Y678-Y687 AromaticContact CE2-CZ 3.93Å
679	S	84.9	Confident	89.1	Confident	40 Å²	40	65 Å²	65	28%	0.28	33%	0.327	S	S	.	.	H	α-helix	trans	-59	-24.4	176.5	49.4	0	0	0	0	114.6	R594 N677	R594-S679 PolarHBondContact O-OG 3.24Å; N677-S679 VanDerWaalsContact C-N 3.29Å; N677-S679 PolarHBondContact O-N 3.49Å
680	V	86.6	Confident	88.3	Confident	22 Å²	22	58.9 Å²	58.9	13%	0.133	29%	0.294	C	S	.	.	H	α-helix	trans	-89.1	-56	172.8	178.7	0	0	0	0	109.3	K671 F672 L675 N677 Y678 K682 K683	K671-V680 HydrophobicContact CB-CG1 4.07Å; F672-V680 HydrophobicContact CD1-CG1 3.97Å; F672-V680 HydrophobicContact CE1-CG1 4.17Å; F672-V680 WeakPolarHBondContact CE1-O 3.23Å; L675-V680 HydrophobicContact CD1-CG2 4.33Å; N677-V680 HydrophobicContact CB-CG2 4.29Å; N677-V680 PolarHBondContact O-N 3.33Å; Y678-V680 PolarHBondContact O-N 2.72Å; Y678-V680 VanDerWaalsContact O-N 3.15Å; V680-K682 VanDerWaalsContact C-N 3.34Å; V680-K682 PolarHBondContact O-N 2.78Å; V680-K683 PolarHBondContact O-N 2.71Å; V680-K683 VanDerWaalsContact O-N 3.15Å
681	N	91.2	Very high	86.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-68.5	-27.7	-170.4	-70.3	-74.9	0	0	0	113.9	S658 F672 L675 N677 Y678 K683 N684 Y687	S658-N681 PolarHBondContact N-OD1 3.2Å; S658-N681 PolarHBondContact OG-OD1 3.27Å; S658-N681 VanDerWaalsContact OG-OD1 3.06Å; F672-N681 PolarHBondContact O-OD1 3.1Å; L675-N681 PolarHBondContact O-ND2 2.75Å; N677-N681 PolarHBondContact O-N 3.08Å; N677-N681 PolarHBondContact O-ND2 3.41Å; N677-N681 VanDerWaalsContact O-ND2 3.12Å; Y678-N681 PolarHBondContact O-N 2.78Å; N681-K683 PolarHBondContact O-N 2.9Å; N681-N684 PolarHBondContact O-N 3.35Å; N681-Y687 HydrophobicContact CB-CD2 3.83Å; N681-Y687 HydrophobicContact CB-CE2 4.11Å; N681-Y687 VanDerWaalsContact O-CB 3.29Å; N681-Y687 WeakPolarHBondContact O-CB 3.48Å; N681-Y687 WeakPolarHBondContact O-CD2 3.35Å
682	K	87.8	Confident	85.9	Confident	112 Å²	112	59.8 Å²	59.8	49%	0.487	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-10.6	173.4	82.7	166.3	-169.3	167.3	0	114.5	Y678 V680	Y678-K682 HydrophobicContact CD2-CB 4.12Å; Y678-K682 HydrophobicContact CE1-CD 3.87Å; Y678-K682 HydrophobicContact CE2-CB 3.69Å; Y678-K682 HydrophobicContact CE2-CD 4.46Å; Y678-K682 VanDerWaalsContact O-CB 3.29Å; Y678-K682 WeakPolarHBondContact O-CB 3.48Å; Y678-K682 WeakPolarHBondContact O-CG 3.44Å; Y678-K682 PolarHBondContact O-N 2.97Å; V680-K682 VanDerWaalsContact C-N 3.34Å; V680-K682 PolarHBondContact O-N 2.78Å
683	K	87.6	Confident	84.4	Confident	163 Å²	163	59.3 Å²	59.3	71%	0.709	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	2.5	178.7	-54.1	-164.4	178.8	-159.5	0	113.6	F672 V680 N681	F672-K683 HydrophobicContact CE1-CB 4.45Å; V680-K683 PolarHBondContact O-N 2.71Å; V680-K683 VanDerWaalsContact O-N 3.15Å; N681-K683 PolarHBondContact O-N 2.9Å
684	N	89.6	Confident	83.3	Confident	22 Å²	22	66.9 Å²	66.9	12%	0.118	35%	0.346	C	S	.	.	S	Bend	trans	-93.3	137.4	171	-172.4	6.8	0	0	0	109.6	S658 C659 F672 N681 E686 Y687	S658-N684 WeakPolarHBondContact OG-CB 3.41Å; S658-N684 PolarHBondContact OG-ND2 3.49Å; C659-N684 PolarHBondContact SG-ND2 2.99Å; F672-N684 HydrophobicContact CD1-CB 3.82Å; F672-N684 HydrophobicContact CD2-CB 4.41Å; F672-N684 HydrophobicContact CE1-CB 4Å; F672-N684 HydrophobicContact CG-CB 4.03Å; F672-N684 HydrophobicContact CZ-CB 4.37Å; N681-N684 PolarHBondContact O-N 3.35Å; N684-E686 PolarHBondContact ND2-OE2 2.73Å; N684-E686 PolarHBondContact O-N 2.59Å; N684-E686 PolarHBondContact OD1-N 2.72Å; N684-Y687 VanDerWaalsContact O-CB 3.24Å; N684-Y687 WeakPolarHBondContact O-CB 3.19Å; N684-Y687 PolarHBondContact O-N 2.81Å; N684-Y687 VanDerWaalsContact O-N 3.08Å
685	S	87.4	Confident	82.2	Confident	126 Å²	126	67.2 Å²	67.2	88%	0.881	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.8	174.9	47.9	0	0	0	0	113.4	Y687	S685-Y687 PolarHBondContact O-N 3.1Å
686	E	86.2	Confident	81.5	Confident	107 Å²	107	68.9 Å²	68.9	50%	0.5	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-4	173.1	-53.5	174	128.6	0	0	113.2	C659 N684 Q688 H699	C659-E686 PolarHBondContact SG-OE2 3.24Å; N684-E686 PolarHBondContact ND2-OE2 2.73Å; N684-E686 PolarHBondContact O-N 2.59Å; N684-E686 PolarHBondContact OD1-N 2.72Å; E686-Q688 PolarHBondContact O-N 2.97Å; E686-Q688 VanDerWaalsContact O-N 3.1Å; E686-H699 PolarHBondContact O-CE1 3.27Å
687	Y	87	Confident	80.8	Confident	36 Å²	36	74.7 Å²	74.7	14%	0.141	39%	0.388	C	S	.	.			trans	-74.7	103.2	-176.6	-173.9	-88.1	0	0	0	112.3	Y678 N681 N684 S685 T689 H699	Y678-Y687 HydrophobicContact CD2-CE2 4.4Å; Y678-Y687 AromaticContact CD2-CZ 3.9Å; Y678-Y687 WeakPolarHBondContact CD2-OH 3.41Å; Y678-Y687 HydrophobicContact CE2-CE1 4.11Å; Y678-Y687 AromaticContact CE2-CZ 3.93Å; N681-Y687 HydrophobicContact CB-CD2 3.83Å; N681-Y687 HydrophobicContact CB-CE2 4.11Å; N681-Y687 VanDerWaalsContact O-CB 3.29Å; N681-Y687 WeakPolarHBondContact O-CB 3.48Å; N681-Y687 WeakPolarHBondContact O-CD2 3.35Å; N684-Y687 VanDerWaalsContact O-CB 3.24Å; N684-Y687 WeakPolarHBondContact O-CB 3.19Å; N684-Y687 PolarHBondContact O-N 2.81Å; N684-Y687 VanDerWaalsContact O-N 3.08Å; S685-Y687 PolarHBondContact O-N 3.1Å; Y687-T689 HydrophobicContact CE1-CG2 4.07Å; Y687-H699 HydrophobicContact CD2-CB 3.8Å; Y687-H699 HydrophobicContact CE2-CB 3.46Å; Y687-H699 VanDerWaalsContact CE2-CB 3.46Å
688	Q	83.4	Confident	80.6	Confident	127 Å²	127	74.6 Å²	74.6	59%	0.593	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-85.5	126.3	171.1	-63.2	168.7	-7.1	0	0	111.2	E686 H699	E686-Q688 PolarHBondContact O-N 2.97Å; E686-Q688 VanDerWaalsContact O-N 3.1Å; Q688-H699 PolarHBondContact N-ND1 3.28Å; Q688-H699 VanDerWaalsContact N-ND1 3.16Å; Q688-H699 PolarHBondContact O-N 3.4Å; Q688-H699 PolarHBondContact O-ND1 3.12Å
689	T	78.3	Confident	80.7	Confident	96 Å²	96	71 Å²	71	59%	0.589	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-69.8	157.7	165.1	42	0	0	0	0	111.4	Y687	Y687-T689 HydrophobicContact CE1-CG2 4.07Å
690	N	74.2	Confident	81.1	Confident	8 Å²	8	70 Å²	70	4%	0.043	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-103.8	139.8	165.4	-166.3	5.8	0	0	0	108.9	D692 A695 Q697 K700 L786	N690-D692 VanDerWaalsContact CG-O 3.25Å; N690-D692 PolarHBondContact ND2-O 3.33Å; N690-D692 PolarHBondContact OD1-N 2.94Å; N690-D692 PolarHBondContact OD1-O 3.09Å; N690-D692 VanDerWaalsContact OD1-O 3.13Å; N690-A695 PolarHBondContact ND2-O 3.04Å; N690-Q697 VanDerWaalsContact CB-O 3.27Å; N690-Q697 WeakPolarHBondContact CB-O 3.28Å; N690-Q697 PolarHBondContact ND2-O 3.17Å; N690-K700 WeakPolarHBondContact CB-O 3.26Å; N690-K700 PolarHBondContact ND2-O 3.36Å; N690-L786 HydrophobicContact CB-CD2 4.38Å
691	S	62.8	Low	81.4	Confident	104 Å²	104	69.7 Å²	69.7	73%	0.727	37%	0.365	S	S	*	.			trans	-108.2	-18.9	-176.3	-56.7	0	0	0	0	113.3
692	D	70.1	Confident	81.6	Confident	78 Å²	78	69.9 Å²	69.9	42%	0.417	37%	0.366	S	S	.	.			trans	-120	132.9	-178.2	166.2	9	0	0	0	108.2	N690 K694 A695	N690-D692 VanDerWaalsContact CG-O 3.25Å; N690-D692 PolarHBondContact ND2-O 3.33Å; N690-D692 PolarHBondContact OD1-N 2.94Å; N690-D692 PolarHBondContact OD1-O 3.09Å; N690-D692 VanDerWaalsContact OD1-O 3.13Å; D692-K694 VanDerWaalsContact C-N 3.35Å; D692-K694 PolarHBondContact OD1-N 3.46Å; D692-A695 HydrophobicContact CB-CB 3.68Å; D692-A695 PolarHBondContact O-N 3.01Å; D692-A695 PolarHBondContact OD1-N 2.99Å; D692-A695 WeakPolarHBondContact OD2-CB 3.44Å
693	D	62.8	Low	82	Confident	53 Å²	53	64.5 Å²	64.5	28%	0.283	34%	0.343	S	S	.	.	S	Bend	trans	-77.3	-19.5	-176.7	62.9	3.6	0	0	0	113.9	A702 L786 S789	D693-A702 WeakPolarHBondContact O-CB 3.26Å; D693-L786 HydrophobicContact CB-CB 4.28Å; D693-L786 HydrophobicContact CB-CD1 3.69Å; D693-S789 WeakPolarHBondContact OD2-CB 3.05Å; D693-S789 PolarHBondContact OD2-OG 3.47Å
694	K	69.8	Low	82.4	Confident	176 Å²	176	60.8 Å²	60.8	77%	0.765	33%	0.327	S	S	*	.	S	Bend	trans	-88.3	-22.3	173.3	-65.2	167.4	-171.6	173.2	0	112.3	D692	D692-K694 VanDerWaalsContact C-N 3.35Å; D692-K694 PolarHBondContact OD1-N 3.46Å
695	A	72	Confident	82.7	Confident	10 Å²	10	60.1 Å²	60.1	8%	0.083	33%	0.325	C	S	.	.			trans	-71	132.3	-179.4	0	0	0	0	0	113	N690 D692 Q697	N690-A695 PolarHBondContact ND2-O 3.04Å; D692-A695 HydrophobicContact CB-CB 3.68Å; D692-A695 PolarHBondContact O-N 3.01Å; D692-A695 PolarHBondContact OD1-N 2.99Å; D692-A695 WeakPolarHBondContact OD2-CB 3.44Å; A695-Q697 HydrophobicContact CB-CB 4.12Å; A695-Q697 HydrophobicContact CB-CG 3.96Å; A695-Q697 PolarHBondContact O-N 2.94Å
696	C	80	Confident	83.1	Confident	48 Å²	48	54.1 Å²	54.1	32%	0.324	28%	0.283	S	S	.	.			trans	-81.7	54.6	166.6	-66.2	0	0	0	0	111.2	W701	C696-W701 VanDerWaalsContact C-CE2 3.45Å; C696-W701 HydrophobicContact CB-CD2 4.12Å; C696-W701 HydrophobicContact CB-CE3 4.04Å; C696-W701 HydrophobicContact CB-CH2 3.76Å; C696-W701 HydrophobicContact CB-CZ2 3.86Å; C696-W701 HydrophobicContact CB-CZ3 3.86Å; C696-W701 VanDerWaalsContact O-CZ2 3.32Å; C696-W701 WeakPolarHBondContact O-CZ2 3.33Å
697	Q	78.8	Confident	83.6	Confident	129 Å²	129	50.7 Å²	50.7	60%	0.603	27%	0.265	S	S	*	.			trans	-119	156.3	-173.1	-69.2	-177.8	32.3	0	0	112.8	N690 A695 W701	N690-Q697 VanDerWaalsContact CB-O 3.27Å; N690-Q697 WeakPolarHBondContact CB-O 3.28Å; N690-Q697 PolarHBondContact ND2-O 3.17Å; A695-Q697 HydrophobicContact CB-CB 4.12Å; A695-Q697 HydrophobicContact CB-CG 3.96Å; A695-Q697 PolarHBondContact O-N 2.94Å; Q697-W701 PolarHBondContact O-NE1 2.94Å; Q697-W701 VanDerWaalsContact O-NE1 3.11Å
698	G	85.6	Confident	84	Confident	19 Å²	19	56 Å²	56	20%	0.196	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	-156.9	-178.8	0	0	0	0	0	114.3	W701	G698-W701 PolarHBondContact O-NE1 2.9Å; G698-W701 VanDerWaalsContact O-NE1 3.1Å
699	H	89.9	Confident	84.6	Confident	15 Å²	15	52.2 Å²	52.2	7%	0.069	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107	13.8	-169.8	-66	84.5	0	0	0	114.8	N628 F656 E686 Y687 Q688	N628-H699 PolarHBondContact ND2-NE2 3.32Å; F656-H699 HydrophobicContact CB-CB 4.07Å; F656-H699 WeakPolarHBondContact CD2-O 3.43Å; F656-H699 PolarHBondContact N-O 3.48Å; E686-H699 PolarHBondContact O-CE1 3.27Å; Y687-H699 HydrophobicContact CD2-CB 3.8Å; Y687-H699 HydrophobicContact CE2-CB 3.46Å; Y687-H699 VanDerWaalsContact CE2-CB 3.46Å; Q688-H699 PolarHBondContact N-ND1 3.28Å; Q688-H699 VanDerWaalsContact N-ND1 3.16Å; Q688-H699 PolarHBondContact O-N 3.4Å; Q688-H699 PolarHBondContact O-ND1 3.12Å
700	K	91.8	Very high	85.5	Confident	18 Å²	18	47.7 Å²	47.7	8%	0.078	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	117.5	172.6	-169.6	-156.5	-55.7	167.9	0	109.5	L653 V654 N690 S784 L786 D787	L653-K700 HydrophobicContact CD2-CD 4.16Å; L653-K700 HydrophobicContact CD2-CG 4.45Å; V654-K700 VanDerWaalsContact O-CA 3.32Å; V654-K700 WeakPolarHBondContact O-CA 3.47Å; N690-K700 WeakPolarHBondContact CB-O 3.26Å; N690-K700 PolarHBondContact ND2-O 3.36Å; K700-S784 PolarHBondContact NZ-OG 2.95Å; K700-L786 HydrophobicContact CB-CD2 4.45Å; K700-L786 HydrophobicContact CD-CD2 3.91Å; K700-L786 HydrophobicContact CD-CG 4.43Å; K700-L786 HydrophobicContact CG-CD2 4.09Å; K700-L786 VanDerWaalsContact O-CD2 3.28Å; K700-L786 WeakPolarHBondContact O-CD2 3.37Å; K700-D787 VanDerWaalsContact NZ-CG 3.32Å; K700-D787 IonicContact NZ-OD1 3.35Å; K700-D787 PolarHBondContact NZ-OD1 3.06Å; K700-D787 IonicContact NZ-OD2 3.1Å; K700-D787 PolarHBondContact NZ-OD2 3.49Å
701	W	94.2	Very high	86.6	Confident	17 Å²	17	49.1 Å²	49.1	6%	0.064	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	160.1	176.8	-51.8	-11.9	0	0	0	110.7	I625 V654 F656 C696 Q697 G698 L706 F709	I625-W701 HydrophobicContact CD1-CZ3 4.5Å; I625-W701 HydrophobicContact CG2-CH2 3.64Å; I625-W701 HydrophobicContact CG2-CZ2 4.36Å; I625-W701 HydrophobicContact CG2-CZ3 4.31Å; V654-W701 HydrophobicContact CB-CB 4.26Å; V654-W701 PolarHBondContact N-O 2.94Å; V654-W701 PolarHBondContact O-N 2.93Å; V654-W701 VanDerWaalsContact O-N 3.08Å; F656-W701 HydrophobicContact CE1-CZ2 4.44Å; F656-W701 HydrophobicContact CE2-CB 4.37Å; F656-W701 AromaticContact CE2-CD1 3.84Å; F656-W701 AromaticContact CE2-CD2 3.57Å; F656-W701 HydrophobicContact CE2-CD2 3.57Å; F656-W701 AromaticContact CE2-CE2 3.69Å; F656-W701 HydrophobicContact CE2-CE3 4.17Å; F656-W701 AromaticContact CE2-CG 3.67Å; F656-W701 HydrophobicContact CE2-CG 3.67Å; F656-W701 HydrophobicContact CE2-CZ2 4.37Å; F656-W701 AromaticContact CE2-NE1 3.76Å; F656-W701 AromaticContact CZ-CD2 3.59Å; F656-W701 HydrophobicContact CZ-CD2 3.59Å; F656-W701 AromaticContact CZ-CE2 3.6Å; F656-W701 AromaticContact CZ-CE3 3.79Å; F656-W701 HydrophobicContact CZ-CE3 3.79Å; F656-W701 HydrophobicContact CZ-CG 4.2Å; F656-W701 HydrophobicContact CZ-CH2 4.07Å; F656-W701 AromaticContact CZ-CZ2 3.85Å; F656-W701 HydrophobicContact CZ-CZ2 3.85Å; F656-W701 HydrophobicContact CZ-CZ3 4.03Å; C696-W701 VanDerWaalsContact C-CE2 3.45Å; C696-W701 HydrophobicContact CB-CD2 4.12Å; C696-W701 HydrophobicContact CB-CE3 4.04Å; C696-W701 HydrophobicContact CB-CH2 3.76Å; C696-W701 HydrophobicContact CB-CZ2 3.86Å; C696-W701 HydrophobicContact CB-CZ3 3.86Å; C696-W701 VanDerWaalsContact O-CZ2 3.32Å; C696-W701 WeakPolarHBondContact O-CZ2 3.33Å; Q697-W701 PolarHBondContact O-NE1 2.94Å; Q697-W701 VanDerWaalsContact O-NE1 3.11Å; G698-W701 PolarHBondContact O-NE1 2.9Å; G698-W701 VanDerWaalsContact O-NE1 3.1Å; W701-L706 HydrophobicContact CE3-CB 4.5Å; W701-L706 HydrophobicContact CZ3-CD1 4.4Å; W701-F709 HydrophobicContact CH2-CD2 4.41Å; W701-F709 HydrophobicContact CH2-CG 4.48Å; W701-F709 HydrophobicContact CZ3-CB 4.25Å; W701-F709 HydrophobicContact CZ3-CD1 4.34Å; W701-F709 HydrophobicContact CZ3-CD2 4.4Å; W701-F709 HydrophobicContact CZ3-CG 4.06Å
702	A	95.1	Very high	88.2	Confident	3 Å²	3	47.8 Å²	47.8	3%	0.025	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	154.1	159.5	0	0	0	0	0	110.6	D693 A705 L706 L786 I790	D693-A702 WeakPolarHBondContact O-CB 3.26Å; A702-A705 HydrophobicContact CB-CB 4.06Å; A702-A705 PolarHBondContact O-N 3.15Å; A702-L706 PolarHBondContact O-N 2.91Å; A702-L786 HydrophobicContact CB-CD1 3.93Å; A702-I790 HydrophobicContact CB-CD1 3.81Å
703	L	96.6	Very high	89.4	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-72	-38.6	174.3	-170.9	66.5	0	0	0	110.8	L632 I634 D651 G652 V654 A705 L706 W707 W721	L632-L703 HydrophobicContact CB-CD1 4.45Å; L632-L703 HydrophobicContact CD1-CD1 4.35Å; L632-L703 HydrophobicContact CD2-CD1 3.86Å; L632-L703 HydrophobicContact CG-CD1 4.44Å; I634-L703 HydrophobicContact CG1-CD2 4.02Å; D651-L703 WeakPolarHBondContact OD1-CA 3.11Å; D651-L703 VanDerWaalsContact OD1-CB 3.26Å; D651-L703 WeakPolarHBondContact OD1-CB 3.25Å; D651-L703 PolarHBondContact OD1-N 2.94Å; G652-L703 VanDerWaalsContact N-CB 3.31Å; G652-L703 PolarHBondContact O-N 3.15Å; G652-L703 VanDerWaalsContact O-N 3.11Å; V654-L703 HydrophobicContact CG2-CB 4.47Å; V654-L703 HydrophobicContact CG2-CD1 3.87Å; L703-A705 VanDerWaalsContact C-N 3.28Å; L703-A705 PolarHBondContact O-N 2.99Å; L703-L706 HydrophobicContact CD1-CD2 4.36Å; L703-L706 PolarHBondContact O-N 3.22Å; L703-L706 VanDerWaalsContact O-N 3.14Å; L703-W707 HydrophobicContact CD1-CH2 4.23Å; L703-W707 HydrophobicContact CD1-CZ2 3.68Å; L703-W707 HydrophobicContact CD2-CZ2 4.18Å; L703-W707 HydrophobicContact CG-CZ2 3.91Å; L703-W707 PolarHBondContact O-N 3.32Å; L703-W721 HydrophobicContact CD2-CH2 3.89Å; L703-W721 HydrophobicContact CD2-CZ3 3.78Å
704	K	95.3	Very high	91	Very high	84 Å²	84	51.4 Å²	51.4	37%	0.365	28%	0.282	S	S	.	.	H	α-helix	trans	-55.7	-41.4	171.5	-69.3	175.4	-169.7	156.7	0	112	S650 D651 W707 H708 E887	S650-K704 WeakPolarHBondContact OG-CE 3.31Å; S650-K704 PolarHBondContact OG-NZ 2.82Å; S650-K704 VanDerWaalsContact OG-NZ 3.16Å; D651-K704 HydrophobicContact CB-CD 4.28Å; D651-K704 HydrophobicContact CB-CG 4.29Å; D651-K704 PolarHBondContact OD1-N 2.86Å; D651-K704 VanDerWaalsContact OD1-N 3.09Å; D651-K704 WeakPolarHBondContact OD2-CD 3.26Å; D651-K704 WeakPolarHBondContact OD2-CG 3.42Å; D651-K704 IonicContact OD2-NZ 3.58Å; K704-W707 PolarHBondContact O-N 2.97Å; K704-H708 PolarHBondContact O-N 3.06Å; K704-E887 IonicContact NZ-OE1 3.11Å; K704-E887 PolarHBondContact NZ-OE1 3.47Å; K704-E887 IonicContact NZ-OE2 2.88Å; K704-E887 PolarHBondContact NZ-OE2 3.41Å
705	A	95	Very high	92.3	Very high	9 Å²	9	44.4 Å²	44.4	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-65.1	-38.8	176.8	0	0	0	0	0	112.7	A702 L703 H708 F709	A702-A705 HydrophobicContact CB-CB 4.06Å; A702-A705 PolarHBondContact O-N 3.15Å; L703-A705 VanDerWaalsContact C-N 3.28Å; L703-A705 PolarHBondContact O-N 2.99Å; A705-H708 PolarHBondContact O-N 2.99Å; A705-F709 WeakPolarHBondContact O-CB 3.4Å; A705-F709 PolarHBondContact O-N 3.15Å
706	L	96.4	Very high	93.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-40.8	172.6	173.8	68.9	0	0	0	112.2	I625 F630 L632 V654 W701 A702 L703 F709 L710	I625-L706 HydrophobicContact CD1-CD1 3.47Å; I625-L706 VanDerWaalsContact CD1-CD1 3.47Å; F630-L706 HydrophobicContact CE2-CD2 4.08Å; L632-L706 HydrophobicContact CD2-CD2 3.4Å; L632-L706 VanDerWaalsContact CD2-CD2 3.4Å; V654-L706 HydrophobicContact CG1-CD2 4.07Å; V654-L706 HydrophobicContact CG2-CB 3.81Å; V654-L706 HydrophobicContact CG2-CD2 3.76Å; V654-L706 HydrophobicContact CG2-CG 4.39Å; W701-L706 HydrophobicContact CE3-CB 4.5Å; W701-L706 HydrophobicContact CZ3-CD1 4.4Å; A702-L706 PolarHBondContact O-N 2.91Å; L703-L706 HydrophobicContact CD1-CD2 4.36Å; L703-L706 PolarHBondContact O-N 3.22Å; L703-L706 VanDerWaalsContact O-N 3.14Å; L706-F709 HydrophobicContact CD1-CD1 4.46Å; L706-F709 PolarHBondContact O-N 3.07Å; L706-L710 HydrophobicContact CD1-CD1 3.97Å; L706-L710 HydrophobicContact CD1-CD2 4.36Å; L706-L710 HydrophobicContact CD1-CG 3.9Å; L706-L710 HydrophobicContact CD2-CD1 4.46Å; L706-L710 HydrophobicContact CG-CD1 3.99Å; L706-L710 HydrophobicContact CG-CG 4.27Å; L706-L710 WeakPolarHBondContact O-CG 3.5Å; L706-L710 PolarHBondContact O-N 2.89Å
707	W	96.9	Very high	94.3	Very high	34 Å²	34	47.4 Å²	47.4	13%	0.129	27%	0.265	C	S	.	.	H	α-helix	trans	-63.1	-44.2	177.2	-60.1	149.6	0	0	0	111.5	L632 L703 K704 F709 L710 G711 T717 I720 W721 I724	L632-W707 HydrophobicContact CD1-CH2 3.95Å; L703-W707 HydrophobicContact CD1-CH2 4.23Å; L703-W707 HydrophobicContact CD1-CZ2 3.68Å; L703-W707 HydrophobicContact CD2-CZ2 4.18Å; L703-W707 HydrophobicContact CG-CZ2 3.91Å; L703-W707 PolarHBondContact O-N 3.32Å; K704-W707 PolarHBondContact O-N 2.97Å; W707-F709 PolarHBondContact O-N 2.96Å; W707-L710 HydrophobicContact CE3-CD1 4.03Å; W707-L710 HydrophobicContact CZ3-CD1 3.99Å; W707-L710 PolarHBondContact O-N 2.81Å; W707-G711 PolarHBondContact O-N 2.97Å; W707-T717 HydrophobicContact CB-CG2 4.12Å; W707-T717 HydrophobicContact CD2-CG2 4.46Å; W707-T717 HydrophobicContact CE3-CG2 3.95Å; W707-T717 WeakPolarHBondContact O-CG2 3.38Å; W707-I720 HydrophobicContact CH2-CG2 4.36Å; W707-I720 HydrophobicContact CZ3-CG2 4.45Å; W707-W721 AromaticContact CZ2-CE3 3.61Å; W707-W721 HydrophobicContact CZ2-CE3 3.61Å; W707-W721 AromaticContact CZ2-CZ3 3.94Å; W707-W721 HydrophobicContact CZ2-CZ3 3.94Å; W707-I724 HydrophobicContact CH2-CD1 4.02Å; W707-I724 HydrophobicContact CZ2-CD1 4.3Å
708	H	95.6	Very high	95.2	Very high	148 Å²	148	46.2 Å²	46.2	69%	0.685	26%	0.263	S	S	*	.	H	α-helix	trans	-58.5	-44.6	171.6	-177.4	-94.5	0	0	0	112.3	K704 A705 L710 G711 S712	K704-H708 PolarHBondContact O-N 3.06Å; A705-H708 PolarHBondContact O-N 2.99Å; H708-L710 PolarHBondContact O-N 2.84Å; H708-G711 PolarHBondContact O-N 2.77Å; H708-S712 WeakPolarHBondContact O-CB 3.42Å; H708-S712 PolarHBondContact O-N 3.32Å
709	F	96	Very high	95.7	Very high	48 Å²	48	49.9 Å²	49.9	21%	0.211	28%	0.278	C	S	.	.	H	α-helix	trans	-59.9	-45.8	176.2	175.5	-91.3	0	0	0	112.7	I625 W701 A705 L706 W707 S712 K713	I625-F709 HydrophobicContact CD1-CD1 4.05Å; I625-F709 HydrophobicContact CD1-CE1 3.85Å; I625-F709 HydrophobicContact CG1-CE1 3.91Å; I625-F709 HydrophobicContact CG2-CE1 3.94Å; I625-F709 HydrophobicContact CG2-CZ 3.9Å; W701-F709 HydrophobicContact CH2-CD2 4.41Å; W701-F709 HydrophobicContact CH2-CG 4.48Å; W701-F709 HydrophobicContact CZ3-CB 4.25Å; W701-F709 HydrophobicContact CZ3-CD1 4.34Å; W701-F709 HydrophobicContact CZ3-CD2 4.4Å; W701-F709 HydrophobicContact CZ3-CG 4.06Å; A705-F709 WeakPolarHBondContact O-CB 3.4Å; A705-F709 PolarHBondContact O-N 3.15Å; L706-F709 HydrophobicContact CD1-CD1 4.46Å; L706-F709 PolarHBondContact O-N 3.07Å; W707-F709 PolarHBondContact O-N 2.96Å; F709-S712 PolarHBondContact O-N 2.81Å; F709-S712 PolarHBondContact O-OG 2.91Å; F709-K713 PolarHBondContact O-N 2.88Å
710	L	96.9	Very high	96.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-70.3	-39.6	179.7	-65.6	178.3	0	0	0	111.7	Y623 L706 W707 H708 S712 K713 I715 T717 L763	Y623-L710 HydrophobicContact CE1-CD2 3.72Å; L706-L710 HydrophobicContact CD1-CD1 3.97Å; L706-L710 HydrophobicContact CD1-CD2 4.36Å; L706-L710 HydrophobicContact CD1-CG 3.9Å; L706-L710 HydrophobicContact CD2-CD1 4.46Å; L706-L710 HydrophobicContact CG-CD1 3.99Å; L706-L710 HydrophobicContact CG-CG 4.27Å; L706-L710 WeakPolarHBondContact O-CG 3.5Å; L706-L710 PolarHBondContact O-N 2.89Å; W707-L710 HydrophobicContact CE3-CD1 4.03Å; W707-L710 HydrophobicContact CZ3-CD1 3.99Å; W707-L710 PolarHBondContact O-N 2.81Å; H708-L710 PolarHBondContact O-N 2.84Å; L710-S712 VanDerWaalsContact C-N 3.31Å; L710-S712 PolarHBondContact O-N 2.96Å; L710-K713 CarbonylContact O-C 3.58Å; L710-K713 WeakPolarHBondContact O-CA 3.33Å; L710-K713 WeakPolarHBondContact O-CB 3.18Å; L710-K713 PolarHBondContact O-N 2.79Å; L710-I715 HydrophobicContact CB-CB 4.18Å; L710-I715 HydrophobicContact CB-CD1 4.36Å; L710-I715 HydrophobicContact CB-CG2 4.29Å; L710-I715 HydrophobicContact CD2-CD1 3.79Å; L710-I715 WeakPolarHBondContact O-CB 3.45Å; L710-I715 PolarHBondContact O-N 3.18Å; L710-T717 HydrophobicContact CB-CG2 3.89Å; L710-L763 HydrophobicContact CD1-CD1 4.49Å
711	G	97.1	Very high	96.4	Very high	38 Å²	38	50.1 Å²	50.1	39%	0.392	28%	0.278	S	S	.	.	H	α-helix	trans	-57.4	-42.5	171.8	0	0	0	0	0	112.2	W707 H708 K713 G714	W707-G711 PolarHBondContact O-N 2.97Å; H708-G711 PolarHBondContact O-N 2.77Å; G711-K713 PolarHBondContact O-N 2.87Å; G711-G714 PolarHBondContact O-N 2.94Å
712	S	96.4	Very high	96.6	Very high	76 Å²	76	52.8 Å²	52.8	53%	0.531	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-9.3	173.6	83.6	0	0	0	0	114.8	H708 F709 L710	H708-S712 WeakPolarHBondContact O-CB 3.42Å; H708-S712 PolarHBondContact O-N 3.32Å; F709-S712 PolarHBondContact O-N 2.81Å; F709-S712 PolarHBondContact O-OG 2.91Å; L710-S712 VanDerWaalsContact C-N 3.31Å; L710-S712 PolarHBondContact O-N 2.96Å
713	K	95.7	Very high	96.7	Very high	136 Å²	136	56.9 Å²	56.9	59%	0.591	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	10.1	172.2	-60.8	-56.5	-180	-166.1	0	113.5	F709 L710 G711 I715	F709-K713 PolarHBondContact O-N 2.88Å; L710-K713 CarbonylContact O-C 3.58Å; L710-K713 WeakPolarHBondContact O-CA 3.33Å; L710-K713 WeakPolarHBondContact O-CB 3.18Å; L710-K713 PolarHBondContact O-N 2.79Å; G711-K713 PolarHBondContact O-N 2.87Å; K713-I715 VanDerWaalsContact C-N 3.26Å; K713-I715 HydrophobicContact CB-CD1 4.2Å; K713-I715 HydrophobicContact CB-CG1 4.46Å; K713-I715 PolarHBondContact O-N 3.36Å
714	G	96.7	Very high	96.8	Very high	72 Å²	72	56.9 Å²	56.9	74%	0.742	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	17.5	-177.5	0	0	0	0	0	113.8	G711	G711-G714 PolarHBondContact O-N 2.94Å
715	I	97.4	Very high	97	Very high	29 Å²	29	53.7 Å²	53.7	15%	0.149	29%	0.294	C	S	.	.			trans	-87.3	123	177.2	-66.7	164.3	0	0	0	108.7	Y623 L710 K713 T717 I720 L767	Y623-I715 WeakPolarHBondContact OH-CD1 3.21Å; L710-I715 HydrophobicContact CB-CB 4.18Å; L710-I715 HydrophobicContact CB-CD1 4.36Å; L710-I715 HydrophobicContact CB-CG2 4.29Å; L710-I715 HydrophobicContact CD2-CD1 3.79Å; L710-I715 WeakPolarHBondContact O-CB 3.45Å; L710-I715 PolarHBondContact O-N 3.18Å; K713-I715 VanDerWaalsContact C-N 3.26Å; K713-I715 HydrophobicContact CB-CD1 4.2Å; K713-I715 HydrophobicContact CB-CG1 4.46Å; K713-I715 PolarHBondContact O-N 3.36Å; I715-T717 PolarHBondContact O-N 3.09Å; I715-I720 HydrophobicContact CG2-CD1 3.77Å; I715-L767 HydrophobicContact CB-CD1 4.43Å; I715-L767 HydrophobicContact CD1-CD1 3.92Å; I715-L767 HydrophobicContact CD1-CD2 4.41Å; I715-L767 HydrophobicContact CG1-CD1 3.97Å; I715-L767 HydrophobicContact CG2-CD1 3.62Å
716	N	96.1	Very high	97.2	Very high	98 Å²	98	54.4 Å²	54.4	52%	0.524	30%	0.297	S	S	.	.			trans	-66	104.8	169.2	-176.4	-58.2	0	0	0	109.4	D718 L719	N716-D718 PolarHBondContact OD1-N 2.75Å; N716-L719 WeakPolarHBondContact OD1-CB 3.1Å; N716-L719 PolarHBondContact OD1-N 3.42Å
717	T	97.4	Very high	97.3	Very high	22 Å²	22	54.7 Å²	54.7	14%	0.135	30%	0.298	C	S	.	.	S	Bend	trans	-73.3	-33	180	41.4	0	0	0	0	112.7	W707 L710 I715 L719 I720 W721	W707-T717 HydrophobicContact CB-CG2 4.12Å; W707-T717 HydrophobicContact CD2-CG2 4.46Å; W707-T717 HydrophobicContact CE3-CG2 3.95Å; W707-T717 WeakPolarHBondContact O-CG2 3.38Å; L710-T717 HydrophobicContact CB-CG2 3.89Å; I715-T717 PolarHBondContact O-N 3.09Å; T717-L719 PolarHBondContact O-N 3.36Å; T717-I720 CarbonylContact O-C 3.5Å; T717-I720 WeakPolarHBondContact O-CA 3.28Å; T717-I720 VanDerWaalsContact O-CB 3.31Å; T717-I720 WeakPolarHBondContact O-CB 3.48Å; T717-I720 PolarHBondContact O-N 2.81Å; T717-W721 PolarHBondContact O-N 3.11Å
718	D	96.9	Very high	97.4	Very high	104 Å²	104	53.1 Å²	53.1	56%	0.556	29%	0.292	S	S	*	.	H	α-helix	trans	-69.5	-38.7	-170.5	-43	-35.7	0	0	0	110.2	N716 I720 W721 E722	N716-D718 PolarHBondContact OD1-N 2.75Å; D718-I720 PolarHBondContact O-N 2.91Å; D718-W721 PolarHBondContact O-N 2.9Å; D718-W721 VanDerWaalsContact O-N 3.09Å; D718-E722 WeakPolarHBondContact O-CG 3.35Å; D718-E722 PolarHBondContact O-N 2.77Å
719	L	97.1	Very high	97.5	Very high	97 Å²	97	46.2 Å²	46.2	51%	0.508	26%	0.26	S	S	.	.	H	α-helix	trans	-63.9	-22.1	171.1	-177.6	61	0	0	0	113.2	N716 T717 K723	N716-L719 WeakPolarHBondContact OD1-CB 3.1Å; N716-L719 PolarHBondContact OD1-N 3.42Å; T717-L719 PolarHBondContact O-N 3.36Å; L719-K723 WeakPolarHBondContact O-CD 3.29Å; L719-K723 WeakPolarHBondContact O-CE 3.5Å; L719-K723 WeakPolarHBondContact O-CG 3.43Å
