A0A087XC88_POEFO Loading...

Serine/threonine-protein kinase

AlphaFold DB , UniProt , Accession A0A087XC88, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 911 aa.

						>A0A087XC88_POEFO|A0A087XC88
MHFLSSAFTESHHSAFSHVATGRNPMSASSPPSFPRAFLHSLHPLHPPSPGSPGPLYQRLSNGSHSAPSPTNSRSSFHGVSFLLQIGLTRETVNLEACDLSLSAVKDLVCSIVDQKFPECGFFGMYDKILLFRHDLNDENILQRLTSVEDIHEGDLIEVVLSAQATVEDFQIRPHALYVHSYKAPTFCDYCGEMLWGLVRQGLKCEGCGLNYHKRCAFKIPNNCTGVRKRRLSNVSLPGPSLSVPRALPAENTVVVPDEQQRSHQEAGKRILSWSGRPIWMDKMEKTRVKVPHTFAIHTYTRPTICQYCKRLLKGLFRQGMQCKDCRFNCHKRCASKVPRDCLGEVDFNGEPASPGPDSDTTMDMMEVDSGDMDGGRSLDDPDEPSTPDGMFSMDSPFTDREKDEEPIKTISPSTSSNIPLMRVVQSIKHTKRRSSTVVKEGWMVHYTSRDNLRKRHYWRLDSKSLSLFQNDTGAKFYKEIPLSEILQVEPFRDYSNLAQGSNPHCFEIITATMVYYVGENNSSHYHSPALAASGVGVEVAQGWEKAIRQALMPVTPQPSVASAAGQGRDHKELSISISVSNCQIQENVDIASIYQIFSDEVLGSGQFGIVYGGKHRKSGRDVAIKVIDKMRFPTKQESQLRNEVAILQNLHHPGIVNLECMFETPERVFVVMEKLHGDMLEMILSSEKSKLPERITKFLVTQILVALRHLHFKNIVHCDLKPENVLLASAEPFPQVKLCDFGFARIIGEKSFRRSVVGTPAYLAPEVLRSKGYNRSLDMWSVGVIVYVSLSGTFPFNEDEDINDQIQNAAFMYPPTPWKDISAEATDLINNLLQVKMRKRYSVDKCLSHPWLQDYQTWLDLRDFETRRGERYITHESDDARWEEYADEHNLPYPKHFIMAPNLDDMDEDP
					

Structure Viewer

Loading PAE data...

(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	36.9	Very low	26.5	Very low	235 Å²	235	150 Å²	150	100%	1.158	81%	0.81	S	S	*	*				0	123.7	0	-61.2	171.6	-178.1	0	0	106.9
2	H	23.6	Very low	26.4	Very low	199 Å²	199	153.9 Å²	153.9	92%	0.921	82%	0.819	S	S	*	*			trans	-156.6	169.7	169.1	-110	-80.3	0	0	0	110.2
3	F	25.3	Very low	26.4	Very low	189 Å²	189	155.2 Å²	155.2	83%	0.829	82%	0.817	S	S	*	*			trans	-98.7	163.9	-160	-99.5	-122	0	0	0	115.5
4	L	26.4	Very low	26.5	Very low	150 Å²	150	151 Å²	151	79%	0.785	81%	0.806	S	S	*	*			trans	-0.6	146.5	153.2	-54.1	174	0	0	0	120.6
5	S	26.4	Very low	27	Very low	104 Å²	104	147.3 Å²	147.3	73%	0.727	81%	0.805	S	S	*	*				132.6	122	113.4	-150.8	0	0	0	0	117.4
6	S	25.8	Very low	26.9	Very low	104 Å²	104	149.8 Å²	149.8	73%	0.727	81%	0.806	S	S	*	*			trans	50.2	152.9	133.3	66.1	0	0	0	0	124.9
7	A	26.8	Very low	27.1	Very low	84 Å²	84	146.3 Å²	146.3	69%	0.694	80%	0.796	S	S	*	*			trans	79.6	135.1	165.1	0	0	0	0	0	115.8
8	F	24.4	Very low	27.3	Very low	197 Å²	197	147.7 Å²	147.7	86%	0.864	80%	0.796	S	S	*	*				59.7	130.7	55.9	-74.5	-81.4	0	0	0	111.6
9	T	25.1	Very low	27.4	Very low	106 Å²	106	146.7 Å²	146.7	65%	0.65	80%	0.795	S	S	*	*			cis	-144.1	176.2	18.2	2.6	0	0	0	0	112.6
10	E	25	Very low	27.6	Very low	178 Å²	178	143.4 Å²	143.4	83%	0.832	79%	0.789	S	S	*	*			trans	13.6	152.5	138.8	-59.9	168	135	0	0	120.9
11	S	25.4	Very low	27.8	Very low	104 Å²	104	143.1 Å²	143.1	73%	0.727	79%	0.792	S	S	*	*			cis	-152.6	154.9	11.8	50.2	0	0	0	0	111.7
12	H	25.6	Very low	27.4	Very low	197 Å²	197	135.6 Å²	135.6	91%	0.912	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-98.7	123.5	161.1	-106.3	-79.3	0	0	0	109.5
13	H	26.9	Very low	27.8	Very low	171 Å²	171	138.2 Å²	138.2	79%	0.792	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-90.4	158.2	167.7	-126	-78.1	0	0	0	112
14	S	27.1	Very low	28.3	Very low	96 Å²	96	136.1 Å²	136.1	67%	0.671	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-63.6	147.7	-167.9	52.2	0	0	0	0	116.4
15	A	33.8	Very low	29.4	Very low	95 Å²	95	135.3 Å²	135.3	79%	0.785	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-72.8	162.4	175.5	0	0	0	0	0	114.3
16	F	26.4	Very low	29.9	Very low	187 Å²	187	138.7 Å²	138.7	82%	0.82	78%	0.783	S	S	*	*			trans	-150.2	124.4	163.8	-113.2	-85	0	0	0	111.7
17	S	29.4	Very low	30.1	Very low	91 Å²	91	140 Å²	140	64%	0.636	79%	0.793	S	S	*	*			trans	57.8	158.8	140.1	65	0	0	0	0	121.4
18	H	31.4	Very low	30.5	Very low	171 Å²	171	140.4 Å²	140.4	79%	0.792	80%	0.796	S	S	*	*			cis	-159.1	144.7	-11.3	-116.3	-43.2	0	0	0	110.1
19	V	29.3	Very low	30.8	Very low	129 Å²	129	136.8 Å²	136.8	78%	0.782	80%	0.795	S	S	*	*				41.7	134.8	128.6	166.1	0	0	0	0	121.6
20	A	30.8	Very low	31.3	Very low	81 Å²	81	137.1 Å²	137.1	67%	0.669	80%	0.802	S	S	*	*			trans	140.6	119.9	133.5	0	0	0	0	0	117.7
21	T	32	Very low	32.9	Very low	138 Å²	138	134.4 Å²	134.4	85%	0.847	80%	0.8	S	S	*	*			trans	37.4	114.3	136.8	63.4	0	0	0	0	123.5
22	G	29.4	Very low	34.2	Very low	77 Å²	77	134.6 Å²	134.6	79%	0.794	80%	0.798	S	S	*	*				95	135.8	92.7	0	0	0	0	0	122.6
23	R	31.1	Very low	34.4	Very low	254 Å²	254	130 Å²	130	96%	0.958	79%	0.788	S	S	*	*			trans	105.6	146.1	159.9	-65.9	-172.7	167.8	-175	-2.8	119.6
24	N	34.7	Very low	34.7	Very low	145 Å²	145	130.8 Å²	130.8	78%	0.775	79%	0.789	S	S	*	*			trans	-94.2	166.1	-178.2	-90.4	-9.1	0	0	0	112.3
25	P	50.4	Low	35.7	Very low	132 Å²	132	132.5 Å²	132.5	86%	0.857	80%	0.799	S	S	*	*				-140.1	-176.7	97	34.3	-17	0	0	0	115.3
26	M	36.3	Very low	35.6	Very low	175 Å²	175	138.6 Å²	138.6	86%	0.862	80%	0.801	S	S	*	*			trans	-112.5	155.7	-171.7	-58.7	173.8	167.6	0	0	114.1
27	S	30.8	Very low	35.9	Very low	133 Å²	133	134.2 Å²	134.2	93%	0.93	80%	0.799	S	S	*	*			trans	-174.9	168.1	130.5	57	0	0	0	0	112.6
28	A	34.2	Very low	35.9	Very low	91 Å²	91	137.9 Å²	137.9	75%	0.752	80%	0.804	S	S	*	*			trans	-121	177.8	-157.7	0	0	0	0	0	117.2
29	S	32.1	Very low	35.6	Very low	122 Å²	122	137 Å²	137	85%	0.853	80%	0.804	S	S	*	*			trans	94.5	152.8	151.5	72.5	0	0	0	0	122.2
30	S	35.1	Very low	35.7	Very low	113 Å²	113	138.7 Å²	138.7	79%	0.79	80%	0.804	S	S	*	*			trans	-96.6	-168	-167.5	-21.9	0	0	0	0	113
31	P	57.8	Low	35.6	Very low	121 Å²	121	139.9 Å²	139.9	79%	0.786	81%	0.807	S	S	*	*			cis	-128.9	-134	9.1	33.3	-6.2	0	0	0	111.1
32	P	52.5	Low	35.3	Very low	107 Å²	107	140.6 Å²	140.6	70%	0.695	81%	0.805	S	S	*	*			cis	-140.3	172.1	-17.8	42.2	-22.7	0	0	0	119.2
33	S	31.6	Very low	35.3	Very low	100 Å²	100	144.8 Å²	144.8	70%	0.699	80%	0.804	S	S	*	*			trans	46.5	120	141.7	64.8	0	0	0	0	126.3
34	F	32.6	Very low	36.1	Very low	188 Å²	188	137.9 Å²	137.9	83%	0.825	79%	0.791	S	S	*	*				25.7	143.6	121.6	-81.8	-64.9	0	0	0	123.1
35	P	47.3	Very low	35.8	Very low	133 Å²	133	137.6 Å²	137.6	86%	0.864	79%	0.789	S	S	*	*				-142.9	-168.2	85.1	39.9	-23.1	0	0	0	116.8
36	R	33.3	Very low	34.9	Very low	222 Å²	222	139.5 Å²	139.5	84%	0.838	79%	0.786	S	S	*	*			trans	-158.6	127.8	-165.9	176.7	-165.8	-169.4	-169.3	6.1	112.9
37	A	31.6	Very low	35.4	Very low	95 Å²	95	136.3 Å²	136.3	79%	0.785	78%	0.779	S	S	*	*			trans	171.4	164.5	167.5	0	0	0	0	0	112.2
38	F	30.1	Very low	36.3	Very low	169 Å²	169	135.5 Å²	135.5	74%	0.741	77%	0.77	S	S	*	*			cis	-172.1	168.3	-39.4	-129.8	-74.6	0	0	0	110.1
39	L	25.7	Very low	36	Very low	151 Å²	151	136.8 Å²	136.8	79%	0.791	77%	0.774	S	S	*	*			trans	75.8	167.5	163.7	-60.4	161	0	0	0	119.8
40	H	29.6	Very low	36.6	Very low	165 Å²	165	137.4 Å²	137.4	76%	0.764	78%	0.775	S	S	*	*				-169.7	174.5	-68.5	-120.1	-72.4	0	0	0	112
41	S	29	Very low	36.2	Very low	106 Å²	106	135.5 Å²	135.5	74%	0.741	77%	0.773	S	S	*	*			trans	79.9	145.1	167.7	-71	0	0	0	0	117.9
42	L	26.7	Very low	34.9	Very low	154 Å²	154	135.8 Å²	135.8	81%	0.806	78%	0.778	S	S	*	*			cis	-151.1	174.9	8.4	-118.4	160.2	0	0	0	113.7
43	H	28.6	Very low	34.6	Very low	165 Å²	165	137 Å²	137	76%	0.764	79%	0.785	S	S	*	*			trans	-63.5	-175.8	-174.5	-85.1	-73.5	0	0	0	118.1
44	P	48.9	Very low	34.4	Very low	108 Å²	108	135.5 Å²	135.5	70%	0.701	79%	0.786	S	S	*	*			cis	-141	159.5	9.2	21	6.8	0	0	0	121.9
45	L	28	Very low	35.3	Very low	140 Å²	140	132.1 Å²	132.1	73%	0.733	78%	0.783	S	S	*	*			trans	55.2	109.1	138.2	-53.6	170	0	0	0	126
46	H	30.4	Very low	34.5	Very low	172 Å²	172	133.6 Å²	133.6	80%	0.796	78%	0.783	S	S	*	*				53.7	164.7	124.3	-74	-79.5	0	0	0	125
47	P	47	Very low	34.3	Very low	107 Å²	107	133.1 Å²	133.1	70%	0.695	78%	0.782	S	S	*	*			cis	-138.3	-157.6	-36.1	41.1	-22.5	0	0	0	112.4
48	P	50	Low	34.1	Very low	116 Å²	116	135 Å²	135	75%	0.753	78%	0.775	S	S	*	*			cis	-122.4	173.5	-41.4	28	-8.2	0	0	0	114.7
49	S	28.2	Very low	34.1	Very low	119 Å²	119	136 Å²	136	83%	0.832	77%	0.774	S	S	*	*			trans	-157.9	149	158	-80.7	0	0	0	0	110.6
50	P	44.5	Very low	34.3	Very low	135 Å²	135	135.6 Å²	135.6	88%	0.877	77%	0.772	S	S	*	*			trans	-93.5	168.2	-177.9	36.7	-35.3	0	0	0	114.8
51	G	27.3	Very low	34.2	Very low	72 Å²	72	132.3 Å²	132.3	74%	0.742	77%	0.768	S	S	*	*			trans	-144.8	-161.5	-175.1	0	0	0	0	0	115.7
52	S	29.2	Very low	34.2	Very low	127 Å²	127	135.4 Å²	135.4	89%	0.888	78%	0.776	S	S	*	*			trans	-146	154.6	-169.9	-49	0	0	0	0	114.5
53	P	46	Very low	34.2	Very low	132 Å²	132	132 Å²	132	86%	0.857	78%	0.778	S	S	*	*			trans	-116.1	175.3	-170.7	42.5	-34.5	0	0	0	117.6
54	G	28.6	Very low	34.1	Very low	69 Å²	69	129.3 Å²	129.3	71%	0.711	78%	0.778	S	S	*	*			trans	-121.9	-138.6	163.5	0	0	0	0	0	110.9
55	P	50.4	Low	33.2	Very low	117 Å²	117	133 Å²	133	76%	0.76	79%	0.785	S	S	*	*			cis	-150.8	-162.7	-9.5	44.5	-23.3	0	0	0	116.6
56	L	30.4	Very low	33.3	Very low	165 Å²	165	132.4 Å²	132.4	86%	0.864	79%	0.793	S	S	*	*			trans	83.9	163	149.7	-75.4	173.2	0	0	0	124.9
57	Y	29.3	Very low	33.2	Very low	211 Å²	211	128.8 Å²	128.8	83%	0.827	79%	0.792	S	S	*	*			trans	-165	153.1	-167.3	-126.8	-64.5	0	0	0	114
58	Q	29.2	Very low	32.6	Very low	136 Å²	136	129.6 Å²	129.6	64%	0.636	80%	0.798	S	S	*	*			trans	72.9	153.4	162	-60.3	-163.2	-2.1	0	0	119.6
59	R	29.8	Very low	31.5	Very low	190 Å²	190	129.9 Å²	129.9	72%	0.717	80%	0.803	S	S	*	*			cis	-162.7	158.4	-3.1	-127	-165.9	-87.5	-172.2	-6.2	115.2
60	L	29.3	Very low	32.4	Very low	141 Å²	141	130 Å²	130	74%	0.738	80%	0.8	S	S	*	*			trans	75.6	115	145.8	-70.2	170.2	0	0	0	126.7
61	S	27.8	Very low	31.8	Very low	97 Å²	97	130.7 Å²	130.7	68%	0.678	80%	0.803	S	S	*	*				78.9	130.7	120.6	-67.7	0	0	0	0	127.6
62	N	28.4	Very low	32	Very low	170 Å²	170	135 Å²	135	91%	0.909	81%	0.809	S	S	*	*			trans	65.3	121.2	151.3	-74.7	19.1	0	0	0	122.3
63	G	26.3	Very low	32.1	Very low	83 Å²	83	134.6 Å²	134.6	86%	0.856	81%	0.806	S	S	*	*			trans	-171.5	136.9	165.7	0	0	0	0	0	113
64	S	26.8	Very low	31.7	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	81%	0.807	S	S	*	*			trans	-84	152.4	-168.5	173.7	0	0	0	0	115.9
65	H	31.1	Very low	32	Very low	185 Å²	185	142 Å²	142	86%	0.856	81%	0.813	S	S	*	*			trans	-13.4	134	163.2	-55.2	-92.8	0	0	0	120.1
66	S	28.5	Very low	31.4	Very low	128 Å²	128	141.4 Å²	141.4	90%	0.895	81%	0.812	S	S	*	*			trans	-160.5	161.9	135	60.6	0	0	0	0	110.8
67	A	29.4	Very low	32	Very low	95 Å²	95	142.5 Å²	142.5	79%	0.785	81%	0.81	S	S	*	*			trans	-98.1	153.9	-174.4	0	0	0	0	0	112.9
68	P	33.4	Very low	33.2	Very low	124 Å²	124	140.5 Å²	140.5	81%	0.805	81%	0.808	S	S	*	*			trans	-87.4	150.4	-174.6	34.7	-35.6	0	0	0	114
69	S	27.4	Very low	35	Very low	123 Å²	123	136 Å²	136	86%	0.86	80%	0.797	S	S	*	*			trans	-159.5	154.8	162.9	-86.4	0	0	0	0	110.7
70	P	48.2	Very low	37.4	Very low	121 Å²	121	128.6 Å²	128.6	79%	0.786	77%	0.774	S	S	*	*				-121	154.9	-128.1	39.7	-31.7	0	0	0	116.4
71	T	31.1	Very low	40.1	Very low	150 Å²	150	123.5 Å²	123.5	92%	0.92	75%	0.75	S	S	*	*			trans	-133.7	139	154.3	46.2	0	0	0	0	109.8
72	N	32.3	Very low	43.1	Very low	163 Å²	163	119 Å²	119	87%	0.872	72%	0.718	S	S	*	*			trans	-109.4	126.1	-168.2	-135.1	-24.7	0	0	0	110.4
73	S	30.6	Very low	45.9	Very low	118 Å²	118	114 Å²	114	83%	0.825	69%	0.69	S	S	*	*			trans	-142.9	118.5	157.2	52.6	0	0	0	0	110.2
74	R	37.3	Very low	49	Very low	236 Å²	236	110.1 Å²	110.1	89%	0.891	65%	0.65	S	S	*	*			trans	-67.9	127.9	-177.3	-69.1	166.1	160.7	170.3	-9.3	110.9
75	S	35.3	Very low	51.9	Low	120 Å²	120	106 Å²	106	84%	0.839	62%	0.619	S	S	*	*				164.2	99.4	96.7	60.7	0	0	0	0	111.4
76	S	38.4	Very low	54.4	Low	104 Å²	104	98.3 Å²	98.3	73%	0.727	58%	0.584	S	S	*	*			trans	-135.7	148	160.8	-169.4	0	0	0	0	107.9	H78	S76-H78 PolarHBondContact O-N 2.64Å
77	F	41.3	Very low	56.8	Low	188 Å²	188	94.5 Å²	94.5	83%	0.825	57%	0.565	S	S	*	*			trans	-77.2	114.3	-175.6	-70.1	-96.3	0	0	0	110	A97	F77-A97 HydrophobicContact CB-CB 4.05Å; F77-A97 HydrophobicContact CD1-CB 4.03Å
78	H	55.2	Low	59	Low	170 Å²	170	98.6 Å²	98.6	79%	0.787	57%	0.573	S	S	*	*			trans	-79.4	119.4	171.3	-77.1	-97.4	0	0	0	109.8	S76	S76-H78 PolarHBondContact O-N 2.64Å
79	G	66.9	Low	60.9	Low	40 Å²	40	94.9 Å²	94.9	41%	0.412	55%	0.548	S	S	.	.			trans	-80.5	169	157.7	0	0	0	0	0	111.2	L95	G79-L95 CarbonylContact C-O 3.58Å; G79-L95 WeakPolarHBondContact CA-O 3.32Å
80	V	81.1	Confident	63.8	Low	36 Å²	36	95.9 Å²	95.9	22%	0.218	53%	0.533	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.8	178.7	-175.5	0	0	0	0	109.6	F82 L95 I151	V80-F82 HydrophobicContact CG1-CD1 4.44Å; V80-L95 PolarHBondContact N-O 3.08Å; V80-L95 PolarHBondContact O-N 3.24Å; V80-I151 HydrophobicContact CG1-CG2 4.34Å
81	S	84.8	Confident	65.5	Low	33 Å²	33	92.4 Å²	92.4	23%	0.231	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	128.2	175.7	-165.6	0	0	0	0	110.8	V93 N94 E153 G154	S81-V93 CarbonylContact C-O 3.49Å; S81-V93 VanDerWaalsContact CA-O 3.32Å; S81-V93 WeakPolarHBondContact CA-O 3.37Å; S81-N94 VanDerWaalsContact CB-OD1 3.3Å; S81-N94 WeakPolarHBondContact CB-OD1 3.25Å; S81-N94 PolarHBondContact OG-OD1 2.92Å; S81-E153 CarbonylContact O-C 3.58Å; S81-E153 WeakPolarHBondContact O-CA 3.42Å; S81-G154 PolarHBondContact O-N 3.11Å
82	F	90.6	Very high	68.2	Low	4 Å²	4	90 Å²	90	2%	0.018	49%	0.491	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	168.8	-178.4	63.5	-91.5	0	0	0	112.2	V80 L84 V93 L95 V105 I151 D155 I157	V80-F82 HydrophobicContact CG1-CD1 4.44Å; F82-L84 HydrophobicContact CE2-CD1 4.29Å; F82-V93 HydrophobicContact CD1-CG1 4.31Å; F82-V93 HydrophobicContact CD2-CB 4.31Å; F82-V93 HydrophobicContact CE1-CB 4.32Å; F82-V93 HydrophobicContact CE1-CG1 3.65Å; F82-V93 HydrophobicContact CE2-CB 4.01Å; F82-V93 HydrophobicContact CE2-CG1 3.97Å; F82-V93 HydrophobicContact CZ-CB 4.02Å; F82-V93 HydrophobicContact CZ-CG1 3.46Å; F82-V93 VanDerWaalsContact CZ-CG1 3.46Å; F82-V93 PolarHBondContact N-O 3.44Å; F82-V93 PolarHBondContact O-N 3.18Å; F82-L95 HydrophobicContact CE1-CB 4.2Å; F82-V105 HydrophobicContact CZ-CG1 4.13Å; F82-I151 HydrophobicContact CB-CG2 4.29Å; F82-I151 HydrophobicContact CD1-CG2 3.72Å; F82-I151 HydrophobicContact CE1-CG2 4.1Å; F82-I151 HydrophobicContact CG-CG2 3.96Å; F82-D155 HydrophobicContact CB-CB 4.39Å; F82-I157 HydrophobicContact CD2-CB 4.12Å; F82-I157 HydrophobicContact CD2-CG1 3.63Å; F82-I157 HydrophobicContact CE2-CB 4.24Å; F82-I157 HydrophobicContact CE2-CG1 3.99Å; F82-I157 HydrophobicContact CG-CG1 4.35Å
83	L	89	Confident	70.7	Confident	63 Å²	63	82.6 Å²	82.6	33%	0.33	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	124.7	177.6	-78.3	162.5	0	0	0	110.6	D155 L156 I157	L83-D155 PolarHBondContact N-O 3.33Å; L83-L156 HydrophobicContact CB-CD1 3.76Å; L83-L156 WeakPolarHBondContact O-CA 3.08Å; L83-I157 PolarHBondContact O-N 2.69Å
84	L	90.4	Very high	73.3	Confident	2 Å²	2	82.7 Å²	82.7	1%	0.01	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	119.8	175.7	-169.6	76.2	0	0	0	109.9	F82 I86 R90 E91 V93 V109 I112 I157 V159	F82-L84 HydrophobicContact CE2-CD1 4.29Å; L84-I86 HydrophobicContact CD2-CD1 4.01Å; L84-I86 HydrophobicContact CD2-CG1 4.32Å; L84-I86 HydrophobicContact CG-CG1 4.35Å; L84-R90 WeakPolarHBondContact O-CA 3.43Å; L84-E91 PolarHBondContact N-O 2.21Å; L84-E91 PolarHBondContact O-N 3.32Å; L84-V93 HydrophobicContact CB-CG2 3.89Å; L84-V93 HydrophobicContact CD2-CG2 4.24Å; L84-V109 HydrophobicContact CD1-CG2 3.93Å; L84-V109 HydrophobicContact CD2-CG2 3.82Å; L84-V109 HydrophobicContact CG-CG2 4.46Å; L84-I112 HydrophobicContact CD2-CD1 3.74Å; L84-I157 CarbonylContact C-O 3.06Å; L84-I157 WeakPolarHBondContact CA-O 3.41Å; L84-I157 HydrophobicContact CD1-CB 4.46Å; L84-I157 HydrophobicContact CD1-CG2 4.37Å; L84-V159 HydrophobicContact CD1-CG2 3.57Å; L84-V159 HydrophobicContact CD2-CG2 4.33Å; L84-V159 HydrophobicContact CG-CG2 3.88Å
85	Q	87.3	Confident	75.3	Confident	22 Å²	22	71.9 Å²	71.9	10%	0.103	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.9	175.7	179.8	166.2	-69.4	0	0	111.1	G87 T89 R90 L156 I157 E158 V159	Q85-G87 WeakPolarHBondContact CG-O 3.45Å; Q85-T89 WeakPolarHBondContact CA-O 3.33Å; Q85-R90 HydrophobicContact CB-CG 4.24Å; Q85-R90 HydrophobicContact CG-CG 4.3Å; Q85-L156 HydrophobicContact CB-CD1 4.04Å; Q85-I157 PolarHBondContact N-O 2.92Å; Q85-E158 HydrophobicContact CB-CB 4.43Å; Q85-E158 HydrophobicContact CG-CG 4.5Å; Q85-E158 VanDerWaalsContact NE2-CD 3.28Å; Q85-E158 PolarHBondContact NE2-OE1 3.46Å; Q85-V159 PolarHBondContact O-N 2.99Å
86	I	84.4	Confident	77.3	Confident	25 Å²	25	72.5 Å²	72.5	13%	0.128	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	94	176.3	-49.5	-172.4	0	0	0	107.7	L84 L88 T89 I112 V113 F117 V159	L84-I86 HydrophobicContact CD2-CD1 4.01Å; L84-I86 HydrophobicContact CD2-CG1 4.32Å; L84-I86 HydrophobicContact CG-CG1 4.35Å; I86-L88 PolarHBondContact O-N 2.9Å; I86-T89 PolarHBondContact N-O 3.09Å; I86-T89 PolarHBondContact O-N 3.1Å; I86-I112 HydrophobicContact CD1-CG2 3.96Å; I86-V113 HydrophobicContact CD1-CG2 3.72Å; I86-V113 HydrophobicContact CG2-CG2 4.19Å; I86-F117 HydrophobicContact CG2-CE2 4.29Å; I86-V159 HydrophobicContact CD1-CG2 4.41Å; I86-V159 HydrophobicContact CG1-CB 4.17Å; I86-V159 HydrophobicContact CG1-CG2 3.89Å
87	G	79.3	Confident	78.5	Confident	48 Å²	48	69 Å²	69	50%	0.495	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	-117.1	-170.3	0	0	0	0	0	111.3	Q85	Q85-G87 WeakPolarHBondContact CG-O 3.45Å
88	L	74.7	Confident	79.3	Confident	180 Å²	180	65.4 Å²	65.4	94%	0.942	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-4.6	178	-59.3	179.9	0	0	0	113.8	I86	I86-L88 PolarHBondContact O-N 2.9Å
89	T	74.3	Confident	79.6	Confident	46 Å²	46	61.1 Å²	61.1	28%	0.282	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	142.7	-178.8	-59	0	0	0	0	110.6	Q85 I86 E91	Q85-T89 WeakPolarHBondContact CA-O 3.33Å; I86-T89 PolarHBondContact N-O 3.09Å; I86-T89 PolarHBondContact O-N 3.1Å; T89-E91 HydrophobicContact CG2-CG 4.47Å; T89-E91 WeakPolarHBondContact CG2-OE1 3.38Å
90	R	87.6	Confident	79.6	Confident	145 Å²	145	63.5 Å²	63.5	55%	0.547	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.2	176.7	-69.2	-179.4	176.7	179.6	-4.4	110.5	L84 Q85	L84-R90 WeakPolarHBondContact O-CA 3.43Å; Q85-R90 HydrophobicContact CB-CG 4.24Å; Q85-R90 HydrophobicContact CG-CG 4.3Å
91	E	84.1	Confident	79.5	Confident	48 Å²	48	63.9 Å²	63.9	22%	0.224	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	142.5	178	-54.2	-60.6	139.3	0	0	110.1	L84 T89 I112 K116	L84-E91 PolarHBondContact N-O 2.21Å; L84-E91 PolarHBondContact O-N 3.32Å; T89-E91 HydrophobicContact CG2-CG 4.47Å; T89-E91 WeakPolarHBondContact CG2-OE1 3.38Å; E91-I112 HydrophobicContact CG-CG2 4.07Å; E91-K116 VanDerWaalsContact CD-CE 3.45Å; E91-K116 WeakPolarHBondContact OE1-CE 3.2Å; E91-K116 IonicContact OE1-NZ 2.79Å; E91-K116 PolarHBondContact OE1-NZ 3.2Å; E91-K116 VanDerWaalsContact OE2-CE 3.3Å; E91-K116 WeakPolarHBondContact OE2-CE 3.49Å; E91-K116 IonicContact OE2-NZ 2.73Å; E91-K116 PolarHBondContact OE2-NZ 3.04Å
92	T	88	Confident	79.2	Confident	99 Å²	99	64.4 Å²	64.4	61%	0.607	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	126.6	170.5	-55.7	0	0	0	0	109.5
93	V	84.9	Confident	78.6	Confident	7 Å²	7	66.7 Å²	66.7	4%	0.042	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	137.2	179.2	165.2	0	0	0	0	109.1	S81 F82 L84 L108 I112	S81-V93 CarbonylContact C-O 3.49Å; S81-V93 VanDerWaalsContact CA-O 3.32Å; S81-V93 WeakPolarHBondContact CA-O 3.37Å; F82-V93 HydrophobicContact CD1-CG1 4.31Å; F82-V93 HydrophobicContact CD2-CB 4.31Å; F82-V93 HydrophobicContact CE1-CB 4.32Å; F82-V93 HydrophobicContact CE1-CG1 3.65Å; F82-V93 HydrophobicContact CE2-CB 4.01Å; F82-V93 HydrophobicContact CE2-CG1 3.97Å; F82-V93 HydrophobicContact CZ-CB 4.02Å; F82-V93 HydrophobicContact CZ-CG1 3.46Å; F82-V93 VanDerWaalsContact CZ-CG1 3.46Å; F82-V93 PolarHBondContact N-O 3.44Å; F82-V93 PolarHBondContact O-N 3.18Å; L84-V93 HydrophobicContact CB-CG2 3.89Å; L84-V93 HydrophobicContact CD2-CG2 4.24Å; V93-L108 HydrophobicContact CB-CD2 4.36Å; V93-L108 HydrophobicContact CG1-CD2 3.45Å; V93-L108 VanDerWaalsContact CG1-CD2 3.45Å; V93-L108 HydrophobicContact CG2-CD2 4Å; V93-I112 HydrophobicContact CG2-CD1 4.01Å
94	N	84.1	Confident	78.1	Confident	120 Å²	120	64.7 Å²	64.7	64%	0.642	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.4	122	166.6	-59.3	-36	0	0	0	107.6	S81	S81-N94 VanDerWaalsContact CB-OD1 3.3Å; S81-N94 WeakPolarHBondContact CB-OD1 3.25Å; S81-N94 PolarHBondContact OG-OD1 2.92Å
95	L	79.9	Confident	77.7	Confident	9 Å²	9	64.7 Å²	64.7	5%	0.047	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	119.6	176.8	-166.7	73.5	0	0	0	108.9	G79 V80 F82 D99 L100 V105 V148	G79-L95 CarbonylContact C-O 3.58Å; G79-L95 WeakPolarHBondContact CA-O 3.32Å; V80-L95 PolarHBondContact N-O 3.08Å; V80-L95 PolarHBondContact O-N 3.24Å; F82-L95 HydrophobicContact CE1-CB 4.2Å; L95-D99 HydrophobicContact CD1-CB 3.97Å; L95-D99 HydrophobicContact CG-CB 4.39Å; L95-L100 HydrophobicContact CD2-CD2 4.21Å; L95-V105 HydrophobicContact CD1-CG2 4.18Å; L95-V105 HydrophobicContact CD2-CG2 3.86Å; L95-V148 HydrophobicContact CD2-CG1 3.78Å
96	E	76.5	Confident	77.6	Confident	134 Å²	134	65.3 Å²	65.3	63%	0.626	37%	0.368	S	S	*	.			trans	-74.2	153.6	177.8	-66	-167.5	-168.6	0	0	111.3	C98 D99	E96-C98 PolarHBondContact O-N 2.99Å; E96-D99 PolarHBondContact O-N 2.96Å
97	A	63.7	Low	77.4	Confident	31 Å²	31	68.2 Å²	68.2	26%	0.256	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-14.1	-177.8	0	0	0	0	0	114.2	F77 L100	F77-A97 HydrophobicContact CB-CB 4.05Å; F77-A97 HydrophobicContact CD1-CB 4.03Å; A97-L100 HydrophobicContact CB-CD1 4.43Å
98	C	58.3	Low	77.5	Confident	111 Å²	111	68.6 Å²	68.6	75%	0.75	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-25	173	-59.4	0	0	0	0	112.9	E96	E96-C98 PolarHBondContact O-N 2.99Å
99	D	61.3	Low	77.8	Confident	81 Å²	81	60.1 Å²	60.1	43%	0.433	33%	0.33	S	S	.	.			trans	-108.7	19.9	-168.9	-62.1	-44.9	0	0	0	112.7	L95 E96 S101 A104	L95-D99 HydrophobicContact CD1-CB 3.97Å; L95-D99 HydrophobicContact CG-CB 4.39Å; E96-D99 PolarHBondContact O-N 2.96Å; D99-S101 PolarHBondContact O-N 2.81Å; D99-A104 HydrophobicContact CB-CB 4.08Å; D99-A104 WeakPolarHBondContact O-CB 3.26Å
100	L	67.4	Low	77.9	Confident	90 Å²	90	59 Å²	59	47%	0.471	32%	0.324	S	S	.	.			trans	-67.3	74.8	179.3	-70.2	169.4	0	0	0	112	L95 A97 V148	L95-L100 HydrophobicContact CD2-CD2 4.21Å; A97-L100 HydrophobicContact CB-CD1 4.43Å; L100-V148 HydrophobicContact CD2-CG1 3.73Å
101	S	78.9	Confident	77.3	Confident	43 Å²	43	55.6 Å²	55.6	30%	0.301	32%	0.322	S	S	.	.	S	Bend	trans	-154.1	141.7	175.9	71.5	0	0	0	0	111.7	D99 S103 A104 V105	D99-S101 PolarHBondContact O-N 2.81Å; S101-S103 WeakPolarHBondContact CB-OG 3.36Å; S101-S103 PolarHBondContact O-N 2.83Å; S101-S103 VanDerWaalsContact O-N 3.16Å; S101-S103 PolarHBondContact OG-OG 3.05Å; S101-A104 PolarHBondContact O-N 3.4Å; S101-A104 WeakPolarHBondContact OG-CB 3.49Å; S101-A104 PolarHBondContact OG-N 2.76Å; S101-A104 VanDerWaalsContact OG-N 3.17Å; S101-V105 PolarHBondContact O-N 3.28Å
102	L	78.1	Confident	77	Confident	45 Å²	45	54.3 Å²	54.3	24%	0.236	32%	0.316	C	S	.	.	H	α-helix	trans	-61.4	-26.5	179.3	-99.5	171.9	0	0	0	111.8	K106 L131 L145 T146 V148	L102-K106 VanDerWaalsContact O-CG 3.31Å; L102-K106 WeakPolarHBondContact O-CG 3.5Å; L102-K106 PolarHBondContact O-N 2.4Å; L102-K106 VanDerWaalsContact O-N 3.11Å; L102-L131 HydrophobicContact CD2-CD1 3.84Å; L102-L145 HydrophobicContact CD2-CB 4.44Å; L102-T146 VanDerWaalsContact CD1-C 3.46Å; L102-T146 WeakPolarHBondContact CD1-O 3.45Å; L102-V148 HydrophobicContact CB-CG2 4.34Å; L102-V148 HydrophobicContact CG-CG2 3.99Å; L102-V148 VanDerWaalsContact N-CG2 3.27Å
103	S	77.9	Confident	76.2	Confident	51 Å²	51	49.7 Å²	49.7	36%	0.357	29%	0.288	S	S	.	.	H	α-helix	trans	-54.5	-58.6	166.5	24.2	0	0	0	0	112.5	S101 V105 K106 D107 Y126	S101-S103 WeakPolarHBondContact CB-OG 3.36Å; S101-S103 PolarHBondContact O-N 2.83Å; S101-S103 VanDerWaalsContact O-N 3.16Å; S101-S103 PolarHBondContact OG-OG 3.05Å; S103-V105 VanDerWaalsContact C-N 3.31Å; S103-V105 PolarHBondContact O-N 3.06Å; S103-K106 CarbonylContact O-C 3.59Å; S103-K106 WeakPolarHBondContact O-CA 3.33Å; S103-K106 WeakPolarHBondContact O-CB 3.28Å; S103-K106 PolarHBondContact O-N 3.05Å; S103-D107 PolarHBondContact O-N 2.69Å; S103-Y126 WeakPolarHBondContact CA-OH 3.49Å; S103-Y126 WeakPolarHBondContact CB-OH 3.37Å; S103-Y126 PolarHBondContact O-OH 3.47Å
104	A	79.6	Confident	75.3	Confident	21 Å²	21	52.8 Å²	52.8	17%	0.174	31%	0.305	C	S	.	.	H	α-helix	trans	-62.4	-37	-177.4	0	0	0	0	0	112.7	D99 S101 K106 D107 L108	D99-A104 HydrophobicContact CB-CB 4.08Å; D99-A104 WeakPolarHBondContact O-CB 3.26Å; S101-A104 PolarHBondContact O-N 3.4Å; S101-A104 WeakPolarHBondContact OG-CB 3.49Å; S101-A104 PolarHBondContact OG-N 2.76Å; S101-A104 VanDerWaalsContact OG-N 3.17Å; A104-K106 VanDerWaalsContact C-N 3.33Å; A104-K106 PolarHBondContact O-N 2.92Å; A104-D107 PolarHBondContact O-N 2.82Å; A104-L108 WeakPolarHBondContact O-CB 3.36Å; A104-L108 PolarHBondContact O-N 3.01Å
105	V	81.9	Confident	74.4	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.012	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-40.6	173.7	-174.5	0	0	0	0	111	F82 L95 S101 S103 L108 V109 L131 V148 I151	F82-V105 HydrophobicContact CZ-CG1 4.13Å; L95-V105 HydrophobicContact CD1-CG2 4.18Å; L95-V105 HydrophobicContact CD2-CG2 3.86Å; S101-V105 PolarHBondContact O-N 3.28Å; S103-V105 VanDerWaalsContact C-N 3.31Å; S103-V105 PolarHBondContact O-N 3.06Å; V105-L108 PolarHBondContact O-N 2.87Å; V105-V109 WeakPolarHBondContact O-CG2 3.19Å; V105-V109 PolarHBondContact O-N 2.75Å; V105-L131 HydrophobicContact CB-CD1 4.16Å; V105-L131 HydrophobicContact CG1-CD1 3.57Å; V105-V148 HydrophobicContact CG2-CG2 4.13Å; V105-I151 HydrophobicContact CG2-CD1 4.43Å
106	K	84.4	Confident	73.6	Confident	36 Å²	36	58.3 Å²	58.3	16%	0.157	33%	0.325	C	S	.	.	H	α-helix	trans	-68	-39.4	174.5	-75.5	176	165.9	-151	0	113.3	L102 S103 A104 L108 V109 C110 Y126 I129	L102-K106 VanDerWaalsContact O-CG 3.31Å; L102-K106 WeakPolarHBondContact O-CG 3.5Å; L102-K106 PolarHBondContact O-N 2.4Å; L102-K106 VanDerWaalsContact O-N 3.11Å; S103-K106 CarbonylContact O-C 3.59Å; S103-K106 WeakPolarHBondContact O-CA 3.33Å; S103-K106 WeakPolarHBondContact O-CB 3.28Å; S103-K106 PolarHBondContact O-N 3.05Å; A104-K106 VanDerWaalsContact C-N 3.33Å; A104-K106 PolarHBondContact O-N 2.92Å; K106-L108 VanDerWaalsContact C-N 3.31Å; K106-V109 WeakPolarHBondContact O-CB 3.49Å; K106-V109 PolarHBondContact O-N 2.82Å; K106-C110 PolarHBondContact O-N 2.87Å; K106-C110 PolarHBondContact O-SG 3.24Å; K106-C110 VanDerWaalsContact O-SG 3.35Å; K106-Y126 HydrophobicContact CB-CD2 3.84Å; K106-Y126 HydrophobicContact CB-CE2 3.58Å; K106-Y126 PolarHBondContact NZ-O 2.96Å; K106-I129 WeakPolarHBondContact CE-O 3.34Å; K106-I129 HydrophobicContact CG-CB 4.42Å; K106-I129 HydrophobicContact CG-CG2 4.09Å; K106-I129 PolarHBondContact NZ-O 2.95Å
107	D	79.9	Confident	72.9	Confident	85 Å²	85	54.8 Å²	54.8	46%	0.455	31%	0.307	S	S	.	.	H	α-helix	trans	-63.7	-39.3	175.1	-75.2	-60.1	0	0	0	111.1	S103 A104 C110 S111 Y126	S103-D107 PolarHBondContact O-N 2.69Å; A104-D107 PolarHBondContact O-N 2.82Å; D107-C110 PolarHBondContact O-N 2.69Å; D107-S111 WeakPolarHBondContact O-CB 3.3Å; D107-S111 PolarHBondContact O-N 3.43Å; D107-Y126 HydrophobicContact CB-CE2 4.43Å; D107-Y126 VanDerWaalsContact CG-CE2 3.42Å; D107-Y126 VanDerWaalsContact OD1-CE2 3.32Å; D107-Y126 WeakPolarHBondContact OD1-CE2 3.39Å; D107-Y126 VanDerWaalsContact OD2-CE2 3.29Å; D107-Y126 WeakPolarHBondContact OD2-CE2 3.47Å; D107-Y126 PolarHBondContact OD2-OH 3.22Å
108	L	81.7	Confident	72.4	Confident	57 Å²	57	56.7 Å²	56.7	30%	0.298	32%	0.318	S	S	.	.	H	α-helix	trans	-66	-41	173.3	-176.3	60.5	0	0	0	112.4	V93 A104 V105 K106 C110 S111 I112	V93-L108 HydrophobicContact CB-CD2 4.36Å; V93-L108 HydrophobicContact CG1-CD2 3.45Å; V93-L108 VanDerWaalsContact CG1-CD2 3.45Å; V93-L108 HydrophobicContact CG2-CD2 4Å; A104-L108 WeakPolarHBondContact O-CB 3.36Å; A104-L108 PolarHBondContact O-N 3.01Å; V105-L108 PolarHBondContact O-N 2.87Å; K106-L108 VanDerWaalsContact C-N 3.31Å; L108-C110 PolarHBondContact O-N 2.78Å; L108-S111 WeakPolarHBondContact O-CB 3.22Å; L108-S111 PolarHBondContact O-N 2.84Å; L108-I112 HydrophobicContact CD1-CD1 4.15Å; L108-I112 HydrophobicContact CD1-CG1 4.29Å; L108-I112 HydrophobicContact CG-CD1 3.92Å; L108-I112 HydrophobicContact CG-CG1 4.48Å; L108-I112 WeakPolarHBondContact O-CB 3.44Å; L108-I112 VanDerWaalsContact O-CG1 3.32Å; L108-I112 WeakPolarHBondContact O-CG1 3.19Å; L108-I112 PolarHBondContact O-N 3.11Å
109	V	81.6	Confident	71.8	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.006	31%	0.31	C	S	.	.	H	α-helix	trans	-57	-47.7	172.1	168.4	0	0	0	0	111	L84 V105 K106 S111 I112 V113 I129 L131 V159	L84-V109 HydrophobicContact CD1-CG2 3.93Å; L84-V109 HydrophobicContact CD2-CG2 3.82Å; L84-V109 HydrophobicContact CG-CG2 4.46Å; V105-V109 WeakPolarHBondContact O-CG2 3.19Å; V105-V109 PolarHBondContact O-N 2.75Å; K106-V109 WeakPolarHBondContact O-CB 3.49Å; K106-V109 PolarHBondContact O-N 2.82Å; V109-S111 PolarHBondContact O-N 3.26Å; V109-I112 PolarHBondContact O-N 2.98Å; V109-V113 WeakPolarHBondContact O-CG2 3.46Å; V109-V113 PolarHBondContact O-N 3.29Å; V109-I129 HydrophobicContact CG1-CD1 4.07Å; V109-I129 HydrophobicContact CG1-CG2 4.42Å; V109-L131 HydrophobicContact CG2-CD2 4.14Å; V109-V159 HydrophobicContact CG1-CB 4.48Å; V109-V159 HydrophobicContact CG1-CG1 3.63Å; V109-V159 HydrophobicContact CG1-CG2 3.99Å; V109-V159 HydrophobicContact CG2-CG2 3.85Å
110	C	76.2	Confident	71.5	Confident	24 Å²	24	56.6 Å²	56.6	16%	0.162	31%	0.309	C	S	.	.	H	α-helix	trans	-59.6	-45.4	175.8	-69.8	0	0	0	0	111.7	K106 D107 L108 V113 D114 I129	K106-C110 PolarHBondContact O-N 2.87Å; K106-C110 PolarHBondContact O-SG 3.24Å; K106-C110 VanDerWaalsContact O-SG 3.35Å; D107-C110 PolarHBondContact O-N 2.69Å; L108-C110 PolarHBondContact O-N 2.78Å; C110-V113 PolarHBondContact O-N 3.47Å; C110-D114 PolarHBondContact O-N 3.22Å; C110-I129 VanDerWaalsContact SG-CD1 3.6Å
111	S	75.9	Confident	70.8	Confident	73 Å²	73	53.2 Å²	53.2	51%	0.51	30%	0.296	S	S	.	.	H	α-helix	trans	-60.7	-46.2	178.3	-172.4	0	0	0	0	112.6	D107 L108 V109 V113 D114 Q115	D107-S111 WeakPolarHBondContact O-CB 3.3Å; D107-S111 PolarHBondContact O-N 3.43Å; L108-S111 WeakPolarHBondContact O-CB 3.22Å; L108-S111 PolarHBondContact O-N 2.84Å; V109-S111 PolarHBondContact O-N 3.26Å; S111-V113 VanDerWaalsContact C-N 3.32Å; S111-V113 PolarHBondContact O-N 3.12Å; S111-D114 PolarHBondContact O-N 3.39Å; S111-Q115 WeakPolarHBondContact O-CB 3.37Å; S111-Q115 PolarHBondContact O-N 2.96Å
112	I	77.2	Confident	69.8	Low	20 Å²	20	52.6 Å²	52.6	10%	0.103	29%	0.288	C	S	.	.	H	α-helix	trans	-61.8	-40.6	176.6	-70.3	168.2	0	0	0	110.7	L84 I86 E91 V93 L108 V109 Q115 K116	L84-I112 HydrophobicContact CD2-CD1 3.74Å; I86-I112 HydrophobicContact CD1-CG2 3.96Å; E91-I112 HydrophobicContact CG-CG2 4.07Å; V93-I112 HydrophobicContact CG2-CD1 4.01Å; L108-I112 HydrophobicContact CD1-CD1 4.15Å; L108-I112 HydrophobicContact CD1-CG1 4.29Å; L108-I112 HydrophobicContact CG-CD1 3.92Å; L108-I112 HydrophobicContact CG-CG1 4.48Å; L108-I112 WeakPolarHBondContact O-CB 3.44Å; L108-I112 VanDerWaalsContact O-CG1 3.32Å; L108-I112 WeakPolarHBondContact O-CG1 3.19Å; L108-I112 PolarHBondContact O-N 3.11Å; V109-I112 PolarHBondContact O-N 2.98Å; I112-Q115 PolarHBondContact O-N 3.24Å; I112-K116 HydrophobicContact CG2-CG 4.16Å; I112-K116 VanDerWaalsContact O-CB 3.26Å; I112-K116 WeakPolarHBondContact O-CB 3.37Å; I112-K116 WeakPolarHBondContact O-CG 3.45Å; I112-K116 PolarHBondContact O-N 3.43Å
113	V	71.4	Confident	68.4	Low	3 Å²	3	57 Å²	57	2%	0.018	31%	0.306	C	S	.	.	H	α-helix	trans	-70.5	-45.9	178.6	171.5	0	0	0	0	112.3	I86 V109 C110 S111 Q115 K116 F117 F122	I86-V113 HydrophobicContact CD1-CG2 3.72Å; I86-V113 HydrophobicContact CG2-CG2 4.19Å; V109-V113 WeakPolarHBondContact O-CG2 3.46Å; V109-V113 PolarHBondContact O-N 3.29Å; C110-V113 PolarHBondContact O-N 3.47Å; S111-V113 VanDerWaalsContact C-N 3.32Å; S111-V113 PolarHBondContact O-N 3.12Å; V113-Q115 PolarHBondContact O-N 2.84Å; V113-K116 PolarHBondContact O-N 2.79Å; V113-F117 HydrophobicContact CB-CD2 4.48Å; V113-F117 HydrophobicContact CG1-CB 4.36Å; V113-F117 HydrophobicContact CG1-CD2 4.17Å; V113-F117 HydrophobicContact CG2-CD2 4.38Å; V113-F117 CarbonylContact O-C 3.43Å; V113-F117 WeakPolarHBondContact O-CA 3.4Å; V113-F117 PolarHBondContact O-N 3.21Å; V113-F122 HydrophobicContact CB-CD2 4.12Å; V113-F122 HydrophobicContact CB-CE2 4.08Å; V113-F122 HydrophobicContact CG1-CD2 3.78Å; V113-F122 HydrophobicContact CG1-CE2 3.63Å; V113-F122 HydrophobicContact CG1-CG 4.35Å; V113-F122 HydrophobicContact CG1-CZ 4.05Å; V113-F122 HydrophobicContact CG2-CD2 4.42Å; V113-F122 HydrophobicContact CG2-CE2 3.97Å
114	D	66	Low	67.2	Low	72 Å²	72	57.1 Å²	57.1	39%	0.385	32%	0.315	S	S	.	.	H	α-helix	trans	-61	-27.5	176	-90	16.4	0	0	0	111.7	C110 S111 G121 F122	C110-D114 PolarHBondContact O-N 3.22Å; S111-D114 PolarHBondContact O-N 3.39Å; D114-G121 WeakPolarHBondContact OD1-CA 3.5Å; D114-F122 PolarHBondContact OD1-N 3.25Å; D114-F122 VanDerWaalsContact OD1-N 3.1Å
115	Q	65.1	Low	66.4	Low	154 Å²	154	56.2 Å²	56.2	72%	0.72	31%	0.307	S	S	*	.	H	α-helix	trans	-81.1	-41.6	174.2	-169.8	-178.4	18.5	0	0	114	S111 I112 V113	S111-Q115 WeakPolarHBondContact O-CB 3.37Å; S111-Q115 PolarHBondContact O-N 2.96Å; I112-Q115 PolarHBondContact O-N 3.24Å; V113-Q115 PolarHBondContact O-N 2.84Å
116	K	62.3	Low	65.5	Low	91 Å²	91	59.5 Å²	59.5	40%	0.396	32%	0.32	S	S	.	.	H	α-helix	trans	-89.1	-28.4	-173.2	-67.5	-91.5	177.9	158.5	0	113.7	E91 I112 V113	E91-K116 VanDerWaalsContact CD-CE 3.45Å; E91-K116 WeakPolarHBondContact OE1-CE 3.2Å; E91-K116 IonicContact OE1-NZ 2.79Å; E91-K116 PolarHBondContact OE1-NZ 3.2Å; E91-K116 VanDerWaalsContact OE2-CE 3.3Å; E91-K116 WeakPolarHBondContact OE2-CE 3.49Å; E91-K116 IonicContact OE2-NZ 2.73Å; E91-K116 PolarHBondContact OE2-NZ 3.04Å; I112-K116 HydrophobicContact CG2-CG 4.16Å; I112-K116 VanDerWaalsContact O-CB 3.26Å; I112-K116 WeakPolarHBondContact O-CB 3.37Å; I112-K116 WeakPolarHBondContact O-CG 3.45Å; I112-K116 PolarHBondContact O-N 3.43Å; V113-K116 PolarHBondContact O-N 2.79Å
117	F	62.1	Low	64.7	Low	59 Å²	59	64.1 Å²	64.1	26%	0.259	35%	0.346	S	S	.	.			trans	-135.4	59.8	-173.8	-49.8	-73.7	0	0	0	110.9	I86 V113 E119 C120	I86-F117 HydrophobicContact CG2-CE2 4.29Å; V113-F117 HydrophobicContact CB-CD2 4.48Å; V113-F117 HydrophobicContact CG1-CB 4.36Å; V113-F117 HydrophobicContact CG1-CD2 4.17Å; V113-F117 HydrophobicContact CG2-CD2 4.38Å; V113-F117 CarbonylContact O-C 3.43Å; V113-F117 WeakPolarHBondContact O-CA 3.4Å; V113-F117 PolarHBondContact O-N 3.21Å; F117-E119 PolarHBondContact O-N 2.88Å; F117-C120 HydrophobicContact CB-CB 4.21Å; F117-C120 WeakPolarHBondContact O-CB 3.31Å; F117-C120 PolarHBondContact O-N 3.48Å
118	P	53.8	Low	64.4	Low	72 Å²	72	62.2 Å²	62.2	47%	0.468	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-63.9	-17.1	-170.4	26.7	-35.8	0	0	0	114.5	C120	P118-C120 VanDerWaalsContact C-N 3.29Å
119	E	45.6	Very low	64.4	Low	128 Å²	128	59.5 Å²	59.5	60%	0.598	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-71.4	-14.3	168.7	54.6	-77.1	166.8	0	0	115	F117	F117-E119 PolarHBondContact O-N 2.88Å
120	C	53.7	Low	64.7	Low	61 Å²	61	61.8 Å²	61.8	41%	0.412	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-112.2	7.5	-173.3	-69.3	0	0	0	0	114.6	F117 P118 F122	F117-C120 HydrophobicContact CB-CB 4.21Å; F117-C120 WeakPolarHBondContact O-CB 3.31Å; F117-C120 PolarHBondContact O-N 3.48Å; P118-C120 VanDerWaalsContact C-N 3.29Å; C120-F122 WeakPolarHBondContact O-CD1 3.23Å
121	G	52.8	Low	65.3	Low	19 Å²	19	60.9 Å²	60.9	20%	0.196	33%	0.325	C	S	.	.			trans	-49.9	132.1	-159.2	0	0	0	0	0	117.1	D114	D114-G121 WeakPolarHBondContact OD1-CA 3.5Å
122	F	57.7	Low	66	Low	30 Å²	30	59.3 Å²	59.3	13%	0.132	31%	0.31	C	S	.	.			trans	-91	114.5	-166.9	-69.7	-27	0	0	0	112.5	V113 D114 C120 M125 L161 F170	V113-F122 HydrophobicContact CB-CD2 4.12Å; V113-F122 HydrophobicContact CB-CE2 4.08Å; V113-F122 HydrophobicContact CG1-CD2 3.78Å; V113-F122 HydrophobicContact CG1-CE2 3.63Å; V113-F122 HydrophobicContact CG1-CG 4.35Å; V113-F122 HydrophobicContact CG1-CZ 4.05Å; V113-F122 HydrophobicContact CG2-CD2 4.42Å; V113-F122 HydrophobicContact CG2-CE2 3.97Å; D114-F122 PolarHBondContact OD1-N 3.25Å; D114-F122 VanDerWaalsContact OD1-N 3.1Å; C120-F122 WeakPolarHBondContact O-CD1 3.23Å; F122-M125 HydrophobicContact CB-CB 4.35Å; F122-M125 HydrophobicContact CD1-CG 4.48Å; F122-M125 HydrophobicContact CD1-SD 3.47Å; F122-M125 WeakPolarHBondContact CD1-SD 3.43Å; F122-M125 HydrophobicContact CE1-SD 3.85Å; F122-M125 HydrophobicContact CG-SD 4.14Å; F122-L161 HydrophobicContact CE1-CD1 4.43Å; F122-L161 HydrophobicContact CE2-CD2 4.47Å; F122-L161 HydrophobicContact CZ-CD1 4.07Å; F122-L161 HydrophobicContact CZ-CD2 4.31Å; F122-F170 HydrophobicContact CE1-CD1 4.28Å; F122-F170 AromaticContact CE1-CE1 3.85Å; F122-F170 HydrophobicContact CE1-CE1 3.85Å
123	F	49.3	Very low	66.7	Low	137 Å²	137	61 Å²	61	60%	0.601	31%	0.314	S	S	*	.	S	Bend	trans	-120.8	116.9	173.4	-163.2	-93.7	0	0	0	111.1
124	G	53.2	Low	67.4	Low	54 Å²	54	62.9 Å²	62.9	56%	0.557	32%	0.323	S	S	*	.	S	Bend	trans	80.1	7.7	-178.5	0	0	0	0	0	115.5	Y126	G124-Y126 VanDerWaalsContact C-N 3.3Å; G124-Y126 PolarHBondContact O-N 3.01Å
125	M	62.4	Low	68.3	Low	2 Å²	2	61.6 Å²	61.6	1%	0.01	32%	0.316	C	S	.	.			trans	-85.7	3.1	179	-61.1	-164.8	71.9	0	0	114.4	F122 D127 K128 I129 L161 A165 D169 F170	F122-M125 HydrophobicContact CB-CB 4.35Å; F122-M125 HydrophobicContact CD1-CG 4.48Å; F122-M125 HydrophobicContact CD1-SD 3.47Å; F122-M125 WeakPolarHBondContact CD1-SD 3.43Å; F122-M125 HydrophobicContact CE1-SD 3.85Å; F122-M125 HydrophobicContact CG-SD 4.14Å; M125-D127 PolarHBondContact O-N 3.22Å; M125-K128 CarbonylContact O-C 3.45Å; M125-K128 WeakPolarHBondContact O-CA 3.5Å; M125-K128 WeakPolarHBondContact O-CB 3.19Å; M125-K128 PolarHBondContact O-N 2.9Å; M125-I129 PolarHBondContact O-N 2.95Å; M125-L161 HydrophobicContact CE-CD1 4.15Å; M125-L161 HydrophobicContact CE-CD2 4.17Å; M125-A165 HydrophobicContact CE-CB 3.56Å; M125-D169 HydrophobicContact CE-CB 4.21Å; M125-D169 HydrophobicContact CG-CB 4.14Å; M125-D169 HydrophobicContact SD-CB 4.17Å; M125-F170 HydrophobicContact CE-CE2 4.13Å; M125-F170 HydrophobicContact CE-CZ 4.11Å
126	Y	64.1	Low	69	Low	71 Å²	71	61 Å²	61	28%	0.278	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-50.9	-49.5	-176.8	-166.4	-113.1	0	0	0	113.7	S103 K106 D107 G124 K128 I129	S103-Y126 WeakPolarHBondContact CA-OH 3.49Å; S103-Y126 WeakPolarHBondContact CB-OH 3.37Å; S103-Y126 PolarHBondContact O-OH 3.47Å; K106-Y126 HydrophobicContact CB-CD2 3.84Å; K106-Y126 HydrophobicContact CB-CE2 3.58Å; K106-Y126 PolarHBondContact NZ-O 2.96Å; D107-Y126 HydrophobicContact CB-CE2 4.43Å; D107-Y126 VanDerWaalsContact CG-CE2 3.42Å; D107-Y126 VanDerWaalsContact OD1-CE2 3.32Å; D107-Y126 WeakPolarHBondContact OD1-CE2 3.39Å; D107-Y126 VanDerWaalsContact OD2-CE2 3.29Å; D107-Y126 WeakPolarHBondContact OD2-CE2 3.47Å; D107-Y126 PolarHBondContact OD2-OH 3.22Å; G124-Y126 VanDerWaalsContact C-N 3.3Å; G124-Y126 PolarHBondContact O-N 3.01Å; Y126-K128 PolarHBondContact O-N 3.23Å; Y126-I129 PolarHBondContact O-N 3.37Å
127	D	66.5	Low	69.8	Low	133 Å²	133	64 Å²	64	71%	0.711	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-73	-14.7	179.7	-52.5	-50.6	0	0	0	112.6	M125	M125-D127 PolarHBondContact O-N 3.22Å
128	K	73.1	Confident	70.6	Confident	46 Å²	46	64.7 Å²	64.7	20%	0.2	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-98.7	-11.2	-178	-55.4	-173.1	176.9	-168.9	0	113.2	M125 Y126 S162 Q164 A165 D169	M125-K128 CarbonylContact O-C 3.45Å; M125-K128 WeakPolarHBondContact O-CA 3.5Å; M125-K128 WeakPolarHBondContact O-CB 3.19Å; M125-K128 PolarHBondContact O-N 2.9Å; Y126-K128 PolarHBondContact O-N 3.23Å; K128-S162 VanDerWaalsContact O-CB 3.26Å; K128-S162 WeakPolarHBondContact O-CB 3.44Å; K128-S162 PolarHBondContact O-N 3.41Å; K128-Q164 WeakPolarHBondContact CE-O 3.1Å; K128-Q164 PolarHBondContact NZ-O 3.36Å; K128-A165 HydrophobicContact CD-CB 4.46Å; K128-D169 IonicContact NZ-OD1 3.86Å; K128-D169 PolarHBondContact NZ-OD1 2.9Å; K128-D169 IonicContact NZ-OD2 3.66Å; K128-D169 PolarHBondContact NZ-OD2 3.33Å
129	I	82.8	Confident	71.5	Confident	0 Å²	0	70.9 Å²	70.9	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	128.1	168.2	-67.6	164.7	0	0	0	109	K106 V109 C110 M125 Y126 L131 V159 L161	K106-I129 WeakPolarHBondContact CE-O 3.34Å; K106-I129 HydrophobicContact CG-CB 4.42Å; K106-I129 HydrophobicContact CG-CG2 4.09Å; K106-I129 PolarHBondContact NZ-O 2.95Å; V109-I129 HydrophobicContact CG1-CD1 4.07Å; V109-I129 HydrophobicContact CG1-CG2 4.42Å; C110-I129 VanDerWaalsContact SG-CD1 3.6Å; M125-I129 PolarHBondContact O-N 2.95Å; Y126-I129 PolarHBondContact O-N 3.37Å; I129-L131 HydrophobicContact CG2-CD2 3.9Å; I129-L131 HydrophobicContact CG2-CG 4.39Å; I129-V159 HydrophobicContact CG2-CG1 4.18Å; I129-L161 HydrophobicContact CG1-CD2 4.07Å
130	L	87.1	Confident	73.2	Confident	49 Å²	49	68.8 Å²	68.8	26%	0.257	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146.2	168.7	-56.3	176.7	0	0	0	108.4	F132 V160	L130-F132 HydrophobicContact CB-CD2 4.35Å; L130-F132 HydrophobicContact CB-CE2 3.72Å; L130-F132 HydrophobicContact CD1-CE2 4.27Å; L130-V160 WeakPolarHBondContact CA-O 3.32Å; L130-V160 WeakPolarHBondContact CB-O 3.45Å; L130-V160 PolarHBondContact N-O 2.89Å; L130-V160 PolarHBondContact O-N 2.9Å; L130-V160 VanDerWaalsContact O-O 3.12Å
131	L	88.9	Confident	74.6	Confident	5 Å²	5	69.8 Å²	69.8	3%	0.026	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.4	178.4	-55.4	176.9	0	0	0	108.9	L102 V105 V109 I129 L145 I157 E158 V159	L102-L131 HydrophobicContact CD2-CD1 3.84Å; V105-L131 HydrophobicContact CB-CD1 4.16Å; V105-L131 HydrophobicContact CG1-CD1 3.57Å; V109-L131 HydrophobicContact CG2-CD2 4.14Å; I129-L131 HydrophobicContact CG2-CD2 3.9Å; I129-L131 HydrophobicContact CG2-CG 4.39Å; L131-L145 HydrophobicContact CB-CB 4.37Å; L131-L145 HydrophobicContact CB-CD1 3.84Å; L131-L145 PolarHBondContact O-N 3.06Å; L131-I157 HydrophobicContact CB-CG2 4.01Å; L131-E158 WeakPolarHBondContact CA-O 3.44Å; L131-V159 HydrophobicContact CD2-CB 4.44Å; L131-V159 HydrophobicContact CD2-CG2 3.88Å
132	F	90.6	Very high	76.2	Confident	40 Å²	40	72 Å²	72	18%	0.175	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	124.1	-178.9	-70.7	-97.4	0	0	0	110.2	L130 L142 Q143 R144 I157 E158 V160	L130-F132 HydrophobicContact CB-CD2 4.35Å; L130-F132 HydrophobicContact CB-CE2 3.72Å; L130-F132 HydrophobicContact CD1-CE2 4.27Å; F132-L142 HydrophobicContact CB-CB 4.41Å; F132-L142 HydrophobicContact CB-CD2 4.39Å; F132-L142 HydrophobicContact CD1-CB 4Å; F132-Q143 CarbonylContact C-O 3.55Å; F132-Q143 VanDerWaalsContact CA-O 3.3Å; F132-Q143 WeakPolarHBondContact CA-O 2.98Å; F132-R144 HydrophobicContact CD1-CB 3.82Å; F132-R144 HydrophobicContact CD1-CG 4.15Å; F132-R144 HydrophobicContact CE1-CB 3.56Å; F132-R144 HydrophobicContact CE1-CG 3.78Å; F132-R144 HydrophobicContact CE2-CG 4.27Å; F132-R144 HydrophobicContact CZ-CB 4.16Å; F132-R144 HydrophobicContact CZ-CG 3.85Å; F132-I157 CarbonylContact O-C 3.35Å; F132-I157 WeakPolarHBondContact O-CA 3.42Å; F132-E158 PolarHBondContact N-O 3.32Å; F132-E158 PolarHBondContact O-N 2.93Å; F132-V160 HydrophobicContact CD2-CB 3.91Å; F132-V160 HydrophobicContact CD2-CG2 3.61Å; F132-V160 HydrophobicContact CE2-CB 3.85Å; F132-V160 HydrophobicContact CE2-CG1 4.29Å; F132-V160 HydrophobicContact CE2-CG2 3.97Å
133	R	91.4	Very high	77.5	Confident	54 Å²	54	73.7 Å²	73.7	20%	0.204	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	135.2	168.8	-176.9	-176.9	-177.6	-177	9.7	109.2	Q143 L145 D150 H152 D155 I157	R133-Q143 PolarHBondContact N-O 3.41Å; R133-Q143 PolarHBondContact O-N 2.86Å; R133-L145 HydrophobicContact CB-CD2 4.05Å; R133-L145 HydrophobicContact CB-CG 4.38Å; R133-D150 PolarHBondContact NH1-O 3.39Å; R133-H152 PolarHBondContact NH1-ND1 2.82Å; R133-H152 PolarHBondContact NH2-ND1 2.84Å; R133-D155 IonicContact CZ-OD1 3.99Å; R133-D155 VanDerWaalsContact CZ-OD1 3.24Å; R133-D155 IonicContact CZ-OD2 3.79Å; R133-D155 IonicContact NE-OD1 3.74Å; R133-D155 PolarHBondContact NE-OD1 3.12Å; R133-D155 IonicContact NE-OD2 3.98Å; R133-D155 PolarHBondContact NE-OD2 3.49Å; R133-D155 IonicContact NH2-OD1 3.71Å; R133-D155 PolarHBondContact NH2-OD1 3.37Å; R133-D155 IonicContact NH2-OD2 2.88Å; R133-D155 PolarHBondContact NH2-OD2 3.49Å; R133-I157 HydrophobicContact CB-CD1 3.79Å; R133-I157 HydrophobicContact CG-CD1 3.93Å
134	H	87.9	Confident	79.3	Confident	44 Å²	44	74 Å²	74	20%	0.204	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	107.5	167.8	-74.6	-137.1	0	0	0	109.1	I141 L142 L156 E158	H134-I141 CarbonylContact C-O 3.58Å; H134-I141 VanDerWaalsContact CA-O 3.32Å; H134-I141 WeakPolarHBondContact CA-O 3.25Å; H134-L142 VanDerWaalsContact CD2-CD2 3.45Å; H134-L142 WeakPolarHBondContact CD2-CD2 3.46Å; H134-L142 VanDerWaalsContact NE2-CD2 3.28Å; H134-L142 WeakPolarHBondContact NE2-CD2 3.22Å; H134-L156 HydrophobicContact CB-CB 4.2Å; H134-L156 HydrophobicContact CB-CD2 4.5Å; H134-L156 PolarHBondContact N-O 3.39Å; H134-E158 IonicContact CD2-OE2 2.73Å; H134-E158 IonicContact CE1-OE2 2.85Å; H134-E158 PolarHBondContact CE1-OE2 3.44Å; H134-E158 IonicContact NE2-OE2 4Å; H134-E158 PolarHBondContact NE2-OE2 2.95Å
135	D	84.4	Confident	80.9	Confident	44 Å²	44	72 Å²	72	24%	0.235	35%	0.349	C	S	.	.			trans	-108.2	113.9	167.7	-166.9	-20.1	0	0	0	109.6	N137 I141 Q143	D135-N137 PolarHBondContact O-N 2.87Å; D135-N137 WeakPolarHBondContact OD1-CB 3.11Å; D135-N137 PolarHBondContact OD1-N 2.9Å; D135-N137 PolarHBondContact OD1-ND2 2.93Å; D135-I141 PolarHBondContact N-O 3.23Å; D135-I141 WeakPolarHBondContact O-CA 3.33Å; D135-Q143 HydrophobicContact CB-CG 4.42Å
136	L	78.4	Confident	81.8	Confident	142 Å²	142	76.4 Å²	76.4	74%	0.743	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	2.7	-177.7	-61	174.8	0	0	0	113.4	I141	L136-I141 HydrophobicContact CD2-CG2 3.99Å
137	N	79.7	Confident	82.5	Confident	154 Å²	154	74.7 Å²	74.7	82%	0.824	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-9	-178.6	-47.7	-86.4	0	0	0	113.3	D135	D135-N137 PolarHBondContact O-N 2.87Å; D135-N137 WeakPolarHBondContact OD1-CB 3.11Å; D135-N137 PolarHBondContact OD1-N 2.9Å; D135-N137 PolarHBondContact OD1-ND2 2.93Å
138	D	79.4	Confident	83.2	Confident	73 Å²	73	68.7 Å²	68.7	39%	0.39	34%	0.343	S	S	.	.	S	Bend	trans	-97.6	150.5	175.3	-165	-56.2	0	0	0	110.1	N140 Q143	D138-N140 PolarHBondContact O-N 2.87Å; D138-N140 PolarHBondContact OD1-N 3.02Å; D138-Q143 PolarHBondContact OD1-NE2 3.46Å; D138-Q143 PolarHBondContact OD2-NE2 2.66Å
139	E	73.5	Confident	83.5	Confident	202 Å²	202	73.1 Å²	73.1	94%	0.944	36%	0.364	S	S	*	.	S	Bend	trans	-65	-30.5	173.2	-66.2	-166.5	157.3	0	0	111.7
140	N	79.4	Confident	83.4	Confident	85 Å²	85	75.9 Å²	75.9	46%	0.455	38%	0.379	S	S	.	.	S	Bend	trans	-96.1	93.1	167.8	174.7	57.6	0	0	0	110.2	D138 L142 Q143	D138-N140 PolarHBondContact O-N 2.87Å; D138-N140 PolarHBondContact OD1-N 3.02Å; N140-L142 PolarHBondContact ND2-O 2.94Å; N140-L142 PolarHBondContact O-N 3.14Å; N140-L142 VanDerWaalsContact O-N 3.12Å; N140-Q143 PolarHBondContact ND2-NE2 3.08Å; N140-Q143 VanDerWaalsContact ND2-NE2 3.15Å; N140-Q143 PolarHBondContact O-NE2 2.93Å
141	I	83.8	Confident	83.3	Confident	81 Å²	81	74 Å²	74	42%	0.415	37%	0.369	S	S	.	.	S	Bend	trans	-59.5	-27.2	-176.9	-63.4	167.3	0	0	0	113.2	H134 D135 L136	H134-I141 CarbonylContact C-O 3.58Å; H134-I141 VanDerWaalsContact CA-O 3.32Å; H134-I141 WeakPolarHBondContact CA-O 3.25Å; D135-I141 PolarHBondContact N-O 3.23Å; D135-I141 WeakPolarHBondContact O-CA 3.33Å; L136-I141 HydrophobicContact CD2-CG2 3.99Å
142	L	85.9	Confident	83.1	Confident	67 Å²	67	78.4 Å²	78.4	35%	0.351	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	90.7	-178.8	-65	-179.6	0	0	0	111.5	F132 H134 N140	F132-L142 HydrophobicContact CB-CB 4.41Å; F132-L142 HydrophobicContact CB-CD2 4.39Å; F132-L142 HydrophobicContact CD1-CB 4Å; H134-L142 VanDerWaalsContact CD2-CD2 3.45Å; H134-L142 WeakPolarHBondContact CD2-CD2 3.46Å; H134-L142 VanDerWaalsContact NE2-CD2 3.28Å; H134-L142 WeakPolarHBondContact NE2-CD2 3.22Å; N140-L142 PolarHBondContact ND2-O 2.94Å; N140-L142 PolarHBondContact O-N 3.14Å; N140-L142 VanDerWaalsContact O-N 3.12Å
143	Q	86.2	Confident	82.8	Confident	64 Å²	64	84.1 Å²	84.1	30%	0.299	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	119.3	177.6	-65.8	-63.3	-25.6	0	0	110.4	F132 R133 D135 D138 N140 L145	F132-Q143 CarbonylContact C-O 3.55Å; F132-Q143 VanDerWaalsContact CA-O 3.3Å; F132-Q143 WeakPolarHBondContact CA-O 2.98Å; R133-Q143 PolarHBondContact N-O 3.41Å; R133-Q143 PolarHBondContact O-N 2.86Å; D135-Q143 HydrophobicContact CB-CG 4.42Å; D138-Q143 PolarHBondContact OD1-NE2 3.46Å; D138-Q143 PolarHBondContact OD2-NE2 2.66Å; N140-Q143 PolarHBondContact ND2-NE2 3.08Å; N140-Q143 VanDerWaalsContact ND2-NE2 3.15Å; N140-Q143 PolarHBondContact O-NE2 2.93Å; Q143-L145 PolarHBondContact O-N 3.24Å
144	R	87.3	Confident	82.3	Confident	143 Å²	143	84.3 Å²	84.3	54%	0.54	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	118	-177.4	-162.5	-169.3	79.6	177	3.3	110.1	F132 T146	F132-R144 HydrophobicContact CD1-CB 3.82Å; F132-R144 HydrophobicContact CD1-CG 4.15Å; F132-R144 HydrophobicContact CE1-CB 3.56Å; F132-R144 HydrophobicContact CE1-CG 3.78Å; F132-R144 HydrophobicContact CE2-CG 4.27Å; F132-R144 HydrophobicContact CZ-CB 4.16Å; F132-R144 HydrophobicContact CZ-CG 3.85Å; R144-T146 PolarHBondContact O-N 2.94Å
145	L	86.4	Confident	82.4	Confident	12 Å²	12	83 Å²	83	6%	0.063	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-59.6	133.2	176.3	-68.2	174.3	0	0	0	110.6	L102 L131 R133 Q143 D150 I151 I157	L102-L145 HydrophobicContact CD2-CB 4.44Å; L131-L145 HydrophobicContact CB-CB 4.37Å; L131-L145 HydrophobicContact CB-CD1 3.84Å; L131-L145 PolarHBondContact O-N 3.06Å; R133-L145 HydrophobicContact CB-CD2 4.05Å; R133-L145 HydrophobicContact CB-CG 4.38Å; Q143-L145 PolarHBondContact O-N 3.24Å; L145-D150 HydrophobicContact CD2-CB 3.5Å; L145-D150 VanDerWaalsContact CD2-CB 3.5Å; L145-I151 HydrophobicContact CD1-CD1 3.8Å; L145-I151 HydrophobicContact CD1-CG1 3.75Å; L145-I151 HydrophobicContact CD2-CG1 3.83Å; L145-I151 HydrophobicContact CG-CG1 4.47Å; L145-I157 HydrophobicContact CD1-CD1 3.97Å; L145-I157 HydrophobicContact CD1-CG1 4.38Å; L145-I157 HydrophobicContact CD1-CG2 3.74Å
146	T	80.8	Confident	82.5	Confident	95 Å²	95	82.3 Å²	82.3	58%	0.583	43%	0.426	S	S	*	.			trans	-123	-18.7	176.6	39.5	0	0	0	0	113.4	L102 R144 D150	L102-T146 VanDerWaalsContact CD1-C 3.46Å; L102-T146 WeakPolarHBondContact CD1-O 3.45Å; R144-T146 PolarHBondContact O-N 2.94Å; T146-D150 PolarHBondContact N-OD2 3.23Å; T146-D150 VanDerWaalsContact N-OD2 3.11Å
147	S	79.3	Confident	83.1	Confident	36 Å²	36	75.6 Å²	75.6	25%	0.252	39%	0.391	S	S	.	.	S	Bend	trans	-132.3	-177.7	161.1	-154.1	0	0	0	0	111.5	E149 D150	S147-E149 VanDerWaalsContact CB-OE2 3.26Å; S147-E149 WeakPolarHBondContact CB-OE2 3.38Å; S147-E149 PolarHBondContact OG-OE1 3.18Å; S147-E149 PolarHBondContact OG-OE2 3.05Å; S147-D150 PolarHBondContact N-OD2 2.89Å
148	V	80.8	Confident	83.7	Confident	6 Å²	6	70.1 Å²	70.1	4%	0.036	36%	0.36	C	S	.	.	S	Bend	trans	-90.9	-24.3	170.7	171.8	0	0	0	0	111.8	L95 L100 L102 V105 D150 I151	L95-V148 HydrophobicContact CD2-CG1 3.78Å; L100-V148 HydrophobicContact CD2-CG1 3.73Å; L102-V148 HydrophobicContact CB-CG2 4.34Å; L102-V148 HydrophobicContact CG-CG2 3.99Å; L102-V148 VanDerWaalsContact N-CG2 3.27Å; V105-V148 HydrophobicContact CG2-CG2 4.13Å; V148-D150 PolarHBondContact O-N 3.31Å; V148-I151 HydrophobicContact CG1-CD1 4.37Å; V148-I151 WeakPolarHBondContact O-CB 3.44Å; V148-I151 PolarHBondContact O-N 3.43Å
149	E	79	Confident	84.1	Confident	139 Å²	139	67.5 Å²	67.5	65%	0.65	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	-19.7	169.6	-55.3	81.7	-103.3	0	0	113.2	S147 I151	S147-E149 VanDerWaalsContact CB-OE2 3.26Å; S147-E149 WeakPolarHBondContact CB-OE2 3.38Å; S147-E149 PolarHBondContact OG-OE1 3.18Å; S147-E149 PolarHBondContact OG-OE2 3.05Å; E149-I151 VanDerWaalsContact C-N 3.27Å; E149-I151 PolarHBondContact O-N 3.39Å
150	D	81.3	Confident	84.5	Confident	58 Å²	58	60.3 Å²	60.3	31%	0.31	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-16.9	174.6	-60.4	-30.9	0	0	0	112.9	R133 L145 T146 S147 V148 H152	R133-D150 PolarHBondContact NH1-O 3.39Å; L145-D150 HydrophobicContact CD2-CB 3.5Å; L145-D150 VanDerWaalsContact CD2-CB 3.5Å; T146-D150 PolarHBondContact N-OD2 3.23Å; T146-D150 VanDerWaalsContact N-OD2 3.11Å; S147-D150 PolarHBondContact N-OD2 2.89Å; V148-D150 PolarHBondContact O-N 3.31Å; D150-H152 PolarHBondContact O-CE1 3.06Å; D150-H152 PolarHBondContact O-ND1 2.8Å
151	I	84.5	Confident	84.4	Confident	11 Å²	11	59.3 Å²	59.3	6%	0.056	31%	0.311	C	S	.	.			trans	-93.5	124.7	-175.7	-51.1	178.8	0	0	0	110.8	V80 F82 V105 L145 V148 E149 I157	V80-I151 HydrophobicContact CG1-CG2 4.34Å; F82-I151 HydrophobicContact CB-CG2 4.29Å; F82-I151 HydrophobicContact CD1-CG2 3.72Å; F82-I151 HydrophobicContact CE1-CG2 4.1Å; F82-I151 HydrophobicContact CG-CG2 3.96Å; V105-I151 HydrophobicContact CG2-CD1 4.43Å; L145-I151 HydrophobicContact CD1-CD1 3.8Å; L145-I151 HydrophobicContact CD1-CG1 3.75Å; L145-I151 HydrophobicContact CD2-CG1 3.83Å; L145-I151 HydrophobicContact CG-CG1 4.47Å; V148-I151 HydrophobicContact CG1-CD1 4.37Å; V148-I151 WeakPolarHBondContact O-CB 3.44Å; V148-I151 PolarHBondContact O-N 3.43Å; E149-I151 VanDerWaalsContact C-N 3.27Å; E149-I151 PolarHBondContact O-N 3.39Å; I151-I157 HydrophobicContact CG2-CD1 4.45Å; I151-I157 HydrophobicContact CG2-CG1 4.38Å
152	H	84.2	Confident	84.1	Confident	96 Å²	96	56.6 Å²	56.6	44%	0.444	30%	0.299	S	S	.	.			trans	-115.3	162.4	-176.8	-61	65.2	0	0	0	111.5	R133 D150 G154 D155	R133-H152 PolarHBondContact NH1-ND1 2.82Å; R133-H152 PolarHBondContact NH2-ND1 2.84Å; D150-H152 PolarHBondContact O-CE1 3.06Å; D150-H152 PolarHBondContact O-ND1 2.8Å; H152-G154 PolarHBondContact O-N 3.41Å; H152-D155 WeakPolarHBondContact CA-OD2 3.25Å; H152-D155 WeakPolarHBondContact CB-OD2 3.46Å; H152-D155 PolarHBondContact N-OD2 2.64Å; H152-D155 IonicContact ND1-OD2 2.7Å; H152-D155 WeakPolarHBondContact O-CB 3.44Å; H152-D155 PolarHBondContact O-N 3.01Å
153	E	84.3	Confident	83	Confident	160 Å²	160	58.6 Å²	58.6	75%	0.748	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	125.9	-179.9	-169.6	173.5	-163.3	0	0	111.3	S81	S81-E153 CarbonylContact O-C 3.58Å; S81-E153 WeakPolarHBondContact O-CA 3.42Å
154	G	81.7	Confident	81.7	Confident	58 Å²	58	62.3 Å²	62.3	60%	0.598	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	-0.9	-178	0	0	0	0	0	116	S81 H152	S81-G154 PolarHBondContact O-N 3.11Å; H152-G154 PolarHBondContact O-N 3.41Å
155	D	89.4	Confident	80.3	Confident	18 Å²	18	56.7 Å²	56.7	10%	0.096	33%	0.327	C	S	.	.			trans	-58.4	151.3	177.3	-84.8	-24.8	0	0	0	113.1	F82 L83 R133 H152 I157	F82-D155 HydrophobicContact CB-CB 4.39Å; L83-D155 PolarHBondContact N-O 3.33Å; R133-D155 IonicContact CZ-OD1 3.99Å; R133-D155 VanDerWaalsContact CZ-OD1 3.24Å; R133-D155 IonicContact CZ-OD2 3.79Å; R133-D155 IonicContact NE-OD1 3.74Å; R133-D155 PolarHBondContact NE-OD1 3.12Å; R133-D155 IonicContact NE-OD2 3.98Å; R133-D155 PolarHBondContact NE-OD2 3.49Å; R133-D155 IonicContact NH2-OD1 3.71Å; R133-D155 PolarHBondContact NH2-OD1 3.37Å; R133-D155 IonicContact NH2-OD2 2.88Å; R133-D155 PolarHBondContact NH2-OD2 3.49Å; H152-D155 WeakPolarHBondContact CA-OD2 3.25Å; H152-D155 WeakPolarHBondContact CB-OD2 3.46Å; H152-D155 PolarHBondContact N-OD2 2.64Å; H152-D155 IonicContact ND1-OD2 2.7Å; H152-D155 WeakPolarHBondContact O-CB 3.44Å; H152-D155 PolarHBondContact O-N 3.01Å; D155-I157 HydrophobicContact CB-CD1 3.9Å; D155-I157 HydrophobicContact CB-CG1 4.41Å
156	L	87.8	Confident	79	Confident	29 Å²	29	59.5 Å²	59.5	15%	0.152	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	112.3	166.6	-178.3	65	0	0	0	109.4	L83 Q85 H134	L83-L156 HydrophobicContact CB-CD1 3.76Å; L83-L156 WeakPolarHBondContact O-CA 3.08Å; Q85-L156 HydrophobicContact CB-CD1 4.04Å; H134-L156 HydrophobicContact CB-CB 4.2Å; H134-L156 HydrophobicContact CB-CD2 4.5Å; H134-L156 PolarHBondContact N-O 3.39Å
157	I	90.8	Very high	77.6	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.4	-179.8	-53.4	-49.5	0	0	0	109.4	F82 L83 L84 Q85 L131 F132 R133 L145 I151 D155	F82-I157 HydrophobicContact CD2-CB 4.12Å; F82-I157 HydrophobicContact CD2-CG1 3.63Å; F82-I157 HydrophobicContact CE2-CB 4.24Å; F82-I157 HydrophobicContact CE2-CG1 3.99Å; F82-I157 HydrophobicContact CG-CG1 4.35Å; L83-I157 PolarHBondContact O-N 2.69Å; L84-I157 CarbonylContact C-O 3.06Å; L84-I157 WeakPolarHBondContact CA-O 3.41Å; L84-I157 HydrophobicContact CD1-CB 4.46Å; L84-I157 HydrophobicContact CD1-CG2 4.37Å; Q85-I157 PolarHBondContact N-O 2.92Å; L131-I157 HydrophobicContact CB-CG2 4.01Å; F132-I157 CarbonylContact O-C 3.35Å; F132-I157 WeakPolarHBondContact O-CA 3.42Å; R133-I157 HydrophobicContact CB-CD1 3.79Å; R133-I157 HydrophobicContact CG-CD1 3.93Å; L145-I157 HydrophobicContact CD1-CD1 3.97Å; L145-I157 HydrophobicContact CD1-CG1 4.38Å; L145-I157 HydrophobicContact CD1-CG2 3.74Å; I151-I157 HydrophobicContact CG2-CD1 4.45Å; I151-I157 HydrophobicContact CG2-CG1 4.38Å; D155-I157 HydrophobicContact CB-CD1 3.9Å; D155-I157 HydrophobicContact CB-CG1 4.41Å
158	E	91.5	Very high	76.1	Confident	40 Å²	40	64.1 Å²	64.1	19%	0.187	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	130.5	179.1	-177.1	157	-141	0	0	112.2	Q85 L131 F132 H134 V160	Q85-E158 HydrophobicContact CB-CB 4.43Å; Q85-E158 HydrophobicContact CG-CG 4.5Å; Q85-E158 VanDerWaalsContact NE2-CD 3.28Å; Q85-E158 PolarHBondContact NE2-OE1 3.46Å; L131-E158 WeakPolarHBondContact CA-O 3.44Å; F132-E158 PolarHBondContact N-O 3.32Å; F132-E158 PolarHBondContact O-N 2.93Å; H134-E158 IonicContact CD2-OE2 2.73Å; H134-E158 IonicContact CE1-OE2 2.85Å; H134-E158 PolarHBondContact CE1-OE2 3.44Å; H134-E158 IonicContact NE2-OE2 4Å; H134-E158 PolarHBondContact NE2-OE2 2.95Å; E158-V160 HydrophobicContact CG-CG2 4.09Å
