A0A087XRP9_POEFO Loading...

Serine/threonine-protein kinase

AlphaFold DB , UniProt , Accession A0A087XRP9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 935 aa.

						>A0A087XRP9_POEFO|A0A087XRP9
MANASPCMPSGAMSQVFFPPVGASPPGSAVMQTGPPISMPSMPPQAPFPMVDPTAGHVGMTMPSMICNPDGVSFIIQIGLTRESVLLPQTADLAYVKQVACSIVDTKFPECGFYGIYDKILLFKHDITSNNVLQRVKSTSDIQEGDLVEVVLSAAATFEDFQIRPHALNVHSYRAPAFCDHCGEMLFGLVRQGLKCDGCGLNYHKRCAFSIPNNCSGARKRRLSTTSLSSSQSLRLSTSESVYSVGTASTCSEETSLIRSHTQMPRTPSEARRFYTGRPVHLDKILMTKVKVPHTFAIHSYTRPTVCQYCKRLLRGLFRQGLQCKDCKFNCHKRCAYKVPNDCLGETIGDNRSNCDMLSPSADTEVPMDFSSEYDTSDKSSMDDSDEACSIPGSFSPDNNQDGTGGDQSANIPLMRVVQSVRQTTRRSSTAIKEGWMVHYSNKDTLRKRHYWRLDCKCIILFQNNTSNKYYKEIPLSEILEVRPATDFTLVPQGTNPHCFELVTGTMCYFVGEDPNTLPSLSTSNPQALPQTPPSPSMVQPNSGIGREVANAWECAIRQALMPVIFQDAPPAEGHTPHRQASISISVSNSQIQENVDIGTVYQIFADEVLGSGQFGVVYGGKHRKTGRDVAVKVIDKLRFPTKQESQLRNEVAILQSLRHLGIVNLECMFETPEKVFVVMEKLHGDMLEMILSSEKGRLPERLTKFLITQILAALRHLHFKNIVHCDLKPENVLLASADPFPQVKLCDFGFARIIGEKSFRRSVVGTPAYLAPEVLLNQGYNRSLDMWSVGVIMYVSLSGTFPFNEDEDINDQIQNAAFMYPVNPWKKISKDATDLINNLLQVKMRKRYSVDKSLSHSYLQDYQTWLDLRELETKLGERYITHESDDSRWQMYATKHKLSYPANYVPLPPASASDDDDGAEDSDMKGLTERVSIL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30.2	Very low	34.2	Very low	246 Å²	246	129 Å²	129	100%	1.212	83%	0.829	S	S	*	*				0	150.6	0	-75.5	168.7	163.5	0	0	108.5
2	A	30	Very low	33.8	Very low	86 Å²	86	126.9 Å²	126.9	71%	0.711	83%	0.831	S	S	*	*			trans	39.3	111.6	160.3	0	0	0	0	0	121.7
3	N	31.6	Very low	33.5	Very low	159 Å²	159	129.6 Å²	129.6	85%	0.85	83%	0.829	S	S	*	*				74.9	117.7	119.7	-61.5	5	0	0	0	124.1
4	A	31.3	Very low	33	Very low	99 Å²	99	129.1 Å²	129.1	82%	0.818	83%	0.83	S	S	*	*				82.6	137.3	120.3	0	0	0	0	0	122.5
5	S	32.5	Very low	32.7	Very low	108 Å²	108	130.3 Å²	130.3	76%	0.755	82%	0.821	S	S	*	*			trans	-83.1	167.9	170.6	-38.1	0	0	0	0	112.4
6	P	48.7	Very low	32.3	Very low	131 Å²	131	131.6 Å²	131.6	85%	0.851	83%	0.827	S	S	*	*				-140.4	-161.3	99	37.3	-21.7	0	0	0	114
7	C	29.6	Very low	32.1	Very low	111 Å²	111	134.1 Å²	134.1	75%	0.75	82%	0.823	S	S	*	*			trans	-123.3	147.6	-154.1	-54	0	0	0	0	116.4
8	M	30	Very low	32.2	Very low	179 Å²	179	137.8 Å²	137.8	88%	0.882	83%	0.826	S	S	*	*			trans	65.3	171.2	143	-72.8	-68.8	177.1	0	0	119.2
9	P	53.8	Low	32.5	Very low	106 Å²	106	136.7 Å²	136.7	69%	0.688	82%	0.823	S	S	*	*			cis	-130.9	-171.9	-10.8	31	-9.7	0	0	0	115.6
10	S	29.8	Very low	33.4	Very low	121 Å²	121	135.6 Å²	135.6	85%	0.846	82%	0.819	S	S	*	*			trans	100.5	139.1	157.2	-40.2	0	0	0	0	117.5
11	G	28.7	Very low	33.3	Very low	73 Å²	73	136 Å²	136	75%	0.753	82%	0.821	S	S	*	*			cis	174.9	-174.2	-6.1	0	0	0	0	0	114.5
12	A	29.5	Very low	33.3	Very low	104 Å²	104	127.6 Å²	127.6	86%	0.86	80%	0.798	S	S	*	*			trans	72.2	158.7	170.9	0	0	0	0	0	119.5
13	M	29.3	Very low	33.1	Very low	162 Å²	162	128.4 Å²	128.4	80%	0.798	81%	0.805	S	S	*	*			cis	-178.1	134.3	-48.5	-114.1	-82	-171	0	0	110.2
14	S	27.4	Very low	33	Very low	122 Å²	122	126.5 Å²	126.5	85%	0.853	80%	0.804	S	S	*	*			trans	-163.8	143.7	157.6	55.1	0	0	0	0	112.2
15	Q	27.8	Very low	33.9	Very low	147 Å²	147	127.4 Å²	127.4	69%	0.687	80%	0.802	S	S	*	*			trans	-134.4	154	-179.6	-66.7	-177.9	-16	0	0	110.9
16	V	26.8	Very low	34.8	Very low	152 Å²	152	128.2 Å²	128.2	92%	0.921	80%	0.804	S	S	*	*			trans	-143.3	150.9	158	-172.3	0	0	0	0	109.3
17	F	28.2	Very low	33.8	Very low	174 Å²	174	125.7 Å²	125.7	76%	0.763	80%	0.802	S	S	*	*			trans	-113.4	167.5	-171.6	-101.6	-105	0	0	0	114.2
18	F	33.3	Very low	33.7	Very low	200 Å²	200	126.5 Å²	126.5	88%	0.877	81%	0.809	S	S	*	*			trans	-90.6	157.6	172	-74.4	-92.8	0	0	0	113.8
19	P	39.3	Very low	33.7	Very low	117 Å²	117	122.2 Å²	122.2	76%	0.76	80%	0.802	S	S	*	*			trans	-131	172	144.9	23.3	-2.2	0	0	0	114.6
20	P	50.3	Low	32.6	Very low	114 Å²	114	123 Å²	123	74%	0.74	81%	0.805	S	S	*	*			trans	-139.2	-176.3	-149.2	39.6	-19	0	0	0	119
21	V	31.7	Very low	32.5	Very low	144 Å²	144	126.5 Å²	126.5	87%	0.873	81%	0.81	S	S	*	*			trans	70.8	140.1	164.2	-165.4	0	0	0	0	117.5
22	G	28.8	Very low	32.6	Very low	71 Å²	71	131.6 Å²	131.6	73%	0.732	82%	0.815	S	S	*	*			cis	153.1	142.5	-9.9	0	0	0	0	0	114.1
23	A	27.1	Very low	32.6	Very low	103 Å²	103	133.6 Å²	133.6	85%	0.851	82%	0.816	S	S	*	*			trans	-167.6	161.5	170.7	0	0	0	0	0	113.3
24	S	28.6	Very low	32.6	Very low	118 Å²	118	129.4 Å²	129.4	83%	0.825	81%	0.814	S	S	*	*			trans	-152.3	-172.6	-177.2	-36.3	0	0	0	0	110.1
25	P	50	Low	33	Very low	119 Å²	119	129.6 Å²	129.6	77%	0.773	81%	0.813	S	S	*	*			cis	-132.1	-139.3	-17.4	43.7	-24.1	0	0	0	109.7
26	P	51.5	Low	33.8	Very low	124 Å²	124	128.5 Å²	128.5	81%	0.805	82%	0.818	S	S	*	*			cis	-121.5	170.1	-40.4	35.7	-20.3	0	0	0	114.2
27	G	28	Very low	34	Very low	79 Å²	79	129.4 Å²	129.4	81%	0.814	82%	0.816	S	S	*	*			trans	-163.9	114.4	167.1	0	0	0	0	0	113.6
28	S	28.6	Very low	34	Very low	127 Å²	127	126.2 Å²	126.2	89%	0.888	82%	0.815	S	S	*	*			trans	-65.8	163.1	179.7	-61.7	0	0	0	0	113.9
29	A	29.9	Very low	34.2	Very low	90 Å²	90	125.5 Å²	125.5	74%	0.744	82%	0.817	S	S	*	*			cis	179.4	163.6	-14.8	0	0	0	0	0	107.6
30	V	29.2	Very low	33.9	Very low	123 Å²	123	126.1 Å²	126.1	75%	0.745	82%	0.821	S	S	*	*			cis	-161.5	149.9	-16.9	131.7	0	0	0	0	107	Q32	V30-Q32 HydrophobicContact CG1-CG 4.42Å
31	M	28.2	Very low	33	Very low	194 Å²	194	126.3 Å²	126.3	96%	0.956	83%	0.825	S	S	*	*			trans	-147.9	135.1	161.5	-148.4	179.7	-169.5	0	0	109
32	Q	30.2	Very low	33.1	Very low	180 Å²	180	128.3 Å²	128.3	84%	0.841	83%	0.827	S	S	*	*			trans	-113.7	145.8	-172.9	-72.8	-174.3	-12.3	0	0	113	V30	V30-Q32 HydrophobicContact CG1-CG 4.42Å
33	T	31.2	Very low	33.5	Very low	146 Å²	146	130.5 Å²	130.5	90%	0.896	83%	0.828	S	S	*	*			trans	-121.8	134.8	175.3	52.7	0	0	0	0	111
34	G	29.1	Very low	34.2	Very low	73 Å²	73	130.8 Å²	130.8	75%	0.753	82%	0.822	S	S	*	*			trans	-113.9	143	173	0	0	0	0	0	112.6
35	P	35.8	Very low	34.2	Very low	127 Å²	127	134.4 Å²	134.4	83%	0.825	83%	0.826	S	S	*	*			trans	-87.8	176.5	-179.4	37.2	-36.4	0	0	0	113.5
36	P	44.3	Very low	33.3	Very low	124 Å²	124	132.9 Å²	132.9	81%	0.805	82%	0.823	S	S	*	*			trans	-98.8	159.7	-152.3	37.9	-36.6	0	0	0	116.3
37	I	30.8	Very low	32.7	Very low	170 Å²	170	132.9 Å²	132.9	87%	0.872	82%	0.823	S	S	*	*			trans	-136.4	150.3	170.4	-62.6	-176.6	0	0	0	110.9
38	S	28.6	Very low	32.8	Very low	107 Å²	107	138.4 Å²	138.4	75%	0.748	83%	0.825	S	S	*	*			trans	-85.8	164.9	-173.7	50.5	0	0	0	0	115.9
39	M	36.8	Very low	33.2	Very low	186 Å²	186	138.3 Å²	138.3	92%	0.916	82%	0.821	S	S	*	*			trans	-66.4	149.7	172	-64.1	179.8	176.8	0	0	113.8
40	P	34.1	Very low	33	Very low	129 Å²	129	142.5 Å²	142.5	84%	0.838	83%	0.827	S	S	*	*			trans	-118.5	166	152.3	34.6	-22.2	0	0	0	113.4
41	S	30.1	Very low	33	Very low	118 Å²	118	142.8 Å²	142.8	83%	0.825	83%	0.829	S	S	*	*			trans	-97.9	166.5	-171.2	52.1	0	0	0	0	115.3
42	M	33.6	Very low	32.9	Very low	186 Å²	186	140.3 Å²	140.3	92%	0.916	82%	0.82	S	S	*	*			trans	-81.1	148.1	172.3	-79.9	-169.9	159.8	0	0	114.2
43	P	38.1	Very low	33.7	Very low	117 Å²	117	136.7 Å²	136.7	76%	0.76	81%	0.812	S	S	*	*			trans	-108.9	-176.6	173	47.1	-38.2	0	0	0	111.3
44	P	41.4	Very low	33.5	Very low	110 Å²	110	136.8 Å²	136.8	71%	0.714	81%	0.812	S	S	*	*				-133.2	177.8	-119.7	30.3	-5.1	0	0	0	117.3
45	Q	29.3	Very low	33.5	Very low	194 Å²	194	137.8 Å²	137.8	91%	0.907	81%	0.814	S	S	*	*			trans	37.8	151.5	147	-64.5	-178	-10.1	0	0	121
46	A	31.1	Very low	33.1	Very low	86 Å²	86	135.2 Å²	135.2	71%	0.711	81%	0.81	S	S	*	*			cis	-154.9	-150.1	24.8	0	0	0	0	0	110.9
47	P	38.9	Very low	32.4	Very low	124 Å²	124	138.1 Å²	138.1	81%	0.805	81%	0.813	S	S	*	*				-122.9	-179.6	-84.4	37.8	-21.3	0	0	0	115.2
48	F	30.6	Very low	32.3	Very low	196 Å²	196	136.8 Å²	136.8	86%	0.86	81%	0.812	S	S	*	*			trans	-77.6	157.7	171.9	-59.5	-94.4	0	0	0	114.1
49	P	35.2	Very low	32.3	Very low	124 Å²	124	135 Å²	135	81%	0.805	81%	0.81	S	S	*	*			trans	-87.8	158.9	147.4	34.6	-28.8	0	0	0	112.4
50	M	26.8	Very low	32	Very low	178 Å²	178	134.8 Å²	134.8	88%	0.877	81%	0.809	S	S	*	*			trans	-115.6	-170	-178.2	-76.5	-175.1	163.7	0	0	112.1
51	V	29.6	Very low	31.7	Very low	129 Å²	129	135.2 Å²	135.2	78%	0.782	81%	0.81	S	S	*	*			trans	83.8	129.1	159.2	-173	0	0	0	0	115
52	D	25	Very low	31.7	Very low	143 Å²	143	137.7 Å²	137.7	77%	0.765	81%	0.81	S	S	*	*			cis	-157.7	169.2	-17.3	-116.3	-12.3	0	0	0	110.3
53	P	48.3	Very low	31.7	Very low	104 Å²	104	134.2 Å²	134.2	68%	0.675	80%	0.802	S	S	*	*			trans	-97.7	143.2	177.1	37.1	-32.4	0	0	0	114.2
54	T	26.6	Very low	31.6	Very low	147 Å²	147	133.8 Å²	133.8	90%	0.902	80%	0.801	S	S	*	*			trans	172.2	157.1	156.9	24.3	0	0	0	0	108.2
55	A	28.6	Very low	31.1	Very low	95 Å²	95	137.1 Å²	137.1	79%	0.785	81%	0.809	S	S	*	*			cis	-162.5	173.3	-15.9	0	0	0	0	0	108.7
56	G	27.7	Very low	31.5	Very low	72 Å²	72	135 Å²	135	74%	0.742	80%	0.803	S	S	*	*			trans	83.1	108.7	174.7	0	0	0	0	0	113.2
57	H	28.4	Very low	31.5	Very low	186 Å²	186	136.9 Å²	136.9	86%	0.861	81%	0.809	S	S	*	*			cis	79.4	130.2	37.3	-134.3	82.2	0	0	0	114.3
58	V	30.6	Very low	31.5	Very low	142 Å²	142	136.7 Å²	136.7	86%	0.861	80%	0.802	S	S	*	*			trans	75.6	135.8	175.9	-164.8	0	0	0	0	117.7
59	G	26.8	Very low	32.4	Very low	69 Å²	69	131.8 Å²	131.8	71%	0.711	79%	0.789	S	S	*	*			trans	124	84.7	144.6	0	0	0	0	0	117.7	T61	G59-T61 PolarHBondContact O-N 3.09Å
60	M	30.8	Very low	33.9	Very low	182 Å²	182	132 Å²	132	90%	0.897	78%	0.784	S	S	*	*			trans	-52.8	131.6	171.1	-61.7	164.4	61.3	0	0	114
61	T	28.7	Very low	36.2	Very low	137 Å²	137	124.5 Å²	124.5	84%	0.84	75%	0.752	S	S	*	*				-171.5	139.3	120.3	15.7	0	0	0	0	111.8	G59	G59-T61 PolarHBondContact O-N 3.09Å
62	M	29.1	Very low	38.8	Very low	171 Å²	171	120.7 Å²	120.7	84%	0.842	73%	0.729	S	S	*	*			trans	-83.8	137.1	165.5	-73.8	-81.3	-77.1	0	0	109.3
63	P	33.1	Very low	41.8	Very low	113 Å²	113	115.8 Å²	115.8	73%	0.734	71%	0.706	S	S	*	*				-108.1	140.8	128	-14.2	31.3	0	0	0	111.3	M65	P63-M65 PolarHBondContact O-N 3.06Å
64	S	37.3	Very low	43.9	Very low	107 Å²	107	110.9 Å²	110.9	75%	0.748	67%	0.674	S	S	*	*			trans	-69.3	115.1	176.5	51.2	0	0	0	0	111.7
65	M	29.9	Very low	47	Very low	180 Å²	180	107 Å²	107	89%	0.887	65%	0.647	S	S	*	*			trans	-92.8	124.6	161.1	-76.8	-69.2	-179.7	0	0	109.4	P63	P63-M65 PolarHBondContact O-N 3.06Å
66	I	38.2	Very low	50.1	Low	151 Å²	151	102.6 Å²	102.6	77%	0.774	61%	0.61	S	S	*	*			trans	-75.7	121.4	168	-64.3	167.5	0	0	0	106.8
67	C	31.9	Very low	53.1	Low	124 Å²	124	100.1 Å²	100.1	84%	0.838	58%	0.579	S	S	*	*			trans	-97.2	109.3	173	-161.4	0	0	0	0	108.2
68	N	38.8	Very low	55.9	Low	121 Å²	121	92.2 Å²	92.2	65%	0.647	54%	0.543	S	S	*	.			trans	-67.8	141	175.6	-76.1	-2	0	0	0	109.9	D70	N68-D70 PolarHBondContact O-N 3.19Å
69	P	49.7	Very low	58.4	Low	93 Å²	93	87.8 Å²	87.8	60%	0.604	53%	0.526	S	S	*	.			trans	-75.1	117.4	165.6	30.4	-31	0	0	0	108.8	G71 L86	P69-G71 PolarHBondContact O-N 3.06Å; P69-L86 HydrophobicContact CB-CD2 4.11Å; P69-L86 HydrophobicContact CG-CD2 4.32Å
70	D	66.2	Low	60.9	Low	129 Å²	129	93 Å²	93	69%	0.69	54%	0.537	S	S	*	.	S	Bend	trans	-66.9	92.2	-179.6	-85.6	-51.9	0	0	0	112.7	N68 Q89	N68-D70 PolarHBondContact O-N 3.19Å; D70-Q89 PolarHBondContact OD1-NE2 3.13Å
71	G	75.1	Confident	63.3	Low	20 Å²	20	86.1 Å²	86.1	21%	0.206	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.1	161.6	176.5	0	0	0	0	0	112.6	P69 L87	P69-G71 PolarHBondContact O-N 3.06Å; G71-L87 CarbonylContact C-O 3.52Å; G71-L87 WeakPolarHBondContact CA-O 3.14Å
72	V	84.4	Confident	66.2	Low	48 Å²	48	86.5 Å²	86.5	29%	0.291	49%	0.491	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	118	179.7	-179.7	0	0	0	0	109.4	L87 Q143 E144	V72-L87 HydrophobicContact CB-CB 4.3Å; V72-L87 PolarHBondContact N-O 3.22Å; V72-L87 WeakPolarHBondContact O-CB 3.3Å; V72-L87 PolarHBondContact O-N 3.09Å; V72-Q143 VanDerWaalsContact CG1-C 3.42Å; V72-E144 HydrophobicContact CG1-CB 4.29Å
73	S	87.5	Confident	69.2	Low	41 Å²	41	81 Å²	81	29%	0.287	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	121.9	176.5	-171.8	0	0	0	0	110.9	E144 G145	S73-E144 CarbonylContact O-C 3.52Å; S73-E144 WeakPolarHBondContact O-CA 3.35Å; S73-G145 PolarHBondContact O-N 2.88Å
74	F	92.7	Very high	71.9	Confident	1 Å²	1	79.9 Å²	79.9	0%	0.004	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	169.7	177.9	75.9	-79	0	0	0	111.4	I76 S84 V85 L87 V96 I142 D146 V148	F74-I76 HydrophobicContact CE2-CB 4.08Å; F74-I76 HydrophobicContact CE2-CG1 4.49Å; F74-S84 WeakPolarHBondContact O-CA 3.18Å; F74-V85 HydrophobicContact CD1-CB 4.16Å; F74-V85 HydrophobicContact CD1-CG1 4.38Å; F74-V85 VanDerWaalsContact CD1-O 3.31Å; F74-V85 WeakPolarHBondContact CD1-O 3.23Å; F74-V85 HydrophobicContact CE1-CB 3.63Å; F74-V85 HydrophobicContact CE1-CG1 3.5Å; F74-V85 VanDerWaalsContact CE1-CG1 3.5Å; F74-V85 HydrophobicContact CE2-CB 4.37Å; F74-V85 HydrophobicContact CZ-CB 3.75Å; F74-V85 HydrophobicContact CZ-CG1 3.73Å; F74-V85 HydrophobicContact CZ-CG2 4.39Å; F74-V85 PolarHBondContact N-O 3.46Å; F74-V85 PolarHBondContact O-N 3.4Å; F74-L87 HydrophobicContact CD1-CB 4.19Å; F74-L87 HydrophobicContact CE1-CB 3.96Å; F74-V96 HydrophobicContact CE2-CG1 4.48Å; F74-V96 HydrophobicContact CZ-CG1 4.04Å; F74-I142 HydrophobicContact CB-CG2 3.81Å; F74-I142 HydrophobicContact CD1-CG2 3.98Å; F74-I142 HydrophobicContact CD2-CG2 4.12Å; F74-I142 HydrophobicContact CG-CG2 3.7Å; F74-D146 HydrophobicContact CB-CB 4.35Å; F74-V148 HydrophobicContact CD2-CB 4.01Å; F74-V148 HydrophobicContact CD2-CG2 3.7Å; F74-V148 HydrophobicContact CE2-CB 4Å; F74-V148 HydrophobicContact CE2-CG2 4.02Å
75	I	92	Very high	74.3	Confident	66 Å²	66	75.4 Å²	75.4	34%	0.338	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.7	178.2	-57	176.5	0	0	0	108.7	R82 E83 D146 L147 V148	I75-R82 HydrophobicContact CG2-CB 3.96Å; I75-R82 HydrophobicContact CG2-CG 4.31Å; I75-E83 CarbonylContact C-O 3.56Å; I75-E83 WeakPolarHBondContact CA-O 3.11Å; I75-D146 PolarHBondContact N-O 2.85Å; I75-L147 HydrophobicContact CB-CD1 3.96Å; I75-L147 HydrophobicContact CG2-CD1 3.63Å; I75-L147 WeakPolarHBondContact O-CA 3.26Å; I75-V148 PolarHBondContact O-N 3.3Å
76	I	93.1	Very high	77.1	Confident	2 Å²	2	70.6 Å²	70.6	1%	0.01	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	130.1	173.4	-160.8	168.2	0	0	0	110.3	F74 R82 E83 V85 A100 I103 V148 V150	F74-I76 HydrophobicContact CE2-CB 4.08Å; F74-I76 HydrophobicContact CE2-CG1 4.49Å; I76-R82 WeakPolarHBondContact O-CA 3.25Å; I76-E83 HydrophobicContact CG2-CB 4.16Å; I76-E83 PolarHBondContact N-O 3.44Å; I76-E83 PolarHBondContact O-N 3.22Å; I76-V85 HydrophobicContact CB-CG2 4.15Å; I76-V85 HydrophobicContact CG2-CG2 3.59Å; I76-A100 HydrophobicContact CD1-CB 3.86Å; I76-I103 HydrophobicContact CG2-CD1 3.44Å; I76-I103 VanDerWaalsContact CG2-CD1 3.44Å; I76-V148 CarbonylContact C-O 3.56Å; I76-V148 VanDerWaalsContact CA-O 3.31Å; I76-V148 WeakPolarHBondContact CA-O 3.26Å; I76-V150 HydrophobicContact CD1-CG2 3.62Å; I76-V150 HydrophobicContact CG1-CG2 3.54Å
77	Q	91.3	Very high	79.4	Confident	20 Å²	20	63.8 Å²	63.8	9%	0.093	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.3	178.7	178.8	168.8	-68.4	0	0	110.8	G79 T81 R82 L147 V148 E149 V150	Q77-G79 VanDerWaalsContact CG-O 3.29Å; Q77-G79 WeakPolarHBondContact CG-O 3.34Å; Q77-T81 CarbonylContact C-O 3.58Å; Q77-T81 WeakPolarHBondContact CA-O 3.36Å; Q77-R82 HydrophobicContact CB-CG 4.22Å; Q77-R82 HydrophobicContact CG-CG 4.26Å; Q77-L147 HydrophobicContact CB-CD1 3.98Å; Q77-V148 PolarHBondContact N-O 3.25Å; Q77-E149 HydrophobicContact CB-CB 4.42Å; Q77-E149 HydrophobicContact CG-CG 4.48Å; Q77-E149 VanDerWaalsContact NE2-CD 3.32Å; Q77-E149 PolarHBondContact NE2-OE1 3.26Å; Q77-V150 PolarHBondContact O-N 3.36Å
78	I	87.3	Confident	82	Confident	19 Å²	19	60 Å²	60	10%	0.097	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	99.9	175.1	-45.5	-169.5	0	0	0	107.7	L80 T81 A100 I103 V104 V150	I78-L80 PolarHBondContact O-N 2.86Å; I78-T81 PolarHBondContact N-O 2.66Å; I78-T81 PolarHBondContact O-N 3.26Å; I78-A100 HydrophobicContact CD1-CB 4.45Å; I78-I103 HydrophobicContact CD1-CB 4.14Å; I78-I103 HydrophobicContact CD1-CG2 3.87Å; I78-V104 HydrophobicContact CD1-CG2 3.7Å; I78-V104 HydrophobicContact CG2-CG2 3.91Å; I78-V150 HydrophobicContact CD1-CG2 4.18Å; I78-V150 HydrophobicContact CG1-CB 4.06Å; I78-V150 HydrophobicContact CG1-CG2 3.82Å
79	G	82.4	Confident	83.7	Confident	49 Å²	49	61.3 Å²	61.3	51%	0.505	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	-119.9	-168.4	0	0	0	0	0	111	Q77	Q77-G79 VanDerWaalsContact CG-O 3.29Å; Q77-G79 WeakPolarHBondContact CG-O 3.34Å
80	L	79.2	Confident	85	Confident	180 Å²	180	63.5 Å²	63.5	94%	0.942	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-8	177.5	-59.4	179.8	0	0	0	113.9	I78	I78-L80 PolarHBondContact O-N 2.86Å
81	T	81.5	Confident	85.6	Confident	36 Å²	36	58.1 Å²	58.1	22%	0.221	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	139.8	-178.9	-63.3	0	0	0	0	110.8	Q77 I78 E83 F108	Q77-T81 CarbonylContact C-O 3.58Å; Q77-T81 WeakPolarHBondContact CA-O 3.36Å; I78-T81 PolarHBondContact N-O 2.66Å; I78-T81 PolarHBondContact O-N 3.26Å; T81-E83 HydrophobicContact CG2-CG 4.46Å; T81-E83 WeakPolarHBondContact CG2-OE1 3.11Å; T81-F108 WeakPolarHBondContact OG1-CZ 3.37Å
82	R	90.7	Very high	86	Confident	145 Å²	145	61.5 Å²	61.5	55%	0.547	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	130.1	176.5	-69.2	179.3	177	177.5	-3.1	110.1	I75 I76 Q77	I75-R82 HydrophobicContact CG2-CB 3.96Å; I75-R82 HydrophobicContact CG2-CG 4.31Å; I76-R82 WeakPolarHBondContact O-CA 3.25Å; Q77-R82 HydrophobicContact CB-CG 4.22Å; Q77-R82 HydrophobicContact CG-CG 4.26Å
83	E	90.3	Very high	86	Confident	56 Å²	56	61.1 Å²	61.1	26%	0.262	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	150.1	173.7	-54.8	-63	133.8	0	0	110	I75 I76 T81 I103 K107	I75-E83 CarbonylContact C-O 3.56Å; I75-E83 WeakPolarHBondContact CA-O 3.11Å; I76-E83 HydrophobicContact CG2-CB 4.16Å; I76-E83 PolarHBondContact N-O 3.44Å; I76-E83 PolarHBondContact O-N 3.22Å; T81-E83 HydrophobicContact CG2-CG 4.46Å; T81-E83 WeakPolarHBondContact CG2-OE1 3.11Å; E83-I103 HydrophobicContact CB-CD1 4.07Å; E83-I103 HydrophobicContact CG-CD1 4.21Å; E83-I103 HydrophobicContact CG-CG1 4.42Å; E83-I103 HydrophobicContact CG-CG2 3.82Å; E83-K107 VanDerWaalsContact OE1-CE 3.3Å; E83-K107 WeakPolarHBondContact OE1-CE 3.44Å; E83-K107 IonicContact OE1-NZ 2.72Å; E83-K107 PolarHBondContact OE1-NZ 3.43Å; E83-K107 IonicContact OE2-NZ 3.38Å; E83-K107 PolarHBondContact OE2-NZ 2.66Å
84	S	90.3	Very high	85.8	Confident	90 Å²	90	60.8 Å²	60.8	63%	0.629	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.9	171.3	-178.4	0	0	0	0	110	F74	F74-S84 WeakPolarHBondContact O-CA 3.18Å
85	V	88.7	Confident	85.4	Confident	12 Å²	12	65 Å²	65	7%	0.073	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128	-178.2	179.6	0	0	0	0	108.8	F74 I76 V99 I103	F74-V85 HydrophobicContact CD1-CB 4.16Å; F74-V85 HydrophobicContact CD1-CG1 4.38Å; F74-V85 VanDerWaalsContact CD1-O 3.31Å; F74-V85 WeakPolarHBondContact CD1-O 3.23Å; F74-V85 HydrophobicContact CE1-CB 3.63Å; F74-V85 HydrophobicContact CE1-CG1 3.5Å; F74-V85 VanDerWaalsContact CE1-CG1 3.5Å; F74-V85 HydrophobicContact CE2-CB 4.37Å; F74-V85 HydrophobicContact CZ-CB 3.75Å; F74-V85 HydrophobicContact CZ-CG1 3.73Å; F74-V85 HydrophobicContact CZ-CG2 4.39Å; F74-V85 PolarHBondContact N-O 3.46Å; F74-V85 PolarHBondContact O-N 3.4Å; I76-V85 HydrophobicContact CB-CG2 4.15Å; I76-V85 HydrophobicContact CG2-CG2 3.59Å; V85-V99 HydrophobicContact CG1-CG1 3.92Å; V85-V99 HydrophobicContact CG2-CG1 3.78Å; V85-I103 HydrophobicContact CG2-CD1 4.21Å
86	L	88.7	Confident	85.1	Confident	80 Å²	80	61.9 Å²	61.9	42%	0.419	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	120.8	168.1	-176.3	66.8	0	0	0	108.8	P69 P88	P69-L86 HydrophobicContact CB-CD2 4.11Å; P69-L86 HydrophobicContact CG-CD2 4.32Å; L86-P88 WeakPolarHBondContact O-CD 3.43Å
87	L	86.5	Confident	84.7	Confident	8 Å²	8	63.2 Å²	63.2	4%	0.042	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	114	177.9	-170.4	62.2	0	0	0	110.3	G71 V72 F74 A91 Y95 V96 T139 I142	G71-L87 CarbonylContact C-O 3.52Å; G71-L87 WeakPolarHBondContact CA-O 3.14Å; V72-L87 HydrophobicContact CB-CB 4.3Å; V72-L87 PolarHBondContact N-O 3.22Å; V72-L87 WeakPolarHBondContact O-CB 3.3Å; V72-L87 PolarHBondContact O-N 3.09Å; F74-L87 HydrophobicContact CD1-CB 4.19Å; F74-L87 HydrophobicContact CE1-CB 3.96Å; L87-A91 HydrophobicContact CD1-CB 3.61Å; L87-A91 HydrophobicContact CG-CB 4.26Å; L87-Y95 HydrophobicContact CD1-CD1 3.92Å; L87-Y95 HydrophobicContact CD1-CE1 4.33Å; L87-V96 HydrophobicContact CD1-CG2 3.68Å; L87-T139 HydrophobicContact CD1-CG2 4.29Å; L87-T139 HydrophobicContact CD2-CG2 3.91Å; L87-I142 HydrophobicContact CD2-CB 4.5Å; L87-I142 HydrophobicContact CD2-CD1 4.35Å
88	P	86.1	Confident	84.3	Confident	45 Å²	45	68.1 Å²	68.1	29%	0.292	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	144.3	173.3	-21.3	32.9	0	0	0	111.3	L86 T90 A91 Y95	L86-P88 WeakPolarHBondContact O-CD 3.43Å; P88-T90 PolarHBondContact O-N 2.71Å; P88-A91 HydrophobicContact CB-CB 4.35Å; P88-A91 HydrophobicContact CG-CB 4.48Å; P88-A91 VanDerWaalsContact O-CB 3.26Å; P88-A91 WeakPolarHBondContact O-CB 3.47Å; P88-A91 PolarHBondContact O-N 2.77Å; P88-Y95 HydrophobicContact CG-CE1 4.34Å
89	Q	74.9	Confident	84.2	Confident	147 Å²	147	68.5 Å²	68.5	69%	0.687	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.4	-179.9	-64.3	-177.7	7.7	0	0	114.2	D70	D70-Q89 PolarHBondContact OD1-NE2 3.13Å
90	T	76.2	Confident	84.3	Confident	140 Å²	140	66.2 Å²	66.2	86%	0.859	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.2	2.5	177.2	51.9	0	0	0	0	114.2	P88	P88-T90 PolarHBondContact O-N 2.71Å
91	A	79.1	Confident	84.3	Confident	15 Å²	15	58.5 Å²	58.5	12%	0.124	31%	0.309	C	S	.	.			trans	-86	146	-174.7	0	0	0	0	0	113.6	L87 P88 Y95 T139	L87-A91 HydrophobicContact CD1-CB 3.61Å; L87-A91 HydrophobicContact CG-CB 4.26Å; P88-A91 HydrophobicContact CB-CB 4.35Å; P88-A91 HydrophobicContact CG-CB 4.48Å; P88-A91 VanDerWaalsContact O-CB 3.26Å; P88-A91 WeakPolarHBondContact O-CB 3.47Å; P88-A91 PolarHBondContact O-N 2.77Å; A91-Y95 HydrophobicContact CB-CD1 3.7Å; A91-Y95 HydrophobicContact CB-CE1 4.35Å; A91-Y95 HydrophobicContact CB-CG 3.91Å; A91-T139 WeakPolarHBondContact O-CB 3.48Å; A91-T139 PolarHBondContact O-OG1 2.87Å
92	D	84.1	Confident	84.1	Confident	91 Å²	91	60 Å²	60	49%	0.487	32%	0.321	S	S	.	.			trans	-108	-179.3	178	70	-5.9	0	0	0	112.1	A94 Y95 V96 T139	D92-A94 PolarHBondContact O-N 3.48Å; D92-A94 WeakPolarHBondContact OD1-CB 3.46Å; D92-A94 PolarHBondContact OD1-N 2.96Å; D92-A94 WeakPolarHBondContact OD2-CB 3.23Å; D92-Y95 WeakPolarHBondContact O-CB 3.41Å; D92-Y95 PolarHBondContact O-N 3.21Å; D92-Y95 PolarHBondContact OD1-N 3.12Å; D92-V96 PolarHBondContact O-N 2.81Å; D92-T139 WeakPolarHBondContact O-CG2 3.31Å
93	L	84.4	Confident	83.6	Confident	41 Å²	41	54.2 Å²	54.2	22%	0.215	30%	0.3	C	S	.	.	H	α-helix	trans	-66.7	-24.8	180	-161.1	68.4	0	0	0	112.2	V96 K97 L122 V136	L93-V96 PolarHBondContact O-N 2.77Å; L93-K97 WeakPolarHBondContact O-CG 3.27Å; L93-K97 PolarHBondContact O-N 3.08Å; L93-K97 VanDerWaalsContact O-N 3.08Å; L93-L122 HydrophobicContact CD1-CD1 3.64Å; L93-L122 HydrophobicContact CG-CD1 4.11Å; L93-V136 HydrophobicContact CD1-CB 4.34Å; L93-V136 HydrophobicContact CD1-CG1 3.5Å; L93-V136 VanDerWaalsContact CD1-CG1 3.5Å
94	A	81.4	Confident	82.8	Confident	33 Å²	33	51.6 Å²	51.6	27%	0.273	29%	0.288	S	S	.	.	H	α-helix	trans	-66.8	-39.5	175.6	0	0	0	0	0	111.4	D92 K97 Q98 Y117	D92-A94 PolarHBondContact O-N 3.48Å; D92-A94 WeakPolarHBondContact OD1-CB 3.46Å; D92-A94 PolarHBondContact OD1-N 2.96Å; D92-A94 WeakPolarHBondContact OD2-CB 3.23Å; A94-K97 PolarHBondContact O-N 2.92Å; A94-Q98 WeakPolarHBondContact O-CB 3.47Å; A94-Q98 PolarHBondContact O-N 3.19Å; A94-Y117 WeakPolarHBondContact CA-OH 3.49Å; A94-Y117 WeakPolarHBondContact CB-OH 3.36Å; A94-Y117 PolarHBondContact O-OH 3.14Å
95	Y	84.2	Confident	81.7	Confident	89 Å²	89	51.6 Å²	51.6	35%	0.349	28%	0.281	S	S	.	.	H	α-helix	trans	-60	-46.7	170.6	-176.8	-96.9	0	0	0	112.2	L87 P88 A91 D92 K97 Q98 V99	L87-Y95 HydrophobicContact CD1-CD1 3.92Å; L87-Y95 HydrophobicContact CD1-CE1 4.33Å; P88-Y95 HydrophobicContact CG-CE1 4.34Å; A91-Y95 HydrophobicContact CB-CD1 3.7Å; A91-Y95 HydrophobicContact CB-CE1 4.35Å; A91-Y95 HydrophobicContact CB-CG 3.91Å; D92-Y95 WeakPolarHBondContact O-CB 3.41Å; D92-Y95 PolarHBondContact O-N 3.21Å; D92-Y95 PolarHBondContact OD1-N 3.12Å; Y95-K97 VanDerWaalsContact C-N 3.35Å; Y95-K97 PolarHBondContact O-N 2.93Å; Y95-Q98 WeakPolarHBondContact O-CB 3.35Å; Y95-Q98 PolarHBondContact O-N 2.85Å; Y95-V99 HydrophobicContact CD1-CG2 4.17Å; Y95-V99 HydrophobicContact CE1-CG2 3.82Å; Y95-V99 WeakPolarHBondContact O-CG2 3.34Å; Y95-V99 PolarHBondContact O-N 2.7Å
96	V	85.9	Confident	80.8	Confident	1 Å²	1	55.8 Å²	55.8	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-61	-42.6	179.2	-177.3	0	0	0	0	111.6	F74 L87 D92 L93 Q98 V99 A100 L122 T139 I142	F74-V96 HydrophobicContact CE2-CG1 4.48Å; F74-V96 HydrophobicContact CZ-CG1 4.04Å; L87-V96 HydrophobicContact CD1-CG2 3.68Å; D92-V96 PolarHBondContact O-N 2.81Å; L93-V96 PolarHBondContact O-N 2.77Å; V96-Q98 VanDerWaalsContact C-N 3.32Å; V96-Q98 PolarHBondContact O-N 3Å; V96-V99 PolarHBondContact O-N 3.01Å; V96-A100 PolarHBondContact O-N 3.23Å; V96-L122 HydrophobicContact CB-CD1 4.01Å; V96-L122 HydrophobicContact CG1-CD1 3.6Å; V96-L122 HydrophobicContact CG1-CD2 4.35Å; V96-T139 HydrophobicContact CG2-CG2 3.85Å; V96-I142 HydrophobicContact CG2-CD1 4.18Å
97	K	86.2	Confident	79.8	Confident	31 Å²	31	56.5 Å²	56.5	14%	0.135	31%	0.307	C	S	.	.	H	α-helix	trans	-61.7	-37.8	172.7	-72.6	-174.6	168	-151.9	0	112.9	L93 A94 Y95 A100 C101 Y117 D118 I120 L122	L93-K97 WeakPolarHBondContact O-CG 3.27Å; L93-K97 PolarHBondContact O-N 3.08Å; L93-K97 VanDerWaalsContact O-N 3.08Å; A94-K97 PolarHBondContact O-N 2.92Å; Y95-K97 VanDerWaalsContact C-N 3.35Å; Y95-K97 PolarHBondContact O-N 2.93Å; K97-A100 WeakPolarHBondContact O-CB 3.31Å; K97-A100 PolarHBondContact O-N 3.36Å; K97-C101 PolarHBondContact O-N 3.15Å; K97-C101 VanDerWaalsContact O-N 3.08Å; K97-C101 PolarHBondContact O-SG 3.23Å; K97-Y117 HydrophobicContact CB-CD2 4.14Å; K97-Y117 HydrophobicContact CB-CE2 3.62Å; K97-Y117 WeakPolarHBondContact CD-O 3.14Å; K97-Y117 PolarHBondContact NZ-O 3.47Å; K97-D118 PolarHBondContact NZ-O 3.16Å; K97-I120 HydrophobicContact CD-CB 4.47Å; K97-I120 WeakPolarHBondContact CE-O 3.18Å; K97-I120 HydrophobicContact CG-CB 4.47Å; K97-I120 HydrophobicContact CG-CG2 4.09Å; K97-I120 PolarHBondContact NZ-O 3.16Å; K97-L122 HydrophobicContact CG-CD1 4.09Å
98	Q	82.4	Confident	78.8	Confident	122 Å²	122	59.1 Å²	59.1	57%	0.57	32%	0.318	S	S	*	.	H	α-helix	trans	-68	-39.1	178.4	-171.1	178.4	6	0	0	111.6	A94 Y95 V96 C101 S102 Y117	A94-Q98 WeakPolarHBondContact O-CB 3.47Å; A94-Q98 PolarHBondContact O-N 3.19Å; Y95-Q98 WeakPolarHBondContact O-CB 3.35Å; Y95-Q98 PolarHBondContact O-N 2.85Å; V96-Q98 VanDerWaalsContact C-N 3.32Å; V96-Q98 PolarHBondContact O-N 3Å; Q98-C101 PolarHBondContact O-N 3.3Å; Q98-S102 PolarHBondContact O-N 3.24Å; Q98-Y117 HydrophobicContact CB-CE2 4.3Å
99	V	85.4	Confident	77.3	Confident	28 Å²	28	60.9 Å²	60.9	17%	0.17	33%	0.329	C	S	.	.	H	α-helix	trans	-62.4	-44.5	172.6	174	0	0	0	0	110.9	V85 Y95 V96 C101 S102 I103	V85-V99 HydrophobicContact CG1-CG1 3.92Å; V85-V99 HydrophobicContact CG2-CG1 3.78Å; Y95-V99 HydrophobicContact CD1-CG2 4.17Å; Y95-V99 HydrophobicContact CE1-CG2 3.82Å; Y95-V99 WeakPolarHBondContact O-CG2 3.34Å; Y95-V99 PolarHBondContact O-N 2.7Å; V96-V99 PolarHBondContact O-N 3.01Å; V99-C101 VanDerWaalsContact C-N 3.35Å; V99-C101 PolarHBondContact O-N 2.72Å; V99-S102 PolarHBondContact O-N 2.81Å; V99-I103 HydrophobicContact CG1-CD1 3.78Å; V99-I103 HydrophobicContact CG1-CG1 4.41Å; V99-I103 WeakPolarHBondContact O-CG1 3.27Å; V99-I103 PolarHBondContact O-N 2.86Å
100	A	84.3	Confident	76	Confident	0 Å²	0	59 Å²	59	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-56.6	-44.5	174.7	0	0	0	0	0	112.8	I76 I78 V96 K97 I103 V104 V150	I76-A100 HydrophobicContact CD1-CB 3.86Å; I78-A100 HydrophobicContact CD1-CB 4.45Å; V96-A100 PolarHBondContact O-N 3.23Å; K97-A100 WeakPolarHBondContact O-CB 3.31Å; K97-A100 PolarHBondContact O-N 3.36Å; A100-I103 PolarHBondContact O-N 2.97Å; A100-V104 PolarHBondContact O-N 3.15Å; A100-V150 HydrophobicContact CB-CG1 4.12Å; A100-V150 HydrophobicContact CB-CG2 3.87Å
101	C	78.1	Confident	75	Confident	18 Å²	18	55.6 Å²	55.6	12%	0.122	30%	0.301	C	S	.	.	H	α-helix	trans	-61.2	-47.6	175.2	-60.4	0	0	0	0	111.6	K97 Q98 V99 I103 V104 D105 I120	K97-C101 PolarHBondContact O-N 3.15Å; K97-C101 VanDerWaalsContact O-N 3.08Å; K97-C101 PolarHBondContact O-SG 3.23Å; Q98-C101 PolarHBondContact O-N 3.3Å; V99-C101 VanDerWaalsContact C-N 3.35Å; V99-C101 PolarHBondContact O-N 2.72Å; C101-I103 VanDerWaalsContact C-N 3.27Å; C101-I103 PolarHBondContact O-N 3.44Å; C101-V104 PolarHBondContact O-N 2.99Å; C101-V104 VanDerWaalsContact O-N 3.11Å; C101-D105 PolarHBondContact O-N 3.1Å; C101-I120 WeakPolarHBondContact SG-CD1 3.4Å
102	S	78.6	Confident	73.8	Confident	68 Å²	68	56.3 Å²	56.3	48%	0.476	31%	0.311	S	S	.	.	H	α-helix	trans	-61	-33.6	180	-170	0	0	0	0	113.1	Q98 V99 T106	Q98-S102 PolarHBondContact O-N 3.24Å; V99-S102 PolarHBondContact O-N 2.81Å; S102-T106 WeakPolarHBondContact O-CB 3.18Å; S102-T106 PolarHBondContact O-N 2.91Å; S102-T106 PolarHBondContact O-OG1 3.24Å
103	I	80.5	Confident	72.6	Confident	23 Å²	23	53.6 Å²	53.6	12%	0.118	30%	0.295	C	S	.	.	H	α-helix	trans	-68.6	-43.8	174.6	-69.9	165.5	0	0	0	110.5	I76 I78 E83 V85 V99 A100 C101 T106 K107	I76-I103 HydrophobicContact CG2-CD1 3.44Å; I76-I103 VanDerWaalsContact CG2-CD1 3.44Å; I78-I103 HydrophobicContact CD1-CB 4.14Å; I78-I103 HydrophobicContact CD1-CG2 3.87Å; E83-I103 HydrophobicContact CB-CD1 4.07Å; E83-I103 HydrophobicContact CG-CD1 4.21Å; E83-I103 HydrophobicContact CG-CG1 4.42Å; E83-I103 HydrophobicContact CG-CG2 3.82Å; V85-I103 HydrophobicContact CG2-CD1 4.21Å; V99-I103 HydrophobicContact CG1-CD1 3.78Å; V99-I103 HydrophobicContact CG1-CG1 4.41Å; V99-I103 WeakPolarHBondContact O-CG1 3.27Å; V99-I103 PolarHBondContact O-N 2.86Å; A100-I103 PolarHBondContact O-N 2.97Å; C101-I103 VanDerWaalsContact C-N 3.27Å; C101-I103 PolarHBondContact O-N 3.44Å; I103-T106 PolarHBondContact O-N 2.88Å; I103-K107 HydrophobicContact CG2-CG 4.08Å; I103-K107 WeakPolarHBondContact O-CB 3.44Å; I103-K107 VanDerWaalsContact O-CG 3.3Å; I103-K107 WeakPolarHBondContact O-CG 3.41Å; I103-K107 PolarHBondContact O-N 2.93Å
104	V	73.1	Confident	71.1	Confident	2 Å²	2	59.4 Å²	59.4	1%	0.012	32%	0.315	C	S	.	.	H	α-helix	trans	-64.4	-47.1	176.7	173.9	0	0	0	0	111.4	I78 A100 C101 T106 K107 F108 F113	I78-V104 HydrophobicContact CD1-CG2 3.7Å; I78-V104 HydrophobicContact CG2-CG2 3.91Å; A100-V104 PolarHBondContact O-N 3.15Å; C101-V104 PolarHBondContact O-N 2.99Å; C101-V104 VanDerWaalsContact O-N 3.11Å; V104-T106 PolarHBondContact O-N 2.76Å; V104-K107 PolarHBondContact O-N 3.02Å; V104-F108 HydrophobicContact CG1-CB 4.3Å; V104-F108 HydrophobicContact CG1-CD2 4.33Å; V104-F108 HydrophobicContact CG2-CD2 4.38Å; V104-F108 CarbonylContact O-C 3.52Å; V104-F108 WeakPolarHBondContact O-CA 3.41Å; V104-F108 PolarHBondContact O-N 2.79Å; V104-F113 HydrophobicContact CB-CD2 4.22Å; V104-F113 HydrophobicContact CB-CE2 4.12Å; V104-F113 HydrophobicContact CB-CZ 4.47Å; V104-F113 HydrophobicContact CG1-CD1 4.11Å; V104-F113 HydrophobicContact CG1-CD2 4.16Å; V104-F113 HydrophobicContact CG1-CE1 3.99Å; V104-F113 HydrophobicContact CG1-CE2 4.05Å; V104-F113 HydrophobicContact CG1-CG 4.2Å; V104-F113 HydrophobicContact CG1-CZ 3.96Å; V104-F113 HydrophobicContact CG2-CD2 4.21Å; V104-F113 HydrophobicContact CG2-CE2 3.65Å; V104-F113 HydrophobicContact CG2-CZ 4Å
105	D	67.4	Low	69.9	Low	89 Å²	89	60.6 Å²	60.6	48%	0.476	33%	0.331	S	S	.	.	H	α-helix	trans	-59.2	-21.3	175.8	-71.5	-16.6	0	0	0	113.1	C101	C101-D105 PolarHBondContact O-N 3.1Å
106	T	68.9	Low	68.9	Low	101 Å²	101	56.4 Å²	56.4	62%	0.62	31%	0.314	S	S	*	.	H	α-helix	trans	-95	-35.8	178.7	-57.9	0	0	0	0	113.4	S102 I103 V104	S102-T106 WeakPolarHBondContact O-CB 3.18Å; S102-T106 PolarHBondContact O-N 2.91Å; S102-T106 PolarHBondContact O-OG1 3.24Å; I103-T106 PolarHBondContact O-N 2.88Å; V104-T106 PolarHBondContact O-N 2.76Å
107	K	68.4	Low	67.9	Low	94 Å²	94	60.1 Å²	60.1	41%	0.409	33%	0.329	S	S	.	.	H	α-helix	trans	-100	-26.6	-172.4	-62.9	-79.8	170.4	143.7	0	113.3	E83 I103 V104	E83-K107 VanDerWaalsContact OE1-CE 3.3Å; E83-K107 WeakPolarHBondContact OE1-CE 3.44Å; E83-K107 IonicContact OE1-NZ 2.72Å; E83-K107 PolarHBondContact OE1-NZ 3.43Å; E83-K107 IonicContact OE2-NZ 3.38Å; E83-K107 PolarHBondContact OE2-NZ 2.66Å; I103-K107 HydrophobicContact CG2-CG 4.08Å; I103-K107 WeakPolarHBondContact O-CB 3.44Å; I103-K107 VanDerWaalsContact O-CG 3.3Å; I103-K107 WeakPolarHBondContact O-CG 3.41Å; I103-K107 PolarHBondContact O-N 2.93Å; V104-K107 PolarHBondContact O-N 3.02Å
108	F	65.5	Low	67.1	Low	64 Å²	64	64.9 Å²	64.9	28%	0.281	36%	0.355	S	S	.	.			trans	-134.7	62.2	-178	-50.2	-70.1	0	0	0	110.5	T81 V104 E110 C111	T81-F108 WeakPolarHBondContact OG1-CZ 3.37Å; V104-F108 HydrophobicContact CG1-CB 4.3Å; V104-F108 HydrophobicContact CG1-CD2 4.33Å; V104-F108 HydrophobicContact CG2-CD2 4.38Å; V104-F108 CarbonylContact O-C 3.52Å; V104-F108 WeakPolarHBondContact O-CA 3.41Å; V104-F108 PolarHBondContact O-N 2.79Å; F108-E110 VanDerWaalsContact CA-OE1 3.3Å; F108-E110 WeakPolarHBondContact CA-OE1 3.39Å; F108-E110 PolarHBondContact O-N 2.79Å; F108-E110 VanDerWaalsContact O-N 3.08Å; F108-C111 HydrophobicContact CB-CB 4.06Å; F108-C111 PolarHBondContact O-N 3.14Å
109	P	54.5	Low	66.7	Low	81 Å²	81	61.7 Å²	61.7	53%	0.526	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-63	-17.4	-173.3	26.9	-35.4	0	0	0	114.1	C111	P109-C111 VanDerWaalsContact C-N 3.34Å
110	E	47.1	Very low	66.6	Low	108 Å²	108	60.3 Å²	60.3	51%	0.505	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-73.9	-15	169	58.2	-72.1	157.6	0	0	115.1	F108	F108-E110 VanDerWaalsContact CA-OE1 3.3Å; F108-E110 WeakPolarHBondContact CA-OE1 3.39Å; F108-E110 PolarHBondContact O-N 2.79Å; F108-E110 VanDerWaalsContact O-N 3.08Å
111	C	54.6	Low	66.8	Low	68 Å²	68	63 Å²	63	46%	0.459	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-119.2	21.3	-172.9	-66.8	0	0	0	0	113.9	F108 P109 F113	F108-C111 HydrophobicContact CB-CB 4.06Å; F108-C111 PolarHBondContact O-N 3.14Å; P109-C111 VanDerWaalsContact C-N 3.34Å; C111-F113 VanDerWaalsContact O-CD1 3.28Å; C111-F113 WeakPolarHBondContact O-CD1 3.36Å; C111-F113 PolarHBondContact O-N 3.44Å
112	G	55.3	Low	67.4	Low	31 Å²	31	62.3 Å²	62.3	32%	0.32	34%	0.341	S	S	.	.			trans	-54	131.9	-169.4	0	0	0	0	0	115.4	Y114	G112-Y114 PolarHBondContact O-N 2.82Å
113	F	58.9	Low	68	Low	34 Å²	34	61.1 Å²	61.1	15%	0.149	33%	0.327	C	S	.	.			trans	-86	90.6	-170.1	-69.1	-15.3	0	0	0	113.1	V104 C111 I116 I120 L152 F161	V104-F113 HydrophobicContact CB-CD2 4.22Å; V104-F113 HydrophobicContact CB-CE2 4.12Å; V104-F113 HydrophobicContact CB-CZ 4.47Å; V104-F113 HydrophobicContact CG1-CD1 4.11Å; V104-F113 HydrophobicContact CG1-CD2 4.16Å; V104-F113 HydrophobicContact CG1-CE1 3.99Å; V104-F113 HydrophobicContact CG1-CE2 4.05Å; V104-F113 HydrophobicContact CG1-CG 4.2Å; V104-F113 HydrophobicContact CG1-CZ 3.96Å; V104-F113 HydrophobicContact CG2-CD2 4.21Å; V104-F113 HydrophobicContact CG2-CE2 3.65Å; V104-F113 HydrophobicContact CG2-CZ 4Å; C111-F113 VanDerWaalsContact O-CD1 3.28Å; C111-F113 WeakPolarHBondContact O-CD1 3.36Å; C111-F113 PolarHBondContact O-N 3.44Å; F113-I116 HydrophobicContact CB-CB 4.25Å; F113-I116 HydrophobicContact CB-CD1 4.02Å; F113-I116 HydrophobicContact CB-CG1 4.13Å; F113-I116 HydrophobicContact CD1-CD1 3.73Å; F113-I116 HydrophobicContact CE1-CD1 4.49Å; F113-I116 HydrophobicContact CG-CD1 4.06Å; F113-I120 HydrophobicContact CD2-CD1 4.3Å; F113-L152 HydrophobicContact CE1-CD1 4.19Å; F113-L152 HydrophobicContact CE2-CD2 4.24Å; F113-L152 HydrophobicContact CZ-CD1 3.98Å; F113-L152 HydrophobicContact CZ-CD2 4.3Å; F113-F161 HydrophobicContact CE1-CD1 4.45Å; F113-F161 HydrophobicContact CE1-CE1 4.13Å
114	Y	53.1	Low	68.5	Low	162 Å²	162	61.4 Å²	61.4	64%	0.635	33%	0.327	S	S	*	.	S	Bend	trans	-90.4	118.6	175.3	-154.6	-112.8	0	0	0	112.2	G112 I116	G112-Y114 PolarHBondContact O-N 2.82Å; Y114-I116 WeakPolarHBondContact O-CG1 3.43Å; Y114-I116 PolarHBondContact O-N 3.48Å
115	G	55.1	Low	69.3	Low	59 Å²	59	63.7 Å²	63.7	61%	0.608	34%	0.338	S	S	*	.	S	Bend	trans	76.2	-7.9	178.5	0	0	0	0	0	116.1	Y117	G115-Y117 PolarHBondContact O-N 3.25Å; G115-Y117 VanDerWaalsContact O-N 3.15Å
116	I	63.3	Low	70.1	Confident	0 Å²	0	61 Å²	61	0%	0	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-73.9	-3.6	-175.9	-35.8	-172	0	0	0	113	F113 Y114 D118 K119 I120 L152 D160 F161	F113-I116 HydrophobicContact CB-CB 4.25Å; F113-I116 HydrophobicContact CB-CD1 4.02Å; F113-I116 HydrophobicContact CB-CG1 4.13Å; F113-I116 HydrophobicContact CD1-CD1 3.73Å; F113-I116 HydrophobicContact CE1-CD1 4.49Å; F113-I116 HydrophobicContact CG-CD1 4.06Å; Y114-I116 WeakPolarHBondContact O-CG1 3.43Å; Y114-I116 PolarHBondContact O-N 3.48Å; I116-D118 PolarHBondContact O-N 3.34Å; I116-K119 HydrophobicContact CG2-CB 3.88Å; I116-K119 HydrophobicContact CG2-CD 4.48Å; I116-K119 CarbonylContact O-C 3.4Å; I116-K119 WeakPolarHBondContact O-CA 3.5Å; I116-K119 WeakPolarHBondContact O-CB 3.32Å; I116-K119 PolarHBondContact O-N 3.38Å; I116-I120 PolarHBondContact O-N 2.65Å; I116-I120 VanDerWaalsContact O-N 3.1Å; I116-L152 HydrophobicContact CG2-CD2 3.96Å; I116-D160 HydrophobicContact CD1-CB 4.3Å; I116-D160 WeakPolarHBondContact CD1-O 3.47Å; I116-D160 HydrophobicContact CG1-CB 4.34Å; I116-F161 HydrophobicContact CD1-CD1 4.09Å; I116-F161 HydrophobicContact CD1-CE1 4.16Å
117	Y	65.8	Low	70.5	Confident	79 Å²	79	63.5 Å²	63.5	31%	0.31	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-49.6	-47.2	-174.6	-174.4	-101.5	0	0	0	114.6	A94 K97 Q98 G115 K119 I120	A94-Y117 WeakPolarHBondContact CA-OH 3.49Å; A94-Y117 WeakPolarHBondContact CB-OH 3.36Å; A94-Y117 PolarHBondContact O-OH 3.14Å; K97-Y117 HydrophobicContact CB-CD2 4.14Å; K97-Y117 HydrophobicContact CB-CE2 3.62Å; K97-Y117 WeakPolarHBondContact CD-O 3.14Å; K97-Y117 PolarHBondContact NZ-O 3.47Å; Q98-Y117 HydrophobicContact CB-CE2 4.3Å; G115-Y117 PolarHBondContact O-N 3.25Å; G115-Y117 VanDerWaalsContact O-N 3.15Å; Y117-K119 VanDerWaalsContact C-N 3.29Å; Y117-K119 PolarHBondContact O-N 2.97Å; Y117-I120 PolarHBondContact O-N 3.39Å
118	D	69.4	Low	71	Confident	131 Å²	131	65.1 Å²	65.1	70%	0.701	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-73	-24.8	178.8	-62	-49	0	0	0	112.6	K97 I116	K97-D118 PolarHBondContact NZ-O 3.16Å; I116-D118 PolarHBondContact O-N 3.34Å
119	K	74.2	Confident	71.7	Confident	55 Å²	55	64 Å²	64	24%	0.239	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-83.2	-10	178.4	-55.2	-176.9	179.1	-170.1	0	113.4	I116 Y117 S153 A155 A156 D160	I116-K119 HydrophobicContact CG2-CB 3.88Å; I116-K119 HydrophobicContact CG2-CD 4.48Å; I116-K119 CarbonylContact O-C 3.4Å; I116-K119 WeakPolarHBondContact O-CA 3.5Å; I116-K119 WeakPolarHBondContact O-CB 3.32Å; I116-K119 PolarHBondContact O-N 3.38Å; Y117-K119 VanDerWaalsContact C-N 3.29Å; Y117-K119 PolarHBondContact O-N 2.97Å; K119-S153 WeakPolarHBondContact O-CB 3.29Å; K119-S153 PolarHBondContact O-N 2.94Å; K119-A155 WeakPolarHBondContact CD-O 3.26Å; K119-A155 WeakPolarHBondContact CE-O 3.5Å; K119-A155 PolarHBondContact NZ-O 3.24Å; K119-A156 HydrophobicContact CD-CB 4.2Å; K119-D160 WeakPolarHBondContact CE-OD1 3.49Å; K119-D160 IonicContact NZ-OD1 3.98Å; K119-D160 PolarHBondContact NZ-OD1 3.2Å; K119-D160 IonicContact NZ-OD2 3.56Å; K119-D160 PolarHBondContact NZ-OD2 2.95Å
120	I	83.1	Confident	72.6	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131.7	172	-68.4	169	0	0	0	110.5	K97 C101 F113 I116 Y117 L122 V150 L152	K97-I120 HydrophobicContact CD-CB 4.47Å; K97-I120 WeakPolarHBondContact CE-O 3.18Å; K97-I120 HydrophobicContact CG-CB 4.47Å; K97-I120 HydrophobicContact CG-CG2 4.09Å; K97-I120 PolarHBondContact NZ-O 3.16Å; C101-I120 WeakPolarHBondContact SG-CD1 3.4Å; F113-I120 HydrophobicContact CD2-CD1 4.3Å; I116-I120 PolarHBondContact O-N 2.65Å; I116-I120 VanDerWaalsContact O-N 3.1Å; Y117-I120 PolarHBondContact O-N 3.39Å; I120-L122 HydrophobicContact CG2-CD2 4.4Å; I120-V150 HydrophobicContact CG2-CG1 3.82Å; I120-L152 HydrophobicContact CG1-CD2 3.81Å
121	L	87.5	Confident	74.1	Confident	56 Å²	56	68.8 Å²	68.8	29%	0.293	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	152.3	170.7	-55.6	176.5	0	0	0	109.5	F123 V151	L121-F123 HydrophobicContact CB-CD2 4.36Å; L121-F123 HydrophobicContact CB-CE2 3.71Å; L121-F123 HydrophobicContact CD1-CE2 4.28Å; L121-V151 WeakPolarHBondContact CA-O 3.2Å; L121-V151 WeakPolarHBondContact CB-O 3.27Å; L121-V151 PolarHBondContact N-O 3.43Å; L121-V151 PolarHBondContact O-N 3.08Å
122	L	90.3	Very high	75.4	Confident	4 Å²	4	68.8 Å²	68.8	2%	0.021	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.8	-177.2	-64.8	169.5	0	0	0	109.4	L93 V96 K97 I120 R135 V136 V148 E149 V150	L93-L122 HydrophobicContact CD1-CD1 3.64Å; L93-L122 HydrophobicContact CG-CD1 4.11Å; V96-L122 HydrophobicContact CB-CD1 4.01Å; V96-L122 HydrophobicContact CG1-CD1 3.6Å; V96-L122 HydrophobicContact CG1-CD2 4.35Å; K97-L122 HydrophobicContact CG-CD1 4.09Å; I120-L122 HydrophobicContact CG2-CD2 4.4Å; L122-R135 WeakPolarHBondContact O-CA 3.4Å; L122-V136 HydrophobicContact CB-CB 4.05Å; L122-V136 HydrophobicContact CB-CG2 4.24Å; L122-V136 PolarHBondContact O-N 2.7Å; L122-V148 HydrophobicContact CB-CG1 4.11Å; L122-V148 HydrophobicContact CD2-CG1 4.16Å; L122-E149 WeakPolarHBondContact CA-O 3.36Å; L122-V150 HydrophobicContact CD2-CB 4.48Å; L122-V150 HydrophobicContact CD2-CG2 3.87Å
123	F	91.6	Very high	76.9	Confident	43 Å²	43	71.2 Å²	71.2	19%	0.189	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	117.2	-177	-70.5	-94.6	0	0	0	111.4	L121 L133 Q134 R135 V148 E149 V151	L121-F123 HydrophobicContact CB-CD2 4.36Å; L121-F123 HydrophobicContact CB-CE2 3.71Å; L121-F123 HydrophobicContact CD1-CE2 4.28Å; F123-L133 HydrophobicContact CB-CB 4.36Å; F123-L133 HydrophobicContact CB-CD2 4.42Å; F123-L133 HydrophobicContact CD1-CB 4.07Å; F123-Q134 CarbonylContact C-O 3.5Å; F123-Q134 VanDerWaalsContact CA-O 3.3Å; F123-Q134 WeakPolarHBondContact CA-O 3.43Å; F123-R135 HydrophobicContact CD1-CB 3.93Å; F123-R135 HydrophobicContact CD1-CG 4.33Å; F123-R135 HydrophobicContact CE1-CB 3.67Å; F123-R135 HydrophobicContact CE1-CG 3.96Å; F123-R135 HydrophobicContact CE2-CG 4.48Å; F123-R135 HydrophobicContact CZ-CB 4.26Å; F123-R135 HydrophobicContact CZ-CG 4.04Å; F123-V148 CarbonylContact O-C 3.14Å; F123-V148 WeakPolarHBondContact O-CA 3.48Å; F123-E149 PolarHBondContact N-O 3.26Å; F123-E149 PolarHBondContact O-N 3.07Å; F123-V151 HydrophobicContact CD2-CB 3.94Å; F123-V151 HydrophobicContact CD2-CG2 3.67Å; F123-V151 HydrophobicContact CE2-CB 3.94Å; F123-V151 HydrophobicContact CE2-CG1 4.4Å; F123-V151 HydrophobicContact CE2-CG2 4.09Å
124	K	91.7	Very high	78.2	Confident	28 Å²	28	73 Å²	73	12%	0.122	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	134.2	169.1	170.5	171.5	172.9	150.6	0	109.4	Q134 V136 D141 D146	K124-Q134 PolarHBondContact N-O 3.45Å; K124-Q134 PolarHBondContact O-N 2.89Å; K124-V136 HydrophobicContact CB-CG2 4.14Å; K124-D141 WeakPolarHBondContact CD-O 3.44Å; K124-D146 VanDerWaalsContact CD-OD2 3.31Å; K124-D146 WeakPolarHBondContact CD-OD2 3.27Å; K124-D146 VanDerWaalsContact CE-CG 3.46Å; K124-D146 WeakPolarHBondContact CE-OD1 3.21Å; K124-D146 VanDerWaalsContact CE-OD2 3.26Å; K124-D146 WeakPolarHBondContact CE-OD2 3.46Å; K124-D146 IonicContact NZ-OD1 2.73Å; K124-D146 PolarHBondContact NZ-OD1 2.92Å; K124-D146 IonicContact NZ-OD2 3.12Å; K124-D146 PolarHBondContact NZ-OD2 2.63Å
125	H	88.7	Confident	79.9	Confident	50 Å²	50	72.2 Å²	72.2	23%	0.231	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	115.6	168.4	-75.9	-131.2	0	0	0	109.3	V132 L133 L147 E149	H125-V132 CarbonylContact C-O 3.5Å; H125-V132 VanDerWaalsContact CA-O 3.31Å; H125-V132 WeakPolarHBondContact CA-O 3.35Å; H125-L133 VanDerWaalsContact CD2-CD2 3.46Å; H125-L133 WeakPolarHBondContact CD2-CD2 3.38Å; H125-L133 VanDerWaalsContact NE2-CD2 3.27Å; H125-L133 WeakPolarHBondContact NE2-CD2 3.47Å; H125-L147 HydrophobicContact CB-CB 4.18Å; H125-L147 HydrophobicContact CB-CD2 4.41Å; H125-L147 PolarHBondContact N-O 3.33Å; H125-E149 IonicContact CD2-OE2 2.84Å; H125-E149 IonicContact CE1-OE2 2.63Å; H125-E149 PolarHBondContact CE1-OE2 2.87Å; H125-E149 IonicContact NE2-OE2 3.86Å; H125-E149 PolarHBondContact NE2-OE2 2.75Å
126	D	84.9	Confident	81.5	Confident	33 Å²	33	69.7 Å²	69.7	18%	0.176	36%	0.355	C	S	.	.			trans	-123.8	96.1	174.1	175.3	10.5	0	0	0	110.1	T128 S129 V132 Q134	D126-T128 PolarHBondContact O-N 3.16Å; D126-T128 WeakPolarHBondContact OD1-CA 3.04Å; D126-T128 WeakPolarHBondContact OD1-CB 3.48Å; D126-T128 PolarHBondContact OD1-N 2.76Å; D126-T128 PolarHBondContact OD1-OG1 2.81Å; D126-S129 PolarHBondContact O-N 2.76Å; D126-S129 WeakPolarHBondContact OD2-CB 3.3Å; D126-V132 PolarHBondContact N-O 2.86Å; D126-V132 WeakPolarHBondContact O-CA 3.47Å; D126-Q134 HydrophobicContact CB-CG 4.43Å; D126-Q134 PolarHBondContact OD2-NE2 3.42Å
127	I	78.4	Confident	82.6	Confident	154 Å²	154	76.8 Å²	76.8	79%	0.79	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-6.2	178.6	59.4	167.3	0	0	0	114.3	V132	I127-V132 HydrophobicContact CG2-CG1 4.39Å
128	T	78.7	Confident	83.5	Confident	128 Å²	128	75.4 Å²	75.4	79%	0.785	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-10.6	175.8	73.9	0	0	0	0	112.8	D126	D126-T128 PolarHBondContact O-N 3.16Å; D126-T128 WeakPolarHBondContact OD1-CA 3.04Å; D126-T128 WeakPolarHBondContact OD1-CB 3.48Å; D126-T128 PolarHBondContact OD1-N 2.76Å; D126-T128 PolarHBondContact OD1-OG1 2.81Å
129	S	80.6	Confident	84.2	Confident	39 Å²	39	70.7 Å²	70.7	27%	0.273	36%	0.363	S	S	.	.	S	Bend	trans	-103.6	144.9	-179.5	-177.5	0	0	0	0	112.2	D126 N131 Q134	D126-S129 PolarHBondContact O-N 2.76Å; D126-S129 WeakPolarHBondContact OD2-CB 3.3Å; S129-N131 PolarHBondContact O-N 2.98Å; S129-N131 VanDerWaalsContact O-N 3.15Å; S129-N131 PolarHBondContact OG-N 2.71Å; S129-Q134 PolarHBondContact OG-NE2 3.42Å
130	N	72.8	Confident	84.6	Confident	169 Å²	169	72.4 Å²	72.4	90%	0.904	38%	0.382	S	S	*	.	S	Bend	trans	-59.1	-24.1	171.2	-68.9	-32.1	0	0	0	112.5