720	I	98.3	Very high	97.6	Very high	5 Å²	5	44.1 Å²	44.1	3%	0.026	25%	0.251	C	S	.	.	H	α-helix	trans	-82.7	-41.5	171.3	-55	172.5	0	0	0	109.5	W707 I715 T717 D718 K723 I724 L763 L767	W707-I720 HydrophobicContact CH2-CG2 4.36Å; W707-I720 HydrophobicContact CZ3-CG2 4.45Å; I715-I720 HydrophobicContact CG2-CD1 3.77Å; T717-I720 CarbonylContact O-C 3.5Å; T717-I720 WeakPolarHBondContact O-CA 3.28Å; T717-I720 VanDerWaalsContact O-CB 3.31Å; T717-I720 WeakPolarHBondContact O-CB 3.48Å; T717-I720 PolarHBondContact O-N 2.81Å; D718-I720 PolarHBondContact O-N 2.91Å; I720-K723 PolarHBondContact O-N 3.05Å; I720-I724 HydrophobicContact CG2-CD1 4.14Å; I720-I724 WeakPolarHBondContact O-CG1 3.37Å; I720-I724 PolarHBondContact O-N 3.49Å; I720-L763 HydrophobicContact CG2-CD1 4.38Å; I720-L763 HydrophobicContact CG2-CD2 3.73Å; I720-L767 HydrophobicContact CD1-CB 3.98Å; I720-L767 HydrophobicContact CD1-CD1 4.41Å; I720-L767 HydrophobicContact CD1-CD2 4.16Å; I720-L767 HydrophobicContact CD1-CG 4.43Å
721	W	98	Very high	97.7	Very high	32 Å²	32	44.2 Å²	44.2	12%	0.121	25%	0.252	C	S	.	.	H	α-helix	trans	-64.8	-44.2	178.9	-165.2	-129.5	0	0	0	112.4	I634 L648 L703 W707 T717 D718 K723 I724 K725	I634-W721 HydrophobicContact CD1-CZ3 4.37Å; I634-W721 HydrophobicContact CG1-CZ3 4.47Å; I634-W721 HydrophobicContact CG2-CH2 4.25Å; I634-W721 HydrophobicContact CG2-CZ3 4.46Å; L648-W721 HydrophobicContact CD2-CH2 3.69Å; L648-W721 HydrophobicContact CD2-CZ2 3.37Å; L648-W721 HydrophobicContact CD2-CZ3 4.39Å; L648-W721 HydrophobicContact CG-CH2 3.99Å; L648-W721 HydrophobicContact CG-CZ2 3.85Å; L703-W721 HydrophobicContact CD2-CH2 3.89Å; L703-W721 HydrophobicContact CD2-CZ3 3.78Å; W707-W721 AromaticContact CZ2-CE3 3.61Å; W707-W721 HydrophobicContact CZ2-CE3 3.61Å; W707-W721 AromaticContact CZ2-CZ3 3.94Å; W707-W721 HydrophobicContact CZ2-CZ3 3.94Å; T717-W721 PolarHBondContact O-N 3.11Å; D718-W721 PolarHBondContact O-N 2.9Å; D718-W721 VanDerWaalsContact O-N 3.09Å; W721-K723 VanDerWaalsContact C-N 3.31Å; W721-K723 PolarHBondContact O-N 3.48Å; W721-I724 HydrophobicContact CE3-CB 4.2Å; W721-I724 HydrophobicContact CE3-CD1 4.08Å; W721-I724 HydrophobicContact CE3-CG2 3.91Å; W721-I724 HydrophobicContact CZ3-CD1 4.46Å; W721-I724 HydrophobicContact CZ3-CG2 3.88Å; W721-I724 CarbonylContact O-C 3.57Å; W721-I724 WeakPolarHBondContact O-CA 3.07Å; W721-I724 VanDerWaalsContact O-CB 3.29Å; W721-I724 WeakPolarHBondContact O-CB 3.43Å; W721-I724 PolarHBondContact O-N 3.06Å; W721-K725 VanDerWaalsContact NE1-CE 3.31Å; W721-K725 WeakPolarHBondContact O-CG 3.43Å; W721-K725 PolarHBondContact O-N 3.25Å
722	E	97.8	Very high	97.8	Very high	73 Å²	73	42.4 Å²	42.4	34%	0.341	23%	0.233	S	C	.	.	H	α-helix	trans	-62.8	-35.7	174.3	-70.8	-52.6	124	0	0	112.7	D718 I724 K725 D726	D718-E722 WeakPolarHBondContact O-CG 3.35Å; D718-E722 PolarHBondContact O-N 2.77Å; E722-I724 VanDerWaalsContact C-N 3.31Å; E722-K725 PolarHBondContact O-N 3.29Å; E722-K725 WeakPolarHBondContact OE1-CD 3.29Å; E722-K725 VanDerWaalsContact OE1-CE 3.26Å; E722-K725 WeakPolarHBondContact OE1-CE 3.38Å; E722-K725 IonicContact OE1-NZ 2.75Å; E722-K725 PolarHBondContact OE1-NZ 3.11Å; E722-D726 WeakPolarHBondContact O-CB 3.39Å; E722-D726 PolarHBondContact O-N 2.83Å
723	K	98.1	Very high	97.9	Very high	89 Å²	89	38.9 Å²	38.9	39%	0.387	21%	0.208	S	C	.	.	H	α-helix	trans	-68.3	-32	171.7	-70.4	169	-167.8	162.7	0	111.9	L719 I720 W721 I727 P769	L719-K723 WeakPolarHBondContact O-CD 3.29Å; L719-K723 WeakPolarHBondContact O-CE 3.5Å; L719-K723 WeakPolarHBondContact O-CG 3.43Å; I720-K723 PolarHBondContact O-N 3.05Å; W721-K723 VanDerWaalsContact C-N 3.31Å; W721-K723 PolarHBondContact O-N 3.48Å; K723-I727 WeakPolarHBondContact O-CD1 3.43Å; K723-I727 WeakPolarHBondContact O-CG1 3.44Å; K723-I727 PolarHBondContact O-N 3.36Å; K723-I727 VanDerWaalsContact O-N 3.12Å; K723-P769 HydrophobicContact CB-CG 3.66Å
724	I	98.6	Very high	98	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-68.1	-44.1	172.7	-77.3	166.2	0	0	0	110.7	L632 I634 W707 I720 W721 E722 I727 V728 I761 P769	L632-I724 HydrophobicContact CD1-CD1 3.96Å; I634-I724 HydrophobicContact CD1-CD1 4.15Å; I634-I724 HydrophobicContact CD1-CG2 3.83Å; W707-I724 HydrophobicContact CH2-CD1 4.02Å; W707-I724 HydrophobicContact CZ2-CD1 4.3Å; I720-I724 HydrophobicContact CG2-CD1 4.14Å; I720-I724 WeakPolarHBondContact O-CG1 3.37Å; I720-I724 PolarHBondContact O-N 3.49Å; W721-I724 HydrophobicContact CE3-CB 4.2Å; W721-I724 HydrophobicContact CE3-CD1 4.08Å; W721-I724 HydrophobicContact CE3-CG2 3.91Å; W721-I724 HydrophobicContact CZ3-CD1 4.46Å; W721-I724 HydrophobicContact CZ3-CG2 3.88Å; W721-I724 CarbonylContact O-C 3.57Å; W721-I724 WeakPolarHBondContact O-CA 3.07Å; W721-I724 VanDerWaalsContact O-CB 3.29Å; W721-I724 WeakPolarHBondContact O-CB 3.43Å; W721-I724 PolarHBondContact O-N 3.06Å; E722-I724 VanDerWaalsContact C-N 3.31Å; I724-I727 WeakPolarHBondContact O-CB 3.47Å; I724-I727 PolarHBondContact O-N 2.86Å; I724-V728 WeakPolarHBondContact O-CG2 3.38Å; I724-V728 PolarHBondContact O-N 3.03Å; I724-I761 HydrophobicContact CG1-CD1 4.2Å; I724-I761 HydrophobicContact CG1-CG2 4.38Å; I724-I761 HydrophobicContact CG2-CD1 4.1Å; I724-P769 HydrophobicContact CG1-CB 3.91Å; I724-P769 HydrophobicContact CG1-CG 4.21Å
725	K	98.6	Very high	98	Very high	18 Å²	18	29.3 Å²	29.3	8%	0.078	15%	0.147	C	C	.	.	H	α-helix	trans	-58.8	-47.4	174.3	-64.7	178.4	-167.5	176	0	111.8	L648 W721 E722 I727 V728 I729 E889 I891	L648-K725 HydrophobicContact CD2-CG 3.79Å; W721-K725 VanDerWaalsContact NE1-CE 3.31Å; W721-K725 WeakPolarHBondContact O-CG 3.43Å; W721-K725 PolarHBondContact O-N 3.25Å; E722-K725 PolarHBondContact O-N 3.29Å; E722-K725 WeakPolarHBondContact OE1-CD 3.29Å; E722-K725 VanDerWaalsContact OE1-CE 3.26Å; E722-K725 WeakPolarHBondContact OE1-CE 3.38Å; E722-K725 IonicContact OE1-NZ 2.75Å; E722-K725 PolarHBondContact OE1-NZ 3.11Å; K725-I727 VanDerWaalsContact C-N 3.33Å; K725-I727 PolarHBondContact O-N 2.86Å; K725-V728 PolarHBondContact O-N 3.01Å; K725-V728 VanDerWaalsContact O-N 3.17Å; K725-I729 WeakPolarHBondContact O-CG1 3.36Å; K725-I729 PolarHBondContact O-N 3.49Å; K725-E889 VanDerWaalsContact CE-OE1 3.26Å; K725-E889 WeakPolarHBondContact CE-OE1 3.44Å; K725-E889 WeakPolarHBondContact CE-OE2 3.15Å; K725-E889 IonicContact NZ-OE1 2.94Å; K725-E889 PolarHBondContact NZ-OE1 3.33Å; K725-E889 IonicContact NZ-OE2 2.78Å; K725-E889 PolarHBondContact NZ-OE2 3.34Å; K725-I891 HydrophobicContact CB-CD1 4.46Å; K725-I891 HydrophobicContact CD-CG2 3.9Å; K725-I891 HydrophobicContact CG-CG2 3.98Å
726	D	98.6	Very high	98	Very high	24 Å²	24	27.9 Å²	27.9	13%	0.128	14%	0.14	C	C	.	.	H	α-helix	trans	-56.5	-44.9	176.3	-174.9	87	0	0	0	112.1	E722 K730 R899 Y900	E722-D726 WeakPolarHBondContact O-CB 3.39Å; E722-D726 PolarHBondContact O-N 2.83Å; D726-K730 VanDerWaalsContact O-CB 3.26Å; D726-K730 WeakPolarHBondContact O-CB 3.27Å; D726-K730 VanDerWaalsContact O-CG 3.28Å; D726-K730 WeakPolarHBondContact O-CG 3.49Å; D726-K730 PolarHBondContact O-N 3.13Å; D726-K730 WeakPolarHBondContact OD1-CE 3.39Å; D726-K730 IonicContact OD1-NZ 3.08Å; D726-K730 PolarHBondContact OD1-NZ 3.37Å; D726-K730 WeakPolarHBondContact OD2-CD 3.43Å; D726-K730 VanDerWaalsContact OD2-CE 3.26Å; D726-K730 WeakPolarHBondContact OD2-CE 3.39Å; D726-K730 IonicContact OD2-NZ 2.79Å; D726-K730 PolarHBondContact OD2-NZ 3.05Å; D726-R899 IonicContact OD1-CZ 3.79Å; D726-R899 IonicContact OD1-NE 2.85Å; D726-R899 IonicContact OD1-NH2 2.74Å; D726-R899 PolarHBondContact OD1-NH2 3.1Å; D726-Y900 WeakPolarHBondContact CA-OH 3.11Å; D726-Y900 VanDerWaalsContact OD1-CE1 3.32Å; D726-Y900 WeakPolarHBondContact OD1-CE1 3.29Å; D726-Y900 PolarHBondContact OD1-OH 3.05Å
727	I	98.7	Very high	97.9	Very high	6 Å²	6	23.6 Å²	23.6	3%	0.031	12%	0.118	C	C	.	.	H	α-helix	trans	-61.5	-46.7	174.6	-72.4	169.5	0	0	0	111.8	F558 K723 I724 K725 T731 I761 P769 I771	F558-I727 HydrophobicContact CB-CD1 3.74Å; F558-I727 HydrophobicContact CB-CG1 3.66Å; F558-I727 HydrophobicContact CD1-CG1 4Å; F558-I727 HydrophobicContact CD2-CB 4.42Å; F558-I727 HydrophobicContact CD2-CG1 4.01Å; F558-I727 HydrophobicContact CD2-CG2 3.92Å; F558-I727 HydrophobicContact CE2-CG2 4.18Å; F558-I727 HydrophobicContact CG-CB 4.49Å; F558-I727 HydrophobicContact CG-CD1 4.27Å; F558-I727 HydrophobicContact CG-CG1 3.65Å; F558-I727 HydrophobicContact CG-CG2 4.43Å; K723-I727 WeakPolarHBondContact O-CD1 3.43Å; K723-I727 WeakPolarHBondContact O-CG1 3.44Å; K723-I727 PolarHBondContact O-N 3.36Å; K723-I727 VanDerWaalsContact O-N 3.12Å; I724-I727 WeakPolarHBondContact O-CB 3.47Å; I724-I727 PolarHBondContact O-N 2.86Å; K725-I727 VanDerWaalsContact C-N 3.33Å; K725-I727 PolarHBondContact O-N 2.86Å; I727-T731 VanDerWaalsContact O-CB 3.26Å; I727-T731 WeakPolarHBondContact O-CB 3.39Å; I727-T731 PolarHBondContact O-N 3.49Å; I727-T731 PolarHBondContact O-OG1 2.95Å; I727-I761 HydrophobicContact CG2-CD1 4.26Å; I727-P769 HydrophobicContact CD1-CB 3.8Å; I727-P769 HydrophobicContact CD1-CG 3.7Å; I727-I771 HydrophobicContact CG2-CB 3.9Å; I727-I771 HydrophobicContact CG2-CD1 4.33Å; I727-I771 HydrophobicContact CG2-CG2 4.01Å
728	V	98.8	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-61.7	-53.1	-179.4	171.1	0	0	0	0	110.5	V636 I646 L648 I724 K725 K730 T731 I732 F759 I891	V636-V728 HydrophobicContact CB-CG1 4.29Å; V636-V728 HydrophobicContact CG1-CG1 3.61Å; V636-V728 HydrophobicContact CG2-CB 4.49Å; V636-V728 HydrophobicContact CG2-CG1 3.64Å; V636-V728 HydrophobicContact CG2-CG2 3.92Å; I646-V728 HydrophobicContact CG2-CG1 4.14Å; L648-V728 HydrophobicContact CD1-CG2 4.44Å; I724-V728 WeakPolarHBondContact O-CG2 3.38Å; I724-V728 PolarHBondContact O-N 3.03Å; K725-V728 PolarHBondContact O-N 3.01Å; K725-V728 VanDerWaalsContact O-N 3.17Å; V728-K730 PolarHBondContact O-N 2.93Å; V728-T731 PolarHBondContact O-N 2.92Å; V728-T731 VanDerWaalsContact O-N 3.16Å; V728-I732 HydrophobicContact CG1-CG1 4.49Å; V728-I732 WeakPolarHBondContact O-CG1 3.32Å; V728-I732 PolarHBondContact O-N 3.1Å; V728-F759 HydrophobicContact CB-CE1 4.27Å; V728-F759 HydrophobicContact CG1-CE1 4.3Å; V728-F759 HydrophobicContact CG1-CZ 4.17Å; V728-F759 HydrophobicContact CG2-CD1 3.83Å; V728-F759 HydrophobicContact CG2-CE1 3.97Å; V728-F759 HydrophobicContact CG2-CG 4.34Å; V728-I891 HydrophobicContact CB-CD1 4.04Å; V728-I891 HydrophobicContact CG1-CD1 3.75Å
729	I	98.8	Very high	97.8	Very high	3 Å²	3	20 Å²	20	2%	0.015	9%	0.094	C	C	.	.	H	α-helix	trans	-60.3	-49.6	-177.2	-63.1	164.7	0	0	0	110.6	I646 K725 T731 I732 I733 I891 F892 Y900	I646-I729 HydrophobicContact CD1-CB 4.47Å; I646-I729 HydrophobicContact CD1-CG1 4.33Å; I646-I729 HydrophobicContact CD1-CG2 4.37Å; K725-I729 WeakPolarHBondContact O-CG1 3.36Å; K725-I729 PolarHBondContact O-N 3.49Å; I729-T731 VanDerWaalsContact C-N 3.27Å; I729-T731 PolarHBondContact O-N 2.74Å; I729-I732 PolarHBondContact O-N 3.03Å; I729-I733 HydrophobicContact CG2-CD1 3.69Å; I729-I733 HydrophobicContact CG2-CG1 4.44Å; I729-I733 WeakPolarHBondContact O-CG1 3.49Å; I729-I733 PolarHBondContact O-N 2.82Å; I729-I891 HydrophobicContact CD1-CB 4.13Å; I729-I891 HydrophobicContact CD1-CD1 4.13Å; I729-I891 HydrophobicContact CD1-CG1 4.06Å; I729-I891 WeakPolarHBondContact CD1-O 3.3Å; I729-I891 HydrophobicContact CG1-CD1 3.68Å; I729-I891 HydrophobicContact CG1-CG1 3.89Å; I729-F892 HydrophobicContact CD1-CB 4.29Å; I729-F892 HydrophobicContact CG1-CB 4.19Å; I729-F892 HydrophobicContact CG2-CB 4.36Å; I729-F892 HydrophobicContact CG2-CD2 3.95Å; I729-F892 HydrophobicContact CG2-CG 4.4Å; I729-Y900 HydrophobicContact CB-CD1 4.43Å; I729-Y900 HydrophobicContact CB-CE1 4.3Å; I729-Y900 HydrophobicContact CB-CE2 4.41Å; I729-Y900 HydrophobicContact CD1-CD2 4.1Å; I729-Y900 HydrophobicContact CD1-CE2 3.49Å; I729-Y900 VanDerWaalsContact CD1-CE2 3.49Å; I729-Y900 HydrophobicContact CG2-CD1 3.83Å; I729-Y900 HydrophobicContact CG2-CD2 3.71Å; I729-Y900 HydrophobicContact CG2-CE1 4.17Å; I729-Y900 HydrophobicContact CG2-CE2 4.08Å; I729-Y900 HydrophobicContact CG2-CG 3.61Å
730	K	98.7	Very high	97.6	Very high	5 Å²	5	15.6 Å²	15.6	2%	0.022	7%	0.071	C	C	.	.	H	α-helix	trans	-62.4	-32.1	178	-73.9	176.4	178.1	168.8	0	113.1	E555 F556 F558 D726 V728 A734 Y900 F903	E555-K730 WeakPolarHBondContact O-CD 3.21Å; E555-K730 PolarHBondContact O-NZ 3.42Å; E555-K730 WeakPolarHBondContact OE2-CE 3.26Å; E555-K730 IonicContact OE2-NZ 2.7Å; E555-K730 PolarHBondContact OE2-NZ 2.78Å; F556-K730 HydrophobicContact CE1-CB 3.72Å; F556-K730 HydrophobicContact CE1-CD 4.36Å; F556-K730 HydrophobicContact CE1-CG 4.25Å; F556-K730 HydrophobicContact CZ-CB 4.04Å; F556-K730 HydrophobicContact CZ-CD 4.21Å; F556-K730 HydrophobicContact CZ-CG 4.08Å; F558-K730 HydrophobicContact CE1-CB 3.99Å; F558-K730 HydrophobicContact CE1-CD 3.81Å; F558-K730 HydrophobicContact CZ-CB 3.82Å; F558-K730 HydrophobicContact CZ-CD 4.49Å; D726-K730 VanDerWaalsContact O-CB 3.26Å; D726-K730 WeakPolarHBondContact O-CB 3.27Å; D726-K730 VanDerWaalsContact O-CG 3.28Å; D726-K730 WeakPolarHBondContact O-CG 3.49Å; D726-K730 PolarHBondContact O-N 3.13Å; D726-K730 WeakPolarHBondContact OD1-CE 3.39Å; D726-K730 IonicContact OD1-NZ 3.08Å; D726-K730 PolarHBondContact OD1-NZ 3.37Å; D726-K730 WeakPolarHBondContact OD2-CD 3.43Å; D726-K730 VanDerWaalsContact OD2-CE 3.26Å; D726-K730 WeakPolarHBondContact OD2-CE 3.39Å; D726-K730 IonicContact OD2-NZ 2.79Å; D726-K730 PolarHBondContact OD2-NZ 3.05Å; V728-K730 PolarHBondContact O-N 2.93Å; K730-A734 WeakPolarHBondContact O-CB 3.4Å; K730-A734 PolarHBondContact O-N 2.93Å; K730-A734 VanDerWaalsContact O-N 3.12Å; K730-Y900 HydrophobicContact CG-CD1 4.08Å; K730-Y900 HydrophobicContact CG-CE1 4.1Å; K730-F903 HydrophobicContact CD-CE2 4.33Å; K730-F903 HydrophobicContact CG-CD2 4.24Å; K730-F903 HydrophobicContact CG-CE2 4.14Å
731	T	98.7	Very high	97.5	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	8%	0.082	C	C	.	.	H	α-helix	trans	-72.2	-42.5	176.7	-57.5	0	0	0	0	111.8	I534 L540 L544 I727 V728 I729 A734 S735 F759 I771 V774	I534-T731 HydrophobicContact CD1-CG2 3.91Å; I534-T731 HydrophobicContact CG1-CG2 4.25Å; L540-T731 HydrophobicContact CD1-CG2 3.68Å; L544-T731 HydrophobicContact CD2-CG2 4.48Å; I727-T731 VanDerWaalsContact O-CB 3.26Å; I727-T731 WeakPolarHBondContact O-CB 3.39Å; I727-T731 PolarHBondContact O-N 3.49Å; I727-T731 PolarHBondContact O-OG1 2.95Å; V728-T731 PolarHBondContact O-N 2.92Å; V728-T731 VanDerWaalsContact O-N 3.16Å; I729-T731 VanDerWaalsContact C-N 3.27Å; I729-T731 PolarHBondContact O-N 2.74Å; T731-A734 WeakPolarHBondContact O-CB 3.2Å; T731-A734 PolarHBondContact O-N 3.49Å; T731-S735 PolarHBondContact O-OG 2.85Å; T731-F759 HydrophobicContact CG2-CE1 4.04Å; T731-F759 HydrophobicContact CG2-CZ 4.29Å; T731-I771 HydrophobicContact CG2-CD1 4.07Å; T731-V774 HydrophobicContact CG2-CG2 4.29Å
732	I	98.6	Very high	97.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65	-44.5	176.6	-63.1	-71.4	0	0	0	110.7	I534 V638 Y641 L644 I646 V728 I729 A734 S735 E736 F757 F759	I534-I732 HydrophobicContact CD1-CD1 3.6Å; I534-I732 HydrophobicContact CD1-CG1 4.5Å; V638-I732 HydrophobicContact CG2-CD1 4.07Å; Y641-I732 HydrophobicContact CE1-CG2 3.78Å; L644-I732 HydrophobicContact CD1-CG2 3.84Å; L644-I732 HydrophobicContact CD2-CG2 4.3Å; I646-I732 HydrophobicContact CD1-CB 3.73Å; I646-I732 HydrophobicContact CD1-CG1 4.06Å; I646-I732 HydrophobicContact CD1-CG2 3.72Å; I646-I732 HydrophobicContact CG1-CG2 4.18Å; V728-I732 HydrophobicContact CG1-CG1 4.49Å; V728-I732 WeakPolarHBondContact O-CG1 3.32Å; V728-I732 PolarHBondContact O-N 3.1Å; I729-I732 PolarHBondContact O-N 3.03Å; I732-A734 VanDerWaalsContact C-N 3.29Å; I732-A734 PolarHBondContact O-N 3.34Å; I732-S735 PolarHBondContact O-N 3.24Å; I732-S735 PolarHBondContact O-OG 3.01Å; I732-E736 PolarHBondContact O-N 2.9Å; I732-F757 HydrophobicContact CD1-CD2 4.31Å; I732-F757 HydrophobicContact CD1-CE2 4.3Å; I732-F759 HydrophobicContact CD1-CE2 4.32Å; I732-F759 HydrophobicContact CD1-CZ 4.07Å; I732-F759 HydrophobicContact CG1-CZ 4.25Å
733	I	98.4	Very high	97.2	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.01	7%	0.068	C	C	.	.	H	α-helix	trans	-61.8	-35.7	176.8	-65.5	170.3	0	0	0	111.5	M547 L644 I729 S735 E736 F903 F904	M547-I733 HydrophobicContact CE-CG2 4.26Å; L644-I733 HydrophobicContact CD2-CG1 3.83Å; I729-I733 HydrophobicContact CG2-CD1 3.69Å; I729-I733 HydrophobicContact CG2-CG1 4.44Å; I729-I733 WeakPolarHBondContact O-CG1 3.49Å; I729-I733 PolarHBondContact O-N 2.82Å; I733-S735 PolarHBondContact O-N 3.2Å; I733-E736 WeakPolarHBondContact O-CB 3.43Å; I733-E736 PolarHBondContact O-N 2.97Å; I733-E736 VanDerWaalsContact O-N 3.16Å; I733-F903 HydrophobicContact CG2-CB 3.99Å; I733-F904 HydrophobicContact CD1-CD2 4.32Å; I733-F904 HydrophobicContact CD1-CE2 3.65Å; I733-F904 HydrophobicContact CD1-CZ 4.04Å; I733-F904 HydrophobicContact CG1-CE1 4.47Å; I733-F904 HydrophobicContact CG1-CE2 3.98Å; I733-F904 HydrophobicContact CG1-CZ 3.9Å; I733-F904 HydrophobicContact CG2-CD1 4.46Å; I733-F904 HydrophobicContact CG2-CD2 4.16Å; I733-F904 HydrophobicContact CG2-CE2 4.33Å; I733-F904 HydrophobicContact CG2-CG 4.25Å
734	A	98	Very high	96.9	Very high	5 Å²	5	14.7 Å²	14.7	4%	0.041	7%	0.071	C	C	.	.	H	α-helix	trans	-62.1	-23.6	175.6	0	0	0	0	0	113.8	N543 L544 M547 K730 T731 I732	N543-A734 HydrophobicContact CB-CB 4.41Å; L544-A734 HydrophobicContact CD2-CB 3.98Å; M547-A734 HydrophobicContact CG-CB 3.67Å; K730-A734 WeakPolarHBondContact O-CB 3.4Å; K730-A734 PolarHBondContact O-N 2.93Å; K730-A734 VanDerWaalsContact O-N 3.12Å; T731-A734 WeakPolarHBondContact O-CB 3.2Å; T731-A734 PolarHBondContact O-N 3.49Å; I732-A734 VanDerWaalsContact C-N 3.29Å; I732-A734 PolarHBondContact O-N 3.34Å
735	S	96.8	Very high	96.7	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.014	9%	0.093	C	C	.	.	H	α-helix	trans	-98.8	-15.6	173.6	44.8	0	0	0	0	114.7	T731 I732 I733 Y738 V739	T731-S735 PolarHBondContact O-OG 2.85Å; I732-S735 PolarHBondContact O-N 3.24Å; I732-S735 PolarHBondContact O-OG 3.01Å; I733-S735 PolarHBondContact O-N 3.2Å; S735-Y738 PolarHBondContact O-N 2.8Å; S735-V739 PolarHBondContact O-N 3.08Å
736	E	96.3	Very high	96.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-49.6	-50.5	-173.8	-174.9	-89.5	173.1	0	0	115	Y641 I732 I733 Y738 V739 N740 F904 R908	Y641-E736 HydrophobicContact CD1-CB 4.19Å; Y641-E736 HydrophobicContact CD1-CG 3.9Å; Y641-E736 HydrophobicContact CE1-CB 4.34Å; I732-E736 PolarHBondContact O-N 2.9Å; I733-E736 WeakPolarHBondContact O-CB 3.43Å; I733-E736 PolarHBondContact O-N 2.97Å; I733-E736 VanDerWaalsContact O-N 3.16Å; E736-Y738 VanDerWaalsContact C-N 3.3Å; E736-Y738 PolarHBondContact O-N 3.24Å; E736-V739 PolarHBondContact O-N 3.07Å; E736-N740 WeakPolarHBondContact O-CB 3.17Å; E736-N740 PolarHBondContact O-N 3.33Å; E736-N740 PolarHBondContact OE1-ND2 2.86Å; E736-F904 HydrophobicContact CG-CD1 4.29Å; E736-F904 HydrophobicContact CG-CE1 3.96Å; E736-R908 VanDerWaalsContact CD-NH2 3.33Å; E736-R908 IonicContact OE1-CZ 3.76Å; E736-R908 IonicContact OE1-NE 3.14Å; E736-R908 PolarHBondContact OE1-NE 2.65Å; E736-R908 IonicContact OE1-NH2 3.09Å; E736-R908 PolarHBondContact OE1-NH2 2.79Å; E736-R908 VanDerWaalsContact OE1-NH2 3.08Å; E736-R908 IonicContact OE2-CZ 2.7Å; E736-R908 IonicContact OE2-NE 3.59Å; E736-R908 IonicContact OE2-NH2 2.71Å; E736-R908 PolarHBondContact OE2-NH2 2.99Å
737	P	95.7	Very high	96.3	Very high	8 Å²	8	19.3 Å²	19.3	5%	0.052	10%	0.095	C	C	.	.	H	α-helix	trans	-61.6	-40.3	-172.2	19.7	-31.8	0	0	0	112	T741 E905	P737-T741 WeakPolarHBondContact O-CB 3.38Å; P737-T741 PolarHBondContact O-N 2.81Å; P737-T741 PolarHBondContact O-OG1 3.38Å; P737-T741 VanDerWaalsContact O-OG1 3.05Å; P737-E905 HydrophobicContact CG-CB 4.47Å
738	Y	95.4	Very high	95.8	Very high	51 Å²	51	23.9 Å²	23.9	20%	0.2	12%	0.115	C	C	.	.	H	α-helix	trans	-67.4	-40.6	179	-50.7	-78.5	0	0	0	112.6	M379 Q533 N543 S735 E736 L742	M379-Y738 HydrophobicContact CE-CE1 4.25Å; Q533-Y738 HydrophobicContact CG-CG 4.22Å; N543-Y738 VanDerWaalsContact OD1-CE2 3.25Å; N543-Y738 WeakPolarHBondContact OD1-CE2 3.24Å; S735-Y738 PolarHBondContact O-N 2.8Å; E736-Y738 VanDerWaalsContact C-N 3.3Å; E736-Y738 PolarHBondContact O-N 3.24Å; Y738-L742 WeakPolarHBondContact O-CB 3.36Å; Y738-L742 WeakPolarHBondContact O-CG 3.37Å; Y738-L742 PolarHBondContact O-N 2.69Å; Y738-L742 VanDerWaalsContact O-N 3.13Å
739	V	95.7	Very high	95.2	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-73.8	-40.9	179.9	178.5	0	0	0	0	110.9	F528 Y641 S735 E736 L742 L743	F528-V739 HydrophobicContact CB-CG1 3.92Å; F528-V739 HydrophobicContact CG-CG1 4.41Å; Y641-V739 HydrophobicContact CD1-CB 4.42Å; Y641-V739 HydrophobicContact CD1-CG1 4.33Å; Y641-V739 HydrophobicContact CD2-CG1 3.61Å; Y641-V739 HydrophobicContact CE1-CB 4.28Å; Y641-V739 HydrophobicContact CE1-CG1 4.31Å; Y641-V739 HydrophobicContact CE2-CB 4.4Å; Y641-V739 HydrophobicContact CE2-CG1 3.6Å; Y641-V739 HydrophobicContact CG-CG1 3.99Å; S735-V739 PolarHBondContact O-N 3.08Å; E736-V739 PolarHBondContact O-N 3.07Å; V739-L742 PolarHBondContact O-N 3.38Å; V739-L743 HydrophobicContact CG1-CD1 4.03Å; V739-L743 HydrophobicContact CG1-CG 4.48Å; V739-L743 VanDerWaalsContact O-CB 3.3Å; V739-L743 WeakPolarHBondContact O-CB 3.47Å; V739-L743 WeakPolarHBondContact O-CG 3.3Å; V739-L743 PolarHBondContact O-N 3.49Å
740	N	93.9	Very high	94.5	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	14%	0.136	C	C	.	.	H	α-helix	trans	-62.5	-45.3	176.9	-171.5	-69.8	0	0	0	111.4	E736 L743 K744	E736-N740 WeakPolarHBondContact O-CB 3.17Å; E736-N740 PolarHBondContact O-N 3.33Å; E736-N740 PolarHBondContact OE1-ND2 2.86Å; N740-L743 WeakPolarHBondContact O-CB 3.22Å; N740-L743 PolarHBondContact O-N 3.16Å; N740-K744 WeakPolarHBondContact O-CG 3.35Å; N740-K744 PolarHBondContact O-N 3.31Å; N740-K744 WeakPolarHBondContact OD1-CD 3.43Å; N740-K744 VanDerWaalsContact OD1-CE 3.23Å; N740-K744 WeakPolarHBondContact OD1-CE 3.27Å; N740-K744 PolarHBondContact OD1-NZ 3.5Å
741	T	94.9	Very high	93.9	Very high	41 Å²	41	30.9 Å²	30.9	25%	0.252	15%	0.153	S	C	.	.	H	α-helix	trans	-62	-46	174	-66.1	0	0	0	0	112	P737 L743 K744 M745	P737-T741 WeakPolarHBondContact O-CB 3.38Å; P737-T741 PolarHBondContact O-N 2.81Å; P737-T741 PolarHBondContact O-OG1 3.38Å; P737-T741 VanDerWaalsContact O-OG1 3.05Å; T741-L743 PolarHBondContact O-N 3.33Å; T741-K744 PolarHBondContact O-N 3.3Å; T741-M745 HydrophobicContact CG2-CE 3.83Å; T741-M745 HydrophobicContact CG2-SD 4.44Å; T741-M745 WeakPolarHBondContact O-CG 3.49Å; T741-M745 PolarHBondContact O-N 2.98Å
742	L	95.6	Very high	93.6	Very high	19 Å²	19	31 Å²	31	10%	0.099	15%	0.153	C	C	.	.	H	α-helix	trans	-68.2	-33.5	178.9	-74	168.5	0	0	0	112.8	P529 Y738 V739 M745 H746	P529-L742 HydrophobicContact CB-CB 4.19Å; P529-L742 HydrophobicContact CG-CB 4.4Å; Y738-L742 WeakPolarHBondContact O-CB 3.36Å; Y738-L742 WeakPolarHBondContact O-CG 3.37Å; Y738-L742 PolarHBondContact O-N 2.69Å; Y738-L742 VanDerWaalsContact O-N 3.13Å; V739-L742 PolarHBondContact O-N 3.38Å; L742-M745 HydrophobicContact CD2-CE 3.87Å; L742-H746 WeakPolarHBondContact O-CB 3.49Å; L742-H746 PolarHBondContact O-N 2.76Å; L742-H746 PolarHBondContact O-ND1 2.97Å
743	L	93.9	Very high	93.5	Very high	13 Å²	13	31 Å²	31	7%	0.068	15%	0.153	C	C	.	.	H	α-helix	trans	-58.4	-55.4	170.4	-88.5	166.1	0	0	0	111.3	F528 P529 Y641 V739 N740 T741 M745 H746 V747 C753	F528-L743 HydrophobicContact CD1-CD1 3.98Å; F528-L743 HydrophobicContact CD1-CD2 4.11Å; F528-L743 HydrophobicContact CD1-CG 4.43Å; F528-L743 HydrophobicContact CE1-CD1 4.42Å; P529-L743 HydrophobicContact CG-CB 4.44Å; P529-L743 HydrophobicContact CG-CD2 3.89Å; P529-L743 HydrophobicContact CG-CG 3.87Å; Y641-L743 HydrophobicContact CD2-CD1 4.26Å; Y641-L743 HydrophobicContact CG-CD1 4.38Å; V739-L743 HydrophobicContact CG1-CD1 4.03Å; V739-L743 HydrophobicContact CG1-CG 4.48Å; V739-L743 VanDerWaalsContact O-CB 3.3Å; V739-L743 WeakPolarHBondContact O-CB 3.47Å; V739-L743 WeakPolarHBondContact O-CG 3.3Å; V739-L743 PolarHBondContact O-N 3.49Å; N740-L743 WeakPolarHBondContact O-CB 3.22Å; N740-L743 PolarHBondContact O-N 3.16Å; T741-L743 PolarHBondContact O-N 3.33Å; L743-M745 PolarHBondContact O-N 3.49Å; L743-H746 PolarHBondContact O-N 2.73Å; L743-H746 VanDerWaalsContact O-N 3.1Å; L743-V747 HydrophobicContact CD2-CB 3.94Å; L743-V747 HydrophobicContact CD2-CG1 4.25Å; L743-V747 HydrophobicContact CD2-CG2 3.81Å; L743-V747 PolarHBondContact O-N 2.84Å; L743-C753 HydrophobicContact CD2-CB 4.35Å
744	K	92.4	Very high	93.4	Very high	106 Å²	106	31.2 Å²	31.2	46%	0.461	16%	0.155	S	C	.	.	H	α-helix	trans	-58.7	-31.4	-178	-76.7	171	175.1	161.3	0	114	E642 N740 T741	E642-K744 VanDerWaalsContact CD-CE 3.45Å; E642-K744 VanDerWaalsContact OE1-CE 3.29Å; E642-K744 WeakPolarHBondContact OE1-CE 3.27Å; E642-K744 IonicContact OE1-NZ 2.99Å; E642-K744 PolarHBondContact OE1-NZ 3.1Å; E642-K744 WeakPolarHBondContact OE2-CE 3.3Å; E642-K744 IonicContact OE2-NZ 3.98Å; E642-K744 PolarHBondContact OE2-NZ 3.44Å; N740-K744 WeakPolarHBondContact O-CG 3.35Å; N740-K744 PolarHBondContact O-N 3.31Å; N740-K744 WeakPolarHBondContact OD1-CD 3.43Å; N740-K744 VanDerWaalsContact OD1-CE 3.23Å; N740-K744 WeakPolarHBondContact OD1-CE 3.27Å; N740-K744 PolarHBondContact OD1-NZ 3.5Å; T741-K744 PolarHBondContact O-N 3.3Å
745	M	94.3	Very high	93.4	Very high	94 Å²	94	31 Å²	31	46%	0.463	15%	0.153	S	C	.	.	H	α-helix	trans	-85.2	-18.9	179.1	-66.4	-171.2	-57	0	0	114.6	K517 T741 L742 L743	K517-M745 WeakPolarHBondContact CE-O 3.37Å; K517-M745 PolarHBondContact NZ-O 2.7Å; T741-M745 HydrophobicContact CG2-CE 3.83Å; T741-M745 HydrophobicContact CG2-SD 4.44Å; T741-M745 WeakPolarHBondContact O-CG 3.49Å; T741-M745 PolarHBondContact O-N 2.98Å; L742-M745 HydrophobicContact CD2-CE 3.87Å; L743-M745 PolarHBondContact O-N 3.49Å