159	V	87.8	Confident	74.7	Confident	18 Å²	18	65.3 Å²	65.3	11%	0.109	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	112.9	177.8	-179	0	0	0	0	109.4	L84 Q85 I86 V109 I129 L131	L84-V159 HydrophobicContact CD1-CG2 3.57Å; L84-V159 HydrophobicContact CD2-CG2 4.33Å; L84-V159 HydrophobicContact CG-CG2 3.88Å; Q85-V159 PolarHBondContact O-N 2.99Å; I86-V159 HydrophobicContact CD1-CG2 4.41Å; I86-V159 HydrophobicContact CG1-CB 4.17Å; I86-V159 HydrophobicContact CG1-CG2 3.89Å; V109-V159 HydrophobicContact CG1-CB 4.48Å; V109-V159 HydrophobicContact CG1-CG1 3.63Å; V109-V159 HydrophobicContact CG1-CG2 3.99Å; V109-V159 HydrophobicContact CG2-CG2 3.85Å; I129-V159 HydrophobicContact CG2-CG1 4.18Å; L131-V159 HydrophobicContact CD2-CB 4.44Å; L131-V159 HydrophobicContact CD2-CG2 3.88Å
160	V	83.5	Confident	73.5	Confident	51 Å²	51	62.2 Å²	62.2	31%	0.309	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	129.3	179.9	-178.1	0	0	0	0	109.5	L130 F132 E158	L130-V160 WeakPolarHBondContact CA-O 3.32Å; L130-V160 WeakPolarHBondContact CB-O 3.45Å; L130-V160 PolarHBondContact N-O 2.89Å; L130-V160 PolarHBondContact O-N 2.9Å; L130-V160 VanDerWaalsContact O-O 3.12Å; F132-V160 HydrophobicContact CD2-CB 3.91Å; F132-V160 HydrophobicContact CD2-CG2 3.61Å; F132-V160 HydrophobicContact CE2-CB 3.85Å; F132-V160 HydrophobicContact CE2-CG1 4.29Å; F132-V160 HydrophobicContact CE2-CG2 3.97Å; E158-V160 HydrophobicContact CG-CG2 4.09Å
161	L	76.4	Confident	72.2	Confident	63 Å²	63	65.3 Å²	65.3	33%	0.33	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	127.4	170.3	-63.3	179.7	0	0	0	109.6	F122 M125 I129 A165 F170	F122-L161 HydrophobicContact CE1-CD1 4.43Å; F122-L161 HydrophobicContact CE2-CD2 4.47Å; F122-L161 HydrophobicContact CZ-CD1 4.07Å; F122-L161 HydrophobicContact CZ-CD2 4.31Å; M125-L161 HydrophobicContact CE-CD1 4.15Å; M125-L161 HydrophobicContact CE-CD2 4.17Å; I129-L161 HydrophobicContact CG1-CD2 4.07Å; L161-A165 HydrophobicContact CB-CB 4.33Å; L161-F170 HydrophobicContact CD1-CE1 4.47Å; L161-F170 HydrophobicContact CD1-CZ 3.97Å
162	S	77.1	Confident	70.7	Confident	24 Å²	24	68.3 Å²	68.3	17%	0.168	38%	0.38	C	S	.	.			trans	-54.8	145.4	172.6	174.5	0	0	0	0	111.2	K128 Q164 A165	K128-S162 VanDerWaalsContact O-CB 3.26Å; K128-S162 WeakPolarHBondContact O-CB 3.44Å; K128-S162 PolarHBondContact O-N 3.41Å; S162-Q164 PolarHBondContact O-N 3.07Å; S162-Q164 PolarHBondContact OG-N 2.66Å; S162-A165 WeakPolarHBondContact O-CB 3.26Å; S162-A165 PolarHBondContact O-N 3.17Å
163	A	63.6	Low	69.5	Low	109 Å²	109	69 Å²	69	90%	0.901	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-8.4	173.3	0	0	0	0	0	113.9	A165	A163-A165 VanDerWaalsContact C-N 3.27Å
164	Q	58.3	Low	68.4	Low	143 Å²	143	64.4 Å²	64.4	67%	0.668	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-2.7	169.3	-60.4	177.7	-3.5	0	0	113.4	K128 S162 T166	K128-Q164 WeakPolarHBondContact CE-O 3.1Å; K128-Q164 PolarHBondContact NZ-O 3.36Å; S162-Q164 PolarHBondContact O-N 3.07Å; S162-Q164 PolarHBondContact OG-N 2.66Å; Q164-T166 PolarHBondContact O-N 2.77Å
165	A	58.7	Low	68	Low	24 Å²	24	61.9 Å²	61.9	20%	0.198	34%	0.335	C	S	.	.			trans	-75.3	105.3	167.2	0	0	0	0	0	109.9	M125 K128 L161 S162 A163	M125-A165 HydrophobicContact CE-CB 3.56Å; K128-A165 HydrophobicContact CD-CB 4.46Å; L161-A165 HydrophobicContact CB-CB 4.33Å; S162-A165 WeakPolarHBondContact O-CB 3.26Å; S162-A165 PolarHBondContact O-N 3.17Å; A163-A165 VanDerWaalsContact C-N 3.27Å
166	T	58	Low	67.3	Low	71 Å²	71	63 Å²	63	44%	0.436	35%	0.347	S	S	.	.			trans	-87.5	161.8	176.5	70.9	0	0	0	0	110.5	Q164 E168 D169 F170	Q164-T166 PolarHBondContact O-N 2.77Å; T166-E168 PolarHBondContact O-N 2.79Å; T166-E168 PolarHBondContact OG1-N 3.14Å; T166-D169 WeakPolarHBondContact CA-OD2 3.41Å; T166-D169 WeakPolarHBondContact CB-OD2 3.49Å; T166-D169 PolarHBondContact N-OD2 2.88Å; T166-D169 PolarHBondContact O-N 3.38Å; T166-D169 VanDerWaalsContact O-N 3.15Å; T166-D169 PolarHBondContact OG1-N 2.68Å; T166-D169 PolarHBondContact OG1-OD2 3.47Å; T166-F170 VanDerWaalsContact O-CD2 3.24Å; T166-F170 WeakPolarHBondContact O-CD2 3.41Å
167	V	52.4	Low	66.9	Low	92 Å²	92	61.6 Å²	61.6	56%	0.558	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-13	172.6	-176.9	0	0	0	0	112.3
168	E	47.1	Very low	66.1	Low	136 Å²	136	65.4 Å²	65.4	64%	0.636	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-15.7	-179.8	-47.4	-151.7	127.9	0	0	113.2	T166 F170 K286	T166-E168 PolarHBondContact O-N 2.79Å; T166-E168 PolarHBondContact OG1-N 3.14Å; E168-F170 VanDerWaalsContact C-N 3.32Å; E168-K286 IonicContact OE1-NZ 2.76Å; E168-K286 PolarHBondContact OE1-NZ 2.87Å; E168-K286 VanDerWaalsContact OE1-NZ 3.1Å
169	D	51.7	Low	65.5	Low	31 Å²	31	65.5 Å²	65.5	17%	0.166	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-28.6	170.2	-64.5	-78.3	0	0	0	112	M125 K128 T166 Q171	M125-D169 HydrophobicContact CE-CB 4.21Å; M125-D169 HydrophobicContact CG-CB 4.14Å; M125-D169 HydrophobicContact SD-CB 4.17Å; K128-D169 IonicContact NZ-OD1 3.86Å; K128-D169 PolarHBondContact NZ-OD1 2.9Å; K128-D169 IonicContact NZ-OD2 3.66Å; K128-D169 PolarHBondContact NZ-OD2 3.33Å; T166-D169 WeakPolarHBondContact CA-OD2 3.41Å; T166-D169 WeakPolarHBondContact CB-OD2 3.49Å; T166-D169 PolarHBondContact N-OD2 2.88Å; T166-D169 PolarHBondContact O-N 3.38Å; T166-D169 VanDerWaalsContact O-N 3.15Å; T166-D169 PolarHBondContact OG1-N 2.68Å; T166-D169 PolarHBondContact OG1-OD2 3.47Å; D169-Q171 VanDerWaalsContact C-N 3.28Å; D169-Q171 PolarHBondContact O-N 3.04Å
170	F	54	Low	64.7	Low	74 Å²	74	66.9 Å²	66.9	33%	0.325	36%	0.363	S	S	.	.	S	Bend	trans	-74.4	78.5	173.3	-61.3	-99.8	0	0	0	109.6	F122 M125 L161 T166 E168 I172	F122-F170 HydrophobicContact CE1-CD1 4.28Å; F122-F170 AromaticContact CE1-CE1 3.85Å; F122-F170 HydrophobicContact CE1-CE1 3.85Å; M125-F170 HydrophobicContact CE-CE2 4.13Å; M125-F170 HydrophobicContact CE-CZ 4.11Å; L161-F170 HydrophobicContact CD1-CE1 4.47Å; L161-F170 HydrophobicContact CD1-CZ 3.97Å; T166-F170 VanDerWaalsContact O-CD2 3.24Å; T166-F170 WeakPolarHBondContact O-CD2 3.41Å; E168-F170 VanDerWaalsContact C-N 3.32Å; F170-I172 VanDerWaalsContact C-N 3.27Å; F170-I172 PolarHBondContact O-N 3.44Å
171	Q	52.7	Low	64.2	Low	123 Å²	123	66.7 Å²	66.7	58%	0.575	36%	0.364	S	S	*	.			trans	-72.6	79.2	-177.5	-70.4	-161.7	14	0	0	113.2	D169 R173	D169-Q171 VanDerWaalsContact C-N 3.28Å; D169-Q171 PolarHBondContact O-N 3.04Å; Q171-R173 VanDerWaalsContact O-CG 3.3Å; Q171-R173 WeakPolarHBondContact O-CG 3.32Å; Q171-R173 PolarHBondContact O-N 2.9Å
172	I	53.1	Low	64	Low	74 Å²	74	64.6 Å²	64.6	38%	0.379	35%	0.352	S	S	.	.			trans	-33.2	120.1	153.9	-64.6	171.8	0	0	0	109.4	F170 P174 N222 T287	F170-I172 VanDerWaalsContact C-N 3.27Å; F170-I172 PolarHBondContact O-N 3.44Å; I172-P174 WeakPolarHBondContact O-CD 3.29Å; I172-N222 HydrophobicContact CG2-CB 3.32Å; I172-T287 HydrophobicContact CD1-CG2 3.76Å
173	R	59.9	Low	63	Low	112 Å²	112	72.1 Å²	72.1	42%	0.423	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-103.5	80.3	-177.1	-60	-172.8	-173.8	163.1	7.1	110.6	Q171 N222 N223 C224	Q171-R173 VanDerWaalsContact O-CG 3.3Å; Q171-R173 WeakPolarHBondContact O-CG 3.32Å; Q171-R173 PolarHBondContact O-N 2.9Å; R173-N222 CarbonylContact C-O 3.51Å; R173-N222 WeakPolarHBondContact CA-O 3.3Å; R173-N222 PolarHBondContact N-O 3.28Å; R173-N222 CarbonylContact O-C 3.54Å; R173-N223 PolarHBondContact O-N 2.82Å; R173-C224 VanDerWaalsContact O-CB 3.23Å; R173-C224 WeakPolarHBondContact O-CB 3.25Å; R173-C224 PolarHBondContact O-N 3.09Å
174	P	61.3	Low	62.7	Low	62 Å²	62	69.9 Å²	69.9	40%	0.403	36%	0.363	S	S	.	.			trans	-66.7	141.6	-174.8	28.2	-36.7	0	0	0	112.9	I172 A176 N222	I172-P174 WeakPolarHBondContact O-CD 3.29Å; P174-A176 PolarHBondContact O-N 3.39Å; P174-N222 WeakPolarHBondContact CA-OD1 3.46Å; P174-N222 HydrophobicContact CB-CB 4.36Å
175	H	73	Confident	62.9	Low	5 Å²	5	65.1 Å²	65.1	2%	0.023	34%	0.344	C	S	.	.			trans	-66.2	122.1	172.2	-71.8	-92	0	0	0	110.8	L177 C205 C208 Y212 P221 V289	H175-L177 HydrophobicContact CB-CD2 3.86Å; H175-L177 HydrophobicContact CB-CG 4.14Å; H175-L177 PolarHBondContact O-N 3.5Å; H175-L177 VanDerWaalsContact O-N 3.1Å; H175-C205 PolarHBondContact ND1-SG 2.87Å; H175-C208 PolarHBondContact CE1-SG 2.59Å; H175-C208 PolarHBondContact ND1-SG 3.1Å; H175-C208 VanDerWaalsContact ND1-SG 3.36Å; H175-Y212 PolarHBondContact CE1-OH 3.48Å; H175-Y212 AromaticContact ND1-CE2 3.97Å; H175-P221 PolarHBondContact CD2-O 2.94Å; H175-V289 HydrophobicContact CB-CG1 3.99Å; H175-V289 HydrophobicContact CB-CG2 4.37Å
176	A	74.6	Confident	62.9	Low	41 Å²	41	65.6 Å²	65.6	34%	0.339	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-80.1	87.4	173.9	0	0	0	0	0	110	P174 E206	P174-A176 PolarHBondContact O-N 3.39Å; A176-E206 HydrophobicContact CB-CB 4.12Å; A176-E206 WeakPolarHBondContact O-CB 3.15Å; A176-E206 PolarHBondContact O-N 3.44Å
177	L	79.2	Confident	63.8	Low	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	148.9	-174.4	-62.4	-168.9	0	0	0	113.7	H175 L203 K204 C205 Y212 A217 V289 R340	H175-L177 HydrophobicContact CB-CD2 3.86Å; H175-L177 HydrophobicContact CB-CG 4.14Å; H175-L177 PolarHBondContact O-N 3.5Å; H175-L177 VanDerWaalsContact O-N 3.1Å; L177-L203 HydrophobicContact CB-CB 4.24Å; L177-L203 HydrophobicContact CB-CD1 4.34Å; L177-L203 HydrophobicContact CD1-CB 3.92Å; L177-L203 HydrophobicContact CD1-CD1 3.55Å; L177-L203 HydrophobicContact CD1-CG 4.39Å; L177-L203 HydrophobicContact CG-CB 4.46Å; L177-K204 WeakPolarHBondContact CA-O 3.47Å; L177-C205 HydrophobicContact CD2-CB 3.83Å; L177-Y212 HydrophobicContact CD2-CD2 3.84Å; L177-Y212 HydrophobicContact CD2-CE2 4.11Å; L177-A217 HydrophobicContact CD1-CB 4.2Å; L177-V289 HydrophobicContact CD1-CG1 3.5Å; L177-V289 VanDerWaalsContact CD1-CG1 3.5Å; L177-V289 HydrophobicContact CG-CG1 3.69Å; L177-R340 PolarHBondContact O-NH1 3.42Å
178	Y	74.4	Confident	64.9	Low	81 Å²	81	61.4 Å²	61.4	32%	0.318	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	148.5	168.2	70.6	-75.9	0	0	0	110.5	H180 L203 K204 E206	Y178-H180 HydrophobicContact CE2-CB 4.44Å; Y178-H180 AromaticContact CE2-CD2 3.8Å; Y178-L203 CarbonylContact O-C 3.11Å; Y178-L203 VanDerWaalsContact O-CA 3.25Å; Y178-L203 WeakPolarHBondContact O-CA 3.32Å; Y178-K204 HydrophobicContact CD1-CB 4.16Å; Y178-K204 WeakPolarHBondContact CD1-O 3.34Å; Y178-K204 HydrophobicContact CE1-CB 3.61Å; Y178-K204 HydrophobicContact CE1-CG 3.86Å; Y178-K204 WeakPolarHBondContact CE1-O 3.44Å; Y178-K204 HydrophobicContact CE2-CB 4.42Å; Y178-K204 PolarHBondContact N-O 2.89Å; Y178-K204 PolarHBondContact O-N 3.43Å; Y178-E206 HydrophobicContact CD1-CB 4.46Å; Y178-E206 HydrophobicContact CD1-CG 3.55Å; Y178-E206 HydrophobicContact CE1-CG 3.75Å; Y178-E206 HydrophobicContact CG-CG 4.42Å
179	V	77.6	Confident	66.6	Low	41 Å²	41	58.7 Å²	58.7	25%	0.248	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.9	177.5	-173.2	0	0	0	0	109.6	R200 L203 P292	V179-R200 HydrophobicContact CG1-CB 3.67Å; V179-R200 HydrophobicContact CG1-CG 3.79Å; V179-L203 HydrophobicContact CB-CD2 4.27Å; V179-L203 HydrophobicContact CG2-CD2 3.76Å; V179-P292 HydrophobicContact CG2-CG 3.97Å
180	H	72.8	Confident	67.6	Low	48 Å²	48	62.2 Å²	62.2	22%	0.222	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	139.1	-173.7	-171.6	-92.1	0	0	0	111.8	Y178 Y182 R200 Q201 G202 K204	Y178-H180 HydrophobicContact CE2-CB 4.44Å; Y178-H180 AromaticContact CE2-CD2 3.8Å; H180-Y182 HydrophobicContact CB-CD2 4.48Å; H180-Y182 HydrophobicContact CB-CE2 3.77Å; H180-Y182 AromaticContact CE1-CD1 3.72Å; H180-Y182 AromaticContact CE1-CE1 3.74Å; H180-Y182 AromaticContact CG-CE2 3.92Å; H180-Y182 AromaticContact CG-CZ 3.85Å; H180-Y182 AromaticContact ND1-CD1 3.37Å; H180-Y182 WeakPolarHBondContact ND1-CD1 3.36Å; H180-Y182 AromaticContact ND1-CD2 3.49Å; H180-Y182 WeakPolarHBondContact ND1-CD2 3.36Å; H180-Y182 AromaticContact ND1-CE1 3.22Å; H180-Y182 WeakPolarHBondContact ND1-CE1 3.49Å; H180-Y182 AromaticContact ND1-CE2 3.34Å; H180-Y182 VanDerWaalsContact ND1-CE2 3.34Å; H180-Y182 WeakPolarHBondContact ND1-CE2 3.46Å; H180-Y182 AromaticContact ND1-CG 3.53Å; H180-Y182 AromaticContact ND1-CZ 3.24Å; H180-R200 CarbonylContact O-C 3.58Å; H180-R200 WeakPolarHBondContact O-CA 3.48Å; H180-Q201 PolarHBondContact O-N 2.79Å; H180-G202 PolarHBondContact N-O 2.84Å; H180-K204 HydrophobicContact CB-CB 3.83Å
181	S	72.9	Confident	68.2	Low	46 Å²	46	61 Å²	61	32%	0.322	32%	0.315	S	S	.	.			trans	-98.1	127.2	169.5	-64.3	0	0	0	0	109.5	R200	S181-R200 PolarHBondContact OG-N 3.5Å
182	Y	71.2	Confident	68.4	Low	20 Å²	20	57.8 Å²	57.8	8%	0.078	32%	0.315	C	S	.	.			trans	-102.5	121.8	-174.7	-67.2	-90.7	0	0	0	110.5	H180 A184 T186 L195 Q201 K204 N211	H180-Y182 HydrophobicContact CB-CD2 4.48Å; H180-Y182 HydrophobicContact CB-CE2 3.77Å; H180-Y182 AromaticContact CE1-CD1 3.72Å; H180-Y182 AromaticContact CE1-CE1 3.74Å; H180-Y182 AromaticContact CG-CE2 3.92Å; H180-Y182 AromaticContact CG-CZ 3.85Å; H180-Y182 AromaticContact ND1-CD1 3.37Å; H180-Y182 WeakPolarHBondContact ND1-CD1 3.36Å; H180-Y182 AromaticContact ND1-CD2 3.49Å; H180-Y182 WeakPolarHBondContact ND1-CD2 3.36Å; H180-Y182 AromaticContact ND1-CE1 3.22Å; H180-Y182 WeakPolarHBondContact ND1-CE1 3.49Å; H180-Y182 AromaticContact ND1-CE2 3.34Å; H180-Y182 VanDerWaalsContact ND1-CE2 3.34Å; H180-Y182 WeakPolarHBondContact ND1-CE2 3.46Å; H180-Y182 AromaticContact ND1-CG 3.53Å; H180-Y182 AromaticContact ND1-CZ 3.24Å; Y182-A184 VanDerWaalsContact C-N 3.25Å; Y182-A184 PolarHBondContact O-N 2.81Å; Y182-T186 HydrophobicContact CD1-CG2 3.65Å; Y182-T186 VanDerWaalsContact CD1-OG1 3.23Å; Y182-T186 WeakPolarHBondContact CD1-OG1 3.39Å; Y182-T186 HydrophobicContact CE1-CG2 3.64Å; Y182-T186 HydrophobicContact CG-CG2 4.44Å; Y182-L195 HydrophobicContact CD2-CD1 3.92Å; Y182-L195 HydrophobicContact CE1-CD1 4.29Å; Y182-L195 HydrophobicContact CE2-CD1 3.54Å; Y182-L195 HydrophobicContact CG-CD1 4.43Å; Y182-Q201 HydrophobicContact CD2-CB 4.33Å; Y182-Q201 PolarHBondContact O-NE2 2.96Å; Y182-Q201 VanDerWaalsContact O-NE2 3.17Å; Y182-K204 WeakPolarHBondContact OH-CB 3.45Å; Y182-N211 HydrophobicContact CE1-CB 4.25Å; Y182-N211 WeakPolarHBondContact CE1-OD1 3.49Å; Y182-N211 WeakPolarHBondContact OH-CB 3.25Å; Y182-N211 PolarHBondContact OH-OD1 3.36Å
183	K	57.4	Low	68.6	Low	182 Å²	182	57.9 Å²	57.9	79%	0.791	31%	0.314	S	S	*	.	S	Bend	trans	-83.7	4.8	179.7	-58.9	-157.4	172.2	-139.3	0	114	D800	K183-D800 IonicContact NZ-OD2 2.83Å; K183-D800 PolarHBondContact NZ-OD2 2.96Å
184	A	56.8	Low	68.6	Low	62 Å²	62	53.8 Å²	53.8	51%	0.512	30%	0.299	S	S	.	.	S	Bend	trans	-150.3	155.4	177.1	0	0	0	0	0	109.9	Y182 T186	Y182-A184 VanDerWaalsContact C-N 3.25Å; Y182-A184 PolarHBondContact O-N 2.81Å; A184-T186 PolarHBondContact O-N 3.45Å; A184-T186 PolarHBondContact O-OG1 3.29Å
185	P	61.5	Low	68.3	Low	43 Å²	43	51.2 Å²	51.2	28%	0.279	28%	0.282	S	S	.	.			trans	-53.5	108.5	176.3	-26.4	35.7	0	0	0	111.5	M194 R423 V424	P185-M194 HydrophobicContact CB-SD 4.14Å; P185-R423 HydrophobicContact CG-CB 4.46Å; P185-R423 HydrophobicContact CG-CG 4.22Å; P185-V424 HydrophobicContact CG-CG2 4.28Å
186	T	60.1	Low	67.1	Low	33 Å²	33	57.9 Å²	57.9	20%	0.202	31%	0.307	C	S	.	.			trans	-118.3	141	-177.2	-54.6	0	0	0	0	108.5	Y182 A184 L195 N211	Y182-T186 HydrophobicContact CD1-CG2 3.65Å; Y182-T186 VanDerWaalsContact CD1-OG1 3.23Å; Y182-T186 WeakPolarHBondContact CD1-OG1 3.39Å; Y182-T186 HydrophobicContact CE1-CG2 3.64Å; Y182-T186 HydrophobicContact CG-CG2 4.44Å; A184-T186 PolarHBondContact O-N 3.45Å; A184-T186 PolarHBondContact O-OG1 3.29Å; T186-L195 HydrophobicContact CG2-CD1 4.01Å; T186-L195 WeakPolarHBondContact O-CB 3.23Å; T186-L195 WeakPolarHBondContact O-CG 3.47Å; T186-L195 PolarHBondContact O-N 2.72Å; T186-N211 HydrophobicContact CG2-CB 4.04Å
187	F	76.1	Confident	65.6	Low	74 Å²	74	58 Å²	58	33%	0.325	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-102.3	157.6	-176.8	-64.8	-97.8	0	0	0	110.5	G192 E193 M194	F187-G192 WeakPolarHBondContact CD1-O 3.28Å; F187-E193 CarbonylContact C-O 3.36Å; F187-E193 WeakPolarHBondContact CA-O 3.3Å; F187-M194 HydrophobicContact CD1-CB 4.01Å; F187-M194 HydrophobicContact CE1-CB 3.79Å; F187-M194 HydrophobicContact CE1-CG 4.5Å; F187-M194 HydrophobicContact CZ-CB 4.37Å
188	C	75	Confident	63.9	Low	1 Å²	1	62.5 Å²	62.5	1%	0.007	34%	0.337	C	S	.	.			trans	-81.4	116.3	173	174.7	0	0	0	0	109.6	Y190 C191 G192 E193 L195 N211 Y212 H213	C188-Y190 PolarHBondContact O-N 3.34Å; C188-C191 VanDerWaalsContact CB-SG 3.57Å; C188-C191 PolarHBondContact O-N 3.48Å; C188-C191 VanDerWaalsContact SG-SG 3.66Å; C188-G192 WeakPolarHBondContact O-CA 3.43Å; C188-G192 PolarHBondContact O-N 3.22Å; C188-E193 PolarHBondContact N-O 2.86Å; C188-L195 HydrophobicContact CB-CD2 3.89Å; C188-N211 CarbonylContact C-O 3.51Å; C188-N211 VanDerWaalsContact CA-O 3.32Å; C188-N211 WeakPolarHBondContact CA-O 3.39Å; C188-Y212 VanDerWaalsContact SG-CA 3.59Å; C188-H213 WeakPolarHBondContact CB-CE1 3.44Å; C188-H213 VanDerWaalsContact CB-ND1 3.28Å; C188-H213 WeakPolarHBondContact CB-ND1 3.49Å
189	D	82.3	Confident	62.6	Low	79 Å²	79	60.8 Å²	60.8	42%	0.422	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	12.8	179.7	-62.3	-60.8	0	0	0	113.8	L210 N211 Y212	D189-L210 HydrophobicContact CB-CB 3.98Å; D189-L210 HydrophobicContact CB-CD1 4.35Å; D189-L210 HydrophobicContact CB-CD2 4.1Å; D189-L210 HydrophobicContact CB-CG 4.36Å; D189-L210 WeakPolarHBondContact OD2-CA 3.44Å; D189-N211 PolarHBondContact N-O 3.2Å; D189-N211 WeakPolarHBondContact OD2-CB 3.46Å; D189-N211 PolarHBondContact OD2-N 3.41Å; D189-N211 PolarHBondContact OD2-ND2 2.82Å; D189-Y212 HydrophobicContact CB-CE1 4.1Å
190	Y	74.6	Confident	61.8	Low	105 Å²	105	64.2 Å²	64.2	41%	0.412	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116	-44.7	174	173.9	-90.6	0	0	0	112.8	C188 C216 K219 I220	C188-Y190 PolarHBondContact O-N 3.34Å; Y190-C216 HydrophobicContact CD1-CB 3.97Å; Y190-C216 HydrophobicContact CG-CB 4.5Å; Y190-K219 HydrophobicContact CE1-CB 3.8Å; Y190-K219 HydrophobicContact CE1-CD 4.18Å; Y190-K219 HydrophobicContact CE2-CB 4.32Å; Y190-K219 WeakPolarHBondContact CE2-O 3.21Å; Y190-K219 WeakPolarHBondContact OH-CB 3.32Å; Y190-K219 PolarHBondContact OH-O 2.97Å; Y190-I220 HydrophobicContact CD2-CB 4.38Å; Y190-I220 HydrophobicContact CD2-CG1 3.89Å; Y190-I220 HydrophobicContact CG-CG1 4.02Å
191	C	65.2	Low	61.6	Low	50 Å²	50	63 Å²	63	34%	0.338	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-9.1	179.8	60.5	0	0	0	0	114.5	C188 E193 H213	C188-C191 VanDerWaalsContact CB-SG 3.57Å; C188-C191 PolarHBondContact O-N 3.48Å; C188-C191 VanDerWaalsContact SG-SG 3.66Å; C191-E193 HydrophobicContact CB-CG 4.25Å; C191-E193 PolarHBondContact O-N 3.09Å; C191-E193 PolarHBondContact SG-OE2 3.21Å; C191-H213 VanDerWaalsContact SG-CE1 3.52Å
192	G	57	Low	61.7	Low	55 Å²	55	60.9 Å²	60.9	57%	0.567	32%	0.322	S	S	*	.			trans	73.5	0	-177.2	0	0	0	0	0	115.2	F187 C188	F187-G192 WeakPolarHBondContact CD1-O 3.28Å; C188-G192 WeakPolarHBondContact O-CA 3.43Å; C188-G192 PolarHBondContact O-N 3.22Å
193	E	58.7	Low	62.2	Low	76 Å²	76	60 Å²	60	36%	0.355	32%	0.319	S	S	.	.			trans	-84.9	154.8	178.1	-48.1	165.9	119.6	0	0	111.5	F187 C188 C191 H213 R215	F187-E193 CarbonylContact C-O 3.36Å; F187-E193 WeakPolarHBondContact CA-O 3.3Å; C188-E193 PolarHBondContact N-O 2.86Å; C191-E193 HydrophobicContact CB-CG 4.25Å; C191-E193 PolarHBondContact O-N 3.09Å; C191-E193 PolarHBondContact SG-OE2 3.21Å; E193-H213 IonicContact OE2-CE1 3.9Å; E193-R215 VanDerWaalsContact CD-NH2 3.26Å; E193-R215 IonicContact OE1-NH2 2.71Å; E193-R215 PolarHBondContact OE1-NH2 2.97Å; E193-R215 IonicContact OE2-CZ 2.7Å; E193-R215 IonicContact OE2-NE 3.87Å; E193-R215 IonicContact OE2-NH2 2.71Å; E193-R215 PolarHBondContact OE2-NH2 2.86Å
194	M	58.2	Low	63.6	Low	25 Å²	25	54.2 Å²	54.2	12%	0.123	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-64.5	144.8	178.6	-175.5	165.6	47	0	0	112.4	P185 F187 W196 H213 R423	P185-M194 HydrophobicContact CB-SD 4.14Å; F187-M194 HydrophobicContact CD1-CB 4.01Å; F187-M194 HydrophobicContact CE1-CB 3.79Å; F187-M194 HydrophobicContact CE1-CG 4.5Å; F187-M194 HydrophobicContact CZ-CB 4.37Å; M194-W196 HydrophobicContact CB-CZ2 4.47Å; M194-W196 HydrophobicContact CE-CD2 4.05Å; M194-W196 HydrophobicContact CE-CE3 3.86Å; M194-W196 HydrophobicContact CE-CH2 3.42Å; M194-W196 VanDerWaalsContact CE-CH2 3.42Å; M194-W196 HydrophobicContact CE-CZ2 3.62Å; M194-W196 HydrophobicContact CE-CZ3 3.56Å; M194-W196 PolarHBondContact O-N 3.05Å; M194-W196 PolarHBondContact O-NE1 2.7Å; M194-H213 PolarHBondContact O-NE2 2.8Å; M194-R423 HydrophobicContact SD-CG 4.42Å
195	L	55.6	Low	64.9	Low	8 Å²	8	51.4 Å²	51.4	4%	0.042	27%	0.27	C	S	.	.			trans	-76.6	95.9	169.1	-60.5	177.6	0	0	0	109.1	Y182 T186 C188 Q201 N211 H213	Y182-L195 HydrophobicContact CD2-CD1 3.92Å; Y182-L195 HydrophobicContact CE1-CD1 4.29Å; Y182-L195 HydrophobicContact CE2-CD1 3.54Å; Y182-L195 HydrophobicContact CG-CD1 4.43Å; T186-L195 HydrophobicContact CG2-CD1 4.01Å; T186-L195 WeakPolarHBondContact O-CB 3.23Å; T186-L195 WeakPolarHBondContact O-CG 3.47Å; T186-L195 PolarHBondContact O-N 2.72Å; C188-L195 HydrophobicContact CB-CD2 3.89Å; L195-Q201 HydrophobicContact CB-CB 3.89Å; L195-N211 HydrophobicContact CD1-CB 4.11Å; L195-H213 HydrophobicContact CD2-CB 4.33Å
196	W	47.9	Very low	65.6	Low	145 Å²	145	51.8 Å²	51.8	55%	0.549	27%	0.269	S	S	.	.			trans	-72.9	155.8	-177.5	-59.2	92.1	0	0	0	113.2	M194 Q201	M194-W196 HydrophobicContact CB-CZ2 4.47Å; M194-W196 HydrophobicContact CE-CD2 4.05Å; M194-W196 HydrophobicContact CE-CE3 3.86Å; M194-W196 HydrophobicContact CE-CH2 3.42Å; M194-W196 VanDerWaalsContact CE-CH2 3.42Å; M194-W196 HydrophobicContact CE-CZ2 3.62Å; M194-W196 HydrophobicContact CE-CZ3 3.56Å; M194-W196 PolarHBondContact O-N 3.05Å; M194-W196 PolarHBondContact O-NE1 2.7Å; W196-Q201 WeakPolarHBondContact O-CB 3.49Å; W196-Q201 WeakPolarHBondContact O-CG 3.27Å
197	G	43.9	Very low	66.2	Low	45 Å²	45	51.3 Å²	51.3	46%	0.464	27%	0.27	S	S	.	.	S	Bend	trans	101.4	174.6	-174.5	0	0	0	0	0	113.8	Q201	G197-Q201 VanDerWaalsContact C-CG 3.43Å; G197-Q201 WeakPolarHBondContact O-CG 3.5Å; G197-Q201 PolarHBondContact O-NE2 3.08Å
198	L	42.7	Very low	66.2	Low	94 Å²	94	49.1 Å²	49.1	49%	0.492	26%	0.263	S	S	.	.	S	Bend	trans	-105	-39.9	-173.2	-63.2	162.7	0	0	0	112.3	Q201 F795 E799	L198-Q201 VanDerWaalsContact C-NE2 3.34Å; L198-Q201 PolarHBondContact O-NE2 3.13Å; L198-F795 HydrophobicContact CD1-CD2 3.81Å; L198-F795 HydrophobicContact CD1-CE1 4.1Å; L198-F795 HydrophobicContact CD1-CE2 3.32Å; L198-F795 HydrophobicContact CD1-CG 4.41Å; L198-F795 HydrophobicContact CD1-CZ 3.48Å; L198-F795 VanDerWaalsContact CD1-CZ 3.48Å; L198-F795 HydrophobicContact CD2-CE2 4.25Å; L198-F795 HydrophobicContact CG-CE2 4.42Å; L198-E799 WeakPolarHBondContact CB-OE2 3.13Å
199	V	47.1	Very low	66.5	Low	45 Å²	45	50.5 Å²	50.5	27%	0.273	28%	0.278	S	S	.	.	S	Bend	trans	-129.7	146.7	174	152.3	0	0	0	0	111.5	Q201 E799	V199-Q201 VanDerWaalsContact C-N 3.26Å; V199-Q201 PolarHBondContact O-N 3.23Å; V199-E799 HydrophobicContact CB-CB 4.3Å; V199-E799 VanDerWaalsContact CB-OE2 3.29Å; V199-E799 WeakPolarHBondContact CB-OE2 3.18Å; V199-E799 HydrophobicContact CG2-CB 3.64Å; V199-E799 HydrophobicContact CG2-CG 4.36Å; V199-E799 VanDerWaalsContact CG2-OE2 3.27Å; V199-E799 WeakPolarHBondContact CG2-OE2 3.17Å; V199-E799 PolarHBondContact N-OE2 2.95Å
200	R	60	Low	66.7	Low	112 Å²	112	49.7 Å²	49.7	42%	0.423	27%	0.273	S	S	.	.	S	Bend	trans	53.2	37.7	-179.7	-62	171.7	-165.8	-155	1.5	113.4	V179 H180 S181 G202 K214 T294	V179-R200 HydrophobicContact CG1-CB 3.67Å; V179-R200 HydrophobicContact CG1-CG 3.79Å; H180-R200 CarbonylContact O-C 3.58Å; H180-R200 WeakPolarHBondContact O-CA 3.48Å; S181-R200 PolarHBondContact OG-N 3.5Å; R200-G202 PolarHBondContact O-N 2.94Å; R200-K214 WeakPolarHBondContact O-CE 3.4Å; R200-K214 PolarHBondContact O-NZ 2.9Å; R200-T294 VanDerWaalsContact NH1-CG2 3.3Å
201	Q	68.8	Low	67.3	Low	24 Å²	24	45.8 Å²	45.8	11%	0.112	26%	0.26	C	S	.	.			trans	-58.7	-33.4	-174.6	-58.3	93.9	-30.4	0	0	113.3	H180 Y182 L195 W196 G197 L198 V199	H180-Q201 PolarHBondContact O-N 2.79Å; Y182-Q201 HydrophobicContact CD2-CB 4.33Å; Y182-Q201 PolarHBondContact O-NE2 2.96Å; Y182-Q201 VanDerWaalsContact O-NE2 3.17Å; L195-Q201 HydrophobicContact CB-CB 3.89Å; W196-Q201 WeakPolarHBondContact O-CB 3.49Å; W196-Q201 WeakPolarHBondContact O-CG 3.27Å; G197-Q201 VanDerWaalsContact C-CG 3.43Å; G197-Q201 WeakPolarHBondContact O-CG 3.5Å; G197-Q201 PolarHBondContact O-NE2 3.08Å; L198-Q201 VanDerWaalsContact C-NE2 3.34Å; L198-Q201 PolarHBondContact O-NE2 3.13Å; V199-Q201 VanDerWaalsContact C-N 3.26Å; V199-Q201 PolarHBondContact O-N 3.23Å
202	G	75.9	Confident	68.1	Low	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	-170.7	-172.9	0	0	0	0	0	114.2	H180 R200 Y212	H180-G202 PolarHBondContact N-O 2.84Å; R200-G202 PolarHBondContact O-N 2.94Å; G202-Y212 CarbonylContact C-O 3.54Å; G202-Y212 VanDerWaalsContact CA-O 3.3Å; G202-Y212 WeakPolarHBondContact CA-O 3.24Å
203	L	82.6	Confident	69	Low	2 Å²	2	41.7 Å²	41.7	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.3	174.7	-56.7	-178.9	0	0	0	108.1	L177 Y178 V179 N211 Y212 K214 A217 V291 P292	L177-L203 HydrophobicContact CB-CB 4.24Å; L177-L203 HydrophobicContact CB-CD1 4.34Å; L177-L203 HydrophobicContact CD1-CB 3.92Å; L177-L203 HydrophobicContact CD1-CD1 3.55Å; L177-L203 HydrophobicContact CD1-CG 4.39Å; L177-L203 HydrophobicContact CG-CB 4.46Å; Y178-L203 CarbonylContact O-C 3.11Å; Y178-L203 VanDerWaalsContact O-CA 3.25Å; Y178-L203 WeakPolarHBondContact O-CA 3.32Å; V179-L203 HydrophobicContact CB-CD2 4.27Å; V179-L203 HydrophobicContact CG2-CD2 3.76Å; L203-N211 CarbonylContact O-C 3.54Å; L203-N211 WeakPolarHBondContact O-CA 3.41Å; L203-Y212 PolarHBondContact N-O 2.9Å; L203-Y212 PolarHBondContact O-N 3.48Å; L203-K214 HydrophobicContact CD1-CG 4.5Å; L203-K214 HydrophobicContact CD2-CG 4.11Å; L203-K214 HydrophobicContact CG-CG 4.04Å; L203-A217 HydrophobicContact CD1-CB 3.7Å; L203-V291 HydrophobicContact CD1-CG1 4.46Å; L203-P292 HydrophobicContact CD2-CG 4.31Å
204	K	85.3	Confident	69.5	Low	60 Å²	60	42.4 Å²	42.4	26%	0.261	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	146.9	172.2	-170.8	156.9	179.6	164.4	0	109.9	L177 Y178 H180 Y182 G209 L210	L177-K204 WeakPolarHBondContact CA-O 3.47Å; Y178-K204 HydrophobicContact CD1-CB 4.16Å; Y178-K204 WeakPolarHBondContact CD1-O 3.34Å; Y178-K204 HydrophobicContact CE1-CB 3.61Å; Y178-K204 HydrophobicContact CE1-CG 3.86Å; Y178-K204 WeakPolarHBondContact CE1-O 3.44Å; Y178-K204 HydrophobicContact CE2-CB 4.42Å; Y178-K204 PolarHBondContact N-O 2.89Å; Y178-K204 PolarHBondContact O-N 3.43Å; H180-K204 HydrophobicContact CB-CB 3.83Å; Y182-K204 WeakPolarHBondContact OH-CB 3.45Å; K204-G209 VanDerWaalsContact CE-O 3.23Å; K204-G209 WeakPolarHBondContact CE-O 3.43Å; K204-L210 CarbonylContact C-O 3.44Å
205	C	85.2	Confident	70	Confident	3 Å²	3	46 Å²	46	2%	0.02	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	124.7	175	-167.5	0	0	0	0	111.2	H175 L177 G207 C208 G209 L210 Y212	H175-C205 PolarHBondContact ND1-SG 2.87Å; L177-C205 HydrophobicContact CD2-CB 3.83Å; C205-G207 PolarHBondContact O-N 3.4Å; C205-G207 PolarHBondContact SG-N 2.89Å; C205-G207 VanDerWaalsContact SG-N 3.42Å; C205-C208 VanDerWaalsContact CB-SG 3.56Å; C205-G209 VanDerWaalsContact O-CA 3.32Å; C205-G209 WeakPolarHBondContact O-CA 3.41Å; C205-G209 PolarHBondContact O-N 2.85Å; C205-L210 PolarHBondContact N-O 3.36Å; C205-Y212 HydrophobicContact CB-CE2 4.34Å
206	E	76.4	Confident	70.6	Confident	52 Å²	52	45.9 Å²	45.9	24%	0.243	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-15.1	171.9	-87	-169	102	0	0	113.4	A176 Y178 R228 R340	A176-E206 HydrophobicContact CB-CB 4.12Å; A176-E206 WeakPolarHBondContact O-CB 3.15Å; A176-E206 PolarHBondContact O-N 3.44Å; Y178-E206 HydrophobicContact CD1-CB 4.46Å; Y178-E206 HydrophobicContact CD1-CG 3.55Å; Y178-E206 HydrophobicContact CE1-CG 3.75Å; Y178-E206 HydrophobicContact CG-CG 4.42Å; E206-R228 VanDerWaalsContact CD-NH1 3.31Å; E206-R228 WeakPolarHBondContact O-CD 3.46Å; E206-R228 PolarHBondContact O-NE 3.28Å; E206-R228 IonicContact OE1-CZ 3.09Å; E206-R228 IonicContact OE1-NH1 2.67Å; E206-R228 PolarHBondContact OE1-NH1 3.03Å; E206-R228 IonicContact OE1-NH2 2.83Å; E206-R228 PolarHBondContact OE1-NH2 3.27Å; E206-R228 IonicContact OE2-NH1 3.94Å; E206-R340 IonicContact OE2-CZ 3.1Å; E206-R340 VanDerWaalsContact OE2-CZ 3.29Å; E206-R340 IonicContact OE2-NH1 3.26Å; E206-R340 PolarHBondContact OE2-NH1 3.42Å; E206-R340 IonicContact OE2-NH2 2.71Å; E206-R340 PolarHBondContact OE2-NH2 3.09Å
207	G	72.9	Confident	71.6	Confident	23 Å²	23	39 Å²	39	24%	0.237	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.8	-87.2	175.1	0	0	0	0	0	112	C205 G209 G226	C205-G207 PolarHBondContact O-N 3.4Å; C205-G207 PolarHBondContact SG-N 2.89Å; C205-G207 VanDerWaalsContact SG-N 3.42Å; G207-G209 PolarHBondContact O-N 3.15Å; G207-G226 WeakPolarHBondContact CA-O 2.99Å
208	C	74.8	Confident	72.5	Confident	27 Å²	27	41.2 Å²	41.2	18%	0.182	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-3.2	-174.5	59.7	0	0	0	0	115.3	H175 C205 L210 T225	H175-C208 PolarHBondContact CE1-SG 2.59Å; H175-C208 PolarHBondContact ND1-SG 3.1Å; H175-C208 VanDerWaalsContact ND1-SG 3.36Å; C205-C208 VanDerWaalsContact CB-SG 3.56Å; C208-L210 HydrophobicContact CB-CD1 4.37Å; C208-L210 HydrophobicContact CB-CG 4.14Å; C208-L210 PolarHBondContact O-N 3.42Å; C208-T225 WeakPolarHBondContact CB-OG1 3.43Å
209	G	81.3	Confident	73.3	Confident	31 Å²	31	43.6 Å²	43.6	32%	0.32	21%	0.212	S	C	.	.			trans	72.3	-8	-178.3	0	0	0	0	0	115.7	K204 C205 G207	K204-G209 VanDerWaalsContact CE-O 3.23Å; K204-G209 WeakPolarHBondContact CE-O 3.43Å; C205-G209 VanDerWaalsContact O-CA 3.32Å; C205-G209 WeakPolarHBondContact O-CA 3.41Å; C205-G209 PolarHBondContact O-N 2.85Å; G207-G209 PolarHBondContact O-N 3.15Å
210	L	85.9	Confident	74.2	Confident	61 Å²	61	42 Å²	42	32%	0.319	20%	0.202	S	C	.	.			trans	-66.5	162.1	179.7	-58.8	-179.1	0	0	0	113	D189 K204 C205 C208 Y212	D189-L210 HydrophobicContact CB-CB 3.98Å; D189-L210 HydrophobicContact CB-CD1 4.35Å; D189-L210 HydrophobicContact CB-CD2 4.1Å; D189-L210 HydrophobicContact CB-CG 4.36Å; D189-L210 WeakPolarHBondContact OD2-CA 3.44Å; K204-L210 CarbonylContact C-O 3.44Å; C205-L210 PolarHBondContact N-O 3.36Å; C208-L210 HydrophobicContact CB-CD1 4.37Å; C208-L210 HydrophobicContact CB-CG 4.14Å; C208-L210 PolarHBondContact O-N 3.42Å; L210-Y212 HydrophobicContact CB-CE1 4.41Å; L210-Y212 HydrophobicContact CB-CE2 3.94Å; L210-Y212 WeakPolarHBondContact CB-OH 3.36Å; L210-Y212 WeakPolarHBondContact CD1-OH 3.24Å
211	N	87.3	Confident	74.3	Confident	23 Å²	23	39.7 Å²	39.7	12%	0.123	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	134.7	-161	-48.5	-82.5	0	0	0	109.6	Y182 T186 C188 D189 L195 L203	Y182-N211 HydrophobicContact CE1-CB 4.25Å; Y182-N211 WeakPolarHBondContact CE1-OD1 3.49Å; Y182-N211 WeakPolarHBondContact OH-CB 3.25Å; Y182-N211 PolarHBondContact OH-OD1 3.36Å; T186-N211 HydrophobicContact CG2-CB 4.04Å; C188-N211 CarbonylContact C-O 3.51Å; C188-N211 VanDerWaalsContact CA-O 3.32Å; C188-N211 WeakPolarHBondContact CA-O 3.39Å; D189-N211 PolarHBondContact N-O 3.2Å; D189-N211 WeakPolarHBondContact OD2-CB 3.46Å; D189-N211 PolarHBondContact OD2-N 3.41Å; D189-N211 PolarHBondContact OD2-ND2 2.82Å; L195-N211 HydrophobicContact CD1-CB 4.11Å; L203-N211 CarbonylContact O-C 3.54Å; L203-N211 WeakPolarHBondContact O-CA 3.41Å
212	Y	81.9	Confident	73.9	Confident	7 Å²	7	39.5 Å²	39.5	3%	0.027	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	146	-169.9	-52.7	-74	0	0	0	112.5	H175 L177 C188 D189 G202 L203 C205 L210 I220	H175-Y212 PolarHBondContact CE1-OH 3.48Å; H175-Y212 AromaticContact ND1-CE2 3.97Å; L177-Y212 HydrophobicContact CD2-CD2 3.84Å; L177-Y212 HydrophobicContact CD2-CE2 4.11Å; C188-Y212 VanDerWaalsContact SG-CA 3.59Å; D189-Y212 HydrophobicContact CB-CE1 4.1Å; G202-Y212 CarbonylContact C-O 3.54Å; G202-Y212 VanDerWaalsContact CA-O 3.3Å; G202-Y212 WeakPolarHBondContact CA-O 3.24Å; L203-Y212 PolarHBondContact N-O 2.9Å; L203-Y212 PolarHBondContact O-N 3.48Å; C205-Y212 HydrophobicContact CB-CE2 4.34Å; L210-Y212 HydrophobicContact CB-CE1 4.41Å; L210-Y212 HydrophobicContact CB-CE2 3.94Å; L210-Y212 WeakPolarHBondContact CB-OH 3.36Å; L210-Y212 WeakPolarHBondContact CD1-OH 3.24Å; Y212-I220 HydrophobicContact CD1-CD1 3.34Å; Y212-I220 HydrophobicContact CD1-CG1 3.85Å; Y212-I220 HydrophobicContact CD2-CD1 3.65Å; Y212-I220 HydrophobicContact CE1-CD1 3.74Å; Y212-I220 HydrophobicContact CE1-CG1 3.98Å; Y212-I220 HydrophobicContact CE1-CG2 4.31Å; Y212-I220 HydrophobicContact CE2-CD1 4.01Å; Y212-I220 HydrophobicContact CG-CD1 3.28Å; Y212-I220 HydrophobicContact CG-CG1 4.29Å
213	H	76.5	Confident	73.4	Confident	13 Å²	13	42.5 Å²	42.5	6%	0.06	22%	0.217	C	C	.	.			trans	-65.8	152.8	166.5	-54.8	96.3	0	0	0	110.3	C188 C191 E193 M194 L195 R215 C216 A217	C188-H213 WeakPolarHBondContact CB-CE1 3.44Å; C188-H213 VanDerWaalsContact CB-ND1 3.28Å; C188-H213 WeakPolarHBondContact CB-ND1 3.49Å; C191-H213 VanDerWaalsContact SG-CE1 3.52Å; E193-H213 IonicContact OE2-CE1 3.9Å; M194-H213 PolarHBondContact O-NE2 2.8Å; L195-H213 HydrophobicContact CD2-CB 4.33Å; H213-R215 HydrophobicContact CB-CB 4.49Å; H213-R215 HydrophobicContact CB-CG 3.6Å; H213-R215 PolarHBondContact O-N 3.2Å; H213-C216 HydrophobicContact CB-CB 4.23Å; H213-C216 PolarHBondContact ND1-SG 3.42Å; H213-C216 PolarHBondContact O-N 2.99Å; H213-A217 PolarHBondContact O-N 3.28Å
214	K	70.2	Confident	72.9	Confident	91 Å²	91	43 Å²	43	40%	0.396	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-33.7	166	-59.1	169.8	-166.7	160.7	0	111.9	R200 L203 A217	R200-K214 WeakPolarHBondContact O-CE 3.4Å; R200-K214 PolarHBondContact O-NZ 2.9Å; L203-K214 HydrophobicContact CD1-CG 4.5Å; L203-K214 HydrophobicContact CD2-CG 4.11Å; L203-K214 HydrophobicContact CG-CG 4.04Å; K214-A217 WeakPolarHBondContact O-CB 3.45Å
215	R	67.7	Low	72.1	Confident	100 Å²	100	45.6 Å²	45.6	38%	0.377	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-26.7	174.1	71.6	175.3	-178.4	-163.5	8.6	114.5	E193 H213 S605	E193-R215 VanDerWaalsContact CD-NH2 3.26Å; E193-R215 IonicContact OE1-NH2 2.71Å; E193-R215 PolarHBondContact OE1-NH2 2.97Å; E193-R215 IonicContact OE2-CZ 2.7Å; E193-R215 IonicContact OE2-NE 3.87Å; E193-R215 IonicContact OE2-NH2 2.71Å; E193-R215 PolarHBondContact OE2-NH2 2.86Å; H213-R215 HydrophobicContact CB-CB 4.49Å; H213-R215 HydrophobicContact CB-CG 3.6Å; H213-R215 PolarHBondContact O-N 3.2Å; R215-S605 PolarHBondContact NH1-OG 2.87Å
216	C	67.4	Low	70.9	Confident	6 Å²	6	46.5 Å²	46.5	4%	0.041	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	-23.7	-179.6	-65.6	0	0	0	0	112.2	Y190 H213 F218 K219 I220	Y190-C216 HydrophobicContact CD1-CB 3.97Å; Y190-C216 HydrophobicContact CG-CB 4.5Å; H213-C216 HydrophobicContact CB-CB 4.23Å; H213-C216 PolarHBondContact ND1-SG 3.42Å; H213-C216 PolarHBondContact O-N 2.99Å; C216-F218 VanDerWaalsContact C-N 3.25Å; C216-F218 PolarHBondContact O-N 2.96Å; C216-K219 WeakPolarHBondContact O-CA 3.5Å; C216-K219 WeakPolarHBondContact O-CB 3.17Å; C216-K219 PolarHBondContact O-N 3.02Å; C216-I220 WeakPolarHBondContact O-CG1 3.47Å; C216-I220 PolarHBondContact O-N 3.3Å
217	A	70	Confident	69.6	Low	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-38.7	-51.4	179.7	0	0	0	0	0	113.9	L177 L203 H213 K214 K219 V289 V291	L177-A217 HydrophobicContact CD1-CB 4.2Å; L203-A217 HydrophobicContact CD1-CB 3.7Å; H213-A217 PolarHBondContact O-N 3.28Å; K214-A217 WeakPolarHBondContact O-CB 3.45Å; A217-K219 VanDerWaalsContact C-N 3.31Å; A217-K219 PolarHBondContact O-N 2.92Å; A217-V289 WeakPolarHBondContact O-CB 3.08Å; A217-V289 WeakPolarHBondContact O-CG2 3.12Å; A217-V291 HydrophobicContact CB-CG2 3.84Å
218	F	62.3	Low	68.2	Low	92 Å²	92	56.3 Å²	56.3	40%	0.404	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-79.7	-5.2	-176.3	-52.8	-81.9	0	0	0	115.1	C216 V291	C216-F218 VanDerWaalsContact C-N 3.25Å; C216-F218 PolarHBondContact O-N 2.96Å; F218-V291 HydrophobicContact CD1-CG2 4.21Å; F218-V291 HydrophobicContact CE1-CB 4.29Å; F218-V291 HydrophobicContact CE1-CG2 3.59Å; F218-V291 HydrophobicContact CE2-CG2 4.22Å; F218-V291 HydrophobicContact CZ-CB 4.15Å; F218-V291 HydrophobicContact CZ-CG1 4.38Å; F218-V291 HydrophobicContact CZ-CG2 3.61Å
219	K	60.7	Low	66.4	Low	144 Å²	144	64.5 Å²	64.5	63%	0.626	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-103.4	-11.6	177.9	-62.9	-169.5	172.8	-169.5	0	113.6	Y190 C216 A217	Y190-K219 HydrophobicContact CE1-CB 3.8Å; Y190-K219 HydrophobicContact CE1-CD 4.18Å; Y190-K219 HydrophobicContact CE2-CB 4.32Å; Y190-K219 WeakPolarHBondContact CE2-O 3.21Å; Y190-K219 WeakPolarHBondContact OH-CB 3.32Å; Y190-K219 PolarHBondContact OH-O 2.97Å; C216-K219 WeakPolarHBondContact O-CA 3.5Å; C216-K219 WeakPolarHBondContact O-CB 3.17Å; C216-K219 PolarHBondContact O-N 3.02Å; A217-K219 VanDerWaalsContact C-N 3.31Å; A217-K219 PolarHBondContact O-N 2.92Å
220	I	66.1	Low	64.1	Low	10 Å²	10	74.3 Å²	74.3	5%	0.051	35%	0.354	C	S	.	.	S	Bend	trans	-74.8	131.2	179.5	-57.6	151.7	0	0	0	108.4	Y190 Y212 C216 V289	Y190-I220 HydrophobicContact CD2-CB 4.38Å; Y190-I220 HydrophobicContact CD2-CG1 3.89Å; Y190-I220 HydrophobicContact CG-CG1 4.02Å; Y212-I220 HydrophobicContact CD1-CD1 3.34Å; Y212-I220 HydrophobicContact CD1-CG1 3.85Å; Y212-I220 HydrophobicContact CD2-CD1 3.65Å; Y212-I220 HydrophobicContact CE1-CD1 3.74Å; Y212-I220 HydrophobicContact CE1-CG1 3.98Å; Y212-I220 HydrophobicContact CE1-CG2 4.31Å; Y212-I220 HydrophobicContact CE2-CD1 4.01Å; Y212-I220 HydrophobicContact CG-CD1 3.28Å; Y212-I220 HydrophobicContact CG-CG1 4.29Å; C216-I220 WeakPolarHBondContact O-CG1 3.47Å; C216-I220 PolarHBondContact O-N 3.3Å; I220-V289 HydrophobicContact CB-CG2 4.1Å
221	P	60.5	Low	61.3	Low	65 Å²	65	82.5 Å²	82.5	42%	0.422	38%	0.38	S	S	.	.			trans	-63.4	146.8	171.9	26.1	-33.2	0	0	0	111.1	H175 N223	H175-P221 PolarHBondContact CD2-O 2.94Å; P221-N223 PolarHBondContact O-N 3.48Å; P221-N223 PolarHBondContact O-OD1 3.01Å
222	N	61.3	Low	58.5	Low	19 Å²	19	89.3 Å²	89.3	10%	0.102	42%	0.416	C	S	.	.	S	Bend	trans	-79.1	64.9	175.7	-84.2	-15.2	0	0	0	111	I172 R173 P174 T287 R288 V289	I172-N222 HydrophobicContact CG2-CB 3.32Å; R173-N222 CarbonylContact C-O 3.51Å; R173-N222 WeakPolarHBondContact CA-O 3.3Å; R173-N222 PolarHBondContact N-O 3.28Å; R173-N222 CarbonylContact O-C 3.54Å; P174-N222 WeakPolarHBondContact CA-OD1 3.46Å; P174-N222 HydrophobicContact CB-CB 4.36Å; N222-T287 PolarHBondContact ND2-O 2.9Å; N222-T287 VanDerWaalsContact ND2-O 3.16Å; N222-R288 PolarHBondContact ND2-N 3.45Å; N222-R288 PolarHBondContact ND2-O 2.83Å; N222-V289 WeakPolarHBondContact OD1-CA 3.25Å; N222-V289 WeakPolarHBondContact OD1-CG2 3.41Å; N222-V289 PolarHBondContact OD1-N 2.87Å
223	N	65.9	Low	56	Low	63 Å²	63	93 Å²	93	34%	0.337	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-124.3	35.7	-179.8	67.9	-7	0	0	0	113.2	R173 P221 T225	R173-N223 PolarHBondContact O-N 2.82Å; P221-N223 PolarHBondContact O-N 3.48Å; P221-N223 PolarHBondContact O-OD1 3.01Å; N223-T225 PolarHBondContact O-N 3.02Å; N223-T225 VanDerWaalsContact O-N 3.17Å
224	C	71.6	Confident	53.7	Low	13 Å²	13	99 Å²	99	9%	0.088	48%	0.475	C	S	.	.			trans	-55.4	117.2	-175.1	177.4	0	0	0	0	113.2	R173 G226	R173-C224 VanDerWaalsContact O-CB 3.23Å; R173-C224 WeakPolarHBondContact O-CB 3.25Å; R173-C224 PolarHBondContact O-N 3.09Å; C224-G226 PolarHBondContact O-N 2.86Å
225	T	67.3	Low	51.6	Low	114 Å²	114	102.1 Å²	102.1	70%	0.699	50%	0.502	S	S	*	.			trans	-73.4	-23.1	-177.6	53.3	0	0	0	0	114.8	C208 N223 V227	C208-T225 WeakPolarHBondContact CB-OG1 3.43Å; N223-T225 PolarHBondContact O-N 3.02Å; N223-T225 VanDerWaalsContact O-N 3.17Å; T225-V227 PolarHBondContact O-N 3.34Å
226	G	61.3	Low	49.6	Very low	22 Å²	22	101.6 Å²	101.6	23%	0.227	51%	0.513	C	S	.	.			trans	-86.3	114.8	-172.8	0	0	0	0	0	113.9	G207 C224 R228	G207-G226 WeakPolarHBondContact CA-O 2.99Å; C224-G226 PolarHBondContact O-N 2.86Å; G226-R228 PolarHBondContact O-N 2.94Å
227	V	49.7	Very low	47.6	Very low	133 Å²	133	109.1 Å²	109.1	81%	0.806	55%	0.552	S	S	*	*			trans	-68.6	124.4	178.4	178.6	0	0	0	0	111.5	T225	T225-V227 PolarHBondContact O-N 3.34Å
228	R	42.4	Very low	45.9	Very low	148 Å²	148	114.8 Å²	114.8	56%	0.558	59%	0.589	S	S	*	*			trans	-113.7	107.3	160.2	-90.4	-166.6	162.8	-155.5	7.4	111.5	E206 G226 R230	E206-R228 VanDerWaalsContact CD-NH1 3.31Å; E206-R228 WeakPolarHBondContact O-CD 3.46Å; E206-R228 PolarHBondContact O-NE 3.28Å; E206-R228 IonicContact OE1-CZ 3.09Å; E206-R228 IonicContact OE1-NH1 2.67Å; E206-R228 PolarHBondContact OE1-NH1 3.03Å; E206-R228 IonicContact OE1-NH2 2.83Å; E206-R228 PolarHBondContact OE1-NH2 3.27Å; E206-R228 IonicContact OE2-NH1 3.94Å; G226-R228 PolarHBondContact O-N 2.94Å; R228-R230 PolarHBondContact O-N 3.33Å; R228-R230 VanDerWaalsContact O-N 3.08Å
229	K	37.9	Very low	44.1	Very low	199 Å²	199	113.6 Å²	113.6	87%	0.865	60%	0.602	S	S	*	*			trans	-55.4	113	163.7	-72.6	-176.4	175.5	-179.5	0	108.7	R231	K229-R231 PolarHBondContact O-N 3.49Å
230	R	32.3	Very low	42.7	Very low	238 Å²	238	112.4 Å²	112.4	90%	0.898	61%	0.609	S	S	*	*			trans	-65	107.5	168.3	-77.2	-173.8	179.8	172.4	3.1	108.2	R228 L232	R228-R230 PolarHBondContact O-N 3.33Å; R228-R230 VanDerWaalsContact O-N 3.08Å; R230-L232 VanDerWaalsContact C-N 3.26Å; R230-L232 PolarHBondContact O-N 3.43Å
231	R	28	Very low	40.7	Very low	232 Å²	232	116.4 Å²	116.4	88%	0.875	64%	0.638	S	S	*	*			trans	-73.8	81.3	172.8	-164.1	179.6	-160	-114.1	6.3	109.1	K229 S233	K229-R231 PolarHBondContact O-N 3.49Å; R231-S233 PolarHBondContact O-N 2.75Å
232	L	27.5	Very low	39	Very low	167 Å²	167	121 Å²	121	87%	0.874	66%	0.659	S	S	*	*			trans	-60.8	129.1	163.5	-69.8	172.3	0	0	0	107.8	R230	R230-L232 VanDerWaalsContact C-N 3.26Å; R230-L232 PolarHBondContact O-N 3.43Å
233	S	29.1	Very low	37.2	Very low	85 Å²	85	125.2 Å²	125.2	59%	0.594	69%	0.689	S	S	*	*			trans	-117.2	130.7	-171.8	57.6	0	0	0	0	111.7	R231	R231-S233 PolarHBondContact O-N 2.75Å
234	N	27.7	Very low	35.2	Very low	139 Å²	139	128.7 Å²	128.7	74%	0.743	71%	0.713	S	S	*	*			trans	77.3	88.7	160.2	-51.8	5	0	0	0	116.9
235	V	27.9	Very low	33.3	Very low	156 Å²	156	133.7 Å²	133.7	95%	0.945	75%	0.745	S	S	*	*				-111	147	123.1	-179	0	0	0	0	106.1
236	S	25.2	Very low	31.2	Very low	88 Å²	88	139.2 Å²	139.2	62%	0.615	75%	0.753	S	S	*	*			trans	-123.2	151.5	-162	-55.4	0	0	0	0	113.9
237	L	25.3	Very low	29.4	Very low	165 Å²	165	141.8 Å²	141.8	86%	0.864	77%	0.771	S	S	*	*			trans	79.6	149.7	162.7	-57.9	164.9	0	0	0	117.9
238	P	34.3	Very low	28.1	Very low	119 Å²	119	143.2 Å²	143.2	77%	0.773	77%	0.774	S	S	*	*			cis	-124.3	179.4	-28.7	36.5	-20.7	0	0	0	112.7
239	G	23.6	Very low	28.1	Very low	66 Å²	66	141.4 Å²	141.4	68%	0.68	78%	0.781	S	S	*	*			trans	-82.2	-173.8	167.2	0	0	0	0	0	112.9
240	P	31.6	Very low	27.6	Very low	119 Å²	119	135.9 Å²	135.9	77%	0.773	77%	0.773	S	S	*	*			cis	-135.7	170.8	22.9	41	-24.2	0	0	0	117.5
241	S	24.3	Very low	27.2	Very low	95 Å²	95	132.8 Å²	132.8	66%	0.664	77%	0.768	S	S	*	*			trans	59	130	143.6	62	0	0	0	0	123.2
242	L	25.2	Very low	27.1	Very low	162 Å²	162	127.5 Å²	127.5	85%	0.848	76%	0.758	S	S	*	*			trans	84.5	139.4	145.3	-67.7	161.4	0	0	0	121.9
243	S	24	Very low	27	Very low	106 Å²	106	125.6 Å²	125.6	74%	0.741	75%	0.753	S	S	*	*			trans	60.8	118.3	150.4	47.7	0	0	0	0	123.3
244	V	24.1	Very low	26.7	Very low	137 Å²	137	127.8 Å²	127.8	83%	0.83	76%	0.763	S	S	*	*			trans	-30.2	130.3	141.8	172.5	0	0	0	0	113.2
245	P	31.4	Very low	26.6	Very low	117 Å²	117	127 Å²	127	76%	0.76	76%	0.763	S	S	*	*				-132.7	147.8	86.1	12.7	10.9	0	0	0	113.6
246	R	23.3	Very low	26.3	Very low	231 Å²	231	125.8 Å²	125.8	87%	0.872	76%	0.755	S	S	*	*				80.4	86.3	64	-166	175.7	179.9	145.2	2.8	115.7
247	A	23.3	Very low	27.6	Very low	75 Å²	75	126.5 Å²	126.5	62%	0.62	76%	0.758	S	S	*	*			trans	63.9	118.2	134.4	0	0	0	0	0	123
248	L	21.9	Very low	27.5	Very low	163 Å²	163	125.3 Å²	125.3	85%	0.853	75%	0.752	S	S	*	*			trans	72.1	159.6	133	-65.2	174.7	0	0	0	119.6
249	P	43.3	Very low	27	Very low	111 Å²	111	127 Å²	127	72%	0.721	75%	0.75	S	S	*	*			cis	-140.1	-176.4	-28	36.1	-17.3	0	0	0	115.8
250	A	25.9	Very low	27.1	Very low	83 Å²	83	130.8 Å²	130.8	69%	0.686	75%	0.75	S	S	*	*			trans	96.4	153.4	137.9	0	0	0	0	0	121.8
251	E	24.6	Very low	26.7	Very low	172 Å²	172	132.5 Å²	132.5	80%	0.804	75%	0.748	S	S	*	*			trans	67.8	152.9	162.1	-54.1	-155.9	159.1	0	0	119.2
252	N	25.5	Very low	26.8	Very low	121 Å²	121	138.8 Å²	138.8	65%	0.647	76%	0.757	S	S	*	*			cis	-165.8	159.8	-31.3	-106.4	-29.6	0	0	0	109.6
253	T	24.7	Very low	26.6	Very low	128 Å²	128	136.2 Å²	136.2	79%	0.785	75%	0.752	S	S	*	*			trans	59.2	141.7	161.4	46.5	0	0	0	0	119.4
254	V	24.6	Very low	26.6	Very low	130 Å²	130	139.2 Å²	139.2	79%	0.788	75%	0.754	S	S	*	*			cis	109.4	142.5	16.5	172.7	0	0	0	0	113.8
255	V	23.9	Very low	26.7	Very low	123 Å²	123	142 Å²	142	75%	0.745	76%	0.759	S	S	*	*			trans	68.5	128.9	-173.6	-138.3	0	0	0	0	114
256	V	22.8	Very low	26.4	Very low	131 Å²	131	145.1 Å²	145.1	79%	0.794	76%	0.763	S	S	*	*			cis	74.5	162.7	29.1	-138.6	0	0	0	0	113.2
257	P	51.3	Low	26.6	Very low	103 Å²	103	138.9 Å²	138.9	67%	0.669	76%	0.761	S	S	*	*				-117.6	171.8	-92.3	42.4	-29.4	0	0	0	116.8
258	D	23.3	Very low	26.7	Very low	140 Å²	140	138.6 Å²	138.6	75%	0.749	77%	0.765	S	S	*	*				173.6	140.8	128.4	-96.7	1.7	0	0	0	110.2
259	E	24.4	Very low	26.8	Very low	153 Å²	153	140.9 Å²	140.9	72%	0.715	77%	0.768	S	S	*	*				61.3	122.5	72.5	-76.4	-108.8	140.6	0	0	112.4
260	Q	25.3	Very low	26	Very low	146 Å²	146	146.9 Å²	146.9	68%	0.682	78%	0.776	S	S	*	*			cis	-137.5	-174.1	4.7	-63.1	178.4	-2.9	0	0	108.6
261	Q	24.1	Very low	26	Very low	156 Å²	156	150.1 Å²	150.1	73%	0.729	78%	0.78	S	S	*	*			cis	-172.2	136.5	36.8	-160.6	168.8	70.8	0	0	113.6
262	R	25	Very low	26	Very low	227 Å²	227	148.8 Å²	148.8	86%	0.857	78%	0.778	S	S	*	*			trans	36.7	131.4	155.7	-65.9	-179.8	174.3	179.3	-1.9	120.5
263	S	22	Very low	26	Very low	108 Å²	108	148 Å²	148	76%	0.755	78%	0.782	S	S	*	*				-166.6	146.5	84.9	30.2	0	0	0	0	116.3
264	H	24.3	Very low	26.1	Very low	168 Å²	168	153.4 Å²	153.4	78%	0.778	79%	0.788	S	S	*	*			trans	21.1	113.2	157.3	-58.4	-86.1	0	0	0	121.8
265	Q	26.6	Very low	26.2	Very low	197 Å²	197	153.2 Å²	153.2	92%	0.921	79%	0.793	S	S	*	*				-161.9	154.1	92.7	-104.1	179.8	-5.9	0	0	113.1
266	E	25.1	Very low	26.4	Very low	182 Å²	182	150.9 Å²	150.9	85%	0.85	79%	0.794	S	S	*	*			trans	-94.3	174.2	-176.2	-72	164.3	115.9	0	0	111.1
267	A	26.5	Very low	26.7	Very low	100 Å²	100	152.6 Å²	152.6	83%	0.826	79%	0.786	S	S	*	*			cis	-171.4	169.9	-24.7	0	0	0	0	0	105.4
268	G	24.7	Very low	25.8	Very low	69 Å²	69	150.4 Å²	150.4	71%	0.711	77%	0.772	S	S	*	*			cis	159.4	136.3	-4.3	0	0	0	0	0	109.1
269	K	24.3	Very low	26.3	Very low	211 Å²	211	151 Å²	151	92%	0.917	77%	0.773	S	S	*	*			trans	-143.6	124.4	172.2	-73.7	-167.8	176	-175.9	0	111.5
270	R	27.3	Very low	26.9	Very low	236 Å²	236	150.5 Å²	150.5	89%	0.891	77%	0.765	S	S	*	*			trans	-90.4	132.3	159	-65.6	175	170.7	168.4	-4.5	106.3
271	I	26.6	Very low	27.3	Very low	151 Å²	151	146.5 Å²	146.5	77%	0.774	75%	0.747	S	S	*	*				46.1	121	76.5	-39.2	170.9	0	0	0	109.8
272	L	24.3	Very low	28	Very low	145 Å²	145	142.9 Å²	142.9	76%	0.759	73%	0.733	S	S	*	*			cis	-124.3	176	31.1	-62.8	147.1	0	0	0	111
273	S	24.1	Very low	28.7	Very low	105 Å²	105	137.9 Å²	137.9	73%	0.734	72%	0.717	S	S	*	*			cis	-157.5	145.8	27.1	45	0	0	0	0	115.8
274	W	26.6	Very low	29.5	Very low	240 Å²	240	138.2 Å²	138.2	91%	0.909	71%	0.708	S	S	*	*			trans	24.8	110.2	140.2	-64.6	61.9	0	0	0	120.8
275	S	28.7	Very low	30.4	Very low	126 Å²	126	135.7 Å²	135.7	88%	0.881	70%	0.697	S	S	*	*			trans	-139.7	111.8	141.5	59.6	0	0	0	0	109.1
276	G	26.4	Very low	31.3	Very low	75 Å²	75	132.3 Å²	132.3	77%	0.773	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-103.8	138.5	-164.2	0	0	0	0	0	114.8
277	R	28.8	Very low	32.3	Very low	166 Å²	166	126.9 Å²	126.9	63%	0.626	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-91.5	139.6	147.4	-74.9	-176.1	171.5	-159.8	-3.8	108.5	E285	R277-E285 IonicContact NH1-OE1 3.6Å; R277-E285 PolarHBondContact NH1-OE1 2.76Å
278	P	33.3	Very low	33.6	Very low	57 Å²	57	129 Å²	129	37%	0.37	65%	0.645	S	S	.	*	P	Polyproline II helix	trans	-72.3	142.2	176.3	30	-35.2	0	0	0	111.4	W280 M281	P278-W280 HydrophobicContact CG-CZ2 4.47Å; P278-W280 PolarHBondContact O-N 3.17Å; P278-M281 HydrophobicContact CG-CE 3.91Å; P278-M281 HydrophobicContact CG-CG 4.08Å; P278-M281 HydrophobicContact CG-SD 3.99Å; P278-M281 WeakPolarHBondContact O-CB 3.49Å; P278-M281 PolarHBondContact O-N 2.99Å
279	I	34.7	Very low	35.3	Very low	152 Å²	152	126 Å²	126	78%	0.779	61%	0.613	S	S	*	*	H	α-helix	trans	-57.9	-20.3	-171.6	-63	168.2	0	0	0	113.5	M281 K283	I279-M281 VanDerWaalsContact C-N 3.3Å; I279-M281 PolarHBondContact O-N 3.36Å; I279-K283 PolarHBondContact O-N 2.74Å
280	W	36.4	Very low	37.2	Very low	143 Å²	143	121.8 Å²	121.8	54%	0.542	60%	0.595	S	S	.	*	H	α-helix	trans	-67	-28.2	173.9	70.3	-105.8	0	0	0	113.4	P278 K283 M284	P278-W280 HydrophobicContact CG-CZ2 4.47Å; P278-W280 PolarHBondContact O-N 3.17Å; W280-K283 PolarHBondContact O-N 2.95Å; W280-M284 HydrophobicContact CE3-CE 3.78Å; W280-M284 HydrophobicContact CE3-CG 4.27Å; W280-M284 HydrophobicContact CE3-SD 3.79Å; W280-M284 HydrophobicContact CZ3-CE 3.92Å; W280-M284 HydrophobicContact CZ3-SD 3.63Å; W280-M284 PolarHBondContact O-N 2.91Å
281	M	33.1	Very low	39.3	Very low	63 Å²	63	111.5 Å²	111.5	31%	0.31	56%	0.558	S	S	.	*	H	α-helix	trans	-68.4	-47.4	178.6	-69.8	-178.3	179.6	0	0	111.4	P278 I279 K283 M284 E285	P278-M281 HydrophobicContact CG-CE 3.91Å; P278-M281 HydrophobicContact CG-CG 4.08Å; P278-M281 HydrophobicContact CG-SD 3.99Å; P278-M281 WeakPolarHBondContact O-CB 3.49Å; P278-M281 PolarHBondContact O-N 2.99Å; I279-M281 VanDerWaalsContact C-N 3.3Å; I279-M281 PolarHBondContact O-N 3.36Å; M281-K283 PolarHBondContact O-N 3.26Å; M281-M284 CarbonylContact O-C 3.02Å; M281-M284 WeakPolarHBondContact O-CA 3.44Å; M281-M284 PolarHBondContact O-N 3.15Å; M281-E285 PolarHBondContact O-N 2.68Å
282	D	39.9	Very low	41.8	Very low	80 Å²	80	105 Å²	105	43%	0.428	53%	0.526	S	S	.	.	H	α-helix	trans	-58.7	-32.4	174.3	-74	25	0	0	0	112.1	E285 K286	D282-E285 PolarHBondContact O-N 2.71Å; D282-K286 WeakPolarHBondContact O-CB 3.48Å; D282-K286 WeakPolarHBondContact O-CG 3.47Å; D282-K286 PolarHBondContact O-N 2.79Å
283	K	38.1	Very low	44.4	Very low	122 Å²	122	99.2 Å²	99.2	53%	0.53	50%	0.495	S	S	.	.	H	α-helix	trans	-72.2	-28.9	174.8	-156.8	171.2	-176.3	178.3	0	112.6	I279 W280 M281 T287	I279-K283 PolarHBondContact O-N 2.74Å; W280-K283 PolarHBondContact O-N 2.95Å; M281-K283 PolarHBondContact O-N 3.26Å; K283-T287 WeakPolarHBondContact O-CG2 3.3Å; K283-T287 PolarHBondContact O-OG1 3.13Å
284	M	39.7	Very low	47.1	Very low	114 Å²	114	95 Å²	95	56%	0.562	46%	0.464	S	S	*	.	H	α-helix	trans	-80.9	-30.1	170.8	-70	-165.8	-175.2	0	0	113.5	W280 M281 T287 R288	W280-M284 HydrophobicContact CE3-CE 3.78Å; W280-M284 HydrophobicContact CE3-CG 4.27Å; W280-M284 HydrophobicContact CE3-SD 3.79Å; W280-M284 HydrophobicContact CZ3-CE 3.92Å; W280-M284 HydrophobicContact CZ3-SD 3.63Å; W280-M284 PolarHBondContact O-N 2.91Å; M281-M284 CarbonylContact O-C 3.02Å; M281-M284 WeakPolarHBondContact O-CA 3.44Å; M281-M284 PolarHBondContact O-N 3.15Å; M284-T287 WeakPolarHBondContact CA-OG1 3.4Å; M284-T287 PolarHBondContact O-OG1 3.21Å; M284-R288 WeakPolarHBondContact O-CD 3.42Å; M284-R288 WeakPolarHBondContact O-CG 3.46Å
285	E	42.4	Very low	49.9	Very low	115 Å²	115	85.3 Å²	85.3	54%	0.537	43%	0.429	S	S	.	.	H	α-helix	trans	-72.9	-38.8	174.3	-71.1	-172.6	-170.1	0	0	111.7	R277 M281 D282 T287	R277-E285 IonicContact NH1-OE1 3.6Å; R277-E285 PolarHBondContact NH1-OE1 2.76Å; M281-E285 PolarHBondContact O-N 2.68Å; D282-E285 PolarHBondContact O-N 2.71Å; E285-T287 VanDerWaalsContact C-N 3.32Å; E285-T287 PolarHBondContact O-N 2.89Å
286	K	45.5	Very low	52.3	Low	126 Å²	126	80.8 Å²	80.8	55%	0.548	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-19.4	177.6	-73.2	178.3	178.7	-177.8	0	114.4	E168 D282	E168-K286 IonicContact OE1-NZ 2.76Å; E168-K286 PolarHBondContact OE1-NZ 2.87Å; E168-K286 VanDerWaalsContact OE1-NZ 3.1Å; D282-K286 WeakPolarHBondContact O-CB 3.48Å; D282-K286 WeakPolarHBondContact O-CG 3.47Å; D282-K286 PolarHBondContact O-N 2.79Å
287	T	46.1	Very low	55.1	Low	69 Å²	69	81.4 Å²	81.4	42%	0.423	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-2.1	-175.5	39.2	0	0	0	0	115.3	I172 N222 K283 M284 E285	I172-T287 HydrophobicContact CD1-CG2 3.76Å; N222-T287 PolarHBondContact ND2-O 2.9Å; N222-T287 VanDerWaalsContact ND2-O 3.16Å; K283-T287 WeakPolarHBondContact O-CG2 3.3Å; K283-T287 PolarHBondContact O-OG1 3.13Å; M284-T287 WeakPolarHBondContact CA-OG1 3.4Å; M284-T287 PolarHBondContact O-OG1 3.21Å; E285-T287 VanDerWaalsContact C-N 3.32Å; E285-T287 PolarHBondContact O-N 2.89Å
288	R	54	Low	57.5	Low	145 Å²	145	76.7 Å²	76.7	55%	0.547	37%	0.368	S	S	.	.	S	Bend	trans	-97.7	152.2	-178.3	-62.9	169.4	99.3	175.3	4.3	112.1	N222 M284	N222-R288 PolarHBondContact ND2-N 3.45Å; N222-R288 PolarHBondContact ND2-O 2.83Å; M284-R288 WeakPolarHBondContact O-CD 3.42Å; M284-R288 WeakPolarHBondContact O-CG 3.46Å
289	V	60.2	Low	59.8	Low	5 Å²	5	76.7 Å²	76.7	3%	0.03	37%	0.367	C	S	.	.			trans	-71.6	138.8	174.7	177.2	0	0	0	0	110.5	H175 L177 A217 I220 N222 V291	H175-V289 HydrophobicContact CB-CG1 3.99Å; H175-V289 HydrophobicContact CB-CG2 4.37Å; L177-V289 HydrophobicContact CD1-CG1 3.5Å; L177-V289 VanDerWaalsContact CD1-CG1 3.5Å; L177-V289 HydrophobicContact CG-CG1 3.69Å; A217-V289 WeakPolarHBondContact O-CB 3.08Å; A217-V289 WeakPolarHBondContact O-CG2 3.12Å; I220-V289 HydrophobicContact CB-CG2 4.1Å; N222-V289 WeakPolarHBondContact OD1-CA 3.25Å; N222-V289 WeakPolarHBondContact OD1-CG2 3.41Å; N222-V289 PolarHBondContact OD1-N 2.87Å; V289-V291 PolarHBondContact O-N 2.86Å
290	K	65.8	Low	62	Low	123 Å²	123	70.3 Å²	70.3	54%	0.535	33%	0.334	S	S	.	.	B	Isolated β-bridge	trans	-85.2	106.4	-175.5	-73.8	-163.8	176.6	-164	0	112	R340	K290-R340 CarbonylContact C-O 3.59Å; K290-R340 VanDerWaalsContact CA-O 3.31Å; K290-R340 WeakPolarHBondContact CA-O 3.44Å; K290-R340 WeakPolarHBondContact CB-O 3.26Å
291	V	71	Confident	63.9	Low	19 Å²	19	70.4 Å²	70.4	12%	0.115	35%	0.35	C	S	.	.	P	Polyproline II helix	trans	-89.3	126.3	-173.1	178.3	0	0	0	0	112.1	L203 A217 F218 V289 R340 D341 C342	L203-V291 HydrophobicContact CD1-CG1 4.46Å; A217-V291 HydrophobicContact CB-CG2 3.84Å; F218-V291 HydrophobicContact CD1-CG2 4.21Å; F218-V291 HydrophobicContact CE1-CB 4.29Å; F218-V291 HydrophobicContact CE1-CG2 3.59Å; F218-V291 HydrophobicContact CE2-CG2 4.22Å; F218-V291 HydrophobicContact CZ-CB 4.15Å; F218-V291 HydrophobicContact CZ-CG1 4.38Å; F218-V291 HydrophobicContact CZ-CG2 3.61Å; V289-V291 PolarHBondContact O-N 2.86Å; V291-R340 CarbonylContact C-O 3.58Å; V291-R340 PolarHBondContact N-O 2.88Å; V291-R340 CarbonylContact O-C 3.47Å; V291-R340 VanDerWaalsContact O-O 3.05Å; V291-D341 PolarHBondContact O-N 3.37Å; V291-C342 WeakPolarHBondContact O-CB 3.46Å; V291-C342 PolarHBondContact O-N 2.69Å
292	P	77.8	Confident	66	Low	16 Å²	16	77 Å²	77	10%	0.104	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-74.1	147.4	-179.6	32.8	-39.5	0	0	0	113.4	V179 L203 R340	V179-P292 HydrophobicContact CG2-CG 3.97Å; L203-P292 HydrophobicContact CD2-CG 4.31Å; P292-R340 HydrophobicContact CB-CG 4.36Å
293	H	79.6	Confident	68	Low	22 Å²	22	79 Å²	79	10%	0.102	39%	0.389	C	S	.	.	P	Polyproline II helix	trans	-72.3	134.9	171.6	-65.7	-82.8	0	0	0	113.1	F295 C323 C326 P339 D341 C342	H293-F295 HydrophobicContact CB-CD2 3.89Å; H293-F295 HydrophobicContact CB-CE1 4.22Å; H293-F295 HydrophobicContact CB-CE2 3.47Å; H293-F295 VanDerWaalsContact CB-CE2 3.47Å; H293-F295 HydrophobicContact CB-CG 4.43Å; H293-F295 HydrophobicContact CB-CZ 3.63Å; H293-F295 AromaticContact CD2-CZ 3.99Å; H293-F295 AromaticContact CG-CZ 3.82Å; H293-F295 PolarHBondContact O-N 3.19Å; H293-F295 VanDerWaalsContact O-N 3.16Å; H293-C323 HydrophobicContact CB-CB 4.1Å; H293-C323 PolarHBondContact ND1-SG 3.02Å; H293-C323 VanDerWaalsContact ND1-SG 3.4Å; H293-C326 PolarHBondContact CE1-SG 3.05Å; H293-C326 PolarHBondContact ND1-SG 3.28Å; H293-P339 PolarHBondContact CD2-O 2.8Å; H293-P339 VanDerWaalsContact CD2-O 3.24Å; H293-D341 IonicContact NE2-OD1 2.72Å; H293-C342 HydrophobicContact CB-CB 4.36Å; H293-C342 WeakPolarHBondContact ND1-CB 3.37Å; H293-C342 PolarHBondContact ND1-SG 2.79Å
294	T	81.4	Confident	70.3	Confident	16 Å²	16	74.7 Å²	74.7	10%	0.098	37%	0.373	C	S	.	.			trans	-84.2	79.9	170.1	-46.7	0	0	0	0	110.9	R200 K324 D325	R200-T294 VanDerWaalsContact NH1-CG2 3.3Å; T294-K324 PolarHBondContact O-N 3.04Å; T294-D325 WeakPolarHBondContact CA-OD2 3.18Å; T294-D325 WeakPolarHBondContact CB-OD2 3.22Å; T294-D325 PolarHBondContact N-OD2 2.81Å; T294-D325 PolarHBondContact OG1-OD1 3.03Å; T294-D325 PolarHBondContact OG1-OD2 3.49Å
295	F	84.3	Confident	72.6	Confident	38 Å²	38	73.7 Å²	73.7	17%	0.167	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	141.6	178.5	-70.8	-66.4	0	0	0	113.8	H293 M321 C323 F328 A335 V338	H293-F295 HydrophobicContact CB-CD2 3.89Å; H293-F295 HydrophobicContact CB-CE1 4.22Å; H293-F295 HydrophobicContact CB-CE2 3.47Å; H293-F295 VanDerWaalsContact CB-CE2 3.47Å; H293-F295 HydrophobicContact CB-CG 4.43Å; H293-F295 HydrophobicContact CB-CZ 3.63Å; H293-F295 AromaticContact CD2-CZ 3.99Å; H293-F295 AromaticContact CG-CZ 3.82Å; H293-F295 PolarHBondContact O-N 3.19Å; H293-F295 VanDerWaalsContact O-N 3.16Å; F295-M321 HydrophobicContact CB-CB 4.34Å; F295-M321 HydrophobicContact CB-CE 3.83Å; F295-M321 HydrophobicContact CB-SD 4.47Å; F295-M321 HydrophobicContact CD1-CB 4.29Å; F295-C323 HydrophobicContact CD1-CB 4.01Å; F295-C323 HydrophobicContact CE1-CB 3.85Å; F295-F328 HydrophobicContact CE1-CD1 4.1Å; F295-F328 HydrophobicContact CZ-CD1 4.15Å; F295-A335 HydrophobicContact CD2-CB 3.93Å; F295-A335 HydrophobicContact CE2-CB 4.26Å; F295-A335 HydrophobicContact CG-CB 4.22Å; F295-V338 HydrophobicContact CE2-CB 4.13Å; F295-V338 HydrophobicContact CE2-CG2 4.15Å; F295-V338 HydrophobicContact CZ-CB 3.95Å; F295-V338 HydrophobicContact CZ-CG1 4.1Å; F295-V338 HydrophobicContact CZ-CG2 3.75Å