131	N	78.2	Confident	84.6	Confident	122 Å²	122	74.9 Å²	74.9	65%	0.652	40%	0.395	S	S	*	.	S	Bend	trans	-104.2	89.8	170.1	-71.8	-29.8	0	0	0	108.9	S129 L133 Q134	S129-N131 PolarHBondContact O-N 2.98Å; S129-N131 VanDerWaalsContact O-N 3.15Å; S129-N131 PolarHBondContact OG-N 2.71Å; N131-L133 PolarHBondContact O-N 2.82Å; N131-L133 VanDerWaalsContact O-N 3.15Å; N131-Q134 WeakPolarHBondContact O-CG 3.31Å
132	V	82.3	Confident	84.6	Confident	68 Å²	68	72.5 Å²	72.5	41%	0.412	38%	0.383	S	S	.	.	S	Bend	trans	-59.9	-26.8	-174.6	-176.4	0	0	0	0	112.9	H125 D126 I127	H125-V132 CarbonylContact C-O 3.5Å; H125-V132 VanDerWaalsContact CA-O 3.31Å; H125-V132 WeakPolarHBondContact CA-O 3.35Å; D126-V132 PolarHBondContact N-O 2.86Å; D126-V132 WeakPolarHBondContact O-CA 3.47Å; I127-V132 HydrophobicContact CG2-CG1 4.39Å
133	L	85.6	Confident	84.4	Confident	81 Å²	81	78.1 Å²	78.1	42%	0.424	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	110	173.9	-63.2	179.2	0	0	0	110.8	F123 H125 N131	F123-L133 HydrophobicContact CB-CB 4.36Å; F123-L133 HydrophobicContact CB-CD2 4.42Å; F123-L133 HydrophobicContact CD1-CB 4.07Å; H125-L133 VanDerWaalsContact CD2-CD2 3.46Å; H125-L133 WeakPolarHBondContact CD2-CD2 3.38Å; H125-L133 VanDerWaalsContact NE2-CD2 3.27Å; H125-L133 WeakPolarHBondContact NE2-CD2 3.47Å; N131-L133 PolarHBondContact O-N 2.82Å; N131-L133 VanDerWaalsContact O-N 3.15Å
134	Q	87.1	Confident	84.2	Confident	73 Å²	73	83.4 Å²	83.4	34%	0.341	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	122	177.8	-62.8	-172	27.3	0	0	110.9	F123 K124 D126 S129 N131 V136	F123-Q134 CarbonylContact C-O 3.5Å; F123-Q134 VanDerWaalsContact CA-O 3.3Å; F123-Q134 WeakPolarHBondContact CA-O 3.43Å; K124-Q134 PolarHBondContact N-O 3.45Å; K124-Q134 PolarHBondContact O-N 2.89Å; D126-Q134 HydrophobicContact CB-CG 4.43Å; D126-Q134 PolarHBondContact OD2-NE2 3.42Å; S129-Q134 PolarHBondContact OG-NE2 3.42Å; N131-Q134 WeakPolarHBondContact O-CG 3.31Å; Q134-V136 PolarHBondContact O-N 2.88Å
135	R	88.7	Confident	83.8	Confident	145 Å²	145	84.8 Å²	84.8	55%	0.547	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	116.6	-177.4	-162.3	-174.1	80.8	-168.3	6.9	110.8	L122 F123 K137	L122-R135 WeakPolarHBondContact O-CA 3.4Å; F123-R135 HydrophobicContact CD1-CB 3.93Å; F123-R135 HydrophobicContact CD1-CG 4.33Å; F123-R135 HydrophobicContact CE1-CB 3.67Å; F123-R135 HydrophobicContact CE1-CG 3.96Å; F123-R135 HydrophobicContact CE2-CG 4.48Å; F123-R135 HydrophobicContact CZ-CB 4.26Å; F123-R135 HydrophobicContact CZ-CG 4.04Å; R135-K137 PolarHBondContact O-N 3.1Å
136	V	89.2	Confident	83.9	Confident	6 Å²	6	83.3 Å²	83.3	4%	0.036	45%	0.45	C	S	.	.			trans	-61.7	130.9	172.3	-175.3	0	0	0	0	108.7	L93 L122 K124 Q134 S138 D141 I142 V148	L93-V136 HydrophobicContact CD1-CB 4.34Å; L93-V136 HydrophobicContact CD1-CG1 3.5Å; L93-V136 VanDerWaalsContact CD1-CG1 3.5Å; L122-V136 HydrophobicContact CB-CB 4.05Å; L122-V136 HydrophobicContact CB-CG2 4.24Å; L122-V136 PolarHBondContact O-N 2.7Å; K124-V136 HydrophobicContact CB-CG2 4.14Å; Q134-V136 PolarHBondContact O-N 2.88Å; V136-S138 WeakPolarHBondContact CG1-O 3.32Å; V136-D141 HydrophobicContact CG1-CB 4.23Å; V136-I142 HydrophobicContact CG1-CD1 4.27Å; V136-I142 HydrophobicContact CG1-CG1 4.1Å; V136-V148 HydrophobicContact CG2-CG1 4.31Å
137	K	86	Confident	84.1	Confident	149 Å²	149	83.1 Å²	83.1	65%	0.648	45%	0.449	S	S	*	.			trans	-116.9	-26.3	177.6	-62.2	171.6	-167.8	165.8	0	111.6	R135 D141	R135-K137 PolarHBondContact O-N 3.1Å; K137-D141 PolarHBondContact N-OD2 2.81Å
138	S	84.3	Confident	84.8	Confident	50 Å²	50	75.8 Å²	75.8	35%	0.35	41%	0.411	S	S	.	.	S	Bend	trans	-144.1	154.5	-177.7	20.3	0	0	0	0	110.4	V136 S140 D141	V136-S138 WeakPolarHBondContact CG1-O 3.32Å; S138-S140 WeakPolarHBondContact CB-OG 3.33Å; S138-S140 PolarHBondContact O-N 2.81Å; S138-S140 PolarHBondContact OG-OG 2.81Å; S138-D141 WeakPolarHBondContact CB-OD1 3.3Å; S138-D141 PolarHBondContact N-OD2 2.76Å; S138-D141 WeakPolarHBondContact O-CB 3.47Å; S138-D141 PolarHBondContact O-N 2.89Å; S138-D141 VanDerWaalsContact O-N 3.07Å; S138-D141 PolarHBondContact OG-OD1 2.84Å; S138-D141 PolarHBondContact OG-OD2 3.48Å
139	T	83.9	Confident	85.4	Confident	32 Å²	32	71.5 Å²	71.5	20%	0.196	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-67.1	-20.6	177.6	31.5	0	0	0	0	113.3	L87 A91 D92 V96 D141 I142	L87-T139 HydrophobicContact CD1-CG2 4.29Å; L87-T139 HydrophobicContact CD2-CG2 3.91Å; A91-T139 WeakPolarHBondContact O-CB 3.48Å; A91-T139 PolarHBondContact O-OG1 2.87Å; D92-T139 WeakPolarHBondContact O-CG2 3.31Å; V96-T139 HydrophobicContact CG2-CG2 3.85Å; T139-D141 PolarHBondContact O-N 3.2Å; T139-I142 PolarHBondContact O-N 2.91Å
140	S	82.5	Confident	85.9	Confident	91 Å²	91	70.3 Å²	70.3	64%	0.636	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-61.4	-17.4	168.2	52.3	0	0	0	0	114.8	S138 I142	S138-S140 WeakPolarHBondContact CB-OG 3.33Å; S138-S140 PolarHBondContact O-N 2.81Å; S138-S140 PolarHBondContact OG-OG 2.81Å; S140-I142 VanDerWaalsContact C-N 3.27Å
141	D	83.8	Confident	86.5	Confident	51 Å²	51	64.7 Å²	64.7	27%	0.273	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-82.7	-13.8	-178.2	-40	-9.7	0	0	0	111	K124 V136 K137 S138 T139	K124-D141 WeakPolarHBondContact CD-O 3.44Å; V136-D141 HydrophobicContact CG1-CB 4.23Å; K137-D141 PolarHBondContact N-OD2 2.81Å; S138-D141 WeakPolarHBondContact CB-OD1 3.3Å; S138-D141 PolarHBondContact N-OD2 2.76Å; S138-D141 WeakPolarHBondContact O-CB 3.47Å; S138-D141 PolarHBondContact O-N 2.89Å; S138-D141 VanDerWaalsContact O-N 3.07Å; S138-D141 PolarHBondContact OG-OD1 2.84Å; S138-D141 PolarHBondContact OG-OD2 3.48Å; T139-D141 PolarHBondContact O-N 3.2Å
142	I	87.3	Confident	86.4	Confident	7 Å²	7	61.5 Å²	61.5	4%	0.036	33%	0.328	C	S	.	.			trans	-95.3	128.5	178.4	-53.2	175.2	0	0	0	109	F74 L87 V96 V136 T139 S140 D146 V148	F74-I142 HydrophobicContact CB-CG2 3.81Å; F74-I142 HydrophobicContact CD1-CG2 3.98Å; F74-I142 HydrophobicContact CD2-CG2 4.12Å; F74-I142 HydrophobicContact CG-CG2 3.7Å; L87-I142 HydrophobicContact CD2-CB 4.5Å; L87-I142 HydrophobicContact CD2-CD1 4.35Å; V96-I142 HydrophobicContact CG2-CD1 4.18Å; V136-I142 HydrophobicContact CG1-CD1 4.27Å; V136-I142 HydrophobicContact CG1-CG1 4.1Å; T139-I142 PolarHBondContact O-N 2.91Å; S140-I142 VanDerWaalsContact C-N 3.27Å; I142-D146 WeakPolarHBondContact CA-OD2 3.45Å; I142-D146 HydrophobicContact CG2-CB 4.41Å; I142-V148 HydrophobicContact CD1-CG2 4.32Å; I142-V148 HydrophobicContact CG1-CG2 4.21Å; I142-V148 HydrophobicContact CG2-CG2 4.29Å
143	Q	86.8	Confident	86.3	Confident	121 Å²	121	60 Å²	60	57%	0.565	32%	0.321	S	S	*	.			trans	-122.4	167.6	-178.6	-66.2	174.9	-18.9	0	0	110.2	V72 G145 D146	V72-Q143 VanDerWaalsContact CG1-C 3.42Å; Q143-G145 PolarHBondContact O-N 3.19Å; Q143-D146 PolarHBondContact N-OD2 2.63Å; Q143-D146 WeakPolarHBondContact O-CB 3.37Å; Q143-D146 PolarHBondContact O-N 3.4Å
144	E	86.1	Confident	85.3	Confident	154 Å²	154	61.4 Å²	61.4	72%	0.72	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	129.3	-176.1	-170.9	167.6	-154.8	0	0	111.5	V72 S73	V72-E144 HydrophobicContact CG1-CB 4.29Å; S73-E144 CarbonylContact O-C 3.52Å; S73-E144 WeakPolarHBondContact O-CA 3.35Å
145	G	83.5	Confident	84.1	Confident	57 Å²	57	60.8 Å²	60.8	59%	0.588	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	-1.2	-175.9	0	0	0	0	0	115.7	S73 Q143	S73-G145 PolarHBondContact O-N 2.88Å; Q143-G145 PolarHBondContact O-N 3.19Å
146	D	91.1	Very high	82.7	Confident	20 Å²	20	55 Å²	55	11%	0.107	33%	0.334	C	S	.	.			trans	-59.6	147.8	178.5	-86.2	-18.7	0	0	0	113.3	F74 I75 K124 I142 Q143 V148	F74-D146 HydrophobicContact CB-CB 4.35Å; I75-D146 PolarHBondContact N-O 2.85Å; K124-D146 VanDerWaalsContact CD-OD2 3.31Å; K124-D146 WeakPolarHBondContact CD-OD2 3.27Å; K124-D146 VanDerWaalsContact CE-CG 3.46Å; K124-D146 WeakPolarHBondContact CE-OD1 3.21Å; K124-D146 VanDerWaalsContact CE-OD2 3.26Å; K124-D146 WeakPolarHBondContact CE-OD2 3.46Å; K124-D146 IonicContact NZ-OD1 2.73Å; K124-D146 PolarHBondContact NZ-OD1 2.92Å; K124-D146 IonicContact NZ-OD2 3.12Å; K124-D146 PolarHBondContact NZ-OD2 2.63Å; I142-D146 WeakPolarHBondContact CA-OD2 3.45Å; I142-D146 HydrophobicContact CG2-CB 4.41Å; Q143-D146 PolarHBondContact N-OD2 2.63Å; Q143-D146 WeakPolarHBondContact O-CB 3.37Å; Q143-D146 PolarHBondContact O-N 3.4Å; D146-V148 HydrophobicContact CB-CG2 4.46Å
147	L	89.8	Confident	81.2	Confident	28 Å²	28	58.2 Å²	58.2	15%	0.147	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	113	166.7	-177.5	66.1	0	0	0	109.5	I75 Q77 H125	I75-L147 HydrophobicContact CB-CD1 3.96Å; I75-L147 HydrophobicContact CG2-CD1 3.63Å; I75-L147 WeakPolarHBondContact O-CA 3.26Å; Q77-L147 HydrophobicContact CB-CD1 3.98Å; H125-L147 HydrophobicContact CB-CB 4.18Å; H125-L147 HydrophobicContact CB-CD2 4.41Å; H125-L147 PolarHBondContact N-O 3.33Å
148	V	92.3	Very high	79.6	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	113.5	179.3	-179.5	0	0	0	0	109.6	F74 I75 I76 Q77 L122 F123 V136 I142 D146	F74-V148 HydrophobicContact CD2-CB 4.01Å; F74-V148 HydrophobicContact CD2-CG2 3.7Å; F74-V148 HydrophobicContact CE2-CB 4Å; F74-V148 HydrophobicContact CE2-CG2 4.02Å; I75-V148 PolarHBondContact O-N 3.3Å; I76-V148 CarbonylContact C-O 3.56Å; I76-V148 VanDerWaalsContact CA-O 3.31Å; I76-V148 WeakPolarHBondContact CA-O 3.26Å; Q77-V148 PolarHBondContact N-O 3.25Å; L122-V148 HydrophobicContact CB-CG1 4.11Å; L122-V148 HydrophobicContact CD2-CG1 4.16Å; F123-V148 CarbonylContact O-C 3.14Å; F123-V148 WeakPolarHBondContact O-CA 3.48Å; V136-V148 HydrophobicContact CG2-CG1 4.31Å; I142-V148 HydrophobicContact CD1-CG2 4.32Å; I142-V148 HydrophobicContact CG1-CG2 4.21Å; I142-V148 HydrophobicContact CG2-CG2 4.29Å; D146-V148 HydrophobicContact CB-CG2 4.46Å
149	E	92.7	Very high	78	Confident	38 Å²	38	64.2 Å²	64.2	18%	0.178	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	133.6	179.2	-175.2	159	-140	0	0	112.1	Q77 L122 F123 H125 V151	Q77-E149 HydrophobicContact CB-CB 4.42Å; Q77-E149 HydrophobicContact CG-CG 4.48Å; Q77-E149 VanDerWaalsContact NE2-CD 3.32Å; Q77-E149 PolarHBondContact NE2-OE1 3.26Å; L122-E149 WeakPolarHBondContact CA-O 3.36Å; F123-E149 PolarHBondContact N-O 3.26Å; F123-E149 PolarHBondContact O-N 3.07Å; H125-E149 IonicContact CD2-OE2 2.84Å; H125-E149 IonicContact CE1-OE2 2.63Å; H125-E149 PolarHBondContact CE1-OE2 2.87Å; H125-E149 IonicContact NE2-OE2 3.86Å; H125-E149 PolarHBondContact NE2-OE2 2.75Å; E149-V151 HydrophobicContact CG-CG2 4.05Å
150	V	89	Confident	76.5	Confident	15 Å²	15	64.4 Å²	64.4	9%	0.091	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	113.8	178.2	-174.3	0	0	0	0	108.7	I76 Q77 I78 A100 I120 L122	I76-V150 HydrophobicContact CD1-CG2 3.62Å; I76-V150 HydrophobicContact CG1-CG2 3.54Å; Q77-V150 PolarHBondContact O-N 3.36Å; I78-V150 HydrophobicContact CD1-CG2 4.18Å; I78-V150 HydrophobicContact CG1-CB 4.06Å; I78-V150 HydrophobicContact CG1-CG2 3.82Å; A100-V150 HydrophobicContact CB-CG1 4.12Å; A100-V150 HydrophobicContact CB-CG2 3.87Å; I120-V150 HydrophobicContact CG2-CG1 3.82Å; L122-V150 HydrophobicContact CD2-CB 4.48Å; L122-V150 HydrophobicContact CD2-CG2 3.87Å
151	V	85.8	Confident	75.2	Confident	51 Å²	51	63.7 Å²	63.7	31%	0.309	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.2	-177.7	-177.5	0	0	0	0	109.1	L121 F123 E149	L121-V151 WeakPolarHBondContact CA-O 3.2Å; L121-V151 WeakPolarHBondContact CB-O 3.27Å; L121-V151 PolarHBondContact N-O 3.43Å; L121-V151 PolarHBondContact O-N 3.08Å; F123-V151 HydrophobicContact CD2-CB 3.94Å; F123-V151 HydrophobicContact CD2-CG2 3.67Å; F123-V151 HydrophobicContact CE2-CB 3.94Å; F123-V151 HydrophobicContact CE2-CG1 4.4Å; F123-V151 HydrophobicContact CE2-CG2 4.09Å; E149-V151 HydrophobicContact CG-CG2 4.05Å
152	L	77.2	Confident	73.7	Confident	54 Å²	54	67.4 Å²	67.4	28%	0.283	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	134.6	174.1	-61	-179.1	0	0	0	110.2	F113 I116 I120 F161	F113-L152 HydrophobicContact CE1-CD1 4.19Å; F113-L152 HydrophobicContact CE2-CD2 4.24Å; F113-L152 HydrophobicContact CZ-CD1 3.98Å; F113-L152 HydrophobicContact CZ-CD2 4.3Å; I116-L152 HydrophobicContact CG2-CD2 3.96Å; I120-L152 HydrophobicContact CG1-CD2 3.81Å; L152-F161 HydrophobicContact CD1-CE1 3.5Å; L152-F161 VanDerWaalsContact CD1-CE1 3.5Å; L152-F161 HydrophobicContact CD1-CZ 3.48Å; L152-F161 VanDerWaalsContact CD1-CZ 3.48Å
153	S	78.9	Confident	72.1	Confident	38 Å²	38	71.8 Å²	71.8	27%	0.266	40%	0.4	S	S	.	.			trans	-60.8	145.7	174.3	179.1	0	0	0	0	111.2	K119 A155 A156	K119-S153 WeakPolarHBondContact O-CB 3.29Å; K119-S153 PolarHBondContact O-N 2.94Å; S153-A155 PolarHBondContact O-N 2.98Å; S153-A155 PolarHBondContact OG-N 3.22Å; S153-A156 VanDerWaalsContact O-CB 3.32Å; S153-A156 WeakPolarHBondContact O-CB 3.32Å; S153-A156 PolarHBondContact O-N 3.18Å
154	A	65.1	Low	70.8	Confident	110 Å²	110	70.5 Å²	70.5	91%	0.909	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-4.7	173	0	0	0	0	0	114.1	A156	A154-A156 VanDerWaalsContact C-N 3.3Å
155	A	61.2	Low	69.8	Low	59 Å²	59	65.1 Å²	65.1	49%	0.488	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	2.2	167.2	0	0	0	0	0	113.9	K119 S153	K119-A155 WeakPolarHBondContact CD-O 3.26Å; K119-A155 WeakPolarHBondContact CE-O 3.5Å; K119-A155 PolarHBondContact NZ-O 3.24Å; S153-A155 PolarHBondContact O-N 2.98Å; S153-A155 PolarHBondContact OG-N 3.22Å
156	A	59.2	Low	69.3	Low	23 Å²	23	62.7 Å²	62.7	19%	0.19	34%	0.342	C	S	.	.			trans	-84.3	121.5	166.7	0	0	0	0	0	109.7	K119 S153 A154 F161	K119-A156 HydrophobicContact CD-CB 4.2Å; S153-A156 VanDerWaalsContact O-CB 3.32Å; S153-A156 WeakPolarHBondContact O-CB 3.32Å; S153-A156 PolarHBondContact O-N 3.18Å; A154-A156 VanDerWaalsContact C-N 3.3Å; A156-F161 HydrophobicContact CB-CE2 4.21Å; A156-F161 HydrophobicContact CB-CZ 4.32Å
157	T	59.7	Low	68.4	Low	74 Å²	74	63.5 Å²	63.5	45%	0.454	35%	0.351	S	S	.	.			trans	-102.1	164.4	179.9	64.8	0	0	0	0	110	E159 D160 F161	T157-E159 PolarHBondContact O-N 3.27Å; T157-E159 VanDerWaalsContact O-N 3.16Å; T157-D160 PolarHBondContact N-OD2 3.43Å; T157-D160 WeakPolarHBondContact O-CB 3.46Å; T157-D160 PolarHBondContact O-N 2.86Å; T157-D160 PolarHBondContact OG1-OD2 3.49Å; T157-F161 WeakPolarHBondContact O-CD2 3.23Å; T157-F161 WeakPolarHBondContact O-CE2 3.45Å
158	F	52.4	Low	67.7	Low	181 Å²	181	62.3 Å²	62.3	79%	0.794	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-58.4	-28.5	175.3	-170.9	-106.6	0	0	0	112.7	D160 F161	F158-D160 VanDerWaalsContact C-N 3.28Å; F158-D160 PolarHBondContact O-N 3.45Å; F158-F161 PolarHBondContact O-N 3.08Å; F158-F161 VanDerWaalsContact O-N 3.14Å
159	E	49.8	Very low	66.4	Low	145 Å²	145	65.5 Å²	65.5	68%	0.678	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-68.4	-22.4	175.6	-60.3	-178.2	-175.3	0	0	113.6	T157 F161 Q162	T157-E159 PolarHBondContact O-N 3.27Å; T157-E159 VanDerWaalsContact O-N 3.16Å; E159-F161 VanDerWaalsContact C-N 3.28Å; E159-Q162 VanDerWaalsContact O-CG 3.25Å; E159-Q162 WeakPolarHBondContact O-CG 3.41Å; E159-Q162 PolarHBondContact O-NE2 2.9Å
160	D	53.3	Low	65.1	Low	36 Å²	36	65.1 Å²	65.1	19%	0.193	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-72.7	-21.2	172.3	-66.3	-84.8	0	0	0	112.5	I116 K119 T157 F158 Q162	I116-D160 HydrophobicContact CD1-CB 4.3Å; I116-D160 WeakPolarHBondContact CD1-O 3.47Å; I116-D160 HydrophobicContact CG1-CB 4.34Å; K119-D160 WeakPolarHBondContact CE-OD1 3.49Å; K119-D160 IonicContact NZ-OD1 3.98Å; K119-D160 PolarHBondContact NZ-OD1 3.2Å; K119-D160 IonicContact NZ-OD2 3.56Å; K119-D160 PolarHBondContact NZ-OD2 2.95Å; T157-D160 PolarHBondContact N-OD2 3.43Å; T157-D160 WeakPolarHBondContact O-CB 3.46Å; T157-D160 PolarHBondContact O-N 2.86Å; T157-D160 PolarHBondContact OG1-OD2 3.49Å; F158-D160 VanDerWaalsContact C-N 3.28Å; F158-D160 PolarHBondContact O-N 3.45Å; D160-Q162 VanDerWaalsContact C-N 3.34Å
161	F	53.8	Low	63.8	Low	75 Å²	75	67.9 Å²	67.9	33%	0.329	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-95.7	23.2	179.3	-57.2	-91.6	0	0	0	112.8	F113 I116 L152 A156 T157 F158 E159 I163	F113-F161 HydrophobicContact CE1-CD1 4.45Å; F113-F161 HydrophobicContact CE1-CE1 4.13Å; I116-F161 HydrophobicContact CD1-CD1 4.09Å; I116-F161 HydrophobicContact CD1-CE1 4.16Å; L152-F161 HydrophobicContact CD1-CE1 3.5Å; L152-F161 VanDerWaalsContact CD1-CE1 3.5Å; L152-F161 HydrophobicContact CD1-CZ 3.48Å; L152-F161 VanDerWaalsContact CD1-CZ 3.48Å; A156-F161 HydrophobicContact CB-CE2 4.21Å; A156-F161 HydrophobicContact CB-CZ 4.32Å; T157-F161 WeakPolarHBondContact O-CD2 3.23Å; T157-F161 WeakPolarHBondContact O-CE2 3.45Å; F158-F161 PolarHBondContact O-N 3.08Å; F158-F161 VanDerWaalsContact O-N 3.14Å; E159-F161 VanDerWaalsContact C-N 3.28Å; F161-I163 PolarHBondContact O-N 3.27Å
162	Q	52.2	Low	62.6	Low	130 Å²	130	67.8 Å²	67.8	61%	0.607	38%	0.376	S	S	*	.			trans	-57.4	109.3	179.5	-84	174.8	26.8	0	0	111.6	E159 D160 R164	E159-Q162 VanDerWaalsContact O-CG 3.25Å; E159-Q162 WeakPolarHBondContact O-CG 3.41Å; E159-Q162 PolarHBondContact O-NE2 2.9Å; D160-Q162 VanDerWaalsContact C-N 3.34Å; Q162-R164 PolarHBondContact O-N 3.25Å
163	I	54.6	Low	61.8	Low	99 Å²	99	66.5 Å²	66.5	51%	0.508	37%	0.367	S	S	.	.			trans	-54.6	110.5	168.7	-18.9	178	0	0	0	106.9	F161 P165 N213 N214	F161-I163 PolarHBondContact O-N 3.27Å; I163-P165 WeakPolarHBondContact O-CD 3.28Å; I163-P165 VanDerWaalsContact O-N 3.11Å; I163-N213 CarbonylContact C-O 3.55Å; I163-N213 HydrophobicContact CB-CB 4.24Å; I163-N213 VanDerWaalsContact CB-O 3.29Å; I163-N213 WeakPolarHBondContact CB-O 3.47Å; I163-N213 WeakPolarHBondContact CG2-O 3.26Å; I163-N213 VanDerWaalsContact O-O 3.06Å; I163-N214 HydrophobicContact CG2-CB 4.35Å
164	R	60	Low	60.5	Low	93 Å²	93	77 Å²	77	35%	0.351	40%	0.401	S	S	.	.			trans	-65	110	-164.6	-174.3	173.3	-175.7	169.3	6.6	111.4	Q162 N213 C215	Q162-R164 PolarHBondContact O-N 3.25Å; R164-N213 CarbonylContact C-O 3.54Å; R164-N213 PolarHBondContact N-O 3.21Å; R164-N213 CarbonylContact O-C 3.51Å; R164-N213 VanDerWaalsContact O-C 3.24Å; R164-C215 WeakPolarHBondContact CD-O 3.3Å; R164-C215 HydrophobicContact CG-CB 4.33Å; R164-C215 WeakPolarHBondContact O-CA 3.26Å; R164-C215 WeakPolarHBondContact O-CB 3.4Å; R164-C215 PolarHBondContact O-N 2.94Å
165	P	63.6	Low	59.7	Low	41 Å²	41	75 Å²	75	27%	0.266	38%	0.384	S	S	.	.			trans	-64.5	151.5	-179.8	27.8	-34.9	0	0	0	111.1	I163 A167 N213	I163-P165 WeakPolarHBondContact O-CD 3.28Å; I163-P165 VanDerWaalsContact O-N 3.11Å; P165-A167 PolarHBondContact O-N 3.3Å; P165-N213 HydrophobicContact CB-CB 4.41Å
166	H	73.2	Confident	59.4	Low	6 Å²	6	76.9 Å²	76.9	3%	0.028	39%	0.392	C	S	.	.			trans	-70	112.5	170.8	-72.1	-108.1	0	0	0	109.1	L168 C196 C199 Y203 P212 C215	H166-L168 HydrophobicContact CB-CD1 4.38Å; H166-L168 HydrophobicContact CB-CD2 3.97Å; H166-L168 HydrophobicContact CB-CG 3.9Å; H166-L168 WeakPolarHBondContact O-CG 3.36Å; H166-L168 PolarHBondContact O-N 2.87Å; H166-C196 HydrophobicContact CB-CB 4.32Å; H166-C199 PolarHBondContact CE1-SG 2.88Å; H166-Y203 AromaticContact CE1-CZ 3.94Å; H166-Y203 PolarHBondContact CE1-OH 2.83Å; H166-Y203 AromaticContact ND1-CE2 3.78Å; H166-Y203 AromaticContact ND1-CZ 3.89Å; H166-Y203 PolarHBondContact ND1-OH 2.98Å; H166-P212 PolarHBondContact CD2-O 2.77Å; H166-C215 HydrophobicContact CB-CB 4.42Å; H166-C215 WeakPolarHBondContact NE2-CA 3.27Å; H166-C215 PolarHBondContact NE2-N 3.27Å
167	A	72.6	Confident	59.4	Low	38 Å²	38	76.6 Å²	76.6	31%	0.314	39%	0.389	S	S	.	.			trans	-75.3	101.1	169.8	0	0	0	0	0	108.6	P165 C196 D197	P165-A167 PolarHBondContact O-N 3.3Å; A167-C196 WeakPolarHBondContact O-CA 3.47Å; A167-D197 PolarHBondContact O-N 2.87Å
168	L	74.3	Confident	60.1	Low	2 Å²	2	78 Å²	78	1%	0.01	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	105.4	-163.4	-75.2	176.4	0	0	0	112.1	H166 L194 C196 Y203 A208 I211 R639 F640	H166-L168 HydrophobicContact CB-CD1 4.38Å; H166-L168 HydrophobicContact CB-CD2 3.97Å; H166-L168 HydrophobicContact CB-CG 3.9Å; H166-L168 WeakPolarHBondContact O-CG 3.36Å; H166-L168 PolarHBondContact O-N 2.87Å; L168-L194 HydrophobicContact CB-CB 4.12Å; L168-L194 HydrophobicContact CB-CD1 4.14Å; L168-L194 HydrophobicContact CD1-CB 4.47Å; L168-L194 HydrophobicContact CD1-CD1 3.87Å; L168-L194 HydrophobicContact CD2-CB 4.05Å; L168-L194 HydrophobicContact CG-CB 4.43Å; L168-L194 HydrophobicContact CG-CD1 4.5Å; L168-C196 HydrophobicContact CD2-CB 4.08Å; L168-Y203 HydrophobicContact CD2-CD2 3.66Å; L168-Y203 HydrophobicContact CD2-CE2 4.09Å; L168-A208 HydrophobicContact CD1-CB 4.07Å; L168-I211 HydrophobicContact CD1-CD1 3.92Å; L168-R639 PolarHBondContact N-O 3.24Å; L168-F640 HydrophobicContact CB-CE1 4.15Å; L168-F640 VanDerWaalsContact O-CD1 3.28Å; L168-F640 WeakPolarHBondContact O-CD1 3.19Å; L168-F640 WeakPolarHBondContact O-CE1 3.3Å
169	N	64.9	Low	61.4	Low	67 Å²	67	69.4 Å²	69.4	36%	0.358	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	140.5	172.6	-89	-41.2	0	0	0	111.9	H171 L194 K195 D197	N169-H171 PolarHBondContact O-N 2.93Å; N169-L194 CarbonylContact O-C 2.86Å; N169-L194 WeakPolarHBondContact O-CA 3.28Å; N169-K195 PolarHBondContact N-O 3.36Å; N169-K195 PolarHBondContact O-N 2.91Å; N169-D197 PolarHBondContact ND2-OD1 2.96Å; N169-D197 PolarHBondContact ND2-OD2 2.81Å
170	V	67.2	Low	62.9	Low	31 Å²	31	66.7 Å²	66.7	19%	0.188	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	118	-179	-162.7	0	0	0	0	109.3	R191 L194 Q614	V170-R191 HydrophobicContact CB-CG 4.43Å; V170-R191 HydrophobicContact CG1-CB 3.6Å; V170-R191 HydrophobicContact CG1-CG 3.69Å; V170-L194 HydrophobicContact CB-CD2 4.2Å; V170-L194 HydrophobicContact CG1-CD2 4.24Å; V170-L194 HydrophobicContact CG2-CD2 3.84Å; V170-Q614 HydrophobicContact CB-CG 4.29Å; V170-Q614 HydrophobicContact CG1-CG 4.05Å; V170-Q614 HydrophobicContact CG2-CG 3.47Å; V170-Q614 VanDerWaalsContact CG2-CG 3.47Å
171	H	61.1	Low	64	Low	72 Å²	72	69 Å²	69	33%	0.333	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.4	-166.6	-164	57.4	0	0	0	113.3	N169 Y173 R191 Q192 G193 K195	N169-H171 PolarHBondContact O-N 2.93Å; H171-Y173 HydrophobicContact CB-CE2 3.96Å; H171-Y173 AromaticContact CD2-CE1 3.68Å; H171-Y173 AromaticContact CD2-CZ 3.63Å; H171-Y173 WeakPolarHBondContact O-CD2 3.38Å; H171-Y173 WeakPolarHBondContact O-CE2 3.44Å; H171-R191 CarbonylContact O-C 3.07Å; H171-R191 VanDerWaalsContact O-CA 3.26Å; H171-R191 WeakPolarHBondContact O-CA 3.11Å; H171-Q192 PolarHBondContact O-N 3.2Å; H171-G193 PolarHBondContact N-O 3.3Å; H171-K195 HydrophobicContact CB-CB 3.63Å; H171-K195 HydrophobicContact CB-CD 4.42Å; H171-K195 VanDerWaalsContact CD2-CD 3.41Å; H171-K195 WeakPolarHBondContact CD2-CD 3.23Å
172	S	60.9	Low	64.5	Low	49 Å²	49	67.9 Å²	67.9	34%	0.343	35%	0.352	S	S	.	.			trans	-106	112.9	-178.2	-53.6	0	0	0	0	109.6	V190 R191	S172-V190 WeakPolarHBondContact OG-CG1 3.28Å; S172-R191 PolarHBondContact OG-N 3.44Å
173	Y	60.8	Low	65	Low	27 Å²	27	64.3 Å²	64.3	11%	0.106	35%	0.351	C	S	.	.			trans	-90.3	131.1	-176.3	-62.6	-91.2	0	0	0	109.7	H171 A175 A177 L186 Q192 L194 N202	H171-Y173 HydrophobicContact CB-CE2 3.96Å; H171-Y173 AromaticContact CD2-CE1 3.68Å; H171-Y173 AromaticContact CD2-CZ 3.63Å; H171-Y173 WeakPolarHBondContact O-CD2 3.38Å; H171-Y173 WeakPolarHBondContact O-CE2 3.44Å; Y173-A175 VanDerWaalsContact C-N 3.32Å; Y173-A177 HydrophobicContact CD1-CB 3.25Å; Y173-A177 HydrophobicContact CD2-CB 4.34Å; Y173-A177 HydrophobicContact CE1-CB 3.75Å; Y173-A177 HydrophobicContact CG-CB 3.59Å; Y173-L186 HydrophobicContact CD2-CD1 4.12Å; Y173-L186 HydrophobicContact CE1-CD1 4.3Å; Y173-L186 HydrophobicContact CE2-CD1 3.61Å; Y173-Q192 HydrophobicContact CD2-CB 4.17Å; Y173-Q192 PolarHBondContact O-NE2 3.03Å; Y173-L194 PolarHBondContact OH-O 2.79Å; Y173-N202 HydrophobicContact CE1-CB 4.16Å; Y173-N202 WeakPolarHBondContact CE1-OD1 3.48Å; Y173-N202 VanDerWaalsContact OH-CB 3.29Å; Y173-N202 WeakPolarHBondContact OH-CB 3.42Å; Y173-N202 PolarHBondContact OH-OD1 2.67Å
174	R	50.3	Low	65.4	Low	258 Å²	258	64.5 Å²	64.5	97%	0.974	35%	0.35	S	S	*	.	S	Bend	trans	-91.5	6.6	178.2	-62	-177.6	179.7	175.9	-2.4	113.5
175	A	48.4	Very low	65.1	Low	68 Å²	68	63 Å²	63	56%	0.562	35%	0.347	S	S	*	.	S	Bend	trans	-156.2	159	-179.4	0	0	0	0	0	108.3	Y173 A177	Y173-A175 VanDerWaalsContact C-N 3.32Å; A175-A177 PolarHBondContact O-N 3.22Å
176	P	55.9	Low	64.7	Low	100 Å²	100	61.4 Å²	61.4	65%	0.649	34%	0.337	S	S	*	.			trans	-56.1	111.3	178.4	-26.4	35.7	0	0	0	112.2	M185	P176-M185 HydrophobicContact CB-CE 3.97Å; P176-M185 HydrophobicContact CB-SD 4.19Å
177	A	59.1	Low	63.4	Low	16 Å²	16	67.7 Å²	67.7	13%	0.132	36%	0.364	C	S	.	.			trans	-108.9	159	178.2	0	0	0	0	0	110.4	Y173 A175 M185 L186	Y173-A177 HydrophobicContact CD1-CB 3.25Å; Y173-A177 HydrophobicContact CD2-CB 4.34Å; Y173-A177 HydrophobicContact CE1-CB 3.75Å; Y173-A177 HydrophobicContact CG-CB 3.59Å; A175-A177 PolarHBondContact O-N 3.22Å; A177-M185 CarbonylContact O-C 3.09Å; A177-M185 WeakPolarHBondContact O-CA 3.25Å; A177-M185 WeakPolarHBondContact O-CG 3.43Å; A177-L186 HydrophobicContact CB-CD1 3.97Å; A177-L186 HydrophobicContact CB-CG 4.45Å; A177-L186 PolarHBondContact O-N 3.48Å
178	F	73.5	Confident	62	Low	104 Å²	104	68.4 Å²	68.4	46%	0.456	38%	0.375	S	S	.	.	B	Isolated β-bridge	trans	-125.2	154.8	-175.6	-63.9	-95.9	0	0	0	110.5	D180 G183 M185	F178-D180 PolarHBondContact O-N 2.75Å; F178-G183 WeakPolarHBondContact CD1-O 3.17Å; F178-M185 HydrophobicContact CD1-CB 3.95Å; F178-M185 HydrophobicContact CD1-CG 4.5Å; F178-M185 HydrophobicContact CE1-CB 3.82Å; F178-M185 HydrophobicContact CE1-CE 3.84Å; F178-M185 HydrophobicContact CE1-CG 4.24Å; F178-M185 HydrophobicContact CE2-CE 4.38Å; F178-M185 HydrophobicContact CZ-CE 3.53Å; F178-M185 HydrophobicContact CZ-CG 4.48Å
179	C	79.1	Confident	60.3	Low	1 Å²	1	70.9 Å²	70.9	1%	0.007	39%	0.388	C	S	.	.			trans	-78.7	111.7	175.4	-179.6	0	0	0	0	109.8	H181 C182 G183 E184 L186 N202 H204	C179-H181 PolarHBondContact O-N 3.43Å; C179-C182 PolarHBondContact O-N 3.29Å; C179-C182 VanDerWaalsContact SG-SG 3.63Å; C179-G183 WeakPolarHBondContact O-CA 3.42Å; C179-G183 PolarHBondContact O-N 3.06Å; C179-E184 WeakPolarHBondContact CB-O 3.31Å; C179-E184 PolarHBondContact N-O 3.33Å; C179-L186 HydrophobicContact CB-CD2 3.88Å; C179-N202 CarbonylContact C-O 3.6Å; C179-N202 WeakPolarHBondContact CA-O 3.31Å; C179-H204 VanDerWaalsContact CB-CE1 3.47Å; C179-H204 WeakPolarHBondContact CB-CE1 3.49Å; C179-H204 VanDerWaalsContact CB-ND1 3.27Å; C179-H204 WeakPolarHBondContact CB-ND1 3.27Å; C179-H204 PolarHBondContact SG-N 3.42Å; C179-H204 VanDerWaalsContact SG-N 3.41Å
180	D	82.2	Confident	59.1	Low	87 Å²	87	70.7 Å²	70.7	47%	0.465	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-3.8	178	-69	-64	0	0	0	113.3	F178 L201 N202 Y203	F178-D180 PolarHBondContact O-N 2.75Å; D180-L201 HydrophobicContact CB-CB 4.18Å; D180-L201 HydrophobicContact CB-CD2 4.36Å; D180-N202 WeakPolarHBondContact CB-O 3.46Å; D180-N202 PolarHBondContact N-O 3.04Å; D180-N202 WeakPolarHBondContact OD2-CB 3.26Å; D180-N202 PolarHBondContact OD2-N 3.3Å; D180-N202 PolarHBondContact OD2-ND2 3.07Å; D180-Y203 HydrophobicContact CB-CE1 4.14Å
181	H	75.8	Confident	58.4	Low	84 Å²	84	72.2 Å²	72.2	39%	0.389	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-40.5	172	173.6	79.9	0	0	0	114	C179 Y203 S210 I211	C179-H181 PolarHBondContact O-N 3.43Å; H181-Y203 HydrophobicContact CB-CD1 3.76Å; H181-Y203 HydrophobicContact CB-CE1 3.97Å; H181-S210 PolarHBondContact CE1-O 2.71Å; H181-S210 WeakPolarHBondContact NE2-CB 3.46Å; H181-I211 HydrophobicContact CB-CG1 4.35Å
182	C	65.6	Low	58.3	Low	52 Å²	52	69.8 Å²	69.8	35%	0.351	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.6	3.8	-173.4	80.2	0	0	0	0	115.3	C179 E184 H204 C207	C179-C182 PolarHBondContact O-N 3.29Å; C179-C182 VanDerWaalsContact SG-SG 3.63Å; C182-E184 PolarHBondContact O-N 3.14Å; C182-H204 PolarHBondContact SG-ND1 2.89Å; C182-H204 VanDerWaalsContact SG-ND1 3.36Å; C182-C207 VanDerWaalsContact SG-SG 3.66Å
183	G	61.5	Low	58.6	Low	56 Å²	56	67.4 Å²	67.4	58%	0.577	36%	0.364	S	S	*	.			trans	70.7	-16.8	176.3	0	0	0	0	0	116.5	F178 C179	F178-G183 WeakPolarHBondContact CD1-O 3.17Å; C179-G183 WeakPolarHBondContact O-CA 3.42Å; C179-G183 PolarHBondContact O-N 3.06Å
184	E	62.6	Low	59.3	Low	103 Å²	103	66.2 Å²	66.2	48%	0.481	36%	0.359	S	S	.	.			trans	-73.6	153.1	177.7	-70.9	-178	-174.3	0	0	112.7	C179 C182 H204 R206	C179-E184 WeakPolarHBondContact CB-O 3.31Å; C179-E184 PolarHBondContact N-O 3.33Å; C182-E184 PolarHBondContact O-N 3.14Å; E184-H204 PolarHBondContact O-CE1 3.4Å; E184-H204 VanDerWaalsContact O-CE1 3.31Å; E184-R206 IonicContact OE2-CZ 3.61Å; E184-R206 IonicContact OE2-NH1 3.22Å; E184-R206 PolarHBondContact OE2-NH1 2.94Å; E184-R206 IonicContact OE2-NH2 2.76Å; E184-R206 PolarHBondContact OE2-NH2 2.88Å
185	M	55.1	Low	60.8	Low	62 Å²	62	57.2 Å²	57.2	31%	0.305	33%	0.327	S	S	.	.	B	Isolated β-bridge	trans	-69.1	142.8	-177.3	-170.7	-179.4	-72.5	0	0	112.8	P176 A177 F178 F187 H204	P176-M185 HydrophobicContact CB-CE 3.97Å; P176-M185 HydrophobicContact CB-SD 4.19Å; A177-M185 CarbonylContact O-C 3.09Å; A177-M185 WeakPolarHBondContact O-CA 3.25Å; A177-M185 WeakPolarHBondContact O-CG 3.43Å; F178-M185 HydrophobicContact CD1-CB 3.95Å; F178-M185 HydrophobicContact CD1-CG 4.5Å; F178-M185 HydrophobicContact CE1-CB 3.82Å; F178-M185 HydrophobicContact CE1-CE 3.84Å; F178-M185 HydrophobicContact CE1-CG 4.24Å; F178-M185 HydrophobicContact CE2-CE 4.38Å; F178-M185 HydrophobicContact CZ-CE 3.53Å; F178-M185 HydrophobicContact CZ-CG 4.48Å; M185-F187 HydrophobicContact CB-CE1 4.12Å; M185-F187 HydrophobicContact CB-CE2 4.11Å; M185-F187 HydrophobicContact CB-CZ 3.85Å; M185-F187 HydrophobicContact CG-CE1 4.35Å; M185-F187 WeakPolarHBondContact O-CD2 3.48Å; M185-F187 VanDerWaalsContact O-CE2 3.31Å; M185-F187 WeakPolarHBondContact O-CE2 3.49Å; M185-F187 PolarHBondContact O-N 3.26Å; M185-F187 HydrophobicContact SD-CD1 4.34Å; M185-F187 HydrophobicContact SD-CE1 3.99Å; M185-H204 PolarHBondContact O-NE2 3.49Å
186	L	54.8	Low	62.5	Low	7 Å²	7	54 Å²	54	4%	0.037	30%	0.301	C	S	.	.			trans	-80.8	96.9	172.7	-55.3	-179.1	0	0	0	109.2	Y173 A177 C179 Q192 N202 Y203 H204	Y173-L186 HydrophobicContact CD2-CD1 4.12Å; Y173-L186 HydrophobicContact CE1-CD1 4.3Å; Y173-L186 HydrophobicContact CE2-CD1 3.61Å; A177-L186 HydrophobicContact CB-CD1 3.97Å; A177-L186 HydrophobicContact CB-CG 4.45Å; A177-L186 PolarHBondContact O-N 3.48Å; C179-L186 HydrophobicContact CB-CD2 3.88Å; L186-Q192 HydrophobicContact CB-CB 3.92Å; L186-N202 HydrophobicContact CD1-CB 4.01Å; L186-Y203 VanDerWaalsContact CD2-C 3.5Å; L186-H204 HydrophobicContact CD2-CB 4.42Å
187	F	45.9	Very low	63.3	Low	138 Å²	138	53.9 Å²	53.9	61%	0.605	29%	0.294	S	S	*	.			trans	-79.3	152.5	-174.2	-64.4	-77.1	0	0	0	114.1	M185 Q192	M185-F187 HydrophobicContact CB-CE1 4.12Å; M185-F187 HydrophobicContact CB-CE2 4.11Å; M185-F187 HydrophobicContact CB-CZ 3.85Å; M185-F187 HydrophobicContact CG-CE1 4.35Å; M185-F187 WeakPolarHBondContact O-CD2 3.48Å; M185-F187 VanDerWaalsContact O-CE2 3.31Å; M185-F187 WeakPolarHBondContact O-CE2 3.49Å; M185-F187 PolarHBondContact O-N 3.26Å; M185-F187 HydrophobicContact SD-CD1 4.34Å; M185-F187 HydrophobicContact SD-CE1 3.99Å; F187-Q192 VanDerWaalsContact O-CB 3.32Å; F187-Q192 WeakPolarHBondContact O-CB 3.48Å; F187-Q192 WeakPolarHBondContact O-CG 3.47Å
188	G	42.1	Very low	63.9	Low	52 Å²	52	53.7 Å²	53.7	54%	0.536	29%	0.294	S	S	.	.	S	Bend	trans	109.1	176.8	178.9	0	0	0	0	0	113.8	Q192	G188-Q192 WeakPolarHBondContact O-CG 3.43Å; G188-Q192 PolarHBondContact O-NE2 3.07Å
189	L	39	Very low	64	Low	54 Å²	54	49.1 Å²	49.1	28%	0.283	28%	0.275	S	S	.	.	S	Bend	trans	-94.5	-32	-176.3	-73.4	175.5	0	0	0	115	Q192 P768 E806 I810	L189-Q192 PolarHBondContact O-NE2 2.68Å; L189-Q192 VanDerWaalsContact O-NE2 3.08Å; L189-P768 HydrophobicContact CB-CB 3.73Å; L189-P768 HydrophobicContact CB-CG 3.74Å; L189-P768 HydrophobicContact CD1-CB 3.8Å; L189-P768 HydrophobicContact CG-CB 4.44Å; L189-E806 HydrophobicContact CD1-CG 3.95Å; L189-E806 VanDerWaalsContact CD1-OE1 3.24Å; L189-E806 WeakPolarHBondContact CD1-OE1 3.11Å; L189-E806 HydrophobicContact CD2-CB 4.27Å; L189-E806 HydrophobicContact CD2-CG 4.28Å; L189-E806 HydrophobicContact CG-CG 4.39Å; L189-E806 WeakPolarHBondContact CG-OE1 3.45Å; L189-I810 HydrophobicContact CD1-CD1 3.76Å
190	V	39.8	Very low	64.1	Low	64 Å²	64	50.5 Å²	50.5	39%	0.388	29%	0.289	S	S	.	.	S	Bend	trans	-147.4	145.4	-176.1	172.4	0	0	0	0	107.9	S172 Q192 P768	S172-V190 WeakPolarHBondContact OG-CG1 3.28Å; V190-Q192 PolarHBondContact O-N 2.9Å; V190-P768 HydrophobicContact CB-CG 3.33Å; V190-P768 HydrophobicContact CG1-CG 4.39Å; V190-P768 HydrophobicContact CG2-CB 4.39Å; V190-P768 HydrophobicContact CG2-CG 3.35Å
191	R	52.2	Low	64.3	Low	63 Å²	63	49.5 Å²	49.5	24%	0.238	28%	0.283	C	S	.	.	S	Bend	trans	51.1	39.1	-177.4	-68.8	-175.7	-155.6	162	15.6	113	V170 H171 S172 G193 K205 Q614 V764	V170-R191 HydrophobicContact CB-CG 4.43Å; V170-R191 HydrophobicContact CG1-CB 3.6Å; V170-R191 HydrophobicContact CG1-CG 3.69Å; H171-R191 CarbonylContact O-C 3.07Å; H171-R191 VanDerWaalsContact O-CA 3.26Å; H171-R191 WeakPolarHBondContact O-CA 3.11Å; S172-R191 PolarHBondContact OG-N 3.44Å; R191-G193 PolarHBondContact O-N 3.18Å; R191-K205 WeakPolarHBondContact O-CE 3.21Å; R191-K205 PolarHBondContact O-NZ 3Å; R191-Q614 VanDerWaalsContact CD-OE1 3.26Å; R191-V764 PolarHBondContact NH2-O 3Å
192	Q	59.5	Low	64.7	Low	20 Å²	20	46.9 Å²	46.9	9%	0.093	27%	0.272	C	S	.	.			trans	-60.7	-33.9	-178.2	-61.8	93	-28.3	0	0	112.8	H171 Y173 L186 F187 G188 L189 V190	H171-Q192 PolarHBondContact O-N 3.2Å; Y173-Q192 HydrophobicContact CD2-CB 4.17Å; Y173-Q192 PolarHBondContact O-NE2 3.03Å; L186-Q192 HydrophobicContact CB-CB 3.92Å; F187-Q192 VanDerWaalsContact O-CB 3.32Å; F187-Q192 WeakPolarHBondContact O-CB 3.48Å; F187-Q192 WeakPolarHBondContact O-CG 3.47Å; G188-Q192 WeakPolarHBondContact O-CG 3.43Å; G188-Q192 PolarHBondContact O-NE2 3.07Å; L189-Q192 PolarHBondContact O-NE2 2.68Å; L189-Q192 VanDerWaalsContact O-NE2 3.08Å; V190-Q192 PolarHBondContact O-N 2.9Å
193	G	67.3	Low	65.4	Low	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	-170.1	-176.9	0	0	0	0	0	112.5	H171 R191 Y203	H171-G193 PolarHBondContact N-O 3.3Å; R191-G193 PolarHBondContact O-N 3.18Å; G193-Y203 CarbonylContact C-O 3.6Å; G193-Y203 WeakPolarHBondContact CA-O 3.44Å
194	L	75.9	Confident	65.7	Low	2 Å²	2	43 Å²	43	1%	0.01	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	146.1	175.5	-54.5	177.7	0	0	0	108.6	L168 N169 V170 Y173 N202 Y203 K205 A208 F640	L168-L194 HydrophobicContact CB-CB 4.12Å; L168-L194 HydrophobicContact CB-CD1 4.14Å; L168-L194 HydrophobicContact CD1-CB 4.47Å; L168-L194 HydrophobicContact CD1-CD1 3.87Å; L168-L194 HydrophobicContact CD2-CB 4.05Å; L168-L194 HydrophobicContact CG-CB 4.43Å; L168-L194 HydrophobicContact CG-CD1 4.5Å; N169-L194 CarbonylContact O-C 2.86Å; N169-L194 WeakPolarHBondContact O-CA 3.28Å; V170-L194 HydrophobicContact CB-CD2 4.2Å; V170-L194 HydrophobicContact CG1-CD2 4.24Å; V170-L194 HydrophobicContact CG2-CD2 3.84Å; Y173-L194 PolarHBondContact OH-O 2.79Å; L194-N202 CarbonylContact O-C 3.54Å; L194-N202 WeakPolarHBondContact O-CA 3.48Å; L194-Y203 PolarHBondContact N-O 3.37Å; L194-Y203 PolarHBondContact O-N 2.84Å; L194-K205 HydrophobicContact CD2-CG 4.36Å; L194-K205 HydrophobicContact CG-CG 4.34Å; L194-A208 HydrophobicContact CD1-CB 3.64Å; L194-F640 HydrophobicContact CD1-CE1 4.17Å; L194-F640 HydrophobicContact CD1-CZ 4.09Å; L194-F640 HydrophobicContact CD2-CE1 4.25Å
195	K	81.8	Confident	65.9	Low	69 Å²	69	40.8 Å²	40.8	30%	0.3	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.4	174	-171.4	165.3	-177.9	167.9	0	109.3	N169 H171 G200 L201	N169-K195 PolarHBondContact N-O 3.36Å; N169-K195 PolarHBondContact O-N 2.91Å; H171-K195 HydrophobicContact CB-CB 3.63Å; H171-K195 HydrophobicContact CB-CD 4.42Å; H171-K195 VanDerWaalsContact CD2-CD 3.41Å; H171-K195 WeakPolarHBondContact CD2-CD 3.23Å; K195-G200 VanDerWaalsContact CE-O 3.3Å; K195-G200 WeakPolarHBondContact CE-O 3.44Å; K195-L201 CarbonylContact C-O 3.1Å; K195-L201 WeakPolarHBondContact CA-O 3.37Å
196	C	83.1	Confident	66.3	Low	1 Å²	1	43 Å²	43	1%	0.007	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	125	176.4	-174.7	0	0	0	0	110.8	H166 A167 L168 G198 C199 G200 L201 Y203 C215	H166-C196 HydrophobicContact CB-CB 4.32Å; A167-C196 WeakPolarHBondContact O-CA 3.47Å; L168-C196 HydrophobicContact CD2-CB 4.08Å; C196-G198 PolarHBondContact O-N 3.31Å; C196-C199 VanDerWaalsContact CB-SG 3.54Å; C196-C199 VanDerWaalsContact SG-SG 3.66Å; C196-G200 WeakPolarHBondContact O-CA 3.36Å; C196-G200 PolarHBondContact O-N 3.46Å; C196-L201 PolarHBondContact N-O 2.86Å; C196-Y203 HydrophobicContact CB-CE2 4.36Å; C196-C215 PolarHBondContact SG-SG 3.23Å
197	D	72.9	Confident	66.8	Low	96 Å²	96	43.1 Å²	43.1	51%	0.513	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.1	178	-89.9	19.3	0	0	0	113.1	A167 N169	A167-D197 PolarHBondContact O-N 2.87Å; N169-D197 PolarHBondContact ND2-OD1 2.96Å; N169-D197 PolarHBondContact ND2-OD2 2.81Å
198	G	72.5	Confident	67.7	Low	12 Å²	12	36.7 Å²	36.7	12%	0.124	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-76.7	177.6	0	0	0	0	0	112.7	C196 G200 A218	C196-G198 PolarHBondContact O-N 3.31Å; G198-G200 PolarHBondContact O-N 2.87Å; G198-A218 CarbonylContact O-C 3.58Å
199	C	76.3	Confident	68.4	Low	9 Å²	9	36.3 Å²	36.3	6%	0.061	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-10.6	-174.6	64.2	0	0	0	0	115	H166 C196 L201 S216	H166-C199 PolarHBondContact CE1-SG 2.88Å; C196-C199 VanDerWaalsContact CB-SG 3.54Å; C196-C199 VanDerWaalsContact SG-SG 3.66Å; C199-L201 HydrophobicContact CB-CG 4.34Å; C199-L201 PolarHBondContact O-N 3.28Å; C199-S216 WeakPolarHBondContact CB-OG 3.05Å
200	G	80.2	Confident	69.6	Low	29 Å²	29	37.2 Å²	37.2	30%	0.299	20%	0.195	S	C	.	.			trans	75.3	0.6	179.4	0	0	0	0	0	116.1	K195 C196 G198	K195-G200 VanDerWaalsContact CE-O 3.3Å; K195-G200 WeakPolarHBondContact CE-O 3.44Å; C196-G200 WeakPolarHBondContact O-CA 3.36Å; C196-G200 PolarHBondContact O-N 3.46Å; G198-G200 PolarHBondContact O-N 2.87Å
201	L	85.8	Confident	70.9	Confident	66 Å²	66	34.5 Å²	34.5	35%	0.346	18%	0.179	S	C	.	.			trans	-72.7	162	178.4	-60.9	-179.8	0	0	0	112.7	D180 K195 C196 C199 Y203	D180-L201 HydrophobicContact CB-CB 4.18Å; D180-L201 HydrophobicContact CB-CD2 4.36Å; K195-L201 CarbonylContact C-O 3.1Å; K195-L201 WeakPolarHBondContact CA-O 3.37Å; C196-L201 PolarHBondContact N-O 2.86Å; C199-L201 HydrophobicContact CB-CG 4.34Å; C199-L201 PolarHBondContact O-N 3.28Å; L201-Y203 HydrophobicContact CB-CE2 3.73Å; L201-Y203 VanDerWaalsContact CB-OH 3.29Å; L201-Y203 WeakPolarHBondContact CB-OH 3.37Å; L201-Y203 WeakPolarHBondContact CD1-OH 3.45Å
202	N	83.9	Confident	71.3	Confident	30 Å²	30	35.1 Å²	35.1	16%	0.16	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	137.8	-159.6	-46.9	-82	0	0	0	110.4	Y173 C179 D180 L186 L194	Y173-N202 HydrophobicContact CE1-CB 4.16Å; Y173-N202 WeakPolarHBondContact CE1-OD1 3.48Å; Y173-N202 VanDerWaalsContact OH-CB 3.29Å; Y173-N202 WeakPolarHBondContact OH-CB 3.42Å; Y173-N202 PolarHBondContact OH-OD1 2.67Å; C179-N202 CarbonylContact C-O 3.6Å; C179-N202 WeakPolarHBondContact CA-O 3.31Å; D180-N202 WeakPolarHBondContact CB-O 3.46Å; D180-N202 PolarHBondContact N-O 3.04Å; D180-N202 WeakPolarHBondContact OD2-CB 3.26Å; D180-N202 PolarHBondContact OD2-N 3.3Å; D180-N202 PolarHBondContact OD2-ND2 3.07Å; L186-N202 HydrophobicContact CD1-CB 4.01Å; L194-N202 CarbonylContact O-C 3.54Å; L194-N202 WeakPolarHBondContact O-CA 3.48Å
203	Y	80.7	Confident	71.4	Confident	9 Å²	9	36.2 Å²	36.2	4%	0.035	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	150.9	-167.7	-54.8	-81.1	0	0	0	112.8	H166 L168 D180 H181 L186 G193 L194 C196 L201 I211	H166-Y203 AromaticContact CE1-CZ 3.94Å; H166-Y203 PolarHBondContact CE1-OH 2.83Å; H166-Y203 AromaticContact ND1-CE2 3.78Å; H166-Y203 AromaticContact ND1-CZ 3.89Å; H166-Y203 PolarHBondContact ND1-OH 2.98Å; L168-Y203 HydrophobicContact CD2-CD2 3.66Å; L168-Y203 HydrophobicContact CD2-CE2 4.09Å; D180-Y203 HydrophobicContact CB-CE1 4.14Å; H181-Y203 HydrophobicContact CB-CD1 3.76Å; H181-Y203 HydrophobicContact CB-CE1 3.97Å; L186-Y203 VanDerWaalsContact CD2-C 3.5Å; G193-Y203 CarbonylContact C-O 3.6Å; G193-Y203 WeakPolarHBondContact CA-O 3.44Å; L194-Y203 PolarHBondContact N-O 3.37Å; L194-Y203 PolarHBondContact O-N 2.84Å; C196-Y203 HydrophobicContact CB-CE2 4.36Å; L201-Y203 HydrophobicContact CB-CE2 3.73Å; L201-Y203 VanDerWaalsContact CB-OH 3.29Å; L201-Y203 WeakPolarHBondContact CB-OH 3.37Å; L201-Y203 WeakPolarHBondContact CD1-OH 3.45Å; Y203-I211 HydrophobicContact CD1-CD1 3.36Å; Y203-I211 HydrophobicContact CD1-CG1 3.66Å; Y203-I211 HydrophobicContact CD2-CD1 3.71Å; Y203-I211 HydrophobicContact CE1-CD1 3.79Å; Y203-I211 HydrophobicContact CE1-CG1 3.87Å; Y203-I211 HydrophobicContact CE1-CG2 4.1Å; Y203-I211 HydrophobicContact CE2-CD1 4.1Å; Y203-I211 HydrophobicContact CG-CD1 3.3Å; Y203-I211 HydrophobicContact CG-CG1 4.14Å
204	H	69.3	Low	71.3	Confident	16 Å²	16	40.1 Å²	40.1	7%	0.074	22%	0.218	C	C	.	.			trans	-69	151.6	166.1	-64.7	107.8	0	0	0	111	C179 C182 E184 M185 L186 R206 C207 A208	C179-H204 VanDerWaalsContact CB-CE1 3.47Å; C179-H204 WeakPolarHBondContact CB-CE1 3.49Å; C179-H204 VanDerWaalsContact CB-ND1 3.27Å; C179-H204 WeakPolarHBondContact CB-ND1 3.27Å; C179-H204 PolarHBondContact SG-N 3.42Å; C179-H204 VanDerWaalsContact SG-N 3.41Å; C182-H204 PolarHBondContact SG-ND1 2.89Å; C182-H204 VanDerWaalsContact SG-ND1 3.36Å; E184-H204 PolarHBondContact O-CE1 3.4Å; E184-H204 VanDerWaalsContact O-CE1 3.31Å; M185-H204 PolarHBondContact O-NE2 3.49Å; L186-H204 HydrophobicContact CD2-CB 4.42Å; H204-R206 VanDerWaalsContact C-N 3.34Å; H204-R206 HydrophobicContact CB-CG 3.84Å; H204-R206 PolarHBondContact CE1-NH2 3.43Å; H204-R206 PolarHBondContact ND1-NH2 3.07Å; H204-R206 PolarHBondContact O-N 3.24Å; H204-C207 HydrophobicContact CB-CB 4.04Å; H204-C207 PolarHBondContact O-N 2.85Å; H204-A208 PolarHBondContact O-N 3.45Å
205	K	65.6	Low	71.2	Confident	57 Å²	57	40.3 Å²	40.3	25%	0.248	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-48.2	169.2	-62.9	165.5	-172	165.2	0	111.7	R191 L194 C207 A208	R191-K205 WeakPolarHBondContact O-CE 3.21Å; R191-K205 PolarHBondContact O-NZ 3Å; L194-K205 HydrophobicContact CD2-CG 4.36Å; L194-K205 HydrophobicContact CG-CG 4.34Å; K205-C207 VanDerWaalsContact C-N 3.27Å; K205-C207 PolarHBondContact O-N 3.38Å; K205-A208 VanDerWaalsContact O-CB 3.27Å; K205-A208 WeakPolarHBondContact O-CB 3.41Å; K205-A208 PolarHBondContact O-N 3.21Å
206	R	62.9	Low	70.5	Confident	108 Å²	108	41.5 Å²	41.5	41%	0.408	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-34.2	174.4	76.3	-171.1	173	172.2	-0.9	113.6	E184 H204 A208 S612	E184-R206 IonicContact OE2-CZ 3.61Å; E184-R206 IonicContact OE2-NH1 3.22Å; E184-R206 PolarHBondContact OE2-NH1 2.94Å; E184-R206 IonicContact OE2-NH2 2.76Å; E184-R206 PolarHBondContact OE2-NH2 2.88Å; H204-R206 VanDerWaalsContact C-N 3.34Å; H204-R206 HydrophobicContact CB-CG 3.84Å; H204-R206 PolarHBondContact CE1-NH2 3.43Å; H204-R206 PolarHBondContact ND1-NH2 3.07Å; H204-R206 PolarHBondContact O-N 3.24Å; R206-A208 VanDerWaalsContact C-N 3.34Å; R206-S612 PolarHBondContact N-OG 3.41Å
207	C	65.9	Low	69.5	Low	10 Å²	10	42.3 Å²	42.3	7%	0.068	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-15.3	-175.9	-67	0	0	0	0	112.5	C182 H204 K205 F209 S210 I211	C182-C207 VanDerWaalsContact SG-SG 3.66Å; H204-C207 HydrophobicContact CB-CB 4.04Å; H204-C207 PolarHBondContact O-N 2.85Å; K205-C207 VanDerWaalsContact C-N 3.27Å; K205-C207 PolarHBondContact O-N 3.38Å; C207-F209 VanDerWaalsContact C-N 3.27Å; C207-F209 PolarHBondContact O-N 2.87Å; C207-S210 WeakPolarHBondContact O-CA 3.45Å; C207-S210 PolarHBondContact O-N 2.85Å; C207-I211 WeakPolarHBondContact O-CG1 3.5Å; C207-I211 PolarHBondContact O-N 3.38Å
208	A	65.7	Low	68.5	Low	3 Å²	3	40.2 Å²	40.2	3%	0.025	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-46.4	-51.6	-176.9	0	0	0	0	0	112.1	L168 L194 H204 K205 R206 S210 I211 R639	L168-A208 HydrophobicContact CD1-CB 4.07Å; L194-A208 HydrophobicContact CD1-CB 3.64Å; H204-A208 PolarHBondContact O-N 3.45Å; K205-A208 VanDerWaalsContact O-CB 3.27Å; K205-A208 WeakPolarHBondContact O-CB 3.41Å; K205-A208 PolarHBondContact O-N 3.21Å; R206-A208 VanDerWaalsContact C-N 3.34Å; A208-S210 PolarHBondContact O-N 2.79Å; A208-I211 PolarHBondContact O-N 3.13Å; A208-R639 PolarHBondContact O-NH1 3.07Å
209	F	56.6	Low	67	Low	45 Å²	45	50 Å²	50	20%	0.197	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-69.6	-12.9	-177.7	-65.6	-91	0	0	0	114.3	C207 V617 D636	C207-F209 VanDerWaalsContact C-N 3.27Å; C207-F209 PolarHBondContact O-N 2.87Å; F209-V617 HydrophobicContact CD2-CB 3.91Å; F209-V617 HydrophobicContact CD2-CG2 3.4Å; F209-V617 HydrophobicContact CE2-CB 3.85Å; F209-V617 HydrophobicContact CE2-CG2 3.56Å; F209-V617 HydrophobicContact CG-CG2 4.43Å; F209-D636 HydrophobicContact CE1-CB 4.18Å; F209-D636 HydrophobicContact CZ-CB 4.49Å
210	S	63.4	Low	65.2	Low	73 Å²	73	58.1 Å²	58.1	51%	0.51	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-100.6	-6.1	176.8	-51.9	0	0	0	0	113.8	H181 C207 A208	H181-S210 PolarHBondContact CE1-O 2.71Å; H181-S210 WeakPolarHBondContact NE2-CB 3.46Å; C207-S210 WeakPolarHBondContact O-CA 3.45Å; C207-S210 PolarHBondContact O-N 2.85Å; A208-S210 PolarHBondContact O-N 2.79Å
211	I	68	Low	62.9	Low	7 Å²	7	68.3 Å²	68.3	4%	0.036	34%	0.338	C	S	.	.	S	Bend	trans	-75	128.1	174	-52	158.1	0	0	0	108.3	L168 H181 Y203 C207 A208 R639	L168-I211 HydrophobicContact CD1-CD1 3.92Å; H181-I211 HydrophobicContact CB-CG1 4.35Å; Y203-I211 HydrophobicContact CD1-CD1 3.36Å; Y203-I211 HydrophobicContact CD1-CG1 3.66Å; Y203-I211 HydrophobicContact CD2-CD1 3.71Å; Y203-I211 HydrophobicContact CE1-CD1 3.79Å; Y203-I211 HydrophobicContact CE1-CG1 3.87Å; Y203-I211 HydrophobicContact CE1-CG2 4.1Å; Y203-I211 HydrophobicContact CE2-CD1 4.1Å; Y203-I211 HydrophobicContact CG-CD1 3.3Å; Y203-I211 HydrophobicContact CG-CG1 4.14Å; C207-I211 WeakPolarHBondContact O-CG1 3.5Å; C207-I211 PolarHBondContact O-N 3.38Å; A208-I211 PolarHBondContact O-N 3.13Å; I211-R639 PolarHBondContact O-NH2 3.43Å
212	P	60.5	Low	60.3	Low	75 Å²	75	76.5 Å²	76.5	49%	0.487	36%	0.364	S	S	.	.			trans	-60.8	156.7	170.8	-20.6	32.8	0	0	0	111.9	H166 N214	H166-P212 PolarHBondContact CD2-O 2.77Å; P212-N214 PolarHBondContact O-N 2.6Å
213	N	60.7	Low	57.7	Low	43 Å²	43	83.1 Å²	83.1	23%	0.23	40%	0.399	C	S	.	.	S	Bend	trans	-78.8	41.6	178.5	-69.4	-38.7	0	0	0	112.8	I163 R164 P165 R639	I163-N213 CarbonylContact C-O 3.55Å; I163-N213 HydrophobicContact CB-CB 4.24Å; I163-N213 VanDerWaalsContact CB-O 3.29Å; I163-N213 WeakPolarHBondContact CB-O 3.47Å; I163-N213 WeakPolarHBondContact CG2-O 3.26Å; I163-N213 VanDerWaalsContact O-O 3.06Å; R164-N213 CarbonylContact C-O 3.54Å; R164-N213 PolarHBondContact N-O 3.21Å; R164-N213 CarbonylContact O-C 3.51Å; R164-N213 VanDerWaalsContact O-C 3.24Å; P165-N213 HydrophobicContact CB-CB 4.41Å; N213-R639 PolarHBondContact OD1-NE 3.28Å; N213-R639 PolarHBondContact OD1-NH2 2.86Å