746	H	94.9	Very high	93.5	Very high	26 Å²	26	31.2 Å²	31.2	12%	0.12	15%	0.154	C	C	.	.	H	α-helix	trans	-131.2	-17.5	-167.2	-59.4	104.9	0	0	0	116.3	S513 F516 K517 L742 L743	S513-H746 VanDerWaalsContact O-CB 3.29Å; S513-H746 WeakPolarHBondContact O-CB 3.49Å; S513-H746 PolarHBondContact O-CD2 2.58Å; S513-H746 VanDerWaalsContact O-CG 3.31Å; F516-H746 CarbonylContact C-O 3.59Å; F516-H746 HydrophobicContact CB-CB 4.18Å; K517-H746 VanDerWaalsContact CA-O 3.28Å; K517-H746 WeakPolarHBondContact CA-O 3.36Å; K517-H746 HydrophobicContact CG-CB 4.39Å; K517-H746 VanDerWaalsContact CG-O 3.26Å; K517-H746 WeakPolarHBondContact CG-O 3.38Å; K517-H746 PolarHBondContact N-O 3.25Å; L742-H746 WeakPolarHBondContact O-CB 3.49Å; L742-H746 PolarHBondContact O-N 2.76Å; L742-H746 PolarHBondContact O-ND1 2.97Å; L743-H746 PolarHBondContact O-N 2.73Å; L743-H746 VanDerWaalsContact O-N 3.1Å
747	V	92.7	Very high	93.6	Very high	20 Å²	20	31.2 Å²	31.2	12%	0.121	15%	0.154	C	C	.	.			trans	-113.1	130.9	-178.9	170.6	0	0	0	0	109.4	F516 P529 L743 T749	F516-V747 HydrophobicContact CB-CG2 3.75Å; F516-V747 HydrophobicContact CD1-CG2 3.87Å; F516-V747 HydrophobicContact CG-CG2 4.15Å; P529-V747 HydrophobicContact CG-CG2 4.17Å; L743-V747 HydrophobicContact CD2-CB 3.94Å; L743-V747 HydrophobicContact CD2-CG1 4.25Å; L743-V747 HydrophobicContact CD2-CG2 3.81Å; L743-V747 PolarHBondContact O-N 2.84Å; V747-T749 WeakPolarHBondContact CG1-O 3.42Å
748	K	89.2	Confident	93.7	Very high	102 Å²	102	30.8 Å²	30.8	44%	0.443	15%	0.151	S	C	.	.	S	Bend	trans	-69	-44.4	179.1	-62.5	173.2	-171.8	149.5	0	111.7	K517 I519	K517-K748 VanDerWaalsContact O-CE 3.26Å; K517-K748 WeakPolarHBondContact O-CE 3.45Å; K517-K748 PolarHBondContact O-NZ 2.86Å; I519-K748 PolarHBondContact O-NZ 3.37Å
749	T	87.2	Confident	93.9	Very high	26 Å²	26	28.4 Å²	28.4	16%	0.16	14%	0.142	C	C	.	.	S	Bend	trans	-132.3	111.6	-171.8	35.2	0	0	0	0	109.1	E521 V747 H751 S752	E521-T749 HydrophobicContact CB-CG2 4.06Å; E521-T749 HydrophobicContact CG-CG2 3.84Å; V747-T749 WeakPolarHBondContact CG1-O 3.42Å; T749-H751 PolarHBondContact O-N 2.81Å; T749-H751 VanDerWaalsContact O-N 3.1Å; T749-S752 VanDerWaalsContact O-CB 3.25Å; T749-S752 WeakPolarHBondContact O-CB 3.35Å; T749-S752 PolarHBondContact O-N 3.25Å; T749-S752 PolarHBondContact O-OG 2.94Å; T749-S752 PolarHBondContact OG1-OG 2.84Å
750	P	83.8	Confident	94	Very high	46 Å²	46	28.5 Å²	28.5	30%	0.299	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-52.2	-37.3	-175.5	-30.4	36.8	0	0	0	113.9	S752 C753	P750-S752 PolarHBondContact O-N 3.44Å; P750-C753 PolarHBondContact O-N 3.09Å; P750-C753 VanDerWaalsContact O-N 3.09Å
751	H	85.3	Confident	94.2	Very high	83 Å²	83	28.3 Å²	28.3	38%	0.384	14%	0.141	S	C	.	.	G	3₁₀ helix	trans	-58.8	-12.4	176.5	-51.7	70	0	0	0	115.3	K524 T749 C753 E877	K524-H751 PolarHBondContact NZ-O 3.47Å; T749-H751 PolarHBondContact O-N 2.81Å; T749-H751 VanDerWaalsContact O-N 3.1Å; H751-C753 VanDerWaalsContact C-N 3.3Å; H751-E877 IonicContact CD2-OE2 2.7Å; H751-E877 IonicContact CE1-OE2 3.8Å; H751-E877 IonicContact NE2-OE2 3.11Å; H751-E877 PolarHBondContact NE2-OE2 3.03Å
752	S	92.8	Very high	94.4	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.014	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-77.1	-13	175.2	-65.3	0	0	0	0	113.7	G520 Q523 K524 L525 T749 P750	G520-S752 PolarHBondContact O-OG 3.29Å; Q523-S752 VanDerWaalsContact O-CA 3.28Å; Q523-S752 WeakPolarHBondContact O-CA 3.39Å; Q523-S752 WeakPolarHBondContact O-CB 3.2Å; Q523-S752 PolarHBondContact O-OG 3.23Å; Q523-S752 VanDerWaalsContact O-OG 3.06Å; K524-S752 WeakPolarHBondContact CA-O 3.17Å; L525-S752 PolarHBondContact N-O 3Å; T749-S752 VanDerWaalsContact O-CB 3.25Å; T749-S752 WeakPolarHBondContact O-CB 3.35Å; T749-S752 PolarHBondContact O-N 3.25Å; T749-S752 PolarHBondContact O-OG 2.94Å; T749-S752 PolarHBondContact OG1-OG 2.84Å; P750-S752 PolarHBondContact O-N 3.44Å
753	C	95.8	Very high	94.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-118.3	138.5	178.4	-59.8	0	0	0	0	110.6	H527 F528 L743 P750 H751	H527-C753 WeakPolarHBondContact O-CB 3.3Å; F528-C753 HydrophobicContact CD1-CB 3.4Å; F528-C753 HydrophobicContact CE1-CB 3.61Å; F528-C753 VanDerWaalsContact CE1-O 3.26Å; F528-C753 WeakPolarHBondContact CE1-O 3.42Å; F528-C753 HydrophobicContact CG-CB 4.27Å; L743-C753 HydrophobicContact CD2-CB 4.35Å; P750-C753 PolarHBondContact O-N 3.09Å; P750-C753 VanDerWaalsContact O-N 3.09Å; H751-C753 VanDerWaalsContact C-N 3.3Å
754	H	97	Very high	94.7	Very high	7 Å²	7	26.1 Å²	26.1	3%	0.032	13%	0.128	C	C	.	.			trans	-157	145.4	178.6	63.7	117.7	0	0	0	107.9	L525 N526 H527 Y637 V638	L525-H754 PolarHBondContact O-CD2 3.12Å; L525-H754 PolarHBondContact O-N 2.85Å; N526-H754 CarbonylContact C-O 3.56Å; N526-H754 WeakPolarHBondContact CA-O 3.32Å; N526-H754 VanDerWaalsContact O-O 3.13Å; H527-H754 PolarHBondContact N-O 3.21Å; Y637-H754 HydrophobicContact CE2-CB 3.96Å; Y637-H754 AromaticContact CE2-ND1 3.62Å; Y637-H754 AromaticContact CZ-ND1 3.66Å; Y637-H754 WeakPolarHBondContact OH-CB 3.39Å; Y637-H754 PolarHBondContact OH-ND1 3.41Å; V638-H754 WeakPolarHBondContact O-CA 3.24Å
755	E	97.8	Very high	94.9	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	138.4	-170.6	-169.3	161.2	-165.4	0	0	115.1	H510 H527 F528 T531 Y637 V638 F757	H510-E755 IonicContact CE1-OE1 2.64Å; H527-E755 IonicContact CE1-OE1 2.64Å; H527-E755 IonicContact CG-OE1 2.69Å; H527-E755 IonicContact ND1-OE1 2.68Å; H527-E755 PolarHBondContact ND1-OE1 2.81Å; F528-E755 HydrophobicContact CD2-CB 3.41Å; F528-E755 VanDerWaalsContact CD2-CB 3.41Å; F528-E755 HydrophobicContact CD2-CG 4.48Å; F528-E755 WeakPolarHBondContact CD2-OE2 3.47Å; F528-E755 HydrophobicContact CE2-CB 3.6Å; F528-E755 PolarHBondContact N-OE2 2.86Å; T531-E755 WeakPolarHBondContact CB-OE1 2.89Å; T531-E755 VanDerWaalsContact CB-OE2 3.22Å; T531-E755 WeakPolarHBondContact CB-OE2 3.48Å; T531-E755 PolarHBondContact OG1-OE1 3.15Å; T531-E755 PolarHBondContact OG1-OE2 2.83Å; Y637-E755 WeakPolarHBondContact CA-O 3.15Å; Y637-E755 VanDerWaalsContact CD2-O 3.29Å; Y637-E755 WeakPolarHBondContact CD2-O 3.44Å; V638-E755 PolarHBondContact N-O 3.16Å; V638-E755 PolarHBondContact O-N 2.83Å; E755-F757 HydrophobicContact CB-CE2 3.91Å; E755-F757 HydrophobicContact CB-CZ 3.84Å; E755-F757 HydrophobicContact CG-CD1 4.43Å; E755-F757 HydrophobicContact CG-CE1 3.86Å; E755-F757 HydrophobicContact CG-CE2 3.99Å; E755-F757 HydrophobicContact CG-CZ 3.61Å
756	L	98.5	Very high	95.1	Very high	6 Å²	6	26.6 Å²	26.6	3%	0.031	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	112.5	177.8	179.5	64.9	0	0	0	111	W507 Y635 P778 L780 M794 I795 L798	W507-L756 HydrophobicContact CH2-CD2 4.22Å; Y635-L756 HydrophobicContact CD1-CD1 4.47Å; L756-P778 HydrophobicContact CD2-CG 4.1Å; L756-P778 HydrophobicContact CG-CG 4Å; L756-P778 WeakPolarHBondContact O-CD 3.46Å; L756-L780 HydrophobicContact CD2-CD1 4.42Å; L756-L780 HydrophobicContact CD2-CD2 4.24Å; L756-M794 HydrophobicContact CD1-SD 4.19Å; L756-M794 HydrophobicContact CD2-CE 3.77Å; L756-M794 HydrophobicContact CD2-SD 4.23Å; L756-I795 HydrophobicContact CD2-CD1 4.32Å; L756-L798 HydrophobicContact CB-CD1 3.8Å; L756-L798 HydrophobicContact CD1-CD1 3.94Å; L756-L798 HydrophobicContact CD2-CD1 4.07Å; L756-L798 HydrophobicContact CG-CD1 4.14Å
757	F	98.6	Very high	95.2	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	135.8	176.6	-55.5	-81.7	0	0	0	111.5	I534 V636 V638 I732 E755 F759 V774 N775 I776	I534-F757 HydrophobicContact CG2-CD1 4.31Å; I534-F757 HydrophobicContact CG2-CE1 3.72Å; I534-F757 HydrophobicContact CG2-CZ 4.36Å; V636-F757 HydrophobicContact CB-CB 4.35Å; V636-F757 PolarHBondContact N-O 3.04Å; V636-F757 PolarHBondContact O-N 2.88Å; V638-F757 HydrophobicContact CB-CE2 4.09Å; V638-F757 HydrophobicContact CG2-CD2 4.18Å; V638-F757 HydrophobicContact CG2-CE2 3.82Å; I732-F757 HydrophobicContact CD1-CD2 4.31Å; I732-F757 HydrophobicContact CD1-CE2 4.3Å; E755-F757 HydrophobicContact CB-CE2 3.91Å; E755-F757 HydrophobicContact CB-CZ 3.84Å; E755-F757 HydrophobicContact CG-CD1 4.43Å; E755-F757 HydrophobicContact CG-CE1 3.86Å; E755-F757 HydrophobicContact CG-CE2 3.99Å; E755-F757 HydrophobicContact CG-CZ 3.61Å; F757-F759 HydrophobicContact CB-CD2 3.88Å; F757-F759 HydrophobicContact CB-CE2 3.72Å; F757-F759 HydrophobicContact CG-CE2 4.36Å; F757-V774 HydrophobicContact CB-CG1 3.82Å; F757-V774 HydrophobicContact CD1-CG1 3.9Å; F757-V774 HydrophobicContact CG-CG1 4.19Å; F757-N775 CarbonylContact C-O 3.29Å; F757-N775 WeakPolarHBondContact CA-O 3.37Å; F757-I776 HydrophobicContact CD1-CG2 4.09Å; F757-I776 HydrophobicContact CE1-CG2 4Å
758	G	98.3	Very high	95.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	100.4	165.6	0	0	0	0	0	110.8	N775	G758-N775 PolarHBondContact N-O 2.94Å; G758-N775 WeakPolarHBondContact O-CB 3.26Å; G758-N775 PolarHBondContact O-N 3.44Å; G758-N775 PolarHBondContact O-ND2 2.91Å
759	F	98.6	Very high	95.9	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	132.8	174.6	-84.8	-118	0	0	0	110	I534 R633 I634 V636 V728 T731 I732 F757 I771 V774	I534-F759 HydrophobicContact CD1-CE2 4.46Å; I534-F759 HydrophobicContact CD1-CZ 4.01Å; R633-F759 WeakPolarHBondContact CA-O 3.35Å; I634-F759 HydrophobicContact CB-CB 4.48Å; I634-F759 PolarHBondContact N-O 3.46Å; I634-F759 PolarHBondContact O-N 3.37Å; V636-F759 HydrophobicContact CB-CD2 3.79Å; V636-F759 HydrophobicContact CB-CE2 3.81Å; V636-F759 HydrophobicContact CG1-CE2 4.12Å; V636-F759 HydrophobicContact CG2-CB 4.39Å; V636-F759 HydrophobicContact CG2-CD2 3.39Å; V636-F759 HydrophobicContact CG2-CE2 3.72Å; V636-F759 HydrophobicContact CG2-CG 3.89Å; V636-F759 HydrophobicContact CG2-CZ 4.46Å; V728-F759 HydrophobicContact CB-CE1 4.27Å; V728-F759 HydrophobicContact CG1-CE1 4.3Å; V728-F759 HydrophobicContact CG1-CZ 4.17Å; V728-F759 HydrophobicContact CG2-CD1 3.83Å; V728-F759 HydrophobicContact CG2-CE1 3.97Å; V728-F759 HydrophobicContact CG2-CG 4.34Å; T731-F759 HydrophobicContact CG2-CE1 4.04Å; T731-F759 HydrophobicContact CG2-CZ 4.29Å; I732-F759 HydrophobicContact CD1-CE2 4.32Å; I732-F759 HydrophobicContact CD1-CZ 4.07Å; I732-F759 HydrophobicContact CG1-CZ 4.25Å; F757-F759 HydrophobicContact CB-CD2 3.88Å; F757-F759 HydrophobicContact CB-CE2 3.72Å; F757-F759 HydrophobicContact CG-CE2 4.36Å; F759-I771 HydrophobicContact CD1-CD1 3.4Å; F759-I771 HydrophobicContact CD1-CG1 4.33Å; F759-I771 HydrophobicContact CE1-CD1 3.54Å; F759-I771 HydrophobicContact CG-CD1 4.48Å; F759-V774 HydrophobicContact CD1-CG2 3.98Å; F759-V774 HydrophobicContact CD2-CG1 3.87Å; F759-V774 HydrophobicContact CD2-CG2 4.23Å; F759-V774 HydrophobicContact CE1-CG2 3.8Å; F759-V774 HydrophobicContact CE2-CG1 3.68Å; F759-V774 HydrophobicContact CE2-CG2 4.06Å; F759-V774 HydrophobicContact CG-CG2 4.19Å; F759-V774 HydrophobicContact CZ-CG1 4.22Å; F759-V774 HydrophobicContact CZ-CG2 3.84Å
760	D	98.3	Very high	96.4	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.011	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	106	179.4	-70	22.6	0	0	0	108.7	L632 R633 R655 L772 E773 N775	L632-D760 WeakPolarHBondContact O-CA 3.4Å; R633-D760 IonicContact CZ-OD1 3.46Å; R633-D760 IonicContact CZ-OD2 2.84Å; R633-D760 IonicContact NE-OD1 3.42Å; R633-D760 PolarHBondContact NE-OD1 3.41Å; R633-D760 VanDerWaalsContact NH2-CG 3.29Å; R633-D760 IonicContact NH2-OD1 3.44Å; R633-D760 PolarHBondContact NH2-OD1 2.86Å; R633-D760 IonicContact NH2-OD2 2.93Å; R633-D760 PolarHBondContact NH2-OD2 3.32Å; R655-D760 IonicContact CZ-OD2 2.69Å; R655-D760 IonicContact NH1-OD2 3.94Å; R655-D760 VanDerWaalsContact NH2-CG 3.27Å; R655-D760 IonicContact NH2-OD1 2.69Å; R655-D760 IonicContact NH2-OD2 3.29Å; R655-D760 PolarHBondContact NH2-OD2 3.1Å; D760-L772 HydrophobicContact CB-CB 4.44Å; D760-L772 WeakPolarHBondContact O-CB 3.47Å; D760-L772 PolarHBondContact O-N 3.27Å; D760-E773 HydrophobicContact CB-CG 3.84Å; D760-E773 PolarHBondContact N-O 3.45Å; D760-N775 VanDerWaalsContact CG-ND2 3.32Å; D760-N775 PolarHBondContact OD1-ND2 3.19Å; D760-N775 PolarHBondContact OD2-ND2 3.49Å
761	I	98.6	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	146.1	-174.1	-62.2	-174	0	0	0	110.5	L632 I634 I724 I727 P769 W770 I771	L632-I761 HydrophobicContact CB-CB 4.48Å; L632-I761 PolarHBondContact N-O 3.19Å; L632-I761 PolarHBondContact O-N 3.37Å; I634-I761 HydrophobicContact CD1-CB 4.21Å; I634-I761 HydrophobicContact CD1-CD1 3.92Å; I634-I761 HydrophobicContact CD1-CG1 4.28Å; I724-I761 HydrophobicContact CG1-CD1 4.2Å; I724-I761 HydrophobicContact CG1-CG2 4.38Å; I724-I761 HydrophobicContact CG2-CD1 4.1Å; I727-I761 HydrophobicContact CG2-CD1 4.26Å; I761-P769 HydrophobicContact CG2-CB 3.69Å; I761-W770 CarbonylContact C-O 3.57Å; I761-W770 WeakPolarHBondContact CA-O 3.11Å; I761-I771 HydrophobicContact CG1-CB 4.34Å; I761-I771 HydrophobicContact CG1-CG1 4.36Å
762	M	98.3	Very high	97.6	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.02	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.3	178.8	-173.2	164.3	-76	0	0	110.8	L619 P622 K629 F630 D631 P769 W770 L772	L619-M762 HydrophobicContact CB-SD 4.5Å; L619-M762 HydrophobicContact CD1-CB 4.26Å; L619-M762 HydrophobicContact CD1-CG 4.32Å; L619-M762 HydrophobicContact CD1-SD 4.2Å; P622-M762 HydrophobicContact CB-SD 4.41Å; K629-M762 HydrophobicContact CD-CE 4.49Å; K629-M762 WeakPolarHBondContact CE-SD 3.44Å; K629-M762 HydrophobicContact CG-CE 4.46Å; F630-M762 WeakPolarHBondContact O-CE 3.33Å; D631-M762 HydrophobicContact CB-CE 3.87Å; M762-P769 CarbonylContact O-C 3.17Å; M762-W770 PolarHBondContact N-O 3.43Å; M762-W770 PolarHBondContact O-N 3.3Å; M762-L772 HydrophobicContact CB-CD1 3.96Å; M762-L772 HydrophobicContact CB-CD2 4.18Å; M762-L772 HydrophobicContact CB-CG 4.16Å; M762-L772 HydrophobicContact CE-CD1 3.79Å; M762-L772 HydrophobicContact SD-CD1 4.3Å
763	L	98.4	Very high	97.7	Very high	2 Å²	2	20 Å²	20	1%	0.01	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	134.7	172.4	-54.9	-175.7	0	0	0	109.8	P622 Y623 F630 L710 I720 L767 K768 P769	P622-L763 WeakPolarHBondContact CA-O 3.26Å; Y623-L763 PolarHBondContact N-O 3.2Å; F630-L763 HydrophobicContact CE2-CD1 4.5Å; F630-L763 HydrophobicContact CZ-CD1 4.4Å; L710-L763 HydrophobicContact CD1-CD1 4.49Å; I720-L763 HydrophobicContact CG2-CD1 4.38Å; I720-L763 HydrophobicContact CG2-CD2 3.73Å; L763-L767 HydrophobicContact CD1-CD2 4.12Å; L763-K768 WeakPolarHBondContact CA-O 3.27Å; L763-P769 HydrophobicContact CD2-CB 3.95Å
764	D	97.8	Very high	97.8	Very high	22 Å²	22	20.1 Å²	20.1	12%	0.118	10%	0.099	C	C	.	.	B	Isolated β-bridge	trans	-85.3	176.5	167.7	77.5	28.6	0	0	0	112.6	K621 N766 L767 K768 W770	K621-D764 WeakPolarHBondContact O-CA 3.45Å; D764-N766 PolarHBondContact O-N 2.9Å; D764-N766 WeakPolarHBondContact OD1-CA 3.21Å; D764-N766 WeakPolarHBondContact OD1-CB 3.41Å; D764-N766 PolarHBondContact OD1-N 3.02Å; D764-N766 PolarHBondContact OD1-ND2 3.15Å; D764-L767 WeakPolarHBondContact O-CA 3.1Å; D764-L767 PolarHBondContact O-N 3.24Å; D764-K768 PolarHBondContact N-O 3.14Å; D764-K768 PolarHBondContact OD1-N 2.98Å; D764-W770 PolarHBondContact OD2-NE1 2.87Å
765	E	97.3	Very high	97.7	Very high	92 Å²	92	21.5 Å²	21.5	43%	0.43	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-23.8	-179.5	73.1	-176.4	154.6	0	0	114.4	K621	K621-E765 HydrophobicContact CB-CB 4.35Å; K621-E765 HydrophobicContact CB-CG 4.44Å; K621-E765 HydrophobicContact CD-CG 4.37Å; K621-E765 WeakPolarHBondContact CD-OE1 3.11Å; K621-E765 WeakPolarHBondContact CD-OE2 3.38Å; K621-E765 WeakPolarHBondContact CE-OE1 3.3Å; K621-E765 WeakPolarHBondContact CE-OE2 2.91Å; K621-E765 IonicContact NZ-OE1 2.91Å; K621-E765 PolarHBondContact NZ-OE1 3.4Å; K621-E765 IonicContact NZ-OE2 3.6Å; K621-E765 PolarHBondContact NZ-OE2 3.05Å; K621-E765 PolarHBondContact O-N 3.4Å
766	N	97.2	Very high	97.6	Very high	117 Å²	117	22.4 Å²	22.4	63%	0.626	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	18.5	-180	-42.2	-85.2	0	0	0	111.9	D764 K768	D764-N766 PolarHBondContact O-N 2.9Å; D764-N766 WeakPolarHBondContact OD1-CA 3.21Å; D764-N766 WeakPolarHBondContact OD1-CB 3.41Å; D764-N766 PolarHBondContact OD1-N 3.02Å; D764-N766 PolarHBondContact OD1-ND2 3.15Å; N766-K768 PolarHBondContact O-N 3.35Å; N766-K768 VanDerWaalsContact O-N 3.09Å
767	L	97.6	Very high	97.2	Very high	36 Å²	36	25.6 Å²	25.6	19%	0.188	13%	0.134	C	C	.	.			trans	58.6	19	-177.5	-62.2	161.2	0	0	0	114.3	Y623 I715 I720 L763 D764 P769	Y623-L767 HydrophobicContact CD1-CD2 4.22Å; Y623-L767 HydrophobicContact CD2-CD2 3.6Å; Y623-L767 HydrophobicContact CD2-CG 4.16Å; Y623-L767 HydrophobicContact CE1-CD2 4.33Å; Y623-L767 HydrophobicContact CE2-CD2 3.72Å; Y623-L767 HydrophobicContact CE2-CG 4.24Å; Y623-L767 HydrophobicContact CG-CD2 3.87Å; I715-L767 HydrophobicContact CB-CD1 4.43Å; I715-L767 HydrophobicContact CD1-CD1 3.92Å; I715-L767 HydrophobicContact CD1-CD2 4.41Å; I715-L767 HydrophobicContact CG1-CD1 3.97Å; I715-L767 HydrophobicContact CG2-CD1 3.62Å; I720-L767 HydrophobicContact CD1-CB 3.98Å; I720-L767 HydrophobicContact CD1-CD1 4.41Å; I720-L767 HydrophobicContact CD1-CD2 4.16Å; I720-L767 HydrophobicContact CD1-CG 4.43Å; L763-L767 HydrophobicContact CD1-CD2 4.12Å; D764-L767 WeakPolarHBondContact O-CA 3.1Å; D764-L767 PolarHBondContact O-N 3.24Å; L767-P769 WeakPolarHBondContact O-CD 3.26Å
768	K	97.8	Very high	97	Very high	61 Å²	61	26 Å²	26	27%	0.265	14%	0.137	S	C	.	.			trans	-76.3	126.1	174.7	-177.3	-171.8	171.1	-169.2	0	109.9	N557 L763 D764 N766 W770	N557-K768 WeakPolarHBondContact O-CE 3.4Å; N557-K768 PolarHBondContact O-NZ 3.03Å; L763-K768 WeakPolarHBondContact CA-O 3.27Å; D764-K768 PolarHBondContact N-O 3.14Å; D764-K768 PolarHBondContact OD1-N 2.98Å; N766-K768 PolarHBondContact O-N 3.35Å; N766-K768 VanDerWaalsContact O-N 3.09Å; K768-W770 HydrophobicContact CD-CZ2 3.91Å; K768-W770 VanDerWaalsContact NZ-CH2 3.25Å; K768-W770 VanDerWaalsContact O-CD1 3.28Å
769	P	98.4	Very high	96.7	Very high	3 Å²	3	29 Å²	29	2%	0.019	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	140.7	172.7	28	-32	0	0	0	112.4	K723 I724 I727 I761 M762 L763 L767	K723-P769 HydrophobicContact CB-CG 3.66Å; I724-P769 HydrophobicContact CG1-CB 3.91Å; I724-P769 HydrophobicContact CG1-CG 4.21Å; I727-P769 HydrophobicContact CD1-CB 3.8Å; I727-P769 HydrophobicContact CD1-CG 3.7Å; I761-P769 HydrophobicContact CG2-CB 3.69Å; M762-P769 CarbonylContact O-C 3.17Å; L763-P769 HydrophobicContact CD2-CB 3.95Å; L767-P769 WeakPolarHBondContact O-CD 3.26Å
770	W	98.5	Very high	96.5	Very high	23 Å²	23	29.3 Å²	29.3	9%	0.087	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	127.6	173.2	-64.8	86.3	0	0	0	110	F558 P560 L619 I761 M762 D764 K768	F558-W770 CarbonylContact O-C 3.56Å; F558-W770 VanDerWaalsContact O-CA 3.27Å; F558-W770 WeakPolarHBondContact O-CA 3.3Å; P560-W770 HydrophobicContact CG-CE3 4.14Å; L619-W770 HydrophobicContact CD1-CB 3.72Å; L619-W770 HydrophobicContact CD1-CG 3.88Å; L619-W770 HydrophobicContact CD2-CD2 4.12Å; L619-W770 HydrophobicContact CD2-CG 4.18Å; I761-W770 CarbonylContact C-O 3.57Å; I761-W770 WeakPolarHBondContact CA-O 3.11Å; M762-W770 PolarHBondContact N-O 3.43Å; M762-W770 PolarHBondContact O-N 3.3Å; D764-W770 PolarHBondContact OD2-NE1 2.87Å; K768-W770 HydrophobicContact CD-CZ2 3.91Å; K768-W770 VanDerWaalsContact NZ-CH2 3.25Å; K768-W770 VanDerWaalsContact O-CD1 3.28Å
771	I	97.9	Very high	96	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	134.7	174.3	-169.6	178	0	0	0	110.8	F558 F559 P560 I727 T731 F759 I761 V774	F558-I771 HydrophobicContact CD2-CG2 3.7Å; F558-I771 HydrophobicContact CE2-CG2 4.11Å; F558-I771 PolarHBondContact O-N 3.29Å; F559-I771 HydrophobicContact CB-CG2 4.32Å; F559-I771 HydrophobicContact CD2-CG2 3.83Å; F559-I771 WeakPolarHBondContact CD2-O 3.42Å; P560-I771 WeakPolarHBondContact CD-O 3.28Å; I727-I771 HydrophobicContact CG2-CB 3.9Å; I727-I771 HydrophobicContact CG2-CD1 4.33Å; I727-I771 HydrophobicContact CG2-CG2 4.01Å; T731-I771 HydrophobicContact CG2-CD1 4.07Å; F759-I771 HydrophobicContact CD1-CD1 3.4Å; F759-I771 HydrophobicContact CD1-CG1 4.33Å; F759-I771 HydrophobicContact CE1-CD1 3.54Å; F759-I771 HydrophobicContact CG-CD1 4.48Å; I761-I771 HydrophobicContact CG1-CB 4.34Å; I761-I771 HydrophobicContact CG1-CG1 4.36Å; I771-V774 HydrophobicContact CD1-CG2 3.7Å
772	L	95.8	Very high	95.4	Very high	26 Å²	26	37.1 Å²	37.1	14%	0.136	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-38.5	-173.7	-58.1	-173.7	0	0	0	113.3	K588 L619 D760 M762	K588-L772 PolarHBondContact NZ-O 3.17Å; L619-L772 HydrophobicContact CD1-CD2 3.93Å; D760-L772 HydrophobicContact CB-CB 4.44Å; D760-L772 WeakPolarHBondContact O-CB 3.47Å; D760-L772 PolarHBondContact O-N 3.27Å; M762-L772 HydrophobicContact CB-CD1 3.96Å; M762-L772 HydrophobicContact CB-CD2 4.18Å; M762-L772 HydrophobicContact CB-CG 4.16Å; M762-L772 HydrophobicContact CE-CD1 3.79Å; M762-L772 HydrophobicContact SD-CD1 4.3Å
773	E	95.3	Very high	94.6	Very high	17 Å²	17	42.8 Å²	42.8	8%	0.079	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169	163.1	177.4	55.9	-169.8	165.9	0	0	110.2	K537 D760	K537-E773 WeakPolarHBondContact CE-OE2 3.29Å; K537-E773 IonicContact NZ-OE2 3.22Å; K537-E773 PolarHBondContact NZ-OE2 3.3Å; D760-E773 HydrophobicContact CB-CG 3.84Å; D760-E773 PolarHBondContact N-O 3.45Å
774	V	97.4	Very high	94	Very high	4 Å²	4	44 Å²	44	2%	0.024	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.5	168.6	-178.4	0	0	0	0	108	I534 L540 T731 F757 F759 I771	I534-V774 HydrophobicContact CD1-CB 4.38Å; I534-V774 HydrophobicContact CD1-CG1 4.03Å; I534-V774 HydrophobicContact CD1-CG2 4.12Å; I534-V774 HydrophobicContact CG1-CB 3.88Å; I534-V774 HydrophobicContact CG1-CG1 3.91Å; I534-V774 HydrophobicContact CG1-CG2 3.88Å; L540-V774 HydrophobicContact CD2-CG2 4.33Å; T731-V774 HydrophobicContact CG2-CG2 4.29Å; F757-V774 HydrophobicContact CB-CG1 3.82Å; F757-V774 HydrophobicContact CD1-CG1 3.9Å; F757-V774 HydrophobicContact CG-CG1 4.19Å; F759-V774 HydrophobicContact CD1-CG2 3.98Å; F759-V774 HydrophobicContact CD2-CG1 3.87Å; F759-V774 HydrophobicContact CD2-CG2 4.23Å; F759-V774 HydrophobicContact CE1-CG2 3.8Å; F759-V774 HydrophobicContact CE2-CG1 3.68Å; F759-V774 HydrophobicContact CE2-CG2 4.06Å; F759-V774 HydrophobicContact CG-CG2 4.19Å; F759-V774 HydrophobicContact CZ-CG1 4.22Å; F759-V774 HydrophobicContact CZ-CG2 3.84Å; I771-V774 HydrophobicContact CD1-CG2 3.7Å
775	N	95.8	Very high	93.5	Very high	35 Å²	35	46.2 Å²	46.2	19%	0.187	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	113.4	-179.5	-62.6	-102.1	0	0	0	109.1	R633 F757 G758 D760 S777	R633-N775 PolarHBondContact NH2-ND2 3.4Å; F757-N775 CarbonylContact C-O 3.29Å; F757-N775 WeakPolarHBondContact CA-O 3.37Å; G758-N775 PolarHBondContact N-O 2.94Å; G758-N775 WeakPolarHBondContact O-CB 3.26Å; G758-N775 PolarHBondContact O-N 3.44Å; G758-N775 PolarHBondContact O-ND2 2.91Å; D760-N775 VanDerWaalsContact CG-ND2 3.32Å; D760-N775 PolarHBondContact OD1-ND2 3.19Å; D760-N775 PolarHBondContact OD2-ND2 3.49Å; N775-S777 VanDerWaalsContact C-N 3.25Å; N775-S777 PolarHBondContact O-N 3.06Å
776	I	94.4	Very high	93.1	Very high	20 Å²	20	41.8 Å²	41.8	10%	0.103	24%	0.239	C	C	.	.	S	Bend	trans	-73.4	-16	177.5	59.5	-178.7	0	0	0	113.5	H527 T531 F532 I534 G535 F757	H527-I776 PolarHBondContact CE1-O 3.03Å; H527-I776 VanDerWaalsContact CE1-O 3.29Å; T531-I776 HydrophobicContact CG2-CD1 4.34Å; T531-I776 WeakPolarHBondContact OG1-CG2 3.47Å; F532-I776 HydrophobicContact CD1-CD1 3.61Å; F532-I776 HydrophobicContact CE1-CD1 3.59Å; F532-I776 HydrophobicContact CG-CD1 4.37Å; F532-I776 HydrophobicContact CZ-CD1 4.3Å; I534-I776 HydrophobicContact CG2-CG2 4.49Å; G535-I776 VanDerWaalsContact CA-CG2 3.48Å; F757-I776 HydrophobicContact CD1-CG2 4.09Å; F757-I776 HydrophobicContact CE1-CG2 4Å
777	S	91.9	Very high	92.8	Very high	73 Å²	73	36.7 Å²	36.7	51%	0.51	21%	0.211	S	C	.	.	S	Bend	trans	-134.3	76.7	172.7	-58.1	0	0	0	0	108.8	H510 N775	H510-S777 PolarHBondContact NE2-OG 3.06Å; N775-S777 VanDerWaalsContact C-N 3.25Å; N775-S777 PolarHBondContact O-N 3.06Å
778	P	94.4	Very high	92.5	Very high	9 Å²	9	37.3 Å²	37.3	6%	0.058	22%	0.217	C	C	.	.			trans	-65.4	141.1	178.6	27	-32.4	0	0	0	110.9	Y635 L756 L780	Y635-P778 HydrophobicContact CE1-CB 4.26Å; L756-P778 HydrophobicContact CD2-CG 4.1Å; L756-P778 HydrophobicContact CG-CG 4Å; L756-P778 WeakPolarHBondContact O-CD 3.46Å; P778-L780 PolarHBondContact O-N 2.74Å
779	S	91.3	Very high	92.2	Very high	62 Å²	62	36.9 Å²	36.9	43%	0.434	22%	0.221	S	C	.	.			trans	-66.9	117.2	-179.1	-174.5	0	0	0	0	112.2	H781 K791	S779-H781 PolarHBondContact OG-ND1 3.32Å; S779-K791 WeakPolarHBondContact O-CE 3.39Å
780	L	93.7	Very high	92	Very high	8 Å²	8	37.1 Å²	37.1	4%	0.042	22%	0.222	C	C	.	.			trans	-99.2	13.7	176.8	-63.8	171.4	0	0	0	113	P482 I484 W507 L756 P778 S782 K791 M794 I795	P482-L780 HydrophobicContact CB-CB 3.87Å; P482-L780 HydrophobicContact CG-CB 3.78Å; P482-L780 HydrophobicContact CG-CD1 3.85Å; P482-L780 HydrophobicContact CG-CG 4.41Å; I484-L780 HydrophobicContact CG2-CB 4.29Å; W507-L780 HydrophobicContact CH2-CD1 3.63Å; W507-L780 HydrophobicContact CZ2-CD1 3.37Å; L756-L780 HydrophobicContact CD2-CD1 4.42Å; L756-L780 HydrophobicContact CD2-CD2 4.24Å; P778-L780 PolarHBondContact O-N 2.74Å; L780-S782 PolarHBondContact O-N 3.44Å; L780-S782 PolarHBondContact O-OG 3.26Å; L780-S782 VanDerWaalsContact O-OG 3.08Å; L780-K791 HydrophobicContact CD2-CG 4.33Å; L780-M794 HydrophobicContact CD2-CE 3.39Å; L780-I795 HydrophobicContact CD1-CD1 3.73Å; L780-I795 HydrophobicContact CD1-CG1 4.46Å; L780-I795 HydrophobicContact CD2-CD1 4.12Å; L780-I795 HydrophobicContact CD2-CG1 4.3Å
781	H	88.9	Confident	91.8	Very high	134 Å²	134	36.4 Å²	36.4	62%	0.62	22%	0.22	S	C	*	.			trans	-59	133.3	167.1	-69.3	87.2	0	0	0	110	S779 K791	S779-H781 PolarHBondContact OG-ND1 3.32Å; H781-K791 PolarHBondContact O-NZ 3.44Å