296	A	78.9	Confident	74.9	Confident	30 Å²	30	68.2 Å²	68.2	25%	0.248	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	154.4	168.8	0	0	0	0	0	110.1	M321 Q322 K324	A296-M321 CarbonylContact O-C 3.55Å; A296-M321 WeakPolarHBondContact O-CA 3.12Å; A296-M321 WeakPolarHBondContact O-CB 3.11Å; A296-Q322 PolarHBondContact N-O 3Å; A296-Q322 PolarHBondContact O-N 2.89Å; A296-K324 HydrophobicContact CB-CG 4.11Å
297	I	85.3	Confident	77.1	Confident	89 Å²	89	66.2 Å²	66.2	46%	0.456	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	137	175.5	-61.2	176.2	0	0	0	109.2	R318 M321	I297-R318 HydrophobicContact CG2-CB 3.76Å; I297-R318 HydrophobicContact CG2-CG 3.89Å; I297-M321 HydrophobicContact CG1-CE 4.24Å; I297-M321 HydrophobicContact CG1-CG 4.31Å
298	H	80.9	Confident	79.2	Confident	66 Å²	66	67.5 Å²	67.5	31%	0.306	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	144.5	-174	-165.5	87.4	0	0	0	111.7	Y300 R318 Q319 G320 Q322	H298-Y300 HydrophobicContact CB-CE2 3.91Å; H298-Y300 AromaticContact CD2-CD1 3.76Å; H298-Y300 AromaticContact CD2-CE1 3.57Å; H298-Y300 AromaticContact CD2-CE2 3.83Å; H298-Y300 AromaticContact CD2-CZ 3.62Å; H298-Y300 WeakPolarHBondContact O-CE2 3.49Å; H298-R318 CarbonylContact O-C 3.59Å; H298-R318 WeakPolarHBondContact O-CA 3.45Å; H298-Q319 PolarHBondContact O-N 3.27Å; H298-G320 PolarHBondContact N-O 2.97Å; H298-Q322 HydrophobicContact CB-CB 3.7Å; H298-Q322 PolarHBondContact CE1-OE1 2.84Å; H298-Q322 VanDerWaalsContact CE1-OE1 3.29Å; H298-Q322 PolarHBondContact ND1-OE1 2.72Å; H298-Q322 PolarHBondContact NE2-NE2 3.34Å
299	T	81.6	Confident	80.9	Confident	57 Å²	57	62.7 Å²	62.7	35%	0.35	32%	0.322	S	S	.	.			trans	-103.8	127	173	-67.6	0	0	0	0	109.2	F317 R318	T299-F317 HydrophobicContact CG2-CD1 4.06Å; T299-R318 PolarHBondContact OG1-N 2.92Å
300	Y	80.6	Confident	82.3	Confident	18 Å²	18	69.7 Å²	69.7	7%	0.071	35%	0.352	C	S	.	.			trans	-102.5	126.3	-175.2	-61.6	-93.2	0	0	0	110.4	H298 T304 L313 Q319 M321 N329	H298-Y300 HydrophobicContact CB-CE2 3.91Å; H298-Y300 AromaticContact CD2-CD1 3.76Å; H298-Y300 AromaticContact CD2-CE1 3.57Å; H298-Y300 AromaticContact CD2-CE2 3.83Å; H298-Y300 AromaticContact CD2-CZ 3.62Å; H298-Y300 WeakPolarHBondContact O-CE2 3.49Å; Y300-T304 VanDerWaalsContact CD1-CB 3.48Å; Y300-T304 HydrophobicContact CD1-CG2 3.53Å; Y300-T304 WeakPolarHBondContact CD1-OG1 3.15Å; Y300-T304 HydrophobicContact CE1-CG2 3.67Å; Y300-T304 HydrophobicContact CG-CG2 4.34Å; Y300-L313 HydrophobicContact CD1-CD1 4.25Å; Y300-L313 HydrophobicContact CD2-CD1 3.73Å; Y300-L313 HydrophobicContact CE1-CD1 3.87Å; Y300-L313 HydrophobicContact CE2-CD1 3.33Å; Y300-L313 HydrophobicContact CG-CD1 4.17Å; Y300-Q319 HydrophobicContact CD2-CB 4.19Å; Y300-Q319 PolarHBondContact O-NE2 2.85Å; Y300-M321 PolarHBondContact OH-O 2.97Å; Y300-M321 VanDerWaalsContact OH-O 3.07Å; Y300-N329 HydrophobicContact CE1-CB 4.03Å; Y300-N329 VanDerWaalsContact CE1-OD1 3.3Å; Y300-N329 WeakPolarHBondContact CE1-OD1 2.83Å; Y300-N329 WeakPolarHBondContact OH-CB 3.02Å; Y300-N329 PolarHBondContact OH-OD1 3.34Å; Y300-N329 VanDerWaalsContact OH-OD1 3.08Å
301	T	75.4	Confident	83.4	Confident	145 Å²	145	72.4 Å²	72.4	89%	0.89	36%	0.359	S	S	*	.	S	Bend	trans	-88.1	-4.5	179.4	53.5	0	0	0	0	113.8
302	R	77.4	Confident	84.3	Confident	203 Å²	203	75.2 Å²	75.2	77%	0.766	37%	0.373	S	S	*	.	S	Bend	trans	-130.6	151.9	172.2	-69.8	-177.2	173.1	-177.5	-4	109.3	T304	R302-T304 PolarHBondContact O-N 2.83Å; R302-T304 PolarHBondContact O-OG1 2.83Å
303	P	81.7	Confident	84.7	Confident	120 Å²	120	74.9 Å²	74.9	78%	0.779	37%	0.37	S	S	*	.			trans	-55	99.9	173.9	-25.5	35.2	0	0	0	111.2	L312	P303-L312 HydrophobicContact CB-CD1 3.8Å
304	T	85.9	Confident	84.4	Confident	33 Å²	33	82.3 Å²	82.3	20%	0.202	40%	0.402	C	S	.	.			trans	-107.7	137.9	-170.9	-59.2	0	0	0	0	110.6	Y300 R302 L312 L313 N329	Y300-T304 VanDerWaalsContact CD1-CB 3.48Å; Y300-T304 HydrophobicContact CD1-CG2 3.53Å; Y300-T304 WeakPolarHBondContact CD1-OG1 3.15Å; Y300-T304 HydrophobicContact CE1-CG2 3.67Å; Y300-T304 HydrophobicContact CG-CG2 4.34Å; R302-T304 PolarHBondContact O-N 2.83Å; R302-T304 PolarHBondContact O-OG1 2.83Å; T304-L312 WeakPolarHBondContact O-CD1 3.28Å; T304-L313 HydrophobicContact CG2-CD1 4.02Å; T304-L313 WeakPolarHBondContact O-CB 3.45Å; T304-L313 VanDerWaalsContact O-CG 3.27Å; T304-L313 WeakPolarHBondContact O-CG 3.32Å; T304-L313 PolarHBondContact O-N 2.82Å; T304-N329 HydrophobicContact CG2-CB 4.34Å
305	I	89.2	Confident	83.8	Confident	92 Å²	92	84 Å²	84	47%	0.472	42%	0.422	S	S	.	.	B	Isolated β-bridge	trans	-95.6	138.6	-177	-63.6	177	0	0	0	110.4	Q307 K310 L312	I305-Q307 PolarHBondContact O-N 3Å; I305-Q307 VanDerWaalsContact O-N 3.13Å; I305-K310 WeakPolarHBondContact CG2-O 3.27Å; I305-L312 HydrophobicContact CG1-CD1 4.42Å
306	C	90.7	Very high	82.6	Confident	0 Å²	0	89.2 Å²	89.2	0%	0	45%	0.451	C	S	.	.			trans	-63.1	109.4	169.6	177.7	0	0	0	0	109.7	Y308 C309 K310 R311 L313 N329 C330 H331	C306-Y308 PolarHBondContact O-N 3.45Å; C306-Y308 VanDerWaalsContact O-N 3.09Å; C306-C309 PolarHBondContact O-N 3.01Å; C306-C309 PolarHBondContact SG-N 2.79Å; C306-C309 PolarHBondContact SG-SG 2.78Å; C306-K310 VanDerWaalsContact O-CA 3.23Å; C306-K310 WeakPolarHBondContact O-CA 3.08Å; C306-K310 PolarHBondContact O-N 2.86Å; C306-R311 VanDerWaalsContact CB-O 3.23Å; C306-R311 WeakPolarHBondContact CB-O 3.34Å; C306-R311 PolarHBondContact N-O 2.88Å; C306-L313 HydrophobicContact CB-CD2 3.75Å; C306-N329 CarbonylContact C-O 3.59Å; C306-C330 WeakPolarHBondContact SG-CA 3.3Å; C306-H331 VanDerWaalsContact CB-CE1 3.48Å; C306-H331 WeakPolarHBondContact CB-CE1 3.39Å; C306-H331 WeakPolarHBondContact CB-ND1 3.44Å; C306-H331 PolarHBondContact SG-N 3.33Å; C306-H331 VanDerWaalsContact SG-N 3.36Å
307	Q	91.4	Very high	82	Confident	84 Å²	84	95.4 Å²	95.4	39%	0.393	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-20.9	-177.1	-72.4	171.2	-84.2	0	0	112.9	I305 K310 F328 N329	I305-Q307 PolarHBondContact O-N 3Å; I305-Q307 VanDerWaalsContact O-N 3.13Å; Q307-K310 WeakPolarHBondContact O-CE 3.14Å; Q307-K310 PolarHBondContact O-NZ 3.39Å; Q307-F328 HydrophobicContact CB-CD2 4.28Å; Q307-F328 HydrophobicContact CB-CE1 4.05Å; Q307-F328 HydrophobicContact CB-CE2 3.79Å; Q307-F328 HydrophobicContact CB-CZ 3.66Å; Q307-N329 PolarHBondContact N-O 2.76Å; Q307-N329 PolarHBondContact OE1-ND2 3.34Å; Q307-N329 VanDerWaalsContact OE1-ND2 3.1Å
308	Y	90.3	Very high	81.7	Confident	97 Å²	97	100.1 Å²	100.1	38%	0.38	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-66.7	171	177.9	-99.7	0	0	0	112.9	C306 C334 K337 V338	C306-Y308 PolarHBondContact O-N 3.45Å; C306-Y308 VanDerWaalsContact O-N 3.09Å; Y308-C334 HydrophobicContact CD1-CB 3.78Å; Y308-C334 HydrophobicContact CG-CB 4.39Å; Y308-K337 HydrophobicContact CE1-CB 3.85Å; Y308-K337 HydrophobicContact CE1-CD 4.3Å; Y308-K337 HydrophobicContact CE2-CB 4.08Å; Y308-K337 WeakPolarHBondContact CE2-O 3.39Å; Y308-K337 WeakPolarHBondContact OH-CB 3.39Å; Y308-V338 HydrophobicContact CD2-CG2 4.49Å; Y308-V338 HydrophobicContact CG-CG2 4.49Å
309	C	89.6	Confident	81.6	Confident	43 Å²	43	98.1 Å²	98.1	29%	0.291	48%	0.476	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.2	4.6	-171.9	74	0	0	0	0	115.1	C306 R311 H331	C306-C309 PolarHBondContact O-N 3.01Å; C306-C309 PolarHBondContact SG-N 2.79Å; C306-C309 PolarHBondContact SG-SG 2.78Å; C309-R311 PolarHBondContact O-N 3.04Å; C309-H331 PolarHBondContact SG-CE1 3.38Å; C309-H331 PolarHBondContact SG-ND1 3.21Å
310	K	90.1	Very high	81.9	Confident	153 Å²	153	95.5 Å²	95.5	67%	0.665	46%	0.46	S	S	*	.			trans	55.1	17.7	179.6	-46.4	-56.2	-173.2	-173.7	0	115.8	I305 C306 Q307	I305-K310 WeakPolarHBondContact CG2-O 3.27Å; C306-K310 VanDerWaalsContact O-CA 3.23Å; C306-K310 WeakPolarHBondContact O-CA 3.08Å; C306-K310 PolarHBondContact O-N 2.86Å; Q307-K310 WeakPolarHBondContact O-CE 3.14Å; Q307-K310 PolarHBondContact O-NZ 3.39Å
311	R	89.3	Confident	82.3	Confident	179 Å²	179	96.1 Å²	96.1	68%	0.675	46%	0.464	S	S	*	.			trans	-103.2	148.1	174.5	-62.4	178.1	-170.2	-169.5	2.1	111.5	C306 C309 H331	C306-R311 VanDerWaalsContact CB-O 3.23Å; C306-R311 WeakPolarHBondContact CB-O 3.34Å; C306-R311 PolarHBondContact N-O 2.88Å; C309-R311 PolarHBondContact O-N 3.04Å; R311-H331 PolarHBondContact O-CE1 2.87Å
312	L	88.7	Confident	83	Confident	79 Å²	79	91.1 Å²	91.1	41%	0.414	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-55.2	139.4	179.5	-169.1	72.3	0	0	0	112.9	P303 T304 I305 K314 H331	P303-L312 HydrophobicContact CB-CD1 3.8Å; T304-L312 WeakPolarHBondContact O-CD1 3.28Å; I305-L312 HydrophobicContact CG1-CD1 4.42Å; L312-K314 PolarHBondContact O-N 2.77Å; L312-H331 PolarHBondContact O-NE2 3.17Å
313	L	87.4	Confident	83.3	Confident	8 Å²	8	81.5 Å²	81.5	4%	0.042	39%	0.394	C	S	.	.			trans	-75.3	97.5	167.7	-56.9	-179.7	0	0	0	108.3	Y300 T304 C306 Q319 H331	Y300-L313 HydrophobicContact CD1-CD1 4.25Å; Y300-L313 HydrophobicContact CD2-CD1 3.73Å; Y300-L313 HydrophobicContact CE1-CD1 3.87Å; Y300-L313 HydrophobicContact CE2-CD1 3.33Å; Y300-L313 HydrophobicContact CG-CD1 4.17Å; T304-L313 HydrophobicContact CG2-CD1 4.02Å; T304-L313 WeakPolarHBondContact O-CB 3.45Å; T304-L313 VanDerWaalsContact O-CG 3.27Å; T304-L313 WeakPolarHBondContact O-CG 3.32Å; T304-L313 PolarHBondContact O-N 2.82Å; C306-L313 HydrophobicContact CB-CD2 3.75Å; L313-Q319 HydrophobicContact CB-CB 3.78Å; L313-H331 HydrophobicContact CD2-CB 4.4Å; L313-H331 WeakPolarHBondContact CD2-CD2 3.34Å
314	K	71.9	Confident	83	Confident	178 Å²	178	82.9 Å²	82.9	77%	0.774	39%	0.388	S	S	*	.			trans	-81.2	140.3	-175.6	-66.4	-166.6	174	-165.3	0	112.2	L312	L312-K314 PolarHBondContact O-N 2.77Å
315	G	69.8	Low	82.3	Confident	51 Å²	51	84 Å²	84	53%	0.526	39%	0.393	S	S	.	.	S	Bend	trans	132.3	166.6	174.9	0	0	0	0	0	112.6	Q319	G315-Q319 VanDerWaalsContact C-CG 3.47Å; G315-Q319 WeakPolarHBondContact O-CG 3.39Å; G315-Q319 PolarHBondContact O-NE2 3.09Å
316	L	59.4	Low	81.7	Confident	148 Å²	148	80.8 Å²	80.8	78%	0.775	38%	0.379	S	S	*	.	S	Bend	trans	-85.4	-30.3	174.6	-64.5	174.8	0	0	0	112.6	Q319	L316-Q319 VanDerWaalsContact C-NE2 3.35Å; L316-Q319 PolarHBondContact O-NE2 3.01Å; L316-Q319 VanDerWaalsContact O-NE2 3.15Å
317	F	65.1	Low	81.3	Confident	160 Å²	160	86.8 Å²	86.8	70%	0.702	40%	0.401	S	S	*	.	S	Bend	trans	-140.1	156.2	-179.5	-57.7	-81.3	0	0	0	110.9	T299 Q319	T299-F317 HydrophobicContact CG2-CD1 4.06Å; F317-Q319 PolarHBondContact O-N 3.21Å; F317-Q319 VanDerWaalsContact O-N 3.09Å
318	R	78.6	Confident	81.1	Confident	188 Å²	188	85 Å²	85	71%	0.709	39%	0.392	S	S	*	.			trans	50.3	34.7	174	-64	179.8	170.5	-178.4	-5.3	114.1	I297 H298 T299 G320	I297-R318 HydrophobicContact CG2-CB 3.76Å; I297-R318 HydrophobicContact CG2-CG 3.89Å; H298-R318 CarbonylContact O-C 3.59Å; H298-R318 WeakPolarHBondContact O-CA 3.45Å; T299-R318 PolarHBondContact OG1-N 2.92Å; R318-G320 PolarHBondContact O-N 3.21Å
319	Q	80.5	Confident	81.1	Confident	24 Å²	24	81.6 Å²	81.6	11%	0.112	38%	0.38	C	S	.	.			trans	-66	-14.7	-167.8	-54.9	92.6	-29	0	0	114.8	H298 Y300 L313 G315 L316 F317	H298-Q319 PolarHBondContact O-N 3.27Å; Y300-Q319 HydrophobicContact CD2-CB 4.19Å; Y300-Q319 PolarHBondContact O-NE2 2.85Å; L313-Q319 HydrophobicContact CB-CB 3.78Å; G315-Q319 VanDerWaalsContact C-CG 3.47Å; G315-Q319 WeakPolarHBondContact O-CG 3.39Å; G315-Q319 PolarHBondContact O-NE2 3.09Å; L316-Q319 VanDerWaalsContact C-NE2 3.35Å; L316-Q319 PolarHBondContact O-NE2 3.01Å; L316-Q319 VanDerWaalsContact O-NE2 3.15Å; F317-Q319 PolarHBondContact O-N 3.21Å; F317-Q319 VanDerWaalsContact O-N 3.09Å
320	G	87	Confident	81.3	Confident	3 Å²	3	79.5 Å²	79.5	3%	0.031	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	-161.9	-179.3	0	0	0	0	0	113	H298 R318 C330	H298-G320 PolarHBondContact N-O 2.97Å; R318-G320 PolarHBondContact O-N 3.21Å; G320-C330 CarbonylContact C-O 3.54Å; G320-C330 VanDerWaalsContact CA-O 3.25Å; G320-C330 WeakPolarHBondContact CA-O 3.22Å
321	M	88.9	Confident	81.3	Confident	30 Å²	30	73.1 Å²	73.1	15%	0.148	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	144	174.7	-59.7	-175.3	83.3	0	0	109.7	F295 A296 I297 Y300 N329 C330 K332 A335	F295-M321 HydrophobicContact CB-CB 4.34Å; F295-M321 HydrophobicContact CB-CE 3.83Å; F295-M321 HydrophobicContact CB-SD 4.47Å; F295-M321 HydrophobicContact CD1-CB 4.29Å; A296-M321 CarbonylContact O-C 3.55Å; A296-M321 WeakPolarHBondContact O-CA 3.12Å; A296-M321 WeakPolarHBondContact O-CB 3.11Å; I297-M321 HydrophobicContact CG1-CE 4.24Å; I297-M321 HydrophobicContact CG1-CG 4.31Å; Y300-M321 PolarHBondContact OH-O 2.97Å; Y300-M321 VanDerWaalsContact OH-O 3.07Å; M321-N329 WeakPolarHBondContact O-CA 3.38Å; M321-C330 PolarHBondContact N-O 3.48Å; M321-C330 PolarHBondContact O-N 2.88Å; M321-K332 HydrophobicContact CG-CB 4.29Å; M321-K332 HydrophobicContact CG-CG 4.43Å; M321-K332 HydrophobicContact SD-CB 4.29Å; M321-K332 HydrophobicContact SD-CG 3.95Å; M321-A335 HydrophobicContact SD-CB 3.78Å
322	Q	89.8	Confident	81.2	Confident	41 Å²	41	71.7 Å²	71.7	19%	0.192	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	136.4	174.9	-178.2	170.3	96.1	0	0	108.3	A296 H298 K324 R327 F328 N329	A296-Q322 PolarHBondContact N-O 3Å; A296-Q322 PolarHBondContact O-N 2.89Å; H298-Q322 HydrophobicContact CB-CB 3.7Å; H298-Q322 PolarHBondContact CE1-OE1 2.84Å; H298-Q322 VanDerWaalsContact CE1-OE1 3.29Å; H298-Q322 PolarHBondContact ND1-OE1 2.72Å; H298-Q322 PolarHBondContact NE2-NE2 3.34Å; Q322-K324 PolarHBondContact O-N 2.74Å; Q322-R327 HydrophobicContact CG-CB 4.29Å; Q322-F328 CarbonylContact C-O 3.52Å; Q322-F328 WeakPolarHBondContact CA-O 3.46Å; Q322-N329 WeakPolarHBondContact CG-OD1 3.25Å; Q322-N329 PolarHBondContact NE2-OD1 2.83Å
323	C	84.3	Confident	81.1	Confident	0 Å²	0	76.6 Å²	76.6	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	126.1	169.7	174.4	0	0	0	0	109.3	H293 F295 D325 C326 R327 F328	H293-C323 HydrophobicContact CB-CB 4.1Å; H293-C323 PolarHBondContact ND1-SG 3.02Å; H293-C323 VanDerWaalsContact ND1-SG 3.4Å; F295-C323 HydrophobicContact CD1-CB 4.01Å; F295-C323 HydrophobicContact CE1-CB 3.85Å; C323-D325 PolarHBondContact O-N 3.35Å; C323-D325 PolarHBondContact SG-N 3.44Å; C323-D325 VanDerWaalsContact SG-N 3.39Å; C323-D325 PolarHBondContact SG-OD2 2.76Å; C323-C326 PolarHBondContact SG-N 2.98Å; C323-C326 VanDerWaalsContact SG-SG 3.61Å; C323-R327 WeakPolarHBondContact O-CA 3.39Å; C323-R327 PolarHBondContact O-N 3.39Å; C323-F328 HydrophobicContact CB-CB 4.02Å; C323-F328 PolarHBondContact N-O 2.85Å
324	K	75.3	Confident	81.1	Confident	149 Å²	149	76.6 Å²	76.6	65%	0.648	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-31.2	176.6	-71.8	-164.2	173	-165.4	0	112.4	T294 A296 Q322	T294-K324 PolarHBondContact O-N 3.04Å; A296-K324 HydrophobicContact CB-CG 4.11Å; Q322-K324 PolarHBondContact O-N 2.74Å
325	D	71.9	Confident	81.6	Confident	57 Å²	57	69 Å²	69	31%	0.305	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-45.7	-169.4	-31.6	-72.2	0	0	0	112.1	T294 C323	T294-D325 WeakPolarHBondContact CA-OD2 3.18Å; T294-D325 WeakPolarHBondContact CB-OD2 3.22Å; T294-D325 PolarHBondContact N-OD2 2.81Å; T294-D325 PolarHBondContact OG1-OD1 3.03Å; T294-D325 PolarHBondContact OG1-OD2 3.49Å; C323-D325 PolarHBondContact O-N 3.35Å; C323-D325 PolarHBondContact SG-N 3.44Å; C323-D325 VanDerWaalsContact SG-N 3.39Å; C323-D325 PolarHBondContact SG-OD2 2.76Å
326	C	76.4	Confident	82	Confident	25 Å²	25	71.7 Å²	71.7	17%	0.169	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	12.8	-177.8	70.2	0	0	0	0	115.3	H293 C323 F328 C342 E345	H293-C326 PolarHBondContact CE1-SG 3.05Å; H293-C326 PolarHBondContact ND1-SG 3.28Å; C323-C326 PolarHBondContact SG-N 2.98Å; C323-C326 VanDerWaalsContact SG-SG 3.61Å; C326-F328 PolarHBondContact O-N 2.89Å; C326-C342 VanDerWaalsContact SG-SG 3.66Å; C326-E345 VanDerWaalsContact CA-O 3.22Å; C326-E345 WeakPolarHBondContact CA-O 3.47Å; C326-E345 WeakPolarHBondContact CB-O 3.47Å
327	R	82.4	Confident	83	Confident	126 Å²	126	71 Å²	71	48%	0.475	32%	0.323	S	S	.	.			trans	56.2	15.5	-178.7	-56.1	-169	-175.6	-177	-1.4	116.9	Q322 C323 N329 V346	Q322-R327 HydrophobicContact CG-CB 4.29Å; C323-R327 WeakPolarHBondContact O-CA 3.39Å; C323-R327 PolarHBondContact O-N 3.39Å; R327-N329 PolarHBondContact O-N 3.35Å; R327-N329 PolarHBondContact O-ND2 3.06Å; R327-N329 PolarHBondContact O-OD1 2.93Å; R327-N329 VanDerWaalsContact O-OD1 3.13Å; R327-V346 HydrophobicContact CG-CG1 4.03Å; R327-V346 HydrophobicContact CG-CG2 4.19Å
328	F	87	Confident	83.8	Confident	45 Å²	45	64 Å²	64	20%	0.197	29%	0.294	C	S	.	.			trans	-56.5	123.1	174.4	-169.1	-81	0	0	0	111.8	F295 Q307 Q322 C323 C326 C330 V338	F295-F328 HydrophobicContact CE1-CD1 4.1Å; F295-F328 HydrophobicContact CZ-CD1 4.15Å; Q307-F328 HydrophobicContact CB-CD2 4.28Å; Q307-F328 HydrophobicContact CB-CE1 4.05Å; Q307-F328 HydrophobicContact CB-CE2 3.79Å; Q307-F328 HydrophobicContact CB-CZ 3.66Å; Q322-F328 CarbonylContact C-O 3.52Å; Q322-F328 WeakPolarHBondContact CA-O 3.46Å; C323-F328 HydrophobicContact CB-CB 4.02Å; C323-F328 PolarHBondContact N-O 2.85Å; C326-F328 PolarHBondContact O-N 2.89Å; F328-C330 HydrophobicContact CD1-CB 4.42Å; F328-C330 HydrophobicContact CE1-CB 4.14Å; F328-V338 HydrophobicContact CD1-CG1 3.99Å; F328-V338 HydrophobicContact CD1-CG2 4.26Å; F328-V338 HydrophobicContact CE1-CB 4.34Å; F328-V338 HydrophobicContact CE1-CG1 3.59Å; F328-V338 HydrophobicContact CE1-CG2 3.69Å; F328-V338 HydrophobicContact CE2-CG1 4.42Å; F328-V338 HydrophobicContact CZ-CG1 3.83Å; F328-V338 HydrophobicContact CZ-CG2 4.47Å
329	N	90.2	Very high	83.6	Confident	26 Å²	26	58.3 Å²	58.3	14%	0.139	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	126.6	-171.8	-56.4	-65.5	0	0	0	111.2	Y300 T304 C306 Q307 M321 Q322 R327	Y300-N329 HydrophobicContact CE1-CB 4.03Å; Y300-N329 VanDerWaalsContact CE1-OD1 3.3Å; Y300-N329 WeakPolarHBondContact CE1-OD1 2.83Å; Y300-N329 WeakPolarHBondContact OH-CB 3.02Å; Y300-N329 PolarHBondContact OH-OD1 3.34Å; Y300-N329 VanDerWaalsContact OH-OD1 3.08Å; T304-N329 HydrophobicContact CG2-CB 4.34Å; C306-N329 CarbonylContact C-O 3.59Å; Q307-N329 PolarHBondContact N-O 2.76Å; Q307-N329 PolarHBondContact OE1-ND2 3.34Å; Q307-N329 VanDerWaalsContact OE1-ND2 3.1Å; M321-N329 WeakPolarHBondContact O-CA 3.38Å; Q322-N329 WeakPolarHBondContact CG-OD1 3.25Å; Q322-N329 PolarHBondContact NE2-OD1 2.83Å; R327-N329 PolarHBondContact O-N 3.35Å; R327-N329 PolarHBondContact O-ND2 3.06Å; R327-N329 PolarHBondContact O-OD1 2.93Å; R327-N329 VanDerWaalsContact O-OD1 3.13Å
330	C	93.3	Very high	83.3	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	166.1	179.7	69.1	0	0	0	0	113.3	C306 G320 M321 F328 C334 V338	C306-C330 WeakPolarHBondContact SG-CA 3.3Å; G320-C330 CarbonylContact C-O 3.54Å; G320-C330 VanDerWaalsContact CA-O 3.25Å; G320-C330 WeakPolarHBondContact CA-O 3.22Å; M321-C330 PolarHBondContact N-O 3.48Å; M321-C330 PolarHBondContact O-N 2.88Å; F328-C330 HydrophobicContact CD1-CB 4.42Å; F328-C330 HydrophobicContact CE1-CB 4.14Å; C330-C334 HydrophobicContact CB-CB 4.09Å; C330-V338 HydrophobicContact CB-CG2 4.25Å
331	H	91.2	Very high	82.6	Confident	18 Å²	18	66.1 Å²	66.1	8%	0.083	32%	0.315	C	S	.	.			trans	-67.5	152.8	167.3	-59.9	107.1	0	0	0	110.2	C306 C309 R311 L312 L313 R333 C334 A335	C306-H331 VanDerWaalsContact CB-CE1 3.48Å; C306-H331 WeakPolarHBondContact CB-CE1 3.39Å; C306-H331 WeakPolarHBondContact CB-ND1 3.44Å; C306-H331 PolarHBondContact SG-N 3.33Å; C306-H331 VanDerWaalsContact SG-N 3.36Å; C309-H331 PolarHBondContact SG-CE1 3.38Å; C309-H331 PolarHBondContact SG-ND1 3.21Å; R311-H331 PolarHBondContact O-CE1 2.87Å; L312-H331 PolarHBondContact O-NE2 3.17Å; L313-H331 HydrophobicContact CD2-CB 4.4Å; L313-H331 WeakPolarHBondContact CD2-CD2 3.34Å; H331-R333 HydrophobicContact CB-CG 3.86Å; H331-R333 PolarHBondContact O-N 3.12Å; H331-R333 VanDerWaalsContact O-N 3.14Å; H331-C334 HydrophobicContact CB-CB 4.2Å; H331-C334 WeakPolarHBondContact O-CA 3.28Å; H331-C334 WeakPolarHBondContact O-CB 3.44Å; H331-C334 PolarHBondContact O-N 2.93Å; H331-A335 PolarHBondContact O-N 2.8Å
332	K	86.1	Confident	81.9	Confident	150 Å²	150	65 Å²	65	65%	0.652	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-37.6	171.8	-167.8	177.8	-177.5	-177.5	0	112.9	M321 C334	M321-K332 HydrophobicContact CG-CB 4.29Å; M321-K332 HydrophobicContact CG-CG 4.43Å; M321-K332 HydrophobicContact SD-CB 4.29Å; M321-K332 HydrophobicContact SD-CG 3.95Å; K332-C334 VanDerWaalsContact C-N 3.31Å; K332-C334 PolarHBondContact O-N 3.44Å
333	R	87.4	Confident	80.7	Confident	181 Å²	181	69 Å²	69	68%	0.683	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-6.8	174.8	67.5	175.5	175.9	-169.1	-5.2	115.8	H331	H331-R333 HydrophobicContact CB-CG 3.86Å; H331-R333 PolarHBondContact O-N 3.12Å; H331-R333 VanDerWaalsContact O-N 3.14Å
334	C	86.9	Confident	79.7	Confident	9 Å²	9	71 Å²	71	6%	0.061	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-21.9	179.9	-68.7	0	0	0	0	112.4	Y308 C330 H331 K332 S336 K337 V338	Y308-C334 HydrophobicContact CD1-CB 3.78Å; Y308-C334 HydrophobicContact CG-CB 4.39Å; C330-C334 HydrophobicContact CB-CB 4.09Å; H331-C334 HydrophobicContact CB-CB 4.2Å; H331-C334 WeakPolarHBondContact O-CA 3.28Å; H331-C334 WeakPolarHBondContact O-CB 3.44Å; H331-C334 PolarHBondContact O-N 2.93Å; K332-C334 VanDerWaalsContact C-N 3.31Å; K332-C334 PolarHBondContact O-N 3.44Å; C334-S336 VanDerWaalsContact C-N 3.29Å; C334-S336 PolarHBondContact O-N 2.84Å; C334-K337 CarbonylContact O-C 3.59Å; C334-K337 WeakPolarHBondContact O-CA 3.5Å; C334-K337 WeakPolarHBondContact O-CB 3.4Å; C334-K337 PolarHBondContact O-N 2.88Å; C334-V338 WeakPolarHBondContact O-CG2 3.45Å; C334-V338 PolarHBondContact O-N 3.03Å
335	A	82.8	Confident	78.4	Confident	17 Å²	17	70.2 Å²	70.2	14%	0.14	35%	0.351	C	S	.	.	G	3₁₀ helix	trans	-52.4	-41.7	-178	0	0	0	0	0	113.6	F295 M321 H331 K337 V338	F295-A335 HydrophobicContact CD2-CB 3.93Å; F295-A335 HydrophobicContact CE2-CB 4.26Å; F295-A335 HydrophobicContact CG-CB 4.22Å; M321-A335 HydrophobicContact SD-CB 3.78Å; H331-A335 PolarHBondContact O-N 2.8Å; A335-K337 PolarHBondContact O-N 3.15Å; A335-V338 PolarHBondContact O-N 3.39Å
336	S	76.6	Confident	76.7	Confident	109 Å²	109	70.4 Å²	70.4	76%	0.762	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-73.2	-4.8	176.5	55.1	0	0	0	0	115	C334	C334-S336 VanDerWaalsContact C-N 3.29Å; C334-S336 PolarHBondContact O-N 2.84Å
337	K	81.6	Confident	74.4	Confident	132 Å²	132	76.6 Å²	76.6	57%	0.574	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-112.8	-7.1	178.4	-53.2	-168.3	177.7	-165.7	0	113.4	Y308 C334 A335	Y308-K337 HydrophobicContact CE1-CB 3.85Å; Y308-K337 HydrophobicContact CE1-CD 4.3Å; Y308-K337 HydrophobicContact CE2-CB 4.08Å; Y308-K337 WeakPolarHBondContact CE2-O 3.39Å; Y308-K337 WeakPolarHBondContact OH-CB 3.39Å; C334-K337 CarbonylContact O-C 3.59Å; C334-K337 WeakPolarHBondContact O-CA 3.5Å; C334-K337 WeakPolarHBondContact O-CB 3.4Å; C334-K337 PolarHBondContact O-N 2.88Å; A335-K337 PolarHBondContact O-N 3.15Å
338	V	81	Confident	72	Confident	14 Å²	14	76.5 Å²	76.5	9%	0.085	39%	0.389	C	S	.	.	S	Bend	trans	-66.6	138.8	172	-171.2	0	0	0	0	108.2	F295 Y308 F328 C330 C334 A335	F295-V338 HydrophobicContact CE2-CB 4.13Å; F295-V338 HydrophobicContact CE2-CG2 4.15Å; F295-V338 HydrophobicContact CZ-CB 3.95Å; F295-V338 HydrophobicContact CZ-CG1 4.1Å; F295-V338 HydrophobicContact CZ-CG2 3.75Å; Y308-V338 HydrophobicContact CD2-CG2 4.49Å; Y308-V338 HydrophobicContact CG-CG2 4.49Å; F328-V338 HydrophobicContact CD1-CG1 3.99Å; F328-V338 HydrophobicContact CD1-CG2 4.26Å; F328-V338 HydrophobicContact CE1-CB 4.34Å; F328-V338 HydrophobicContact CE1-CG1 3.59Å; F328-V338 HydrophobicContact CE1-CG2 3.69Å; F328-V338 HydrophobicContact CE2-CG1 4.42Å; F328-V338 HydrophobicContact CZ-CG1 3.83Å; F328-V338 HydrophobicContact CZ-CG2 4.47Å; C330-V338 HydrophobicContact CB-CG2 4.25Å; C334-V338 WeakPolarHBondContact O-CG2 3.45Å; C334-V338 PolarHBondContact O-N 3.03Å; A335-V338 PolarHBondContact O-N 3.39Å
339	P	76.2	Confident	69.2	Low	69 Å²	69	82.6 Å²	82.6	45%	0.448	42%	0.423	S	S	.	.			trans	-54.4	162.2	171.6	-28	37.9	0	0	0	113.3	H293 D341	H293-P339 PolarHBondContact CD2-O 2.8Å; H293-P339 VanDerWaalsContact CD2-O 3.24Å; P339-D341 WeakPolarHBondContact CB-OD1 3.39Å; P339-D341 WeakPolarHBondContact CB-OD2 3.24Å
340	R	73.6	Confident	66.3	Low	106 Å²	106	84.6 Å²	84.6	40%	0.4	45%	0.451	S	S	.	.	S	Bend	trans	-100.5	57	177.9	-62.5	-171.4	-170.2	176.1	12.2	110.3	L177 E206 K290 V291 P292	L177-R340 PolarHBondContact O-NH1 3.42Å; E206-R340 IonicContact OE2-CZ 3.1Å; E206-R340 VanDerWaalsContact OE2-CZ 3.29Å; E206-R340 IonicContact OE2-NH1 3.26Å; E206-R340 PolarHBondContact OE2-NH1 3.42Å; E206-R340 IonicContact OE2-NH2 2.71Å; E206-R340 PolarHBondContact OE2-NH2 3.09Å; K290-R340 CarbonylContact C-O 3.59Å; K290-R340 VanDerWaalsContact CA-O 3.31Å; K290-R340 WeakPolarHBondContact CA-O 3.44Å; K290-R340 WeakPolarHBondContact CB-O 3.26Å; V291-R340 CarbonylContact C-O 3.58Å; V291-R340 PolarHBondContact N-O 2.88Å; V291-R340 CarbonylContact O-C 3.47Å; V291-R340 VanDerWaalsContact O-O 3.05Å; P292-R340 HydrophobicContact CB-CG 4.36Å
341	D	72.4	Confident	63.1	Low	85 Å²	85	92.8 Å²	92.8	46%	0.455	49%	0.489	S	S	.	.			trans	-125.4	42.3	-177.2	45.6	22.5	0	0	0	111.3	V291 H293 P339 L343	V291-D341 PolarHBondContact O-N 3.37Å; H293-D341 IonicContact NE2-OD1 2.72Å; P339-D341 WeakPolarHBondContact CB-OD1 3.39Å; P339-D341 WeakPolarHBondContact CB-OD2 3.24Å; D341-L343 PolarHBondContact O-N 2.77Å
342	C	73.2	Confident	60.4	Low	5 Å²	5	96.8 Å²	96.8	3%	0.034	52%	0.517	C	S	.	.			trans	-65.5	103	178.7	-169.9	0	0	0	0	111.2	V291 H293 C326 G344	V291-C342 WeakPolarHBondContact O-CB 3.46Å; V291-C342 PolarHBondContact O-N 2.69Å; H293-C342 HydrophobicContact CB-CB 4.36Å; H293-C342 WeakPolarHBondContact ND1-CB 3.37Å; H293-C342 PolarHBondContact ND1-SG 2.79Å; C326-C342 VanDerWaalsContact SG-SG 3.66Å; C342-G344 PolarHBondContact O-N 3.15Å
343	L	65.6	Low	57.5	Low	126 Å²	126	94.5 Å²	94.5	66%	0.66	53%	0.525	S	S	*	.			trans	-68.2	-21.5	179	-56.2	-179	0	0	0	113.2	D341 E345	D341-L343 PolarHBondContact O-N 2.77Å; L343-E345 PolarHBondContact O-N 3.11Å
344	G	62.7	Low	54.7	Low	42 Å²	42	91.4 Å²	91.4	43%	0.433	53%	0.531	S	S	.	.			trans	73.9	1.6	-175	0	0	0	0	0	114.8	C342	C342-G344 PolarHBondContact O-N 3.15Å
345	E	47.3	Very low	52.1	Low	133 Å²	133	97.1 Å²	97.1	62%	0.621	57%	0.568	S	S	*	*			trans	-89	153.4	177.7	-68.7	173.2	-178.4	0	0	111.4	C326 L343	C326-E345 VanDerWaalsContact CA-O 3.22Å; C326-E345 WeakPolarHBondContact CA-O 3.47Å; C326-E345 WeakPolarHBondContact CB-O 3.47Å; L343-E345 PolarHBondContact O-N 3.11Å
346	V	37.7	Very low	49.4	Very low	61 Å²	61	99.6 Å²	99.6	37%	0.37	60%	0.596	S	S	.	*			trans	-125.2	89.1	178.2	-176.7	0	0	0	0	108.7	R327 F348	R327-V346 HydrophobicContact CG-CG1 4.03Å; R327-V346 HydrophobicContact CG-CG2 4.19Å; V346-F348 HydrophobicContact CG1-CD2 4.25Å; V346-F348 PolarHBondContact O-N 2.78Å
347	D	28.2	Very low	48.1	Very low	155 Å²	155	100 Å²	100	83%	0.829	60%	0.596	S	S	*	*			trans	-50.7	129.6	172.6	-74.2	-52.6	0	0	0	110.9
348	F	31.5	Very low	45.4	Very low	124 Å²	124	100.8 Å²	100.8	54%	0.544	61%	0.606	S	S	.	*			trans	-132	27.3	-174.5	-132.6	-69	0	0	0	113.8	V346	V346-F348 HydrophobicContact CG1-CD2 4.25Å; V346-F348 PolarHBondContact O-N 2.78Å
349	N	27.6	Very low	42.8	Very low	172 Å²	172	104.6 Å²	104.6	92%	0.92	63%	0.634	S	S	*	*			trans	-97.2	102.5	160.5	-83.6	7.8	0	0	0	109.1
350	G	30.3	Very low	40.4	Very low	69 Å²	69	108.6 Å²	108.6	71%	0.711	65%	0.651	S	S	*	*			trans	-111.7	84.7	175.1	0	0	0	0	0	110.9
351	E	26.3	Very low	38.2	Very low	171 Å²	171	109.7 Å²	109.7	80%	0.799	67%	0.67	S	S	*	*			trans	-137.8	122.2	164.5	-90.5	-56.4	139.5	0	0	109	A353	E351-A353 PolarHBondContact O-N 3.42Å
352	P	32.8	Very low	36.1	Very low	103 Å²	103	111.1 Å²	111.1	67%	0.669	68%	0.682	S	S	*	*			trans	-80.6	106.4	172.1	31.8	-29.9	0	0	0	109.4	S354	P352-S354 PolarHBondContact O-N 3.42Å; P352-S354 PolarHBondContact O-OG 3.28Å
353	A	26.1	Very low	34	Very low	101 Å²	101	119.8 Å²	119.8	84%	0.835	72%	0.724	S	S	*	*			trans	-53.4	115.8	176	0	0	0	0	0	110.9	E351 P355	E351-A353 PolarHBondContact O-N 3.42Å; A353-P355 WeakPolarHBondContact O-CD 3.39Å
354	S	27.9	Very low	32.2	Very low	116 Å²	116	120.6 Å²	120.6	81%	0.811	73%	0.729	S	S	*	*			trans	-92.9	124.7	179.8	-63.6	0	0	0	0	110.5	P352	P352-S354 PolarHBondContact O-N 3.42Å; P352-S354 PolarHBondContact O-OG 3.28Å
355	P	33.6	Very low	30.5	Very low	129 Å²	129	126.3 Å²	126.3	84%	0.838	75%	0.747	S	S	*	*			trans	-94.9	132.2	156.2	34	-27.1	0	0	0	109.9	A353	A353-P355 WeakPolarHBondContact O-CD 3.39Å
356	G	25.5	Very low	29.8	Very low	70 Å²	70	126.8 Å²	126.8	72%	0.722	75%	0.751	S	S	*	*			trans	-138.5	-175.6	160.5	0	0	0	0	0	108.8
357	P	48.8	Very low	29.4	Very low	116 Å²	116	131.4 Å²	131.4	75%	0.753	77%	0.768	S	S	*	*			cis	-107.7	-180	-2.1	39.9	-30.2	0	0	0	112.5
358	D	24.9	Very low	29.6	Very low	149 Å²	149	129.4 Å²	129.4	80%	0.797	76%	0.761	S	S	*	*				179.3	146.7	124	-91.9	-19.6	0	0	0	113.5
359	S	26.7	Very low	29.4	Very low	95 Å²	95	130.6 Å²	130.6	66%	0.664	77%	0.774	S	S	*	*			trans	30.2	126.7	160.4	64.7	0	0	0	0	123.2
360	D	26.5	Very low	29.7	Very low	152 Å²	152	127.6 Å²	127.6	81%	0.813	77%	0.766	S	S	*	*			trans	59.2	153.3	138.8	-58.1	-20.3	0	0	0	120.6
361	T	26.4	Very low	29.6	Very low	130 Å²	130	127.9 Å²	127.9	80%	0.798	77%	0.769	S	S	*	*			cis	-143.8	172.9	17	-24.8	0	0	0	0	112.3
362	T	27.7	Very low	29.9	Very low	115 Å²	115	126.2 Å²	126.2	71%	0.706	77%	0.766	S	S	*	*			trans	-66.4	153.5	178.8	50.9	0	0	0	0	115.7
363	M	30	Very low	29.9	Very low	186 Å²	186	128.7 Å²	128.7	92%	0.916	77%	0.77	S	S	*	*				-169.1	142.4	110.7	-109.1	-175	168.7	0	0	113.7
364	D	27.2	Very low	30.2	Very low	144 Å²	144	131.1 Å²	131.1	77%	0.77	77%	0.769	S	S	*	*			trans	-85.3	156.3	176.5	-57.2	-84.8	0	0	0	113.6
365	M	28.5	Very low	30.2	Very low	162 Å²	162	128.8 Å²	128.8	80%	0.798	76%	0.763	S	S	*	*				-173.1	115.7	124	-102.1	-179.5	148.1	0	0	108.4
366	M	31	Very low	29.9	Very low	142 Å²	142	126.2 Å²	126.2	70%	0.7	76%	0.76	S	S	*	*				71.8	133.4	92.6	-73.7	179.7	175.2	0	0	114.5
367	E	30.7	Very low	30.1	Very low	158 Å²	158	134.7 Å²	134.7	74%	0.738	77%	0.771	S	S	*	*			cis	-165.7	170.5	-12.8	-126	-176.8	172.6	0	0	110.2
368	V	31.4	Very low	29.2	Very low	114 Å²	114	134 Å²	134	69%	0.691	77%	0.768	S	S	*	*			trans	34	121.4	151	177.5	0	0	0	0	119.3
369	D	28	Very low	29.5	Very low	149 Å²	149	133.7 Å²	133.7	80%	0.797	77%	0.766	S	S	*	*			cis	85.5	158.8	37.7	-162.3	32	0	0	0	115.7
370	S	33.8	Very low	29.7	Very low	108 Å²	108	136.3 Å²	136.3	76%	0.755	77%	0.773	S	S	*	*			trans	81.4	134.7	-162.2	-36.6	0	0	0	0	113.3
371	G	29	Very low	29.9	Very low	76 Å²	76	136.3 Å²	136.3	78%	0.784	77%	0.773	S	S	*	*			cis	115.9	147.4	13.1	0	0	0	0	0	110.1
372	D	31.3	Very low	31	Very low	136 Å²	136	134.6 Å²	134.6	73%	0.727	76%	0.763	S	S	*	*			cis	-166.3	172.3	-8.1	-169.4	9	0	0	0	107.9
373	M	33.5	Very low	31.1	Very low	155 Å²	155	136.5 Å²	136.5	76%	0.764	77%	0.769	S	S	*	*			trans	64	167.3	171.4	-59.6	-67.9	136.7	0	0	116.8
374	D	31.1	Very low	31.1	Very low	152 Å²	152	136 Å²	136	81%	0.813	77%	0.765	S	S	*	*			cis	-161.5	131.5	-34.7	176.3	40.9	0	0	0	104.4
375	G	28	Very low	31.6	Very low	66 Å²	66	134.1 Å²	134.1	68%	0.68	76%	0.76	S	S	*	*				119.5	152.4	83.2	0	0	0	0	0	111.3
376	G	28.1	Very low	31.4	Very low	76 Å²	76	130.9 Å²	130.9	78%	0.784	75%	0.754	S	S	*	*			trans	112	114.3	160.6	0	0	0	0	0	120.7
377	R	30.4	Very low	31.2	Very low	248 Å²	248	130.2 Å²	130.2	94%	0.936	76%	0.758	S	S	*	*			trans	-12.4	157.5	140.5	-49.9	167	-174.6	164.7	0.9	117
378	S	28.2	Very low	31.7	Very low	101 Å²	101	127.7 Å²	127.7	71%	0.706	76%	0.755	S	S	*	*			cis	-163.8	176.2	15.9	-144.3	0	0	0	0	112.7
379	L	33	Very low	31.5	Very low	143 Å²	143	130 Å²	130	75%	0.749	76%	0.764	S	S	*	*			trans	9.5	134.8	145.4	-64.2	168.7	0	0	0	118.7
380	D	30.1	Very low	31.5	Very low	150 Å²	150	126.9 Å²	126.9	80%	0.802	77%	0.767	S	S	*	*				-173.7	172.1	62.3	-95	-46.8	0	0	0	112.9
381	D	31.3	Very low	31.2	Very low	152 Å²	152	129.5 Å²	129.5	81%	0.813	77%	0.769	S	S	*	*			trans	-95.5	179.3	166.7	-134.1	5.9	0	0	0	109
382	P	49.7	Very low	31	Very low	93 Å²	93	135.7 Å²	135.7	60%	0.604	77%	0.774	S	S	*	*			cis	-142.6	-157.4	12	38.6	-13.7	0	0	0	115.8
383	D	28.7	Very low	30.7	Very low	155 Å²	155	133.6 Å²	133.6	83%	0.829	77%	0.77	S	S	*	*			trans	96.3	125.8	152.2	-66.1	-25.9	0	0	0	121.9
384	E	30.8	Very low	30.5	Very low	177 Å²	177	133.4 Å²	133.4	83%	0.827	77%	0.769	S	S	*	*			trans	-82.1	173.1	161.1	-117.6	-160.3	166.2	0	0	109.9
385	P	37.6	Very low	30.1	Very low	103 Å²	103	132.8 Å²	132.8	67%	0.669	77%	0.766	S	S	*	*			cis	-151.9	173.7	40.2	40.9	-18.5	0	0	0	119.8
386	S	24.4	Very low	30.2	Very low	95 Å²	95	134.4 Å²	134.4	66%	0.664	77%	0.767	S	S	*	*			trans	72.9	127.6	143	61	0	0	0	0	123.5
387	T	26.8	Very low	30.9	Very low	128 Å²	128	136.2 Å²	136.2	79%	0.785	77%	0.765	S	S	*	*			trans	-30.1	165.1	151.6	52.5	0	0	0	0	118.2
388	P	40.9	Very low	30.7	Very low	105 Å²	105	133.5 Å²	133.5	68%	0.682	76%	0.76	S	S	*	*			cis	-152.7	-166.6	37	45.2	-23.3	0	0	0	119.8
389	D	26.9	Very low	30.6	Very low	163 Å²	163	135.1 Å²	135.1	87%	0.872	77%	0.766	S	S	*	*			trans	92.1	139.6	151.8	-73	-20.4	0	0	0	123.3
390	G	28.1	Very low	30.3	Very low	83 Å²	83	134.3 Å²	134.3	86%	0.856	76%	0.763	S	S	*	*			trans	152.7	74.1	179.1	0	0	0	0	0	114
391	M	26.4	Very low	30.1	Very low	163 Å²	163	136.1 Å²	136.1	80%	0.803	76%	0.758	S	S	*	*			trans	-137.4	128.8	-173.2	179.4	-177.7	71.3	0	0	114.5
392	F	25	Very low	29.9	Very low	205 Å²	205	134.6 Å²	134.6	90%	0.899	75%	0.746	S	S	*	*			trans	-166	131.4	156.6	-83.9	-71.5	0	0	0	106.1
393	S	26.3	Very low	28.9	Very low	92 Å²	92	137.2 Å²	137.2	64%	0.643	75%	0.748	S	S	*	*			cis	72.9	133.5	29.1	-142	0	0	0	0	113.9
394	M	28.1	Very low	28.9	Very low	151 Å²	151	135.9 Å²	135.9	74%	0.744	74%	0.741	S	S	*	*			cis	-144.2	-179.3	-3	-137.3	158	66	0	0	107.9
395	D	24	Very low	28.6	Very low	140 Å²	140	136.7 Å²	136.7	75%	0.749	75%	0.745	S	S	*	*				177.4	173.7	66.5	-117	-42.1	0	0	0	112.6
396	S	29.9	Very low	28.1	Very low	100 Å²	100	140 Å²	140	70%	0.699	75%	0.751	S	S	*	*			trans	-156.1	149.2	173.9	177.9	0	0	0	0	111.3
397	P	42.3	Very low	28.9	Very low	113 Å²	113	140 Å²	140	73%	0.734	75%	0.749	S	S	*	*				-153.6	163.9	119	36.3	-17.7	0	0	0	118.7
398	F	25.8	Very low	28.9	Very low	191 Å²	191	140.1 Å²	140.1	84%	0.838	74%	0.743	S	S	*	*			trans	-7.3	148.8	150.7	-58.5	-96.7	0	0	0	119.4
399	T	26.9	Very low	28.1	Very low	136 Å²	136	143 Å²	143	83%	0.834	75%	0.745	S	S	*	*				-170.2	170.4	67.2	45	0	0	0	0	111.7
400	D	25.8	Very low	27.9	Very low	125 Å²	125	141.2 Å²	141.2	67%	0.668	74%	0.741	S	S	*	*			cis	179.7	174.9	-19.9	-179.4	30.3	0	0	0	108.7
401	R	26.3	Very low	27.8	Very low	189 Å²	189	145.1 Å²	145.1	71%	0.713	74%	0.74	S	S	*	*			trans	77.9	121.5	164.2	-63.6	-155.3	136.2	110.5	9.3	120.1
402	E	27.7	Very low	28	Very low	119 Å²	119	142.4 Å²	142.4	56%	0.556	74%	0.737	S	S	*	*				80.9	136.9	66.9	-71.9	-169.5	113.2	0	0	112.9
403	K	28.9	Very low	28.6	Very low	148 Å²	148	138.3 Å²	138.3	64%	0.643	73%	0.731	S	S	*	*			cis	-166.6	164.5	9	-125.9	-179.2	165.3	131.2	0	114.4
404	D	27.4	Very low	28.4	Very low	127 Å²	127	138.9 Å²	138.9	68%	0.679	74%	0.735	S	S	*	*			trans	43.3	150.6	147.3	-53	-20.9	0	0	0	121.3
405	E	25.1	Very low	28.3	Very low	195 Å²	195	138.1 Å²	138.1	91%	0.911	74%	0.739	S	S	*	*			cis	-138	165.3	31.6	-66.9	-172.1	124.1	0	0	116.1
406	E	28	Very low	28.7	Very low	171 Å²	171	136.6 Å²	136.6	80%	0.799	74%	0.74	S	S	*	*			trans	-125.2	171.4	160.1	-124.7	-141	-147.5	0	0	107.2
407	P	40.7	Very low	28.5	Very low	96 Å²	96	137.3 Å²	137.3	62%	0.623	74%	0.744	S	S	*	*			cis	-157.6	-164.5	42.6	44.7	-21.5	0	0	0	118.5
408	I	26.3	Very low	27.9	Very low	130 Å²	130	136.5 Å²	136.5	67%	0.667	73%	0.734	S	S	*	*			trans	74.1	130.2	153.1	-75.4	172.8	0	0	0	116
409	K	24.7	Very low	28.3	Very low	165 Å²	165	134.5 Å²	134.5	72%	0.717	73%	0.731	S	S	*	*			cis	-167.9	147.6	6.2	-122.1	179.1	-160.9	163.9	0	112
410	T	22.9	Very low	28.3	Very low	127 Å²	127	132.3 Å²	132.3	78%	0.779	72%	0.718	S	S	*	*			trans	59.6	148.6	146	52.7	0	0	0	0	121.3
411	I	25.2	Very low	28.5	Very low	165 Å²	165	129.1 Å²	129.1	85%	0.846	70%	0.701	S	S	*	*			cis	-140.4	150.2	-0.9	-37.2	165.6	0	0	0	109.3
412	S	30	Very low	28.6	Very low	106 Å²	106	127.3 Å²	127.3	74%	0.741	70%	0.703	S	S	*	*			trans	-85	-169.4	162.2	-43.5	0	0	0	0	111.2
413	P	37.5	Very low	28.8	Very low	118 Å²	118	125.1 Å²	125.1	77%	0.766	69%	0.689	S	S	*	*			cis	-137.8	178.1	-4.4	44.1	-27.5	0	0	0	115.8
414	S	22.6	Very low	28.6	Very low	105 Å²	105	122.8 Å²	122.8	73%	0.734	69%	0.687	S	S	*	*			trans	-166.1	96.1	146.5	44.5	0	0	0	0	111.8
415	T	26.5	Very low	28.5	Very low	135 Å²	135	121.8 Å²	121.8	83%	0.828	69%	0.685	S	S	*	*				79.6	125.7	106.7	54	0	0	0	0	116.9
416	S	32.7	Very low	28.6	Very low	108 Å²	108	119.5 Å²	119.5	76%	0.755	68%	0.675	S	S	*	*			trans	-67.8	154	169.3	47.7	0	0	0	0	113
417	S	25.9	Very low	28.5	Very low	114 Å²	114	114.6 Å²	114.6	80%	0.797	66%	0.659	S	S	*	*			trans	-124.5	85.9	170.9	43.1	0	0	0	0	110.5	I419	S417-I419 PolarHBondContact O-N 3.19Å
418	N	29.3	Very low	28.2	Very low	97 Å²	97	118.2 Å²	118.2	52%	0.519	67%	0.672	S	S	.	*			trans	-54.4	132.2	159.1	-62.6	-52	0	0	0	107.8	P420	N418-P420 WeakPolarHBondContact O-CD 3.34Å; N418-P420 VanDerWaalsContact O-N 3.16Å
419	I	34.3	Very low	28.2	Very low	149 Å²	149	120.4 Å²	120.4	76%	0.764	68%	0.676	S	S	*	*			trans	-68	112.1	-179.7	-59.8	176.2	0	0	0	108.4	S417	S417-I419 PolarHBondContact O-N 3.19Å
420	P	26	Very low	28.5	Very low	89 Å²	89	121.1 Å²	121.1	58%	0.578	68%	0.682	S	S	*	*			trans	-79.9	140	178.6	-6	25.4	0	0	0	109.1	N418 M422	N418-P420 WeakPolarHBondContact O-CD 3.34Å; N418-P420 VanDerWaalsContact O-N 3.16Å; P420-M422 HydrophobicContact CB-CG 3.97Å; P420-M422 HydrophobicContact CB-SD 4.17Å; P420-M422 PolarHBondContact O-N 3.08Å
421	L	30.7	Very low	28.7	Very low	59 Å²	59	121.5 Å²	121.5	31%	0.309	68%	0.684	S	S	.	*			trans	-79.1	46.9	173.7	-66.8	146.5	0	0	0	111.4	R423 S690 G793 T794	L421-R423 PolarHBondContact O-N 2.87Å; L421-S690 PolarHBondContact O-OG 2.68Å; L421-G793 VanDerWaalsContact CD1-O 3.27Å; L421-G793 WeakPolarHBondContact CD1-O 3.47Å; L421-G793 VanDerWaalsContact CD2-O 3.27Å; L421-G793 WeakPolarHBondContact CD2-O 3.41Å; L421-T794 HydrophobicContact CD1-CG2 3.95Å; L421-T794 HydrophobicContact CG-CG2 4.36Å
422	M	27.2	Very low	28.7	Very low	150 Å²	150	123.1 Å²	123.1	74%	0.739	69%	0.685	S	S	*	*			trans	-73	69.1	175.2	-76	175.8	67.6	0	0	110.6	P420	P420-M422 HydrophobicContact CB-CG 3.97Å; P420-M422 HydrophobicContact CB-SD 4.17Å; P420-M422 PolarHBondContact O-N 3.08Å
423	R	32.1	Very low	28.7	Very low	73 Å²	73	129 Å²	129	28%	0.275	69%	0.691	S	S	.	*			trans	-62.4	132.6	146.3	-171	170.6	-106.7	174.6	-1.8	106.2	P185 M194 L421 V425	P185-R423 HydrophobicContact CG-CB 4.46Å; P185-R423 HydrophobicContact CG-CG 4.22Å; M194-R423 HydrophobicContact SD-CG 4.42Å; L421-R423 PolarHBondContact O-N 2.87Å; R423-V425 PolarHBondContact O-N 3.48Å
424	V	26.2	Very low	28.6	Very low	100 Å²	100	134.7 Å²	134.7	61%	0.606	70%	0.697	S	S	*	*			trans	-63.9	106.9	175.1	174	0	0	0	0	106.3	P185 Q426	P185-V424 HydrophobicContact CG-CG2 4.28Å; V424-Q426 PolarHBondContact O-N 2.7Å
425	V	24.7	Very low	29.5	Very low	105 Å²	105	135 Å²	135	64%	0.636	70%	0.699	S	S	*	*			trans	-57.1	110.4	167.8	179.5	0	0	0	0	105.9	R423 S427	R423-V425 PolarHBondContact O-N 3.48Å; V425-S427 PolarHBondContact O-N 3.03Å
426	Q	26.9	Very low	30.9	Very low	148 Å²	148	130.6 Å²	130.6	69%	0.692	67%	0.674	S	S	*	*			trans	-66	94.6	162.9	-75.4	-165.5	-3.5	0	0	105.7	V424 I428	V424-Q426 PolarHBondContact O-N 2.7Å; Q426-I428 PolarHBondContact O-N 3.3Å
427	S	25.8	Very low	32.6	Very low	68 Å²	68	130.7 Å²	130.7	48%	0.476	67%	0.67	S	S	.	*			trans	-47.1	132.5	174.5	58.8	0	0	0	0	108.5	V425 K429	V425-S427 PolarHBondContact O-N 3.03Å; S427-K429 PolarHBondContact O-N 3.16Å
428	I	33.8	Very low	35.1	Very low	172 Å²	172	128.6 Å²	128.6	88%	0.882	65%	0.653	S	S	*	*			trans	-72.7	57.7	173.2	-47.4	178	0	0	0	109.1	Q426 H430	Q426-I428 PolarHBondContact O-N 3.3Å; I428-H430 PolarHBondContact O-N 2.74Å; I428-H430 VanDerWaalsContact O-N 3.13Å
429	K	27	Very low	37.6	Very low	175 Å²	175	127.7 Å²	127.7	76%	0.761	65%	0.65	S	S	*	*			trans	-67.9	103.8	158	-76.7	177.4	179.7	177.4	0	104.9	S427 T431	S427-K429 PolarHBondContact O-N 3.16Å; K429-T431 PolarHBondContact O-N 2.94Å; K429-T431 VanDerWaalsContact O-N 3.12Å
430	H	30.8	Very low	40.1	Very low	181 Å²	181	123.7 Å²	123.7	84%	0.838	63%	0.627	S	S	*	*			trans	-16.3	110.6	174.3	-80.7	-94.9	0	0	0	112	I428 K432	I428-H430 PolarHBondContact O-N 2.74Å; I428-H430 VanDerWaalsContact O-N 3.13Å; H430-K432 VanDerWaalsContact C-N 3.33Å; H430-K432 PolarHBondContact O-N 2.88Å
431	T	27.5	Very low	43.2	Very low	134 Å²	134	123.6 Å²	123.6	82%	0.822	62%	0.619	S	S	*	*			trans	-59.3	101.5	171.7	41.4	0	0	0	0	107.4	K429 R433	K429-T431 PolarHBondContact O-N 2.94Å; K429-T431 VanDerWaalsContact O-N 3.12Å; T431-R433 PolarHBondContact O-N 2.76Å
432	K	25	Very low	46	Very low	199 Å²	199	121.5 Å²	121.5	87%	0.865	61%	0.612	S	S	*	*			trans	-48.8	114.1	159.6	-90.9	-170	173.2	-175.8	0	104.5	H430 R434	H430-K432 VanDerWaalsContact C-N 3.33Å; H430-K432 PolarHBondContact O-N 2.88Å; K432-R434 PolarHBondContact O-N 2.77Å
433	R	30.5	Very low	48.9	Very low	229 Å²	229	117 Å²	117	86%	0.864	59%	0.587	S	S	*	*			trans	-42.1	113.3	-172	-72.3	-177.2	175.8	-168.1	-1.7	107.8	T431 S435	T431-R433 PolarHBondContact O-N 2.76Å; R433-S435 PolarHBondContact O-N 2.58Å
434	R	35.8	Very low	51.6	Low	239 Å²	239	113.5 Å²	113.5	90%	0.902	57%	0.574	S	S	*	*			trans	-55.5	121.4	167.1	-90.6	-174.6	169.8	-179.8	-3.1	104.6	K432 S436	K432-R434 PolarHBondContact O-N 2.77Å; R434-S436 PolarHBondContact O-N 3.41Å
435	S	40.7	Very low	54.5	Low	110 Å²	110	109.4 Å²	109.4	77%	0.769	55%	0.549	S	S	*	.			trans	-56.3	114.7	169.3	48	0	0	0	0	106.7	R433 T437	R433-S435 PolarHBondContact O-N 2.58Å; S435-T437 PolarHBondContact O-N 3.12Å
436	S	56.9	Low	57.7	Low	43 Å²	43	104.5 Å²	104.5	30%	0.301	52%	0.519	S	S	.	.			trans	-48.6	134.5	168.2	37.3	0	0	0	0	108.5	R434 V438 D462	R434-S436 PolarHBondContact O-N 3.41Å; S436-V438 PolarHBondContact O-N 2.93Å; S436-V438 VanDerWaalsContact O-N 3.12Å; S436-D462 WeakPolarHBondContact CB-OD2 3.37Å; S436-D462 PolarHBondContact OG-OD2 2.91Å
437	T	68.1	Low	60.6	Low	111 Å²	111	98 Å²	98	68%	0.681	49%	0.488	S	S	*	.			trans	-66.7	115.8	-178.9	46.5	0	0	0	0	108.8	S435 V439	S435-T437 PolarHBondContact O-N 3.12Å; T437-V439 PolarHBondContact O-N 3.14Å; T437-V439 VanDerWaalsContact O-N 3.17Å
438	V	76.8	Confident	63.7	Low	70 Å²	70	95.3 Å²	95.3	42%	0.424	47%	0.469	S	S	.	.			trans	-60.7	118.7	178.3	177.1	0	0	0	0	109	S436 E441 R460 L461	S436-V438 PolarHBondContact O-N 2.93Å; S436-V438 VanDerWaalsContact O-N 3.12Å; V438-E441 HydrophobicContact CG1-CB 4Å; V438-E441 HydrophobicContact CG1-CG 4.07Å; V438-R460 HydrophobicContact CB-CG 4.49Å; V438-R460 HydrophobicContact CG1-CG 3.9Å; V438-R460 HydrophobicContact CG2-CG 3.79Å; V438-L461 CarbonylContact C-O 3.6Å
439	V	81.9	Confident	66.2	Low	77 Å²	77	90.2 Å²	90.2	47%	0.467	45%	0.449	S	S	.	.	S	Bend	trans	-80.7	-38.7	178.8	176.7	0	0	0	0	110	T437 L461	T437-V439 PolarHBondContact O-N 3.14Å; T437-V439 VanDerWaalsContact O-N 3.17Å; V439-L461 HydrophobicContact CB-CD2 4.34Å; V439-L461 HydrophobicContact CB-CG 4.22Å; V439-L461 HydrophobicContact CG1-CD2 4.2Å; V439-L461 PolarHBondContact N-O 3.17Å
440	K	87.4	Confident	69.1	Low	66 Å²	66	90.6 Å²	90.6	29%	0.287	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	141.5	176.8	-171.2	175.3	176.1	71	0	110.3	L461 G543 W544 A547	K440-L461 HydrophobicContact CB-CB 4.46Å; K440-L461 PolarHBondContact N-O 2.89Å; K440-L461 PolarHBondContact O-N 2.84Å; K440-G543 VanDerWaalsContact CE-O 3.32Å; K440-G543 WeakPolarHBondContact CE-O 3.43Å; K440-W544 HydrophobicContact CB-CH2 4.24Å; K440-W544 HydrophobicContact CB-CZ3 4.14Å; K440-W544 HydrophobicContact CD-CD2 3.66Å; K440-W544 HydrophobicContact CD-CE3 3.76Å; K440-W544 HydrophobicContact CD-CG 4.14Å; K440-W544 HydrophobicContact CD-CH2 4.34Å; K440-W544 HydrophobicContact CD-CZ2 4.26Å; K440-W544 HydrophobicContact CD-CZ3 4.11Å; K440-W544 VanDerWaalsContact CE-CD2 3.44Å; K440-W544 VanDerWaalsContact CE-CE2 3.48Å; K440-W544 HydrophobicContact CG-CD2 4.3Å; K440-W544 HydrophobicContact CG-CE3 4.25Å; K440-W544 HydrophobicContact CG-CH2 3.94Å; K440-W544 HydrophobicContact CG-CZ2 4Å; K440-W544 HydrophobicContact CG-CZ3 4.07Å; K440-A547 HydrophobicContact CB-CB 4.29Å; K440-A547 HydrophobicContact CD-CB 3.55Å
441	E	91.4	Very high	71.7	Confident	86 Å²	86	84.3 Å²	84.3	40%	0.402	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	163.1	167.5	60.8	176.8	-154.5	0	0	112.4	V438 Y458 W459 R460	V438-E441 HydrophobicContact CG1-CB 4Å; V438-E441 HydrophobicContact CG1-CG 4.07Å; E441-Y458 HydrophobicContact CB-CE1 3.87Å; E441-Y458 VanDerWaalsContact CD-OH 3.27Å; E441-Y458 HydrophobicContact CG-CE1 4.28Å; E441-Y458 WeakPolarHBondContact CG-OH 3.28Å; E441-Y458 PolarHBondContact OE1-OH 2.8Å; E441-W459 CarbonylContact C-O 3.04Å; E441-W459 WeakPolarHBondContact CA-O 3.26Å; E441-W459 WeakPolarHBondContact CB-O 3.36Å; E441-R460 HydrophobicContact CB-CB 4.29Å; E441-R460 HydrophobicContact CB-CG 4.43Å; E441-R460 IonicContact OE1-NH2 3.24Å; E441-R460 IonicContact OE2-CZ 2.8Å; E441-R460 IonicContact OE2-NE 3.64Å; E441-R460 PolarHBondContact OE2-NE 2.93Å; E441-R460 IonicContact OE2-NH2 3.87Å; E441-R460 PolarHBondContact OE2-NH2 3.31Å
442	G	89.3	Confident	74.3	Confident	16 Å²	16	81.6 Å²	81.6	17%	0.165	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	148.3	167.7	-176.3	0	0	0	0	0	113.2	W459	G442-W459 PolarHBondContact N-O 3.44Å; G442-W459 PolarHBondContact O-N 3.13Å
443	W	87.3	Confident	77.1	Confident	54 Å²	54	77.9 Å²	77.9	21%	0.205	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	142.6	177.4	-70	101.3	0	0	0	112.4	R456 Y458 G535	W443-R456 VanDerWaalsContact CB-NH2 3.33Å; W443-R456 VanDerWaalsContact CD2-CZ 3.48Å; W443-R456 HydrophobicContact CE3-CG 3.91Å; W443-R456 VanDerWaalsContact CG-CZ 3.5Å; W443-R456 HydrophobicContact CZ3-CG 4.42Å; W443-Y458 AromaticContact CD1-CD2 3.82Å; W443-Y458 AromaticContact CD2-CD2 3.89Å; W443-Y458 HydrophobicContact CD2-CD2 3.89Å; W443-Y458 AromaticContact CE2-CD2 3.77Å; W443-Y458 AromaticContact CG-CD2 3.94Å; W443-Y458 HydrophobicContact CG-CD2 3.94Å; W443-Y458 HydrophobicContact CZ2-CD2 4.38Å; W443-Y458 AromaticContact NE1-CD2 3.68Å; W443-G535 WeakPolarHBondContact O-CA 3.48Å
444	M	89.3	Confident	79.6	Confident	1 Å²	1	72.5 Å²	72.5	1%	0.005	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	149	169.8	-76.9	-58.8	-72	0	0	111.9	R456 H457 W459 F507 V518 V540 A541 W544	M444-R456 WeakPolarHBondContact O-CA 3.44Å; M444-H457 PolarHBondContact N-O 3.11Å; M444-H457 PolarHBondContact O-N 3.28Å; M444-W459 HydrophobicContact CB-CD2 3.64Å; M444-W459 HydrophobicContact CB-CE3 4.09Å; M444-W459 HydrophobicContact CB-CG 3.83Å; M444-W459 HydrophobicContact CB-CZ2 4.36Å; M444-W459 HydrophobicContact CG-CD2 3.93Å; M444-W459 HydrophobicContact CG-CE3 3.95Å; M444-W459 HydrophobicContact CG-CG 4.17Å; M444-F507 HydrophobicContact CE-CE1 4.41Å; M444-V518 HydrophobicContact CE-CG1 3.51Å; M444-V540 HydrophobicContact SD-CG1 3.92Å; M444-A541 HydrophobicContact CE-CB 4.39Å; M444-W544 HydrophobicContact CE-CG 4.43Å; M444-W544 HydrophobicContact CG-CD2 4.14Å; M444-W544 HydrophobicContact CG-CG 4.06Å; M444-W544 HydrophobicContact CG-CZ2 4.39Å; M444-W544 HydrophobicContact SD-CG 4Å; M444-W544 PolarHBondContact SD-NE1 3.44Å
445	V	88.4	Confident	82.1	Confident	14 Å²	14	63.2 Å²	63.2	9%	0.085	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.6	169.7	-177.1	0	0	0	0	109.5	R454 K455 R456 G519 E520 V536	V445-R454 HydrophobicContact CG1-CB 4.4Å; V445-K455 WeakPolarHBondContact CA-O 3.43Å; V445-R456 HydrophobicContact CG2-CB 4.31Å; V445-R456 HydrophobicContact CG2-CG 4.2Å; V445-G519 PolarHBondContact O-N 3.33Å; V445-E520 HydrophobicContact CB-CG 4.48Å; V445-E520 HydrophobicContact CG1-CG 4.28Å; V445-V536 HydrophobicContact CG2-CG2 4.16Å
446	H	89.9	Confident	84.4	Confident	2 Å²	2	63.2 Å²	63.2	1%	0.009	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	162.9	173.7	70.9	105.3	0	0	0	112.3	K455 H457 W459 L468 Y516 Y517	H446-K455 PolarHBondContact CD2-O 2.87Å; H446-K455 PolarHBondContact N-O 3.03Å; H446-K455 PolarHBondContact O-N 3.04Å; H446-H457 AromaticContact CD2-ND1 3.97Å; H446-H457 AromaticContact NE2-CE1 3.96Å; H446-H457 AromaticContact NE2-CG 3.93Å; H446-H457 AromaticContact NE2-ND1 3.2Å; H446-H457 PolarHBondContact NE2-ND1 2.89Å; H446-W459 HydrophobicContact CB-CZ2 3.98Å; H446-W459 AromaticContact CD2-NE1 3.82Å; H446-L468 WeakPolarHBondContact NE2-CD2 3.45Å; H446-Y516 AromaticContact ND1-CD1 3.99Å; H446-Y517 CarbonylContact C-O 3.53Å; H446-Y517 WeakPolarHBondContact CA-O 3.27Å; H446-Y517 WeakPolarHBondContact CB-O 3.4Å
447	Y	89.1	Confident	86	Confident	12 Å²	12	61.9 Å²	61.9	5%	0.047	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	-180	162.4	67.7	-84.7	0	0	0	108.7	N452 N503 H505 Y516 Y517	Y447-N452 VanDerWaalsContact CD2-OD1 3.25Å; Y447-N452 WeakPolarHBondContact CD2-OD1 3.38Å; Y447-N452 WeakPolarHBondContact CE2-OD1 3.37Å; Y447-N503 HydrophobicContact CD1-CB 4.15Å; Y447-N503 HydrophobicContact CE1-CB 3.54Å; Y447-N503 PolarHBondContact OH-O 2.87Å; Y447-H505 HydrophobicContact CE1-CB 4.28Å; Y447-H505 AromaticContact CE1-CE1 3.89Å; Y447-H505 AromaticContact CZ-CE1 3.52Å; Y447-H505 PolarHBondContact OH-CE1 3.13Å; Y447-H505 PolarHBondContact OH-ND1 3.25Å; Y447-Y516 WeakPolarHBondContact O-CA 3.26Å; Y447-Y517 AromaticContact CD2-CD2 3.58Å; Y447-Y517 HydrophobicContact CD2-CD2 3.58Å; Y447-Y517 HydrophobicContact CD2-CE2 4.42Å; Y447-Y517 HydrophobicContact CD2-CG 4.17Å; Y447-Y517 VanDerWaalsContact CE1-CB 3.42Å; Y447-Y517 HydrophobicContact CE1-CG 4.2Å; Y447-Y517 HydrophobicContact CE2-CD1 4.46Å; Y447-Y517 AromaticContact CE2-CD2 3.17Å; Y447-Y517 HydrophobicContact CE2-CD2 3.17Å; Y447-Y517 AromaticContact CE2-CE2 3.91Å; Y447-Y517 HydrophobicContact CE2-CE2 3.91Å; Y447-Y517 AromaticContact CE2-CG 3.51Å; Y447-Y517 HydrophobicContact CE2-CG 3.51Å; Y447-Y517 HydrophobicContact CG-CD2 4.41Å; Y447-Y517 AromaticContact CZ-CD2 3.72Å; Y447-Y517 AromaticContact CZ-CG 3.51Å; Y447-Y517 PolarHBondContact N-O 2.85Å; Y447-Y517 PolarHBondContact O-N 2.81Å
448	T	90.3	Very high	87.1	Confident	11 Å²	11	58 Å²	58	7%	0.067	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	160.7	-169.8	65.5	0	0	0	0	114.1	R450 D451 M514 V515 Y516	T448-R450 PolarHBondContact O-N 3.01Å; T448-D451 PolarHBondContact N-O 2.67Å; T448-D451 CarbonylContact O-C 3.58Å; T448-D451 PolarHBondContact O-N 3.2Å; T448-D451 PolarHBondContact OG1-N 3.39Å; T448-D451 PolarHBondContact OG1-O 2.79Å; T448-M514 HydrophobicContact CG2-CE 3.94Å; T448-M514 HydrophobicContact CG2-CG 4.45Å; T448-M514 VanDerWaalsContact OG1-CE 3.22Å; T448-M514 WeakPolarHBondContact OG1-CE 2.89Å; T448-V515 CarbonylContact C-O 3.52Å; T448-V515 WeakPolarHBondContact CA-O 3.07Å; T448-V515 WeakPolarHBondContact CB-O 3.32Å; T448-Y516 HydrophobicContact CG2-CD1 3.53Å; T448-Y516 HydrophobicContact CG2-CE1 3.87Å; T448-Y516 HydrophobicContact CG2-CG 4.19Å
449	S	87.4	Confident	87.8	Confident	65 Å²	65	54.8 Å²	54.8	46%	0.455	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-8.9	178.8	57.8	0	0	0	0	115.5	V515	S449-V515 PolarHBondContact N-O 3.25Å; S449-V515 PolarHBondContact OG-N 3.26Å
450	R	86.9	Confident	88.3	Confident	182 Å²	182	54.1 Å²	54.1	69%	0.687	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-9	172.4	-50.7	-174.1	-172.5	-143.9	-0	113.8	T448 T513 M514	T448-R450 PolarHBondContact O-N 3.01Å; R450-T513 PolarHBondContact NE-O 2.76Å; R450-T513 PolarHBondContact NH2-O 2.98Å; R450-M514 HydrophobicContact CB-CE 3.73Å; R450-M514 HydrophobicContact CB-SD 4.43Å; R450-M514 HydrophobicContact CG-CE 3.84Å; R450-M514 HydrophobicContact CG-SD 3.87Å
451	D	84.5	Confident	88.4	Confident	50 Å²	50	51 Å²	51	27%	0.267	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	106.5	-175.8	-176.2	-3.6	0	0	0	109.9	T448 L453 K455	T448-D451 PolarHBondContact N-O 2.67Å; T448-D451 CarbonylContact O-C 3.58Å; T448-D451 PolarHBondContact O-N 3.2Å; T448-D451 PolarHBondContact OG1-N 3.39Å; T448-D451 PolarHBondContact OG1-O 2.79Å; D451-L453 VanDerWaalsContact C-N 3.28Å; D451-L453 PolarHBondContact O-N 3.38Å; D451-L453 WeakPolarHBondContact OD1-CB 3.28Å; D451-L453 VanDerWaalsContact OD1-CG 3.3Å; D451-L453 WeakPolarHBondContact OD1-CG 3.14Å; D451-L453 PolarHBondContact OD1-N 2.71Å; D451-K455 WeakPolarHBondContact OD2-CE 3.35Å; D451-K455 IonicContact OD2-NZ 3.17Å; D451-K455 PolarHBondContact OD2-NZ 3.21Å
452	N	82.4	Confident	88.1	Confident	77 Å²	77	47.7 Å²	47.7	41%	0.412	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	4.6	-178.4	-163.7	24.6	0	0	0	113	Y447 R454 G501 N503	Y447-N452 VanDerWaalsContact CD2-OD1 3.25Å; Y447-N452 WeakPolarHBondContact CD2-OD1 3.38Å; Y447-N452 WeakPolarHBondContact CE2-OD1 3.37Å; N452-R454 PolarHBondContact O-N 2.71Å; N452-G501 PolarHBondContact ND2-O 3.23Å; N452-N503 PolarHBondContact OD1-ND2 2.96Å
453	L	85.1	Confident	87.4	Confident	120 Å²	120	47.6 Å²	47.6	63%	0.628	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	116.2	171.1	-64.7	172.3	0	0	0	109.5	D451 K455	D451-L453 VanDerWaalsContact C-N 3.28Å; D451-L453 PolarHBondContact O-N 3.38Å; D451-L453 WeakPolarHBondContact OD1-CB 3.28Å; D451-L453 VanDerWaalsContact OD1-CG 3.3Å; D451-L453 WeakPolarHBondContact OD1-CG 3.14Å; D451-L453 PolarHBondContact OD1-N 2.71Å; L453-K455 PolarHBondContact O-N 3.37Å
454	R	83.1	Confident	87	Confident	116 Å²	116	49 Å²	49	44%	0.438	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	129.7	173.9	-60.4	-170.7	-166.8	-174.8	4.9	110.1	V445 N452 N503 E520	V445-R454 HydrophobicContact CG1-CB 4.4Å; N452-R454 PolarHBondContact O-N 2.71Å; R454-N503 VanDerWaalsContact CZ-OD1 3.27Å; R454-N503 PolarHBondContact NE-OD1 3.12Å; R454-N503 PolarHBondContact NH2-OD1 3.27Å; R454-E520 WeakPolarHBondContact CD-OE1 3.49Å; R454-E520 IonicContact CZ-OE1 2.87Å; R454-E520 IonicContact NE-OE1 3.13Å; R454-E520 VanDerWaalsContact NH1-CD 3.29Å; R454-E520 IonicContact NH1-OE1 2.63Å; R454-E520 PolarHBondContact NH1-OE1 3.3Å; R454-E520 IonicContact NH1-OE2 3.65Å
455	K	87.7	Confident	86.9	Confident	44 Å²	44	49.1 Å²	49.1	19%	0.191	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	132.1	-179.5	-70.4	165.9	-168.9	168.3	0	110.3	V445 H446 D451 L453 Y478	V445-K455 WeakPolarHBondContact CA-O 3.43Å; H446-K455 PolarHBondContact CD2-O 2.87Å; H446-K455 PolarHBondContact N-O 3.03Å; H446-K455 PolarHBondContact O-N 3.04Å; D451-K455 WeakPolarHBondContact OD2-CE 3.35Å; D451-K455 IonicContact OD2-NZ 3.17Å; D451-K455 PolarHBondContact OD2-NZ 3.21Å; L453-K455 PolarHBondContact O-N 3.37Å; K455-Y478 PolarHBondContact NZ-OH 3.49Å; K455-Y478 VanDerWaalsContact NZ-OH 3.1Å
456	R	88.6	Confident	87.1	Confident	110 Å²	110	48.5 Å²	48.5	42%	0.415	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	126.1	174.5	-171.7	172	177.2	-87.4	3.6	109.7	W443 M444 V445 S534	W443-R456 VanDerWaalsContact CB-NH2 3.33Å; W443-R456 VanDerWaalsContact CD2-CZ 3.48Å; W443-R456 HydrophobicContact CE3-CG 3.91Å; W443-R456 VanDerWaalsContact CG-CZ 3.5Å; W443-R456 HydrophobicContact CZ3-CG 4.42Å; M444-R456 WeakPolarHBondContact O-CA 3.44Å; V445-R456 HydrophobicContact CG2-CB 4.31Å; V445-R456 HydrophobicContact CG2-CG 4.2Å; R456-S534 VanDerWaalsContact CZ-O 3.31Å; R456-S534 PolarHBondContact NE-O 3.12Å; R456-S534 PolarHBondContact NH2-O 3.01Å
457	H	91.3	Very high	87.3	Confident	16 Å²	16	48.9 Å²	48.9	7%	0.074	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	154.1	-178.7	-75.6	85.2	0	0	0	110.1	M444 H446 W459 L468 F469 Y478	M444-H457 PolarHBondContact N-O 3.11Å; M444-H457 PolarHBondContact O-N 3.28Å; H446-H457 AromaticContact CD2-ND1 3.97Å; H446-H457 AromaticContact NE2-CE1 3.96Å; H446-H457 AromaticContact NE2-CG 3.93Å; H446-H457 AromaticContact NE2-ND1 3.2Å; H446-H457 PolarHBondContact NE2-ND1 2.89Å; H457-W459 PolarHBondContact O-N 2.68Å; H457-L468 HydrophobicContact CB-CB 4.2Å; H457-F469 WeakPolarHBondContact CA-O 3.3Å; H457-F469 WeakPolarHBondContact CB-O 3.44Å; H457-F469 PolarHBondContact CD2-O 3.48Å; H457-Y478 AromaticContact CE1-CD1 3.72Å; H457-Y478 AromaticContact CE1-CG 3.89Å; H457-Y478 WeakPolarHBondContact NE2-CB 3.35Å; H457-Y478 AromaticContact NE2-CD1 3.52Å; H457-Y478 AromaticContact NE2-CD2 3.96Å; H457-Y478 AromaticContact NE2-CG 3.28Å; H457-Y478 VanDerWaalsContact NE2-CG 3.28Å
458	Y	89.9	Confident	87.5	Confident	30 Å²	30	48.3 Å²	48.3	12%	0.118	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	107.9	172.1	-169.4	-92.7	0	0	0	108.8	E441 W443 F469 D472	E441-Y458 HydrophobicContact CB-CE1 3.87Å; E441-Y458 VanDerWaalsContact CD-OH 3.27Å; E441-Y458 HydrophobicContact CG-CE1 4.28Å; E441-Y458 WeakPolarHBondContact CG-OH 3.28Å; E441-Y458 PolarHBondContact OE1-OH 2.8Å; W443-Y458 AromaticContact CD1-CD2 3.82Å; W443-Y458 AromaticContact CD2-CD2 3.89Å; W443-Y458 HydrophobicContact CD2-CD2 3.89Å; W443-Y458 AromaticContact CE2-CD2 3.77Å; W443-Y458 AromaticContact CG-CD2 3.94Å; W443-Y458 HydrophobicContact CG-CD2 3.94Å; W443-Y458 HydrophobicContact CZ2-CD2 4.38Å; W443-Y458 AromaticContact NE1-CD2 3.68Å; Y458-F469 PolarHBondContact N-O 3.02Å; Y458-F469 WeakPolarHBondContact O-CB 3.43Å; Y458-F469 PolarHBondContact O-N 2.91Å; Y458-D472 HydrophobicContact CD1-CB 4.37Å; Y458-D472 HydrophobicContact CD2-CB 3.79Å; Y458-D472 HydrophobicContact CE1-CB 4.45Å; Y458-D472 HydrophobicContact CE2-CB 3.87Å; Y458-D472 HydrophobicContact CG-CB 4.03Å