214	N	66.6	Low	55.1	Low	83 Å²	83	87.4 Å²	87.4	44%	0.444	43%	0.43	S	S	.	.			trans	-111	47.4	-174.7	67.8	-16.1	0	0	0	113.6	I163 P212 S216	I163-N214 HydrophobicContact CG2-CB 4.35Å; P212-N214 PolarHBondContact O-N 2.6Å; N214-S216 PolarHBondContact O-N 3.05Å
215	C	71.9	Confident	53.2	Low	6 Å²	6	93.1 Å²	93.1	4%	0.041	47%	0.466	C	S	.	.			trans	-67	103.3	178.6	172.6	0	0	0	0	111.3	R164 H166 C196 G217	R164-C215 WeakPolarHBondContact CD-O 3.3Å; R164-C215 HydrophobicContact CG-CB 4.33Å; R164-C215 WeakPolarHBondContact O-CA 3.26Å; R164-C215 WeakPolarHBondContact O-CB 3.4Å; R164-C215 PolarHBondContact O-N 2.94Å; H166-C215 HydrophobicContact CB-CB 4.42Å; H166-C215 WeakPolarHBondContact NE2-CA 3.27Å; H166-C215 PolarHBondContact NE2-N 3.27Å; C196-C215 PolarHBondContact SG-SG 3.23Å; C215-G217 PolarHBondContact O-N 3.43Å
216	S	67.4	Low	51.3	Low	93 Å²	93	96.3 Å²	96.3	65%	0.65	49%	0.491	S	S	*	.			trans	-55.2	-9.4	177.3	57.5	0	0	0	0	116.2	C199 N214 A218	C199-S216 WeakPolarHBondContact CB-OG 3.05Å; N214-S216 PolarHBondContact O-N 3.05Å; S216-A218 PolarHBondContact O-N 3.45Å
217	G	63.2	Low	49.6	Very low	18 Å²	18	96 Å²	96	19%	0.186	51%	0.505	C	S	.	.			trans	70	-19.5	163.2	0	0	0	0	0	116.9	C215	C215-G217 PolarHBondContact O-N 3.43Å
218	A	51.2	Low	47.8	Very low	53 Å²	53	103.3 Å²	103.3	44%	0.438	54%	0.543	S	S	.	.			trans	-79.9	126.2	179.6	0	0	0	0	0	111.2	G198 S216 K220	G198-A218 CarbonylContact O-C 3.58Å; S216-A218 PolarHBondContact O-N 3.45Å; A218-K220 PolarHBondContact O-N 3.14Å
219	R	41.8	Very low	45.9	Very low	216 Å²	216	107.5 Å²	107.5	82%	0.815	57%	0.572	S	S	*	*			trans	-68	73.5	166.4	-75	-177	171.8	176.8	-2	110.9	R221	R219-R221 PolarHBondContact O-N 3.19Å
220	K	38.9	Very low	44.4	Very low	181 Å²	181	111.1 Å²	111.1	79%	0.787	60%	0.603	S	S	*	*			trans	-62.8	100.8	165.6	-81.3	-175.2	175.1	175.4	0	108.2	A218 R222	A218-K220 PolarHBondContact O-N 3.14Å; K220-R222 VanDerWaalsContact C-N 3.26Å; K220-R222 PolarHBondContact O-N 3.39Å
221	R	31.7	Very low	42.7	Very low	242 Å²	242	113.3 Å²	113.3	91%	0.913	62%	0.618	S	S	*	*			trans	-64	85.4	171.6	-64.8	-175.5	-168	168.6	4.2	109	R219 L223	R219-R221 PolarHBondContact O-N 3.19Å; R221-L223 PolarHBondContact O-N 3.22Å; R221-L223 VanDerWaalsContact O-N 3.15Å
222	R	31.4	Very low	40.7	Very low	238 Å²	238	122.8 Å²	122.8	90%	0.898	66%	0.662	S	S	*	*			trans	-73.8	105.9	171.2	-132.6	-179.2	-169.6	-142	1.2	108.2	K220	K220-R222 VanDerWaalsContact C-N 3.26Å; K220-R222 PolarHBondContact O-N 3.39Å
223	L	27.4	Very low	39.1	Very low	169 Å²	169	124.4 Å²	124.4	89%	0.885	68%	0.675	S	S	*	*			trans	-57.6	148	168.7	-71.4	156.6	0	0	0	109.2	R221	R221-L223 PolarHBondContact O-N 3.22Å; R221-L223 VanDerWaalsContact O-N 3.15Å
224	S	28	Very low	37.4	Very low	100 Å²	100	129.1 Å²	129.1	70%	0.699	70%	0.7	S	S	*	*			trans	-119	153.5	-179.6	-61.7	0	0	0	0	109.3
225	T	28.9	Very low	35.4	Very low	135 Å²	135	135.9 Å²	135.9	83%	0.828	72%	0.719	S	S	*	*			trans	71.9	144.6	-168.6	73.3	0	0	0	0	112.8
226	T	26.1	Very low	33	Very low	125 Å²	125	143.2 Å²	143.2	77%	0.767	76%	0.757	S	S	*	*			cis	-143.9	175.8	10	-29.2	0	0	0	0	111.7
227	S	26.8	Very low	30.9	Very low	101 Å²	101	143.4 Å²	143.4	71%	0.706	76%	0.758	S	S	*	*			trans	-51.2	168.1	159.3	-19.8	0	0	0	0	112.4
228	L	27.8	Very low	29	Very low	163 Å²	163	148.7 Å²	148.7	85%	0.853	79%	0.787	S	S	*	*			cis	-158.4	-159.3	32.4	-129.7	164.3	0	0	0	111.3
229	S	24.9	Very low	27.9	Very low	92 Å²	92	151.2 Å²	151.2	64%	0.643	80%	0.802	S	S	*	*			trans	-73.5	161.3	-165.9	-50.2	0	0	0	0	118.6
230	S	26.3	Very low	27.1	Very low	121 Å²	121	149.5 Å²	149.5	85%	0.846	80%	0.803	S	S	*	*			trans	85.4	140.4	152.3	-20.3	0	0	0	0	118.4
231	S	27.3	Very low	26.6	Very low	118 Å²	118	145.1 Å²	145.1	83%	0.825	80%	0.795	S	S	*	*			trans	-105.5	139.1	-171.8	-44.9	0	0	0	0	113.6
232	Q	26.8	Very low	26.3	Very low	207 Å²	207	138.8 Å²	138.8	97%	0.967	78%	0.783	S	S	*	*			trans	-133.4	177.3	144	-74.6	-162.5	-3	0	0	109.2
233	S	25.7	Very low	26.1	Very low	109 Å²	109	137.6 Å²	137.6	76%	0.762	78%	0.78	S	S	*	*			trans	-129.7	166.4	-150.6	-160.8	0	0	0	0	115.1
234	L	24.4	Very low	26.1	Very low	141 Å²	141	134.3 Å²	134.3	74%	0.738	77%	0.771	S	S	*	*			trans	82	110.1	162.4	-59.7	172.5	0	0	0	120.8
235	R	24.7	Very low	26.1	Very low	226 Å²	226	136.8 Å²	136.8	85%	0.853	78%	0.782	S	S	*	*			trans	91.1	160.9	131.1	-70.4	-176.9	177.8	-152.3	-0.4	121.7
236	L	22.6	Very low	26	Very low	160 Å²	160	133.3 Å²	133.3	84%	0.838	77%	0.773	S	S	*	*			trans	-43.6	158.5	176.9	-77.7	64.4	0	0	0	114.7
237	S	22.6	Very low	26	Very low	96 Å²	96	134 Å²	134	67%	0.671	78%	0.777	S	S	*	*			cis	-167.2	178.3	-1.9	40.6	0	0	0	0	110.7
238	T	24.6	Very low	26	Very low	129 Å²	129	133.9 Å²	133.9	79%	0.791	78%	0.782	S	S	*	*			trans	3.3	133.4	156.5	54.2	0	0	0	0	118.3
239	S	26.3	Very low	26	Very low	107 Å²	107	131 Å²	131	75%	0.748	78%	0.775	S	S	*	*			cis	-165.3	-176.3	47.1	51.6	0	0	0	0	113.6
240	E	26.3	Very low	26.1	Very low	179 Å²	179	132 Å²	132	84%	0.836	78%	0.778	S	S	*	*			trans	8.8	155.1	150.2	-65.3	177.4	-177.9	0	0	122.5
241	S	28	Very low	26	Very low	89 Å²	89	131.6 Å²	131.6	62%	0.622	77%	0.774	S	S	*	*			cis	-171.9	159.3	-20	60.2	0	0	0	0	111.5
242	V	26.2	Very low	26.1	Very low	109 Å²	109	131.3 Å²	131.3	66%	0.661	77%	0.772	S	S	*	*			trans	49.8	148	158.3	-61.8	0	0	0	0	124.2
243	Y	27.4	Very low	26.1	Very low	214 Å²	214	130.1 Å²	130.1	84%	0.839	77%	0.766	S	S	*	*			trans	69.3	162.2	162.2	-55.1	-57.5	0	0	0	119.3
244	S	26.8	Very low	26.3	Very low	99 Å²	99	132.9 Å²	132.9	69%	0.692	77%	0.767	S	S	*	*			cis	-173.3	158	-49.3	-98.8	0	0	0	0	111.3
245	V	28.1	Very low	26.8	Very low	153 Å²	153	131.8 Å²	131.8	93%	0.927	77%	0.766	S	S	*	*			trans	69.9	142.9	167.5	-159.2	0	0	0	0	117.6
246	G	25.6	Very low	27	Very low	62 Å²	62	125.3 Å²	125.3	64%	0.639	76%	0.756	S	S	*	*			trans	145.4	86.5	150.2	0	0	0	0	0	119.9
247	T	27.2	Very low	27.4	Very low	138 Å²	138	125.1 Å²	125.1	85%	0.847	76%	0.755	S	S	*	*			trans	20.6	116.3	143.2	34.8	0	0	0	0	123.2
248	A	26.5	Very low	27.8	Very low	99 Å²	99	127.9 Å²	127.9	82%	0.818	76%	0.76	S	S	*	*				61.3	141.3	119.4	0	0	0	0	0	125
249	S	28.1	Very low	28	Very low	102 Å²	102	131.4 Å²	131.4	71%	0.713	76%	0.759	S	S	*	*			trans	112.9	110	137	-142	0	0	0	0	121.5
250	T	26.7	Very low	28.3	Very low	115 Å²	115	130.9 Å²	130.9	71%	0.706	76%	0.755	S	S	*	*			trans	56.7	128.5	131.1	56.7	0	0	0	0	125.3
251	C	24.3	Very low	28.6	Very low	111 Å²	111	129.2 Å²	129.2	75%	0.75	75%	0.747	S	S	*	*			trans	65.4	121.7	139.6	-56	0	0	0	0	120.3
252	S	28.7	Very low	28.7	Very low	112 Å²	112	131.3 Å²	131.3	78%	0.783	76%	0.757	S	S	*	*				85.6	160.9	88.9	-50.2	0	0	0	0	113.2
253	E	27.2	Very low	28.7	Very low	183 Å²	183	134.1 Å²	134.1	86%	0.855	76%	0.763	S	S	*	*			cis	-136.4	149	11.2	-74.9	-177.1	150.5	0	0	109.4
254	E	30.6	Very low	28.5	Very low	166 Å²	166	131.1 Å²	131.1	78%	0.776	76%	0.758	S	S	*	*				76.4	143.3	74.8	-110.1	-66.6	103.9	0	0	117
255	T	33.6	Very low	29.5	Very low	118 Å²	118	130.7 Å²	130.7	72%	0.724	75%	0.753	S	S	*	*			trans	67.7	157.1	172.5	32.5	0	0	0	0	120.9
256	S	29	Very low	29.5	Very low	90 Å²	90	134 Å²	134	63%	0.629	75%	0.748	S	S	*	*			cis	-166.8	143.9	6.4	31.8	0	0	0	0	116.8
257	L	32.2	Very low	29.4	Very low	156 Å²	156	137.1 Å²	137.1	82%	0.817	76%	0.756	S	S	*	*			trans	66.1	161.5	139.5	-56.9	168.9	0	0	0	120.3
258	I	30.8	Very low	30.3	Very low	155 Å²	155	136.2 Å²	136.2	80%	0.795	75%	0.752	S	S	*	*			cis	-152.5	-178.3	0.5	-132.2	161	0	0	0	114.9
259	R	29.6	Very low	30.2	Very low	203 Å²	203	135.9 Å²	135.9	77%	0.766	74%	0.744	S	S	*	*			trans	-75.4	-177.8	-176.4	-128.9	176.8	167.9	138.4	-4.3	114
260	S	32.3	Very low	30	Very low	95 Å²	95	139.7 Å²	139.7	66%	0.664	75%	0.75	S	S	*	*			cis	-176.1	148.3	28.9	31.3	0	0	0	0	118.3
261	H	32.3	Very low	29.8	Very low	144 Å²	144	137.9 Å²	137.9	67%	0.667	75%	0.747	S	S	*	*			trans	59	160.1	144.1	-67.8	-73.5	0	0	0	120.3
262	T	29	Very low	29.8	Very low	134 Å²	134	143.6 Å²	143.6	82%	0.822	75%	0.753	S	S	*	*			cis	-149	-158.8	18.4	-25.3	0	0	0	0	113.5
263	Q	26.8	Very low	29.7	Very low	168 Å²	168	148.7 Å²	148.7	79%	0.785	76%	0.755	S	S	*	*			trans	-122.7	175.1	-164	-83.2	-168.7	5.6	0	0	112.2
264	M	23.1	Very low	29.6	Very low	151 Å²	151	148.9 Å²	148.9	74%	0.744	75%	0.753	S	S	*	*			cis	-175	-161.9	-0.1	-108.6	-68.3	-168.9	0	0	107.3
265	P	48	Very low	29.3	Very low	89 Å²	89	151 Å²	151	58%	0.578	76%	0.756	S	S	*	*			cis	-135.6	-176.6	-46.1	41.1	-24.6	0	0	0	116.4
266	R	27.8	Very low	28.9	Very low	222 Å²	222	152.5 Å²	152.5	84%	0.838	76%	0.764	S	S	*	*			trans	86.2	105.1	148.6	-76.7	179.6	-174.6	142.5	2.9	125
267	T	23.8	Very low	28.9	Very low	129 Å²	129	151.8 Å²	151.8	79%	0.791	77%	0.771	S	S	*	*				64.6	167.4	127.4	62.5	0	0	0	0	122.6
268	P	45.7	Very low	28.7	Very low	118 Å²	118	156.3 Å²	156.3	77%	0.766	78%	0.777	S	S	*	*				-140.9	-174.7	-61.4	43.7	-26.2	0	0	0	116.3
269	S	24.4	Very low	28.7	Very low	93 Å²	93	154.2 Å²	154.2	65%	0.65	77%	0.774	S	S	*	*			trans	107.5	147.5	151	-142.8	0	0	0	0	123
270	E	23.9	Very low	28.9	Very low	182 Å²	182	151 Å²	151	85%	0.85	78%	0.776	S	S	*	*			trans	64.3	151.6	152.4	-79.3	156.4	-106.1	0	0	123.1
271	A	22.8	Very low	29.2	Very low	77 Å²	77	153.4 Å²	153.4	64%	0.636	78%	0.777	S	S	*	*			cis	-167.1	172.1	-10.9	0	0	0	0	0	115
272	R	24.9	Very low	29.2	Very low	230 Å²	230	152.4 Å²	152.4	87%	0.868	78%	0.776	S	S	*	*			trans	74.5	126.6	163.9	-61.6	173	-176.7	171	2	117
273	R	26.6	Very low	29.5	Very low	220 Å²	220	151.4 Å²	151.4	83%	0.83	77%	0.766	S	S	*	*				69.6	127	63.7	-65	-176.3	-172.1	177.4	4	112.6
274	F	24.3	Very low	29.7	Very low	186 Å²	186	152.6 Å²	152.6	82%	0.816	77%	0.768	S	S	*	*				-152.3	-173.1	61	-95.1	-84.8	0	0	0	116.5
275	Y	25.3	Very low	30.3	Very low	212 Å²	212	150.8 Å²	150.8	83%	0.831	76%	0.761	S	S	*	*			trans	-87.5	156.2	-167.9	-88	-108	0	0	0	117.2
276	T	25.3	Very low	29.9	Very low	148 Å²	148	152.3 Å²	152.3	91%	0.908	76%	0.763	S	S	*	*				-174.1	159.2	113.8	22.7	0	0	0	0	111.1
277	G	29.1	Very low	30.3	Very low	75 Å²	75	150.2 Å²	150.2	77%	0.773	77%	0.765	S	S	*	*			trans	-123.6	-176.3	-166.3	0	0	0	0	0	116.8
278	R	26.8	Very low	31.1	Very low	251 Å²	251	149.4 Å²	149.4	95%	0.947	76%	0.76	S	S	*	*			trans	-140.8	164.2	176.4	-94.7	-167.6	176.1	-168.1	-0.4	112.2
279	P	30.1	Very low	31.1	Very low	112 Å²	112	151.1 Å²	151.1	73%	0.727	76%	0.755	S	S	*	*			trans	-97.1	161.2	-143.2	36.4	-38.2	0	0	0	117.2	H281	P279-H281 PolarHBondContact O-N 2.94Å; P279-H281 VanDerWaalsContact O-N 3.14Å
280	V	35.3	Very low	32.3	Very low	134 Å²	134	152.9 Å²	152.9	81%	0.812	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74	94.4	176.5	-176.3	0	0	0	0	111.2
281	H	38	Very low	33.4	Very low	146 Å²	146	152.4 Å²	152.4	68%	0.676	76%	0.757	S	S	*	*	T	Hydrogen-bonded Turn	trans	-147.1	-17.9	165.7	-159.2	75.8	0	0	0	115.1	P279	P279-H281 PolarHBondContact O-N 2.94Å; P279-H281 VanDerWaalsContact O-N 3.14Å
282	L	32.4	Very low	35.4	Very low	123 Å²	123	152 Å²	152	64%	0.644	75%	0.747	S	S	*	*	S	Bend	trans	-79.1	-29.6	-174.9	-99.9	69	0	0	0	114.8	K284 I285	L282-K284 PolarHBondContact O-N 3.15Å; L282-K284 VanDerWaalsContact O-N 3.11Å; L282-I285 PolarHBondContact O-N 2.94Å
283	D	34.9	Very low	37.7	Very low	114 Å²	114	144.6 Å²	144.6	61%	0.61	73%	0.728	S	S	*	*	H	α-helix	trans	-63.5	-25.8	-168.7	-57	-46.2	0	0	0	113.8	I285	D283-I285 VanDerWaalsContact C-N 3.3Å; D283-I285 PolarHBondContact O-N 2.87Å
284	K	31.5	Very low	40.3	Very low	193 Å²	193	135 Å²	135	84%	0.839	69%	0.693	S	S	*	*	H	α-helix	trans	-75.1	-11.7	175.4	-85.2	-169.7	172.7	-176.5	0	114.8	L282 T288	L282-K284 PolarHBondContact O-N 3.15Å; L282-K284 VanDerWaalsContact O-N 3.11Å; K284-T288 PolarHBondContact O-OG1 2.79Å
285	I	36.2	Very low	43.3	Very low	113 Å²	113	129.6 Å²	129.6	58%	0.579	68%	0.675	S	S	*	*	H	α-helix	trans	-93.6	-22.8	179.6	-62.9	176.3	0	0	0	111.5	L282 D283	L282-I285 PolarHBondContact O-N 2.94Å; D283-I285 VanDerWaalsContact C-N 3.3Å; D283-I285 PolarHBondContact O-N 2.87Å
286	L	39.6	Very low	46.3	Very low	121 Å²	121	122 Å²	122	63%	0.634	65%	0.646	S	S	*	*	H	α-helix	trans	-82.5	-19	-177.9	-77.3	167.4	0	0	0	114.5
287	M	36	Very low	49.1	Very low	178 Å²	178	116.7 Å²	116.7	88%	0.877	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.4	-3	179.3	-58.4	-155.1	84.8	0	0	114.7
288	T	39.3	Very low	51.8	Low	111 Å²	111	117.7 Å²	117.7	68%	0.681	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104	2.7	-175.6	4.5	0	0	0	0	114.7	K284 V290	K284-T288 PolarHBondContact O-OG1 2.79Å; T288-V290 PolarHBondContact O-N 3.49Å
289	K	45.8	Very low	54.1	Low	155 Å²	155	109 Å²	109	67%	0.674	57%	0.573	S	S	*	*	S	Bend	trans	-67.5	127.8	174	-76.2	-168.5	173.3	-171.9	0	110.8	K291	K289-K291 PolarHBondContact O-N 2.74Å
290	V	50.4	Low	56.4	Low	129 Å²	129	106.2 Å²	106.2	78%	0.782	56%	0.557	S	S	*	*			trans	-60.5	128.9	176.7	178.4	0	0	0	0	109.9	T288 V292	T288-V290 PolarHBondContact O-N 3.49Å; V290-V292 HydrophobicContact CG1-CG2 4.34Å; V290-V292 PolarHBondContact O-N 2.75Å; V290-V292 VanDerWaalsContact O-N 3.15Å
291	K	47.6	Very low	58.1	Low	173 Å²	173	100.8 Å²	100.8	75%	0.752	52%	0.522	S	S	*	.			trans	-79.6	91.3	178.9	-78.3	-177.2	180	178.1	0	110.9	K289 N341	K289-K291 PolarHBondContact O-N 2.74Å; K291-N341 CarbonylContact C-O 3.59Å; K291-N341 WeakPolarHBondContact CA-O 3.49Å; K291-N341 WeakPolarHBondContact CB-O 3.01Å
292	V	63.9	Low	58.9	Low	69 Å²	69	100.9 Å²	100.9	42%	0.418	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-82.6	125.3	-177.9	-177.1	0	0	0	0	110.6	V290 N341 D342 C343	V290-V292 HydrophobicContact CG1-CG2 4.34Å; V290-V292 PolarHBondContact O-N 2.75Å; V290-V292 VanDerWaalsContact O-N 3.15Å; V292-N341 PolarHBondContact N-O 3.11Å; V292-N341 CarbonylContact O-C 3.55Å; V292-D342 PolarHBondContact O-N 2.78Å; V292-C343 VanDerWaalsContact O-CB 3.29Å; V292-C343 WeakPolarHBondContact O-CB 3.49Å; V292-C343 PolarHBondContact O-N 3.23Å
293	P	74.1	Confident	60.7	Low	74 Å²	74	104.7 Å²	104.7	48%	0.481	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-70.5	148.4	174.9	30.5	-35.3	0	0	0	111.9	N341	P293-N341 WeakPolarHBondContact CA-OD1 3.49Å; P293-N341 HydrophobicContact CB-CB 4.29Å; P293-N341 WeakPolarHBondContact CB-OD1 3.42Å
294	H	81.4	Confident	62.6	Low	19 Å²	19	105 Å²	105	9%	0.088	55%	0.547	C	S	.	.	P	Polyproline II helix	trans	-70.9	129.2	177.5	-71.3	-94.2	0	0	0	112.6	F296 C324 C327 F329 P340 D342 C343	H294-F296 VanDerWaalsContact C-N 3.28Å; H294-F296 HydrophobicContact CB-CD1 4.47Å; H294-F296 HydrophobicContact CB-CD2 3.87Å; H294-F296 HydrophobicContact CB-CE1 4.11Å; H294-F296 HydrophobicContact CB-CE2 3.48Å; H294-F296 VanDerWaalsContact CB-CE2 3.48Å; H294-F296 HydrophobicContact CB-CG 4.34Å; H294-F296 HydrophobicContact CB-CZ 3.58Å; H294-F296 AromaticContact CG-CZ 3.88Å; H294-F296 PolarHBondContact O-N 3.24Å; H294-C324 HydrophobicContact CB-CB 4.02Å; H294-C327 PolarHBondContact CE1-SG 3.09Å; H294-C327 PolarHBondContact ND1-SG 3.12Å; H294-F329 AromaticContact CE1-CG 3.93Å; H294-P340 PolarHBondContact CD2-O 2.87Å; H294-P340 VanDerWaalsContact CD2-O 3.24Å; H294-D342 IonicContact NE2-OD1 2.72Å; H294-C343 HydrophobicContact CB-CB 4.36Å
295	T	85.5	Confident	64.9	Low	71 Å²	71	97.3 Å²	97.3	44%	0.436	52%	0.516	S	S	.	.			trans	-77	75	173.5	-45.6	0	0	0	0	111.2	A297 C324 K325 D326	T295-A297 PolarHBondContact O-N 2.85Å; T295-C324 PolarHBondContact N-SG 3.29Å; T295-C324 VanDerWaalsContact N-SG 3.43Å; T295-C324 WeakPolarHBondContact O-CA 3.48Å; T295-K325 HydrophobicContact CG2-CD 4.18Å; T295-K325 HydrophobicContact CG2-CG 4.44Å; T295-K325 PolarHBondContact O-N 3.38Å; T295-D326 WeakPolarHBondContact CB-OD2 3.2Å; T295-D326 PolarHBondContact N-OD2 3.23Å; T295-D326 PolarHBondContact OG1-OD2 3.39Å
296	F	89	Confident	67.3	Low	54 Å²	54	95.2 Å²	95.2	24%	0.237	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	126.3	-178.9	-75.8	-57.9	0	0	0	113.4	H294 L322 C324 F329 A336 V339	H294-F296 VanDerWaalsContact C-N 3.28Å; H294-F296 HydrophobicContact CB-CD1 4.47Å; H294-F296 HydrophobicContact CB-CD2 3.87Å; H294-F296 HydrophobicContact CB-CE1 4.11Å; H294-F296 HydrophobicContact CB-CE2 3.48Å; H294-F296 VanDerWaalsContact CB-CE2 3.48Å; H294-F296 HydrophobicContact CB-CG 4.34Å; H294-F296 HydrophobicContact CB-CZ 3.58Å; H294-F296 AromaticContact CG-CZ 3.88Å; H294-F296 PolarHBondContact O-N 3.24Å; F296-L322 HydrophobicContact CB-CB 4.08Å; F296-L322 HydrophobicContact CB-CD1 4.25Å; F296-L322 HydrophobicContact CB-CD2 4.42Å; F296-L322 HydrophobicContact CB-CG 4.49Å; F296-L322 HydrophobicContact CD1-CB 3.82Å; F296-L322 HydrophobicContact CG-CB 4.16Å; F296-L322 HydrophobicContact CG-CD1 4.48Å; F296-C324 HydrophobicContact CD1-CB 4.26Å; F296-C324 HydrophobicContact CE1-CB 4.11Å; F296-F329 HydrophobicContact CE1-CD1 4.08Å; F296-F329 HydrophobicContact CZ-CD1 4.02Å; F296-A336 HydrophobicContact CD2-CB 3.9Å; F296-A336 HydrophobicContact CE2-CB 4.09Å; F296-A336 HydrophobicContact CG-CB 4.47Å; F296-V339 HydrophobicContact CE2-CB 4.19Å; F296-V339 HydrophobicContact CE2-CG2 4.19Å; F296-V339 HydrophobicContact CZ-CB 4.11Å; F296-V339 HydrophobicContact CZ-CG1 4.15Å; F296-V339 HydrophobicContact CZ-CG2 3.88Å
297	A	83.9	Confident	69.7	Low	35 Å²	35	89.5 Å²	89.5	29%	0.289	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	147.6	169.7	0	0	0	0	0	110.6	T295 H299 L322 Q323 K325	T295-A297 PolarHBondContact O-N 2.85Å; A297-H299 PolarHBondContact O-N 3.23Å; A297-L322 CarbonylContact O-C 3.53Å; A297-L322 VanDerWaalsContact O-CA 3.24Å; A297-L322 WeakPolarHBondContact O-CA 3.44Å; A297-Q323 PolarHBondContact N-O 2.84Å; A297-Q323 PolarHBondContact O-N 3.24Å; A297-K325 HydrophobicContact CB-CG 4.04Å
298	I	86.1	Confident	72.3	Confident	96 Å²	96	85 Å²	85	49%	0.492	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	127.3	174.8	-61	175	0	0	0	108.9	R319 L322	I298-R319 HydrophobicContact CG2-CB 3.54Å; I298-R319 HydrophobicContact CG2-CG 3.66Å; I298-L322 HydrophobicContact CB-CD2 4.39Å; I298-L322 HydrophobicContact CG1-CD2 3.67Å
299	H	75.6	Confident	74.6	Confident	68 Å²	68	84.3 Å²	84.3	32%	0.315	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	143.8	-174.4	-166.4	82.3	0	0	0	111.3	A297 Y301 R319 Q320 G321 Q323	A297-H299 PolarHBondContact O-N 3.23Å; H299-Y301 HydrophobicContact CB-CE2 4.01Å; H299-Y301 AromaticContact CD2-CD1 3.71Å; H299-Y301 AromaticContact CD2-CE1 3.54Å; H299-Y301 AromaticContact CD2-CE2 3.93Å; H299-Y301 AromaticContact CD2-CG 3.99Å; H299-Y301 AromaticContact CD2-CZ 3.68Å; H299-R319 CarbonylContact O-C 3.23Å; H299-R319 WeakPolarHBondContact O-CA 3.33Å; H299-Q320 PolarHBondContact O-N 3.33Å; H299-G321 PolarHBondContact N-O 3.49Å; H299-G321 VanDerWaalsContact N-O 3.09Å; H299-Q323 HydrophobicContact CB-CB 3.69Å
300	S	76.9	Confident	76.4	Confident	54 Å²	54	78.9 Å²	78.9	38%	0.378	42%	0.422	S	S	.	.			trans	-103.9	117	174.9	-67.9	0	0	0	0	109.1	R319	S300-R319 PolarHBondContact OG-N 2.85Å
301	Y	72.4	Confident	78.1	Confident	21 Å²	21	80.2 Å²	80.2	8%	0.082	42%	0.417	C	S	.	.			trans	-93.2	128.2	-174.6	-62.9	-90.4	0	0	0	110.8	H299 R303 T305 L314 Q320 L322 N330	H299-Y301 HydrophobicContact CB-CE2 4.01Å; H299-Y301 AromaticContact CD2-CD1 3.71Å; H299-Y301 AromaticContact CD2-CE1 3.54Å; H299-Y301 AromaticContact CD2-CE2 3.93Å; H299-Y301 AromaticContact CD2-CG 3.99Å; H299-Y301 AromaticContact CD2-CZ 3.68Å; Y301-R303 VanDerWaalsContact C-N 3.34Å; Y301-T305 HydrophobicContact CD1-CG2 3.6Å; Y301-T305 WeakPolarHBondContact CD1-OG1 3.5Å; Y301-T305 HydrophobicContact CE1-CG2 3.73Å; Y301-T305 HydrophobicContact CG-CG2 4.28Å; Y301-L314 HydrophobicContact CD2-CD1 3.75Å; Y301-L314 HydrophobicContact CE1-CD1 4.2Å; Y301-L314 HydrophobicContact CE2-CD1 3.37Å; Y301-L314 HydrophobicContact CG-CD1 4.3Å; Y301-Q320 HydrophobicContact CD2-CB 4.28Å; Y301-Q320 PolarHBondContact O-NE2 3.41Å; Y301-L322 PolarHBondContact OH-O 3.24Å; Y301-N330 HydrophobicContact CE1-CB 4.12Å; Y301-N330 WeakPolarHBondContact CE1-OD1 3.2Å; Y301-N330 WeakPolarHBondContact OH-CB 3.41Å; Y301-N330 PolarHBondContact OH-OD1 2.72Å
302	T	54.4	Low	79.7	Confident	147 Å²	147	80.3 Å²	80.3	90%	0.902	41%	0.413	S	S	*	.	S	Bend	trans	-87.1	-1.5	179.4	53.4	0	0	0	0	113.8
303	R	69.6	Low	80.6	Confident	204 Å²	204	80.7 Å²	80.7	77%	0.77	41%	0.412	S	S	*	.	S	Bend	trans	-135.5	153.2	174	-74.2	-175.9	168.5	-174	-4.8	110	Y301 T305	Y301-R303 VanDerWaalsContact C-N 3.34Å; R303-T305 PolarHBondContact O-N 2.7Å; R303-T305 PolarHBondContact O-OG1 3.05Å
304	P	75.1	Confident	80.9	Confident	119 Å²	119	77.7 Å²	77.7	77%	0.773	39%	0.392	S	S	*	.			trans	-54.2	98.5	173.5	-26.1	35.9	0	0	0	111.6	L313	P304-L313 HydrophobicContact CB-CD1 3.82Å
305	T	80.2	Confident	80.1	Confident	33 Å²	33	87.1 Å²	87.1	20%	0.202	43%	0.427	C	S	.	.			trans	-107.4	136.2	-170.8	-60.3	0	0	0	0	110.1	Y301 R303 L313 L314 N330	Y301-T305 HydrophobicContact CD1-CG2 3.6Å; Y301-T305 WeakPolarHBondContact CD1-OG1 3.5Å; Y301-T305 HydrophobicContact CE1-CG2 3.73Å; Y301-T305 HydrophobicContact CG-CG2 4.28Å; R303-T305 PolarHBondContact O-N 2.7Å; R303-T305 PolarHBondContact O-OG1 3.05Å; T305-L313 WeakPolarHBondContact O-CD1 3.31Å; T305-L314 HydrophobicContact CG2-CD1 3.99Å; T305-L314 VanDerWaalsContact O-CB 3.3Å; T305-L314 WeakPolarHBondContact O-CB 3.5Å; T305-L314 VanDerWaalsContact O-CG 3.27Å; T305-L314 WeakPolarHBondContact O-CG 3.23Å; T305-L314 PolarHBondContact O-N 3.43Å; T305-N330 HydrophobicContact CG2-CB 4.31Å
306	V	86.3	Confident	78.5	Confident	69 Å²	69	86.3 Å²	86.3	42%	0.418	43%	0.432	S	S	.	.	B	Isolated β-bridge	trans	-96.7	138.4	-176.6	177.8	0	0	0	0	110.4	Q308 K311 L313	V306-Q308 PolarHBondContact O-N 2.59Å; V306-Q308 VanDerWaalsContact O-N 3.15Å; V306-K311 WeakPolarHBondContact CG1-O 3.47Å; V306-L313 HydrophobicContact CG2-CD1 4.45Å
307	C	89.9	Confident	76.6	Confident	0 Å²	0	91 Å²	91	0%	0	46%	0.459	C	S	.	.			trans	-63.3	111.7	170.9	171.2	0	0	0	0	109.8	Y309 C310 K311 R312 L314 N330 C331 H332	C307-Y309 PolarHBondContact O-N 2.6Å; C307-Y309 VanDerWaalsContact O-N 3.13Å; C307-C310 PolarHBondContact SG-N 2.81Å; C307-C310 VanDerWaalsContact SG-N 3.42Å; C307-C310 VanDerWaalsContact SG-SG 3.64Å; C307-K311 VanDerWaalsContact O-CA 3.26Å; C307-K311 WeakPolarHBondContact O-CA 3.49Å; C307-K311 PolarHBondContact O-N 2.94Å; C307-R312 VanDerWaalsContact CB-O 3.3Å; C307-R312 WeakPolarHBondContact CB-O 3.46Å; C307-R312 PolarHBondContact N-O 2.87Å; C307-L314 HydrophobicContact CB-CD2 3.78Å; C307-N330 CarbonylContact C-O 3.44Å; C307-C331 VanDerWaalsContact SG-CA 3.57Å; C307-H332 VanDerWaalsContact CB-CE1 3.47Å; C307-H332 WeakPolarHBondContact CB-CE1 3.22Å; C307-H332 WeakPolarHBondContact CB-ND1 3.35Å; C307-H332 PolarHBondContact SG-N 2.78Å
308	Q	90.7	Very high	75.1	Confident	84 Å²	84	96.7 Å²	96.7	39%	0.393	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-22.3	-176.4	-72.8	172.8	-66.1	0	0	113.4	V306 K311 F329 N330	V306-Q308 PolarHBondContact O-N 2.59Å; V306-Q308 VanDerWaalsContact O-N 3.15Å; Q308-K311 WeakPolarHBondContact O-CE 3.18Å; Q308-K311 PolarHBondContact O-NZ 2.99Å; Q308-F329 HydrophobicContact CB-CD2 4.37Å; Q308-F329 HydrophobicContact CB-CE1 4.1Å; Q308-F329 HydrophobicContact CB-CE2 3.86Å; Q308-F329 HydrophobicContact CB-CZ 3.71Å; Q308-N330 PolarHBondContact N-O 2.89Å
309	Y	88.6	Confident	74.5	Confident	97 Å²	97	100 Å²	100	38%	0.38	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-78.5	167.7	-179.9	-99.6	0	0	0	112.2	C307 K311 C335 K338	C307-Y309 PolarHBondContact O-N 2.6Å; C307-Y309 VanDerWaalsContact O-N 3.13Å; Y309-K311 VanDerWaalsContact C-N 3.3Å; Y309-K311 PolarHBondContact O-N 3.45Å; Y309-C335 HydrophobicContact CD1-CB 3.88Å; Y309-C335 HydrophobicContact CG-CB 4.47Å; Y309-K338 HydrophobicContact CD1-CB 4.37Å; Y309-K338 HydrophobicContact CE1-CB 3.7Å; Y309-K338 HydrophobicContact CE1-CD 3.96Å; Y309-K338 HydrophobicContact CE1-CG 4.42Å; Y309-K338 HydrophobicContact CE2-CB 3.89Å; Y309-K338 WeakPolarHBondContact CE2-O 3.37Å; Y309-K338 VanDerWaalsContact CZ-CB 3.42Å; Y309-K338 WeakPolarHBondContact OH-CB 3.29Å
310	C	82.9	Confident	74.7	Confident	41 Å²	41	97.9 Å²	97.9	28%	0.277	47%	0.474	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	6.6	-171.5	76.2	0	0	0	0	116.1	C307 R312 H332	C307-C310 PolarHBondContact SG-N 2.81Å; C307-C310 VanDerWaalsContact SG-N 3.42Å; C307-C310 VanDerWaalsContact SG-SG 3.64Å; C310-R312 PolarHBondContact O-N 3.19Å; C310-H332 VanDerWaalsContact SG-CE1 3.54Å; C310-H332 PolarHBondContact SG-ND1 3.06Å
311	K	86.8	Confident	75.1	Confident	156 Å²	156	95.3 Å²	95.3	68%	0.678	46%	0.456	S	S	*	.			trans	53.9	19.4	179.7	-46.1	-56.3	-174.6	-173.4	0	116	V306 C307 Q308 Y309	V306-K311 WeakPolarHBondContact CG1-O 3.47Å; C307-K311 VanDerWaalsContact O-CA 3.26Å; C307-K311 WeakPolarHBondContact O-CA 3.49Å; C307-K311 PolarHBondContact O-N 2.94Å; Q308-K311 WeakPolarHBondContact O-CE 3.18Å; Q308-K311 PolarHBondContact O-NZ 2.99Å; Y309-K311 VanDerWaalsContact C-N 3.3Å; Y309-K311 PolarHBondContact O-N 3.45Å
312	R	80.2	Confident	76	Confident	176 Å²	176	95.4 Å²	95.4	66%	0.664	46%	0.458	S	S	*	.			trans	-106	149	175.6	-64.3	177.7	-172.5	-169.6	2.1	111.8	C307 C310 H332	C307-R312 VanDerWaalsContact CB-O 3.3Å; C307-R312 WeakPolarHBondContact CB-O 3.46Å; C307-R312 PolarHBondContact N-O 2.87Å; C310-R312 PolarHBondContact O-N 3.19Å; R312-H332 PolarHBondContact O-CE1 3.37Å; R312-H332 VanDerWaalsContact O-CE1 3.28Å
313	L	82.9	Confident	77.8	Confident	77 Å²	77	90.2 Å²	90.2	40%	0.403	42%	0.423	S	S	.	.	B	Isolated β-bridge	trans	-56.6	137.9	-178.9	-170.4	71.8	0	0	0	113	P304 T305 V306 R315 H332	P304-L313 HydrophobicContact CB-CD1 3.82Å; T305-L313 WeakPolarHBondContact O-CD1 3.31Å; V306-L313 HydrophobicContact CG2-CD1 4.45Å; L313-R315 PolarHBondContact O-N 3.1Å; L313-H332 PolarHBondContact O-NE2 2.78Å
314	L	81.4	Confident	78.7	Confident	10 Å²	10	80.5 Å²	80.5	5%	0.052	39%	0.387	C	S	.	.			trans	-74.3	102.1	167.7	-57.2	179.4	0	0	0	108.4	Y301 T305 C307 Q320 H332	Y301-L314 HydrophobicContact CD2-CD1 3.75Å; Y301-L314 HydrophobicContact CE1-CD1 4.2Å; Y301-L314 HydrophobicContact CE2-CD1 3.37Å; Y301-L314 HydrophobicContact CG-CD1 4.3Å; T305-L314 HydrophobicContact CG2-CD1 3.99Å; T305-L314 VanDerWaalsContact O-CB 3.3Å; T305-L314 WeakPolarHBondContact O-CB 3.5Å; T305-L314 VanDerWaalsContact O-CG 3.27Å; T305-L314 WeakPolarHBondContact O-CG 3.23Å; T305-L314 PolarHBondContact O-N 3.43Å; C307-L314 HydrophobicContact CB-CD2 3.78Å; L314-Q320 HydrophobicContact CB-CB 3.79Å; L314-H332 HydrophobicContact CD2-CB 4.35Å; L314-H332 VanDerWaalsContact CD2-CD2 3.42Å; L314-H332 WeakPolarHBondContact CD2-CD2 3.45Å
315	R	63	Low	79	Confident	218 Å²	218	80.9 Å²	80.9	82%	0.823	38%	0.376	S	S	*	.			trans	-86.6	139.9	-175.2	-66.7	-176	176	-175.4	-3	111.8	L313	L313-R315 PolarHBondContact O-N 3.1Å
316	G	53	Low	79.1	Confident	53 Å²	53	81.6 Å²	81.6	55%	0.546	38%	0.379	S	S	.	.	S	Bend	trans	132.7	165.4	176.8	0	0	0	0	0	112.5	Q320	G316-Q320 VanDerWaalsContact C-CG 3.48Å; G316-Q320 WeakPolarHBondContact O-CG 3.39Å; G316-Q320 PolarHBondContact O-NE2 3.49Å
317	L	49.8	Very low	78.8	Confident	153 Å²	153	80.2 Å²	80.2	80%	0.801	37%	0.372	S	S	*	.	S	Bend	trans	-85.2	-31.5	175.4	-65.2	174.5	0	0	0	112.6	Q320	L317-Q320 VanDerWaalsContact C-NE2 3.34Å; L317-Q320 PolarHBondContact O-NE2 3.25Å; L317-Q320 VanDerWaalsContact O-NE2 3.08Å
318	F	52	Low	78.7	Confident	154 Å²	154	85.4 Å²	85.4	68%	0.675	39%	0.394	S	S	*	.	S	Bend	trans	-139.1	158.4	178.8	-56.5	-76.4	0	0	0	110.8	Q320	F318-Q320 PolarHBondContact O-N 3Å
319	R	73.3	Confident	78.6	Confident	167 Å²	167	83.8 Å²	83.8	63%	0.63	39%	0.386	S	S	*	.			trans	50.6	34.9	173	-62.9	-177.2	169.4	180	-2.4	113.6	I298 H299 S300 G321 K333	I298-R319 HydrophobicContact CG2-CB 3.54Å; I298-R319 HydrophobicContact CG2-CG 3.66Å; H299-R319 CarbonylContact O-C 3.23Å; H299-R319 WeakPolarHBondContact O-CA 3.33Å; S300-R319 PolarHBondContact OG-N 2.85Å; R319-G321 PolarHBondContact O-N 3.38Å; R319-K333 WeakPolarHBondContact O-CE 3.36Å; R319-K333 PolarHBondContact O-NZ 3.36Å
320	Q	79.4	Confident	78.7	Confident	23 Å²	23	80.3 Å²	80.3	11%	0.107	37%	0.374	C	S	.	.			trans	-67	-20.4	-168.1	-55.5	92.2	-26.9	0	0	113.8	H299 Y301 L314 G316 L317 F318	H299-Q320 PolarHBondContact O-N 3.33Å; Y301-Q320 HydrophobicContact CD2-CB 4.28Å; Y301-Q320 PolarHBondContact O-NE2 3.41Å; L314-Q320 HydrophobicContact CB-CB 3.79Å; G316-Q320 VanDerWaalsContact C-CG 3.48Å; G316-Q320 WeakPolarHBondContact O-CG 3.39Å; G316-Q320 PolarHBondContact O-NE2 3.49Å; L317-Q320 VanDerWaalsContact C-NE2 3.34Å; L317-Q320 PolarHBondContact O-NE2 3.25Å; L317-Q320 VanDerWaalsContact O-NE2 3.08Å; F318-Q320 PolarHBondContact O-N 3Å
321	G	85.9	Confident	79.2	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	-164.4	-178.2	0	0	0	0	0	113.1	H299 R319 C331	H299-G321 PolarHBondContact N-O 3.49Å; H299-G321 VanDerWaalsContact N-O 3.09Å; R319-G321 PolarHBondContact O-N 3.38Å; G321-C331 CarbonylContact C-O 3.59Å; G321-C331 VanDerWaalsContact CA-O 3.25Å; G321-C331 WeakPolarHBondContact CA-O 3.2Å
322	L	90.4	Very high	79.4	Confident	23 Å²	23	71.9 Å²	71.9	12%	0.12	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	134.2	174.8	-65.6	166.1	0	0	0	108.7	F296 A297 I298 Y301 N330 C331 K333 A336	F296-L322 HydrophobicContact CB-CB 4.08Å; F296-L322 HydrophobicContact CB-CD1 4.25Å; F296-L322 HydrophobicContact CB-CD2 4.42Å; F296-L322 HydrophobicContact CB-CG 4.49Å; F296-L322 HydrophobicContact CD1-CB 3.82Å; F296-L322 HydrophobicContact CG-CB 4.16Å; F296-L322 HydrophobicContact CG-CD1 4.48Å; A297-L322 CarbonylContact O-C 3.53Å; A297-L322 VanDerWaalsContact O-CA 3.24Å; A297-L322 WeakPolarHBondContact O-CA 3.44Å; I298-L322 HydrophobicContact CB-CD2 4.39Å; I298-L322 HydrophobicContact CG1-CD2 3.67Å; Y301-L322 PolarHBondContact OH-O 3.24Å; L322-N330 CarbonylContact O-C 3.57Å; L322-N330 WeakPolarHBondContact O-CA 3.43Å; L322-C331 PolarHBondContact N-O 3.42Å; L322-C331 PolarHBondContact O-N 3.02Å; L322-K333 HydrophobicContact CD1-CB 4.48Å; L322-K333 HydrophobicContact CD1-CG 4.4Å; L322-K333 HydrophobicContact CG-CG 4.11Å; L322-A336 HydrophobicContact CD1-CB 3.48Å; L322-A336 VanDerWaalsContact CD1-CB 3.48Å
323	Q	92.4	Very high	79.7	Confident	37 Å²	37	68.8 Å²	68.8	17%	0.173	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.1	168.9	-178.3	167.7	98.4	0	0	109	A297 H299 K325 K328 F329 N330	A297-Q323 PolarHBondContact N-O 2.84Å; A297-Q323 PolarHBondContact O-N 3.24Å; H299-Q323 HydrophobicContact CB-CB 3.69Å; Q323-K325 PolarHBondContact O-N 3.01Å; Q323-K328 HydrophobicContact CG-CB 4.43Å; Q323-F329 CarbonylContact C-O 3.55Å; Q323-F329 WeakPolarHBondContact CA-O 3.42Å; Q323-N330 WeakPolarHBondContact CB-OD1 3.4Å; Q323-N330 WeakPolarHBondContact CG-OD1 3.34Å; Q323-N330 PolarHBondContact NE2-OD1 3.45Å
324	C	88.4	Confident	79.8	Confident	0 Å²	0	73 Å²	73	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	123.7	166.5	-177.5	0	0	0	0	108.7	H294 T295 F296 D326 C327 K328 F329	H294-C324 HydrophobicContact CB-CB 4.02Å; T295-C324 PolarHBondContact N-SG 3.29Å; T295-C324 VanDerWaalsContact N-SG 3.43Å; T295-C324 WeakPolarHBondContact O-CA 3.48Å; F296-C324 HydrophobicContact CD1-CB 4.26Å; F296-C324 HydrophobicContact CE1-CB 4.11Å; C324-D326 PolarHBondContact O-N 2.96Å; C324-D326 PolarHBondContact SG-OD2 2.72Å; C324-D326 VanDerWaalsContact SG-OD2 3.34Å; C324-C327 VanDerWaalsContact SG-SG 3.65Å; C324-K328 WeakPolarHBondContact O-CA 3.49Å; C324-K328 PolarHBondContact O-N 2.95Å; C324-F329 HydrophobicContact CB-CB 4.03Å; C324-F329 PolarHBondContact N-O 2.87Å
325	K	82.7	Confident	80	Confident	127 Å²	127	72.9 Å²	72.9	55%	0.552	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-36	178.1	-72.2	-170.3	175.2	-168.2	0	112.2	T295 A297 Q323 K328	T295-K325 HydrophobicContact CG2-CD 4.18Å; T295-K325 HydrophobicContact CG2-CG 4.44Å; T295-K325 PolarHBondContact O-N 3.38Å; A297-K325 HydrophobicContact CB-CG 4.04Å; Q323-K325 PolarHBondContact O-N 3.01Å; K325-K328 PolarHBondContact O-NZ 3Å
326	D	80.8	Confident	81.2	Confident	48 Å²	48	63.5 Å²	63.5	26%	0.257	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-58.6	-163.8	-34.6	-51.9	0	0	0	110.4	T295 C324	T295-D326 WeakPolarHBondContact CB-OD2 3.2Å; T295-D326 PolarHBondContact N-OD2 3.23Å; T295-D326 PolarHBondContact OG1-OD2 3.39Å; C324-D326 PolarHBondContact O-N 2.96Å; C324-D326 PolarHBondContact SG-OD2 2.72Å; C324-D326 VanDerWaalsContact SG-OD2 3.34Å
327	C	80.5	Confident	82.5	Confident	41 Å²	41	69.4 Å²	69.4	28%	0.277	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	10	-177.5	68.5	0	0	0	0	115.2	H294 C324 F329 C343	H294-C327 PolarHBondContact CE1-SG 3.09Å; H294-C327 PolarHBondContact ND1-SG 3.12Å; C324-C327 VanDerWaalsContact SG-SG 3.65Å; C327-F329 PolarHBondContact O-N 3.37Å; C327-C343 PolarHBondContact SG-SG 2.7Å
328	K	87.3	Confident	84.1	Confident	109 Å²	109	67.1 Å²	67.1	47%	0.474	30%	0.295	S	S	.	.			trans	58.4	15.9	179.1	-44.1	-52.7	178	-166.4	0	116.5	Q323 C324 K325 N330	Q323-K328 HydrophobicContact CG-CB 4.43Å; C324-K328 WeakPolarHBondContact O-CA 3.49Å; C324-K328 PolarHBondContact O-N 2.95Å; K325-K328 PolarHBondContact O-NZ 3Å; K328-N330 PolarHBondContact O-N 2.87Å; K328-N330 PolarHBondContact O-ND2 2.72Å; K328-N330 PolarHBondContact O-OD1 3.39Å
329	F	89.1	Confident	85.7	Confident	49 Å²	49	60.3 Å²	60.3	22%	0.215	27%	0.266	C	S	.	.			trans	-59	128.8	175.3	-168.8	-81.6	0	0	0	111.8	H294 F296 Q308 Q323 C324 C327 C331 V339	H294-F329 AromaticContact CE1-CG 3.93Å; F296-F329 HydrophobicContact CE1-CD1 4.08Å; F296-F329 HydrophobicContact CZ-CD1 4.02Å; Q308-F329 HydrophobicContact CB-CD2 4.37Å; Q308-F329 HydrophobicContact CB-CE1 4.1Å; Q308-F329 HydrophobicContact CB-CE2 3.86Å; Q308-F329 HydrophobicContact CB-CZ 3.71Å; Q323-F329 CarbonylContact C-O 3.55Å; Q323-F329 WeakPolarHBondContact CA-O 3.42Å; C324-F329 HydrophobicContact CB-CB 4.03Å; C324-F329 PolarHBondContact N-O 2.87Å; C327-F329 PolarHBondContact O-N 3.37Å; F329-C331 HydrophobicContact CE1-CB 4.2Å; F329-V339 HydrophobicContact CD1-CG1 4.04Å; F329-V339 HydrophobicContact CD1-CG2 4.45Å; F329-V339 HydrophobicContact CE1-CB 4.36Å; F329-V339 HydrophobicContact CE1-CG1 3.57Å; F329-V339 HydrophobicContact CE1-CG2 3.74Å; F329-V339 HydrophobicContact CE2-CG1 4.49Å; F329-V339 HydrophobicContact CZ-CG1 3.82Å; F329-V339 HydrophobicContact CZ-CG2 4.47Å
330	N	91.5	Very high	86	Confident	24 Å²	24	55.7 Å²	55.7	13%	0.128	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	125.2	-169.8	-60.5	-59.2	0	0	0	111.7	Y301 T305 C307 Q308 L322 Q323 K328	Y301-N330 HydrophobicContact CE1-CB 4.12Å; Y301-N330 WeakPolarHBondContact CE1-OD1 3.2Å; Y301-N330 WeakPolarHBondContact OH-CB 3.41Å; Y301-N330 PolarHBondContact OH-OD1 2.72Å; T305-N330 HydrophobicContact CG2-CB 4.31Å; C307-N330 CarbonylContact C-O 3.44Å; Q308-N330 PolarHBondContact N-O 2.89Å; L322-N330 CarbonylContact O-C 3.57Å; L322-N330 WeakPolarHBondContact O-CA 3.43Å; Q323-N330 WeakPolarHBondContact CB-OD1 3.4Å; Q323-N330 WeakPolarHBondContact CG-OD1 3.34Å; Q323-N330 PolarHBondContact NE2-OD1 3.45Å; K328-N330 PolarHBondContact O-N 2.87Å; K328-N330 PolarHBondContact O-ND2 2.72Å; K328-N330 PolarHBondContact O-OD1 3.39Å
331	C	92.7	Very high	86	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	164.3	179.6	72.4	0	0	0	0	114	C307 G321 L322 F329 C335 V339	C307-C331 VanDerWaalsContact SG-CA 3.57Å; G321-C331 CarbonylContact C-O 3.59Å; G321-C331 VanDerWaalsContact CA-O 3.25Å; G321-C331 WeakPolarHBondContact CA-O 3.2Å; L322-C331 PolarHBondContact N-O 3.42Å; L322-C331 PolarHBondContact O-N 3.02Å; F329-C331 HydrophobicContact CE1-CB 4.2Å; C331-C335 HydrophobicContact CB-CB 4.24Å; C331-V339 HydrophobicContact CB-CG2 4.2Å
332	H	90.3	Very high	85.8	Confident	20 Å²	20	63.4 Å²	63.4	9%	0.093	30%	0.299	C	S	.	.			trans	-67.6	152.7	168	-61.1	107	0	0	0	110.4	C307 C310 R312 L313 L314 R334 C335 A336	C307-H332 VanDerWaalsContact CB-CE1 3.47Å; C307-H332 WeakPolarHBondContact CB-CE1 3.22Å; C307-H332 WeakPolarHBondContact CB-ND1 3.35Å; C307-H332 PolarHBondContact SG-N 2.78Å; C310-H332 VanDerWaalsContact SG-CE1 3.54Å; C310-H332 PolarHBondContact SG-ND1 3.06Å; R312-H332 PolarHBondContact O-CE1 3.37Å; R312-H332 VanDerWaalsContact O-CE1 3.28Å; L313-H332 PolarHBondContact O-NE2 2.78Å; L314-H332 HydrophobicContact CD2-CB 4.35Å; L314-H332 VanDerWaalsContact CD2-CD2 3.42Å; L314-H332 WeakPolarHBondContact CD2-CD2 3.45Å; H332-R334 HydrophobicContact CB-CG 3.9Å; H332-R334 PolarHBondContact O-N 2.88Å; H332-C335 HydrophobicContact CB-CB 4.15Å; H332-C335 WeakPolarHBondContact O-CA 3.41Å; H332-C335 WeakPolarHBondContact O-CB 3.49Å; H332-C335 PolarHBondContact O-N 3.24Å; H332-A336 PolarHBondContact O-N 2.89Å
333	K	87.2	Confident	85.3	Confident	111 Å²	111	62.7 Å²	62.7	48%	0.483	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-49.8	-42.6	170.2	-63	172.8	-172.4	165.8	0	112.4	R319 L322 C335	R319-K333 WeakPolarHBondContact O-CE 3.36Å; R319-K333 PolarHBondContact O-NZ 3.36Å; L322-K333 HydrophobicContact CD1-CB 4.48Å; L322-K333 HydrophobicContact CD1-CG 4.4Å; L322-K333 HydrophobicContact CG-CG 4.11Å; K333-C335 VanDerWaalsContact C-N 3.26Å; K333-C335 PolarHBondContact O-N 3.35Å
334	R	85.8	Confident	84.3	Confident	165 Å²	165	67.3 Å²	67.3	62%	0.623	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-75.2	0.3	175.4	69.6	170.5	-179.4	-170	-3.7	116	H332 Y337	H332-R334 HydrophobicContact CB-CG 3.9Å; H332-R334 PolarHBondContact O-N 2.88Å; R334-Y337 WeakPolarHBondContact O-CE1 3.28Å
335	C	85.4	Confident	83	Confident	8 Å²	8	69.3 Å²	69.3	5%	0.054	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-112.8	-18.3	179.6	-68.8	0	0	0	0	112.8	Y309 C331 H332 K333 Y337 K338 V339	Y309-C335 HydrophobicContact CD1-CB 3.88Å; Y309-C335 HydrophobicContact CG-CB 4.47Å; C331-C335 HydrophobicContact CB-CB 4.24Å; H332-C335 HydrophobicContact CB-CB 4.15Å; H332-C335 WeakPolarHBondContact O-CA 3.41Å; H332-C335 WeakPolarHBondContact O-CB 3.49Å; H332-C335 PolarHBondContact O-N 3.24Å; K333-C335 VanDerWaalsContact C-N 3.26Å; K333-C335 PolarHBondContact O-N 3.35Å; C335-Y337 VanDerWaalsContact C-N 3.32Å; C335-Y337 PolarHBondContact O-N 3.15Å; C335-K338 WeakPolarHBondContact O-CA 3.47Å; C335-K338 WeakPolarHBondContact O-CB 3.2Å; C335-K338 PolarHBondContact O-N 3.4Å; C335-V339 PolarHBondContact O-N 2.92Å
336	A	86.5	Confident	81.8	Confident	22 Å²	22	69.9 Å²	69.9	18%	0.182	35%	0.347	C	S	.	.	G	3₁₀ helix	trans	-53.2	-45.2	-178.3	0	0	0	0	0	113.6	F296 L322 H332 K338 V339	F296-A336 HydrophobicContact CD2-CB 3.9Å; F296-A336 HydrophobicContact CE2-CB 4.09Å; F296-A336 HydrophobicContact CG-CB 4.47Å; L322-A336 HydrophobicContact CD1-CB 3.48Å; L322-A336 VanDerWaalsContact CD1-CB 3.48Å; H332-A336 PolarHBondContact O-N 2.89Å; A336-K338 PolarHBondContact O-N 2.69Å; A336-V339 PolarHBondContact O-N 3.2Å; A336-V339 VanDerWaalsContact O-N 3.11Å
337	Y	80.8	Confident	80.1	Confident	177 Å²	177	73.1 Å²	73.1	69%	0.694	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-68	-3.7	177.9	72.3	-95.5	0	0	0	114.5	R334 C335	R334-Y337 WeakPolarHBondContact O-CE1 3.28Å; C335-Y337 VanDerWaalsContact C-N 3.32Å; C335-Y337 PolarHBondContact O-N 3.15Å
338	K	84.8	Confident	78	Confident	104 Å²	104	77.9 Å²	77.9	45%	0.452	39%	0.39	S	S	.	.	G	3₁₀ helix	trans	-111.6	-4.9	175.1	-52.5	-165	177.9	-164.5	0	113.4	Y309 C335 A336	Y309-K338 HydrophobicContact CD1-CB 4.37Å; Y309-K338 HydrophobicContact CE1-CB 3.7Å; Y309-K338 HydrophobicContact CE1-CD 3.96Å; Y309-K338 HydrophobicContact CE1-CG 4.42Å; Y309-K338 HydrophobicContact CE2-CB 3.89Å; Y309-K338 WeakPolarHBondContact CE2-O 3.37Å; Y309-K338 VanDerWaalsContact CZ-CB 3.42Å; Y309-K338 WeakPolarHBondContact OH-CB 3.29Å; C335-K338 WeakPolarHBondContact O-CA 3.47Å; C335-K338 WeakPolarHBondContact O-CB 3.2Å; C335-K338 PolarHBondContact O-N 3.4Å; A336-K338 PolarHBondContact O-N 2.69Å
339	V	84.7	Confident	75.3	Confident	11 Å²	11	76 Å²	76	7%	0.067	40%	0.401	C	S	.	.	S	Bend	trans	-73.3	135.3	173.2	-171.9	0	0	0	0	107.9	F296 F329 C331 C335 A336	F296-V339 HydrophobicContact CE2-CB 4.19Å; F296-V339 HydrophobicContact CE2-CG2 4.19Å; F296-V339 HydrophobicContact CZ-CB 4.11Å; F296-V339 HydrophobicContact CZ-CG1 4.15Å; F296-V339 HydrophobicContact CZ-CG2 3.88Å; F329-V339 HydrophobicContact CD1-CG1 4.04Å; F329-V339 HydrophobicContact CD1-CG2 4.45Å; F329-V339 HydrophobicContact CE1-CB 4.36Å; F329-V339 HydrophobicContact CE1-CG1 3.57Å; F329-V339 HydrophobicContact CE1-CG2 3.74Å; F329-V339 HydrophobicContact CE2-CG1 4.49Å; F329-V339 HydrophobicContact CZ-CG1 3.82Å; F329-V339 HydrophobicContact CZ-CG2 4.47Å; C331-V339 HydrophobicContact CB-CG2 4.2Å; C335-V339 PolarHBondContact O-N 2.92Å; A336-V339 PolarHBondContact O-N 3.2Å; A336-V339 VanDerWaalsContact O-N 3.11Å
340	P	80.4	Confident	72.5	Confident	71 Å²	71	81.3 Å²	81.3	46%	0.461	43%	0.432	S	S	.	.			trans	-59.2	159.1	172.7	-22.8	34.4	0	0	0	112.5	H294 D342	H294-P340 PolarHBondContact CD2-O 2.87Å; H294-P340 VanDerWaalsContact CD2-O 3.24Å; P340-D342 PolarHBondContact O-N 3.41Å
341	N	77.4	Confident	69.4	Low	91 Å²	91	88.3 Å²	88.3	49%	0.487	47%	0.47	S	S	.	.	S	Bend	trans	-95.2	62.7	176.5	-69.1	-35	0	0	0	110.3	K291 V292 P293	K291-N341 CarbonylContact C-O 3.59Å; K291-N341 WeakPolarHBondContact CA-O 3.49Å; K291-N341 WeakPolarHBondContact CB-O 3.01Å; V292-N341 PolarHBondContact N-O 3.11Å; V292-N341 CarbonylContact O-C 3.55Å; P293-N341 WeakPolarHBondContact CA-OD1 3.49Å; P293-N341 HydrophobicContact CB-CB 4.29Å; P293-N341 WeakPolarHBondContact CB-OD1 3.42Å
342	D	82.1	Confident	66.6	Low	93 Å²	93	99.4 Å²	99.4	50%	0.497	51%	0.511	S	S	.	.			trans	-124.6	36.2	-178.7	55.6	1.4	0	0	0	112.4	V292 H294 P340 L344	V292-D342 PolarHBondContact O-N 2.78Å; H294-D342 IonicContact NE2-OD1 2.72Å; P340-D342 PolarHBondContact O-N 3.41Å; D342-L344 PolarHBondContact O-N 3.05Å
343	C	79.8	Confident	63.6	Low	9 Å²	9	103.8 Å²	103.8	6%	0.061	54%	0.544	C	S	.	.			trans	-64.7	107.4	-178.4	-176.6	0	0	0	0	112.1	V292 H294 C327 G345	V292-C343 VanDerWaalsContact O-CB 3.29Å; V292-C343 WeakPolarHBondContact O-CB 3.49Å; V292-C343 PolarHBondContact O-N 3.23Å; H294-C343 HydrophobicContact CB-CB 4.36Å; C327-C343 PolarHBondContact SG-SG 2.7Å; C343-G345 VanDerWaalsContact C-N 3.29Å; C343-G345 PolarHBondContact O-N 3.43Å
344	L	72.3	Confident	60.7	Low	134 Å²	134	106.5 Å²	106.5	70%	0.702	56%	0.564	S	S	*	*			trans	-70.5	-16.5	-174.8	-58.9	179.6	0	0	0	115.2	D342 E346	D342-L344 PolarHBondContact O-N 3.05Å; L344-E346 VanDerWaalsContact C-N 3.31Å; L344-E346 PolarHBondContact O-N 3.23Å
345	G	62	Low	58	Low	42 Å²	42	104 Å²	104	43%	0.433	57%	0.571	S	S	.	*			trans	71.9	6.2	167.5	0	0	0	0	0	118	C343 T347	C343-G345 VanDerWaalsContact C-N 3.29Å; C343-G345 PolarHBondContact O-N 3.43Å; G345-T347 PolarHBondContact O-N 2.84Å
346	E	57.1	Low	55.1	Low	138 Å²	138	110.8 Å²	110.8	65%	0.645	61%	0.606	S	S	*	*			trans	-80.1	114.2	-174.2	-68.7	177.4	-174.2	0	0	113.7	L344	L344-E346 VanDerWaalsContact C-N 3.31Å; L344-E346 PolarHBondContact O-N 3.23Å
347	T	44	Very low	52.3	Low	117 Å²	117	117.3 Å²	117.3	72%	0.718	64%	0.635	S	S	*	*			trans	-99	101.7	163.8	54	0	0	0	0	110.1	G345	G345-T347 PolarHBondContact O-N 2.84Å
348	I	36.8	Very low	49.7	Very low	140 Å²	140	116.1 Å²	116.1	72%	0.718	64%	0.64	S	S	*	*			trans	-107.7	130.1	176.8	-62.7	174.1	0	0	0	109.7
349	G	31.1	Very low	46.9	Very low	69 Å²	69	116.7 Å²	116.7	71%	0.711	66%	0.657	S	S	*	*			trans	-102.4	129.5	164.9	0	0	0	0	0	110.5
350	D	30.5	Very low	44.2	Very low	161 Å²	161	122.5 Å²	122.5	86%	0.861	70%	0.695	S	S	*	*			trans	25.1	97.9	164.4	-62.9	-26.9	0	0	0	119.5
351	N	26.6	Very low	41.6	Very low	172 Å²	172	124 Å²	124	92%	0.92	71%	0.707	S	S	*	*			trans	-145.6	148.4	130.1	-116.7	-39.1	0	0	0	110.3
352	R	32.3	Very low	39.2	Very low	232 Å²	232	124.6 Å²	124.6	88%	0.875	72%	0.724	S	S	*	*			trans	-106.3	155.9	-161.7	-136	-179.9	-174.1	-159.6	1.1	113.3
353	S	27.7	Very low	36.6	Very low	112 Å²	112	126.8 Å²	126.8	78%	0.783	74%	0.736	S	S	*	*			trans	55.4	110.7	171	50.8	0	0	0	0	115.6
354	N	27	Very low	34.1	Very low	169 Å²	169	133.1 Å²	133.1	90%	0.904	78%	0.775	S	S	*	*				-161.6	176.7	73	-143.9	-9.3	0	0	0	113.3
355	C	27.9	Very low	31.9	Very low	112 Å²	112	135.4 Å²	135.4	76%	0.757	78%	0.782	S	S	*	*			trans	75.4	84	168.3	-150.5	0	0	0	0	117.9
356	D	25.9	Very low	30.3	Very low	150 Å²	150	139.7 Å²	139.7	80%	0.802	80%	0.799	S	S	*	*			trans	-66.9	139.7	138.9	-76.8	-65.8	0	0	0	109.5
357	M	27.1	Very low	29.4	Very low	159 Å²	159	138.5 Å²	138.5	78%	0.783	80%	0.804	S	S	*	*			trans	-171.2	154.7	137.8	-111.5	-53.8	112.4	0	0	114.8
358	L	26.8	Very low	28.5	Very low	152 Å²	152	142.2 Å²	142.2	80%	0.796	82%	0.815	S	S	*	*			trans	63.8	76.7	168.2	-57.3	-178.2	0	0	0	118
359	S	24.6	Very low	28	Very low	116 Å²	116	143.1 Å²	143.1	81%	0.811	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-96.1	133.6	134.9	-67.9	0	0	0	0	109
360	P	29.7	Very low	27.7	Very low	133 Å²	133	148.5 Å²	148.5	86%	0.864	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-76.8	123.7	169.1	-9	25.8	0	0	0	110.1
361	S	24.8	Very low	27.5	Very low	103 Å²	103	144.5 Å²	144.5	72%	0.72	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-93.7	146.6	168.8	51.6	0	0	0	0	111.4
362	A	28.1	Very low	27.6	Very low	103 Å²	103	141.5 Å²	141.5	85%	0.851	80%	0.803	S	S	*	*			trans	-160.4	94.3	162.4	0	0	0	0	0	107.6
363	D	26.8	Very low	27.4	Very low	139 Å²	139	138.1 Å²	138.1	74%	0.743	80%	0.797	S	S	*	*			trans	-81.3	151.9	-177.1	-50.8	-76.6	0	0	0	112.1
364	T	26.5	Very low	27.6	Very low	143 Å²	143	142.2 Å²	142.2	88%	0.877	80%	0.797	S	S	*	*			trans	-145.2	96.6	150.4	-52.4	0	0	0	0	109.1
365	E	27.3	Very low	27.7	Very low	182 Å²	182	139.8 Å²	139.8	85%	0.85	78%	0.784	S	S	*	*			trans	-92.1	129.7	165.4	-66.6	-167.7	149.5	0	0	110.5
366	V	27	Very low	27.9	Very low	131 Å²	131	139.4 Å²	139.4	79%	0.794	78%	0.778	S	S	*	*			trans	-143.5	124.9	146.5	-174.3	0	0	0	0	107.3
367	P	38.9	Very low	28.3	Very low	114 Å²	114	137.4 Å²	137.4	74%	0.74	78%	0.776	S	S	*	*			trans	-88.6	154.9	177.6	35.4	-34.5	0	0	0	112.1
368	M	26	Very low	28.6	Very low	194 Å²	194	135.2 Å²	135.2	96%	0.956	77%	0.767	S	S	*	*			trans	-146.6	151.5	147.7	-80.7	-145.5	-61.7	0	0	110.1
369	D	25.5	Very low	28.9	Very low	160 Å²	160	136.2 Å²	136.2	86%	0.856	77%	0.765	S	S	*	*			trans	-140.2	171.5	176.5	-159	-9.6	0	0	0	108
370	F	25	Very low	29.1	Very low	182 Å²	182	135.6 Å²	135.6	80%	0.798	76%	0.761	S	S	*	*			trans	84.7	94	168.3	-140.8	-104.1	0	0	0	120.1
371	S	26.1	Very low	29.1	Very low	77 Å²	77	133.8 Å²	133.8	54%	0.538	75%	0.751	S	S	.	*				81.1	147.4	126.6	-58.7	0	0	0	0	123.8