782	S	85.5	Confident	91.7	Very high	32 Å²	32	37 Å²	37	22%	0.224	23%	0.226	C	C	.	.			trans	-128.7	66.8	-169.4	-57.1	0	0	0	0	111.6	L780 S784 K791	L780-S782 PolarHBondContact O-N 3.44Å; L780-S782 PolarHBondContact O-OG 3.26Å; L780-S782 VanDerWaalsContact O-OG 3.08Å; S782-S784 VanDerWaalsContact C-N 3.31Å; S782-S784 PolarHBondContact O-N 3.49Å; S782-K791 WeakPolarHBondContact OG-CD 3.36Å
783	N	81	Confident	91.7	Very high	123 Å²	123	37.8 Å²	37.8	66%	0.658	23%	0.229	S	C	*	.			trans	-90	16.1	-171.4	-56.5	52.2	0	0	0	113.4
784	S	85.8	Confident	91.9	Very high	27 Å²	27	37 Å²	37	19%	0.189	23%	0.226	C	C	.	.	S	Bend	trans	-157.5	152.9	177.2	56.8	0	0	0	0	110	K700 S782 L786 D787 V788	K700-S784 PolarHBondContact NZ-OG 2.95Å; S782-S784 VanDerWaalsContact C-N 3.31Å; S782-S784 PolarHBondContact O-N 3.49Å; S784-L786 VanDerWaalsContact C-N 3.27Å; S784-L786 PolarHBondContact O-N 3.39Å; S784-D787 WeakPolarHBondContact O-CA 3.46Å; S784-D787 WeakPolarHBondContact O-CB 3.35Å; S784-D787 PolarHBondContact O-N 3.2Å; S784-D787 PolarHBondContact OG-OD2 2.87Å; S784-V788 PolarHBondContact O-N 3.25Å
785	A	88.1	Confident	91.9	Very high	68 Å²	68	36.8 Å²	36.8	56%	0.562	22%	0.224	S	C	*	.	H	α-helix	trans	-53.1	-43	-177.7	0	0	0	0	0	112.6	D787 V788 S789	A785-D787 VanDerWaalsContact C-N 3.33Å; A785-D787 PolarHBondContact O-N 3.09Å; A785-V788 PolarHBondContact O-N 2.95Å; A785-V788 VanDerWaalsContact O-N 3.1Å; A785-S789 WeakPolarHBondContact O-CB 3.2Å; A785-S789 PolarHBondContact O-N 2.95Å
786	L	89.3	Confident	91.9	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-57.3	-37.6	172.5	168.6	61.6	0	0	0	113.8	L653 N690 D693 K700 A702 S784 I790	L653-L786 HydrophobicContact CD2-CD1 4.47Å; L653-L786 HydrophobicContact CD2-CG 4.32Å; N690-L786 HydrophobicContact CB-CD2 4.38Å; D693-L786 HydrophobicContact CB-CB 4.28Å; D693-L786 HydrophobicContact CB-CD1 3.69Å; K700-L786 HydrophobicContact CB-CD2 4.45Å; K700-L786 HydrophobicContact CD-CD2 3.91Å; K700-L786 HydrophobicContact CD-CG 4.43Å; K700-L786 HydrophobicContact CG-CD2 4.09Å; K700-L786 VanDerWaalsContact O-CD2 3.28Å; K700-L786 WeakPolarHBondContact O-CD2 3.37Å; A702-L786 HydrophobicContact CB-CD1 3.93Å; S784-L786 VanDerWaalsContact C-N 3.27Å; S784-L786 PolarHBondContact O-N 3.39Å; L786-I790 HydrophobicContact CD1-CD1 3.5Å; L786-I790 VanDerWaalsContact CD1-CD1 3.5Å; L786-I790 HydrophobicContact CD1-CG1 4.21Å; L786-I790 PolarHBondContact O-N 3.48Å
787	D	90.6	Very high	92.1	Very high	9 Å²	9	36.1 Å²	36.1	5%	0.048	22%	0.218	C	C	.	.	H	α-helix	trans	-70.5	-41.6	173.3	-70.8	-62.3	0	0	0	111.6	L653 K700 S784 A785 K791	L653-D787 WeakPolarHBondContact CD1-OD1 3.41Å; K700-D787 VanDerWaalsContact NZ-CG 3.32Å; K700-D787 IonicContact NZ-OD1 3.35Å; K700-D787 PolarHBondContact NZ-OD1 3.06Å; K700-D787 IonicContact NZ-OD2 3.1Å; K700-D787 PolarHBondContact NZ-OD2 3.49Å; S784-D787 WeakPolarHBondContact O-CA 3.46Å; S784-D787 WeakPolarHBondContact O-CB 3.35Å; S784-D787 PolarHBondContact O-N 3.2Å; S784-D787 PolarHBondContact OG-OD2 2.87Å; A785-D787 VanDerWaalsContact C-N 3.33Å; A785-D787 PolarHBondContact O-N 3.09Å; D787-K791 HydrophobicContact CB-CD 4.18Å; D787-K791 WeakPolarHBondContact O-CB 3.29Å; D787-K791 WeakPolarHBondContact O-CD 3.16Å; D787-K791 WeakPolarHBondContact O-CG 3.24Å; D787-K791 PolarHBondContact O-N 3.39Å; D787-K791 IonicContact OD1-NZ 2.71Å; D787-K791 PolarHBondContact OD1-NZ 3.01Å
788	V	90.9	Very high	92.4	Very high	50 Å²	50	32.8 Å²	32.8	30%	0.303	19%	0.194	S	C	.	.	H	α-helix	trans	-65.1	-46.7	-178.8	177.3	0	0	0	0	110.9	S784 A785 G792	S784-V788 PolarHBondContact O-N 3.25Å; A785-V788 PolarHBondContact O-N 2.95Å; A785-V788 VanDerWaalsContact O-N 3.1Å; V788-G792 VanDerWaalsContact O-CA 3.3Å; V788-G792 WeakPolarHBondContact O-CA 3.39Å; V788-G792 PolarHBondContact O-N 3.36Å
789	S	91.1	Very high	92.6	Very high	52 Å²	52	32.4 Å²	32.4	36%	0.364	19%	0.192	S	C	.	.	H	α-helix	trans	-52.6	-63.3	175.4	177.4	0	0	0	0	110.8	D693 A785 Q793	D693-S789 WeakPolarHBondContact OD2-CB 3.05Å; D693-S789 PolarHBondContact OD2-OG 3.47Å; A785-S789 WeakPolarHBondContact O-CB 3.2Å; A785-S789 PolarHBondContact O-N 2.95Å; S789-Q793 WeakPolarHBondContact O-CB 3.41Å; S789-Q793 PolarHBondContact O-N 2.97Å
790	I	94	Very high	92.9	Very high	7 Å²	7	30 Å²	30	4%	0.036	17%	0.174	C	C	.	.	H	α-helix	trans	-66.9	-45.6	-175.2	-66.8	-179.8	0	0	0	112.4	Y635 F649 D651 G652 L653 A702 L786 M794	Y635-I790 HydrophobicContact CE2-CG2 4.37Å; F649-I790 HydrophobicContact CE1-CG2 4.18Å; D651-I790 HydrophobicContact CB-CD1 4.45Å; D651-I790 HydrophobicContact CB-CG2 4.39Å; G652-I790 WeakPolarHBondContact O-CD1 3.5Å; L653-I790 HydrophobicContact CD2-CD1 3.99Å; A702-I790 HydrophobicContact CB-CD1 3.81Å; L786-I790 HydrophobicContact CD1-CD1 3.5Å; L786-I790 VanDerWaalsContact CD1-CD1 3.5Å; L786-I790 HydrophobicContact CD1-CG1 4.21Å; L786-I790 PolarHBondContact O-N 3.48Å; I790-M794 WeakPolarHBondContact O-CB 3.31Å; I790-M794 PolarHBondContact O-N 2.68Å
791	K	95.8	Very high	93.1	Very high	8 Å²	8	29.6 Å²	29.6	4%	0.035	17%	0.172	C	C	.	.	H	α-helix	trans	-78.6	-29	-176	-66.5	161.5	175.6	153.4	0	112.8	I484 Y635 S779 L780 H781 S782 D787 M794 I795	I484-K791 HydrophobicContact CD1-CB 3.91Å; Y635-K791 WeakPolarHBondContact OH-CE 3.42Å; S779-K791 WeakPolarHBondContact O-CE 3.39Å; L780-K791 HydrophobicContact CD2-CG 4.33Å; H781-K791 PolarHBondContact O-NZ 3.44Å; S782-K791 WeakPolarHBondContact OG-CD 3.36Å; D787-K791 HydrophobicContact CB-CD 4.18Å; D787-K791 WeakPolarHBondContact O-CB 3.29Å; D787-K791 WeakPolarHBondContact O-CD 3.16Å; D787-K791 WeakPolarHBondContact O-CG 3.24Å; D787-K791 PolarHBondContact O-N 3.39Å; D787-K791 IonicContact OD1-NZ 2.71Å; D787-K791 PolarHBondContact OD1-NZ 3.01Å; K791-M794 HydrophobicContact CB-CE 4.44Å; K791-M794 HydrophobicContact CG-CE 4.31Å; K791-I795 VanDerWaalsContact O-CB 3.24Å; K791-I795 WeakPolarHBondContact O-CB 3.32Å; K791-I795 WeakPolarHBondContact O-CG1 3.45Å; K791-I795 PolarHBondContact O-N 2.96Å
792	G	95.3	Very high	93.4	Very high	14 Å²	14	23.5 Å²	23.5	14%	0.144	15%	0.145	C	C	.	.	H	α-helix	trans	-66.2	-50.8	176	0	0	0	0	0	110.5	I484 V788 I795 R796	I484-G792 VanDerWaalsContact CD1-N 3.34Å; V788-G792 VanDerWaalsContact O-CA 3.3Å; V788-G792 WeakPolarHBondContact O-CA 3.39Å; V788-G792 PolarHBondContact O-N 3.36Å; G792-I795 PolarHBondContact O-N 2.69Å; G792-R796 WeakPolarHBondContact O-CB 3.49Å; G792-R796 PolarHBondContact O-N 3.4Å
793	Q	96.1	Very high	93.9	Very high	42 Å²	42	22.4 Å²	22.4	20%	0.196	14%	0.139	C	C	.	.	H	α-helix	trans	-57	-50.6	174	-173.8	56.7	37.6	0	0	111.6	F649 S789 I795 R796 D797 E887	F649-Q793 HydrophobicContact CE2-CG 4.45Å; F649-Q793 HydrophobicContact CZ-CB 4.19Å; F649-Q793 HydrophobicContact CZ-CG 3.92Å; S789-Q793 WeakPolarHBondContact O-CB 3.41Å; S789-Q793 PolarHBondContact O-N 2.97Å; Q793-I795 PolarHBondContact O-N 3.47Å; Q793-R796 PolarHBondContact O-N 2.71Å; Q793-D797 VanDerWaalsContact NE2-CG 3.31Å; Q793-D797 PolarHBondContact NE2-OD1 3.02Å; Q793-D797 PolarHBondContact NE2-OD2 2.94Å; Q793-D797 PolarHBondContact O-N 2.67Å; Q793-E887 HydrophobicContact CG-CG 4.4Å
794	M	97.9	Very high	94.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-59.7	-43.3	178.2	-178.8	-167.6	66.3	0	0	113.3	Y635 F649 L756 L780 I790 K791 L798 F888	Y635-M794 WeakPolarHBondContact CB-SD 3.45Å; Y635-M794 HydrophobicContact CD1-CE 4.1Å; Y635-M794 HydrophobicContact CD1-SD 3.48Å; Y635-M794 WeakPolarHBondContact CD1-SD 3.42Å; Y635-M794 HydrophobicContact CD2-SD 3.66Å; Y635-M794 HydrophobicContact CE1-CE 4.13Å; Y635-M794 HydrophobicContact CE1-SD 4.03Å; Y635-M794 HydrophobicContact CE2-SD 4.2Å; Y635-M794 HydrophobicContact CG-CE 4.4Å; Y635-M794 HydrophobicContact CG-SD 3.26Å; F649-M794 HydrophobicContact CD1-CB 4.07Å; F649-M794 HydrophobicContact CD1-CG 4.21Å; F649-M794 HydrophobicContact CD2-CB 4.05Å; F649-M794 HydrophobicContact CD2-CG 3.99Å; F649-M794 HydrophobicContact CE1-CB 3.84Å; F649-M794 HydrophobicContact CE1-CG 4.48Å; F649-M794 VanDerWaalsContact CE2-CA 3.48Å; F649-M794 HydrophobicContact CE2-CB 3.79Å; F649-M794 HydrophobicContact CE2-CG 4.25Å; F649-M794 HydrophobicContact CG-CB 4.2Å; F649-M794 HydrophobicContact CG-CG 3.99Å; F649-M794 HydrophobicContact CZ-CB 3.7Å; F649-M794 HydrophobicContact CZ-CG 4.5Å; L756-M794 HydrophobicContact CD1-SD 4.19Å; L756-M794 HydrophobicContact CD2-CE 3.77Å; L756-M794 HydrophobicContact CD2-SD 4.23Å; L780-M794 HydrophobicContact CD2-CE 3.39Å; I790-M794 WeakPolarHBondContact O-CB 3.31Å; I790-M794 PolarHBondContact O-N 2.68Å; K791-M794 HydrophobicContact CB-CE 4.44Å; K791-M794 HydrophobicContact CG-CE 4.31Å; M794-L798 WeakPolarHBondContact O-CB 3.49Å; M794-L798 PolarHBondContact O-N 3.41Å; M794-F888 HydrophobicContact CG-CE2 4.34Å; M794-F888 HydrophobicContact CG-CZ 3.81Å
795	I	97.9	Very high	95	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-74.2	-34.3	-177.9	-71	-67	0	0	0	111.7	I484 V485 W507 L756 L780 K791 G792 Q793 L799	I484-I795 HydrophobicContact CG2-CG1 4.37Å; V485-I795 HydrophobicContact CG2-CD1 4.26Å; V485-I795 HydrophobicContact CG2-CG2 3.94Å; W507-I795 HydrophobicContact CH2-CD1 3.96Å; W507-I795 HydrophobicContact CZ3-CD1 4.03Å; L756-I795 HydrophobicContact CD2-CD1 4.32Å; L780-I795 HydrophobicContact CD1-CD1 3.73Å; L780-I795 HydrophobicContact CD1-CG1 4.46Å; L780-I795 HydrophobicContact CD2-CD1 4.12Å; L780-I795 HydrophobicContact CD2-CG1 4.3Å; K791-I795 VanDerWaalsContact O-CB 3.24Å; K791-I795 WeakPolarHBondContact O-CB 3.32Å; K791-I795 WeakPolarHBondContact O-CG1 3.45Å; K791-I795 PolarHBondContact O-N 2.96Å; G792-I795 PolarHBondContact O-N 2.69Å; Q793-I795 PolarHBondContact O-N 3.47Å; I795-L799 HydrophobicContact CG2-CD1 3.99Å; I795-L799 VanDerWaalsContact O-CG 3.27Å; I795-L799 WeakPolarHBondContact O-CG 3.39Å; I795-L799 PolarHBondContact O-N 3Å; I795-L799 VanDerWaalsContact O-N 3.15Å
796	R	96.9	Very high	95.2	Very high	38 Å²	38	15.5 Å²	15.5	14%	0.143	9%	0.088	C	C	.	.	H	α-helix	trans	-56.8	-58.1	168.8	-176.4	-166.5	75.9	165.9	6.6	110.5	F455 S456 E460 G792 Q793 L798 L799 N800	F455-R796 WeakPolarHBondContact O-CD 3.37Å; F455-R796 WeakPolarHBondContact O-CG 3.34Å; S456-R796 WeakPolarHBondContact O-CG 3.15Å; E460-R796 VanDerWaalsContact CD-NH1 3.28Å; E460-R796 IonicContact OE1-NH1 3.23Å; E460-R796 PolarHBondContact OE1-NH1 2.83Å; E460-R796 IonicContact OE2-CZ 3.67Å; E460-R796 IonicContact OE2-NH1 2.71Å; E460-R796 PolarHBondContact OE2-NH1 3.48Å; G792-R796 WeakPolarHBondContact O-CB 3.49Å; G792-R796 PolarHBondContact O-N 3.4Å; Q793-R796 PolarHBondContact O-N 2.71Å; R796-L798 VanDerWaalsContact C-N 3.32Å; R796-L798 PolarHBondContact O-N 3.29Å; R796-L799 PolarHBondContact O-N 3.33Å; R796-N800 PolarHBondContact O-N 3.32Å; R796-N800 VanDerWaalsContact O-N 3.1Å; R796-N800 PolarHBondContact O-ND2 2.87Å
797	D	98.1	Very high	95.1	Very high	3 Å²	3	16.3 Å²	16.3	2%	0.016	9%	0.093	C	C	.	.	H	α-helix	trans	-64.4	-40	-173.7	-67.5	-11.3	0	0	0	110.7	Q793 L799 N800 L801 E887 F888	Q793-D797 VanDerWaalsContact NE2-CG 3.31Å; Q793-D797 PolarHBondContact NE2-OD1 3.02Å; Q793-D797 PolarHBondContact NE2-OD2 2.94Å; Q793-D797 PolarHBondContact O-N 2.67Å; D797-L799 VanDerWaalsContact C-N 3.35Å; D797-L799 PolarHBondContact O-N 3.49Å; D797-N800 PolarHBondContact O-N 2.96Å; D797-L801 WeakPolarHBondContact O-CB 3.44Å; D797-L801 PolarHBondContact O-N 3.44Å; D797-E887 PolarHBondContact OD2-N 3.37Å; D797-F888 HydrophobicContact CB-CD2 3.88Å; D797-F888 HydrophobicContact CB-CE2 3.94Å
798	L	98.4	Very high	94.6	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.01	11%	0.106	C	C	.	.	H	α-helix	trans	-58.1	-42.1	174.8	178.6	148.9	0	0	0	113	W507 Y637 L756 M794 R796 A802 F888	W507-L798 HydrophobicContact CZ3-CD2 4.3Å; Y637-L798 HydrophobicContact CD1-CD1 4.44Å; Y637-L798 HydrophobicContact CD1-CG 4.24Å; Y637-L798 HydrophobicContact CD2-CD1 3.49Å; Y637-L798 VanDerWaalsContact CD2-CD1 3.49Å; Y637-L798 HydrophobicContact CD2-CG 3.91Å; Y637-L798 HydrophobicContact CE1-CG 3.99Å; Y637-L798 HydrophobicContact CE2-CD1 3.71Å; Y637-L798 HydrophobicContact CE2-CD2 4.24Å; Y637-L798 HydrophobicContact CE2-CG 3.7Å; Y637-L798 HydrophobicContact CG-CD1 3.92Å; Y637-L798 HydrophobicContact CG-CG 4.2Å; L756-L798 HydrophobicContact CB-CD1 3.8Å; L756-L798 HydrophobicContact CD1-CD1 3.94Å; L756-L798 HydrophobicContact CD2-CD1 4.07Å; L756-L798 HydrophobicContact CG-CD1 4.14Å; M794-L798 WeakPolarHBondContact O-CB 3.49Å; M794-L798 PolarHBondContact O-N 3.41Å; R796-L798 VanDerWaalsContact C-N 3.32Å; R796-L798 PolarHBondContact O-N 3.29Å; L798-A802 VanDerWaalsContact O-CB 3.29Å; L798-A802 WeakPolarHBondContact O-CB 3.38Å; L798-A802 PolarHBondContact O-N 3.36Å; L798-F888 HydrophobicContact CB-CE2 4.1Å; L798-F888 HydrophobicContact CB-CZ 4.23Å
799	L	97.9	Very high	93.4	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	12%	0.119	C	C	.	.	H	α-helix	trans	-74.7	-33.2	-178.4	-68.7	171.4	0	0	0	112.2	F455 W475 T488 I489 I795 R796 D797 A802 F804	F455-L799 HydrophobicContact CB-CB 4.01Å; F455-L799 HydrophobicContact CD1-CB 3.91Å; F455-L799 HydrophobicContact CD1-CD1 3.91Å; F455-L799 HydrophobicContact CD2-CB 3.58Å; F455-L799 HydrophobicContact CE1-CB 4.25Å; F455-L799 HydrophobicContact CE1-CD1 4.21Å; F455-L799 HydrophobicContact CE2-CB 3.96Å; F455-L799 HydrophobicContact CG-CB 3.54Å; F455-L799 HydrophobicContact CG-CD1 4.32Å; F455-L799 HydrophobicContact CZ-CB 4.27Å; W475-L799 HydrophobicContact CH2-CD2 4.04Å; T488-L799 HydrophobicContact CG2-CD1 3.87Å; I489-L799 HydrophobicContact CG2-CD1 4.27Å; I795-L799 HydrophobicContact CG2-CD1 3.99Å; I795-L799 VanDerWaalsContact O-CG 3.27Å; I795-L799 WeakPolarHBondContact O-CG 3.39Å; I795-L799 PolarHBondContact O-N 3Å; I795-L799 VanDerWaalsContact O-N 3.15Å; R796-L799 PolarHBondContact O-N 3.33Å; D797-L799 VanDerWaalsContact C-N 3.35Å; D797-L799 PolarHBondContact O-N 3.49Å; L799-A802 WeakPolarHBondContact O-CB 3.35Å; L799-F804 HydrophobicContact CD2-CE2 3.73Å; L799-F804 HydrophobicContact CD2-CZ 4.16Å; L799-F804 WeakPolarHBondContact O-CD2 3.47Å
800	N	97.9	Very high	91.8	Very high	11 Å²	11	27.3 Å²	27.3	6%	0.059	14%	0.137	C	C	.	.	H	α-helix	trans	-64.5	-47.8	168.8	-75.1	-46.9	0	0	0	111.7	Y454 F455 R796 D797 A802 G803	Y454-N800 WeakPolarHBondContact CA-OD1 3.42Å; F455-N800 PolarHBondContact N-OD1 2.84Å; F455-N800 PolarHBondContact O-ND2 3.4Å; R796-N800 PolarHBondContact O-N 3.32Å; R796-N800 VanDerWaalsContact O-N 3.1Å; R796-N800 PolarHBondContact O-ND2 2.87Å; D797-N800 PolarHBondContact O-N 2.96Å; N800-A802 VanDerWaalsContact C-N 3.29Å; N800-A802 PolarHBondContact O-N 3.11Å; N800-G803 PolarHBondContact O-N 3.08Å
801	L	97	Very high	90	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-66.1	-31.2	179.6	-150.5	170.8	0	0	0	111	Y637 T639 Y647 D797 G803 E881 R885 F888	Y637-L801 HydrophobicContact CD1-CD1 4.23Å; Y637-L801 HydrophobicContact CD1-CD2 4.18Å; Y637-L801 HydrophobicContact CE1-CB 4.08Å; Y637-L801 HydrophobicContact CE1-CD1 4.45Å; Y637-L801 HydrophobicContact CE1-CD2 3.86Å; Y637-L801 HydrophobicContact CE1-CG 4.34Å; T639-L801 HydrophobicContact CG2-CD2 3.41Å; T639-L801 VanDerWaalsContact CG2-CD2 3.41Å; Y647-L801 HydrophobicContact CD1-CD1 3.74Å; Y647-L801 HydrophobicContact CD1-CD2 4.31Å; Y647-L801 HydrophobicContact CD2-CD2 4.08Å; Y647-L801 HydrophobicContact CE1-CD1 3.98Å; Y647-L801 HydrophobicContact CE1-CD2 4.02Å; Y647-L801 HydrophobicContact CE1-CG 4.41Å; Y647-L801 HydrophobicContact CE2-CD2 3.83Å; Y647-L801 HydrophobicContact CG-CD1 4.09Å; Y647-L801 HydrophobicContact CG-CD2 4.32Å; D797-L801 WeakPolarHBondContact O-CB 3.44Å; D797-L801 PolarHBondContact O-N 3.44Å; L801-G803 PolarHBondContact O-N 3.2Å; L801-E881 HydrophobicContact CD2-CG 3.5Å; L801-E881 HydrophobicContact CG-CG 4.36Å; L801-R885 HydrophobicContact CD1-CB 3.93Å; L801-R885 HydrophobicContact CG-CB 4.42Å; L801-F888 HydrophobicContact CD1-CB 3.74Å; L801-F888 HydrophobicContact CD1-CD2 3.89Å; L801-F888 HydrophobicContact CD1-CG 3.91Å
802	A	96.8	Very high	88	Confident	6 Å²	6	32 Å²	32	5%	0.05	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.2	170.1	0	0	0	0	0	114	K524 Y637 L798 L799 N800 F804	K524-A802 WeakPolarHBondContact CE-O 3.42Å; K524-A802 PolarHBondContact NZ-O 3.03Å; Y637-A802 WeakPolarHBondContact OH-CA 3.43Å; Y637-A802 VanDerWaalsContact OH-CB 3.24Å; Y637-A802 WeakPolarHBondContact OH-CB 3.41Å; L798-A802 VanDerWaalsContact O-CB 3.29Å; L798-A802 WeakPolarHBondContact O-CB 3.38Å; L798-A802 PolarHBondContact O-N 3.36Å; L799-A802 WeakPolarHBondContact O-CB 3.35Å; N800-A802 VanDerWaalsContact C-N 3.29Å; N800-A802 PolarHBondContact O-N 3.11Å; A802-F804 HydrophobicContact CB-CD2 4.06Å; A802-F804 HydrophobicContact CB-CE2 3.67Å
803	G	95.5	Very high	85.7	Confident	9 Å²	9	35.8 Å²	35.8	9%	0.093	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	57.2	171.6	0	0	0	0	0	114.3	K524 N800 L801 K805	K524-G803 WeakPolarHBondContact CE-O 3.36Å; N800-G803 PolarHBondContact O-N 3.08Å; L801-G803 PolarHBondContact O-N 3.2Å; G803-K805 PolarHBondContact O-N 3.02Å
804	F	95.7	Very high	83.3	Confident	2 Å²	2	37.8 Å²	37.8	1%	0.009	20%	0.2	C	C	.	.			trans	-64.8	123.4	174.8	-71.7	-96.3	0	0	0	110.8	T452 L453 F455 W475 K524 L799 A802	T452-F804 CarbonylContact C-O 3.51Å; T452-F804 VanDerWaalsContact CA-O 3.28Å; T452-F804 WeakPolarHBondContact CA-O 3.37Å; L453-F804 HydrophobicContact CB-CB 4.32Å; L453-F804 HydrophobicContact CD1-CB 4.1Å; L453-F804 PolarHBondContact N-O 2.87Å; F455-F804 HydrophobicContact CE2-CB 4.25Å; F455-F804 AromaticContact CE2-CD2 3.57Å; F455-F804 HydrophobicContact CE2-CD2 3.57Å; F455-F804 HydrophobicContact CE2-CE2 4.27Å; F455-F804 HydrophobicContact CE2-CG 4.15Å; F455-F804 HydrophobicContact CZ-CB 4.42Å; F455-F804 AromaticContact CZ-CD2 3.72Å; F455-F804 HydrophobicContact CZ-CD2 3.72Å; F455-F804 HydrophobicContact CZ-CE2 4.18Å; F455-F804 HydrophobicContact CZ-CG 4.1Å; W475-F804 HydrophobicContact CH2-CE1 4.39Å; W475-F804 AromaticContact CH2-CZ 3.94Å; W475-F804 HydrophobicContact CH2-CZ 3.94Å; W475-F804 AromaticContact CZ3-CE1 3.97Å; W475-F804 HydrophobicContact CZ3-CE1 3.97Å; W475-F804 AromaticContact CZ3-CZ 3.88Å; W475-F804 HydrophobicContact CZ3-CZ 3.88Å; K524-F804 HydrophobicContact CB-CD1 4.29Å; K524-F804 HydrophobicContact CB-CE1 3.63Å; K524-F804 HydrophobicContact CB-CZ 3.99Å; K524-F804 HydrophobicContact CD-CD1 3.9Å; K524-F804 HydrophobicContact CD-CD2 4.38Å; K524-F804 HydrophobicContact CD-CE1 3.95Å; K524-F804 HydrophobicContact CD-CE2 4.43Å; K524-F804 HydrophobicContact CD-CG 4.12Å; K524-F804 HydrophobicContact CD-CZ 4.22Å; K524-F804 HydrophobicContact CG-CE1 4.35Å; L799-F804 HydrophobicContact CD2-CE2 3.73Å; L799-F804 HydrophobicContact CD2-CZ 4.16Å; L799-F804 WeakPolarHBondContact O-CD2 3.47Å; A802-F804 HydrophobicContact CB-CD2 4.06Å; A802-F804 HydrophobicContact CB-CE2 3.67Å
805	K	93.8	Very high	80.7	Confident	47 Å²	47	42.6 Å²	42.6	20%	0.204	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-111.6	140.2	-178.8	-66.2	169.9	-179.8	175.4	0	109.8	R450 T452 G803 E877	R450-K805 HydrophobicContact CB-CD 4.19Å; R450-K805 HydrophobicContact CB-CG 4.43Å; T452-K805 HydrophobicContact CG2-CG 4.05Å; G803-K805 PolarHBondContact O-N 3.02Å; K805-E877 IonicContact NZ-OE1 3.81Å; K805-E877 PolarHBondContact NZ-OE1 3.37Å
806	I	91.7	Very high	77.7	Confident	23 Å²	23	47 Å²	47	12%	0.118	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-73.9	136.6	173.5	-53.1	-177.4	0	0	0	109.2	L441 R450 L453 L465 Q469 L472	L441-I806 HydrophobicContact CD2-CD1 4.06Å; L441-I806 HydrophobicContact CD2-CG1 4.42Å; R450-I806 PolarHBondContact NH1-O 3.17Å; L453-I806 HydrophobicContact CD1-CG1 4.31Å; L453-I806 HydrophobicContact CD2-CD1 4.03Å; L453-I806 HydrophobicContact CD2-CG1 4.05Å; L453-I806 HydrophobicContact CG-CG1 4.21Å; L465-I806 HydrophobicContact CD1-CD1 3.93Å; Q469-I806 HydrophobicContact CB-CD1 4.16Å; Q469-I806 HydrophobicContact CG-CD1 4.4Å; L472-I806 HydrophobicContact CB-CG2 4.47Å; L472-I806 HydrophobicContact CD1-CG2 3.7Å
807	P	87	Confident	74.9	Confident	18 Å²	18	48.7 Å²	48.7	12%	0.117	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-66	140.8	172.3	-20.4	32.8	0	0	0	112.5	L504 H522 V812	L504-P807 HydrophobicContact CD2-CG 3.66Å; H522-P807 HydrophobicContact CB-CG 3.99Å; P807-V812 HydrophobicContact CB-CG2 4.14Å
808	P	79.9	Confident	72.1	Confident	48 Å²	48	54.2 Å²	54.2	31%	0.312	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-60	157.8	168.5	28.5	-38.1	0	0	0	112.4	E810 E811	P808-E810 VanDerWaalsContact C-N 3.32Å; P808-E810 PolarHBondContact O-N 2.95Å; P808-E811 WeakPolarHBondContact CD-OE2 3.2Å; P808-E811 VanDerWaalsContact CG-CD 3.4Å; P808-E811 HydrophobicContact CG-CG 4.06Å; P808-E811 WeakPolarHBondContact CG-OE2 3.38Å
809	K	66	Low	69.4	Low	135 Å²	135	58.2 Å²	58.2	59%	0.587	35%	0.354	S	S	*	.	H	α-helix	trans	-62.3	-34.9	-171.9	-71.5	-169.9	172.8	-167.4	0	113.5	E468 V812	E468-K809 VanDerWaalsContact CD-NZ 3.35Å; E468-K809 IonicContact OE1-NZ 2.67Å; E468-K809 PolarHBondContact OE1-NZ 3.05Å; E468-K809 VanDerWaalsContact OE2-CE 3.29Å; E468-K809 WeakPolarHBondContact OE2-CE 3.45Å; E468-K809 IonicContact OE2-NZ 3.56Å; E468-K809 PolarHBondContact OE2-NZ 3.4Å; K809-V812 PolarHBondContact O-N 2.73Å
810	E	58.9	Low	66.7	Low	158 Å²	158	63.3 Å²	63.3	74%	0.738	39%	0.389	S	S	*	.	H	α-helix	trans	-65.6	-46.1	-174.6	-70.8	139.6	-142.2	0	0	113.3	P808 V812 V813 S814	P808-E810 VanDerWaalsContact C-N 3.32Å; P808-E810 PolarHBondContact O-N 2.95Å; E810-V812 VanDerWaalsContact C-N 3.26Å; E810-V812 PolarHBondContact O-N 3.43Å; E810-V813 PolarHBondContact O-N 3.03Å; E810-V813 VanDerWaalsContact O-N 3.1Å; E810-S814 PolarHBondContact O-N 3.29Å; E810-S814 VanDerWaalsContact O-N 3.16Å; E810-S814 PolarHBondContact O-OG 2.95Å
811	E	55.6	Low	63.9	Low	76 Å²	76	68.2 Å²	68.2	36%	0.355	42%	0.424	S	S	.	.	H	α-helix	trans	-65.6	-29.9	-179.2	-65.3	166.3	172.3	0	0	112.5	H522 P808 V813 S814 S815	H522-E811 IonicContact CD2-OE2 3.61Å; H522-E811 IonicContact NE2-OE2 2.91Å; P808-E811 WeakPolarHBondContact CD-OE2 3.2Å; P808-E811 VanDerWaalsContact CG-CD 3.4Å; P808-E811 HydrophobicContact CG-CG 4.06Å; P808-E811 WeakPolarHBondContact CG-OE2 3.38Å; E811-V813 VanDerWaalsContact C-N 3.33Å; E811-S814 PolarHBondContact O-N 2.9Å; E811-S815 PolarHBondContact O-N 3.15Å; E811-S815 VanDerWaalsContact O-N 3.15Å; E811-S815 PolarHBondContact O-OG 2.57Å
812	V	53.7	Low	61.1	Low	39 Å²	39	74.1 Å²	74.1	24%	0.236	47%	0.466	C	S	.	.	H	α-helix	trans	-65.5	-38.2	175	179.7	0	0	0	0	110.6	L472 P807 K809 E810 C816	L472-V812 HydrophobicContact CD1-CG2 4.33Å; L472-V812 HydrophobicContact CD2-CG1 4.03Å; L472-V812 HydrophobicContact CD2-CG2 4.02Å; P807-V812 HydrophobicContact CB-CG2 4.14Å; K809-V812 PolarHBondContact O-N 2.73Å; E810-V812 VanDerWaalsContact C-N 3.26Å; E810-V812 PolarHBondContact O-N 3.43Å; V812-C816 PolarHBondContact O-SG 2.83Å
813	V	46.8	Very low	58.2	Low	92 Å²	92	80.6 Å²	80.6	56%	0.558	51%	0.505	S	S	*	.	H	α-helix	trans	-69.4	-47.2	176.4	-179.5	0	0	0	0	110.5	E810 E811 S815 C816 S817	E810-V813 PolarHBondContact O-N 3.03Å; E810-V813 VanDerWaalsContact O-N 3.1Å; E811-V813 VanDerWaalsContact C-N 3.33Å; V813-S815 PolarHBondContact O-N 2.76Å; V813-S815 VanDerWaalsContact O-N 3.15Å; V813-C816 PolarHBondContact O-N 2.79Å; V813-S817 PolarHBondContact O-N 3.04Å; V813-S817 PolarHBondContact O-OG 2.99Å
814	S	45.4	Very low	55.7	Low	85 Å²	85	86 Å²	86	59%	0.594	54%	0.541	S	S	*	.	H	α-helix	trans	-55.7	-33.8	177.8	-55.2	0	0	0	0	113.1	E810 E811 C816	E810-S814 PolarHBondContact O-N 3.29Å; E810-S814 VanDerWaalsContact O-N 3.16Å; E810-S814 PolarHBondContact O-OG 2.95Å; E811-S814 PolarHBondContact O-N 2.9Å; S814-C816 VanDerWaalsContact C-N 3.26Å; S814-C816 PolarHBondContact O-N 3.1Å
815	S	43.3	Very low	52.7	Low	101 Å²	101	90.9 Å²	90.9	71%	0.706	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.8	-10.2	177.2	-58.5	0	0	0	0	114.7	E811 V813	E811-S815 PolarHBondContact O-N 3.15Å; E811-S815 VanDerWaalsContact O-N 3.15Å; E811-S815 PolarHBondContact O-OG 2.57Å; V813-S815 PolarHBondContact O-N 2.76Å; V813-S815 VanDerWaalsContact O-N 3.15Å
816	C	36.2	Very low	50.1	Low	91 Å²	91	97.1 Å²	97.1	62%	0.615	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.6	-25.7	-179.5	-60.3	0	0	0	0	113.2	V812 V813 S814	V812-C816 PolarHBondContact O-SG 2.83Å; V813-C816 PolarHBondContact O-N 2.79Å; S814-C816 VanDerWaalsContact C-N 3.26Å; S814-C816 PolarHBondContact O-N 3.1Å
817	S	37.1	Very low	47.3	Very low	75 Å²	75	104.2 Å²	104.2	52%	0.524	64%	0.643	S	S	.	*			trans	-92.5	2.1	-163.6	-59.8	0	0	0	0	116.1	V813 A819	V813-S817 PolarHBondContact O-N 3.04Å; V813-S817 PolarHBondContact O-OG 2.99Å; S817-A819 PolarHBondContact O-N 3.04Å
818	S	40.6	Very low	45	Very low	118 Å²	118	108 Å²	108	83%	0.825	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.7	23.3	-177.1	-47	0	0	0	0	115.5
819	A	41.8	Very low	42.6	Very low	87 Å²	87	108.5 Å²	108.5	72%	0.719	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-145.7	40	-174.1	0	0	0	0	0	113.5	S817	S817-A819 PolarHBondContact O-N 3.04Å
820	S	40.8	Very low	41.2	Very low	107 Å²	107	109.7 Å²	109.7	75%	0.748	71%	0.711	S	S	*	*	S	Bend	trans	-167.8	154.6	155	-85.4	0	0	0	0	113.4
821	S	37.7	Very low	40.2	Very low	114 Å²	114	111.6 Å²	111.6	80%	0.797	72%	0.717	S	S	*	*			trans	65.2	100.4	160.1	-56.7	0	0	0	0	119.2
822	S	39	Very low	39.3	Very low	125 Å²	125	111.5 Å²	111.5	87%	0.874	74%	0.737	S	S	*	*			trans	-78.4	120.1	155.5	-52.4	0	0	0	0	110.7
823	T	36.3	Very low	38.6	Very low	142 Å²	142	117.9 Å²	117.9	87%	0.871	76%	0.761	S	S	*	*			trans	-147.1	152.2	153.8	41.4	0	0	0	0	110.2
824	S	41.5	Very low	38.3	Very low	122 Å²	122	116.4 Å²	116.4	85%	0.853	76%	0.755	S	S	*	*			trans	-92	127.7	-176.9	52.1	0	0	0	0	112.6
825	S	33.3	Very low	38.2	Very low	106 Å²	106	119.2 Å²	119.2	74%	0.741	76%	0.756	S	S	*	*			trans	-145	131.4	158.4	62.5	0	0	0	0	111	H827	S825-H827 PolarHBondContact O-N 2.95Å
826	L	38.6	Very low	38.8	Very low	177 Å²	177	117.6 Å²	117.6	93%	0.927	75%	0.745	S	S	*	*			trans	-91.8	91.6	179.7	-75.2	166.6	0	0	0	109.7
827	H	33.4	Very low	40.3	Very low	173 Å²	173	119.3 Å²	119.3	80%	0.801	75%	0.748	S	S	*	*			trans	-132.4	123.7	166.9	-76.9	87.8	0	0	0	110.3	S825 G829	S825-H827 PolarHBondContact O-N 2.95Å; H827-G829 PolarHBondContact O-N 3.31Å