459	W	92.9	Very high	87.4	Confident	1 Å²	1	48.7 Å²	48.7	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	141.5	-176.8	-73.8	24.8	0	0	0	110	E441 G442 M444 H446 H457 L466 S467 L468 I509 V518 W544 I548	E441-W459 CarbonylContact C-O 3.04Å; E441-W459 WeakPolarHBondContact CA-O 3.26Å; E441-W459 WeakPolarHBondContact CB-O 3.36Å; G442-W459 PolarHBondContact N-O 3.44Å; G442-W459 PolarHBondContact O-N 3.13Å; M444-W459 HydrophobicContact CB-CD2 3.64Å; M444-W459 HydrophobicContact CB-CE3 4.09Å; M444-W459 HydrophobicContact CB-CG 3.83Å; M444-W459 HydrophobicContact CB-CZ2 4.36Å; M444-W459 HydrophobicContact CG-CD2 3.93Å; M444-W459 HydrophobicContact CG-CE3 3.95Å; M444-W459 HydrophobicContact CG-CG 4.17Å; H446-W459 HydrophobicContact CB-CZ2 3.98Å; H446-W459 AromaticContact CD2-NE1 3.82Å; H457-W459 PolarHBondContact O-N 2.68Å; W459-L466 HydrophobicContact CB-CD1 4.31Å; W459-L466 HydrophobicContact CD2-CD1 4.26Å; W459-L466 HydrophobicContact CD2-CD2 4.5Å; W459-L466 HydrophobicContact CE3-CD1 3.82Å; W459-L466 HydrophobicContact CE3-CD2 3.86Å; W459-L466 HydrophobicContact CE3-CG 4.29Å; W459-L466 HydrophobicContact CH2-CD2 4.14Å; W459-L466 HydrophobicContact CZ3-CD1 4.46Å; W459-L466 HydrophobicContact CZ3-CD2 3.67Å; W459-S467 CarbonylContact C-O 3.6Å; W459-S467 WeakPolarHBondContact CA-O 3.43Å; W459-L468 HydrophobicContact CD2-CG 4.48Å; W459-L468 HydrophobicContact CG-CG 4.35Å; W459-L468 HydrophobicContact CZ2-CD2 3.99Å; W459-I509 HydrophobicContact CH2-CD1 3.88Å; W459-I509 HydrophobicContact CZ3-CD1 3.99Å; W459-V518 HydrophobicContact CH2-CB 4.3Å; W459-V518 HydrophobicContact CH2-CG1 3.47Å; W459-V518 VanDerWaalsContact CH2-CG1 3.47Å; W459-V518 HydrophobicContact CH2-CG2 3.75Å; W459-V518 HydrophobicContact CZ2-CG1 4.19Å; W459-V518 HydrophobicContact CZ3-CG1 3.85Å; W459-W544 HydrophobicContact CB-CH2 3.46Å; W459-W544 VanDerWaalsContact CB-CH2 3.46Å; W459-W544 HydrophobicContact CB-CZ2 3.77Å; W459-W544 HydrophobicContact CB-CZ3 4.01Å; W459-W544 HydrophobicContact CE3-CD2 4.43Å; W459-W544 HydrophobicContact CE3-CE3 4.11Å; W459-W544 HydrophobicContact CE3-CZ3 4.28Å; W459-W544 WeakPolarHBondContact O-CH2 3.12Å; W459-I548 HydrophobicContact CZ3-CD1 4.17Å
460	R	91.1	Very high	87.4	Confident	64 Å²	64	50.2 Å²	50.2	24%	0.242	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	115.1	172.9	178.8	175.1	-75.9	139.5	0.4	108.3	V438 E441 S467 F469	V438-R460 HydrophobicContact CB-CG 4.49Å; V438-R460 HydrophobicContact CG1-CG 3.9Å; V438-R460 HydrophobicContact CG2-CG 3.79Å; E441-R460 HydrophobicContact CB-CB 4.29Å; E441-R460 HydrophobicContact CB-CG 4.43Å; E441-R460 IonicContact OE1-NH2 3.24Å; E441-R460 IonicContact OE2-CZ 2.8Å; E441-R460 IonicContact OE2-NE 3.64Å; E441-R460 PolarHBondContact OE2-NE 2.93Å; E441-R460 IonicContact OE2-NH2 3.87Å; E441-R460 PolarHBondContact OE2-NH2 3.31Å; R460-S467 PolarHBondContact N-O 3.4Å; R460-S467 PolarHBondContact O-N 2.96Å; R460-F469 HydrophobicContact CB-CD2 4.21Å; R460-F469 HydrophobicContact CB-CE2 3.93Å
461	L	89.3	Confident	87.2	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	134	177.1	174.7	68.1	0	0	0	109.3	V438 V439 K440 L466 L483 W544 A547 I548 A551	V438-L461 CarbonylContact C-O 3.6Å; V439-L461 HydrophobicContact CB-CD2 4.34Å; V439-L461 HydrophobicContact CB-CG 4.22Å; V439-L461 HydrophobicContact CG1-CD2 4.2Å; V439-L461 PolarHBondContact N-O 3.17Å; K440-L461 HydrophobicContact CB-CB 4.46Å; K440-L461 PolarHBondContact N-O 2.89Å; K440-L461 PolarHBondContact O-N 2.84Å; L461-L466 HydrophobicContact CB-CD1 4.09Å; L461-L466 HydrophobicContact CD1-CB 4.38Å; L461-L466 HydrophobicContact CD1-CD1 4.42Å; L461-L483 HydrophobicContact CD1-CD1 4.25Å; L461-L483 HydrophobicContact CD1-CD2 3.78Å; L461-W544 HydrophobicContact CB-CZ3 3.91Å; L461-A547 HydrophobicContact CD2-CB 4.06Å; L461-A547 WeakPolarHBondContact CD2-O 3.22Å; L461-I548 HydrophobicContact CD1-CG1 4.45Å; L461-I548 HydrophobicContact CD2-CG1 4.03Å; L461-A551 HydrophobicContact CD1-CB 3.87Å; L461-A551 HydrophobicContact CD2-CB 3.94Å; L461-A551 HydrophobicContact CG-CB 4.08Å
462	D	85.6	Confident	87	Confident	17 Å²	17	45.6 Å²	45.6	9%	0.091	21%	0.211	C	C	.	.			trans	-132.8	-162.5	173.8	71.1	29.7	0	0	0	111.4	S436 K464 S465 L483	S436-D462 WeakPolarHBondContact CB-OD2 3.37Å; S436-D462 PolarHBondContact OG-OD2 2.91Å; D462-K464 VanDerWaalsContact C-N 3.26Å; D462-K464 PolarHBondContact O-N 3.14Å; D462-K464 WeakPolarHBondContact OD1-CA 3.4Å; D462-K464 PolarHBondContact OD1-N 2.98Å; D462-S465 PolarHBondContact N-O 2.73Å; D462-S465 PolarHBondContact OD1-N 3.29Å; D462-L483 WeakPolarHBondContact O-CD1 3.5Å
463	S	74.5	Confident	86.6	Confident	13 Å²	13	47.9 Å²	47.9	9%	0.091	23%	0.228	C	C	.	.	S	Bend	trans	-76.3	-4.6	-179.6	64.1	0	0	0	0	115.2	D600	S463-D600 WeakPolarHBondContact CB-OD1 3.38Å; S463-D600 PolarHBondContact OG-OD1 3.48Å
464	K	79.7	Confident	85.8	Confident	85 Å²	85	43 Å²	43	37%	0.37	21%	0.206	S	C	.	.	S	Bend	trans	-135.2	-29.9	-171.2	-50.8	-162.8	-176.1	-157.7	0	113.9	D462 P482 L483 D600	D462-K464 VanDerWaalsContact C-N 3.26Å; D462-K464 PolarHBondContact O-N 3.14Å; D462-K464 WeakPolarHBondContact OD1-CA 3.4Å; D462-K464 PolarHBondContact OD1-N 2.98Å; K464-P482 CarbonylContact O-C 3.54Å; K464-P482 WeakPolarHBondContact O-CA 3.46Å; K464-L483 PolarHBondContact O-N 3.47Å; K464-D600 WeakPolarHBondContact CE-OD1 3.48Å; K464-D600 WeakPolarHBondContact CE-OD2 3.41Å; K464-D600 IonicContact NZ-OD1 3.33Å; K464-D600 IonicContact NZ-OD2 2.8Å; K464-D600 PolarHBondContact NZ-OD2 3.1Å
465	S	87.8	Confident	85.3	Confident	3 Å²	3	42.2 Å²	42.2	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	155.8	-175.7	81.6	0	0	0	0	113.4	D462 S467 I481	D462-S465 PolarHBondContact N-O 2.73Å; D462-S465 PolarHBondContact OD1-N 3.29Å; S465-S467 PolarHBondContact OG-OG 3.34Å; S465-I481 WeakPolarHBondContact CA-O 3.49Å
466	L	92.8	Very high	84.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	108.4	152.4	177.9	64.3	0	0	0	107.7	W459 L461 L468 I481 I509 W544 I548	W459-L466 HydrophobicContact CB-CD1 4.31Å; W459-L466 HydrophobicContact CD2-CD1 4.26Å; W459-L466 HydrophobicContact CD2-CD2 4.5Å; W459-L466 HydrophobicContact CE3-CD1 3.82Å; W459-L466 HydrophobicContact CE3-CD2 3.86Å; W459-L466 HydrophobicContact CE3-CG 4.29Å; W459-L466 HydrophobicContact CH2-CD2 4.14Å; W459-L466 HydrophobicContact CZ3-CD1 4.46Å; W459-L466 HydrophobicContact CZ3-CD2 3.67Å; L461-L466 HydrophobicContact CB-CD1 4.09Å; L461-L466 HydrophobicContact CD1-CB 4.38Å; L461-L466 HydrophobicContact CD1-CD1 4.42Å; L466-L468 HydrophobicContact CG-CD1 4.12Å; L466-L468 WeakPolarHBondContact O-CD1 3.37Å; L466-I481 HydrophobicContact CB-CB 4.44Å; L466-I481 PolarHBondContact N-O 2.77Å; L466-I481 PolarHBondContact O-N 3.22Å; L466-I509 HydrophobicContact CD2-CD1 3.86Å; L466-W544 HydrophobicContact CD1-CZ3 4.05Å; L466-I548 HydrophobicContact CD2-CD1 4.11Å
467	S	92.8	Very high	84.4	Confident	11 Å²	11	46.1 Å²	46.1	8%	0.077	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.4	-179.1	-76	0	0	0	0	111.4	W459 R460 S465	W459-S467 CarbonylContact C-O 3.6Å; W459-S467 WeakPolarHBondContact CA-O 3.43Å; R460-S467 PolarHBondContact N-O 3.4Å; R460-S467 PolarHBondContact O-N 2.96Å; S465-S467 PolarHBondContact OG-OG 3.34Å
468	L	92.8	Very high	84.2	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	97.4	-175.4	-67.5	76.8	0	0	0	110	H446 H457 W459 L466 F477 Y478 K479 I481	H446-L468 WeakPolarHBondContact NE2-CD2 3.45Å; H457-L468 HydrophobicContact CB-CB 4.2Å; W459-L468 HydrophobicContact CD2-CG 4.48Å; W459-L468 HydrophobicContact CG-CG 4.35Å; W459-L468 HydrophobicContact CZ2-CD2 3.99Å; L466-L468 HydrophobicContact CG-CD1 4.12Å; L466-L468 WeakPolarHBondContact O-CD1 3.37Å; L468-F477 CarbonylContact O-C 3.56Å; L468-F477 WeakPolarHBondContact O-CA 3.36Å; L468-Y478 PolarHBondContact O-N 3.4Å; L468-K479 WeakPolarHBondContact CB-O 3.01Å; L468-K479 PolarHBondContact N-O 2.85Å; L468-I481 HydrophobicContact CD1-CD1 3.87Å; L468-I481 HydrophobicContact CD1-CG1 4.07Å
469	F	88.9	Confident	84.1	Confident	19 Å²	19	52.3 Å²	52.3	8%	0.083	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	146.9	-178.9	-66.1	-89.5	0	0	0	113	H457 Y458 R460 N471 G474 F477	H457-F469 WeakPolarHBondContact CA-O 3.3Å; H457-F469 WeakPolarHBondContact CB-O 3.44Å; H457-F469 PolarHBondContact CD2-O 3.48Å; Y458-F469 PolarHBondContact N-O 3.02Å; Y458-F469 WeakPolarHBondContact O-CB 3.43Å; Y458-F469 PolarHBondContact O-N 2.91Å; R460-F469 HydrophobicContact CB-CD2 4.21Å; R460-F469 HydrophobicContact CB-CE2 3.93Å; F469-N471 WeakPolarHBondContact CB-O 3.18Å; F469-N471 PolarHBondContact O-N 3.07Å; F469-G474 WeakPolarHBondContact CD1-O 3.47Å; F469-F477 HydrophobicContact CD1-CB 4.04Å; F469-F477 HydrophobicContact CE1-CB 4.06Å; F469-F477 HydrophobicContact CE1-CD1 4.38Å; F469-F477 HydrophobicContact CG-CB 4.42Å; F469-F477 HydrophobicContact CZ-CB 4.46Å
470	Q	86.7	Confident	84	Confident	96 Å²	96	55.9 Å²	55.9	45%	0.449	29%	0.287	S	S	.	.	S	Bend	trans	-69.8	-27.2	175.6	-61.4	-169.3	-41.7	0	0	111.7	K476	Q470-K476 PolarHBondContact N-O 3Å
471	N	83.5	Confident	84	Confident	65 Å²	65	52.8 Å²	52.8	35%	0.348	28%	0.275	S	S	.	.	S	Bend	trans	-151.4	151.8	179.1	51.7	-20.8	0	0	0	110.3	F469 T473 G474	F469-N471 WeakPolarHBondContact CB-O 3.18Å; F469-N471 PolarHBondContact O-N 3.07Å; N471-T473 PolarHBondContact O-N 3.32Å; N471-G474 PolarHBondContact O-N 3.2Å; N471-G474 WeakPolarHBondContact OD1-CA 3.26Å
472	D	79.6	Confident	84	Confident	71 Å²	71	54.6 Å²	54.6	38%	0.38	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	-37.1	177.7	41.8	32.1	0	0	0	114.7	Y458	Y458-D472 HydrophobicContact CD1-CB 4.37Å; Y458-D472 HydrophobicContact CD2-CB 3.79Å; Y458-D472 HydrophobicContact CE1-CB 4.45Å; Y458-D472 HydrophobicContact CE2-CB 3.87Å; Y458-D472 HydrophobicContact CG-CB 4.03Å
473	T	75.1	Confident	83.9	Confident	124 Å²	124	53.8 Å²	53.8	76%	0.761	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-4.9	-170.3	38.6	0	0	0	0	113.7	N471	N471-T473 PolarHBondContact O-N 3.32Å
474	G	68	Low	84.1	Confident	18 Å²	18	54.2 Å²	54.2	19%	0.186	29%	0.286	C	S	.	.			trans	-97.7	143.9	-175.7	0	0	0	0	0	113.9	F469 N471 K476	F469-G474 WeakPolarHBondContact CD1-O 3.47Å; N471-G474 PolarHBondContact O-N 3.2Å; N471-G474 WeakPolarHBondContact OD1-CA 3.26Å; G474-K476 PolarHBondContact O-N 2.74Å
475	A	72.3	Confident	84.4	Confident	99 Å²	99	54 Å²	54	82%	0.818	29%	0.286	S	S	*	.	S	Bend	trans	-78.2	-4.4	172.3	0	0	0	0	0	113.9
476	K	77.7	Confident	84.4	Confident	143 Å²	143	53.9 Å²	53.9	62%	0.622	29%	0.285	S	S	*	.			trans	-94.5	106.3	-175	-171.9	-179.7	179.6	-174.7	0	111	Q470 G474	Q470-K476 PolarHBondContact N-O 3Å; G474-K476 PolarHBondContact O-N 2.74Å
477	F	80.2	Confident	83.8	Confident	93 Å²	93	56.3 Å²	56.3	41%	0.408	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	149	169.7	59.3	-96.3	0	0	0	112.4	L468 F469 E480	L468-F477 CarbonylContact O-C 3.56Å; L468-F477 WeakPolarHBondContact O-CA 3.36Å; F469-F477 HydrophobicContact CD1-CB 4.04Å; F469-F477 HydrophobicContact CE1-CB 4.06Å; F469-F477 HydrophobicContact CE1-CD1 4.38Å; F469-F477 HydrophobicContact CG-CB 4.42Å; F469-F477 HydrophobicContact CZ-CB 4.46Å; F477-E480 HydrophobicContact CD2-CB 4.02Å; F477-E480 HydrophobicContact CE2-CB 3.7Å; F477-E480 HydrophobicContact CZ-CB 4.14Å
478	Y	86.6	Confident	83.3	Confident	106 Å²	106	60.3 Å²	60.3	42%	0.416	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	-42.6	169.7	166.6	-106.7	0	0	0	111	K455 H457 L468	K455-Y478 PolarHBondContact NZ-OH 3.49Å; K455-Y478 VanDerWaalsContact NZ-OH 3.1Å; H457-Y478 AromaticContact CE1-CD1 3.72Å; H457-Y478 AromaticContact CE1-CG 3.89Å; H457-Y478 WeakPolarHBondContact NE2-CB 3.35Å; H457-Y478 AromaticContact NE2-CD1 3.52Å; H457-Y478 AromaticContact NE2-CD2 3.96Å; H457-Y478 AromaticContact NE2-CG 3.28Å; H457-Y478 VanDerWaalsContact NE2-CG 3.28Å; L468-Y478 PolarHBondContact O-N 3.4Å
479	K	88.4	Confident	83	Confident	70 Å²	70	60.7 Å²	60.7	30%	0.304	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	140.6	177.5	178.2	59.3	174.8	138.9	0	109.4	L468 I481 Y516	L468-K479 WeakPolarHBondContact CB-O 3.01Å; L468-K479 PolarHBondContact N-O 2.85Å; K479-I481 HydrophobicContact CG-CG1 3.93Å; K479-Y516 WeakPolarHBondContact CE-OH 3.35Å
480	E	91.4	Very high	82.7	Confident	76 Å²	76	63.9 Å²	63.9	36%	0.355	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132	163.8	-176.6	175.2	-171.9	0	0	107	F477	F477-E480 HydrophobicContact CD2-CB 4.02Å; F477-E480 HydrophobicContact CE2-CB 3.7Å; F477-E480 HydrophobicContact CZ-CB 4.14Å
481	I	90.7	Very high	82.4	Confident	0 Å²	0	61.1 Å²	61.1	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	102.7	176.4	-52.9	173.5	0	0	0	106.7	S465 L466 L468 K479 L483 I486 T511 Y516	S465-I481 WeakPolarHBondContact CA-O 3.49Å; L466-I481 HydrophobicContact CB-CB 4.44Å; L466-I481 PolarHBondContact N-O 2.77Å; L466-I481 PolarHBondContact O-N 3.22Å; L468-I481 HydrophobicContact CD1-CD1 3.87Å; L468-I481 HydrophobicContact CD1-CG1 4.07Å; K479-I481 HydrophobicContact CG-CG1 3.93Å; I481-L483 PolarHBondContact O-N 2.94Å; I481-I486 HydrophobicContact CG2-CD1 4.33Å; I481-I486 HydrophobicContact CG2-CG1 3.91Å; I481-T511 HydrophobicContact CG2-CG2 4.3Å; I481-Y516 HydrophobicContact CD1-CD1 4.19Å; I481-Y516 HydrophobicContact CD1-CD2 4.12Å; I481-Y516 HydrophobicContact CD1-CE1 3.78Å; I481-Y516 HydrophobicContact CD1-CE2 3.7Å; I481-Y516 HydrophobicContact CD1-CG 4.36Å; I481-Y516 HydrophobicContact CG1-CE2 4.44Å
482	P	88.2	Confident	81.7	Confident	37 Å²	37	60.3 Å²	60.3	24%	0.24	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	136.2	172.6	-24.8	34.7	0	0	0	110.7	K464 S484 E485	K464-P482 CarbonylContact O-C 3.54Å; K464-P482 WeakPolarHBondContact O-CA 3.46Å; P482-S484 PolarHBondContact O-N 2.79Å; P482-S484 VanDerWaalsContact O-N 3.13Å; P482-E485 HydrophobicContact CB-CG 4.2Å; P482-E485 HydrophobicContact CG-CG 4.24Å; P482-E485 WeakPolarHBondContact CG-OE1 3.45Å; P482-E485 WeakPolarHBondContact O-CB 3.46Å; P482-E485 PolarHBondContact O-N 2.92Å
483	L	84.9	Confident	80.7	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.5	-179.5	-68.8	-177.6	0	0	0	112.5	L461 D462 K464 I481 E485 I486 A551 L552 R617	L461-L483 HydrophobicContact CD1-CD1 4.25Å; L461-L483 HydrophobicContact CD1-CD2 3.78Å; D462-L483 WeakPolarHBondContact O-CD1 3.5Å; K464-L483 PolarHBondContact O-N 3.47Å; I481-L483 PolarHBondContact O-N 2.94Å; L483-E485 VanDerWaalsContact C-N 3.34Å; L483-I486 HydrophobicContact CD2-CD1 3.82Å; L483-I486 PolarHBondContact O-N 2.92Å; L483-A551 HydrophobicContact CD1-CB 3.76Å; L483-L552 HydrophobicContact CB-CD2 4.17Å; L483-L552 HydrophobicContact CD2-CD2 4.35Å; L483-L552 WeakPolarHBondContact O-CD2 3.37Å; L483-R617 PolarHBondContact O-NH1 3.26Å
484	S	79.2	Confident	79.6	Confident	23 Å²	23	66.4 Å²	66.4	16%	0.161	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-19.4	172	55	0	0	0	0	114.8	P482	P482-S484 PolarHBondContact O-N 2.79Å; P482-S484 VanDerWaalsContact O-N 3.13Å
485	E	85.7	Confident	78.9	Confident	80 Å²	80	73.2 Å²	73.2	37%	0.374	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-19.9	173.9	-72.9	-179.2	-159.5	0	0	112.6	P482 L483 L487 T511	P482-E485 HydrophobicContact CB-CG 4.2Å; P482-E485 HydrophobicContact CG-CG 4.24Å; P482-E485 WeakPolarHBondContact CG-OE1 3.45Å; P482-E485 WeakPolarHBondContact O-CB 3.46Å; P482-E485 PolarHBondContact O-N 2.92Å; L483-E485 VanDerWaalsContact C-N 3.34Å; E485-L487 PolarHBondContact O-N 2.78Å; E485-T511 WeakPolarHBondContact O-CA 3.37Å; E485-T511 VanDerWaalsContact O-CB 3.25Å; E485-T511 WeakPolarHBondContact O-CB 3.41Å
486	I	86.8	Confident	77.7	Confident	0 Å²	0	72.4 Å²	72.4	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	116.2	172.4	-57.3	178.5	0	0	0	107.4	I481 L483 V489 I509 I548 L552 R617	I481-I486 HydrophobicContact CG2-CD1 4.33Å; I481-I486 HydrophobicContact CG2-CG1 3.91Å; L483-I486 HydrophobicContact CD2-CD1 3.82Å; L483-I486 PolarHBondContact O-N 2.92Å; I486-V489 HydrophobicContact CG2-CG2 3.86Å; I486-I509 HydrophobicContact CB-CG2 4.35Å; I486-I509 HydrophobicContact CD1-CG2 3.81Å; I486-I509 HydrophobicContact CG1-CG2 3.77Å; I486-I509 HydrophobicContact CG2-CG2 3.78Å; I486-I548 HydrophobicContact CD1-CG2 4.24Å; I486-L552 HydrophobicContact CB-CD2 4.2Å; I486-L552 HydrophobicContact CG2-CD1 4.13Å; I486-L552 HydrophobicContact CG2-CD2 4.37Å; I486-R617 WeakPolarHBondContact O-CD 3.47Å; I486-R617 PolarHBondContact O-NH1 3.04Å
487	L	80.8	Confident	76.3	Confident	52 Å²	52	72.7 Å²	72.7	27%	0.272	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	-45.8	177.2	-57.2	-176.7	0	0	0	110.4	E485 I510 A512 R617	E485-L487 PolarHBondContact O-N 2.78Å; L487-I510 PolarHBondContact N-O 3.02Å; L487-A512 HydrophobicContact CD1-CB 4.14Å; L487-R617 HydrophobicContact CD2-CB 3.93Å
488	Q	81.8	Confident	75.1	Confident	94 Å²	94	71.3 Å²	71.3	44%	0.439	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	154.2	-180	-69.5	169.2	-70	0	0	110.6	E490 I510	Q488-E490 HydrophobicContact CB-CG 4.31Å; Q488-E490 PolarHBondContact NE2-OE1 3.03Å; Q488-I510 HydrophobicContact CB-CB 4.24Å; Q488-I510 HydrophobicContact CB-CD1 4.25Å; Q488-I510 PolarHBondContact N-O 2.95Å; Q488-I510 PolarHBondContact O-N 3.49Å
489	V	85.8	Confident	73.4	Confident	9 Å²	9	69.9 Å²	69.9	6%	0.055	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.5	161.9	179.6	0	0	0	0	105.8	I486 F507 E508 E545 I548 R549 L552	I486-V489 HydrophobicContact CG2-CG2 3.86Å; V489-F507 HydrophobicContact CG1-CD2 3.88Å; V489-F507 HydrophobicContact CG1-CE2 4.35Å; V489-E508 VanDerWaalsContact CA-O 3.31Å; V489-E508 WeakPolarHBondContact CA-O 3.4Å; V489-E545 HydrophobicContact CG1-CG 3.75Å; V489-I548 HydrophobicContact CG2-CG2 3.92Å; V489-R549 PolarHBondContact O-NH1 3.3Å; V489-R549 PolarHBondContact O-NH2 2.79Å; V489-L552 HydrophobicContact CG2-CD1 3.86Å
490	E	83.1	Confident	71.2	Confident	86 Å²	86	76.6 Å²	76.6	40%	0.402	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	129.2	-176.2	-59.5	-152.6	148.3	0	0	110.6	Q488 F507 E508 I510	Q488-E490 HydrophobicContact CB-CG 4.31Å; Q488-E490 PolarHBondContact NE2-OE1 3.03Å; E490-F507 CarbonylContact O-C 3.6Å; E490-F507 VanDerWaalsContact O-CA 3.28Å; E490-F507 WeakPolarHBondContact O-CA 3.36Å; E490-F507 WeakPolarHBondContact O-CB 3.19Å; E490-E508 PolarHBondContact N-O 3.1Å; E490-E508 PolarHBondContact O-N 2.85Å; E490-I510 HydrophobicContact CG-CD1 4.09Å
491	P	80.8	Confident	69.4	Low	38 Å²	38	76 Å²	76	25%	0.247	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	140.1	174.9	33.6	-29.3	0	0	0	109	R493	P491-R493 HydrophobicContact CG-CG 4.38Å; P491-R493 WeakPolarHBondContact O-CG 3.42Å; P491-R493 PolarHBondContact O-N 2.76Å
492	F	69.1	Low	67.9	Low	47 Å²	47	78.2 Å²	78.2	21%	0.206	42%	0.415	C	S	.	.			trans	-63.8	123.4	179.4	-173.8	-97.5	0	0	0	110.6	D494 Y495 L498 H505 C506	F492-D494 WeakPolarHBondContact CZ-O 3.36Å; F492-Y495 HydrophobicContact CE1-CD1 4.04Å; F492-Y495 HydrophobicContact CE1-CD2 4.25Å; F492-Y495 HydrophobicContact CE1-CE1 4.02Å; F492-Y495 HydrophobicContact CE1-CE2 4.22Å; F492-Y495 HydrophobicContact CE1-CG 4.17Å; F492-L498 HydrophobicContact CE2-CD1 4.31Å; F492-L498 HydrophobicContact CE2-CD2 4.06Å; F492-L498 HydrophobicContact CE2-CG 4.24Å; F492-L498 HydrophobicContact CZ-CD1 3.74Å; F492-L498 HydrophobicContact CZ-CD2 4.3Å; F492-L498 HydrophobicContact CZ-CG 4Å; F492-H505 AromaticContact CD2-NE2 3.94Å; F492-H505 AromaticContact CE2-NE2 3.8Å; F492-C506 WeakPolarHBondContact CB-O 3.3Å; F492-C506 PolarHBondContact N-O 3.34Å
493	R	58.1	Low	66.9	Low	215 Å²	215	77.8 Å²	77.8	81%	0.811	41%	0.411	S	S	*	.			trans	-125.3	-17.7	-166	-88.1	-179	179.7	-166.2	3.4	117.3	P491	P491-R493 HydrophobicContact CG-CG 4.38Å; P491-R493 WeakPolarHBondContact O-CG 3.42Å; P491-R493 PolarHBondContact O-N 2.76Å
494	D	53.1	Low	66.3	Low	108 Å²	108	80.2 Å²	80.2	58%	0.578	43%	0.427	S	S	*	.			trans	-145.4	135.8	-179.2	-154.5	-50.3	0	0	0	112.4	F492 S496	F492-D494 WeakPolarHBondContact CZ-O 3.36Å; D494-S496 WeakPolarHBondContact OD1-CB 3.47Å; D494-S496 PolarHBondContact OD1-N 2.83Å; D494-S496 VanDerWaalsContact OD1-N 3.08Å; D494-S496 PolarHBondContact OD1-OG 3.28Å
495	Y	52	Low	66.4	Low	161 Å²	161	79.6 Å²	79.6	63%	0.631	42%	0.421	S	S	*	.	S	Bend	trans	-93.8	-4.1	-172.7	-71.5	-97.7	0	0	0	113.5	F492 N521	F492-Y495 HydrophobicContact CE1-CD1 4.04Å; F492-Y495 HydrophobicContact CE1-CD2 4.25Å; F492-Y495 HydrophobicContact CE1-CE1 4.02Å; F492-Y495 HydrophobicContact CE1-CE2 4.22Å; F492-Y495 HydrophobicContact CE1-CG 4.17Å; Y495-N521 PolarHBondContact OH-ND2 2.8Å
496	S	47.7	Very low	66.2	Low	82 Å²	82	76.7 Å²	76.7	57%	0.573	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-17	-165.7	53.4	0	0	0	0	116.2	D494	D494-S496 WeakPolarHBondContact OD1-CB 3.47Å; D494-S496 PolarHBondContact OD1-N 2.83Å; D494-S496 VanDerWaalsContact OD1-N 3.08Å; D494-S496 PolarHBondContact OD1-OG 3.28Å
497	N	47	Very low	66.3	Low	149 Å²	149	76.7 Å²	76.7	80%	0.797	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.1	21.2	-170.9	-76.3	-78.4	0	0	0	115	A499	N497-A499 PolarHBondContact O-N 2.96Å; N497-A499 VanDerWaalsContact O-N 3.11Å
498	L	55.8	Low	66.8	Low	65 Å²	65	76.2 Å²	76.2	34%	0.34	41%	0.406	S	S	.	.			trans	-65.1	110.9	169.5	-81.3	170.4	0	0	0	109.9	F492 Q500 S502	F492-L498 HydrophobicContact CE2-CD1 4.31Å; F492-L498 HydrophobicContact CE2-CD2 4.06Å; F492-L498 HydrophobicContact CE2-CG 4.24Å; F492-L498 HydrophobicContact CZ-CD1 3.74Å; F492-L498 HydrophobicContact CZ-CD2 4.3Å; F492-L498 HydrophobicContact CZ-CG 4Å; L498-Q500 PolarHBondContact O-N 3.25Å; L498-S502 WeakPolarHBondContact CD2-OG 3.39Å
499	A	50.7	Low	67.2	Low	75 Å²	75	71.7 Å²	71.7	62%	0.62	39%	0.385	S	S	*	.			trans	-55.8	136.1	177.6	0	0	0	0	0	110.8	N497 G501 S502	N497-A499 PolarHBondContact O-N 2.96Å; N497-A499 VanDerWaalsContact O-N 3.11Å; A499-G501 PolarHBondContact O-N 2.79Å; A499-S502 PolarHBondContact N-OG 2.85Å; A499-S502 WeakPolarHBondContact O-CB 3.34Å; A499-S502 PolarHBondContact O-N 3.38Å; A499-S502 PolarHBondContact O-OG 2.71Å
500	Q	41.9	Very low	67.3	Low	212 Å²	212	72.8 Å²	72.8	99%	0.991	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	109	-171.8	-71	176.2	-34.9	0	0	111.5	L498	L498-Q500 PolarHBondContact O-N 3.25Å
501	G	53.9	Low	67.6	Low	64 Å²	64	69.1 Å²	69.1	66%	0.66	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.9	-1.4	-175	0	0	0	0	0	115.7	N452 A499	N452-G501 PolarHBondContact ND2-O 3.23Å; A499-G501 PolarHBondContact O-N 2.79Å
502	S	59.7	Low	67.6	Low	45 Å²	45	71.3 Å²	71.3	32%	0.315	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-74.5	145.5	170.3	51.2	0	0	0	0	112.1	L498 A499	L498-S502 WeakPolarHBondContact CD2-OG 3.39Å; A499-S502 PolarHBondContact N-OG 2.85Å; A499-S502 WeakPolarHBondContact O-CB 3.34Å; A499-S502 PolarHBondContact O-N 3.38Å; A499-S502 PolarHBondContact O-OG 2.71Å
503	N	67.8	Low	68.4	Low	28 Å²	28	73.4 Å²	73.4	15%	0.15	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-86.2	142.6	-176.3	-74.3	-71.7	0	0	0	111.5	Y447 N452 R454 H505	Y447-N503 HydrophobicContact CD1-CB 4.15Å; Y447-N503 HydrophobicContact CE1-CB 3.54Å; Y447-N503 PolarHBondContact OH-O 2.87Å; N452-N503 PolarHBondContact OD1-ND2 2.96Å; R454-N503 VanDerWaalsContact CZ-OD1 3.27Å; R454-N503 PolarHBondContact NE-OD1 3.12Å; R454-N503 PolarHBondContact NH2-OD1 3.27Å; N503-H505 VanDerWaalsContact C-CE1 3.42Å; N503-H505 PolarHBondContact O-CE1 3.21Å; N503-H505 PolarHBondContact O-N 3.07Å; N503-H505 PolarHBondContact O-ND1 2.88Å
504	P	71.4	Confident	69.8	Low	52 Å²	52	65 Å²	65	34%	0.338	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-71.3	120.4	176.7	28.8	-33.9	0	0	0	111	N521	P504-N521 HydrophobicContact CB-CB 4.46Å
505	H	81.1	Confident	71.5	Confident	9 Å²	9	61.2 Å²	61.2	4%	0.042	36%	0.362	C	S	.	.			trans	-124.8	173.8	179.8	59.2	-84.4	0	0	0	110.7	Y447 F492 N503 E508 Y517	Y447-H505 HydrophobicContact CE1-CB 4.28Å; Y447-H505 AromaticContact CE1-CE1 3.89Å; Y447-H505 AromaticContact CZ-CE1 3.52Å; Y447-H505 PolarHBondContact OH-CE1 3.13Å; Y447-H505 PolarHBondContact OH-ND1 3.25Å; F492-H505 AromaticContact CD2-NE2 3.94Å; F492-H505 AromaticContact CE2-NE2 3.8Å; N503-H505 VanDerWaalsContact C-CE1 3.42Å; N503-H505 PolarHBondContact O-CE1 3.21Å; N503-H505 PolarHBondContact O-N 3.07Å; N503-H505 PolarHBondContact O-ND1 2.88Å; H505-E508 IonicContact NE2-OE1 3.81Å; H505-Y517 AromaticContact NE2-CD1 3.83Å
506	C	82.4	Confident	73.4	Confident	19 Å²	19	54.2 Å²	54.2	13%	0.128	34%	0.335	C	S	.	.	S	Bend	trans	-107.3	-36.6	-174.4	-60.4	0	0	0	0	113.1	F492 V518 E520 A541	F492-C506 WeakPolarHBondContact CB-O 3.3Å; F492-C506 PolarHBondContact N-O 3.34Å; C506-V518 WeakPolarHBondContact CB-O 3.5Å; C506-V518 PolarHBondContact N-O 2.88Å; C506-E520 VanDerWaalsContact SG-C 3.6Å; C506-A541 HydrophobicContact CB-CB 3.4Å; C506-A541 VanDerWaalsContact CB-CB 3.4Å
507	F	88.5	Confident	75.3	Confident	1 Å²	1	52.5 Å²	52.5	0%	0.004	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	164	176.5	71	-87.3	0	0	0	111.3	M444 V489 E490 I509 V518 A541 W544 E545 I548	M444-F507 HydrophobicContact CE-CE1 4.41Å; V489-F507 HydrophobicContact CG1-CD2 3.88Å; V489-F507 HydrophobicContact CG1-CE2 4.35Å; E490-F507 CarbonylContact O-C 3.6Å; E490-F507 VanDerWaalsContact O-CA 3.28Å; E490-F507 WeakPolarHBondContact O-CA 3.36Å; E490-F507 WeakPolarHBondContact O-CB 3.19Å; F507-I509 HydrophobicContact CD2-CG1 4.14Å; F507-I509 HydrophobicContact CE2-CD1 3.97Å; F507-I509 HydrophobicContact CE2-CG1 3.71Å; F507-V518 HydrophobicContact CD1-CB 4.11Å; F507-V518 HydrophobicContact CD1-CG1 4.34Å; F507-V518 HydrophobicContact CD2-CB 4.18Å; F507-V518 HydrophobicContact CD2-CG2 4.36Å; F507-V518 HydrophobicContact CE1-CB 3.82Å; F507-V518 HydrophobicContact CE1-CG1 3.58Å; F507-V518 HydrophobicContact CE2-CB 3.92Å; F507-V518 HydrophobicContact CE2-CG1 4.08Å; F507-V518 HydrophobicContact CE2-CG2 4.01Å; F507-V518 HydrophobicContact CG-CB 4.28Å; F507-V518 HydrophobicContact CZ-CB 3.73Å; F507-V518 HydrophobicContact CZ-CG1 3.44Å; F507-V518 VanDerWaalsContact CZ-CG1 3.44Å; F507-V518 HydrophobicContact CZ-CG2 4.24Å; F507-V518 PolarHBondContact N-O 2.63Å; F507-V518 PolarHBondContact O-N 3.05Å; F507-A541 HydrophobicContact CD1-CB 4.08Å; F507-A541 HydrophobicContact CE1-CB 4.05Å; F507-A541 VanDerWaalsContact CE1-O 3.23Å; F507-A541 WeakPolarHBondContact CE1-O 3.12Å; F507-W544 HydrophobicContact CE1-CB 4.28Å; F507-W544 HydrophobicContact CZ-CB 4.15Å; F507-E545 HydrophobicContact CB-CG 4.19Å; F507-E545 HydrophobicContact CD1-CB 4.02Å; F507-E545 HydrophobicContact CD2-CB 4.3Å; F507-E545 HydrophobicContact CD2-CG 4.18Å; F507-E545 HydrophobicContact CE1-CB 4.18Å; F507-E545 HydrophobicContact CE2-CB 4.43Å; F507-E545 HydrophobicContact CG-CB 4.07Å; F507-E545 HydrophobicContact CG-CG 4.08Å; F507-E545 HydrophobicContact CZ-CB 4.38Å; F507-I548 HydrophobicContact CE2-CD1 4.1Å; F507-I548 HydrophobicContact CZ-CD1 4.16Å
508	E	90.4	Very high	77.3	Confident	41 Å²	41	45.4 Å²	45.4	19%	0.192	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.5	178.6	-58.4	-167.2	-164.2	0	0	111	V489 E490 H505 I510 V515 Y516 Y517	V489-E508 VanDerWaalsContact CA-O 3.31Å; V489-E508 WeakPolarHBondContact CA-O 3.4Å; E490-E508 PolarHBondContact N-O 3.1Å; E490-E508 PolarHBondContact O-N 2.85Å; H505-E508 IonicContact NE2-OE1 3.81Å; E508-I510 HydrophobicContact CB-CG1 4.47Å; E508-V515 HydrophobicContact CB-CG1 4.16Å; E508-V515 HydrophobicContact CG-CG1 4.44Å; E508-V515 VanDerWaalsContact OE2-CG1 3.26Å; E508-V515 WeakPolarHBondContact OE2-CG1 3.49Å; E508-Y516 CarbonylContact C-O 3.22Å; E508-Y516 WeakPolarHBondContact CA-O 3.27Å; E508-Y517 HydrophobicContact CG-CD1 3.76Å; E508-Y517 HydrophobicContact CG-CE1 4.11Å; E508-Y517 WeakPolarHBondContact OE1-CE1 3.12Å; E508-Y517 WeakPolarHBondContact OE2-CE1 3.49Å
509	I	91.6	Very high	78.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	114.1	167.6	-53.1	174.7	0	0	0	107.1	W459 L466 I486 F507 Y516 V518 I548	W459-I509 HydrophobicContact CH2-CD1 3.88Å; W459-I509 HydrophobicContact CZ3-CD1 3.99Å; L466-I509 HydrophobicContact CD2-CD1 3.86Å; I486-I509 HydrophobicContact CB-CG2 4.35Å; I486-I509 HydrophobicContact CD1-CG2 3.81Å; I486-I509 HydrophobicContact CG1-CG2 3.77Å; I486-I509 HydrophobicContact CG2-CG2 3.78Å; F507-I509 HydrophobicContact CD2-CG1 4.14Å; F507-I509 HydrophobicContact CE2-CD1 3.97Å; F507-I509 HydrophobicContact CE2-CG1 3.71Å; I509-Y516 PolarHBondContact N-O 3.34Å; I509-Y516 PolarHBondContact O-N 3Å; I509-V518 HydrophobicContact CD1-CG2 4.05Å; I509-V518 HydrophobicContact CG1-CG2 4.06Å; I509-I548 HydrophobicContact CD1-CD1 3.91Å
510	I	87.6	Confident	79.7	Confident	31 Å²	31	40.4 Å²	40.4	16%	0.159	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.4	-173.9	-56.8	176.3	0	0	0	108.9	L487 Q488 E490 E508 V515	L487-I510 PolarHBondContact N-O 3.02Å; Q488-I510 HydrophobicContact CB-CB 4.24Å; Q488-I510 HydrophobicContact CB-CD1 4.25Å; Q488-I510 PolarHBondContact N-O 2.95Å; Q488-I510 PolarHBondContact O-N 3.49Å; E490-I510 HydrophobicContact CG-CD1 4.09Å; E508-I510 HydrophobicContact CB-CG1 4.47Å; I510-V515 HydrophobicContact CG1-CG1 4.37Å; I510-V515 HydrophobicContact CG1-CG2 4.36Å; I510-V515 HydrophobicContact CG2-CG2 4.47Å
511	T	88.6	Confident	80.8	Confident	10 Å²	10	31.9 Å²	31.9	6%	0.061	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	168.9	168.8	84	0	0	0	0	110.4	I481 E485 T513 M514 Y516	I481-T511 HydrophobicContact CG2-CG2 4.3Å; E485-T511 WeakPolarHBondContact O-CA 3.37Å; E485-T511 VanDerWaalsContact O-CB 3.25Å; E485-T511 WeakPolarHBondContact O-CB 3.41Å; T511-T513 PolarHBondContact O-N 3.08Å; T511-T513 PolarHBondContact OG1-N 3.03Å; T511-M514 PolarHBondContact N-O 3.43Å; T511-M514 PolarHBondContact OG1-N 3.29Å; T511-M514 PolarHBondContact OG1-O 3.41Å; T511-Y516 HydrophobicContact CG2-CD2 4.5Å; T511-Y516 HydrophobicContact CG2-CE2 4.04Å
512	A	80.6	Confident	81.1	Confident	84 Å²	84	33 Å²	33	69%	0.694	19%	0.193	S	C	*	.	S	Bend	trans	-59.7	-10.4	178.5	0	0	0	0	0	115.3	L487	L487-A512 HydrophobicContact CD1-CB 4.14Å
513	T	85.9	Confident	80.7	Confident	90 Å²	90	36.1 Å²	36.1	55%	0.552	22%	0.216	S	C	*	.	S	Bend	trans	-134.6	-10.5	-175.8	59.2	0	0	0	0	114.9	R450 T511	R450-T513 PolarHBondContact NE-O 2.76Å; R450-T513 PolarHBondContact NH2-O 2.98Å; T511-T513 PolarHBondContact O-N 3.08Å; T511-T513 PolarHBondContact OG1-N 3.03Å
514	M	88.4	Confident	79.7	Confident	40 Å²	40	38.4 Å²	38.4	20%	0.197	23%	0.234	C	C	.	.			trans	-153.2	140.5	-170.5	-147.3	94.5	177.5	0	0	110.1	T448 R450 T511 Y516	T448-M514 HydrophobicContact CG2-CE 3.94Å; T448-M514 HydrophobicContact CG2-CG 4.45Å; T448-M514 VanDerWaalsContact OG1-CE 3.22Å; T448-M514 WeakPolarHBondContact OG1-CE 2.89Å; R450-M514 HydrophobicContact CB-CE 3.73Å; R450-M514 HydrophobicContact CB-SD 4.43Å; R450-M514 HydrophobicContact CG-CE 3.84Å; R450-M514 HydrophobicContact CG-SD 3.87Å; T511-M514 PolarHBondContact N-O 3.43Å; T511-M514 PolarHBondContact OG1-N 3.29Å; T511-M514 PolarHBondContact OG1-O 3.41Å; M514-Y516 HydrophobicContact CB-CD2 4.43Å; M514-Y516 HydrophobicContact CB-CE2 3.83Å; M514-Y516 HydrophobicContact CG-CE2 4.02Å
515	V	89.1	Confident	78.4	Confident	27 Å²	27	44.8 Å²	44.8	16%	0.164	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	133.7	160.3	-178.5	0	0	0	0	107.4	T448 S449 E508 I510 Y517	T448-V515 CarbonylContact C-O 3.52Å; T448-V515 WeakPolarHBondContact CA-O 3.07Å; T448-V515 WeakPolarHBondContact CB-O 3.32Å; S449-V515 PolarHBondContact N-O 3.25Å; S449-V515 PolarHBondContact OG-N 3.26Å; E508-V515 HydrophobicContact CB-CG1 4.16Å; E508-V515 HydrophobicContact CG-CG1 4.44Å; E508-V515 VanDerWaalsContact OE2-CG1 3.26Å; E508-V515 WeakPolarHBondContact OE2-CG1 3.49Å; I510-V515 HydrophobicContact CG1-CG1 4.37Å; I510-V515 HydrophobicContact CG1-CG2 4.36Å; I510-V515 HydrophobicContact CG2-CG2 4.47Å; V515-Y517 HydrophobicContact CB-CE2 4.26Å; V515-Y517 HydrophobicContact CG1-CD1 4.18Å; V515-Y517 HydrophobicContact CG1-CD2 4.47Å; V515-Y517 HydrophobicContact CG1-CE1 3.73Å; V515-Y517 HydrophobicContact CG1-CE2 4.08Å
516	Y	90.8	Very high	76.6	Confident	14 Å²	14	53.7 Å²	53.7	6%	0.055	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.8	169.5	-57.5	-103.5	0	0	0	108.1	H446 Y447 T448 K479 I481 E508 I509 T511 M514	H446-Y516 AromaticContact ND1-CD1 3.99Å; Y447-Y516 WeakPolarHBondContact O-CA 3.26Å; T448-Y516 HydrophobicContact CG2-CD1 3.53Å; T448-Y516 HydrophobicContact CG2-CE1 3.87Å; T448-Y516 HydrophobicContact CG2-CG 4.19Å; K479-Y516 WeakPolarHBondContact CE-OH 3.35Å; I481-Y516 HydrophobicContact CD1-CD1 4.19Å; I481-Y516 HydrophobicContact CD1-CD2 4.12Å; I481-Y516 HydrophobicContact CD1-CE1 3.78Å; I481-Y516 HydrophobicContact CD1-CE2 3.7Å; I481-Y516 HydrophobicContact CD1-CG 4.36Å; I481-Y516 HydrophobicContact CG1-CE2 4.44Å; E508-Y516 CarbonylContact C-O 3.22Å; E508-Y516 WeakPolarHBondContact CA-O 3.27Å; I509-Y516 PolarHBondContact N-O 3.34Å; I509-Y516 PolarHBondContact O-N 3Å; T511-Y516 HydrophobicContact CG2-CD2 4.5Å; T511-Y516 HydrophobicContact CG2-CE2 4.04Å; M514-Y516 HydrophobicContact CB-CD2 4.43Å; M514-Y516 HydrophobicContact CB-CE2 3.83Å; M514-Y516 HydrophobicContact CG-CE2 4.02Å
517	Y	88.8	Confident	74.7	Confident	47 Å²	47	60.5 Å²	60.5	18%	0.184	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.2	176.5	-55.5	-83.1	0	0	0	108.1	H446 Y447 H505 E508 V515	H446-Y517 CarbonylContact C-O 3.53Å; H446-Y517 WeakPolarHBondContact CA-O 3.27Å; H446-Y517 WeakPolarHBondContact CB-O 3.4Å; Y447-Y517 AromaticContact CD2-CD2 3.58Å; Y447-Y517 HydrophobicContact CD2-CD2 3.58Å; Y447-Y517 HydrophobicContact CD2-CE2 4.42Å; Y447-Y517 HydrophobicContact CD2-CG 4.17Å; Y447-Y517 VanDerWaalsContact CE1-CB 3.42Å; Y447-Y517 HydrophobicContact CE1-CG 4.2Å; Y447-Y517 HydrophobicContact CE2-CD1 4.46Å; Y447-Y517 AromaticContact CE2-CD2 3.17Å; Y447-Y517 HydrophobicContact CE2-CD2 3.17Å; Y447-Y517 AromaticContact CE2-CE2 3.91Å; Y447-Y517 HydrophobicContact CE2-CE2 3.91Å; Y447-Y517 AromaticContact CE2-CG 3.51Å; Y447-Y517 HydrophobicContact CE2-CG 3.51Å; Y447-Y517 HydrophobicContact CG-CD2 4.41Å; Y447-Y517 AromaticContact CZ-CD2 3.72Å; Y447-Y517 AromaticContact CZ-CG 3.51Å; Y447-Y517 PolarHBondContact N-O 2.85Å; Y447-Y517 PolarHBondContact O-N 2.81Å; H505-Y517 AromaticContact NE2-CD1 3.83Å; E508-Y517 HydrophobicContact CG-CD1 3.76Å; E508-Y517 HydrophobicContact CG-CE1 4.11Å; E508-Y517 WeakPolarHBondContact OE1-CE1 3.12Å; E508-Y517 WeakPolarHBondContact OE2-CE1 3.49Å; V515-Y517 HydrophobicContact CB-CE2 4.26Å; V515-Y517 HydrophobicContact CG1-CD1 4.18Å; V515-Y517 HydrophobicContact CG1-CD2 4.47Å; V515-Y517 HydrophobicContact CG1-CE1 3.73Å; V515-Y517 HydrophobicContact CG1-CE2 4.08Å
518	V	88.3	Confident	72.9	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.7	-159.2	-168.4	0	0	0	0	112.8	M444 W459 C506 F507 I509	M444-V518 HydrophobicContact CE-CG1 3.51Å; W459-V518 HydrophobicContact CH2-CB 4.3Å; W459-V518 HydrophobicContact CH2-CG1 3.47Å; W459-V518 VanDerWaalsContact CH2-CG1 3.47Å; W459-V518 HydrophobicContact CH2-CG2 3.75Å; W459-V518 HydrophobicContact CZ2-CG1 4.19Å; W459-V518 HydrophobicContact CZ3-CG1 3.85Å; C506-V518 WeakPolarHBondContact CB-O 3.5Å; C506-V518 PolarHBondContact N-O 2.88Å; F507-V518 HydrophobicContact CD1-CB 4.11Å; F507-V518 HydrophobicContact CD1-CG1 4.34Å; F507-V518 HydrophobicContact CD2-CB 4.18Å; F507-V518 HydrophobicContact CD2-CG2 4.36Å; F507-V518 HydrophobicContact CE1-CB 3.82Å; F507-V518 HydrophobicContact CE1-CG1 3.58Å; F507-V518 HydrophobicContact CE2-CB 3.92Å; F507-V518 HydrophobicContact CE2-CG1 4.08Å; F507-V518 HydrophobicContact CE2-CG2 4.01Å; F507-V518 HydrophobicContact CG-CB 4.28Å; F507-V518 HydrophobicContact CZ-CB 3.73Å; F507-V518 HydrophobicContact CZ-CG1 3.44Å; F507-V518 VanDerWaalsContact CZ-CG1 3.44Å; F507-V518 HydrophobicContact CZ-CG2 4.24Å; F507-V518 PolarHBondContact N-O 2.63Å; F507-V518 PolarHBondContact O-N 3.05Å; I509-V518 HydrophobicContact CD1-CG2 4.05Å; I509-V518 HydrophobicContact CG1-CG2 4.06Å
519	G	81.3	Confident	70.8	Confident	5 Å²	5	66.7 Å²	66.7	5%	0.052	37%	0.368	C	S	.	.	S	Bend	trans	80.9	176.9	-177.4	0	0	0	0	0	113.2	V445	V445-G519 PolarHBondContact O-N 3.33Å
520	E	75.1	Confident	68.8	Low	30 Å²	30	70.2 Å²	70.2	14%	0.14	40%	0.397	C	S	.	.			trans	-128.5	131.2	170.9	-61.5	-169.8	159.6	0	0	109.6	V445 R454 C506 V536	V445-E520 HydrophobicContact CB-CG 4.48Å; V445-E520 HydrophobicContact CG1-CG 4.28Å; R454-E520 WeakPolarHBondContact CD-OE1 3.49Å; R454-E520 IonicContact CZ-OE1 2.87Å; R454-E520 IonicContact NE-OE1 3.13Å; R454-E520 VanDerWaalsContact NH1-CD 3.29Å; R454-E520 IonicContact NH1-OE1 2.63Å; R454-E520 PolarHBondContact NH1-OE1 3.3Å; R454-E520 IonicContact NH1-OE2 3.65Å; C506-E520 VanDerWaalsContact SG-C 3.6Å; E520-V536 HydrophobicContact CB-CG1 4.22Å
521	N	65.4	Low	67	Low	32 Å²	32	72.8 Å²	72.8	17%	0.171	41%	0.411	C	S	.	.			trans	-101.3	80.7	176	-176.5	14.9	0	0	0	109.9	Y495 P504	Y495-N521 PolarHBondContact OH-ND2 2.8Å; P504-N521 HydrophobicContact CB-CB 4.46Å
522	N	60.4	Low	65	Low	87 Å²	87	75.3 Å²	75.3	47%	0.465	43%	0.432	S	S	.	.			trans	-87.9	120.5	171.5	-69	-35	0	0	0	109.1	S524	N522-S524 PolarHBondContact O-N 3.46Å
523	S	50.8	Low	63.5	Low	112 Å²	112	75 Å²	75	78%	0.783	43%	0.43	S	S	*	.			trans	-69.2	20.8	-170.3	-35.2	0	0	0	0	116.2
524	S	47.8	Very low	62.1	Low	75 Å²	75	72.3 Å²	72.3	52%	0.524	42%	0.415	S	S	.	.			trans	-99.4	104.1	-173.7	55.2	0	0	0	0	111.6	N522 Y526	N522-S524 PolarHBondContact O-N 3.46Å; S524-Y526 PolarHBondContact O-N 3.39Å
525	H	44.2	Very low	60.6	Low	187 Å²	187	70.6 Å²	70.6	87%	0.866	41%	0.407	S	S	*	.			trans	-70.1	36.2	-176.6	-75.1	-80	0	0	0	116
526	Y	43	Very low	59.3	Low	195 Å²	195	70.8 Å²	70.8	77%	0.765	41%	0.409	S	S	*	.			trans	-99.5	103.9	178.5	-71.1	-75	0	0	0	111.6	S524 S528	S524-Y526 PolarHBondContact O-N 3.39Å; Y526-S528 PolarHBondContact O-N 2.8Å; Y526-S528 VanDerWaalsContact O-N 3.12Å
527	H	43.1	Very low	58.1	Low	163 Å²	163	71.3 Å²	71.3	76%	0.755	42%	0.419	S	S	*	.			trans	-62.5	112.6	168.2	-72.8	-79.6	0	0	0	110	E539	H527-E539 IonicContact CE1-OE1 2.86Å; H527-E539 PolarHBondContact CE1-OE1 2.85Å
528	S	48.8	Very low	57.3	Low	56 Å²	56	71.7 Å²	71.7	39%	0.392	43%	0.426	S	S	.	.			trans	-128.2	117.8	170.8	176.9	0	0	0	0	109.4	Y526 A530 L531	Y526-S528 PolarHBondContact O-N 2.8Å; Y526-S528 VanDerWaalsContact O-N 3.12Å; S528-A530 PolarHBondContact O-N 3.27Å; S528-A530 VanDerWaalsContact O-N 3.07Å; S528-L531 WeakPolarHBondContact O-CB 3.21Å; S528-L531 PolarHBondContact O-N 2.87Å
529	P	47.6	Very low	56.6	Low	116 Å²	116	77.9 Å²	77.9	75%	0.753	46%	0.455	S	S	*	.	H	α-helix	trans	-55.9	-26.1	178.5	-28.2	36.1	0	0	0	114.1	L531 A532	P529-L531 VanDerWaalsContact C-N 3.31Å; P529-L531 PolarHBondContact O-N 3.1Å; P529-A532 PolarHBondContact O-N 2.68Å
530	A	48.8	Very low	56.5	Low	73 Å²	73	79.1 Å²	79.1	60%	0.603	46%	0.461	S	S	*	.	H	α-helix	trans	-66.4	-29.1	175.8	0	0	0	0	0	113.3	S528	S528-A530 PolarHBondContact O-N 3.27Å; S528-A530 VanDerWaalsContact O-N 3.07Å
531	L	51.1	Low	56.9	Low	85 Å²	85	77.7 Å²	77.7	45%	0.445	45%	0.454	S	S	.	.	H	α-helix	trans	-73.1	-35.8	177.5	-68	174.6	0	0	0	111.8	S528 P529 A533 S534	S528-L531 WeakPolarHBondContact O-CB 3.21Å; S528-L531 PolarHBondContact O-N 2.87Å; P529-L531 VanDerWaalsContact C-N 3.31Å; P529-L531 PolarHBondContact O-N 3.1Å; L531-A533 VanDerWaalsContact C-N 3.28Å; L531-A533 PolarHBondContact O-N 2.86Å; L531-S534 WeakPolarHBondContact O-CB 3.17Å; L531-S534 PolarHBondContact O-N 3.33Å; L531-S534 PolarHBondContact O-OG 2.86Å
532	A	46.4	Very low	57.7	Low	63 Å²	63	81.5 Å²	81.5	52%	0.521	47%	0.471	S	S	.	.	H	α-helix	trans	-59.1	-38.6	176.5	0	0	0	0	0	112.3	P529 S534	P529-A532 PolarHBondContact O-N 2.68Å; A532-S534 VanDerWaalsContact C-N 3.27Å; A532-S534 PolarHBondContact O-N 3.46Å
533	A	48.2	Very low	58.8	Low	79 Å²	79	78.8 Å²	78.8	65%	0.653	46%	0.464	S	S	*	.	H	α-helix	trans	-70.4	-20.1	174.4	0	0	0	0	0	113.8	L531	L531-A533 VanDerWaalsContact C-N 3.28Å; L531-A533 PolarHBondContact O-N 2.86Å
534	S	56.2	Low	60.6	Low	32 Å²	32	73.6 Å²	73.6	22%	0.224	43%	0.427	C	S	.	.	H	α-helix	trans	-81	-19.1	-176.4	79	0	0	0	0	114.2	R456 L531 A532 V536	R456-S534 VanDerWaalsContact CZ-O 3.31Å; R456-S534 PolarHBondContact NE-O 3.12Å; R456-S534 PolarHBondContact NH2-O 3.01Å; L531-S534 WeakPolarHBondContact O-CB 3.17Å; L531-S534 PolarHBondContact O-N 3.33Å; L531-S534 PolarHBondContact O-OG 2.86Å; A532-S534 VanDerWaalsContact C-N 3.27Å; A532-S534 PolarHBondContact O-N 3.46Å; S534-V536 WeakPolarHBondContact OG-CB 3.32Å; S534-V536 WeakPolarHBondContact OG-CG2 3.42Å; S534-V536 PolarHBondContact OG-N 2.96Å
535	G	57.4	Low	62.5	Low	4 Å²	4	71.5 Å²	71.5	4%	0.041	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	24.3	-173.7	0	0	0	0	0	114.2	W443	W443-G535 WeakPolarHBondContact O-CA 3.48Å
536	V	62.3	Low	64.3	Low	31 Å²	31	67.5 Å²	67.5	19%	0.188	39%	0.389	C	S	.	.			trans	-128.2	138.1	-174.1	-177.5	0	0	0	0	109.5	V445 E520 S534	V445-V536 HydrophobicContact CG2-CG2 4.16Å; E520-V536 HydrophobicContact CB-CG1 4.22Å; S534-V536 WeakPolarHBondContact OG-CB 3.32Å; S534-V536 WeakPolarHBondContact OG-CG2 3.42Å; S534-V536 PolarHBondContact OG-N 2.96Å
537	G	65.9	Low	66.4	Low	26 Å²	26	58.7 Å²	58.7	27%	0.268	36%	0.356	S	S	.	.	S	Bend	trans	118.4	155	178.3	0	0	0	0	0	114.3	E539 V540 A541	G537-E539 PolarHBondContact O-N 3.13Å; G537-V540 PolarHBondContact O-N 3.23Å; G537-A541 PolarHBondContact O-N 2.64Å; G537-A541 VanDerWaalsContact O-N 3.12Å
538	V	70.8	Confident	68.4	Low	54 Å²	54	51 Å²	51	33%	0.327	32%	0.321	S	S	.	.	H	α-helix	trans	-64.1	-42.3	-172.1	179.3	0	0	0	0	112.4	V540 A541 Q542	V538-V540 PolarHBondContact O-N 3.1Å; V538-A541 PolarHBondContact O-N 3.23Å; V538-Q542 HydrophobicContact CG1-CG 4.22Å; V538-Q542 WeakPolarHBondContact O-CB 3.39Å; V538-Q542 WeakPolarHBondContact O-CG 3.5Å; V538-Q542 PolarHBondContact O-N 3.18Å
539	E	73.8	Confident	70	Confident	131 Å²	131	52.6 Å²	52.6	61%	0.612	32%	0.318	S	S	*	.	H	α-helix	trans	-61.9	-41.3	178.7	-61.6	-177.1	145.9	0	0	112.4	H527 G537 G543	H527-E539 IonicContact CE1-OE1 2.86Å; H527-E539 PolarHBondContact CE1-OE1 2.85Å; G537-E539 PolarHBondContact O-N 3.13Å; E539-G543 PolarHBondContact O-N 3.04Å
540	V	80.3	Confident	71.4	Confident	30 Å²	30	50.4 Å²	50.4	18%	0.182	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-44.7	177.1	179.8	0	0	0	0	109.7	M444 G537 V538 G543 W544	M444-V540 HydrophobicContact SD-CG1 3.92Å; G537-V540 PolarHBondContact O-N 3.23Å; V538-V540 PolarHBondContact O-N 3.1Å; V540-G543 PolarHBondContact O-N 2.96Å; V540-W544 VanDerWaalsContact O-CD1 3.28Å; V540-W544 PolarHBondContact O-N 3.08Å
541	A	82.5	Confident	72.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.8	-46.3	177.5	0	0	0	0	0	112.6	M444 C506 F507 G537 V538 G543 W544 E545	M444-A541 HydrophobicContact CE-CB 4.39Å; C506-A541 HydrophobicContact CB-CB 3.4Å; C506-A541 VanDerWaalsContact CB-CB 3.4Å; F507-A541 HydrophobicContact CD1-CB 4.08Å; F507-A541 HydrophobicContact CE1-CB 4.05Å; F507-A541 VanDerWaalsContact CE1-O 3.23Å; F507-A541 WeakPolarHBondContact CE1-O 3.12Å; G537-A541 PolarHBondContact O-N 2.64Å; G537-A541 VanDerWaalsContact O-N 3.12Å; V538-A541 PolarHBondContact O-N 3.23Å; A541-G543 VanDerWaalsContact C-N 3.31Å; A541-G543 PolarHBondContact O-N 3.39Å; A541-W544 CarbonylContact O-C 3.58Å; A541-W544 WeakPolarHBondContact O-CA 3.15Å; A541-W544 WeakPolarHBondContact O-CB 3.35Å; A541-W544 PolarHBondContact O-N 3.24Å; A541-E545 PolarHBondContact O-N 3.42Å
542	Q	82.3	Confident	73.9	Confident	112 Å²	112	44 Å²	44	52%	0.523	25%	0.254	S	S	.	.	H	α-helix	trans	-60.5	-39.6	173.7	-72.9	174.4	-9.2	0	0	112.1	V538 W544 E545 K546	V538-Q542 HydrophobicContact CG1-CG 4.22Å; V538-Q542 WeakPolarHBondContact O-CB 3.39Å; V538-Q542 WeakPolarHBondContact O-CG 3.5Å; V538-Q542 PolarHBondContact O-N 3.18Å; Q542-W544 PolarHBondContact O-N 2.95Å; Q542-E545 PolarHBondContact O-N 3.13Å; Q542-K546 WeakPolarHBondContact O-CB 3.48Å; Q542-K546 PolarHBondContact O-N 3.37Å
543	G	83.8	Confident	74.8	Confident	30 Å²	30	43.7 Å²	43.7	31%	0.309	24%	0.243	S	C	.	.	H	α-helix	trans	-66.7	-21.9	174.4	0	0	0	0	0	114.1	K440 E539 V540 A541 A547	K440-G543 VanDerWaalsContact CE-O 3.32Å; K440-G543 WeakPolarHBondContact CE-O 3.43Å; E539-G543 PolarHBondContact O-N 3.04Å; V540-G543 PolarHBondContact O-N 2.96Å; A541-G543 VanDerWaalsContact C-N 3.31Å; A541-G543 PolarHBondContact O-N 3.39Å; G543-A547 WeakPolarHBondContact O-CB 3.4Å
544	W	88.3	Confident	75.2	Confident	4 Å²	4	42.1 Å²	42.1	2%	0.015	23%	0.226	C	C	.	.	H	α-helix	trans	-85.7	-45.2	169.5	-88.1	103.9	0	0	0	112.3	K440 M444 W459 L461 L466 F507 V540 A541 Q542 K546 A547 I548	K440-W544 HydrophobicContact CB-CH2 4.24Å; K440-W544 HydrophobicContact CB-CZ3 4.14Å; K440-W544 HydrophobicContact CD-CD2 3.66Å; K440-W544 HydrophobicContact CD-CE3 3.76Å; K440-W544 HydrophobicContact CD-CG 4.14Å; K440-W544 HydrophobicContact CD-CH2 4.34Å; K440-W544 HydrophobicContact CD-CZ2 4.26Å; K440-W544 HydrophobicContact CD-CZ3 4.11Å; K440-W544 VanDerWaalsContact CE-CD2 3.44Å; K440-W544 VanDerWaalsContact CE-CE2 3.48Å; K440-W544 HydrophobicContact CG-CD2 4.3Å; K440-W544 HydrophobicContact CG-CE3 4.25Å; K440-W544 HydrophobicContact CG-CH2 3.94Å; K440-W544 HydrophobicContact CG-CZ2 4Å; K440-W544 HydrophobicContact CG-CZ3 4.07Å; M444-W544 HydrophobicContact CE-CG 4.43Å; M444-W544 HydrophobicContact CG-CD2 4.14Å; M444-W544 HydrophobicContact CG-CG 4.06Å; M444-W544 HydrophobicContact CG-CZ2 4.39Å; M444-W544 HydrophobicContact SD-CG 4Å; M444-W544 PolarHBondContact SD-NE1 3.44Å; W459-W544 HydrophobicContact CB-CH2 3.46Å; W459-W544 VanDerWaalsContact CB-CH2 3.46Å; W459-W544 HydrophobicContact CB-CZ2 3.77Å; W459-W544 HydrophobicContact CB-CZ3 4.01Å; W459-W544 HydrophobicContact CE3-CD2 4.43Å; W459-W544 HydrophobicContact CE3-CE3 4.11Å; W459-W544 HydrophobicContact CE3-CZ3 4.28Å; W459-W544 WeakPolarHBondContact O-CH2 3.12Å; L461-W544 HydrophobicContact CB-CZ3 3.91Å; L466-W544 HydrophobicContact CD1-CZ3 4.05Å; F507-W544 HydrophobicContact CE1-CB 4.28Å; F507-W544 HydrophobicContact CZ-CB 4.15Å; V540-W544 VanDerWaalsContact O-CD1 3.28Å; V540-W544 PolarHBondContact O-N 3.08Å; A541-W544 CarbonylContact O-C 3.58Å; A541-W544 WeakPolarHBondContact O-CA 3.15Å; A541-W544 WeakPolarHBondContact O-CB 3.35Å; A541-W544 PolarHBondContact O-N 3.24Å; Q542-W544 PolarHBondContact O-N 2.95Å; W544-K546 PolarHBondContact O-N 3.2Å; W544-A547 PolarHBondContact O-N 3.01Å; W544-A547 VanDerWaalsContact O-N 3.15Å; W544-I548 HydrophobicContact CE3-CD1 4.45Å; W544-I548 VanDerWaalsContact O-CG1 3.29Å; W544-I548 WeakPolarHBondContact O-CG1 3.48Å; W544-I548 PolarHBondContact O-N 3.38Å
545	E	86.9	Confident	74.9	Confident	30 Å²	30	42.1 Å²	42.1	14%	0.14	23%	0.225	C	C	.	.	H	α-helix	trans	-53.7	-51.3	175.1	-168.9	-148.1	149.6	0	0	110.7	V489 F507 A541 Q542 A547 I548 R549	V489-E545 HydrophobicContact CG1-CG 3.75Å; F507-E545 HydrophobicContact CB-CG 4.19Å; F507-E545 HydrophobicContact CD1-CB 4.02Å; F507-E545 HydrophobicContact CD2-CB 4.3Å; F507-E545 HydrophobicContact CD2-CG 4.18Å; F507-E545 HydrophobicContact CE1-CB 4.18Å; F507-E545 HydrophobicContact CE2-CB 4.43Å; F507-E545 HydrophobicContact CG-CB 4.07Å; F507-E545 HydrophobicContact CG-CG 4.08Å; F507-E545 HydrophobicContact CZ-CB 4.38Å; A541-E545 PolarHBondContact O-N 3.42Å; Q542-E545 PolarHBondContact O-N 3.13Å; E545-A547 PolarHBondContact O-N 2.83Å; E545-I548 PolarHBondContact O-N 2.64Å; E545-R549 WeakPolarHBondContact O-CG 3.5Å; E545-R549 PolarHBondContact O-N 2.78Å; E545-R549 IonicContact OE1-CZ 2.68Å; E545-R549 IonicContact OE1-NE 3.65Å; E545-R549 PolarHBondContact OE1-NE 3.36Å; E545-R549 IonicContact OE1-NH2 2.69Å; E545-R549 PolarHBondContact OE1-NH2 2.62Å
546	K	83.7	Confident	74.4	Confident	104 Å²	104	44.9 Å²	44.9	45%	0.452	24%	0.241	S	C	.	.	H	α-helix	trans	-61.2	-40.8	177.1	-177.8	172.7	175.5	178.4	0	112.3	Q542 W544 Q550 Q558	Q542-K546 WeakPolarHBondContact O-CB 3.48Å; Q542-K546 PolarHBondContact O-N 3.37Å; W544-K546 PolarHBondContact O-N 3.2Å; K546-Q550 WeakPolarHBondContact O-CB 3.3Å; K546-Q550 VanDerWaalsContact O-CG 3.25Å; K546-Q550 WeakPolarHBondContact O-CG 3.34Å; K546-Q550 PolarHBondContact O-N 3.23Å; K546-Q558 VanDerWaalsContact CE-OE1 3.26Å
547	A	85.4	Confident	73.2	Confident	10 Å²	10	48.2 Å²	48.2	8%	0.083	26%	0.263	C	S	.	.	H	α-helix	trans	-67.5	-40.6	178.3	0	0	0	0	0	112.1	K440 L461 G543 W544 E545 Q550 A551	K440-A547 HydrophobicContact CB-CB 4.29Å; K440-A547 HydrophobicContact CD-CB 3.55Å; L461-A547 HydrophobicContact CD2-CB 4.06Å; L461-A547 WeakPolarHBondContact CD2-O 3.22Å; G543-A547 WeakPolarHBondContact O-CB 3.4Å; W544-A547 PolarHBondContact O-N 3.01Å; W544-A547 VanDerWaalsContact O-N 3.15Å; E545-A547 PolarHBondContact O-N 2.83Å; A547-Q550 PolarHBondContact O-N 3.33Å; A547-A551 PolarHBondContact O-N 2.83Å
548	I	86.4	Confident	71.6	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-64.8	-48.3	175.4	-65.2	164.5	0	0	0	109.6	W459 L461 L466 I486 V489 F507 I509 W544 E545 Q550 A551 L552	W459-I548 HydrophobicContact CZ3-CD1 4.17Å; L461-I548 HydrophobicContact CD1-CG1 4.45Å; L461-I548 HydrophobicContact CD2-CG1 4.03Å; L466-I548 HydrophobicContact CD2-CD1 4.11Å; I486-I548 HydrophobicContact CD1-CG2 4.24Å; V489-I548 HydrophobicContact CG2-CG2 3.92Å; F507-I548 HydrophobicContact CE2-CD1 4.1Å; F507-I548 HydrophobicContact CZ-CD1 4.16Å; I509-I548 HydrophobicContact CD1-CD1 3.91Å; W544-I548 HydrophobicContact CE3-CD1 4.45Å; W544-I548 VanDerWaalsContact O-CG1 3.29Å; W544-I548 WeakPolarHBondContact O-CG1 3.48Å; W544-I548 PolarHBondContact O-N 3.38Å; E545-I548 PolarHBondContact O-N 2.64Å; I548-Q550 VanDerWaalsContact C-N 3.26Å; I548-Q550 PolarHBondContact O-N 2.99Å; I548-A551 CarbonylContact O-C 3.58Å; I548-A551 PolarHBondContact O-N 3.11Å; I548-L552 HydrophobicContact CG2-CD1 4.21Å; I548-L552 HydrophobicContact CG2-CG 4.44Å; I548-L552 WeakPolarHBondContact O-CG 3.46Å; I548-L552 PolarHBondContact O-N 3.4Å
549	R	81.7	Confident	69.6	Low	90 Å²	90	55.1 Å²	55.1	34%	0.34	29%	0.294	S	S	.	.	H	α-helix	trans	-54.4	-41.6	173	-71.1	-175	-168.7	-66.4	-7.3	112.5	V489 E545 L552 M553	V489-R549 PolarHBondContact O-NH1 3.3Å; V489-R549 PolarHBondContact O-NH2 2.79Å; E545-R549 WeakPolarHBondContact O-CG 3.5Å; E545-R549 PolarHBondContact O-N 2.78Å; E545-R549 IonicContact OE1-CZ 2.68Å; E545-R549 IonicContact OE1-NE 3.65Å; E545-R549 PolarHBondContact OE1-NE 3.36Å; E545-R549 IonicContact OE1-NH2 2.69Å; E545-R549 PolarHBondContact OE1-NH2 2.62Å; R549-L552 PolarHBondContact O-N 2.94Å; R549-M553 PolarHBondContact O-N 2.85Å
550	Q	77	Confident	67.3	Low	70 Å²	70	54.4 Å²	54.4	33%	0.327	30%	0.304	S	S	.	.	H	α-helix	trans	-68	-32.7	176.3	-75.1	175.7	-21.8	0	0	113.3	K546 A547 I548 M553 P554	K546-Q550 WeakPolarHBondContact O-CB 3.3Å; K546-Q550 VanDerWaalsContact O-CG 3.25Å; K546-Q550 WeakPolarHBondContact O-CG 3.34Å; K546-Q550 PolarHBondContact O-N 3.23Å; A547-Q550 PolarHBondContact O-N 3.33Å; I548-Q550 VanDerWaalsContact C-N 3.26Å; I548-Q550 PolarHBondContact O-N 2.99Å; Q550-M553 CarbonylContact O-C 3.56Å; Q550-M553 PolarHBondContact O-N 2.88Å; Q550-P554 VanDerWaalsContact O-CA 3.25Å; Q550-P554 WeakPolarHBondContact O-CA 3.2Å; Q550-P554 VanDerWaalsContact O-N 3.13Å
551	A	78.6	Confident	64.8	Low	5 Å²	5	59.6 Å²	59.6	4%	0.041	34%	0.335	C	S	.	.	H	α-helix	trans	-75.6	-25.6	172.7	0	0	0	0	0	113.2	L461 L483 A547 I548 M553 P554 Q596	L461-A551 HydrophobicContact CD1-CB 3.87Å; L461-A551 HydrophobicContact CD2-CB 3.94Å; L461-A551 HydrophobicContact CG-CB 4.08Å; L483-A551 HydrophobicContact CD1-CB 3.76Å; A547-A551 PolarHBondContact O-N 2.83Å; I548-A551 CarbonylContact O-C 3.58Å; I548-A551 PolarHBondContact O-N 3.11Å; A551-M553 VanDerWaalsContact C-N 3.31Å; A551-P554 WeakPolarHBondContact O-CD 3.35Å; A551-Q596 PolarHBondContact O-NE2 3.13Å; A551-Q596 VanDerWaalsContact O-NE2 3.17Å
552	L	74.4	Confident	62.1	Low	18 Å²	18	63.9 Å²	63.9	9%	0.094	37%	0.371	C	S	.	.	H	α-helix	trans	-72.2	-25.9	167.7	-60.8	171.5	0	0	0	111.8	L483 I486 V489 I548 R549	L483-L552 HydrophobicContact CB-CD2 4.17Å; L483-L552 HydrophobicContact CD2-CD2 4.35Å; L483-L552 WeakPolarHBondContact O-CD2 3.37Å; I486-L552 HydrophobicContact CB-CD2 4.2Å; I486-L552 HydrophobicContact CG2-CD1 4.13Å; I486-L552 HydrophobicContact CG2-CD2 4.37Å; V489-L552 HydrophobicContact CG2-CD1 3.86Å; I548-L552 HydrophobicContact CG2-CD1 4.21Å; I548-L552 HydrophobicContact CG2-CG 4.44Å; I548-L552 WeakPolarHBondContact O-CG 3.46Å; I548-L552 PolarHBondContact O-N 3.4Å; R549-L552 PolarHBondContact O-N 2.94Å
553	M	65.8	Low	59.5	Low	57 Å²	57	64.2 Å²	64.2	28%	0.281	39%	0.386	S	S	.	.	S	Bend	trans	-125.5	59.9	178	-59.8	-166	81.6	0	0	113.8	R549 Q550 A551 V555 T556 D590 A592	R549-M553 PolarHBondContact O-N 2.85Å; Q550-M553 CarbonylContact O-C 3.56Å; Q550-M553 PolarHBondContact O-N 2.88Å; A551-M553 VanDerWaalsContact C-N 3.31Å; M553-V555 PolarHBondContact O-N 2.83Å; M553-T556 WeakPolarHBondContact CB-OG1 3.43Å; M553-T556 PolarHBondContact O-N 2.79Å; M553-T556 PolarHBondContact O-OG1 2.83Å; M553-D590 WeakPolarHBondContact CE-OD1 3.43Å; M553-A592 HydrophobicContact CE-CB 4.02Å; M553-A592 HydrophobicContact CG-CB 3.35Å; M553-A592 HydrophobicContact SD-CB 3.8Å
554	P	55.3	Low	56.9	Low	46 Å²	46	67.5 Å²	67.5	30%	0.299	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-3.4	-165.1	30.5	-37.4	0	0	0	115	Q550 A551 S599	Q550-P554 VanDerWaalsContact O-CA 3.25Å; Q550-P554 WeakPolarHBondContact O-CA 3.2Å; Q550-P554 VanDerWaalsContact O-N 3.13Å; A551-P554 WeakPolarHBondContact O-CD 3.35Å; P554-S599 WeakPolarHBondContact CB-OG 3.24Å
555	V	51	Low	54.2	Low	32 Å²	32	72.4 Å²	72.4	19%	0.194	45%	0.451	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-26.5	-176.2	-154.8	0	0	0	0	112.2	M553 I597 Y612 V627 R668	M553-V555 PolarHBondContact O-N 2.83Å; V555-I597 HydrophobicContact CG2-CD1 4.38Å; V555-I597 HydrophobicContact CG2-CG2 3.98Å; V555-Y612 HydrophobicContact CG1-CE2 4.33Å; V555-V627 HydrophobicContact CG1-CG1 4.34Å; V555-R668 PolarHBondContact O-NH1 3.01Å; V555-R668 PolarHBondContact O-NH2 3.26Å
556	T	47.4	Very low	51.3	Low	63 Å²	63	74.6 Å²	74.6	39%	0.387	48%	0.482	S	S	.	.	S	Bend	trans	-75.2	131.1	-176.3	22.5	0	0	0	0	112.1	M553	M553-T556 WeakPolarHBondContact CB-OG1 3.43Å; M553-T556 PolarHBondContact O-N 2.79Å; M553-T556 PolarHBondContact O-OG1 2.83Å
557	P	35.1	Very low	48.7	Very low	100 Å²	100	79 Å²	79	65%	0.649	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-60.2	158.5	168.1	-18.9	32.2	0	0	0	111.1
558	Q	32.5	Very low	46.4	Very low	114 Å²	114	82.4 Å²	82.4	53%	0.533	54%	0.54	S	S	.	.	P	Polyproline II helix	trans	-65.8	140.1	170.7	-60.5	-147.7	27.5	0	0	110.1	K546 S560	K546-Q558 VanDerWaalsContact CE-OE1 3.26Å; Q558-S560 PolarHBondContact O-N 3.45Å
559	P	30	Very low	43.6	Very low	111 Å²	111	93.3 Å²	93.3	72%	0.721	58%	0.581	S	S	*	*	P	Polyproline II helix	trans	-57.8	131.5	161.6	26.4	-33.1	0	0	0	108.2	V561	P559-V561 PolarHBondContact O-N 3.29Å
560	S	25	Very low	41.3	Very low	116 Å²	116	96.8 Å²	96.8	81%	0.811	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-58.6	137.1	176.8	46.6	0	0	0	0	110.1	Q558 A562	Q558-S560 PolarHBondContact O-N 3.45Å; S560-A562 PolarHBondContact O-N 2.95Å
561	V	28.4	Very low	39.1	Very low	139 Å²	139	102.5 Å²	102.5	84%	0.842	63%	0.633	S	S	*	*			trans	-57	108.9	-174.8	-179.4	0	0	0	0	110.1	P559 S563	P559-V561 PolarHBondContact O-N 3.29Å; V561-S563 PolarHBondContact O-N 3.32Å
562	A	25.3	Very low	36.9	Very low	91 Å²	91	111.6 Å²	111.6	75%	0.752	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-70.8	122.8	169.9	0	0	0	0	0	108.8	S560	S560-A562 PolarHBondContact O-N 2.95Å
563	S	28	Very low	34.8	Very low	119 Å²	119	117.8 Å²	117.8	83%	0.832	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-61.2	154.7	174.8	-62.1	0	0	0	0	111.6	V561	V561-S563 PolarHBondContact O-N 3.32Å
564	A	29.3	Very low	33.1	Very low	98 Å²	98	122.6 Å²	122.6	81%	0.81	73%	0.726	S	S	*	*	S	Bend	trans	-64.3	147.5	-171.8	0	0	0	0	0	114.6
565	A	31.8	Very low	31.8	Very low	107 Å²	107	124.9 Å²	124.9	88%	0.884	74%	0.743	S	S	*	*			trans	44.2	101	152.6	0	0	0	0	0	118.8
566	G	26.3	Very low	30.7	Very low	76 Å²	76	129.4 Å²	129.4	78%	0.784	77%	0.765	S	S	*	*			trans	-174.4	99.9	165.5	0	0	0	0	0	114.8
567	Q	29.2	Very low	29.8	Very low	197 Å²	197	130.3 Å²	130.3	92%	0.921	77%	0.774	S	S	*	*			trans	35	116.1	157.9	-64.6	179.8	-12.4	0	0	119.1
568	G	35.8	Very low	29.9	Very low	81 Å²	81	126.5 Å²	126.5	84%	0.835	75%	0.748	S	S	*	*			trans	-66.3	144.7	176.8	0	0	0	0	0	114.8
569	R	28.5	Very low	29.7	Very low	230 Å²	230	126.8 Å²	126.8	87%	0.868	76%	0.762	S	S	*	*			trans	-141.5	146	159.4	-81.2	-174.4	171.9	166.7	-1.1	108.7	H571	R569-H571 PolarHBondContact O-N 3.26Å; R569-H571 VanDerWaalsContact O-N 3.09Å
570	D	33.5	Very low	30.1	Very low	163 Å²	163	124 Å²	124	87%	0.872	74%	0.743	S	S	*	*			trans	-65.5	107.2	-171.8	-52.7	-90.8	0	0	0	112.5	K572	D570-K572 PolarHBondContact O-N 3.45Å; D570-K572 VanDerWaalsContact O-N 3.1Å
571	H	30.2	Very low	30.6	Very low	189 Å²	189	123 Å²	123	88%	0.875	74%	0.736	S	S	*	*			trans	-72.7	98.3	159.3	-94.3	-94.2	0	0	0	108.6	R569 E573	R569-H571 PolarHBondContact O-N 3.26Å; R569-H571 VanDerWaalsContact O-N 3.09Å; H571-E573 PolarHBondContact O-N 3.4Å
572	K	31.7	Very low	31.2	Very low	196 Å²	196	123.9 Å²	123.9	85%	0.852	74%	0.736	S	S	*	*			trans	-64.3	91	160.6	-94.5	-173.1	171.4	-178.5	0	108.9	D570 L574	D570-K572 PolarHBondContact O-N 3.45Å; D570-K572 VanDerWaalsContact O-N 3.1Å; K572-L574 PolarHBondContact O-N 3.39Å
573	E	31.5	Very low	32.2	Very low	148 Å²	148	120.5 Å²	120.5	69%	0.692	71%	0.707	S	S	*	*			trans	-64.5	126.4	171.1	-169.7	160.7	-135.5	0	0	109.5	H571 S575	H571-E573 PolarHBondContact O-N 3.4Å; E573-S575 VanDerWaalsContact C-N 3.28Å; E573-S575 PolarHBondContact O-N 3.4Å
574	L	29	Very low	33.2	Very low	158 Å²	158	122.6 Å²	122.6	83%	0.827	70%	0.703	S	S	*	*			trans	-81.7	78.4	174.4	-99.8	75	0	0	0	109.3	K572 I576	K572-L574 PolarHBondContact O-N 3.39Å; L574-I576 PolarHBondContact O-N 3.22Å
575	S	27.5	Very low	34.5	Very low	94 Å²	94	119 Å²	119	66%	0.657	67%	0.67	S	S	*	*			trans	-69.1	97.1	165.6	44.1	0	0	0	0	109.9	E573 S577	E573-S575 VanDerWaalsContact C-N 3.28Å; E573-S575 PolarHBondContact O-N 3.4Å; S575-S577 PolarHBondContact O-N 3.37Å
576	I	28.8	Very low	35.6	Very low	128 Å²	128	117 Å²	117	66%	0.656	64%	0.643	S	S	*	*			trans	-79.4	93.7	163.3	-60.5	176.6	0	0	0	106.4	L574	L574-I576 PolarHBondContact O-N 3.22Å
577	S	28.6	Very low	36.8	Very low	82 Å²	82	116.7 Å²	116.7	57%	0.573	62%	0.621	S	S	*	*			trans	-68.6	143	175.9	53.8	0	0	0	0	111.4	S575 E587	S575-S577 PolarHBondContact O-N 3.37Å; S577-E587 WeakPolarHBondContact CA-OE1 3.49Å; S577-E587 WeakPolarHBondContact CB-OE1 3.45Å; S577-E587 WeakPolarHBondContact CB-OE2 3.45Å