372	S	27.9	Very low	29.6	Very low	109 Å²	109	137 Å²	137	76%	0.762	76%	0.757	S	S	*	*			trans	64.6	146.9	152.4	42.5	0	0	0	0	119.3
373	E	28.1	Very low	29.8	Very low	160 Å²	160	138.6 Å²	138.6	75%	0.748	75%	0.751	S	S	*	*			cis	-168.8	158.8	-13.2	-119.8	-179.3	177	0	0	109.3
374	Y	32	Very low	30.1	Very low	198 Å²	198	139 Å²	139	78%	0.776	75%	0.753	S	S	*	*			trans	61.7	155	162.8	-82.4	-112.5	0	0	0	118
375	D	30.3	Very low	30.3	Very low	119 Å²	119	138 Å²	138	64%	0.636	75%	0.752	S	S	*	*			cis	-165.3	172.6	-22.2	-160.9	5.5	0	0	0	111.6
376	T	30.8	Very low	30.6	Very low	104 Å²	104	137.1 Å²	137.1	64%	0.638	75%	0.753	S	S	*	*			trans	45.4	110.1	153.9	45.7	0	0	0	0	119.9
377	S	35.1	Very low	30.7	Very low	107 Å²	107	139.6 Å²	139.6	75%	0.748	76%	0.756	S	S	*	*				118.4	162.3	83	70.3	0	0	0	0	110.5
378	D	34.1	Very low	30.2	Very low	113 Å²	113	137.7 Å²	137.7	60%	0.604	75%	0.75	S	S	*	*			cis	-159.1	160.1	3.5	-152.4	-9.7	0	0	0	111.9
379	K	32.5	Very low	30.2	Very low	174 Å²	174	134.3 Å²	134.3	76%	0.757	74%	0.744	S	S	*	*			trans	59.7	159.6	157.3	-77.8	148.3	-171.1	147.7	0	119.6
380	S	29.5	Very low	30.1	Very low	103 Å²	103	132.6 Å²	132.6	72%	0.72	75%	0.745	S	S	*	*			cis	-178.9	159.7	-13.3	50	0	0	0	0	109.3
381	S	29.3	Very low	30.2	Very low	94 Å²	94	131.7 Å²	131.7	66%	0.657	75%	0.746	S	S	*	*			cis	178.4	150.7	-23.1	53.6	0	0	0	0	109.8
382	M	35.5	Very low	30.3	Very low	170 Å²	170	134.2 Å²	134.2	84%	0.837	76%	0.761	S	S	*	*			trans	68.3	155.7	165.8	-71	160	162.2	0	0	117
383	D	30.9	Very low	30.2	Very low	138 Å²	138	132.2 Å²	132.2	74%	0.738	76%	0.758	S	S	*	*			cis	-149.7	178.2	-0.6	-132.1	-20.3	0	0	0	113.9
384	D	33	Very low	30	Very low	147 Å²	147	129.4 Å²	129.4	79%	0.786	76%	0.756	S	S	*	*			trans	-74.6	165.1	-176.9	-75.4	-42.8	0	0	0	117.4
385	S	31.2	Very low	29.6	Very low	123 Å²	123	129 Å²	129	86%	0.86	76%	0.759	S	S	*	*				172.4	151	127.1	-74.6	0	0	0	0	115.4
386	D	33	Very low	29.3	Very low	162 Å²	162	128.7 Å²	128.7	87%	0.866	77%	0.765	S	S	*	*			trans	-96.9	163.7	179.7	-61.1	-75.9	0	0	0	115.3
387	E	29.5	Very low	30	Very low	184 Å²	184	129.4 Å²	129.4	86%	0.86	77%	0.772	S	S	*	*			trans	179.6	177.6	131.5	-106.6	-62.8	146.1	0	0	113.4
388	A	28	Very low	29.5	Very low	74 Å²	74	131.7 Å²	131.7	61%	0.612	78%	0.776	S	S	*	*			trans	-132	168	-150.7	0	0	0	0	0	119.6
389	C	26.3	Very low	29.1	Very low	122 Å²	122	132.8 Å²	132.8	82%	0.824	78%	0.781	S	S	*	*			trans	44.7	130.5	150.7	-70.8	0	0	0	0	124.2
390	S	23.9	Very low	28.9	Very low	124 Å²	124	130.7 Å²	130.7	87%	0.867	78%	0.778	S	S	*	*				-175.4	164.2	129.5	-86.4	0	0	0	0	114.7
391	I	27.7	Very low	28.9	Very low	163 Å²	163	133.6 Å²	133.6	84%	0.836	78%	0.781	S	S	*	*			trans	-142.4	129.7	-176.5	-72.2	-71.3	0	0	0	110.5
392	P	28.1	Very low	28.8	Very low	131 Å²	131	136.7 Å²	136.7	85%	0.851	79%	0.79	S	S	*	*				-150	177	115.5	37	-19.4	0	0	0	113.6
393	G	25.9	Very low	28.4	Very low	67 Å²	67	131.8 Å²	131.8	69%	0.691	78%	0.783	S	S	*	*			cis	161.7	126	-12.4	0	0	0	0	0	115.2
394	S	23.4	Very low	28.2	Very low	101 Å²	101	132 Å²	132	71%	0.706	79%	0.79	S	S	*	*			trans	76.5	157.1	157.2	-158	0	0	0	0	122.7
395	F	24.2	Very low	27.9	Very low	190 Å²	190	129.2 Å²	129.2	83%	0.833	80%	0.795	S	S	*	*			trans	96.6	156.2	161.7	-57.4	-66.8	0	0	0	121.3
396	S	23.2	Very low	27.6	Very low	111 Å²	111	127.2 Å²	127.2	78%	0.776	79%	0.794	S	S	*	*			trans	-167	-175.1	-162.4	-49.6	0	0	0	0	108.5
397	P	46.4	Very low	27.5	Very low	119 Å²	119	127 Å²	127	77%	0.773	79%	0.793	S	S	*	*			cis	-121.4	175.9	-45.9	38.1	-25.5	0	0	0	111.5
398	D	23.3	Very low	27.4	Very low	156 Å²	156	127.5 Å²	127.5	83%	0.834	80%	0.795	S	S	*	*			trans	-160.5	-176.1	148	-132.1	-37.8	0	0	0	115
399	N	26.8	Very low	27.4	Very low	135 Å²	135	129.1 Å²	129.1	72%	0.722	80%	0.802	S	S	*	*			trans	-103.3	168.8	-151.2	-100.8	-48.8	0	0	0	119.8
400	N	27.6	Very low	27.5	Very low	130 Å²	130	127.2 Å²	127.2	70%	0.695	80%	0.795	S	S	*	*			trans	87.9	119.2	146.8	-75.8	-17.2	0	0	0	124.3
401	Q	29.1	Very low	27.6	Very low	164 Å²	164	128.7 Å²	128.7	77%	0.766	79%	0.793	S	S	*	*			trans	84.5	135	130.3	-72.5	179	-11.2	0	0	124
402	D	28	Very low	27.6	Very low	160 Å²	160	128.5 Å²	128.5	86%	0.856	79%	0.792	S	S	*	*			trans	59.4	150.2	150.6	-66.1	7	0	0	0	123.6
403	G	26.5	Very low	27.5	Very low	67 Å²	67	127.6 Å²	127.6	69%	0.691	79%	0.786	S	S	*	*			trans	125.4	69.4	148.2	0	0	0	0	0	120
404	T	27	Very low	27.7	Very low	143 Å²	143	133 Å²	133	88%	0.877	80%	0.798	S	S	*	*			trans	27.8	108.2	143.8	54.9	0	0	0	0	121.7
405	G	26.3	Very low	28.2	Very low	87 Å²	87	136.4 Å²	136.4	90%	0.897	81%	0.805	S	S	*	*				67.9	128.3	122.1	0	0	0	0	0	122.4
406	G	25.3	Very low	28.4	Very low	81 Å²	81	138.7 Å²	138.7	84%	0.835	81%	0.808	S	S	*	*			trans	153.3	130.5	161.4	0	0	0	0	0	114.2
407	D	30	Very low	28.6	Very low	159 Å²	159	140.4 Å²	140.4	85%	0.85	81%	0.814	S	S	*	*			trans	-75.5	138.6	175.2	-93.2	-51.3	0	0	0	112.9
408	Q	29.3	Very low	27.9	Very low	194 Å²	194	140.9 Å²	140.9	91%	0.907	81%	0.814	S	S	*	*			trans	-166.4	173.7	133.9	-110.2	152.9	110.7	0	0	113.1
409	S	26.3	Very low	28	Very low	107 Å²	107	142.4 Å²	142.4	75%	0.748	82%	0.816	S	S	*	*			trans	-124.4	147.2	-147.2	52.5	0	0	0	0	117
410	A	28.6	Very low	28	Very low	83 Å²	83	140.9 Å²	140.9	69%	0.686	82%	0.816	S	S	*	*			trans	70.9	159.5	150.6	0	0	0	0	0	120.6
411	N	25.6	Very low	28.5	Very low	154 Å²	154	141.9 Å²	141.9	82%	0.824	83%	0.827	S	S	*	*			trans	74.4	134.4	179.7	-43.8	-58	0	0	0	113.5
412	I	28	Very low	28.7	Very low	159 Å²	159	144.3 Å²	144.3	82%	0.815	83%	0.829	S	S	*	*			cis	-148.4	-166.8	-0.4	-4.9	171.2	0	0	0	106.6
413	P	25.7	Very low	29	Very low	112 Å²	112	144.7 Å²	144.7	73%	0.727	83%	0.825	S	S	*	*			cis	-123	175.4	-39.6	30.8	-11.2	0	0	0	113.7	M415	P413-M415 PolarHBondContact O-N 2.93Å
414	L	31.7	Very low	29.1	Very low	181 Å²	181	148 Å²	148	95%	0.948	83%	0.832	S	S	*	*			trans	-80	78.9	174.9	-86	160.7	0	0	0	113.2
415	M	34.2	Very low	29.3	Very low	172 Å²	172	147.9 Å²	147.9	85%	0.847	83%	0.832	S	S	*	*			trans	-159.3	56.1	167.9	-126.7	169.9	79.4	0	0	117.4	P413	P413-M415 PolarHBondContact O-N 2.93Å
416	R	26.9	Very low	29.9	Very low	239 Å²	239	151.1 Å²	151.1	90%	0.902	82%	0.817	S	S	*	*			trans	-165	94.1	159.8	-131.2	175.4	-80	164.9	-8.4	114.7
417	V	28.5	Very low	30.6	Very low	146 Å²	146	158.7 Å²	158.7	89%	0.885	82%	0.82	S	S	*	*			trans	-142.8	70.5	156.1	-168.4	0	0	0	0	110
418	V	31.9	Very low	30.9	Very low	129 Å²	129	156.5 Å²	156.5	78%	0.782	82%	0.818	S	S	*	*			trans	-133.4	133.1	158.6	-175.3	0	0	0	0	105.6
419	Q	25.5	Very low	32.1	Very low	188 Å²	188	149.2 Å²	149.2	88%	0.879	79%	0.788	S	S	*	*			trans	64.6	119	-161.3	-46	-179.5	5.7	0	0	111.4
420	S	25.8	Very low	34.1	Very low	104 Å²	104	150 Å²	150	73%	0.727	79%	0.789	S	S	*	*			cis	-140.9	150.4	41.7	55	0	0	0	0	114	R422	S420-R422 PolarHBondContact O-N 3.26Å; S420-R422 VanDerWaalsContact O-N 3.15Å
421	V	37.6	Very low	36.3	Very low	150 Å²	150	148.3 Å²	148.3	91%	0.909	77%	0.774	S	S	*	*			trans	-80.5	88.8	168.3	180	0	0	0	0	108.6
422	R	34.6	Very low	39	Very low	216 Å²	216	145.1 Å²	145.1	82%	0.815	76%	0.756	S	S	*	*			trans	-156.2	121.6	165.2	-108	158	-163.4	-169	3.5	111.6	S420	S420-R422 PolarHBondContact O-N 3.26Å; S420-R422 VanDerWaalsContact O-N 3.15Å
423	Q	34.8	Very low	41.8	Very low	167 Å²	167	140.5 Å²	140.5	78%	0.78	73%	0.73	S	S	*	*			trans	57.7	57.8	161.1	-62.9	179.1	-28	0	0	117.3	T425	Q423-T425 PolarHBondContact O-N 2.9Å
424	T	27.5	Very low	44.9	Very low	136 Å²	136	139.3 Å²	139.3	83%	0.834	72%	0.715	S	S	*	*			trans	-65.1	124.6	147	50.6	0	0	0	0	109	R426	T424-R426 PolarHBondContact O-N 3.41Å; T424-R426 VanDerWaalsContact O-N 3.15Å
425	T	31.6	Very low	47.7	Very low	141 Å²	141	131 Å²	131	87%	0.865	67%	0.673	S	S	*	*			trans	-65.4	112.8	174.1	35.6	0	0	0	0	110.3	Q423	Q423-T425 PolarHBondContact O-N 2.9Å
426	R	39.1	Very low	50.3	Low	156 Å²	156	125.2 Å²	125.2	59%	0.589	64%	0.642	S	S	*	*			trans	-57.2	145.1	173.4	-119.9	-177.5	-177.3	162.9	3.5	109.4	T424 S428 E473	T424-R426 PolarHBondContact O-N 3.41Å; T424-R426 VanDerWaalsContact O-N 3.15Å; R426-S428 PolarHBondContact O-N 2.93Å; R426-E473 IonicContact CZ-OE1 3.19Å; R426-E473 IonicContact NH1-OE1 2.85Å; R426-E473 PolarHBondContact NH1-OE1 2.81Å
427	R	38.8	Very low	53.3	Low	239 Å²	239	113.9 Å²	113.9	90%	0.902	60%	0.599	S	S	*	*			trans	-56.9	133.2	162.1	-72.2	-178.7	177.7	164	1.2	107.9	S429	R427-S429 PolarHBondContact O-N 2.88Å
428	S	36.8	Very low	56.2	Low	114 Å²	114	107 Å²	107	80%	0.797	56%	0.558	S	S	*	*			trans	-67.5	103.6	-179.7	52.7	0	0	0	0	110.8	R426	R426-S428 PolarHBondContact O-N 2.93Å
429	S	54.6	Low	58.9	Low	40 Å²	40	101.1 Å²	101.1	28%	0.28	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-53.8	137.1	153	11.9	0	0	0	0	108.9	R427 A431 D455	R427-S429 PolarHBondContact O-N 2.88Å; S429-A431 PolarHBondContact O-N 3.37Å; S429-D455 VanDerWaalsContact CB-OD2 3.27Å; S429-D455 WeakPolarHBondContact CB-OD2 3.4Å; S429-D455 PolarHBondContact OG-OD2 3.4Å
430	T	69.1	Low	61.9	Low	125 Å²	125	92.6 Å²	92.6	77%	0.767	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-65.2	127.9	175.3	44.6	0	0	0	0	109.8	I432	T430-I432 PolarHBondContact O-N 2.96Å
431	A	73.3	Confident	64.9	Low	46 Å²	46	88.1 Å²	88.1	38%	0.38	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-63.7	128.7	176.4	0	0	0	0	0	110.6	S429 R453 L454	S429-A431 PolarHBondContact O-N 3.37Å; A431-R453 HydrophobicContact CB-CG 3.7Å; A431-L454 CarbonylContact C-O 3.56Å; A431-L454 WeakPolarHBondContact CA-O 3.44Å
432	I	82.7	Confident	67.1	Low	87 Å²	87	85.3 Å²	85.3	45%	0.446	43%	0.43	S	S	.	.	S	Bend	trans	-78	-40.1	172.8	-61.1	172.6	0	0	0	109.4	T430 L454 C456 A560	T430-I432 PolarHBondContact O-N 2.96Å; I432-L454 HydrophobicContact CB-CD2 4.37Å; I432-L454 HydrophobicContact CB-CG 4.22Å; I432-L454 HydrophobicContact CG2-CD2 4.28Å; I432-L454 PolarHBondContact N-O 3.22Å; I432-C456 HydrophobicContact CD1-CB 4.46Å; I432-A560 HydrophobicContact CD1-CB 3.93Å
433	K	87.3	Confident	69.5	Low	62 Å²	62	82 Å²	82	27%	0.27	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	140.6	176.9	-167	179.2	-178	85.4	0	110.1	L454 A552 W553 A556	K433-L454 HydrophobicContact CB-CB 4.44Å; K433-L454 HydrophobicContact CB-CD2 4.44Å; K433-L454 PolarHBondContact N-O 3.04Å; K433-L454 PolarHBondContact O-N 3.23Å; K433-A552 WeakPolarHBondContact CE-O 3.31Å; K433-A552 PolarHBondContact NZ-O 3.08Å; K433-A552 VanDerWaalsContact NZ-O 3.13Å; K433-W553 HydrophobicContact CB-CH2 4.22Å; K433-W553 HydrophobicContact CB-CZ3 4.22Å; K433-W553 HydrophobicContact CD-CD2 3.65Å; K433-W553 HydrophobicContact CD-CE3 3.84Å; K433-W553 HydrophobicContact CD-CG 4.09Å; K433-W553 HydrophobicContact CD-CH2 4.38Å; K433-W553 HydrophobicContact CD-CZ2 4.22Å; K433-W553 HydrophobicContact CD-CZ3 4.2Å; K433-W553 HydrophobicContact CG-CD2 4.35Å; K433-W553 HydrophobicContact CG-CE3 4.4Å; K433-W553 HydrophobicContact CG-CH2 4.07Å; K433-W553 HydrophobicContact CG-CZ2 4.01Å; K433-W553 HydrophobicContact CG-CZ3 4.26Å; K433-W553 WeakPolarHBondContact O-CH2 3.41Å; K433-A556 HydrophobicContact CB-CB 4.41Å; K433-A556 HydrophobicContact CD-CB 3.59Å
434	E	91.2	Very high	71.9	Confident	88 Å²	88	76.4 Å²	76.4	41%	0.411	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	157	171.1	60.5	177.1	-157.4	0	0	112.3	Y451 W452 R453	E434-Y451 HydrophobicContact CB-CE1 4.02Å; E434-Y451 VanDerWaalsContact CD-OH 3.23Å; E434-Y451 HydrophobicContact CG-CE1 4.48Å; E434-Y451 VanDerWaalsContact CG-OH 3.29Å; E434-Y451 WeakPolarHBondContact CG-OH 3.49Å; E434-Y451 PolarHBondContact OE1-OH 2.87Å; E434-W452 CarbonylContact C-O 3.57Å; E434-W452 WeakPolarHBondContact CA-O 3.43Å; E434-R453 HydrophobicContact CB-CB 4.31Å; E434-R453 HydrophobicContact CB-CG 4.37Å; E434-R453 IonicContact OE1-NH2 2.7Å; E434-R453 IonicContact OE2-CZ 3.94Å; E434-R453 IonicContact OE2-NE 3.49Å; E434-R453 PolarHBondContact OE2-NE 2.95Å; E434-R453 IonicContact OE2-NH2 2.85Å; E434-R453 PolarHBondContact OE2-NH2 3.48Å
435	G	89.9	Confident	74.4	Confident	7 Å²	7	73.7 Å²	73.7	7%	0.072	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.4	167.6	-172.3	0	0	0	0	0	112.9	Y451 W452	G435-Y451 VanDerWaalsContact CA-CE2 3.49Å; G435-W452 PolarHBondContact N-O 2.96Å; G435-W452 PolarHBondContact O-N 2.79Å
436	W	88.4	Confident	76.9	Confident	49 Å²	49	72.7 Å²	72.7	19%	0.186	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	143	174.5	-68.4	100.9	0	0	0	111.5	R449 H450 Y451 N464 G544	W436-R449 HydrophobicContact CE3-CG 3.97Å; W436-R449 VanDerWaalsContact CE3-NH1 3.26Å; W436-R449 VanDerWaalsContact CG-CZ 3.48Å; W436-H450 WeakPolarHBondContact CA-O 3.47Å; W436-Y451 AromaticContact CD1-CD2 3.95Å; W436-Y451 AromaticContact CD2-CD2 3.96Å; W436-Y451 HydrophobicContact CD2-CD2 3.96Å; W436-Y451 AromaticContact CE2-CD2 3.92Å; W436-Y451 HydrophobicContact CG-CD2 4.01Å; W436-Y451 AromaticContact NE1-CD2 3.86Å; W436-N464 HydrophobicContact CH2-CB 4.29Å; W436-G544 WeakPolarHBondContact O-CA 3.44Å
437	M	89.9	Confident	79.1	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.005	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	144.4	169	-75.1	-59.9	-73.5	0	0	111.4	R449 H450 W452 F500 V511 V549 A550 W553	M437-R449 WeakPolarHBondContact O-CA 3.21Å; M437-H450 PolarHBondContact N-O 2.8Å; M437-H450 PolarHBondContact O-N 2.89Å; M437-W452 HydrophobicContact CB-CD2 3.8Å; M437-W452 HydrophobicContact CB-CE3 4.4Å; M437-W452 HydrophobicContact CB-CG 3.85Å; M437-W452 HydrophobicContact CB-CZ2 4.49Å; M437-W452 HydrophobicContact CG-CB 4.5Å; M437-W452 HydrophobicContact CG-CD2 4.07Å; M437-W452 HydrophobicContact CG-CE3 4.28Å; M437-W452 HydrophobicContact CG-CG 4.16Å; M437-F500 HydrophobicContact CE-CE1 4.15Å; M437-F500 HydrophobicContact CE-CZ 4.47Å; M437-V511 HydrophobicContact CE-CG1 3.63Å; M437-V549 HydrophobicContact SD-CG1 4.09Å; M437-A550 HydrophobicContact CE-CB 4.46Å; M437-W553 HydrophobicContact CE-CB 4.27Å; M437-W553 HydrophobicContact CE-CG 4.28Å; M437-W553 HydrophobicContact CG-CD2 4.09Å; M437-W553 HydrophobicContact CG-CG 4.07Å; M437-W553 HydrophobicContact CG-CZ2 4.41Å; M437-W553 HydrophobicContact SD-CB 4.45Å; M437-W553 HydrophobicContact SD-CD2 4.48Å; M437-W553 HydrophobicContact SD-CG 3.86Å
438	V	88.9	Confident	81.5	Confident	3 Å²	3	61.4 Å²	61.4	2%	0.018	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	137.7	167.3	-179.5	0	0	0	0	109.7	R447 K448 R449 G512 G544 I545	V438-R447 HydrophobicContact CG1-CG 3.65Å; V438-K448 WeakPolarHBondContact CA-O 3.35Å; V438-R449 HydrophobicContact CG2-CB 4.3Å; V438-R449 HydrophobicContact CG2-CG 4.19Å; V438-G512 PolarHBondContact O-N 3.28Å; V438-G544 PolarHBondContact N-O 3.25Å; V438-I545 HydrophobicContact CG2-CD1 4.41Å; V438-I545 HydrophobicContact CG2-CG1 3.83Å
439	H	89.6	Confident	84	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.019	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	161.2	174.8	68.5	107.6	0	0	0	112.4	K448 H450 W452 L461 F510 V511	H439-K448 PolarHBondContact CD2-O 2.79Å; H439-K448 PolarHBondContact N-O 2.9Å; H439-K448 PolarHBondContact O-N 3.27Å; H439-K448 VanDerWaalsContact O-O 3.12Å; H439-H450 AromaticContact NE2-CG 3.76Å; H439-H450 AromaticContact NE2-ND1 3.19Å; H439-H450 PolarHBondContact NE2-ND1 3.36Å; H439-H450 VanDerWaalsContact NE2-ND1 3.19Å; H439-W452 HydrophobicContact CB-CZ2 3.99Å; H439-W452 AromaticContact CD2-NE1 3.65Å; H439-W452 AromaticContact CG-CZ2 3.96Å; H439-L461 VanDerWaalsContact CE1-CD2 3.49Å; H439-L461 WeakPolarHBondContact CE1-CD2 3.49Å; H439-F510 CarbonylContact C-O 3.54Å; H439-F510 WeakPolarHBondContact CA-O 3.12Å; H439-V511 HydrophobicContact CB-CG2 4.38Å
440	Y	88.1	Confident	85.7	Confident	9 Å²	9	59.7 Å²	59.7	4%	0.035	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	-177	163.5	60.9	-83.7	0	0	0	108.8	T495 N496 Y509 F510	Y440-T495 HydrophobicContact CE2-CG2 4.1Å; Y440-N496 PolarHBondContact OH-O 3.15Å; Y440-Y509 CarbonylContact O-C 3.48Å; Y440-Y509 WeakPolarHBondContact O-CA 3.49Å; Y440-F510 HydrophobicContact CD1-CB 4.03Å; Y440-F510 HydrophobicContact CD2-CB 3.94Å; Y440-F510 AromaticContact CD2-CD2 3.57Å; Y440-F510 HydrophobicContact CD2-CD2 3.57Å; Y440-F510 HydrophobicContact CD2-CE2 4.49Å; Y440-F510 HydrophobicContact CD2-CG 4.11Å; Y440-F510 HydrophobicContact CE1-CB 3.7Å; Y440-F510 HydrophobicContact CE2-CB 3.6Å; Y440-F510 AromaticContact CE2-CD2 3.37Å; Y440-F510 HydrophobicContact CE2-CD2 3.37Å; Y440-F510 HydrophobicContact CE2-CE2 4.2Å; Y440-F510 AromaticContact CE2-CG 3.63Å; Y440-F510 HydrophobicContact CE2-CG 3.63Å; Y440-F510 HydrophobicContact CG-CB 4.15Å; Y440-F510 HydrophobicContact CG-CD2 4.47Å; Y440-F510 VanDerWaalsContact CZ-CB 3.47Å; Y440-F510 AromaticContact CZ-CG 3.91Å; Y440-F510 PolarHBondContact N-O 2.97Å; Y440-F510 PolarHBondContact O-N 3Å
441	S	88.6	Confident	86.8	Confident	10 Å²	10	55.2 Å²	55.2	7%	0.07	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	162.4	-176.1	67.9	0	0	0	0	113.7	K443 D444 C508	S441-K443 PolarHBondContact O-N 2.91Å; S441-K443 VanDerWaalsContact O-N 3.08Å; S441-D444 PolarHBondContact N-O 3.29Å; S441-D444 CarbonylContact O-C 3.51Å; S441-D444 PolarHBondContact O-N 3.01Å; S441-D444 VanDerWaalsContact O-N 3.08Å; S441-D444 PolarHBondContact OG-N 2.82Å; S441-D444 PolarHBondContact OG-O 2.94Å; S441-C508 CarbonylContact C-O 3.29Å; S441-C508 WeakPolarHBondContact CA-O 3.28Å; S441-C508 WeakPolarHBondContact CB-O 3.47Å
442	N	84.8	Confident	87.7	Confident	91 Å²	91	53 Å²	53	49%	0.487	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-6.2	179.9	72.4	-32.7	0	0	0	115.1	M507 C508 F510	N442-M507 PolarHBondContact OD1-SD 3.21Å; N442-M507 VanDerWaalsContact OD1-SD 3.36Å; N442-C508 HydrophobicContact CB-CB 4.3Å; N442-C508 PolarHBondContact N-O 2.87Å; N442-C508 PolarHBondContact OD1-N 2.93Å; N442-C508 PolarHBondContact OD1-O 3.04Å; N442-F510 HydrophobicContact CB-CE2 3.95Å; N442-F510 HydrophobicContact CB-CZ 4.37Å
443	K	85	Confident	88.1	Confident	147 Å²	147	52.6 Å²	52.6	64%	0.639	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-7.6	171.8	-65.8	177	175.4	165.7	0	113.8	S441 T506 M507	S441-K443 PolarHBondContact O-N 2.91Å; S441-K443 VanDerWaalsContact O-N 3.08Å; K443-T506 WeakPolarHBondContact CE-O 3.28Å; K443-T506 PolarHBondContact NZ-O 2.92Å; K443-M507 HydrophobicContact CB-CE 4.13Å; K443-M507 HydrophobicContact CB-SD 3.77Å; K443-M507 HydrophobicContact CD-CE 3.97Å; K443-M507 HydrophobicContact CD-SD 3.82Å; K443-M507 HydrophobicContact CG-CE 4.44Å; K443-M507 HydrophobicContact CG-SD 3.84Å
444	D	83.8	Confident	88.2	Confident	49 Å²	49	49.6 Å²	49.6	26%	0.262	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	97.7	-178.2	-176.2	-14.3	0	0	0	108	S441 L446 K448	S441-D444 PolarHBondContact N-O 3.29Å; S441-D444 CarbonylContact O-C 3.51Å; S441-D444 PolarHBondContact O-N 3.01Å; S441-D444 VanDerWaalsContact O-N 3.08Å; S441-D444 PolarHBondContact OG-N 2.82Å; S441-D444 PolarHBondContact OG-O 2.94Å; D444-L446 VanDerWaalsContact C-N 3.25Å; D444-L446 PolarHBondContact O-N 3.39Å; D444-L446 VanDerWaalsContact OD1-CB 3.3Å; D444-L446 WeakPolarHBondContact OD1-CB 3.31Å; D444-L446 WeakPolarHBondContact OD1-CG 3.36Å; D444-L446 PolarHBondContact OD1-N 3.22Å; D444-K448 IonicContact OD1-NZ 2.88Å; D444-K448 WeakPolarHBondContact OD2-CE 3.36Å; D444-K448 IonicContact OD2-NZ 2.71Å; D444-K448 PolarHBondContact OD2-NZ 2.73Å
445	T	81.7	Confident	87.9	Confident	80 Å²	80	45.8 Å²	45.8	49%	0.491	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-1.3	-175.7	51	0	0	0	0	113.3	R447	T445-R447 PolarHBondContact O-N 2.9Å
446	L	83.9	Confident	87.2	Confident	120 Å²	120	47.8 Å²	47.8	63%	0.628	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-67	121.9	177.7	-62.7	174.4	0	0	0	109.8	D444 K448	D444-L446 VanDerWaalsContact C-N 3.25Å; D444-L446 PolarHBondContact O-N 3.39Å; D444-L446 VanDerWaalsContact OD1-CB 3.3Å; D444-L446 WeakPolarHBondContact OD1-CB 3.31Å; D444-L446 WeakPolarHBondContact OD1-CG 3.36Å; D444-L446 PolarHBondContact OD1-N 3.22Å; L446-K448 WeakPolarHBondContact O-CG 3.26Å; L446-K448 PolarHBondContact O-N 3.19Å
447	R	85	Confident	86.8	Confident	112 Å²	112	47.6 Å²	47.6	42%	0.423	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	115.6	176.3	-180	179	173.5	-91.3	5.9	110.4	V438 T445 E513	V438-R447 HydrophobicContact CG1-CG 3.65Å; T445-R447 PolarHBondContact O-N 2.9Å; R447-E513 IonicContact CZ-OE1 3.44Å; R447-E513 IonicContact CZ-OE2 3.95Å; R447-E513 IonicContact NE-OE1 2.66Å; R447-E513 PolarHBondContact NE-OE1 3.25Å; R447-E513 IonicContact NE-OE2 3.14Å; R447-E513 PolarHBondContact NE-OE2 2.98Å; R447-E513 IonicContact NH2-OE1 2.73Å; R447-E513 PolarHBondContact NH2-OE1 3.11Å; R447-E513 IonicContact NH2-OE2 2.68Å; R447-E513 PolarHBondContact NH2-OE2 3.12Å
448	K	88.3	Confident	86.7	Confident	46 Å²	46	47.6 Å²	47.6	20%	0.2	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.5	-179.1	-70.3	173.2	-160.5	-163.3	0	110.9	V438 H439 D444 L446 Y471	V438-K448 WeakPolarHBondContact CA-O 3.35Å; H439-K448 PolarHBondContact CD2-O 2.79Å; H439-K448 PolarHBondContact N-O 2.9Å; H439-K448 PolarHBondContact O-N 3.27Å; H439-K448 VanDerWaalsContact O-O 3.12Å; D444-K448 IonicContact OD1-NZ 2.88Å; D444-K448 WeakPolarHBondContact OD2-CE 3.36Å; D444-K448 IonicContact OD2-NZ 2.71Å; D444-K448 PolarHBondContact OD2-NZ 2.73Å; L446-K448 WeakPolarHBondContact O-CG 3.26Å; L446-K448 PolarHBondContact O-N 3.19Å; K448-Y471 PolarHBondContact NZ-OH 2.86Å
449	R	89.4	Confident	86.9	Confident	100 Å²	100	47.4 Å²	47.4	38%	0.377	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	123.4	172.6	-172.5	173.4	178.3	-89.4	4.6	109.1	W436 M437 V438 N542 S543	W436-R449 HydrophobicContact CE3-CG 3.97Å; W436-R449 VanDerWaalsContact CE3-NH1 3.26Å; W436-R449 VanDerWaalsContact CG-CZ 3.48Å; M437-R449 WeakPolarHBondContact O-CA 3.21Å; V438-R449 HydrophobicContact CG2-CB 4.3Å; V438-R449 HydrophobicContact CG2-CG 4.19Å; R449-N542 PolarHBondContact NH2-O 2.84Å; R449-S543 VanDerWaalsContact CZ-O 3.3Å; R449-S543 PolarHBondContact NE-O 2.92Å; R449-S543 PolarHBondContact NH2-O 2.72Å
450	H	91.6	Very high	87	Confident	18 Å²	18	48.4 Å²	48.4	8%	0.083	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.9	-177.9	-76.9	78.5	0	0	0	110.1	W436 M437 H439 W452 L461 F462 Y471	W436-H450 WeakPolarHBondContact CA-O 3.47Å; M437-H450 PolarHBondContact N-O 2.8Å; M437-H450 PolarHBondContact O-N 2.89Å; H439-H450 AromaticContact NE2-CG 3.76Å; H439-H450 AromaticContact NE2-ND1 3.19Å; H439-H450 PolarHBondContact NE2-ND1 3.36Å; H439-H450 VanDerWaalsContact NE2-ND1 3.19Å; H450-W452 PolarHBondContact O-N 3.27Å; H450-L461 HydrophobicContact CB-CB 4.2Å; H450-F462 PolarHBondContact CD2-O 3.05Å; H450-Y471 AromaticContact CD2-CG 3.98Å; H450-Y471 AromaticContact CE1-CD1 3.97Å; H450-Y471 AromaticContact CE1-CG 3.93Å; H450-Y471 WeakPolarHBondContact NE2-CB 3.45Å; H450-Y471 AromaticContact NE2-CD1 3.71Å; H450-Y471 AromaticContact NE2-CD2 3.85Å; H450-Y471 AromaticContact NE2-CG 3.31Å; H450-Y471 VanDerWaalsContact NE2-CG 3.31Å
451	Y	90.8	Very high	87.3	Confident	30 Å²	30	48 Å²	48	12%	0.118	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	106	172.1	-170.9	-98.4	0	0	0	108.6	E434 G435 W436 F462 N465	E434-Y451 HydrophobicContact CB-CE1 4.02Å; E434-Y451 VanDerWaalsContact CD-OH 3.23Å; E434-Y451 HydrophobicContact CG-CE1 4.48Å; E434-Y451 VanDerWaalsContact CG-OH 3.29Å; E434-Y451 WeakPolarHBondContact CG-OH 3.49Å; E434-Y451 PolarHBondContact OE1-OH 2.87Å; G435-Y451 VanDerWaalsContact CA-CE2 3.49Å; W436-Y451 AromaticContact CD1-CD2 3.95Å; W436-Y451 AromaticContact CD2-CD2 3.96Å; W436-Y451 HydrophobicContact CD2-CD2 3.96Å; W436-Y451 AromaticContact CE2-CD2 3.92Å; W436-Y451 HydrophobicContact CG-CD2 4.01Å; W436-Y451 AromaticContact NE1-CD2 3.86Å; Y451-F462 PolarHBondContact N-O 3.04Å; Y451-F462 WeakPolarHBondContact O-CB 3.46Å; Y451-F462 PolarHBondContact O-N 3.38Å; Y451-N465 HydrophobicContact CD1-CB 3.96Å; Y451-N465 HydrophobicContact CD2-CB 3.68Å; Y451-N465 HydrophobicContact CE1-CB 4.07Å; Y451-N465 HydrophobicContact CE2-CB 3.79Å; Y451-N465 HydrophobicContact CG-CB 3.76Å
452	W	92.8	Very high	87.3	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	140.9	-177.8	-74.3	32.1	0	0	0	109.9	E434 G435 M437 H439 H450 I459 I460 L461 L502 V511 W553 I557	E434-W452 CarbonylContact C-O 3.57Å; E434-W452 WeakPolarHBondContact CA-O 3.43Å; G435-W452 PolarHBondContact N-O 2.96Å; G435-W452 PolarHBondContact O-N 2.79Å; M437-W452 HydrophobicContact CB-CD2 3.8Å; M437-W452 HydrophobicContact CB-CE3 4.4Å; M437-W452 HydrophobicContact CB-CG 3.85Å; M437-W452 HydrophobicContact CB-CZ2 4.49Å; M437-W452 HydrophobicContact CG-CB 4.5Å; M437-W452 HydrophobicContact CG-CD2 4.07Å; M437-W452 HydrophobicContact CG-CE3 4.28Å; M437-W452 HydrophobicContact CG-CG 4.16Å; H439-W452 HydrophobicContact CB-CZ2 3.99Å; H439-W452 AromaticContact CD2-NE1 3.65Å; H439-W452 AromaticContact CG-CZ2 3.96Å; H450-W452 PolarHBondContact O-N 3.27Å; W452-I459 HydrophobicContact CB-CG2 4.49Å; W452-I459 HydrophobicContact CD2-CG2 4Å; W452-I459 HydrophobicContact CE3-CG2 3.6Å; W452-I459 HydrophobicContact CG-CG2 4.42Å; W452-I459 HydrophobicContact CZ3-CD1 4.34Å; W452-I459 HydrophobicContact CZ3-CG2 4.1Å; W452-I460 CarbonylContact C-O 3.57Å; W452-I460 WeakPolarHBondContact CA-O 3.22Å; W452-L461 HydrophobicContact CD2-CG 4.45Å; W452-L461 HydrophobicContact CG-CG 4.38Å; W452-L461 HydrophobicContact CZ2-CD2 4.16Å; W452-L502 HydrophobicContact CH2-CD1 3.81Å; W452-L502 HydrophobicContact CZ3-CD1 3.94Å; W452-V511 HydrophobicContact CH2-CB 4.42Å; W452-V511 HydrophobicContact CH2-CG1 3.59Å; W452-V511 HydrophobicContact CH2-CG2 3.85Å; W452-V511 HydrophobicContact CZ2-CG1 4.11Å; W452-V511 HydrophobicContact CZ2-CG2 4.48Å; W452-V511 HydrophobicContact CZ3-CG1 4.1Å; W452-W553 HydrophobicContact CB-CH2 3.54Å; W452-W553 HydrophobicContact CB-CZ2 3.91Å; W452-W553 HydrophobicContact CB-CZ3 4.05Å; W452-W553 HydrophobicContact CE3-CE3 4.22Å; W452-W553 HydrophobicContact CE3-CZ3 4.24Å; W452-I557 HydrophobicContact CZ3-CD1 4.09Å
453	R	91.5	Very high	87.4	Confident	78 Å²	78	48.4 Å²	48.4	29%	0.294	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	114.2	168	-179.7	175.6	-75	153.3	-3.4	108.4	A431 E434 I459 I460 F462	A431-R453 HydrophobicContact CB-CG 3.7Å; E434-R453 HydrophobicContact CB-CB 4.31Å; E434-R453 HydrophobicContact CB-CG 4.37Å; E434-R453 IonicContact OE1-NH2 2.7Å; E434-R453 IonicContact OE2-CZ 3.94Å; E434-R453 IonicContact OE2-NE 3.49Å; E434-R453 PolarHBondContact OE2-NE 2.95Å; E434-R453 IonicContact OE2-NH2 2.85Å; E434-R453 PolarHBondContact OE2-NH2 3.48Å; R453-I459 WeakPolarHBondContact O-CA 3.5Å; R453-I460 PolarHBondContact N-O 2.85Å; R453-I460 PolarHBondContact O-N 2.87Å; R453-F462 HydrophobicContact CB-CD2 4.31Å; R453-F462 HydrophobicContact CB-CE2 3.96Å
454	L	89.3	Confident	87.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	130.9	172.2	169	67.9	0	0	0	108.8	A431 I432 K433 I459 L476 W553 A556 I557 A560	A431-L454 CarbonylContact C-O 3.56Å; A431-L454 WeakPolarHBondContact CA-O 3.44Å; I432-L454 HydrophobicContact CB-CD2 4.37Å; I432-L454 HydrophobicContact CB-CG 4.22Å; I432-L454 HydrophobicContact CG2-CD2 4.28Å; I432-L454 PolarHBondContact N-O 3.22Å; K433-L454 HydrophobicContact CB-CB 4.44Å; K433-L454 HydrophobicContact CB-CD2 4.44Å; K433-L454 PolarHBondContact N-O 3.04Å; K433-L454 PolarHBondContact O-N 3.23Å; L454-I459 HydrophobicContact CD1-CG1 3.87Å; L454-L476 HydrophobicContact CD1-CD1 4.09Å; L454-L476 HydrophobicContact CD1-CD2 3.84Å; L454-L476 HydrophobicContact CD1-CG 4.39Å; L454-W553 HydrophobicContact CB-CZ3 3.86Å; L454-A556 HydrophobicContact CD2-CB 4.1Å; L454-A556 WeakPolarHBondContact CD2-O 3.25Å; L454-I557 HydrophobicContact CD2-CG1 4.17Å; L454-A560 HydrophobicContact CD1-CB 3.88Å; L454-A560 HydrophobicContact CD2-CB 3.97Å; L454-A560 HydrophobicContact CG-CB 4.22Å
455	D	84.4	Confident	87.1	Confident	8 Å²	8	46.4 Å²	46.4	4%	0.043	22%	0.221	C	C	.	.			trans	-127	-172.5	166.4	74.4	16.6	0	0	0	111.1	S429 K457 C458 L476	S429-D455 VanDerWaalsContact CB-OD2 3.27Å; S429-D455 WeakPolarHBondContact CB-OD2 3.4Å; S429-D455 PolarHBondContact OG-OD2 3.4Å; D455-K457 PolarHBondContact O-N 3.18Å; D455-K457 VanDerWaalsContact O-N 3.14Å; D455-K457 WeakPolarHBondContact OD1-CA 3.27Å; D455-K457 PolarHBondContact OD1-N 3.36Å; D455-C458 PolarHBondContact N-O 3.18Å; D455-C458 PolarHBondContact OD1-N 3.08Å; D455-C458 PolarHBondContact OD1-SG 3.4Å; D455-L476 WeakPolarHBondContact O-CD1 3.41Å
456	C	74.6	Confident	86.7	Confident	48 Å²	48	48.1 Å²	48.1	32%	0.324	23%	0.231	S	C	.	.	S	Bend	trans	-69.8	-2.4	-178.4	57.5	0	0	0	0	115.1	I432 Q603	I432-C456 HydrophobicContact CD1-CB 4.46Å; C456-Q603 PolarHBondContact O-NE2 3.16Å
457	K	80.6	Confident	86.2	Confident	46 Å²	46	44.7 Å²	44.7	20%	0.2	22%	0.217	C	C	.	.	S	Bend	trans	-128.2	-28.5	-176.1	-56.2	-161.8	178.5	-159.3	0	113.7	D455 L476 D607	D455-K457 PolarHBondContact O-N 3.18Å; D455-K457 VanDerWaalsContact O-N 3.14Å; D455-K457 WeakPolarHBondContact OD1-CA 3.27Å; D455-K457 PolarHBondContact OD1-N 3.36Å; K457-L476 PolarHBondContact O-N 3.39Å; K457-D607 VanDerWaalsContact CE-CG 3.47Å; K457-D607 WeakPolarHBondContact CE-OD1 3.27Å; K457-D607 WeakPolarHBondContact CE-OD2 3.29Å; K457-D607 IonicContact NZ-OD1 2.67Å; K457-D607 PolarHBondContact NZ-OD1 2.8Å; K457-D607 IonicContact NZ-OD2 3.31Å; K457-D607 PolarHBondContact NZ-OD2 2.56Å
458	C	89	Confident	85.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	164.2	-172.4	61.3	0	0	0	0	114	D455 I460 E473 I474	D455-C458 PolarHBondContact N-O 3.18Å; D455-C458 PolarHBondContact OD1-N 3.08Å; D455-C458 PolarHBondContact OD1-SG 3.4Å; C458-I460 WeakPolarHBondContact SG-CG1 3.4Å; C458-E473 HydrophobicContact CB-CG 3.74Å; C458-I474 CarbonylContact C-O 3.57Å; C458-I474 VanDerWaalsContact CA-O 3.29Å; C458-I474 WeakPolarHBondContact CA-O 3.44Å
459	I	92.6	Very high	85.5	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	116.6	160.9	-50.8	174.7	0	0	0	106.9	W452 R453 L454 L461 I474 L476 I479 L502 I557	W452-I459 HydrophobicContact CB-CG2 4.49Å; W452-I459 HydrophobicContact CD2-CG2 4Å; W452-I459 HydrophobicContact CE3-CG2 3.6Å; W452-I459 HydrophobicContact CG-CG2 4.42Å; W452-I459 HydrophobicContact CZ3-CD1 4.34Å; W452-I459 HydrophobicContact CZ3-CG2 4.1Å; R453-I459 WeakPolarHBondContact O-CA 3.5Å; L454-I459 HydrophobicContact CD1-CG1 3.87Å; I459-L461 HydrophobicContact CB-CD1 4.46Å; I459-L461 HydrophobicContact CG2-CD1 3.97Å; I459-L461 WeakPolarHBondContact O-CD1 3.4Å; I459-I474 HydrophobicContact CB-CB 4.44Å; I459-I474 PolarHBondContact N-O 2.96Å; I459-I474 PolarHBondContact O-N 3.22Å; I459-L476 HydrophobicContact CD1-CD2 4.39Å; I459-L476 HydrophobicContact CG1-CD2 4.02Å; I459-I479 HydrophobicContact CD1-CD1 3.91Å; I459-L502 HydrophobicContact CD1-CD1 4.06Å; I459-I557 HydrophobicContact CD1-CD1 3.77Å; I459-I557 HydrophobicContact CD1-CG1 3.92Å; I459-I557 HydrophobicContact CD1-CG2 4.3Å
460	I	92.4	Very high	85.3	Confident	25 Å²	25	50.1 Å²	50.1	13%	0.128	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	127.6	176.8	-48	178.2	0	0	0	109.1	W452 R453 C458 F462 Y470 E473	W452-I460 CarbonylContact C-O 3.57Å; W452-I460 WeakPolarHBondContact CA-O 3.22Å; R453-I460 PolarHBondContact N-O 2.85Å; R453-I460 PolarHBondContact O-N 2.87Å; C458-I460 WeakPolarHBondContact SG-CG1 3.4Å; I460-F462 HydrophobicContact CB-CD2 4.27Å; I460-F462 HydrophobicContact CB-CE2 3.67Å; I460-F462 HydrophobicContact CB-CZ 4.1Å; I460-F462 HydrophobicContact CD1-CE2 4.47Å; I460-F462 HydrophobicContact CD1-CZ 4.3Å; I460-F462 HydrophobicContact CG2-CD1 4.47Å; I460-F462 HydrophobicContact CG2-CD2 3.93Å; I460-F462 HydrophobicContact CG2-CE1 4.03Å; I460-F462 HydrophobicContact CG2-CE2 3.44Å; I460-F462 VanDerWaalsContact CG2-CE2 3.44Å; I460-F462 HydrophobicContact CG2-CG 4.43Å; I460-F462 HydrophobicContact CG2-CZ 3.49Å; I460-F462 VanDerWaalsContact CG2-CZ 3.49Å; I460-Y470 HydrophobicContact CG2-CD1 4.1Å; I460-Y470 HydrophobicContact CG2-CG 3.91Å; I460-E473 HydrophobicContact CG1-CG 4.35Å
461	L	92.8	Very high	85.1	Confident	1 Å²	1	53.8 Å²	53.8	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	92.1	-176.8	-70.5	73.5	0	0	0	109	H439 H450 W452 I459 Y471 K472 I474	H439-L461 VanDerWaalsContact CE1-CD2 3.49Å; H439-L461 WeakPolarHBondContact CE1-CD2 3.49Å; H450-L461 HydrophobicContact CB-CB 4.2Å; W452-L461 HydrophobicContact CD2-CG 4.45Å; W452-L461 HydrophobicContact CG-CG 4.38Å; W452-L461 HydrophobicContact CZ2-CD2 4.16Å; I459-L461 HydrophobicContact CB-CD1 4.46Å; I459-L461 HydrophobicContact CG2-CD1 3.97Å; I459-L461 WeakPolarHBondContact O-CD1 3.4Å; L461-Y471 HydrophobicContact CD2-CD1 4.44Å; L461-Y471 PolarHBondContact O-N 2.83Å; L461-K472 PolarHBondContact N-O 2.88Å; L461-I474 HydrophobicContact CD1-CD1 3.87Å; L461-I474 HydrophobicContact CD1-CG1 4.07Å
462	F	89.9	Confident	85.1	Confident	17 Å²	17	55.5 Å²	55.5	8%	0.075	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	146.1	179.2	-65.7	-84.6	0	0	0	112.6	H450 Y451 R453 I460 N464 S467	H450-F462 PolarHBondContact CD2-O 3.05Å; Y451-F462 PolarHBondContact N-O 3.04Å; Y451-F462 WeakPolarHBondContact O-CB 3.46Å; Y451-F462 PolarHBondContact O-N 3.38Å; R453-F462 HydrophobicContact CB-CD2 4.31Å; R453-F462 HydrophobicContact CB-CE2 3.96Å; I460-F462 HydrophobicContact CB-CD2 4.27Å; I460-F462 HydrophobicContact CB-CE2 3.67Å; I460-F462 HydrophobicContact CB-CZ 4.1Å; I460-F462 HydrophobicContact CD1-CE2 4.47Å; I460-F462 HydrophobicContact CD1-CZ 4.3Å; I460-F462 HydrophobicContact CG2-CD1 4.47Å; I460-F462 HydrophobicContact CG2-CD2 3.93Å; I460-F462 HydrophobicContact CG2-CE1 4.03Å; I460-F462 HydrophobicContact CG2-CE2 3.44Å; I460-F462 VanDerWaalsContact CG2-CE2 3.44Å; I460-F462 HydrophobicContact CG2-CG 4.43Å; I460-F462 HydrophobicContact CG2-CZ 3.49Å; I460-F462 VanDerWaalsContact CG2-CZ 3.49Å; F462-N464 VanDerWaalsContact C-N 3.26Å; F462-N464 VanDerWaalsContact CB-O 3.23Å; F462-N464 WeakPolarHBondContact CB-O 3.01Å; F462-N464 PolarHBondContact O-N 3.35Å; F462-S467 VanDerWaalsContact CD1-O 3.28Å; F462-S467 WeakPolarHBondContact CD1-O 3.49Å
463	Q	86.3	Confident	85.1	Confident	92 Å²	92	58.4 Å²	58.4	43%	0.43	29%	0.287	S	S	.	.	S	Bend	trans	-67.1	-30.1	178.1	-65.4	-170	-28.8	0	0	111.9	K469	Q463-K469 PolarHBondContact N-O 3.08Å
464	N	82.7	Confident	85	Confident	60 Å²	60	54.7 Å²	54.7	32%	0.321	27%	0.273	S	S	.	.	S	Bend	trans	-152	176.4	169.6	60	21.3	0	0	0	109.5	W436 F462 T466 S467	W436-N464 HydrophobicContact CH2-CB 4.29Å; F462-N464 VanDerWaalsContact C-N 3.26Å; F462-N464 VanDerWaalsContact CB-O 3.23Å; F462-N464 WeakPolarHBondContact CB-O 3.01Å; F462-N464 PolarHBondContact O-N 3.35Å; N464-T466 VanDerWaalsContact C-N 3.29Å; N464-T466 PolarHBondContact O-N 2.93Å; N464-T466 PolarHBondContact OD1-N 3.45Å; N464-S467 WeakPolarHBondContact OD1-CA 3.34Å; N464-S467 WeakPolarHBondContact OD1-CB 3.47Å; N464-S467 PolarHBondContact OD1-N 3.05Å
465	N	79.1	Confident	85	Confident	93 Å²	93	56.2 Å²	56.2	50%	0.497	28%	0.283	S	S	.	.	S	Bend	trans	-80.5	-1	-177.4	63	-40.9	0	0	0	114.8	Y451	Y451-N465 HydrophobicContact CD1-CB 3.96Å; Y451-N465 HydrophobicContact CD2-CB 3.68Å; Y451-N465 HydrophobicContact CE1-CB 4.07Å; Y451-N465 HydrophobicContact CE2-CB 3.79Å; Y451-N465 HydrophobicContact CG-CB 3.76Å
466	T	74.7	Confident	85.1	Confident	116 Å²	116	55.9 Å²	55.9	71%	0.712	28%	0.281	S	S	*	.	S	Bend	trans	-121.1	-14.3	-173.6	53.7	0	0	0	0	114.5	N464	N464-T466 VanDerWaalsContact C-N 3.29Å; N464-T466 PolarHBondContact O-N 2.93Å; N464-T466 PolarHBondContact OD1-N 3.45Å
467	S	72.8	Confident	85.4	Confident	48 Å²	48	54.6 Å²	54.6	34%	0.336	27%	0.273	S	S	.	.			trans	-101	140.2	178	-168.7	0	0	0	0	112	F462 N464 K469	F462-S467 VanDerWaalsContact CD1-O 3.28Å; F462-S467 WeakPolarHBondContact CD1-O 3.49Å; N464-S467 WeakPolarHBondContact OD1-CA 3.34Å; N464-S467 WeakPolarHBondContact OD1-CB 3.47Å; N464-S467 PolarHBondContact OD1-N 3.05Å; S467-K469 PolarHBondContact O-N 3.01Å; S467-K469 WeakPolarHBondContact OG-CB 3.29Å; S467-K469 PolarHBondContact OG-N 3.4Å
468	N	77.9	Confident	85.7	Confident	144 Å²	144	56.8 Å²	56.8	77%	0.77	28%	0.284	S	S	*	.	S	Bend	trans	-72.3	-1.9	168.7	-64.4	-40.7	0	0	0	113.2	Y470	N468-Y470 PolarHBondContact O-N 3.46Å
469	K	80.3	Confident	85.6	Confident	129 Å²	129	56.9 Å²	56.9	56%	0.561	28%	0.284	S	S	*	.			trans	-79.7	103.4	177.7	-172	176.8	176.6	-173.1	0	110.8	Q463 S467	Q463-K469 PolarHBondContact N-O 3.08Å; S467-K469 PolarHBondContact O-N 3.01Å; S467-K469 WeakPolarHBondContact OG-CB 3.29Å; S467-K469 PolarHBondContact OG-N 3.4Å
470	Y	85.2	Confident	85.2	Confident	99 Å²	99	60 Å²	60	39%	0.388	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	151.7	172.1	62	-100.6	0	0	0	113	I460 N468 E473	I460-Y470 HydrophobicContact CG2-CD1 4.1Å; I460-Y470 HydrophobicContact CG2-CG 3.91Å; N468-Y470 PolarHBondContact O-N 3.46Å; Y470-E473 HydrophobicContact CE2-CB 4.48Å
471	Y	88.4	Confident	84.8	Confident	95 Å²	95	62.8 Å²	62.8	37%	0.373	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-42.2	169.2	165.1	-101.2	0	0	0	111.1	K448 H450 L461	K448-Y471 PolarHBondContact NZ-OH 2.86Å; H450-Y471 AromaticContact CD2-CG 3.98Å; H450-Y471 AromaticContact CE1-CD1 3.97Å; H450-Y471 AromaticContact CE1-CG 3.93Å; H450-Y471 WeakPolarHBondContact NE2-CB 3.45Å; H450-Y471 AromaticContact NE2-CD1 3.71Å; H450-Y471 AromaticContact NE2-CD2 3.85Å; H450-Y471 AromaticContact NE2-CG 3.31Å; H450-Y471 VanDerWaalsContact NE2-CG 3.31Å; L461-Y471 HydrophobicContact CD2-CD1 4.44Å; L461-Y471 PolarHBondContact O-N 2.83Å
472	K	89.6	Confident	84.5	Confident	67 Å²	67	63.2 Å²	63.2	29%	0.291	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	149.1	178.5	-163.7	162.4	-170.5	178.2	0	111.9	L461 I474 Y509	L461-K472 PolarHBondContact N-O 2.88Å; K472-I474 HydrophobicContact CG-CG1 4.39Å; K472-Y509 VanDerWaalsContact CE-OH 3.27Å; K472-Y509 WeakPolarHBondContact CE-OH 3.15Å; K472-Y509 PolarHBondContact NZ-OH 2.79Å
473	E	92.3	Very high	84.2	Confident	61 Å²	61	67.2 Å²	67.2	29%	0.285	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.9	161.7	-177.8	174.7	163.2	0	0	106.9	R426 C458 I460 Y470	R426-E473 IonicContact CZ-OE1 3.19Å; R426-E473 IonicContact NH1-OE1 2.85Å; R426-E473 PolarHBondContact NH1-OE1 2.81Å; C458-E473 HydrophobicContact CB-CG 3.74Å; I460-E473 HydrophobicContact CG1-CG 4.35Å; Y470-E473 HydrophobicContact CE2-CB 4.48Å
474	I	91.2	Very high	84	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	102.8	173.5	-57.4	173.7	0	0	0	106.4	C458 I459 L461 K472 L476 I479 T504 Y509	C458-I474 CarbonylContact C-O 3.57Å; C458-I474 VanDerWaalsContact CA-O 3.29Å; C458-I474 WeakPolarHBondContact CA-O 3.44Å; I459-I474 HydrophobicContact CB-CB 4.44Å; I459-I474 PolarHBondContact N-O 2.96Å; I459-I474 PolarHBondContact O-N 3.22Å; L461-I474 HydrophobicContact CD1-CD1 3.87Å; L461-I474 HydrophobicContact CD1-CG1 4.07Å; K472-I474 HydrophobicContact CG-CG1 4.39Å; I474-L476 PolarHBondContact O-N 2.85Å; I474-I479 HydrophobicContact CG2-CD1 4.33Å; I474-I479 HydrophobicContact CG2-CG1 4.09Å; I474-T504 HydrophobicContact CG2-CG2 4.33Å; I474-Y509 HydrophobicContact CD1-CD1 4.41Å; I474-Y509 HydrophobicContact CD1-CD2 4.19Å; I474-Y509 HydrophobicContact CD1-CE1 3.96Å; I474-Y509 HydrophobicContact CD1-CE2 3.71Å; I474-Y509 HydrophobicContact CG1-CE2 4.42Å
475	P	89.3	Confident	83.5	Confident	32 Å²	32	64.1 Å²	64.1	21%	0.208	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	135.2	174.8	-24.3	35.3	0	0	0	110.7	S477 E478	P475-S477 PolarHBondContact O-N 3.01Å; P475-S477 VanDerWaalsContact O-N 3.14Å; P475-E478 HydrophobicContact CB-CG 4.18Å; P475-E478 HydrophobicContact CG-CG 4.28Å; P475-E478 PolarHBondContact O-N 3.23Å
476	L	85.7	Confident	82.5	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.8	178.1	-73.9	-178.7	0	0	0	112.1	L454 D455 K457 I459 I474 E478 I479 A560 L561 R624	L454-L476 HydrophobicContact CD1-CD1 4.09Å; L454-L476 HydrophobicContact CD1-CD2 3.84Å; L454-L476 HydrophobicContact CD1-CG 4.39Å; D455-L476 WeakPolarHBondContact O-CD1 3.41Å; K457-L476 PolarHBondContact O-N 3.39Å; I459-L476 HydrophobicContact CD1-CD2 4.39Å; I459-L476 HydrophobicContact CG1-CD2 4.02Å; I474-L476 PolarHBondContact O-N 2.85Å; L476-E478 VanDerWaalsContact C-N 3.34Å; L476-I479 HydrophobicContact CD2-CD1 3.86Å; L476-I479 PolarHBondContact O-N 3.39Å; L476-A560 HydrophobicContact CD1-CB 3.97Å; L476-L561 HydrophobicContact CB-CD2 4.11Å; L476-L561 HydrophobicContact CD2-CD2 4.03Å; L476-L561 HydrophobicContact CD2-CG 4.49Å; L476-L561 VanDerWaalsContact O-CD2 3.3Å; L476-L561 WeakPolarHBondContact O-CD2 3.48Å; L476-R624 PolarHBondContact O-NH1 2.94Å
477	S	80.9	Confident	81.5	Confident	21 Å²	21	63.6 Å²	63.6	15%	0.147	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-22.4	176.1	50.7	0	0	0	0	113.7	P475 R624	P475-S477 PolarHBondContact O-N 3.01Å; P475-S477 VanDerWaalsContact O-N 3.14Å; S477-R624 WeakPolarHBondContact O-CA 3.27Å
478	E	86.9	Confident	81	Confident	93 Å²	93	66.5 Å²	66.5	44%	0.435	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-17.7	174	-70.3	-178.9	-159.6	0	0	112.7	P475 L476 L480 T504	P475-E478 HydrophobicContact CB-CG 4.18Å; P475-E478 HydrophobicContact CG-CG 4.28Å; P475-E478 PolarHBondContact O-N 3.23Å; L476-E478 VanDerWaalsContact C-N 3.34Å; E478-L480 PolarHBondContact O-N 3.16Å; E478-T504 HydrophobicContact CB-CG2 4.47Å; E478-T504 VanDerWaalsContact O-CA 3.26Å; E478-T504 WeakPolarHBondContact O-CA 3.43Å; E478-T504 WeakPolarHBondContact O-CB 3.45Å
479	I	87.4	Confident	79.6	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	113.3	174.4	-53.1	-178.4	0	0	0	107.7	I459 I474 L476 V482 T504 I557 L561 R624	I459-I479 HydrophobicContact CD1-CD1 3.91Å; I474-I479 HydrophobicContact CG2-CD1 4.33Å; I474-I479 HydrophobicContact CG2-CG1 4.09Å; L476-I479 HydrophobicContact CD2-CD1 3.86Å; L476-I479 PolarHBondContact O-N 3.39Å; I479-V482 HydrophobicContact CG2-CG2 4.01Å; I479-T504 HydrophobicContact CG1-CG2 4.48Å; I479-I557 HydrophobicContact CD1-CG2 4.37Å; I479-L561 HydrophobicContact CB-CD2 3.97Å; I479-L561 HydrophobicContact CD1-CD2 4.4Å; I479-L561 HydrophobicContact CG2-CD1 4.01Å; I479-L561 HydrophobicContact CG2-CD2 4.3Å; I479-R624 PolarHBondContact O-NH1 2.84Å
480	L	84.1	Confident	78.1	Confident	65 Å²	65	66.7 Å²	66.7	34%	0.34	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-37.5	177.7	-56.7	-176.5	0	0	0	110.6	E478 V503 R624	E478-L480 PolarHBondContact O-N 3.16Å; L480-V503 PolarHBondContact N-O 2.88Å; L480-R624 HydrophobicContact CD2-CB 4.03Å; L480-R624 WeakPolarHBondContact CD2-O 3.36Å
481	E	83.9	Confident	76.6	Confident	85 Å²	85	63 Å²	63	40%	0.397	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	151.4	-176.3	-145.7	-177	138.7	0	0	111.6	R483 V503	E481-R483 HydrophobicContact CG-CG 4.27Å; E481-R483 VanDerWaalsContact OE1-CG 3.23Å; E481-R483 WeakPolarHBondContact OE1-CG 3.5Å; E481-R483 IonicContact OE1-CZ 3.64Å; E481-R483 IonicContact OE1-NE 2.77Å; E481-R483 PolarHBondContact OE1-NE 3.23Å; E481-R483 IonicContact OE1-NH2 3.63Å; E481-R483 IonicContact OE2-CZ 3.36Å; E481-R483 IonicContact OE2-NE 3.21Å; E481-R483 PolarHBondContact OE2-NE 2.88Å; E481-R483 IonicContact OE2-NH2 2.71Å; E481-R483 PolarHBondContact OE2-NH2 2.84Å; E481-V503 HydrophobicContact CB-CB 4.06Å; E481-V503 HydrophobicContact CB-CG2 4.31Å; E481-V503 PolarHBondContact N-O 3.02Å; E481-V503 PolarHBondContact O-N 2.96Å
482	V	86.5	Confident	74.8	Confident	9 Å²	9	62.5 Å²	62.5	6%	0.055	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125	166.4	-176.1	0	0	0	0	106.7	I479 F500 E501 L502 E554 I557 R558 L561	I479-V482 HydrophobicContact CG2-CG2 4.01Å; V482-F500 HydrophobicContact CG1-CD2 4.16Å; V482-E501 WeakPolarHBondContact CA-O 3.3Å; V482-L502 HydrophobicContact CB-CD2 4.34Å; V482-L502 HydrophobicContact CG1-CD2 3.99Å; V482-L502 HydrophobicContact CG2-CD2 3.67Å; V482-E554 HydrophobicContact CG1-CG 3.64Å; V482-I557 HydrophobicContact CG2-CG2 4.13Å; V482-R558 HydrophobicContact CB-CG 4.42Å; V482-R558 HydrophobicContact CG1-CG 4.47Å; V482-R558 VanDerWaalsContact O-CZ 3.26Å; V482-R558 PolarHBondContact O-NH1 3.15Å; V482-R558 PolarHBondContact O-NH2 3.41Å; V482-L561 HydrophobicContact CG2-CD1 3.52Å
483	R	84.1	Confident	72.6	Confident	102 Å²	102	69.3 Å²	69.3	39%	0.385	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.4	-178.4	-62.6	177.6	179.1	161.2	4.4	110.8	E481 F500 E501	E481-R483 HydrophobicContact CG-CG 4.27Å; E481-R483 VanDerWaalsContact OE1-CG 3.23Å; E481-R483 WeakPolarHBondContact OE1-CG 3.5Å; E481-R483 IonicContact OE1-CZ 3.64Å; E481-R483 IonicContact OE1-NE 2.77Å; E481-R483 PolarHBondContact OE1-NE 3.23Å; E481-R483 IonicContact OE1-NH2 3.63Å; E481-R483 IonicContact OE2-CZ 3.36Å; E481-R483 IonicContact OE2-NE 3.21Å; E481-R483 PolarHBondContact OE2-NE 2.88Å; E481-R483 IonicContact OE2-NH2 2.71Å; E481-R483 PolarHBondContact OE2-NH2 2.84Å; R483-F500 CarbonylContact O-C 3.6Å; R483-F500 VanDerWaalsContact O-CA 3.27Å; R483-F500 WeakPolarHBondContact O-CA 3.28Å; R483-F500 VanDerWaalsContact O-CB 3.31Å; R483-F500 WeakPolarHBondContact O-CB 3.39Å; R483-E501 HydrophobicContact CB-CB 4.29Å; R483-E501 PolarHBondContact N-O 2.8Å; R483-E501 PolarHBondContact O-N 2.83Å
484	P	81.3	Confident	70.7	Confident	64 Å²	64	70.3 Å²	70.3	42%	0.416	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	148.4	163.1	30.4	-33.5	0	0	0	109.5	T486	P484-T486 HydrophobicContact CB-CG2 4.37Å; P484-T486 HydrophobicContact CG-CG2 3.98Å; P484-T486 PolarHBondContact O-N 2.79Å; P484-T486 VanDerWaalsContact O-N 3.08Å; P484-T486 PolarHBondContact O-OG1 2.93Å
485	A	72.6	Confident	69.2	Low	22 Å²	22	72.2 Å²	72.2	18%	0.182	41%	0.405	C	S	.	.	S	Bend	trans	-66.4	109.3	174.6	0	0	0	0	0	110	F488 H498 C499	A485-F488 HydrophobicContact CB-CZ 4.32Å; A485-H498 VanDerWaalsContact CB-O 3.25Å; A485-H498 WeakPolarHBondContact CB-O 3.49Å; A485-C499 VanDerWaalsContact CB-O 3.3Å; A485-C499 WeakPolarHBondContact CB-O 3.26Å; A485-C499 PolarHBondContact N-O 2.84Å
486	T	57.5	Low	67.9	Low	115 Å²	115	73.9 Å²	73.9	71%	0.706	41%	0.412	S	S	*	.			trans	-128.7	-19	-173.1	46.7	0	0	0	0	114.8	P484	P484-T486 HydrophobicContact CB-CG2 4.37Å; P484-T486 HydrophobicContact CG-CG2 3.98Å; P484-T486 PolarHBondContact O-N 2.79Å; P484-T486 VanDerWaalsContact O-N 3.08Å; P484-T486 PolarHBondContact O-OG1 2.93Å
487	D	54.1	Low	67.2	Low	84 Å²	84	75.3 Å²	75.3	45%	0.449	42%	0.421	S	S	.	.			trans	-141.1	116.7	179.4	-170.4	-11.8	0	0	0	110.4	T489	D487-T489 VanDerWaalsContact CG-OG1 3.26Å; D487-T489 VanDerWaalsContact OD1-CB 3.26Å; D487-T489 WeakPolarHBondContact OD1-CB 3.07Å; D487-T489 VanDerWaalsContact OD1-CG2 3.23Å; D487-T489 WeakPolarHBondContact OD1-CG2 3.21Å; D487-T489 PolarHBondContact OD1-N 3.45Å; D487-T489 PolarHBondContact OD1-OG1 3.2Å; D487-T489 PolarHBondContact OD2-OG1 3.12Å