828	G	38.4	Very low	42.4	Very low	96 Å²	96	117.4 Å²	117.4	99%	0.99	73%	0.732	S	S	*	*			trans	-76.9	85.5	-177	0	0	0	0	0	112.6
829	G	29.5	Very low	44.8	Very low	59 Å²	59	113.6 Å²	113.6	61%	0.608	71%	0.706	S	S	*	*			trans	-105.5	140.6	169	0	0	0	0	0	112	H827 K831	H827-G829 PolarHBondContact O-N 3.31Å; G829-K831 PolarHBondContact O-N 3.12Å
830	N	37.3	Very low	47.1	Very low	160 Å²	160	113.2 Å²	113.2	86%	0.856	70%	0.702	S	S	*	*			trans	-54.5	103.1	177.5	-90.3	-45.8	0	0	0	111.7
831	K	37.5	Very low	49.4	Very low	198 Å²	198	109.3 Å²	109.3	86%	0.861	67%	0.673	S	S	*	*			trans	-72.9	137.1	165.4	-72.7	-175	176.6	178.4	0	109.2	G829 K833	G829-K831 PolarHBondContact O-N 3.12Å; K831-K833 PolarHBondContact O-N 3.25Å
832	G	36.4	Very low	52.1	Low	74 Å²	74	104.7 Å²	104.7	76%	0.763	64%	0.639	S	S	*	*			trans	-57.2	131.3	-160.7	0	0	0	0	0	115.3	S834	G832-S834 PolarHBondContact O-N 2.71Å
833	K	40.3	Very low	54.7	Low	174 Å²	174	103.9 Å²	103.9	76%	0.757	62%	0.619	S	S	*	*			trans	-76.9	71.5	173.8	-68.7	-174.8	179.1	-178.9	0	111	K831 K835	K831-K833 PolarHBondContact O-N 3.25Å; K833-K835 CarbonylContact C-O 3.58Å; K833-K835 WeakPolarHBondContact CB-O 3.48Å; K833-K835 CarbonylContact O-C 3.54Å; K833-K835 PolarHBondContact O-N 2.93Å
834	S	39.5	Very low	57.4	Low	61 Å²	61	100.9 Å²	100.9	43%	0.427	60%	0.601	S	S	.	*	S	Bend	trans	-59.3	-20	177.3	167.5	0	0	0	0	113.6	E521 G832	E521-S834 WeakPolarHBondContact OE1-CB 3.41Å; E521-S834 PolarHBondContact OE1-OG 3.08Å; G832-S834 PolarHBondContact O-N 2.71Å
835	K	43.6	Very low	59.9	Low	143 Å²	143	95.1 Å²	95.1	62%	0.622	56%	0.561	S	S	*	*	S	Bend	trans	-109.9	134.5	146.5	-77	-175.6	174.3	-177.9	0	108.8	K833 D837	K833-K835 CarbonylContact C-O 3.58Å; K833-K835 WeakPolarHBondContact CB-O 3.48Å; K833-K835 CarbonylContact O-C 3.54Å; K833-K835 PolarHBondContact O-N 2.93Å; K835-D837 PolarHBondContact O-N 2.72Å
836	S	55.1	Low	62.8	Low	67 Å²	67	92.5 Å²	92.5	47%	0.469	53%	0.534	S	S	.	.			trans	-71.9	84.1	152.5	58.6	0	0	0	0	107.7	L838 R873	S836-L838 PolarHBondContact O-N 2.75Å; S836-R873 PolarHBondContact OG-NH1 2.91Å
837	D	67.9	Low	65.5	Low	128 Å²	128	86.8 Å²	86.8	68%	0.684	51%	0.512	S	S	*	.			trans	-57.3	112.7	169.3	-80.5	-39.3	0	0	0	108.3	K835	K835-D837 PolarHBondContact O-N 2.72Å
838	L	82.6	Confident	68.3	Low	34 Å²	34	80.5 Å²	80.5	18%	0.178	48%	0.483	C	S	.	.			trans	-49.7	141.3	-175.1	-58.7	171.4	0	0	0	111	S836 E842 K843 E870	S836-L838 PolarHBondContact O-N 2.75Å; L838-E842 WeakPolarHBondContact CA-OE2 3.45Å; L838-E842 HydrophobicContact CB-CB 4.12Å; L838-K843 HydrophobicContact CB-CD 4.38Å; L838-K843 HydrophobicContact CB-CG 3.82Å; L838-K843 HydrophobicContact CD1-CG 4.42Å; L838-K843 VanDerWaalsContact O-CE 3.27Å; L838-K843 WeakPolarHBondContact O-CE 3.37Å; L838-K843 PolarHBondContact O-NZ 3.29Å; L838-E870 HydrophobicContact CD2-CB 4.49Å; L838-E870 HydrophobicContact CD2-CG 4.37Å; L838-E870 WeakPolarHBondContact CD2-OE1 3.16Å; L838-E870 WeakPolarHBondContact CD2-OE2 3.35Å
839	S	89.3	Confident	70.9	Confident	39 Å²	39	76.2 Å²	76.2	27%	0.273	44%	0.437	S	S	.	.			trans	-60.4	164.4	175.5	76.2	0	0	0	0	111.3	D841 E842 K843	S839-D841 VanDerWaalsContact C-N 3.27Å; S839-D841 VanDerWaalsContact CB-OD1 3.28Å; S839-D841 WeakPolarHBondContact CB-OD1 3.26Å; S839-D841 PolarHBondContact O-N 2.89Å; S839-D841 VanDerWaalsContact OG-CG 3.3Å; S839-D841 PolarHBondContact OG-OD1 3.3Å; S839-E842 PolarHBondContact N-OE2 3.18Å; S839-E842 PolarHBondContact O-N 2.88Å; S839-E842 WeakPolarHBondContact OG-CB 3.44Å; S839-E842 VanDerWaalsContact OG-CG 3.23Å; S839-E842 WeakPolarHBondContact OG-CG 3.16Å; S839-E842 PolarHBondContact OG-N 3.13Å; S839-K843 WeakPolarHBondContact O-CB 3.39Å; S839-K843 WeakPolarHBondContact O-CG 3.39Å; S839-K843 PolarHBondContact O-N 3.32Å
840	A	90.1	Very high	73.9	Confident	78 Å²	78	76.8 Å²	76.8	65%	0.645	43%	0.426	S	S	*	.	H	α-helix	trans	-60.1	-40.9	176.3	0	0	0	0	0	111.2	K843 V844	A840-K843 PolarHBondContact O-N 3.14Å; A840-V844 VanDerWaalsContact O-CG2 3.26Å; A840-V844 WeakPolarHBondContact O-CG2 3.34Å; A840-V844 PolarHBondContact O-N 2.81Å
841	D	90.7	Very high	76.5	Confident	25 Å²	25	72.7 Å²	72.7	13%	0.134	41%	0.414	C	S	.	.	H	α-helix	trans	-74	-34.1	178.4	65.8	-64.6	0	0	0	113.4	S839 V844 K845 M950 W951	S839-D841 VanDerWaalsContact C-N 3.27Å; S839-D841 VanDerWaalsContact CB-OD1 3.28Å; S839-D841 WeakPolarHBondContact CB-OD1 3.26Å; S839-D841 PolarHBondContact O-N 2.89Å; S839-D841 VanDerWaalsContact OG-CG 3.3Å; S839-D841 PolarHBondContact OG-OD1 3.3Å; D841-V844 PolarHBondContact O-N 2.66Å; D841-K845 VanDerWaalsContact O-CB 3.3Å; D841-K845 WeakPolarHBondContact O-CB 3.42Å; D841-K845 PolarHBondContact O-N 2.85Å; D841-M950 WeakPolarHBondContact OD2-CA 3.32Å; D841-W951 HydrophobicContact CB-CB 4.29Å; D841-W951 WeakPolarHBondContact CB-O 3.49Å; D841-W951 PolarHBondContact OD2-N 2.84Å
842	E	93.8	Very high	78.7	Confident	18 Å²	18	67.7 Å²	67.7	8%	0.084	39%	0.394	C	S	.	.	H	α-helix	trans	-61.1	-44.7	170.4	-77.5	171	159.7	0	0	111.3	L838 S839 K845 R846 T868 E870	L838-E842 WeakPolarHBondContact CA-OE2 3.45Å; L838-E842 HydrophobicContact CB-CB 4.12Å; S839-E842 PolarHBondContact N-OE2 3.18Å; S839-E842 PolarHBondContact O-N 2.88Å; S839-E842 WeakPolarHBondContact OG-CB 3.44Å; S839-E842 VanDerWaalsContact OG-CG 3.23Å; S839-E842 WeakPolarHBondContact OG-CG 3.16Å; S839-E842 PolarHBondContact OG-N 3.13Å; E842-K845 PolarHBondContact O-N 2.69Å; E842-R846 WeakPolarHBondContact O-CB 3.4Å; E842-R846 WeakPolarHBondContact O-CD 3.42Å; E842-R846 VanDerWaalsContact O-CG 3.31Å; E842-R846 WeakPolarHBondContact O-CG 3.29Å; E842-R846 PolarHBondContact O-N 3.37Å; E842-T868 HydrophobicContact CG-CG2 3.94Å; E842-E870 VanDerWaalsContact OE1-CB 3.28Å; E842-E870 WeakPolarHBondContact OE1-CB 3.37Å; E842-E870 PolarHBondContact OE1-N 3.36Å
843	K	93.6	Very high	80.4	Confident	107 Å²	107	75.1 Å²	75.1	47%	0.465	40%	0.399	S	S	.	.	H	α-helix	trans	-60.8	-45.3	174.6	-75.1	164.1	171.9	142.2	0	111.7	L838 S839 A840 A847	L838-K843 HydrophobicContact CB-CD 4.38Å; L838-K843 HydrophobicContact CB-CG 3.82Å; L838-K843 HydrophobicContact CD1-CG 4.42Å; L838-K843 VanDerWaalsContact O-CE 3.27Å; L838-K843 WeakPolarHBondContact O-CE 3.37Å; L838-K843 PolarHBondContact O-NZ 3.29Å; S839-K843 WeakPolarHBondContact O-CB 3.39Å; S839-K843 WeakPolarHBondContact O-CG 3.39Å; S839-K843 PolarHBondContact O-N 3.32Å; A840-K843 PolarHBondContact O-N 3.14Å; K843-A847 WeakPolarHBondContact O-CB 3.13Å; K843-A847 PolarHBondContact O-N 3.4Å
844	V	93.3	Very high	82	Confident	80 Å²	80	76.6 Å²	76.6	49%	0.485	40%	0.401	S	S	.	.	H	α-helix	trans	-70.8	-38	179.7	177.2	0	0	0	0	111.7	A840 D841 A847 F848 W951	A840-V844 VanDerWaalsContact O-CG2 3.26Å; A840-V844 WeakPolarHBondContact O-CG2 3.34Å; A840-V844 PolarHBondContact O-N 2.81Å; D841-V844 PolarHBondContact O-N 2.66Å; V844-A847 PolarHBondContact O-N 3.37Å; V844-F848 VanDerWaalsContact O-CB 3.32Å; V844-F848 WeakPolarHBondContact O-CB 3.33Å; V844-F848 PolarHBondContact O-N 2.91Å; V844-W951 HydrophobicContact CG1-CE3 4.25Å; V844-W951 HydrophobicContact CG1-CZ3 3.76Å
845	K	94.3	Very high	83.9	Confident	1 Å²	1	75.4 Å²	75.4	0%	0.004	40%	0.395	C	S	.	.	H	α-helix	trans	-59.5	-51.1	172.8	-174.7	-179.4	-179.7	-171.1	0	110.7	D841 E842 A847 F848 F849 V863 I866 T868 D871 Y909 W951	D841-K845 VanDerWaalsContact O-CB 3.3Å; D841-K845 WeakPolarHBondContact O-CB 3.42Å; D841-K845 PolarHBondContact O-N 2.85Å; E842-K845 PolarHBondContact O-N 2.69Å; K845-A847 VanDerWaalsContact C-N 3.33Å; K845-A847 PolarHBondContact O-N 2.86Å; K845-F848 PolarHBondContact O-N 3.23Å; K845-F849 HydrophobicContact CG-CD2 3.87Å; K845-F849 HydrophobicContact CG-CE2 3.91Å; K845-F849 WeakPolarHBondContact O-CD2 3.31Å; K845-F849 PolarHBondContact O-N 3.29Å; K845-F849 VanDerWaalsContact O-N 3.08Å; K845-V863 PolarHBondContact NZ-O 3.36Å; K845-I866 PolarHBondContact NZ-O 2.81Å; K845-T868 HydrophobicContact CD-CG2 3.87Å; K845-D871 IonicContact NZ-OD2 3.24Å; K845-D871 PolarHBondContact NZ-OD2 3.41Å; K845-Y909 HydrophobicContact CD-CE2 4.46Å; K845-Y909 VanDerWaalsContact CD-OH 3.3Å; K845-Y909 WeakPolarHBondContact CD-OH 3.33Å; K845-Y909 WeakPolarHBondContact CE-OH 3.19Å; K845-Y909 HydrophobicContact CG-CE2 4.22Å; K845-Y909 PolarHBondContact NZ-OH 3.5Å; K845-Y909 VanDerWaalsContact NZ-OH 3.07Å; K845-W951 HydrophobicContact CB-CB 3.98Å; K845-W951 HydrophobicContact CB-CD2 3.73Å; K845-W951 HydrophobicContact CB-CE3 4.13Å; K845-W951 HydrophobicContact CB-CG 3.66Å; K845-W951 HydrophobicContact CD-CB 4.17Å; K845-W951 HydrophobicContact CD-CG 3.82Å; K845-W951 HydrophobicContact CG-CB 4.36Å; K845-W951 HydrophobicContact CG-CD2 3.96Å; K845-W951 HydrophobicContact CG-CG 3.72Å
846	R	94.5	Very high	85.9	Confident	51 Å²	51	73 Å²	73	19%	0.192	39%	0.389	C	S	.	.	H	α-helix	trans	-53.2	-49.4	174.5	-80.3	159.3	157.7	-100.7	3.4	111.3	E842 L850 E870 Y909	E842-R846 WeakPolarHBondContact O-CB 3.4Å; E842-R846 WeakPolarHBondContact O-CD 3.42Å; E842-R846 VanDerWaalsContact O-CG 3.31Å; E842-R846 WeakPolarHBondContact O-CG 3.29Å; E842-R846 PolarHBondContact O-N 3.37Å; R846-L850 VanDerWaalsContact O-CB 3.3Å; R846-L850 WeakPolarHBondContact O-CB 3.45Å; R846-L850 WeakPolarHBondContact O-CD1 3.38Å; R846-L850 WeakPolarHBondContact O-CG 3.28Å; R846-L850 PolarHBondContact O-N 3.02Å; R846-L850 VanDerWaalsContact O-N 3.11Å; R846-E870 IonicContact CZ-OE1 3.24Å; R846-E870 IonicContact CZ-OE2 2.72Å; R846-E870 IonicContact NE-OE2 2.65Å; R846-E870 PolarHBondContact NE-OE2 2.77Å; R846-E870 IonicContact NH2-OE1 2.84Å; R846-E870 PolarHBondContact NH2-OE1 3.44Å; R846-E870 IonicContact NH2-OE2 3.52Å; R846-E870 PolarHBondContact NH2-OE2 3.42Å; R846-Y909 HydrophobicContact CB-CD2 4.48Å; R846-Y909 HydrophobicContact CB-CG 4.26Å; R846-Y909 HydrophobicContact CG-CD1 3.43Å; R846-Y909 VanDerWaalsContact CG-CD1 3.43Å; R846-Y909 HydrophobicContact CG-CD2 4.08Å; R846-Y909 HydrophobicContact CG-CE1 3.89Å; R846-Y909 HydrophobicContact CG-CE2 4.46Å; R846-Y909 HydrophobicContact CG-CG 3.56Å
847	A	93.7	Very high	87.4	Confident	56 Å²	56	74.4 Å²	74.4	46%	0.463	39%	0.388	S	S	.	.	H	α-helix	trans	-63.5	-40.7	178.4	0	0	0	0	0	113	K843 V844 K845 L850 A851	K843-A847 WeakPolarHBondContact O-CB 3.13Å; K843-A847 PolarHBondContact O-N 3.4Å; V844-A847 PolarHBondContact O-N 3.37Å; K845-A847 VanDerWaalsContact C-N 3.33Å; K845-A847 PolarHBondContact O-N 2.86Å; A847-L850 PolarHBondContact O-N 2.81Å; A847-A851 VanDerWaalsContact O-CB 3.27Å; A847-A851 WeakPolarHBondContact O-CB 3.1Å; A847-A851 PolarHBondContact O-N 2.85Å
848	F	93.3	Very high	88.4	Confident	42 Å²	42	74.6 Å²	74.6	18%	0.184	39%	0.389	C	S	.	.	H	α-helix	trans	-61.2	-50.6	179.3	176.3	-99.3	0	0	0	112.2	V844 K845 L850 A851 F859 W951 K953 C956	V844-F848 VanDerWaalsContact O-CB 3.32Å; V844-F848 WeakPolarHBondContact O-CB 3.33Å; V844-F848 PolarHBondContact O-N 2.91Å; K845-F848 PolarHBondContact O-N 3.23Å; F848-L850 VanDerWaalsContact C-N 3.32Å; F848-L850 PolarHBondContact O-N 3.26Å; F848-A851 PolarHBondContact O-N 3.31Å; F848-F859 HydrophobicContact CD1-CZ 4.19Å; F848-F859 AromaticContact CE1-CE2 3.67Å; F848-F859 HydrophobicContact CE1-CE2 3.67Å; F848-F859 AromaticContact CE1-CZ 3.67Å; F848-F859 HydrophobicContact CE1-CZ 3.67Å; F848-F859 AromaticContact CZ-CE2 3.76Å; F848-F859 HydrophobicContact CZ-CE2 3.76Å; F848-F859 HydrophobicContact CZ-CZ 4.1Å; F848-W951 HydrophobicContact CB-CH2 3.71Å; F848-W951 HydrophobicContact CB-CZ2 4.15Å; F848-W951 HydrophobicContact CB-CZ3 4.38Å; F848-W951 AromaticContact CD1-CH2 3.78Å; F848-W951 HydrophobicContact CD1-CH2 3.78Å; F848-W951 AromaticContact CD1-CZ2 3.47Å; F848-W951 HydrophobicContact CD1-CZ2 3.47Å; F848-W951 VanDerWaalsContact CD1-CZ2 3.47Å; F848-W951 AromaticContact CD2-CH2 3.86Å; F848-W951 HydrophobicContact CD2-CH2 3.86Å; F848-W951 HydrophobicContact CD2-CZ2 4.34Å; F848-W951 HydrophobicContact CE1-CH2 4.33Å; F848-W951 AromaticContact CE1-CZ2 3.86Å; F848-W951 HydrophobicContact CE1-CZ2 3.86Å; F848-W951 HydrophobicContact CE2-CH2 4.41Å; F848-W951 AromaticContact CG-CH2 3.5Å; F848-W951 HydrophobicContact CG-CH2 3.5Å; F848-W951 AromaticContact CG-CZ2 3.73Å; F848-W951 HydrophobicContact CG-CZ2 3.73Å; F848-W951 HydrophobicContact CZ-CZ2 4.44Å; F848-K953 HydrophobicContact CD2-CD 4.39Å; F848-K953 HydrophobicContact CD2-CG 4.34Å; F848-K953 HydrophobicContact CE2-CD 4.43Å; F848-K953 HydrophobicContact CE2-CG 4.14Å; F848-C956 HydrophobicContact CZ-CB 4.38Å
849	F	93.2	Very high	88.8	Confident	6 Å²	6	74.5 Å²	74.5	3%	0.026	39%	0.387	C	S	.	.	H	α-helix	trans	-69.8	-26.7	178.3	-78.1	-79.4	0	0	0	113.4	K845 F859 V863 Y909	K845-F849 HydrophobicContact CG-CD2 3.87Å; K845-F849 HydrophobicContact CG-CE2 3.91Å; K845-F849 WeakPolarHBondContact O-CD2 3.31Å; K845-F849 PolarHBondContact O-N 3.29Å; K845-F849 VanDerWaalsContact O-N 3.08Å; F849-F859 HydrophobicContact CD1-CD1 4.33Å; F849-F859 AromaticContact CD1-CE1 3.64Å; F849-F859 HydrophobicContact CD1-CE1 3.64Å; F849-F859 HydrophobicContact CD1-CZ 4.1Å; F849-F859 HydrophobicContact CE1-CD1 4.37Å; F849-F859 AromaticContact CE1-CE1 3.97Å; F849-F859 HydrophobicContact CE1-CE1 3.97Å; F849-F859 HydrophobicContact CE1-CZ 4.25Å; F849-F859 WeakPolarHBondContact CE1-O 3.44Å; F849-V863 HydrophobicContact CD1-CB 4.23Å; F849-V863 HydrophobicContact CD1-CG2 4.33Å; F849-V863 HydrophobicContact CD2-CG2 4.1Å; F849-V863 HydrophobicContact CE1-CB 3.83Å; F849-V863 HydrophobicContact CE1-CG2 4.28Å; F849-V863 HydrophobicContact CE2-CB 4.29Å; F849-V863 HydrophobicContact CE2-CG2 4.06Å; F849-V863 HydrophobicContact CG-CG2 4.26Å; F849-V863 VanDerWaalsContact CZ-CA 3.46Å; F849-V863 HydrophobicContact CZ-CB 3.88Å; F849-V863 HydrophobicContact CZ-CG2 4.16Å; F849-Y909 HydrophobicContact CB-CD2 4.07Å; F849-Y909 HydrophobicContact CB-CE2 4.3Å; F849-Y909 HydrophobicContact CD2-CE2 4.06Å; F849-Y909 HydrophobicContact CG-CE2 4.39Å
850	L	93.1	Very high	88.8	Confident	70 Å²	70	74 Å²	74	37%	0.366	38%	0.381	S	S	.	.	H	α-helix	trans	-84.8	-22.3	178	-69	173.8	0	0	0	114.2	R846 A847 F848 P907	R846-L850 VanDerWaalsContact O-CB 3.3Å; R846-L850 WeakPolarHBondContact O-CB 3.45Å; R846-L850 WeakPolarHBondContact O-CD1 3.38Å; R846-L850 WeakPolarHBondContact O-CG 3.28Å; R846-L850 PolarHBondContact O-N 3.02Å; R846-L850 VanDerWaalsContact O-N 3.11Å; A847-L850 PolarHBondContact O-N 2.81Å; F848-L850 VanDerWaalsContact C-N 3.32Å; F848-L850 PolarHBondContact O-N 3.26Å; L850-P907 HydrophobicContact CD2-CB 3.77Å; L850-P907 WeakPolarHBondContact CD2-O 3.46Å
851	A	90.4	Very high	88.9	Confident	75 Å²	75	72.1 Å²	72.1	62%	0.62	36%	0.364	S	S	*	.	H	α-helix	trans	-76	-23	178.5	0	0	0	0	0	113.5	A847 F848 R853	A847-A851 VanDerWaalsContact O-CB 3.27Å; A847-A851 WeakPolarHBondContact O-CB 3.1Å; A847-A851 PolarHBondContact O-N 2.85Å; F848-A851 PolarHBondContact O-N 3.31Å; A851-R853 PolarHBondContact O-N 3.1Å
852	Q	85	Confident	89.1	Confident	93 Å²	93	71.9 Å²	71.9	44%	0.435	36%	0.364	S	S	.	.			trans	-77.2	93.4	-172.9	-168.4	66.3	5.2	0	0	111.8	Y854 A855 F859	Q852-Y854 VanDerWaalsContact C-N 3.27Å; Q852-Y854 PolarHBondContact NE2-O 2.84Å; Q852-Y854 PolarHBondContact O-N 3.43Å; Q852-A855 HydrophobicContact CB-CB 4.33Å; Q852-A855 HydrophobicContact CG-CB 3.92Å; Q852-F859 HydrophobicContact CB-CE1 3.71Å; Q852-F859 HydrophobicContact CB-CZ 3.74Å; Q852-F859 HydrophobicContact CG-CD1 4.17Å; Q852-F859 HydrophobicContact CG-CE1 3.75Å; Q852-F859 HydrophobicContact CG-CE2 4.24Å; Q852-F859 HydrophobicContact CG-CZ 3.8Å
853	R	71.4	Confident	89.1	Confident	230 Å²	230	71 Å²	71	87%	0.868	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-31	-178.5	-70.9	-174	175.2	-175.9	-0.7	114.6	A851	A851-R853 PolarHBondContact O-N 3.1Å
854	Y	73.9	Confident	89.2	Confident	205 Å²	205	66.5 Å²	66.5	80%	0.804	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.4	74.3	178	-57.7	-75.2	0	0	0	108.1	Q852	Q852-Y854 VanDerWaalsContact C-N 3.27Å; Q852-Y854 PolarHBondContact NE2-O 2.84Å; Q852-Y854 PolarHBondContact O-N 3.43Å
855	A	79.3	Confident	89.2	Confident	36 Å²	36	66.9 Å²	66.9	30%	0.298	34%	0.34	S	S	.	.			trans	-84.6	119.8	171	0	0	0	0	0	109	Q852 F859 L860	Q852-A855 HydrophobicContact CB-CB 4.33Å; Q852-A855 HydrophobicContact CG-CB 3.92Å; A855-F859 HydrophobicContact CB-CD1 3.61Å; A855-F859 HydrophobicContact CB-CE1 4.06Å; A855-F859 HydrophobicContact CB-CG 4.49Å; A855-L860 HydrophobicContact CB-CD1 4.49Å; A855-L860 HydrophobicContact CB-CD2 3.7Å; A855-L860 HydrophobicContact CB-CG 3.9Å
856	D	86.2	Confident	89.2	Confident	91 Å²	91	68 Å²	68	49%	0.487	35%	0.346	S	S	.	.			trans	-76.5	172.3	165.8	58	63.9	0	0	0	111.3	D858 F859 L860	D856-D858 VanDerWaalsContact C-N 3.32Å; D856-D858 PolarHBondContact O-N 2.8Å; D856-D858 PolarHBondContact OD1-N 3.22Å; D856-D858 VanDerWaalsContact OD1-N 3.13Å; D856-F859 WeakPolarHBondContact OD1-CB 3.43Å; D856-F859 PolarHBondContact OD1-N 2.76Å; D856-L860 WeakPolarHBondContact O-CG 3.48Å; D856-L860 PolarHBondContact O-N 3.03Å
857	Q	87.1	Confident	89.3	Confident	98 Å²	98	66 Å²	66	46%	0.458	34%	0.339	S	S	.	.	H	α-helix	trans	-66.2	-33.9	-176.3	-172	69.8	26	0	0	112.4	L860 S861	Q857-L860 PolarHBondContact O-N 3.11Å; Q857-S861 WeakPolarHBondContact O-CB 3.17Å; Q857-S861 PolarHBondContact O-N 2.93Å
858	D	87.4	Confident	89.4	Confident	131 Å²	131	63.4 Å²	63.4	70%	0.701	32%	0.317	S	S	*	.	H	α-helix	trans	-71.1	-43.8	-178.6	-67.1	-30.1	0	0	0	110.4	D856 L860 S861 S862	D856-D858 VanDerWaalsContact C-N 3.32Å; D856-D858 PolarHBondContact O-N 2.8Å; D856-D858 PolarHBondContact OD1-N 3.22Å; D856-D858 VanDerWaalsContact OD1-N 3.13Å; D858-L860 PolarHBondContact O-N 2.92Å; D858-S861 PolarHBondContact O-N 2.99Å; D858-S861 PolarHBondContact O-OG 2.77Å; D858-S862 PolarHBondContact O-N 2.82Å
859	F	90.6	Very high	89.5	Confident	32 Å²	32	62.1 Å²	62.1	14%	0.14	31%	0.313	C	S	.	.	H	α-helix	trans	-55.8	-49.6	169.2	177.2	-86.7	0	0	0	111.2	F848 F849 Q852 A855 D856 S861 S862	F848-F859 HydrophobicContact CD1-CZ 4.19Å; F848-F859 AromaticContact CE1-CE2 3.67Å; F848-F859 HydrophobicContact CE1-CE2 3.67Å; F848-F859 AromaticContact CE1-CZ 3.67Å; F848-F859 HydrophobicContact CE1-CZ 3.67Å; F848-F859 AromaticContact CZ-CE2 3.76Å; F848-F859 HydrophobicContact CZ-CE2 3.76Å; F848-F859 HydrophobicContact CZ-CZ 4.1Å; F849-F859 HydrophobicContact CD1-CD1 4.33Å; F849-F859 AromaticContact CD1-CE1 3.64Å; F849-F859 HydrophobicContact CD1-CE1 3.64Å; F849-F859 HydrophobicContact CD1-CZ 4.1Å; F849-F859 HydrophobicContact CE1-CD1 4.37Å; F849-F859 AromaticContact CE1-CE1 3.97Å; F849-F859 HydrophobicContact CE1-CE1 3.97Å; F849-F859 HydrophobicContact CE1-CZ 4.25Å; F849-F859 WeakPolarHBondContact CE1-O 3.44Å; Q852-F859 HydrophobicContact CB-CE1 3.71Å; Q852-F859 HydrophobicContact CB-CZ 3.74Å; Q852-F859 HydrophobicContact CG-CD1 4.17Å; Q852-F859 HydrophobicContact CG-CE1 3.75Å; Q852-F859 HydrophobicContact CG-CE2 4.24Å; Q852-F859 HydrophobicContact CG-CZ 3.8Å; A855-F859 HydrophobicContact CB-CD1 3.61Å; A855-F859 HydrophobicContact CB-CE1 4.06Å; A855-F859 HydrophobicContact CB-CG 4.49Å; D856-F859 WeakPolarHBondContact OD1-CB 3.43Å; D856-F859 PolarHBondContact OD1-N 2.76Å; F859-S861 VanDerWaalsContact C-N 3.3Å; F859-S861 PolarHBondContact O-N 2.69Å; F859-S862 WeakPolarHBondContact O-CB 3.24Å; F859-S862 PolarHBondContact O-N 3.16Å; F859-S862 PolarHBondContact O-OG 3.44Å
860	L	91.1	Very high	89.5	Confident	29 Å²	29	63 Å²	63	15%	0.152	32%	0.317	C	S	.	.	H	α-helix	trans	-60.9	-39.5	178.5	-68.6	177	0	0	0	111.8	A855 D856 Q857 D858 S862 V863 I912 Q916	A855-L860 HydrophobicContact CB-CD1 4.49Å; A855-L860 HydrophobicContact CB-CD2 3.7Å; A855-L860 HydrophobicContact CB-CG 3.9Å; D856-L860 WeakPolarHBondContact O-CG 3.48Å; D856-L860 PolarHBondContact O-N 3.03Å; Q857-L860 PolarHBondContact O-N 3.11Å; D858-L860 PolarHBondContact O-N 2.92Å; L860-S862 PolarHBondContact O-N 2.99Å; L860-V863 VanDerWaalsContact O-CB 3.31Å; L860-V863 WeakPolarHBondContact O-CB 3.28Å; L860-V863 WeakPolarHBondContact O-CG1 3.5Å; L860-V863 PolarHBondContact O-N 2.84Å; L860-V863 VanDerWaalsContact O-N 3.13Å; L860-I912 HydrophobicContact CD2-CG2 3.88Å; L860-Q916 HydrophobicContact CB-CG 4.18Å
861	S	91.8	Very high	89.7	Confident	39 Å²	39	59.7 Å²	59.7	27%	0.273	30%	0.3	S	S	.	.	H	α-helix	trans	-61.7	-30.7	179.6	82.4	0	0	0	0	113.2	Q857 D858 F859 V863 L864	Q857-S861 WeakPolarHBondContact O-CB 3.17Å; Q857-S861 PolarHBondContact O-N 2.93Å; D858-S861 PolarHBondContact O-N 2.99Å; D858-S861 PolarHBondContact O-OG 2.77Å; F859-S861 VanDerWaalsContact C-N 3.3Å; F859-S861 PolarHBondContact O-N 2.69Å; S861-V863 PolarHBondContact O-N 3.15Å; S861-L864 PolarHBondContact O-N 3.42Å; S861-L864 VanDerWaalsContact O-N 3.08Å
862	S	93.8	Very high	90	Very high	19 Å²	19	56.1 Å²	56.1	13%	0.133	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-63.9	-10.9	177.4	78.1	0	0	0	0	114.1	D858 F859 L860 L864 D865	D858-S862 PolarHBondContact O-N 2.82Å; F859-S862 WeakPolarHBondContact O-CB 3.24Å; F859-S862 PolarHBondContact O-N 3.16Å; F859-S862 PolarHBondContact O-OG 3.44Å; L860-S862 PolarHBondContact O-N 2.99Å; S862-L864 PolarHBondContact O-N 3.32Å; S862-L864 VanDerWaalsContact O-N 3.1Å; S862-D865 WeakPolarHBondContact CA-OD2 3.47Å; S862-D865 WeakPolarHBondContact CB-OD2 3.2Å; S862-D865 WeakPolarHBondContact O-CB 3.41Å; S862-D865 PolarHBondContact O-N 2.86Å
863	V	95.2	Very high	90.5	Very high	0 Å²	0	55 Å²	55	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-57.4	-23.2	169.6	80.5	0	0	0	0	112.2	K845 F849 L860 S861 Y909 L913 Q916	K845-V863 PolarHBondContact NZ-O 3.36Å; F849-V863 HydrophobicContact CD1-CB 4.23Å; F849-V863 HydrophobicContact CD1-CG2 4.33Å; F849-V863 HydrophobicContact CD2-CG2 4.1Å; F849-V863 HydrophobicContact CE1-CB 3.83Å; F849-V863 HydrophobicContact CE1-CG2 4.28Å; F849-V863 HydrophobicContact CE2-CB 4.29Å; F849-V863 HydrophobicContact CE2-CG2 4.06Å; F849-V863 HydrophobicContact CG-CG2 4.26Å; F849-V863 VanDerWaalsContact CZ-CA 3.46Å; F849-V863 HydrophobicContact CZ-CB 3.88Å; F849-V863 HydrophobicContact CZ-CG2 4.16Å; L860-V863 VanDerWaalsContact O-CB 3.31Å; L860-V863 WeakPolarHBondContact O-CB 3.28Å; L860-V863 WeakPolarHBondContact O-CG1 3.5Å; L860-V863 PolarHBondContact O-N 2.84Å; L860-V863 VanDerWaalsContact O-N 3.13Å; S861-V863 PolarHBondContact O-N 3.15Å; V863-Y909 HydrophobicContact CG2-CE2 3.65Å; V863-L913 HydrophobicContact CG1-CD1 4.4Å; V863-L913 HydrophobicContact CG2-CD1 4.21Å; V863-Q916 HydrophobicContact CG1-CB 3.93Å; V863-Q916 HydrophobicContact CG1-CG 4.05Å
864	L	95.1	Very high	91.7	Very high	13 Å²	13	45 Å²	45	7%	0.068	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-94.4	-4.2	179.1	-56	-178.7	0	0	0	114.5	S861 S862 L867 L913 Q916 W917 K920	S861-L864 PolarHBondContact O-N 3.42Å; S861-L864 VanDerWaalsContact O-N 3.08Å; S862-L864 PolarHBondContact O-N 3.32Å; S862-L864 VanDerWaalsContact O-N 3.1Å; L864-L867 HydrophobicContact CD2-CD2 3.97Å; L864-L913 HydrophobicContact CD2-CD1 3.89Å; L864-Q916 HydrophobicContact CD1-CB 4.18Å; L864-Q916 HydrophobicContact CG-CB 4.36Å; L864-W917 HydrophobicContact CD1-CE3 4.42Å; L864-W917 HydrophobicContact CD2-CB 4.48Å; L864-W917 HydrophobicContact CD2-CE3 4.19Å; L864-K920 HydrophobicContact CD1-CB 4.08Å; L864-K920 HydrophobicContact CD1-CD 3.57Å; L864-K920 HydrophobicContact CD1-CG 4.49Å
865	D	93.8	Very high	92.8	Very high	88 Å²	88	35.2 Å²	35.2	47%	0.471	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75	-29.9	-176.7	-69.6	-16.3	0	0	0	112.3	S862 R959	S862-D865 WeakPolarHBondContact CA-OD2 3.47Å; S862-D865 WeakPolarHBondContact CB-OD2 3.2Å; S862-D865 WeakPolarHBondContact O-CB 3.41Å; S862-D865 PolarHBondContact O-N 2.86Å; D865-R959 IonicContact OD2-NH1 2.72Å
866	I	93.9	Very high	93.6	Very high	24 Å²	24	33.5 Å²	33.5	12%	0.123	17%	0.174	C	C	.	.	S	Bend	trans	-132.2	102.8	172.1	-63	173.5	0	0	0	107.6	K845 W951 R955	K845-I866 PolarHBondContact NZ-O 2.81Å; I866-W951 HydrophobicContact CG2-CB 4.45Å; I866-R955 HydrophobicContact CD1-CB 4.1Å
867	L	95.6	Very high	94.1	Very high	8 Å²	8	30.9 Å²	30.9	4%	0.042	16%	0.159	C	C	.	.			trans	-86.1	120.8	174.9	-61.2	-179.3	0	0	0	110.4	L864 D871 V872 L875 L913 F931 L935 H949	L864-L867 HydrophobicContact CD2-CD2 3.97Å; L867-D871 HydrophobicContact CB-CB 4.16Å; L867-D871 HydrophobicContact CD2-CB 4.06Å; L867-V872 HydrophobicContact CB-CG2 3.76Å; L867-V872 HydrophobicContact CD1-CG2 4.38Å; L867-L875 HydrophobicContact CD1-CD1 3.88Å; L867-L875 HydrophobicContact CD2-CD1 3.8Å; L867-L875 HydrophobicContact CG-CD1 4.47Å; L867-L913 HydrophobicContact CD2-CD1 4.3Å; L867-F931 HydrophobicContact CD1-CE1 3.84Å; L867-L935 HydrophobicContact CD1-CD1 4.09Å; L867-H949 PolarHBondContact O-ND1 2.93Å
868	T	95.6	Very high	94.5	Very high	2 Å²	2	26.3 Å²	26.3	1%	0.012	14%	0.138	C	C	.	.			trans	-77.4	168.7	175.3	70.1	0	0	0	0	111.9	E842 K845 E870 D871 V872 W951	E842-T868 HydrophobicContact CG-CG2 3.94Å; K845-T868 HydrophobicContact CD-CG2 3.87Å; T868-E870 VanDerWaalsContact C-N 3.3Å; T868-E870 PolarHBondContact O-N 2.97Å; T868-D871 PolarHBondContact N-OD2 3.13Å; T868-D871 PolarHBondContact O-N 3.46Å; T868-D871 VanDerWaalsContact O-N 3.07Å; T868-D871 VanDerWaalsContact OG1-CG 3.26Å; T868-D871 PolarHBondContact OG1-N 2.79Å; T868-D871 PolarHBondContact OG1-OD2 2.98Å; T868-V872 WeakPolarHBondContact O-CG2 3.31Å; T868-V872 PolarHBondContact O-N 2.7Å; T868-W951 HydrophobicContact CG2-CB 4.34Å
869	P	95.3	Very high	94.9	Very high	15 Å²	15	20.2 Å²	20.2	10%	0.097	11%	0.105	C	C	.	.	H	α-helix	trans	-50.4	-43.1	171	-32.8	40.3	0	0	0	114.7	R873 I940	P869-R873 WeakPolarHBondContact O-CB 3.04Å; P869-R873 PolarHBondContact O-N 2.75Å; P869-I940 WeakPolarHBondContact CA-O 3.18Å; P869-I940 WeakPolarHBondContact CB-O 3.24Å