578	I	36.4	Very low	38	Very low	20 Å²	20	114.7 Å²	114.7	10%	0.103	62%	0.616	C	S	.	*			trans	-128.1	74.9	-176	-46.3	170	0	0	0	108.9	V580 I585 E587 R642	I578-V580 HydrophobicContact CG2-CG2 3.93Å; I578-V580 PolarHBondContact O-N 3.31Å; I578-V580 VanDerWaalsContact O-N 3.11Å; I578-I585 HydrophobicContact CB-CD1 4.47Å; I578-I585 HydrophobicContact CG2-CD1 4.45Å; I578-E587 PolarHBondContact N-OE1 2.97Å; I578-R642 VanDerWaalsContact CD1-CZ 3.49Å; I578-R642 VanDerWaalsContact CD1-NH2 3.34Å
579	S	30	Very low	39.3	Very low	120 Å²	120	113.7 Å²	113.7	84%	0.839	59%	0.594	S	S	*	*			trans	-70.8	104.7	171.2	46.6	0	0	0	0	110.9
580	V	36.7	Very low	41.3	Very low	51 Å²	51	106.5 Å²	106.5	31%	0.309	57%	0.572	S	S	.	*			trans	-112.6	125.6	165	-159	0	0	0	0	108.2	I578 I585	I578-V580 HydrophobicContact CG2-CG2 3.93Å; I578-V580 PolarHBondContact O-N 3.31Å; I578-V580 VanDerWaalsContact O-N 3.11Å; V580-I585 HydrophobicContact CG2-CD1 4.34Å
581	S	35.7	Very low	43.6	Very low	96 Å²	96	99 Å²	99	67%	0.671	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	156.9	-170	38.6	0	0	0	0	113.4	C583	S581-C583 VanDerWaalsContact C-N 3.26Å; S581-C583 PolarHBondContact O-N 2.9Å
582	N	41.4	Very low	45.8	Very low	158 Å²	158	90.6 Å²	90.6	85%	0.845	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	-10.4	177	-55.3	2	0	0	0	117.1
583	C	45.3	Very low	48	Very low	20 Å²	20	84.1 Å²	84.1	14%	0.135	48%	0.475	C	S	.	.	S	Bend	trans	-141.7	102.1	160.6	168.2	0	0	0	0	109	S581 I585 Q649	S581-C583 VanDerWaalsContact C-N 3.26Å; S581-C583 PolarHBondContact O-N 2.9Å; C583-I585 PolarHBondContact O-N 3.48Å; C583-I585 VanDerWaalsContact O-N 3.14Å; C583-Q649 HydrophobicContact CB-CG 4.03Å; C583-Q649 PolarHBondContact O-NE2 3.41Å
584	Q	49.9	Very low	50.4	Low	162 Å²	162	79 Å²	79	76%	0.757	45%	0.452	S	S	*	.			trans	-61.2	115.5	-177.2	-67.2	-178.6	-5.2	0	0	110.7	Q586	Q584-Q586 PolarHBondContact O-N 3.02Å
585	I	55.9	Low	53	Low	23 Å²	23	71.8 Å²	71.8	12%	0.118	41%	0.414	C	S	.	.			trans	-67.1	115.6	165.8	-66.2	173.9	0	0	0	106.5	I578 V580 C583 E587 M662 E664	I578-I585 HydrophobicContact CB-CD1 4.47Å; I578-I585 HydrophobicContact CG2-CD1 4.45Å; V580-I585 HydrophobicContact CG2-CD1 4.34Å; C583-I585 PolarHBondContact O-N 3.48Å; C583-I585 VanDerWaalsContact O-N 3.14Å; I585-E587 VanDerWaalsContact C-N 3.28Å; I585-E587 HydrophobicContact CG2-CG 4.26Å; I585-E587 PolarHBondContact O-N 3.16Å; I585-M662 HydrophobicContact CD1-CE 3.8Å; I585-M662 HydrophobicContact CD1-SD 4.19Å; I585-M662 HydrophobicContact CG1-CB 4.43Å; I585-M662 HydrophobicContact CG1-CE 4.33Å; I585-M662 HydrophobicContact CG1-CG 4.47Å; I585-M662 HydrophobicContact CG1-SD 4.39Å; I585-M662 HydrophobicContact CG2-CE 4.46Å; I585-E664 HydrophobicContact CG2-CB 4.27Å
586	Q	55.7	Low	55.8	Low	66 Å²	66	67.3 Å²	67.3	31%	0.308	38%	0.382	S	S	.	.			trans	-83.8	75.2	-175.3	-65.9	-167.5	-4.6	0	0	110.7	Q584 N588 V589 M662 F663	Q584-Q586 PolarHBondContact O-N 3.02Å; Q586-N588 PolarHBondContact O-N 2.95Å; Q586-V589 HydrophobicContact CB-CB 3.86Å; Q586-V589 HydrophobicContact CB-CG2 3.85Å; Q586-V589 PolarHBondContact O-N 2.77Å; Q586-M662 PolarHBondContact N-O 3.49Å; Q586-F663 HydrophobicContact CB-CD1 4.03Å; Q586-F663 HydrophobicContact CB-CE1 3.96Å; Q586-F663 HydrophobicContact CG-CE1 4.47Å
587	E	52.6	Low	58.5	Low	69 Å²	69	61.7 Å²	61.7	32%	0.322	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	133.8	171.2	-64.6	177.7	-158.1	0	0	110.2	S577 I578 I585 V589	S577-E587 WeakPolarHBondContact CA-OE1 3.49Å; S577-E587 WeakPolarHBondContact CB-OE1 3.45Å; S577-E587 WeakPolarHBondContact CB-OE2 3.45Å; I578-E587 PolarHBondContact N-OE1 2.97Å; I585-E587 VanDerWaalsContact C-N 3.28Å; I585-E587 HydrophobicContact CG2-CG 4.26Å; I585-E587 PolarHBondContact O-N 3.16Å; E587-V589 PolarHBondContact O-N 3.21Å
588	N	53.4	Low	61.1	Low	155 Å²	155	58.7 Å²	58.7	83%	0.829	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	6.5	-178.5	-45.7	-68.9	0	0	0	116.8	Q586	Q586-N588 PolarHBondContact O-N 2.95Å
589	V	62.3	Low	62.9	Low	60 Å²	60	59.8 Å²	59.8	36%	0.364	34%	0.34	S	S	.	.			trans	-92.2	122.3	169.1	-178	0	0	0	0	109.8	Q586 E587 I591 I594 F663	Q586-V589 HydrophobicContact CB-CB 3.86Å; Q586-V589 HydrophobicContact CB-CG2 3.85Å; Q586-V589 PolarHBondContact O-N 2.77Å; E587-V589 PolarHBondContact O-N 3.21Å; V589-I591 PolarHBondContact O-N 2.75Å; V589-I594 HydrophobicContact CG1-CD1 4.07Å; V589-F663 HydrophobicContact CB-CE1 4.34Å; V589-F663 HydrophobicContact CG1-CE1 4.08Å
590	D	71	Confident	65.1	Low	78 Å²	78	58 Å²	58	42%	0.417	32%	0.321	S	S	.	.			trans	-66.8	113.8	170.8	178.2	10.7	0	0	0	110	M553 A592 S593	M553-D590 WeakPolarHBondContact CE-OD1 3.43Å; D590-A592 PolarHBondContact O-N 2.89Å; D590-A592 VanDerWaalsContact OD1-CB 3.25Å; D590-A592 WeakPolarHBondContact OD1-CB 3.37Å; D590-A592 PolarHBondContact OD1-N 2.77Å; D590-S593 WeakPolarHBondContact O-CB 3.07Å; D590-S593 PolarHBondContact O-N 2.87Å; D590-S593 PolarHBondContact O-OG 3.22Å
591	I	81.8	Confident	67.1	Low	6 Å²	6	58 Å²	58	3%	0.031	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-49.1	-33	173.7	-175.6	170.7	0	0	0	112.2	V589 S593 I594 Y595 I625 F663 F670 V672	V589-I591 PolarHBondContact O-N 2.75Å; I591-S593 PolarHBondContact O-N 3.41Å; I591-I594 PolarHBondContact O-N 3.29Å; I591-I594 VanDerWaalsContact O-N 3.08Å; I591-Y595 HydrophobicContact CG1-CD2 3.97Å; I591-Y595 PolarHBondContact O-N 3.48Å; I591-I625 HydrophobicContact CD1-CG2 4.34Å; I591-F663 HydrophobicContact CB-CB 4.15Å; I591-F663 HydrophobicContact CB-CD1 4.1Å; I591-F663 HydrophobicContact CB-CD2 3.91Å; I591-F663 HydrophobicContact CB-CE2 4.33Å; I591-F663 HydrophobicContact CB-CG 3.78Å; I591-F663 HydrophobicContact CD1-CB 4.5Å; I591-F663 HydrophobicContact CD1-CD2 3.61Å; I591-F663 HydrophobicContact CD1-CE2 4.13Å; I591-F663 HydrophobicContact CD1-CG 4.24Å; I591-F663 HydrophobicContact CG1-CD2 3.63Å; I591-F663 HydrophobicContact CG1-CE2 3.83Å; I591-F663 HydrophobicContact CG1-CG 4.06Å; I591-F663 HydrophobicContact CG1-CZ 4.43Å; I591-F670 HydrophobicContact CD1-CB 3.47Å; I591-F670 VanDerWaalsContact CD1-CB 3.47Å; I591-F670 HydrophobicContact CD1-CD1 3.71Å; I591-F670 HydrophobicContact CD1-CG 3.68Å; I591-F670 HydrophobicContact CG2-CD1 4.34Å; I591-F670 HydrophobicContact CG2-CD2 4.44Å; I591-F670 HydrophobicContact CG2-CE1 4.29Å; I591-F670 HydrophobicContact CG2-CE2 4.39Å; I591-F670 HydrophobicContact CG2-CG 4.43Å; I591-F670 HydrophobicContact CG2-CZ 4.31Å; I591-V672 HydrophobicContact CD1-CG2 4.29Å
592	A	77	Confident	69.1	Low	12 Å²	12	56.6 Å²	56.6	10%	0.099	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-69.7	-13.3	-178.8	0	0	0	0	0	114	M553 D590 Y595 R617	M553-A592 HydrophobicContact CE-CB 4.02Å; M553-A592 HydrophobicContact CG-CB 3.35Å; M553-A592 HydrophobicContact SD-CB 3.8Å; D590-A592 PolarHBondContact O-N 2.89Å; D590-A592 VanDerWaalsContact OD1-CB 3.25Å; D590-A592 WeakPolarHBondContact OD1-CB 3.37Å; D590-A592 PolarHBondContact OD1-N 2.77Å; A592-Y595 WeakPolarHBondContact CA-O 3.23Å; A592-R617 VanDerWaalsContact O-CZ 3.28Å; A592-R617 PolarHBondContact O-NE 3.41Å; A592-R617 PolarHBondContact O-NH2 2.88Å
593	S	77.4	Confident	70.7	Confident	60 Å²	60	52.9 Å²	52.9	42%	0.42	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-77	-23.9	170.6	68	0	0	0	0	113.2	D590 I591	D590-S593 WeakPolarHBondContact O-CB 3.07Å; D590-S593 PolarHBondContact O-N 2.87Å; D590-S593 PolarHBondContact O-OG 3.22Å; I591-S593 PolarHBondContact O-N 3.41Å
594	I	81	Confident	71.8	Confident	40 Å²	40	53.2 Å²	53.2	21%	0.205	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-35.8	-176.3	-54.7	178.4	0	0	0	111.4	V589 I591 R617 F663	V589-I594 HydrophobicContact CG1-CD1 4.07Å; I591-I594 PolarHBondContact O-N 3.29Å; I591-I594 VanDerWaalsContact O-N 3.08Å; I594-R617 WeakPolarHBondContact O-CB 3.29Å; I594-R617 WeakPolarHBondContact O-CG 3.2Å; I594-R617 PolarHBondContact O-N 2.85Å; I594-F663 HydrophobicContact CD1-CE1 4.12Å; I594-F663 HydrophobicContact CD1-CZ 3.98Å
595	Y	85.3	Confident	72.4	Confident	7 Å²	7	48.5 Å²	48.5	3%	0.027	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	150.4	-175.3	-59.6	-86.9	0	0	0	112.7	I591 A592 K615 H616 R617 V623 E660 C661 F663 V672	I591-Y595 HydrophobicContact CG1-CD2 3.97Å; I591-Y595 PolarHBondContact O-N 3.48Å; A592-Y595 WeakPolarHBondContact CA-O 3.23Å; Y595-K615 CarbonylContact C-O 3.58Å; Y595-K615 WeakPolarHBondContact CA-O 3.46Å; Y595-H616 HydrophobicContact CD1-CB 3.87Å; Y595-H616 HydrophobicContact CE1-CB 3.64Å; Y595-H616 AromaticContact CE1-CD2 3.74Å; Y595-H616 AromaticContact CE1-CG 3.84Å; Y595-H616 AromaticContact CZ-CD2 3.88Å; Y595-R617 PolarHBondContact O-NE 3.15Å; Y595-R617 PolarHBondContact O-NH2 3.44Å; Y595-V623 HydrophobicContact CD1-CG2 3.85Å; Y595-V623 HydrophobicContact CE1-CG1 4.16Å; Y595-V623 HydrophobicContact CE1-CG2 4.25Å; Y595-E660 PolarHBondContact OH-OE1 3.16Å; Y595-E660 VanDerWaalsContact OH-OE1 3.09Å; Y595-C661 PolarHBondContact OH-SG 2.82Å; Y595-F663 AromaticContact CD2-CE2 3.81Å; Y595-F663 HydrophobicContact CD2-CE2 3.81Å; Y595-F663 HydrophobicContact CD2-CZ 4.1Å; Y595-F663 AromaticContact CE2-CE2 3.54Å; Y595-F663 HydrophobicContact CE2-CE2 3.54Å; Y595-F663 AromaticContact CE2-CZ 3.76Å; Y595-F663 HydrophobicContact CE2-CZ 3.76Å; Y595-V672 HydrophobicContact CD1-CG1 4.28Å; Y595-V672 HydrophobicContact CD2-CG2 4.49Å; Y595-V672 HydrophobicContact CE1-CG1 3.74Å; Y595-V672 HydrophobicContact CE2-CG2 4.31Å
596	Q	86.4	Confident	72.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.1	162.3	178.8	64.1	50.3	0	0	108.7	A551 F598 G614 K615	A551-Q596 PolarHBondContact O-NE2 3.13Å; A551-Q596 VanDerWaalsContact O-NE2 3.17Å; Q596-F598 HydrophobicContact CB-CE1 4.32Å; Q596-F598 HydrophobicContact CG-CD1 3.89Å; Q596-F598 HydrophobicContact CG-CE1 3.5Å; Q596-F598 VanDerWaalsContact CG-CE1 3.5Å; Q596-F598 HydrophobicContact CG-CZ 4.3Å; Q596-G614 CarbonylContact O-C 3.51Å; Q596-G614 WeakPolarHBondContact O-CA 3.23Å; Q596-K615 PolarHBondContact N-O 3.13Å; Q596-K615 PolarHBondContact O-N 2.79Å
597	I	85.5	Confident	72	Confident	11 Å²	11	51.4 Å²	51.4	6%	0.056	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	131.9	170.5	-55.8	172.9	0	0	0	108.3	V555 Y612 I625 V627 F670	V555-I597 HydrophobicContact CG2-CD1 4.38Å; V555-I597 HydrophobicContact CG2-CG2 3.98Å; I597-Y612 HydrophobicContact CG2-CD2 4.23Å; I597-Y612 HydrophobicContact CG2-CG 3.92Å; I597-I625 HydrophobicContact CD1-CG2 4.36Å; I597-I625 HydrophobicContact CG1-CD1 3.84Å; I597-I625 HydrophobicContact CG1-CG2 4.47Å; I597-V627 HydrophobicContact CD1-CG2 4.4Å; I597-F670 HydrophobicContact CD1-CD1 3.87Å; I597-F670 HydrophobicContact CD1-CE1 3.72Å
598	F	82.9	Confident	72.1	Confident	18 Å²	18	48.5 Å²	48.5	8%	0.079	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	97.8	175	-54.7	-49.5	0	0	0	109.7	Q596 D600 E601 Y612 G613 K615	Q596-F598 HydrophobicContact CB-CE1 4.32Å; Q596-F598 HydrophobicContact CG-CD1 3.89Å; Q596-F598 HydrophobicContact CG-CE1 3.5Å; Q596-F598 VanDerWaalsContact CG-CE1 3.5Å; Q596-F598 HydrophobicContact CG-CZ 4.3Å; F598-D600 PolarHBondContact O-N 3.08Å; F598-E601 HydrophobicContact CB-CB 3.83Å; F598-E601 PolarHBondContact O-N 2.92Å; F598-Y612 WeakPolarHBondContact O-CD1 3.48Å; F598-G613 WeakPolarHBondContact CB-O 3.24Å; F598-G613 PolarHBondContact N-O 3.19Å; F598-K615 HydrophobicContact CE2-CB 4.43Å; F598-K615 HydrophobicContact CE2-CG 4.06Å; F598-K615 HydrophobicContact CZ-CB 4.16Å; F598-K615 HydrophobicContact CZ-CD 4.18Å; F598-K615 HydrophobicContact CZ-CG 4.04Å
599	S	74.6	Confident	72.7	Confident	43 Å²	43	41.7 Å²	41.7	30%	0.301	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	-20.2	-174.5	52.2	0	0	0	0	114.8	P554 Y612	P554-S599 WeakPolarHBondContact CB-OG 3.24Å; S599-Y612 WeakPolarHBondContact O-CE1 3.14Å
600	D	75.4	Confident	73.3	Confident	82 Å²	82	41.6 Å²	41.6	44%	0.439	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	-8.4	173.4	69.3	-81.1	0	0	0	113.9	S463 K464 F598	S463-D600 WeakPolarHBondContact CB-OD1 3.38Å; S463-D600 PolarHBondContact OG-OD1 3.48Å; K464-D600 WeakPolarHBondContact CE-OD1 3.48Å; K464-D600 WeakPolarHBondContact CE-OD2 3.41Å; K464-D600 IonicContact NZ-OD1 3.33Å; K464-D600 IonicContact NZ-OD2 2.8Å; K464-D600 PolarHBondContact NZ-OD2 3.1Å; F598-D600 PolarHBondContact O-N 3.08Å
601	E	78	Confident	73.8	Confident	53 Å²	53	39.3 Å²	39.3	25%	0.248	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	72.1	178	-163	-178.8	151.8	0	0	110.7	F598 L603 Y612 G613 K675	F598-E601 HydrophobicContact CB-CB 3.83Å; F598-E601 PolarHBondContact O-N 2.92Å; E601-L603 HydrophobicContact CG-CD2 4.23Å; E601-L603 PolarHBondContact O-N 3.23Å; E601-Y612 CarbonylContact O-C 3.49Å; E601-Y612 WeakPolarHBondContact O-CA 3.49Å; E601-G613 PolarHBondContact O-N 2.84Å; E601-K675 WeakPolarHBondContact OE1-CE 3.35Å; E601-K675 IonicContact OE1-NZ 2.85Å; E601-K675 PolarHBondContact OE1-NZ 3.1Å
602	V	77.6	Confident	73.9	Confident	65 Å²	65	40.2 Å²	40.2	39%	0.394	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	111	172.7	176.6	0	0	0	0	109.2	I610 Y612	V602-I610 HydrophobicContact CG1-CG2 3.78Å; V602-I610 HydrophobicContact CG2-CG2 4.07Å; V602-Y612 HydrophobicContact CG2-CD1 3.97Å; V602-Y612 HydrophobicContact CG2-CE1 3.65Å
603	L	76.6	Confident	74.4	Confident	81 Å²	81	39.7 Å²	39.7	42%	0.424	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-29.5	174.8	-57.9	177.7	0	0	0	111.7	E601 V611 A624 K675	E601-L603 HydrophobicContact CG-CD2 4.23Å; E601-L603 PolarHBondContact O-N 3.23Å; L603-V611 HydrophobicContact CB-CG1 4.23Å; L603-V611 HydrophobicContact CD1-CG1 4.47Å; L603-V611 PolarHBondContact N-O 2.96Å; L603-A624 HydrophobicContact CD1-CB 4.01Å; L603-K675 HydrophobicContact CD1-CG 4.16Å
604	G	67.6	Low	75	Confident	26 Å²	26	36.8 Å²	36.8	27%	0.268	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.6	169.8	-179.6	0	0	0	0	0	113.9	V611	G604-V611 PolarHBondContact N-O 2.81Å; G604-V611 PolarHBondContact O-N 2.91Å
605	S	61.8	Low	75.3	Confident	63 Å²	63	37.4 Å²	37.4	44%	0.441	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	109.9	175.8	64	0	0	0	0	111	R215	R215-S605 PolarHBondContact NH1-OG 2.87Å
606	G	52.8	Low	75.4	Confident	44 Å²	44	38.7 Å²	38.7	45%	0.454	23%	0.225	S	C	.	.			trans	-96.5	-170.4	179.4	0	0	0	0	0	112.9	F608 G609	G606-F608 VanDerWaalsContact C-N 3.3Å; G606-F608 PolarHBondContact O-N 2.79Å; G606-G609 PolarHBondContact N-O 2.83Å
607	Q	50.8	Low	75.2	Confident	106 Å²	106	39.4 Å²	39.4	50%	0.495	23%	0.228	S	C	.	.	S	Bend	trans	-62.8	-38.5	173.6	-178.7	177.6	-50.9	0	0	112.1	F633	Q607-F633 VanDerWaalsContact O-CZ 3.28Å; Q607-F633 WeakPolarHBondContact O-CZ 3.48Å
608	F	54.7	Low	74.9	Confident	8 Å²	8	48 Å²	48	4%	0.035	27%	0.265	C	S	.	.	S	Bend	trans	-93.2	-15.3	-169.7	-52	-71.1	0	0	0	114.5	G606 I628 F633 Q637 F744	G606-F608 VanDerWaalsContact C-N 3.3Å; G606-F608 PolarHBondContact O-N 2.79Å; F608-I628 HydrophobicContact CB-CD1 4.41Å; F608-I628 WeakPolarHBondContact O-CG1 3.43Å; F608-I628 WeakPolarHBondContact O-CG2 3.47Å; F608-F633 WeakPolarHBondContact O-CE2 3.41Å; F608-Q637 HydrophobicContact CD1-CB 4.39Å; F608-Q637 HydrophobicContact CE1-CB 4.38Å; F608-Q637 HydrophobicContact CE1-CG 4.42Å; F608-F744 HydrophobicContact CE2-CZ 4.49Å
609	G	66.1	Low	75	Confident	12 Å²	12	50.6 Å²	50.6	12%	0.124	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.5	-178	-170.6	0	0	0	0	0	114.9	G606 V627	G606-G609 PolarHBondContact N-O 2.83Å; G609-V627 CarbonylContact C-O 3.45Å; G609-V627 WeakPolarHBondContact CA-O 3.44Å
610	I	75.1	Confident	75.4	Confident	59 Å²	59	50.2 Å²	50.2	30%	0.303	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.1	176.2	-57.6	175.1	0	0	0	108	V602 Y612 V627	V602-I610 HydrophobicContact CG1-CG2 3.78Å; V602-I610 HydrophobicContact CG2-CG2 4.07Å; I610-Y612 HydrophobicContact CB-CD2 4.34Å; I610-Y612 HydrophobicContact CB-CE2 3.69Å; I610-Y612 HydrophobicContact CG2-CD1 4.43Å; I610-Y612 HydrophobicContact CG2-CD2 4.02Å; I610-Y612 HydrophobicContact CG2-CE1 4Å; I610-Y612 HydrophobicContact CG2-CE2 3.55Å; I610-Y612 HydrophobicContact CG2-CG 4.45Å; I610-V627 PolarHBondContact N-O 2.94Å; I610-V627 PolarHBondContact O-N 2.8Å
611	V	81.4	Confident	76.1	Confident	30 Å²	30	51.6 Å²	51.6	18%	0.182	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	119.4	174.1	-172.7	0	0	0	0	108	L603 G604 A624 I625 K626	L603-V611 HydrophobicContact CB-CG1 4.23Å; L603-V611 HydrophobicContact CD1-CG1 4.47Å; L603-V611 PolarHBondContact N-O 2.96Å; G604-V611 PolarHBondContact N-O 2.81Å; G604-V611 PolarHBondContact O-N 2.91Å; V611-A624 HydrophobicContact CG1-CB 4.05Å; V611-I625 WeakPolarHBondContact CA-O 3.42Å; V611-K626 HydrophobicContact CG2-CB 4.14Å; V611-K626 HydrophobicContact CG2-CG 4.07Å
612	Y	84.2	Confident	76.7	Confident	25 Å²	25	52 Å²	52	10%	0.098	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	151.3	176.6	-65.8	-85.6	0	0	0	110.9	V555 I597 F598 S599 E601 V602 I610 I625 V627	V555-Y612 HydrophobicContact CG1-CE2 4.33Å; I597-Y612 HydrophobicContact CG2-CD2 4.23Å; I597-Y612 HydrophobicContact CG2-CG 3.92Å; F598-Y612 WeakPolarHBondContact O-CD1 3.48Å; S599-Y612 WeakPolarHBondContact O-CE1 3.14Å; E601-Y612 CarbonylContact O-C 3.49Å; E601-Y612 WeakPolarHBondContact O-CA 3.49Å; V602-Y612 HydrophobicContact CG2-CD1 3.97Å; V602-Y612 HydrophobicContact CG2-CE1 3.65Å; I610-Y612 HydrophobicContact CB-CD2 4.34Å; I610-Y612 HydrophobicContact CB-CE2 3.69Å; I610-Y612 HydrophobicContact CG2-CD1 4.43Å; I610-Y612 HydrophobicContact CG2-CD2 4.02Å; I610-Y612 HydrophobicContact CG2-CE1 4Å; I610-Y612 HydrophobicContact CG2-CE2 3.55Å; I610-Y612 HydrophobicContact CG2-CG 4.45Å; Y612-I625 PolarHBondContact N-O 2.84Å; Y612-I625 PolarHBondContact O-N 3.39Å; Y612-V627 HydrophobicContact CD2-CB 4.25Å; Y612-V627 HydrophobicContact CD2-CG2 3.69Å; Y612-V627 HydrophobicContact CE2-CB 4.17Å; Y612-V627 HydrophobicContact CE2-CG2 4.02Å
613	G	87.3	Confident	77.3	Confident	0 Å²	0	49 Å²	49	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	148.9	159.8	0	0	0	0	0	110.3	F598 E601	F598-G613 WeakPolarHBondContact CB-O 3.24Å; F598-G613 PolarHBondContact N-O 3.19Å; E601-G613 PolarHBondContact O-N 2.84Å
614	G	89.1	Confident	78	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	178.4	174.3	0	0	0	0	0	112	Q596 D622 V623	Q596-G614 CarbonylContact O-C 3.51Å; Q596-G614 WeakPolarHBondContact O-CA 3.23Å; G614-D622 WeakPolarHBondContact O-CA 3.34Å; G614-V623 PolarHBondContact N-O 2.97Å; G614-V623 PolarHBondContact O-N 3.03Å
615	K	88.2	Confident	79	Confident	52 Å²	52	44.3 Å²	44.3	23%	0.226	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	139.9	171.6	-84.5	-177.5	-179.2	-77.3	0	111.5	Y595 Q596 F598 R617 G620 R621 D622	Y595-K615 CarbonylContact C-O 3.58Å; Y595-K615 WeakPolarHBondContact CA-O 3.46Å; Q596-K615 PolarHBondContact N-O 3.13Å; Q596-K615 PolarHBondContact O-N 2.79Å; F598-K615 HydrophobicContact CE2-CB 4.43Å; F598-K615 HydrophobicContact CE2-CG 4.06Å; F598-K615 HydrophobicContact CZ-CB 4.16Å; F598-K615 HydrophobicContact CZ-CD 4.18Å; F598-K615 HydrophobicContact CZ-CG 4.04Å; K615-R617 PolarHBondContact O-N 2.73Å; K615-G620 WeakPolarHBondContact CD-O 3.44Å; K615-G620 PolarHBondContact NZ-O 2.84Å; K615-R621 CarbonylContact C-O 3.56Å; K615-R621 WeakPolarHBondContact CA-O 3.37Å; K615-D622 WeakPolarHBondContact CE-OD1 3.39Å; K615-D622 WeakPolarHBondContact CG-OD1 3.33Å; K615-D622 IonicContact NZ-OD1 3.21Å; K615-D622 PolarHBondContact NZ-OD1 3.09Å; K615-D622 VanDerWaalsContact NZ-OD1 3.11Å; K615-D622 IonicContact NZ-OD2 2.89Å; K615-D622 PolarHBondContact NZ-OD2 3.48Å
616	H	86.5	Confident	80.1	Confident	35 Å²	35	41.8 Å²	41.8	16%	0.162	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	119.4	162.8	-174.5	-37.5	0	0	0	108.5	Y595 K618 S619 G620 R621 E660	Y595-H616 HydrophobicContact CD1-CB 3.87Å; Y595-H616 HydrophobicContact CE1-CB 3.64Å; Y595-H616 AromaticContact CE1-CD2 3.74Å; Y595-H616 AromaticContact CE1-CG 3.84Å; Y595-H616 AromaticContact CZ-CD2 3.88Å; H616-K618 PolarHBondContact ND1-N 2.7Å; H616-K618 PolarHBondContact O-N 3.04Å; H616-S619 WeakPolarHBondContact CB-OG 3.09Å; H616-G620 WeakPolarHBondContact O-CA 3.48Å; H616-G620 PolarHBondContact O-N 3.11Å; H616-R621 PolarHBondContact N-O 2.93Å; H616-E660 IonicContact CD2-OE1 2.78Å
617	R	82.8	Confident	81.5	Confident	15 Å²	15	40.1 Å²	40.1	6%	0.057	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-52.4	-171	-65.9	178.5	-176.4	-70.5	-8.8	113.3	L483 I486 L487 A592 I594 Y595 K615 S619	L483-R617 PolarHBondContact O-NH1 3.26Å; I486-R617 WeakPolarHBondContact O-CD 3.47Å; I486-R617 PolarHBondContact O-NH1 3.04Å; L487-R617 HydrophobicContact CD2-CB 3.93Å; A592-R617 VanDerWaalsContact O-CZ 3.28Å; A592-R617 PolarHBondContact O-NE 3.41Å; A592-R617 PolarHBondContact O-NH2 2.88Å; I594-R617 WeakPolarHBondContact O-CB 3.29Å; I594-R617 WeakPolarHBondContact O-CG 3.2Å; I594-R617 PolarHBondContact O-N 2.85Å; Y595-R617 PolarHBondContact O-NE 3.15Å; Y595-R617 PolarHBondContact O-NH2 3.44Å; K615-R617 PolarHBondContact O-N 2.73Å; R617-S619 PolarHBondContact O-N 2.81Å
618	K	79.5	Confident	82.6	Confident	191 Å²	191	35.5 Å²	35.5	83%	0.83	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-37.1	-176.2	-168.9	-180	179.2	-178.2	0	114.4	H616	H616-K618 PolarHBondContact ND1-N 2.7Å; H616-K618 PolarHBondContact O-N 3.04Å
619	S	85.1	Confident	83.3	Confident	72 Å²	72	37 Å²	37	50%	0.503	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	-13.2	-175.8	59.7	0	0	0	0	113.9	H616 R617 R621	H616-S619 WeakPolarHBondContact CB-OG 3.09Å; R617-S619 PolarHBondContact O-N 2.81Å; S619-R621 PolarHBondContact O-N 3.4Å; S619-R621 VanDerWaalsContact O-N 3.15Å
620	G	82.4	Confident	83.4	Confident	36 Å²	36	39.2 Å²	39.2	37%	0.371	20%	0.199	S	C	.	.			trans	70.1	-2.5	-174.7	0	0	0	0	0	115	K615 H616	K615-G620 WeakPolarHBondContact CD-O 3.44Å; K615-G620 PolarHBondContact NZ-O 2.84Å; H616-G620 WeakPolarHBondContact O-CA 3.48Å; H616-G620 PolarHBondContact O-N 3.11Å
621	R	89.9	Confident	82.7	Confident	110 Å²	110	43.2 Å²	43.2	42%	0.415	22%	0.218	S	C	.	.			trans	-66.8	136.1	-177.5	176.5	166.7	54.3	68.9	0.6	111.4	K615 H616 S619 E660	K615-R621 CarbonylContact C-O 3.56Å; K615-R621 WeakPolarHBondContact CA-O 3.37Å; H616-R621 PolarHBondContact N-O 2.93Å; S619-R621 PolarHBondContact O-N 3.4Å; S619-R621 VanDerWaalsContact O-N 3.15Å; R621-E660 IonicContact CZ-OE1 3.2Å; R621-E660 IonicContact CZ-OE2 2.66Å; R621-E660 IonicContact NH1-OE1 3.62Å; R621-E660 IonicContact NH1-OE2 2.59Å; R621-E660 PolarHBondContact NH1-OE2 3.35Å; R621-E660 IonicContact NH2-OE1 2.9Å; R621-E660 PolarHBondContact NH2-OE1 2.81Å; R621-E660 IonicContact NH2-OE2 2.68Å; R621-E660 PolarHBondContact NH2-OE2 3.4Å
622	D	90.9	Very high	81.3	Confident	63 Å²	63	50.1 Å²	50.1	34%	0.337	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	142.4	174.3	-64.5	-80.6	0	0	0	111.9	G614 K615 K675	G614-D622 WeakPolarHBondContact O-CA 3.34Å; K615-D622 WeakPolarHBondContact CE-OD1 3.39Å; K615-D622 WeakPolarHBondContact CG-OD1 3.33Å; K615-D622 IonicContact NZ-OD1 3.21Å; K615-D622 PolarHBondContact NZ-OD1 3.09Å; K615-D622 VanDerWaalsContact NZ-OD1 3.11Å; K615-D622 IonicContact NZ-OD2 2.89Å; K615-D622 PolarHBondContact NZ-OD2 3.48Å; D622-K675 HydrophobicContact CB-CB 4.32Å; D622-K675 HydrophobicContact CB-CD 3.71Å
623	V	90.9	Very high	79.8	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	158.7	-178.9	-69.7	0	0	0	0	111.2	Y595 G614 I625 E660 V672 M673	Y595-V623 HydrophobicContact CD1-CG2 3.85Å; Y595-V623 HydrophobicContact CE1-CG1 4.16Å; Y595-V623 HydrophobicContact CE1-CG2 4.25Å; G614-V623 PolarHBondContact N-O 2.97Å; G614-V623 PolarHBondContact O-N 3.03Å; V623-I625 HydrophobicContact CG2-CD1 3.86Å; V623-I625 HydrophobicContact CG2-CG1 3.92Å; V623-E660 WeakPolarHBondContact CG1-OE2 3.38Å; V623-V672 HydrophobicContact CB-CG1 3.99Å; V623-V672 HydrophobicContact CG1-CG1 4.07Å; V623-V672 HydrophobicContact CG2-CG1 4.26Å; V623-M673 WeakPolarHBondContact CB-O 3.05Å
624	A	91.3	Very high	77.7	Confident	9 Å²	9	54.7 Å²	54.7	7%	0.074	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.5	169.2	0	0	0	0	0	109.4	L603 V611 M673	L603-A624 HydrophobicContact CD1-CB 4.01Å; V611-A624 HydrophobicContact CG1-CB 4.05Å; A624-M673 PolarHBondContact N-O 2.69Å; A624-M673 PolarHBondContact O-N 3.5Å
625	I	88.5	Confident	75.9	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	106	-172.8	-56.5	175.9	0	0	0	109.3	I591 I597 V611 Y612 V623 V627 F670 V671 V672	I591-I625 HydrophobicContact CD1-CG2 4.34Å; I597-I625 HydrophobicContact CD1-CG2 4.36Å; I597-I625 HydrophobicContact CG1-CD1 3.84Å; I597-I625 HydrophobicContact CG1-CG2 4.47Å; V611-I625 WeakPolarHBondContact CA-O 3.42Å; Y612-I625 PolarHBondContact N-O 2.84Å; Y612-I625 PolarHBondContact O-N 3.39Å; V623-I625 HydrophobicContact CG2-CD1 3.86Å; V623-I625 HydrophobicContact CG2-CG1 3.92Å; I625-V627 HydrophobicContact CG2-CG2 4.03Å; I625-V627 PolarHBondContact O-N 3.33Å; I625-F670 HydrophobicContact CG2-CB 4.32Å; I625-F670 HydrophobicContact CG2-CD1 4.25Å; I625-V671 WeakPolarHBondContact CA-O 3.49Å; I625-V672 HydrophobicContact CG1-CG1 4.37Å; I625-V672 HydrophobicContact CG1-CG2 4.33Å
626	K	84.7	Confident	74	Confident	10 Å²	10	63.5 Å²	63.5	4%	0.043	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	103	175.8	-169.9	-178.3	-163.1	179.4	0	108.4	V611 I628 E644 V671 M673 D741	V611-K626 HydrophobicContact CG2-CB 4.14Å; V611-K626 HydrophobicContact CG2-CG 4.07Å; K626-I628 HydrophobicContact CD-CD1 4.44Å; K626-I628 HydrophobicContact CG-CD1 4.4Å; K626-I628 HydrophobicContact CG-CG1 4.36Å; K626-E644 IonicContact NZ-OE1 2.77Å; K626-E644 PolarHBondContact NZ-OE1 2.97Å; K626-E644 IonicContact NZ-OE2 3.79Å; K626-E644 PolarHBondContact NZ-OE2 3.43Å; K626-V671 HydrophobicContact CB-CB 4.19Å; K626-V671 PolarHBondContact N-O 2.74Å; K626-V671 PolarHBondContact O-N 2.8Å; K626-M673 HydrophobicContact CB-CE 3.87Å; K626-D741 IonicContact NZ-OD1 2.87Å; K626-D741 PolarHBondContact NZ-OD1 3.22Å
627	V	81.4	Confident	72.3	Confident	10 Å²	10	64.5 Å²	64.5	6%	0.061	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	122	179.8	-174.4	0	0	0	0	109.9	V555 I597 G609 I610 Y612 I625 F670	V555-V627 HydrophobicContact CG1-CG1 4.34Å; I597-V627 HydrophobicContact CD1-CG2 4.4Å; G609-V627 CarbonylContact C-O 3.45Å; G609-V627 WeakPolarHBondContact CA-O 3.44Å; I610-V627 PolarHBondContact N-O 2.94Å; I610-V627 PolarHBondContact O-N 2.8Å; Y612-V627 HydrophobicContact CD2-CB 4.25Å; Y612-V627 HydrophobicContact CD2-CG2 3.69Å; Y612-V627 HydrophobicContact CE2-CB 4.17Å; Y612-V627 HydrophobicContact CE2-CG2 4.02Å; I625-V627 HydrophobicContact CG2-CG2 4.03Å; I625-V627 PolarHBondContact O-N 3.33Å; V627-F670 HydrophobicContact CB-CD1 4.45Å; V627-F670 HydrophobicContact CG1-CD1 4.15Å; V627-F670 HydrophobicContact CG1-CE1 3.87Å; V627-F670 HydrophobicContact CG1-CZ 4.45Å; V627-F670 HydrophobicContact CG2-CD1 3.77Å; V627-F670 HydrophobicContact CG2-CE1 4.02Å
628	I	74.4	Confident	71	Confident	9 Å²	9	67.3 Å²	67.3	5%	0.046	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	137.2	-175.1	-61.1	176.5	0	0	0	108.7	F608 K626 F633 L641 R668 V669	F608-I628 HydrophobicContact CB-CD1 4.41Å; F608-I628 WeakPolarHBondContact O-CG1 3.43Å; F608-I628 WeakPolarHBondContact O-CG2 3.47Å; K626-I628 HydrophobicContact CD-CD1 4.44Å; K626-I628 HydrophobicContact CG-CD1 4.4Å; K626-I628 HydrophobicContact CG-CG1 4.36Å; I628-F633 HydrophobicContact CG2-CD2 4.27Å; I628-L641 HydrophobicContact CB-CD2 4.5Å; I628-L641 HydrophobicContact CD1-CD1 3.43Å; I628-L641 VanDerWaalsContact CD1-CD1 3.43Å; I628-L641 HydrophobicContact CD1-CD2 3.67Å; I628-L641 HydrophobicContact CD1-CG 4.15Å; I628-L641 HydrophobicContact CG2-CD2 4.09Å; I628-R668 VanDerWaalsContact O-CA 3.23Å; I628-R668 WeakPolarHBondContact O-CA 3.3Å; I628-R668 VanDerWaalsContact O-CB 3.3Å; I628-R668 WeakPolarHBondContact O-CB 3.35Å; I628-R668 WeakPolarHBondContact O-CG 3.19Å; I628-V669 HydrophobicContact CB-CB 4.32Å; I628-V669 PolarHBondContact N-O 3.15Å; I628-V669 PolarHBondContact O-N 3.46Å
629	D	70.7	Confident	70	Confident	40 Å²	40	61.6 Å²	61.6	21%	0.214	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	103.2	-174.1	-162	-69.2	0	0	0	110.5	M631 R632 F633 R668	D629-M631 VanDerWaalsContact C-N 3.3Å; D629-M631 PolarHBondContact O-N 2.98Å; D629-R632 HydrophobicContact CB-CB 4.03Å; D629-R632 WeakPolarHBondContact O-CB 3.39Å; D629-R632 PolarHBondContact O-N 2.77Å; D629-R632 PolarHBondContact OD1-N 3.34Å; D629-F633 WeakPolarHBondContact O-CD2 3.31Å; D629-F633 PolarHBondContact O-N 3.23Å; D629-R668 IonicContact OD2-CZ 2.94Å; D629-R668 IonicContact OD2-NE 3.39Å; D629-R668 PolarHBondContact OD2-NE 3.33Å; D629-R668 IonicContact OD2-NH2 3.41Å; D629-R668 PolarHBondContact OD2-NH2 3.18Å
630	K	68.1	Low	68.8	Low	58 Å²	58	60.7 Å²	60.7	25%	0.252	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-60.9	-39	-175.7	-65	174.6	167	-176.7	0	111.9	R632 F633 E664 T665 P666 E667	K630-R632 PolarHBondContact O-N 2.88Å; K630-F633 CarbonylContact O-C 3.58Å; K630-F633 PolarHBondContact O-N 2.75Å; K630-E664 WeakPolarHBondContact CE-OE1 3.44Å; K630-E664 IonicContact NZ-OE1 3.85Å; K630-E664 PolarHBondContact NZ-OE1 2.87Å; K630-T665 WeakPolarHBondContact CE-O 3.39Å; K630-T665 PolarHBondContact NZ-O 3.49Å; K630-P666 VanDerWaalsContact CD-O 3.25Å; K630-P666 WeakPolarHBondContact CD-O 3.11Å; K630-E667 WeakPolarHBondContact CA-O 3.41Å; K630-E667 VanDerWaalsContact CB-O 3.27Å; K630-E667 WeakPolarHBondContact CB-O 3.42Å; K630-E667 PolarHBondContact N-O 3.19Å
631	M	59.9	Low	67.9	Low	143 Å²	143	59.7 Å²	59.7	70%	0.704	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-62.1	-23.2	177.4	-64.3	-58.6	-65.6	0	0	112.2	D629 E667	D629-M631 VanDerWaalsContact C-N 3.3Å; D629-M631 PolarHBondContact O-N 2.98Å; M631-E667 HydrophobicContact CG-CB 4.27Å
632	R	52	Low	66.8	Low	174 Å²	174	59.5 Å²	59.5	66%	0.657	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-90	-16.1	174.8	-163.6	175.1	-178.8	-167.4	-3.4	114.2	D629 K630	D629-R632 HydrophobicContact CB-CB 4.03Å; D629-R632 WeakPolarHBondContact O-CB 3.39Å; D629-R632 PolarHBondContact O-N 2.77Å; D629-R632 PolarHBondContact OD1-N 3.34Å; K630-R632 PolarHBondContact O-N 2.88Å
633	F	51.9	Low	65.9	Low	34 Å²	34	58.2 Å²	58.2	15%	0.149	29%	0.288	C	S	.	.	S	Bend	trans	-134.8	57.5	-172.7	-57	-60.9	0	0	0	114.6	Q607 F608 I628 D629 K630 Q637	Q607-F633 VanDerWaalsContact O-CZ 3.28Å; Q607-F633 WeakPolarHBondContact O-CZ 3.48Å; F608-F633 WeakPolarHBondContact O-CE2 3.41Å; I628-F633 HydrophobicContact CG2-CD2 4.27Å; D629-F633 WeakPolarHBondContact O-CD2 3.31Å; D629-F633 PolarHBondContact O-N 3.23Å; K630-F633 CarbonylContact O-C 3.58Å; K630-F633 PolarHBondContact O-N 2.75Å; F633-Q637 HydrophobicContact CB-CB 4.26Å; F633-Q637 VanDerWaalsContact CD1-OE1 3.24Å
634	P	44.7	Very low	65.1	Low	88 Å²	88	58.5 Å²	58.5	57%	0.571	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	142.8	-172.3	-21.7	34.6	0	0	0	114.7	K636	P634-K636 PolarHBondContact O-N 2.89Å
635	T	49.4	Very low	64.2	Low	123 Å²	123	58.2 Å²	58.2	76%	0.755	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	-16.9	157.7	67.3	0	0	0	0	121.1
636	K	48.5	Very low	63.6	Low	113 Å²	113	60 Å²	60	49%	0.491	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-12.8	-177.8	-121.5	171.9	-170.7	160.2	0	115.6	P634 S639	P634-K636 PolarHBondContact O-N 2.89Å; K636-S639 PolarHBondContact O-OG 2.95Å
637	Q	52.3	Low	63.5	Low	56 Å²	56	59.7 Å²	59.7	26%	0.262	30%	0.3	S	S	.	.	S	Bend	trans	-106	-20.9	175.6	-60.5	-177.5	29.5	0	0	111.6	F608 F633 S639 Q640 L641	F608-Q637 HydrophobicContact CD1-CB 4.39Å; F608-Q637 HydrophobicContact CE1-CB 4.38Å; F608-Q637 HydrophobicContact CE1-CG 4.42Å; F633-Q637 HydrophobicContact CB-CB 4.26Å; F633-Q637 VanDerWaalsContact CD1-OE1 3.24Å; Q637-S639 VanDerWaalsContact C-N 3.27Å; Q637-S639 PolarHBondContact O-N 3.47Å; Q637-Q640 CarbonylContact O-C 3.49Å; Q637-Q640 WeakPolarHBondContact O-CA 3.32Å; Q637-Q640 WeakPolarHBondContact O-CB 3.49Å; Q637-Q640 PolarHBondContact O-N 3.38Å; Q637-L641 PolarHBondContact O-N 3.12Å
638	E	55.6	Low	63.4	Low	75 Å²	75	59.6 Å²	59.6	35%	0.35	30%	0.299	S	S	.	.	H	α-helix	trans	-54	-41	168.1	-166.4	-162.4	139.9	0	0	112.2	Q640 L641 R642	E638-Q640 VanDerWaalsContact C-N 3.34Å; E638-Q640 PolarHBondContact O-N 3.48Å; E638-L641 PolarHBondContact O-N 3.49Å; E638-R642 WeakPolarHBondContact O-CB 3.43Å; E638-R642 VanDerWaalsContact O-CG 3.28Å; E638-R642 WeakPolarHBondContact O-CG 3.34Å; E638-R642 PolarHBondContact O-N 2.7Å; E638-R642 IonicContact OE1-CZ 3.94Å; E638-R642 IonicContact OE1-NE 2.69Å; E638-R642 PolarHBondContact OE1-NE 2.81Å; E638-R642 IonicContact OE1-NH2 3.77Å; E638-R642 PolarHBondContact OE1-NH2 3.07Å
639	S	58.5	Low	63.6	Low	71 Å²	71	59.8 Å²	59.8	50%	0.497	30%	0.3	S	S	.	.	H	α-helix	trans	-69.7	-28.3	174.1	56.4	0	0	0	0	113.4	K636 Q637 N643	K636-S639 PolarHBondContact O-OG 2.95Å; Q637-S639 VanDerWaalsContact C-N 3.27Å; Q637-S639 PolarHBondContact O-N 3.47Å; S639-N643 VanDerWaalsContact O-CB 3.22Å; S639-N643 WeakPolarHBondContact O-CB 3.48Å; S639-N643 PolarHBondContact O-N 2.83Å
640	Q	59.8	Low	64.1	Low	53 Å²	53	62.6 Å²	62.6	25%	0.248	32%	0.315	C	S	.	.	H	α-helix	trans	-73.2	-35.2	173.5	-59.4	-172.6	-45.9	0	0	111.2	Q637 E638 N643 E644	Q637-Q640 CarbonylContact O-C 3.49Å; Q637-Q640 WeakPolarHBondContact O-CA 3.32Å; Q637-Q640 WeakPolarHBondContact O-CB 3.49Å; Q637-Q640 PolarHBondContact O-N 3.38Å; E638-Q640 VanDerWaalsContact C-N 3.34Å; E638-Q640 PolarHBondContact O-N 3.48Å; Q640-N643 PolarHBondContact O-N 2.64Å; Q640-E644 WeakPolarHBondContact O-CB 3.24Å; Q640-E644 PolarHBondContact O-N 2.72Å
641	L	63.2	Low	65	Low	15 Å²	15	60.3 Å²	60.3	8%	0.079	31%	0.305	C	S	.	.	H	α-helix	trans	-70.8	-47.7	173.3	176.7	56.4	0	0	0	112.1	I628 Q637 E638 N643 E644 V645 V669 V671	I628-L641 HydrophobicContact CB-CD2 4.5Å; I628-L641 HydrophobicContact CD1-CD1 3.43Å; I628-L641 VanDerWaalsContact CD1-CD1 3.43Å; I628-L641 HydrophobicContact CD1-CD2 3.67Å; I628-L641 HydrophobicContact CD1-CG 4.15Å; I628-L641 HydrophobicContact CG2-CD2 4.09Å; Q637-L641 PolarHBondContact O-N 3.12Å; E638-L641 PolarHBondContact O-N 3.49Å; L641-N643 PolarHBondContact O-N 2.89Å; L641-E644 PolarHBondContact O-N 2.85Å; L641-E644 VanDerWaalsContact O-N 3.09Å; L641-V645 HydrophobicContact CD1-CG2 4.04Å; L641-V645 WeakPolarHBondContact O-CB 3.49Å; L641-V645 WeakPolarHBondContact O-CG2 3.44Å; L641-V645 PolarHBondContact O-N 3.47Å; L641-V669 HydrophobicContact CD2-CB 3.8Å; L641-V669 HydrophobicContact CD2-CG1 3.9Å; L641-V669 HydrophobicContact CD2-CG2 3.79Å; L641-V671 HydrophobicContact CD1-CG2 4.19Å
642	R	66.7	Low	66.3	Low	105 Å²	105	60.3 Å²	60.3	40%	0.396	30%	0.303	S	S	.	.	H	α-helix	trans	-54.7	-39	171	-71.5	170.4	-177.8	-113.9	10.7	110.8	I578 E638 A646	I578-R642 VanDerWaalsContact CD1-CZ 3.49Å; I578-R642 VanDerWaalsContact CD1-NH2 3.34Å; E638-R642 WeakPolarHBondContact O-CB 3.43Å; E638-R642 VanDerWaalsContact O-CG 3.28Å; E638-R642 WeakPolarHBondContact O-CG 3.34Å; E638-R642 PolarHBondContact O-N 2.7Å; E638-R642 IonicContact OE1-CZ 3.94Å; E638-R642 IonicContact OE1-NE 2.69Å; E638-R642 PolarHBondContact OE1-NE 2.81Å; E638-R642 IonicContact OE1-NH2 3.77Å; E638-R642 PolarHBondContact OE1-NH2 3.07Å; R642-A646 WeakPolarHBondContact O-CB 3.49Å; R642-A646 PolarHBondContact O-N 3.34Å
643	N	71.1	Confident	68.2	Low	36 Å²	36	53.6 Å²	53.6	19%	0.193	28%	0.279	C	S	.	.	H	α-helix	trans	-68.6	-44.1	173	170.7	98.9	0	0	0	113.2	S639 Q640 L641 V645 A646 I647 A745 R746	S639-N643 VanDerWaalsContact O-CB 3.22Å; S639-N643 WeakPolarHBondContact O-CB 3.48Å; S639-N643 PolarHBondContact O-N 2.83Å; Q640-N643 PolarHBondContact O-N 2.64Å; L641-N643 PolarHBondContact O-N 2.89Å; N643-V645 VanDerWaalsContact C-N 3.34Å; N643-V645 PolarHBondContact O-N 3.41Å; N643-A646 PolarHBondContact O-N 3.34Å; N643-I647 WeakPolarHBondContact ND2-CD1 3.47Å; N643-I647 VanDerWaalsContact O-CB 3.3Å; N643-I647 WeakPolarHBondContact O-CB 3.45Å; N643-I647 VanDerWaalsContact O-CG1 3.26Å; N643-I647 WeakPolarHBondContact O-CG1 3.42Å; N643-I647 PolarHBondContact O-N 3.01Å; N643-A745 PolarHBondContact ND2-O 3.29Å; N643-R746 PolarHBondContact ND2-NH1 3.22Å
644	E	75.1	Confident	70.3	Confident	6 Å²	6	53 Å²	53	3%	0.028	28%	0.279	C	S	.	.	H	α-helix	trans	-57.5	-47.8	175.5	178.6	168.7	-159.7	0	0	111.1	K626 Q640 L641 I647 L648 F742 G743	K626-E644 IonicContact NZ-OE1 2.77Å; K626-E644 PolarHBondContact NZ-OE1 2.97Å; K626-E644 IonicContact NZ-OE2 3.79Å; K626-E644 PolarHBondContact NZ-OE2 3.43Å; Q640-E644 WeakPolarHBondContact O-CB 3.24Å; Q640-E644 PolarHBondContact O-N 2.72Å; L641-E644 PolarHBondContact O-N 2.85Å; L641-E644 VanDerWaalsContact O-N 3.09Å; E644-I647 PolarHBondContact O-N 3.24Å; E644-L648 HydrophobicContact CG-CD1 4.07Å; E644-L648 WeakPolarHBondContact O-CB 3.38Å; E644-L648 WeakPolarHBondContact O-CG 3.38Å; E644-L648 PolarHBondContact O-N 3.25Å; E644-F742 HydrophobicContact CG-CB 3.98Å; E644-F742 PolarHBondContact OE1-N 3.28Å; E644-F742 VanDerWaalsContact OE1-N 3.13Å; E644-G743 PolarHBondContact OE1-N 3.46Å
645	V	71.1	Confident	72.7	Confident	4 Å²	4	48.9 Å²	48.9	2%	0.024	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-48.4	178.8	173	0	0	0	0	111.1	L641 N643 I647 L648 Q649 L659 M662 V671	L641-V645 HydrophobicContact CD1-CG2 4.04Å; L641-V645 WeakPolarHBondContact O-CB 3.49Å; L641-V645 WeakPolarHBondContact O-CG2 3.44Å; L641-V645 PolarHBondContact O-N 3.47Å; N643-V645 VanDerWaalsContact C-N 3.34Å; N643-V645 PolarHBondContact O-N 3.41Å; V645-I647 VanDerWaalsContact C-N 3.3Å; V645-I647 PolarHBondContact O-N 3.43Å; V645-L648 PolarHBondContact O-N 2.95Å; V645-Q649 HydrophobicContact CG1-CG 4.19Å; V645-Q649 WeakPolarHBondContact O-CB 3.35Å; V645-Q649 VanDerWaalsContact O-CG 3.26Å; V645-Q649 WeakPolarHBondContact O-CG 3.45Å; V645-Q649 PolarHBondContact O-N 3.4Å; V645-L659 HydrophobicContact CG1-CD2 4.47Å; V645-M662 HydrophobicContact CB-SD 4.38Å; V645-M662 HydrophobicContact CG1-SD 3.96Å; V645-M662 HydrophobicContact CG2-SD 3.68Å; V645-V671 HydrophobicContact CG2-CG2 4.35Å
646	A	76.3	Confident	74.9	Confident	37 Å²	37	43.2 Å²	43.2	31%	0.306	22%	0.217	S	C	.	.	H	α-helix	trans	-64.1	-32.7	178.8	0	0	0	0	0	113	R642 N643 N650	R642-A646 WeakPolarHBondContact O-CB 3.49Å; R642-A646 PolarHBondContact O-N 3.34Å; N643-A646 PolarHBondContact O-N 3.34Å; A646-N650 PolarHBondContact O-ND2 3.06Å
647	I	82.4	Confident	77	Confident	4 Å²	4	38.2 Å²	38.2	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-66.3	-52.6	171.2	-75.4	174.8	0	0	0	109.9	N643 E644 V645 Q649 N650 L651 I716 F742 A745 I747	N643-I647 WeakPolarHBondContact ND2-CD1 3.47Å; N643-I647 VanDerWaalsContact O-CB 3.3Å; N643-I647 WeakPolarHBondContact O-CB 3.45Å; N643-I647 VanDerWaalsContact O-CG1 3.26Å; N643-I647 WeakPolarHBondContact O-CG1 3.42Å; N643-I647 PolarHBondContact O-N 3.01Å; E644-I647 PolarHBondContact O-N 3.24Å; V645-I647 VanDerWaalsContact C-N 3.3Å; V645-I647 PolarHBondContact O-N 3.43Å; I647-Q649 PolarHBondContact O-N 3.44Å; I647-N650 PolarHBondContact O-N 2.93Å; I647-N650 VanDerWaalsContact O-N 3.08Å; I647-L651 HydrophobicContact CG2-CD1 3.57Å; I647-L651 HydrophobicContact CG2-CG 4.44Å; I647-L651 VanDerWaalsContact O-CG 3.3Å; I647-L651 WeakPolarHBondContact O-CG 3.31Å; I647-L651 PolarHBondContact O-N 3.41Å; I647-I716 HydrophobicContact CG2-CD1 4.24Å; I647-I716 HydrophobicContact CG2-CG2 4.27Å; I647-F742 HydrophobicContact CG2-CB 4.45Å; I647-F742 HydrophobicContact CG2-CD1 3.83Å; I647-F742 HydrophobicContact CG2-CG 4.41Å; I647-A745 HydrophobicContact CD1-CB 3.99Å; I647-A745 WeakPolarHBondContact CD1-O 3.38Å; I647-I747 HydrophobicContact CG1-CG1 4.42Å
648	L	80.2	Confident	78.6	Confident	8 Å²	8	39.5 Å²	39.5	4%	0.042	21%	0.205	C	C	.	.	H	α-helix	trans	-60.2	-42.8	-179.4	-77.4	169.5	0	0	0	112.9	E644 V645 N650 L651 V657 L659 F742	E644-L648 HydrophobicContact CG-CD1 4.07Å; E644-L648 WeakPolarHBondContact O-CB 3.38Å; E644-L648 WeakPolarHBondContact O-CG 3.38Å; E644-L648 PolarHBondContact O-N 3.25Å; V645-L648 PolarHBondContact O-N 2.95Å; L648-N650 PolarHBondContact O-N 2.89Å; L648-N650 VanDerWaalsContact O-N 3.13Å; L648-L651 PolarHBondContact O-N 3.38Å; L648-V657 HydrophobicContact CD2-CG1 4.18Å; L648-L659 HydrophobicContact CB-CB 4.2Å; L648-L659 HydrophobicContact CB-CD2 3.9Å; L648-F742 HydrophobicContact CD2-CD2 3.57Å; L648-F742 HydrophobicContact CD2-CE2 3.87Å; L648-F742 HydrophobicContact CD2-CG 4.15Å; L648-F742 HydrophobicContact CG-CB 4.36Å; L648-F742 HydrophobicContact CG-CD2 4.19Å; L648-F742 HydrophobicContact CG-CG 4.38Å
649	Q	78	Confident	80.1	Confident	13 Å²	13	37 Å²	37	6%	0.061	19%	0.194	C	C	.	.	H	α-helix	trans	-57.8	-25.8	175.3	-74.3	172.8	-30	0	0	113.5	C583 V645 I647 H652 L659	C583-Q649 HydrophobicContact CB-CG 4.03Å; C583-Q649 PolarHBondContact O-NE2 3.41Å; V645-Q649 HydrophobicContact CG1-CG 4.19Å; V645-Q649 WeakPolarHBondContact O-CB 3.35Å; V645-Q649 VanDerWaalsContact O-CG 3.26Å; V645-Q649 WeakPolarHBondContact O-CG 3.45Å; V645-Q649 PolarHBondContact O-N 3.4Å; I647-Q649 PolarHBondContact O-N 3.44Å; Q649-H652 PolarHBondContact O-CE1 3.33Å; Q649-L659 HydrophobicContact CG-CD2 3.69Å
650	N	81.1	Confident	81.3	Confident	99 Å²	99	36 Å²	36	53%	0.529	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	7.7	-179.7	-76.8	-83.2	0	0	0	113.4	A646 I647 L648 K714	A646-N650 PolarHBondContact O-ND2 3.06Å; I647-N650 PolarHBondContact O-N 2.93Å; I647-N650 VanDerWaalsContact O-N 3.08Å; L648-N650 PolarHBondContact O-N 2.89Å; L648-N650 VanDerWaalsContact O-N 3.13Å; N650-K714 PolarHBondContact O-NZ 3.39Å
651	L	86.4	Confident	82.4	Confident	9 Å²	9	34.1 Å²	34.1	5%	0.047	17%	0.174	C	C	.	.			trans	-116.7	117.7	-178.8	-71.6	172.3	0	0	0	111.3	I647 L648 I656 L711 K714 I716 F742	I647-L651 HydrophobicContact CG2-CD1 3.57Å; I647-L651 HydrophobicContact CG2-CG 4.44Å; I647-L651 VanDerWaalsContact O-CG 3.3Å; I647-L651 WeakPolarHBondContact O-CG 3.31Å; I647-L651 PolarHBondContact O-N 3.41Å; L648-L651 PolarHBondContact O-N 3.38Å; L651-I656 HydrophobicContact CB-CD1 4.28Å; L651-I656 HydrophobicContact CB-CG2 4.48Å; L651-I656 HydrophobicContact CD1-CD1 4.29Å; L651-I656 HydrophobicContact CD2-CD1 4.07Å; L651-I656 HydrophobicContact CG-CD1 4.46Å; L651-L711 HydrophobicContact CD1-CD2 3.55Å; L651-L711 HydrophobicContact CD2-CD2 3.59Å; L651-L711 HydrophobicContact CG-CD2 4.23Å; L651-K714 HydrophobicContact CD2-CD 3.74Å; L651-I716 HydrophobicContact CD1-CD1 4.35Å; L651-I716 HydrophobicContact CD2-CD1 3.83Å; L651-I716 HydrophobicContact CG-CD1 4.21Å; L651-F742 HydrophobicContact CD1-CD1 4.24Å; L651-F742 HydrophobicContact CD1-CE1 3.81Å; L651-F742 HydrophobicContact CD1-CZ 4.22Å
652	H	87.3	Confident	83.3	Confident	144 Å²	144	33.9 Å²	33.9	67%	0.667	17%	0.172	S	C	*	.			trans	-132.1	103.1	176.2	-69.1	70.1	0	0	0	106.9	Q649 H710	Q649-H652 PolarHBondContact O-CE1 3.33Å; H652-H710 PolarHBondContact O-CE1 3.07Å
653	H	93.6	Very high	84	Confident	33 Å²	33	29 Å²	29	15%	0.153	15%	0.154	C	C	.	.			trans	-161.7	136.5	-176.5	-177	-104.1	0	0	0	109.9	G655 I656 H710	H653-G655 PolarHBondContact ND1-N 3.33Å; H653-G655 VanDerWaalsContact ND1-N 3.19Å; H653-G655 PolarHBondContact O-N 3.36Å; H653-G655 VanDerWaalsContact O-N 3.16Å; H653-I656 HydrophobicContact CB-CB 4.44Å; H653-I656 HydrophobicContact CB-CD1 3.89Å; H653-I656 HydrophobicContact CB-CG1 4.07Å; H653-I656 PolarHBondContact O-N 3.17Å; H653-H710 AromaticContact CD2-CG 3.92Å; H653-H710 AromaticContact CD2-ND1 3.71Å; H653-H710 AromaticContact CG-CG 3.94Å; H653-H710 AromaticContact CG-ND1 4Å
654	P	94.8	Very high	84.4	Confident	22 Å²	22	29.2 Å²	29.2	14%	0.143	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-33	-175.2	-27.1	37	0	0	0	113.7	I656 Q736 K738 E871 Y873	P654-I656 VanDerWaalsContact C-N 3.26Å; P654-I656 PolarHBondContact O-N 2.97Å; P654-Q736 PolarHBondContact O-NE2 2.9Å; P654-K738 VanDerWaalsContact O-CE 3.28Å; P654-K738 WeakPolarHBondContact O-CE 3.08Å; P654-K738 WeakPolarHBondContact O-CG 3.44Å; P654-K738 PolarHBondContact O-NZ 3.46Å; P654-K738 VanDerWaalsContact O-NZ 3.08Å; P654-E871 WeakPolarHBondContact CG-OE1 3.3Å; P654-Y873 HydrophobicContact CB-CD1 3.9Å; P654-Y873 HydrophobicContact CB-CD2 4.06Å; P654-Y873 HydrophobicContact CB-CE1 3.7Å; P654-Y873 HydrophobicContact CB-CE2 3.89Å; P654-Y873 HydrophobicContact CB-CG 4.08Å; P654-Y873 HydrophobicContact CG-CD1 3.92Å; P654-Y873 HydrophobicContact CG-CD2 4.15Å; P654-Y873 HydrophobicContact CG-CE1 4.24Å; P654-Y873 HydrophobicContact CG-CE2 4.49Å; P654-Y873 HydrophobicContact CG-CG 3.86Å
655	G	96	Very high	84.4	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.01	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	12.3	176.7	0	0	0	0	0	116.3	H653 A707 V737 K738 L739	H653-G655 PolarHBondContact ND1-N 3.33Å; H653-G655 VanDerWaalsContact ND1-N 3.19Å; H653-G655 PolarHBondContact O-N 3.36Å; H653-G655 VanDerWaalsContact O-N 3.16Å; G655-A707 WeakPolarHBondContact O-CB 3.4Å; G655-V737 WeakPolarHBondContact CA-O 3.38Å; G655-K738 WeakPolarHBondContact O-CA 3.21Å; G655-L739 PolarHBondContact O-N 2.88Å
656	I	95.3	Very high	84.5	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.021	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-122.5	149.4	176.9	-60.7	178.5	0	0	0	108.7	L651 H653 P654 A707 L711 K738 F742	L651-I656 HydrophobicContact CB-CD1 4.28Å; L651-I656 HydrophobicContact CB-CG2 4.48Å; L651-I656 HydrophobicContact CD1-CD1 4.29Å; L651-I656 HydrophobicContact CD2-CD1 4.07Å; L651-I656 HydrophobicContact CG-CD1 4.46Å; H653-I656 HydrophobicContact CB-CB 4.44Å; H653-I656 HydrophobicContact CB-CD1 3.89Å; H653-I656 HydrophobicContact CB-CG1 4.07Å; H653-I656 PolarHBondContact O-N 3.17Å; P654-I656 VanDerWaalsContact C-N 3.26Å; P654-I656 PolarHBondContact O-N 2.97Å; I656-A707 HydrophobicContact CG1-CB 4.47Å; I656-L711 HydrophobicContact CD1-CD2 3.81Å; I656-L711 HydrophobicContact CD1-CG 4.08Å; I656-K738 PolarHBondContact O-NZ 2.9Å; I656-F742 HydrophobicContact CG2-CE2 3.99Å; I656-F742 HydrophobicContact CG2-CZ 3.86Å
657	V	91.9	Very high	84.3	Confident	7 Å²	7	37.8 Å²	37.8	4%	0.042	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-66.5	129.6	173.6	67.4	0	0	0	0	111.3	L648 M673 E674 L676 L739 C740 F742	L648-V657 HydrophobicContact CD2-CG1 4.18Å; V657-M673 HydrophobicContact CG2-CB 4.12Å; V657-M673 HydrophobicContact CG2-CG 4.47Å; V657-M673 HydrophobicContact CG2-SD 4.38Å; V657-E674 HydrophobicContact CG2-CG 3.9Å; V657-L676 HydrophobicContact CG2-CD2 4.09Å; V657-L739 WeakPolarHBondContact CG1-O 3.49Å; V657-L739 PolarHBondContact N-O 2.87Å; V657-C740 HydrophobicContact CB-CB 4.31Å; V657-C740 HydrophobicContact CG1-CB 3.95Å; V657-F742 HydrophobicContact CG1-CE2 4.45Å
658	N	87.4	Confident	84	Confident	84 Å²	84	38.8 Å²	38.8	45%	0.449	20%	0.202	S	C	.	.	P	Polyproline II helix	trans	-78.3	126.6	178.9	-170.4	48.3	0	0	0	111.3	M673 E674	N658-M673 WeakPolarHBondContact O-CA 3.39Å; N658-E674 HydrophobicContact CB-CG 4.22Å; N658-E674 VanDerWaalsContact CB-OE1 3.24Å; N658-E674 WeakPolarHBondContact CB-OE1 3.47Å; N658-E674 PolarHBondContact N-OE1 3.22Å; N658-E674 PolarHBondContact O-N 2.9Å
659	L	86.5	Confident	84	Confident	22 Å²	22	38.6 Å²	38.6	12%	0.115	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	121.1	169.3	173.6	63.4	0	0	0	108.8	V645 L648 Q649 V671	V645-L659 HydrophobicContact CG1-CD2 4.47Å; L648-L659 HydrophobicContact CB-CB 4.2Å; L648-L659 HydrophobicContact CB-CD2 3.9Å; Q649-L659 HydrophobicContact CG-CD2 3.69Å; L659-V671 HydrophobicContact CD1-CG1 3.39Å
660	E	83.8	Confident	84.3	Confident	51 Å²	51	38.2 Å²	38.2	24%	0.238	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	-51.5	-179.7	177.6	166.9	-175.1	0	0	111.8	Y595 H616 R621 V623 V672	Y595-E660 PolarHBondContact OH-OE1 3.16Å; Y595-E660 VanDerWaalsContact OH-OE1 3.09Å; H616-E660 IonicContact CD2-OE1 2.78Å; R621-E660 IonicContact CZ-OE1 3.2Å; R621-E660 IonicContact CZ-OE2 2.66Å; R621-E660 IonicContact NH1-OE1 3.62Å; R621-E660 IonicContact NH1-OE2 2.59Å; R621-E660 PolarHBondContact NH1-OE2 3.35Å; R621-E660 IonicContact NH2-OE1 2.9Å; R621-E660 PolarHBondContact NH2-OE1 2.81Å; R621-E660 IonicContact NH2-OE2 2.68Å; R621-E660 PolarHBondContact NH2-OE2 3.4Å; V623-E660 WeakPolarHBondContact CG1-OE2 3.38Å; E660-V672 HydrophobicContact CB-CG1 4.27Å; E660-V672 PolarHBondContact N-O 2.85Å
661	C	82.8	Confident	84.4	Confident	13 Å²	13	33.7 Å²	33.7	9%	0.088	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	169.5	175.6	55.6	0	0	0	0	112.1	Y595 F663 V672	Y595-C661 PolarHBondContact OH-SG 2.82Å; C661-F663 WeakPolarHBondContact SG-CE2 3.28Å; C661-V672 PolarHBondContact N-O 3.49Å; C661-V672 PolarHBondContact O-N 3.4Å
662	M	81.8	Confident	84.5	Confident	9 Å²	9	33.3 Å²	33.3	4%	0.044	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.3	172.5	173.6	174.8	144.2	0	0	110.6	I585 Q586 V645 E664 V669 F670	I585-M662 HydrophobicContact CD1-CE 3.8Å; I585-M662 HydrophobicContact CD1-SD 4.19Å; I585-M662 HydrophobicContact CG1-CB 4.43Å; I585-M662 HydrophobicContact CG1-CE 4.33Å; I585-M662 HydrophobicContact CG1-CG 4.47Å; I585-M662 HydrophobicContact CG1-SD 4.39Å; I585-M662 HydrophobicContact CG2-CE 4.46Å; Q586-M662 PolarHBondContact N-O 3.49Å; V645-M662 HydrophobicContact CB-SD 4.38Å; V645-M662 HydrophobicContact CG1-SD 3.96Å; V645-M662 HydrophobicContact CG2-SD 3.68Å; M662-E664 HydrophobicContact CE-CB 4.22Å; M662-E664 WeakPolarHBondContact CE-OE2 3.44Å; M662-V669 HydrophobicContact CE-CG1 3.65Å; M662-V669 HydrophobicContact CE-CG2 4.22Å; M662-V669 HydrophobicContact CG-CG1 3.89Å; M662-V669 HydrophobicContact SD-CG1 3.81Å; M662-F670 WeakPolarHBondContact CA-O 3.26Å
663	F	81.7	Confident	84.5	Confident	3 Å²	3	27.4 Å²	27.4	1%	0.013	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	148.3	169.3	-57.8	-94.5	0	0	0	110.1	Q586 V589 I591 I594 Y595 C661 V669 F670 V672	Q586-F663 HydrophobicContact CB-CD1 4.03Å; Q586-F663 HydrophobicContact CB-CE1 3.96Å; Q586-F663 HydrophobicContact CG-CE1 4.47Å; V589-F663 HydrophobicContact CB-CE1 4.34Å; V589-F663 HydrophobicContact CG1-CE1 4.08Å; I591-F663 HydrophobicContact CB-CB 4.15Å; I591-F663 HydrophobicContact CB-CD1 4.1Å; I591-F663 HydrophobicContact CB-CD2 3.91Å; I591-F663 HydrophobicContact CB-CE2 4.33Å; I591-F663 HydrophobicContact CB-CG 3.78Å; I591-F663 HydrophobicContact CD1-CB 4.5Å; I591-F663 HydrophobicContact CD1-CD2 3.61Å; I591-F663 HydrophobicContact CD1-CE2 4.13Å; I591-F663 HydrophobicContact CD1-CG 4.24Å; I591-F663 HydrophobicContact CG1-CD2 3.63Å; I591-F663 HydrophobicContact CG1-CE2 3.83Å; I591-F663 HydrophobicContact CG1-CG 4.06Å; I591-F663 HydrophobicContact CG1-CZ 4.43Å; I594-F663 HydrophobicContact CD1-CE1 4.12Å; I594-F663 HydrophobicContact CD1-CZ 3.98Å; Y595-F663 AromaticContact CD2-CE2 3.81Å; Y595-F663 HydrophobicContact CD2-CE2 3.81Å; Y595-F663 HydrophobicContact CD2-CZ 4.1Å; Y595-F663 AromaticContact CE2-CE2 3.54Å; Y595-F663 HydrophobicContact CE2-CE2 3.54Å; Y595-F663 AromaticContact CE2-CZ 3.76Å; Y595-F663 HydrophobicContact CE2-CZ 3.76Å; C661-F663 WeakPolarHBondContact SG-CE2 3.28Å; F663-V669 WeakPolarHBondContact O-CA 3.28Å; F663-F670 HydrophobicContact CB-CB 4.29Å; F663-F670 HydrophobicContact CB-CD2 4.42Å; F663-F670 PolarHBondContact N-O 3.11Å; F663-F670 PolarHBondContact O-N 2.74Å; F663-V672 HydrophobicContact CD2-CG2 4.22Å; F663-V672 HydrophobicContact CE2-CG2 4.09Å
664	E	78.6	Confident	84.3	Confident	41 Å²	41	28 Å²	28	19%	0.192	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	126.9	-177.2	-175.5	157.9	173.7	0	0	110.2	I585 K630 M662 V669	I585-E664 HydrophobicContact CG2-CB 4.27Å; K630-E664 WeakPolarHBondContact CE-OE1 3.44Å; K630-E664 IonicContact NZ-OE1 3.85Å; K630-E664 PolarHBondContact NZ-OE1 2.87Å; M662-E664 HydrophobicContact CE-CB 4.22Å; M662-E664 WeakPolarHBondContact CE-OE2 3.44Å; E664-V669 HydrophobicContact CB-CG2 4.45Å; E664-V669 HydrophobicContact CG-CG2 3.97Å
665	T	75.4	Confident	84.2	Confident	45 Å²	45	29.9 Å²	29.9	28%	0.276	16%	0.155	S	C	.	.			trans	-113.7	170.3	172.5	81.3	0	0	0	0	108.9	K630 E667 R668 F670	K630-T665 WeakPolarHBondContact CE-O 3.39Å; K630-T665 PolarHBondContact NZ-O 3.49Å; T665-E667 PolarHBondContact O-N 3.15Å; T665-E667 VanDerWaalsContact O-N 3.17Å; T665-E667 PolarHBondContact OG1-N 3.12Å; T665-E667 PolarHBondContact OG1-OE2 3.32Å; T665-R668 PolarHBondContact N-O 3.15Å; T665-R668 PolarHBondContact O-N 3.3Å; T665-R668 VanDerWaalsContact O-O 3.09Å; T665-R668 PolarHBondContact OG1-N 3.45Å; T665-R668 VanDerWaalsContact OG1-N 3.14Å; T665-F670 HydrophobicContact CG2-CE2 4.01Å
666	P	72.9	Confident	84	Confident	90 Å²	90	31.1 Å²	31.1	58%	0.584	16%	0.161	S	C	*	.	S	Bend	trans	-55.5	-33.2	176.4	-26.6	36.5	0	0	0	113.3	K630	K630-P666 VanDerWaalsContact CD-O 3.25Å; K630-P666 WeakPolarHBondContact CD-O 3.11Å
667	E	72.7	Confident	83.7	Confident	92 Å²	92	36.6 Å²	36.6	43%	0.43	19%	0.186	S	C	.	.	S	Bend	trans	-98.5	-18.4	-176.5	-42.3	74.2	-167.7	0	0	113.9	K630 M631 T665	K630-E667 WeakPolarHBondContact CA-O 3.41Å; K630-E667 VanDerWaalsContact CB-O 3.27Å; K630-E667 WeakPolarHBondContact CB-O 3.42Å; K630-E667 PolarHBondContact N-O 3.19Å; M631-E667 HydrophobicContact CG-CB 4.27Å; T665-E667 PolarHBondContact O-N 3.15Å; T665-E667 VanDerWaalsContact O-N 3.17Å; T665-E667 PolarHBondContact OG1-N 3.12Å; T665-E667 PolarHBondContact OG1-OE2 3.32Å
668	R	77.1	Confident	83.5	Confident	25 Å²	25	37 Å²	37	9%	0.094	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	162.6	-166.5	-66.1	-160.2	170.3	150.3	0.4	116.1	V555 I628 D629 T665 F670	V555-R668 PolarHBondContact O-NH1 3.01Å; V555-R668 PolarHBondContact O-NH2 3.26Å; I628-R668 VanDerWaalsContact O-CA 3.23Å; I628-R668 WeakPolarHBondContact O-CA 3.3Å; I628-R668 VanDerWaalsContact O-CB 3.3Å; I628-R668 WeakPolarHBondContact O-CB 3.35Å; I628-R668 WeakPolarHBondContact O-CG 3.19Å; D629-R668 IonicContact OD2-CZ 2.94Å; D629-R668 IonicContact OD2-NE 3.39Å; D629-R668 PolarHBondContact OD2-NE 3.33Å; D629-R668 IonicContact OD2-NH2 3.41Å; D629-R668 PolarHBondContact OD2-NH2 3.18Å; T665-R668 PolarHBondContact N-O 3.15Å; T665-R668 PolarHBondContact O-N 3.3Å; T665-R668 VanDerWaalsContact O-O 3.09Å; T665-R668 PolarHBondContact OG1-N 3.45Å; T665-R668 VanDerWaalsContact OG1-N 3.14Å; R668-F670 HydrophobicContact CB-CD2 4.36Å; R668-F670 HydrophobicContact CB-CE2 3.69Å; R668-F670 HydrophobicContact CB-CZ 4.17Å
669	V	78.9	Confident	83.6	Confident	3 Å²	3	35.2 Å²	35.2	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.4	162.9	176.3	0	0	0	0	109.2	I628 L641 M662 F663 E664 V671	I628-V669 HydrophobicContact CB-CB 4.32Å; I628-V669 PolarHBondContact N-O 3.15Å; I628-V669 PolarHBondContact O-N 3.46Å; L641-V669 HydrophobicContact CD2-CB 3.8Å; L641-V669 HydrophobicContact CD2-CG1 3.9Å; L641-V669 HydrophobicContact CD2-CG2 3.79Å; M662-V669 HydrophobicContact CE-CG1 3.65Å; M662-V669 HydrophobicContact CE-CG2 4.22Å; M662-V669 HydrophobicContact CG-CG1 3.89Å; M662-V669 HydrophobicContact SD-CG1 3.81Å; F663-V669 WeakPolarHBondContact O-CA 3.28Å; E664-V669 HydrophobicContact CB-CG2 4.45Å; E664-V669 HydrophobicContact CG-CG2 3.97Å; V669-V671 HydrophobicContact CG1-CG2 4.09Å
670	F	83.8	Confident	83.8	Confident	6 Å²	6	34.1 Å²	34.1	3%	0.026	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	113.2	176.4	-57.1	-104.6	0	0	0	108.2	I591 I597 I625 V627 M662 F663 T665 R668	I591-F670 HydrophobicContact CD1-CB 3.47Å; I591-F670 VanDerWaalsContact CD1-CB 3.47Å; I591-F670 HydrophobicContact CD1-CD1 3.71Å; I591-F670 HydrophobicContact CD1-CG 3.68Å; I591-F670 HydrophobicContact CG2-CD1 4.34Å; I591-F670 HydrophobicContact CG2-CD2 4.44Å; I591-F670 HydrophobicContact CG2-CE1 4.29Å; I591-F670 HydrophobicContact CG2-CE2 4.39Å; I591-F670 HydrophobicContact CG2-CG 4.43Å; I591-F670 HydrophobicContact CG2-CZ 4.31Å; I597-F670 HydrophobicContact CD1-CD1 3.87Å; I597-F670 HydrophobicContact CD1-CE1 3.72Å; I625-F670 HydrophobicContact CG2-CB 4.32Å; I625-F670 HydrophobicContact CG2-CD1 4.25Å; V627-F670 HydrophobicContact CB-CD1 4.45Å; V627-F670 HydrophobicContact CG1-CD1 4.15Å; V627-F670 HydrophobicContact CG1-CE1 3.87Å; V627-F670 HydrophobicContact CG1-CZ 4.45Å; V627-F670 HydrophobicContact CG2-CD1 3.77Å; V627-F670 HydrophobicContact CG2-CE1 4.02Å; M662-F670 WeakPolarHBondContact CA-O 3.26Å; F663-F670 HydrophobicContact CB-CB 4.29Å; F663-F670 HydrophobicContact CB-CD2 4.42Å; F663-F670 PolarHBondContact N-O 3.11Å; F663-F670 PolarHBondContact O-N 2.74Å; T665-F670 HydrophobicContact CG2-CE2 4.01Å; R668-F670 HydrophobicContact CB-CD2 4.36Å; R668-F670 HydrophobicContact CB-CE2 3.69Å; R668-F670 HydrophobicContact CB-CZ 4.17Å
671	V	83.7	Confident	83.9	Confident	4 Å²	4	33.2 Å²	33.2	2%	0.024	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	116.5	175.1	-170.1	0	0	0	0	108.3	I625 K626 L641 V645 L659 V669 M673	I625-V671 WeakPolarHBondContact CA-O 3.49Å; K626-V671 HydrophobicContact CB-CB 4.19Å; K626-V671 PolarHBondContact N-O 2.74Å; K626-V671 PolarHBondContact O-N 2.8Å; L641-V671 HydrophobicContact CD1-CG2 4.19Å; V645-V671 HydrophobicContact CG2-CG2 4.35Å; L659-V671 HydrophobicContact CD1-CG1 3.39Å; V669-V671 HydrophobicContact CG1-CG2 4.09Å; V671-M673 HydrophobicContact CG1-CG 4.38Å
672	V	87.7	Confident	83.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	126.7	-178.2	-173.3	0	0	0	0	109.4	I591 Y595 V623 I625 E660 C661 F663	I591-V672 HydrophobicContact CD1-CG2 4.29Å; Y595-V672 HydrophobicContact CD1-CG1 4.28Å; Y595-V672 HydrophobicContact CD2-CG2 4.49Å; Y595-V672 HydrophobicContact CE1-CG1 3.74Å; Y595-V672 HydrophobicContact CE2-CG2 4.31Å; V623-V672 HydrophobicContact CB-CG1 3.99Å; V623-V672 HydrophobicContact CG1-CG1 4.07Å; V623-V672 HydrophobicContact CG2-CG1 4.26Å; I625-V672 HydrophobicContact CG1-CG1 4.37Å; I625-V672 HydrophobicContact CG1-CG2 4.33Å; E660-V672 HydrophobicContact CB-CG1 4.27Å; E660-V672 PolarHBondContact N-O 2.85Å; C661-V672 PolarHBondContact N-O 3.49Å; C661-V672 PolarHBondContact O-N 3.4Å; F663-V672 HydrophobicContact CD2-CG2 4.22Å; F663-V672 HydrophobicContact CE2-CG2 4.09Å