488	F	61.8	Low	67.2	Low	109 Å²	109	74.6 Å²	74.6	48%	0.478	42%	0.416	S	S	.	.			trans	-93.7	-1.3	179.8	-63.3	-76.2	0	0	0	113.2	A485 L490 V491 P497 H498	A485-F488 HydrophobicContact CB-CZ 4.32Å; F488-L490 VanDerWaalsContact C-N 3.25Å; F488-L490 PolarHBondContact O-N 3Å; F488-V491 PolarHBondContact O-N 3.44Å; F488-P497 HydrophobicContact CE1-CB 4.39Å; F488-H498 AromaticContact CD1-CE1 3.98Å; F488-H498 AromaticContact CE1-CE1 3.76Å; F488-H498 AromaticContact CE1-ND1 3.82Å
489	T	48.1	Very low	67	Low	117 Å²	117	70.8 Å²	70.8	72%	0.718	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.4	-174.3	60.2	0	0	0	0	114.3	D487	D487-T489 VanDerWaalsContact CG-OG1 3.26Å; D487-T489 VanDerWaalsContact OD1-CB 3.26Å; D487-T489 WeakPolarHBondContact OD1-CB 3.07Å; D487-T489 VanDerWaalsContact OD1-CG2 3.23Å; D487-T489 WeakPolarHBondContact OD1-CG2 3.21Å; D487-T489 PolarHBondContact OD1-N 3.45Å; D487-T489 PolarHBondContact OD1-OG1 3.2Å; D487-T489 PolarHBondContact OD2-OG1 3.12Å
490	L	49.3	Very low	67	Low	160 Å²	160	70.7 Å²	70.7	84%	0.838	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	0.1	178.6	-64.7	176.5	0	0	0	113.9	F488	F488-L490 VanDerWaalsContact C-N 3.25Å; F488-L490 PolarHBondContact O-N 3Å
491	V	54.1	Low	67.3	Low	22 Å²	22	68.7 Å²	68.7	13%	0.133	39%	0.387	C	S	.	.	S	Bend	trans	-104.3	131.7	-172.6	-152.3	0	0	0	0	110.5	F488 T495	F488-V491 PolarHBondContact O-N 3.44Å; V491-T495 HydrophobicContact CG1-CG2 3.79Å; V491-T495 WeakPolarHBondContact CG1-OG1 3.43Å
492	P	51.1	Low	67.6	Low	83 Å²	83	64.7 Å²	64.7	54%	0.539	37%	0.369	S	S	.	.			trans	-58.7	143.5	-176.4	-27.8	35.8	0	0	0	114.4	G494 T495	P492-G494 PolarHBondContact O-N 2.88Å; P492-G494 VanDerWaalsContact O-N 3.13Å; P492-T495 PolarHBondContact O-N 2.88Å; P492-T495 PolarHBondContact O-OG1 3.14Å; P492-T495 VanDerWaalsContact O-OG1 3.09Å
493	Q	42.2	Very low	67.6	Low	211 Å²	211	65.6 Å²	65.6	99%	0.986	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	119.6	177.7	-70.6	-178.6	-20.2	0	0	111.3
494	G	53.2	Low	67.9	Low	81 Å²	81	61.1 Å²	61.1	84%	0.835	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.9	-0	-179	0	0	0	0	0	115.9	P492	P492-G494 PolarHBondContact O-N 2.88Å; P492-G494 VanDerWaalsContact O-N 3.13Å
495	T	58.2	Low	67.8	Low	41 Å²	41	61.1 Å²	61.1	25%	0.252	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-75.6	144.1	173.7	50	0	0	0	0	113.6	Y440 V491 P492	Y440-T495 HydrophobicContact CE2-CG2 4.1Å; V491-T495 HydrophobicContact CG1-CG2 3.79Å; V491-T495 WeakPolarHBondContact CG1-OG1 3.43Å; P492-T495 PolarHBondContact O-N 2.88Å; P492-T495 PolarHBondContact O-OG1 3.14Å; P492-T495 VanDerWaalsContact O-OG1 3.09Å
496	N	63.4	Low	68.4	Low	67 Å²	67	64.5 Å²	64.5	36%	0.358	39%	0.388	S	S	.	.	P	Polyproline II helix	trans	-69.5	139.7	175.7	-53.5	-77.2	0	0	0	111	Y440 H498	Y440-N496 PolarHBondContact OH-O 3.15Å; N496-H498 PolarHBondContact O-N 3.45Å
497	P	69.8	Low	69.8	Low	30 Å²	30	60.5 Å²	60.5	20%	0.195	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-67.4	118.9	-179.6	27.6	-34.3	0	0	0	111.2	F488 E513 T517	F488-P497 HydrophobicContact CE1-CB 4.39Å; P497-E513 WeakPolarHBondContact O-CA 3.29Å; P497-T517 WeakPolarHBondContact CB-OG1 3.42Å; P497-T517 WeakPolarHBondContact CG-OG1 3.38Å
498	H	80.7	Confident	71.4	Confident	6 Å²	6	57.3 Å²	57.3	3%	0.028	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-86.3	164.2	175.8	59.5	-68.7	0	0	0	111.8	A485 F488 N496 E501 F510	A485-H498 VanDerWaalsContact CB-O 3.25Å; A485-H498 WeakPolarHBondContact CB-O 3.49Å; F488-H498 AromaticContact CD1-CE1 3.98Å; F488-H498 AromaticContact CE1-CE1 3.76Å; F488-H498 AromaticContact CE1-ND1 3.82Å; N496-H498 PolarHBondContact O-N 3.45Å; H498-E501 IonicContact CD2-OE1 2.73Å; H498-E501 IonicContact CE1-OE1 3.46Å; H498-E501 IonicContact NE2-OE1 3.43Å; H498-E501 PolarHBondContact NE2-OE1 2.83Å; H498-F510 HydrophobicContact CB-CB 3.95Å; H498-F510 AromaticContact CD2-CD1 3.79Å; H498-F510 AromaticContact CE1-CD1 3.78Å; H498-F510 AromaticContact NE2-CD1 3.58Å
499	C	83.3	Confident	72.7	Confident	12 Å²	12	52.5 Å²	52.5	8%	0.081	33%	0.325	C	S	.	.	S	Bend	trans	-98.1	-38.8	178.9	-60	0	0	0	0	112.3	A485 V511 A550	A485-C499 VanDerWaalsContact CB-O 3.3Å; A485-C499 WeakPolarHBondContact CB-O 3.26Å; A485-C499 PolarHBondContact N-O 2.84Å; C499-V511 PolarHBondContact N-O 2.83Å; C499-A550 HydrophobicContact CB-CB 3.35Å; C499-A550 VanDerWaalsContact SG-CB 3.55Å
500	F	88.4	Confident	74.6	Confident	0 Å²	0	48 Å²	48	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	166.3	178.9	70.3	-91.3	0	0	0	112.1	M437 V482 R483 L502 V511 A550 W553 E554 I557	M437-F500 HydrophobicContact CE-CE1 4.15Å; M437-F500 HydrophobicContact CE-CZ 4.47Å; V482-F500 HydrophobicContact CG1-CD2 4.16Å; R483-F500 CarbonylContact O-C 3.6Å; R483-F500 VanDerWaalsContact O-CA 3.27Å; R483-F500 WeakPolarHBondContact O-CA 3.28Å; R483-F500 VanDerWaalsContact O-CB 3.31Å; R483-F500 WeakPolarHBondContact O-CB 3.39Å; F500-L502 HydrophobicContact CD2-CD2 4.18Å; F500-L502 HydrophobicContact CD2-CG 4.29Å; F500-L502 HydrophobicContact CE2-CD1 4.32Å; F500-L502 HydrophobicContact CE2-CD2 3.83Å; F500-L502 HydrophobicContact CE2-CG 3.87Å; F500-V511 HydrophobicContact CD1-CB 4.32Å; F500-V511 HydrophobicContact CD2-CB 4.05Å; F500-V511 HydrophobicContact CD2-CG2 4.46Å; F500-V511 HydrophobicContact CE1-CB 4.02Å; F500-V511 HydrophobicContact CE1-CG1 3.74Å; F500-V511 HydrophobicContact CE2-CB 3.73Å; F500-V511 HydrophobicContact CE2-CG1 3.84Å; F500-V511 HydrophobicContact CE2-CG2 4.08Å; F500-V511 HydrophobicContact CG-CB 4.34Å; F500-V511 HydrophobicContact CZ-CB 3.72Å; F500-V511 HydrophobicContact CZ-CG1 3.36Å; F500-V511 HydrophobicContact CZ-CG2 4.45Å; F500-V511 PolarHBondContact N-O 3.33Å; F500-V511 VanDerWaalsContact N-O 3.1Å; F500-V511 PolarHBondContact O-N 2.85Å; F500-A550 HydrophobicContact CD1-CB 4.13Å; F500-A550 HydrophobicContact CE1-CB 4.11Å; F500-A550 VanDerWaalsContact CE1-O 3.29Å; F500-A550 WeakPolarHBondContact CE1-O 3.4Å; F500-W553 HydrophobicContact CE1-CB 4.3Å; F500-W553 HydrophobicContact CZ-CB 4.24Å; F500-E554 HydrophobicContact CB-CG 4.07Å; F500-E554 HydrophobicContact CD1-CB 3.94Å; F500-E554 HydrophobicContact CD1-CG 4.34Å; F500-E554 HydrophobicContact CD2-CB 4.42Å; F500-E554 HydrophobicContact CD2-CG 4.16Å; F500-E554 HydrophobicContact CE1-CB 4.16Å; F500-E554 HydrophobicContact CG-CB 4.08Å; F500-E554 HydrophobicContact CG-CG 3.96Å; F500-E554 HydrophobicContact CZ-CB 4.47Å; F500-I557 HydrophobicContact CE2-CD1 4.13Å; F500-I557 HydrophobicContact CZ-CD1 4.14Å
501	E	89.3	Confident	76.5	Confident	23 Å²	23	40.4 Å²	40.4	11%	0.107	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	136.4	-178.2	-68.4	168.6	-158.2	0	0	110.8	V482 R483 H498 Y509 F510	V482-E501 WeakPolarHBondContact CA-O 3.3Å; R483-E501 HydrophobicContact CB-CB 4.29Å; R483-E501 PolarHBondContact N-O 2.8Å; R483-E501 PolarHBondContact O-N 2.83Å; H498-E501 IonicContact CD2-OE1 2.73Å; H498-E501 IonicContact CE1-OE1 3.46Å; H498-E501 IonicContact NE2-OE1 3.43Å; H498-E501 PolarHBondContact NE2-OE1 2.83Å; E501-Y509 CarbonylContact C-O 3.57Å; E501-Y509 VanDerWaalsContact CA-O 3.31Å; E501-Y509 WeakPolarHBondContact CA-O 3.26Å; E501-F510 HydrophobicContact CG-CD1 3.76Å; E501-F510 HydrophobicContact CG-CE1 4.08Å
502	L	90.3	Very high	77.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	111.3	167.9	-61.9	178.3	0	0	0	108.8	W452 I459 V482 F500 Y509 V511 I557	W452-L502 HydrophobicContact CH2-CD1 3.81Å; W452-L502 HydrophobicContact CZ3-CD1 3.94Å; I459-L502 HydrophobicContact CD1-CD1 4.06Å; V482-L502 HydrophobicContact CB-CD2 4.34Å; V482-L502 HydrophobicContact CG1-CD2 3.99Å; V482-L502 HydrophobicContact CG2-CD2 3.67Å; F500-L502 HydrophobicContact CD2-CD2 4.18Å; F500-L502 HydrophobicContact CD2-CG 4.29Å; F500-L502 HydrophobicContact CE2-CD1 4.32Å; F500-L502 HydrophobicContact CE2-CD2 3.83Å; F500-L502 HydrophobicContact CE2-CG 3.87Å; L502-Y509 HydrophobicContact CB-CD2 4.23Å; L502-Y509 PolarHBondContact N-O 3.4Å; L502-Y509 PolarHBondContact O-N 3.14Å; L502-V511 HydrophobicContact CD1-CG2 4.21Å; L502-V511 HydrophobicContact CG-CG2 4.16Å; L502-I557 HydrophobicContact CD1-CD1 4.31Å; L502-I557 HydrophobicContact CD2-CD1 4.33Å; L502-I557 HydrophobicContact CD2-CG2 4.11Å
503	V	87.7	Confident	79.2	Confident	28 Å²	28	37.1 Å²	37.1	17%	0.17	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	118.6	-178.9	-173.3	0	0	0	0	109.3	L480 E481	L480-V503 PolarHBondContact N-O 2.88Å; E481-V503 HydrophobicContact CB-CB 4.06Å; E481-V503 HydrophobicContact CB-CG2 4.31Å; E481-V503 PolarHBondContact N-O 3.02Å; E481-V503 PolarHBondContact O-N 2.96Å
504	T	88.7	Confident	80.4	Confident	8 Å²	8	27.6 Å²	27.6	5%	0.049	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	166.9	167.2	81.8	0	0	0	0	110.5	I474 E478 I479 T506 M507 Y509	I474-T504 HydrophobicContact CG2-CG2 4.33Å; E478-T504 HydrophobicContact CB-CG2 4.47Å; E478-T504 VanDerWaalsContact O-CA 3.26Å; E478-T504 WeakPolarHBondContact O-CA 3.43Å; E478-T504 WeakPolarHBondContact O-CB 3.45Å; I479-T504 HydrophobicContact CG1-CG2 4.48Å; T504-T506 PolarHBondContact O-N 3.23Å; T504-T506 PolarHBondContact OG1-N 3.37Å; T504-M507 PolarHBondContact N-O 2.9Å; T504-M507 PolarHBondContact O-N 2.78Å; T504-M507 PolarHBondContact OG1-N 2.87Å; T504-M507 PolarHBondContact OG1-O 2.84Å; T504-Y509 HydrophobicContact CG2-CE2 3.99Å
505	G	80.5	Confident	80.8	Confident	64 Å²	64	27.5 Å²	27.5	66%	0.66	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-7.5	178.6	0	0	0	0	0	115.8
506	T	84.4	Confident	80.8	Confident	93 Å²	93	32.7 Å²	32.7	57%	0.571	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-134	-6.8	-179	64.8	0	0	0	0	115.2	K443 T504	K443-T506 WeakPolarHBondContact CE-O 3.28Å; K443-T506 PolarHBondContact NZ-O 2.92Å; T504-T506 PolarHBondContact O-N 3.23Å; T504-T506 PolarHBondContact OG1-N 3.37Å
507	M	87	Confident	80.3	Confident	32 Å²	32	31.9 Å²	31.9	16%	0.158	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	141.3	-173	-166.2	75.1	81.4	0	0	110.6	N442 K443 T504 Y509	N442-M507 PolarHBondContact OD1-SD 3.21Å; N442-M507 VanDerWaalsContact OD1-SD 3.36Å; K443-M507 HydrophobicContact CB-CE 4.13Å; K443-M507 HydrophobicContact CB-SD 3.77Å; K443-M507 HydrophobicContact CD-CE 3.97Å; K443-M507 HydrophobicContact CD-SD 3.82Å; K443-M507 HydrophobicContact CG-CE 4.44Å; K443-M507 HydrophobicContact CG-SD 3.84Å; T504-M507 PolarHBondContact N-O 2.9Å; T504-M507 PolarHBondContact O-N 2.78Å; T504-M507 PolarHBondContact OG1-N 2.87Å; T504-M507 PolarHBondContact OG1-O 2.84Å; M507-Y509 HydrophobicContact CB-CE2 3.99Å; M507-Y509 HydrophobicContact CG-CD1 4.31Å; M507-Y509 HydrophobicContact CG-CD2 4.28Å; M507-Y509 HydrophobicContact CG-CE1 3.94Å; M507-Y509 HydrophobicContact CG-CE2 3.91Å; M507-Y509 HydrophobicContact CG-CG 4.47Å
508	C	87.9	Confident	79.2	Confident	17 Å²	17	37.1 Å²	37.1	12%	0.115	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	129.2	159.5	-170.9	0	0	0	0	108.6	S441 N442 F510	S441-C508 CarbonylContact C-O 3.29Å; S441-C508 WeakPolarHBondContact CA-O 3.28Å; S441-C508 WeakPolarHBondContact CB-O 3.47Å; N442-C508 HydrophobicContact CB-CB 4.3Å; N442-C508 PolarHBondContact N-O 2.87Å; N442-C508 PolarHBondContact OD1-N 2.93Å; N442-C508 PolarHBondContact OD1-O 3.04Å; C508-F510 HydrophobicContact CB-CZ 4.47Å
509	Y	89.6	Confident	77.3	Confident	8 Å²	8	41.7 Å²	41.7	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	129.8	170.8	-52.2	-95.4	0	0	0	109.2	Y440 K472 I474 E501 L502 T504 M507	Y440-Y509 CarbonylContact O-C 3.48Å; Y440-Y509 WeakPolarHBondContact O-CA 3.49Å; K472-Y509 VanDerWaalsContact CE-OH 3.27Å; K472-Y509 WeakPolarHBondContact CE-OH 3.15Å; K472-Y509 PolarHBondContact NZ-OH 2.79Å; I474-Y509 HydrophobicContact CD1-CD1 4.41Å; I474-Y509 HydrophobicContact CD1-CD2 4.19Å; I474-Y509 HydrophobicContact CD1-CE1 3.96Å; I474-Y509 HydrophobicContact CD1-CE2 3.71Å; I474-Y509 HydrophobicContact CG1-CE2 4.42Å; E501-Y509 CarbonylContact C-O 3.57Å; E501-Y509 VanDerWaalsContact CA-O 3.31Å; E501-Y509 WeakPolarHBondContact CA-O 3.26Å; L502-Y509 HydrophobicContact CB-CD2 4.23Å; L502-Y509 PolarHBondContact N-O 3.4Å; L502-Y509 PolarHBondContact O-N 3.14Å; T504-Y509 HydrophobicContact CG2-CE2 3.99Å; M507-Y509 HydrophobicContact CB-CE2 3.99Å; M507-Y509 HydrophobicContact CG-CD1 4.31Å; M507-Y509 HydrophobicContact CG-CD2 4.28Å; M507-Y509 HydrophobicContact CG-CE1 3.94Å; M507-Y509 HydrophobicContact CG-CE2 3.91Å; M507-Y509 HydrophobicContact CG-CG 4.47Å
510	F	88	Confident	75	Confident	22 Å²	22	47.1 Å²	47.1	10%	0.096	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.3	174.3	-55.7	-78.5	0	0	0	107.4	H439 Y440 N442 H498 E501 C508	H439-F510 CarbonylContact C-O 3.54Å; H439-F510 WeakPolarHBondContact CA-O 3.12Å; Y440-F510 HydrophobicContact CD1-CB 4.03Å; Y440-F510 HydrophobicContact CD2-CB 3.94Å; Y440-F510 AromaticContact CD2-CD2 3.57Å; Y440-F510 HydrophobicContact CD2-CD2 3.57Å; Y440-F510 HydrophobicContact CD2-CE2 4.49Å; Y440-F510 HydrophobicContact CD2-CG 4.11Å; Y440-F510 HydrophobicContact CE1-CB 3.7Å; Y440-F510 HydrophobicContact CE2-CB 3.6Å; Y440-F510 AromaticContact CE2-CD2 3.37Å; Y440-F510 HydrophobicContact CE2-CD2 3.37Å; Y440-F510 HydrophobicContact CE2-CE2 4.2Å; Y440-F510 AromaticContact CE2-CG 3.63Å; Y440-F510 HydrophobicContact CE2-CG 3.63Å; Y440-F510 HydrophobicContact CG-CB 4.15Å; Y440-F510 HydrophobicContact CG-CD2 4.47Å; Y440-F510 VanDerWaalsContact CZ-CB 3.47Å; Y440-F510 AromaticContact CZ-CG 3.91Å; Y440-F510 PolarHBondContact N-O 2.97Å; Y440-F510 PolarHBondContact O-N 3Å; N442-F510 HydrophobicContact CB-CE2 3.95Å; N442-F510 HydrophobicContact CB-CZ 4.37Å; H498-F510 HydrophobicContact CB-CB 3.95Å; H498-F510 AromaticContact CD2-CD1 3.79Å; H498-F510 AromaticContact CE1-CD1 3.78Å; H498-F510 AromaticContact NE2-CD1 3.58Å; E501-F510 HydrophobicContact CG-CD1 3.76Å; E501-F510 HydrophobicContact CG-CE1 4.08Å; C508-F510 HydrophobicContact CB-CZ 4.47Å
511	V	88.4	Confident	72.5	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141	-161	-169.3	0	0	0	0	111.9	M437 H439 W452 C499 F500 L502	M437-V511 HydrophobicContact CE-CG1 3.63Å; H439-V511 HydrophobicContact CB-CG2 4.38Å; W452-V511 HydrophobicContact CH2-CB 4.42Å; W452-V511 HydrophobicContact CH2-CG1 3.59Å; W452-V511 HydrophobicContact CH2-CG2 3.85Å; W452-V511 HydrophobicContact CZ2-CG1 4.11Å; W452-V511 HydrophobicContact CZ2-CG2 4.48Å; W452-V511 HydrophobicContact CZ3-CG1 4.1Å; C499-V511 PolarHBondContact N-O 2.83Å; F500-V511 HydrophobicContact CD1-CB 4.32Å; F500-V511 HydrophobicContact CD2-CB 4.05Å; F500-V511 HydrophobicContact CD2-CG2 4.46Å; F500-V511 HydrophobicContact CE1-CB 4.02Å; F500-V511 HydrophobicContact CE1-CG1 3.74Å; F500-V511 HydrophobicContact CE2-CB 3.73Å; F500-V511 HydrophobicContact CE2-CG1 3.84Å; F500-V511 HydrophobicContact CE2-CG2 4.08Å; F500-V511 HydrophobicContact CG-CB 4.34Å; F500-V511 HydrophobicContact CZ-CB 3.72Å; F500-V511 HydrophobicContact CZ-CG1 3.36Å; F500-V511 HydrophobicContact CZ-CG2 4.45Å; F500-V511 PolarHBondContact N-O 3.33Å; F500-V511 VanDerWaalsContact N-O 3.1Å; F500-V511 PolarHBondContact O-N 2.85Å; L502-V511 HydrophobicContact CD1-CG2 4.21Å; L502-V511 HydrophobicContact CG-CG2 4.16Å
512	G	83.6	Confident	69.9	Low	5 Å²	5	58.4 Å²	58.4	5%	0.052	36%	0.359	C	S	.	.			trans	80.2	174.1	-172.6	0	0	0	0	0	112.4	V438	V438-G512 PolarHBondContact O-N 3.28Å
513	E	77.8	Confident	67.1	Low	32 Å²	32	65.2 Å²	65.2	15%	0.15	40%	0.401	C	S	.	.			trans	-156.1	124.4	-178.4	-177.5	174.3	-176.4	0	0	107.4	R447 P497 I545 G546	R447-E513 IonicContact CZ-OE1 3.44Å; R447-E513 IonicContact CZ-OE2 3.95Å; R447-E513 IonicContact NE-OE1 2.66Å; R447-E513 PolarHBondContact NE-OE1 3.25Å; R447-E513 IonicContact NE-OE2 3.14Å; R447-E513 PolarHBondContact NE-OE2 2.98Å; R447-E513 IonicContact NH2-OE1 2.73Å; R447-E513 PolarHBondContact NH2-OE1 3.11Å; R447-E513 IonicContact NH2-OE2 2.68Å; R447-E513 PolarHBondContact NH2-OE2 3.12Å; P497-E513 WeakPolarHBondContact O-CA 3.29Å; E513-I545 HydrophobicContact CB-CG2 4.3Å; E513-I545 HydrophobicContact CG-CG2 4.42Å; E513-G546 WeakPolarHBondContact O-CA 3.33Å; E513-G546 PolarHBondContact O-N 3.47Å
514	D	68.4	Low	64.8	Low	11 Å²	11	69.6 Å²	69.6	6%	0.059	43%	0.433	C	S	.	.			trans	-113.3	99.3	179.1	-176.4	0.3	0	0	0	110	N516 T517 R547	D514-N516 PolarHBondContact O-N 3.11Å; D514-N516 PolarHBondContact OD1-N 2.84Å; D514-T517 HydrophobicContact CB-CG2 4.1Å; D514-T517 PolarHBondContact O-N 3.24Å; D514-T517 VanDerWaalsContact O-N 3.12Å; D514-T517 PolarHBondContact O-OG1 3.21Å; D514-T517 WeakPolarHBondContact OD2-CG2 3.3Å; D514-R547 WeakPolarHBondContact OD2-CD 3.43Å; D514-R547 IonicContact OD2-CZ 2.72Å; D514-R547 IonicContact OD2-NE 3.87Å; D514-R547 IonicContact OD2-NH1 3.78Å; D514-R547 PolarHBondContact OD2-NH1 2.83Å
515	P	60.8	Low	62.1	Low	78 Å²	78	76.2 Å²	76.2	51%	0.506	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-55.4	-20.5	-178.4	-27.4	35.9	0	0	0	114.9	T517 I545	P515-T517 VanDerWaalsContact C-N 3.32Å; P515-T517 PolarHBondContact O-N 3.42Å; P515-I545 HydrophobicContact CG-CG2 4Å
516	N	58.3	Low	60.1	Low	151 Å²	151	79.4 Å²	79.4	81%	0.807	48%	0.477	S	S	*	.	G	3₁₀ helix	trans	-85.7	1.9	-176.8	-60.1	-36	0	0	0	113.9	D514	D514-N516 PolarHBondContact O-N 3.11Å; D514-N516 PolarHBondContact OD1-N 2.84Å
517	T	53.9	Low	57.8	Low	49 Å²	49	84.2 Å²	84.2	30%	0.301	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-106.4	14.6	-175.1	54.9	0	0	0	0	114.9	P497 D514 P515 P519	P497-T517 WeakPolarHBondContact CB-OG1 3.42Å; P497-T517 WeakPolarHBondContact CG-OG1 3.38Å; D514-T517 HydrophobicContact CB-CG2 4.1Å; D514-T517 PolarHBondContact O-N 3.24Å; D514-T517 VanDerWaalsContact O-N 3.12Å; D514-T517 PolarHBondContact O-OG1 3.21Å; D514-T517 WeakPolarHBondContact OD2-CG2 3.3Å; P515-T517 VanDerWaalsContact C-N 3.32Å; P515-T517 PolarHBondContact O-N 3.42Å; T517-P519 WeakPolarHBondContact O-CD 3.34Å
518	L	46.7	Very low	55.3	Low	140 Å²	140	87.1 Å²	87.1	73%	0.733	52%	0.523	S	S	*	.			trans	-64.4	122.9	170.2	-89.2	160.8	0	0	0	111.6	S520	L518-S520 PolarHBondContact O-N 2.93Å
519	P	40.5	Very low	52.8	Low	103 Å²	103	94 Å²	94	67%	0.669	56%	0.557	S	S	*	*			trans	-64.4	130.7	168.3	-19.1	32.8	0	0	0	110.4	T517 L521	T517-P519 WeakPolarHBondContact O-CD 3.34Å; P519-L521 VanDerWaalsContact C-N 3.28Å; P519-L521 PolarHBondContact O-N 2.91Å
520	S	34.9	Very low	50.3	Low	126 Å²	126	99.6 Å²	99.6	88%	0.881	60%	0.595	S	S	*	*			trans	-75.7	71.1	-175.5	43.4	0	0	0	0	113.1	L518 S522	L518-S520 PolarHBondContact O-N 2.93Å; S520-S522 PolarHBondContact O-N 2.86Å
521	L	35.5	Very low	47.8	Very low	155 Å²	155	107.2 Å²	107.2	81%	0.812	63%	0.631	S	S	*	*			trans	-72.8	98.4	177.4	-91.2	162.3	0	0	0	112.5	P519	P519-L521 VanDerWaalsContact C-N 3.28Å; P519-L521 PolarHBondContact O-N 2.91Å
522	S	35.1	Very low	45.3	Very low	104 Å²	104	113.2 Å²	113.2	73%	0.727	67%	0.667	S	S	*	*			trans	57.2	102.4	155.8	60.1	0	0	0	0	118.9	S520	S520-S522 PolarHBondContact O-N 2.86Å
523	T	32.2	Very low	42.8	Very low	143 Å²	143	118.4 Å²	118.4	88%	0.877	70%	0.7	S	S	*	*			trans	-125.2	110.6	145.8	38.9	0	0	0	0	110.3	N525	T523-N525 PolarHBondContact O-N 3.41Å; T523-N525 VanDerWaalsContact O-N 3.09Å
524	S	39.4	Very low	40.7	Very low	120 Å²	120	122.9 Å²	122.9	84%	0.839	73%	0.732	S	S	*	*			trans	-81.9	78.2	177.6	55.6	0	0	0	0	111.3
525	N	32.2	Very low	39.1	Very low	147 Å²	147	126.5 Å²	126.5	79%	0.786	76%	0.758	S	S	*	*			trans	-160.3	102	166.1	-112.1	-17.8	0	0	0	112.3	T523 Q527	T523-N525 PolarHBondContact O-N 3.41Å; T523-N525 VanDerWaalsContact O-N 3.09Å; N525-Q527 VanDerWaalsContact C-N 3.31Å; N525-Q527 PolarHBondContact O-N 3.4Å
526	P	38.5	Very low	38.2	Very low	132 Å²	132	129 Å²	129	86%	0.857	77%	0.774	S	S	*	*			trans	-86.6	56.9	-175.1	36.4	-36.7	0	0	0	112.9
527	Q	35.5	Very low	37.1	Very low	194 Å²	194	126.2 Å²	126.2	91%	0.907	77%	0.766	S	S	*	*			trans	-152.6	52	178.1	-128.8	169.3	34	0	0	116.2	N525	N525-Q527 VanDerWaalsContact C-N 3.31Å; N525-Q527 PolarHBondContact O-N 3.4Å
528	A	34.4	Very low	36.4	Very low	93 Å²	93	131.8 Å²	131.8	77%	0.769	79%	0.791	S	S	*	*	S	Bend	trans	-145.3	141.5	157.6	0	0	0	0	0	109.5
529	L	35.4	Very low	36.2	Very low	161 Å²	161	129.6 Å²	129.6	84%	0.843	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-70.3	140.3	172.4	-74.9	82.5	0	0	0	109.4	Q531	L529-Q531 PolarHBondContact O-N 2.76Å
530	P	37.5	Very low	36.3	Very low	126 Å²	126	131.8 Å²	131.8	82%	0.818	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-64.6	119	166.6	27.8	-32.1	0	0	0	108.7
531	Q	35	Very low	36.6	Very low	182 Å²	182	131.3 Å²	131.3	85%	0.85	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-66.1	159.5	167.2	-66.4	-174	1.3	0	0	109.7	L529	L529-Q531 PolarHBondContact O-N 2.76Å
532	T	35.2	Very low	37.4	Very low	126 Å²	126	129.9 Å²	129.9	77%	0.773	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-50.5	142.2	179.8	46.4	0	0	0	0	112.2
533	P	32.8	Very low	38.6	Very low	114 Å²	114	125.9 Å²	125.9	74%	0.74	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-57.1	140.2	174.4	26	-34.6	0	0	0	110.1	S535	P533-S535 PolarHBondContact O-N 2.75Å
534	P	33.4	Very low	39.9	Very low	126 Å²	126	119.1 Å²	119.1	82%	0.818	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-62.9	136.1	179.9	26.4	-33.9	0	0	0	110.5
535	S	34.9	Very low	41.2	Very low	86 Å²	86	115.6 Å²	115.6	60%	0.601	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-57.1	148.8	-176.9	-54	0	0	0	0	112.4	P533 S537	P533-S535 PolarHBondContact O-N 2.75Å; S535-S537 PolarHBondContact O-N 3.32Å
536	P	41.1	Very low	43	Very low	130 Å²	130	109.2 Å²	109.2	84%	0.844	64%	0.643	S	S	*	*	S	Bend	trans	-60.9	-3.5	-178.6	-25.3	35.1	0	0	0	116.5	M538	P536-M538 VanDerWaalsContact C-N 3.29Å; P536-M538 PolarHBondContact O-N 2.79Å; P536-M538 VanDerWaalsContact O-N 3.16Å
537	S	34.6	Very low	44.8	Very low	93 Å²	93	109.4 Å²	109.4	65%	0.65	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.6	19.1	-165.5	53.1	0	0	0	0	116.1	S535	S535-S537 PolarHBondContact O-N 3.32Å
538	M	39.7	Very low	46.8	Very low	166 Å²	166	108.2 Å²	108.2	82%	0.818	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.1	-2.2	-177.6	-77	-70.2	135.2	0	0	115.2	P536 Q540	P536-M538 VanDerWaalsContact C-N 3.29Å; P536-M538 PolarHBondContact O-N 2.79Å; P536-M538 VanDerWaalsContact O-N 3.16Å; M538-Q540 PolarHBondContact O-N 2.91Å
539	V	41.9	Very low	49.1	Very low	94 Å²	94	105.9 Å²	105.9	57%	0.57	60%	0.597	S	S	*	*			trans	-77.3	105.9	171.5	-174.5	0	0	0	0	109.1
540	Q	44.4	Very low	51.5	Low	149 Å²	149	98.2 Å²	98.2	70%	0.696	56%	0.557	S	S	*	*			trans	-60.6	129.5	174.4	-72.3	-174.9	-9.4	0	0	110.6	M538 N542 S543	M538-Q540 PolarHBondContact O-N 2.91Å; Q540-N542 PolarHBondContact O-N 3.08Å; Q540-S543 VanDerWaalsContact O-CB 3.26Å; Q540-S543 WeakPolarHBondContact O-CB 3.36Å; Q540-S543 PolarHBondContact O-N 2.63Å; Q540-S543 PolarHBondContact O-OG 3.09Å
541	P	40.4	Very low	53.6	Low	116 Å²	116	95.6 Å²	95.6	75%	0.753	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	136.2	168.2	25.1	-32.6	0	0	0	109.2
542	N	51.5	Low	55.9	Low	125 Å²	125	89 Å²	89	67%	0.668	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	14	-171.7	-47.3	-48.3	0	0	0	116.8	R449 Q540 G544	R449-N542 PolarHBondContact NH2-O 2.84Å; Q540-N542 PolarHBondContact O-N 3.08Å; N542-G544 VanDerWaalsContact C-N 3.3Å; N542-G544 PolarHBondContact O-N 2.83Å
543	S	61.3	Low	58.5	Low	20 Å²	20	83.2 Å²	83.2	14%	0.14	48%	0.477	C	S	.	.			trans	-58.7	-38.6	170.6	67.1	0	0	0	0	113.1	R449 Q540 I545	R449-S543 VanDerWaalsContact CZ-O 3.3Å; R449-S543 PolarHBondContact NE-O 2.92Å; R449-S543 PolarHBondContact NH2-O 2.72Å; Q540-S543 VanDerWaalsContact O-CB 3.26Å; Q540-S543 WeakPolarHBondContact O-CB 3.36Å; Q540-S543 PolarHBondContact O-N 2.63Å; Q540-S543 PolarHBondContact O-OG 3.09Å; S543-I545 VanDerWaalsContact C-N 3.34Å; S543-I545 PolarHBondContact OG-N 2.91Å; S543-I545 VanDerWaalsContact OG-N 3.14Å; S543-I545 PolarHBondContact OG-O 2.82Å; S543-I545 VanDerWaalsContact OG-O 3.06Å
544	G	59.7	Low	61	Low	2 Å²	2	78.9 Å²	78.9	2%	0.021	45%	0.447	C	S	.	.	S	Bend	trans	77.1	19.1	-170.4	0	0	0	0	0	114.3	W436 V438 N542	W436-G544 WeakPolarHBondContact O-CA 3.44Å; V438-G544 PolarHBondContact N-O 3.25Å; N542-G544 VanDerWaalsContact C-N 3.3Å; N542-G544 PolarHBondContact O-N 2.83Å
545	I	65.1	Low	63.3	Low	46 Å²	46	76.1 Å²	76.1	24%	0.236	43%	0.43	C	S	.	.			trans	-133.2	144.3	-178	-61.3	169.9	0	0	0	107.5	V438 E513 P515 S543	V438-I545 HydrophobicContact CG2-CD1 4.41Å; V438-I545 HydrophobicContact CG2-CG1 3.83Å; E513-I545 HydrophobicContact CB-CG2 4.3Å; E513-I545 HydrophobicContact CG-CG2 4.42Å; P515-I545 HydrophobicContact CG-CG2 4Å; S543-I545 VanDerWaalsContact C-N 3.34Å; S543-I545 PolarHBondContact OG-N 2.91Å; S543-I545 VanDerWaalsContact OG-N 3.14Å; S543-I545 PolarHBondContact OG-O 2.82Å; S543-I545 VanDerWaalsContact OG-O 3.06Å
546	G	70.8	Confident	65.7	Low	13 Å²	13	72.4 Å²	72.4	13%	0.134	40%	0.404	C	S	.	.	S	Bend	trans	109.7	146.2	-178.2	0	0	0	0	0	113.3	E513 E548 V549 A550	E513-G546 WeakPolarHBondContact O-CA 3.33Å; E513-G546 PolarHBondContact O-N 3.47Å; G546-E548 PolarHBondContact O-N 3.07Å; G546-V549 PolarHBondContact O-N 3.17Å; G546-A550 PolarHBondContact O-N 2.72Å; G546-A550 VanDerWaalsContact O-N 3.14Å
547	R	76.1	Confident	67.8	Low	136 Å²	136	66.2 Å²	66.2	51%	0.513	36%	0.364	S	S	.	.	H	α-helix	trans	-64.8	-40.3	-170.6	-167.2	151.5	-178.4	158.4	0	114.1	D514 V549 A550 N551	D514-R547 WeakPolarHBondContact OD2-CD 3.43Å; D514-R547 IonicContact OD2-CZ 2.72Å; D514-R547 IonicContact OD2-NE 3.87Å; D514-R547 IonicContact OD2-NH1 3.78Å; D514-R547 PolarHBondContact OD2-NH1 2.83Å; R547-V549 PolarHBondContact O-N 3.44Å; R547-A550 PolarHBondContact O-N 2.74Å; R547-N551 WeakPolarHBondContact O-CB 3.48Å; R547-N551 PolarHBondContact O-N 3.21Å; R547-N551 PolarHBondContact O-OD1 3.02Å; R547-N551 VanDerWaalsContact O-OD1 3.14Å
548	E	78.1	Confident	70	Confident	168 Å²	168	66.2 Å²	66.2	79%	0.785	35%	0.35	S	S	*	.	H	α-helix	trans	-60.9	-43.7	176.7	-65.6	174	-175.5	0	0	112.2	G546 A550 N551 A552	G546-E548 PolarHBondContact O-N 3.07Å; E548-A550 VanDerWaalsContact C-N 3.33Å; E548-A550 PolarHBondContact O-N 3.18Å; E548-N551 PolarHBondContact O-N 2.82Å; E548-A552 VanDerWaalsContact O-CB 3.26Å; E548-A552 WeakPolarHBondContact O-CB 3.44Å; E548-A552 PolarHBondContact O-N 2.89Å
549	V	83.5	Confident	71.8	Confident	44 Å²	44	62.9 Å²	62.9	27%	0.267	33%	0.332	S	S	.	.	H	α-helix	trans	-63	-43.7	177.1	-179.3	0	0	0	0	109.9	M437 G546 R547 A552 W553	M437-V549 HydrophobicContact SD-CG1 4.09Å; G546-V549 PolarHBondContact O-N 3.17Å; R547-V549 PolarHBondContact O-N 3.44Å; V549-A552 PolarHBondContact O-N 2.85Å; V549-W553 VanDerWaalsContact O-CD1 3.29Å; V549-W553 PolarHBondContact O-N 2.91Å; V549-W553 VanDerWaalsContact O-N 3.07Å
550	A	83.9	Confident	73.4	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-64.8	-47.6	177.5	0	0	0	0	0	112.3	M437 C499 F500 G546 R547 E548 A552 W553 E554	M437-A550 HydrophobicContact CE-CB 4.46Å; C499-A550 HydrophobicContact CB-CB 3.35Å; C499-A550 VanDerWaalsContact SG-CB 3.55Å; F500-A550 HydrophobicContact CD1-CB 4.13Å; F500-A550 HydrophobicContact CE1-CB 4.11Å; F500-A550 VanDerWaalsContact CE1-O 3.29Å; F500-A550 WeakPolarHBondContact CE1-O 3.4Å; G546-A550 PolarHBondContact O-N 2.72Å; G546-A550 VanDerWaalsContact O-N 3.14Å; R547-A550 PolarHBondContact O-N 2.74Å; E548-A550 VanDerWaalsContact C-N 3.33Å; E548-A550 PolarHBondContact O-N 3.18Å; A550-A552 VanDerWaalsContact C-N 3.31Å; A550-A552 PolarHBondContact O-N 2.85Å; A550-W553 CarbonylContact O-C 3.24Å; A550-W553 WeakPolarHBondContact O-CA 3.06Å; A550-W553 WeakPolarHBondContact O-CB 2.95Å; A550-W553 PolarHBondContact O-N 3.05Å; A550-E554 PolarHBondContact O-N 3.3Å
551	N	82.6	Confident	74.9	Confident	71 Å²	71	52.5 Å²	52.5	38%	0.38	28%	0.28	S	S	.	.	H	α-helix	trans	-57.4	-43.5	174.8	-66.8	1.7	0	0	0	111.2	R547 E548 W553 E554 C555	R547-N551 WeakPolarHBondContact O-CB 3.48Å; R547-N551 PolarHBondContact O-N 3.21Å; R547-N551 PolarHBondContact O-OD1 3.02Å; R547-N551 VanDerWaalsContact O-OD1 3.14Å; E548-N551 PolarHBondContact O-N 2.82Å; N551-W553 PolarHBondContact O-N 3.23Å; N551-E554 PolarHBondContact O-N 2.96Å; N551-C555 WeakPolarHBondContact O-CB 3.41Å; N551-C555 PolarHBondContact O-N 3.01Å; N551-C555 PolarHBondContact O-SG 2.93Å; N551-C555 VanDerWaalsContact O-SG 3.4Å
552	A	83.6	Confident	76.2	Confident	44 Å²	44	49.9 Å²	49.9	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-69.2	-17.8	178.1	0	0	0	0	0	113.8	K433 E548 V549 A550 A556	K433-A552 WeakPolarHBondContact CE-O 3.31Å; K433-A552 PolarHBondContact NZ-O 3.08Å; K433-A552 VanDerWaalsContact NZ-O 3.13Å; E548-A552 VanDerWaalsContact O-CB 3.26Å; E548-A552 WeakPolarHBondContact O-CB 3.44Å; E548-A552 PolarHBondContact O-N 2.89Å; V549-A552 PolarHBondContact O-N 2.85Å; A550-A552 VanDerWaalsContact C-N 3.31Å; A550-A552 PolarHBondContact O-N 2.85Å; A552-A556 WeakPolarHBondContact O-CB 3.45Å
553	W	88.6	Confident	76.5	Confident	5 Å²	5	44.1 Å²	44.1	2%	0.019	23%	0.227	C	C	.	.	H	α-helix	trans	-86.5	-42	167.6	-89.9	100.9	0	0	0	111.9	K433 M437 W452 L454 F500 V549 A550 N551 A556 I557	K433-W553 HydrophobicContact CB-CH2 4.22Å; K433-W553 HydrophobicContact CB-CZ3 4.22Å; K433-W553 HydrophobicContact CD-CD2 3.65Å; K433-W553 HydrophobicContact CD-CE3 3.84Å; K433-W553 HydrophobicContact CD-CG 4.09Å; K433-W553 HydrophobicContact CD-CH2 4.38Å; K433-W553 HydrophobicContact CD-CZ2 4.22Å; K433-W553 HydrophobicContact CD-CZ3 4.2Å; K433-W553 HydrophobicContact CG-CD2 4.35Å; K433-W553 HydrophobicContact CG-CE3 4.4Å; K433-W553 HydrophobicContact CG-CH2 4.07Å; K433-W553 HydrophobicContact CG-CZ2 4.01Å; K433-W553 HydrophobicContact CG-CZ3 4.26Å; K433-W553 WeakPolarHBondContact O-CH2 3.41Å; M437-W553 HydrophobicContact CE-CB 4.27Å; M437-W553 HydrophobicContact CE-CG 4.28Å; M437-W553 HydrophobicContact CG-CD2 4.09Å; M437-W553 HydrophobicContact CG-CG 4.07Å; M437-W553 HydrophobicContact CG-CZ2 4.41Å; M437-W553 HydrophobicContact SD-CB 4.45Å; M437-W553 HydrophobicContact SD-CD2 4.48Å; M437-W553 HydrophobicContact SD-CG 3.86Å; W452-W553 HydrophobicContact CB-CH2 3.54Å; W452-W553 HydrophobicContact CB-CZ2 3.91Å; W452-W553 HydrophobicContact CB-CZ3 4.05Å; W452-W553 HydrophobicContact CE3-CE3 4.22Å; W452-W553 HydrophobicContact CE3-CZ3 4.24Å; L454-W553 HydrophobicContact CB-CZ3 3.86Å; F500-W553 HydrophobicContact CE1-CB 4.3Å; F500-W553 HydrophobicContact CZ-CB 4.24Å; V549-W553 VanDerWaalsContact O-CD1 3.29Å; V549-W553 PolarHBondContact O-N 2.91Å; V549-W553 VanDerWaalsContact O-N 3.07Å; A550-W553 CarbonylContact O-C 3.24Å; A550-W553 WeakPolarHBondContact O-CA 3.06Å; A550-W553 WeakPolarHBondContact O-CB 2.95Å; A550-W553 PolarHBondContact O-N 3.05Å; N551-W553 PolarHBondContact O-N 3.23Å; W553-A556 PolarHBondContact O-N 2.81Å; W553-I557 HydrophobicContact CE3-CD1 4.31Å; W553-I557 HydrophobicContact CE3-CG1 4.46Å; W553-I557 WeakPolarHBondContact O-CB 3.49Å; W553-I557 WeakPolarHBondContact O-CD1 3.23Å; W553-I557 VanDerWaalsContact O-CG1 3.23Å; W553-I557 WeakPolarHBondContact O-CG1 3.45Å; W553-I557 PolarHBondContact O-N 3.11Å
554	E	86.6	Confident	76	Confident	22 Å²	22	46.7 Å²	46.7	10%	0.103	24%	0.242	C	C	.	.	H	α-helix	trans	-57.7	-50	175.6	-163.8	-162.6	142.3	0	0	110.8	V482 F500 A550 N551 A556 I557 R558	V482-E554 HydrophobicContact CG1-CG 3.64Å; F500-E554 HydrophobicContact CB-CG 4.07Å; F500-E554 HydrophobicContact CD1-CB 3.94Å; F500-E554 HydrophobicContact CD1-CG 4.34Å; F500-E554 HydrophobicContact CD2-CB 4.42Å; F500-E554 HydrophobicContact CD2-CG 4.16Å; F500-E554 HydrophobicContact CE1-CB 4.16Å; F500-E554 HydrophobicContact CG-CB 4.08Å; F500-E554 HydrophobicContact CG-CG 3.96Å; F500-E554 HydrophobicContact CZ-CB 4.47Å; A550-E554 PolarHBondContact O-N 3.3Å; N551-E554 PolarHBondContact O-N 2.96Å; E554-A556 PolarHBondContact O-N 2.73Å; E554-I557 PolarHBondContact O-N 3.2Å; E554-R558 WeakPolarHBondContact O-CB 3.48Å; E554-R558 WeakPolarHBondContact O-CG 3.04Å; E554-R558 PolarHBondContact O-N 2.84Å; E554-R558 IonicContact OE1-CZ 2.81Å; E554-R558 IonicContact OE1-NE 2.93Å; E554-R558 PolarHBondContact OE1-NE 3.36Å; E554-R558 IonicContact OE1-NH2 3.73Å; E554-R558 PolarHBondContact OE1-NH2 3.43Å
555	C	81.8	Confident	75.6	Confident	68 Å²	68	47.5 Å²	47.5	46%	0.459	25%	0.246	S	C	.	.	H	α-helix	trans	-59.8	-44	176	-71.3	0	0	0	0	112.4	N551 R558 Q559	N551-C555 WeakPolarHBondContact O-CB 3.41Å; N551-C555 PolarHBondContact O-N 3.01Å; N551-C555 PolarHBondContact O-SG 2.93Å; N551-C555 VanDerWaalsContact O-SG 3.4Å; C555-R558 PolarHBondContact O-N 2.89Å; C555-Q559 WeakPolarHBondContact O-CB 3.28Å; C555-Q559 VanDerWaalsContact O-CG 3.28Å; C555-Q559 WeakPolarHBondContact O-CG 3.49Å; C555-Q559 PolarHBondContact O-N 2.73Å
556	A	83.8	Confident	74.8	Confident	9 Å²	9	48.4 Å²	48.4	7%	0.074	25%	0.248	C	C	.	.	H	α-helix	trans	-66.3	-38.6	178.6	0	0	0	0	0	112.3	K433 L454 A552 W553 E554 Q559 A560	K433-A556 HydrophobicContact CB-CB 4.41Å; K433-A556 HydrophobicContact CD-CB 3.59Å; L454-A556 HydrophobicContact CD2-CB 4.1Å; L454-A556 WeakPolarHBondContact CD2-O 3.25Å; A552-A556 WeakPolarHBondContact O-CB 3.45Å; W553-A556 PolarHBondContact O-N 2.81Å; E554-A556 PolarHBondContact O-N 2.73Å; A556-Q559 PolarHBondContact O-N 3.46Å; A556-A560 WeakPolarHBondContact O-CB 3.46Å; A556-A560 PolarHBondContact O-N 2.72Å
557	I	86.1	Confident	73.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-66.6	-46.2	174.5	-66.6	163.8	0	0	0	109.7	W452 L454 I459 I479 V482 F500 L502 W553 E554 Q559 A560 L561	W452-I557 HydrophobicContact CZ3-CD1 4.09Å; L454-I557 HydrophobicContact CD2-CG1 4.17Å; I459-I557 HydrophobicContact CD1-CD1 3.77Å; I459-I557 HydrophobicContact CD1-CG1 3.92Å; I459-I557 HydrophobicContact CD1-CG2 4.3Å; I479-I557 HydrophobicContact CD1-CG2 4.37Å; V482-I557 HydrophobicContact CG2-CG2 4.13Å; F500-I557 HydrophobicContact CE2-CD1 4.13Å; F500-I557 HydrophobicContact CZ-CD1 4.14Å; L502-I557 HydrophobicContact CD1-CD1 4.31Å; L502-I557 HydrophobicContact CD2-CD1 4.33Å; L502-I557 HydrophobicContact CD2-CG2 4.11Å; W553-I557 HydrophobicContact CE3-CD1 4.31Å; W553-I557 HydrophobicContact CE3-CG1 4.46Å; W553-I557 WeakPolarHBondContact O-CB 3.49Å; W553-I557 WeakPolarHBondContact O-CD1 3.23Å; W553-I557 VanDerWaalsContact O-CG1 3.23Å; W553-I557 WeakPolarHBondContact O-CG1 3.45Å; W553-I557 PolarHBondContact O-N 3.11Å; E554-I557 PolarHBondContact O-N 3.2Å; I557-Q559 VanDerWaalsContact C-N 3.34Å; I557-Q559 PolarHBondContact O-N 3.01Å; I557-A560 PolarHBondContact O-N 2.93Å; I557-A560 VanDerWaalsContact O-N 3.15Å; I557-L561 HydrophobicContact CG2-CD1 3.8Å; I557-L561 HydrophobicContact CG2-CG 4.27Å; I557-L561 WeakPolarHBondContact O-CG 3.27Å; I557-L561 PolarHBondContact O-N 2.95Å
558	R	81.7	Confident	72	Confident	93 Å²	93	51.8 Å²	51.8	35%	0.351	27%	0.27	S	S	.	.	H	α-helix	trans	-56.2	-45.9	173.8	-72.1	180	-173.5	-69.8	0.1	111.7	V482 E554 C555 A560 L561 M562	V482-R558 HydrophobicContact CB-CG 4.42Å; V482-R558 HydrophobicContact CG1-CG 4.47Å; V482-R558 VanDerWaalsContact O-CZ 3.26Å; V482-R558 PolarHBondContact O-NH1 3.15Å; V482-R558 PolarHBondContact O-NH2 3.41Å; E554-R558 WeakPolarHBondContact O-CB 3.48Å; E554-R558 WeakPolarHBondContact O-CG 3.04Å; E554-R558 PolarHBondContact O-N 2.84Å; E554-R558 IonicContact OE1-CZ 2.81Å; E554-R558 IonicContact OE1-NE 2.93Å; E554-R558 PolarHBondContact OE1-NE 3.36Å; E554-R558 IonicContact OE1-NH2 3.73Å; E554-R558 PolarHBondContact OE1-NH2 3.43Å; C555-R558 PolarHBondContact O-N 2.89Å; R558-A560 VanDerWaalsContact C-N 3.34Å; R558-A560 PolarHBondContact O-N 2.83Å; R558-L561 PolarHBondContact O-N 3.13Å; R558-M562 WeakPolarHBondContact O-CG 3.46Å; R558-M562 PolarHBondContact O-N 2.92Å; R558-M562 VanDerWaalsContact O-N 3.07Å
559	Q	76.1	Confident	69.9	Low	96 Å²	96	46.9 Å²	46.9	45%	0.449	26%	0.259	S	S	.	.	H	α-helix	trans	-63.4	-33.7	176.5	-76	172.1	-21	0	0	113.6	C555 A556 I557 Q567	C555-Q559 WeakPolarHBondContact O-CB 3.28Å; C555-Q559 VanDerWaalsContact O-CG 3.28Å; C555-Q559 WeakPolarHBondContact O-CG 3.49Å; C555-Q559 PolarHBondContact O-N 2.73Å; A556-Q559 PolarHBondContact O-N 3.46Å; I557-Q559 VanDerWaalsContact C-N 3.34Å; I557-Q559 PolarHBondContact O-N 3.01Å; Q559-Q567 PolarHBondContact O-NE2 3.19Å
560	A	76.3	Confident	67.3	Low	10 Å²	10	50.5 Å²	50.5	8%	0.083	28%	0.283	C	S	.	.	H	α-helix	trans	-81.4	-18.8	175.2	0	0	0	0	0	113.8	I432 L454 L476 A556 I557 R558	I432-A560 HydrophobicContact CD1-CB 3.93Å; L454-A560 HydrophobicContact CD1-CB 3.88Å; L454-A560 HydrophobicContact CD2-CB 3.97Å; L454-A560 HydrophobicContact CG-CB 4.22Å; L476-A560 HydrophobicContact CD1-CB 3.97Å; A556-A560 WeakPolarHBondContact O-CB 3.46Å; A556-A560 PolarHBondContact O-N 2.72Å; I557-A560 PolarHBondContact O-N 2.93Å; I557-A560 VanDerWaalsContact O-N 3.15Å; R558-A560 VanDerWaalsContact C-N 3.34Å; R558-A560 PolarHBondContact O-N 2.83Å
561	L	75.1	Confident	64.8	Low	15 Å²	15	55.4 Å²	55.4	8%	0.079	32%	0.315	C	S	.	.	H	α-helix	trans	-79.8	-27.1	170.6	-68.5	167.4	0	0	0	112	L476 I479 V482 I557 R558 R624	L476-L561 HydrophobicContact CB-CD2 4.11Å; L476-L561 HydrophobicContact CD2-CD2 4.03Å; L476-L561 HydrophobicContact CD2-CG 4.49Å; L476-L561 VanDerWaalsContact O-CD2 3.3Å; L476-L561 WeakPolarHBondContact O-CD2 3.48Å; I479-L561 HydrophobicContact CB-CD2 3.97Å; I479-L561 HydrophobicContact CD1-CD2 4.4Å; I479-L561 HydrophobicContact CG2-CD1 4.01Å; I479-L561 HydrophobicContact CG2-CD2 4.3Å; V482-L561 HydrophobicContact CG2-CD1 3.52Å; I557-L561 HydrophobicContact CG2-CD1 3.8Å; I557-L561 HydrophobicContact CG2-CG 4.27Å; I557-L561 WeakPolarHBondContact O-CG 3.27Å; I557-L561 PolarHBondContact O-N 2.95Å; R558-L561 PolarHBondContact O-N 3.13Å; L561-R624 VanDerWaalsContact CD2-NH1 3.33Å; L561-R624 PolarHBondContact O-NH2 2.89Å
562	M	67.4	Low	62.3	Low	60 Å²	60	55.7 Å²	55.7	30%	0.296	33%	0.327	S	S	.	.	S	Bend	trans	-66.9	140.9	165.1	-63.2	-60.1	95.3	0	0	110.5	R558 V564 D597	R558-M562 WeakPolarHBondContact O-CG 3.46Å; R558-M562 PolarHBondContact O-N 2.92Å; R558-M562 VanDerWaalsContact O-N 3.07Å; M562-V564 PolarHBondContact O-N 3.35Å; M562-D597 VanDerWaalsContact CE-OD2 3.27Å; M562-D597 WeakPolarHBondContact CE-OD2 2.99Å
563	P	57.7	Low	59.8	Low	4 Å²	4	63.2 Å²	63.2	3%	0.026	36%	0.355	C	S	.	.			trans	-54.1	133	165	-25.9	34.6	0	0	0	111.1	I565 F566 I604	P563-I565 HydrophobicContact CB-CB 4.32Å; P563-I565 PolarHBondContact O-N 2.91Å; P563-F566 HydrophobicContact CB-CD2 3.97Å; P563-F566 HydrophobicContact CB-CE2 4.25Å; P563-F566 HydrophobicContact CG-CD2 4.09Å; P563-F566 HydrophobicContact CG-CE2 4.03Å; P563-F566 PolarHBondContact O-N 3.29Å; P563-I604 HydrophobicContact CB-CB 4.25Å; P563-I604 HydrophobicContact CB-CD1 4.06Å; P563-I604 HydrophobicContact CB-CG1 4.41Å; P563-I604 HydrophobicContact CG-CB 4.27Å; P563-I604 HydrophobicContact CG-CD1 3.76Å; P563-I604 HydrophobicContact CG-CG1 3.99Å
564	V	51.6	Low	57.1	Low	75 Å²	75	66.8 Å²	66.8	46%	0.455	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-50.3	-27.2	177	179	0	0	0	0	112.4	M562 F566 Q567 A606	M562-V564 PolarHBondContact O-N 3.35Å; V564-F566 PolarHBondContact O-N 3Å; V564-Q567 WeakPolarHBondContact O-CB 3.29Å; V564-Q567 PolarHBondContact O-N 3.27Å; V564-A606 HydrophobicContact CB-CB 4.16Å; V564-A606 HydrophobicContact CG2-CB 4.19Å
565	I	50.4	Low	54.4	Low	18 Å²	18	73.8 Å²	73.8	9%	0.092	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	-55.1	-17	174.8	-57.1	176.8	0	0	0	113.8	P563 Y619 V634 K675 F677	P563-I565 HydrophobicContact CB-CB 4.32Å; P563-I565 PolarHBondContact O-N 2.91Å; I565-Y619 HydrophobicContact CD1-CD2 4.12Å; I565-Y619 HydrophobicContact CD1-CE2 3.69Å; I565-V634 HydrophobicContact CD1-CB 4.33Å; I565-V634 HydrophobicContact CD1-CG1 4.07Å; I565-V634 HydrophobicContact CD1-CG2 3.99Å; I565-V634 HydrophobicContact CG2-CG1 4.18Å; I565-K675 HydrophobicContact CG2-CD 3.52Å; I565-K675 PolarHBondContact O-NZ 3.31Å; I565-F677 HydrophobicContact CG2-CZ 4.45Å
566	F	49.9	Very low	51.8	Low	66 Å²	66	76.8 Å²	76.8	29%	0.289	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-102.2	1.2	176.6	-67.6	-72.4	0	0	0	114.7	P563 V564 D568 I598 T672 F677	P563-F566 HydrophobicContact CB-CD2 3.97Å; P563-F566 HydrophobicContact CB-CE2 4.25Å; P563-F566 HydrophobicContact CG-CD2 4.09Å; P563-F566 HydrophobicContact CG-CE2 4.03Å; P563-F566 PolarHBondContact O-N 3.29Å; V564-F566 PolarHBondContact O-N 3Å; F566-D568 VanDerWaalsContact C-N 3.28Å; F566-D568 PolarHBondContact O-N 2.79Å; F566-I598 HydrophobicContact CE2-CG2 3.98Å; F566-I598 HydrophobicContact CZ-CG2 4.23Å; F566-T672 HydrophobicContact CE1-CG2 3.98Å; F566-T672 HydrophobicContact CZ-CG2 4.1Å; F566-F677 HydrophobicContact CE1-CE2 4.21Å; F566-F677 HydrophobicContact CE1-CZ 4.02Å; F566-F677 HydrophobicContact CE2-CE1 4.22Å; F566-F677 HydrophobicContact CE2-CE2 4.3Å; F566-F677 AromaticContact CE2-CZ 3.65Å; F566-F677 HydrophobicContact CE2-CZ 3.65Å; F566-F677 HydrophobicContact CZ-CE1 4.23Å; F566-F677 AromaticContact CZ-CE2 3.53Å; F566-F677 HydrophobicContact CZ-CE2 3.53Å; F566-F677 AromaticContact CZ-CZ 3.27Å; F566-F677 HydrophobicContact CZ-CZ 3.27Å
567	Q	50.8	Low	49.5	Very low	94 Å²	94	82 Å²	82	44%	0.439	48%	0.475	S	S	.	.			trans	-86.1	13.8	-170.7	-63.6	-179.9	-9.5	0	0	114.7	Q559 V564 A569	Q559-Q567 PolarHBondContact O-NE2 3.19Å; V564-Q567 WeakPolarHBondContact O-CB 3.29Å; V564-Q567 PolarHBondContact O-N 3.27Å; Q567-A569 PolarHBondContact O-N 3.23Å
568	D	37.4	Very low	47.2	Very low	125 Å²	125	90.3 Å²	90.3	67%	0.668	51%	0.513	S	S	*	.	S	Bend	trans	-73.9	28.4	-177	-71.5	-44.2	0	0	0	114.7	F566 K675	F566-D568 VanDerWaalsContact C-N 3.28Å; F566-D568 PolarHBondContact O-N 2.79Å; D568-K675 IonicContact OD2-NZ 3.88Å
569	A	31.9	Very low	45	Very low	65 Å²	65	97.4 Å²	97.4	54%	0.537	54%	0.54	S	S	.	.	S	Bend	trans	-162.8	135.5	163.5	0	0	0	0	0	111.9	Q567	Q567-A569 PolarHBondContact O-N 3.23Å
570	P	30.4	Very low	43	Very low	121 Å²	121	102.1 Å²	102.1	79%	0.786	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-72.6	135.3	162.2	30.9	-31.8	0	0	0	109.7	A572	P570-A572 PolarHBondContact O-N 2.85Å
571	P	31.3	Very low	41	Very low	103 Å²	103	103.4 Å²	103.4	67%	0.669	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-69.3	119.7	177.1	27.9	-33.3	0	0	0	110.3
572	A	29.4	Very low	39	Very low	76 Å²	76	107.1 Å²	107.1	63%	0.628	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-67.1	134	171.8	0	0	0	0	0	110.5	P570 G574	P570-A572 PolarHBondContact O-N 2.85Å; A572-G574 PolarHBondContact O-N 2.78Å
573	E	31.3	Very low	37.9	Very low	203 Å²	203	105.3 Å²	105.3	95%	0.949	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	121.7	178.7	-62.8	-172.9	144.9	0	0	110.6
574	G	32.9	Very low	37.1	Very low	80 Å²	80	107.9 Å²	107.9	83%	0.825	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	126.9	-14.4	173.3	0	0	0	0	0	116.6	A572	A572-G574 PolarHBondContact O-N 2.78Å
575	H	28.1	Very low	37.1	Very low	169 Å²	169	106 Å²	106	78%	0.782	60%	0.596	S	S	*	*			trans	-95.6	141.3	-178.9	-75.5	82.8	0	0	0	113.9
576	T	28	Very low	36.9	Very low	131 Å²	131	107.1 Å²	107.1	80%	0.804	61%	0.606	S	S	*	*			trans	-70.2	150.7	-179.7	41.7	0	0	0	0	112.2	H578	T576-H578 PolarHBondContact O-N 2.99Å
577	P	35	Very low	36.7	Very low	117 Å²	117	106.2 Å²	106.2	76%	0.76	61%	0.606	S	S	*	*			trans	-75	99.9	-167.6	28.8	-35.9	0	0	0	113.2	R579	P577-R579 WeakPolarHBondContact O-CB 3.33Å; P577-R579 PolarHBondContact O-N 2.73Å
578	H	39.3	Very low	36.2	Very low	176 Å²	176	102.8 Å²	102.8	82%	0.815	59%	0.592	S	S	*	*			trans	46.3	8	141.3	-124	-68.7	0	0	0	121.4	T576 Q580	T576-H578 PolarHBondContact O-N 2.99Å; H578-Q580 PolarHBondContact O-N 2.88Å
579	R	35.2	Very low	36.3	Very low	242 Å²	242	102.9 Å²	102.9	91%	0.913	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	13.3	-160.7	-144.4	179.9	-174.4	-178.8	2.4	116.4	P577	P577-R579 WeakPolarHBondContact O-CB 3.33Å; P577-R579 PolarHBondContact O-N 2.73Å
580	Q	33.7	Very low	36.8	Very low	194 Å²	194	102.7 Å²	102.7	91%	0.907	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-138.1	45.4	-177.3	-71.1	-172.8	-38	0	0	112.8	H578	H578-Q580 PolarHBondContact O-N 2.88Å
581	A	34.3	Very low	37.3	Very low	37 Å²	37	106.8 Å²	106.8	31%	0.306	60%	0.596	S	S	.	*			trans	-80.5	118.3	153.7	0	0	0	0	0	108.4	I583	A581-I583 PolarHBondContact O-N 3.29Å; A581-I583 VanDerWaalsContact O-N 3.16Å
582	S	33.3	Very low	38.1	Very low	93 Å²	93	103.8 Å²	103.8	65%	0.65	57%	0.574	S	S	*	*			trans	-77.2	96.2	177	37.6	0	0	0	0	110.6	S584	S582-S584 PolarHBondContact O-N 3.41Å
583	I	44.5	Very low	38.9	Very low	22 Å²	22	107.6 Å²	107.6	11%	0.113	58%	0.579	C	S	.	*			trans	-87.5	103.8	-177.6	-53.2	177.8	0	0	0	109.5	A581 I585 V596 D597 F670 E671	A581-I583 PolarHBondContact O-N 3.29Å; A581-I583 VanDerWaalsContact O-N 3.16Å; I583-I585 VanDerWaalsContact C-N 3.32Å; I583-I585 HydrophobicContact CB-CG1 4.42Å; I583-I585 HydrophobicContact CG2-CD1 4.46Å; I583-I585 HydrophobicContact CG2-CG1 3.7Å; I583-I585 PolarHBondContact O-N 3.39Å; I583-V596 WeakPolarHBondContact CD1-O 3.36Å; I583-D597 HydrophobicContact CD1-CB 4.49Å; I583-F670 HydrophobicContact CG2-CD1 4.44Å; I583-E671 WeakPolarHBondContact CA-O 3.16Å; I583-E671 WeakPolarHBondContact CG2-O 3.5Å
584	S	41.4	Very low	39.8	Very low	59 Å²	59	106 Å²	106	41%	0.413	57%	0.571	S	S	.	*			trans	-74.8	79.5	173.1	34.9	0	0	0	0	111.4	S582 S586 E671	S582-S584 PolarHBondContact O-N 3.41Å; S584-S586 PolarHBondContact O-N 3.21Å; S584-E671 WeakPolarHBondContact OG-CG 3.28Å; S584-E671 PolarHBondContact OG-OE2 2.83Å
585	I	50.4	Low	40.9	Very low	34 Å²	34	106.9 Å²	106.9	17%	0.174	56%	0.557	C	S	.	*			trans	-73.8	119.3	175.3	-41.7	-178.2	0	0	0	109.4	I583 V587 I592 Q593 V596 M669	I583-I585 VanDerWaalsContact C-N 3.32Å; I583-I585 HydrophobicContact CB-CG1 4.42Å; I583-I585 HydrophobicContact CG2-CD1 4.46Å; I583-I585 HydrophobicContact CG2-CG1 3.7Å; I583-I585 PolarHBondContact O-N 3.39Å; I585-V587 HydrophobicContact CB-CG2 4.41Å; I585-V587 HydrophobicContact CG2-CG2 3.37Å; I585-I592 HydrophobicContact CD1-CG2 3.78Å; I585-Q593 WeakPolarHBondContact CD1-O 3.47Å; I585-V596 HydrophobicContact CD1-CB 4.29Å; I585-M669 WeakPolarHBondContact CG2-O 3.37Å
586	S	45.8	Very low	42.7	Very low	42 Å²	42	100.3 Å²	100.3	29%	0.294	53%	0.529	S	S	.	.	B	Isolated β-bridge	trans	-111.5	110.2	165.3	67.1	0	0	0	0	109.3	S584 Q656	S584-S586 PolarHBondContact O-N 3.21Å; S586-Q656 PolarHBondContact O-NE2 2.7Å; S586-Q656 PolarHBondContact OG-NE2 3.09Å