870	E	94.2	Very high	95.1	Very high	25 Å²	25	18.9 Å²	18.9	12%	0.117	10%	0.099	C	C	.	.	H	α-helix	trans	-64.3	-46.6	172.4	-173.6	-175.5	-142.9	0	0	112.1	L838 E842 R846 T868 V872 R873 V874	L838-E870 HydrophobicContact CD2-CB 4.49Å; L838-E870 HydrophobicContact CD2-CG 4.37Å; L838-E870 WeakPolarHBondContact CD2-OE1 3.16Å; L838-E870 WeakPolarHBondContact CD2-OE2 3.35Å; E842-E870 VanDerWaalsContact OE1-CB 3.28Å; E842-E870 WeakPolarHBondContact OE1-CB 3.37Å; E842-E870 PolarHBondContact OE1-N 3.36Å; R846-E870 IonicContact CZ-OE1 3.24Å; R846-E870 IonicContact CZ-OE2 2.72Å; R846-E870 IonicContact NE-OE2 2.65Å; R846-E870 PolarHBondContact NE-OE2 2.77Å; R846-E870 IonicContact NH2-OE1 2.84Å; R846-E870 PolarHBondContact NH2-OE1 3.44Å; R846-E870 IonicContact NH2-OE2 3.52Å; R846-E870 PolarHBondContact NH2-OE2 3.42Å; T868-E870 VanDerWaalsContact C-N 3.3Å; T868-E870 PolarHBondContact O-N 2.97Å; E870-V872 PolarHBondContact O-N 2.88Å; E870-R873 WeakPolarHBondContact O-CB 3.26Å; E870-R873 PolarHBondContact O-N 2.71Å; E870-R873 VanDerWaalsContact O-N 3.14Å; E870-V874 HydrophobicContact CG-CG2 4.04Å; E870-V874 WeakPolarHBondContact O-CG2 3.38Å; E870-V874 PolarHBondContact O-N 3.07Å
871	D	96.6	Very high	95.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-57.5	-49.8	-178.2	-63.8	-37.8	0	0	0	110.9	K845 L867 T868 R873 V874 L875 Y909 L913	K845-D871 IonicContact NZ-OD2 3.24Å; K845-D871 PolarHBondContact NZ-OD2 3.41Å; L867-D871 HydrophobicContact CB-CB 4.16Å; L867-D871 HydrophobicContact CD2-CB 4.06Å; T868-D871 PolarHBondContact N-OD2 3.13Å; T868-D871 PolarHBondContact O-N 3.46Å; T868-D871 VanDerWaalsContact O-N 3.07Å; T868-D871 VanDerWaalsContact OG1-CG 3.26Å; T868-D871 PolarHBondContact OG1-N 2.79Å; T868-D871 PolarHBondContact OG1-OD2 2.98Å; D871-R873 VanDerWaalsContact C-N 3.29Å; D871-R873 PolarHBondContact O-N 2.64Å; D871-V874 PolarHBondContact O-N 3.24Å; D871-L875 VanDerWaalsContact O-CB 3.29Å; D871-L875 WeakPolarHBondContact O-CB 3.47Å; D871-L875 WeakPolarHBondContact O-CD1 3.37Å; D871-L875 WeakPolarHBondContact O-CG 3.48Å; D871-L875 PolarHBondContact O-N 3.38Å; D871-Y909 VanDerWaalsContact CG-OH 3.29Å; D871-Y909 VanDerWaalsContact OD1-CE1 3.29Å; D871-Y909 WeakPolarHBondContact OD1-CE1 3.32Å; D871-Y909 PolarHBondContact OD1-OH 2.81Å; D871-Y909 PolarHBondContact OD2-OH 2.67Å; D871-L913 HydrophobicContact CB-CD1 4.11Å; D871-L913 HydrophobicContact CB-CD2 3.93Å; D871-L913 WeakPolarHBondContact OD1-CD2 2.99Å
872	V	96.8	Very high	95.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-59.8	-40.9	178.5	-179.3	0	0	0	0	110.8	L867 T868 E870 A876 L932 L935 I940 H941	L867-V872 HydrophobicContact CB-CG2 3.76Å; L867-V872 HydrophobicContact CD1-CG2 4.38Å; T868-V872 WeakPolarHBondContact O-CG2 3.31Å; T868-V872 PolarHBondContact O-N 2.7Å; E870-V872 PolarHBondContact O-N 2.88Å; V872-A876 WeakPolarHBondContact O-CB 3.46Å; V872-A876 PolarHBondContact O-N 2.57Å; V872-L932 HydrophobicContact CG1-CD2 4.36Å; V872-L935 HydrophobicContact CG1-CB 3.85Å; V872-L935 HydrophobicContact CG1-CD1 4.35Å; V872-L935 HydrophobicContact CG2-CB 4.43Å; V872-L935 HydrophobicContact CG2-CD1 3.74Å; V872-I940 HydrophobicContact CG2-CG2 3.98Å; V872-H941 HydrophobicContact CB-CB 4.44Å; V872-H941 HydrophobicContact CG1-CB 4.12Å
873	R	95.6	Very high	95.6	Very high	71 Å²	71	20.7 Å²	20.7	27%	0.268	10%	0.104	S	C	.	.	H	α-helix	trans	-64.2	-46.5	178.1	-168.2	-171.8	-58.3	154.8	6.8	112.2	S836 P869 E870 D871 E877 H941	S836-R873 PolarHBondContact OG-NH1 2.91Å; P869-R873 WeakPolarHBondContact O-CB 3.04Å; P869-R873 PolarHBondContact O-N 2.75Å; E870-R873 WeakPolarHBondContact O-CB 3.26Å; E870-R873 PolarHBondContact O-N 2.71Å; E870-R873 VanDerWaalsContact O-N 3.14Å; D871-R873 VanDerWaalsContact C-N 3.29Å; D871-R873 PolarHBondContact O-N 2.64Å; R873-E877 WeakPolarHBondContact O-CB 3.3Å; R873-E877 WeakPolarHBondContact O-CG 3.42Å; R873-E877 PolarHBondContact O-N 3.26Å; R873-H941 HydrophobicContact CB-CB 4.01Å; R873-H941 HydrophobicContact CG-CB 4.5Å; R873-H941 VanDerWaalsContact CZ-O 3.28Å; R873-H941 PolarHBondContact NE-O 3.39Å; R873-H941 PolarHBondContact NH2-O 2.79Å
874	V	96.3	Very high	95.6	Very high	19 Å²	19	22.1 Å²	22.1	12%	0.115	11%	0.109	C	C	.	.	H	α-helix	trans	-69.7	-38.2	-178.7	173.2	0	0	0	0	111.2	P643 E870 D871 S878 L910 L914	P643-V874 HydrophobicContact CG-CG1 3.91Å; E870-V874 HydrophobicContact CG-CG2 4.04Å; E870-V874 WeakPolarHBondContact O-CG2 3.38Å; E870-V874 PolarHBondContact O-N 3.07Å; D871-V874 PolarHBondContact O-N 3.24Å; V874-S878 VanDerWaalsContact O-CB 3.26Å; V874-S878 WeakPolarHBondContact O-CB 3.42Å; V874-S878 PolarHBondContact O-N 2.61Å; V874-L910 HydrophobicContact CB-CD2 4.46Å; V874-L910 HydrophobicContact CG1-CD2 4.29Å; V874-L910 HydrophobicContact CG2-CD1 4.21Å; V874-L910 HydrophobicContact CG2-CD2 4.16Å; V874-L914 HydrophobicContact CG1-CD2 4.18Å
875	L	97.3	Very high	95.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.3	-49.5	174.1	-70.9	170.7	0	0	0	111.4	L867 D871 S878 E879 L913 L914 W917 L932	L867-L875 HydrophobicContact CD1-CD1 3.88Å; L867-L875 HydrophobicContact CD2-CD1 3.8Å; L867-L875 HydrophobicContact CG-CD1 4.47Å; D871-L875 VanDerWaalsContact O-CB 3.29Å; D871-L875 WeakPolarHBondContact O-CB 3.47Å; D871-L875 WeakPolarHBondContact O-CD1 3.37Å; D871-L875 WeakPolarHBondContact O-CG 3.48Å; D871-L875 PolarHBondContact O-N 3.38Å; L875-S878 WeakPolarHBondContact O-CB 3.28Å; L875-S878 PolarHBondContact O-N 3.49Å; L875-S878 VanDerWaalsContact O-N 3.14Å; L875-E879 PolarHBondContact O-N 2.85Å; L875-L913 HydrophobicContact CD1-CD1 4.44Å; L875-L913 HydrophobicContact CD2-CG 4.27Å; L875-L913 HydrophobicContact CG-CD2 4.2Å; L875-L913 HydrophobicContact CG-CG 4.37Å; L875-L914 HydrophobicContact CD2-CD2 3.77Å; L875-W917 HydrophobicContact CD1-CD2 4.35Å; L875-W917 HydrophobicContact CD1-CE3 3.91Å; L875-W917 HydrophobicContact CD1-CZ3 4.18Å; L875-W917 HydrophobicContact CD2-CB 3.62Å; L875-W917 HydrophobicContact CD2-CD2 3.55Å; L875-W917 HydrophobicContact CD2-CE3 3.92Å; L875-W917 HydrophobicContact CD2-CG 3.41Å; L875-W917 VanDerWaalsContact CD2-CG 3.41Å; L875-W917 HydrophobicContact CG-CD2 4.48Å; L875-L932 HydrophobicContact CB-CD1 4Å; L875-L932 HydrophobicContact CB-CD2 3.88Å; L875-L932 HydrophobicContact CD1-CD2 4.31Å
876	A	96.9	Very high	95.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-60.1	-47.8	176.8	0	0	0	0	0	111.9	F446 M449 V872 S878 E879 D880	F446-A876 HydrophobicContact CD2-CB 3.7Å; F446-A876 HydrophobicContact CE2-CB 4.06Å; F446-A876 VanDerWaalsContact CE2-O 3.25Å; F446-A876 WeakPolarHBondContact CE2-O 3.37Å; F446-A876 HydrophobicContact CG-CB 3.96Å; M449-A876 HydrophobicContact CE-CB 4.23Å; M449-A876 HydrophobicContact SD-CB 3.58Å; M449-A876 VanDerWaalsContact SD-CB 3.58Å; V872-A876 WeakPolarHBondContact O-CB 3.46Å; V872-A876 PolarHBondContact O-N 2.57Å; A876-S878 PolarHBondContact O-N 3.23Å; A876-E879 PolarHBondContact O-N 2.88Å; A876-D880 WeakPolarHBondContact O-CB 3.32Å; A876-D880 PolarHBondContact O-N 3.13Å
877	E	95.5	Very high	95.9	Very high	36 Å²	36	26.3 Å²	26.3	17%	0.168	13%	0.132	C	C	.	.	H	α-helix	trans	-62.5	-29.1	175.5	-74.2	-161.3	134.7	0	0	113.3	M449 H751 K805 R873 E881	M449-E877 HydrophobicContact CE-CB 4.45Å; M449-E877 HydrophobicContact CE-CG 3.43Å; M449-E877 VanDerWaalsContact CE-CG 3.43Å; H751-E877 IonicContact CD2-OE2 2.7Å; H751-E877 IonicContact CE1-OE2 3.8Å; H751-E877 IonicContact NE2-OE2 3.11Å; H751-E877 PolarHBondContact NE2-OE2 3.03Å; K805-E877 IonicContact NZ-OE1 3.81Å; K805-E877 PolarHBondContact NZ-OE1 3.37Å; R873-E877 WeakPolarHBondContact O-CB 3.3Å; R873-E877 WeakPolarHBondContact O-CG 3.42Å; R873-E877 PolarHBondContact O-N 3.26Å; E877-E881 WeakPolarHBondContact O-CB 3.35Å; E877-E881 PolarHBondContact O-N 3.22Å; E877-E881 VanDerWaalsContact O-N 3.13Å
878	S	96	Very high	96.1	Very high	2 Å²	2	26 Å²	26	1%	0.014	13%	0.131	C	C	.	.	H	α-helix	trans	-74	-40.4	176.8	-168.1	0	0	0	0	113.2	V874 L875 A876 L882 R890	V874-S878 VanDerWaalsContact O-CB 3.26Å; V874-S878 WeakPolarHBondContact O-CB 3.42Å; V874-S878 PolarHBondContact O-N 2.61Å; L875-S878 WeakPolarHBondContact O-CB 3.28Å; L875-S878 PolarHBondContact O-N 3.49Å; L875-S878 VanDerWaalsContact O-N 3.14Å; A876-S878 PolarHBondContact O-N 3.23Å; S878-L882 WeakPolarHBondContact O-CB 3.23Å; S878-L882 PolarHBondContact O-N 2.89Å; S878-L882 VanDerWaalsContact O-N 3.1Å; S878-R890 PolarHBondContact O-NH1 3.01Å; S878-R890 PolarHBondContact OG-NH1 3.44Å
879	E	96.4	Very high	96.1	Very high	3 Å²	3	29.5 Å²	29.5	1%	0.014	15%	0.147	C	C	.	.	H	α-helix	trans	-67.1	-45.6	173	-71.6	-56.2	155.2	0	0	111.8	F446 L875 A876 E881 L882 N883 W917 R925 L932	F446-E879 HydrophobicContact CE2-CB 3.75Å; F446-E879 HydrophobicContact CZ-CB 3.66Å; F446-E879 HydrophobicContact CZ-CG 4.2Å; L875-E879 PolarHBondContact O-N 2.85Å; A876-E879 PolarHBondContact O-N 2.88Å; E879-E881 VanDerWaalsContact C-N 3.28Å; E879-E881 PolarHBondContact O-N 2.82Å; E879-L882 PolarHBondContact O-N 3.3Å; E879-L882 VanDerWaalsContact O-N 3.1Å; E879-N883 PolarHBondContact O-N 3.32Å; E879-W917 PolarHBondContact OE1-NE1 3.41Å; E879-R925 VanDerWaalsContact CD-NH2 3.26Å; E879-R925 IonicContact OE1-CZ 3.17Å; E879-R925 IonicContact OE1-NE 3.68Å; E879-R925 PolarHBondContact OE1-NE 3.18Å; E879-R925 IonicContact OE1-NH2 2.93Å; E879-R925 PolarHBondContact OE1-NH2 3.44Å; E879-R925 IonicContact OE2-CZ 2.76Å; E879-R925 IonicContact OE2-NE 2.63Å; E879-R925 PolarHBondContact OE2-NE 2.93Å; E879-R925 IonicContact OE2-NH2 3.78Å; E879-R925 PolarHBondContact OE2-NH2 3.41Å; E879-R925 VanDerWaalsContact OE2-NH2 3.1Å; E879-L932 HydrophobicContact CG-CD1 3.86Å
880	D	95.4	Very high	96.3	Very high	3 Å²	3	29.5 Å²	29.5	2%	0.016	15%	0.145	C	C	.	.	H	α-helix	trans	-65.6	-34.4	-176.6	-153.5	50.2	0	0	0	111.3	S444 L445 F446 A876 R884	S444-D880 WeakPolarHBondContact CA-OD1 3.36Å; S444-D880 PolarHBondContact OG-OD1 3.21Å; S444-D880 PolarHBondContact OG-OD2 2.95Å; L445-D880 PolarHBondContact N-OD1 3.07Å; F446-D880 HydrophobicContact CD2-CB 4.19Å; F446-D880 HydrophobicContact CE2-CB 4.05Å; A876-D880 WeakPolarHBondContact O-CB 3.32Å; A876-D880 PolarHBondContact O-N 3.13Å; D880-R884 VanDerWaalsContact C-NH2 3.27Å; D880-R884 VanDerWaalsContact CG-NH2 3.34Å; D880-R884 PolarHBondContact O-N 2.89Å; D880-R884 PolarHBondContact O-NE 2.92Å; D880-R884 PolarHBondContact O-NH2 3.41Å; D880-R884 VanDerWaalsContact O-NH2 3.16Å; D880-R884 IonicContact OD1-NH1 3.27Å; D880-R884 IonicContact OD2-CZ 3.37Å; D880-R884 VanDerWaalsContact OD2-CZ 3.24Å; D880-R884 IonicContact OD2-NH1 2.75Å; D880-R884 PolarHBondContact OD2-NH1 3.45Å; D880-R884 IonicContact OD2-NH2 3.48Å; D880-R884 PolarHBondContact OD2-NH2 3.27Å
881	E	95.8	Very high	96.5	Very high	20 Å²	20	28.4 Å²	28.4	9%	0.093	14%	0.14	C	C	.	.	H	α-helix	trans	-71.2	-38.2	170.8	-170.5	173.6	111	0	0	113	T639 R645 Y647 L801 E877 E879 N883 R884 R885	T639-E881 WeakPolarHBondContact CB-OE1 3.43Å; T639-E881 VanDerWaalsContact CG2-OE1 3.3Å; T639-E881 WeakPolarHBondContact CG2-OE1 3.26Å; T639-E881 PolarHBondContact OG1-OE1 2.88Å; R645-E881 IonicContact CZ-OE1 2.72Å; R645-E881 IonicContact CZ-OE2 3.33Å; R645-E881 IonicContact NE-OE1 3.08Å; R645-E881 IonicContact NH1-OE1 3.63Å; R645-E881 PolarHBondContact NH1-OE1 3Å; R645-E881 VanDerWaalsContact NH1-OE1 3.14Å; R645-E881 IonicContact NH1-OE2 3.34Å; R645-E881 PolarHBondContact NH1-OE2 3.49Å; R645-E881 VanDerWaalsContact NH2-CD 3.27Å; R645-E881 IonicContact NH2-OE1 3.46Å; R645-E881 PolarHBondContact NH2-OE1 2.87Å; R645-E881 VanDerWaalsContact NH2-OE1 3.08Å; R645-E881 IonicContact NH2-OE2 2.61Å; R645-E881 PolarHBondContact NH2-OE2 2.99Å; Y647-E881 WeakPolarHBondContact CE2-OE1 3.48Å; Y647-E881 PolarHBondContact OH-OE1 3.18Å; L801-E881 HydrophobicContact CD2-CG 3.5Å; L801-E881 HydrophobicContact CG-CG 4.36Å; E877-E881 WeakPolarHBondContact O-CB 3.35Å; E877-E881 PolarHBondContact O-N 3.22Å; E877-E881 VanDerWaalsContact O-N 3.13Å; E879-E881 VanDerWaalsContact C-N 3.28Å; E879-E881 PolarHBondContact O-N 2.82Å; E881-N883 VanDerWaalsContact C-N 3.32Å; E881-R884 PolarHBondContact O-N 2.87Å; E881-R885 PolarHBondContact O-N 2.97Å
882	L	95.4	Very high	96.6	Very high	17 Å²	17	28.4 Å²	28.4	9%	0.089	14%	0.14	C	C	.	.	H	α-helix	trans	-66.5	-34.3	174.2	-171.1	73.6	0	0	0	112.1	Y647 S878 E879 R884 R885 R890	Y647-L882 HydrophobicContact CE1-CD1 4.38Å; S878-L882 WeakPolarHBondContact O-CB 3.23Å; S878-L882 PolarHBondContact O-N 2.89Å; S878-L882 VanDerWaalsContact O-N 3.1Å; E879-L882 PolarHBondContact O-N 3.3Å; E879-L882 VanDerWaalsContact O-N 3.1Å; L882-R884 VanDerWaalsContact C-N 3.34Å; L882-R884 PolarHBondContact O-N 3.36Å; L882-R885 WeakPolarHBondContact O-CB 3.3Å; L882-R885 WeakPolarHBondContact O-CD 3.17Å; L882-R885 WeakPolarHBondContact O-CG 3.02Å; L882-R885 PolarHBondContact O-N 3.21Å; L882-R885 PolarHBondContact O-NH1 3.07Å; L882-R890 HydrophobicContact CD1-CB 3.57Å; L882-R890 HydrophobicContact CD1-CG 4.44Å
883	N	95.3	Very high	96.6	Very high	88 Å²	88	28.5 Å²	28.5	47%	0.471	14%	0.141	S	C	.	.	H	α-helix	trans	-63.5	-39.1	176	-170.1	49.9	0	0	0	111.9	L445 E879 E881 R885	L445-N883 HydrophobicContact CD1-CB 3.83Å; L445-N883 HydrophobicContact CG-CB 4.48Å; E879-N883 PolarHBondContact O-N 3.32Å; E881-N883 VanDerWaalsContact C-N 3.32Å; N883-R885 VanDerWaalsContact C-N 3.31Å; N883-R885 PolarHBondContact O-N 3.44Å
884	R	95.1	Very high	96.5	Very high	30 Å²	30	26.1 Å²	26.1	11%	0.113	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.2	10	179.7	-70.5	-177.1	-69.8	-93.9	-6.2	115.2	V442 T452 D880 E881 L882 G886	V442-R884 HydrophobicContact CG1-CG 4.46Å; T452-R884 VanDerWaalsContact OG1-CD 3.31Å; T452-R884 WeakPolarHBondContact OG1-CD 3.01Å; D880-R884 VanDerWaalsContact C-NH2 3.27Å; D880-R884 VanDerWaalsContact CG-NH2 3.34Å; D880-R884 PolarHBondContact O-N 2.89Å; D880-R884 PolarHBondContact O-NE 2.92Å; D880-R884 PolarHBondContact O-NH2 3.41Å; D880-R884 VanDerWaalsContact O-NH2 3.16Å; D880-R884 IonicContact OD1-NH1 3.27Å; D880-R884 IonicContact OD2-CZ 3.37Å; D880-R884 VanDerWaalsContact OD2-CZ 3.24Å; D880-R884 IonicContact OD2-NH1 2.75Å; D880-R884 PolarHBondContact OD2-NH1 3.45Å; D880-R884 IonicContact OD2-NH2 3.48Å; D880-R884 PolarHBondContact OD2-NH2 3.27Å; E881-R884 PolarHBondContact O-N 2.87Å; L882-R884 VanDerWaalsContact C-N 3.34Å; L882-R884 PolarHBondContact O-N 3.36Å; R884-G886 VanDerWaalsContact C-N 3.33Å; R884-G886 PolarHBondContact O-N 3.14Å
885	R	96	Very high	96.3	Very high	100 Å²	100	30 Å²	30	38%	0.377	15%	0.152	S	C	.	.			trans	-67.8	-21.3	-168.2	74.8	-169.3	-179	-83.5	-0.7	116.4	Y647 L801 E881 L882 N883 E887 F888	Y647-R885 HydrophobicContact CD1-CB 4.49Å; Y647-R885 HydrophobicContact CE1-CB 4.15Å; L801-R885 HydrophobicContact CD1-CB 3.93Å; L801-R885 HydrophobicContact CG-CB 4.42Å; E881-R885 PolarHBondContact O-N 2.97Å; L882-R885 WeakPolarHBondContact O-CB 3.3Å; L882-R885 WeakPolarHBondContact O-CD 3.17Å; L882-R885 WeakPolarHBondContact O-CG 3.02Å; L882-R885 PolarHBondContact O-N 3.21Å; L882-R885 PolarHBondContact O-NH1 3.07Å; N883-R885 VanDerWaalsContact C-N 3.31Å; N883-R885 PolarHBondContact O-N 3.44Å; R885-E887 PolarHBondContact O-N 2.96Å; R885-F888 HydrophobicContact CB-CB 4.45Å; R885-F888 WeakPolarHBondContact CD-O 3.35Å; R885-F888 VanDerWaalsContact CG-O 3.24Å; R885-F888 WeakPolarHBondContact CG-O 3.31Å; R885-F888 WeakPolarHBondContact O-CB 3.44Å; R885-F888 PolarHBondContact O-N 2.8Å; R885-F888 VanDerWaalsContact O-N 3.1Å
886	G	96.2	Very high	96	Very high	43 Å²	43	33 Å²	33	44%	0.443	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	-131.8	-173.4	0	0	0	0	0	112.1	R884 F888	R884-G886 VanDerWaalsContact C-N 3.33Å; R884-G886 PolarHBondContact O-N 3.14Å; G886-F888 PolarHBondContact O-N 2.93Å
887	E	97.1	Very high	95.9	Very high	71 Å²	71	33 Å²	33	33%	0.332	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	10.4	175.9	-76.9	-158.3	-167.6	0	0	114.9	F649 S650 K704 Q793 D797 R885	F649-E887 HydrophobicContact CD2-CB 4.24Å; F649-E887 HydrophobicContact CE2-CB 3.56Å; F649-E887 HydrophobicContact CZ-CB 4.02Å; S650-E887 WeakPolarHBondContact CB-O 3.5Å; S650-E887 PolarHBondContact N-O 3.24Å; S650-E887 PolarHBondContact OG-OE2 2.77Å; K704-E887 IonicContact NZ-OE1 3.11Å; K704-E887 PolarHBondContact NZ-OE1 3.47Å; K704-E887 IonicContact NZ-OE2 2.88Å; K704-E887 PolarHBondContact NZ-OE2 3.41Å; Q793-E887 HydrophobicContact CG-CG 4.4Å; D797-E887 PolarHBondContact OD2-N 3.37Å; R885-E887 PolarHBondContact O-N 2.96Å
888	F	98.5	Very high	95.8	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	129.6	170.2	-75.3	-88.5	0	0	0	112.5	Y637 Y647 L648 F649 M794 D797 L798 L801 R885 G886	Y637-F888 HydrophobicContact CG-CE1 4.48Å; Y647-F888 HydrophobicContact CD1-CB 4.03Å; L648-F888 CarbonylContact O-C 3.59Å; L648-F888 WeakPolarHBondContact O-CA 3.42Å; F649-F888 HydrophobicContact CB-CD1 4.02Å; F649-F888 HydrophobicContact CB-CE1 3.71Å; F649-F888 HydrophobicContact CB-CZ 4.18Å; F649-F888 HydrophobicContact CD2-CD1 4.18Å; F649-F888 AromaticContact CD2-CD2 3.88Å; F649-F888 HydrophobicContact CD2-CD2 3.88Å; F649-F888 HydrophobicContact CD2-CE1 4.01Å; F649-F888 AromaticContact CD2-CE2 3.69Å; F649-F888 HydrophobicContact CD2-CE2 3.69Å; F649-F888 HydrophobicContact CD2-CG 4.12Å; F649-F888 AromaticContact CD2-CZ 3.76Å; F649-F888 HydrophobicContact CD2-CZ 3.76Å; F649-F888 HydrophobicContact CE2-CD2 4.46Å; F649-F888 HydrophobicContact CE2-CE2 4.25Å; F649-F888 HydrophobicContact CG-CE1 4.3Å; F649-F888 HydrophobicContact CG-CZ 4.32Å; M794-F888 HydrophobicContact CG-CE2 4.34Å; M794-F888 HydrophobicContact CG-CZ 3.81Å; D797-F888 HydrophobicContact CB-CD2 3.88Å; D797-F888 HydrophobicContact CB-CE2 3.94Å; L798-F888 HydrophobicContact CB-CE2 4.1Å; L798-F888 HydrophobicContact CB-CZ 4.23Å; L801-F888 HydrophobicContact CD1-CB 3.74Å; L801-F888 HydrophobicContact CD1-CD2 3.89Å; L801-F888 HydrophobicContact CD1-CG 3.91Å; R885-F888 HydrophobicContact CB-CB 4.45Å; R885-F888 WeakPolarHBondContact CD-O 3.35Å; R885-F888 VanDerWaalsContact CG-O 3.24Å; R885-F888 WeakPolarHBondContact CG-O 3.31Å; R885-F888 WeakPolarHBondContact O-CB 3.44Å; R885-F888 PolarHBondContact O-N 2.8Å; R885-F888 VanDerWaalsContact O-N 3.1Å; G886-F888 PolarHBondContact O-N 2.93Å
889	E	97.6	Very high	95.7	Very high	74 Å²	74	38.1 Å²	38.1	35%	0.346	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	128.4	167.2	-167.9	-164.7	147.5	0	0	110	Y647 L648 K725 I891	Y647-E889 CarbonylContact C-O 3.39Å; Y647-E889 VanDerWaalsContact CA-O 3.27Å; Y647-E889 WeakPolarHBondContact CA-O 3.42Å; L648-E889 PolarHBondContact N-O 2.96Å; L648-E889 PolarHBondContact O-N 3.2Å; K725-E889 VanDerWaalsContact CE-OE1 3.26Å; K725-E889 WeakPolarHBondContact CE-OE1 3.44Å; K725-E889 WeakPolarHBondContact CE-OE2 3.15Å; K725-E889 IonicContact NZ-OE1 2.94Å; K725-E889 PolarHBondContact NZ-OE1 3.33Å; K725-E889 IonicContact NZ-OE2 2.78Å; K725-E889 PolarHBondContact NZ-OE2 3.34Å; E889-I891 HydrophobicContact CB-CG2 4.41Å; E889-I891 HydrophobicContact CG-CG2 4.23Å; E889-I891 PolarHBondContact O-N 3.14Å
890	R	98.1	Very high	95.8	Very high	15 Å²	15	38.1 Å²	38.1	6%	0.057	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	103.1	171.9	-166.3	177.9	69.7	-157.7	-9	109.8	Y647 S878 L882 P893 E918	Y647-R890 HydrophobicContact CD1-CB 3.8Å; Y647-R890 HydrophobicContact CD1-CG 4.14Å; Y647-R890 HydrophobicContact CD2-CG 4.45Å; Y647-R890 HydrophobicContact CE1-CB 3.54Å; Y647-R890 HydrophobicContact CE1-CG 3.78Å; Y647-R890 HydrophobicContact CE2-CG 4.07Å; Y647-R890 HydrophobicContact CG-CG 4.47Å; Y647-R890 WeakPolarHBondContact OH-CD 3.43Å; S878-R890 PolarHBondContact O-NH1 3.01Å; S878-R890 PolarHBondContact OG-NH1 3.44Å; L882-R890 HydrophobicContact CD1-CB 3.57Å; L882-R890 HydrophobicContact CD1-CG 4.44Å; R890-P893 PolarHBondContact NE-O 3.27Å; R890-E918 IonicContact CZ-OE1 3.43Å; R890-E918 IonicContact NH2-OE1 3.33Å; R890-E918 PolarHBondContact NH2-OE1 3.08Å; R890-E918 IonicContact NH2-OE2 3.78Å; R890-E918 PolarHBondContact NH2-OE2 3Å
891	I	98.2	Very high	95.7	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-24.2	-176.2	66.1	171.6	0	0	0	112.5	I646 L648 K725 V728 I729 E889 S894	I646-I891 HydrophobicContact CB-CG1 4.11Å; I646-I891 HydrophobicContact CG2-CD1 3.97Å; I646-I891 HydrophobicContact CG2-CG1 3.89Å; I646-I891 PolarHBondContact O-N 3.22Å; L648-I891 HydrophobicContact CB-CD1 4.26Å; L648-I891 HydrophobicContact CB-CG2 3.73Å; L648-I891 HydrophobicContact CD2-CD1 4.48Å; L648-I891 HydrophobicContact CD2-CG2 4.09Å; K725-I891 HydrophobicContact CB-CD1 4.46Å; K725-I891 HydrophobicContact CD-CG2 3.9Å; K725-I891 HydrophobicContact CG-CG2 3.98Å; V728-I891 HydrophobicContact CB-CD1 4.04Å; V728-I891 HydrophobicContact CG1-CD1 3.75Å; I729-I891 HydrophobicContact CD1-CB 4.13Å; I729-I891 HydrophobicContact CD1-CD1 4.13Å; I729-I891 HydrophobicContact CD1-CG1 4.06Å; I729-I891 WeakPolarHBondContact CD1-O 3.3Å; I729-I891 HydrophobicContact CG1-CD1 3.68Å; I729-I891 HydrophobicContact CG1-CG1 3.89Å; E889-I891 HydrophobicContact CB-CG2 4.41Å; E889-I891 HydrophobicContact CG-CG2 4.23Å; E889-I891 PolarHBondContact O-N 3.14Å; I891-S894 PolarHBondContact O-OG 2.85Å
892	F	98.4	Very high	95.7	Very high	1 Å²	1	45.2 Å²	45.2	0%	0.004	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	132	170.6	-175.3	-80.1	0	0	0	110.1	L644 R645 I646 I729 Y900 L901 F904	L644-F892 HydrophobicContact CB-CD1 4.25Å; L644-F892 HydrophobicContact CB-CE1 3.9Å; L644-F892 HydrophobicContact CD2-CD1 4.2Å; L644-F892 HydrophobicContact CD2-CE1 4.13Å; L644-F892 HydrophobicContact CG-CD1 3.99Å; L644-F892 HydrophobicContact CG-CE1 4.07Å; L644-F892 VanDerWaalsContact O-CD1 3.24Å; L644-F892 WeakPolarHBondContact O-CD1 3.33Å; L644-F892 VanDerWaalsContact O-CE1 3.3Å; L644-F892 WeakPolarHBondContact O-CE1 3.43Å; R645-F892 CarbonylContact C-O 3.59Å; R645-F892 WeakPolarHBondContact CA-O 3.21Å; I646-F892 HydrophobicContact CB-CB 4.12Å; I646-F892 HydrophobicContact CD1-CB 3.99Å; I646-F892 HydrophobicContact CD1-CG 4.44Å; I646-F892 HydrophobicContact CG1-CB 4.12Å; I646-F892 PolarHBondContact N-O 2.69Å; I646-F892 PolarHBondContact O-N 2.68Å; I729-F892 HydrophobicContact CD1-CB 4.29Å; I729-F892 HydrophobicContact CG1-CB 4.19Å; I729-F892 HydrophobicContact CG2-CB 4.36Å; I729-F892 HydrophobicContact CG2-CD2 3.95Å; I729-F892 HydrophobicContact CG2-CG 4.4Å; F892-Y900 HydrophobicContact CD2-CD2 4.25Å; F892-L901 HydrophobicContact CZ-CD2 4.1Å; F892-F904 HydrophobicContact CE1-CZ 4.41Å; F892-F904 HydrophobicContact CE2-CE2 4.47Å; F892-F904 HydrophobicContact CZ-CE2 4.06Å; F892-F904 HydrophobicContact CZ-CZ 4.02Å
893	P	97.2	Very high	95.7	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.013	22%	0.219	C	C	.	.	S	Bend	cis	-70.9	149.4	-13.8	30.4	-33.3	0	0	0	111.4	R890 L914 E918	R890-P893 PolarHBondContact NE-O 3.27Å; P893-L914 HydrophobicContact CB-CB 4.28Å; P893-L914 HydrophobicContact CG-CB 3.74Å; P893-L914 HydrophobicContact CG-CD1 3.9Å; P893-L914 HydrophobicContact CG-CG 4.49Å; P893-E918 HydrophobicContact CB-CG 4.2Å
894	S	94.8	Very high	95.7	Very high	20 Å²	20	40.9 Å²	40.9	14%	0.14	20%	0.199	C	C	.	.	S	Bend	trans	-156.2	167.2	178.7	66	0	0	0	0	110.4	I891 S896 S897	I891-S894 PolarHBondContact O-OG 2.85Å; S894-S896 PolarHBondContact O-N 3.1Å; S894-S896 VanDerWaalsContact O-N 3.08Å; S894-S897 PolarHBondContact N-OG 2.74Å; S894-S897 VanDerWaalsContact O-CB 3.24Å; S894-S897 WeakPolarHBondContact O-CB 3.3Å; S894-S897 PolarHBondContact O-N 3.35Å; S894-S897 PolarHBondContact O-OG 2.91Å; S894-S897 WeakPolarHBondContact OG-CB 3.39Å
895	Q	91.4	Very high	95.5	Very high	101 Å²	101	42.6 Å²	42.6	47%	0.472	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-25.6	-178.1	-170.7	-176.6	31.9	0	0	114.5	Q919 C922 N923	Q895-Q919 PolarHBondContact O-NE2 3.05Å; Q895-C922 HydrophobicContact CB-CB 4.21Å; Q895-C922 VanDerWaalsContact CD-SG 3.58Å; Q895-C922 HydrophobicContact CG-CB 4.27Å; Q895-C922 PolarHBondContact NE2-SG 3.08Å; Q895-N923 PolarHBondContact NE2-OD1 2.97Å
896	S	90.7	Very high	95.3	Very high	63 Å²	63	40.5 Å²	40.5	44%	0.441	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	2.4	177.4	64.2	0	0	0	0	113.9	S894	S894-S896 PolarHBondContact O-N 3.1Å; S894-S896 VanDerWaalsContact O-N 3.08Å
897	S	94.1	Very high	95.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.213	C	C	.	.			trans	-93.4	-14.8	-162.9	77.7	0	0	0	0	116.9	S894 R899 Y900	S894-S897 PolarHBondContact N-OG 2.74Å; S894-S897 VanDerWaalsContact O-CB 3.24Å; S894-S897 WeakPolarHBondContact O-CB 3.3Å; S894-S897 PolarHBondContact O-N 3.35Å; S894-S897 PolarHBondContact O-OG 2.91Å; S894-S897 WeakPolarHBondContact OG-CB 3.39Å; S897-R899 PolarHBondContact O-N 2.89Å; S897-Y900 WeakPolarHBondContact O-CB 3.49Å; S897-Y900 WeakPolarHBondContact O-CD2 3.15Å; S897-Y900 PolarHBondContact O-N 2.86Å
898	S	93.8	Very high	94.9	Very high	30 Å²	30	40.9 Å²	40.9	21%	0.21	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-55.3	-32	-179	-39.4	0	0	0	0	112.3	Y900 L901 D915 Q919	S898-Y900 PolarHBondContact O-N 3.33Å; S898-L901 WeakPolarHBondContact O-CB 3.33Å; S898-L901 PolarHBondContact O-N 3.03Å; S898-D915 WeakPolarHBondContact CA-OD1 3.47Å; S898-D915 WeakPolarHBondContact CB-OD1 3.2Å; S898-D915 WeakPolarHBondContact CB-OD2 3.49Å; S898-D915 PolarHBondContact N-OD1 3.39Å; S898-D915 PolarHBondContact OG-OD1 2.84Å; S898-D915 PolarHBondContact OG-OD2 3.3Å; S898-Q919 PolarHBondContact OG-NE2 2.72Å
899	R	94.9	Very high	94.8	Very high	116 Å²	116	41.2 Å²	41.2	44%	0.438	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-57.9	-13.5	174.1	82.4	-174.2	-157.3	-164.4	5.6	114.9	D726 S897 R902	D726-R899 IonicContact OD1-CZ 3.79Å; D726-R899 IonicContact OD1-NE 2.85Å; D726-R899 IonicContact OD1-NH2 2.74Å; D726-R899 PolarHBondContact OD1-NH2 3.1Å; S897-R899 PolarHBondContact O-N 2.89Å; R899-R902 WeakPolarHBondContact O-CG 3.25Å; R899-R902 PolarHBondContact O-NE 3.1Å