673	M	89.3	Confident	84.2	Confident	20 Å²	20	39.2 Å²	39.2	10%	0.099	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	164.8	-177.2	-64	167.3	-69.5	0	0	110.2	V623 A624 K626 V657 N658 V671	V623-M673 WeakPolarHBondContact CB-O 3.05Å; A624-M673 PolarHBondContact N-O 2.69Å; A624-M673 PolarHBondContact O-N 3.5Å; K626-M673 HydrophobicContact CB-CE 3.87Å; V657-M673 HydrophobicContact CG2-CB 4.12Å; V657-M673 HydrophobicContact CG2-CG 4.47Å; V657-M673 HydrophobicContact CG2-SD 4.38Å; N658-M673 WeakPolarHBondContact O-CA 3.39Å; V671-M673 HydrophobicContact CG1-CG 4.38Å
674	E	88.9	Confident	84.2	Confident	45 Å²	45	39.2 Å²	39.2	21%	0.21	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	148.5	165.4	63.9	-179.7	130	0	0	111.5	V657 N658 L676 K738	V657-E674 HydrophobicContact CG2-CG 3.9Å; N658-E674 HydrophobicContact CB-CG 4.22Å; N658-E674 VanDerWaalsContact CB-OE1 3.24Å; N658-E674 WeakPolarHBondContact CB-OE1 3.47Å; N658-E674 PolarHBondContact N-OE1 3.22Å; N658-E674 PolarHBondContact O-N 2.9Å; E674-L676 HydrophobicContact CG-CD1 4.28Å; E674-L676 HydrophobicContact CG-CD2 3.91Å; E674-L676 WeakPolarHBondContact O-CD2 3.42Å; E674-K738 WeakPolarHBondContact OE1-CD 3.2Å; E674-K738 VanDerWaalsContact OE1-CE 3.3Å; E674-K738 WeakPolarHBondContact OE1-CE 3.3Å; E674-K738 IonicContact OE1-NZ 2.71Å; E674-K738 PolarHBondContact OE1-NZ 3.1Å; E674-K738 VanDerWaalsContact OE2-CE 3.25Å; E674-K738 WeakPolarHBondContact OE2-CE 3.49Å; E674-K738 IonicContact OE2-NZ 2.68Å; E674-K738 PolarHBondContact OE2-NZ 3.37Å
675	K	91.6	Very high	84	Confident	63 Å²	63	39 Å²	39	27%	0.274	20%	0.2	S	C	.	.	P	Polyproline II helix	trans	-95.6	124.7	175.2	-167.8	-174.8	-178.6	-176.3	0	109.9	E601 L603 D622	E601-K675 WeakPolarHBondContact OE1-CE 3.35Å; E601-K675 IonicContact OE1-NZ 2.85Å; E601-K675 PolarHBondContact OE1-NZ 3.1Å; L603-K675 HydrophobicContact CD1-CG 4.16Å; D622-K675 HydrophobicContact CB-CB 4.32Å; D622-K675 HydrophobicContact CB-CD 3.71Å
676	L	92	Very high	84.2	Confident	27 Å²	27	40.9 Å²	40.9	14%	0.141	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-97.7	167.9	175.7	-62.6	-45.6	0	0	0	110.5	V657 E674 L727 A729 K738	V657-L676 HydrophobicContact CG2-CD2 4.09Å; E674-L676 HydrophobicContact CG-CD1 4.28Å; E674-L676 HydrophobicContact CG-CD2 3.91Å; E674-L676 WeakPolarHBondContact O-CD2 3.42Å; L676-L727 HydrophobicContact CB-CB 3.95Å; L676-L727 HydrophobicContact CB-CD1 4.28Å; L676-L727 HydrophobicContact CD2-CB 4.35Å; L676-L727 HydrophobicContact CD2-CD1 3.68Å; L676-L727 HydrophobicContact CG-CB 3.81Å; L676-L727 HydrophobicContact CG-CD1 4.05Å; L676-A729 HydrophobicContact CD1-CB 4.35Å; L676-K738 HydrophobicContact CD1-CD 3.71Å
677	H	89.8	Confident	84.6	Confident	119 Å²	119	38.2 Å²	38.2	55%	0.551	20%	0.199	S	C	*	.	S	Bend	trans	-74.9	-45.2	-175.9	176.6	60.4	0	0	0	112.7	L728 A731	H677-L728 WeakPolarHBondContact CB-O 3.41Å; H677-L728 PolarHBondContact N-O 3.27Å; H677-A731 WeakPolarHBondContact NE2-CB 3.37Å
678	G	88.2	Confident	84.7	Confident	16 Å²	16	42.1 Å²	42.1	17%	0.165	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.9	-165.1	-177.1	0	0	0	0	0	110.9	L727 L728	G678-L727 WeakPolarHBondContact O-CA 3.32Å; G678-L728 PolarHBondContact O-N 3.43Å
679	D	88.9	Confident	84.5	Confident	45 Å²	45	47.8 Å²	47.8	24%	0.241	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	166.4	-179.9	74.7	53.7	0	0	0	113.5	L681 E682 M683 L727	D679-L681 VanDerWaalsContact C-N 3.3Å; D679-L681 PolarHBondContact O-N 3.49Å; D679-L681 VanDerWaalsContact OD1-CA 3.27Å; D679-L681 WeakPolarHBondContact OD1-CA 3.44Å; D679-L681 WeakPolarHBondContact OD1-CB 3.4Å; D679-L681 PolarHBondContact OD1-N 3.49Å; D679-E682 PolarHBondContact O-N 3.34Å; D679-E682 PolarHBondContact OD1-N 3.49Å; D679-M683 PolarHBondContact O-N 2.99Å; D679-M683 VanDerWaalsContact O-N 3.1Å; D679-L727 HydrophobicContact CB-CD2 3.84Å
680	M	91.2	Very high	84.4	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-68.2	-26.3	-178	-170.3	-172.2	-174.2	0	0	112.7	M683 I684 L692 L700 I704 P723 V726 I786 S790	M680-M683 PolarHBondContact O-N 2.7Å; M680-I684 HydrophobicContact CG-CD1 4.24Å; M680-I684 WeakPolarHBondContact O-CD1 3.49Å; M680-I684 WeakPolarHBondContact O-CG1 3.43Å; M680-I684 PolarHBondContact O-N 2.86Å; M680-L692 HydrophobicContact CE-CD1 4.23Å; M680-L700 HydrophobicContact CE-CB 4.15Å; M680-L700 HydrophobicContact CE-CD1 3.87Å; M680-L700 HydrophobicContact CG-CD1 4.47Å; M680-I704 HydrophobicContact SD-CD1 4.2Å; M680-P723 HydrophobicContact CB-CB 3.99Å; M680-P723 WeakPolarHBondContact CB-O 3.46Å; M680-P723 HydrophobicContact CG-CB 4.27Å; M680-P723 PolarHBondContact N-O 3.02Å; M680-P723 HydrophobicContact SD-CB 4.4Å; M680-V726 HydrophobicContact CB-CB 3.91Å; M680-V726 HydrophobicContact CB-CG1 4.01Å; M680-V726 PolarHBondContact N-O 3.31Å; M680-V726 HydrophobicContact SD-CB 4.27Å; M680-V726 HydrophobicContact SD-CG1 3.99Å; M680-I786 HydrophobicContact CE-CG2 3.95Å; M680-I786 HydrophobicContact SD-CG2 3.9Å; M680-S790 WeakPolarHBondContact CE-OG 3.34Å
681	L	85.6	Confident	84.5	Confident	32 Å²	32	50.6 Å²	50.6	17%	0.168	26%	0.257	C	S	.	.	H	α-helix	trans	-69.7	-40.1	173.3	-173.4	62.3	0	0	0	110.9	D679 M683 I684 L685 P723 E724	D679-L681 VanDerWaalsContact C-N 3.3Å; D679-L681 PolarHBondContact O-N 3.49Å; D679-L681 VanDerWaalsContact OD1-CA 3.27Å; D679-L681 WeakPolarHBondContact OD1-CA 3.44Å; D679-L681 WeakPolarHBondContact OD1-CB 3.4Å; D679-L681 PolarHBondContact OD1-N 3.49Å; L681-M683 VanDerWaalsContact C-N 3.33Å; L681-I684 PolarHBondContact O-N 3.49Å; L681-L685 HydrophobicContact CD1-CD1 3.96Å; L681-L685 HydrophobicContact CD1-CG 4.18Å; L681-L685 HydrophobicContact CD2-CD1 4.34Å; L681-L685 HydrophobicContact CG-CD1 3.75Å; L681-L685 HydrophobicContact CG-CG 4.35Å; L681-L685 WeakPolarHBondContact O-CB 3.31Å; L681-L685 WeakPolarHBondContact O-CG 3.21Å; L681-L685 PolarHBondContact O-N 3.11Å; L681-P723 HydrophobicContact CB-CB 4.01Å; L681-E724 HydrophobicContact CB-CG 4.08Å; L681-E724 HydrophobicContact CD2-CG 3.58Å; L681-E724 HydrophobicContact CG-CG 4.46Å
682	E	81.1	Confident	84.9	Confident	117 Å²	117	50.8 Å²	50.8	55%	0.547	26%	0.258	S	S	.	.	H	α-helix	trans	-61.2	-41.5	172.1	-175.3	168	-149.6	0	0	111.2	D679 L685 S686	D679-E682 PolarHBondContact O-N 3.34Å; D679-E682 PolarHBondContact OD1-N 3.49Å; E682-L685 PolarHBondContact O-N 2.98Å; E682-S686 VanDerWaalsContact O-CB 3.23Å; E682-S686 WeakPolarHBondContact O-CB 3.35Å; E682-S686 PolarHBondContact O-N 3Å; E682-S686 PolarHBondContact O-OG 2.95Å
683	M	88.3	Confident	85.3	Confident	31 Å²	31	54.3 Å²	54.3	15%	0.153	28%	0.281	C	S	.	.	H	α-helix	trans	-62.7	-43.9	174.8	-160.3	-167.2	-166.1	0	0	112.7	D679 M680 L681 L685 S686 S687 L692 I696 L700 L728	D679-M683 PolarHBondContact O-N 2.99Å; D679-M683 VanDerWaalsContact O-N 3.1Å; M680-M683 PolarHBondContact O-N 2.7Å; L681-M683 VanDerWaalsContact C-N 3.33Å; M683-L685 VanDerWaalsContact C-N 3.34Å; M683-L685 PolarHBondContact O-N 3.31Å; M683-S686 PolarHBondContact O-OG 3.21Å; M683-S687 PolarHBondContact O-N 3.11Å; M683-L692 HydrophobicContact CG-CD2 4.06Å; M683-L692 HydrophobicContact SD-CD1 4.34Å; M683-L692 HydrophobicContact SD-CD2 4.25Å; M683-I696 HydrophobicContact CE-CG2 3.88Å; M683-I696 HydrophobicContact SD-CG2 4.42Å; M683-L700 HydrophobicContact SD-CD1 3.8Å; M683-L728 HydrophobicContact CB-CD1 3.73Å; M683-L728 HydrophobicContact CG-CD1 4.02Å; M683-L728 HydrophobicContact SD-CD1 3.67Å
684	I	81.9	Confident	85.7	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-61.1	-43.1	176	-70.5	160.9	0	0	0	110.9	M680 L681 S687 S690 K691 L692 P723 V789	M680-I684 HydrophobicContact CG-CD1 4.24Å; M680-I684 WeakPolarHBondContact O-CD1 3.49Å; M680-I684 WeakPolarHBondContact O-CG1 3.43Å; M680-I684 PolarHBondContact O-N 2.86Å; L681-I684 PolarHBondContact O-N 3.49Å; I684-S687 WeakPolarHBondContact O-CB 3.23Å; I684-S690 CarbonylContact O-C 3.59Å; I684-S690 VanDerWaalsContact O-CA 3.27Å; I684-S690 WeakPolarHBondContact O-CA 3.49Å; I684-K691 PolarHBondContact O-N 3.14Å; I684-L692 HydrophobicContact CG1-CD1 3.78Å; I684-L692 HydrophobicContact CG1-CG 3.83Å; I684-P723 HydrophobicContact CD1-CB 4.19Å; I684-P723 HydrophobicContact CD1-CG 4.3Å; I684-V789 HydrophobicContact CD1-CG1 4.44Å
685	L	75.2	Confident	86.1	Confident	36 Å²	36	58.4 Å²	58.4	19%	0.188	30%	0.295	C	S	.	.	H	α-helix	trans	-85	-22.3	-173.4	-67.1	173.3	0	0	0	114.8	L681 E682 M683	L681-L685 HydrophobicContact CD1-CD1 3.96Å; L681-L685 HydrophobicContact CD1-CG 4.18Å; L681-L685 HydrophobicContact CD2-CD1 4.34Å; L681-L685 HydrophobicContact CG-CD1 3.75Å; L681-L685 HydrophobicContact CG-CG 4.35Å; L681-L685 WeakPolarHBondContact O-CB 3.31Å; L681-L685 WeakPolarHBondContact O-CG 3.21Å; L681-L685 PolarHBondContact O-N 3.11Å; E682-L685 PolarHBondContact O-N 2.98Å; M683-L685 VanDerWaalsContact C-N 3.34Å; M683-L685 PolarHBondContact O-N 3.31Å
686	S	78.6	Confident	86.4	Confident	85 Å²	85	56.6 Å²	56.6	59%	0.594	29%	0.288	S	S	*	.	H	α-helix	trans	-83.3	-18.4	174.9	56.1	0	0	0	0	113.1	E682 M683	E682-S686 VanDerWaalsContact O-CB 3.23Å; E682-S686 WeakPolarHBondContact O-CB 3.35Å; E682-S686 PolarHBondContact O-N 3Å; E682-S686 PolarHBondContact O-OG 2.95Å; M683-S686 PolarHBondContact O-OG 3.21Å
687	S	81	Confident	86.6	Confident	35 Å²	35	55.3 Å²	55.3	25%	0.245	28%	0.282	C	S	.	.	S	Bend	trans	-55.2	137.6	167	175.6	0	0	0	0	111.7	M683 I684 K689 S690 K691	M683-S687 PolarHBondContact O-N 3.11Å; I684-S687 WeakPolarHBondContact O-CB 3.23Å; S687-K689 PolarHBondContact O-N 3.07Å; S687-S690 PolarHBondContact O-N 2.88Å; S687-K691 VanDerWaalsContact CB-O 3.29Å; S687-K691 WeakPolarHBondContact CB-O 3.46Å; S687-K691 PolarHBondContact OG-O 3.26Å
688	E	75.3	Confident	87	Confident	173 Å²	173	51 Å²	51	81%	0.808	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	-33.7	177.1	-177.6	-167.5	-137.4	0	0	113.3
689	K	72.8	Confident	87.5	Confident	145 Å²	145	50.2 Å²	50.2	63%	0.63	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	5.9	-175	-63.4	172.4	-173.7	169.7	0	113	S687 K691	S687-K689 PolarHBondContact O-N 3.07Å; K689-K691 HydrophobicContact CB-CG 3.91Å; K689-K691 PolarHBondContact O-N 2.65Å; K689-K691 VanDerWaalsContact O-N 3.16Å
690	S	77.9	Confident	88	Confident	22 Å²	22	48 Å²	48	15%	0.154	24%	0.242	C	C	.	.	S	Bend	trans	52.8	29.3	-173.3	-51.5	0	0	0	0	114	L421 I684 S687 G793	L421-S690 PolarHBondContact O-OG 2.68Å; I684-S690 CarbonylContact O-C 3.59Å; I684-S690 VanDerWaalsContact O-CA 3.27Å; I684-S690 WeakPolarHBondContact O-CA 3.49Å; S687-S690 PolarHBondContact O-N 2.88Å; S690-G793 VanDerWaalsContact O-CA 3.29Å; S690-G793 WeakPolarHBondContact O-CA 3.43Å
691	K	84.7	Confident	88.3	Confident	45 Å²	45	48 Å²	48	20%	0.196	24%	0.242	C	C	.	.	S	Bend	trans	-152	158	177.1	62.3	153.6	179.3	164.7	0	110.2	I684 S687 K689 L791 P818	I684-K691 PolarHBondContact O-N 3.14Å; S687-K691 VanDerWaalsContact CB-O 3.29Å; S687-K691 WeakPolarHBondContact CB-O 3.46Å; S687-K691 PolarHBondContact OG-O 3.26Å; K689-K691 HydrophobicContact CB-CG 3.91Å; K689-K691 PolarHBondContact O-N 2.65Å; K689-K691 VanDerWaalsContact O-N 3.16Å; K691-L791 WeakPolarHBondContact CD-O 3.39Å; K691-P818 HydrophobicContact CD-CB 4.42Å; K691-P818 HydrophobicContact CD-CG 4.49Å
692	L	93.6	Very high	89	Confident	9 Å²	9	47 Å²	47	5%	0.047	24%	0.237	C	C	.	.			trans	-93.7	150.5	177.3	-61.9	178.9	0	0	0	111.7	M680 M683 I684 I696 T697 L700 S790	M680-L692 HydrophobicContact CE-CD1 4.23Å; M683-L692 HydrophobicContact CG-CD2 4.06Å; M683-L692 HydrophobicContact SD-CD1 4.34Å; M683-L692 HydrophobicContact SD-CD2 4.25Å; I684-L692 HydrophobicContact CG1-CD1 3.78Å; I684-L692 HydrophobicContact CG1-CG 3.83Å; L692-I696 HydrophobicContact CD1-CG2 4.42Å; L692-T697 WeakPolarHBondContact CB-OG1 3.43Å; L692-L700 HydrophobicContact CD1-CD1 3.84Å; L692-S790 PolarHBondContact N-O 3.17Å
693	P	95.7	Very high	89.8	Confident	74 Å²	74	41.5 Å²	41.5	48%	0.481	21%	0.211	S	C	.	.			trans	-63.4	155.2	164.9	-18.9	32	0	0	0	111.7	R695 I696 T697	P693-R695 PolarHBondContact O-N 3.16Å; P693-I696 HydrophobicContact CG-CD1 4.23Å; P693-I696 PolarHBondContact O-N 3.45Å; P693-T697 PolarHBondContact O-N 2.9Å; P693-T697 PolarHBondContact O-OG1 3.31Å
694	E	97.1	Very high	90.3	Very high	42 Å²	42	40 Å²	40	20%	0.196	20%	0.204	C	C	.	.	H	α-helix	trans	-57.9	-47.5	176.7	-77.6	-172.9	-120.3	0	0	112.5	I696 T697 K698 L791 I822 S823 W852	E694-I696 PolarHBondContact O-N 3.35Å; E694-T697 CarbonylContact O-C 3.59Å; E694-T697 WeakPolarHBondContact O-CA 3.07Å; E694-T697 WeakPolarHBondContact O-CB 3.38Å; E694-T697 PolarHBondContact O-N 2.81Å; E694-K698 WeakPolarHBondContact O-CG 3.41Å; E694-K698 PolarHBondContact O-N 2.86Å; E694-L791 HydrophobicContact CB-CD2 4.37Å; E694-L791 HydrophobicContact CG-CD1 4.44Å; E694-L791 HydrophobicContact CG-CD2 3.65Å; E694-I822 WeakPolarHBondContact OE1-CA 3.38Å; E694-S823 PolarHBondContact OE1-N 3.35Å; E694-S823 WeakPolarHBondContact OE2-CB 3.47Å; E694-S823 PolarHBondContact OE2-OG 3.02Å; E694-W852 HydrophobicContact CG-CZ2 4.36Å; E694-W852 PolarHBondContact OE2-NE1 2.87Å
695	R	97.1	Very high	91.1	Very high	109 Å²	109	40 Å²	40	41%	0.411	20%	0.203	S	C	.	.	H	α-helix	trans	-51.3	-49.1	179.5	-177	175.9	170.9	-175	-5.5	113	P693 F699 F734 Q857 D861	P693-R695 PolarHBondContact O-N 3.16Å; R695-F699 WeakPolarHBondContact O-CB 3.42Å; R695-F699 PolarHBondContact O-N 2.91Å; R695-F734 HydrophobicContact CG-CE1 4.18Å; R695-F734 HydrophobicContact CG-CZ 4.11Å; R695-Q857 HydrophobicContact CG-CG 4.44Å; R695-Q857 VanDerWaalsContact CZ-CD 3.45Å; R695-D861 WeakPolarHBondContact CD-OD2 3.32Å; R695-D861 WeakPolarHBondContact CG-OD2 3.23Å; R695-D861 IonicContact CZ-OD1 2.66Å; R695-D861 IonicContact CZ-OD2 3.7Å; R695-D861 IonicContact NE-OD1 3.32Å; R695-D861 PolarHBondContact NE-OD1 2.73Å; R695-D861 IonicContact NE-OD2 3.65Å; R695-D861 PolarHBondContact NE-OD2 3.14Å; R695-D861 IonicContact NH2-OD1 2.65Å; R695-D861 PolarHBondContact NH2-OD1 3.02Å; R695-D861 IonicContact NH2-OD2 3.23Å
696	I	97.4	Very high	92.2	Very high	25 Å²	25	38.4 Å²	38.4	13%	0.128	20%	0.195	C	C	.	.	H	α-helix	trans	-66	-42.2	176	-62.8	-178.6	0	0	0	110.5	M683 L692 P693 E694 F699 L700 P733 F734	M683-I696 HydrophobicContact CE-CG2 3.88Å; M683-I696 HydrophobicContact SD-CG2 4.42Å; L692-I696 HydrophobicContact CD1-CG2 4.42Å; P693-I696 HydrophobicContact CG-CD1 4.23Å; P693-I696 PolarHBondContact O-N 3.45Å; E694-I696 PolarHBondContact O-N 3.35Å; I696-F699 PolarHBondContact O-N 3.07Å; I696-L700 HydrophobicContact CG2-CD1 3.82Å; I696-L700 HydrophobicContact CG2-CG 4.27Å; I696-L700 VanDerWaalsContact O-CG 3.3Å; I696-L700 WeakPolarHBondContact O-CG 3.08Å; I696-L700 PolarHBondContact O-N 2.81Å; I696-P733 HydrophobicContact CD1-CB 4.17Å; I696-F734 HydrophobicContact CG1-CE1 4.3Å; I696-F734 HydrophobicContact CG1-CZ 4.3Å
697	T	97.9	Very high	93.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-64.2	-43.6	-179.2	-50.1	0	0	0	0	111.9	L692 P693 E694 L700 V701 S790 L791 W852	L692-T697 WeakPolarHBondContact CB-OG1 3.43Å; P693-T697 PolarHBondContact O-N 2.9Å; P693-T697 PolarHBondContact O-OG1 3.31Å; E694-T697 CarbonylContact O-C 3.59Å; E694-T697 WeakPolarHBondContact O-CA 3.07Å; E694-T697 WeakPolarHBondContact O-CB 3.38Å; E694-T697 PolarHBondContact O-N 2.81Å; T697-L700 PolarHBondContact O-N 3.47Å; T697-V701 HydrophobicContact CG2-CG2 4.08Å; T697-V701 VanDerWaalsContact O-CB 3.24Å; T697-V701 WeakPolarHBondContact O-CB 3.18Å; T697-V701 WeakPolarHBondContact O-CG2 3.45Å; T697-V701 PolarHBondContact O-N 3.21Å; T697-S790 VanDerWaalsContact CG2-CB 3.48Å; T697-L791 HydrophobicContact CG2-CD2 3.89Å; T697-L791 HydrophobicContact CG2-CG 4.18Å; T697-L791 WeakPolarHBondContact OG1-CD2 3.47Å; T697-W852 HydrophobicContact CG2-CH2 3.96Å
698	K	98.4	Very high	93.9	Very high	27 Å²	27	32.7 Å²	32.7	12%	0.117	16%	0.155	C	C	.	.	H	α-helix	trans	-56.2	-52.7	174.2	-68.2	179.8	-176.8	-150.4	0	110.8	E694 L700 V701 T702 W852 L853 D855 T858	E694-K698 WeakPolarHBondContact O-CG 3.41Å; E694-K698 PolarHBondContact O-N 2.86Å; K698-L700 PolarHBondContact O-N 2.89Å; K698-V701 PolarHBondContact O-N 3.43Å; K698-T702 PolarHBondContact O-N 3.28Å; K698-T702 PolarHBondContact O-OG1 3.43Å; K698-T702 VanDerWaalsContact O-OG1 3.12Å; K698-W852 WeakPolarHBondContact CD-O 3.26Å; K698-W852 WeakPolarHBondContact CE-O 3.32Å; K698-W852 HydrophobicContact CG-CD2 3.98Å; K698-W852 HydrophobicContact CG-CE3 4.14Å; K698-W852 HydrophobicContact CG-CH2 3.87Å; K698-W852 HydrophobicContact CG-CZ2 3.64Å; K698-W852 HydrophobicContact CG-CZ3 4.11Å; K698-W852 PolarHBondContact NZ-O 3.34Å; K698-L853 HydrophobicContact CB-CD2 3.87Å; K698-L853 HydrophobicContact CG-CD2 4.04Å; K698-D855 WeakPolarHBondContact CD-OD2 3.22Å; K698-D855 IonicContact NZ-OD2 3.22Å; K698-D855 PolarHBondContact NZ-OD2 3.18Å; K698-T858 HydrophobicContact CB-CG2 4.13Å; K698-T858 WeakPolarHBondContact CD-OG1 3.42Å
699	F	98.4	Very high	94.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-56.4	-46.2	179.4	173.3	-90.2	0	0	0	113	R695 I696 Q703 F734 P735 D861 L862 F865	R695-F699 WeakPolarHBondContact O-CB 3.42Å; R695-F699 PolarHBondContact O-N 2.91Å; I696-F699 PolarHBondContact O-N 3.07Å; F699-Q703 PolarHBondContact O-N 2.83Å; F699-F734 HydrophobicContact CB-CD1 4.1Å; F699-F734 HydrophobicContact CB-CE1 4.3Å; F699-F734 HydrophobicContact CD1-CB 4.32Å; F699-F734 AromaticContact CD1-CD1 3.8Å; F699-F734 HydrophobicContact CD1-CD1 3.8Å; F699-F734 AromaticContact CD2-CD1 3.8Å; F699-F734 HydrophobicContact CD2-CD1 3.8Å; F699-F734 VanDerWaalsContact CE1-C 3.45Å; F699-F734 VanDerWaalsContact CE1-CA 3.47Å; F699-F734 HydrophobicContact CE1-CB 3.79Å; F699-F734 HydrophobicContact CE1-CD1 4.12Å; F699-F734 HydrophobicContact CE1-CG 4.48Å; F699-F734 HydrophobicContact CE2-CB 4.16Å; F699-F734 HydrophobicContact CE2-CD1 4.13Å; F699-F734 AromaticContact CG-CD1 3.63Å; F699-F734 HydrophobicContact CG-CD1 3.63Å; F699-F734 HydrophobicContact CG-CE1 4.31Å; F699-F734 HydrophobicContact CZ-CB 3.72Å; F699-F734 HydrophobicContact CZ-CD1 4.29Å; F699-P735 WeakPolarHBondContact CE1-O 3.22Å; F699-D861 HydrophobicContact CD2-CB 3.89Å; F699-D861 HydrophobicContact CE2-CB 4.46Å; F699-D861 WeakPolarHBondContact CE2-O 3.47Å; F699-L862 HydrophobicContact CD2-CD2 3.42Å; F699-L862 VanDerWaalsContact CD2-CD2 3.42Å; F699-L862 HydrophobicContact CD2-CG 4.03Å; F699-L862 HydrophobicContact CE2-CD2 3.68Å; F699-L862 HydrophobicContact CE2-CG 4.45Å; F699-L862 HydrophobicContact CG-CD2 4.24Å; F699-F865 HydrophobicContact CE2-CB 3.8Å; F699-F865 HydrophobicContact CE2-CG 4.08Å; F699-F865 HydrophobicContact CZ-CB 3.96Å; F699-F865 HydrophobicContact CZ-CD1 4.45Å; F699-F865 AromaticContact CZ-CD2 3.82Å; F699-F865 HydrophobicContact CZ-CD2 3.82Å; F699-F865 HydrophobicContact CZ-CE2 4.44Å; F699-F865 AromaticContact CZ-CG 3.82Å; F699-F865 HydrophobicContact CZ-CG 3.82Å
700	L	98.4	Very high	96	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-67	-43.6	176.5	-64	172.1	0	0	0	111.7	M680 M683 L692 I696 T697 K698 Q703 I704 L728 P735 V737	M680-L700 HydrophobicContact CE-CB 4.15Å; M680-L700 HydrophobicContact CE-CD1 3.87Å; M680-L700 HydrophobicContact CG-CD1 4.47Å; M683-L700 HydrophobicContact SD-CD1 3.8Å; L692-L700 HydrophobicContact CD1-CD1 3.84Å; I696-L700 HydrophobicContact CG2-CD1 3.82Å; I696-L700 HydrophobicContact CG2-CG 4.27Å; I696-L700 VanDerWaalsContact O-CG 3.3Å; I696-L700 WeakPolarHBondContact O-CG 3.08Å; I696-L700 PolarHBondContact O-N 2.81Å; T697-L700 PolarHBondContact O-N 3.47Å; K698-L700 PolarHBondContact O-N 2.89Å; L700-Q703 PolarHBondContact O-N 2.9Å; L700-I704 WeakPolarHBondContact O-CG1 3.32Å; L700-I704 PolarHBondContact O-N 3.47Å; L700-L728 HydrophobicContact CD2-CD2 4.05Å; L700-P735 HydrophobicContact CD2-CG 4.08Å; L700-V737 HydrophobicContact CB-CG2 4.25Å; L700-V737 HydrophobicContact CD2-CG2 3.41Å; L700-V737 VanDerWaalsContact CD2-CG2 3.41Å; L700-V737 HydrophobicContact CG-CG2 4.43Å
701	V	98.5	Very high	96.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-66.7	-38.6	-178.2	168.9	0	0	0	0	111.8	T697 K698 Q703 I704 L705 V783 V787 W852 L853	T697-V701 HydrophobicContact CG2-CG2 4.08Å; T697-V701 VanDerWaalsContact O-CB 3.24Å; T697-V701 WeakPolarHBondContact O-CB 3.18Å; T697-V701 WeakPolarHBondContact O-CG2 3.45Å; T697-V701 PolarHBondContact O-N 3.21Å; K698-V701 PolarHBondContact O-N 3.43Å; V701-Q703 VanDerWaalsContact C-N 3.33Å; V701-Q703 PolarHBondContact O-N 2.84Å; V701-I704 PolarHBondContact O-N 2.84Å; V701-L705 HydrophobicContact CG1-CD1 3.8Å; V701-L705 HydrophobicContact CG1-CG 4.28Å; V701-L705 WeakPolarHBondContact O-CB 3.31Å; V701-L705 VanDerWaalsContact O-CG 3.24Å; V701-L705 WeakPolarHBondContact O-CG 3.08Å; V701-L705 PolarHBondContact O-N 2.88Å; V701-V783 HydrophobicContact CG1-CG1 4.24Å; V701-V787 HydrophobicContact CG1-CG2 4.17Å; V701-V787 HydrophobicContact CG2-CG2 3.85Å; V701-W852 HydrophobicContact CG1-CZ3 4.48Å; V701-L853 HydrophobicContact CG1-CD1 4.36Å
702	T	98.6	Very high	97.2	Very high	11 Å²	11	22 Å²	22	7%	0.067	10%	0.101	C	C	.	.	H	α-helix	trans	-60.7	-41.5	173.5	-61.1	0	0	0	0	111.4	K698 L705 V706 L848 L862 I874	K698-T702 PolarHBondContact O-N 3.28Å; K698-T702 PolarHBondContact O-OG1 3.43Å; K698-T702 VanDerWaalsContact O-OG1 3.12Å; T702-L705 PolarHBondContact O-N 3.02Å; T702-V706 WeakPolarHBondContact O-CG2 3.4Å; T702-V706 PolarHBondContact O-N 3.16Å; T702-L848 HydrophobicContact CG2-CD2 3.96Å; T702-L862 HydrophobicContact CG2-CD1 3.79Å; T702-I874 HydrophobicContact CG2-CG2 3.71Å
703	Q	98.5	Very high	97.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-64.6	-42.9	173.9	-70.8	-173.8	71.5	0	0	112.9	F699 L700 V701 L705 V706 A707 P735 V737 Y873 I874	F699-Q703 PolarHBondContact O-N 2.83Å; L700-Q703 PolarHBondContact O-N 2.9Å; V701-Q703 VanDerWaalsContact C-N 3.33Å; V701-Q703 PolarHBondContact O-N 2.84Å; Q703-L705 VanDerWaalsContact C-N 3.3Å; Q703-L705 PolarHBondContact O-N 3.34Å; Q703-V706 PolarHBondContact O-N 3.35Å; Q703-A707 PolarHBondContact O-N 3.24Å; Q703-P735 PolarHBondContact NE2-O 3.49Å; Q703-V737 HydrophobicContact CB-CB 3.8Å; Q703-V737 HydrophobicContact CB-CG1 4.42Å; Q703-V737 HydrophobicContact CB-CG2 4.11Å; Q703-Y873 PolarHBondContact OE1-OH 2.76Å; Q703-I874 HydrophobicContact CG-CD1 3.69Å; Q703-I874 HydrophobicContact CG-CG1 4.48Å
704	I	98.6	Very high	97	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-57.2	-46.1	174	-65.9	167.6	0	0	0	110.1	M680 L700 V701 A707 L708 L721 V726 V737 L739 V783 I786	M680-I704 HydrophobicContact SD-CD1 4.2Å; L700-I704 WeakPolarHBondContact O-CG1 3.32Å; L700-I704 PolarHBondContact O-N 3.47Å; V701-I704 PolarHBondContact O-N 2.84Å; I704-A707 PolarHBondContact O-N 3.1Å; I704-L708 HydrophobicContact CG2-CD1 3.97Å; I704-L708 HydrophobicContact CG2-CG 4.38Å; I704-L708 WeakPolarHBondContact O-CG 3Å; I704-L708 PolarHBondContact O-N 3.37Å; I704-L721 HydrophobicContact CG2-CD1 4.5Å; I704-L721 HydrophobicContact CG2-CD2 4.2Å; I704-V726 HydrophobicContact CD1-CG1 3.95Å; I704-V726 HydrophobicContact CD1-CG2 4.03Å; I704-V726 HydrophobicContact CG1-CG1 4.06Å; I704-V726 HydrophobicContact CG1-CG2 4.37Å; I704-V737 HydrophobicContact CG1-CG1 3.92Å; I704-L739 HydrophobicContact CG1-CD2 4.42Å; I704-L739 HydrophobicContact CG2-CD2 4.43Å; I704-V783 HydrophobicContact CG2-CG2 4.13Å; I704-I786 HydrophobicContact CD1-CG2 4.33Å
705	L	98.6	Very high	96.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.9	-41.6	-179.8	-72.1	166.4	0	0	0	112.3	V701 T702 Q703 L708 R709 M780 V783 V844 C847 L848 L853	V701-L705 HydrophobicContact CG1-CD1 3.8Å; V701-L705 HydrophobicContact CG1-CG 4.28Å; V701-L705 WeakPolarHBondContact O-CB 3.31Å; V701-L705 VanDerWaalsContact O-CG 3.24Å; V701-L705 WeakPolarHBondContact O-CG 3.08Å; V701-L705 PolarHBondContact O-N 2.88Å; T702-L705 PolarHBondContact O-N 3.02Å; Q703-L705 VanDerWaalsContact C-N 3.3Å; Q703-L705 PolarHBondContact O-N 3.34Å; L705-L708 CarbonylContact O-C 3.06Å; L705-L708 PolarHBondContact O-N 2.77Å; L705-R709 PolarHBondContact O-N 3.49Å; L705-M780 HydrophobicContact CD2-CE 3.69Å; L705-M780 HydrophobicContact CD2-SD 4.35Å; L705-V783 HydrophobicContact CD2-CG1 4.38Å; L705-V844 HydrophobicContact CB-CG1 4.25Å; L705-V844 HydrophobicContact CD2-CG1 4.38Å; L705-V844 WeakPolarHBondContact O-CG1 3.39Å; L705-C847 HydrophobicContact CD1-CB 4.02Å; L705-C847 WeakPolarHBondContact CD1-SG 3.12Å; L705-C847 HydrophobicContact CD2-CB 3.85Å; L705-L848 HydrophobicContact CB-CD2 3.64Å; L705-L848 HydrophobicContact CB-CG 3.96Å; L705-L848 HydrophobicContact CD1-CD2 4.01Å; L705-L848 HydrophobicContact CD1-CG 4.32Å; L705-L848 HydrophobicContact CG-CD2 4.49Å; L705-L853 HydrophobicContact CD1-CD1 3.45Å; L705-L853 VanDerWaalsContact CD1-CD1 3.45Å
706	V	98.2	Very high	96.2	Very high	3 Å²	3	26.6 Å²	26.6	2%	0.018	12%	0.119	C	C	.	.	H	α-helix	trans	-65.3	-38.7	175.7	169.6	0	0	0	0	111.8	T702 Q703 R709 H710 L848 Y873 I874	T702-V706 WeakPolarHBondContact O-CG2 3.4Å; T702-V706 PolarHBondContact O-N 3.16Å; Q703-V706 PolarHBondContact O-N 3.35Å; V706-R709 VanDerWaalsContact O-CB 3.3Å; V706-R709 WeakPolarHBondContact O-CB 3.25Å; V706-R709 PolarHBondContact O-N 3.05Å; V706-H710 PolarHBondContact O-N 2.82Å; V706-L848 HydrophobicContact CG2-CD1 4.4Å; V706-L848 HydrophobicContact CG2-CD2 4.27Å; V706-Y873 HydrophobicContact CG1-CD2 4.34Å; V706-Y873 WeakPolarHBondContact CG1-O 3.38Å; V706-I874 HydrophobicContact CG2-CG2 4.07Å
707	A	97.9	Very high	95.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.3	-42.1	171.6	0	0	0	0	0	112.6	G655 I656 Q703 I704 R709 H710 L711 L739	G655-A707 WeakPolarHBondContact O-CB 3.4Å; I656-A707 HydrophobicContact CG1-CB 4.47Å; Q703-A707 PolarHBondContact O-N 3.24Å; I704-A707 PolarHBondContact O-N 3.1Å; A707-R709 VanDerWaalsContact C-N 3.32Å; A707-R709 PolarHBondContact O-N 2.94Å; A707-H710 PolarHBondContact O-N 2.93Å; A707-L711 WeakPolarHBondContact O-CG 3.32Å; A707-L711 PolarHBondContact O-N 3.38Å; A707-L711 VanDerWaalsContact O-N 3.11Å; A707-L739 HydrophobicContact CB-CD1 3.66Å; A707-L739 HydrophobicContact CB-CG 4.01Å
708	L	97.9	Very high	95.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-63.2	-35.3	172.6	-71.2	173	0	0	0	112.1	I704 L705 H710 L711 H712 L721 L739 D779 M780 V783 V844	I704-L708 HydrophobicContact CG2-CD1 3.97Å; I704-L708 HydrophobicContact CG2-CG 4.38Å; I704-L708 WeakPolarHBondContact O-CG 3Å; I704-L708 PolarHBondContact O-N 3.37Å; L705-L708 CarbonylContact O-C 3.06Å; L705-L708 PolarHBondContact O-N 2.77Å; L708-H710 VanDerWaalsContact C-N 3.34Å; L708-H710 PolarHBondContact O-N 2.94Å; L708-L711 HydrophobicContact CD2-CD1 4.3Å; L708-L711 PolarHBondContact O-N 2.83Å; L708-H712 WeakPolarHBondContact O-CB 3.27Å; L708-H712 PolarHBondContact O-CD2 2.97Å; L708-H712 VanDerWaalsContact O-CG 3.23Å; L708-H712 PolarHBondContact O-N 3.48Å; L708-L721 HydrophobicContact CD1-CD2 3.97Å; L708-L721 HydrophobicContact CD2-CD2 4.43Å; L708-L739 HydrophobicContact CD2-CD1 4.37Å; L708-L739 HydrophobicContact CG-CD1 4.46Å; L708-D779 HydrophobicContact CD1-CB 4.4Å; L708-D779 HydrophobicContact CD2-CB 3.85Å; L708-M780 HydrophobicContact CD1-SD 4.46Å; L708-V783 HydrophobicContact CD1-CG2 3.51Å; L708-V844 HydrophobicContact CB-CG2 3.93Å
709	R	96.8	Very high	95	Very high	105 Å²	105	24.3 Å²	24.3	40%	0.396	11%	0.109	S	C	.	.	H	α-helix	trans	-56.4	-48.3	174.9	-164.6	169.1	59.1	-178.2	-3.3	110.7	L705 V706 A707 F713 V844	L705-R709 PolarHBondContact O-N 3.49Å; V706-R709 VanDerWaalsContact O-CB 3.3Å; V706-R709 WeakPolarHBondContact O-CB 3.25Å; V706-R709 PolarHBondContact O-N 3.05Å; A707-R709 VanDerWaalsContact C-N 3.32Å; A707-R709 PolarHBondContact O-N 2.94Å; R709-F713 VanDerWaalsContact O-CB 3.24Å; R709-F713 WeakPolarHBondContact O-CB 3.46Å; R709-F713 PolarHBondContact O-N 2.76Å; R709-V844 HydrophobicContact CB-CG1 3.79Å; R709-V844 HydrophobicContact CG-CG1 4.3Å
710	H	95.8	Very high	94.4	Very high	45 Å²	45	24.6 Å²	24.6	21%	0.208	11%	0.11	C	C	.	.	H	α-helix	trans	-62.8	-47.4	177.4	-177.7	102.4	0	0	0	112.3	H652 H653 V706 A707 L708 K714	H652-H710 PolarHBondContact O-CE1 3.07Å; H653-H710 AromaticContact CD2-CG 3.92Å; H653-H710 AromaticContact CD2-ND1 3.71Å; H653-H710 AromaticContact CG-CG 3.94Å; H653-H710 AromaticContact CG-ND1 4Å; V706-H710 PolarHBondContact O-N 2.82Å; A707-H710 PolarHBondContact O-N 2.93Å; L708-H710 VanDerWaalsContact C-N 3.34Å; L708-H710 PolarHBondContact O-N 2.94Å; H710-K714 WeakPolarHBondContact NE2-CD 3.33Å; H710-K714 WeakPolarHBondContact NE2-CE 3.26Å; H710-K714 PolarHBondContact O-N 3.35Å; H710-K714 VanDerWaalsContact O-N 3.12Å
711	L	94.9	Very high	94	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.2	-52.1	176.5	-69.2	175.3	0	0	0	111.5	L651 I656 A707 L708 F713 K714 N715 I716 L739 F742	L651-L711 HydrophobicContact CD1-CD2 3.55Å; L651-L711 HydrophobicContact CD2-CD2 3.59Å; L651-L711 HydrophobicContact CG-CD2 4.23Å; I656-L711 HydrophobicContact CD1-CD2 3.81Å; I656-L711 HydrophobicContact CD1-CG 4.08Å; A707-L711 WeakPolarHBondContact O-CG 3.32Å; A707-L711 PolarHBondContact O-N 3.38Å; A707-L711 VanDerWaalsContact O-N 3.11Å; L708-L711 HydrophobicContact CD2-CD1 4.3Å; L708-L711 PolarHBondContact O-N 2.83Å; L711-F713 VanDerWaalsContact C-N 3.34Å; L711-F713 PolarHBondContact O-N 3.24Å; L711-K714 CarbonylContact O-C 3.53Å; L711-K714 WeakPolarHBondContact O-CA 3.06Å; L711-K714 PolarHBondContact O-N 2.93Å; L711-K714 VanDerWaalsContact O-N 3.14Å; L711-N715 PolarHBondContact O-N 3.47Å; L711-I716 CarbonylContact C-O 3.59Å; L711-I716 HydrophobicContact CB-CB 4.36Å; L711-I716 HydrophobicContact CD2-CB 4.22Å; L711-I716 HydrophobicContact CD2-CG2 3.93Å; L711-I716 PolarHBondContact O-N 3.09Å; L711-L739 HydrophobicContact CD1-CD1 4.13Å; L711-F742 HydrophobicContact CD1-CE1 4.05Å; L711-F742 HydrophobicContact CD1-CZ 4.38Å; L711-F742 HydrophobicContact CD2-CE1 3.77Å; L711-F742 HydrophobicContact CD2-CZ 4.34Å
712	H	93.5	Very high	93.5	Very high	12 Å²	12	25.6 Å²	25.6	6%	0.056	12%	0.115	C	C	.	.	H	α-helix	trans	-65.5	-36.3	-176	-74	-165.4	0	0	0	111.7	L708 N715 I716 R776 D779	L708-H712 WeakPolarHBondContact O-CB 3.27Å; L708-H712 PolarHBondContact O-CD2 2.97Å; L708-H712 VanDerWaalsContact O-CG 3.23Å; L708-H712 PolarHBondContact O-N 3.48Å; H712-N715 WeakPolarHBondContact O-CA 3.49Å; H712-N715 PolarHBondContact O-N 3.15Å; H712-N715 VanDerWaalsContact O-N 3.09Å; H712-I716 PolarHBondContact CD2-O 3.07Å; H712-I716 VanDerWaalsContact CD2-O 3.28Å; H712-R776 HydrophobicContact CB-CG 4.32Å; H712-R776 PolarHBondContact CE1-O 2.86Å; H712-R776 PolarHBondContact O-NE 3.29Å; H712-R776 PolarHBondContact O-NH1 2.79Å; H712-R776 PolarHBondContact O-NH2 2.97Å; H712-D779 IonicContact CD2-OD2 3.75Å; H712-D779 IonicContact CE1-OD2 3.66Å; H712-D779 IonicContact NE2-OD2 2.94Å; H712-D779 PolarHBondContact NE2-OD2 3.39Å
713	F	92.8	Very high	92.9	Very high	172 Å²	172	25.1 Å²	25.1	75%	0.754	11%	0.112	S	C	*	.	H	α-helix	trans	-60.6	-47.3	171.3	-179.4	-97	0	0	0	111.7	R709 L711 N715	R709-F713 VanDerWaalsContact O-CB 3.24Å; R709-F713 WeakPolarHBondContact O-CB 3.46Å; R709-F713 PolarHBondContact O-N 2.76Å; L711-F713 VanDerWaalsContact C-N 3.34Å; L711-F713 PolarHBondContact O-N 3.24Å; F713-N715 PolarHBondContact O-N 2.9Å
714	K	91.1	Very high	92.3	Very high	87 Å²	87	28 Å²	28	38%	0.378	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	12.6	171.5	-77	175	173.7	-94.4	0	114.3	N650 L651 H710 L711 I716	N650-K714 PolarHBondContact O-NZ 3.39Å; L651-K714 HydrophobicContact CD2-CD 3.74Å; H710-K714 WeakPolarHBondContact NE2-CD 3.33Å; H710-K714 WeakPolarHBondContact NE2-CE 3.26Å; H710-K714 PolarHBondContact O-N 3.35Å; H710-K714 VanDerWaalsContact O-N 3.12Å; L711-K714 CarbonylContact O-C 3.53Å; L711-K714 WeakPolarHBondContact O-CA 3.06Å; L711-K714 PolarHBondContact O-N 2.93Å; L711-K714 VanDerWaalsContact O-N 3.14Å; K714-I716 HydrophobicContact CB-CD1 4.04Å; K714-I716 PolarHBondContact O-N 3.07Å
715	N	88.4	Confident	91.9	Very high	62 Å²	62	28.5 Å²	28.5	33%	0.332	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	13.1	-176.2	-74.3	-60.2	0	0	0	115.6	L711 H712 F713 I747 I748 R776	L711-N715 PolarHBondContact O-N 3.47Å; H712-N715 WeakPolarHBondContact O-CA 3.49Å; H712-N715 PolarHBondContact O-N 3.15Å; H712-N715 VanDerWaalsContact O-N 3.09Å; F713-N715 PolarHBondContact O-N 2.9Å; N715-I747 HydrophobicContact CB-CG2 4.37Å; N715-I747 CarbonylContact O-C 3.58Å; N715-I748 HydrophobicContact CB-CB 4.05Å; N715-I748 WeakPolarHBondContact O-CB 3.44Å; N715-I748 VanDerWaalsContact O-CG1 3.26Å; N715-I748 WeakPolarHBondContact O-CG1 3.45Å; N715-I748 PolarHBondContact O-N 2.94Å; N715-R776 PolarHBondContact OD1-NH2 2.94Å
716	I	90.1	Very high	91.7	Very high	8 Å²	8	28.5 Å²	28.5	4%	0.041	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	140.9	179.3	-64.5	154.7	0	0	0	110.5	I647 L651 L711 H712 K714 A745 R746 I747	I647-I716 HydrophobicContact CG2-CD1 4.24Å; I647-I716 HydrophobicContact CG2-CG2 4.27Å; L651-I716 HydrophobicContact CD1-CD1 4.35Å; L651-I716 HydrophobicContact CD2-CD1 3.83Å; L651-I716 HydrophobicContact CG-CD1 4.21Å; L711-I716 CarbonylContact C-O 3.59Å; L711-I716 HydrophobicContact CB-CB 4.36Å; L711-I716 HydrophobicContact CD2-CB 4.22Å; L711-I716 HydrophobicContact CD2-CG2 3.93Å; L711-I716 PolarHBondContact O-N 3.09Å; H712-I716 PolarHBondContact CD2-O 3.07Å; H712-I716 VanDerWaalsContact CD2-O 3.28Å; K714-I716 HydrophobicContact CB-CD1 4.04Å; K714-I716 PolarHBondContact O-N 3.07Å; I716-A745 HydrophobicContact CG2-CB 4.36Å; I716-R746 WeakPolarHBondContact CA-O 3.48Å; I716-I747 HydrophobicContact CG1-CG1 4.01Å
717	V	89.8	Confident	91.6	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	137.4	171.6	-173.2	0	0	0	0	108.1	A745 R746 I748 R776 D779	V717-A745 CarbonylContact O-C 3.56Å; V717-A745 WeakPolarHBondContact O-CA 3.47Å; V717-A745 WeakPolarHBondContact O-CB 3.28Å; V717-R746 PolarHBondContact N-O 3.11Å; V717-R746 PolarHBondContact O-N 3.35Å; V717-I748 HydrophobicContact CG2-CD1 3.47Å; V717-I748 VanDerWaalsContact CG2-CD1 3.47Å; V717-I748 HydrophobicContact CG2-CG1 3.72Å; V717-R776 HydrophobicContact CG2-CG 4.43Å; V717-D779 WeakPolarHBondContact CA-OD2 3.3Å; V717-D779 WeakPolarHBondContact CG1-OD1 3.25Å; V717-D779 VanDerWaalsContact CG1-OD2 3.32Å; V717-D779 WeakPolarHBondContact CG1-OD2 3.49Å
718	H	90.9	Very high	91.5	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.138	C	C	.	.			trans	-78.8	-37.4	-175.1	-168.4	-25	0	0	0	113	D720 C740 F744 A745 D779	H718-D720 PolarHBondContact O-N 3.36Å; H718-C740 PolarHBondContact CE1-O 3Å; H718-C740 PolarHBondContact NE2-O 3.2Å; H718-F744 CarbonylContact O-C 3.57Å; H718-A745 PolarHBondContact O-N 3.21Å; H718-D779 PolarHBondContact N-OD1 3.43Å; H718-D779 PolarHBondContact N-OD2 3.3Å
719	C	87	Confident	91.3	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.014	16%	0.155	C	C	.	.	S	Bend	trans	64.6	-7.6	174.8	-54.9	0	0	0	0	118	F744 V758 Y774 D779	C719-F744 HydrophobicContact CB-CB 4.18Å; C719-F744 WeakPolarHBondContact CB-O 3.42Å; C719-V758 HydrophobicContact CB-CG2 4.12Å; C719-Y774 HydrophobicContact CB-CD1 4.42Å; C719-D779 PolarHBondContact N-OD1 3.06Å
720	D	85.2	Confident	91.1	Very high	7 Å²	7	29.1 Å²	29.1	4%	0.037	15%	0.148	C	C	.	.			trans	-146.3	45.9	172.5	-170.1	41.7	0	0	0	110.8	H718 K722 N725 F744 G759 T760	H718-D720 PolarHBondContact O-N 3.36Å; D720-K722 PolarHBondContact O-N 3.29Å; D720-K722 IonicContact OD1-NZ 2.65Å; D720-K722 IonicContact OD2-NZ 2.77Å; D720-K722 PolarHBondContact OD2-NZ 3.48Å; D720-N725 PolarHBondContact O-ND2 2.84Å; D720-N725 PolarHBondContact OD2-ND2 3.47Å; D720-F744 HydrophobicContact CB-CB 4.1Å; D720-F744 HydrophobicContact CB-CD2 3.61Å; D720-F744 HydrophobicContact CB-CE2 4.46Å; D720-F744 HydrophobicContact CB-CG 4.19Å; D720-G759 VanDerWaalsContact OD1-CA 3.31Å; D720-G759 WeakPolarHBondContact OD1-CA 3.47Å; D720-T760 WeakPolarHBondContact OD1-CB 3.43Å; D720-T760 PolarHBondContact OD1-N 3.44Å; D720-T760 PolarHBondContact OD1-OG1 3.18Å
721	L	91.1	Very high	90.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.169	C	C	.	.			trans	-71.4	125.5	174.5	-173.1	76.3	0	0	0	109.6	I704 L708 V726 L739 S782 V783 I786	I704-L721 HydrophobicContact CG2-CD1 4.5Å; I704-L721 HydrophobicContact CG2-CD2 4.2Å; L708-L721 HydrophobicContact CD1-CD2 3.97Å; L708-L721 HydrophobicContact CD2-CD2 4.43Å; L721-V726 HydrophobicContact CD1-CG2 4.37Å; L721-L739 HydrophobicContact CD1-CD1 4.3Å; L721-L739 HydrophobicContact CD1-CD2 3.78Å; L721-S782 WeakPolarHBondContact O-CB 3.39Å; L721-V783 HydrophobicContact CD2-CG2 3.62Å; L721-I786 HydrophobicContact CD2-CD1 3.98Å; L721-I786 HydrophobicContact CG-CD1 3.76Å
722	K	87.1	Confident	90.7	Very high	21 Å²	21	35 Å²	35	9%	0.091	19%	0.189	C	C	.	.			trans	-161.7	159.8	-178.5	62	-177.1	-172.4	-104.6	0	109.1	D720 E724 N725 V726 T760 Y763	D720-K722 PolarHBondContact O-N 3.29Å; D720-K722 IonicContact OD1-NZ 2.65Å; D720-K722 IonicContact OD2-NZ 2.77Å; D720-K722 PolarHBondContact OD2-NZ 3.48Å; K722-E724 WeakPolarHBondContact CB-OE2 3.46Å; K722-E724 HydrophobicContact CD-CB 4.28Å; K722-E724 WeakPolarHBondContact CD-OE2 3.46Å; K722-E724 HydrophobicContact CG-CB 4.23Å; K722-E724 WeakPolarHBondContact CG-OE2 3.42Å; K722-E724 PolarHBondContact O-N 2.9Å; K722-E724 VanDerWaalsContact O-N 3.15Å; K722-N725 VanDerWaalsContact CE-OD1 3.27Å; K722-N725 WeakPolarHBondContact CE-OD1 3.18Å; K722-N725 HydrophobicContact CG-CB 4.02Å; K722-N725 PolarHBondContact NZ-ND2 3.29Å; K722-N725 VanDerWaalsContact NZ-ND2 3.13Å; K722-N725 PolarHBondContact NZ-OD1 3.44Å; K722-N725 WeakPolarHBondContact O-CA 3.42Å; K722-N725 PolarHBondContact O-N 3.32Å; K722-V726 WeakPolarHBondContact O-CG2 3.49Å; K722-V726 PolarHBondContact O-N 2.81Å; K722-T760 HydrophobicContact CD-CG2 4.38Å; K722-T760 WeakPolarHBondContact CD-OG1 3.44Å; K722-T760 PolarHBondContact NZ-OG1 2.82Å; K722-Y763 HydrophobicContact CB-CD1 4.16Å; K722-Y763 HydrophobicContact CB-CD2 3.86Å; K722-Y763 HydrophobicContact CB-CE1 4.03Å; K722-Y763 HydrophobicContact CB-CE2 3.66Å; K722-Y763 HydrophobicContact CB-CG 4.09Å; K722-Y763 HydrophobicContact CD-CE2 4.39Å
723	P	87.2	Confident	90.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-56	-32.1	-178.5	-23.9	35.4	0	0	0	114	M680 L681 I684 N725 V726 Y763 I786	M680-P723 HydrophobicContact CB-CB 3.99Å; M680-P723 WeakPolarHBondContact CB-O 3.46Å; M680-P723 HydrophobicContact CG-CB 4.27Å; M680-P723 PolarHBondContact N-O 3.02Å; M680-P723 HydrophobicContact SD-CB 4.4Å; L681-P723 HydrophobicContact CB-CB 4.01Å; I684-P723 HydrophobicContact CD1-CB 4.19Å; I684-P723 HydrophobicContact CD1-CG 4.3Å; P723-N725 PolarHBondContact O-N 3.23Å; P723-V726 PolarHBondContact O-N 3.34Å; P723-V726 VanDerWaalsContact O-N 3.15Å; P723-Y763 WeakPolarHBondContact CD-OH 3.36Å; P723-Y763 HydrophobicContact CG-CE1 4.45Å; P723-I786 HydrophobicContact CG-CG1 4.04Å
724	E	85.1	Confident	90.4	Very high	61 Å²	61	32 Å²	32	29%	0.285	18%	0.183	S	C	.	.	G	3₁₀ helix	trans	-65.9	-21.9	174.7	-51.3	98	117.7	0	0	113.7	L681 K722 Y763	L681-E724 HydrophobicContact CB-CG 4.08Å; L681-E724 HydrophobicContact CD2-CG 3.58Å; L681-E724 HydrophobicContact CG-CG 4.46Å; K722-E724 WeakPolarHBondContact CB-OE2 3.46Å; K722-E724 HydrophobicContact CD-CB 4.28Å; K722-E724 WeakPolarHBondContact CD-OE2 3.46Å; K722-E724 HydrophobicContact CG-CB 4.23Å; K722-E724 WeakPolarHBondContact CG-OE2 3.42Å; K722-E724 PolarHBondContact O-N 2.9Å; K722-E724 VanDerWaalsContact O-N 3.15Å; E724-Y763 PolarHBondContact OE2-OH 3.38Å
725	N	90.9	Very high	90.6	Very high	11 Å²	11	27.9 Å²	27.9	6%	0.059	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-101.6	9.5	177.3	-70.2	4.3	0	0	0	112.2	D720 K722 P723 C740	D720-N725 PolarHBondContact O-ND2 2.84Å; D720-N725 PolarHBondContact OD2-ND2 3.47Å; K722-N725 VanDerWaalsContact CE-OD1 3.27Å; K722-N725 WeakPolarHBondContact CE-OD1 3.18Å; K722-N725 HydrophobicContact CG-CB 4.02Å; K722-N725 PolarHBondContact NZ-ND2 3.29Å; K722-N725 VanDerWaalsContact NZ-ND2 3.13Å; K722-N725 PolarHBondContact NZ-OD1 3.44Å; K722-N725 WeakPolarHBondContact O-CA 3.42Å; K722-N725 PolarHBondContact O-N 3.32Å; P723-N725 PolarHBondContact O-N 3.23Å; N725-C740 PolarHBondContact O-N 3.38Å; N725-C740 VanDerWaalsContact O-N 3.1Å
726	V	94.9	Very high	91	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	96.5	174.5	180	0	0	0	0	107.4	M680 I704 L721 K722 P723 V737 L739	M680-V726 HydrophobicContact CB-CB 3.91Å; M680-V726 HydrophobicContact CB-CG1 4.01Å; M680-V726 PolarHBondContact N-O 3.31Å; M680-V726 HydrophobicContact SD-CB 4.27Å; M680-V726 HydrophobicContact SD-CG1 3.99Å; I704-V726 HydrophobicContact CD1-CG1 3.95Å; I704-V726 HydrophobicContact CD1-CG2 4.03Å; I704-V726 HydrophobicContact CG1-CG1 4.06Å; I704-V726 HydrophobicContact CG1-CG2 4.37Å; L721-V726 HydrophobicContact CD1-CG2 4.37Å; K722-V726 WeakPolarHBondContact O-CG2 3.49Å; K722-V726 PolarHBondContact O-N 2.81Å; P723-V726 PolarHBondContact O-N 3.34Å; P723-V726 VanDerWaalsContact O-N 3.15Å; V726-V737 HydrophobicContact CG1-CG1 3.52Å; V726-V737 HydrophobicContact CG1-CG2 4.45Å; V726-L739 HydrophobicContact CG2-CD2 3.95Å
727	L	94.7	Very high	91.4	Very high	37 Å²	37	25.2 Å²	25.2	19%	0.194	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	150.9	-176.2	-55.1	-175.4	0	0	0	111.8	L676 G678 D679 V737 K738 C740	L676-L727 HydrophobicContact CB-CB 3.95Å; L676-L727 HydrophobicContact CB-CD1 4.28Å; L676-L727 HydrophobicContact CD2-CB 4.35Å; L676-L727 HydrophobicContact CD2-CD1 3.68Å; L676-L727 HydrophobicContact CG-CB 3.81Å; L676-L727 HydrophobicContact CG-CD1 4.05Å; G678-L727 WeakPolarHBondContact O-CA 3.32Å; D679-L727 HydrophobicContact CB-CD2 3.84Å; L727-V737 CarbonylContact O-C 3.51Å; L727-V737 WeakPolarHBondContact O-CA 3.2Å; L727-K738 PolarHBondContact N-O 2.93Å; L727-K738 PolarHBondContact O-N 2.87Å; L727-C740 HydrophobicContact CD1-CB 3.76Å; L727-C740 HydrophobicContact CG-CB 4.07Å
728	L	96	Very high	91.7	Very high	7 Å²	7	25.8 Å²	25.8	4%	0.037	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129	-177.1	-51.3	-179.9	0	0	0	110.1	H677 G678 M683 L700 S730 P735 Q736 V737	H677-L728 WeakPolarHBondContact CB-O 3.41Å; H677-L728 PolarHBondContact N-O 3.27Å; G678-L728 PolarHBondContact O-N 3.43Å; M683-L728 HydrophobicContact CB-CD1 3.73Å; M683-L728 HydrophobicContact CG-CD1 4.02Å; M683-L728 HydrophobicContact SD-CD1 3.67Å; L700-L728 HydrophobicContact CD2-CD2 4.05Å; L728-S730 VanDerWaalsContact C-N 3.31Å; L728-S730 PolarHBondContact O-N 3.3Å; L728-P735 HydrophobicContact CB-CB 4.38Å; L728-P735 HydrophobicContact CB-CG 4.2Å; L728-P735 HydrophobicContact CD1-CG 4.37Å; L728-P735 HydrophobicContact CD2-CG 4.04Å; L728-P735 HydrophobicContact CG-CG 4.43Å; L728-Q736 WeakPolarHBondContact CA-O 3.46Å; L728-V737 HydrophobicContact CD2-CG2 4.07Å
729	A	93.9	Very high	92	Very high	43 Å²	43	25.8 Å²	25.8	36%	0.355	15%	0.153	S	C	.	.	S	Bend	trans	-73	-19.3	-176.4	0	0	0	0	0	114.5	L676 Q736	L676-A729 HydrophobicContact CD1-CB 4.35Å; A729-Q736 HydrophobicContact CB-CB 3.85Å; A729-Q736 PolarHBondContact N-O 3.23Å
730	S	93.6	Very high	92.1	Very high	35 Å²	35	26.4 Å²	26.4	25%	0.245	16%	0.157	C	C	.	.	S	Bend	trans	-149.1	170.6	-177.6	67.9	0	0	0	0	111.8	L728 E732 P735	L728-S730 VanDerWaalsContact C-N 3.31Å; L728-S730 PolarHBondContact O-N 3.3Å; S730-E732 PolarHBondContact O-N 3.41Å; S730-E732 PolarHBondContact OG-N 3.12Å; S730-P735 WeakPolarHBondContact OG-CB 3.3Å
731	A	89.5	Confident	92	Very high	81 Å²	81	27.6 Å²	27.6	67%	0.669	16%	0.164	S	C	*	.	S	Bend	trans	-82.5	7.8	172.8	0	0	0	0	0	113.6	H677	H677-A731 WeakPolarHBondContact NE2-CB 3.37Å
732	E	91	Very high	91.6	Very high	88 Å²	88	27.6 Å²	27.6	41%	0.411	16%	0.164	S	C	.	.	S	Bend	trans	-72.8	154.6	-177.2	-64.8	-174.4	160.7	0	0	111.6	S730 F734 P735 R868	S730-E732 PolarHBondContact O-N 3.41Å; S730-E732 PolarHBondContact OG-N 3.12Å; E732-F734 PolarHBondContact O-N 3.41Å; E732-P735 VanDerWaalsContact O-CD 3.32Å; E732-P735 WeakPolarHBondContact O-CD 3.38Å; E732-R868 IonicContact OE1-NH1 3.48Å; E732-R868 IonicContact OE2-CZ 2.77Å; E732-R868 IonicContact OE2-NH1 3.11Å; E732-R868 PolarHBondContact OE2-NH1 2.91Å; E732-R868 IonicContact OE2-NH2 2.68Å
733	P	85	Confident	91	Very high	76 Å²	76	26.6 Å²	26.6	49%	0.494	16%	0.159	S	C	.	.	S	Bend	trans	-62.5	-22	173.5	-22.6	34.2	0	0	0	114.2	I696	I696-P733 HydrophobicContact CD1-CB 4.17Å
734	F	95.1	Very high	90.4	Very high	43 Å²	43	27.8 Å²	27.8	19%	0.189	17%	0.165	C	C	.	.	S	Bend	trans	-127.7	69.6	-180	-62.6	-79.9	0	0	0	110.8	R695 I696 F699 E732 D861 R868	R695-F734 HydrophobicContact CG-CE1 4.18Å; R695-F734 HydrophobicContact CG-CZ 4.11Å; I696-F734 HydrophobicContact CG1-CE1 4.3Å; I696-F734 HydrophobicContact CG1-CZ 4.3Å; F699-F734 HydrophobicContact CB-CD1 4.1Å; F699-F734 HydrophobicContact CB-CE1 4.3Å; F699-F734 HydrophobicContact CD1-CB 4.32Å; F699-F734 AromaticContact CD1-CD1 3.8Å; F699-F734 HydrophobicContact CD1-CD1 3.8Å; F699-F734 AromaticContact CD2-CD1 3.8Å; F699-F734 HydrophobicContact CD2-CD1 3.8Å; F699-F734 VanDerWaalsContact CE1-C 3.45Å; F699-F734 VanDerWaalsContact CE1-CA 3.47Å; F699-F734 HydrophobicContact CE1-CB 3.79Å; F699-F734 HydrophobicContact CE1-CD1 4.12Å; F699-F734 HydrophobicContact CE1-CG 4.48Å; F699-F734 HydrophobicContact CE2-CB 4.16Å; F699-F734 HydrophobicContact CE2-CD1 4.13Å; F699-F734 AromaticContact CG-CD1 3.63Å; F699-F734 HydrophobicContact CG-CD1 3.63Å; F699-F734 HydrophobicContact CG-CE1 4.31Å; F699-F734 HydrophobicContact CZ-CB 3.72Å; F699-F734 HydrophobicContact CZ-CD1 4.29Å; E732-F734 PolarHBondContact O-N 3.41Å; F734-D861 HydrophobicContact CD1-CB 4.28Å; F734-D861 HydrophobicContact CE1-CB 4.14Å; F734-D861 WeakPolarHBondContact CE1-OD2 3.38Å; F734-R868 PolarHBondContact O-NH2 3.44Å
735	P	96.1	Very high	90.2	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-89.1	165.2	-174.1	38.3	-35.5	0	0	0	112.3	F699 L700 Q703 L728 S730 E732 V737	F699-P735 WeakPolarHBondContact CE1-O 3.22Å; L700-P735 HydrophobicContact CD2-CG 4.08Å; Q703-P735 PolarHBondContact NE2-O 3.49Å; L728-P735 HydrophobicContact CB-CB 4.38Å; L728-P735 HydrophobicContact CB-CG 4.2Å; L728-P735 HydrophobicContact CD1-CG 4.37Å; L728-P735 HydrophobicContact CD2-CG 4.04Å; L728-P735 HydrophobicContact CG-CG 4.43Å; S730-P735 WeakPolarHBondContact OG-CB 3.3Å; E732-P735 VanDerWaalsContact O-CD 3.32Å; E732-P735 WeakPolarHBondContact O-CD 3.38Å; P735-V737 PolarHBondContact O-N 2.86Å
736	Q	97.2	Very high	89.6	Confident	14 Å²	14	26.8 Å²	26.8	7%	0.065	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-70.5	130.7	166.7	-178.4	166.4	54.9	0	0	110.1	P654 L728 A729 K738 F865 R869 Y873	P654-Q736 PolarHBondContact O-NE2 2.9Å; L728-Q736 WeakPolarHBondContact CA-O 3.46Å; A729-Q736 HydrophobicContact CB-CB 3.85Å; A729-Q736 PolarHBondContact N-O 3.23Å; Q736-K738 HydrophobicContact CG-CG 4.46Å; Q736-K738 VanDerWaalsContact OE1-CE 3.31Å; Q736-F865 HydrophobicContact CB-CE2 3.83Å; Q736-F865 HydrophobicContact CB-CZ 3.64Å; Q736-F865 HydrophobicContact CG-CZ 4Å; Q736-R869 VanDerWaalsContact CD-NH1 3.3Å; Q736-Y873 PolarHBondContact NE2-OH 3.15Å
737	V	97.7	Very high	88.9	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	136.5	170.9	168.3	0	0	0	0	110.4	G655 L700 Q703 I704 V726 L727 L728 P735	G655-V737 WeakPolarHBondContact CA-O 3.38Å; L700-V737 HydrophobicContact CB-CG2 4.25Å; L700-V737 HydrophobicContact CD2-CG2 3.41Å; L700-V737 VanDerWaalsContact CD2-CG2 3.41Å; L700-V737 HydrophobicContact CG-CG2 4.43Å; Q703-V737 HydrophobicContact CB-CB 3.8Å; Q703-V737 HydrophobicContact CB-CG1 4.42Å; Q703-V737 HydrophobicContact CB-CG2 4.11Å; I704-V737 HydrophobicContact CG1-CG1 3.92Å; V726-V737 HydrophobicContact CG1-CG1 3.52Å; V726-V737 HydrophobicContact CG1-CG2 4.45Å; L727-V737 CarbonylContact O-C 3.51Å; L727-V737 WeakPolarHBondContact O-CA 3.2Å; L728-V737 HydrophobicContact CD2-CG2 4.07Å; P735-V737 PolarHBondContact O-N 2.86Å
738	K	97.1	Very high	87.8	Confident	14 Å²	14	30.9 Å²	30.9	6%	0.061	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	124.7	172.3	-79.7	167.3	168.7	-77.4	0	111.7	P654 G655 I656 E674 L676 L727 Q736	P654-K738 VanDerWaalsContact O-CE 3.28Å; P654-K738 WeakPolarHBondContact O-CE 3.08Å; P654-K738 WeakPolarHBondContact O-CG 3.44Å; P654-K738 PolarHBondContact O-NZ 3.46Å; P654-K738 VanDerWaalsContact O-NZ 3.08Å; G655-K738 WeakPolarHBondContact O-CA 3.21Å; I656-K738 PolarHBondContact O-NZ 2.9Å; E674-K738 WeakPolarHBondContact OE1-CD 3.2Å; E674-K738 VanDerWaalsContact OE1-CE 3.3Å; E674-K738 WeakPolarHBondContact OE1-CE 3.3Å; E674-K738 IonicContact OE1-NZ 2.71Å; E674-K738 PolarHBondContact OE1-NZ 3.1Å; E674-K738 VanDerWaalsContact OE2-CE 3.25Å; E674-K738 WeakPolarHBondContact OE2-CE 3.49Å; E674-K738 IonicContact OE2-NZ 2.68Å; E674-K738 PolarHBondContact OE2-NZ 3.37Å; L676-K738 HydrophobicContact CD1-CD 3.71Å; L727-K738 PolarHBondContact N-O 2.93Å; L727-K738 PolarHBondContact O-N 2.87Å; Q736-K738 HydrophobicContact CG-CG 4.46Å; Q736-K738 VanDerWaalsContact OE1-CE 3.31Å
739	L	95.9	Very high	86	Confident	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	142.8	175.5	-55.9	-175.4	0	0	0	111.6	G655 V657 I704 A707 L708 L711 L721 V726 F742	G655-L739 PolarHBondContact O-N 2.88Å; V657-L739 WeakPolarHBondContact CG1-O 3.49Å; V657-L739 PolarHBondContact N-O 2.87Å; I704-L739 HydrophobicContact CG1-CD2 4.42Å; I704-L739 HydrophobicContact CG2-CD2 4.43Å; A707-L739 HydrophobicContact CB-CD1 3.66Å; A707-L739 HydrophobicContact CB-CG 4.01Å; L708-L739 HydrophobicContact CD2-CD1 4.37Å; L708-L739 HydrophobicContact CG-CD1 4.46Å; L711-L739 HydrophobicContact CD1-CD1 4.13Å; L721-L739 HydrophobicContact CD1-CD1 4.3Å; L721-L739 HydrophobicContact CD1-CD2 3.78Å; V726-L739 HydrophobicContact CG2-CD2 3.95Å; L739-F742 HydrophobicContact CB-CZ 4.45Å
740	C	89.9	Confident	83.9	Confident	16 Å²	16	36.4 Å²	36.4	11%	0.108	22%	0.215	C	C	.	.			trans	-142.5	178.2	-176.1	81.3	0	0	0	0	114.7	V657 H718 N725 L727	V657-C740 HydrophobicContact CB-CB 4.31Å; V657-C740 HydrophobicContact CG1-CB 3.95Å; H718-C740 PolarHBondContact CE1-O 3Å; H718-C740 PolarHBondContact NE2-O 3.2Å; N725-C740 PolarHBondContact O-N 3.38Å; N725-C740 VanDerWaalsContact O-N 3.1Å; L727-C740 HydrophobicContact CD1-CB 3.76Å; L727-C740 HydrophobicContact CG-CB 4.07Å
741	D	82.2	Confident	81.6	Confident	32 Å²	32	44.7 Å²	44.7	17%	0.171	25%	0.247	C	C	.	.			trans	55.4	72.5	-177.6	-159.5	32	0	0	0	114.7	K626 G743	K626-D741 IonicContact NZ-OD1 2.87Å; K626-D741 PolarHBondContact NZ-OD1 3.22Å; D741-G743 PolarHBondContact O-N 3.01Å
742	F	83.4	Confident	79.5	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-83.1	9.9	-176.9	-74.3	-99.8	0	0	0	113.6	E644 I647 L648 L651 I656 V657 L711 L739 F744 A745	E644-F742 HydrophobicContact CG-CB 3.98Å; E644-F742 PolarHBondContact OE1-N 3.28Å; E644-F742 VanDerWaalsContact OE1-N 3.13Å; I647-F742 HydrophobicContact CG2-CB 4.45Å; I647-F742 HydrophobicContact CG2-CD1 3.83Å; I647-F742 HydrophobicContact CG2-CG 4.41Å; L648-F742 HydrophobicContact CD2-CD2 3.57Å; L648-F742 HydrophobicContact CD2-CE2 3.87Å; L648-F742 HydrophobicContact CD2-CG 4.15Å; L648-F742 HydrophobicContact CG-CB 4.36Å; L648-F742 HydrophobicContact CG-CD2 4.19Å; L648-F742 HydrophobicContact CG-CG 4.38Å; L651-F742 HydrophobicContact CD1-CD1 4.24Å; L651-F742 HydrophobicContact CD1-CE1 3.81Å; L651-F742 HydrophobicContact CD1-CZ 4.22Å; I656-F742 HydrophobicContact CG2-CE2 3.99Å; I656-F742 HydrophobicContact CG2-CZ 3.86Å; V657-F742 HydrophobicContact CG1-CE2 4.45Å; L711-F742 HydrophobicContact CD1-CE1 4.05Å; L711-F742 HydrophobicContact CD1-CZ 4.38Å; L711-F742 HydrophobicContact CD2-CE1 3.77Å; L711-F742 HydrophobicContact CD2-CZ 4.34Å; L739-F742 HydrophobicContact CB-CZ 4.45Å; F742-F744 PolarHBondContact O-N 3.28Å; F742-F744 VanDerWaalsContact O-N 3.14Å; F742-A745 HydrophobicContact CB-CB 4.02Å; F742-A745 HydrophobicContact CD1-CB 3.68Å; F742-A745 HydrophobicContact CG-CB 4.3Å; F742-A745 VanDerWaalsContact O-CB 3.28Å; F742-A745 WeakPolarHBondContact O-CB 3.17Å; F742-A745 PolarHBondContact O-N 3.15Å
743	G	73.6	Confident	77.5	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-57	-28.8	178.3	0	0	0	0	0	114.7	E644 D741 R746	E644-G743 PolarHBondContact OE1-N 3.46Å; D741-G743 PolarHBondContact O-N 3.01Å; G743-R746 PolarHBondContact O-NH1 3.35Å; G743-R746 PolarHBondContact O-NH2 3.42Å
744	F	74.5	Confident	75.4	Confident	25 Å²	25	48 Å²	48	11%	0.11	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-93.2	-9.1	173.8	-63	-61.7	0	0	0	114.5	F608 H718 C719 D720 F742 R746 V758	F608-F744 HydrophobicContact CE2-CZ 4.49Å; H718-F744 CarbonylContact O-C 3.57Å; C719-F744 HydrophobicContact CB-CB 4.18Å; C719-F744 WeakPolarHBondContact CB-O 3.42Å; D720-F744 HydrophobicContact CB-CB 4.1Å; D720-F744 HydrophobicContact CB-CD2 3.61Å; D720-F744 HydrophobicContact CB-CE2 4.46Å; D720-F744 HydrophobicContact CB-CG 4.19Å; F742-F744 PolarHBondContact O-N 3.28Å; F742-F744 VanDerWaalsContact O-N 3.14Å; F744-R746 VanDerWaalsContact C-NH1 3.33Å; F744-R746 PolarHBondContact O-NH1 2.78Å; F744-V758 HydrophobicContact CB-CG2 4.16Å; F744-V758 HydrophobicContact CD1-CB 3.57Å; F744-V758 HydrophobicContact CD1-CG1 3.97Å; F744-V758 HydrophobicContact CD1-CG2 3.93Å; F744-V758 HydrophobicContact CE1-CB 3.96Å; F744-V758 HydrophobicContact CE1-CG1 4.24Å; F744-V758 HydrophobicContact CG-CB 4.29Å; F744-V758 HydrophobicContact CG-CG2 4.29Å
745	A	81.7	Confident	73.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.265	C	S	.	.			trans	-70.4	145	-175.2	0	0	0	0	0	112.9	N643 I647 I716 V717 H718 F742	N643-A745 PolarHBondContact ND2-O 3.29Å; I647-A745 HydrophobicContact CD1-CB 3.99Å; I647-A745 WeakPolarHBondContact CD1-O 3.38Å; I716-A745 HydrophobicContact CG2-CB 4.36Å; V717-A745 CarbonylContact O-C 3.56Å; V717-A745 WeakPolarHBondContact O-CA 3.47Å; V717-A745 WeakPolarHBondContact O-CB 3.28Å; H718-A745 PolarHBondContact O-N 3.21Å; F742-A745 HydrophobicContact CB-CB 4.02Å; F742-A745 HydrophobicContact CD1-CB 3.68Å; F742-A745 HydrophobicContact CG-CB 4.3Å; F742-A745 VanDerWaalsContact O-CB 3.28Å; F742-A745 WeakPolarHBondContact O-CB 3.17Å; F742-A745 PolarHBondContact O-N 3.15Å
746	R	78.7	Confident	70.8	Confident	51 Å²	51	57 Å²	57	19%	0.192	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	145.9	-175.2	-54.9	-64.8	173.3	-106.9	-1.8	111.3	N643 I716 V717 G743 F744	N643-R746 PolarHBondContact ND2-NH1 3.22Å; I716-R746 WeakPolarHBondContact CA-O 3.48Å; V717-R746 PolarHBondContact N-O 3.11Å; V717-R746 PolarHBondContact O-N 3.35Å; G743-R746 PolarHBondContact O-NH1 3.35Å; G743-R746 PolarHBondContact O-NH2 3.42Å; F744-R746 VanDerWaalsContact C-NH1 3.33Å; F744-R746 PolarHBondContact O-NH1 2.78Å
747	I	80	Confident	68.7	Low	73 Å²	73	60.5 Å²	60.5	37%	0.374	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	137.5	173	-57.6	167.8	0	0	0	109.4	I647 N715 I716 F753	I647-I747 HydrophobicContact CG1-CG1 4.42Å; N715-I747 HydrophobicContact CB-CG2 4.37Å; N715-I747 CarbonylContact O-C 3.58Å; I716-I747 HydrophobicContact CG1-CG1 4.01Å; I747-F753 WeakPolarHBondContact O-CE1 3.21Å; I747-F753 WeakPolarHBondContact O-CZ 3.27Å
748	I	72	Confident	66.6	Low	49 Å²	49	61.5 Å²	61.5	25%	0.251	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	135.1	175.9	-61	159.9	0	0	0	110.2	N715 V717 F753 R776	N715-I748 HydrophobicContact CB-CB 4.05Å; N715-I748 WeakPolarHBondContact O-CB 3.44Å; N715-I748 VanDerWaalsContact O-CG1 3.26Å; N715-I748 WeakPolarHBondContact O-CG1 3.45Å; N715-I748 PolarHBondContact O-N 2.94Å; V717-I748 HydrophobicContact CG2-CD1 3.47Å; V717-I748 VanDerWaalsContact CG2-CD1 3.47Å; V717-I748 HydrophobicContact CG2-CG1 3.72Å; I748-F753 VanDerWaalsContact CA-CZ 3.41Å; I748-F753 HydrophobicContact CB-CZ 4.47Å; I748-R776 HydrophobicContact CD1-CG 3.39Å
749	G	58.2	Low	64.6	Low	70 Å²	70	61.8 Å²	61.8	72%	0.722	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	127.9	-30.4	-177.1	0	0	0	0	0	114	F753	G749-F753 VanDerWaalsContact N-CE2 3.27Å
750	E	50.2	Low	62.9	Low	96 Å²	96	63.8 Å²	63.8	45%	0.449	33%	0.332	S	S	.	.			trans	-62.6	150.1	-179.6	-64.8	-166.3	-179.1	0	0	115.4	S752 F753	E750-S752 PolarHBondContact O-N 3.12Å; E750-S752 VanDerWaalsContact OE2-CB 3.27Å; E750-S752 WeakPolarHBondContact OE2-CB 3.13Å; E750-S752 PolarHBondContact OE2-OG 2.86Å; E750-F753 HydrophobicContact CB-CE2 4.31Å; E750-F753 HydrophobicContact CB-CZ 3.95Å; E750-F753 VanDerWaalsContact N-CE2 3.33Å; E750-F753 VanDerWaalsContact N-CZ 3.31Å; E750-F753 WeakPolarHBondContact O-CD2 3.15Å; E750-F753 WeakPolarHBondContact O-CE2 3.44Å
751	K	44.6	Very low	61.7	Low	210 Å²	210	66.7 Å²	66.7	91%	0.913	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-3.1	171.6	-63.5	175	-177.2	173.4	0	113.1
752	S	45.5	Very low	60.9	Low	85 Å²	85	65.5 Å²	65.5	59%	0.594	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-10	-169.4	-46.7	0	0	0	0	116.8	E750 R754	E750-S752 PolarHBondContact O-N 3.12Å; E750-S752 VanDerWaalsContact OE2-CB 3.27Å; E750-S752 WeakPolarHBondContact OE2-CB 3.13Å; E750-S752 PolarHBondContact OE2-OG 2.86Å; S752-R754 PolarHBondContact O-N 3.21Å
753	F	48.2	Very low	60.5	Low	50 Å²	50	65.9 Å²	65.9	22%	0.219	35%	0.347	C	S	.	.			trans	-58.6	-0.1	-166.3	-66.9	-54.3	0	0	0	119.2	I747 I748 G749 E750	I747-F753 WeakPolarHBondContact O-CE1 3.21Å; I747-F753 WeakPolarHBondContact O-CZ 3.27Å; I748-F753 VanDerWaalsContact CA-CZ 3.41Å; I748-F753 HydrophobicContact CB-CZ 4.47Å; G749-F753 VanDerWaalsContact N-CE2 3.27Å; E750-F753 HydrophobicContact CB-CE2 4.31Å; E750-F753 HydrophobicContact CB-CZ 3.95Å; E750-F753 VanDerWaalsContact N-CE2 3.33Å; E750-F753 VanDerWaalsContact N-CZ 3.31Å; E750-F753 WeakPolarHBondContact O-CD2 3.15Å; E750-F753 WeakPolarHBondContact O-CE2 3.44Å
754	R	41.7	Very low	60.7	Low	179 Å²	179	66.5 Å²	66.5	68%	0.675	35%	0.35	S	S	*	.	S	Bend	trans	-101.8	111	-160.2	-74.2	-164.8	-75.1	-172.1	-2.8	114.3	S752	S752-R754 PolarHBondContact O-N 3.21Å
755	R	47.8	Very low	61.1	Low	173 Å²	173	65.3 Å²	65.3	65%	0.653	35%	0.345	S	S	*	.	S	Bend	trans	87.6	14.2	148.4	-45.7	150.9	-168.9	164.1	2	119.3
756	S	46.3	Very low	61.3	Low	61 Å²	61	65.3 Å²	65.3	43%	0.427	35%	0.345	S	S	.	.			trans	-69.8	154.7	157	53.5	0	0	0	0	110	Y774	S756-Y774 PolarHBondContact O-OH 3.08Å; S756-Y774 VanDerWaalsContact OG-CE2 3.26Å; S756-Y774 WeakPolarHBondContact OG-CE2 3.4Å; S756-Y774 PolarHBondContact OG-OH 2.88Å
757	V	53.2	Low	61.5	Low	86 Å²	86	63.2 Å²	63.2	52%	0.521	34%	0.338	S	S	.	.			trans	-110.3	122.3	157.7	174.8	0	0	0	0	106	L764 V768	V757-L764 HydrophobicContact CG1-CD1 4.24Å; V757-V768 HydrophobicContact CG1-CG1 4.17Å