587	V	46.8	Very low	44.9	Very low	47 Å²	47	96.2 Å²	96.2	29%	0.285	50%	0.502	S	S	.	.			trans	-108.6	126.8	-172.1	-156.8	0	0	0	0	111.5	I585 N589 S590 I592 C668	I585-V587 HydrophobicContact CB-CG2 4.41Å; I585-V587 HydrophobicContact CG2-CG2 3.37Å; V587-N589 PolarHBondContact O-N 3.2Å; V587-S590 WeakPolarHBondContact CG1-O 3.33Å; V587-I592 HydrophobicContact CG2-CB 4.47Å; V587-C668 HydrophobicContact CG1-CB 4.11Å
588	S	39.8	Very low	47.1	Very low	22 Å²	22	90.8 Å²	90.8	15%	0.154	47%	0.467	C	S	.	.	S	Bend	trans	-78.8	107.6	155.2	34.9	0	0	0	0	109.5	S590 L666	S588-S590 PolarHBondContact O-N 2.73Å; S588-L666 PolarHBondContact OG-O 3.46Å
589	N	40.5	Very low	49	Very low	127 Å²	127	82.5 Å²	82.5	68%	0.679	43%	0.428	S	S	*	.	S	Bend	trans	71.3	-6.7	168.1	-76.1	13.9	0	0	0	121.4	V587 R659	V587-N589 PolarHBondContact O-N 3.2Å; N589-R659 VanDerWaalsContact CG-NH2 3.32Å; N589-R659 PolarHBondContact ND2-NH1 2.9Å; N589-R659 PolarHBondContact ND2-NH2 3.49Å; N589-R659 PolarHBondContact OD1-NH2 2.68Å
590	S	41.1	Very low	51.1	Low	62 Å²	62	74.5 Å²	74.5	43%	0.434	41%	0.406	S	S	.	.			trans	-104.6	134.9	178.6	-86	0	0	0	0	114.2	V587 S588 I592	V587-S590 WeakPolarHBondContact CG1-O 3.33Å; S588-S590 PolarHBondContact O-N 2.73Å; S590-I592 PolarHBondContact O-N 2.8Å
591	Q	40.6	Very low	53.4	Low	206 Å²	206	66.4 Å²	66.4	96%	0.963	37%	0.37	S	S	*	.			trans	-78.2	61.3	177.7	-65.8	179.6	-12.5	0	0	112.2
592	I	49.7	Very low	55.9	Low	40 Å²	40	64.8 Å²	64.8	21%	0.205	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-86.1	126.7	173	-58.2	173.9	0	0	0	108	I585 V587 S590 V596 C668 F670	I585-I592 HydrophobicContact CD1-CG2 3.78Å; V587-I592 HydrophobicContact CG2-CB 4.47Å; S590-I592 PolarHBondContact O-N 2.8Å; I592-V596 HydrophobicContact CG2-CB 3.8Å; I592-V596 HydrophobicContact CG2-CG1 4.11Å; I592-V596 HydrophobicContact CG2-CG2 4.05Å; I592-C668 HydrophobicContact CD1-CB 4.29Å; I592-F670 HydrophobicContact CD1-CZ 4.34Å
593	Q	45.2	Very low	58.5	Low	157 Å²	157	60.7 Å²	60.7	73%	0.734	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-63.8	146.2	177.1	-71.7	177.6	-33.8	0	0	111.2	I585 V596	I585-Q593 WeakPolarHBondContact CD1-O 3.47Å; Q593-V596 HydrophobicContact CB-CG2 4.08Å; Q593-V596 VanDerWaalsContact O-CG2 3.27Å; Q593-V596 WeakPolarHBondContact O-CG2 3.42Å; Q593-V596 PolarHBondContact O-N 2.63Å
594	E	49.4	Very low	60.5	Low	169 Å²	169	60.2 Å²	60.2	79%	0.79	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	140	173	-60.7	-178.9	162.6	0	0	110.8
595	N	56.9	Low	62.4	Low	98 Å²	98	58.5 Å²	58.5	52%	0.524	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	25	-178.4	-42.9	-78.3	0	0	0	116.3
596	V	65.8	Low	63.4	Low	31 Å²	31	58.8 Å²	58.8	19%	0.188	32%	0.317	C	S	.	.			trans	-79.6	123.3	166.5	171.9	0	0	0	0	111.3	I583 I585 I592 Q593 V601	I583-V596 WeakPolarHBondContact CD1-O 3.36Å; I585-V596 HydrophobicContact CD1-CB 4.29Å; I592-V596 HydrophobicContact CG2-CB 3.8Å; I592-V596 HydrophobicContact CG2-CG1 4.11Å; I592-V596 HydrophobicContact CG2-CG2 4.05Å; Q593-V596 HydrophobicContact CB-CG2 4.08Å; Q593-V596 VanDerWaalsContact O-CG2 3.27Å; Q593-V596 WeakPolarHBondContact O-CG2 3.42Å; Q593-V596 PolarHBondContact O-N 2.63Å; V596-V601 HydrophobicContact CG1-CG2 3.46Å; V596-V601 VanDerWaalsContact CG1-CG2 3.46Å
597	D	73.9	Confident	64.6	Low	46 Å²	46	61.6 Å²	61.6	25%	0.246	33%	0.329	C	S	.	.			trans	-69.5	131.3	172	161	35.5	0	0	0	111.7	M562 I583 G599 T600	M562-D597 VanDerWaalsContact CE-OD2 3.27Å; M562-D597 WeakPolarHBondContact CE-OD2 2.99Å; I583-D597 HydrophobicContact CD1-CB 4.49Å; D597-G599 PolarHBondContact O-N 3.3Å; D597-G599 PolarHBondContact OD1-N 3.01Å; D597-T600 HydrophobicContact CB-CG2 4.22Å; D597-T600 WeakPolarHBondContact O-CB 3.49Å; D597-T600 PolarHBondContact O-N 3.39Å; D597-T600 PolarHBondContact O-OG1 3.44Å
598	I	82.1	Confident	66	Low	3 Å²	3	62.1 Å²	62.1	2%	0.015	33%	0.328	C	S	.	.	H	α-helix	trans	-52.7	-36.9	176.5	-171.7	170.9	0	0	0	112.7	F566 T600 V601 Y602 I604 V632 F670 F677 V679	F566-I598 HydrophobicContact CE2-CG2 3.98Å; F566-I598 HydrophobicContact CZ-CG2 4.23Å; I598-T600 PolarHBondContact O-N 3.41Å; I598-V601 PolarHBondContact O-N 2.9Å; I598-Y602 HydrophobicContact CG1-CD2 4.02Å; I598-Y602 PolarHBondContact O-N 3.31Å; I598-I604 HydrophobicContact CD1-CD1 4.2Å; I598-V632 HydrophobicContact CD1-CG1 4.35Å; I598-F670 HydrophobicContact CB-CB 4.25Å; I598-F670 HydrophobicContact CB-CD1 4Å; I598-F670 HydrophobicContact CB-CD2 3.87Å; I598-F670 HydrophobicContact CB-CE1 4.28Å; I598-F670 HydrophobicContact CB-CE2 4.15Å; I598-F670 HydrophobicContact CB-CG 3.79Å; I598-F670 HydrophobicContact CB-CZ 4.35Å; I598-F670 HydrophobicContact CD1-CB 4.48Å; I598-F670 HydrophobicContact CD1-CD2 3.65Å; I598-F670 HydrophobicContact CD1-CE2 4.12Å; I598-F670 HydrophobicContact CD1-CG 4.24Å; I598-F670 HydrophobicContact CG1-CD2 3.69Å; I598-F670 HydrophobicContact CG1-CE2 3.79Å; I598-F670 HydrophobicContact CG1-CG 4.15Å; I598-F670 HydrophobicContact CG1-CZ 4.33Å; I598-F677 HydrophobicContact CD1-CB 3.44Å; I598-F677 VanDerWaalsContact CD1-CB 3.44Å; I598-F677 HydrophobicContact CD1-CD1 3.71Å; I598-F677 HydrophobicContact CD1-CD2 4.48Å; I598-F677 HydrophobicContact CD1-CG 3.64Å; I598-V679 HydrophobicContact CD1-CG2 4.27Å
599	G	78.3	Confident	67.9	Low	1 Å²	1	64.7 Å²	64.7	1%	0.01	34%	0.343	C	S	.	.	H	α-helix	trans	-62.1	-21.6	179.6	0	0	0	0	0	114	D597 R624	D597-G599 PolarHBondContact O-N 3.3Å; D597-G599 PolarHBondContact OD1-N 3.01Å; G599-R624 PolarHBondContact O-NE 3.36Å; G599-R624 PolarHBondContact O-NH2 2.85Å
600	T	79	Confident	69.8	Low	74 Å²	74	62.6 Å²	62.6	45%	0.454	33%	0.331	S	S	.	.	H	α-helix	trans	-85.1	-21	175.9	70.8	0	0	0	0	113.9	D597 I598 R624	D597-T600 HydrophobicContact CB-CG2 4.22Å; D597-T600 WeakPolarHBondContact O-CB 3.49Å; D597-T600 PolarHBondContact O-N 3.39Å; D597-T600 PolarHBondContact O-OG1 3.44Å; I598-T600 PolarHBondContact O-N 3.41Å; T600-R624 VanDerWaalsContact O-CD 3.27Å; T600-R624 WeakPolarHBondContact O-CD 3.22Å
601	V	83	Confident	71.2	Confident	24 Å²	24	61 Å²	61	15%	0.145	32%	0.324	C	S	.	.	H	α-helix	trans	-104.1	-36.8	-176.8	-171.3	0	0	0	0	111.7	V596 I598 H623 R624 F670	V596-V601 HydrophobicContact CG1-CG2 3.46Å; V596-V601 VanDerWaalsContact CG1-CG2 3.46Å; I598-V601 PolarHBondContact O-N 2.9Å; V601-H623 PolarHBondContact O-ND1 2.82Å; V601-R624 WeakPolarHBondContact O-CB 3.38Å; V601-R624 PolarHBondContact O-N 3.27Å; V601-F670 HydrophobicContact CB-CZ 4.45Å; V601-F670 HydrophobicContact CG2-CZ 4.4Å
602	Y	87	Confident	72.4	Confident	4 Å²	4	53.3 Å²	53.3	2%	0.016	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	150	-177.2	-56.1	-88.2	0	0	0	111.1	I598 K622 H623 R624 V630 E667 C668 F670 V679	I598-Y602 HydrophobicContact CG1-CD2 4.02Å; I598-Y602 PolarHBondContact O-N 3.31Å; Y602-K622 CarbonylContact C-O 3.54Å; Y602-K622 VanDerWaalsContact CA-O 3.26Å; Y602-K622 WeakPolarHBondContact CA-O 3.48Å; Y602-H623 HydrophobicContact CD1-CB 3.72Å; Y602-H623 HydrophobicContact CE1-CB 3.58Å; Y602-H623 AromaticContact CE1-CD2 3.96Å; Y602-H623 AromaticContact CE1-CG 3.72Å; Y602-R624 PolarHBondContact O-NE 3.26Å; Y602-V630 HydrophobicContact CD1-CG1 4.39Å; Y602-V630 HydrophobicContact CD1-CG2 3.88Å; Y602-V630 HydrophobicContact CE1-CG1 4.14Å; Y602-V630 HydrophobicContact CE1-CG2 4.41Å; Y602-E667 PolarHBondContact OH-OE1 3.15Å; Y602-E667 VanDerWaalsContact OH-OE1 3.09Å; Y602-C668 PolarHBondContact OH-SG 2.85Å; Y602-F670 AromaticContact CD2-CE2 3.86Å; Y602-F670 HydrophobicContact CD2-CE2 3.86Å; Y602-F670 HydrophobicContact CD2-CZ 4.15Å; Y602-F670 AromaticContact CE2-CE2 3.55Å; Y602-F670 HydrophobicContact CE2-CE2 3.55Å; Y602-F670 AromaticContact CE2-CZ 3.79Å; Y602-F670 HydrophobicContact CE2-CZ 3.79Å; Y602-V679 HydrophobicContact CD1-CG1 4.18Å; Y602-V679 HydrophobicContact CD2-CG2 4.47Å; Y602-V679 HydrophobicContact CE1-CG1 3.73Å; Y602-V679 HydrophobicContact CE2-CG1 4.47Å; Y602-V679 HydrophobicContact CE2-CG2 4.33Å
603	Q	86.9	Confident	72.7	Confident	7 Å²	7	52.3 Å²	52.3	3%	0.033	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	133.3	159.6	-169.3	-177.8	6.7	0	0	108.7	C456 F605 G621 K622	C456-Q603 PolarHBondContact O-NE2 3.16Å; Q603-F605 HydrophobicContact CB-CE1 4.36Å; Q603-F605 HydrophobicContact CG-CD1 4.31Å; Q603-F605 HydrophobicContact CG-CE1 4.04Å; Q603-G621 CarbonylContact O-C 3.48Å; Q603-G621 WeakPolarHBondContact O-CA 3.35Å; Q603-K622 PolarHBondContact N-O 3.25Å; Q603-K622 PolarHBondContact O-N 3.06Å
604	I	85.9	Confident	73.1	Confident	11 Å²	11	45.8 Å²	45.8	6%	0.056	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.5	174.5	-53.7	179.3	0	0	0	108.4	P563 I598 A606 Y619 V632 V634 F677	P563-I604 HydrophobicContact CB-CB 4.25Å; P563-I604 HydrophobicContact CB-CD1 4.06Å; P563-I604 HydrophobicContact CB-CG1 4.41Å; P563-I604 HydrophobicContact CG-CB 4.27Å; P563-I604 HydrophobicContact CG-CD1 3.76Å; P563-I604 HydrophobicContact CG-CG1 3.99Å; I598-I604 HydrophobicContact CD1-CD1 4.2Å; I604-A606 PolarHBondContact O-N 3.01Å; I604-Y619 HydrophobicContact CG2-CD2 4.26Å; I604-Y619 HydrophobicContact CG2-CG 3.92Å; I604-V632 HydrophobicContact CD1-CB 4.35Å; I604-V632 HydrophobicContact CD1-CG1 3.87Å; I604-V632 HydrophobicContact CG1-CB 4.46Å; I604-V632 HydrophobicContact CG1-CG1 4.44Å; I604-V632 HydrophobicContact CG1-CG2 4.29Å; I604-V634 HydrophobicContact CD1-CG2 4.44Å; I604-F677 HydrophobicContact CD1-CD1 3.81Å; I604-F677 HydrophobicContact CD1-CE1 3.96Å
605	F	81.7	Confident	73.6	Confident	24 Å²	24	38 Å²	38	11%	0.105	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	96.6	178.8	-52.2	-48	0	0	0	109.7	Q603 D607 E608 G620 K622	Q603-F605 HydrophobicContact CB-CE1 4.36Å; Q603-F605 HydrophobicContact CG-CD1 4.31Å; Q603-F605 HydrophobicContact CG-CE1 4.04Å; F605-D607 PolarHBondContact O-N 2.84Å; F605-D607 VanDerWaalsContact O-N 3.11Å; F605-E608 HydrophobicContact CB-CB 3.79Å; F605-E608 PolarHBondContact O-N 2.94Å; F605-G620 WeakPolarHBondContact CB-O 3.44Å; F605-G620 PolarHBondContact N-O 3.02Å; F605-K622 HydrophobicContact CE2-CG 4.03Å; F605-K622 HydrophobicContact CZ-CB 4.17Å; F605-K622 HydrophobicContact CZ-CD 4.24Å; F605-K622 HydrophobicContact CZ-CG 3.95Å
606	A	71.1	Confident	74.3	Confident	40 Å²	40	33.6 Å²	33.6	33%	0.331	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.5	-18.3	-175.3	0	0	0	0	0	114.5	V564 I604 Y619	V564-A606 HydrophobicContact CB-CB 4.16Å; V564-A606 HydrophobicContact CG2-CB 4.19Å; I604-A606 PolarHBondContact O-N 3.01Å; A606-Y619 WeakPolarHBondContact O-CE1 3.44Å
607	D	71.1	Confident	74.9	Confident	101 Å²	101	32.2 Å²	32.2	54%	0.54	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	-9	174	72.1	-51	0	0	0	113.8	K457 F605 V609	K457-D607 VanDerWaalsContact CE-CG 3.47Å; K457-D607 WeakPolarHBondContact CE-OD1 3.27Å; K457-D607 WeakPolarHBondContact CE-OD2 3.29Å; K457-D607 IonicContact NZ-OD1 2.67Å; K457-D607 PolarHBondContact NZ-OD1 2.8Å; K457-D607 IonicContact NZ-OD2 3.31Å; K457-D607 PolarHBondContact NZ-OD2 2.56Å; F605-D607 PolarHBondContact O-N 2.84Å; F605-D607 VanDerWaalsContact O-N 3.11Å; D607-V609 PolarHBondContact O-N 2.68Å
608	E	77.7	Confident	75.4	Confident	57 Å²	57	31.5 Å²	31.5	27%	0.266	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	67	179.6	-160.3	-177.6	136.7	0	0	110.8	F605 L610 Y619 G620 K682	F605-E608 HydrophobicContact CB-CB 3.79Å; F605-E608 PolarHBondContact O-N 2.94Å; E608-L610 HydrophobicContact CG-CD2 4.3Å; E608-L610 PolarHBondContact O-N 2.73Å; E608-Y619 CarbonylContact O-C 3.59Å; E608-Y619 WeakPolarHBondContact O-CA 3.39Å; E608-G620 PolarHBondContact O-N 3.26Å; E608-K682 WeakPolarHBondContact OE1-CE 3.36Å; E608-K682 IonicContact OE1-NZ 2.79Å; E608-K682 PolarHBondContact OE1-NZ 2.87Å
609	V	79.3	Confident	75.6	Confident	76 Å²	76	32.2 Å²	32.2	46%	0.461	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	112.9	173.5	173.6	0	0	0	0	109.6	D607 V617 Y619	D607-V609 PolarHBondContact O-N 2.68Å; V609-V617 HydrophobicContact CB-CG1 4.49Å; V609-V617 HydrophobicContact CG1-CG1 3.86Å; V609-V617 HydrophobicContact CG2-CG1 4.01Å; V609-Y619 HydrophobicContact CG2-CD1 3.96Å; V609-Y619 HydrophobicContact CG2-CE1 3.65Å
610	L	80.8	Confident	76.2	Confident	83 Å²	83	32.1 Å²	32.1	44%	0.435	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	-29.8	175.1	-57.1	178.7	0	0	0	111.9	E608 V618 A631 K682	E608-L610 HydrophobicContact CG-CD2 4.3Å; E608-L610 PolarHBondContact O-N 2.73Å; L610-V618 HydrophobicContact CB-CB 4.47Å; L610-V618 HydrophobicContact CB-CG1 4.3Å; L610-V618 HydrophobicContact CD1-CG1 4.46Å; L610-V618 PolarHBondContact N-O 3.25Å; L610-A631 HydrophobicContact CD1-CB 3.99Å; L610-K682 HydrophobicContact CD1-CG 4.22Å
611	G	70.6	Confident	76.8	Confident	28 Å²	28	28.6 Å²	28.6	29%	0.289	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	168.7	178.2	0	0	0	0	0	114.2	V618	G611-V618 PolarHBondContact N-O 3.14Å; G611-V618 PolarHBondContact O-N 2.81Å
612	S	64.5	Low	77.1	Confident	45 Å²	45	30 Å²	30	32%	0.315	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	102.7	175.2	69.7	0	0	0	0	111.1	R206	R206-S612 PolarHBondContact N-OG 3.41Å
613	G	56.3	Low	77.2	Confident	20 Å²	20	31 Å²	31	21%	0.206	18%	0.182	C	C	.	.			trans	-81.5	-167.9	-178.8	0	0	0	0	0	113.1	G616	G613-G616 PolarHBondContact N-O 3.36Å
614	Q	54.1	Low	77	Confident	20 Å²	20	31.4 Å²	31.4	9%	0.093	18%	0.183	C	C	.	.	S	Bend	trans	-69.1	-37.2	176.7	-170.2	-178.9	-100.7	0	0	112.5	V170 R191 F751	V170-Q614 HydrophobicContact CB-CG 4.29Å; V170-Q614 HydrophobicContact CG1-CG 4.05Å; V170-Q614 HydrophobicContact CG2-CG 3.47Å; V170-Q614 VanDerWaalsContact CG2-CG 3.47Å; R191-Q614 VanDerWaalsContact CD-OE1 3.26Å; Q614-F751 HydrophobicContact CB-CZ 4.35Å
615	F	59.9	Low	76.9	Confident	6 Å²	6	39.2 Å²	39.2	3%	0.026	22%	0.217	C	C	.	.	S	Bend	trans	-103.8	-10	-168.6	-53.3	-77.8	0	0	0	114	I635 F640 Q644	F615-I635 HydrophobicContact CB-CD1 4.14Å; F615-I635 HydrophobicContact CB-CG1 4.23Å; F615-I635 WeakPolarHBondContact O-CG1 3.33Å; F615-I635 WeakPolarHBondContact O-CG2 3.32Å; F615-F640 WeakPolarHBondContact O-CD2 3.25Å; F615-F640 VanDerWaalsContact O-CE2 3.26Å; F615-F640 WeakPolarHBondContact O-CE2 3.37Å; F615-Q644 HydrophobicContact CD1-CB 4.34Å; F615-Q644 HydrophobicContact CE1-CB 4.24Å; F615-Q644 HydrophobicContact CE1-CG 4.44Å
616	G	71.4	Confident	77.2	Confident	5 Å²	5	41.5 Å²	41.5	5%	0.052	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.6	176.8	-168.3	0	0	0	0	0	114.4	G613 V634	G613-G616 PolarHBondContact N-O 3.36Å; G616-V634 CarbonylContact C-O 3.55Å; G616-V634 WeakPolarHBondContact CA-O 3.35Å
617	V	77.3	Confident	77.8	Confident	2 Å²	2	41.5 Å²	41.5	1%	0.012	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	140.3	174.9	165.1	0	0	0	0	109.8	F209 V609 Y619 V634	F209-V617 HydrophobicContact CD2-CB 3.91Å; F209-V617 HydrophobicContact CD2-CG2 3.4Å; F209-V617 HydrophobicContact CE2-CB 3.85Å; F209-V617 HydrophobicContact CE2-CG2 3.56Å; F209-V617 HydrophobicContact CG-CG2 4.43Å; V609-V617 HydrophobicContact CB-CG1 4.49Å; V609-V617 HydrophobicContact CG1-CG1 3.86Å; V609-V617 HydrophobicContact CG2-CG1 4.01Å; V617-Y619 HydrophobicContact CB-CE2 3.86Å; V617-Y619 HydrophobicContact CG1-CD1 4.28Å; V617-Y619 HydrophobicContact CG1-CD2 3.9Å; V617-Y619 HydrophobicContact CG1-CE1 3.89Å; V617-Y619 HydrophobicContact CG1-CE2 3.46Å; V617-Y619 VanDerWaalsContact CG1-CE2 3.46Å; V617-Y619 HydrophobicContact CG1-CG 4.3Å; V617-Y619 VanDerWaalsContact CG1-CZ 3.45Å; V617-V634 PolarHBondContact N-O 3.45Å; V617-V634 VanDerWaalsContact N-O 3.09Å; V617-V634 PolarHBondContact O-N 3.01Å
618	V	85.6	Confident	78.8	Confident	30 Å²	30	41.8 Å²	41.8	18%	0.182	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.3	174.7	-169.4	0	0	0	0	108.4	L610 G611 A631 V632 K633	L610-V618 HydrophobicContact CB-CB 4.47Å; L610-V618 HydrophobicContact CB-CG1 4.3Å; L610-V618 HydrophobicContact CD1-CG1 4.46Å; L610-V618 PolarHBondContact N-O 3.25Å; G611-V618 PolarHBondContact N-O 3.14Å; G611-V618 PolarHBondContact O-N 2.81Å; V618-A631 HydrophobicContact CG1-CB 4.03Å; V618-V632 WeakPolarHBondContact CA-O 3.41Å; V618-K633 HydrophobicContact CG2-CB 4.01Å; V618-K633 HydrophobicContact CG2-CG 4.19Å
619	Y	87.3	Confident	79.5	Confident	18 Å²	18	42.3 Å²	42.3	7%	0.071	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	150	177.6	-64.3	-86.8	0	0	0	110.9	I565 I604 A606 E608 V609 V617 V632 V634	I565-Y619 HydrophobicContact CD1-CD2 4.12Å; I565-Y619 HydrophobicContact CD1-CE2 3.69Å; I604-Y619 HydrophobicContact CG2-CD2 4.26Å; I604-Y619 HydrophobicContact CG2-CG 3.92Å; A606-Y619 WeakPolarHBondContact O-CE1 3.44Å; E608-Y619 CarbonylContact O-C 3.59Å; E608-Y619 WeakPolarHBondContact O-CA 3.39Å; V609-Y619 HydrophobicContact CG2-CD1 3.96Å; V609-Y619 HydrophobicContact CG2-CE1 3.65Å; V617-Y619 HydrophobicContact CB-CE2 3.86Å; V617-Y619 HydrophobicContact CG1-CD1 4.28Å; V617-Y619 HydrophobicContact CG1-CD2 3.9Å; V617-Y619 HydrophobicContact CG1-CE1 3.89Å; V617-Y619 HydrophobicContact CG1-CE2 3.46Å; V617-Y619 VanDerWaalsContact CG1-CE2 3.46Å; V617-Y619 HydrophobicContact CG1-CG 4.3Å; V617-Y619 VanDerWaalsContact CG1-CZ 3.45Å; Y619-V632 PolarHBondContact N-O 3.23Å; Y619-V632 PolarHBondContact O-N 2.89Å; Y619-V634 HydrophobicContact CD2-CB 4.37Å; Y619-V634 HydrophobicContact CD2-CG2 3.85Å; Y619-V634 HydrophobicContact CE2-CB 4.28Å; Y619-V634 HydrophobicContact CE2-CG2 4.2Å
620	G	89.5	Confident	80.2	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	150	162.2	0	0	0	0	0	110.7	F605 E608	F605-G620 WeakPolarHBondContact CB-O 3.44Å; F605-G620 PolarHBondContact N-O 3.02Å; E608-G620 PolarHBondContact O-N 3.26Å
621	G	90.9	Very high	80.8	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	179.1	175.7	0	0	0	0	0	112.3	Q603 D629 V630	Q603-G621 CarbonylContact O-C 3.48Å; Q603-G621 WeakPolarHBondContact O-CA 3.35Å; G621-D629 WeakPolarHBondContact O-CA 3.5Å; G621-V630 PolarHBondContact N-O 3.18Å; G621-V630 PolarHBondContact O-N 2.89Å
622	K	89.9	Confident	81.7	Confident	52 Å²	52	33.9 Å²	33.9	23%	0.226	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.3	172	-79.3	-172.2	175	-104.9	0	112.2	Y602 Q603 F605 R624 G627 R628 D629	Y602-K622 CarbonylContact C-O 3.54Å; Y602-K622 VanDerWaalsContact CA-O 3.26Å; Y602-K622 WeakPolarHBondContact CA-O 3.48Å; Q603-K622 PolarHBondContact N-O 3.25Å; Q603-K622 PolarHBondContact O-N 3.06Å; F605-K622 HydrophobicContact CE2-CG 4.03Å; F605-K622 HydrophobicContact CZ-CB 4.17Å; F605-K622 HydrophobicContact CZ-CD 4.24Å; F605-K622 HydrophobicContact CZ-CG 3.95Å; K622-R624 PolarHBondContact O-N 3.11Å; K622-G627 PolarHBondContact NZ-O 2.96Å; K622-R628 CarbonylContact C-O 3.16Å; K622-R628 VanDerWaalsContact CA-O 3.27Å; K622-R628 WeakPolarHBondContact CA-O 3.49Å; K622-D629 WeakPolarHBondContact CE-OD1 3.01Å; K622-D629 WeakPolarHBondContact CE-OD2 3.23Å; K622-D629 IonicContact NZ-OD1 2.67Å; K622-D629 IonicContact NZ-OD2 3.27Å; K622-D629 PolarHBondContact NZ-OD2 2.82Å
623	H	88.9	Confident	82.8	Confident	27 Å²	27	32.1 Å²	32.1	13%	0.125	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	115.8	163.9	-174.9	-9.3	0	0	0	109.2	V601 Y602 K625 T626 G627 R628 E667	V601-H623 PolarHBondContact O-ND1 2.82Å; Y602-H623 HydrophobicContact CD1-CB 3.72Å; Y602-H623 HydrophobicContact CE1-CB 3.58Å; Y602-H623 AromaticContact CE1-CD2 3.96Å; Y602-H623 AromaticContact CE1-CG 3.72Å; H623-K625 PolarHBondContact ND1-N 3.14Å; H623-K625 PolarHBondContact O-N 2.93Å; H623-T626 PolarHBondContact O-N 3.35Å; H623-G627 WeakPolarHBondContact O-CA 3.42Å; H623-G627 PolarHBondContact O-N 2.99Å; H623-R628 PolarHBondContact N-O 2.83Å; H623-E667 IonicContact CD2-OE1 2.61Å
624	R	84.4	Confident	84.1	Confident	14 Å²	14	31.1 Å²	31.1	5%	0.053	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-52.4	-173.1	-64.6	171.9	171.6	-69.8	-2.7	113.2	L476 S477 I479 L480 L561 G599 T600 V601 Y602 K622 T626	L476-R624 PolarHBondContact O-NH1 2.94Å; S477-R624 WeakPolarHBondContact O-CA 3.27Å; I479-R624 PolarHBondContact O-NH1 2.84Å; L480-R624 HydrophobicContact CD2-CB 4.03Å; L480-R624 WeakPolarHBondContact CD2-O 3.36Å; L561-R624 VanDerWaalsContact CD2-NH1 3.33Å; L561-R624 PolarHBondContact O-NH2 2.89Å; G599-R624 PolarHBondContact O-NE 3.36Å; G599-R624 PolarHBondContact O-NH2 2.85Å; T600-R624 VanDerWaalsContact O-CD 3.27Å; T600-R624 WeakPolarHBondContact O-CD 3.22Å; V601-R624 WeakPolarHBondContact O-CB 3.38Å; V601-R624 PolarHBondContact O-N 3.27Å; Y602-R624 PolarHBondContact O-NE 3.26Å; K622-R624 PolarHBondContact O-N 3.11Å; R624-T626 PolarHBondContact O-N 3.05Å
625	K	83.2	Confident	85.2	Confident	176 Å²	176	30.8 Å²	30.8	77%	0.765	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-33.3	-176.7	-170.7	179.2	179.3	-178.6	0	114.1	H623	H623-K625 PolarHBondContact ND1-N 3.14Å; H623-K625 PolarHBondContact O-N 2.93Å
626	T	87	Confident	85.8	Confident	72 Å²	72	30.8 Å²	30.8	44%	0.442	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-6.2	-173.2	65.9	0	0	0	0	114.2	H623 R624 R628	H623-T626 PolarHBondContact O-N 3.35Å; R624-T626 PolarHBondContact O-N 3.05Å; T626-R628 PolarHBondContact O-N 2.9Å; T626-R628 PolarHBondContact OG1-NE 3.01Å
627	G	84.1	Confident	85.9	Confident	39 Å²	39	33.4 Å²	33.4	40%	0.402	17%	0.167	S	C	.	.			trans	67.4	-6.4	-177.1	0	0	0	0	0	115.5	K622 H623	K622-G627 PolarHBondContact NZ-O 2.96Å; H623-G627 WeakPolarHBondContact O-CA 3.42Å; H623-G627 PolarHBondContact O-N 2.99Å
628	R	91.3	Very high	85.5	Confident	107 Å²	107	38.3 Å²	38.3	40%	0.404	19%	0.193	S	C	.	.			trans	-63.6	137.7	-177.9	-69.2	-172.4	-62.4	112.7	1.6	111.5	K622 H623 T626 E667	K622-R628 CarbonylContact C-O 3.16Å; K622-R628 VanDerWaalsContact CA-O 3.27Å; K622-R628 WeakPolarHBondContact CA-O 3.49Å; H623-R628 PolarHBondContact N-O 2.83Å; T626-R628 PolarHBondContact O-N 2.9Å; T626-R628 PolarHBondContact OG1-NE 3.01Å; R628-E667 IonicContact CZ-OE1 2.84Å; R628-E667 IonicContact CZ-OE2 2.68Å; R628-E667 IonicContact NH1-OE1 3.83Å; R628-E667 IonicContact NH1-OE2 3.98Å; R628-E667 PolarHBondContact NH1-OE2 2.91Å; R628-E667 IonicContact NH2-OE1 2.88Å; R628-E667 PolarHBondContact NH2-OE1 3.02Å; R628-E667 IonicContact NH2-OE2 3.77Å; R628-E667 PolarHBondContact NH2-OE2 2.71Å; R628-E667 VanDerWaalsContact NH2-OE2 3.12Å
629	D	92.9	Very high	84.4	Confident	69 Å²	69	37.9 Å²	37.9	37%	0.369	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	139.3	170	-71.5	-87.9	0	0	0	111.2	G621 K622 K682	G621-D629 WeakPolarHBondContact O-CA 3.5Å; K622-D629 WeakPolarHBondContact CE-OD1 3.01Å; K622-D629 WeakPolarHBondContact CE-OD2 3.23Å; K622-D629 IonicContact NZ-OD1 2.67Å; K622-D629 IonicContact NZ-OD2 3.27Å; K622-D629 PolarHBondContact NZ-OD2 2.82Å; D629-K682 HydrophobicContact CB-CB 4.22Å; D629-K682 HydrophobicContact CB-CD 3.74Å; D629-K682 IonicContact OD1-NZ 2.71Å
630	V	94	Very high	83.2	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	158.2	179.7	-66.5	0	0	0	0	111	Y602 G621 V632 V679 M680	Y602-V630 HydrophobicContact CD1-CG1 4.39Å; Y602-V630 HydrophobicContact CD1-CG2 3.88Å; Y602-V630 HydrophobicContact CE1-CG1 4.14Å; Y602-V630 HydrophobicContact CE1-CG2 4.41Å; G621-V630 PolarHBondContact N-O 3.18Å; G621-V630 PolarHBondContact O-N 2.89Å; V630-V632 HydrophobicContact CG2-CG2 4.02Å; V630-V679 HydrophobicContact CB-CG1 4.03Å; V630-V679 HydrophobicContact CG1-CG1 4.16Å; V630-V679 HydrophobicContact CG2-CG1 4.26Å; V630-M680 WeakPolarHBondContact CA-O 3.41Å; V630-M680 WeakPolarHBondContact CB-O 3.4Å
631	A	93.4	Very high	81.5	Confident	9 Å²	9	40.5 Å²	40.5	7%	0.074	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	127.2	168.7	0	0	0	0	0	109.2	L610 V618 M680	L610-A631 HydrophobicContact CD1-CB 3.99Å; V618-A631 HydrophobicContact CG1-CB 4.03Å; A631-M680 PolarHBondContact N-O 3.27Å; A631-M680 PolarHBondContact O-N 2.88Å
632	V	90.6	Very high	79.6	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	107.6	-177.4	-169.7	0	0	0	0	109.8	I598 I604 V618 Y619 V630 V634 F677 V678 V679	I598-V632 HydrophobicContact CD1-CG1 4.35Å; I604-V632 HydrophobicContact CD1-CB 4.35Å; I604-V632 HydrophobicContact CD1-CG1 3.87Å; I604-V632 HydrophobicContact CG1-CB 4.46Å; I604-V632 HydrophobicContact CG1-CG1 4.44Å; I604-V632 HydrophobicContact CG1-CG2 4.29Å; V618-V632 WeakPolarHBondContact CA-O 3.41Å; Y619-V632 PolarHBondContact N-O 3.23Å; Y619-V632 PolarHBondContact O-N 2.89Å; V630-V632 HydrophobicContact CG2-CG2 4.02Å; V632-V634 HydrophobicContact CG1-CG2 3.97Å; V632-F677 HydrophobicContact CG1-CB 4.17Å; V632-F677 HydrophobicContact CG1-CD1 4.21Å; V632-V678 WeakPolarHBondContact CA-O 3.43Å; V632-V679 HydrophobicContact CG1-CG2 4.26Å; V632-V679 HydrophobicContact CG2-CG1 4.44Å; V632-V679 HydrophobicContact CG2-CG2 4.31Å
633	K	86.5	Confident	77.8	Confident	8 Å²	8	52.7 Å²	52.7	4%	0.035	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	111.2	174.7	176.4	173.8	169.2	-179.1	0	108.4	V618 I635 E651 V678 M680 D748	V618-K633 HydrophobicContact CG2-CB 4.01Å; V618-K633 HydrophobicContact CG2-CG 4.19Å; K633-I635 HydrophobicContact CG-CG1 4.49Å; K633-E651 IonicContact NZ-OE1 3.69Å; K633-E651 PolarHBondContact NZ-OE1 3.21Å; K633-E651 IonicContact NZ-OE2 2.73Å; K633-E651 PolarHBondContact NZ-OE2 3.2Å; K633-V678 HydrophobicContact CB-CB 4.28Å; K633-V678 PolarHBondContact N-O 3.43Å; K633-V678 PolarHBondContact O-N 3.27Å; K633-M680 HydrophobicContact CB-CE 3.75Å; K633-M680 HydrophobicContact CD-CE 4.48Å; K633-D748 IonicContact NZ-OD1 3.17Å; K633-D748 PolarHBondContact NZ-OD1 3.14Å
634	V	84.1	Confident	76.1	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	125.6	-175.3	-171.8	0	0	0	0	110.6	I565 I604 G616 V617 Y619 V632 V676 F677	I565-V634 HydrophobicContact CD1-CB 4.33Å; I565-V634 HydrophobicContact CD1-CG1 4.07Å; I565-V634 HydrophobicContact CD1-CG2 3.99Å; I565-V634 HydrophobicContact CG2-CG1 4.18Å; I604-V634 HydrophobicContact CD1-CG2 4.44Å; G616-V634 CarbonylContact C-O 3.55Å; G616-V634 WeakPolarHBondContact CA-O 3.35Å; V617-V634 PolarHBondContact N-O 3.45Å; V617-V634 VanDerWaalsContact N-O 3.09Å; V617-V634 PolarHBondContact O-N 3.01Å; Y619-V634 HydrophobicContact CD2-CB 4.37Å; Y619-V634 HydrophobicContact CD2-CG2 3.85Å; Y619-V634 HydrophobicContact CE2-CB 4.28Å; Y619-V634 HydrophobicContact CE2-CG2 4.2Å; V632-V634 HydrophobicContact CG1-CG2 3.97Å; V634-V676 WeakPolarHBondContact CA-O 3.34Å; V634-F677 HydrophobicContact CB-CD1 4.33Å; V634-F677 HydrophobicContact CB-CE1 4.4Å; V634-F677 HydrophobicContact CG1-CD1 3.9Å; V634-F677 HydrophobicContact CG1-CE1 3.59Å; V634-F677 HydrophobicContact CG1-CZ 4.08Å; V634-F677 HydrophobicContact CG2-CD1 3.64Å; V634-F677 HydrophobicContact CG2-CE1 3.9Å
635	I	76.4	Confident	74.8	Confident	12 Å²	12	56.2 Å²	56.2	6%	0.062	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	137.3	-172.6	-63.2	172	0	0	0	108.8	F615 K633 L648 K675 V676	F615-I635 HydrophobicContact CB-CD1 4.14Å; F615-I635 HydrophobicContact CB-CG1 4.23Å; F615-I635 WeakPolarHBondContact O-CG1 3.33Å; F615-I635 WeakPolarHBondContact O-CG2 3.32Å; K633-I635 HydrophobicContact CG-CG1 4.49Å; I635-L648 HydrophobicContact CB-CD2 4.45Å; I635-L648 HydrophobicContact CD1-CD1 3.41Å; I635-L648 VanDerWaalsContact CD1-CD1 3.41Å; I635-L648 HydrophobicContact CD1-CD2 3.68Å; I635-L648 HydrophobicContact CD1-CG 4.16Å; I635-L648 HydrophobicContact CG2-CD2 4.08Å; I635-K675 CarbonylContact O-C 3.42Å; I635-K675 WeakPolarHBondContact O-CA 3.41Å; I635-K675 WeakPolarHBondContact O-CB 3.38Å; I635-V676 HydrophobicContact CB-CB 4.36Å; I635-V676 PolarHBondContact N-O 3.2Å; I635-V676 PolarHBondContact O-N 2.89Å
636	D	74.1	Confident	73.7	Confident	7 Å²	7	51.7 Å²	51.7	4%	0.037	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	112.7	-176.8	-171.1	-57.2	0	0	0	111	F209 L638 R639 F640 K675	F209-D636 HydrophobicContact CE1-CB 4.18Å; F209-D636 HydrophobicContact CZ-CB 4.49Å; D636-L638 PolarHBondContact OD1-N 3.17Å; D636-R639 HydrophobicContact CB-CB 4.15Å; D636-R639 HydrophobicContact CB-CG 4.47Å; D636-R639 WeakPolarHBondContact OD1-CB 3.42Å; D636-R639 WeakPolarHBondContact OD1-CG 3.38Å; D636-R639 PolarHBondContact OD1-N 3.24Å; D636-F640 VanDerWaalsContact O-CD2 3.28Å; D636-F640 WeakPolarHBondContact O-CD2 3.44Å; D636-F640 PolarHBondContact O-N 2.76Å; D636-F640 VanDerWaalsContact O-N 3.17Å; D636-K675 WeakPolarHBondContact OD2-CE 3.48Å
637	K	73	Confident	72.5	Confident	59 Å²	59	51.1 Å²	51.1	26%	0.257	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-32.6	-176.1	-63.3	173.5	164.2	-175	0	112.4	E671 T672 P673 E674 V676	K637-E671 VanDerWaalsContact CE-OE1 3.31Å; K637-E671 WeakPolarHBondContact CE-OE1 3.37Å; K637-E671 VanDerWaalsContact NZ-CG 3.29Å; K637-E671 IonicContact NZ-OE1 2.73Å; K637-E671 PolarHBondContact NZ-OE1 3.22Å; K637-T672 WeakPolarHBondContact CE-O 3.5Å; K637-T672 PolarHBondContact NZ-O 3.45Å; K637-P673 WeakPolarHBondContact CD-O 3.44Å; K637-E674 VanDerWaalsContact CB-O 3.22Å; K637-E674 WeakPolarHBondContact CB-O 3.48Å; K637-E674 WeakPolarHBondContact CG-O 3.33Å; K637-E674 PolarHBondContact N-O 3.49Å; K637-V676 HydrophobicContact CD-CG2 4.42Å; K637-V676 VanDerWaalsContact CE-CG2 3.46Å; K637-V676 HydrophobicContact CG-CG2 4.36Å
638	L	68	Low	71.6	Confident	105 Å²	105	50.1 Å²	50.1	55%	0.55	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-34.5	-178.5	-58.3	178.4	0	0	0	111.1	D636 E674	D636-L638 PolarHBondContact OD1-N 3.17Å; L638-E674 HydrophobicContact CD1-CB 4.22Å; L638-E674 HydrophobicContact CD1-CG 4.46Å; L638-E674 HydrophobicContact CG-CB 4.42Å
639	R	63.9	Low	70.5	Confident	21 Å²	21	52.2 Å²	52.2	8%	0.079	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-19.2	179.4	-66.4	172.2	168.9	-153.1	-11.6	113.9	L168 A208 I211 N213 D636	L168-R639 PolarHBondContact N-O 3.24Å; A208-R639 PolarHBondContact O-NH1 3.07Å; I211-R639 PolarHBondContact O-NH2 3.43Å; N213-R639 PolarHBondContact OD1-NE 3.28Å; N213-R639 PolarHBondContact OD1-NH2 2.86Å; D636-R639 HydrophobicContact CB-CB 4.15Å; D636-R639 HydrophobicContact CB-CG 4.47Å; D636-R639 WeakPolarHBondContact OD1-CB 3.42Å; D636-R639 WeakPolarHBondContact OD1-CG 3.38Å; D636-R639 PolarHBondContact OD1-N 3.24Å
640	F	61.2	Low	69.5	Low	14 Å²	14	52.2 Å²	52.2	6%	0.061	26%	0.264	C	S	.	.	S	Bend	trans	-126.2	67.3	-179.8	-59.3	-62.4	0	0	0	114.7	L168 L194 F615 D636	L168-F640 HydrophobicContact CB-CE1 4.15Å; L168-F640 VanDerWaalsContact O-CD1 3.28Å; L168-F640 WeakPolarHBondContact O-CD1 3.19Å; L168-F640 WeakPolarHBondContact O-CE1 3.3Å; L194-F640 HydrophobicContact CD1-CE1 4.17Å; L194-F640 HydrophobicContact CD1-CZ 4.09Å; L194-F640 HydrophobicContact CD2-CE1 4.25Å; F615-F640 WeakPolarHBondContact O-CD2 3.25Å; F615-F640 VanDerWaalsContact O-CE2 3.26Å; F615-F640 WeakPolarHBondContact O-CE2 3.37Å; D636-F640 VanDerWaalsContact O-CD2 3.28Å; D636-F640 WeakPolarHBondContact O-CD2 3.44Å; D636-F640 PolarHBondContact O-N 2.76Å; D636-F640 VanDerWaalsContact O-N 3.17Å
641	P	52.8	Low	68.6	Low	60 Å²	60	52.4 Å²	52.4	39%	0.39	27%	0.265	S	S	.	.			trans	-71.4	148.4	-163.1	-22.1	36	0	0	0	117.7	K643	P641-K643 VanDerWaalsContact C-N 3.28Å; P641-K643 PolarHBondContact O-N 3.31Å
642	T	51	Low	67.7	Low	135 Å²	135	52.2 Å²	52.2	83%	0.828	26%	0.263	S	S	*	.	S	Bend	trans	53.1	-2	144.9	60.6	0	0	0	0	122.2
643	K	52.4	Low	67.1	Low	173 Å²	173	54.8 Å²	54.8	75%	0.752	28%	0.283	S	S	*	.	S	Bend	trans	-120.9	-24.8	161.1	-90.3	-178.2	176.6	172.8	0	113.9	P641 S646	P641-K643 VanDerWaalsContact C-N 3.28Å; P641-K643 PolarHBondContact O-N 3.31Å; K643-S646 PolarHBondContact O-OG 3.42Å
644	Q	53.7	Low	67	Low	28 Å²	28	54.6 Å²	54.6	13%	0.131	28%	0.283	C	S	.	.	S	Bend	trans	-84.6	-22.3	-171	-57.1	-178.2	36.2	0	0	112.5	F615 S646 Q647 L648	F615-Q644 HydrophobicContact CD1-CB 4.34Å; F615-Q644 HydrophobicContact CE1-CB 4.24Å; F615-Q644 HydrophobicContact CE1-CG 4.44Å; Q644-S646 PolarHBondContact O-N 3.38Å; Q644-Q647 WeakPolarHBondContact O-CA 3.3Å; Q644-Q647 WeakPolarHBondContact O-CB 3.33Å; Q644-Q647 PolarHBondContact O-N 3.03Å; Q644-L648 PolarHBondContact O-N 3.48Å
645	E	57.3	Low	67	Low	87 Å²	87	55 Å²	55	41%	0.407	29%	0.285	S	S	.	.	H	α-helix	trans	-53.5	-41	171.5	-167	-160.4	146.7	0	0	112.2	Q647 L648 R649	E645-Q647 PolarHBondContact O-N 2.99Å; E645-L648 PolarHBondContact O-N 3.37Å; E645-R649 WeakPolarHBondContact O-CG 3.48Å; E645-R649 PolarHBondContact O-N 2.85Å; E645-R649 IonicContact OE1-CZ 2.79Å; E645-R649 IonicContact OE1-NE 2.7Å; E645-R649 PolarHBondContact OE1-NE 2.96Å; E645-R649 IonicContact OE1-NH2 3.85Å; E645-R649 PolarHBondContact OE1-NH2 3.31Å
646	S	60.8	Low	67.3	Low	80 Å²	80	57.2 Å²	57.2	56%	0.559	30%	0.295	S	S	*	.	H	α-helix	trans	-61.6	-29.7	175.4	71.2	0	0	0	0	113	K643 Q644 N650	K643-S646 PolarHBondContact O-OG 3.42Å; Q644-S646 PolarHBondContact O-N 3.38Å; S646-N650 WeakPolarHBondContact O-CB 3.47Å; S646-N650 PolarHBondContact O-N 2.86Å
647	Q	61.5	Low	67.8	Low	60 Å²	60	59.5 Å²	59.5	28%	0.28	31%	0.312	S	S	.	.	H	α-helix	trans	-81.7	-37.9	178.6	-56.1	-176.1	-4.7	0	0	110.8	Q644 E645 N650 E651	Q644-Q647 WeakPolarHBondContact O-CA 3.3Å; Q644-Q647 WeakPolarHBondContact O-CB 3.33Å; Q644-Q647 PolarHBondContact O-N 3.03Å; E645-Q647 PolarHBondContact O-N 2.99Å; Q647-N650 CarbonylContact O-C 3.35Å; Q647-N650 WeakPolarHBondContact O-CA 3.47Å; Q647-N650 WeakPolarHBondContact O-CB 3.45Å; Q647-N650 PolarHBondContact O-N 3.38Å; Q647-E651 PolarHBondContact O-N 2.78Å
648	L	63.9	Low	68.6	Low	18 Å²	18	57.3 Å²	57.3	9%	0.094	30%	0.303	C	S	.	.	H	α-helix	trans	-66.3	-46.3	175.3	178.4	55.1	0	0	0	112.3	I635 Q644 E645 N650 E651 V652 V676 V678	I635-L648 HydrophobicContact CB-CD2 4.45Å; I635-L648 HydrophobicContact CD1-CD1 3.41Å; I635-L648 VanDerWaalsContact CD1-CD1 3.41Å; I635-L648 HydrophobicContact CD1-CD2 3.68Å; I635-L648 HydrophobicContact CD1-CG 4.16Å; I635-L648 HydrophobicContact CG2-CD2 4.08Å; Q644-L648 PolarHBondContact O-N 3.48Å; E645-L648 PolarHBondContact O-N 3.37Å; L648-N650 PolarHBondContact O-N 2.98Å; L648-E651 PolarHBondContact O-N 2.75Å; L648-E651 VanDerWaalsContact O-N 3.15Å; L648-V652 HydrophobicContact CD1-CG2 4.11Å; L648-V652 WeakPolarHBondContact O-CG2 3.29Å; L648-V652 PolarHBondContact O-N 2.85Å; L648-V676 HydrophobicContact CD2-CB 3.86Å; L648-V676 HydrophobicContact CD2-CG1 3.96Å; L648-V676 HydrophobicContact CD2-CG2 3.8Å; L648-V678 HydrophobicContact CD1-CG2 4.38Å
649	R	68.3	Low	69.5	Low	151 Å²	151	59.5 Å²	59.5	57%	0.57	30%	0.304	S	S	*	.	H	α-helix	trans	-56.1	-34.4	171.3	-70.2	179	-176	-99.4	3.5	111.2	E645 A653	E645-R649 WeakPolarHBondContact O-CG 3.48Å; E645-R649 PolarHBondContact O-N 2.85Å; E645-R649 IonicContact OE1-CZ 2.79Å; E645-R649 IonicContact OE1-NE 2.7Å; E645-R649 PolarHBondContact OE1-NE 2.96Å; E645-R649 IonicContact OE1-NH2 3.85Å; E645-R649 PolarHBondContact OE1-NH2 3.31Å; R649-A653 VanDerWaalsContact O-CB 3.23Å; R649-A653 WeakPolarHBondContact O-CB 3.17Å; R649-A653 PolarHBondContact O-N 2.61Å
650	N	72.4	Confident	71	Confident	70 Å²	70	60.3 Å²	60.3	37%	0.374	31%	0.308	S	S	.	.	H	α-helix	trans	-74.6	-39.8	176.9	-141.6	92.1	0	0	0	113	S646 Q647 L648 I654	S646-N650 WeakPolarHBondContact O-CB 3.47Å; S646-N650 PolarHBondContact O-N 2.86Å; Q647-N650 CarbonylContact O-C 3.35Å; Q647-N650 WeakPolarHBondContact O-CA 3.47Å; Q647-N650 WeakPolarHBondContact O-CB 3.45Å; Q647-N650 PolarHBondContact O-N 3.38Å; L648-N650 PolarHBondContact O-N 2.98Å; N650-I654 WeakPolarHBondContact ND2-CD1 3.46Å; N650-I654 WeakPolarHBondContact O-CB 3.49Å; N650-I654 VanDerWaalsContact O-CG1 3.23Å; N650-I654 WeakPolarHBondContact O-CG1 3.13Å; N650-I654 PolarHBondContact O-N 3.4Å
651	E	76.3	Confident	72.6	Confident	4 Å²	4	61.4 Å²	61.4	2%	0.019	31%	0.314	C	S	.	.	H	α-helix	trans	-60.1	-48.8	173.4	178.9	175.7	178.1	0	0	110.5	K633 Q647 L648 I654 L655 F749 G750	K633-E651 IonicContact NZ-OE1 3.69Å; K633-E651 PolarHBondContact NZ-OE1 3.21Å; K633-E651 IonicContact NZ-OE2 2.73Å; K633-E651 PolarHBondContact NZ-OE2 3.2Å; Q647-E651 PolarHBondContact O-N 2.78Å; L648-E651 PolarHBondContact O-N 2.75Å; L648-E651 VanDerWaalsContact O-N 3.15Å; E651-I654 PolarHBondContact O-N 3.26Å; E651-L655 HydrophobicContact CG-CD1 4.08Å; E651-L655 WeakPolarHBondContact O-CB 3.33Å; E651-L655 WeakPolarHBondContact O-CG 3.43Å; E651-L655 PolarHBondContact O-N 3.33Å; E651-F749 HydrophobicContact CG-CB 3.99Å; E651-G750 VanDerWaalsContact OE2-CA 3.26Å; E651-G750 WeakPolarHBondContact OE2-CA 3.29Å
652	V	72.9	Confident	74.6	Confident	5 Å²	5	58.5 Å²	58.5	3%	0.03	30%	0.296	C	S	.	.	H	α-helix	trans	-64.4	-46.8	179.4	172.9	0	0	0	0	111.3	L648 I654 L655 Q656 M669 V678	L648-V652 HydrophobicContact CD1-CG2 4.11Å; L648-V652 WeakPolarHBondContact O-CG2 3.29Å; L648-V652 PolarHBondContact O-N 2.85Å; V652-I654 VanDerWaalsContact C-N 3.32Å; V652-I654 PolarHBondContact O-N 2.88Å; V652-L655 PolarHBondContact O-N 2.98Å; V652-Q656 HydrophobicContact CG1-CG 4.26Å; V652-Q656 WeakPolarHBondContact O-CB 3.46Å; V652-Q656 VanDerWaalsContact O-CG 3.28Å; V652-Q656 WeakPolarHBondContact O-CG 3.44Å; V652-Q656 PolarHBondContact O-N 3.18Å; V652-M669 HydrophobicContact CB-SD 4.36Å; V652-M669 HydrophobicContact CG1-SD 3.92Å; V652-M669 HydrophobicContact CG2-SD 3.74Å; V652-V678 HydrophobicContact CG2-CG2 4.26Å
653	A	79.4	Confident	76.8	Confident	53 Å²	53	52.4 Å²	52.4	44%	0.438	26%	0.258	S	S	.	.	H	α-helix	trans	-63.6	-35.9	177.3	0	0	0	0	0	112.7	R649 S657	R649-A653 VanDerWaalsContact O-CB 3.23Å; R649-A653 WeakPolarHBondContact O-CB 3.17Å; R649-A653 PolarHBondContact O-N 2.61Å; A653-S657 WeakPolarHBondContact O-CB 3.38Å; A653-S657 PolarHBondContact O-N 3.06Å
654	I	84.7	Confident	78.7	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.021	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-52.4	172.6	-76.2	170	0	0	0	109.9	N650 E651 V652 Q656 S657 L658 I723 F749 A752	N650-I654 WeakPolarHBondContact ND2-CD1 3.46Å; N650-I654 WeakPolarHBondContact O-CB 3.49Å; N650-I654 VanDerWaalsContact O-CG1 3.23Å; N650-I654 WeakPolarHBondContact O-CG1 3.13Å; N650-I654 PolarHBondContact O-N 3.4Å; E651-I654 PolarHBondContact O-N 3.26Å; V652-I654 VanDerWaalsContact C-N 3.32Å; V652-I654 PolarHBondContact O-N 2.88Å; I654-Q656 PolarHBondContact O-N 3.46Å; I654-S657 WeakPolarHBondContact O-CB 3.48Å; I654-S657 PolarHBondContact O-N 3.49Å; I654-S657 PolarHBondContact O-OG 3.15Å; I654-L658 HydrophobicContact CG2-CD1 3.71Å; I654-L658 VanDerWaalsContact O-CG 3.31Å; I654-L658 WeakPolarHBondContact O-CG 3.44Å; I654-L658 PolarHBondContact O-N 3.29Å; I654-I723 HydrophobicContact CG2-CD1 4.33Å; I654-I723 HydrophobicContact CG2-CG2 4.19Å; I654-F749 HydrophobicContact CG2-CD1 3.8Å; I654-F749 HydrophobicContact CG2-CE1 4.48Å; I654-F749 HydrophobicContact CG2-CG 4.47Å; I654-A752 HydrophobicContact CD1-CB 4.05Å; I654-A752 WeakPolarHBondContact CD1-O 3.32Å
655	L	83.1	Confident	80.5	Confident	8 Å²	8	47 Å²	47	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-59.7	-43	179.2	-75.8	169.9	0	0	0	112.8	E651 V652 S657 L658 V664 L666 F749	E651-L655 HydrophobicContact CG-CD1 4.08Å; E651-L655 WeakPolarHBondContact O-CB 3.33Å; E651-L655 WeakPolarHBondContact O-CG 3.43Å; E651-L655 PolarHBondContact O-N 3.33Å; V652-L655 PolarHBondContact O-N 2.98Å; L655-S657 PolarHBondContact O-N 2.73Å; L655-L658 PolarHBondContact O-N 2.82Å; L655-L658 VanDerWaalsContact O-N 3.11Å; L655-V664 HydrophobicContact CD2-CG1 4.29Å; L655-L666 HydrophobicContact CB-CB 4.19Å; L655-L666 HydrophobicContact CB-CD2 3.86Å; L655-F749 HydrophobicContact CD2-CB 4.41Å; L655-F749 HydrophobicContact CD2-CD2 3.55Å; L655-F749 HydrophobicContact CD2-CE2 3.98Å; L655-F749 HydrophobicContact CD2-CG 4.01Å; L655-F749 HydrophobicContact CG-CB 4.28Å; L655-F749 HydrophobicContact CG-CD2 4.32Å; L655-F749 HydrophobicContact CG-CG 4.38Å
656	Q	83.3	Confident	82	Confident	59 Å²	59	43.2 Å²	43.2	28%	0.276	22%	0.221	S	C	.	.	H	α-helix	trans	-60.9	-27.1	175.3	-73.4	171.3	-15.7	0	0	112.9	S586 V652 I654 L666	S586-Q656 PolarHBondContact O-NE2 2.7Å; S586-Q656 PolarHBondContact OG-NE2 3.09Å; V652-Q656 HydrophobicContact CG1-CG 4.26Å; V652-Q656 WeakPolarHBondContact O-CB 3.46Å; V652-Q656 VanDerWaalsContact O-CG 3.28Å; V652-Q656 WeakPolarHBondContact O-CG 3.44Å; V652-Q656 PolarHBondContact O-N 3.18Å; I654-Q656 PolarHBondContact O-N 3.46Å; Q656-L666 HydrophobicContact CG-CD2 3.57Å
657	S	84.8	Confident	83.2	Confident	56 Å²	56	40.4 Å²	40.4	39%	0.392	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.5	178.1	81.7	0	0	0	0	114.7	A653 I654 L655 K721	A653-S657 WeakPolarHBondContact O-CB 3.38Å; A653-S657 PolarHBondContact O-N 3.06Å; I654-S657 WeakPolarHBondContact O-CB 3.48Å; I654-S657 PolarHBondContact O-N 3.49Å; I654-S657 PolarHBondContact O-OG 3.15Å; L655-S657 PolarHBondContact O-N 2.73Å; S657-K721 PolarHBondContact O-NZ 3.07Å
658	L	88.8	Confident	84.3	Confident	12 Å²	12	37.6 Å²	37.6	6%	0.063	19%	0.186	C	C	.	.			trans	-111.2	133.2	-172.9	-70	169.5	0	0	0	111.6	I654 L655 I663 L718 K721 I723 F749	I654-L658 HydrophobicContact CG2-CD1 3.71Å; I654-L658 VanDerWaalsContact O-CG 3.31Å; I654-L658 WeakPolarHBondContact O-CG 3.44Å; I654-L658 PolarHBondContact O-N 3.29Å; L655-L658 PolarHBondContact O-N 2.82Å; L655-L658 VanDerWaalsContact O-N 3.11Å; L658-I663 HydrophobicContact CD1-CD1 4.34Å; L658-I663 HydrophobicContact CD1-CG2 4.47Å; L658-I663 HydrophobicContact CD2-CD1 4.1Å; L658-L718 HydrophobicContact CD1-CD2 3.64Å; L658-L718 HydrophobicContact CD2-CD2 3.57Å; L658-L718 HydrophobicContact CG-CD2 4.28Å; L658-K721 HydrophobicContact CD2-CD 3.68Å; L658-I723 HydrophobicContact CD1-CD1 4.48Å; L658-I723 HydrophobicContact CD2-CD1 3.93Å; L658-I723 HydrophobicContact CG-CD1 4.32Å; L658-F749 HydrophobicContact CD1-CD1 4.24Å; L658-F749 HydrophobicContact CD1-CE1 3.76Å; L658-F749 HydrophobicContact CD1-CZ 4.16Å
659	R	87.9	Confident	85.2	Confident	152 Å²	152	37.4 Å²	37.4	57%	0.574	19%	0.185	S	C	*	.			trans	-145.4	109.3	169.2	-64	-174.7	-168.1	168.9	6.1	107.4	N589 H717	N589-R659 VanDerWaalsContact CG-NH2 3.32Å; N589-R659 PolarHBondContact ND2-NH1 2.9Å; N589-R659 PolarHBondContact ND2-NH2 3.49Å; N589-R659 PolarHBondContact OD1-NH2 2.68Å; R659-H717 PolarHBondContact O-CE1 3.2Å
660	H	93.8	Very high	85.8	Confident	37 Å²	37	30.3 Å²	30.3	17%	0.171	16%	0.158	C	C	.	.			trans	-164.2	136.2	-177.3	-175.6	-108.9	0	0	0	108.8	G662 I663 H717 Y880	H660-G662 PolarHBondContact ND1-N 3.35Å; H660-G662 VanDerWaalsContact ND1-N 3.2Å; H660-G662 PolarHBondContact O-N 2.78Å; H660-G662 VanDerWaalsContact O-N 3.12Å; H660-I663 HydrophobicContact CB-CB 4.4Å; H660-I663 HydrophobicContact CB-CD1 3.9Å; H660-I663 HydrophobicContact CB-CG1 4.1Å; H660-I663 PolarHBondContact O-N 2.66Å; H660-H717 HydrophobicContact CB-CB 4.5Å; H660-H717 AromaticContact CD2-CG 3.88Å; H660-H717 AromaticContact CD2-ND1 3.64Å; H660-H717 AromaticContact CG-CG 3.87Å; H660-H717 AromaticContact CG-ND1 3.93Å; H660-Y880 AromaticContact CE1-CD2 3.72Å; H660-Y880 AromaticContact NE2-CD2 3.64Å
661	L	94.8	Very high	86.1	Confident	37 Å²	37	28.1 Å²	28.1	19%	0.194	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-24.4	-177.1	-78.3	177.9	0	0	0	114.4	I663 Q743 K745 L876 E878 Y880	L661-I663 VanDerWaalsContact C-N 3.34Å; L661-I663 PolarHBondContact O-N 2.91Å; L661-Q743 PolarHBondContact O-NE2 2.84Å; L661-K745 VanDerWaalsContact O-CE 3.27Å; L661-K745 WeakPolarHBondContact O-CE 3.37Å; L661-K745 WeakPolarHBondContact O-CG 3.5Å; L661-L876 HydrophobicContact CD1-CD1 4.48Å; L661-E878 HydrophobicContact CD1-CB 3.7Å; L661-E878 HydrophobicContact CD1-CG 3.84Å; L661-E878 WeakPolarHBondContact CD1-OE2 3.4Å; L661-Y880 HydrophobicContact CB-CD1 3.82Å; L661-Y880 HydrophobicContact CB-CD2 4.02Å; L661-Y880 HydrophobicContact CB-CE1 3.61Å; L661-Y880 HydrophobicContact CB-CE2 3.82Å; L661-Y880 HydrophobicContact CB-CG 4.01Å; L661-Y880 HydrophobicContact CD1-CD1 3.51Å; L661-Y880 HydrophobicContact CD1-CE1 3.72Å; L661-Y880 HydrophobicContact CD1-CG 4.21Å; L661-Y880 HydrophobicContact CG-CD1 4.3Å; L661-Y880 HydrophobicContact CG-CE1 4.34Å
662	G	96.3	Very high	86	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	11.7	173.6	0	0	0	0	0	116.1	H660 A714 V744 K745 L746	H660-G662 PolarHBondContact ND1-N 3.35Å; H660-G662 VanDerWaalsContact ND1-N 3.2Å; H660-G662 PolarHBondContact O-N 2.78Å; H660-G662 VanDerWaalsContact O-N 3.12Å; G662-A714 WeakPolarHBondContact O-CB 3.41Å; G662-V744 WeakPolarHBondContact CA-O 3.49Å; G662-K745 WeakPolarHBondContact O-CA 3.41Å; G662-L746 PolarHBondContact O-N 3.32Å
663	I	96	Very high	85.9	Confident	6 Å²	6	32 Å²	32	3%	0.031	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-129.9	142.3	-177.4	-61	177.6	0	0	0	109.1	L658 H660 L661 N665 A714 L718 F749	L658-I663 HydrophobicContact CD1-CD1 4.34Å; L658-I663 HydrophobicContact CD1-CG2 4.47Å; L658-I663 HydrophobicContact CD2-CD1 4.1Å; H660-I663 HydrophobicContact CB-CB 4.4Å; H660-I663 HydrophobicContact CB-CD1 3.9Å; H660-I663 HydrophobicContact CB-CG1 4.1Å; H660-I663 PolarHBondContact O-N 2.66Å; L661-I663 VanDerWaalsContact C-N 3.34Å; L661-I663 PolarHBondContact O-N 2.91Å; I663-N665 PolarHBondContact O-N 3.5Å; I663-A714 HydrophobicContact CG1-CB 4.42Å; I663-L718 HydrophobicContact CD1-CD2 3.7Å; I663-L718 HydrophobicContact CD1-CG 4.02Å; I663-F749 HydrophobicContact CG2-CE2 3.89Å; I663-F749 HydrophobicContact CG2-CZ 3.76Å
664	V	93.6	Very high	85.6	Confident	7 Å²	7	33 Å²	33	4%	0.042	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-60.9	127.6	176.7	66.7	0	0	0	0	111.8	L655 M680 E681 L683 L746 C747	L655-V664 HydrophobicContact CD2-CG1 4.29Å; V664-M680 HydrophobicContact CG1-SD 4.37Å; V664-M680 HydrophobicContact CG2-CB 4.03Å; V664-M680 HydrophobicContact CG2-CG 4.39Å; V664-M680 HydrophobicContact CG2-SD 4.32Å; V664-E681 HydrophobicContact CG2-CG 3.85Å; V664-L683 HydrophobicContact CG2-CD2 4.05Å; V664-L746 WeakPolarHBondContact CG1-O 3.46Å; V664-L746 PolarHBondContact N-O 3.45Å; V664-C747 HydrophobicContact CB-CB 4.34Å; V664-C747 HydrophobicContact CG1-CB 3.97Å
665	N	90.3	Very high	85.2	Confident	82 Å²	82	33.7 Å²	33.7	44%	0.439	17%	0.169	S	C	.	.	P	Polyproline II helix	trans	-76.9	124.3	178.7	-175.3	62.1	0	0	0	111.9	I663 M680 E681	I663-N665 PolarHBondContact O-N 3.5Å; N665-M680 WeakPolarHBondContact O-CA 3.46Å; N665-E681 HydrophobicContact CB-CG 4.2Å; N665-E681 VanDerWaalsContact CB-OE1 3.25Å; N665-E681 WeakPolarHBondContact CB-OE1 3.39Å; N665-E681 PolarHBondContact N-OE1 3Å; N665-E681 PolarHBondContact O-N 2.94Å
666	L	89.1	Confident	85.1	Confident	7 Å²	7	33.4 Å²	33.4	4%	0.037	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	118.7	169.9	175.8	67.6	0	0	0	110	S588 L655 Q656 V678 M680	S588-L666 PolarHBondContact OG-O 3.46Å; L655-L666 HydrophobicContact CB-CB 4.19Å; L655-L666 HydrophobicContact CB-CD2 3.86Å; Q656-L666 HydrophobicContact CG-CD2 3.57Å; L666-V678 HydrophobicContact CD1-CG1 3.44Å; L666-V678 VanDerWaalsContact CD1-CG1 3.44Å; L666-M680 HydrophobicContact CD1-CG 4.47Å