900	Y	97.4	Very high	94.7	Very high	3 Å²	3	38.2 Å²	38.2	1%	0.012	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-95.3	-16	176.7	-55.2	-72	0	0	0	113.5	D726 I729 K730 F892 S897 S898 R902 F903	D726-Y900 WeakPolarHBondContact CA-OH 3.11Å; D726-Y900 VanDerWaalsContact OD1-CE1 3.32Å; D726-Y900 WeakPolarHBondContact OD1-CE1 3.29Å; D726-Y900 PolarHBondContact OD1-OH 3.05Å; I729-Y900 HydrophobicContact CB-CD1 4.43Å; I729-Y900 HydrophobicContact CB-CE1 4.3Å; I729-Y900 HydrophobicContact CB-CE2 4.41Å; I729-Y900 HydrophobicContact CD1-CD2 4.1Å; I729-Y900 HydrophobicContact CD1-CE2 3.49Å; I729-Y900 VanDerWaalsContact CD1-CE2 3.49Å; I729-Y900 HydrophobicContact CG2-CD1 3.83Å; I729-Y900 HydrophobicContact CG2-CD2 3.71Å; I729-Y900 HydrophobicContact CG2-CE1 4.17Å; I729-Y900 HydrophobicContact CG2-CE2 4.08Å; I729-Y900 HydrophobicContact CG2-CG 3.61Å; K730-Y900 HydrophobicContact CG-CD1 4.08Å; K730-Y900 HydrophobicContact CG-CE1 4.1Å; F892-Y900 HydrophobicContact CD2-CD2 4.25Å; S897-Y900 WeakPolarHBondContact O-CB 3.49Å; S897-Y900 WeakPolarHBondContact O-CD2 3.15Å; S897-Y900 PolarHBondContact O-N 2.86Å; S898-Y900 PolarHBondContact O-N 3.33Å; Y900-R902 PolarHBondContact O-N 3.1Å; Y900-F903 AromaticContact CD1-CD2 3.96Å; Y900-F903 HydrophobicContact CD1-CD2 3.96Å; Y900-F903 AromaticContact CD1-CE2 3.83Å; Y900-F903 HydrophobicContact CD1-CE2 3.83Å; Y900-F903 WeakPolarHBondContact O-CB 3.21Å; Y900-F903 PolarHBondContact O-N 3.37Å
901	L	94.9	Very high	94.7	Very high	36 Å²	36	37.7 Å²	37.7	19%	0.188	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-59.2	-35.1	-180	-66.2	-179.2	0	0	0	112.2	F892 S898 F903 F904 N911 D915	F892-L901 HydrophobicContact CZ-CD2 4.1Å; S898-L901 WeakPolarHBondContact O-CB 3.33Å; S898-L901 PolarHBondContact O-N 3.03Å; L901-F903 PolarHBondContact O-N 2.87Å; L901-F903 VanDerWaalsContact O-N 3.1Å; L901-F904 HydrophobicContact CD2-CE2 4.25Å; L901-F904 WeakPolarHBondContact O-CD2 3.26Å; L901-F904 PolarHBondContact O-N 2.98Å; L901-N911 HydrophobicContact CD2-CB 4.02Å; L901-D915 HydrophobicContact CD1-CB 3.95Å
902	R	94.3	Very high	94.6	Very high	136 Å²	136	38.2 Å²	38.2	51%	0.513	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-60.7	-13.7	173.6	65.7	-178.1	167.1	131.3	8.7	115.3	F551 E555 R899 Y900	F551-R902 WeakPolarHBondContact CE1-O 3.45Å; F551-R902 WeakPolarHBondContact CZ-O 3.46Å; E555-R902 IonicContact OE1-CZ 3.64Å; E555-R902 VanDerWaalsContact OE1-CZ 3.23Å; E555-R902 IonicContact OE1-NH1 3.85Å; E555-R902 PolarHBondContact OE1-NH1 2.69Å; E555-R902 IonicContact OE1-NH2 2.85Å; E555-R902 PolarHBondContact OE1-NH2 2.75Å; E555-R902 IonicContact OE2-NH2 3.71Å; R899-R902 WeakPolarHBondContact O-CG 3.25Å; R899-R902 PolarHBondContact O-NE 3.1Å; Y900-R902 PolarHBondContact O-N 3.1Å
903	F	96.6	Very high	94.5	Very high	1 Å²	1	38.1 Å²	38.1	0%	0.004	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-89.8	-16.2	179.9	-61.7	-48.2	0	0	0	114	M547 F551 E555 F556 K730 I733 Y900 L901	M547-F903 HydrophobicContact CE-CB 3.99Å; M547-F903 WeakPolarHBondContact CE-O 3.29Å; F551-F903 HydrophobicContact CB-CD1 4.24Å; F551-F903 HydrophobicContact CB-CE1 4.05Å; F551-F903 AromaticContact CD1-CD1 3.77Å; F551-F903 HydrophobicContact CD1-CD1 3.77Å; F551-F903 HydrophobicContact CD1-CE1 4.07Å; F551-F903 AromaticContact CD2-CD1 3.79Å; F551-F903 HydrophobicContact CD2-CD1 3.79Å; F551-F903 HydrophobicContact CD2-CE1 4.44Å; F551-F903 AromaticContact CE1-CD1 3.99Å; F551-F903 HydrophobicContact CE1-CD1 3.99Å; F551-F903 HydrophobicContact CE2-CB 4.38Å; F551-F903 HydrophobicContact CE2-CD1 4.02Å; F551-F903 AromaticContact CG-CD1 3.65Å; F551-F903 HydrophobicContact CG-CD1 3.65Å; F551-F903 AromaticContact CG-CE1 3.94Å; F551-F903 HydrophobicContact CG-CE1 3.94Å; F551-F903 HydrophobicContact CZ-CB 4.48Å; F551-F903 HydrophobicContact CZ-CD1 4.11Å; E555-F903 HydrophobicContact CB-CE1 4.26Å; E555-F903 HydrophobicContact CB-CZ 4.23Å; E555-F903 HydrophobicContact CG-CE1 4.1Å; E555-F903 HydrophobicContact CG-CZ 4.02Å; F556-F903 AromaticContact CE2-CD1 3.89Å; F556-F903 HydrophobicContact CE2-CD1 3.89Å; F556-F903 AromaticContact CE2-CE1 3.89Å; F556-F903 HydrophobicContact CE2-CE1 3.89Å; F556-F903 HydrophobicContact CE2-CG 4.42Å; F556-F903 HydrophobicContact CE2-CZ 4.42Å; F556-F903 HydrophobicContact CZ-CD1 4.2Å; F556-F903 HydrophobicContact CZ-CG 4.29Å; K730-F903 HydrophobicContact CD-CE2 4.33Å; K730-F903 HydrophobicContact CG-CD2 4.24Å; K730-F903 HydrophobicContact CG-CE2 4.14Å; I733-F903 HydrophobicContact CG2-CB 3.99Å; Y900-F903 AromaticContact CD1-CD2 3.96Å; Y900-F903 HydrophobicContact CD1-CD2 3.96Å; Y900-F903 AromaticContact CD1-CE2 3.83Å; Y900-F903 HydrophobicContact CD1-CE2 3.83Å; Y900-F903 WeakPolarHBondContact O-CB 3.21Å; Y900-F903 PolarHBondContact O-N 3.37Å; L901-F903 PolarHBondContact O-N 2.87Å; L901-F903 VanDerWaalsContact O-N 3.1Å
904	F	95.4	Very high	94.5	Very high	12 Å²	12	38.1 Å²	38.1	5%	0.053	19%	0.192	C	C	.	.	S	Bend	trans	-63.4	152.1	177.2	-71.7	-103.2	0	0	0	111.1	R550 L644 I733 E736 F892 L901 C906 R908 N911	R550-F904 PolarHBondContact NH2-O 2.81Å; L644-F904 HydrophobicContact CB-CZ 4.42Å; L644-F904 HydrophobicContact CD2-CE1 4.05Å; L644-F904 HydrophobicContact CD2-CZ 3.67Å; I733-F904 HydrophobicContact CD1-CD2 4.32Å; I733-F904 HydrophobicContact CD1-CE2 3.65Å; I733-F904 HydrophobicContact CD1-CZ 4.04Å; I733-F904 HydrophobicContact CG1-CE1 4.47Å; I733-F904 HydrophobicContact CG1-CE2 3.98Å; I733-F904 HydrophobicContact CG1-CZ 3.9Å; I733-F904 HydrophobicContact CG2-CD1 4.46Å; I733-F904 HydrophobicContact CG2-CD2 4.16Å; I733-F904 HydrophobicContact CG2-CE2 4.33Å; I733-F904 HydrophobicContact CG2-CG 4.25Å; E736-F904 HydrophobicContact CG-CD1 4.29Å; E736-F904 HydrophobicContact CG-CE1 3.96Å; F892-F904 HydrophobicContact CE1-CZ 4.41Å; F892-F904 HydrophobicContact CE2-CE2 4.47Å; F892-F904 HydrophobicContact CZ-CE2 4.06Å; F892-F904 HydrophobicContact CZ-CZ 4.02Å; L901-F904 HydrophobicContact CD2-CE2 4.25Å; L901-F904 WeakPolarHBondContact O-CD2 3.26Å; L901-F904 PolarHBondContact O-N 2.98Å; F904-C906 WeakPolarHBondContact CB-O 3.36Å; F904-R908 HydrophobicContact CD1-CG 4.02Å; F904-R908 HydrophobicContact CE1-CG 4.3Å; F904-N911 WeakPolarHBondContact CE1-ND2 3.45Å; F904-N911 WeakPolarHBondContact CZ-ND2 3.4Å
905	E	90.9	Very high	94.6	Very high	67 Å²	67	37.2 Å²	37.2	31%	0.313	19%	0.185	S	C	.	.	S	Bend	trans	-78.4	-30.5	179.6	-163.5	148	168.7	0	0	112.5	K546 R550 P737	K546-E905 IonicContact NZ-OE1 2.66Å; K546-E905 PolarHBondContact NZ-OE1 3.16Å; K546-E905 IonicContact NZ-OE2 2.86Å; K546-E905 PolarHBondContact NZ-OE2 3.49Å; R550-E905 IonicContact NH1-OE2 3.61Å; P737-E905 HydrophobicContact CG-CB 4.47Å
906	C	90.9	Very high	94.8	Very high	56 Å²	56	32.6 Å²	32.6	38%	0.378	16%	0.164	S	C	.	.	S	Bend	trans	-135.9	146.3	160.8	-45.8	0	0	0	0	108.4	F904	F904-C906 WeakPolarHBondContact CB-O 3.36Å
907	P	92.1	Very high	95	Very high	82 Å²	82	29.8 Å²	29.8	53%	0.532	14%	0.144	S	C	.	.			trans	-56.6	153.7	174.1	-24.2	34.6	0	0	0	112.6	L850 I912	L850-P907 HydrophobicContact CD2-CB 3.77Å; L850-P907 WeakPolarHBondContact CD2-O 3.46Å; P907-I912 HydrophobicContact CB-CD1 4.41Å
908	R	93.1	Very high	95	Very high	40 Å²	40	30.1 Å²	30.1	15%	0.151	15%	0.145	C	C	.	.			trans	-125.1	116.9	-179.7	-57	-63.9	-173.2	-131.9	-5.2	109.2	E736 F904 L910 N911 I912	E736-R908 VanDerWaalsContact CD-NH2 3.33Å; E736-R908 IonicContact OE1-CZ 3.76Å; E736-R908 IonicContact OE1-NE 3.14Å; E736-R908 PolarHBondContact OE1-NE 2.65Å; E736-R908 IonicContact OE1-NH2 3.09Å; E736-R908 PolarHBondContact OE1-NH2 2.79Å; E736-R908 VanDerWaalsContact OE1-NH2 3.08Å; E736-R908 IonicContact OE2-CZ 2.7Å; E736-R908 IonicContact OE2-NE 3.59Å; E736-R908 IonicContact OE2-NH2 2.71Å; E736-R908 PolarHBondContact OE2-NH2 2.99Å; F904-R908 HydrophobicContact CD1-CG 4.02Å; F904-R908 HydrophobicContact CE1-CG 4.3Å; R908-L910 PolarHBondContact O-N 3.42Å; R908-N911 HydrophobicContact CB-CB 3.95Å; R908-N911 WeakPolarHBondContact O-CB 3.29Å; R908-N911 PolarHBondContact O-N 3.5Å; R908-I912 PolarHBondContact O-N 2.85Å; R908-I912 VanDerWaalsContact O-N 3.1Å
909	Y	95.9	Very high	94.9	Very high	8 Å²	8	31.9 Å²	31.9	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-55	-48.7	-174.5	171.1	-97.2	0	0	0	112.6	K845 R846 F849 V863 D871 N911 I912 L913	K845-Y909 HydrophobicContact CD-CE2 4.46Å; K845-Y909 VanDerWaalsContact CD-OH 3.3Å; K845-Y909 WeakPolarHBondContact CD-OH 3.33Å; K845-Y909 WeakPolarHBondContact CE-OH 3.19Å; K845-Y909 HydrophobicContact CG-CE2 4.22Å; K845-Y909 PolarHBondContact NZ-OH 3.5Å; K845-Y909 VanDerWaalsContact NZ-OH 3.07Å; R846-Y909 HydrophobicContact CB-CD2 4.48Å; R846-Y909 HydrophobicContact CB-CG 4.26Å; R846-Y909 HydrophobicContact CG-CD1 3.43Å; R846-Y909 VanDerWaalsContact CG-CD1 3.43Å; R846-Y909 HydrophobicContact CG-CD2 4.08Å; R846-Y909 HydrophobicContact CG-CE1 3.89Å; R846-Y909 HydrophobicContact CG-CE2 4.46Å; R846-Y909 HydrophobicContact CG-CG 3.56Å; F849-Y909 HydrophobicContact CB-CD2 4.07Å; F849-Y909 HydrophobicContact CB-CE2 4.3Å; F849-Y909 HydrophobicContact CD2-CE2 4.06Å; F849-Y909 HydrophobicContact CG-CE2 4.39Å; V863-Y909 HydrophobicContact CG2-CE2 3.65Å; D871-Y909 VanDerWaalsContact CG-OH 3.29Å; D871-Y909 VanDerWaalsContact OD1-CE1 3.29Å; D871-Y909 WeakPolarHBondContact OD1-CE1 3.32Å; D871-Y909 PolarHBondContact OD1-OH 2.81Å; D871-Y909 PolarHBondContact OD2-OH 2.67Å; Y909-N911 VanDerWaalsContact C-N 3.26Å; Y909-N911 PolarHBondContact O-N 3.11Å; Y909-I912 WeakPolarHBondContact O-CB 3.24Å; Y909-I912 PolarHBondContact O-N 3.41Å; Y909-I912 VanDerWaalsContact O-N 3.1Å; Y909-L913 PolarHBondContact O-N 2.96Å
910	L	96.4	Very high	94.7	Very high	12 Å²	12	32.1 Å²	32.1	6%	0.063	15%	0.154	C	C	.	.	H	α-helix	trans	-68.6	-22.6	-179.9	-61	178.6	0	0	0	113.2	P643 V874 R908 L913 L914	P643-L910 HydrophobicContact CB-CB 3.8Å; P643-L910 HydrophobicContact CG-CB 4.25Å; V874-L910 HydrophobicContact CB-CD2 4.46Å; V874-L910 HydrophobicContact CG1-CD2 4.29Å; V874-L910 HydrophobicContact CG2-CD1 4.21Å; V874-L910 HydrophobicContact CG2-CD2 4.16Å; R908-L910 PolarHBondContact O-N 3.42Å; L910-L913 HydrophobicContact CD2-CD2 4.01Å; L910-L914 WeakPolarHBondContact O-CG 3.36Å; L910-L914 PolarHBondContact O-N 2.88Å; L910-L914 VanDerWaalsContact O-N 3.12Å
911	N	97.1	Very high	94.1	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-74.5	-36.9	171.9	-62.9	0.9	0	0	0	110.8	P643 L644 L901 F904 R908 Y909 D915	P643-N911 WeakPolarHBondContact CA-OD1 3.38Å; P643-N911 WeakPolarHBondContact CB-OD1 3.5Å; L644-N911 PolarHBondContact N-OD1 3.33Å; L901-N911 HydrophobicContact CD2-CB 4.02Å; F904-N911 WeakPolarHBondContact CE1-ND2 3.45Å; F904-N911 WeakPolarHBondContact CZ-ND2 3.4Å; R908-N911 HydrophobicContact CB-CB 3.95Å; R908-N911 WeakPolarHBondContact O-CB 3.29Å; R908-N911 PolarHBondContact O-N 3.5Å; Y909-N911 VanDerWaalsContact C-N 3.26Å; Y909-N911 PolarHBondContact O-N 3.11Å; N911-D915 WeakPolarHBondContact O-CB 3.48Å; N911-D915 PolarHBondContact O-N 3.43Å
912	I	96.1	Very high	93.4	Very high	13 Å²	13	33.2 Å²	33.2	7%	0.067	16%	0.162	C	C	.	.	H	α-helix	trans	-64.2	-46.7	172.6	-63.5	166.6	0	0	0	109.8	L860 P907 R908 Y909 L914 D915 Q916	L860-I912 HydrophobicContact CD2-CG2 3.88Å; P907-I912 HydrophobicContact CB-CD1 4.41Å; R908-I912 PolarHBondContact O-N 2.85Å; R908-I912 VanDerWaalsContact O-N 3.1Å; Y909-I912 WeakPolarHBondContact O-CB 3.24Å; Y909-I912 PolarHBondContact O-N 3.41Å; Y909-I912 VanDerWaalsContact O-N 3.1Å; I912-L914 PolarHBondContact O-N 2.73Å; I912-D915 PolarHBondContact O-N 3.15Å; I912-Q916 HydrophobicContact CG2-CG 4.22Å; I912-Q916 VanDerWaalsContact O-CG 3.3Å; I912-Q916 WeakPolarHBondContact O-CG 3.46Å; I912-Q916 PolarHBondContact O-N 3.44Å
913	L	97.4	Very high	92.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-54.6	-52.5	177.1	-178.7	74.5	0	0	0	111.9	V863 L864 L867 D871 L875 Y909 L910 W917	V863-L913 HydrophobicContact CG1-CD1 4.4Å; V863-L913 HydrophobicContact CG2-CD1 4.21Å; L864-L913 HydrophobicContact CD2-CD1 3.89Å; L867-L913 HydrophobicContact CD2-CD1 4.3Å; D871-L913 HydrophobicContact CB-CD1 4.11Å; D871-L913 HydrophobicContact CB-CD2 3.93Å; D871-L913 WeakPolarHBondContact OD1-CD2 2.99Å; L875-L913 HydrophobicContact CD1-CD1 4.44Å; L875-L913 HydrophobicContact CD2-CG 4.27Å; L875-L913 HydrophobicContact CG-CD2 4.2Å; L875-L913 HydrophobicContact CG-CG 4.37Å; Y909-L913 PolarHBondContact O-N 2.96Å; L910-L913 HydrophobicContact CD2-CD2 4.01Å; L913-W917 WeakPolarHBondContact O-CB 3.46Å; L913-W917 PolarHBondContact O-N 3.17Å
914	L	97.1	Very high	92.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-68.9	-34.9	179.6	-66	-167.1	0	0	0	112.9	P643 R645 V874 L875 P893 L910 I912 W917 E918	P643-L914 HydrophobicContact CB-CD1 3.77Å; P643-L914 HydrophobicContact CB-CG 4.31Å; P643-L914 HydrophobicContact CG-CD1 3.55Å; P643-L914 HydrophobicContact CG-CG 4.25Å; R645-L914 HydrophobicContact CG-CD1 4.19Å; V874-L914 HydrophobicContact CG1-CD2 4.18Å; L875-L914 HydrophobicContact CD2-CD2 3.77Å; P893-L914 HydrophobicContact CB-CB 4.28Å; P893-L914 HydrophobicContact CG-CB 3.74Å; P893-L914 HydrophobicContact CG-CD1 3.9Å; P893-L914 HydrophobicContact CG-CG 4.49Å; L910-L914 WeakPolarHBondContact O-CG 3.36Å; L910-L914 PolarHBondContact O-N 2.88Å; L910-L914 VanDerWaalsContact O-N 3.12Å; I912-L914 PolarHBondContact O-N 2.73Å; L914-W917 PolarHBondContact O-N 3.3Å; L914-E918 WeakPolarHBondContact O-CG 2.99Å; L914-E918 PolarHBondContact O-N 3.06Å
915	D	96.3	Very high	92	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-62.6	-51	177	176.2	71.5	0	0	0	111.9	S898 L901 N911 I912 W917 E918 Q919	S898-D915 WeakPolarHBondContact CA-OD1 3.47Å; S898-D915 WeakPolarHBondContact CB-OD1 3.2Å; S898-D915 WeakPolarHBondContact CB-OD2 3.49Å; S898-D915 PolarHBondContact N-OD1 3.39Å; S898-D915 PolarHBondContact OG-OD1 2.84Å; S898-D915 PolarHBondContact OG-OD2 3.3Å; L901-D915 HydrophobicContact CD1-CB 3.95Å; N911-D915 WeakPolarHBondContact O-CB 3.48Å; N911-D915 PolarHBondContact O-N 3.43Å; I912-D915 PolarHBondContact O-N 3.15Å; D915-W917 VanDerWaalsContact C-N 3.26Å; D915-W917 PolarHBondContact O-N 3.3Å; D915-E918 PolarHBondContact O-N 3.1Å; D915-Q919 WeakPolarHBondContact O-CG 3.44Å; D915-Q919 PolarHBondContact O-N 2.73Å
916	Q	95.5	Very high	92.1	Very high	5 Å²	5	40 Å²	40	2%	0.023	21%	0.211	C	C	.	.	H	α-helix	trans	-64.9	-33.4	178.2	-62.9	-62.7	-57.8	0	0	111.6	L860 V863 L864 I912 Q919 K920	L860-Q916 HydrophobicContact CB-CG 4.18Å; V863-Q916 HydrophobicContact CG1-CB 3.93Å; V863-Q916 HydrophobicContact CG1-CG 4.05Å; L864-Q916 HydrophobicContact CD1-CB 4.18Å; L864-Q916 HydrophobicContact CG-CB 4.36Å; I912-Q916 HydrophobicContact CG2-CG 4.22Å; I912-Q916 VanDerWaalsContact O-CG 3.3Å; I912-Q916 WeakPolarHBondContact O-CG 3.46Å; I912-Q916 PolarHBondContact O-N 3.44Å; Q916-Q919 PolarHBondContact O-N 2.99Å; Q916-K920 WeakPolarHBondContact O-CB 3.37Å; Q916-K920 PolarHBondContact O-N 3.17Å
917	W	95.4	Very high	92	Very high	3 Å²	3	44.3 Å²	44.3	1%	0.011	22%	0.223	C	C	.	.	H	α-helix	trans	-63.5	-46.8	172.7	-178.5	-97.6	0	0	0	112.3	L864 L875 E879 L913 L914 D915 Q919 K920 H921 C928 F931 L932	L864-W917 HydrophobicContact CD1-CE3 4.42Å; L864-W917 HydrophobicContact CD2-CB 4.48Å; L864-W917 HydrophobicContact CD2-CE3 4.19Å; L875-W917 HydrophobicContact CD1-CD2 4.35Å; L875-W917 HydrophobicContact CD1-CE3 3.91Å; L875-W917 HydrophobicContact CD1-CZ3 4.18Å; L875-W917 HydrophobicContact CD2-CB 3.62Å; L875-W917 HydrophobicContact CD2-CD2 3.55Å; L875-W917 HydrophobicContact CD2-CE3 3.92Å; L875-W917 HydrophobicContact CD2-CG 3.41Å; L875-W917 VanDerWaalsContact CD2-CG 3.41Å; L875-W917 HydrophobicContact CG-CD2 4.48Å; E879-W917 PolarHBondContact OE1-NE1 3.41Å; L913-W917 WeakPolarHBondContact O-CB 3.46Å; L913-W917 PolarHBondContact O-N 3.17Å; L914-W917 PolarHBondContact O-N 3.3Å; D915-W917 VanDerWaalsContact C-N 3.26Å; D915-W917 PolarHBondContact O-N 3.3Å; W917-Q919 VanDerWaalsContact C-N 3.35Å; W917-Q919 PolarHBondContact O-N 2.83Å; W917-K920 PolarHBondContact O-N 2.64Å; W917-H921 AromaticContact CD2-CD2 3.71Å; W917-H921 AromaticContact CE2-CD2 3.98Å; W917-H921 AromaticContact CE3-CD2 3.49Å; W917-H921 VanDerWaalsContact CE3-CD2 3.49Å; W917-H921 AromaticContact CE3-NE2 3.99Å; W917-H921 AromaticContact CH2-CD2 3.85Å; W917-H921 AromaticContact CZ3-CD2 3.56Å; W917-H921 AromaticContact CZ3-NE2 3.69Å; W917-H921 WeakPolarHBondContact O-CB 3.44Å; W917-H921 PolarHBondContact O-N 3.41Å; W917-C928 HydrophobicContact CH2-CB 3.9Å; W917-C928 HydrophobicContact CZ2-CB 3.49Å; W917-C928 VanDerWaalsContact CZ2-CB 3.49Å; W917-F931 HydrophobicContact CH2-CD1 4.19Å; W917-F931 HydrophobicContact CZ3-CD1 4.45Å; W917-L932 HydrophobicContact CH2-CD1 3.88Å; W917-L932 HydrophobicContact CH2-CD2 3.99Å; W917-L932 HydrophobicContact CH2-CG 3.66Å; W917-L932 HydrophobicContact CZ2-CD1 3.44Å; W917-L932 VanDerWaalsContact CZ2-CD1 3.44Å; W917-L932 HydrophobicContact CZ2-CD2 4.39Å; W917-L932 HydrophobicContact CZ2-CG 3.77Å
918	E	94.4	Very high	91.9	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.037	20%	0.197	C	C	.	.	H	α-helix	trans	-60.6	-43.5	173.8	-69	-52.2	116	0	0	111.6	R890 P893 L914 D915 K920 H921 C922 R925	R890-E918 IonicContact CZ-OE1 3.43Å; R890-E918 IonicContact NH2-OE1 3.33Å; R890-E918 PolarHBondContact NH2-OE1 3.08Å; R890-E918 IonicContact NH2-OE2 3.78Å; R890-E918 PolarHBondContact NH2-OE2 3Å; P893-E918 HydrophobicContact CB-CG 4.2Å; L914-E918 WeakPolarHBondContact O-CG 2.99Å; L914-E918 PolarHBondContact O-N 3.06Å; D915-E918 PolarHBondContact O-N 3.1Å; E918-K920 VanDerWaalsContact C-N 3.34Å; E918-K920 PolarHBondContact O-N 2.88Å; E918-H921 PolarHBondContact O-N 3.24Å; E918-C922 WeakPolarHBondContact O-CB 3.32Å; E918-C922 PolarHBondContact O-N 3.06Å; E918-C922 PolarHBondContact O-SG 3.22Å; E918-R925 IonicContact OE1-CZ 2.73Å; E918-R925 IonicContact OE1-NH1 3.88Å; E918-R925 IonicContact OE1-NH2 2.73Å; E918-R925 PolarHBondContact OE1-NH2 3.08Å; E918-R925 IonicContact OE2-CZ 3.45Å; E918-R925 IonicContact OE2-NH1 2.8Å; E918-R925 PolarHBondContact OE2-NH1 2.98Å; E918-R925 IonicContact OE2-NH2 3.75Å; E918-R925 PolarHBondContact OE2-NH2 2.94Å
919	Q	91.6	Very high	92	Very high	66 Å²	66	40.6 Å²	40.6	31%	0.308	20%	0.201	S	C	.	.	H	α-helix	trans	-60	-42.8	177.8	-68.2	-56.7	-15.6	0	0	112.5	Q895 S898 D915 Q916 W917	Q895-Q919 PolarHBondContact O-NE2 3.05Å; S898-Q919 PolarHBondContact OG-NE2 2.72Å; D915-Q919 WeakPolarHBondContact O-CG 3.44Å; D915-Q919 PolarHBondContact O-N 2.73Å; Q916-Q919 PolarHBondContact O-N 2.99Å; W917-Q919 VanDerWaalsContact C-N 3.35Å; W917-Q919 PolarHBondContact O-N 2.83Å
920	K	90.1	Very high	92	Very high	121 Å²	121	42.8 Å²	42.8	53%	0.526	22%	0.217	S	C	.	.	H	α-helix	trans	-75.7	-29.7	-177.8	-169.2	175.3	178	175.5	0	113.7	L864 Q916 W917 E918	L864-K920 HydrophobicContact CD1-CB 4.08Å; L864-K920 HydrophobicContact CD1-CD 3.57Å; L864-K920 HydrophobicContact CD1-CG 4.49Å; Q916-K920 WeakPolarHBondContact O-CB 3.37Å; Q916-K920 PolarHBondContact O-N 3.17Å; W917-K920 PolarHBondContact O-N 2.64Å; E918-K920 VanDerWaalsContact C-N 3.34Å; E918-K920 PolarHBondContact O-N 2.88Å
921	H	85.3	Confident	91.9	Very high	34 Å²	34	46.8 Å²	46.8	16%	0.157	23%	0.234	C	C	.	.	H	α-helix	trans	-127	-2.1	-164.9	-67.5	-61.1	0	0	0	116.6	W917 E918 N923 D924 C928	W917-H921 AromaticContact CD2-CD2 3.71Å; W917-H921 AromaticContact CE2-CD2 3.98Å; W917-H921 AromaticContact CE3-CD2 3.49Å; W917-H921 VanDerWaalsContact CE3-CD2 3.49Å; W917-H921 AromaticContact CE3-NE2 3.99Å; W917-H921 AromaticContact CH2-CD2 3.85Å; W917-H921 AromaticContact CZ3-CD2 3.56Å; W917-H921 AromaticContact CZ3-NE2 3.69Å; W917-H921 WeakPolarHBondContact O-CB 3.44Å; W917-H921 PolarHBondContact O-N 3.41Å; E918-H921 PolarHBondContact O-N 3.24Å; H921-N923 VanDerWaalsContact C-N 3.26Å; H921-N923 PolarHBondContact O-N 3.11Å; H921-D924 CarbonylContact O-C 3.6Å; H921-D924 PolarHBondContact O-N 3.38Å; H921-C928 HydrophobicContact CB-CB 3.53Å
922	C	79.8	Confident	91.9	Very high	29 Å²	29	46.7 Å²	46.7	20%	0.196	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.5	-40.4	175.8	49.2	0	0	0	0	114.5	Q895 E918	Q895-C922 HydrophobicContact CB-CB 4.21Å; Q895-C922 VanDerWaalsContact CD-SG 3.58Å; Q895-C922 HydrophobicContact CG-CB 4.27Å; Q895-C922 PolarHBondContact NE2-SG 3.08Å; E918-C922 WeakPolarHBondContact O-CB 3.32Å; E918-C922 PolarHBondContact O-N 3.06Å; E918-C922 PolarHBondContact O-SG 3.22Å
923	N	81.7	Confident	92	Very high	140 Å²	140	52.3 Å²	52.3	75%	0.749	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-16.9	-175	-63.2	-16.7	0	0	0	114	Q895 H921	Q895-N923 PolarHBondContact NE2-OD1 2.97Å; H921-N923 VanDerWaalsContact C-N 3.26Å; H921-N923 PolarHBondContact O-N 3.11Å
924	D	86.1	Confident	91.9	Very high	54 Å²	54	56.5 Å²	56.5	29%	0.289	28%	0.276	S	S	.	.			trans	-145.4	80.7	178.3	-168.4	-28.1	0	0	0	110.7	H921 T926 K927 C928	H921-D924 CarbonylContact O-C 3.6Å; H921-D924 PolarHBondContact O-N 3.38Å; D924-T926 VanDerWaalsContact C-N 3.32Å; D924-T926 PolarHBondContact OD1-N 3.33Å; D924-K927 WeakPolarHBondContact OD1-CB 3.41Å; D924-K927 WeakPolarHBondContact OD1-CG 3.1Å; D924-K927 PolarHBondContact OD1-N 3.32Å; D924-K927 WeakPolarHBondContact OD2-CD 3.45Å; D924-K927 WeakPolarHBondContact OD2-CE 3.47Å; D924-K927 WeakPolarHBondContact OD2-CG 3.49Å; D924-K927 IonicContact OD2-NZ 3.11Å; D924-K927 PolarHBondContact OD2-NZ 3.15Å; D924-C928 PolarHBondContact O-N 3.32Å
925	R	89.7	Confident	91.9	Very high	58 Å²	58	56.9 Å²	56.9	22%	0.219	28%	0.278	C	S	.	.	H	α-helix	trans	-74.8	-23.3	-178.6	-135.7	163	-170.6	106.4	17.3	112.9	E879 E918 C928 I929	E879-R925 VanDerWaalsContact CD-NH2 3.26Å; E879-R925 IonicContact OE1-CZ 3.17Å; E879-R925 IonicContact OE1-NE 3.68Å; E879-R925 PolarHBondContact OE1-NE 3.18Å; E879-R925 IonicContact OE1-NH2 2.93Å; E879-R925 PolarHBondContact OE1-NH2 3.44Å; E879-R925 IonicContact OE2-CZ 2.76Å; E879-R925 IonicContact OE2-NE 2.63Å; E879-R925 PolarHBondContact OE2-NE 2.93Å; E879-R925 IonicContact OE2-NH2 3.78Å; E879-R925 PolarHBondContact OE2-NH2 3.41Å; E879-R925 VanDerWaalsContact OE2-NH2 3.1Å; E918-R925 IonicContact OE1-CZ 2.73Å; E918-R925 IonicContact OE1-NH1 3.88Å; E918-R925 IonicContact OE1-NH2 2.73Å; E918-R925 PolarHBondContact OE1-NH2 3.08Å; E918-R925 IonicContact OE2-CZ 3.45Å; E918-R925 IonicContact OE2-NH1 2.8Å; E918-R925 PolarHBondContact OE2-NH1 2.98Å; E918-R925 IonicContact OE2-NH2 3.75Å; E918-R925 PolarHBondContact OE2-NH2 2.94Å; R925-C928 PolarHBondContact O-N 2.74Å; R925-C928 PolarHBondContact O-SG 3.48Å; R925-C928 VanDerWaalsContact O-SG 3.32Å; R925-I929 HydrophobicContact CG-CD1 4.31Å; R925-I929 WeakPolarHBondContact O-CB 3.25Å; R925-I929 WeakPolarHBondContact O-CD1 3.41Å; R925-I929 VanDerWaalsContact O-CG1 3.25Å; R925-I929 WeakPolarHBondContact O-CG1 3.3Å; R925-I929 PolarHBondContact O-N 3.2Å
926	T	91.4	Very high	91.9	Very high	107 Å²	107	56.9 Å²	56.9	66%	0.656	28%	0.278	S	S	*	.	H	α-helix	trans	-66	-43.7	176.6	-53.6	0	0	0	0	111.1	D924 S930	D924-T926 VanDerWaalsContact C-N 3.32Å; D924-T926 PolarHBondContact OD1-N 3.33Å; T926-S930 VanDerWaalsContact O-CB 3.29Å; T926-S930 WeakPolarHBondContact O-CB 3.39Å; T926-S930 PolarHBondContact O-N 3.18Å; T926-S930 PolarHBondContact O-OG 3.12Å
927	K	90.6	Very high	91.9	Very high	146 Å²	146	62.8 Å²	62.8	64%	0.635	31%	0.306	S	S	*	.	H	α-helix	trans	-64.6	-42.4	173.5	-73.4	-173.7	-175.3	105.8	0	112	D924 S930 F931	D924-K927 WeakPolarHBondContact OD1-CB 3.41Å; D924-K927 WeakPolarHBondContact OD1-CG 3.1Å; D924-K927 PolarHBondContact OD1-N 3.32Å; D924-K927 WeakPolarHBondContact OD2-CD 3.45Å; D924-K927 WeakPolarHBondContact OD2-CE 3.47Å; D924-K927 WeakPolarHBondContact OD2-CG 3.49Å; D924-K927 IonicContact OD2-NZ 3.11Å; D924-K927 PolarHBondContact OD2-NZ 3.15Å; K927-S930 PolarHBondContact O-N 3.21Å; K927-F931 WeakPolarHBondContact O-CB 3.49Å; K927-F931 PolarHBondContact O-N 3.3Å
928	C	89.9	Confident	91.9	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-71	-39.5	-176.5	89.6	0	0	0	0	113.1	W917 H921 D924 R925 S930 F931 L932	W917-C928 HydrophobicContact CH2-CB 3.9Å; W917-C928 HydrophobicContact CZ2-CB 3.49Å; W917-C928 VanDerWaalsContact CZ2-CB 3.49Å; H921-C928 HydrophobicContact CB-CB 3.53Å; D924-C928 PolarHBondContact O-N 3.32Å; R925-C928 PolarHBondContact O-N 2.74Å; R925-C928 PolarHBondContact O-SG 3.48Å; R925-C928 VanDerWaalsContact O-SG 3.32Å; C928-S930 VanDerWaalsContact C-N 3.35Å; C928-F931 PolarHBondContact O-N 3.17Å; C928-L932 PolarHBondContact O-N 3.39Å
929	I	94.8	Very high	91.8	Very high	43 Å²	43	69.2 Å²	69.2	22%	0.221	34%	0.337	C	S	.	.	H	α-helix	trans	-62.5	-44.2	171.4	-69	165.3	0	0	0	109.6	L445 F446 R925 F931 L932 R933	L445-I929 HydrophobicContact CB-CG2 4.48Å; L445-I929 HydrophobicContact CD1-CD1 4.15Å; L445-I929 HydrophobicContact CD1-CG2 4.38Å; F446-I929 HydrophobicContact CE1-CG2 4.06Å; F446-I929 HydrophobicContact CZ-CG1 4.48Å; F446-I929 HydrophobicContact CZ-CG2 4.29Å; R925-I929 HydrophobicContact CG-CD1 4.31Å; R925-I929 WeakPolarHBondContact O-CB 3.25Å; R925-I929 WeakPolarHBondContact O-CD1 3.41Å; R925-I929 VanDerWaalsContact O-CG1 3.25Å; R925-I929 WeakPolarHBondContact O-CG1 3.3Å; R925-I929 PolarHBondContact O-N 3.2Å; I929-F931 VanDerWaalsContact C-N 3.33Å; I929-F931 PolarHBondContact O-N 3.46Å; I929-L932 PolarHBondContact O-N 3.21Å; I929-R933 WeakPolarHBondContact O-CB 3.31Å; I929-R933 PolarHBondContact O-N 2.75Å
930	S	96	Very high	91.9	Very high	54 Å²	54	66.4 Å²	66.4	38%	0.378	32%	0.324	S	S	.	.	H	α-helix	trans	-61.5	-38.9	178.1	-61.6	0	0	0	0	113	T926 K927 C928 R933 L934	T926-S930 VanDerWaalsContact O-CB 3.29Å; T926-S930 WeakPolarHBondContact O-CB 3.39Å; T926-S930 PolarHBondContact O-N 3.18Å; T926-S930 PolarHBondContact O-OG 3.12Å; K927-S930 PolarHBondContact O-N 3.21Å; C928-S930 VanDerWaalsContact C-N 3.35Å; S930-R933 PolarHBondContact O-N 3.27Å; S930-L934 PolarHBondContact O-N 3.25Å; S930-L934 VanDerWaalsContact O-N 3.15Å