758	V	53.4	Low	61.4	Low	21 Å²	21	60 Å²	60	13%	0.127	32%	0.321	C	S	.	.			trans	-136.2	167	174.7	-50.7	0	0	0	0	109.1	C719 F744 L764 Y774	C719-V758 HydrophobicContact CB-CG2 4.12Å; F744-V758 HydrophobicContact CB-CG2 4.16Å; F744-V758 HydrophobicContact CD1-CB 3.57Å; F744-V758 HydrophobicContact CD1-CG1 3.97Å; F744-V758 HydrophobicContact CD1-CG2 3.93Å; F744-V758 HydrophobicContact CE1-CB 3.96Å; F744-V758 HydrophobicContact CE1-CG1 4.24Å; F744-V758 HydrophobicContact CG-CB 4.29Å; F744-V758 HydrophobicContact CG-CG2 4.29Å; V758-L764 WeakPolarHBondContact O-CD2 3.46Å; V758-Y774 HydrophobicContact CG2-CE1 3.76Å; V758-Y774 PolarHBondContact N-OH 2.88Å
759	G	55.3	Low	61.3	Low	21 Å²	21	59.8 Å²	59.8	22%	0.216	32%	0.32	C	S	.	.	S	Bend	trans	95.2	162	-175.7	0	0	0	0	0	113.2	D720	D720-G759 VanDerWaalsContact OD1-CA 3.31Å; D720-G759 WeakPolarHBondContact OD1-CA 3.47Å
760	T	60.3	Low	61.9	Low	41 Å²	41	60.8 Å²	60.8	25%	0.252	30%	0.302	S	S	.	.			trans	-78	124.8	-174	-57.5	0	0	0	0	110.6	D720 K722 A762 Y763	D720-T760 WeakPolarHBondContact OD1-CB 3.43Å; D720-T760 PolarHBondContact OD1-N 3.44Å; D720-T760 PolarHBondContact OD1-OG1 3.18Å; K722-T760 HydrophobicContact CD-CG2 4.38Å; K722-T760 WeakPolarHBondContact CD-OG1 3.44Å; K722-T760 PolarHBondContact NZ-OG1 2.82Å; T760-A762 PolarHBondContact O-N 3.41Å; T760-Y763 HydrophobicContact CG2-CD2 3.85Å; T760-Y763 HydrophobicContact CG2-CE2 4.07Å; T760-Y763 PolarHBondContact O-N 3.42Å
761	P	64.3	Low	62.3	Low	77 Å²	77	58.9 Å²	58.9	50%	0.5	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-48.8	-41.9	-163.9	-34.4	37.1	0	0	0	117.7	Y763 L764	P761-Y763 PolarHBondContact O-N 3Å; P761-L764 PolarHBondContact O-N 3.12Å
762	A	66.4	Low	63	Low	7 Å²	7	56.7 Å²	56.7	6%	0.058	29%	0.29	C	S	.	.	G	3₁₀ helix	trans	-70.3	-15	-178.3	0	0	0	0	0	114.3	T760 F795	T760-A762 PolarHBondContact O-N 3.41Å; A762-F795 HydrophobicContact CB-CD1 3.69Å; A762-F795 HydrophobicContact CB-CE1 3.79Å
763	Y	74.3	Confident	63.6	Low	8 Å²	8	53.3 Å²	53.3	3%	0.031	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-106.4	4.1	-179.5	-55.8	-87	0	0	0	113.1	K722 P723 E724 T760 P761 S782 V785 F795	K722-Y763 HydrophobicContact CB-CD1 4.16Å; K722-Y763 HydrophobicContact CB-CD2 3.86Å; K722-Y763 HydrophobicContact CB-CE1 4.03Å; K722-Y763 HydrophobicContact CB-CE2 3.66Å; K722-Y763 HydrophobicContact CB-CG 4.09Å; K722-Y763 HydrophobicContact CD-CE2 4.39Å; P723-Y763 WeakPolarHBondContact CD-OH 3.36Å; P723-Y763 HydrophobicContact CG-CE1 4.45Å; E724-Y763 PolarHBondContact OE2-OH 3.38Å; T760-Y763 HydrophobicContact CG2-CD2 3.85Å; T760-Y763 HydrophobicContact CG2-CE2 4.07Å; T760-Y763 PolarHBondContact O-N 3.42Å; P761-Y763 PolarHBondContact O-N 3Å; Y763-S782 PolarHBondContact O-OG 3.23Å; Y763-S782 VanDerWaalsContact O-OG 3.11Å; Y763-V785 HydrophobicContact CD1-CB 3.89Å; Y763-V785 HydrophobicContact CD1-CG1 3.42Å; Y763-V785 VanDerWaalsContact CD1-CG1 3.42Å; Y763-V785 HydrophobicContact CE1-CB 4.46Å; Y763-V785 HydrophobicContact CE1-CG1 3.7Å; Y763-V785 HydrophobicContact CG-CG1 4.34Å; Y763-F795 AromaticContact CE1-CE1 3.99Å; Y763-F795 HydrophobicContact CE1-CE1 3.99Å; Y763-F795 HydrophobicContact CE2-CE1 4.04Å; Y763-F795 HydrophobicContact CE2-CZ 4.46Å; Y763-F795 AromaticContact CZ-CE1 3.6Å; Y763-F795 AromaticContact CZ-CZ 3.92Å; Y763-F795 WeakPolarHBondContact OH-CZ 3.41Å
764	L	78.7	Confident	64.4	Low	14 Å²	14	52.1 Å²	52.1	7%	0.073	26%	0.262	C	S	.	.			trans	-74.6	131.1	-173.7	-66.7	-177	0	0	0	113.2	V757 V758 P761 L769 W781 I807	V757-L764 HydrophobicContact CG1-CD1 4.24Å; V758-L764 WeakPolarHBondContact O-CD2 3.46Å; P761-L764 PolarHBondContact O-N 3.12Å; L764-L769 HydrophobicContact CD1-CD2 3.99Å; L764-W781 PolarHBondContact O-NE1 2.8Å; L764-I807 WeakPolarHBondContact O-CG2 3.39Å
765	A	83.3	Confident	66.1	Low	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.242	C	C	.	.			trans	-74.1	148.7	174.2	0	0	0	0	0	112.6	E767 V768 L778 W781	A765-E767 VanDerWaalsContact C-N 3.26Å; A765-E767 HydrophobicContact CB-CG 4.38Å; A765-E767 PolarHBondContact O-N 2.92Å; A765-E767 VanDerWaalsContact O-N 3.14Å; A765-V768 HydrophobicContact CB-CG2 4.31Å; A765-V768 WeakPolarHBondContact O-CB 3.23Å; A765-V768 PolarHBondContact O-N 3.42Å; A765-L778 HydrophobicContact CB-CG 4.17Å; A765-W781 HydrophobicContact CB-CB 3.81Å; A765-W781 HydrophobicContact CB-CD2 4.3Å; A765-W781 HydrophobicContact CB-CG 3.76Å
766	P	85.4	Confident	68	Low	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-59	-30.8	-174.4	-26.5	35.7	0	0	0	114.9	V768 R770 W781 I807 V836	P766-V768 VanDerWaalsContact C-N 3.31Å; P766-V768 PolarHBondContact O-N 3.27Å; P766-R770 WeakPolarHBondContact O-CB 3.31Å; P766-R770 WeakPolarHBondContact O-CD 3.34Å; P766-R770 VanDerWaalsContact O-CG 3.28Å; P766-R770 WeakPolarHBondContact O-CG 3.42Å; P766-R770 PolarHBondContact O-N 2.91Å; P766-R770 VanDerWaalsContact O-N 3.11Å; P766-W781 HydrophobicContact CG-CE3 4.12Å; P766-W781 HydrophobicContact CG-CH2 3.49Å; P766-W781 VanDerWaalsContact CG-CH2 3.49Å; P766-W781 HydrophobicContact CG-CZ2 3.97Å; P766-W781 HydrophobicContact CG-CZ3 3.57Å; P766-I807 HydrophobicContact CB-CG2 4.28Å; P766-I807 HydrophobicContact CG-CG2 3.83Å; P766-I807 VanDerWaalsContact CG-O 3.31Å; P766-I807 WeakPolarHBondContact CG-O 3.41Å; P766-V836 HydrophobicContact CB-CG1 4.3Å; P766-V836 HydrophobicContact CG-CG1 4.47Å
767	E	82.6	Confident	70.1	Confident	7 Å²	7	40.2 Å²	40.2	3%	0.033	21%	0.214	C	C	.	.	H	α-helix	trans	-68.4	-25.8	176.8	59.3	-91.2	-153.4	0	0	114	A765 R770 S771 K772 M838 R841	A765-E767 VanDerWaalsContact C-N 3.26Å; A765-E767 HydrophobicContact CB-CG 4.38Å; A765-E767 PolarHBondContact O-N 2.92Å; A765-E767 VanDerWaalsContact O-N 3.14Å; E767-R770 CarbonylContact O-C 3.58Å; E767-R770 PolarHBondContact O-N 2.8Å; E767-S771 PolarHBondContact O-N 2.79Å; E767-S771 VanDerWaalsContact O-N 3.11Å; E767-K772 HydrophobicContact CB-CB 4.46Å; E767-K772 PolarHBondContact O-N 3.15Å; E767-M838 HydrophobicContact CB-SD 3.74Å; E767-M838 HydrophobicContact CG-CG 4.34Å; E767-M838 HydrophobicContact CG-SD 3.66Å; E767-R841 IonicContact OE1-CZ 2.78Å; E767-R841 IonicContact OE1-NH1 2.68Å; E767-R841 PolarHBondContact OE1-NH1 3.37Å; E767-R841 IonicContact OE1-NH2 2.75Å; E767-R841 PolarHBondContact OE1-NH2 3.41Å; E767-R841 IonicContact OE2-CZ 3.29Å; E767-R841 IonicContact OE2-NH1 3.87Å; E767-R841 IonicContact OE2-NH2 2.83Å; E767-R841 PolarHBondContact OE2-NH2 2.96Å
768	V	76.7	Confident	71.9	Confident	5 Å²	5	36.3 Å²	36.3	3%	0.03	19%	0.19	C	C	.	.	H	α-helix	trans	-70.2	-49.2	175.5	-173.8	0	0	0	0	109.3	V757 A765 P766 R770 S771 L778	V757-V768 HydrophobicContact CG1-CG1 4.17Å; A765-V768 HydrophobicContact CB-CG2 4.31Å; A765-V768 WeakPolarHBondContact O-CB 3.23Å; A765-V768 PolarHBondContact O-N 3.42Å; P766-V768 VanDerWaalsContact C-N 3.31Å; P766-V768 PolarHBondContact O-N 3.27Å; V768-R770 PolarHBondContact O-N 3.1Å; V768-S771 PolarHBondContact O-N 3.28Å; V768-L778 HydrophobicContact CG2-CD1 3.56Å; V768-L778 HydrophobicContact CG2-CG 3.99Å
769	L	71.8	Confident	73.8	Confident	44 Å²	44	35.3 Å²	35.3	23%	0.23	18%	0.184	C	C	.	.	H	α-helix	trans	-57.6	-39.2	174.4	-57.7	-177.1	0	0	0	111.5	L764 S771 N804 I807 Q808	L764-L769 HydrophobicContact CD1-CD2 3.99Å; L769-S771 PolarHBondContact O-N 2.82Å; L769-N804 HydrophobicContact CD1-CB 4.32Å; L769-I807 HydrophobicContact CD1-CB 3.99Å; L769-I807 HydrophobicContact CD1-CD1 4.37Å; L769-I807 HydrophobicContact CD1-CG2 3.61Å; L769-Q808 HydrophobicContact CD1-CG 4.42Å
770	R	69.4	Low	75.7	Confident	91 Å²	91	34.4 Å²	34.4	34%	0.343	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	4.5	177.6	-66.9	167.7	175.1	152.3	-4	114.1	P766 E767 V768 K772 Q808	P766-R770 WeakPolarHBondContact O-CB 3.31Å; P766-R770 WeakPolarHBondContact O-CD 3.34Å; P766-R770 VanDerWaalsContact O-CG 3.28Å; P766-R770 WeakPolarHBondContact O-CG 3.42Å; P766-R770 PolarHBondContact O-N 2.91Å; P766-R770 VanDerWaalsContact O-N 3.11Å; E767-R770 CarbonylContact O-C 3.58Å; E767-R770 PolarHBondContact O-N 2.8Å; V768-R770 PolarHBondContact O-N 3.1Å; R770-K772 HydrophobicContact CB-CG 4.19Å; R770-K772 PolarHBondContact O-N 3.12Å; R770-K772 VanDerWaalsContact O-N 3.11Å; R770-Q808 VanDerWaalsContact NH2-CB 3.31Å; R770-Q808 PolarHBondContact NH2-O 3.16Å
771	S	60.1	Low	77.4	Confident	56 Å²	56	32.4 Å²	32.4	39%	0.392	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	27.2	178.6	-61.8	0	0	0	0	115.1	E767 V768 L769 G773	E767-S771 PolarHBondContact O-N 2.79Å; E767-S771 VanDerWaalsContact O-N 3.11Å; V768-S771 PolarHBondContact O-N 3.28Å; L769-S771 PolarHBondContact O-N 2.82Å; S771-G773 VanDerWaalsContact C-N 3.28Å; S771-G773 PolarHBondContact O-N 3.48Å
772	K	58.6	Low	78.9	Confident	165 Å²	165	28.9 Å²	28.9	72%	0.717	14%	0.139	S	C	*	.			trans	-80.6	-4.2	-174.5	-70.6	-164.6	174	-172.7	0	114.6	E767 R770	E767-K772 HydrophobicContact CB-CB 4.46Å; E767-K772 PolarHBondContact O-N 3.15Å; R770-K772 HydrophobicContact CB-CG 4.19Å; R770-K772 PolarHBondContact O-N 3.12Å; R770-K772 VanDerWaalsContact O-N 3.11Å
773	G	57.4	Low	80.4	Confident	13 Å²	13	28.6 Å²	28.6	13%	0.134	14%	0.137	C	C	.	.			trans	106.8	157	176.9	0	0	0	0	0	113.2	S771	S771-G773 VanDerWaalsContact C-N 3.28Å; S771-G773 PolarHBondContact O-N 3.48Å
774	Y	65.3	Low	81.5	Confident	25 Å²	25	28.2 Å²	28.2	10%	0.098	14%	0.135	C	C	.	.			trans	-80	142.9	-179.6	-63.8	-91.3	0	0	0	111.2	C719 S756 V758 L778	C719-Y774 HydrophobicContact CB-CD1 4.42Å; S756-Y774 PolarHBondContact O-OH 3.08Å; S756-Y774 VanDerWaalsContact OG-CE2 3.26Å; S756-Y774 WeakPolarHBondContact OG-CE2 3.4Å; S756-Y774 PolarHBondContact OG-OH 2.88Å; V758-Y774 HydrophobicContact CG2-CE1 3.76Å; V758-Y774 PolarHBondContact N-OH 2.88Å; Y774-L778 HydrophobicContact CD1-CD1 3.62Å; Y774-L778 HydrophobicContact CE1-CD1 4.06Å
775	N	77	Confident	82.3	Confident	46 Å²	46	27.5 Å²	27.5	25%	0.246	13%	0.132	C	C	.	.			trans	-160.6	164.4	177	74.5	92.5	0	0	0	110.5	S777 L778 M838	N775-S777 PolarHBondContact O-N 3.49Å; N775-S777 VanDerWaalsContact O-N 3.08Å; N775-S777 WeakPolarHBondContact OD1-CB 3.34Å; N775-S777 PolarHBondContact OD1-N 3.18Å; N775-S777 PolarHBondContact OD1-OG 3.35Å; N775-L778 VanDerWaalsContact O-CB 3.27Å; N775-L778 WeakPolarHBondContact O-CB 3.4Å; N775-L778 PolarHBondContact O-N 3.03Å; N775-M838 PolarHBondContact ND2-SD 2.87Å; N775-M838 VanDerWaalsContact ND2-SD 3.36Å
776	R	88.9	Confident	82.9	Confident	102 Å²	102	27.5 Å²	27.5	39%	0.385	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-35.3	-178.3	-60.4	-178.6	-173.5	-176.8	5.3	114.9	H712 N715 V717 I748 L778 D779	H712-R776 HydrophobicContact CB-CG 4.32Å; H712-R776 PolarHBondContact CE1-O 2.86Å; H712-R776 PolarHBondContact O-NE 3.29Å; H712-R776 PolarHBondContact O-NH1 2.79Å; H712-R776 PolarHBondContact O-NH2 2.97Å; N715-R776 PolarHBondContact OD1-NH2 2.94Å; V717-R776 HydrophobicContact CG2-CG 4.43Å; I748-R776 HydrophobicContact CD1-CG 3.39Å; R776-L778 PolarHBondContact O-N 3.44Å; R776-D779 PolarHBondContact O-N 3.28Å
777	S	90.1	Very high	83.5	Confident	15 Å²	15	27.5 Å²	27.5	11%	0.105	13%	0.132	C	C	.	.	H	α-helix	trans	-70.9	-13.4	-177	73.6	0	0	0	0	113.9	N775 M780 W781 R841	N775-S777 PolarHBondContact O-N 3.49Å; N775-S777 VanDerWaalsContact O-N 3.08Å; N775-S777 WeakPolarHBondContact OD1-CB 3.34Å; N775-S777 PolarHBondContact OD1-N 3.18Å; N775-S777 PolarHBondContact OD1-OG 3.35Å; S777-M780 WeakPolarHBondContact O-CB 3.4Å; S777-M780 PolarHBondContact O-N 2.93Å; S777-W781 PolarHBondContact O-N 3.03Å; S777-W781 VanDerWaalsContact O-N 3.15Å; S777-R841 VanDerWaalsContact C-NH1 3.3Å; S777-R841 WeakPolarHBondContact O-CD 3.32Å; S777-R841 PolarHBondContact O-NH1 3.37Å; S777-R841 PolarHBondContact OG-NH1 3.27Å
778	L	89.8	Confident	84.1	Confident	4 Å²	4	27.4 Å²	27.4	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-57.9	-54.3	171.3	-174	172.8	0	0	0	110.2	A765 V768 Y774 N775 R776 M780 W781 S782	A765-L778 HydrophobicContact CB-CG 4.17Å; V768-L778 HydrophobicContact CG2-CD1 3.56Å; V768-L778 HydrophobicContact CG2-CG 3.99Å; Y774-L778 HydrophobicContact CD1-CD1 3.62Å; Y774-L778 HydrophobicContact CE1-CD1 4.06Å; N775-L778 VanDerWaalsContact O-CB 3.27Å; N775-L778 WeakPolarHBondContact O-CB 3.4Å; N775-L778 PolarHBondContact O-N 3.03Å; R776-L778 PolarHBondContact O-N 3.44Å; L778-M780 PolarHBondContact O-N 3.06Å; L778-W781 WeakPolarHBondContact O-CB 3.25Å; L778-W781 PolarHBondContact O-N 2.78Å; L778-S782 PolarHBondContact O-N 3.18Å; L778-S782 PolarHBondContact O-OG 2.8Å
779	D	93.3	Very high	84.7	Confident	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.1	-34.5	-179.2	-57.8	-26.1	0	0	0	110.9	L708 H712 V717 H718 C719 R776 W781 S782 V783	L708-D779 HydrophobicContact CD1-CB 4.4Å; L708-D779 HydrophobicContact CD2-CB 3.85Å; H712-D779 IonicContact CD2-OD2 3.75Å; H712-D779 IonicContact CE1-OD2 3.66Å; H712-D779 IonicContact NE2-OD2 2.94Å; H712-D779 PolarHBondContact NE2-OD2 3.39Å; V717-D779 WeakPolarHBondContact CA-OD2 3.3Å; V717-D779 WeakPolarHBondContact CG1-OD1 3.25Å; V717-D779 VanDerWaalsContact CG1-OD2 3.32Å; V717-D779 WeakPolarHBondContact CG1-OD2 3.49Å; H718-D779 PolarHBondContact N-OD1 3.43Å; H718-D779 PolarHBondContact N-OD2 3.3Å; C719-D779 PolarHBondContact N-OD1 3.06Å; R776-D779 PolarHBondContact O-N 3.28Å; D779-W781 PolarHBondContact O-N 2.83Å; D779-S782 CarbonylContact O-C 3.59Å; D779-S782 WeakPolarHBondContact O-CB 3.39Å; D779-S782 PolarHBondContact O-N 2.88Å; D779-S782 VanDerWaalsContact O-N 3.16Å; D779-V783 WeakPolarHBondContact O-CG2 3.32Å; D779-V783 PolarHBondContact O-N 3.43Å
780	M	97.2	Very high	85.8	Confident	2 Å²	2	25.1 Å²	25.1	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-66.6	-33.5	176.6	-57.5	-55.6	-54.7	0	0	113.5	L705 L708 S777 L778 V783 G784 L833 Y842 V844 C847	L705-M780 HydrophobicContact CD2-CE 3.69Å; L705-M780 HydrophobicContact CD2-SD 4.35Å; L708-M780 HydrophobicContact CD1-SD 4.46Å; S777-M780 WeakPolarHBondContact O-CB 3.4Å; S777-M780 PolarHBondContact O-N 2.93Å; L778-M780 PolarHBondContact O-N 3.06Å; M780-V783 PolarHBondContact O-N 2.8Å; M780-G784 PolarHBondContact O-N 2.87Å; M780-G784 VanDerWaalsContact O-N 3.12Å; M780-L833 HydrophobicContact CB-CD2 4.28Å; M780-L833 HydrophobicContact CE-CD2 3.64Å; M780-Y842 WeakPolarHBondContact CG-O 3.43Å; M780-V844 HydrophobicContact CE-CG2 4.44Å; M780-V844 HydrophobicContact SD-CB 4.34Å; M780-V844 HydrophobicContact SD-CG2 3.49Å; M780-V844 WeakPolarHBondContact SD-CG2 3.11Å; M780-C847 HydrophobicContact CE-CB 3.79Å
781	W	95.6	Very high	87	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.7	-43.5	170.4	172.9	-81.1	0	0	0	110.3	L764 A765 P766 S777 L778 D779 V783 G784 V785 F797 I807 A810 L834	L764-W781 PolarHBondContact O-NE1 2.8Å; A765-W781 HydrophobicContact CB-CB 3.81Å; A765-W781 HydrophobicContact CB-CD2 4.3Å; A765-W781 HydrophobicContact CB-CG 3.76Å; P766-W781 HydrophobicContact CG-CE3 4.12Å; P766-W781 HydrophobicContact CG-CH2 3.49Å; P766-W781 VanDerWaalsContact CG-CH2 3.49Å; P766-W781 HydrophobicContact CG-CZ2 3.97Å; P766-W781 HydrophobicContact CG-CZ3 3.57Å; S777-W781 PolarHBondContact O-N 3.03Å; S777-W781 VanDerWaalsContact O-N 3.15Å; L778-W781 WeakPolarHBondContact O-CB 3.25Å; L778-W781 PolarHBondContact O-N 2.78Å; D779-W781 PolarHBondContact O-N 2.83Å; W781-V783 VanDerWaalsContact C-N 3.32Å; W781-V783 PolarHBondContact O-N 3.25Å; W781-G784 WeakPolarHBondContact O-CA 3.5Å; W781-G784 PolarHBondContact O-N 2.77Å; W781-V785 PolarHBondContact O-N 2.82Å; W781-F797 HydrophobicContact CH2-CE2 4.49Å; W781-F797 AromaticContact CH2-CZ 3.88Å; W781-F797 HydrophobicContact CH2-CZ 3.88Å; W781-F797 AromaticContact CZ2-CE2 3.6Å; W781-F797 HydrophobicContact CZ2-CE2 3.6Å; W781-F797 AromaticContact CZ2-CZ 3.43Å; W781-F797 HydrophobicContact CZ2-CZ 3.43Å; W781-F797 VanDerWaalsContact CZ2-CZ 3.43Å; W781-I807 HydrophobicContact CH2-CG2 4.43Å; W781-I807 HydrophobicContact CZ2-CB 4.48Å; W781-I807 HydrophobicContact CZ2-CG2 3.88Å; W781-A810 HydrophobicContact CH2-CB 4.27Å; W781-L834 HydrophobicContact CD2-CD2 3.81Å; W781-L834 HydrophobicContact CE3-CB 4.39Å; W781-L834 HydrophobicContact CE3-CD2 4.07Å; W781-L834 HydrophobicContact CG-CD2 4.19Å; W781-L834 HydrophobicContact CZ2-CD2 4.37Å; W781-L834 VanDerWaalsContact CZ3-C 3.42Å; W781-L834 HydrophobicContact CZ3-CB 4.2Å; W781-L834 HydrophobicContact CZ3-CD2 4.46Å; W781-L834 VanDerWaalsContact CZ3-O 3.23Å; W781-L834 WeakPolarHBondContact CZ3-O 3.4Å
782	S	95.1	Very high	88.2	Confident	2 Å²	2	18.6 Å²	18.6	1%	0.014	9%	0.087	C	C	.	.	H	α-helix	trans	-63.3	-36	176.6	-53.6	0	0	0	0	112.3	L721 Y763 L778 D779 V785 I786	L721-S782 WeakPolarHBondContact O-CB 3.39Å; Y763-S782 PolarHBondContact O-OG 3.23Å; Y763-S782 VanDerWaalsContact O-OG 3.11Å; L778-S782 PolarHBondContact O-N 3.18Å; L778-S782 PolarHBondContact O-OG 2.8Å; D779-S782 CarbonylContact O-C 3.59Å; D779-S782 WeakPolarHBondContact O-CB 3.39Å; D779-S782 PolarHBondContact O-N 2.88Å; D779-S782 VanDerWaalsContact O-N 3.16Å; S782-V785 PolarHBondContact O-N 2.73Å; S782-I786 VanDerWaalsContact O-CG1 3.28Å; S782-I786 WeakPolarHBondContact O-CG1 3.3Å; S782-I786 PolarHBondContact O-N 2.67Å
783	V	98.3	Very high	89.2	Confident	1 Å²	1	11 Å²	11	1%	0.006	6%	0.055	C	C	.	.	H	α-helix	trans	-58.9	-45	167.8	176.4	0	0	0	0	111	V701 I704 L705 L708 L721 D779 M780 W781 V785 I786 V787 L833	V701-V783 HydrophobicContact CG1-CG1 4.24Å; I704-V783 HydrophobicContact CG2-CG2 4.13Å; L705-V783 HydrophobicContact CD2-CG1 4.38Å; L708-V783 HydrophobicContact CD1-CG2 3.51Å; L721-V783 HydrophobicContact CD2-CG2 3.62Å; D779-V783 WeakPolarHBondContact O-CG2 3.32Å; D779-V783 PolarHBondContact O-N 3.43Å; M780-V783 PolarHBondContact O-N 2.8Å; W781-V783 VanDerWaalsContact C-N 3.32Å; W781-V783 PolarHBondContact O-N 3.25Å; V783-V785 VanDerWaalsContact C-N 3.3Å; V783-V785 PolarHBondContact O-N 3.01Å; V783-I786 WeakPolarHBondContact O-CB 3.12Å; V783-I786 PolarHBondContact O-N 2.92Å; V783-I786 VanDerWaalsContact O-N 3.08Å; V783-V787 HydrophobicContact CG1-CG2 4.26Å; V783-V787 WeakPolarHBondContact O-CG2 3.25Å; V783-V787 PolarHBondContact O-N 3.5Å; V783-L833 HydrophobicContact CG1-CD1 4.05Å
784	G	97.8	Very high	90.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-57.2	-41.3	175.9	0	0	0	0	0	113.3	M780 W781 Y788	M780-G784 PolarHBondContact O-N 2.87Å; M780-G784 VanDerWaalsContact O-N 3.12Å; W781-G784 WeakPolarHBondContact O-CA 3.5Å; W781-G784 PolarHBondContact O-N 2.77Å; G784-Y788 PolarHBondContact O-N 2.86Å; G784-Y788 VanDerWaalsContact O-N 3.1Å
785	V	95.3	Very high	90.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-67.7	-40.5	173.7	-177.6	0	0	0	0	111.3	Y763 W781 S782 V783 Y788 V789 F795 P796 F797 L834	Y763-V785 HydrophobicContact CD1-CB 3.89Å; Y763-V785 HydrophobicContact CD1-CG1 3.42Å; Y763-V785 VanDerWaalsContact CD1-CG1 3.42Å; Y763-V785 HydrophobicContact CE1-CB 4.46Å; Y763-V785 HydrophobicContact CE1-CG1 3.7Å; Y763-V785 HydrophobicContact CG-CG1 4.34Å; W781-V785 PolarHBondContact O-N 2.82Å; S782-V785 PolarHBondContact O-N 2.73Å; V783-V785 VanDerWaalsContact C-N 3.3Å; V783-V785 PolarHBondContact O-N 3.01Å; V785-Y788 PolarHBondContact O-N 3.42Å; V785-V789 HydrophobicContact CG1-CG2 4.07Å; V785-V789 WeakPolarHBondContact O-CB 3.03Å; V785-V789 VanDerWaalsContact O-CG2 3.26Å; V785-V789 WeakPolarHBondContact O-CG2 3.39Å; V785-V789 PolarHBondContact O-N 3.14Å; V785-F795 HydrophobicContact CG1-CD1 4.48Å; V785-P796 HydrophobicContact CG1-CG 4.07Å; V785-P796 HydrophobicContact CG2-CG 4.21Å; V785-F797 HydrophobicContact CG2-CE2 4.41Å; V785-L834 HydrophobicContact CG2-CD2 3.86Å
786	I	96.4	Very high	91	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-60.8	-44.8	175.9	-71.3	164	0	0	0	111.4	M680 I704 L721 P723 S782 V783 V789 S790	M680-I786 HydrophobicContact CE-CG2 3.95Å; M680-I786 HydrophobicContact SD-CG2 3.9Å; I704-I786 HydrophobicContact CD1-CG2 4.33Å; L721-I786 HydrophobicContact CD2-CD1 3.98Å; L721-I786 HydrophobicContact CG-CD1 3.76Å; P723-I786 HydrophobicContact CG-CG1 4.04Å; S782-I786 VanDerWaalsContact O-CG1 3.28Å; S782-I786 WeakPolarHBondContact O-CG1 3.3Å; S782-I786 PolarHBondContact O-N 2.67Å; V783-I786 WeakPolarHBondContact O-CB 3.12Å; V783-I786 PolarHBondContact O-N 2.92Å; V783-I786 VanDerWaalsContact O-N 3.08Å; I786-V789 PolarHBondContact O-N 2.83Å; I786-S790 VanDerWaalsContact O-CB 3.26Å; I786-S790 WeakPolarHBondContact O-CB 3.48Å; I786-S790 PolarHBondContact O-N 3.36Å; I786-S790 PolarHBondContact O-OG 3.04Å
787	V	98.2	Very high	90.6	Very high	0 Å²	0	7.1 Å²	7.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61.9	-47.9	176.6	-178.6	0	0	0	0	110.1	V701 V783 V789 S790 L791 I830 W852	V701-V787 HydrophobicContact CG1-CG2 4.17Å; V701-V787 HydrophobicContact CG2-CG2 3.85Å; V783-V787 HydrophobicContact CG1-CG2 4.26Å; V783-V787 WeakPolarHBondContact O-CG2 3.25Å; V783-V787 PolarHBondContact O-N 3.5Å; V787-V789 PolarHBondContact O-N 2.77Å; V787-S790 PolarHBondContact O-N 2.94Å; V787-L791 HydrophobicContact CG1-CD1 3.81Å; V787-L791 HydrophobicContact CG1-CG 4.32Å; V787-L791 WeakPolarHBondContact O-CG 3.29Å; V787-L791 PolarHBondContact O-N 3.43Å; V787-I830 HydrophobicContact CB-CD1 4.49Å; V787-I830 HydrophobicContact CB-CG1 4.06Å; V787-I830 HydrophobicContact CG1-CD1 3.91Å; V787-I830 HydrophobicContact CG1-CG1 3.74Å; V787-W852 HydrophobicContact CG1-CH2 3.83Å; V787-W852 HydrophobicContact CG1-CZ3 4.09Å; V787-W852 HydrophobicContact CG2-CZ3 4.47Å
788	Y	94.8	Very high	89.6	Confident	5 Å²	5	9.7 Å²	9.7	2%	0.02	5%	0.053	C	C	.	.	H	α-helix	trans	-58.9	-47.2	178.2	-175.3	-75.4	0	0	0	112.3	G784 V785 S792 T794 P796 M813 Y814 W819 I830	G784-Y788 PolarHBondContact O-N 2.86Å; G784-Y788 VanDerWaalsContact O-N 3.1Å; V785-Y788 PolarHBondContact O-N 3.42Å; Y788-S792 VanDerWaalsContact CE1-OG 3.25Å; Y788-S792 WeakPolarHBondContact CE1-OG 3.43Å; Y788-S792 WeakPolarHBondContact O-CB 3.46Å; Y788-S792 PolarHBondContact O-N 2.89Å; Y788-S792 PolarHBondContact O-OG 2.88Å; Y788-T794 WeakPolarHBondContact CD1-O 3.32Å; Y788-T794 VanDerWaalsContact CE1-O 3.25Å; Y788-T794 WeakPolarHBondContact CE1-O 2.98Å; Y788-P796 HydrophobicContact CD1-CB 3.87Å; Y788-P796 HydrophobicContact CD1-CG 4.1Å; Y788-P796 HydrophobicContact CD2-CB 4.03Å; Y788-P796 HydrophobicContact CE1-CB 4.05Å; Y788-P796 HydrophobicContact CE2-CB 4.2Å; Y788-P796 HydrophobicContact CG-CB 3.89Å; Y788-P796 HydrophobicContact CG-CG 4.23Å; Y788-M813 WeakPolarHBondContact CE2-O 3.32Å; Y788-M813 PolarHBondContact OH-O 3.48Å; Y788-M813 VanDerWaalsContact OH-O 3.1Å; Y788-Y814 HydrophobicContact CD2-CD1 4.41Å; Y788-Y814 HydrophobicContact CD2-CE1 4.04Å; Y788-Y814 AromaticContact CE2-CD1 3.95Å; Y788-Y814 HydrophobicContact CE2-CD1 3.95Å; Y788-Y814 HydrophobicContact CE2-CE1 4.02Å; Y788-W819 HydrophobicContact CD1-CZ2 4.3Å; Y788-W819 AromaticContact CD2-CH2 3.9Å; Y788-W819 HydrophobicContact CD2-CH2 3.9Å; Y788-W819 AromaticContact CD2-CZ2 3.39Å; Y788-W819 HydrophobicContact CD2-CZ2 3.39Å; Y788-W819 HydrophobicContact CE1-CZ2 4.29Å; Y788-W819 AromaticContact CE2-CE2 3.81Å; Y788-W819 HydrophobicContact CE2-CH2 4.28Å; Y788-W819 AromaticContact CE2-CZ2 3.39Å; Y788-W819 HydrophobicContact CE2-CZ2 3.39Å; Y788-W819 AromaticContact CE2-NE1 3.9Å; Y788-W819 HydrophobicContact CG-CH2 4.34Å; Y788-W819 AromaticContact CG-CZ2 3.85Å; Y788-W819 HydrophobicContact CG-CZ2 3.85Å; Y788-W819 AromaticContact CZ-CZ2 3.84Å; Y788-W819 AromaticContact CZ-NE1 3.82Å; Y788-I830 HydrophobicContact CD2-CG2 4.4Å
789	V	89.7	Confident	88.3	Confident	1 Å²	1	12.5 Å²	12.5	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-67.9	-35.4	178.9	174	0	0	0	0	111.2	I684 V785 I786 V787 G793 T794 F795	I684-V789 HydrophobicContact CD1-CG1 4.44Å; V785-V789 HydrophobicContact CG1-CG2 4.07Å; V785-V789 WeakPolarHBondContact O-CB 3.03Å; V785-V789 VanDerWaalsContact O-CG2 3.26Å; V785-V789 WeakPolarHBondContact O-CG2 3.39Å; V785-V789 PolarHBondContact O-N 3.14Å; I786-V789 PolarHBondContact O-N 2.83Å; V787-V789 PolarHBondContact O-N 2.77Å; V789-G793 CarbonylContact O-C 3.53Å; V789-G793 WeakPolarHBondContact O-CA 3.3Å; V789-G793 PolarHBondContact O-N 3.48Å; V789-T794 WeakPolarHBondContact CA-O 3.47Å; V789-T794 WeakPolarHBondContact CG2-O 3.46Å; V789-F795 HydrophobicContact CG1-CE2 4.41Å; V789-F795 HydrophobicContact CG1-CZ 4.37Å; V789-F795 HydrophobicContact CG2-CD1 3.9Å; V789-F795 HydrophobicContact CG2-CD2 4.34Å; V789-F795 HydrophobicContact CG2-CE1 3.83Å; V789-F795 HydrophobicContact CG2-CE2 4.25Å; V789-F795 HydrophobicContact CG2-CG 4.16Å; V789-F795 HydrophobicContact CG2-CZ 3.99Å
790	S	94.5	Very high	86.4	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-67.4	-45.8	177.8	-58.5	0	0	0	0	112.1	M680 L692 T697 I786 V787	M680-S790 WeakPolarHBondContact CE-OG 3.34Å; L692-S790 PolarHBondContact N-O 3.17Å; T697-S790 VanDerWaalsContact CG2-CB 3.48Å; I786-S790 VanDerWaalsContact O-CB 3.26Å; I786-S790 WeakPolarHBondContact O-CB 3.48Å; I786-S790 PolarHBondContact O-N 3.36Å; I786-S790 PolarHBondContact O-OG 3.04Å; V787-S790 PolarHBondContact O-N 2.94Å
791	L	93.7	Very high	84.8	Confident	2 Å²	2	23.2 Å²	23.2	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-81	-29.2	-174.9	-62.4	-179.3	0	0	0	113.7	K691 E694 T697 V787 W819 I822 A826 W852	K691-L791 WeakPolarHBondContact CD-O 3.39Å; E694-L791 HydrophobicContact CB-CD2 4.37Å; E694-L791 HydrophobicContact CG-CD1 4.44Å; E694-L791 HydrophobicContact CG-CD2 3.65Å; T697-L791 HydrophobicContact CG2-CD2 3.89Å; T697-L791 HydrophobicContact CG2-CG 4.18Å; T697-L791 WeakPolarHBondContact OG1-CD2 3.47Å; V787-L791 HydrophobicContact CG1-CD1 3.81Å; V787-L791 HydrophobicContact CG1-CG 4.32Å; V787-L791 WeakPolarHBondContact O-CG 3.29Å; V787-L791 PolarHBondContact O-N 3.43Å; L791-W819 HydrophobicContact CB-CH2 4.08Å; L791-W819 HydrophobicContact CB-CZ3 4.42Å; L791-W819 HydrophobicContact CD1-CH2 4.48Å; L791-W819 HydrophobicContact CD1-CZ3 4.38Å; L791-I822 HydrophobicContact CB-CD1 4.02Å; L791-I822 HydrophobicContact CD1-CG2 4.15Å; L791-I822 WeakPolarHBondContact O-CD1 3.32Å; L791-A826 HydrophobicContact CD1-CB 3.77Å; L791-W852 HydrophobicContact CD1-CH2 4.35Å; L791-W852 HydrophobicContact CD1-CZ2 3.89Å; L791-W852 HydrophobicContact CD2-CZ2 4.36Å
792	S	84.4	Confident	83.8	Confident	7 Å²	7	27.6 Å²	27.6	5%	0.049	14%	0.143	C	C	.	.	H	α-helix	trans	-103.8	-21.6	179.2	74.3	0	0	0	0	114.6	Y788 T794	Y788-S792 VanDerWaalsContact CE1-OG 3.25Å; Y788-S792 WeakPolarHBondContact CE1-OG 3.43Å; Y788-S792 WeakPolarHBondContact O-CB 3.46Å; Y788-S792 PolarHBondContact O-N 2.89Å; Y788-S792 PolarHBondContact O-OG 2.88Å; S792-T794 PolarHBondContact O-N 3.1Å; S792-T794 PolarHBondContact OG-N 2.82Å; S792-T794 PolarHBondContact OG-O 2.95Å; S792-T794 PolarHBondContact OG-OG1 2.9Å
793	G	79.9	Confident	82.8	Confident	5 Å²	5	28.6 Å²	28.6	5%	0.052	15%	0.148	C	C	.	.	S	Bend	trans	73.9	-18.6	-165.2	0	0	0	0	0	113.9	L421 S690 V789	L421-G793 VanDerWaalsContact CD1-O 3.27Å; L421-G793 WeakPolarHBondContact CD1-O 3.47Å; L421-G793 VanDerWaalsContact CD2-O 3.27Å; L421-G793 WeakPolarHBondContact CD2-O 3.41Å; S690-G793 VanDerWaalsContact O-CA 3.29Å; S690-G793 WeakPolarHBondContact O-CA 3.43Å; V789-G793 CarbonylContact O-C 3.53Å; V789-G793 WeakPolarHBondContact O-CA 3.3Å; V789-G793 PolarHBondContact O-N 3.48Å
794	T	78.6	Confident	81.8	Confident	42 Å²	42	32.2 Å²	32.2	26%	0.258	17%	0.167	S	C	.	.	S	Bend	trans	-98.3	166.5	-174.7	63.7	0	0	0	0	112.8	L421 Y788 V789 S792	L421-T794 HydrophobicContact CD1-CG2 3.95Å; L421-T794 HydrophobicContact CG-CG2 4.36Å; Y788-T794 WeakPolarHBondContact CD1-O 3.32Å; Y788-T794 VanDerWaalsContact CE1-O 3.25Å; Y788-T794 WeakPolarHBondContact CE1-O 2.98Å; V789-T794 WeakPolarHBondContact CA-O 3.47Å; V789-T794 WeakPolarHBondContact CG2-O 3.46Å; S792-T794 PolarHBondContact O-N 3.1Å; S792-T794 PolarHBondContact OG-N 2.82Å; S792-T794 PolarHBondContact OG-O 2.95Å; S792-T794 PolarHBondContact OG-OG1 2.9Å
795	F	81.3	Confident	81	Confident	49 Å²	49	36.3 Å²	36.3	22%	0.215	19%	0.189	C	C	.	.			trans	-88.9	146.4	174.9	-78.3	-96	0	0	0	111.8	L198 A762 Y763 V785 V789 F797	L198-F795 HydrophobicContact CD1-CD2 3.81Å; L198-F795 HydrophobicContact CD1-CE1 4.1Å; L198-F795 HydrophobicContact CD1-CE2 3.32Å; L198-F795 HydrophobicContact CD1-CG 4.41Å; L198-F795 HydrophobicContact CD1-CZ 3.48Å; L198-F795 VanDerWaalsContact CD1-CZ 3.48Å; L198-F795 HydrophobicContact CD2-CE2 4.25Å; L198-F795 HydrophobicContact CG-CE2 4.42Å; A762-F795 HydrophobicContact CB-CD1 3.69Å; A762-F795 HydrophobicContact CB-CE1 3.79Å; Y763-F795 AromaticContact CE1-CE1 3.99Å; Y763-F795 HydrophobicContact CE1-CE1 3.99Å; Y763-F795 HydrophobicContact CE2-CE1 4.04Å; Y763-F795 HydrophobicContact CE2-CZ 4.46Å; Y763-F795 AromaticContact CZ-CE1 3.6Å; Y763-F795 AromaticContact CZ-CZ 3.92Å; Y763-F795 WeakPolarHBondContact OH-CZ 3.41Å; V785-F795 HydrophobicContact CG1-CD1 4.48Å; V789-F795 HydrophobicContact CG1-CE2 4.41Å; V789-F795 HydrophobicContact CG1-CZ 4.37Å; V789-F795 HydrophobicContact CG2-CD1 3.9Å; V789-F795 HydrophobicContact CG2-CD2 4.34Å; V789-F795 HydrophobicContact CG2-CE1 3.83Å; V789-F795 HydrophobicContact CG2-CE2 4.25Å; V789-F795 HydrophobicContact CG2-CG 4.16Å; V789-F795 HydrophobicContact CG2-CZ 3.99Å; F795-F797 VanDerWaalsContact C-N 3.27Å; F795-F797 PolarHBondContact O-N 3.3Å
796	P	78.8	Confident	80.1	Confident	8 Å²	8	37.4 Å²	37.4	5%	0.052	19%	0.194	C	C	.	.	S	Bend	trans	-71.8	-22.3	177.7	26.5	-31	0	0	0	112.8	V785 Y788 F812 L834	V785-P796 HydrophobicContact CG1-CG 4.07Å; V785-P796 HydrophobicContact CG2-CG 4.21Å; Y788-P796 HydrophobicContact CD1-CB 3.87Å; Y788-P796 HydrophobicContact CD1-CG 4.1Å; Y788-P796 HydrophobicContact CD2-CB 4.03Å; Y788-P796 HydrophobicContact CE1-CB 4.05Å; Y788-P796 HydrophobicContact CE2-CB 4.2Å; Y788-P796 HydrophobicContact CG-CB 3.89Å; Y788-P796 HydrophobicContact CG-CG 4.23Å; P796-F812 HydrophobicContact CB-CB 3.76Å; P796-F812 HydrophobicContact CB-CG 4.2Å; P796-F812 WeakPolarHBondContact O-CA 3.14Å; P796-F812 WeakPolarHBondContact O-CB 3.18Å; P796-L834 HydrophobicContact CB-CD1 4.4Å
797	F	80.6	Confident	79.6	Confident	7 Å²	7	37.5 Å²	37.5	3%	0.031	20%	0.195	C	C	.	.	S	Bend	trans	-120.6	140.2	-178.6	-48	-64.8	0	0	0	111.1	W781 V785 F795 I803 Q806 I807 F812	W781-F797 HydrophobicContact CH2-CE2 4.49Å; W781-F797 AromaticContact CH2-CZ 3.88Å; W781-F797 HydrophobicContact CH2-CZ 3.88Å; W781-F797 AromaticContact CZ2-CE2 3.6Å; W781-F797 HydrophobicContact CZ2-CE2 3.6Å; W781-F797 AromaticContact CZ2-CZ 3.43Å; W781-F797 HydrophobicContact CZ2-CZ 3.43Å; W781-F797 VanDerWaalsContact CZ2-CZ 3.43Å; V785-F797 HydrophobicContact CG2-CE2 4.41Å; F795-F797 VanDerWaalsContact C-N 3.27Å; F795-F797 PolarHBondContact O-N 3.3Å; F797-I803 HydrophobicContact CB-CD1 4.02Å; F797-I803 HydrophobicContact CB-CG1 3.9Å; F797-Q806 HydrophobicContact CD1-CB 3.97Å; F797-I807 HydrophobicContact CB-CG1 4.47Å; F797-I807 HydrophobicContact CD1-CG1 4.24Å; F797-I807 HydrophobicContact CD2-CD1 4.31Å; F797-I807 HydrophobicContact CD2-CG1 3.62Å; F797-I807 HydrophobicContact CE1-CG1 4.43Å; F797-I807 HydrophobicContact CE2-CG1 3.87Å; F797-I807 HydrophobicContact CG-CG1 3.83Å; F797-I807 HydrophobicContact CZ-CG1 4.27Å; F797-F812 HydrophobicContact CD1-CB 4.2Å; F797-F812 HydrophobicContact CE1-CB 3.88Å; F797-F812 AromaticContact CE1-CD1 3.94Å; F797-F812 HydrophobicContact CE1-CD1 3.94Å; F797-F812 HydrophobicContact CE1-CG 4.36Å; F797-F812 HydrophobicContact CZ-CD1 4.18Å
798	N	69.3	Low	78.9	Confident	69 Å²	69	40.3 Å²	40.3	37%	0.369	21%	0.208	S	C	.	.			trans	-90.7	122.8	-175.8	-174.4	7.7	0	0	0	111.8	D800 E801	N798-D800 PolarHBondContact OD1-N 3.24Å; N798-E801 HydrophobicContact CB-CB 4.38Å; N798-E801 PolarHBondContact ND2-OE1 3.3Å; N798-E801 PolarHBondContact O-N 3.5Å
799	E	60.8	Low	78.3	Confident	63 Å²	63	44.5 Å²	44.5	29%	0.294	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-14.2	177.6	-62.1	-166.3	109.2	0	0	114.4	L198 V199 E801 I803	L198-E799 WeakPolarHBondContact CB-OE2 3.13Å; V199-E799 HydrophobicContact CB-CB 4.3Å; V199-E799 VanDerWaalsContact CB-OE2 3.29Å; V199-E799 WeakPolarHBondContact CB-OE2 3.18Å; V199-E799 HydrophobicContact CG2-CB 3.64Å; V199-E799 HydrophobicContact CG2-CG 4.36Å; V199-E799 VanDerWaalsContact CG2-OE2 3.27Å; V199-E799 WeakPolarHBondContact CG2-OE2 3.17Å; V199-E799 PolarHBondContact N-OE2 2.95Å; E799-E801 VanDerWaalsContact C-N 3.28Å; E799-I803 HydrophobicContact CG-CD1 3.94Å
800	D	54.7	Low	78.1	Confident	109 Å²	109	45.5 Å²	45.5	58%	0.583	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.5	173	-88.6	-12.8	0	0	0	112	K183 N798	K183-D800 IonicContact NZ-OD2 2.83Å; K183-D800 PolarHBondContact NZ-OD2 2.96Å; N798-D800 PolarHBondContact OD1-N 3.24Å
801	E	62.3	Low	77.5	Confident	117 Å²	117	48.1 Å²	48.1	55%	0.547	26%	0.26	S	S	.	.	S	Bend	trans	-112.9	-175.4	176	-74.8	173.7	-118.1	0	0	112.3	N798 E799 I803 Q806	N798-E801 HydrophobicContact CB-CB 4.38Å; N798-E801 PolarHBondContact ND2-OE1 3.3Å; N798-E801 PolarHBondContact O-N 3.5Å; E799-E801 VanDerWaalsContact C-N 3.28Å; E801-I803 PolarHBondContact O-N 3.46Å; E801-Q806 PolarHBondContact OE2-NE2 3.17Å
802	D	76.4	Confident	77.2	Confident	92 Å²	92	50 Å²	50	49%	0.492	27%	0.269	S	S	.	.			trans	-77.6	78.8	169.5	-160.2	-16.7	0	0	0	110.9	N804 D805 Q806	D802-N804 PolarHBondContact O-N 2.92Å; D802-N804 WeakPolarHBondContact OD1-CB 3.5Å; D802-N804 PolarHBondContact OD1-N 3.34Å; D802-N804 VanDerWaalsContact OD1-N 3.14Å; D802-N804 PolarHBondContact OD1-ND2 3.48Å; D802-D805 HydrophobicContact CB-CB 4.35Å; D802-D805 WeakPolarHBondContact O-CB 3.36Å; D802-D805 PolarHBondContact O-N 2.83Å; D802-Q806 PolarHBondContact O-N 3.11Å; D802-Q806 VanDerWaalsContact O-N 3.13Å
803	I	73.3	Confident	77.1	Confident	24 Å²	24	55.7 Å²	55.7	12%	0.123	30%	0.296	C	S	.	.	H	α-helix	trans	-48.6	-26.6	173.7	-173.2	160	0	0	0	113.6	F797 E799 E801 I807	F797-I803 HydrophobicContact CB-CD1 4.02Å; F797-I803 HydrophobicContact CB-CG1 3.9Å; E799-I803 HydrophobicContact CG-CD1 3.94Å; E801-I803 PolarHBondContact O-N 3.46Å; I803-I807 HydrophobicContact CD1-CD1 4.44Å; I803-I807 HydrophobicContact CG1-CD1 3.78Å; I803-I807 HydrophobicContact CG1-CG1 4.22Å; I803-I807 WeakPolarHBondContact O-CB 3.46Å; I803-I807 VanDerWaalsContact O-CG1 3.26Å; I803-I807 WeakPolarHBondContact O-CG1 3.33Å; I803-I807 PolarHBondContact O-N 3.01Å
804	N	76.6	Confident	77.3	Confident	77 Å²	77	58.3 Å²	58.3	41%	0.412	31%	0.305	S	S	.	.	H	α-helix	trans	-74	-28	177.7	-46.8	-91.9	0	0	0	112.2	L769 D802 Q808	L769-N804 HydrophobicContact CD1-CB 4.32Å; D802-N804 PolarHBondContact O-N 2.92Å; D802-N804 WeakPolarHBondContact OD1-CB 3.5Å; D802-N804 PolarHBondContact OD1-N 3.34Å; D802-N804 VanDerWaalsContact OD1-N 3.14Å; D802-N804 PolarHBondContact OD1-ND2 3.48Å; N804-Q808 WeakPolarHBondContact O-CB 3.44Å; N804-Q808 WeakPolarHBondContact O-CG 3.44Å; N804-Q808 PolarHBondContact O-N 3.26Å; N804-Q808 PolarHBondContact O-NE2 2.74Å
805	D	80.9	Confident	77.3	Confident	85 Å²	85	58 Å²	58	46%	0.455	30%	0.303	S	S	.	.	H	α-helix	trans	-80.1	-45.6	172.9	-170.3	70.5	0	0	0	110.2	D802 I807 Q808 N809	D802-D805 HydrophobicContact CB-CB 4.35Å; D802-D805 WeakPolarHBondContact O-CB 3.36Å; D802-D805 PolarHBondContact O-N 2.83Å; D805-I807 PolarHBondContact O-N 2.78Å; D805-Q808 PolarHBondContact O-N 3.32Å; D805-N809 WeakPolarHBondContact O-CB 3.46Å; D805-N809 PolarHBondContact O-N 3.14Å; D805-N809 PolarHBondContact O-ND2 2.86Å; D805-N809 PolarHBondContact OD1-ND2 3.01Å; D805-N809 PolarHBondContact OD2-ND2 2.81Å
806	Q	78.1	Confident	77	Confident	23 Å²	23	60.4 Å²	60.4	11%	0.107	32%	0.324	C	S	.	.	H	α-helix	trans	-55.1	-50.2	175.5	-66.7	-171.1	-6.3	0	0	112.2	F797 E801 D802 Q808 N809 A810 A811	F797-Q806 HydrophobicContact CD1-CB 3.97Å; E801-Q806 PolarHBondContact OE2-NE2 3.17Å; D802-Q806 PolarHBondContact O-N 3.11Å; D802-Q806 VanDerWaalsContact O-N 3.13Å; Q806-Q808 PolarHBondContact O-N 3.25Å; Q806-N809 PolarHBondContact O-N 3.44Å; Q806-A810 CarbonylContact O-C 3.29Å; Q806-A810 VanDerWaalsContact O-CA 3.29Å; Q806-A810 WeakPolarHBondContact O-CA 3.5Å; Q806-A810 PolarHBondContact O-N 3.23Å; Q806-A811 PolarHBondContact O-N 2.85Å
807	I	83.9	Confident	77	Confident	3 Å²	3	63.7 Å²	63.7	2%	0.015	34%	0.344	C	S	.	.	H	α-helix	trans	-59	-46.4	173.9	-72.5	169.5	0	0	0	110.8	L764 P766 L769 W781 F797 I803 D805 N809 A810	L764-I807 WeakPolarHBondContact O-CG2 3.39Å; P766-I807 HydrophobicContact CB-CG2 4.28Å; P766-I807 HydrophobicContact CG-CG2 3.83Å; P766-I807 VanDerWaalsContact CG-O 3.31Å; P766-I807 WeakPolarHBondContact CG-O 3.41Å; L769-I807 HydrophobicContact CD1-CB 3.99Å; L769-I807 HydrophobicContact CD1-CD1 4.37Å; L769-I807 HydrophobicContact CD1-CG2 3.61Å; W781-I807 HydrophobicContact CH2-CG2 4.43Å; W781-I807 HydrophobicContact CZ2-CB 4.48Å; W781-I807 HydrophobicContact CZ2-CG2 3.88Å; F797-I807 HydrophobicContact CB-CG1 4.47Å; F797-I807 HydrophobicContact CD1-CG1 4.24Å; F797-I807 HydrophobicContact CD2-CD1 4.31Å; F797-I807 HydrophobicContact CD2-CG1 3.62Å; F797-I807 HydrophobicContact CE1-CG1 4.43Å; F797-I807 HydrophobicContact CE2-CG1 3.87Å; F797-I807 HydrophobicContact CG-CG1 3.83Å; F797-I807 HydrophobicContact CZ-CG1 4.27Å; I803-I807 HydrophobicContact CD1-CD1 4.44Å; I803-I807 HydrophobicContact CG1-CD1 3.78Å; I803-I807 HydrophobicContact CG1-CG1 4.22Å; I803-I807 WeakPolarHBondContact O-CB 3.46Å; I803-I807 VanDerWaalsContact O-CG1 3.26Å; I803-I807 WeakPolarHBondContact O-CG1 3.33Å; I803-I807 PolarHBondContact O-N 3.01Å; D805-I807 PolarHBondContact O-N 2.78Å; I807-N809 VanDerWaalsContact C-N 3.26Å; I807-N809 PolarHBondContact O-N 3.19Å; I807-A810 PolarHBondContact O-N 3.26Å
808	Q	83.6	Confident	77.2	Confident	58 Å²	58	64.3 Å²	64.3	27%	0.271	35%	0.349	S	S	.	.	H	α-helix	trans	-65.5	-27.2	-176.1	-86.9	-172.8	96.9	0	0	114.8	L769 R770 N804 D805 Q806 V836	L769-Q808 HydrophobicContact CD1-CG 4.42Å; R770-Q808 VanDerWaalsContact NH2-CB 3.31Å; R770-Q808 PolarHBondContact NH2-O 3.16Å; N804-Q808 WeakPolarHBondContact O-CB 3.44Å; N804-Q808 WeakPolarHBondContact O-CG 3.44Å; N804-Q808 PolarHBondContact O-N 3.26Å; N804-Q808 PolarHBondContact O-NE2 2.74Å; D805-Q808 PolarHBondContact O-N 3.32Å; Q806-Q808 PolarHBondContact O-N 3.25Å; Q808-V836 VanDerWaalsContact O-CG1 3.25Å; Q808-V836 WeakPolarHBondContact O-CG1 3.29Å
809	N	83.6	Confident	78.1	Confident	93 Å²	93	61.8 Å²	61.8	50%	0.497	33%	0.334	S	S	.	.	H	α-helix	trans	-100.2	-6.3	178.6	-61	-30.4	0	0	0	112.3	D805 Q806 I807 A811	D805-N809 WeakPolarHBondContact O-CB 3.46Å; D805-N809 PolarHBondContact O-N 3.14Å; D805-N809 PolarHBondContact O-ND2 2.86Å; D805-N809 PolarHBondContact OD1-ND2 3.01Å; D805-N809 PolarHBondContact OD2-ND2 2.81Å; Q806-N809 PolarHBondContact O-N 3.44Å; I807-N809 VanDerWaalsContact C-N 3.26Å; I807-N809 PolarHBondContact O-N 3.19Å; N809-A811 HydrophobicContact CB-CB 4.46Å; N809-A811 PolarHBondContact O-N 2.59Å
810	A	85	Confident	79.4	Confident	23 Å²	23	66 Å²	66	19%	0.19	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	40.6	-164.9	0	0	0	0	0	112.8	W781 Q806 I807 F812 L834 V836	W781-A810 HydrophobicContact CH2-CB 4.27Å; Q806-A810 CarbonylContact O-C 3.29Å; Q806-A810 VanDerWaalsContact O-CA 3.29Å; Q806-A810 WeakPolarHBondContact O-CA 3.5Å; Q806-A810 PolarHBondContact O-N 3.23Å; I807-A810 PolarHBondContact O-N 3.26Å; A810-F812 VanDerWaalsContact C-N 3.34Å; A810-F812 HydrophobicContact CB-CD1 4.35Å; A810-F812 HydrophobicContact CB-CE1 4.16Å; A810-F812 VanDerWaalsContact O-CD1 3.23Å; A810-F812 WeakPolarHBondContact O-CD1 3.22Å; A810-F812 PolarHBondContact O-N 3.02Å; A810-L834 WeakPolarHBondContact CB-O 3.44Å; A810-V836 HydrophobicContact CB-CG2 3.41Å; A810-V836 VanDerWaalsContact CB-CG2 3.41Å
811	A	82.8	Confident	81.1	Confident	54 Å²	54	65.8 Å²	65.8	45%	0.446	35%	0.35	S	S	.	.			trans	-79.9	84.6	174.5	0	0	0	0	0	109.8	Q806 N809	Q806-A811 PolarHBondContact O-N 2.85Å; N809-A811 HydrophobicContact CB-CB 4.46Å; N809-A811 PolarHBondContact O-N 2.59Å
812	F	85.6	Confident	82.7	Confident	43 Å²	43	61.1 Å²	61.1	19%	0.189	33%	0.329	C	S	.	.			trans	-121.7	171.2	165.7	63.6	-88	0	0	0	109.1	P796 F797 A810 Y814 I830 L834	P796-F812 HydrophobicContact CB-CB 3.76Å; P796-F812 HydrophobicContact CB-CG 4.2Å; P796-F812 WeakPolarHBondContact O-CA 3.14Å; P796-F812 WeakPolarHBondContact O-CB 3.18Å; F797-F812 HydrophobicContact CD1-CB 4.2Å; F797-F812 HydrophobicContact CE1-CB 3.88Å; F797-F812 AromaticContact CE1-CD1 3.94Å; F797-F812 HydrophobicContact CE1-CD1 3.94Å; F797-F812 HydrophobicContact CE1-CG 4.36Å; F797-F812 HydrophobicContact CZ-CD1 4.18Å; A810-F812 VanDerWaalsContact C-N 3.34Å; A810-F812 HydrophobicContact CB-CD1 4.35Å; A810-F812 HydrophobicContact CB-CE1 4.16Å; A810-F812 VanDerWaalsContact O-CD1 3.23Å; A810-F812 WeakPolarHBondContact O-CD1 3.22Å; A810-F812 PolarHBondContact O-N 3.02Å; F812-Y814 HydrophobicContact CE2-CE1 4.28Å; F812-Y814 HydrophobicContact CE2-CE2 4.07Å; F812-Y814 AromaticContact CE2-CZ 3.71Å; F812-I830 HydrophobicContact CE2-CG2 4.19Å; F812-I830 HydrophobicContact CZ-CG2 4.41Å; F812-L834 HydrophobicContact CD1-CB 4.4Å; F812-L834 HydrophobicContact CD1-CD1 3.94Å; F812-L834 HydrophobicContact CD2-CD1 4.37Å; F812-L834 HydrophobicContact CE1-CB 3.52Å; F812-L834 HydrophobicContact CE1-CD1 3.66Å; F812-L834 HydrophobicContact CE1-CG 4.24Å; F812-L834 HydrophobicContact CE2-CD1 4.11Å; F812-L834 HydrophobicContact CG-CD1 4.31Å; F812-L834 HydrophobicContact CZ-CB 3.86Å; F812-L834 HydrophobicContact CZ-CD1 3.76Å; F812-L834 HydrophobicContact CZ-CG 4.38Å
813	M	83.5	Confident	83.7	Confident	125 Å²	125	58.1 Å²	58.1	62%	0.616	32%	0.315	S	S	*	.			trans	-142.4	167	-178.1	65.1	178.6	-63.8	0	0	111.8	Y788 P815	Y788-M813 WeakPolarHBondContact CE2-O 3.32Å; Y788-M813 PolarHBondContact OH-O 3.48Å; Y788-M813 VanDerWaalsContact OH-O 3.1Å; M813-P815 HydrophobicContact CE-CG 4.25Å; M813-P815 HydrophobicContact CG-CG 4.27Å; M813-P815 WeakPolarHBondContact O-CD 3.44Å
814	Y	84.8	Confident	84.9	Confident	60 Å²	60	60.1 Å²	60.1	24%	0.235	34%	0.335	C	S	.	.			trans	-114.7	90	175	-61.4	-66.6	0	0	0	110.1	Y788 F812 W819 T827 I830 N831	Y788-Y814 HydrophobicContact CD2-CD1 4.41Å; Y788-Y814 HydrophobicContact CD2-CE1 4.04Å; Y788-Y814 AromaticContact CE2-CD1 3.95Å; Y788-Y814 HydrophobicContact CE2-CD1 3.95Å; Y788-Y814 HydrophobicContact CE2-CE1 4.02Å; F812-Y814 HydrophobicContact CE2-CE1 4.28Å; F812-Y814 HydrophobicContact CE2-CE2 4.07Å; F812-Y814 AromaticContact CE2-CZ 3.71Å; Y814-W819 AromaticContact CD1-CD2 3.52Å; Y814-W819 HydrophobicContact CD1-CD2 3.52Å; Y814-W819 AromaticContact CD1-CE2 3.65Å; Y814-W819 AromaticContact CD1-CE3 3.69Å; Y814-W819 HydrophobicContact CD1-CE3 3.69Å; Y814-W819 HydrophobicContact CD1-CG 4.01Å; Y814-W819 HydrophobicContact CD1-CH2 4.16Å; Y814-W819 AromaticContact CD1-CZ2 3.98Å; Y814-W819 HydrophobicContact CD1-CZ2 3.98Å; Y814-W819 HydrophobicContact CD1-CZ3 4Å; Y814-W819 HydrophobicContact CE1-CD2 4.31Å; Y814-W819 HydrophobicContact CE1-CE3 4.11Å; Y814-W819 HydrophobicContact CE1-CH2 4.04Å; Y814-W819 HydrophobicContact CE1-CZ2 4.2Å; Y814-W819 AromaticContact CE1-CZ3 3.97Å; Y814-W819 HydrophobicContact CE1-CZ3 3.97Å; Y814-W819 HydrophobicContact CG-CD2 4.31Å; Y814-W819 HydrophobicContact CG-CG 4.39Å; Y814-T827 HydrophobicContact CD1-CG2 4.22Å; Y814-T827 HydrophobicContact CE1-CG2 4.06Å; Y814-T827 HydrophobicContact CE2-CG2 4.4Å; Y814-T827 HydrophobicContact CG-CG2 4.44Å; Y814-T827 PolarHBondContact OH-O 3.43Å; Y814-T827 VanDerWaalsContact OH-O 3.04Å; Y814-I830 HydrophobicContact CE1-CD1 4.29Å; Y814-I830 HydrophobicContact CE1-CG2 4.36Å; Y814-I830 WeakPolarHBondContact OH-CB 3.39Å; Y814-I830 VanDerWaalsContact OH-CG2 3.29Å; Y814-I830 WeakPolarHBondContact OH-CG2 3.37Å; Y814-N831 WeakPolarHBondContact CE2-OD1 3.26Å; Y814-N831 PolarHBondContact OH-OD1 2.99Å
815	P	78.3	Confident	85.9	Confident	36 Å²	36	61 Å²	61	23%	0.234	34%	0.337	C	S	.	.			trans	-60.7	136.3	178.6	-25.1	35	0	0	0	112.1	M813 T817 W819	M813-P815 HydrophobicContact CE-CG 4.25Å; M813-P815 HydrophobicContact CG-CG 4.27Å; M813-P815 WeakPolarHBondContact O-CD 3.44Å; P815-T817 CarbonylContact O-C 3.48Å; P815-T817 VanDerWaalsContact O-C 3.29Å; P815-T817 PolarHBondContact O-N 3.37Å; P815-W819 WeakPolarHBondContact O-CB 3.5Å; P815-W819 VanDerWaalsContact O-CD1 3.27Å; P815-W819 PolarHBondContact O-N 3.32Å; P815-W819 VanDerWaalsContact O-N 3.16Å
816	P	74	Confident	86.7	Confident	99 Å²	99	57 Å²	57	64%	0.643	32%	0.315	S	S	*	.	H	α-helix	trans	-54.1	-26.3	-173.7	-30.4	36	0	0	0	115.5	W819 K820	P816-W819 PolarHBondContact O-N 2.74Å; P816-K820 WeakPolarHBondContact O-CB 3.17Å; P816-K820 WeakPolarHBondContact O-CD 3.33Å; P816-K820 WeakPolarHBondContact O-CG 2.98Å; P816-K820 PolarHBondContact O-N 3.38Å
817	T	78.3	Confident	87.6	Confident	78 Å²	78	57.3 Å²	57.3	48%	0.479	32%	0.319	S	S	.	.	H	α-helix	trans	-109.5	120.9	163.1	-57.5	0	0	0	0	108.4	P815	P815-T817 CarbonylContact O-C 3.48Å; P815-T817 VanDerWaalsContact O-C 3.29Å; P815-T817 PolarHBondContact O-N 3.37Å
818	P	84.7	Confident	88.3	Confident	20 Å²	20	60.6 Å²	60.6	13%	0.13	34%	0.336	C	S	.	.	H	α-helix	cis	-90.5	-0.3	3.6	33.3	-31	0	0	0	115.6	K691 K820 D821 I822	K691-P818 HydrophobicContact CD-CB 4.42Å; K691-P818 HydrophobicContact CD-CG 4.49Å; P818-K820 VanDerWaalsContact C-N 3.29Å; P818-K820 PolarHBondContact O-N 3.42Å; P818-K820 VanDerWaalsContact O-N 3.16Å; P818-D821 PolarHBondContact O-N 3.11Å; P818-I822 HydrophobicContact CB-CD1 4.24Å; P818-I822 HydrophobicContact CG-CD1 4.12Å
819	W	88.7	Confident	89	Confident	16 Å²	16	57.8 Å²	57.8	6%	0.061	32%	0.324	C	S	.	.	H	α-helix	trans	-71.3	-11.8	-162.2	-65.9	97.2	0	0	0	116.5	Y788 L791 Y814 P815 P816 D821 I822 T827 I830	Y788-W819 HydrophobicContact CD1-CZ2 4.3Å; Y788-W819 AromaticContact CD2-CH2 3.9Å; Y788-W819 HydrophobicContact CD2-CH2 3.9Å; Y788-W819 AromaticContact CD2-CZ2 3.39Å; Y788-W819 HydrophobicContact CD2-CZ2 3.39Å; Y788-W819 HydrophobicContact CE1-CZ2 4.29Å; Y788-W819 AromaticContact CE2-CE2 3.81Å; Y788-W819 HydrophobicContact CE2-CH2 4.28Å; Y788-W819 AromaticContact CE2-CZ2 3.39Å; Y788-W819 HydrophobicContact CE2-CZ2 3.39Å; Y788-W819 AromaticContact CE2-NE1 3.9Å; Y788-W819 HydrophobicContact CG-CH2 4.34Å; Y788-W819 AromaticContact CG-CZ2 3.85Å; Y788-W819 HydrophobicContact CG-CZ2 3.85Å; Y788-W819 AromaticContact CZ-CZ2 3.84Å; Y788-W819 AromaticContact CZ-NE1 3.82Å; L791-W819 HydrophobicContact CB-CH2 4.08Å; L791-W819 HydrophobicContact CB-CZ3 4.42Å; L791-W819 HydrophobicContact CD1-CH2 4.48Å; L791-W819 HydrophobicContact CD1-CZ3 4.38Å; Y814-W819 AromaticContact CD1-CD2 3.52Å; Y814-W819 HydrophobicContact CD1-CD2 3.52Å; Y814-W819 AromaticContact CD1-CE2 3.65Å; Y814-W819 AromaticContact CD1-CE3 3.69Å; Y814-W819 HydrophobicContact CD1-CE3 3.69Å; Y814-W819 HydrophobicContact CD1-CG 4.01Å; Y814-W819 HydrophobicContact CD1-CH2 4.16Å; Y814-W819 AromaticContact CD1-CZ2 3.98Å; Y814-W819 HydrophobicContact CD1-CZ2 3.98Å; Y814-W819 HydrophobicContact CD1-CZ3 4Å; Y814-W819 HydrophobicContact CE1-CD2 4.31Å; Y814-W819 HydrophobicContact CE1-CE3 4.11Å; Y814-W819 HydrophobicContact CE1-CH2 4.04Å; Y814-W819 HydrophobicContact CE1-CZ2 4.2Å; Y814-W819 AromaticContact CE1-CZ3 3.97Å; Y814-W819 HydrophobicContact CE1-CZ3 3.97Å; Y814-W819 HydrophobicContact CG-CD2 4.31Å; Y814-W819 HydrophobicContact CG-CG 4.39Å; P815-W819 WeakPolarHBondContact O-CB 3.5Å; P815-W819 VanDerWaalsContact O-CD1 3.27Å; P815-W819 PolarHBondContact O-N 3.32Å; P815-W819 VanDerWaalsContact O-N 3.16Å; P816-W819 PolarHBondContact O-N 2.74Å; W819-D821 PolarHBondContact O-N 3.11Å; W819-I822 HydrophobicContact CD2-CD1 3.84Å; W819-I822 HydrophobicContact CE3-CB 3.98Å; W819-I822 HydrophobicContact CE3-CD1 3.61Å; W819-I822 HydrophobicContact CE3-CG1 4.38Å; W819-I822 HydrophobicContact CE3-CG2 3.72Å; W819-I822 HydrophobicContact CG-CD1 4.36Å; W819-I822 HydrophobicContact CZ3-CB 4.46Å; W819-I822 HydrophobicContact CZ3-CD1 3.98Å; W819-I822 HydrophobicContact CZ3-CG2 3.74Å; W819-T827 HydrophobicContact CE3-CG2 3.8Å; W819-T827 HydrophobicContact CZ3-CG2 4.03Å; W819-I830 HydrophobicContact CH2-CD1 3.42Å; W819-I830 VanDerWaalsContact CH2-CD1 3.42Å; W819-I830 HydrophobicContact CZ3-CD1 3.74Å
820	K	89	Confident	89.7	Confident	150 Å²	150	53.4 Å²	53.4	65%	0.652	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-24.5	168	77	-174.3	-178.2	149.3	0	113.2	P816 P818	P816-K820 WeakPolarHBondContact O-CB 3.17Å; P816-K820 WeakPolarHBondContact O-CD 3.33Å; P816-K820 WeakPolarHBondContact O-CG 2.98Å; P816-K820 PolarHBondContact O-N 3.38Å; P818-K820 VanDerWaalsContact C-N 3.29Å; P818-K820 PolarHBondContact O-N 3.42Å; P818-K820 VanDerWaalsContact O-N 3.16Å
821	D	90.6	Very high	90.3	Very high	105 Å²	105	55 Å²	55	56%	0.561	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.4	18.3	-175	-51.8	-58.4	0	0	0	111.1	P818 W819	P818-D821 PolarHBondContact O-N 3.11Å; W819-D821 PolarHBondContact O-N 3.11Å
822	I	94.8	Very high	91.1	Very high	19 Å²	19	53.8 Å²	53.8	10%	0.097	29%	0.291	C	S	.	.	S	Bend	trans	-124.6	141.6	-177.5	-66.8	168.6	0	0	0	108.1	E694 L791 P818 W819 A826	E694-I822 WeakPolarHBondContact OE1-CA 3.38Å; L791-I822 HydrophobicContact CB-CD1 4.02Å; L791-I822 HydrophobicContact CD1-CG2 4.15Å; L791-I822 WeakPolarHBondContact O-CD1 3.32Å; P818-I822 HydrophobicContact CB-CD1 4.24Å; P818-I822 HydrophobicContact CG-CD1 4.12Å; W819-I822 HydrophobicContact CD2-CD1 3.84Å; W819-I822 HydrophobicContact CE3-CB 3.98Å; W819-I822 HydrophobicContact CE3-CD1 3.61Å; W819-I822 HydrophobicContact CE3-CG1 4.38Å; W819-I822 HydrophobicContact CE3-CG2 3.72Å; W819-I822 HydrophobicContact CG-CD1 4.36Å; W819-I822 HydrophobicContact CZ3-CB 4.46Å; W819-I822 HydrophobicContact CZ3-CD1 3.98Å; W819-I822 HydrophobicContact CZ3-CG2 3.74Å; I822-A826 HydrophobicContact CG2-CB 3.71Å
823	S	97.8	Very high	91.7	Very high	30 Å²	30	51.8 Å²	51.8	21%	0.21	28%	0.282	C	S	.	.			trans	-60.7	148.4	-176.2	68.9	0	0	0	0	113.6	E694 E825 A826 T827 W852	E694-S823 PolarHBondContact OE1-N 3.35Å; E694-S823 WeakPolarHBondContact OE2-CB 3.47Å; E694-S823 PolarHBondContact OE2-OG 3.02Å; S823-E825 WeakPolarHBondContact CB-OE2 3.12Å; S823-E825 PolarHBondContact O-N 2.94Å; S823-A826 WeakPolarHBondContact O-CB 3.24Å; S823-A826 PolarHBondContact O-N 2.66Å; S823-A826 WeakPolarHBondContact OG-CB 3.34Å; S823-A826 PolarHBondContact OG-N 3.19Å; S823-A826 VanDerWaalsContact OG-N 3.15Å; S823-T827 PolarHBondContact O-N 2.67Å; S823-W852 PolarHBondContact OG-NE1 3.21Å
824	A	97.5	Very high	92.3	Very high	65 Å²	65	45.9 Å²	45.9	54%	0.537	25%	0.253	S	S	.	.	H	α-helix	trans	-63.5	-36.3	176.1	0	0	0	0	0	110.5	A826 T827 D828	A824-A826 VanDerWaalsContact C-N 3.31Å; A824-A826 PolarHBondContact O-N 2.89Å; A824-T827 PolarHBondContact O-N 3.33Å; A824-T827 VanDerWaalsContact O-N 3.08Å; A824-T827 PolarHBondContact O-OG1 2.93Å; A824-D828 PolarHBondContact O-N 2.75Å
825	E	98.3	Very high	92.7	Very high	97 Å²	97	45.6 Å²	45.6	45%	0.453	25%	0.254	S	S	.	.	H	α-helix	trans	-60.9	-36.9	176.9	-62	70.3	-157.4	0	0	111.7	S823 L829 H850 W852	S823-E825 WeakPolarHBondContact CB-OE2 3.12Å; S823-E825 PolarHBondContact O-N 2.94Å; E825-L829 PolarHBondContact O-N 3.23Å; E825-H850 PolarHBondContact O-CE1 2.84Å; E825-H850 VanDerWaalsContact O-CE1 3.25Å; E825-W852 HydrophobicContact CB-CB 3.96Å; E825-W852 HydrophobicContact CB-CG 4.35Å
826	A	98.2	Very high	93.3	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-45.8	172	0	0	0	0	0	111.3	L791 I822 S823 A824 L829 I830 W852	L791-A826 HydrophobicContact CD1-CB 3.77Å; I822-A826 HydrophobicContact CG2-CB 3.71Å; S823-A826 WeakPolarHBondContact O-CB 3.24Å; S823-A826 PolarHBondContact O-N 2.66Å; S823-A826 WeakPolarHBondContact OG-CB 3.34Å; S823-A826 PolarHBondContact OG-N 3.19Å; S823-A826 VanDerWaalsContact OG-N 3.15Å; A824-A826 VanDerWaalsContact C-N 3.31Å; A824-A826 PolarHBondContact O-N 2.89Å; A826-L829 PolarHBondContact O-N 3.13Å; A826-I830 VanDerWaalsContact O-CG1 3.3Å; A826-I830 WeakPolarHBondContact O-CG1 3.49Å; A826-I830 PolarHBondContact O-N 3.31Å; A826-I830 VanDerWaalsContact O-N 3.08Å; A826-W852 HydrophobicContact CB-CD2 4.43Å; A826-W852 HydrophobicContact CB-CG 4.46Å; A826-W852 HydrophobicContact CB-CZ2 4.24Å
827	T	97.8	Very high	94	Very high	30 Å²	30	48.4 Å²	48.4	18%	0.184	26%	0.256	C	S	.	.	H	α-helix	trans	-67.7	-36.8	179.9	69.5	0	0	0	0	112.1	Y814 W819 S823 A824 I830 N831	Y814-T827 HydrophobicContact CD1-CG2 4.22Å; Y814-T827 HydrophobicContact CE1-CG2 4.06Å; Y814-T827 HydrophobicContact CE2-CG2 4.4Å; Y814-T827 HydrophobicContact CG-CG2 4.44Å; Y814-T827 PolarHBondContact OH-O 3.43Å; Y814-T827 VanDerWaalsContact OH-O 3.04Å; W819-T827 HydrophobicContact CE3-CG2 3.8Å; W819-T827 HydrophobicContact CZ3-CG2 4.03Å; S823-T827 PolarHBondContact O-N 2.67Å; A824-T827 PolarHBondContact O-N 3.33Å; A824-T827 VanDerWaalsContact O-N 3.08Å; A824-T827 PolarHBondContact O-OG1 2.93Å; T827-I830 PolarHBondContact O-N 3.17Å; T827-N831 WeakPolarHBondContact O-CB 3.45Å; T827-N831 PolarHBondContact O-N 3.24Å; T827-N831 PolarHBondContact O-ND2 2.89Å; T827-N831 VanDerWaalsContact O-ND2 3.1Å; T827-N831 PolarHBondContact O-OD1 2.65Å
828	D	98.4	Very high	94.5	Very high	71 Å²	71	48.2 Å²	48.2	38%	0.38	25%	0.25	S	S	.	.	H	α-helix	trans	-65.8	-41.5	175.3	-171	63.6	0	0	0	111.8	A824 I830 N831 N832 H850	A824-D828 PolarHBondContact O-N 2.75Å; D828-I830 PolarHBondContact O-N 3.2Å; D828-N831 WeakPolarHBondContact O-CB 3.39Å; D828-N831 PolarHBondContact O-N 3.42Å; D828-N832 VanDerWaalsContact CG-ND2 3.3Å; D828-N832 WeakPolarHBondContact O-CB 3.27Å; D828-N832 PolarHBondContact O-N 2.74Å; D828-N832 PolarHBondContact O-ND2 2.79Å; D828-N832 PolarHBondContact OD1-ND2 3Å; D828-N832 PolarHBondContact OD2-ND2 3.29Å; D828-H850 IonicContact OD2-NE2 3.25Å; D828-H850 PolarHBondContact OD2-NE2 2.8Å
829	L	98.5	Very high	94.6	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.8	-44.6	175.4	-174.5	56.6	0	0	0	111.6	E825 A826 N831 N832 L833 Y842 H850 W852 L853	E825-L829 PolarHBondContact O-N 3.23Å; A826-L829 PolarHBondContact O-N 3.13Å; L829-N831 VanDerWaalsContact C-N 3.33Å; L829-N831 PolarHBondContact O-N 3Å; L829-N832 PolarHBondContact O-N 2.77Å; L829-L833 HydrophobicContact CD1-CD1 4.16Å; L829-L833 HydrophobicContact CD1-CG 4.22Å; L829-L833 HydrophobicContact CD2-CD1 4.47Å; L829-L833 HydrophobicContact CG-CD1 3.87Å; L829-L833 HydrophobicContact CG-CG 4.38Å; L829-L833 WeakPolarHBondContact O-CB 3.23Å; L829-L833 VanDerWaalsContact O-CG 3.3Å; L829-L833 WeakPolarHBondContact O-CG 3.22Å; L829-L833 PolarHBondContact O-N 3.36Å; L829-Y842 HydrophobicContact CD1-CD2 4.3Å; L829-H850 HydrophobicContact CD1-CB 3.91Å; L829-W852 HydrophobicContact CD2-CD2 4.36Å; L829-W852 HydrophobicContact CD2-CE3 3.48Å; L829-W852 VanDerWaalsContact CD2-CE3 3.48Å; L829-W852 HydrophobicContact CD2-CZ3 4.09Å; L829-L853 HydrophobicContact CD2-CG 4.49Å
830	I	98.4	Very high	94.8	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-60.9	-43.2	175.7	-65.4	163.5	0	0	0	110.6	V787 Y788 F812 Y814 W819 A826 T827 D828 N832 L833 L834	V787-I830 HydrophobicContact CB-CD1 4.49Å; V787-I830 HydrophobicContact CB-CG1 4.06Å; V787-I830 HydrophobicContact CG1-CD1 3.91Å; V787-I830 HydrophobicContact CG1-CG1 3.74Å; Y788-I830 HydrophobicContact CD2-CG2 4.4Å; F812-I830 HydrophobicContact CE2-CG2 4.19Å; F812-I830 HydrophobicContact CZ-CG2 4.41Å; Y814-I830 HydrophobicContact CE1-CD1 4.29Å; Y814-I830 HydrophobicContact CE1-CG2 4.36Å; Y814-I830 WeakPolarHBondContact OH-CB 3.39Å; Y814-I830 VanDerWaalsContact OH-CG2 3.29Å; Y814-I830 WeakPolarHBondContact OH-CG2 3.37Å; W819-I830 HydrophobicContact CH2-CD1 3.42Å; W819-I830 VanDerWaalsContact CH2-CD1 3.42Å; W819-I830 HydrophobicContact CZ3-CD1 3.74Å; A826-I830 VanDerWaalsContact O-CG1 3.3Å; A826-I830 WeakPolarHBondContact O-CG1 3.49Å; A826-I830 PolarHBondContact O-N 3.31Å; A826-I830 VanDerWaalsContact O-N 3.08Å; T827-I830 PolarHBondContact O-N 3.17Å; D828-I830 PolarHBondContact O-N 3.2Å; I830-N832 VanDerWaalsContact C-N 3.27Å; I830-N832 PolarHBondContact O-N 2.97Å; I830-L833 PolarHBondContact O-N 2.68Å; I830-L834 HydrophobicContact CG2-CD1 3.64Å; I830-L834 HydrophobicContact CG2-CG 4.08Å; I830-L834 WeakPolarHBondContact O-CB 3.35Å; I830-L834 PolarHBondContact O-N 3.13Å
831	N	97.6	Very high	95.2	Very high	56 Å²	56	58.7 Å²	58.7	30%	0.299	29%	0.287	S	S	.	.	H	α-helix	trans	-60.5	-36	176.3	-66.6	-23.8	0	0	0	112.3	Y814 T827 D828 L829 Q835	Y814-N831 WeakPolarHBondContact CE2-OD1 3.26Å; Y814-N831 PolarHBondContact OH-OD1 2.99Å; T827-N831 WeakPolarHBondContact O-CB 3.45Å; T827-N831 PolarHBondContact O-N 3.24Å; T827-N831 PolarHBondContact O-ND2 2.89Å; T827-N831 VanDerWaalsContact O-ND2 3.1Å; T827-N831 PolarHBondContact O-OD1 2.65Å; D828-N831 WeakPolarHBondContact O-CB 3.39Å; D828-N831 PolarHBondContact O-N 3.42Å; L829-N831 VanDerWaalsContact C-N 3.33Å; L829-N831 PolarHBondContact O-N 3Å; N831-Q835 WeakPolarHBondContact O-CG 3.47Å; N831-Q835 PolarHBondContact O-NE2 2.7Å
832	N	98.2	Very high	95.5	Very high	30 Å²	30	56.1 Å²	56.1	16%	0.16	27%	0.27	C	S	.	.	H	α-helix	trans	-78.4	-24.7	177.6	-80.3	-68.8	0	0	0	113.7	D828 L829 I830 R841 Y842	D828-N832 VanDerWaalsContact CG-ND2 3.3Å; D828-N832 WeakPolarHBondContact O-CB 3.27Å; D828-N832 PolarHBondContact O-N 2.74Å; D828-N832 PolarHBondContact O-ND2 2.79Å; D828-N832 PolarHBondContact OD1-ND2 3Å; D828-N832 PolarHBondContact OD2-ND2 3.29Å; L829-N832 PolarHBondContact O-N 2.77Å; I830-N832 VanDerWaalsContact C-N 3.27Å; I830-N832 PolarHBondContact O-N 2.97Å; N832-R841 WeakPolarHBondContact O-CA 3Å; N832-Y842 HydrophobicContact CB-CD1 3.62Å; N832-Y842 HydrophobicContact CB-CD2 4.24Å; N832-Y842 HydrophobicContact CB-CE1 3.55Å; N832-Y842 HydrophobicContact CB-CE2 4.22Å; N832-Y842 HydrophobicContact CB-CG 3.96Å; N832-Y842 PolarHBondContact O-N 2.92Å; N832-Y842 VanDerWaalsContact O-N 3.15Å; N832-Y842 WeakPolarHBondContact OD1-CE1 3.35Å