667	E	86.3	Confident	85.1	Confident	21 Å²	21	30.6 Å²	30.6	10%	0.098	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-48.5	179.3	-170	160.6	140.3	0	0	111.7	Y602 H623 R628 V679	Y602-E667 PolarHBondContact OH-OE1 3.15Å; Y602-E667 VanDerWaalsContact OH-OE1 3.09Å; H623-E667 IonicContact CD2-OE1 2.61Å; R628-E667 IonicContact CZ-OE1 2.84Å; R628-E667 IonicContact CZ-OE2 2.68Å; R628-E667 IonicContact NH1-OE1 3.83Å; R628-E667 IonicContact NH1-OE2 3.98Å; R628-E667 PolarHBondContact NH1-OE2 2.91Å; R628-E667 IonicContact NH2-OE1 2.88Å; R628-E667 PolarHBondContact NH2-OE1 3.02Å; R628-E667 IonicContact NH2-OE2 3.77Å; R628-E667 PolarHBondContact NH2-OE2 2.71Å; R628-E667 VanDerWaalsContact NH2-OE2 3.12Å; E667-V679 HydrophobicContact CB-CG1 4.35Å; E667-V679 PolarHBondContact N-O 3Å
668	C	84.3	Confident	85.2	Confident	1 Å²	1	28 Å²	28	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	167.6	173.5	55.2	0	0	0	0	112.4	V587 I592 Y602 F670 V679	V587-C668 HydrophobicContact CG1-CB 4.11Å; I592-C668 HydrophobicContact CD1-CB 4.29Å; Y602-C668 PolarHBondContact OH-SG 2.85Å; C668-F670 WeakPolarHBondContact SG-CE2 3.13Å; C668-V679 PolarHBondContact N-O 3.46Å; C668-V679 PolarHBondContact O-N 3.28Å
669	M	82.1	Confident	85.2	Confident	13 Å²	13	27.4 Å²	27.4	6%	0.064	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.4	168.3	-172.3	-163.4	78.8	0	0	110.5	I585 V652 E671 V676 F677 V678	I585-M669 WeakPolarHBondContact CG2-O 3.37Å; V652-M669 HydrophobicContact CB-SD 4.36Å; V652-M669 HydrophobicContact CG1-SD 3.92Å; V652-M669 HydrophobicContact CG2-SD 3.74Å; M669-E671 HydrophobicContact CE-CB 4.03Å; M669-V676 HydrophobicContact CG-CG1 3.86Å; M669-V676 HydrophobicContact SD-CG1 3.79Å; M669-F677 WeakPolarHBondContact CA-O 3.44Å; M669-V678 HydrophobicContact CG-CG2 4.41Å
670	F	82.1	Confident	85.4	Confident	3 Å²	3	21 Å²	21	1%	0.013	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	146.3	164.9	-57.4	-99.1	0	0	0	110.1	I583 I592 I598 V601 Y602 C668 F677 V679	I583-F670 HydrophobicContact CG2-CD1 4.44Å; I592-F670 HydrophobicContact CD1-CZ 4.34Å; I598-F670 HydrophobicContact CB-CB 4.25Å; I598-F670 HydrophobicContact CB-CD1 4Å; I598-F670 HydrophobicContact CB-CD2 3.87Å; I598-F670 HydrophobicContact CB-CE1 4.28Å; I598-F670 HydrophobicContact CB-CE2 4.15Å; I598-F670 HydrophobicContact CB-CG 3.79Å; I598-F670 HydrophobicContact CB-CZ 4.35Å; I598-F670 HydrophobicContact CD1-CB 4.48Å; I598-F670 HydrophobicContact CD1-CD2 3.65Å; I598-F670 HydrophobicContact CD1-CE2 4.12Å; I598-F670 HydrophobicContact CD1-CG 4.24Å; I598-F670 HydrophobicContact CG1-CD2 3.69Å; I598-F670 HydrophobicContact CG1-CE2 3.79Å; I598-F670 HydrophobicContact CG1-CG 4.15Å; I598-F670 HydrophobicContact CG1-CZ 4.33Å; V601-F670 HydrophobicContact CB-CZ 4.45Å; V601-F670 HydrophobicContact CG2-CZ 4.4Å; Y602-F670 AromaticContact CD2-CE2 3.86Å; Y602-F670 HydrophobicContact CD2-CE2 3.86Å; Y602-F670 HydrophobicContact CD2-CZ 4.15Å; Y602-F670 AromaticContact CE2-CE2 3.55Å; Y602-F670 HydrophobicContact CE2-CE2 3.55Å; Y602-F670 AromaticContact CE2-CZ 3.79Å; Y602-F670 HydrophobicContact CE2-CZ 3.79Å; C668-F670 WeakPolarHBondContact SG-CE2 3.13Å; F670-F677 HydrophobicContact CB-CB 4.3Å; F670-F677 PolarHBondContact N-O 2.97Å; F670-F677 PolarHBondContact O-N 3.2Å; F670-V679 HydrophobicContact CD2-CG2 4.24Å; F670-V679 HydrophobicContact CE2-CG2 4.17Å
671	E	77.4	Confident	85.3	Confident	23 Å²	23	21.1 Å²	21.1	11%	0.107	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	127.5	-179.7	173.7	168.3	-150.5	0	0	109.6	I583 S584 K637 M669 V676	I583-E671 WeakPolarHBondContact CA-O 3.16Å; I583-E671 WeakPolarHBondContact CG2-O 3.5Å; S584-E671 WeakPolarHBondContact OG-CG 3.28Å; S584-E671 PolarHBondContact OG-OE2 2.83Å; K637-E671 VanDerWaalsContact CE-OE1 3.31Å; K637-E671 WeakPolarHBondContact CE-OE1 3.37Å; K637-E671 VanDerWaalsContact NZ-CG 3.29Å; K637-E671 IonicContact NZ-OE1 2.73Å; K637-E671 PolarHBondContact NZ-OE1 3.22Å; M669-E671 HydrophobicContact CE-CB 4.03Å; E671-V676 HydrophobicContact CG-CG2 4.23Å
672	T	75.1	Confident	85.3	Confident	16 Å²	16	22.2 Å²	22.2	10%	0.098	11%	0.114	C	C	.	.			trans	-111	172.7	170	77.3	0	0	0	0	109	F566 K637 E674 K675 F677	F566-T672 HydrophobicContact CE1-CG2 3.98Å; F566-T672 HydrophobicContact CZ-CG2 4.1Å; K637-T672 WeakPolarHBondContact CE-O 3.5Å; K637-T672 PolarHBondContact NZ-O 3.45Å; T672-E674 VanDerWaalsContact CB-OE2 3.28Å; T672-E674 WeakPolarHBondContact CB-OE2 3.46Å; T672-E674 PolarHBondContact O-N 2.92Å; T672-E674 PolarHBondContact OG1-N 2.84Å; T672-E674 PolarHBondContact OG1-OE2 3.26Å; T672-K675 PolarHBondContact N-O 2.94Å; T672-K675 PolarHBondContact OG1-N 3.4Å; T672-K675 PolarHBondContact OG1-O 3.43Å; T672-F677 HydrophobicContact CG2-CE2 4.25Å
673	P	71.8	Confident	85.2	Confident	75 Å²	75	23.4 Å²	23.4	49%	0.487	12%	0.12	S	C	.	.	S	Bend	trans	-58.2	-29.7	175.9	-23.2	33.7	0	0	0	113.3	K637	K637-P673 WeakPolarHBondContact CD-O 3.44Å
674	E	71.3	Confident	85	Confident	73 Å²	73	29 Å²	29	34%	0.341	15%	0.146	S	C	.	.	S	Bend	trans	-103.2	-31.3	-172.5	-36.8	71.2	-157.7	0	0	113.4	K637 L638 T672	K637-E674 VanDerWaalsContact CB-O 3.22Å; K637-E674 WeakPolarHBondContact CB-O 3.48Å; K637-E674 WeakPolarHBondContact CG-O 3.33Å; K637-E674 PolarHBondContact N-O 3.49Å; L638-E674 HydrophobicContact CD1-CB 4.22Å; L638-E674 HydrophobicContact CD1-CG 4.46Å; L638-E674 HydrophobicContact CG-CB 4.42Å; T672-E674 VanDerWaalsContact CB-OE2 3.28Å; T672-E674 WeakPolarHBondContact CB-OE2 3.46Å; T672-E674 PolarHBondContact O-N 2.92Å; T672-E674 PolarHBondContact OG1-N 2.84Å; T672-E674 PolarHBondContact OG1-OE2 3.26Å
675	K	77.6	Confident	84.7	Confident	19 Å²	19	29.5 Å²	29.5	8%	0.083	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	156.1	-167.5	-63	178.4	-169	176.6	0	112.5	I565 D568 I635 D636 T672 F677	I565-K675 HydrophobicContact CG2-CD 3.52Å; I565-K675 PolarHBondContact O-NZ 3.31Å; D568-K675 IonicContact OD2-NZ 3.88Å; I635-K675 CarbonylContact O-C 3.42Å; I635-K675 WeakPolarHBondContact O-CA 3.41Å; I635-K675 WeakPolarHBondContact O-CB 3.38Å; D636-K675 WeakPolarHBondContact OD2-CE 3.48Å; T672-K675 PolarHBondContact N-O 2.94Å; T672-K675 PolarHBondContact OG1-N 3.4Å; T672-K675 PolarHBondContact OG1-O 3.43Å; K675-F677 HydrophobicContact CB-CE2 3.69Å; K675-F677 HydrophobicContact CB-CZ 3.97Å
676	V	79.6	Confident	84.6	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.018	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.6	173.4	-173.2	0	0	0	0	109.5	V634 I635 K637 L648 M669 E671	V634-V676 WeakPolarHBondContact CA-O 3.34Å; I635-V676 HydrophobicContact CB-CB 4.36Å; I635-V676 PolarHBondContact N-O 3.2Å; I635-V676 PolarHBondContact O-N 2.89Å; K637-V676 HydrophobicContact CD-CG2 4.42Å; K637-V676 VanDerWaalsContact CE-CG2 3.46Å; K637-V676 HydrophobicContact CG-CG2 4.36Å; L648-V676 HydrophobicContact CD2-CB 3.86Å; L648-V676 HydrophobicContact CD2-CG1 3.96Å; L648-V676 HydrophobicContact CD2-CG2 3.8Å; M669-V676 HydrophobicContact CG-CG1 3.86Å; M669-V676 HydrophobicContact SD-CG1 3.79Å; E671-V676 HydrophobicContact CG-CG2 4.23Å
677	F	85.1	Confident	84.6	Confident	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	111.2	-175.8	-57.4	-102.1	0	0	0	108.9	I565 F566 I598 I604 V632 V634 M669 F670 T672 K675	I565-F677 HydrophobicContact CG2-CZ 4.45Å; F566-F677 HydrophobicContact CE1-CE2 4.21Å; F566-F677 HydrophobicContact CE1-CZ 4.02Å; F566-F677 HydrophobicContact CE2-CE1 4.22Å; F566-F677 HydrophobicContact CE2-CE2 4.3Å; F566-F677 AromaticContact CE2-CZ 3.65Å; F566-F677 HydrophobicContact CE2-CZ 3.65Å; F566-F677 HydrophobicContact CZ-CE1 4.23Å; F566-F677 AromaticContact CZ-CE2 3.53Å; F566-F677 HydrophobicContact CZ-CE2 3.53Å; F566-F677 AromaticContact CZ-CZ 3.27Å; F566-F677 HydrophobicContact CZ-CZ 3.27Å; I598-F677 HydrophobicContact CD1-CB 3.44Å; I598-F677 VanDerWaalsContact CD1-CB 3.44Å; I598-F677 HydrophobicContact CD1-CD1 3.71Å; I598-F677 HydrophobicContact CD1-CD2 4.48Å; I598-F677 HydrophobicContact CD1-CG 3.64Å; I604-F677 HydrophobicContact CD1-CD1 3.81Å; I604-F677 HydrophobicContact CD1-CE1 3.96Å; V632-F677 HydrophobicContact CG1-CB 4.17Å; V632-F677 HydrophobicContact CG1-CD1 4.21Å; V634-F677 HydrophobicContact CB-CD1 4.33Å; V634-F677 HydrophobicContact CB-CE1 4.4Å; V634-F677 HydrophobicContact CG1-CD1 3.9Å; V634-F677 HydrophobicContact CG1-CE1 3.59Å; V634-F677 HydrophobicContact CG1-CZ 4.08Å; V634-F677 HydrophobicContact CG2-CD1 3.64Å; V634-F677 HydrophobicContact CG2-CE1 3.9Å; M669-F677 WeakPolarHBondContact CA-O 3.44Å; F670-F677 HydrophobicContact CB-CB 4.3Å; F670-F677 PolarHBondContact N-O 2.97Å; F670-F677 PolarHBondContact O-N 3.2Å; T672-F677 HydrophobicContact CG2-CE2 4.25Å; K675-F677 HydrophobicContact CB-CE2 3.69Å; K675-F677 HydrophobicContact CB-CZ 3.97Å
678	V	85.5	Confident	84.4	Confident	1 Å²	1	28.5 Å²	28.5	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	112	175.9	-173.9	0	0	0	0	107.9	V632 K633 L648 V652 L666 M669 M680	V632-V678 WeakPolarHBondContact CA-O 3.43Å; K633-V678 HydrophobicContact CB-CB 4.28Å; K633-V678 PolarHBondContact N-O 3.43Å; K633-V678 PolarHBondContact O-N 3.27Å; L648-V678 HydrophobicContact CD1-CG2 4.38Å; V652-V678 HydrophobicContact CG2-CG2 4.26Å; L666-V678 HydrophobicContact CD1-CG1 3.44Å; L666-V678 VanDerWaalsContact CD1-CG1 3.44Å; M669-V678 HydrophobicContact CG-CG2 4.41Å; V678-M680 HydrophobicContact CG1-CG 4.31Å; V678-M680 HydrophobicContact CG1-SD 4.43Å
679	V	90.2	Very high	84.1	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.1	-177.1	-174.2	0	0	0	0	109.7	I598 Y602 V630 V632 E667 C668 F670	I598-V679 HydrophobicContact CD1-CG2 4.27Å; Y602-V679 HydrophobicContact CD1-CG1 4.18Å; Y602-V679 HydrophobicContact CD2-CG2 4.47Å; Y602-V679 HydrophobicContact CE1-CG1 3.73Å; Y602-V679 HydrophobicContact CE2-CG1 4.47Å; Y602-V679 HydrophobicContact CE2-CG2 4.33Å; V630-V679 HydrophobicContact CB-CG1 4.03Å; V630-V679 HydrophobicContact CG1-CG1 4.16Å; V630-V679 HydrophobicContact CG2-CG1 4.26Å; V632-V679 HydrophobicContact CG1-CG2 4.26Å; V632-V679 HydrophobicContact CG2-CG1 4.44Å; V632-V679 HydrophobicContact CG2-CG2 4.31Å; E667-V679 HydrophobicContact CB-CG1 4.35Å; E667-V679 PolarHBondContact N-O 3Å; C668-V679 PolarHBondContact N-O 3.46Å; C668-V679 PolarHBondContact O-N 3.28Å; F670-V679 HydrophobicContact CD2-CG2 4.24Å; F670-V679 HydrophobicContact CE2-CG2 4.17Å
680	M	91.5	Very high	84.3	Confident	18 Å²	18	35.2 Å²	35.2	9%	0.089	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	164.9	-177.1	-64.5	168.5	-70.5	0	0	110.3	V630 A631 K633 V664 N665 L666 V678	V630-M680 WeakPolarHBondContact CA-O 3.41Å; V630-M680 WeakPolarHBondContact CB-O 3.4Å; A631-M680 PolarHBondContact N-O 3.27Å; A631-M680 PolarHBondContact O-N 2.88Å; K633-M680 HydrophobicContact CB-CE 3.75Å; K633-M680 HydrophobicContact CD-CE 4.48Å; V664-M680 HydrophobicContact CG1-SD 4.37Å; V664-M680 HydrophobicContact CG2-CB 4.03Å; V664-M680 HydrophobicContact CG2-CG 4.39Å; V664-M680 HydrophobicContact CG2-SD 4.32Å; N665-M680 WeakPolarHBondContact O-CA 3.46Å; L666-M680 HydrophobicContact CD1-CG 4.47Å; V678-M680 HydrophobicContact CG1-CG 4.31Å; V678-M680 HydrophobicContact CG1-SD 4.43Å
681	E	92.3	Very high	84	Confident	38 Å²	38	35.3 Å²	35.3	18%	0.178	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	148.1	164.9	60.6	177.3	134.3	0	0	111.5	V664 N665 L683 K745	V664-E681 HydrophobicContact CG2-CG 3.85Å; N665-E681 HydrophobicContact CB-CG 4.2Å; N665-E681 VanDerWaalsContact CB-OE1 3.25Å; N665-E681 WeakPolarHBondContact CB-OE1 3.39Å; N665-E681 PolarHBondContact N-OE1 3Å; N665-E681 PolarHBondContact O-N 2.94Å; E681-L683 HydrophobicContact CG-CD2 3.95Å; E681-L683 WeakPolarHBondContact O-CD2 3.33Å; E681-K745 VanDerWaalsContact OE1-CD 3.29Å; E681-K745 WeakPolarHBondContact OE1-CD 3.13Å; E681-K745 IonicContact OE1-NZ 2.79Å; E681-K745 PolarHBondContact OE1-NZ 3.16Å; E681-K745 IonicContact OE2-NZ 3.17Å; E681-K745 PolarHBondContact OE2-NZ 3.04Å
682	K	93.9	Very high	83.7	Confident	61 Å²	61	40 Å²	40	27%	0.265	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-92.3	129.3	174.3	-167.2	-174.2	-177.7	-177.1	0	110.2	E608 L610 D629	E608-K682 WeakPolarHBondContact OE1-CE 3.36Å; E608-K682 IonicContact OE1-NZ 2.79Å; E608-K682 PolarHBondContact OE1-NZ 2.87Å; L610-K682 HydrophobicContact CD1-CG 4.22Å; D629-K682 HydrophobicContact CB-CB 4.22Å; D629-K682 HydrophobicContact CB-CD 3.74Å; D629-K682 IonicContact OD1-NZ 2.71Å
683	L	93.8	Very high	83.8	Confident	24 Å²	24	43.4 Å²	43.4	13%	0.126	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-101.3	166.2	175.7	-65.4	-50.9	0	0	0	110.3	V664 E681 L734 A736 K745	V664-L683 HydrophobicContact CG2-CD2 4.05Å; E681-L683 HydrophobicContact CG-CD2 3.95Å; E681-L683 WeakPolarHBondContact O-CD2 3.33Å; L683-L734 HydrophobicContact CB-CB 3.91Å; L683-L734 HydrophobicContact CB-CD1 4.16Å; L683-L734 HydrophobicContact CD2-CB 4.44Å; L683-L734 HydrophobicContact CD2-CD1 3.7Å; L683-L734 HydrophobicContact CG-CB 3.75Å; L683-L734 HydrophobicContact CG-CD1 3.91Å; L683-A736 HydrophobicContact CD1-CB 4.33Å; L683-K745 HydrophobicContact CD1-CD 4.21Å
684	H	91.6	Very high	84.4	Confident	125 Å²	125	41.5 Å²	41.5	58%	0.579	22%	0.218	S	C	*	.	S	Bend	trans	-74	-42.9	-176.5	179.2	59.9	0	0	0	112.9	L735 A738	H684-L735 WeakPolarHBondContact CB-O 3.22Å; H684-L735 PolarHBondContact N-O 3.26Å; H684-A738 WeakPolarHBondContact NE2-CB 3.27Å
685	G	88.3	Confident	84.7	Confident	16 Å²	16	46.2 Å²	46.2	17%	0.165	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.7	-165.8	-177.6	0	0	0	0	0	111	L734 L735	G685-L734 WeakPolarHBondContact O-CA 3.45Å; G685-L735 PolarHBondContact O-N 2.91Å
686	D	87.8	Confident	84.7	Confident	43 Å²	43	51.9 Å²	51.9	23%	0.23	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	166.8	-179.7	73.5	56.7	0	0	0	113.6	L688 E689 M690 L734	D686-L688 VanDerWaalsContact C-N 3.3Å; D686-L688 PolarHBondContact O-N 2.85Å; D686-L688 VanDerWaalsContact OD1-CA 3.27Å; D686-L688 WeakPolarHBondContact OD1-CA 3.31Å; D686-L688 VanDerWaalsContact OD1-CB 3.22Å; D686-L688 WeakPolarHBondContact OD1-CB 3.41Å; D686-L688 PolarHBondContact OD1-N 3.42Å; D686-E689 PolarHBondContact O-N 2.88Å; D686-E689 PolarHBondContact OD1-N 3.04Å; D686-M690 PolarHBondContact O-N 2.67Å; D686-M690 VanDerWaalsContact O-N 3.15Å; D686-L734 HydrophobicContact CB-CD2 3.83Å
687	M	89	Confident	84.5	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-69.3	-25	-177.6	-169.6	-172.5	-175.7	0	0	112.9	M690 I691 L699 L707 I711 P730 V733 I793 S797	M687-M690 PolarHBondContact O-N 3.43Å; M687-I691 HydrophobicContact CG-CD1 4.26Å; M687-I691 WeakPolarHBondContact O-CD1 3.44Å; M687-I691 WeakPolarHBondContact O-CG1 3.38Å; M687-I691 PolarHBondContact O-N 3.49Å; M687-L699 HydrophobicContact CE-CD1 4.09Å; M687-L707 HydrophobicContact CE-CB 4.15Å; M687-L707 HydrophobicContact CE-CD1 3.85Å; M687-I711 HydrophobicContact SD-CD1 4.26Å; M687-P730 HydrophobicContact CB-CB 3.99Å; M687-P730 WeakPolarHBondContact CB-O 3.27Å; M687-P730 HydrophobicContact CG-CB 4.29Å; M687-P730 PolarHBondContact N-O 3.15Å; M687-P730 HydrophobicContact SD-CB 4.43Å; M687-V733 HydrophobicContact CB-CB 3.92Å; M687-V733 HydrophobicContact CB-CG1 3.93Å; M687-V733 HydrophobicContact CG-CG1 4.44Å; M687-V733 PolarHBondContact N-O 2.89Å; M687-V733 HydrophobicContact SD-CB 4.28Å; M687-V733 HydrophobicContact SD-CG1 3.9Å; M687-I793 HydrophobicContact CE-CG2 3.98Å; M687-I793 HydrophobicContact SD-CG2 3.85Å; M687-S797 WeakPolarHBondContact CE-OG 3.35Å
688	L	81.5	Confident	84.5	Confident	47 Å²	47	56 Å²	56	25%	0.246	29%	0.289	C	S	.	.	H	α-helix	trans	-70	-42.4	173.2	-174.1	61.4	0	0	0	110.8	D686 M690 I691 L692 P730 E731	D686-L688 VanDerWaalsContact C-N 3.3Å; D686-L688 PolarHBondContact O-N 2.85Å; D686-L688 VanDerWaalsContact OD1-CA 3.27Å; D686-L688 WeakPolarHBondContact OD1-CA 3.31Å; D686-L688 VanDerWaalsContact OD1-CB 3.22Å; D686-L688 WeakPolarHBondContact OD1-CB 3.41Å; D686-L688 PolarHBondContact OD1-N 3.42Å; L688-M690 VanDerWaalsContact C-N 3.3Å; L688-M690 PolarHBondContact O-N 3.18Å; L688-I691 PolarHBondContact O-N 3.02Å; L688-L692 HydrophobicContact CD1-CD1 4.09Å; L688-L692 HydrophobicContact CD1-CG 4.17Å; L688-L692 HydrophobicContact CD2-CD1 4.41Å; L688-L692 HydrophobicContact CG-CD1 3.84Å; L688-L692 HydrophobicContact CG-CG 4.31Å; L688-L692 WeakPolarHBondContact O-CB 2.99Å; L688-L692 VanDerWaalsContact O-CG 3.28Å; L688-L692 WeakPolarHBondContact O-CG 3.04Å; L688-L692 PolarHBondContact O-N 3.31Å; L688-P730 HydrophobicContact CB-CB 4.03Å; L688-E731 HydrophobicContact CB-CG 4.13Å; L688-E731 HydrophobicContact CD2-CG 3.64Å
689	E	78.2	Confident	84.9	Confident	124 Å²	124	56.3 Å²	56.3	58%	0.579	29%	0.29	S	S	*	.	H	α-helix	trans	-61	-39.9	173.4	-177.1	163.5	-143.9	0	0	111.3	D686 L692 S693	D686-E689 PolarHBondContact O-N 2.88Å; D686-E689 PolarHBondContact OD1-N 3.04Å; E689-L692 PolarHBondContact O-N 2.91Å; E689-S693 WeakPolarHBondContact O-CB 3.26Å; E689-S693 PolarHBondContact O-N 3.49Å; E689-S693 PolarHBondContact O-OG 3.24Å
690	M	86.9	Confident	85.2	Confident	31 Å²	31	60.3 Å²	60.3	15%	0.153	32%	0.316	C	S	.	.	H	α-helix	trans	-61.9	-43.8	173.3	-172	-169.1	-110	0	0	112.7	D686 M687 L688 S693 S694 L699 L703 L707 L735 P742	D686-M690 PolarHBondContact O-N 2.67Å; D686-M690 VanDerWaalsContact O-N 3.15Å; M687-M690 PolarHBondContact O-N 3.43Å; L688-M690 VanDerWaalsContact C-N 3.3Å; L688-M690 PolarHBondContact O-N 3.18Å; M690-S693 PolarHBondContact O-OG 3.44Å; M690-S694 PolarHBondContact O-N 3.36Å; M690-L699 HydrophobicContact CG-CD2 3.92Å; M690-L699 HydrophobicContact SD-CD1 4.19Å; M690-L699 HydrophobicContact SD-CD2 4.23Å; M690-L703 HydrophobicContact CE-CD2 4.24Å; M690-L703 HydrophobicContact SD-CD2 3.97Å; M690-L707 HydrophobicContact SD-CD1 3.76Å; M690-L735 HydrophobicContact CB-CD1 3.86Å; M690-L735 HydrophobicContact CE-CD1 3.83Å; M690-L735 HydrophobicContact CG-CD1 4.38Å; M690-L735 HydrophobicContact SD-CD1 4.1Å; M690-P742 HydrophobicContact CE-CG 3.79Å
691	I	76.7	Confident	85.5	Confident	4 Å²	4	61.6 Å²	61.6	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-61.8	-44.3	175.7	-71.1	161.2	0	0	0	111	M687 L688 G697 R698 L699 P730 V796	M687-I691 HydrophobicContact CG-CD1 4.26Å; M687-I691 WeakPolarHBondContact O-CD1 3.44Å; M687-I691 WeakPolarHBondContact O-CG1 3.38Å; M687-I691 PolarHBondContact O-N 3.49Å; L688-I691 PolarHBondContact O-N 3.02Å; I691-G697 CarbonylContact O-C 3.58Å; I691-G697 WeakPolarHBondContact O-CA 3.21Å; I691-R698 PolarHBondContact O-N 2.93Å; I691-L699 HydrophobicContact CG1-CD1 3.92Å; I691-L699 HydrophobicContact CG1-CD2 4.24Å; I691-L699 HydrophobicContact CG1-CG 3.85Å; I691-P730 HydrophobicContact CD1-CB 4.22Å; I691-P730 HydrophobicContact CD1-CG 4.32Å; I691-V796 HydrophobicContact CD1-CG1 4.45Å
692	L	71	Confident	85.7	Confident	121 Å²	121	64.9 Å²	64.9	63%	0.634	33%	0.333	S	S	*	.	H	α-helix	trans	-80.5	-22.3	-175.1	-67	176.6	0	0	0	114.5	L688 E689	L688-L692 HydrophobicContact CD1-CD1 4.09Å; L688-L692 HydrophobicContact CD1-CG 4.17Å; L688-L692 HydrophobicContact CD2-CD1 4.41Å; L688-L692 HydrophobicContact CG-CD1 3.84Å; L688-L692 HydrophobicContact CG-CG 4.31Å; L688-L692 WeakPolarHBondContact O-CB 2.99Å; L688-L692 VanDerWaalsContact O-CG 3.28Å; L688-L692 WeakPolarHBondContact O-CG 3.04Å; L688-L692 PolarHBondContact O-N 3.31Å; E689-L692 PolarHBondContact O-N 2.91Å
693	S	76.9	Confident	85.9	Confident	88 Å²	88	63 Å²	63	62%	0.615	33%	0.325	S	S	*	.	H	α-helix	trans	-87.4	-19.4	176.1	57.8	0	0	0	0	113.3	E689 M690 E695	E689-S693 WeakPolarHBondContact O-CB 3.26Å; E689-S693 PolarHBondContact O-N 3.49Å; E689-S693 PolarHBondContact O-OG 3.24Å; M690-S693 PolarHBondContact O-OG 3.44Å; S693-E695 PolarHBondContact O-N 3.15Å
694	S	83.3	Confident	86.1	Confident	36 Å²	36	61.8 Å²	61.8	25%	0.252	32%	0.319	S	S	.	.	S	Bend	trans	-54.1	133.8	167.5	174	0	0	0	0	111.1	M690 K696 G697 R698	M690-S694 PolarHBondContact O-N 3.36Å; S694-K696 PolarHBondContact O-N 3.4Å; S694-K696 PolarHBondContact OG-N 2.83Å; S694-G697 PolarHBondContact O-N 3.43Å; S694-R698 WeakPolarHBondContact CB-O 3.21Å; S694-R698 PolarHBondContact OG-O 2.74Å
695	E	78.2	Confident	86.4	Confident	171 Å²	171	57.1 Å²	57.1	80%	0.799	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.3	-33.4	175.6	-176.1	-161.4	-153.8	0	0	113.2	S693	S693-E695 PolarHBondContact O-N 3.15Å
696	K	76.8	Confident	86.9	Confident	138 Å²	138	56.4 Å²	56.4	60%	0.6	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	5.4	-174	-69.8	159.1	-178	113.5	0	113.3	S694 R698	S694-K696 PolarHBondContact O-N 3.4Å; S694-K696 PolarHBondContact OG-N 2.83Å; K696-R698 HydrophobicContact CB-CG 4.19Å; K696-R698 WeakPolarHBondContact O-CG 3.45Å; K696-R698 PolarHBondContact O-N 3.41Å
697	G	75.3	Confident	87.4	Confident	28 Å²	28	54.4 Å²	54.4	29%	0.289	28%	0.278	S	S	.	.	S	Bend	trans	63.7	19.3	-176.2	0	0	0	0	0	114.4	I691 S694 G800	I691-G697 CarbonylContact O-C 3.58Å; I691-G697 WeakPolarHBondContact O-CA 3.21Å; S694-G697 PolarHBondContact O-N 3.43Å; G697-G800 WeakPolarHBondContact O-CA 3.45Å
698	R	85.3	Confident	87.8	Confident	63 Å²	63	54.4 Å²	54.4	24%	0.238	28%	0.278	C	S	.	.	S	Bend	trans	-165.4	160.5	-173.3	68.1	-154.9	-173.5	77	5.3	111.3	I691 S694 K696 L798 S799	I691-R698 PolarHBondContact O-N 2.93Å; S694-R698 WeakPolarHBondContact CB-O 3.21Å; S694-R698 PolarHBondContact OG-O 2.74Å; K696-R698 HydrophobicContact CB-CG 4.19Å; K696-R698 WeakPolarHBondContact O-CG 3.45Å; K696-R698 PolarHBondContact O-N 3.41Å; R698-L798 WeakPolarHBondContact CD-O 3.4Å; R698-L798 PolarHBondContact NH1-O 2.79Å; R698-S799 VanDerWaalsContact CD-O 3.22Å; R698-S799 WeakPolarHBondContact CD-O 3.31Å
699	L	94.9	Very high	88.6	Confident	7 Å²	7	52.7 Å²	52.7	4%	0.037	27%	0.27	C	S	.	.			trans	-95	151.7	-174.1	-52.8	-176.8	0	0	0	112.3	M687 M690 I691 L703 L707 S797	M687-L699 HydrophobicContact CE-CD1 4.09Å; M690-L699 HydrophobicContact CG-CD2 3.92Å; M690-L699 HydrophobicContact SD-CD1 4.19Å; M690-L699 HydrophobicContact SD-CD2 4.23Å; I691-L699 HydrophobicContact CG1-CD1 3.92Å; I691-L699 HydrophobicContact CG1-CD2 4.24Å; I691-L699 HydrophobicContact CG1-CG 3.85Å; L699-L703 HydrophobicContact CD2-CD2 4.29Å; L699-L707 HydrophobicContact CD1-CD1 3.79Å; L699-S797 PolarHBondContact N-O 3.25Å
700	P	96.2	Very high	89.6	Confident	83 Å²	83	46.8 Å²	46.8	54%	0.539	24%	0.242	S	C	.	.			trans	-75.5	149.4	170.2	32.2	-34.3	0	0	0	111.2	R702 L703 T704	P700-R702 VanDerWaalsContact C-N 3.32Å; P700-R702 PolarHBondContact O-N 2.89Å; P700-L703 HydrophobicContact CG-CB 3.96Å; P700-L703 PolarHBondContact O-N 3.41Å; P700-T704 PolarHBondContact O-N 3.35Å; P700-T704 PolarHBondContact O-OG1 3.47Å
701	E	96.9	Very high	90.2	Very high	46 Å²	46	45.3 Å²	45.3	22%	0.215	24%	0.235	C	C	.	.	H	α-helix	trans	-52	-43.4	-175.8	-78.8	-178.5	-130.1	0	0	114.2	L703 T704 K705 L798 I829 S830 Y859	E701-L703 VanDerWaalsContact C-N 3.28Å; E701-L703 PolarHBondContact O-N 2.66Å; E701-T704 PolarHBondContact O-N 3.18Å; E701-T704 VanDerWaalsContact O-N 3.13Å; E701-K705 VanDerWaalsContact O-CG 3.3Å; E701-K705 WeakPolarHBondContact O-CG 3.37Å; E701-K705 PolarHBondContact O-N 3.41Å; E701-L798 HydrophobicContact CB-CD2 4.45Å; E701-L798 HydrophobicContact CG-CD2 3.68Å; E701-I829 WeakPolarHBondContact OE1-CA 3.15Å; E701-S830 PolarHBondContact OE1-N 2.88Å; E701-S830 VanDerWaalsContact OE2-CB 3.25Å; E701-S830 WeakPolarHBondContact OE2-CB 3.41Å; E701-S830 PolarHBondContact OE2-OG 2.7Å; E701-Y859 HydrophobicContact CG-CE2 4.42Å; E701-Y859 WeakPolarHBondContact OE2-CE2 3.33Å
702	R	97	Very high	91.2	Very high	107 Å²	107	45.2 Å²	45.2	40%	0.404	23%	0.234	S	C	.	.	H	α-helix	trans	-54.7	-43.3	178	-177.8	180	167.2	-169.5	-4.9	112.2	P700 F706 F741 Q864 D868	P700-R702 VanDerWaalsContact C-N 3.32Å; P700-R702 PolarHBondContact O-N 2.89Å; R702-F706 WeakPolarHBondContact O-CB 3.38Å; R702-F706 PolarHBondContact O-N 2.96Å; R702-F741 HydrophobicContact CG-CE1 4.05Å; R702-F741 HydrophobicContact CG-CZ 3.98Å; R702-Q864 HydrophobicContact CG-CG 4.45Å; R702-D868 IonicContact CZ-OD1 3.64Å; R702-D868 IonicContact CZ-OD2 2.63Å; R702-D868 IonicContact NE-OD1 3.46Å; R702-D868 IonicContact NE-OD2 2.91Å; R702-D868 PolarHBondContact NE-OD2 3.45Å; R702-D868 IonicContact NH2-OD1 2.74Å; R702-D868 PolarHBondContact NH2-OD1 3.49Å; R702-D868 IonicContact NH2-OD2 2.75Å; R702-D868 PolarHBondContact NH2-OD2 2.69Å
703	L	97.5	Very high	92.5	Very high	20 Å²	20	39.5 Å²	39.5	11%	0.105	21%	0.205	C	C	.	.	H	α-helix	trans	-72.5	-42.6	176.8	-177.8	53.9	0	0	0	111.2	M690 L699 P700 E701 K705 F706 L707 P740 F741	M690-L703 HydrophobicContact CE-CD2 4.24Å; M690-L703 HydrophobicContact SD-CD2 3.97Å; L699-L703 HydrophobicContact CD2-CD2 4.29Å; P700-L703 HydrophobicContact CG-CB 3.96Å; P700-L703 PolarHBondContact O-N 3.41Å; E701-L703 VanDerWaalsContact C-N 3.28Å; E701-L703 PolarHBondContact O-N 2.66Å; L703-K705 VanDerWaalsContact C-N 3.34Å; L703-K705 PolarHBondContact O-N 3.24Å; L703-F706 HydrophobicContact CD1-CD1 4.15Å; L703-F706 PolarHBondContact O-N 3.23Å; L703-L707 HydrophobicContact CD1-CD1 3.91Å; L703-L707 HydrophobicContact CD1-CD2 4.25Å; L703-L707 HydrophobicContact CD1-CG 3.87Å; L703-L707 HydrophobicContact CG-CD1 3.86Å; L703-L707 HydrophobicContact CG-CG 4.28Å; L703-L707 VanDerWaalsContact O-CG 3.31Å; L703-L707 WeakPolarHBondContact O-CG 3.41Å; L703-L707 PolarHBondContact O-N 2.76Å; L703-P740 VanDerWaalsContact CD1-O 3.24Å; L703-P740 WeakPolarHBondContact CD1-O 3.35Å; L703-F741 HydrophobicContact CD1-CD1 4.06Å; L703-F741 HydrophobicContact CD1-CE1 4.24Å
704	T	98.1	Very high	93.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-58.6	-44.1	175.8	-55.2	0	0	0	0	111.8	P700 E701 L707 I708 M794 L798	P700-T704 PolarHBondContact O-N 3.35Å; P700-T704 PolarHBondContact O-OG1 3.47Å; E701-T704 PolarHBondContact O-N 3.18Å; E701-T704 VanDerWaalsContact O-N 3.13Å; T704-L707 PolarHBondContact O-N 3.32Å; T704-I708 HydrophobicContact CG2-CG1 3.96Å; T704-I708 VanDerWaalsContact O-CB 3.23Å; T704-I708 WeakPolarHBondContact O-CB 3.3Å; T704-I708 WeakPolarHBondContact O-CG1 3.29Å; T704-I708 PolarHBondContact O-N 3.17Å; T704-M794 HydrophobicContact CG2-CG 4.19Å; T704-L798 HydrophobicContact CG2-CD1 4.45Å; T704-L798 HydrophobicContact CG2-CD2 4.01Å; T704-L798 HydrophobicContact CG2-CG 4.02Å; T704-L798 WeakPolarHBondContact OG1-CD2 3.45Å
705	K	98.2	Very high	94.2	Very high	27 Å²	27	33.6 Å²	33.6	12%	0.117	16%	0.163	C	C	.	.	H	α-helix	trans	-56.6	-52.6	174.6	-70.6	179.1	-176.8	-153.9	0	111.3	E701 L703 L707 I708 T709 Y859 L860 D862 T865	E701-K705 VanDerWaalsContact O-CG 3.3Å; E701-K705 WeakPolarHBondContact O-CG 3.37Å; E701-K705 PolarHBondContact O-N 3.41Å; L703-K705 VanDerWaalsContact C-N 3.34Å; L703-K705 PolarHBondContact O-N 3.24Å; K705-L707 PolarHBondContact O-N 2.79Å; K705-I708 PolarHBondContact O-N 3.3Å; K705-T709 WeakPolarHBondContact O-CB 3.42Å; K705-T709 PolarHBondContact O-N 3.02Å; K705-T709 PolarHBondContact O-OG1 3.04Å; K705-Y859 HydrophobicContact CB-CE1 4.5Å; K705-Y859 HydrophobicContact CD-CE2 4.49Å; K705-Y859 VanDerWaalsContact CD-O 3.25Å; K705-Y859 WeakPolarHBondContact CD-O 3.39Å; K705-Y859 WeakPolarHBondContact CE-O 3.25Å; K705-Y859 HydrophobicContact CG-CD1 4.11Å; K705-Y859 HydrophobicContact CG-CE1 3.53Å; K705-Y859 HydrophobicContact CG-CE2 4.03Å; K705-Y859 VanDerWaalsContact CG-CZ 3.48Å; K705-Y859 PolarHBondContact NZ-O 2.89Å; K705-L860 HydrophobicContact CB-CD2 4.02Å; K705-L860 HydrophobicContact CG-CD2 4.11Å; K705-D862 IonicContact NZ-OD2 3.87Å; K705-D862 PolarHBondContact NZ-OD2 3.36Å; K705-T865 HydrophobicContact CB-CG2 4.05Å; K705-T865 WeakPolarHBondContact CD-OG1 3.46Å
706	F	98.4	Very high	95	Very high	1 Å²	1	30 Å²	30	0%	0.004	14%	0.143	C	C	.	.	H	α-helix	trans	-58.3	-45	-179.2	172.4	-93.5	0	0	0	112.7	R702 L703 Q710 F741 P742 D868 L869 L872	R702-F706 WeakPolarHBondContact O-CB 3.38Å; R702-F706 PolarHBondContact O-N 2.96Å; L703-F706 HydrophobicContact CD1-CD1 4.15Å; L703-F706 PolarHBondContact O-N 3.23Å; F706-Q710 WeakPolarHBondContact O-CG 3.29Å; F706-Q710 PolarHBondContact O-N 3.31Å; F706-F741 HydrophobicContact CB-CD1 4.13Å; F706-F741 HydrophobicContact CB-CE1 4.34Å; F706-F741 HydrophobicContact CD1-CB 4.33Å; F706-F741 AromaticContact CD1-CD1 3.75Å; F706-F741 HydrophobicContact CD1-CD1 3.75Å; F706-F741 AromaticContact CD2-CD1 3.99Å; F706-F741 HydrophobicContact CD2-CD1 3.99Å; F706-F741 VanDerWaalsContact CE1-C 3.42Å; F706-F741 HydrophobicContact CE1-CB 3.74Å; F706-F741 HydrophobicContact CE1-CD1 4.04Å; F706-F741 HydrophobicContact CE1-CG 4.42Å; F706-F741 HydrophobicContact CE2-CB 4.17Å; F706-F741 HydrophobicContact CE2-CD1 4.28Å; F706-F741 AromaticContact CG-CD1 3.71Å; F706-F741 HydrophobicContact CG-CD1 3.71Å; F706-F741 HydrophobicContact CG-CE1 4.39Å; F706-F741 HydrophobicContact CZ-CB 3.65Å; F706-F741 HydrophobicContact CZ-CD1 4.3Å; F706-F741 HydrophobicContact CZ-CG 4.49Å; F706-P742 VanDerWaalsContact CE1-O 3.27Å; F706-P742 WeakPolarHBondContact CE1-O 3.29Å; F706-D868 HydrophobicContact CD2-CB 3.74Å; F706-D868 HydrophobicContact CE2-CB 4.11Å; F706-L869 HydrophobicContact CD2-CD2 3.48Å; F706-L869 VanDerWaalsContact CD2-CD2 3.48Å; F706-L869 HydrophobicContact CD2-CG 3.93Å; F706-L869 HydrophobicContact CE2-CD2 3.74Å; F706-L869 HydrophobicContact CE2-CG 4.35Å; F706-L869 HydrophobicContact CG-CD2 4.27Å; F706-L872 HydrophobicContact CE2-CB 4.21Å; F706-L872 HydrophobicContact CE2-CD2 4.2Å; F706-L872 HydrophobicContact CZ-CB 4.25Å; F706-L872 HydrophobicContact CZ-CD2 3.83Å; F706-L872 HydrophobicContact CZ-CG 4.45Å
707	L	98.4	Very high	95.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-70	-44.2	177.6	-61	172.1	0	0	0	111.9	M687 M690 L699 L703 T704 K705 T709 Q710 I711 L735 V744	M687-L707 HydrophobicContact CE-CB 4.15Å; M687-L707 HydrophobicContact CE-CD1 3.85Å; M690-L707 HydrophobicContact SD-CD1 3.76Å; L699-L707 HydrophobicContact CD1-CD1 3.79Å; L703-L707 HydrophobicContact CD1-CD1 3.91Å; L703-L707 HydrophobicContact CD1-CD2 4.25Å; L703-L707 HydrophobicContact CD1-CG 3.87Å; L703-L707 HydrophobicContact CG-CD1 3.86Å; L703-L707 HydrophobicContact CG-CG 4.28Å; L703-L707 VanDerWaalsContact O-CG 3.31Å; L703-L707 WeakPolarHBondContact O-CG 3.41Å; L703-L707 PolarHBondContact O-N 2.76Å; T704-L707 PolarHBondContact O-N 3.32Å; K705-L707 PolarHBondContact O-N 2.79Å; L707-T709 PolarHBondContact O-N 3.41Å; L707-Q710 PolarHBondContact O-N 3.25Å; L707-I711 WeakPolarHBondContact O-CG1 3.39Å; L707-I711 PolarHBondContact O-N 3.01Å; L707-L735 HydrophobicContact CD2-CD2 4.33Å; L707-V744 HydrophobicContact CB-CG2 4.35Å; L707-V744 HydrophobicContact CD2-CG2 3.36Å; L707-V744 HydrophobicContact CG-CG2 4.44Å
708	I	98.6	Very high	96.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-63.6	-39.7	179.2	-69.3	-73	0	0	0	111.4	T704 K705 Q710 I711 L712 V790 I793 M794 L860	T704-I708 HydrophobicContact CG2-CG1 3.96Å; T704-I708 VanDerWaalsContact O-CB 3.23Å; T704-I708 WeakPolarHBondContact O-CB 3.3Å; T704-I708 WeakPolarHBondContact O-CG1 3.29Å; T704-I708 PolarHBondContact O-N 3.17Å; K705-I708 PolarHBondContact O-N 3.3Å; I708-Q710 VanDerWaalsContact C-N 3.34Å; I708-Q710 PolarHBondContact O-N 3.31Å; I708-I711 HydrophobicContact CD1-CD1 4.33Å; I708-I711 PolarHBondContact O-N 2.9Å; I708-L712 HydrophobicContact CG2-CD1 3.86Å; I708-L712 HydrophobicContact CG2-CG 4.31Å; I708-L712 WeakPolarHBondContact O-CB 3.37Å; I708-L712 VanDerWaalsContact O-CG 3.3Å; I708-L712 WeakPolarHBondContact O-CG 3.27Å; I708-L712 PolarHBondContact O-N 3.38Å; I708-V790 HydrophobicContact CD1-CG1 4.03Å; I708-V790 HydrophobicContact CG2-CG1 4.22Å; I708-I793 HydrophobicContact CD1-CG2 4.11Å; I708-M794 HydrophobicContact CD1-CB 3.9Å; I708-M794 HydrophobicContact CD1-CG 4.47Å; I708-M794 HydrophobicContact CG1-CB 4.38Å; I708-M794 HydrophobicContact CG1-CG 4.42Å; I708-L860 HydrophobicContact CG2-CD1 4.29Å; I708-L860 HydrophobicContact CG2-CD2 4.41Å
709	T	98.5	Very high	97.3	Very high	11 Å²	11	21.7 Å²	21.7	7%	0.067	10%	0.101	C	C	.	.	H	α-helix	trans	-63.3	-38.4	176.1	-57.8	0	0	0	0	111.9	K705 L707 L712 A713 L855 L869 I881	K705-T709 WeakPolarHBondContact O-CB 3.42Å; K705-T709 PolarHBondContact O-N 3.02Å; K705-T709 PolarHBondContact O-OG1 3.04Å; L707-T709 PolarHBondContact O-N 3.41Å; T709-L712 PolarHBondContact O-N 3.48Å; T709-A713 PolarHBondContact O-N 3.17Å; T709-L855 HydrophobicContact CG2-CD2 3.86Å; T709-L869 HydrophobicContact CG2-CD1 3.64Å; T709-I881 HydrophobicContact CG2-CG2 3.73Å
710	Q	98.5	Very high	97.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-66.1	-42.9	173.2	-70.8	-175.2	73.1	0	0	112.7	F706 L707 I708 L712 A713 A714 P742 V744 L869 L872 I881	F706-Q710 WeakPolarHBondContact O-CG 3.29Å; F706-Q710 PolarHBondContact O-N 3.31Å; L707-Q710 PolarHBondContact O-N 3.25Å; I708-Q710 VanDerWaalsContact C-N 3.34Å; I708-Q710 PolarHBondContact O-N 3.31Å; Q710-L712 VanDerWaalsContact C-N 3.32Å; Q710-L712 PolarHBondContact O-N 2.8Å; Q710-A713 PolarHBondContact O-N 3.28Å; Q710-A714 PolarHBondContact O-N 3.49Å; Q710-P742 PolarHBondContact NE2-O 3.24Å; Q710-V744 HydrophobicContact CB-CB 3.88Å; Q710-V744 HydrophobicContact CB-CG2 4.22Å; Q710-L869 HydrophobicContact CG-CD2 4.15Å; Q710-L872 HydrophobicContact CG-CD2 4.33Å; Q710-I881 HydrophobicContact CG-CD1 3.85Å
711	I	98.6	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.1	-45.4	174.8	-66.6	164.8	0	0	0	110.2	M687 L707 I708 A714 L715 L728 V733 V744 L746 V790 I793	M687-I711 HydrophobicContact SD-CD1 4.26Å; L707-I711 WeakPolarHBondContact O-CG1 3.39Å; L707-I711 PolarHBondContact O-N 3.01Å; I708-I711 HydrophobicContact CD1-CD1 4.33Å; I708-I711 PolarHBondContact O-N 2.9Å; I711-A714 PolarHBondContact O-N 2.82Å; I711-L715 HydrophobicContact CG2-CD1 4.09Å; I711-L715 HydrophobicContact CG2-CG 4.43Å; I711-L715 WeakPolarHBondContact O-CG 3.29Å; I711-L715 PolarHBondContact O-N 3.33Å; I711-L728 HydrophobicContact CG2-CD2 4.15Å; I711-V733 HydrophobicContact CD1-CG1 3.94Å; I711-V733 HydrophobicContact CD1-CG2 4.08Å; I711-V733 HydrophobicContact CG1-CG1 4.12Å; I711-V733 HydrophobicContact CG1-CG2 4.4Å; I711-V744 HydrophobicContact CG1-CG1 3.98Å; I711-L746 HydrophobicContact CG1-CD2 4.4Å; I711-L746 HydrophobicContact CG2-CD2 4.45Å; I711-V790 HydrophobicContact CG2-CG2 4.02Å; I711-I793 HydrophobicContact CD1-CG2 4.44Å
712	L	98.6	Very high	96.7	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	13%	0.131	C	C	.	.	H	α-helix	trans	-63	-42	176.9	-72.6	170.4	0	0	0	111.9	I708 T709 Q710 A714 L715 R716 M787 V790 V851 L855 L860	I708-L712 HydrophobicContact CG2-CD1 3.86Å; I708-L712 HydrophobicContact CG2-CG 4.31Å; I708-L712 WeakPolarHBondContact O-CB 3.37Å; I708-L712 VanDerWaalsContact O-CG 3.3Å; I708-L712 WeakPolarHBondContact O-CG 3.27Å; I708-L712 PolarHBondContact O-N 3.38Å; T709-L712 PolarHBondContact O-N 3.48Å; Q710-L712 VanDerWaalsContact C-N 3.32Å; Q710-L712 PolarHBondContact O-N 2.8Å; L712-A714 VanDerWaalsContact C-N 3.34Å; L712-A714 PolarHBondContact O-N 2.76Å; L712-L715 PolarHBondContact O-N 3.05Å; L712-R716 PolarHBondContact O-N 3.43Å; L712-M787 HydrophobicContact CD2-CE 3.67Å; L712-M787 HydrophobicContact CD2-SD 4.3Å; L712-V790 HydrophobicContact CD2-CG1 4.38Å; L712-V851 HydrophobicContact CB-CG1 4.18Å; L712-V851 HydrophobicContact CD2-CG1 4.27Å; L712-V851 WeakPolarHBondContact O-CG1 3.36Å; L712-L855 HydrophobicContact CB-CD1 4.48Å; L712-L855 HydrophobicContact CB-CD2 3.65Å; L712-L855 HydrophobicContact CB-CG 3.97Å; L712-L855 HydrophobicContact CD1-CD2 3.98Å; L712-L855 HydrophobicContact CD1-CG 4.23Å; L712-L855 HydrophobicContact CG-CD2 4.48Å; L712-L860 HydrophobicContact CD1-CD1 3.55Å
713	A	97.8	Very high	96.5	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.008	11%	0.113	C	C	.	.	H	α-helix	trans	-60.7	-41	174.5	0	0	0	0	0	112.3	T709 Q710 R716 H717 I881	T709-A713 PolarHBondContact O-N 3.17Å; Q710-A713 PolarHBondContact O-N 3.28Å; A713-R716 WeakPolarHBondContact O-CB 3.16Å; A713-R716 PolarHBondContact O-N 3.36Å; A713-H717 PolarHBondContact O-N 3.09Å; A713-I881 HydrophobicContact CB-CG1 4.45Å; A713-I881 HydrophobicContact CB-CG2 4.26Å
714	A	97.9	Very high	96.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-65.3	-42.9	173.8	0	0	0	0	0	112.8	G662 I663 Q710 I711 L712 R716 H717 L718 L746	G662-A714 WeakPolarHBondContact O-CB 3.41Å; I663-A714 HydrophobicContact CG1-CB 4.42Å; Q710-A714 PolarHBondContact O-N 3.49Å; I711-A714 PolarHBondContact O-N 2.82Å; L712-A714 VanDerWaalsContact C-N 3.34Å; L712-A714 PolarHBondContact O-N 2.76Å; A714-R716 VanDerWaalsContact C-N 3.31Å; A714-R716 PolarHBondContact O-N 3.07Å; A714-H717 PolarHBondContact O-N 2.86Å; A714-L718 PolarHBondContact O-N 2.93Å; A714-L718 VanDerWaalsContact O-N 3.16Å; A714-L746 HydrophobicContact CB-CD1 3.68Å; A714-L746 HydrophobicContact CB-CG 3.93Å
715	L	97.8	Very high	95.8	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-63.5	-35	174.4	-70	175.5	0	0	0	112.2	I711 L712 H717 L718 H719 L728 L746 D786 M787 V790 V851	I711-L715 HydrophobicContact CG2-CD1 4.09Å; I711-L715 HydrophobicContact CG2-CG 4.43Å; I711-L715 WeakPolarHBondContact O-CG 3.29Å; I711-L715 PolarHBondContact O-N 3.33Å; L712-L715 PolarHBondContact O-N 3.05Å; L715-H717 VanDerWaalsContact C-N 3.33Å; L715-H717 PolarHBondContact O-N 3.25Å; L715-L718 HydrophobicContact CD2-CD1 4.35Å; L715-L718 PolarHBondContact O-N 2.94Å; L715-H719 VanDerWaalsContact O-CB 3.25Å; L715-H719 WeakPolarHBondContact O-CB 3.27Å; L715-H719 PolarHBondContact O-CD2 3.45Å; L715-H719 VanDerWaalsContact O-CG 3.24Å; L715-H719 PolarHBondContact O-N 3.25Å; L715-L728 HydrophobicContact CD1-CD2 4.01Å; L715-L728 HydrophobicContact CD2-CD2 4.4Å; L715-L746 HydrophobicContact CD2-CD1 4.26Å; L715-L746 HydrophobicContact CG-CD1 4.49Å; L715-D786 HydrophobicContact CD1-CB 4.28Å; L715-D786 HydrophobicContact CD2-CB 3.86Å; L715-M787 HydrophobicContact CD1-SD 4.38Å; L715-V790 HydrophobicContact CD1-CG2 3.49Å; L715-V790 VanDerWaalsContact CD1-CG2 3.49Å; L715-V851 HydrophobicContact CB-CG2 3.88Å
716	R	96.6	Very high	95.3	Very high	97 Å²	97	23.1 Å²	23.1	37%	0.366	10%	0.103	S	C	.	.	H	α-helix	trans	-55.4	-48.6	174.5	-166.1	167.1	56.9	-174.8	-4.2	111	L712 A713 A714 F720 V851	L712-R716 PolarHBondContact O-N 3.43Å; A713-R716 WeakPolarHBondContact O-CB 3.16Å; A713-R716 PolarHBondContact O-N 3.36Å; A714-R716 VanDerWaalsContact C-N 3.31Å; A714-R716 PolarHBondContact O-N 3.07Å; R716-F720 VanDerWaalsContact O-CB 3.28Å; R716-F720 WeakPolarHBondContact O-CB 3.47Å; R716-F720 PolarHBondContact O-N 2.89Å; R716-V851 HydrophobicContact CB-CG1 3.8Å; R716-V851 HydrophobicContact CG-CG1 4.38Å
717	H	95.6	Very high	94.6	Very high	44 Å²	44	23.2 Å²	23.2	20%	0.204	10%	0.103	C	C	.	.	H	α-helix	trans	-63.7	-43.7	177.9	-176	101.5	0	0	0	112.5	R659 H660 A713 A714 L715 K721	R659-H717 PolarHBondContact O-CE1 3.2Å; H660-H717 HydrophobicContact CB-CB 4.5Å; H660-H717 AromaticContact CD2-CG 3.88Å; H660-H717 AromaticContact CD2-ND1 3.64Å; H660-H717 AromaticContact CG-CG 3.87Å; H660-H717 AromaticContact CG-ND1 3.93Å; A713-H717 PolarHBondContact O-N 3.09Å; A714-H717 PolarHBondContact O-N 2.86Å; L715-H717 VanDerWaalsContact C-N 3.33Å; L715-H717 PolarHBondContact O-N 3.25Å; H717-K721 WeakPolarHBondContact NE2-CE 3.45Å; H717-K721 PolarHBondContact O-N 2.59Å
718	L	95.4	Very high	94.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-63.1	-50.3	176.6	-68.1	179.7	0	0	0	111.8	L658 I663 A714 L715 F720 K721 N722 I723 L746 F749	L658-L718 HydrophobicContact CD1-CD2 3.64Å; L658-L718 HydrophobicContact CD2-CD2 3.57Å; L658-L718 HydrophobicContact CG-CD2 4.28Å; I663-L718 HydrophobicContact CD1-CD2 3.7Å; I663-L718 HydrophobicContact CD1-CG 4.02Å; A714-L718 PolarHBondContact O-N 2.93Å; A714-L718 VanDerWaalsContact O-N 3.16Å; L715-L718 HydrophobicContact CD2-CD1 4.35Å; L715-L718 PolarHBondContact O-N 2.94Å; L718-F720 VanDerWaalsContact C-N 3.33Å; L718-F720 PolarHBondContact O-N 3.34Å; L718-K721 CarbonylContact O-C 3.58Å; L718-K721 WeakPolarHBondContact O-CA 3.19Å; L718-K721 PolarHBondContact O-N 3.3Å; L718-K721 VanDerWaalsContact O-N 3.11Å; L718-N722 PolarHBondContact O-N 3.25Å; L718-I723 CarbonylContact C-O 3.5Å; L718-I723 VanDerWaalsContact C-O 3.29Å; L718-I723 HydrophobicContact CB-CB 4.38Å; L718-I723 HydrophobicContact CD2-CB 4.27Å; L718-I723 HydrophobicContact CD2-CG2 4Å; L718-I723 PolarHBondContact O-N 3.42Å; L718-L746 HydrophobicContact CD1-CD1 4.23Å; L718-F749 HydrophobicContact CD1-CE1 3.93Å; L718-F749 HydrophobicContact CD1-CZ 4.22Å; L718-F749 HydrophobicContact CD2-CE1 3.79Å; L718-F749 HydrophobicContact CD2-CZ 4.31Å
719	H	94.4	Very high	93.6	Very high	10 Å²	10	24.3 Å²	24.3	5%	0.046	11%	0.108	C	C	.	.	H	α-helix	trans	-68.3	-31.9	-174.9	-71	-168.3	0	0	0	112.3	L715 N722 I723 R783 D786	L715-H719 VanDerWaalsContact O-CB 3.25Å; L715-H719 WeakPolarHBondContact O-CB 3.27Å; L715-H719 PolarHBondContact O-CD2 3.45Å; L715-H719 VanDerWaalsContact O-CG 3.24Å; L715-H719 PolarHBondContact O-N 3.25Å; H719-N722 PolarHBondContact O-N 2.87Å; H719-N722 VanDerWaalsContact O-N 3.12Å; H719-I723 PolarHBondContact CD2-O 2.95Å; H719-R783 PolarHBondContact CE1-O 3.26Å; H719-D786 IonicContact CD2-OD2 2.59Å; H719-D786 IonicContact CE1-OD2 3.53Å; H719-D786 IonicContact NE2-OD2 2.6Å; H719-D786 PolarHBondContact NE2-OD2 3.46Å
720	F	93.3	Very high	92.9	Very high	177 Å²	177	23.8 Å²	23.8	78%	0.776	11%	0.105	S	C	*	.	H	α-helix	trans	-63.7	-43.1	169.7	-179.8	-99.4	0	0	0	111.9	R716 L718 N722	R716-F720 VanDerWaalsContact O-CB 3.28Å; R716-F720 WeakPolarHBondContact O-CB 3.47Å; R716-F720 PolarHBondContact O-N 2.89Å; L718-F720 VanDerWaalsContact C-N 3.33Å; L718-F720 PolarHBondContact O-N 3.34Å; F720-N722 PolarHBondContact O-N 3.13Å; F720-N722 VanDerWaalsContact O-N 3.11Å; F720-N722 PolarHBondContact O-ND2 3.43Å
721	K	91.9	Very high	92.2	Very high	86 Å²	86	26.6 Å²	26.6	37%	0.374	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	7.8	170.8	-76.1	171.5	172.4	-90.9	0	113.9	S657 L658 H717 L718 I723	S657-K721 PolarHBondContact O-NZ 3.07Å; L658-K721 HydrophobicContact CD2-CD 3.68Å; H717-K721 WeakPolarHBondContact NE2-CE 3.45Å; H717-K721 PolarHBondContact O-N 2.59Å; L718-K721 CarbonylContact O-C 3.58Å; L718-K721 WeakPolarHBondContact O-CA 3.19Å; L718-K721 PolarHBondContact O-N 3.3Å; L718-K721 VanDerWaalsContact O-N 3.11Å; K721-I723 HydrophobicContact CB-CD1 3.86Å; K721-I723 HydrophobicContact CB-CG1 4.27Å; K721-I723 HydrophobicContact CD-CD1 4.46Å; K721-I723 PolarHBondContact O-N 3.15Å
722	N	90.4	Very high	91.8	Very high	51 Å²	51	27.1 Å²	27.1	27%	0.273	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	25.3	-174.5	-66.4	-100.5	0	0	0	113.8	L718 H719 F720 I754 I755 G756 E757	L718-N722 PolarHBondContact O-N 3.25Å; H719-N722 PolarHBondContact O-N 2.87Å; H719-N722 VanDerWaalsContact O-N 3.12Å; F720-N722 PolarHBondContact O-N 3.13Å; F720-N722 VanDerWaalsContact O-N 3.11Å; F720-N722 PolarHBondContact O-ND2 3.43Å; N722-I754 HydrophobicContact CB-CG2 4.44Å; N722-I754 CarbonylContact O-C 3.53Å; N722-I754 VanDerWaalsContact O-CA 3.3Å; N722-I754 WeakPolarHBondContact O-CA 3.44Å; N722-I755 PolarHBondContact O-N 2.57Å; N722-G756 WeakPolarHBondContact OD1-CA 3.46Å; N722-E757 WeakPolarHBondContact OD1-CG 3.47Å; N722-E757 PolarHBondContact OD1-N 3.41Å
723	I	91.4	Very high	91.7	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.021	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	135.7	175.4	-63.4	160.2	0	0	0	109	I654 L658 L718 H719 K721 A752 I754	I654-I723 HydrophobicContact CG2-CD1 4.33Å; I654-I723 HydrophobicContact CG2-CG2 4.19Å; L658-I723 HydrophobicContact CD1-CD1 4.48Å; L658-I723 HydrophobicContact CD2-CD1 3.93Å; L658-I723 HydrophobicContact CG-CD1 4.32Å; L718-I723 CarbonylContact C-O 3.5Å; L718-I723 VanDerWaalsContact C-O 3.29Å; L718-I723 HydrophobicContact CB-CB 4.38Å; L718-I723 HydrophobicContact CD2-CB 4.27Å; L718-I723 HydrophobicContact CD2-CG2 4Å; L718-I723 PolarHBondContact O-N 3.42Å; H719-I723 PolarHBondContact CD2-O 2.95Å; K721-I723 HydrophobicContact CB-CD1 3.86Å; K721-I723 HydrophobicContact CB-CG1 4.27Å; K721-I723 HydrophobicContact CD-CD1 4.46Å; K721-I723 PolarHBondContact O-N 3.15Å; I723-A752 HydrophobicContact CG2-CB 4.45Å; I723-I754 HydrophobicContact CG1-CG1 4.09Å
724	V	91.1	Very high	91.6	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	131.4	177.1	-175	0	0	0	0	108.6	C726 A752 R753 I755 R783 D786	V724-C726 PolarHBondContact O-SG 3.15Å; V724-C726 VanDerWaalsContact O-SG 3.35Å; V724-A752 VanDerWaalsContact O-CA 3.27Å; V724-A752 WeakPolarHBondContact O-CA 3.2Å; V724-R753 PolarHBondContact N-O 3.45Å; V724-R753 PolarHBondContact O-N 2.83Å; V724-I755 HydrophobicContact CB-CD1 4.19Å; V724-I755 HydrophobicContact CG2-CB 4.05Å; V724-I755 HydrophobicContact CG2-CD1 4.08Å; V724-I755 HydrophobicContact CG2-CG1 4.26Å; V724-R783 HydrophobicContact CG2-CB 3.94Å; V724-D786 WeakPolarHBondContact CG1-OD1 3.45Å; V724-D786 WeakPolarHBondContact CG1-OD2 3.24Å
725	H	91.3	Very high	91.5	Very high	0 Å²	0	29 Å²	29	0%	0	13%	0.13	C	C	.	.			trans	-71.2	-38.4	-170.8	-163.7	-97.3	0	0	0	113	D727 L728 C747 F749 D786	H725-D727 PolarHBondContact ND1-O 3.25Å; H725-D727 PolarHBondContact O-N 2.95Å; H725-L728 PolarHBondContact ND1-N 3.06Å; H725-C747 PolarHBondContact CE1-O 3.17Å; H725-C747 VanDerWaalsContact CE1-O 3.26Å; H725-C747 PolarHBondContact NE2-O 3.46Å; H725-C747 VanDerWaalsContact NE2-O 3.14Å; H725-F749 AromaticContact CD2-CE1 3.76Å; H725-F749 AromaticContact CD2-CZ 3.94Å; H725-D786 WeakPolarHBondContact CB-OD1 3.3Å; H725-D786 PolarHBondContact N-OD1 3.3Å; H725-D786 VanDerWaalsContact N-OD1 3.14Å; H725-D786 PolarHBondContact N-OD2 3.3Å
726	C	87.4	Confident	91.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.007	15%	0.146	C	C	.	.	S	Bend	trans	67	-13.3	173.1	-55.6	0	0	0	0	117.6	V724 F751 V765 G766 D786	V724-C726 PolarHBondContact O-SG 3.15Å; V724-C726 VanDerWaalsContact O-SG 3.35Å; C726-F751 HydrophobicContact CB-CB 4.05Å; C726-F751 WeakPolarHBondContact CB-O 3.35Å; C726-V765 HydrophobicContact CB-CB 4.37Å; C726-V765 HydrophobicContact CB-CG2 3.84Å; C726-G766 VanDerWaalsContact O-CA 3.31Å; C726-G766 WeakPolarHBondContact O-CA 3.32Å; C726-G766 PolarHBondContact O-N 3.45Å; C726-D786 PolarHBondContact N-OD1 3.35Å