931	F	94.9	Very high	92	Very high	97 Å²	97	60.8 Å²	60.8	43%	0.425	30%	0.299	S	S	.	.	H	α-helix	trans	-66.7	-50.8	175.8	176.2	-112.6	0	0	0	112.2	L867 W917 K927 C928 I929 R933 L934 L935	L867-F931 HydrophobicContact CD1-CE1 3.84Å; W917-F931 HydrophobicContact CH2-CD1 4.19Å; W917-F931 HydrophobicContact CZ3-CD1 4.45Å; K927-F931 WeakPolarHBondContact O-CB 3.49Å; K927-F931 PolarHBondContact O-N 3.3Å; C928-F931 PolarHBondContact O-N 3.17Å; I929-F931 VanDerWaalsContact C-N 3.33Å; I929-F931 PolarHBondContact O-N 3.46Å; F931-R933 VanDerWaalsContact C-N 3.26Å; F931-R933 PolarHBondContact O-N 3.46Å; F931-L934 WeakPolarHBondContact O-CB 3.3Å; F931-L934 PolarHBondContact O-N 3Å; F931-L934 VanDerWaalsContact O-N 3.17Å; F931-L935 HydrophobicContact CD1-CD1 4.44Å; F931-L935 HydrophobicContact CE1-CD1 3.88Å; F931-L935 HydrophobicContact CE2-CD1 4.44Å; F931-L935 HydrophobicContact CZ-CD1 3.88Å; F931-L935 HydrophobicContact CZ-CG 4.47Å; F931-L935 PolarHBondContact O-N 3.32Å; F931-L935 VanDerWaalsContact O-N 3.16Å
932	L	96.3	Very high	92.3	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-60.6	-36.5	175	-72.5	176.5	0	0	0	111.9	F446 V872 L875 E879 W917 C928 I929 L934 L935 C936	F446-L932 HydrophobicContact CD1-CB 3.96Å; F446-L932 HydrophobicContact CE1-CB 3.49Å; F446-L932 VanDerWaalsContact CE1-CB 3.49Å; F446-L932 HydrophobicContact CE1-CD1 4.29Å; F446-L932 HydrophobicContact CZ-CB 4.22Å; F446-L932 HydrophobicContact CZ-CD1 4.19Å; V872-L932 HydrophobicContact CG1-CD2 4.36Å; L875-L932 HydrophobicContact CB-CD1 4Å; L875-L932 HydrophobicContact CB-CD2 3.88Å; L875-L932 HydrophobicContact CD1-CD2 4.31Å; E879-L932 HydrophobicContact CG-CD1 3.86Å; W917-L932 HydrophobicContact CH2-CD1 3.88Å; W917-L932 HydrophobicContact CH2-CD2 3.99Å; W917-L932 HydrophobicContact CH2-CG 3.66Å; W917-L932 HydrophobicContact CZ2-CD1 3.44Å; W917-L932 VanDerWaalsContact CZ2-CD1 3.44Å; W917-L932 HydrophobicContact CZ2-CD2 4.39Å; W917-L932 HydrophobicContact CZ2-CG 3.77Å; C928-L932 PolarHBondContact O-N 3.39Å; I929-L932 PolarHBondContact O-N 3.21Å; L932-L934 VanDerWaalsContact C-N 3.33Å; L932-L934 PolarHBondContact O-N 3.42Å; L932-L935 PolarHBondContact O-N 2.71Å; L932-C936 WeakPolarHBondContact O-CB 3.49Å; L932-C936 PolarHBondContact O-N 3.02Å; L932-C936 PolarHBondContact O-SG 2.94Å
933	R	96.9	Very high	92.6	Very high	132 Å²	132	65 Å²	65	50%	0.498	33%	0.33	S	S	.	.	H	α-helix	trans	-59.8	-41.5	175.7	-168.1	179.1	68.7	157.8	0.1	111.9	F446 P447 I929 S930 F931 C936 Q937	F446-R933 HydrophobicContact CD1-CB 4.29Å; P447-R933 HydrophobicContact CG-CG 4.2Å; I929-R933 WeakPolarHBondContact O-CB 3.31Å; I929-R933 PolarHBondContact O-N 2.75Å; S930-R933 PolarHBondContact O-N 3.27Å; F931-R933 VanDerWaalsContact C-N 3.26Å; F931-R933 PolarHBondContact O-N 3.46Å; R933-C936 PolarHBondContact O-N 3.4Å; R933-Q937 VanDerWaalsContact O-CB 3.3Å; R933-Q937 WeakPolarHBondContact O-CB 3.19Å; R933-Q937 PolarHBondContact O-N 2.87Å
934	L	96.8	Very high	92.6	Very high	88 Å²	88	60.3 Å²	60.3	46%	0.461	31%	0.308	S	S	.	.	H	α-helix	trans	-65.3	-42.3	174.8	-179.7	62.6	0	0	0	112.1	S930 F931 L932 Q937 K938	S930-L934 PolarHBondContact O-N 3.25Å; S930-L934 VanDerWaalsContact O-N 3.15Å; F931-L934 WeakPolarHBondContact O-CB 3.3Å; F931-L934 PolarHBondContact O-N 3Å; F931-L934 VanDerWaalsContact O-N 3.17Å; L932-L934 VanDerWaalsContact C-N 3.33Å; L932-L934 PolarHBondContact O-N 3.42Å; L934-Q937 PolarHBondContact O-N 3.08Å; L934-K938 WeakPolarHBondContact O-CG 3.43Å; L934-K938 PolarHBondContact O-N 3.41Å
935	L	96.1	Very high	92.3	Very high	9 Å²	9	63.5 Å²	63.5	5%	0.047	34%	0.335	C	S	.	.	H	α-helix	trans	-66	-38.1	176.7	-60.6	-175.3	0	0	0	112.2	L867 V872 F931 L932 K938 G939 I940	L867-L935 HydrophobicContact CD1-CD1 4.09Å; V872-L935 HydrophobicContact CG1-CB 3.85Å; V872-L935 HydrophobicContact CG1-CD1 4.35Å; V872-L935 HydrophobicContact CG2-CB 4.43Å; V872-L935 HydrophobicContact CG2-CD1 3.74Å; F931-L935 HydrophobicContact CD1-CD1 4.44Å; F931-L935 HydrophobicContact CE1-CD1 3.88Å; F931-L935 HydrophobicContact CE2-CD1 4.44Å; F931-L935 HydrophobicContact CZ-CD1 3.88Å; F931-L935 HydrophobicContact CZ-CG 4.47Å; F931-L935 PolarHBondContact O-N 3.32Å; F931-L935 VanDerWaalsContact O-N 3.16Å; L932-L935 PolarHBondContact O-N 2.71Å; L935-K938 CarbonylContact O-C 3.59Å; L935-K938 PolarHBondContact O-N 3.36Å; L935-G939 PolarHBondContact O-N 3.26Å; L935-I940 HydrophobicContact CB-CG1 4.46Å; L935-I940 WeakPolarHBondContact O-CG1 3.37Å; L935-I940 PolarHBondContact O-N 3.49Å; L935-I940 VanDerWaalsContact O-N 3.08Å
936	C	96.2	Very high	92	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-73.5	-32.3	176.6	-61.2	0	0	0	0	112.3	F446 L932 R933 K938 G939 H941	F446-C936 HydrophobicContact CB-CB 3.97Å; L932-C936 WeakPolarHBondContact O-CB 3.49Å; L932-C936 PolarHBondContact O-N 3.02Å; L932-C936 PolarHBondContact O-SG 2.94Å; R933-C936 PolarHBondContact O-N 3.4Å; C936-K938 VanDerWaalsContact C-N 3.31Å; C936-K938 PolarHBondContact O-N 2.96Å; C936-G939 WeakPolarHBondContact O-CA 3.46Å; C936-G939 PolarHBondContact O-N 3.36Å; C936-H941 WeakPolarHBondContact CA-ND1 3.5Å; C936-H941 PolarHBondContact O-CE1 2.87Å
937	Q	95.9	Very high	91.7	Very high	129 Å²	129	62 Å²	62	60%	0.603	33%	0.332	S	S	*	.	H	α-helix	trans	-64.7	-34.4	170.7	-172.1	175.2	-1.2	0	0	112.2	P447 R933 L934 G939	P447-Q937 HydrophobicContact CB-CB 4.41Å; P447-Q937 HydrophobicContact CG-CB 4.19Å; R933-Q937 VanDerWaalsContact O-CB 3.3Å; R933-Q937 WeakPolarHBondContact O-CB 3.19Å; R933-Q937 PolarHBondContact O-N 2.87Å; L934-Q937 PolarHBondContact O-N 3.08Å; Q937-G939 PolarHBondContact O-N 3.22Å
938	K	94.6	Very high	91.5	Very high	136 Å²	136	57.5 Å²	57.5	59%	0.591	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-3	168.5	-70.9	-177.2	176.1	-170.1	0	113.9	L934 L935 C936 I940	L934-K938 WeakPolarHBondContact O-CG 3.43Å; L934-K938 PolarHBondContact O-N 3.41Å; L935-K938 CarbonylContact O-C 3.59Å; L935-K938 PolarHBondContact O-N 3.36Å; C936-K938 VanDerWaalsContact C-N 3.31Å; C936-K938 PolarHBondContact O-N 2.96Å; K938-I940 VanDerWaalsContact C-N 3.3Å; K938-I940 HydrophobicContact CB-CD1 4.29Å; K938-I940 HydrophobicContact CB-CG1 3.98Å; K938-I940 PolarHBondContact O-N 3.05Å
939	G	93	Very high	91.4	Very high	11 Å²	11	58.5 Å²	58.5	11%	0.113	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.4	9	179	0	0	0	0	0	115.8	L935 C936 Q937 H941 L942	L935-G939 PolarHBondContact O-N 3.26Å; C936-G939 WeakPolarHBondContact O-CA 3.46Å; C936-G939 PolarHBondContact O-N 3.36Å; Q937-G939 PolarHBondContact O-N 3.22Å; G939-H941 PolarHBondContact O-N 3.16Å; G939-H941 VanDerWaalsContact O-N 3.11Å; G939-L942 VanDerWaalsContact O-CB 3.32Å; G939-L942 WeakPolarHBondContact O-CB 3.29Å; G939-L942 PolarHBondContact O-N 2.87Å
940	I	94.1	Very high	91	Very high	6 Å²	6	60.6 Å²	60.6	3%	0.031	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-55.7	-36.4	-170.3	-58.5	-61.1	0	0	0	112.6	P869 V872 L935 K938 L942 G943 S944 H949	P869-I940 WeakPolarHBondContact CA-O 3.18Å; P869-I940 WeakPolarHBondContact CB-O 3.24Å; V872-I940 HydrophobicContact CG2-CG2 3.98Å; L935-I940 HydrophobicContact CB-CG1 4.46Å; L935-I940 WeakPolarHBondContact O-CG1 3.37Å; L935-I940 PolarHBondContact O-N 3.49Å; L935-I940 VanDerWaalsContact O-N 3.08Å; K938-I940 VanDerWaalsContact C-N 3.3Å; K938-I940 HydrophobicContact CB-CD1 4.29Å; K938-I940 HydrophobicContact CB-CG1 3.98Å; K938-I940 PolarHBondContact O-N 3.05Å; I940-L942 PolarHBondContact O-N 3.44Å; I940-G943 CarbonylContact O-C 3.37Å; I940-G943 PolarHBondContact O-N 3.17Å; I940-S944 WeakPolarHBondContact CD1-OG 3.35Å; I940-H949 HydrophobicContact CG2-CB 4.21Å
941	H	92.9	Very high	90.8	Very high	4 Å²	4	59 Å²	59	2%	0.019	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-65.7	-17	177.6	63.3	-60.5	0	0	0	114.5	L448 V872 R873 C936 G939	L448-H941 PolarHBondContact O-NE2 3.46Å; L448-H941 VanDerWaalsContact O-NE2 3.12Å; V872-H941 HydrophobicContact CB-CB 4.44Å; V872-H941 HydrophobicContact CG1-CB 4.12Å; R873-H941 HydrophobicContact CB-CB 4.01Å; R873-H941 HydrophobicContact CG-CB 4.5Å; R873-H941 VanDerWaalsContact CZ-O 3.28Å; R873-H941 PolarHBondContact NE-O 3.39Å; R873-H941 PolarHBondContact NH2-O 2.79Å; C936-H941 WeakPolarHBondContact CA-ND1 3.5Å; C936-H941 PolarHBondContact O-CE1 2.87Å; G939-H941 PolarHBondContact O-N 3.16Å; G939-H941 VanDerWaalsContact O-N 3.11Å
942	L	90.7	Very high	90.2	Very high	112 Å²	112	56.1 Å²	56.1	59%	0.586	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-86.1	-16.8	174.1	-53.5	179.6	0	0	0	112.1	L448 G939 I940	L448-L942 HydrophobicContact CB-CD1 4.26Å; L448-L942 HydrophobicContact CD1-CD1 4.15Å; G939-L942 VanDerWaalsContact O-CB 3.32Å; G939-L942 WeakPolarHBondContact O-CB 3.29Å; G939-L942 PolarHBondContact O-N 2.87Å; I940-L942 PolarHBondContact O-N 3.44Å
943	G	87	Confident	89	Confident	39 Å²	39	62.6 Å²	62.6	40%	0.402	34%	0.342	S	S	.	.			trans	131.6	154.6	-170.1	0	0	0	0	0	110.1	I940	I940-G943 CarbonylContact O-C 3.37Å; I940-G943 PolarHBondContact O-N 3.17Å
944	S	81.6	Confident	87.3	Confident	42 Å²	42	60.5 Å²	60.5	29%	0.294	35%	0.348	S	S	.	.			trans	-149.9	147.7	177	-171.1	0	0	0	0	111.6	I940 D946	I940-S944 WeakPolarHBondContact CD1-OG 3.35Å; S944-D946 VanDerWaalsContact OG-CB 3.3Å; S944-D946 WeakPolarHBondContact OG-CB 3.21Å; S944-D946 PolarHBondContact OG-N 3.15Å
945	S	79.3	Confident	85.5	Confident	121 Å²	121	61.6 Å²	61.6	85%	0.846	35%	0.346	S	S	*	.			trans	-101.9	1.7	166.4	-53.2	0	0	0	0	112.1	S947	S945-S947 PolarHBondContact O-N 3.34Å
946	D	84.1	Confident	83.4	Confident	66 Å²	66	62.7 Å²	62.7	35%	0.353	35%	0.354	S	S	.	.			trans	-71.4	118.6	177.8	-178.1	-3.1	0	0	0	110.2	S944 A948 H949 M950	S944-D946 VanDerWaalsContact OG-CB 3.3Å; S944-D946 WeakPolarHBondContact OG-CB 3.21Å; S944-D946 PolarHBondContact OG-N 3.15Å; D946-A948 PolarHBondContact O-N 3.5Å; D946-A948 VanDerWaalsContact O-N 3.08Å; D946-A948 VanDerWaalsContact OD1-CB 3.31Å; D946-A948 WeakPolarHBondContact OD1-CB 3.37Å; D946-A948 PolarHBondContact OD1-N 2.84Å; D946-H949 PolarHBondContact O-N 3.41Å; D946-H949 IonicContact OD2-CD2 2.75Å; D946-M950 PolarHBondContact O-N 3.39Å
947	S	83.4	Confident	81.1	Confident	68 Å²	68	69.1 Å²	69.1	48%	0.476	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-59.1	-21.5	178.2	85.4	0	0	0	0	113.3	S945 H949 M950 R955	S945-S947 PolarHBondContact O-N 3.34Å; S947-H949 PolarHBondContact O-N 3.01Å; S947-M950 PolarHBondContact O-N 3.36Å; S947-R955 PolarHBondContact O-NH1 3.05Å; S947-R955 PolarHBondContact O-NH2 2.94Å; S947-R955 PolarHBondContact OG-NH2 3.46Å
948	A	86.2	Confident	78.4	Confident	50 Å²	50	68.5 Å²	68.5	41%	0.413	39%	0.392	S	S	.	.	G	3₁₀ helix	trans	-65	-27	174.1	0	0	0	0	0	112.7	D946	D946-A948 PolarHBondContact O-N 3.5Å; D946-A948 VanDerWaalsContact O-N 3.08Å; D946-A948 VanDerWaalsContact OD1-CB 3.31Å; D946-A948 WeakPolarHBondContact OD1-CB 3.37Å; D946-A948 PolarHBondContact OD1-N 2.84Å
949	H	88.1	Confident	76.1	Confident	21 Å²	21	71.1 Å²	71.1	10%	0.097	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-102.8	0.5	179.8	-72.1	-73.2	0	0	0	113.8	L867 I940 D946 S947	L867-H949 PolarHBondContact O-ND1 2.93Å; I940-H949 HydrophobicContact CG2-CB 4.21Å; D946-H949 PolarHBondContact O-N 3.41Å; D946-H949 IonicContact OD2-CD2 2.75Å; S947-H949 PolarHBondContact O-N 3.01Å
950	M	87.8	Confident	73.5	Confident	87 Å²	87	76 Å²	76	43%	0.429	43%	0.426	S	S	.	.	S	Bend	trans	-93.1	128	171.5	-62.2	-177.8	72.8	0	0	110.6	D841 D946 S947	D841-M950 WeakPolarHBondContact OD2-CA 3.32Å; D946-M950 PolarHBondContact O-N 3.39Å; S947-M950 PolarHBondContact O-N 3.36Å
951	W	90.1	Very high	70.7	Confident	20 Å²	20	84 Å²	84	8%	0.076	46%	0.463	C	S	.	.			trans	-81.9	139.4	-176.3	-168	88.9	0	0	0	113	D841 V844 K845 F848 I866 T868 K953	D841-W951 HydrophobicContact CB-CB 4.29Å; D841-W951 WeakPolarHBondContact CB-O 3.49Å; D841-W951 PolarHBondContact OD2-N 2.84Å; V844-W951 HydrophobicContact CG1-CE3 4.25Å; V844-W951 HydrophobicContact CG1-CZ3 3.76Å; K845-W951 HydrophobicContact CB-CB 3.98Å; K845-W951 HydrophobicContact CB-CD2 3.73Å; K845-W951 HydrophobicContact CB-CE3 4.13Å; K845-W951 HydrophobicContact CB-CG 3.66Å; K845-W951 HydrophobicContact CD-CB 4.17Å; K845-W951 HydrophobicContact CD-CG 3.82Å; K845-W951 HydrophobicContact CG-CB 4.36Å; K845-W951 HydrophobicContact CG-CD2 3.96Å; K845-W951 HydrophobicContact CG-CG 3.72Å; F848-W951 HydrophobicContact CB-CH2 3.71Å; F848-W951 HydrophobicContact CB-CZ2 4.15Å; F848-W951 HydrophobicContact CB-CZ3 4.38Å; F848-W951 AromaticContact CD1-CH2 3.78Å; F848-W951 HydrophobicContact CD1-CH2 3.78Å; F848-W951 AromaticContact CD1-CZ2 3.47Å; F848-W951 HydrophobicContact CD1-CZ2 3.47Å; F848-W951 VanDerWaalsContact CD1-CZ2 3.47Å; F848-W951 AromaticContact CD2-CH2 3.86Å; F848-W951 HydrophobicContact CD2-CH2 3.86Å; F848-W951 HydrophobicContact CD2-CZ2 4.34Å; F848-W951 HydrophobicContact CE1-CH2 4.33Å; F848-W951 AromaticContact CE1-CZ2 3.86Å; F848-W951 HydrophobicContact CE1-CZ2 3.86Å; F848-W951 HydrophobicContact CE2-CH2 4.41Å; F848-W951 AromaticContact CG-CH2 3.5Å; F848-W951 HydrophobicContact CG-CH2 3.5Å; F848-W951 AromaticContact CG-CZ2 3.73Å; F848-W951 HydrophobicContact CG-CZ2 3.73Å; F848-W951 HydrophobicContact CZ-CZ2 4.44Å; I866-W951 HydrophobicContact CG2-CB 4.45Å; T868-W951 HydrophobicContact CG2-CB 4.34Å; W951-K953 HydrophobicContact CH2-CB 3.75Å; W951-K953 HydrophobicContact CH2-CG 4.21Å; W951-K953 HydrophobicContact CZ3-CB 3.89Å
952	S	83.9	Confident	68.1	Low	38 Å²	38	87.9 Å²	87.9	27%	0.266	50%	0.496	S	S	.	.			trans	-148.3	135.6	175.4	50.1	0	0	0	0	112.6	S954 R955	S952-S954 PolarHBondContact O-N 2.95Å; S952-S954 VanDerWaalsContact O-N 3.17Å; S952-R955 PolarHBondContact O-N 3.33Å; S952-R955 VanDerWaalsContact O-N 3.17Å
953	K	70.7	Confident	65.5	Low	136 Å²	136	91.7 Å²	91.7	59%	0.591	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-25.5	-173.8	-171.1	174.9	179.9	178.9	0	113.9	F848 W951	F848-K953 HydrophobicContact CD2-CD 4.39Å; F848-K953 HydrophobicContact CD2-CG 4.34Å; F848-K953 HydrophobicContact CE2-CD 4.43Å; F848-K953 HydrophobicContact CE2-CG 4.14Å; W951-K953 HydrophobicContact CH2-CB 3.75Å; W951-K953 HydrophobicContact CH2-CG 4.21Å; W951-K953 HydrophobicContact CZ3-CB 3.89Å
954	S	61.4	Low	62.7	Low	88 Å²	88	99.5 Å²	99.5	62%	0.615	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-40.2	176.5	44.2	0	0	0	0	112.6	S952 C956 K957	S952-S954 PolarHBondContact O-N 2.95Å; S952-S954 VanDerWaalsContact O-N 3.17Å; S954-C956 VanDerWaalsContact C-N 3.26Å; S954-C956 PolarHBondContact O-N 3.38Å; S954-K957 PolarHBondContact O-N 2.91Å
955	R	58.4	Low	60.5	Low	110 Å²	110	103.4 Å²	103.4	42%	0.415	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-68.5	-21.8	-177.6	-67.8	-176.7	177.7	170.9	1.5	113.9	I866 S947 S952 K957	I866-R955 HydrophobicContact CD1-CB 4.1Å; S947-R955 PolarHBondContact O-NH1 3.05Å; S947-R955 PolarHBondContact O-NH2 2.94Å; S947-R955 PolarHBondContact OG-NH2 3.46Å; S952-R955 PolarHBondContact O-N 3.33Å; S952-R955 VanDerWaalsContact O-N 3.17Å; R955-K957 VanDerWaalsContact C-N 3.34Å
956	C	52.9	Low	58.2	Low	33 Å²	33	101.1 Å²	101.1	22%	0.223	55%	0.553	C	S	.	*	G	3₁₀ helix	trans	-77.9	-14.9	178.8	-165.9	0	0	0	0	113.7	F848 S954	F848-C956 HydrophobicContact CZ-CB 4.38Å; S954-C956 VanDerWaalsContact C-N 3.26Å; S954-C956 PolarHBondContact O-N 3.38Å
957	K	47.2	Very low	55.8	Low	135 Å²	135	105 Å²	105	59%	0.587	58%	0.579	S	S	*	*	G	3₁₀ helix	trans	-76.1	-21.1	-171.7	-77.5	-166.5	165.4	-157.8	0	115.3	S954 R955 R959	S954-K957 PolarHBondContact O-N 2.91Å; R955-K957 VanDerWaalsContact C-N 3.34Å; K957-R959 PolarHBondContact O-N 3.39Å
958	S	40	Very low	53.3	Low	115 Å²	115	106.4 Å²	106.4	80%	0.804	59%	0.594	S	S	*	*	G	3₁₀ helix	trans	-69.4	-0.5	-168	52.4	0	0	0	0	115.7
959	R	45.5	Very low	50.5	Low	191 Å²	191	109.4 Å²	109.4	72%	0.721	61%	0.613	S	S	*	*	G	3₁₀ helix	trans	-122.6	-2.4	-170.7	-134.5	174.6	-177.2	-177.3	-3.3	115.7	D865 K957	D865-R959 IonicContact OD2-NH1 2.72Å; K957-R959 PolarHBondContact O-N 3.39Å
960	T	37.9	Very low	48.4	Very low	113 Å²	113	114.8 Å²	114.8	69%	0.693	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-127.1	-5.2	-172.4	-22.3	0	0	0	0	114.7
961	E	34.9	Very low	45.6	Very low	176 Å²	176	116.4 Å²	116.4	82%	0.822	67%	0.669	S	S	*	*			trans	-100.4	69.6	169.1	-72.7	-168.2	108.5	0	0	111
962	A	39.3	Very low	42.8	Very low	85 Å²	85	127 Å²	127	70%	0.702	71%	0.709	S	S	*	*			trans	-131	140.7	163.2	0	0	0	0	0	109.1
963	Q	35.4	Very low	40.2	Very low	192 Å²	192	130.1 Å²	130.1	90%	0.897	73%	0.731	S	S	*	*			trans	62.2	76.2	-178.1	-54.9	-170.1	5.1	0	0	116.6
964	K	28.9	Very low	38.3	Very low	203 Å²	203	134.5 Å²	134.5	88%	0.883	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-90.6	127.2	130.2	-82.4	-177	177	174.4	0	107.9	G966	K964-G966 PolarHBondContact O-N 2.73Å
965	P	35.8	Very low	36.6	Very low	124 Å²	124	136 Å²	136	81%	0.805	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-64.1	119.4	168.4	-19.3	32.2	0	0	0	109.5	V967	P965-V967 PolarHBondContact O-N 3.15Å
966	G	30.6	Very low	35.2	Very low	73 Å²	73	136.4 Å²	136.4	75%	0.753	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-70.3	125.3	172.5	0	0	0	0	0	110.2	K964 A968	K964-G966 PolarHBondContact O-N 2.73Å; G966-A968 PolarHBondContact O-N 2.63Å; G966-A968 VanDerWaalsContact O-N 3.15Å
967	V	32.9	Very low	33.9	Very low	148 Å²	148	140.6 Å²	140.6	90%	0.897	79%	0.788	S	S	*	*			trans	-68.8	110.6	170.6	177.1	0	0	0	0	107.9	P965	P965-V967 PolarHBondContact O-N 3.15Å
968	A	31.9	Very low	33	Very low	96 Å²	96	138.2 Å²	138.2	79%	0.793	79%	0.788	S	S	*	*			trans	-79.9	137.4	178.9	0	0	0	0	0	111.5	G966	G966-A968 PolarHBondContact O-N 2.63Å; G966-A968 VanDerWaalsContact O-N 3.15Å
969	S	27.7	Very low	32.4	Very low	114 Å²	114	141.6 Å²	141.6	80%	0.797	79%	0.791	S	S	*	*			trans	-130.4	136.2	160.8	53.7	0	0	0	0	108.6
970	P	43.1	Very low	31.5	Very low	134 Å²	134	140.6 Å²	140.6	87%	0.87	79%	0.794	S	S	*	*			trans	-103	148.4	-159	37.6	-35	0	0	0	115
971	S	28.8	Very low	31.1	Very low	121 Å²	121	142.3 Å²	142.3	85%	0.846	80%	0.799	S	S	*	*			trans	-140.8	148.9	158.6	56.2	0	0	0	0	111.1
972	R	32	Very low	30.8	Very low	242 Å²	242	138.4 Å²	138.4	91%	0.913	80%	0.797	S	S	*	*			trans	-76.4	170.4	179.6	-54	167.6	164.7	163.2	-8.1	109.2
973	S	28.3	Very low	30.3	Very low	103 Å²	103	138.7 Å²	138.7	72%	0.72	79%	0.794	S	S	*	*			cis	-169.3	155.2	25.7	55.8	0	0	0	0	113.7
974	R	30.8	Very low	30	Very low	228 Å²	228	137.1 Å²	137.1	86%	0.86	79%	0.792	S	S	*	*			trans	53.6	123.2	141.3	-88.2	-165.8	171.1	179.9	-2.7	120.1
975	V	26.9	Very low	30	Very low	119 Å²	119	130.9 Å²	130.9	72%	0.721	79%	0.785	S	S	*	*				74	127.6	86.7	156.4	0	0	0	0	111.7
976	V	27.6	Very low	29.5	Very low	119 Å²	119	133 Å²	133	72%	0.721	79%	0.79	S	S	*	*			cis	-167.3	158.2	12.9	103.7	0	0	0	0	114.7
977	V	26.8	Very low	29.4	Very low	122 Å²	122	134.9 Å²	134.9	74%	0.739	79%	0.789	S	S	*	*			trans	61.7	137.6	150.7	173	0	0	0	0	123.4
978	S	27.7	Very low	29.1	Very low	84 Å²	84	133.3 Å²	133.3	59%	0.587	79%	0.785	S	S	*	*			trans	-44.7	173.2	174.9	62.1	0	0	0	0	121.6
979	H	26.9	Very low	29.1	Very low	186 Å²	186	136.2 Å²	136.2	86%	0.861	79%	0.787	S	S	*	*				-147.7	170.2	113.9	-108.5	-77.1	0	0	0	112.8
980	H	28.3	Very low	30.2	Very low	171 Å²	171	136.2 Å²	136.2	79%	0.792	79%	0.785	S	S	*	*			trans	-110.7	177.4	-171.6	-100.6	-76.5	0	0	0	113.1
981	N	27.8	Very low	29.4	Very low	148 Å²	148	138.6 Å²	138.6	79%	0.791	78%	0.784	S	S	*	*			trans	97.9	121.1	167.3	-60.3	-8.2	0	0	0	114.4
982	A	29	Very low	29.3	Very low	94 Å²	94	137.6 Å²	137.6	78%	0.777	78%	0.777	S	S	*	*				85.4	144.8	57.9	0	0	0	0	0	111.7
983	S	28.6	Very low	30	Very low	92 Å²	92	130.9 Å²	130.9	64%	0.643	77%	0.765	S	S	*	*			cis	-158.7	-166.9	-13.3	50	0	0	0	0	109
984	D	29	Very low	30.1	Very low	159 Å²	159	130.7 Å²	130.7	85%	0.85	76%	0.764	S	S	*	*			trans	73.2	148.6	164.9	-41.6	-12.6	0	0	0	116.1
985	G	29	Very low	30.1	Very low	72 Å²	72	126.1 Å²	126.1	74%	0.742	76%	0.761	S	S	*	*			cis	-178.2	160.2	-8.2	0	0	0	0	0	114.8
986	D	27.1	Very low	30.1	Very low	169 Å²	169	125 Å²	125	90%	0.904	76%	0.759	S	S	*	*			trans	71.4	160.7	159.2	-120.1	-35.5	0	0	0	122.8
987	C	26.7	Very low	30.3	Very low	111 Å²	111	124.2 Å²	124.2	75%	0.75	76%	0.758	S	S	*	*			trans	-114.3	162.1	-171	-68.1	0	0	0	0	112.8
988	S	28.5	Very low	30.5	Very low	116 Å²	116	125.7 Å²	125.7	81%	0.811	76%	0.761	S	S	*	*				163.2	135.9	118.7	-70.6	0	0	0	0	113.8
989	D	31.1	Very low	30.6	Very low	156 Å²	156	128.2 Å²	128.2	83%	0.834	77%	0.767	S	S	*	*			trans	-74.1	-174.1	155.3	-66.1	-63.8	0	0	0	109.4
990	P	50.6	Low	30.8	Very low	115 Å²	115	124.3 Å²	124.3	75%	0.747	76%	0.761	S	S	*	*			cis	-148.2	-161.5	13.3	37.8	-11.9	0	0	0	117.2
991	E	26.4	Very low	31.1	Very low	183 Å²	183	120.2 Å²	120.2	86%	0.855	75%	0.752	S	S	*	*			trans	90.6	169.5	154.9	-60.8	-107.2	90.3	0	0	120
992	S	27.3	Very low	31.2	Very low	100 Å²	100	121.5 Å²	121.5	70%	0.699	75%	0.753	S	S	*	*			trans	-140.3	-160.1	-155.7	64.6	0	0	0	0	109.7
993	P	46.8	Very low	31.3	Very low	101 Å²	101	121 Å²	121	66%	0.656	74%	0.743	S	S	*	*			cis	-141.9	169.8	-5	40.3	-20.8	0	0	0	118.3
994	S	29	Very low	31.4	Very low	99 Å²	99	123.6 Å²	123.6	69%	0.692	76%	0.756	S	S	*	*			trans	72.9	154.4	138.5	72.9	0	0	0	0	124.2
995	V	30.3	Very low	31.3	Very low	133 Å²	133	118.9 Å²	118.9	81%	0.806	75%	0.745	S	S	*	*			trans	61.8	145.2	165.9	-114.2	0	0	0	0	117.1
996	S	28.5	Very low	31.5	Very low	96 Å²	96	121.6 Å²	121.6	67%	0.671	75%	0.752	S	S	*	*			cis	-150.7	161	10.2	-39.4	0	0	0	0	114.6
997	S	31.3	Very low	31.8	Very low	102 Å²	102	118.1 Å²	118.1	71%	0.713	74%	0.741	S	S	*	*			trans	4.9	154.9	137.4	68.3	0	0	0	0	121.4
998	L	31.1	Very low	32	Very low	153 Å²	153	119.3 Å²	119.3	80%	0.801	75%	0.745	S	S	*	*			cis	-173.1	-176.7	3.2	-119.2	172.9	0	0	0	111.6
999	L	30.6	Very low	32	Very low	137 Å²	137	119.1 Å²	119.1	72%	0.717	74%	0.742	S	S	*	*			trans	80.9	114.5	144.3	-87.4	164.3	0	0	0	123.1
1000	S	31.1	Very low	32	Very low	103 Å²	103	116.4 Å²	116.4	72%	0.72	74%	0.735	S	S	*	*			trans	66.9	150.9	131.5	63.9	0	0	0	0	121.8
1001	S	32.8	Very low	31.2	Very low	86 Å²	86	116.6 Å²	116.6	60%	0.601	74%	0.739	S	S	*	*			cis	-170.6	178.6	-17.3	57.7	0	0	0	0	111.1
1002	Q	31.4	Very low	31.4	Very low	174 Å²	174	112 Å²	112	81%	0.813	73%	0.733	S	S	*	*			trans	70.8	160.2	161.2	-68.5	171.5	66.2	0	0	118.2
1003	S	31.1	Very low	31.5	Very low	83 Å²	83	113.1 Å²	113.1	58%	0.58	74%	0.739	S	S	*	*				-177	158.3	-54.2	47.2	0	0	0	0	110.8
1004	T	29.1	Very low	30.5	Very low	147 Å²	147	114.1 Å²	114.1	90%	0.902	75%	0.749	S	S	*	*			trans	75.8	150.4	170.5	76.5	0	0	0	0	117.6
1005	G	27.8	Very low	30.5	Very low	61 Å²	61	114.9 Å²	114.9	63%	0.629	75%	0.754	S	S	*	*			cis	164.6	119.3	-15.7	0	0	0	0	0	116.2
1006	S	33	Very low	30.6	Very low	128 Å²	128	114.9 Å²	114.9	90%	0.895	76%	0.757	S	S	*	*			trans	66.4	171.3	170.4	85.8	0	0	0	0	115.9
1007	S	32.4	Very low	30.4	Very low	96 Å²	96	119 Å²	119	67%	0.671	77%	0.766	S	S	*	*			cis	-158.1	146.8	-0.6	65.9	0	0	0	0	113.9
1008	V	31.2	Very low	31.2	Very low	137 Å²	137	118.3 Å²	118.3	83%	0.83	76%	0.759	S	S	*	*			trans	71.3	159.4	139.9	173.8	0	0	0	0	121.3
1009	C	28.6	Very low	31	Very low	111 Å²	111	117 Å²	117	75%	0.75	76%	0.758	S	S	*	*			trans	-80.8	-173.4	-171.5	-51.7	0	0	0	0	113.9
1010	S	32	Very low	31.4	Very low	99 Å²	99	115.3 Å²	115.3	69%	0.692	75%	0.754	S	S	*	*			cis	-168.3	169.1	26.2	-35	0	0	0	0	113.5
1011	S	33.6	Very low	31.2	Very low	119 Å²	119	117.5 Å²	117.5	83%	0.832	76%	0.756	S	S	*	*			trans	63.2	155.5	152	47.4	0	0	0	0	120.6
1012	A	31.1	Very low	30.9	Very low	88 Å²	88	122 Å²	122	73%	0.727	77%	0.768	S	S	*	*			cis	-166	164.7	-18.2	0	0	0	0	0	112.7
1013	C	28	Very low	30.7	Very low	122 Å²	122	121.3 Å²	121.3	82%	0.824	77%	0.77	S	S	*	*			trans	48.6	125.2	153	-66	0	0	0	0	123.5
1014	S	26.5	Very low	30.4	Very low	122 Å²	122	125.5 Å²	125.5	85%	0.853	79%	0.785	S	S	*	*				-171.6	163.5	124.2	-83.4	0	0	0	0	112.4
1015	S	30	Very low	30.3	Very low	115 Å²	115	125.8 Å²	125.8	80%	0.804	78%	0.78	S	S	*	*			trans	-147.3	159.3	179	-54.7	0	0	0	0	111.6
1016	P	31.5	Very low	30.7	Very low	134 Å²	134	127.4 Å²	127.4	87%	0.87	78%	0.78	S	S	*	*				-141.7	-177.2	127	36.6	-21.7	0	0	0	114.9
1017	Q	24.7	Very low	30.4	Very low	182 Å²	182	129 Å²	129	85%	0.85	77%	0.773	S	S	*	*			trans	-145.6	-176.4	-173.2	-120.7	-163.5	22.1	0	0	108.4
1018	P	47.4	Very low	30.2	Very low	88 Å²	88	132.1 Å²	132.1	57%	0.571	78%	0.776	S	S	*	*			cis	-140.8	-161.1	-20.2	35.5	-13.1	0	0	0	114.9
1019	T	27.1	Very low	30	Very low	126 Å²	126	134.1 Å²	134.1	77%	0.773	77%	0.774	S	S	*	*			trans	76.9	156.2	151	48.7	0	0	0	0	121.5
1020	P	38.7	Very low	29.8	Very low	100 Å²	100	133.6 Å²	133.6	65%	0.649	77%	0.772	S	S	*	*			cis	-144.2	173.9	-31.3	38.9	-21.5	0	0	0	117.1
1021	I	27.4	Very low	29.6	Very low	149 Å²	149	133.6 Å²	133.6	76%	0.764	77%	0.772	S	S	*	*			trans	72.6	146.2	150.2	-76.7	159.8	0	0	0	116.6
1022	Q	26.4	Very low	29.5	Very low	182 Å²	182	141.2 Å²	141.2	85%	0.85	79%	0.791	S	S	*	*			cis	-142	168.5	15.7	-151.2	149.2	22.6	0	0	114.2
1023	N	27.3	Very low	29.4	Very low	158 Å²	158	143.9 Å²	143.9	85%	0.845	79%	0.794	S	S	*	*			trans	-98.2	162.4	175.7	-73.1	-45.4	0	0	0	113.5
1024	L	24.5	Very low	29.5	Very low	172 Å²	172	145 Å²	145	90%	0.901	79%	0.792	S	S	*	*			trans	-150.2	138.6	145.3	-108.2	171.6	0	0	0	113.4
1025	L	27.2	Very low	29.6	Very low	152 Å²	152	146.3 Å²	146.3	80%	0.796	79%	0.789	S	S	*	*			trans	-133.1	164.7	173.7	-102.4	168.8	0	0	0	105.7
1026	P	36	Very low	29.6	Very low	96 Å²	96	148.1 Å²	148.1	62%	0.623	79%	0.788	S	S	*	*				-159.8	-177.5	57	43.2	-20.1	0	0	0	118.9
1027	Q	26.5	Very low	29.5	Very low	161 Å²	161	149 Å²	149	75%	0.752	78%	0.783	S	S	*	*			trans	41.7	143.6	141.6	-66.5	162.9	-8.7	0	0	121.6
1028	H	27.6	Very low	29.8	Very low	161 Å²	161	146.8 Å²	146.8	75%	0.745	78%	0.778	S	S	*	*				-165.5	-142.2	64.3	-130.2	-69.7	0	0	0	114.9
1029	F	28.7	Very low	28.6	Very low	179 Å²	179	151 Å²	151	79%	0.785	79%	0.793	S	S	*	*			trans	-121.7	162.7	-151.3	-104.1	-106.7	0	0	0	117.4
1030	S	23.4	Very low	28.7	Very low	101 Å²	101	152.9 Å²	152.9	71%	0.706	79%	0.794	S	S	*	*			trans	75.7	151.8	139.8	61	0	0	0	0	124.2
1031	S	28.5	Very low	27.9	Very low	98 Å²	98	157.3 Å²	157.3	69%	0.685	81%	0.806	S	S	*	*			trans	56.9	117.1	157.9	58.6	0	0	0	0	120.9
1032	F	30.7	Very low	27.9	Very low	279 Å²	279	158.1 Å²	158.1	100%	1.224	81%	0.81	S	S	*	*				-155.1	0	101.8	-106.5	-72.4	0	0	0	111

Retrieved 1,032 of 1,032 residues in 292.5 ms (Link to these results)

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