833	L	97.9	Very high	95.6	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-86.3	-35.4	174.2	-68.5	171	0	0	0	113.1	M780 V783 L829 I830 Q835 R841	M780-L833 HydrophobicContact CB-CD2 4.28Å; M780-L833 HydrophobicContact CE-CD2 3.64Å; V783-L833 HydrophobicContact CG1-CD1 4.05Å; L829-L833 HydrophobicContact CD1-CD1 4.16Å; L829-L833 HydrophobicContact CD1-CG 4.22Å; L829-L833 HydrophobicContact CD2-CD1 4.47Å; L829-L833 HydrophobicContact CG-CD1 3.87Å; L829-L833 HydrophobicContact CG-CG 4.38Å; L829-L833 WeakPolarHBondContact O-CB 3.23Å; L829-L833 VanDerWaalsContact O-CG 3.3Å; L829-L833 WeakPolarHBondContact O-CG 3.22Å; L829-L833 PolarHBondContact O-N 3.36Å; I830-L833 PolarHBondContact O-N 2.68Å; L833-Q835 PolarHBondContact O-N 3.28Å; L833-R841 WeakPolarHBondContact O-CD 3.46Å; L833-R841 WeakPolarHBondContact O-CG 3.39Å; L833-R841 PolarHBondContact O-NE 3.34Å
834	L	96.1	Very high	95.6	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	27%	0.272	C	S	.	.	S	Bend	trans	-87.8	32.7	178.9	-60.7	-175.4	0	0	0	113.1	W781 V785 P796 A810 F812 I830	W781-L834 HydrophobicContact CD2-CD2 3.81Å; W781-L834 HydrophobicContact CE3-CB 4.39Å; W781-L834 HydrophobicContact CE3-CD2 4.07Å; W781-L834 HydrophobicContact CG-CD2 4.19Å; W781-L834 HydrophobicContact CZ2-CD2 4.37Å; W781-L834 VanDerWaalsContact CZ3-C 3.42Å; W781-L834 HydrophobicContact CZ3-CB 4.2Å; W781-L834 HydrophobicContact CZ3-CD2 4.46Å; W781-L834 VanDerWaalsContact CZ3-O 3.23Å; W781-L834 WeakPolarHBondContact CZ3-O 3.4Å; V785-L834 HydrophobicContact CG2-CD2 3.86Å; P796-L834 HydrophobicContact CB-CD1 4.4Å; A810-L834 WeakPolarHBondContact CB-O 3.44Å; F812-L834 HydrophobicContact CD1-CB 4.4Å; F812-L834 HydrophobicContact CD1-CD1 3.94Å; F812-L834 HydrophobicContact CD2-CD1 4.37Å; F812-L834 HydrophobicContact CE1-CB 3.52Å; F812-L834 HydrophobicContact CE1-CD1 3.66Å; F812-L834 HydrophobicContact CE1-CG 4.24Å; F812-L834 HydrophobicContact CE2-CD1 4.11Å; F812-L834 HydrophobicContact CG-CD1 4.31Å; F812-L834 HydrophobicContact CZ-CB 3.86Å; F812-L834 HydrophobicContact CZ-CD1 3.76Å; F812-L834 HydrophobicContact CZ-CG 4.38Å; I830-L834 HydrophobicContact CG2-CD1 3.64Å; I830-L834 HydrophobicContact CG2-CG 4.08Å; I830-L834 WeakPolarHBondContact O-CB 3.35Å; I830-L834 PolarHBondContact O-N 3.13Å
835	Q	94.7	Very high	95.5	Very high	55 Å²	55	57.4 Å²	57.4	26%	0.257	27%	0.27	S	S	.	.			trans	-75.7	124.3	175.8	-74.2	-65.3	-52.7	0	0	112.5	N831 L833 K837 K840 R841	N831-Q835 WeakPolarHBondContact O-CG 3.47Å; N831-Q835 PolarHBondContact O-NE2 2.7Å; L833-Q835 PolarHBondContact O-N 3.28Å; Q835-K837 VanDerWaalsContact C-N 3.32Å; Q835-K837 PolarHBondContact O-N 3.22Å; Q835-K840 HydrophobicContact CB-CB 4.25Å; Q835-K840 HydrophobicContact CG-CB 4.08Å; Q835-R841 HydrophobicContact CB-CB 3.96Å; Q835-R841 HydrophobicContact CB-CG 4.28Å; Q835-R841 PolarHBondContact O-NE 2.96Å; Q835-R841 PolarHBondContact O-NH2 2.97Å
836	V	90.8	Very high	95.5	Very high	40 Å²	40	58.9 Å²	58.9	24%	0.242	28%	0.275	C	S	.	.	S	Bend	trans	-63.1	-36.1	174.2	-175.5	0	0	0	0	112.5	P766 Q808 A810 M838	P766-V836 HydrophobicContact CB-CG1 4.3Å; P766-V836 HydrophobicContact CG-CG1 4.47Å; Q808-V836 VanDerWaalsContact O-CG1 3.25Å; Q808-V836 WeakPolarHBondContact O-CG1 3.29Å; A810-V836 HydrophobicContact CB-CG2 3.41Å; A810-V836 VanDerWaalsContact CB-CG2 3.41Å; V836-M838 PolarHBondContact O-N 3.25Å
837	K	88.7	Confident	95.5	Very high	154 Å²	154	58.9 Å²	58.9	67%	0.67	28%	0.275	S	S	*	.	S	Bend	trans	-87.2	104	177.4	-70.5	-178.5	178.8	178.1	0	108.6	Q835 R839 K840 R841	Q835-K837 VanDerWaalsContact C-N 3.32Å; Q835-K837 PolarHBondContact O-N 3.22Å; K837-R839 PolarHBondContact O-N 3.37Å; K837-K840 HydrophobicContact CB-CB 4.39Å; K837-K840 HydrophobicContact CB-CG 4.38Å; K837-K840 WeakPolarHBondContact O-CA 3.26Å; K837-K840 WeakPolarHBondContact O-CB 3.41Å; K837-K840 PolarHBondContact O-N 2.86Å; K837-R841 PolarHBondContact O-N 3.47Å
838	M	87.6	Confident	95.4	Very high	73 Å²	73	58.4 Å²	58.4	36%	0.36	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-46.2	-38.3	-178.7	-62	174.3	-65.1	0	0	114.3	E767 N775 V836 K840 R841	E767-M838 HydrophobicContact CB-SD 3.74Å; E767-M838 HydrophobicContact CG-CG 4.34Å; E767-M838 HydrophobicContact CG-SD 3.66Å; N775-M838 PolarHBondContact ND2-SD 2.87Å; N775-M838 VanDerWaalsContact ND2-SD 3.36Å; V836-M838 PolarHBondContact O-N 3.25Å; M838-K840 VanDerWaalsContact C-N 3.27Å; M838-K840 PolarHBondContact O-N 2.66Å; M838-R841 WeakPolarHBondContact O-CB 3.38Å; M838-R841 PolarHBondContact O-N 3.35Å; M838-R841 VanDerWaalsContact O-N 3.12Å
839	R	87.6	Confident	95.4	Very high	255 Å²	255	59.3 Å²	59.3	96%	0.962	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-67.3	-18.9	176.7	-66.8	-175.9	-177.7	166.7	-1.1	115	K837	K837-R839 PolarHBondContact O-N 3.37Å
840	K	93.1	Very high	95.4	Very high	137 Å²	137	59.9 Å²	59.9	60%	0.596	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-91.6	-20.6	171.4	-73.4	-161.3	166.9	-156.7	0	112.5	Q835 K837 M838	Q835-K840 HydrophobicContact CB-CB 4.25Å; Q835-K840 HydrophobicContact CG-CB 4.08Å; K837-K840 HydrophobicContact CB-CB 4.39Å; K837-K840 HydrophobicContact CB-CG 4.38Å; K837-K840 WeakPolarHBondContact O-CA 3.26Å; K837-K840 WeakPolarHBondContact O-CB 3.41Å; K837-K840 PolarHBondContact O-N 2.86Å; M838-K840 VanDerWaalsContact C-N 3.27Å; M838-K840 PolarHBondContact O-N 2.66Å
841	R	95.9	Very high	95.3	Very high	14 Å²	14	64 Å²	64	5%	0.053	31%	0.312	C	S	.	.	S	Bend	trans	-66.8	141	179.4	-158.3	177.6	-58.7	148.4	6.4	109.9	E767 S777 N832 L833 Q835 K837 M838	E767-R841 IonicContact OE1-CZ 2.78Å; E767-R841 IonicContact OE1-NH1 2.68Å; E767-R841 PolarHBondContact OE1-NH1 3.37Å; E767-R841 IonicContact OE1-NH2 2.75Å; E767-R841 PolarHBondContact OE1-NH2 3.41Å; E767-R841 IonicContact OE2-CZ 3.29Å; E767-R841 IonicContact OE2-NH1 3.87Å; E767-R841 IonicContact OE2-NH2 2.83Å; E767-R841 PolarHBondContact OE2-NH2 2.96Å; S777-R841 VanDerWaalsContact C-NH1 3.3Å; S777-R841 WeakPolarHBondContact O-CD 3.32Å; S777-R841 PolarHBondContact O-NH1 3.37Å; S777-R841 PolarHBondContact OG-NH1 3.27Å; N832-R841 WeakPolarHBondContact O-CA 3Å; L833-R841 WeakPolarHBondContact O-CD 3.46Å; L833-R841 WeakPolarHBondContact O-CG 3.39Å; L833-R841 PolarHBondContact O-NE 3.34Å; Q835-R841 HydrophobicContact CB-CB 3.96Å; Q835-R841 HydrophobicContact CB-CG 4.28Å; Q835-R841 PolarHBondContact O-NE 2.96Å; Q835-R841 PolarHBondContact O-NH2 2.97Å; K837-R841 PolarHBondContact O-N 3.47Å; M838-R841 WeakPolarHBondContact O-CB 3.38Å; M838-R841 PolarHBondContact O-N 3.35Å; M838-R841 VanDerWaalsContact O-N 3.12Å
842	Y	97.7	Very high	95.3	Very high	51 Å²	51	61.4 Å²	61.4	20%	0.2	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-67.1	143.6	177.6	-85.4	30.4	0	0	0	111.8	M780 L829 N832 K846 H850	M780-Y842 WeakPolarHBondContact CG-O 3.43Å; L829-Y842 HydrophobicContact CD1-CD2 4.3Å; N832-Y842 HydrophobicContact CB-CD1 3.62Å; N832-Y842 HydrophobicContact CB-CD2 4.24Å; N832-Y842 HydrophobicContact CB-CE1 3.55Å; N832-Y842 HydrophobicContact CB-CE2 4.22Å; N832-Y842 HydrophobicContact CB-CG 3.96Å; N832-Y842 PolarHBondContact O-N 2.92Å; N832-Y842 VanDerWaalsContact O-N 3.15Å; N832-Y842 WeakPolarHBondContact OD1-CE1 3.35Å; Y842-K846 HydrophobicContact CD1-CB 4.47Å; Y842-K846 HydrophobicContact CD1-CD 4.35Å; Y842-K846 HydrophobicContact CD2-CB 3.57Å; Y842-K846 WeakPolarHBondContact CD2-O 3.27Å; Y842-K846 HydrophobicContact CE2-CB 4.09Å; Y842-K846 HydrophobicContact CG-CB 3.78Å; Y842-K846 HydrophobicContact CG-CD 4.43Å; Y842-H850 AromaticContact CE2-CD2 3.97Å
843	S	96.6	Very high	95.3	Very high	49 Å²	49	60.4 Å²	60.4	34%	0.343	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-80	171.9	163.8	66.5	0	0	0	0	110.2	D845 K846 C847	S843-D845 VanDerWaalsContact C-N 3.26Å; S843-D845 PolarHBondContact O-N 3.19Å; S843-D845 PolarHBondContact OG-OD2 3.46Å; S843-K846 PolarHBondContact O-N 3.21Å; S843-K846 PolarHBondContact OG-N 3.44Å; S843-C847 WeakPolarHBondContact O-CB 3.44Å; S843-C847 PolarHBondContact O-N 3.19Å
844	V	97.6	Very high	95.2	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.018	31%	0.306	C	S	.	.	H	α-helix	trans	-51.4	-47.5	173.3	177.3	0	0	0	0	111.3	L705 L708 R709 M780 C847 L848	L705-V844 HydrophobicContact CB-CG1 4.25Å; L705-V844 HydrophobicContact CD2-CG1 4.38Å; L705-V844 WeakPolarHBondContact O-CG1 3.39Å; L708-V844 HydrophobicContact CB-CG2 3.93Å; R709-V844 HydrophobicContact CB-CG1 3.79Å; R709-V844 HydrophobicContact CG-CG1 4.3Å; M780-V844 HydrophobicContact CE-CG2 4.44Å; M780-V844 HydrophobicContact SD-CB 4.34Å; M780-V844 HydrophobicContact SD-CG2 3.49Å; M780-V844 WeakPolarHBondContact SD-CG2 3.11Å; V844-C847 VanDerWaalsContact O-CB 3.31Å; V844-C847 WeakPolarHBondContact O-CB 3.29Å; V844-C847 PolarHBondContact O-N 2.84Å; V844-C847 VanDerWaalsContact O-N 3.17Å; V844-L848 HydrophobicContact CG1-CD1 3.92Å; V844-L848 HydrophobicContact CG1-CG 4.42Å; V844-L848 WeakPolarHBondContact O-CG 3.19Å; V844-L848 PolarHBondContact O-N 3.31Å
845	D	96.3	Very high	95	Very high	90 Å²	90	65.2 Å²	65.2	48%	0.481	32%	0.316	S	S	.	.	H	α-helix	trans	-68.2	-43.3	-174.4	-31.9	-84.1	0	0	0	111.3	S843 C847 L848 S849	S843-D845 VanDerWaalsContact C-N 3.26Å; S843-D845 PolarHBondContact O-N 3.19Å; S843-D845 PolarHBondContact OG-OD2 3.46Å; D845-C847 VanDerWaalsContact C-N 3.26Å; D845-C847 PolarHBondContact O-N 2.92Å; D845-L848 PolarHBondContact O-N 3.34Å; D845-S849 PolarHBondContact O-N 2.88Å; D845-S849 PolarHBondContact O-OG 3.33Å
846	K	97.6	Very high	95.1	Very high	128 Å²	128	63.6 Å²	63.6	56%	0.557	31%	0.308	S	S	*	.	H	α-helix	trans	-62.9	-33.1	172.9	-70.8	-168.8	172.6	-166.5	0	112.9	Y842 S843 H850	Y842-K846 HydrophobicContact CD1-CB 4.47Å; Y842-K846 HydrophobicContact CD1-CD 4.35Å; Y842-K846 HydrophobicContact CD2-CB 3.57Å; Y842-K846 WeakPolarHBondContact CD2-O 3.27Å; Y842-K846 HydrophobicContact CE2-CB 4.09Å; Y842-K846 HydrophobicContact CG-CB 3.78Å; Y842-K846 HydrophobicContact CG-CD 4.43Å; S843-K846 PolarHBondContact O-N 3.21Å; S843-K846 PolarHBondContact OG-N 3.44Å; K846-H850 PolarHBondContact O-N 3.1Å
847	C	98	Very high	95.3	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-69.8	-47.5	176.6	-164	0	0	0	0	110.7	L705 M780 S843 V844 D845 S849 H850	L705-C847 HydrophobicContact CD1-CB 4.02Å; L705-C847 WeakPolarHBondContact CD1-SG 3.12Å; L705-C847 HydrophobicContact CD2-CB 3.85Å; M780-C847 HydrophobicContact CE-CB 3.79Å; S843-C847 WeakPolarHBondContact O-CB 3.44Å; S843-C847 PolarHBondContact O-N 3.19Å; V844-C847 VanDerWaalsContact O-CB 3.31Å; V844-C847 WeakPolarHBondContact O-CB 3.29Å; V844-C847 PolarHBondContact O-N 2.84Å; V844-C847 VanDerWaalsContact O-N 3.17Å; D845-C847 VanDerWaalsContact C-N 3.26Å; D845-C847 PolarHBondContact O-N 2.92Å; C847-S849 VanDerWaalsContact C-N 3.33Å; C847-S849 PolarHBondContact O-N 3.39Å; C847-H850 VanDerWaalsContact O-CB 3.22Å; C847-H850 WeakPolarHBondContact O-CB 3.29Å; C847-H850 PolarHBondContact O-N 3.26Å; C847-H850 VanDerWaalsContact O-N 3.11Å
848	L	97.3	Very high	95.7	Very high	20 Å²	20	57.9 Å²	57.9	11%	0.105	28%	0.281	C	S	.	.	H	α-helix	trans	-59.6	-40.6	175.4	-72.7	170.3	0	0	0	112.1	T702 L705 V706 V844 D845 H850 Q854	T702-L848 HydrophobicContact CG2-CD2 3.96Å; L705-L848 HydrophobicContact CB-CD2 3.64Å; L705-L848 HydrophobicContact CB-CG 3.96Å; L705-L848 HydrophobicContact CD1-CD2 4.01Å; L705-L848 HydrophobicContact CD1-CG 4.32Å; L705-L848 HydrophobicContact CG-CD2 4.49Å; V706-L848 HydrophobicContact CG2-CD1 4.4Å; V706-L848 HydrophobicContact CG2-CD2 4.27Å; V844-L848 HydrophobicContact CG1-CD1 3.92Å; V844-L848 HydrophobicContact CG1-CG 4.42Å; V844-L848 WeakPolarHBondContact O-CG 3.19Å; V844-L848 PolarHBondContact O-N 3.31Å; D845-L848 PolarHBondContact O-N 3.34Å; L848-H850 VanDerWaalsContact C-N 3.25Å; L848-H850 PolarHBondContact O-N 3.45Å; L848-Q854 WeakPolarHBondContact O-CG 3.34Å; L848-Q854 PolarHBondContact O-NE2 2.81Å
849	S	96.8	Very high	96	Very high	90 Å²	90	54.9 Å²	54.9	63%	0.629	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	1.9	176.6	-57	0	0	0	0	115	D845 C847	D845-S849 PolarHBondContact O-N 2.88Å; D845-S849 PolarHBondContact O-OG 3.33Å; C847-S849 VanDerWaalsContact C-N 3.33Å; C847-S849 PolarHBondContact O-N 3.39Å
850	H	98.3	Very high	96.4	Very high	11 Å²	11	43.8 Å²	43.8	5%	0.051	23%	0.226	C	C	.	.	S	Bend	trans	-74.4	138.8	-178.3	-173.5	-94.3	0	0	0	111.5	E825 D828 L829 Y842 K846 C847 L848 W852 L853 Q854	E825-H850 PolarHBondContact O-CE1 2.84Å; E825-H850 VanDerWaalsContact O-CE1 3.25Å; D828-H850 IonicContact OD2-NE2 3.25Å; D828-H850 PolarHBondContact OD2-NE2 2.8Å; L829-H850 HydrophobicContact CD1-CB 3.91Å; Y842-H850 AromaticContact CE2-CD2 3.97Å; K846-H850 PolarHBondContact O-N 3.1Å; C847-H850 VanDerWaalsContact O-CB 3.22Å; C847-H850 WeakPolarHBondContact O-CB 3.29Å; C847-H850 PolarHBondContact O-N 3.26Å; C847-H850 VanDerWaalsContact O-N 3.11Å; L848-H850 VanDerWaalsContact C-N 3.25Å; L848-H850 PolarHBondContact O-N 3.45Å; H850-W852 VanDerWaalsContact ND1-CB 3.33Å; H850-W852 WeakPolarHBondContact ND1-CB 3.44Å; H850-W852 PolarHBondContact ND1-N 2.82Å; H850-W852 VanDerWaalsContact ND1-N 3.17Å; H850-W852 PolarHBondContact O-N 2.84Å; H850-L853 PolarHBondContact O-N 2.87Å; H850-Q854 WeakPolarHBondContact O-CG 3.49Å; H850-Q854 PolarHBondContact O-N 3.17Å
851	P	97.3	Very high	96.6	Very high	87 Å²	87	37.6 Å²	37.6	57%	0.565	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-49.8	-33.6	-178.7	-31.8	37.1	0	0	0	115.1	L853 Q854	P851-L853 VanDerWaalsContact C-N 3.25Å; P851-L853 PolarHBondContact O-N 3.46Å; P851-Q854 PolarHBondContact O-N 2.96Å; P851-Q854 VanDerWaalsContact O-N 3.13Å
852	W	98.2	Very high	96.6	Very high	2 Å²	2	37.3 Å²	37.3	1%	0.008	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-58.9	-30.9	176.1	-169.9	66.4	0	0	0	114.3	E694 T697 K698 V701 V787 L791 S823 E825 A826 L829 H850	E694-W852 HydrophobicContact CG-CZ2 4.36Å; E694-W852 PolarHBondContact OE2-NE1 2.87Å; T697-W852 HydrophobicContact CG2-CH2 3.96Å; K698-W852 WeakPolarHBondContact CD-O 3.26Å; K698-W852 WeakPolarHBondContact CE-O 3.32Å; K698-W852 HydrophobicContact CG-CD2 3.98Å; K698-W852 HydrophobicContact CG-CE3 4.14Å; K698-W852 HydrophobicContact CG-CH2 3.87Å; K698-W852 HydrophobicContact CG-CZ2 3.64Å; K698-W852 HydrophobicContact CG-CZ3 4.11Å; K698-W852 PolarHBondContact NZ-O 3.34Å; V701-W852 HydrophobicContact CG1-CZ3 4.48Å; V787-W852 HydrophobicContact CG1-CH2 3.83Å; V787-W852 HydrophobicContact CG1-CZ3 4.09Å; V787-W852 HydrophobicContact CG2-CZ3 4.47Å; L791-W852 HydrophobicContact CD1-CH2 4.35Å; L791-W852 HydrophobicContact CD1-CZ2 3.89Å; L791-W852 HydrophobicContact CD2-CZ2 4.36Å; S823-W852 PolarHBondContact OG-NE1 3.21Å; E825-W852 HydrophobicContact CB-CB 3.96Å; E825-W852 HydrophobicContact CB-CG 4.35Å; A826-W852 HydrophobicContact CB-CD2 4.43Å; A826-W852 HydrophobicContact CB-CG 4.46Å; A826-W852 HydrophobicContact CB-CZ2 4.24Å; L829-W852 HydrophobicContact CD2-CD2 4.36Å; L829-W852 HydrophobicContact CD2-CE3 3.48Å; L829-W852 VanDerWaalsContact CD2-CE3 3.48Å; L829-W852 HydrophobicContact CD2-CZ3 4.09Å; H850-W852 VanDerWaalsContact ND1-CB 3.33Å; H850-W852 WeakPolarHBondContact ND1-CB 3.44Å; H850-W852 PolarHBondContact ND1-N 2.82Å; H850-W852 VanDerWaalsContact ND1-N 3.17Å; H850-W852 PolarHBondContact O-N 2.84Å
853	L	97.4	Very high	96.4	Very high	8 Å²	8	35 Å²	35	4%	0.042	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-100.1	-5.8	176.8	-62.2	-177.2	0	0	0	113.2	K698 V701 L705 L829 H850 P851	K698-L853 HydrophobicContact CB-CD2 3.87Å; K698-L853 HydrophobicContact CG-CD2 4.04Å; V701-L853 HydrophobicContact CG1-CD1 4.36Å; L705-L853 HydrophobicContact CD1-CD1 3.45Å; L705-L853 VanDerWaalsContact CD1-CD1 3.45Å; L829-L853 HydrophobicContact CD2-CG 4.49Å; H850-L853 PolarHBondContact O-N 2.87Å; P851-L853 VanDerWaalsContact C-N 3.25Å; P851-L853 PolarHBondContact O-N 3.46Å
854	Q	94.9	Very high	96.3	Very high	62 Å²	62	35.6 Å²	35.6	29%	0.29	19%	0.189	S	C	.	.			trans	-108.3	61.2	-173.1	-67.3	-65.6	-45.8	0	0	110.4	L848 H850 P851 R882 W883	L848-Q854 WeakPolarHBondContact O-CG 3.34Å; L848-Q854 PolarHBondContact O-NE2 2.81Å; H850-Q854 WeakPolarHBondContact O-CG 3.49Å; H850-Q854 PolarHBondContact O-N 3.17Å; P851-Q854 PolarHBondContact O-N 2.96Å; P851-Q854 VanDerWaalsContact O-N 3.13Å; Q854-R882 VanDerWaalsContact OE1-CZ 3.28Å; Q854-W883 WeakPolarHBondContact O-CH2 3.2Å
855	D	93.6	Very high	96.1	Very high	41 Å²	41	35.9 Å²	35.9	22%	0.219	19%	0.19	C	C	.	.			trans	-125.5	153.6	174.5	81.7	76.6	0	0	0	112.3	K698 Q857 T858 W859	K698-D855 WeakPolarHBondContact CD-OD2 3.22Å; K698-D855 IonicContact NZ-OD2 3.22Å; K698-D855 PolarHBondContact NZ-OD2 3.18Å; D855-Q857 VanDerWaalsContact C-N 3.34Å; D855-Q857 PolarHBondContact O-N 2.9Å; D855-Q857 WeakPolarHBondContact OD1-CA 3.37Å; D855-Q857 WeakPolarHBondContact OD1-CB 3.21Å; D855-Q857 PolarHBondContact OD1-N 3.28Å; D855-T858 PolarHBondContact O-N 3.39Å; D855-T858 PolarHBondContact OD1-N 2.9Å; D855-T858 PolarHBondContact OD1-OG1 3.45Å; D855-T858 WeakPolarHBondContact OD2-CB 3.46Å; D855-T858 PolarHBondContact OD2-OG1 3.04Å; D855-W859 PolarHBondContact O-N 3.33Å
856	Y	95.2	Very high	96	Very high	21 Å²	21	31.7 Å²	31.7	8%	0.082	17%	0.167	C	C	.	.	H	α-helix	trans	-58.6	-39	-175	-173.7	-114.3	0	0	0	113.5	W859 L860 W883 Y886 A887 L892 P893 Y894	Y856-W859 AromaticContact CD2-CE3 3.79Å; Y856-W859 HydrophobicContact CD2-CE3 3.79Å; Y856-W859 HydrophobicContact CD2-CZ3 4.02Å; Y856-W859 AromaticContact CE2-CE3 3.67Å; Y856-W859 HydrophobicContact CE2-CE3 3.67Å; Y856-W859 HydrophobicContact CE2-CH2 4.46Å; Y856-W859 AromaticContact CE2-CZ3 3.38Å; Y856-W859 HydrophobicContact CE2-CZ3 3.38Å; Y856-W859 AromaticContact CZ-CZ3 3.97Å; Y856-W859 PolarHBondContact O-N 3.27Å; Y856-L860 HydrophobicContact CD1-CD1 3.87Å; Y856-L860 HydrophobicContact CD1-CG 4.37Å; Y856-L860 HydrophobicContact CE1-CD1 3.59Å; Y856-L860 HydrophobicContact CE1-CD2 4.48Å; Y856-L860 HydrophobicContact CE1-CG 4.11Å; Y856-L860 WeakPolarHBondContact O-CG 3.42Å; Y856-L860 PolarHBondContact O-N 2.99Å; Y856-W883 HydrophobicContact CD2-CB 3.92Å; Y856-W883 HydrophobicContact CD2-CD2 4.03Å; Y856-W883 AromaticContact CD2-CE3 3.67Å; Y856-W883 HydrophobicContact CD2-CE3 3.67Å; Y856-W883 HydrophobicContact CD2-CG 4.17Å; Y856-W883 HydrophobicContact CE2-CB 3.99Å; Y856-W883 WeakPolarHBondContact CE2-O 3.47Å; Y856-W883 HydrophobicContact CG-CE3 4.28Å; Y856-Y886 HydrophobicContact CD2-CD1 4.01Å; Y856-Y886 HydrophobicContact CG-CD1 4.12Å; Y856-Y886 HydrophobicContact CG-CE1 4.16Å; Y856-A887 HydrophobicContact CE2-CB 3.98Å; Y856-L892 HydrophobicContact CD1-CD1 3.82Å; Y856-L892 HydrophobicContact CE1-CB 4.03Å; Y856-L892 HydrophobicContact CE1-CD1 4.06Å; Y856-L892 HydrophobicContact CG-CD1 4.41Å; Y856-P893 PolarHBondContact OH-O 2.85Å; Y856-Y894 WeakPolarHBondContact OH-CA 3.4Å
857	Q	95.6	Very high	95.8	Very high	71 Å²	71	26.8 Å²	26.8	33%	0.332	15%	0.148	S	C	.	.	H	α-helix	trans	-71.5	-36.6	180	-178.1	63.5	92.7	0	0	111.5	R695 D855 L860 D861	R695-Q857 HydrophobicContact CG-CG 4.44Å; R695-Q857 VanDerWaalsContact CZ-CD 3.45Å; D855-Q857 VanDerWaalsContact C-N 3.34Å; D855-Q857 PolarHBondContact O-N 2.9Å; D855-Q857 WeakPolarHBondContact OD1-CA 3.37Å; D855-Q857 WeakPolarHBondContact OD1-CB 3.21Å; D855-Q857 PolarHBondContact OD1-N 3.28Å; Q857-L860 PolarHBondContact O-N 2.84Å; Q857-D861 PolarHBondContact NE2-OD1 2.87Å; Q857-D861 PolarHBondContact O-N 2.93Å
858	T	96.2	Very high	95.5	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	17%	0.173	C	C	.	.	H	α-helix	trans	-65.5	-39.8	173.2	-62.5	0	0	0	0	111.3	K698 D855 L862	K698-T858 HydrophobicContact CB-CG2 4.13Å; K698-T858 WeakPolarHBondContact CD-OG1 3.42Å; D855-T858 PolarHBondContact O-N 3.39Å; D855-T858 PolarHBondContact OD1-N 2.9Å; D855-T858 PolarHBondContact OD1-OG1 3.45Å; D855-T858 WeakPolarHBondContact OD2-CB 3.46Å; D855-T858 PolarHBondContact OD2-OG1 3.04Å; T858-L862 HydrophobicContact CG2-CD1 4.06Å; T858-L862 WeakPolarHBondContact O-CD1 3.01Å; T858-L862 WeakPolarHBondContact O-CG 3.35Å; T858-L862 PolarHBondContact O-N 3Å
859	W	95.8	Very high	95.1	Very high	9 Å²	9	37.2 Å²	37.2	3%	0.034	19%	0.186	C	C	.	.	H	α-helix	trans	-63.5	-48.2	172.5	167.1	82.4	0	0	0	111.9	D855 Y856 D861 L862 R863 D880 W883 Y894 F898	D855-W859 PolarHBondContact O-N 3.33Å; Y856-W859 AromaticContact CD2-CE3 3.79Å; Y856-W859 HydrophobicContact CD2-CE3 3.79Å; Y856-W859 HydrophobicContact CD2-CZ3 4.02Å; Y856-W859 AromaticContact CE2-CE3 3.67Å; Y856-W859 HydrophobicContact CE2-CE3 3.67Å; Y856-W859 HydrophobicContact CE2-CH2 4.46Å; Y856-W859 AromaticContact CE2-CZ3 3.38Å; Y856-W859 HydrophobicContact CE2-CZ3 3.38Å; Y856-W859 AromaticContact CZ-CZ3 3.97Å; Y856-W859 PolarHBondContact O-N 3.27Å; W859-D861 PolarHBondContact O-N 3.39Å; W859-L862 PolarHBondContact O-N 2.95Å; W859-L862 VanDerWaalsContact O-N 3.1Å; W859-R863 HydrophobicContact CD2-CG 4.04Å; W859-R863 VanDerWaalsContact CE2-CG 3.49Å; W859-R863 HydrophobicContact CG-CG 4.18Å; W859-R863 HydrophobicContact CZ2-CG 3.9Å; W859-R863 VanDerWaalsContact NE1-CG 3.31Å; W859-R863 WeakPolarHBondContact O-CG 3.38Å; W859-R863 PolarHBondContact O-N 3.13Å; W859-D880 HydrophobicContact CZ2-CB 4.32Å; W859-D880 WeakPolarHBondContact CZ2-OD1 3.27Å; W859-D880 PolarHBondContact NE1-OD1 3.23Å; W859-W883 HydrophobicContact CB-CD2 4.5Å; W859-W883 HydrophobicContact CB-CG 4.23Å; W859-W883 AromaticContact CD1-CD1 3.33Å; W859-W883 AromaticContact CD1-NE1 3.82Å; W859-W883 HydrophobicContact CD2-CB 3.71Å; W859-W883 AromaticContact CD2-CD1 3.43Å; W859-W883 VanDerWaalsContact CD2-CD1 3.43Å; W859-W883 AromaticContact CD2-CG 3.68Å; W859-W883 HydrophobicContact CD2-CG 3.68Å; W859-W883 AromaticContact CE2-CD1 3.77Å; W859-W883 HydrophobicContact CE3-CB 3.66Å; W859-W883 AromaticContact CE3-CG 3.93Å; W859-W883 HydrophobicContact CE3-CG 3.93Å; W859-W883 HydrophobicContact CG-CB 4.38Å; W859-W883 AromaticContact CG-CD1 3.16Å; W859-W883 AromaticContact CG-CG 3.83Å; W859-W883 HydrophobicContact CG-CG 3.83Å; W859-W883 AromaticContact CG-NE1 3.58Å; W859-W883 HydrophobicContact CH2-CB 4.05Å; W859-W883 HydrophobicContact CZ2-CB 4.06Å; W859-W883 HydrophobicContact CZ3-CB 3.84Å; W859-W883 AromaticContact NE1-CD1 3.65Å; W859-Y894 AromaticContact CH2-CD2 3.82Å; W859-Y894 HydrophobicContact CH2-CD2 3.82Å; W859-Y894 AromaticContact CH2-CE2 3.29Å; W859-Y894 HydrophobicContact CH2-CE2 3.29Å; W859-Y894 AromaticContact CZ2-CE2 3.97Å; W859-Y894 HydrophobicContact CZ2-CE2 3.97Å; W859-Y894 HydrophobicContact CZ3-CD2 4.28Å; W859-Y894 HydrophobicContact CZ3-CE2 4.14Å; W859-F898 HydrophobicContact CH2-CD2 4.06Å; W859-F898 AromaticContact CH2-CE2 3.54Å; W859-F898 HydrophobicContact CH2-CE2 3.54Å; W859-F898 HydrophobicContact CZ2-CD2 4.16Å; W859-F898 AromaticContact CZ2-CE2 3.96Å; W859-F898 HydrophobicContact CZ2-CE2 3.96Å; W859-F898 HydrophobicContact CZ3-CE2 4.07Å
860	L	95.8	Very high	94.7	Very high	23 Å²	23	35.4 Å²	35.4	12%	0.12	18%	0.181	C	C	.	.	H	α-helix	trans	-52.3	-50.8	175.9	-76.1	175.6	0	0	0	112.1	Y856 Q857 L862 R863 D864 P895 F898	Y856-L860 HydrophobicContact CD1-CD1 3.87Å; Y856-L860 HydrophobicContact CD1-CG 4.37Å; Y856-L860 HydrophobicContact CE1-CD1 3.59Å; Y856-L860 HydrophobicContact CE1-CD2 4.48Å; Y856-L860 HydrophobicContact CE1-CG 4.11Å; Y856-L860 WeakPolarHBondContact O-CG 3.42Å; Y856-L860 PolarHBondContact O-N 2.99Å; Q857-L860 PolarHBondContact O-N 2.84Å; L860-L862 PolarHBondContact O-N 2.93Å; L860-R863 PolarHBondContact O-N 2.82Å; L860-D864 WeakPolarHBondContact O-CB 3.49Å; L860-D864 PolarHBondContact O-N 3.3Å; L860-P895 HydrophobicContact CD2-CG 3.55Å; L860-F898 HydrophobicContact CD2-CE2 4.09Å; L860-F898 HydrophobicContact CD2-CZ 3.84Å
861	D	96.4	Very high	94.3	Very high	6 Å²	6	38.1 Å²	38.1	3%	0.032	19%	0.194	C	C	.	.	H	α-helix	trans	-58.6	-35.5	-179.1	-68.6	-8.5	0	0	0	112.1	R695 F699 F734 Q857 W859 F865	R695-D861 WeakPolarHBondContact CD-OD2 3.32Å; R695-D861 WeakPolarHBondContact CG-OD2 3.23Å; R695-D861 IonicContact CZ-OD1 2.66Å; R695-D861 IonicContact CZ-OD2 3.7Å; R695-D861 IonicContact NE-OD1 3.32Å; R695-D861 PolarHBondContact NE-OD1 2.73Å; R695-D861 IonicContact NE-OD2 3.65Å; R695-D861 PolarHBondContact NE-OD2 3.14Å; R695-D861 IonicContact NH2-OD1 2.65Å; R695-D861 PolarHBondContact NH2-OD1 3.02Å; R695-D861 IonicContact NH2-OD2 3.23Å; F699-D861 HydrophobicContact CD2-CB 3.89Å; F699-D861 HydrophobicContact CE2-CB 4.46Å; F699-D861 WeakPolarHBondContact CE2-O 3.47Å; F734-D861 HydrophobicContact CD1-CB 4.28Å; F734-D861 HydrophobicContact CE1-CB 4.14Å; F734-D861 WeakPolarHBondContact CE1-OD2 3.38Å; Q857-D861 PolarHBondContact NE2-OD1 2.87Å; Q857-D861 PolarHBondContact O-N 2.93Å; W859-D861 PolarHBondContact O-N 3.39Å; D861-F865 WeakPolarHBondContact O-CB 3.44Å; D861-F865 PolarHBondContact O-N 3.34Å
862	L	96	Very high	94	Very high	8 Å²	8	35.6 Å²	35.6	4%	0.042	17%	0.173	C	C	.	.	H	α-helix	trans	-77.2	-40.3	179	-64.8	168.6	0	0	0	112	F699 T702 T858 W859 L860 F865 E866 I874 T875	F699-L862 HydrophobicContact CD2-CD2 3.42Å; F699-L862 VanDerWaalsContact CD2-CD2 3.42Å; F699-L862 HydrophobicContact CD2-CG 4.03Å; F699-L862 HydrophobicContact CE2-CD2 3.68Å; F699-L862 HydrophobicContact CE2-CG 4.45Å; F699-L862 HydrophobicContact CG-CD2 4.24Å; T702-L862 HydrophobicContact CG2-CD1 3.79Å; T858-L862 HydrophobicContact CG2-CD1 4.06Å; T858-L862 WeakPolarHBondContact O-CD1 3.01Å; T858-L862 WeakPolarHBondContact O-CG 3.35Å; T858-L862 PolarHBondContact O-N 3Å; W859-L862 PolarHBondContact O-N 2.95Å; W859-L862 VanDerWaalsContact O-N 3.1Å; L860-L862 PolarHBondContact O-N 2.93Å; L862-F865 PolarHBondContact O-N 2.79Å; L862-E866 WeakPolarHBondContact O-CG 3.46Å; L862-E866 PolarHBondContact O-N 3.46Å; L862-I874 HydrophobicContact CD1-CG2 4.21Å; L862-I874 HydrophobicContact CD2-CD1 4.08Å; L862-I874 HydrophobicContact CD2-CG2 4.11Å; L862-T875 HydrophobicContact CB-CG2 3.85Å
863	R	93.8	Very high	93.7	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.008	18%	0.179	C	C	.	.	H	α-helix	trans	-70.2	-37.6	176	-60.9	-57.6	-79.3	120.2	1.8	112.6	W859 L860 F865 E866 T867 R872 T875 D880 F898 I899	W859-R863 HydrophobicContact CD2-CG 4.04Å; W859-R863 VanDerWaalsContact CE2-CG 3.49Å; W859-R863 HydrophobicContact CG-CG 4.18Å; W859-R863 HydrophobicContact CZ2-CG 3.9Å; W859-R863 VanDerWaalsContact NE1-CG 3.31Å; W859-R863 WeakPolarHBondContact O-CG 3.38Å; W859-R863 PolarHBondContact O-N 3.13Å; L860-R863 PolarHBondContact O-N 2.82Å; R863-F865 VanDerWaalsContact C-N 3.29Å; R863-F865 PolarHBondContact O-N 3.07Å; R863-E866 WeakPolarHBondContact CD-OE2 3.37Å; R863-E866 IonicContact CZ-OE2 3.32Å; R863-E866 IonicContact NE-OE2 2.69Å; R863-E866 IonicContact NH1-OE2 3.09Å; R863-E866 PolarHBondContact NH1-OE2 3.22Å; R863-E866 PolarHBondContact O-N 3.2Å; R863-T867 WeakPolarHBondContact O-CB 3.43Å; R863-T867 PolarHBondContact O-N 2.67Å; R863-T867 PolarHBondContact O-OG1 2.66Å; R863-R872 VanDerWaalsContact CZ-CZ 3.48Å; R863-R872 VanDerWaalsContact NE-NH2 3.12Å; R863-T875 WeakPolarHBondContact CD-OG1 3.46Å; R863-T875 HydrophobicContact CG-CG2 4.44Å; R863-D880 WeakPolarHBondContact CD-OD1 3.29Å; R863-D880 IonicContact CZ-OD1 3.55Å; R863-D880 IonicContact CZ-OD2 2.69Å; R863-D880 IonicContact NE-OD1 3.68Å; R863-D880 PolarHBondContact NE-OD1 3.01Å; R863-D880 IonicContact NE-OD2 3.89Å; R863-D880 PolarHBondContact NE-OD2 3.16Å; R863-D880 IonicContact NH2-OD1 2.7Å; R863-D880 IonicContact NH2-OD2 3.22Å; R863-D880 PolarHBondContact NH2-OD2 2.91Å; R863-F898 HydrophobicContact CB-CD1 3.77Å; R863-F898 HydrophobicContact CB-CD2 3.82Å; R863-F898 HydrophobicContact CB-CE1 3.63Å; R863-F898 HydrophobicContact CB-CE2 3.67Å; R863-F898 HydrophobicContact CB-CG 3.86Å; R863-F898 HydrophobicContact CB-CZ 3.57Å; R863-F898 HydrophobicContact CG-CD2 4.25Å; R863-F898 HydrophobicContact CG-CE2 4.17Å; R863-F898 HydrophobicContact CG-CZ 4.49Å; R863-I899 PolarHBondContact NH2-O 3.16Å
864	D	94.1	Very high	93.6	Very high	62 Å²	62	37.1 Å²	37.1	33%	0.332	18%	0.18	S	C	.	.	H	α-helix	trans	-57.7	-43.9	169.2	-86.9	-23.4	0	0	0	110.6	L860 R868 H897 F898	L860-D864 WeakPolarHBondContact O-CB 3.49Å; L860-D864 PolarHBondContact O-N 3.3Å; D864-R868 WeakPolarHBondContact O-CB 3.38Å; D864-R868 VanDerWaalsContact O-CG 3.24Å; D864-R868 WeakPolarHBondContact O-CG 3.38Å; D864-R868 PolarHBondContact O-N 2.82Å; D864-H897 IonicContact OD1-CE1 3.97Å; D864-H897 IonicContact OD1-NE2 3.47Å; D864-F898 WeakPolarHBondContact OD1-CE1 3.19Å
865	F	94.8	Very high	93.5	Very high	9 Å²	9	34.9 Å²	34.9	4%	0.039	17%	0.17	C	C	.	.	H	α-helix	trans	-67.8	-46.7	178.5	167.6	-92.8	0	0	0	113.2	F699 Q736 D861 L862 R863 T867 R868 R869 Y873 I874	F699-F865 HydrophobicContact CE2-CB 3.8Å; F699-F865 HydrophobicContact CE2-CG 4.08Å; F699-F865 HydrophobicContact CZ-CB 3.96Å; F699-F865 HydrophobicContact CZ-CD1 4.45Å; F699-F865 AromaticContact CZ-CD2 3.82Å; F699-F865 HydrophobicContact CZ-CD2 3.82Å; F699-F865 HydrophobicContact CZ-CE2 4.44Å; F699-F865 AromaticContact CZ-CG 3.82Å; F699-F865 HydrophobicContact CZ-CG 3.82Å; Q736-F865 HydrophobicContact CB-CE2 3.83Å; Q736-F865 HydrophobicContact CB-CZ 3.64Å; Q736-F865 HydrophobicContact CG-CZ 4Å; D861-F865 WeakPolarHBondContact O-CB 3.44Å; D861-F865 PolarHBondContact O-N 3.34Å; L862-F865 PolarHBondContact O-N 2.79Å; R863-F865 VanDerWaalsContact C-N 3.29Å; R863-F865 PolarHBondContact O-N 3.07Å; F865-T867 VanDerWaalsContact C-N 3.32Å; F865-T867 PolarHBondContact O-N 3.08Å; F865-R868 PolarHBondContact O-N 3.06Å; F865-R869 HydrophobicContact CE2-CG 4.47Å; F865-R869 VanDerWaalsContact CZ-CD 3.4Å; F865-R869 HydrophobicContact CZ-CG 4.36Å; F865-R869 WeakPolarHBondContact O-CG 3.29Å; F865-R869 PolarHBondContact O-N 3Å; F865-R869 VanDerWaalsContact O-N 3.13Å; F865-Y873 AromaticContact CE1-CE1 3.9Å; F865-Y873 HydrophobicContact CE1-CE1 3.9Å; F865-Y873 AromaticContact CE1-CZ 3.96Å; F865-Y873 WeakPolarHBondContact CE1-OH 3.02Å; F865-I874 HydrophobicContact CD1-CD1 3.75Å; F865-I874 HydrophobicContact CE1-CD1 3.63Å
866	E	94	Very high	93.3	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	18%	0.184	C	C	.	.	H	α-helix	trans	-61.6	-41.1	175.4	-71.7	178.8	140.8	0	0	111.6	L862 R863 R869 G870 E871 R872 Y873 I874 T875	L862-E866 WeakPolarHBondContact O-CG 3.46Å; L862-E866 PolarHBondContact O-N 3.46Å; R863-E866 WeakPolarHBondContact CD-OE2 3.37Å; R863-E866 IonicContact CZ-OE2 3.32Å; R863-E866 IonicContact NE-OE2 2.69Å; R863-E866 IonicContact NH1-OE2 3.09Å; R863-E866 PolarHBondContact NH1-OE2 3.22Å; R863-E866 PolarHBondContact O-N 3.2Å; E866-R869 CarbonylContact O-C 3.36Å; E866-R869 WeakPolarHBondContact O-CB 3.33Å; E866-R869 PolarHBondContact O-N 3.49Å; E866-R869 VanDerWaalsContact O-N 3.12Å; E866-G870 PolarHBondContact O-N 2.9Å; E866-E871 WeakPolarHBondContact CB-O 3.47Å; E866-E871 PolarHBondContact O-N 2.84Å; E866-R872 WeakPolarHBondContact OE1-CG 3.42Å; E866-Y873 PolarHBondContact OE1-N 3.38Å; E866-I874 HydrophobicContact CG-CD1 4.5Å; E866-I874 WeakPolarHBondContact OE1-CA 3.26Å; E866-I874 WeakPolarHBondContact OE1-CB 3.47Å; E866-I874 PolarHBondContact OE1-N 3.01Å; E866-T875 PolarHBondContact OE1-N 2.83Å; E866-T875 PolarHBondContact OE2-OG1 3.44Å
867	T	92.1	Very high	92.9	Very high	26 Å²	26	41.1 Å²	41.1	16%	0.16	20%	0.199	C	C	.	.	H	α-helix	trans	-64.9	-43.6	177.3	-62.6	0	0	0	0	111.6	R863 F865 R869 G870 F898 I899	R863-T867 WeakPolarHBondContact O-CB 3.43Å; R863-T867 PolarHBondContact O-N 2.67Å; R863-T867 PolarHBondContact O-OG1 2.66Å; F865-T867 VanDerWaalsContact C-N 3.32Å; F865-T867 PolarHBondContact O-N 3.08Å; T867-R869 PolarHBondContact O-N 3.33Å; T867-G870 PolarHBondContact O-N 3.35Å; T867-F898 WeakPolarHBondContact OG1-CA 3.14Å; T867-I899 HydrophobicContact CG2-CD1 4.35Å; T867-I899 HydrophobicContact CG2-CG1 4.2Å; T867-I899 PolarHBondContact OG1-N 3.4Å
868	R	91.1	Very high	92.5	Very high	136 Å²	136	41 Å²	41	51%	0.513	21%	0.206	S	C	.	.	H	α-helix	trans	-63.5	-21.6	172.5	-74.7	-174.8	-57.5	134.5	-2	113.7	E732 F734 D864 F865	E732-R868 IonicContact OE1-NH1 3.48Å; E732-R868 IonicContact OE2-CZ 2.77Å; E732-R868 IonicContact OE2-NH1 3.11Å; E732-R868 PolarHBondContact OE2-NH1 2.91Å; E732-R868 IonicContact OE2-NH2 2.68Å; F734-R868 PolarHBondContact O-NH2 3.44Å; D864-R868 WeakPolarHBondContact O-CB 3.38Å; D864-R868 VanDerWaalsContact O-CG 3.24Å; D864-R868 WeakPolarHBondContact O-CG 3.38Å; D864-R868 PolarHBondContact O-N 2.82Å; F865-R868 PolarHBondContact O-N 3.06Å
869	R	89.1	Confident	92.3	Very high	103 Å²	103	42.4 Å²	42.4	39%	0.389	21%	0.213	S	C	.	.	H	α-helix	trans	-90.6	-23.5	175.8	-75.4	-173.6	61.8	79.7	-0	114.5	Q736 F865 E866 T867 E871	Q736-R869 VanDerWaalsContact CD-NH1 3.3Å; F865-R869 HydrophobicContact CE2-CG 4.47Å; F865-R869 VanDerWaalsContact CZ-CD 3.4Å; F865-R869 HydrophobicContact CZ-CG 4.36Å; F865-R869 WeakPolarHBondContact O-CG 3.29Å; F865-R869 PolarHBondContact O-N 3Å; F865-R869 VanDerWaalsContact O-N 3.13Å; E866-R869 CarbonylContact O-C 3.36Å; E866-R869 WeakPolarHBondContact O-CB 3.33Å; E866-R869 PolarHBondContact O-N 3.49Å; E866-R869 VanDerWaalsContact O-N 3.12Å; T867-R869 PolarHBondContact O-N 3.33Å; R869-E871 VanDerWaalsContact C-N 3.26Å; R869-E871 HydrophobicContact CB-CB 4.23Å; R869-E871 IonicContact CZ-OE2 2.64Å; R869-E871 VanDerWaalsContact CZ-OE2 3.32Å; R869-E871 IonicContact NE-OE2 3.2Å; R869-E871 PolarHBondContact NE-OE2 3.4Å; R869-E871 VanDerWaalsContact NE-OE2 3.09Å; R869-E871 IonicContact NH2-OE2 3.21Å; R869-E871 PolarHBondContact NH2-OE2 2.93Å
870	G	89.9	Confident	92	Very high	51 Å²	51	42.3 Å²	42.3	53%	0.526	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	20.5	-166.7	0	0	0	0	0	113.6	E866 T867	E866-G870 PolarHBondContact O-N 2.9Å; T867-G870 PolarHBondContact O-N 3.35Å
871	E	89.3	Confident	91.6	Very high	69 Å²	69	44.1 Å²	44.1	32%	0.322	23%	0.231	S	C	.	.			trans	-143.7	116.9	-171	-177.8	-173.5	-145.1	0	0	110.5	P654 E866 R869 Y873	P654-E871 WeakPolarHBondContact CG-OE1 3.3Å; E866-E871 WeakPolarHBondContact CB-O 3.47Å; E866-E871 PolarHBondContact O-N 2.84Å; R869-E871 VanDerWaalsContact C-N 3.26Å; R869-E871 HydrophobicContact CB-CB 4.23Å; R869-E871 IonicContact CZ-OE2 2.64Å; R869-E871 VanDerWaalsContact CZ-OE2 3.32Å; R869-E871 IonicContact NE-OE2 3.2Å; R869-E871 PolarHBondContact NE-OE2 3.4Å; R869-E871 VanDerWaalsContact NE-OE2 3.09Å; R869-E871 IonicContact NH2-OE2 3.21Å; R869-E871 PolarHBondContact NH2-OE2 2.93Å; E871-Y873 HydrophobicContact CG-CD1 4.17Å
872	R	90.7	Very high	91.4	Very high	33 Å²	33	48.2 Å²	48.2	13%	0.125	25%	0.246	C	C	.	.			trans	-89.9	124.2	171.8	-165.3	-174.6	-161.8	136.3	19.3	109.7	R863 E866 T875 H876 E877 D880	R863-R872 VanDerWaalsContact CZ-CZ 3.48Å; R863-R872 VanDerWaalsContact NE-NH2 3.12Å; E866-R872 WeakPolarHBondContact OE1-CG 3.42Å; R872-T875 PolarHBondContact NE-O 2.6Å; R872-T875 PolarHBondContact NE-OG1 3.37Å; R872-T875 VanDerWaalsContact NE-OG1 3.08Å; R872-T875 PolarHBondContact NH2-OG1 3.07Å; R872-H876 VanDerWaalsContact NH2-C 3.33Å; R872-H876 PolarHBondContact NH2-O 2.65Å; R872-E877 WeakPolarHBondContact CD-OE1 3.4Å; R872-E877 IonicContact CZ-OE1 3.28Å; R872-E877 VanDerWaalsContact CZ-OE1 3.26Å; R872-E877 IonicContact NE-OE1 3.43Å; R872-E877 PolarHBondContact NE-OE1 2.87Å; R872-E877 IonicContact NH1-OE1 2.84Å; R872-E877 PolarHBondContact NH1-OE1 2.73Å; R872-D880 IonicContact CZ-OD2 3.67Å; R872-D880 VanDerWaalsContact CZ-OD2 3.28Å; R872-D880 IonicContact NH1-OD2 3.32Å; R872-D880 PolarHBondContact NH1-OD2 2.86Å; R872-D880 IonicContact NH2-OD1 3.81Å; R872-D880 PolarHBondContact NH2-OD1 2.82Å; R872-D880 IonicContact NH2-OD2 3.69Å; R872-D880 PolarHBondContact NH2-OD2 2.99Å
873	Y	92.4	Very high	91.4	Very high	30 Å²	30	48.7 Å²	48.7	12%	0.118	25%	0.248	C	C	.	.			trans	-151.7	-9	177.5	74.5	-91.6	0	0	0	114.9	P654 Q703 V706 Q736 F865 E866 E871	P654-Y873 HydrophobicContact CB-CD1 3.9Å; P654-Y873 HydrophobicContact CB-CD2 4.06Å; P654-Y873 HydrophobicContact CB-CE1 3.7Å; P654-Y873 HydrophobicContact CB-CE2 3.89Å; P654-Y873 HydrophobicContact CB-CG 4.08Å; P654-Y873 HydrophobicContact CG-CD1 3.92Å; P654-Y873 HydrophobicContact CG-CD2 4.15Å; P654-Y873 HydrophobicContact CG-CE1 4.24Å; P654-Y873 HydrophobicContact CG-CE2 4.49Å; P654-Y873 HydrophobicContact CG-CG 3.86Å; Q703-Y873 PolarHBondContact OE1-OH 2.76Å; V706-Y873 HydrophobicContact CG1-CD2 4.34Å; V706-Y873 WeakPolarHBondContact CG1-O 3.38Å; Q736-Y873 PolarHBondContact NE2-OH 3.15Å; F865-Y873 AromaticContact CE1-CE1 3.9Å; F865-Y873 HydrophobicContact CE1-CE1 3.9Å; F865-Y873 AromaticContact CE1-CZ 3.96Å; F865-Y873 WeakPolarHBondContact CE1-OH 3.02Å; E866-Y873 PolarHBondContact OE1-N 3.38Å; E871-Y873 HydrophobicContact CG-CD1 4.17Å
874	I	94.7	Very high	91.3	Very high	12 Å²	12	52.5 Å²	52.5	6%	0.062	27%	0.266	C	S	.	.	S	Bend	trans	-105.1	-52.7	-175.9	-54.3	167.6	0	0	0	110.1	T702 Q703 V706 L862 F865 E866	T702-I874 HydrophobicContact CG2-CG2 3.71Å; Q703-I874 HydrophobicContact CG-CD1 3.69Å; Q703-I874 HydrophobicContact CG-CG1 4.48Å; V706-I874 HydrophobicContact CG2-CG2 4.07Å; L862-I874 HydrophobicContact CD1-CG2 4.21Å; L862-I874 HydrophobicContact CD2-CD1 4.08Å; L862-I874 HydrophobicContact CD2-CG2 4.11Å; F865-I874 HydrophobicContact CD1-CD1 3.75Å; F865-I874 HydrophobicContact CE1-CD1 3.63Å; E866-I874 HydrophobicContact CG-CD1 4.5Å; E866-I874 WeakPolarHBondContact OE1-CA 3.26Å; E866-I874 WeakPolarHBondContact OE1-CB 3.47Å; E866-I874 PolarHBondContact OE1-N 3.01Å
875	T	92.7	Very high	91.3	Very high	15 Å²	15	56 Å²	56	9%	0.092	28%	0.28	C	S	.	.	S	Bend	trans	-93.3	163.7	-178.1	73.7	0	0	0	0	111.2	L862 R863 E866 R872	L862-T875 HydrophobicContact CB-CG2 3.85Å; R863-T875 WeakPolarHBondContact CD-OG1 3.46Å; R863-T875 HydrophobicContact CG-CG2 4.44Å; E866-T875 PolarHBondContact OE1-N 2.83Å; E866-T875 PolarHBondContact OE2-OG1 3.44Å; R872-T875 PolarHBondContact NE-O 2.6Å; R872-T875 PolarHBondContact NE-OG1 3.37Å; R872-T875 VanDerWaalsContact NE-OG1 3.08Å; R872-T875 PolarHBondContact NH2-OG1 3.07Å
876	H	89.4	Confident	91.2	Very high	111 Å²	111	59.5 Å²	59.5	51%	0.514	29%	0.293	S	S	.	.			trans	-121.3	156.9	177.8	-176	-112.6	0	0	0	111	R872 S878 D879	R872-H876 VanDerWaalsContact NH2-C 3.33Å; R872-H876 PolarHBondContact NH2-O 2.65Å; H876-S878 PolarHBondContact ND1-N 2.91Å; H876-S878 PolarHBondContact ND1-OG 3.05Å; H876-S878 PolarHBondContact O-N 3.08Å; H876-S878 VanDerWaalsContact O-N 3.12Å; H876-D879 PolarHBondContact N-OD2 3.08Å; H876-D879 WeakPolarHBondContact O-CA 3.36Å; H876-D879 WeakPolarHBondContact O-CB 3.27Å; H876-D879 PolarHBondContact O-N 3.41Å
877	E	87.1	Confident	91.2	Very high	83 Å²	83	59.4 Å²	59.4	39%	0.388	29%	0.293	S	S	.	.	H	α-helix	trans	-55.7	-33	-176.8	-73.4	54.5	-129	0	0	112.6	R872 D879 D880 A901	R872-E877 WeakPolarHBondContact CD-OE1 3.4Å; R872-E877 IonicContact CZ-OE1 3.28Å; R872-E877 VanDerWaalsContact CZ-OE1 3.26Å; R872-E877 IonicContact NE-OE1 3.43Å; R872-E877 PolarHBondContact NE-OE1 2.87Å; R872-E877 IonicContact NH1-OE1 2.84Å; R872-E877 PolarHBondContact NH1-OE1 2.73Å; E877-D879 PolarHBondContact O-N 3.39Å; E877-D880 PolarHBondContact O-N 3.4Å; E877-A901 WeakPolarHBondContact OE1-CB 3.5Å
878	S	88.3	Confident	91.4	Very high	69 Å²	69	63.9 Å²	63.9	48%	0.483	32%	0.316	S	S	.	.	H	α-helix	trans	-67.6	-19	174.2	63.2	0	0	0	0	114.4	H876 R882	H876-S878 PolarHBondContact ND1-N 2.91Å; H876-S878 PolarHBondContact ND1-OG 3.05Å; H876-S878 PolarHBondContact O-N 3.08Å; H876-S878 VanDerWaalsContact O-N 3.12Å; S878-R882 VanDerWaalsContact O-CB 3.29Å; S878-R882 WeakPolarHBondContact O-CB 3.25Å; S878-R882 PolarHBondContact O-N 3.36Å
879	D	90.4	Very high	91.6	Very high	31 Å²	31	63.8 Å²	63.8	17%	0.166	32%	0.321	C	S	.	.	H	α-helix	trans	-70.9	-43.3	171.8	-61.6	-42.7	0	0	0	110.1	H876 E877 R882 W883	H876-D879 PolarHBondContact N-OD2 3.08Å; H876-D879 WeakPolarHBondContact O-CA 3.36Å; H876-D879 WeakPolarHBondContact O-CB 3.27Å; H876-D879 PolarHBondContact O-N 3.41Å; E877-D879 PolarHBondContact O-N 3.39Å; D879-R882 PolarHBondContact O-N 2.73Å; D879-R882 IonicContact OD1-CZ 3.49Å; D879-R882 IonicContact OD1-NE 3.54Å; D879-R882 IonicContact OD1-NH2 2.86Å; D879-R882 PolarHBondContact OD1-NH2 3.41Å; D879-W883 WeakPolarHBondContact O-CB 3.38Å; D879-W883 PolarHBondContact O-N 3.19Å
880	D	90.1	Very high	91.9	Very high	7 Å²	7	63.2 Å²	63.2	4%	0.037	32%	0.323	C	S	.	.	H	α-helix	trans	-62.5	-49.4	-175.4	-62.2	-12.8	0	0	0	110.8	W859 R863 R872 E877 R882 W883 E884 Y894	W859-D880 HydrophobicContact CZ2-CB 4.32Å; W859-D880 WeakPolarHBondContact CZ2-OD1 3.27Å; W859-D880 PolarHBondContact NE1-OD1 3.23Å; R863-D880 WeakPolarHBondContact CD-OD1 3.29Å; R863-D880 IonicContact CZ-OD1 3.55Å; R863-D880 IonicContact CZ-OD2 2.69Å; R863-D880 IonicContact NE-OD1 3.68Å; R863-D880 PolarHBondContact NE-OD1 3.01Å; R863-D880 IonicContact NE-OD2 3.89Å; R863-D880 PolarHBondContact NE-OD2 3.16Å; R863-D880 IonicContact NH2-OD1 2.7Å; R863-D880 IonicContact NH2-OD2 3.22Å; R863-D880 PolarHBondContact NH2-OD2 2.91Å; R872-D880 IonicContact CZ-OD2 3.67Å; R872-D880 VanDerWaalsContact CZ-OD2 3.28Å; R872-D880 IonicContact NH1-OD2 3.32Å; R872-D880 PolarHBondContact NH1-OD2 2.86Å; R872-D880 IonicContact NH2-OD1 3.81Å; R872-D880 PolarHBondContact NH2-OD1 2.82Å; R872-D880 IonicContact NH2-OD2 3.69Å; R872-D880 PolarHBondContact NH2-OD2 2.99Å; E877-D880 PolarHBondContact O-N 3.4Å; D880-R882 PolarHBondContact O-N 3.02Å; D880-W883 PolarHBondContact O-N 2.72Å; D880-E884 WeakPolarHBondContact O-CB 3.25Å; D880-E884 PolarHBondContact O-N 2.91Å; D880-Y894 PolarHBondContact O-OH 3.43Å
881	A	87.9	Confident	92.1	Very high	61 Å²	61	68 Å²	68	50%	0.504	34%	0.336	S	S	.	.	H	α-helix	trans	-60.9	-41.3	176.8	0	0	0	0	0	113.1	W883 E884 E885	A881-W883 VanDerWaalsContact C-N 3.34Å; A881-W883 PolarHBondContact O-N 2.84Å; A881-E884 PolarHBondContact O-N 3.1Å; A881-E885 PolarHBondContact O-N 3.04Å; A881-E885 VanDerWaalsContact O-N 3.12Å
882	R	92.6	Very high	92.4	Very high	92 Å²	92	67.8 Å²	67.8	35%	0.347	34%	0.337	S	S	.	.	H	α-helix	trans	-64.4	-38.2	177.1	171.8	175.8	61.2	133.2	-6.3	112.2	Q854 S878 D879 D880 Y886	Q854-R882 VanDerWaalsContact OE1-CZ 3.28Å; S878-R882 VanDerWaalsContact O-CB 3.29Å; S878-R882 WeakPolarHBondContact O-CB 3.25Å; S878-R882 PolarHBondContact O-N 3.36Å; D879-R882 PolarHBondContact O-N 2.73Å; D879-R882 IonicContact OD1-CZ 3.49Å; D879-R882 IonicContact OD1-NE 3.54Å; D879-R882 IonicContact OD1-NH2 2.86Å; D879-R882 PolarHBondContact OD1-NH2 3.41Å; D880-R882 PolarHBondContact O-N 3.02Å; R882-Y886 WeakPolarHBondContact O-CB 3.06Å; R882-Y886 PolarHBondContact O-N 2.77Å; R882-Y886 VanDerWaalsContact O-N 3.11Å
883	W	94.2	Very high	92.4	Very high	19 Å²	19	71.2 Å²	71.2	7%	0.072	36%	0.364	C	S	.	.	H	α-helix	trans	-84.8	-18.7	-179.8	-68	121.4	0	0	0	113.1	Q854 Y856 W859 D879 D880 A881 Y886 A887	Q854-W883 WeakPolarHBondContact O-CH2 3.2Å; Y856-W883 HydrophobicContact CD2-CB 3.92Å; Y856-W883 HydrophobicContact CD2-CD2 4.03Å; Y856-W883 AromaticContact CD2-CE3 3.67Å; Y856-W883 HydrophobicContact CD2-CE3 3.67Å; Y856-W883 HydrophobicContact CD2-CG 4.17Å; Y856-W883 HydrophobicContact CE2-CB 3.99Å; Y856-W883 WeakPolarHBondContact CE2-O 3.47Å; Y856-W883 HydrophobicContact CG-CE3 4.28Å; W859-W883 HydrophobicContact CB-CD2 4.5Å; W859-W883 HydrophobicContact CB-CG 4.23Å; W859-W883 AromaticContact CD1-CD1 3.33Å; W859-W883 AromaticContact CD1-NE1 3.82Å; W859-W883 HydrophobicContact CD2-CB 3.71Å; W859-W883 AromaticContact CD2-CD1 3.43Å; W859-W883 VanDerWaalsContact CD2-CD1 3.43Å; W859-W883 AromaticContact CD2-CG 3.68Å; W859-W883 HydrophobicContact CD2-CG 3.68Å; W859-W883 AromaticContact CE2-CD1 3.77Å; W859-W883 HydrophobicContact CE3-CB 3.66Å; W859-W883 AromaticContact CE3-CG 3.93Å; W859-W883 HydrophobicContact CE3-CG 3.93Å; W859-W883 HydrophobicContact CG-CB 4.38Å; W859-W883 AromaticContact CG-CD1 3.16Å; W859-W883 AromaticContact CG-CG 3.83Å; W859-W883 HydrophobicContact CG-CG 3.83Å; W859-W883 AromaticContact CG-NE1 3.58Å; W859-W883 HydrophobicContact CH2-CB 4.05Å; W859-W883 HydrophobicContact CZ2-CB 4.06Å; W859-W883 HydrophobicContact CZ3-CB 3.84Å; W859-W883 AromaticContact NE1-CD1 3.65Å; D879-W883 WeakPolarHBondContact O-CB 3.38Å; D879-W883 PolarHBondContact O-N 3.19Å; D880-W883 PolarHBondContact O-N 2.72Å; A881-W883 VanDerWaalsContact C-N 3.34Å; A881-W883 PolarHBondContact O-N 2.84Å; W883-Y886 AromaticContact CE3-CD1 3.63Å; W883-Y886 HydrophobicContact CE3-CD1 3.63Å; W883-Y886 HydrophobicContact CE3-CE1 4.36Å; W883-Y886 AromaticContact CE3-CG 3.72Å; W883-Y886 HydrophobicContact CE3-CG 3.72Å; W883-Y886 AromaticContact CZ3-CD1 3.72Å; W883-Y886 HydrophobicContact CZ3-CD1 3.72Å; W883-Y886 HydrophobicContact CZ3-CD2 4.15Å; W883-Y886 HydrophobicContact CZ3-CE1 4.07Å; W883-Y886 HydrophobicContact CZ3-CE2 4.47Å; W883-Y886 AromaticContact CZ3-CG 3.78Å; W883-Y886 HydrophobicContact CZ3-CG 3.78Å; W883-A887 WeakPolarHBondContact O-CB 3.23Å; W883-A887 PolarHBondContact O-N 2.93Å
884	E	92.4	Very high	92.2	Very high	82 Å²	82	71.8 Å²	71.8	38%	0.383	37%	0.366	S	S	.	.	H	α-helix	trans	-67.6	-52.5	165.6	-164.6	161.8	-146	0	0	110.6	D880 A881 Y886 A887 D888 Y894	D880-E884 WeakPolarHBondContact O-CB 3.25Å; D880-E884 PolarHBondContact O-N 2.91Å; A881-E884 PolarHBondContact O-N 3.1Å; E884-Y886 PolarHBondContact O-N 3.18Å; E884-A887 PolarHBondContact O-N 2.99Å; E884-A887 VanDerWaalsContact O-N 3.11Å; E884-D888 PolarHBondContact O-N 3.46Å; E884-Y894 VanDerWaalsContact CA-CE2 3.46Å; E884-Y894 HydrophobicContact CB-CD2 3.98Å; E884-Y894 HydrophobicContact CB-CE1 4.12Å; E884-Y894 HydrophobicContact CB-CE2 3.52Å; E884-Y894 HydrophobicContact CB-CG 4.45Å; E884-Y894 VanDerWaalsContact CD-CE1 3.49Å; E884-Y894 HydrophobicContact CG-CD1 3.96Å; E884-Y894 HydrophobicContact CG-CD2 4.18Å; E884-Y894 HydrophobicContact CG-CE1 3.78Å; E884-Y894 HydrophobicContact CG-CE2 4.02Å; E884-Y894 HydrophobicContact CG-CG 4.15Å; E884-Y894 VanDerWaalsContact OE1-CE1 3.25Å; E884-Y894 WeakPolarHBondContact OE1-CE1 3.08Å
885	E	93.1	Very high	91.8	Very high	135 Å²	135	72.7 Å²	72.7	63%	0.631	37%	0.373	S	S	*	.	H	α-helix	trans	-56.4	-48.4	175.2	-176.5	172.9	-138.9	0	0	111.6	A881 A887 D888 E889	A881-E885 PolarHBondContact O-N 3.04Å; A881-E885 VanDerWaalsContact O-N 3.12Å; E885-A887 VanDerWaalsContact C-N 3.33Å; E885-A887 PolarHBondContact O-N 3.35Å; E885-D888 PolarHBondContact O-N 3.04Å; E885-E889 WeakPolarHBondContact O-CG 3.23Å; E885-E889 PolarHBondContact O-N 2.89Å
886	Y	94.1	Very high	91.3	Very high	82 Å²	82	81 Å²	81	32%	0.322	41%	0.408	S	S	.	.	H	α-helix	trans	-60	-39.7	175.5	179.9	-94.3	0	0	0	112.9	Y856 R882 W883 E884 H890 L892	Y856-Y886 HydrophobicContact CD2-CD1 4.01Å; Y856-Y886 HydrophobicContact CG-CD1 4.12Å; Y856-Y886 HydrophobicContact CG-CE1 4.16Å; R882-Y886 WeakPolarHBondContact O-CB 3.06Å; R882-Y886 PolarHBondContact O-N 2.77Å; R882-Y886 VanDerWaalsContact O-N 3.11Å; W883-Y886 AromaticContact CE3-CD1 3.63Å; W883-Y886 HydrophobicContact CE3-CD1 3.63Å; W883-Y886 HydrophobicContact CE3-CE1 4.36Å; W883-Y886 AromaticContact CE3-CG 3.72Å; W883-Y886 HydrophobicContact CE3-CG 3.72Å; W883-Y886 AromaticContact CZ3-CD1 3.72Å; W883-Y886 HydrophobicContact CZ3-CD1 3.72Å; W883-Y886 HydrophobicContact CZ3-CD2 4.15Å; W883-Y886 HydrophobicContact CZ3-CE1 4.07Å; W883-Y886 HydrophobicContact CZ3-CE2 4.47Å; W883-Y886 AromaticContact CZ3-CG 3.78Å; W883-Y886 HydrophobicContact CZ3-CG 3.78Å; E884-Y886 PolarHBondContact O-N 3.18Å; Y886-H890 AromaticContact CD2-CE1 3.5Å; Y886-H890 AromaticContact CD2-ND1 3.52Å; Y886-H890 AromaticContact CE2-CE1 3.26Å; Y886-H890 WeakPolarHBondContact CE2-CE1 3.34Å; Y886-H890 AromaticContact CE2-CG 4Å; Y886-H890 AromaticContact CE2-ND1 3.47Å; Y886-H890 WeakPolarHBondContact CE2-ND1 3.41Å; Y886-H890 AromaticContact CE2-NE2 3.62Å; Y886-H890 AromaticContact CG-ND1 3.93Å; Y886-H890 AromaticContact CZ-CE1 3.94Å; Y886-H890 AromaticContact CZ-CG 3.91Å; Y886-H890 AromaticContact CZ-ND1 3.83Å; Y886-H890 WeakPolarHBondContact O-CB 3.49Å; Y886-H890 PolarHBondContact O-N 3.43Å; Y886-H890 VanDerWaalsContact O-N 3.07Å; Y886-H890 PolarHBondContact O-ND1 2.81Å; Y886-L892 HydrophobicContact CD1-CD1 4.25Å; Y886-L892 HydrophobicContact CE1-CD1 3.72Å
887	A	94.6	Very high	90.8	Very high	0 Å²	0	81.2 Å²	81.2	0%	0	41%	0.409	C	S	.	.	H	α-helix	trans	-67.8	-42.6	-179.9	0	0	0	0	0	111.8	Y856 W883 E884 E885 H890 N891 L892 Y894	Y856-A887 HydrophobicContact CE2-CB 3.98Å; W883-A887 WeakPolarHBondContact O-CB 3.23Å; W883-A887 PolarHBondContact O-N 2.93Å; E884-A887 PolarHBondContact O-N 2.99Å; E884-A887 VanDerWaalsContact O-N 3.11Å; E885-A887 VanDerWaalsContact C-N 3.33Å; E885-A887 PolarHBondContact O-N 3.35Å; A887-H890 CarbonylContact O-C 3.52Å; A887-H890 PolarHBondContact O-N 3.1Å; A887-N891 WeakPolarHBondContact O-CA 3.34Å; A887-N891 PolarHBondContact O-N 3.44Å; A887-L892 HydrophobicContact CB-CB 4.19Å; A887-L892 PolarHBondContact O-N 2.83Å; A887-Y894 HydrophobicContact CB-CD2 4.3Å
888	D	94.9	Very high	90.6	Very high	120 Å²	120	77.9 Å²	77.9	64%	0.642	39%	0.393	S	S	*	.	H	α-helix	trans	-64.7	-45.4	175.9	-83.8	-8	0	0	0	111.6	E884 E885 H890 N891	E884-D888 PolarHBondContact O-N 3.46Å; E885-D888 PolarHBondContact O-N 3.04Å; D888-H890 VanDerWaalsContact C-N 3.29Å; D888-H890 PolarHBondContact O-N 2.87Å; D888-N891 PolarHBondContact O-N 3.42Å
889	E	96.7	Very high	89.8	Confident	134 Å²	134	78.2 Å²	78.2	63%	0.626	39%	0.388	S	S	*	.	H	α-helix	trans	-56	-42.7	174.4	-76.8	-168.2	144.8	0	0	112.5	E885	E885-E889 WeakPolarHBondContact O-CG 3.23Å; E885-E889 PolarHBondContact O-N 2.89Å
890	H	94.9	Very high	88.6	Confident	92 Å²	92	82.7 Å²	82.7	43%	0.426	41%	0.41	S	S	.	.	H	α-helix	trans	-95.6	4.4	-173	-64.1	74	0	0	0	113.7	Y886 A887 D888 L892	Y886-H890 AromaticContact CD2-CE1 3.5Å; Y886-H890 AromaticContact CD2-ND1 3.52Å; Y886-H890 AromaticContact CE2-CE1 3.26Å; Y886-H890 WeakPolarHBondContact CE2-CE1 3.34Å; Y886-H890 AromaticContact CE2-CG 4Å; Y886-H890 AromaticContact CE2-ND1 3.47Å; Y886-H890 WeakPolarHBondContact CE2-ND1 3.41Å; Y886-H890 AromaticContact CE2-NE2 3.62Å; Y886-H890 AromaticContact CG-ND1 3.93Å; Y886-H890 AromaticContact CZ-CE1 3.94Å; Y886-H890 AromaticContact CZ-CG 3.91Å; Y886-H890 AromaticContact CZ-ND1 3.83Å; Y886-H890 WeakPolarHBondContact O-CB 3.49Å; Y886-H890 PolarHBondContact O-N 3.43Å; Y886-H890 VanDerWaalsContact O-N 3.07Å; Y886-H890 PolarHBondContact O-ND1 2.81Å; A887-H890 CarbonylContact O-C 3.52Å; A887-H890 PolarHBondContact O-N 3.1Å; D888-H890 VanDerWaalsContact C-N 3.29Å; D888-H890 PolarHBondContact O-N 2.87Å; H890-L892 VanDerWaalsContact C-N 3.29Å; H890-L892 HydrophobicContact CB-CD1 3.89Å; H890-L892 HydrophobicContact CB-CG 3.85Å; H890-L892 PolarHBondContact O-N 3.05Å
891	N	94.6	Very high	87	Confident	150 Å²	150	83.7 Å²	83.7	80%	0.802	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	40.4	-177.1	-65.9	-112.1	0	0	0	112.9	A887 D888	A887-N891 WeakPolarHBondContact O-CA 3.34Å; A887-N891 PolarHBondContact O-N 3.44Å; D888-N891 PolarHBondContact O-N 3.42Å
892	L	93.9	Very high	85.2	Confident	66 Å²	66	84.6 Å²	84.6	35%	0.346	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-96.8	152.7	179.4	-60.3	176.1	0	0	0	111.3	Y856 Y886 A887 H890 Y894	Y856-L892 HydrophobicContact CD1-CD1 3.82Å; Y856-L892 HydrophobicContact CE1-CB 4.03Å; Y856-L892 HydrophobicContact CE1-CD1 4.06Å; Y856-L892 HydrophobicContact CG-CD1 4.41Å; Y886-L892 HydrophobicContact CD1-CD1 4.25Å; Y886-L892 HydrophobicContact CE1-CD1 3.72Å; A887-L892 HydrophobicContact CB-CB 4.19Å; A887-L892 PolarHBondContact O-N 2.83Å; H890-L892 VanDerWaalsContact C-N 3.29Å; H890-L892 HydrophobicContact CB-CD1 3.89Å; H890-L892 HydrophobicContact CB-CG 3.85Å; H890-L892 PolarHBondContact O-N 3.05Å; L892-Y894 PolarHBondContact O-N 2.81Å
893	P	90.3	Very high	82.9	Confident	105 Å²	105	85.9 Å²	85.9	68%	0.682	43%	0.433	S	S	*	.	P	Polyproline II helix	trans	-74	117.9	178.4	29	-33.8	0	0	0	111.6	Y856	Y856-P893 PolarHBondContact OH-O 2.85Å
894	Y	88.8	Confident	80.7	Confident	41 Å²	41	92 Å²	92	16%	0.161	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-92.8	119.1	173.4	-172.8	-101.8	0	0	0	112.2	Y856 W859 D880 E884 A887 L892 K896	Y856-Y894 WeakPolarHBondContact OH-CA 3.4Å; W859-Y894 AromaticContact CH2-CD2 3.82Å; W859-Y894 HydrophobicContact CH2-CD2 3.82Å; W859-Y894 AromaticContact CH2-CE2 3.29Å; W859-Y894 HydrophobicContact CH2-CE2 3.29Å; W859-Y894 AromaticContact CZ2-CE2 3.97Å; W859-Y894 HydrophobicContact CZ2-CE2 3.97Å; W859-Y894 HydrophobicContact CZ3-CD2 4.28Å; W859-Y894 HydrophobicContact CZ3-CE2 4.14Å; D880-Y894 PolarHBondContact O-OH 3.43Å; E884-Y894 VanDerWaalsContact CA-CE2 3.46Å; E884-Y894 HydrophobicContact CB-CD2 3.98Å; E884-Y894 HydrophobicContact CB-CE1 4.12Å; E884-Y894 HydrophobicContact CB-CE2 3.52Å; E884-Y894 HydrophobicContact CB-CG 4.45Å; E884-Y894 VanDerWaalsContact CD-CE1 3.49Å; E884-Y894 HydrophobicContact CG-CD1 3.96Å; E884-Y894 HydrophobicContact CG-CD2 4.18Å; E884-Y894 HydrophobicContact CG-CE1 3.78Å; E884-Y894 HydrophobicContact CG-CE2 4.02Å; E884-Y894 HydrophobicContact CG-CG 4.15Å; E884-Y894 VanDerWaalsContact OE1-CE1 3.25Å; E884-Y894 WeakPolarHBondContact OE1-CE1 3.08Å; A887-Y894 HydrophobicContact CB-CD2 4.3Å; L892-Y894 PolarHBondContact O-N 2.81Å; Y894-K896 PolarHBondContact O-N 3.03Å
895	P	87.4	Confident	78.4	Confident	31 Å²	31	94.8 Å²	94.8	20%	0.201	48%	0.484	C	S	.	.			trans	-79.7	109.3	-174.4	-15.9	32.2	0	0	0	114.2	L860 H897 F898	L860-P895 HydrophobicContact CD2-CG 3.55Å; P895-H897 PolarHBondContact O-N 3.16Å; P895-F898 HydrophobicContact CB-CD2 4.37Å; P895-F898 HydrophobicContact CB-CE1 4.15Å; P895-F898 HydrophobicContact CB-CE2 3.85Å; P895-F898 HydrophobicContact CB-CZ 3.73Å; P895-F898 HydrophobicContact CG-CE1 4.44Å; P895-F898 HydrophobicContact CG-CE2 3.79Å; P895-F898 HydrophobicContact CG-CZ 3.62Å
896	K	81	Confident	76.2	Confident	191 Å²	191	94.9 Å²	94.9	83%	0.83	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	20.4	179.8	-53.8	-165.4	176.5	-162.4	0	115.5	Y894	Y894-K896 PolarHBondContact O-N 3.03Å
897	H	79.8	Confident	73.8	Confident	115 Å²	115	97.7 Å²	97.7	53%	0.532	51%	0.507	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.4	2.6	-173.6	81	-82.9	0	0	0	113.9	D864 P895	D864-H897 IonicContact OD1-CE1 3.97Å; D864-H897 IonicContact OD1-NE2 3.47Å; P895-H897 PolarHBondContact O-N 3.16Å
898	F	83.6	Confident	71.3	Confident	13 Å²	13	106 Å²	106	6%	0.057	55%	0.552	C	S	.	*	S	Bend	trans	-71.5	142.6	177.6	-62.8	-36.7	0	0	0	112.4	W859 L860 R863 D864 T867 P895 M900	W859-F898 HydrophobicContact CH2-CD2 4.06Å; W859-F898 AromaticContact CH2-CE2 3.54Å; W859-F898 HydrophobicContact CH2-CE2 3.54Å; W859-F898 HydrophobicContact CZ2-CD2 4.16Å; W859-F898 AromaticContact CZ2-CE2 3.96Å; W859-F898 HydrophobicContact CZ2-CE2 3.96Å; W859-F898 HydrophobicContact CZ3-CE2 4.07Å; L860-F898 HydrophobicContact CD2-CE2 4.09Å; L860-F898 HydrophobicContact CD2-CZ 3.84Å; R863-F898 HydrophobicContact CB-CD1 3.77Å; R863-F898 HydrophobicContact CB-CD2 3.82Å; R863-F898 HydrophobicContact CB-CE1 3.63Å; R863-F898 HydrophobicContact CB-CE2 3.67Å; R863-F898 HydrophobicContact CB-CG 3.86Å; R863-F898 HydrophobicContact CB-CZ 3.57Å; R863-F898 HydrophobicContact CG-CD2 4.25Å; R863-F898 HydrophobicContact CG-CE2 4.17Å; R863-F898 HydrophobicContact CG-CZ 4.49Å; D864-F898 WeakPolarHBondContact OD1-CE1 3.19Å; T867-F898 WeakPolarHBondContact OG1-CA 3.14Å; P895-F898 HydrophobicContact CB-CD2 4.37Å; P895-F898 HydrophobicContact CB-CE1 4.15Å; P895-F898 HydrophobicContact CB-CE2 3.85Å; P895-F898 HydrophobicContact CB-CZ 3.73Å; P895-F898 HydrophobicContact CG-CE1 4.44Å; P895-F898 HydrophobicContact CG-CE2 3.79Å; P895-F898 HydrophobicContact CG-CZ 3.62Å; F898-M900 HydrophobicContact CB-CE 4.09Å; F898-M900 PolarHBondContact O-N 2.86Å
899	I	70.4	Confident	68.9	Low	75 Å²	75	108.3 Å²	108.3	39%	0.385	56%	0.559	S	S	.	*			trans	-73.6	122.3	177.7	-64.2	170.3	0	0	0	109.6	R863 T867 A901	R863-I899 PolarHBondContact NH2-O 3.16Å; T867-I899 HydrophobicContact CG2-CD1 4.35Å; T867-I899 HydrophobicContact CG2-CG1 4.2Å; T867-I899 PolarHBondContact OG1-N 3.4Å; I899-A901 VanDerWaalsContact C-N 3.3Å; I899-A901 PolarHBondContact O-N 2.76Å
900	M	64.2	Low	65.9	Low	125 Å²	125	109.7 Å²	109.7	62%	0.616	57%	0.57	S	S	*	*			trans	-84.1	66.2	-176.9	-67.2	-71.4	110.4	0	0	111.6	F898	F898-M900 HydrophobicContact CB-CE 4.09Å; F898-M900 PolarHBondContact O-N 2.86Å
901	A	57.4	Low	63.5	Low	29 Å²	29	114.3 Å²	114.3	24%	0.24	61%	0.608	C	S	.	*	S	Bend	trans	71.3	170.3	-179	0	0	0	0	0	114.6	E877 I899	E877-A901 WeakPolarHBondContact OE1-CB 3.5Å; I899-A901 VanDerWaalsContact C-N 3.3Å; I899-A901 PolarHBondContact O-N 2.76Å
902	P	50.9	Low	62	Low	80 Å²	80	112.6 Å²	112.6	52%	0.519	60%	0.599	S	S	.	*			trans	-81.4	150.5	-176.5	33.6	-33.1	0	0	0	112	L904	P902-L904 PolarHBondContact O-N 2.94Å
903	N	44.4	Very low	60.3	Low	118 Å²	118	115 Å²	115	63%	0.631	61%	0.612	S	S	*	*			trans	-70	115.1	171.6	-162.1	-1.4	0	0	0	109.2	D906	N903-D906 PolarHBondContact ND2-OD2 3.38Å
904	L	47.3	Very low	58.6	Low	147 Å²	147	115.6 Å²	115.6	77%	0.77	61%	0.608	S	S	*	*			trans	-92.8	-57.8	-177.6	-81.3	168.6	0	0	0	111.3	P902	P902-L904 PolarHBondContact O-N 2.94Å
905	D	44.5	Very low	56.9	Low	141 Å²	141	119.9 Å²	119.9	75%	0.754	64%	0.635	S	S	*	*			trans	-144.2	86.9	-174	-63.4	-77.5	0	0	0	110.5	M907	D905-M907 PolarHBondContact O-N 2.93Å
906	D	46.2	Very low	55	Low	137 Å²	137	125.5 Å²	125.5	73%	0.733	66%	0.662	S	S	*	*	S	Bend	trans	-75.9	67.4	167.5	-113.5	-25.9	0	0	0	109.8	N903	N903-D906 PolarHBondContact ND2-OD2 3.38Å
907	M	43.1	Very low	53.2	Low	142 Å²	142	121.1 Å²	121.1	70%	0.7	65%	0.65	S	S	*	*			trans	58.7	74.4	167.2	-58.2	-161.5	71.1	0	0	118.5	D905 E909	D905-M907 PolarHBondContact O-N 2.93Å; M907-E909 HydrophobicContact CE-CB 4.45Å
908	D	42	Very low	51.3	Low	175 Å²	175	121.6 Å²	121.6	94%	0.936	66%	0.659	S	S	*	*			trans	-92.6	51.7	141.3	-90.6	-35.4	0	0	0	109.8
909	E	45	Very low	48.8	Very low	168 Å²	168	129.9 Å²	129.9	79%	0.785	71%	0.705	S	S	*	*			trans	-104.7	97.9	161.7	-87.6	-158.8	149.1	0	0	109.9	M907	M907-E909 HydrophobicContact CE-CB 4.45Å
910	D	34.4	Very low	47	Very low	163 Å²	163	134.5 Å²	134.5	87%	0.872	73%	0.732	S	S	*	*			trans	-148.2	146.1	147.3	-137.6	8	0	0	0	106.8
911	P	45.1	Very low	45.5	Very low	189 Å²	189	135.4 Å²	135.4	100%	1.227	74%	0.742	S	S	*	*			trans	-92.1	0	-151.3	35.6	-38.6	0	0	0	117.9

Retrieved 911 of 911 residues in 893.8 ms (Link to these results)

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