727	D	84.3	Confident	91.3	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	14%	0.139	C	C	.	.			trans	-143.6	58.5	169.6	-170.4	42.8	0	0	0	110.4	H725 K729 N732 F751 G766 T767	H725-D727 PolarHBondContact ND1-O 3.25Å; H725-D727 PolarHBondContact O-N 2.95Å; D727-K729 IonicContact OD1-NZ 3.33Å; D727-K729 IonicContact OD2-NZ 3.12Å; D727-K729 PolarHBondContact OD2-NZ 3.12Å; D727-N732 PolarHBondContact O-ND2 3.44Å; D727-N732 PolarHBondContact OD2-ND2 3.15Å; D727-F751 HydrophobicContact CB-CB 4.18Å; D727-F751 HydrophobicContact CB-CD2 3.43Å; D727-F751 VanDerWaalsContact CB-CD2 3.43Å; D727-F751 HydrophobicContact CB-CE2 4.18Å; D727-F751 HydrophobicContact CB-CG 4.13Å; D727-G766 WeakPolarHBondContact OD1-CA 3.47Å; D727-T767 WeakPolarHBondContact OD1-CB 3.42Å; D727-T767 PolarHBondContact OD1-N 3.48Å; D727-T767 PolarHBondContact OD1-OG1 2.94Å
728	L	90.3	Very high	91	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.005	16%	0.16	C	C	.	.			trans	-81.9	126.6	175.3	-171.6	73.7	0	0	0	109.7	I711 L715 H725 V733 L746 S789 V790 I793	I711-L728 HydrophobicContact CG2-CD2 4.15Å; L715-L728 HydrophobicContact CD1-CD2 4.01Å; L715-L728 HydrophobicContact CD2-CD2 4.4Å; H725-L728 PolarHBondContact ND1-N 3.06Å; L728-V733 HydrophobicContact CD1-CG2 4.36Å; L728-L746 HydrophobicContact CD1-CD1 4.19Å; L728-L746 HydrophobicContact CD1-CD2 3.74Å; L728-S789 WeakPolarHBondContact O-CB 3.3Å; L728-V790 HydrophobicContact CD2-CG2 3.65Å; L728-I793 HydrophobicContact CD2-CD1 4.03Å; L728-I793 HydrophobicContact CG-CD1 3.76Å
729	K	84.8	Confident	90.9	Very high	22 Å²	22	33.7 Å²	33.7	10%	0.096	18%	0.183	C	C	.	.			trans	-163	161.6	-177.8	63	-172	-172.3	-125	0	109.3	D727 E731 N732 V733 T767 Y770	D727-K729 IonicContact OD1-NZ 3.33Å; D727-K729 IonicContact OD2-NZ 3.12Å; D727-K729 PolarHBondContact OD2-NZ 3.12Å; K729-E731 WeakPolarHBondContact CB-OE2 3.47Å; K729-E731 HydrophobicContact CD-CB 4.46Å; K729-E731 WeakPolarHBondContact CD-OE1 3.43Å; K729-E731 HydrophobicContact CG-CB 4.28Å; K729-E731 WeakPolarHBondContact CG-OE2 3.49Å; K729-E731 PolarHBondContact O-N 3.37Å; K729-N732 WeakPolarHBondContact CE-OD1 3.46Å; K729-N732 HydrophobicContact CG-CB 4.04Å; K729-N732 PolarHBondContact NZ-ND2 3.38Å; K729-N732 WeakPolarHBondContact O-CA 3.45Å; K729-N732 PolarHBondContact O-N 2.94Å; K729-V733 WeakPolarHBondContact O-CG2 3.22Å; K729-V733 PolarHBondContact O-N 2.93Å; K729-T767 HydrophobicContact CD-CG2 4.44Å; K729-T767 PolarHBondContact NZ-OG1 3.46Å; K729-Y770 HydrophobicContact CB-CD1 4.16Å; K729-Y770 HydrophobicContact CB-CD2 3.82Å; K729-Y770 HydrophobicContact CB-CE1 4.07Å; K729-Y770 HydrophobicContact CB-CE2 3.67Å; K729-Y770 HydrophobicContact CB-CG 4.06Å; K729-Y770 HydrophobicContact CD-CE2 4.48Å
730	P	83.4	Confident	90.6	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-57.5	-32.2	-176.8	-23.5	35.3	0	0	0	114.1	M687 L688 I691 N732 V733 Y770 I793	M687-P730 HydrophobicContact CB-CB 3.99Å; M687-P730 WeakPolarHBondContact CB-O 3.27Å; M687-P730 HydrophobicContact CG-CB 4.29Å; M687-P730 PolarHBondContact N-O 3.15Å; M687-P730 HydrophobicContact SD-CB 4.43Å; L688-P730 HydrophobicContact CB-CB 4.03Å; I691-P730 HydrophobicContact CD1-CB 4.22Å; I691-P730 HydrophobicContact CD1-CG 4.32Å; P730-N732 PolarHBondContact O-N 3.21Å; P730-V733 PolarHBondContact O-N 3.46Å; P730-V733 VanDerWaalsContact O-N 3.15Å; P730-Y770 VanDerWaalsContact CD-CZ 3.47Å; P730-Y770 WeakPolarHBondContact CD-OH 3.41Å; P730-Y770 HydrophobicContact CG-CE1 4.37Å; P730-I793 HydrophobicContact CG-CG1 4.09Å; P730-I793 HydrophobicContact CG-CG2 4.41Å
731	E	84.4	Confident	90.7	Very high	60 Å²	60	32.3 Å²	32.3	28%	0.28	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-65.2	-24.8	174.8	-48.4	96.8	103.7	0	0	113.3	L688 K729	L688-E731 HydrophobicContact CB-CG 4.13Å; L688-E731 HydrophobicContact CD2-CG 3.64Å; K729-E731 WeakPolarHBondContact CB-OE2 3.47Å; K729-E731 HydrophobicContact CD-CB 4.46Å; K729-E731 WeakPolarHBondContact CD-OE1 3.43Å; K729-E731 HydrophobicContact CG-CB 4.28Å; K729-E731 WeakPolarHBondContact CG-OE2 3.49Å; K729-E731 PolarHBondContact O-N 3.37Å
732	N	90.8	Very high	90.9	Very high	11 Å²	11	28.2 Å²	28.2	6%	0.059	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-98.7	11.7	178.3	-69.4	3.4	0	0	0	112.1	D727 K729 P730 C747	D727-N732 PolarHBondContact O-ND2 3.44Å; D727-N732 PolarHBondContact OD2-ND2 3.15Å; K729-N732 WeakPolarHBondContact CE-OD1 3.46Å; K729-N732 HydrophobicContact CG-CB 4.04Å; K729-N732 PolarHBondContact NZ-ND2 3.38Å; K729-N732 WeakPolarHBondContact O-CA 3.45Å; K729-N732 PolarHBondContact O-N 2.94Å; P730-N732 PolarHBondContact O-N 3.21Å; N732-C747 PolarHBondContact O-N 3.47Å
733	V	94.8	Very high	91.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	96.2	176	177.3	0	0	0	0	107.2	M687 I711 L728 K729 P730 V744 L746	M687-V733 HydrophobicContact CB-CB 3.92Å; M687-V733 HydrophobicContact CB-CG1 3.93Å; M687-V733 HydrophobicContact CG-CG1 4.44Å; M687-V733 PolarHBondContact N-O 2.89Å; M687-V733 HydrophobicContact SD-CB 4.28Å; M687-V733 HydrophobicContact SD-CG1 3.9Å; I711-V733 HydrophobicContact CD1-CG1 3.94Å; I711-V733 HydrophobicContact CD1-CG2 4.08Å; I711-V733 HydrophobicContact CG1-CG1 4.12Å; I711-V733 HydrophobicContact CG1-CG2 4.4Å; L728-V733 HydrophobicContact CD1-CG2 4.36Å; K729-V733 WeakPolarHBondContact O-CG2 3.22Å; K729-V733 PolarHBondContact O-N 2.93Å; P730-V733 PolarHBondContact O-N 3.46Å; P730-V733 VanDerWaalsContact O-N 3.15Å; V733-V744 HydrophobicContact CG1-CG1 3.49Å; V733-V744 VanDerWaalsContact CG1-CG1 3.49Å; V733-L746 HydrophobicContact CG2-CD2 3.95Å
734	L	95.5	Very high	91.6	Very high	33 Å²	33	26.3 Å²	26.3	17%	0.173	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	156.1	-175.4	-55	-175.8	0	0	0	112.2	L683 G685 D686 V744 K745 C747	L683-L734 HydrophobicContact CB-CB 3.91Å; L683-L734 HydrophobicContact CB-CD1 4.16Å; L683-L734 HydrophobicContact CD2-CB 4.44Å; L683-L734 HydrophobicContact CD2-CD1 3.7Å; L683-L734 HydrophobicContact CG-CB 3.75Å; L683-L734 HydrophobicContact CG-CD1 3.91Å; G685-L734 WeakPolarHBondContact O-CA 3.45Å; D686-L734 HydrophobicContact CB-CD2 3.83Å; L734-V744 CarbonylContact O-C 3.51Å; L734-V744 WeakPolarHBondContact O-CA 3.4Å; L734-K745 PolarHBondContact N-O 3.2Å; L734-K745 PolarHBondContact O-N 3.34Å; L734-C747 HydrophobicContact CD1-CB 3.67Å; L734-C747 HydrophobicContact CG-CB 3.97Å; L734-C747 VanDerWaalsContact CG-SG 3.57Å
735	L	96.3	Very high	91.9	Very high	7 Å²	7	27.2 Å²	27.2	4%	0.037	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	127	-174.7	-51.8	174.8	0	0	0	109.7	H684 G685 M690 L707 S737 P742 Q743 V744	H684-L735 WeakPolarHBondContact CB-O 3.22Å; H684-L735 PolarHBondContact N-O 3.26Å; G685-L735 PolarHBondContact O-N 2.91Å; M690-L735 HydrophobicContact CB-CD1 3.86Å; M690-L735 HydrophobicContact CE-CD1 3.83Å; M690-L735 HydrophobicContact CG-CD1 4.38Å; M690-L735 HydrophobicContact SD-CD1 4.1Å; L707-L735 HydrophobicContact CD2-CD2 4.33Å; L735-S737 VanDerWaalsContact C-N 3.31Å; L735-S737 PolarHBondContact O-N 3.15Å; L735-P742 HydrophobicContact CB-CG 4.34Å; L735-P742 HydrophobicContact CD2-CG 4.08Å; L735-Q743 WeakPolarHBondContact CA-O 3.47Å; L735-V744 HydrophobicContact CD2-CG2 4.2Å
736	A	95.4	Very high	92.1	Very high	40 Å²	40	27.2 Å²	27.2	33%	0.331	16%	0.162	S	C	.	.	S	Bend	trans	-70.5	-24.5	-176.2	0	0	0	0	0	114.2	L683 Q743	L683-A736 HydrophobicContact CD1-CB 4.33Å; A736-Q743 HydrophobicContact CB-CB 3.84Å; A736-Q743 PolarHBondContact N-O 3.19Å
737	S	94.6	Very high	92.3	Very high	31 Å²	31	27.9 Å²	27.9	22%	0.217	17%	0.167	C	C	.	.	S	Bend	trans	-148.9	173.2	-175	65.1	0	0	0	0	112.1	L735 D739	L735-S737 VanDerWaalsContact C-N 3.31Å; L735-S737 PolarHBondContact O-N 3.15Å; S737-D739 WeakPolarHBondContact CB-OD2 3.42Å; S737-D739 WeakPolarHBondContact OG-CB 3.11Å; S737-D739 VanDerWaalsContact OG-CG 3.28Å; S737-D739 PolarHBondContact OG-N 3.34Å; S737-D739 PolarHBondContact OG-OD2 3.43Å
738	A	90.8	Very high	92.2	Very high	78 Å²	78	29 Å²	29	65%	0.645	17%	0.173	S	C	*	.	S	Bend	trans	-84	8.3	171.8	0	0	0	0	0	113.3	H684	H684-A738 WeakPolarHBondContact NE2-CB 3.27Å
739	D	92.8	Very high	91.9	Very high	92 Å²	92	29 Å²	29	49%	0.492	17%	0.173	S	C	.	.	S	Bend	trans	-67.1	152.6	-175.5	-63.5	-53.6	0	0	0	111.3	S737 F741 P742	S737-D739 WeakPolarHBondContact CB-OD2 3.42Å; S737-D739 WeakPolarHBondContact OG-CB 3.11Å; S737-D739 VanDerWaalsContact OG-CG 3.28Å; S737-D739 PolarHBondContact OG-N 3.34Å; S737-D739 PolarHBondContact OG-OD2 3.43Å; D739-F741 PolarHBondContact O-N 3.38Å; D739-F741 VanDerWaalsContact O-N 3.11Å; D739-P742 VanDerWaalsContact O-CD 3.31Å; D739-P742 WeakPolarHBondContact O-CD 3.36Å
740	P	87.7	Confident	91.4	Very high	97 Å²	97	28.1 Å²	28.1	63%	0.63	17%	0.17	S	C	*	.	S	Bend	trans	-60.7	-21.8	176.4	-24.4	34.8	0	0	0	114.3	L703	L703-P740 VanDerWaalsContact CD1-O 3.24Å; L703-P740 WeakPolarHBondContact CD1-O 3.35Å
741	F	95.3	Very high	91	Very high	60 Å²	60	28.8 Å²	28.8	26%	0.263	17%	0.173	S	C	.	.	S	Bend	trans	-135	75.4	179	-70	-82	0	0	0	109.6	R702 L703 F706 D739 D868	R702-F741 HydrophobicContact CG-CE1 4.05Å; R702-F741 HydrophobicContact CG-CZ 3.98Å; L703-F741 HydrophobicContact CD1-CD1 4.06Å; L703-F741 HydrophobicContact CD1-CE1 4.24Å; F706-F741 HydrophobicContact CB-CD1 4.13Å; F706-F741 HydrophobicContact CB-CE1 4.34Å; F706-F741 HydrophobicContact CD1-CB 4.33Å; F706-F741 AromaticContact CD1-CD1 3.75Å; F706-F741 HydrophobicContact CD1-CD1 3.75Å; F706-F741 AromaticContact CD2-CD1 3.99Å; F706-F741 HydrophobicContact CD2-CD1 3.99Å; F706-F741 VanDerWaalsContact CE1-C 3.42Å; F706-F741 HydrophobicContact CE1-CB 3.74Å; F706-F741 HydrophobicContact CE1-CD1 4.04Å; F706-F741 HydrophobicContact CE1-CG 4.42Å; F706-F741 HydrophobicContact CE2-CB 4.17Å; F706-F741 HydrophobicContact CE2-CD1 4.28Å; F706-F741 AromaticContact CG-CD1 3.71Å; F706-F741 HydrophobicContact CG-CD1 3.71Å; F706-F741 HydrophobicContact CG-CE1 4.39Å; F706-F741 HydrophobicContact CZ-CB 3.65Å; F706-F741 HydrophobicContact CZ-CD1 4.3Å; F706-F741 HydrophobicContact CZ-CG 4.49Å; D739-F741 PolarHBondContact O-N 3.38Å; D739-F741 VanDerWaalsContact O-N 3.11Å; F741-D868 HydrophobicContact CD1-CB 4.42Å; F741-D868 WeakPolarHBondContact CE1-OD2 3.42Å
742	P	96.8	Very high	90.8	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-88.6	162.2	-171.7	36.5	-34.4	0	0	0	112.6	M690 F706 Q710 L735 D739	M690-P742 HydrophobicContact CE-CG 3.79Å; F706-P742 VanDerWaalsContact CE1-O 3.27Å; F706-P742 WeakPolarHBondContact CE1-O 3.29Å; Q710-P742 PolarHBondContact NE2-O 3.24Å; L735-P742 HydrophobicContact CB-CG 4.34Å; L735-P742 HydrophobicContact CD2-CG 4.08Å; D739-P742 VanDerWaalsContact O-CD 3.31Å; D739-P742 WeakPolarHBondContact O-CD 3.36Å
743	Q	97.9	Very high	90.4	Very high	14 Å²	14	27.2 Å²	27.2	7%	0.065	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-66.7	134.3	167.2	-173.5	179.9	45	0	0	110.5	L661 L735 A736 L872 L876 Y880	L661-Q743 PolarHBondContact O-NE2 2.84Å; L735-Q743 WeakPolarHBondContact CA-O 3.47Å; A736-Q743 HydrophobicContact CB-CB 3.84Å; A736-Q743 PolarHBondContact N-O 3.19Å; Q743-L872 HydrophobicContact CB-CD1 4.13Å; Q743-L876 HydrophobicContact CG-CD1 4.33Å; Q743-L876 VanDerWaalsContact NE2-CD1 3.31Å; Q743-Y880 PolarHBondContact NE2-OH 2.79Å
744	V	97.6	Very high	89.8	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	136.8	173.4	170.4	0	0	0	0	110.7	G662 L707 Q710 I711 V733 L734 L735	G662-V744 WeakPolarHBondContact CA-O 3.49Å; L707-V744 HydrophobicContact CB-CG2 4.35Å; L707-V744 HydrophobicContact CD2-CG2 3.36Å; L707-V744 HydrophobicContact CG-CG2 4.44Å; Q710-V744 HydrophobicContact CB-CB 3.88Å; Q710-V744 HydrophobicContact CB-CG2 4.22Å; I711-V744 HydrophobicContact CG1-CG1 3.98Å; V733-V744 HydrophobicContact CG1-CG1 3.49Å; V733-V744 VanDerWaalsContact CG1-CG1 3.49Å; L734-V744 CarbonylContact O-C 3.51Å; L734-V744 WeakPolarHBondContact O-CA 3.4Å; L735-V744 HydrophobicContact CD2-CG2 4.2Å
745	K	97.6	Very high	89	Confident	18 Å²	18	31.4 Å²	31.4	8%	0.078	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	129.7	170.4	-63.2	-165.5	-178.9	-179.6	0	112.4	L661 G662 E681 L683 L734	L661-K745 VanDerWaalsContact O-CE 3.27Å; L661-K745 WeakPolarHBondContact O-CE 3.37Å; L661-K745 WeakPolarHBondContact O-CG 3.5Å; G662-K745 WeakPolarHBondContact O-CA 3.41Å; E681-K745 VanDerWaalsContact OE1-CD 3.29Å; E681-K745 WeakPolarHBondContact OE1-CD 3.13Å; E681-K745 IonicContact OE1-NZ 2.79Å; E681-K745 PolarHBondContact OE1-NZ 3.16Å; E681-K745 IonicContact OE2-NZ 3.17Å; E681-K745 PolarHBondContact OE2-NZ 3.04Å; L683-K745 HydrophobicContact CD1-CD 4.21Å; L734-K745 PolarHBondContact N-O 3.2Å; L734-K745 PolarHBondContact O-N 3.34Å
746	L	96.3	Very high	87.2	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	142.7	175	-57.4	-172.7	0	0	0	111.7	G662 V664 I711 A714 L715 L718 L728 V733	G662-L746 PolarHBondContact O-N 3.32Å; V664-L746 WeakPolarHBondContact CG1-O 3.46Å; V664-L746 PolarHBondContact N-O 3.45Å; I711-L746 HydrophobicContact CG1-CD2 4.4Å; I711-L746 HydrophobicContact CG2-CD2 4.45Å; A714-L746 HydrophobicContact CB-CD1 3.68Å; A714-L746 HydrophobicContact CB-CG 3.93Å; L715-L746 HydrophobicContact CD2-CD1 4.26Å; L715-L746 HydrophobicContact CG-CD1 4.49Å; L718-L746 HydrophobicContact CD1-CD1 4.23Å; L728-L746 HydrophobicContact CD1-CD1 4.19Å; L728-L746 HydrophobicContact CD1-CD2 3.74Å; V733-L746 HydrophobicContact CG2-CD2 3.95Å
747	C	90.8	Very high	85.2	Confident	15 Å²	15	36.8 Å²	36.8	10%	0.101	21%	0.213	C	C	.	.			trans	-142.6	176.5	-177.7	83.1	0	0	0	0	114.4	V664 H725 N732 L734	V664-C747 HydrophobicContact CB-CB 4.34Å; V664-C747 HydrophobicContact CG1-CB 3.97Å; H725-C747 PolarHBondContact CE1-O 3.17Å; H725-C747 VanDerWaalsContact CE1-O 3.26Å; H725-C747 PolarHBondContact NE2-O 3.46Å; H725-C747 VanDerWaalsContact NE2-O 3.14Å; N732-C747 PolarHBondContact O-N 3.47Å; L734-C747 HydrophobicContact CD1-CB 3.67Å; L734-C747 HydrophobicContact CG-CB 3.97Å; L734-C747 VanDerWaalsContact CG-SG 3.57Å
748	D	82.7	Confident	83	Confident	28 Å²	28	44.7 Å²	44.7	15%	0.15	24%	0.243	C	C	.	.			trans	57.7	62.7	-177.5	-158.4	33.4	0	0	0	115	K633 G750	K633-D748 IonicContact NZ-OD1 3.17Å; K633-D748 PolarHBondContact NZ-OD1 3.14Å; D748-G750 PolarHBondContact O-N 3.23Å
749	F	84.9	Confident	80.6	Confident	1 Å²	1	43.8 Å²	43.8	0%	0.004	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-70.6	11.7	178.9	-74.8	-100.8	0	0	0	114.2	E651 I654 L655 L658 I663 L718 H725 F751 A752	E651-F749 HydrophobicContact CG-CB 3.99Å; I654-F749 HydrophobicContact CG2-CD1 3.8Å; I654-F749 HydrophobicContact CG2-CE1 4.48Å; I654-F749 HydrophobicContact CG2-CG 4.47Å; L655-F749 HydrophobicContact CD2-CB 4.41Å; L655-F749 HydrophobicContact CD2-CD2 3.55Å; L655-F749 HydrophobicContact CD2-CE2 3.98Å; L655-F749 HydrophobicContact CD2-CG 4.01Å; L655-F749 HydrophobicContact CG-CB 4.28Å; L655-F749 HydrophobicContact CG-CD2 4.32Å; L655-F749 HydrophobicContact CG-CG 4.38Å; L658-F749 HydrophobicContact CD1-CD1 4.24Å; L658-F749 HydrophobicContact CD1-CE1 3.76Å; L658-F749 HydrophobicContact CD1-CZ 4.16Å; I663-F749 HydrophobicContact CG2-CE2 3.89Å; I663-F749 HydrophobicContact CG2-CZ 3.76Å; L718-F749 HydrophobicContact CD1-CE1 3.93Å; L718-F749 HydrophobicContact CD1-CZ 4.22Å; L718-F749 HydrophobicContact CD2-CE1 3.79Å; L718-F749 HydrophobicContact CD2-CZ 4.31Å; H725-F749 AromaticContact CD2-CE1 3.76Å; H725-F749 AromaticContact CD2-CZ 3.94Å; F749-F751 PolarHBondContact O-N 3.4Å; F749-F751 VanDerWaalsContact O-N 3.08Å; F749-A752 HydrophobicContact CB-CB 4.01Å; F749-A752 HydrophobicContact CD1-CB 3.69Å; F749-A752 HydrophobicContact CG-CB 4.31Å; F749-A752 VanDerWaalsContact O-CB 3.28Å; F749-A752 WeakPolarHBondContact O-CB 3.35Å; F749-A752 PolarHBondContact O-N 2.92Å
750	G	73.9	Confident	78.4	Confident	4 Å²	4	45 Å²	45	4%	0.041	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-63	-14.3	-178.3	0	0	0	0	0	115.4	E651 D748	E651-G750 VanDerWaalsContact OE2-CA 3.26Å; E651-G750 WeakPolarHBondContact OE2-CA 3.29Å; D748-G750 PolarHBondContact O-N 3.23Å
751	F	73.4	Confident	76.5	Confident	14 Å²	14	45.6 Å²	45.6	6%	0.061	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-106.2	-8.4	169.4	-62.8	-65.2	0	0	0	114.3	Q614 C726 D727 F749 R753 V765	Q614-F751 HydrophobicContact CB-CZ 4.35Å; C726-F751 HydrophobicContact CB-CB 4.05Å; C726-F751 WeakPolarHBondContact CB-O 3.35Å; D727-F751 HydrophobicContact CB-CB 4.18Å; D727-F751 HydrophobicContact CB-CD2 3.43Å; D727-F751 VanDerWaalsContact CB-CD2 3.43Å; D727-F751 HydrophobicContact CB-CE2 4.18Å; D727-F751 HydrophobicContact CB-CG 4.13Å; F749-F751 PolarHBondContact O-N 3.4Å; F749-F751 VanDerWaalsContact O-N 3.08Å; F751-R753 WeakPolarHBondContact O-CG 3.43Å; F751-V765 HydrophobicContact CD1-CG1 4.37Å
752	A	82.1	Confident	73.9	Confident	4 Å²	4	51.7 Å²	51.7	3%	0.033	24%	0.244	C	C	.	.			trans	-66.2	145.2	-171.9	0	0	0	0	0	111.9	I654 I723 V724 F749	I654-A752 HydrophobicContact CD1-CB 4.05Å; I654-A752 WeakPolarHBondContact CD1-O 3.32Å; I723-A752 HydrophobicContact CG2-CB 4.45Å; V724-A752 VanDerWaalsContact O-CA 3.27Å; V724-A752 WeakPolarHBondContact O-CA 3.2Å; F749-A752 HydrophobicContact CB-CB 4.01Å; F749-A752 HydrophobicContact CD1-CB 3.69Å; F749-A752 HydrophobicContact CG-CB 4.31Å; F749-A752 VanDerWaalsContact O-CB 3.28Å; F749-A752 WeakPolarHBondContact O-CB 3.35Å; F749-A752 PolarHBondContact O-N 2.92Å
753	R	82.3	Confident	71.3	Confident	34 Å²	34	53.4 Å²	53.4	13%	0.128	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	144.4	-177.1	-55.3	-167.1	-173.2	-65.6	-7.3	111.5	V724 F751 I755	V724-R753 PolarHBondContact N-O 3.45Å; V724-R753 PolarHBondContact O-N 2.83Å; F751-R753 WeakPolarHBondContact O-CG 3.43Å; R753-I755 HydrophobicContact CB-CD1 4.32Å; R753-I755 HydrophobicContact CB-CG1 4.05Å; R753-I755 PolarHBondContact O-N 2.87Å
754	I	81.7	Confident	69.1	Low	111 Å²	111	56.8 Å²	56.8	57%	0.569	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	122.1	163.1	-56.2	172.3	0	0	0	107.7	N722 I723	N722-I754 HydrophobicContact CB-CG2 4.44Å; N722-I754 CarbonylContact O-C 3.53Å; N722-I754 VanDerWaalsContact O-CA 3.3Å; N722-I754 WeakPolarHBondContact O-CA 3.44Å; I723-I754 HydrophobicContact CG1-CG1 4.09Å
755	I	77.9	Confident	66.8	Low	10 Å²	10	57 Å²	57	5%	0.051	28%	0.279	C	S	.	.			trans	-137.9	101.3	178.5	-53.4	-179.8	0	0	0	107.5	N722 V724 R753 R761 Y781	N722-I755 PolarHBondContact O-N 2.57Å; V724-I755 HydrophobicContact CB-CD1 4.19Å; V724-I755 HydrophobicContact CG2-CB 4.05Å; V724-I755 HydrophobicContact CG2-CD1 4.08Å; V724-I755 HydrophobicContact CG2-CG1 4.26Å; R753-I755 HydrophobicContact CB-CD1 4.32Å; R753-I755 HydrophobicContact CB-CG1 4.05Å; R753-I755 PolarHBondContact O-N 2.87Å; I755-R761 HydrophobicContact CD1-CB 4.31Å; I755-R761 HydrophobicContact CD1-CG 3.86Å; I755-R761 HydrophobicContact CG1-CG 4.19Å; I755-Y781 HydrophobicContact CD1-CD2 3.93Å; I755-Y781 HydrophobicContact CD1-CE2 3.45Å; I755-Y781 VanDerWaalsContact CD1-CE2 3.45Å
756	G	59.8	Low	64.6	Low	32 Å²	32	56.9 Å²	56.9	33%	0.33	28%	0.283	S	S	.	.			trans	-60.5	152.8	176.9	0	0	0	0	0	112.9	N722 K758 S759	N722-G756 WeakPolarHBondContact OD1-CA 3.46Å; G756-K758 PolarHBondContact O-N 3.18Å; G756-S759 WeakPolarHBondContact O-CB 3.49Å; G756-S759 PolarHBondContact O-N 3.31Å
757	E	51.5	Low	62.6	Low	128 Å²	128	58.9 Å²	58.9	60%	0.598	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-23.9	-167.6	-54.1	-161.4	114	0	0	117.3	N722 R783	N722-E757 WeakPolarHBondContact OD1-CG 3.47Å; N722-E757 PolarHBondContact OD1-N 3.41Å; E757-R783 IonicContact OE1-CZ 3.06Å; E757-R783 IonicContact OE1-NH1 3.73Å; E757-R783 PolarHBondContact OE1-NH1 3.25Å; E757-R783 IonicContact OE1-NH2 3.33Å; E757-R783 PolarHBondContact OE1-NH2 3.45Å
758	K	49	Very low	61	Low	196 Å²	196	58.9 Å²	58.9	85%	0.852	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	5.9	179	-62.4	176.2	-176.7	171.8	0	113.4	G756	G756-K758 PolarHBondContact O-N 3.18Å
759	S	41.4	Very low	60	Low	59 Å²	59	58 Å²	58	41%	0.413	29%	0.291	S	S	.	.			trans	-97.1	150.1	-174.8	-168	0	0	0	0	112.3	G756	G756-S759 WeakPolarHBondContact O-CB 3.49Å; G756-S759 PolarHBondContact O-N 3.31Å
760	F	45.3	Very low	59.2	Low	117 Å²	117	58.3 Å²	58.3	51%	0.513	29%	0.293	S	S	.	.			trans	-136.4	123.8	-175.2	-71.9	-84	0	0	0	110.7	G780	F760-G780 WeakPolarHBondContact CD1-O 3.45Å
761	R	48.8	Very low	59.3	Low	110 Å²	110	59 Å²	59	42%	0.415	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-100.4	134.6	180	-83.3	-82.7	-168.4	160.9	0.5	112.2	I755 G780 Y781	I755-R761 HydrophobicContact CD1-CB 4.31Å; I755-R761 HydrophobicContact CD1-CG 3.86Å; I755-R761 HydrophobicContact CG1-CG 4.19Å; R761-G780 CarbonylContact O-C 3.56Å; R761-G780 VanDerWaalsContact O-CA 3.23Å; R761-G780 WeakPolarHBondContact O-CA 3.48Å; R761-Y781 HydrophobicContact CB-CD1 3.88Å; R761-Y781 HydrophobicContact CB-CD2 4.43Å; R761-Y781 HydrophobicContact CB-CE1 3.39Å; R761-Y781 HydrophobicContact CB-CE2 4.04Å; R761-Y781 HydrophobicContact CB-CG 4.36Å; R761-Y781 VanDerWaalsContact CB-CZ 3.49Å; R761-Y781 PolarHBondContact N-O 3.36Å; R761-Y781 VanDerWaalsContact N-O 3.14Å; R761-Y781 WeakPolarHBondContact O-CD1 3.27Å; R761-Y781 WeakPolarHBondContact O-CE1 3.4Å; R761-Y781 PolarHBondContact O-N 3.31Å
762	R	41	Very low	59.6	Low	188 Å²	188	58.3 Å²	58.3	71%	0.709	29%	0.292	S	S	*	.			trans	-110.7	67.3	178	-64.6	-169.2	-172.1	154.6	2.6	111.5	N778	R762-N778 VanDerWaalsContact CA-OD1 3.32Å; R762-N778 WeakPolarHBondContact CA-OD1 3.45Å; R762-N778 WeakPolarHBondContact CB-OD1 3.19Å; R762-N778 WeakPolarHBondContact CG-O 2.99Å; R762-N778 PolarHBondContact O-OD1 3.18Å
763	S	41.9	Very low	59.6	Low	37 Å²	37	58.1 Å²	58.1	26%	0.259	29%	0.291	S	S	.	.			trans	-148.9	124.7	-176.2	57.1	0	0	0	0	112.1	V765 Y781	S763-V765 PolarHBondContact O-N 3.04Å; S763-Y781 WeakPolarHBondContact O-CE1 3.35Å; S763-Y781 PolarHBondContact OG-OH 3.22Å
764	V	51	Low	59.6	Low	85 Å²	85	56.8 Å²	56.8	52%	0.515	29%	0.286	S	S	.	.			trans	-69.8	115	-178.4	-175.1	0	0	0	0	111.3	R191 V775	R191-V764 PolarHBondContact NH2-O 3Å; V764-V775 HydrophobicContact CG1-CG1 4.33Å
765	V	50.5	Low	59.4	Low	7 Å²	7	51.6 Å²	51.6	4%	0.042	26%	0.259	C	S	.	.			trans	-138.4	155.8	-179.7	-68.1	0	0	0	0	109	C726 F751 S763 L771 Y781 L785	C726-V765 HydrophobicContact CB-CB 4.37Å; C726-V765 HydrophobicContact CB-CG2 3.84Å; F751-V765 HydrophobicContact CD1-CG1 4.37Å; S763-V765 PolarHBondContact O-N 3.04Å; V765-L771 WeakPolarHBondContact O-CD2 3.34Å; V765-Y781 HydrophobicContact CG2-CE1 4.12Å; V765-Y781 HydrophobicContact CG2-CE2 4.4Å; V765-L785 HydrophobicContact CG2-CD1 4.5Å
766	G	51	Low	59.1	Low	15 Å²	15	53.6 Å²	53.6	16%	0.155	27%	0.27	C	S	.	.	S	Bend	trans	97.1	168.8	-179.5	0	0	0	0	0	114.9	C726 D727	C726-G766 VanDerWaalsContact O-CA 3.31Å; C726-G766 WeakPolarHBondContact O-CA 3.32Å; C726-G766 PolarHBondContact O-N 3.45Å; D727-G766 WeakPolarHBondContact OD1-CA 3.47Å
767	T	53.3	Low	59.5	Low	41 Å²	41	55.2 Å²	55.2	25%	0.252	27%	0.271	S	S	.	.			trans	-93.7	132	-179.1	-57.8	0	0	0	0	110.6	D727 K729 A769 Y770 L771	D727-T767 WeakPolarHBondContact OD1-CB 3.42Å; D727-T767 PolarHBondContact OD1-N 3.48Å; D727-T767 PolarHBondContact OD1-OG1 2.94Å; K729-T767 HydrophobicContact CD-CG2 4.44Å; K729-T767 PolarHBondContact NZ-OG1 3.46Å; T767-A769 PolarHBondContact O-N 2.79Å; T767-Y770 HydrophobicContact CG2-CD2 4.04Å; T767-Y770 HydrophobicContact CG2-CE2 4.34Å; T767-Y770 WeakPolarHBondContact O-CA 3.27Å; T767-Y770 PolarHBondContact O-N 3.31Å; T767-L771 PolarHBondContact O-N 2.89Å
768	P	58.4	Low	60.2	Low	15 Å²	15	53 Å²	53	10%	0.097	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-48.1	-52	-163.1	-36.5	40.1	0	0	0	118.1	L189 V190 Y770 L771	L189-P768 HydrophobicContact CB-CB 3.73Å; L189-P768 HydrophobicContact CB-CG 3.74Å; L189-P768 HydrophobicContact CD1-CB 3.8Å; L189-P768 HydrophobicContact CG-CB 4.44Å; V190-P768 HydrophobicContact CB-CG 3.33Å; V190-P768 HydrophobicContact CG1-CG 4.39Å; V190-P768 HydrophobicContact CG2-CB 4.39Å; V190-P768 HydrophobicContact CG2-CG 3.35Å; P768-Y770 PolarHBondContact O-N 2.98Å; P768-L771 WeakPolarHBondContact O-CB 3.36Å; P768-L771 PolarHBondContact O-N 3.19Å
769	A	60	Low	60.7	Low	9 Å²	9	49.4 Å²	49.4	7%	0.074	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-63.8	-13.3	-178	0	0	0	0	0	113.6	T767 V792 F802	T767-A769 PolarHBondContact O-N 2.79Å; A769-V792 WeakPolarHBondContact O-CG1 3.12Å; A769-F802 HydrophobicContact CB-CD1 3.58Å; A769-F802 HydrophobicContact CB-CE1 3.61Å; A769-F802 HydrophobicContact CB-CG 4.26Å; A769-F802 HydrophobicContact CB-CZ 4.31Å
770	Y	69.7	Low	61.8	Low	9 Å²	9	46.6 Å²	46.6	4%	0.035	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-109.2	3.8	178.4	-52.6	-84.9	0	0	0	113.2	K729 P730 T767 P768 S789 V792 I793 F802	K729-Y770 HydrophobicContact CB-CD1 4.16Å; K729-Y770 HydrophobicContact CB-CD2 3.82Å; K729-Y770 HydrophobicContact CB-CE1 4.07Å; K729-Y770 HydrophobicContact CB-CE2 3.67Å; K729-Y770 HydrophobicContact CB-CG 4.06Å; K729-Y770 HydrophobicContact CD-CE2 4.48Å; P730-Y770 VanDerWaalsContact CD-CZ 3.47Å; P730-Y770 WeakPolarHBondContact CD-OH 3.41Å; P730-Y770 HydrophobicContact CG-CE1 4.37Å; T767-Y770 HydrophobicContact CG2-CD2 4.04Å; T767-Y770 HydrophobicContact CG2-CE2 4.34Å; T767-Y770 WeakPolarHBondContact O-CA 3.27Å; T767-Y770 PolarHBondContact O-N 3.31Å; P768-Y770 PolarHBondContact O-N 2.98Å; Y770-S789 PolarHBondContact O-OG 3.48Å; Y770-V792 HydrophobicContact CD1-CB 3.87Å; Y770-V792 HydrophobicContact CD1-CG1 3.4Å; Y770-V792 VanDerWaalsContact CD1-CG1 3.4Å; Y770-V792 HydrophobicContact CE1-CB 4.45Å; Y770-V792 HydrophobicContact CE1-CG1 3.68Å; Y770-V792 HydrophobicContact CG-CG1 4.29Å; Y770-I793 HydrophobicContact CD1-CG1 4.49Å; Y770-I793 HydrophobicContact CE1-CG1 4.32Å; Y770-F802 HydrophobicContact CE1-CE1 4.16Å; Y770-F802 HydrophobicContact CE2-CE1 4.08Å; Y770-F802 AromaticContact CZ-CE1 3.66Å; Y770-F802 WeakPolarHBondContact OH-CE1 3.47Å
771	L	74.4	Confident	63.1	Low	17 Å²	17	41.1 Å²	41.1	9%	0.089	21%	0.206	C	C	.	.			trans	-72.7	132.5	-177.2	-69.6	-179.7	0	0	0	112.3	V765 T767 P768 V775 L776 W788	V765-L771 WeakPolarHBondContact O-CD2 3.34Å; T767-L771 PolarHBondContact O-N 2.89Å; P768-L771 WeakPolarHBondContact O-CB 3.36Å; P768-L771 PolarHBondContact O-N 3.19Å; L771-V775 HydrophobicContact CD2-CG1 4.33Å; L771-L776 HydrophobicContact CB-CD2 4.41Å; L771-L776 HydrophobicContact CD1-CD2 3.73Å; L771-W788 PolarHBondContact O-NE1 2.9Å
772	A	80.3	Confident	64.8	Low	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.			trans	-78.4	145.9	171.6	0	0	0	0	0	111.4	E774 V775 L785 W788	A772-E774 VanDerWaalsContact C-N 3.26Å; A772-E774 HydrophobicContact CB-CG 4.41Å; A772-E774 WeakPolarHBondContact CB-OE2 3.37Å; A772-E774 PolarHBondContact O-N 2.95Å; A772-V775 HydrophobicContact CB-CG2 4.4Å; A772-V775 WeakPolarHBondContact O-CB 3.29Å; A772-V775 PolarHBondContact O-N 2.94Å; A772-L785 HydrophobicContact CB-CG 4.41Å; A772-W788 HydrophobicContact CB-CB 3.81Å; A772-W788 HydrophobicContact CB-CD2 4.19Å; A772-W788 HydrophobicContact CB-CG 3.69Å
773	P	83.3	Confident	67.1	Low	1 Å²	1	33 Å²	33	1%	0.006	18%	0.177	C	C	.	.	H	α-helix	trans	-60.4	-30.6	-173.8	19.5	-30.4	0	0	0	113.9	V775 L776 L777 W788 I814 V843	P773-V775 PolarHBondContact O-N 3.24Å; P773-L776 PolarHBondContact O-N 2.79Å; P773-L777 WeakPolarHBondContact O-CB 3.4Å; P773-L777 WeakPolarHBondContact O-CG 3.49Å; P773-L777 PolarHBondContact O-N 2.69Å; P773-W788 HydrophobicContact CG-CE3 4.46Å; P773-W788 HydrophobicContact CG-CH2 4.09Å; P773-W788 HydrophobicContact CG-CZ3 4.01Å; P773-I814 HydrophobicContact CB-CG2 3.96Å; P773-I814 HydrophobicContact CG-CG2 4.45Å; P773-V843 HydrophobicContact CB-CG1 4.22Å; P773-V843 HydrophobicContact CG-CB 4.31Å; P773-V843 HydrophobicContact CG-CG1 3.92Å
774	E	81.6	Confident	69.4	Low	5 Å²	5	31.8 Å²	31.8	2%	0.023	17%	0.169	C	C	.	.	H	α-helix	trans	-64	-20.7	175.2	63.6	-92.6	-153.1	0	0	114.4	A772 N778 Q779 M845 R848	A772-E774 VanDerWaalsContact C-N 3.26Å; A772-E774 HydrophobicContact CB-CG 4.41Å; A772-E774 WeakPolarHBondContact CB-OE2 3.37Å; A772-E774 PolarHBondContact O-N 2.95Å; E774-N778 PolarHBondContact O-N 3.2Å; E774-Q779 PolarHBondContact O-N 3.22Å; E774-M845 HydrophobicContact CB-CE 3.78Å; E774-M845 HydrophobicContact CB-CG 4.48Å; E774-M845 HydrophobicContact CB-SD 4.03Å; E774-M845 HydrophobicContact CG-CE 4.26Å; E774-M845 HydrophobicContact CG-CG 4.22Å; E774-M845 HydrophobicContact CG-SD 3.81Å; E774-R848 IonicContact OE1-CZ 2.69Å; E774-R848 IonicContact OE1-NH1 3.57Å; E774-R848 PolarHBondContact OE1-NH1 3.02Å; E774-R848 IonicContact OE1-NH2 3.51Å; E774-R848 PolarHBondContact OE1-NH2 3.4Å; E774-R848 IonicContact OE2-CZ 3.7Å; E774-R848 IonicContact OE2-NH1 3.55Å; E774-R848 IonicContact OE2-NH2 2.7Å; E774-R848 PolarHBondContact OE2-NH2 3.22Å
775	V	78.1	Confident	71.3	Confident	3 Å²	3	28 Å²	28	2%	0.018	15%	0.146	C	C	.	.	H	α-helix	trans	-79.9	-43.3	175.4	-172.7	0	0	0	0	110.5	V764 L771 A772 P773 N778 Y781 L785	V764-V775 HydrophobicContact CG1-CG1 4.33Å; L771-V775 HydrophobicContact CD2-CG1 4.33Å; A772-V775 HydrophobicContact CB-CG2 4.4Å; A772-V775 WeakPolarHBondContact O-CB 3.29Å; A772-V775 PolarHBondContact O-N 2.94Å; P773-V775 PolarHBondContact O-N 3.24Å; V775-N778 PolarHBondContact O-N 3.22Å; V775-Y781 HydrophobicContact CG2-CD1 4.42Å; V775-L785 HydrophobicContact CG2-CD1 3.61Å; V775-L785 HydrophobicContact CG2-CG 4.25Å
776	L	71.4	Confident	73.4	Confident	52 Å²	52	27.7 Å²	27.7	27%	0.272	14%	0.144	S	C	.	.	H	α-helix	trans	-63.5	-46.1	175.2	-60.1	-177.9	0	0	0	111.2	L771 P773 N778 N811 I814	L771-L776 HydrophobicContact CB-CD2 4.41Å; L771-L776 HydrophobicContact CD1-CD2 3.73Å; P773-L776 PolarHBondContact O-N 2.79Å; L776-N778 PolarHBondContact O-N 3.31Å; L776-N811 HydrophobicContact CD1-CB 4.3Å; L776-I814 HydrophobicContact CD1-CB 3.86Å; L776-I814 HydrophobicContact CD1-CD1 4.15Å; L776-I814 HydrophobicContact CD1-CG2 3.56Å
777	L	68.3	Low	75.6	Confident	66 Å²	66	27 Å²	27	35%	0.346	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-3.8	179.4	-67.4	168.5	0	0	0	113.7	P773 Q779 Q815	P773-L777 WeakPolarHBondContact O-CB 3.4Å; P773-L777 WeakPolarHBondContact O-CG 3.49Å; P773-L777 PolarHBondContact O-N 2.69Å; L777-Q779 HydrophobicContact CB-CG 3.82Å; L777-Q779 PolarHBondContact O-N 3.38Å; L777-Q815 HydrophobicContact CD1-CG 4.32Å; L777-Q815 HydrophobicContact CD2-CG 4.22Å; L777-Q815 VanDerWaalsContact CD2-OE1 3.32Å; L777-Q815 HydrophobicContact CG-CG 4.2Å
778	N	64.8	Low	77.6	Confident	80 Å²	80	25.1 Å²	25.1	43%	0.428	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	26.2	-178.7	-161.2	28.2	0	0	0	114.6	R762 E774 V775 L776 G780	R762-N778 VanDerWaalsContact CA-OD1 3.32Å; R762-N778 WeakPolarHBondContact CA-OD1 3.45Å; R762-N778 WeakPolarHBondContact CB-OD1 3.19Å; R762-N778 WeakPolarHBondContact CG-O 2.99Å; R762-N778 PolarHBondContact O-OD1 3.18Å; E774-N778 PolarHBondContact O-N 3.2Å; V775-N778 PolarHBondContact O-N 3.22Å; L776-N778 PolarHBondContact O-N 3.31Å; N778-G780 PolarHBondContact O-N 2.75Å
779	Q	59.4	Low	79.3	Confident	121 Å²	121	24.5 Å²	24.5	57%	0.565	12%	0.121	S	C	*	.	S	Bend	trans	-75.2	-27.3	-170	-75.9	179.1	6.5	0	0	112.8	E774 L777	E774-Q779 PolarHBondContact O-N 3.22Å; L777-Q779 HydrophobicContact CB-CG 3.82Å; L777-Q779 PolarHBondContact O-N 3.38Å
780	G	65.8	Low	81.1	Confident	1 Å²	1	24.1 Å²	24.1	1%	0.01	12%	0.118	C	C	.	.			trans	123.6	116.9	-168.9	0	0	0	0	0	110.6	F760 R761 N778 M845	F760-G780 WeakPolarHBondContact CD1-O 3.45Å; R761-G780 CarbonylContact O-C 3.56Å; R761-G780 VanDerWaalsContact O-CA 3.23Å; R761-G780 WeakPolarHBondContact O-CA 3.48Å; N778-G780 PolarHBondContact O-N 2.75Å; G780-M845 WeakPolarHBondContact O-CE 3.22Å
781	Y	73	Confident	82.5	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.008	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-107.7	158.8	175.2	69.7	-92.6	0	0	0	112.7	I755 R761 S763 V765 V775 L785	I755-Y781 HydrophobicContact CD1-CD2 3.93Å; I755-Y781 HydrophobicContact CD1-CE2 3.45Å; I755-Y781 VanDerWaalsContact CD1-CE2 3.45Å; R761-Y781 HydrophobicContact CB-CD1 3.88Å; R761-Y781 HydrophobicContact CB-CD2 4.43Å; R761-Y781 HydrophobicContact CB-CE1 3.39Å; R761-Y781 HydrophobicContact CB-CE2 4.04Å; R761-Y781 HydrophobicContact CB-CG 4.36Å; R761-Y781 VanDerWaalsContact CB-CZ 3.49Å; R761-Y781 PolarHBondContact N-O 3.36Å; R761-Y781 VanDerWaalsContact N-O 3.14Å; R761-Y781 WeakPolarHBondContact O-CD1 3.27Å; R761-Y781 WeakPolarHBondContact O-CE1 3.4Å; R761-Y781 PolarHBondContact O-N 3.31Å; S763-Y781 WeakPolarHBondContact O-CE1 3.35Å; S763-Y781 PolarHBondContact OG-OH 3.22Å; V765-Y781 HydrophobicContact CG2-CE1 4.12Å; V765-Y781 HydrophobicContact CG2-CE2 4.4Å; V775-Y781 HydrophobicContact CG2-CD1 4.42Å; Y781-L785 HydrophobicContact CD1-CD1 4.38Å; Y781-L785 HydrophobicContact CD2-CB 4.35Å; Y781-L785 HydrophobicContact CD2-CD1 3.39Å; Y781-L785 HydrophobicContact CE2-CD1 3.84Å; Y781-L785 HydrophobicContact CG-CD1 3.7Å
782	N	82.8	Confident	83.3	Confident	30 Å²	30	22.9 Å²	22.9	16%	0.16	11%	0.112	C	C	.	.			trans	-141.2	-164	176.1	65.1	49	0	0	0	110	S784 L785	N782-S784 PolarHBondContact O-N 2.76Å; N782-S784 WeakPolarHBondContact OD1-CB 3.45Å; N782-S784 PolarHBondContact OD1-N 3.42Å; N782-S784 PolarHBondContact OD1-OG 2.95Å; N782-L785 WeakPolarHBondContact O-CB 3.48Å; N782-L785 PolarHBondContact O-N 2.95Å
783	R	89.3	Confident	84.1	Confident	96 Å²	96	22.9 Å²	22.9	36%	0.362	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-20	-179.1	70	172.7	171.2	-133.6	-3.6	116.1	H719 V724 E757 L785 D786	H719-R783 PolarHBondContact CE1-O 3.26Å; V724-R783 HydrophobicContact CG2-CB 3.94Å; E757-R783 IonicContact OE1-CZ 3.06Å; E757-R783 IonicContact OE1-NH1 3.73Å; E757-R783 PolarHBondContact OE1-NH1 3.25Å; E757-R783 IonicContact OE1-NH2 3.33Å; E757-R783 PolarHBondContact OE1-NH2 3.45Å; R783-L785 PolarHBondContact O-N 2.8Å; R783-D786 PolarHBondContact O-N 3.15Å
784	S	91.3	Very high	84.8	Confident	13 Å²	13	22.8 Å²	22.8	9%	0.091	11%	0.111	C	C	.	.	H	α-helix	trans	-65.3	-15.3	172.8	59.6	0	0	0	0	114.6	N782 M787 W788 M845 R848	N782-S784 PolarHBondContact O-N 2.76Å; N782-S784 WeakPolarHBondContact OD1-CB 3.45Å; N782-S784 PolarHBondContact OD1-N 3.42Å; N782-S784 PolarHBondContact OD1-OG 2.95Å; S784-M787 PolarHBondContact O-N 3.14Å; S784-W788 PolarHBondContact O-N 3.39Å; S784-M845 WeakPolarHBondContact OG-CG 3.44Å; S784-R848 WeakPolarHBondContact O-CD 3.43Å; S784-R848 PolarHBondContact O-NH1 2.98Å
785	L	90.6	Very high	85.3	Confident	5 Å²	5	22.9 Å²	22.9	3%	0.026	11%	0.112	C	C	.	.	H	α-helix	trans	-58.9	-52.7	174.3	-176.4	165.9	0	0	0	110.8	V765 A772 V775 Y781 N782 R783 M787 W788 S789	V765-L785 HydrophobicContact CG2-CD1 4.5Å; A772-L785 HydrophobicContact CB-CG 4.41Å; V775-L785 HydrophobicContact CG2-CD1 3.61Å; V775-L785 HydrophobicContact CG2-CG 4.25Å; Y781-L785 HydrophobicContact CD1-CD1 4.38Å; Y781-L785 HydrophobicContact CD2-CB 4.35Å; Y781-L785 HydrophobicContact CD2-CD1 3.39Å; Y781-L785 HydrophobicContact CE2-CD1 3.84Å; Y781-L785 HydrophobicContact CG-CD1 3.7Å; N782-L785 WeakPolarHBondContact O-CB 3.48Å; N782-L785 PolarHBondContact O-N 2.95Å; R783-L785 PolarHBondContact O-N 2.8Å; L785-M787 PolarHBondContact O-N 2.97Å; L785-W788 WeakPolarHBondContact O-CB 3.2Å; L785-W788 PolarHBondContact O-N 3Å; L785-S789 PolarHBondContact O-N 3.35Å
786	D	93.9	Very high	85.7	Confident	0 Å²	0	23 Å²	23	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-60	-33.2	-178	-58.1	-26.5	0	0	0	111.3	L715 H719 V724 H725 C726 R783 W788 S789 V790	L715-D786 HydrophobicContact CD1-CB 4.28Å; L715-D786 HydrophobicContact CD2-CB 3.86Å; H719-D786 IonicContact CD2-OD2 2.59Å; H719-D786 IonicContact CE1-OD2 3.53Å; H719-D786 IonicContact NE2-OD2 2.6Å; H719-D786 PolarHBondContact NE2-OD2 3.46Å; V724-D786 WeakPolarHBondContact CG1-OD1 3.45Å; V724-D786 WeakPolarHBondContact CG1-OD2 3.24Å; H725-D786 WeakPolarHBondContact CB-OD1 3.3Å; H725-D786 PolarHBondContact N-OD1 3.3Å; H725-D786 VanDerWaalsContact N-OD1 3.14Å; H725-D786 PolarHBondContact N-OD2 3.3Å; C726-D786 PolarHBondContact N-OD1 3.35Å; R783-D786 PolarHBondContact O-N 3.15Å; D786-W788 PolarHBondContact O-N 3.17Å; D786-S789 WeakPolarHBondContact O-CB 3.45Å; D786-S789 PolarHBondContact O-N 3.39Å; D786-V790 WeakPolarHBondContact O-CG2 3.31Å; D786-V790 PolarHBondContact O-N 3.44Å
787	M	97.2	Very high	86.8	Confident	2 Å²	2	20.5 Å²	20.5	1%	0.01	10%	0.099	C	C	.	.	H	α-helix	trans	-66.4	-33.5	177.7	-57.6	-56.8	-56.1	0	0	113.1	L712 L715 S784 L785 V790 G791 L840 Y849 V851 S854	L712-M787 HydrophobicContact CD2-CE 3.67Å; L712-M787 HydrophobicContact CD2-SD 4.3Å; L715-M787 HydrophobicContact CD1-SD 4.38Å; S784-M787 PolarHBondContact O-N 3.14Å; L785-M787 PolarHBondContact O-N 2.97Å; M787-V790 PolarHBondContact O-N 3.35Å; M787-G791 PolarHBondContact O-N 3.06Å; M787-L840 HydrophobicContact CB-CD2 4.3Å; M787-L840 HydrophobicContact CE-CD2 3.62Å; M787-L840 WeakPolarHBondContact O-CD2 3.37Å; M787-Y849 WeakPolarHBondContact CG-O 3.31Å; M787-V851 HydrophobicContact CE-CG2 4.4Å; M787-V851 HydrophobicContact SD-CB 4.37Å; M787-V851 HydrophobicContact SD-CG2 3.5Å; M787-V851 WeakPolarHBondContact SD-CG2 3.19Å; M787-S854 WeakPolarHBondContact CE-OG 3.2Å
788	W	95.7	Very high	88	Confident	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-64.8	-44.8	171.2	174.3	-84.2	0	0	0	110.3	L771 A772 P773 S784 L785 D786 V790 G791 V792 F804 I814 A817 L841	L771-W788 PolarHBondContact O-NE1 2.9Å; A772-W788 HydrophobicContact CB-CB 3.81Å; A772-W788 HydrophobicContact CB-CD2 4.19Å; A772-W788 HydrophobicContact CB-CG 3.69Å; P773-W788 HydrophobicContact CG-CE3 4.46Å; P773-W788 HydrophobicContact CG-CH2 4.09Å; P773-W788 HydrophobicContact CG-CZ3 4.01Å; S784-W788 PolarHBondContact O-N 3.39Å; L785-W788 WeakPolarHBondContact O-CB 3.2Å; L785-W788 PolarHBondContact O-N 3Å; D786-W788 PolarHBondContact O-N 3.17Å; W788-V790 VanDerWaalsContact C-N 3.32Å; W788-V790 PolarHBondContact O-N 3.33Å; W788-G791 WeakPolarHBondContact O-CA 2.94Å; W788-G791 PolarHBondContact O-N 2.86Å; W788-V792 PolarHBondContact O-N 2.66Å; W788-F804 AromaticContact CH2-CZ 3.91Å; W788-F804 HydrophobicContact CH2-CZ 3.91Å; W788-F804 AromaticContact CZ2-CE2 3.65Å; W788-F804 HydrophobicContact CZ2-CE2 3.65Å; W788-F804 AromaticContact CZ2-CZ 3.46Å; W788-F804 HydrophobicContact CZ2-CZ 3.46Å; W788-F804 VanDerWaalsContact CZ2-CZ 3.46Å; W788-I814 HydrophobicContact CH2-CG2 4.46Å; W788-I814 HydrophobicContact CZ2-CG2 3.91Å; W788-A817 HydrophobicContact CH2-CB 4.25Å; W788-L841 HydrophobicContact CD2-CD2 3.79Å; W788-L841 HydrophobicContact CE3-CB 4.38Å; W788-L841 HydrophobicContact CE3-CD2 4.04Å; W788-L841 HydrophobicContact CG-CD2 4.18Å; W788-L841 HydrophobicContact CZ2-CD2 4.36Å; W788-L841 VanDerWaalsContact CZ3-C 3.43Å; W788-L841 HydrophobicContact CZ3-CB 4.19Å; W788-L841 HydrophobicContact CZ3-CD2 4.44Å; W788-L841 WeakPolarHBondContact CZ3-O 3.42Å; W788-L841 WeakPolarHBondContact O-CD2 3.25Å
789	S	94.6	Very high	89	Confident	3 Å²	3	14 Å²	14	2%	0.021	7%	0.066	C	C	.	.	H	α-helix	trans	-62.1	-36.6	176.9	-52.3	0	0	0	0	112.5	L728 Y770 L785 D786 G791 V792 I793	L728-S789 WeakPolarHBondContact O-CB 3.3Å; Y770-S789 PolarHBondContact O-OG 3.48Å; L785-S789 PolarHBondContact O-N 3.35Å; D786-S789 WeakPolarHBondContact O-CB 3.45Å; D786-S789 PolarHBondContact O-N 3.39Å; S789-G791 VanDerWaalsContact C-N 3.32Å; S789-G791 PolarHBondContact O-N 2.79Å; S789-V792 PolarHBondContact O-N 2.69Å; S789-I793 WeakPolarHBondContact O-CB 3.23Å; S789-I793 WeakPolarHBondContact O-CD1 3.36Å; S789-I793 VanDerWaalsContact O-CG1 3.22Å; S789-I793 WeakPolarHBondContact O-CG1 3.17Å; S789-I793 PolarHBondContact O-N 2.95Å
790	V	98.2	Very high	89.9	Confident	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-59.3	-41.1	169.6	176.6	0	0	0	0	111.5	I708 I711 L712 L715 L728 D786 M787 W788 I793 M794 L840	I708-V790 HydrophobicContact CD1-CG1 4.03Å; I708-V790 HydrophobicContact CG2-CG1 4.22Å; I711-V790 HydrophobicContact CG2-CG2 4.02Å; L712-V790 HydrophobicContact CD2-CG1 4.38Å; L715-V790 HydrophobicContact CD1-CG2 3.49Å; L715-V790 VanDerWaalsContact CD1-CG2 3.49Å; L728-V790 HydrophobicContact CD2-CG2 3.65Å; D786-V790 WeakPolarHBondContact O-CG2 3.31Å; D786-V790 PolarHBondContact O-N 3.44Å; M787-V790 PolarHBondContact O-N 3.35Å; W788-V790 VanDerWaalsContact C-N 3.32Å; W788-V790 PolarHBondContact O-N 3.33Å; V790-I793 PolarHBondContact O-N 2.93Å; V790-M794 VanDerWaalsContact O-CB 3.31Å; V790-M794 WeakPolarHBondContact O-CB 3.21Å; V790-M794 PolarHBondContact O-N 3.2Å; V790-L840 HydrophobicContact CG1-CD1 4.1Å
791	G	97.6	Very high	90.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.4	-43.2	174.7	0	0	0	0	0	113	M787 W788 S789 Y795	M787-G791 PolarHBondContact O-N 3.06Å; W788-G791 WeakPolarHBondContact O-CA 2.94Å; W788-G791 PolarHBondContact O-N 2.86Å; S789-G791 VanDerWaalsContact C-N 3.32Å; S789-G791 PolarHBondContact O-N 2.79Å; G791-Y795 PolarHBondContact O-N 3.11Å
792	V	92.8	Very high	90.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-66.8	-45.2	175.6	-179.4	0	0	0	0	111.2	A769 Y770 W788 S789 M794 Y795 V796 P803 F804 L841	A769-V792 WeakPolarHBondContact O-CG1 3.12Å; Y770-V792 HydrophobicContact CD1-CB 3.87Å; Y770-V792 HydrophobicContact CD1-CG1 3.4Å; Y770-V792 VanDerWaalsContact CD1-CG1 3.4Å; Y770-V792 HydrophobicContact CE1-CB 4.45Å; Y770-V792 HydrophobicContact CE1-CG1 3.68Å; Y770-V792 HydrophobicContact CG-CG1 4.29Å; W788-V792 PolarHBondContact O-N 2.66Å; S789-V792 PolarHBondContact O-N 2.69Å; V792-M794 VanDerWaalsContact C-N 3.32Å; V792-M794 PolarHBondContact O-N 3.45Å; V792-Y795 PolarHBondContact O-N 3.11Å; V792-V796 HydrophobicContact CG1-CG2 4.18Å; V792-V796 VanDerWaalsContact O-CG2 3.31Å; V792-V796 WeakPolarHBondContact O-CG2 3.37Å; V792-V796 PolarHBondContact O-N 2.85Å; V792-P803 HydrophobicContact CG1-CG 4.06Å; V792-P803 HydrophobicContact CG2-CG 4.26Å; V792-F804 HydrophobicContact CG2-CE2 4.47Å; V792-L841 HydrophobicContact CG2-CD2 3.82Å
793	I	95.7	Very high	90.3	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-57.8	-46.1	176.3	-69.8	162.3	0	0	0	110.5	M687 I708 I711 L728 P730 Y770 S789 V790 V796 S797	M687-I793 HydrophobicContact CE-CG2 3.98Å; M687-I793 HydrophobicContact SD-CG2 3.85Å; I708-I793 HydrophobicContact CD1-CG2 4.11Å; I711-I793 HydrophobicContact CD1-CG2 4.44Å; L728-I793 HydrophobicContact CD2-CD1 4.03Å; L728-I793 HydrophobicContact CG-CD1 3.76Å; P730-I793 HydrophobicContact CG-CG1 4.09Å; P730-I793 HydrophobicContact CG-CG2 4.41Å; Y770-I793 HydrophobicContact CD1-CG1 4.49Å; Y770-I793 HydrophobicContact CE1-CG1 4.32Å; S789-I793 WeakPolarHBondContact O-CB 3.23Å; S789-I793 WeakPolarHBondContact O-CD1 3.36Å; S789-I793 VanDerWaalsContact O-CG1 3.22Å; S789-I793 WeakPolarHBondContact O-CG1 3.17Å; S789-I793 PolarHBondContact O-N 2.95Å; V790-I793 PolarHBondContact O-N 2.93Å; I793-V796 PolarHBondContact O-N 2.91Å; I793-S797 VanDerWaalsContact O-CB 3.25Å; I793-S797 WeakPolarHBondContact O-CB 3.28Å; I793-S797 PolarHBondContact O-N 2.71Å; I793-S797 PolarHBondContact O-OG 2.9Å
794	M	97.9	Very high	89.8	Confident	0 Å²	0	12 Å²	12	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.8	-41.5	178.8	-173.7	178	160.3	0	0	111.9	T704 I708 V790 V792 L798 A833 L836 I837 Y859	T704-M794 HydrophobicContact CG2-CG 4.19Å; I708-M794 HydrophobicContact CD1-CB 3.9Å; I708-M794 HydrophobicContact CD1-CG 4.47Å; I708-M794 HydrophobicContact CG1-CB 4.38Å; I708-M794 HydrophobicContact CG1-CG 4.42Å; V790-M794 VanDerWaalsContact O-CB 3.31Å; V790-M794 WeakPolarHBondContact O-CB 3.21Å; V790-M794 PolarHBondContact O-N 3.2Å; V792-M794 VanDerWaalsContact C-N 3.32Å; V792-M794 PolarHBondContact O-N 3.45Å; M794-L798 HydrophobicContact CE-CD1 4.09Å; M794-L798 HydrophobicContact CG-CD1 4.21Å; M794-L798 WeakPolarHBondContact O-CG 3.18Å; M794-L798 PolarHBondContact O-N 2.74Å; M794-A833 HydrophobicContact CE-CB 3.8Å; M794-A833 VanDerWaalsContact CE-O 3.29Å; M794-A833 WeakPolarHBondContact CE-O 3.21Å; M794-L836 HydrophobicContact CE-CB 4.24Å; M794-L836 HydrophobicContact CE-CD2 4.21Å; M794-L836 HydrophobicContact CE-CG 4.49Å; M794-L836 HydrophobicContact SD-CB 4.39Å; M794-L836 HydrophobicContact SD-CD2 3.84Å; M794-L836 HydrophobicContact SD-CG 4.06Å; M794-I837 HydrophobicContact CB-CG1 4.22Å; M794-I837 HydrophobicContact CE-CD1 4.09Å; M794-I837 HydrophobicContact CE-CG1 3.88Å; M794-I837 HydrophobicContact CG-CD1 4.1Å; M794-I837 HydrophobicContact CG-CG1 3.92Å; M794-I837 HydrophobicContact SD-CD1 4.42Å; M794-I837 HydrophobicContact SD-CG1 3.79Å; M794-Y859 HydrophobicContact CE-CD1 3.64Å; M794-Y859 HydrophobicContact CE-CE1 3.27Å; M794-Y859 HydrophobicContact CE-CE2 4.34Å; M794-Y859 HydrophobicContact CE-CG 4.3Å; M794-Y859 HydrophobicContact SD-CD1 4.49Å; M794-Y859 HydrophobicContact SD-CE1 4.17Å
795	Y	93.9	Very high	88.6	Confident	6 Å²	6	14.2 Å²	14.2	2%	0.024	8%	0.084	C	C	.	.	H	α-helix	trans	-60.1	-57.3	173.8	-176.6	-79.8	0	0	0	110.9	G791 V792 S797 L798 S799 T801 F802 P803 M820 Y821 W826 I837	G791-Y795 PolarHBondContact O-N 3.11Å; V792-Y795 PolarHBondContact O-N 3.11Å; Y795-S797 VanDerWaalsContact C-N 3.27Å; Y795-S797 PolarHBondContact O-N 3.24Å; Y795-L798 PolarHBondContact O-N 2.92Å; Y795-S799 WeakPolarHBondContact CD1-OG 2.96Å; Y795-S799 WeakPolarHBondContact CE1-OG 3.47Å; Y795-S799 PolarHBondContact O-N 3.25Å; Y795-S799 PolarHBondContact O-OG 3.07Å; Y795-T801 WeakPolarHBondContact CD1-O 3.39Å; Y795-T801 WeakPolarHBondContact CE1-O 3.26Å; Y795-F802 VanDerWaalsContact CE1-C 3.41Å; Y795-F802 WeakPolarHBondContact CE1-O 3.31Å; Y795-P803 HydrophobicContact CD1-CB 3.8Å; Y795-P803 HydrophobicContact CD1-CG 4.16Å; Y795-P803 HydrophobicContact CD2-CB 4.06Å; Y795-P803 VanDerWaalsContact CE1-CA 3.49Å; Y795-P803 HydrophobicContact CE1-CB 3.96Å; Y795-P803 HydrophobicContact CE2-CB 4.21Å; Y795-P803 HydrophobicContact CG-CB 3.87Å; Y795-P803 HydrophobicContact CG-CG 4.33Å; Y795-M820 PolarHBondContact OH-O 3.42Å; Y795-M820 VanDerWaalsContact OH-O 3.07Å; Y795-Y821 HydrophobicContact CD2-CD1 4.41Å; Y795-Y821 HydrophobicContact CD2-CE1 4.01Å; Y795-Y821 AromaticContact CE2-CD1 3.92Å; Y795-Y821 HydrophobicContact CE2-CD1 3.92Å; Y795-Y821 AromaticContact CE2-CE1 3.96Å; Y795-Y821 HydrophobicContact CE2-CE1 3.96Å; Y795-W826 HydrophobicContact CD1-CZ2 4.34Å; Y795-W826 AromaticContact CD2-CH2 3.83Å; Y795-W826 HydrophobicContact CD2-CH2 3.83Å; Y795-W826 AromaticContact CD2-CZ2 3.39Å; Y795-W826 HydrophobicContact CD2-CZ2 3.39Å; Y795-W826 HydrophobicContact CE1-CZ2 4.33Å; Y795-W826 AromaticContact CE2-CE2 3.82Å; Y795-W826 HydrophobicContact CE2-CH2 4.21Å; Y795-W826 AromaticContact CE2-CZ2 3.38Å; Y795-W826 HydrophobicContact CE2-CZ2 3.38Å; Y795-W826 AromaticContact CE2-NE1 3.95Å; Y795-W826 HydrophobicContact CG-CH2 4.33Å; Y795-W826 AromaticContact CG-CZ2 3.89Å; Y795-W826 HydrophobicContact CG-CZ2 3.89Å; Y795-W826 AromaticContact CZ-CZ2 3.88Å; Y795-W826 AromaticContact CZ-NE1 3.91Å; Y795-I837 HydrophobicContact CD2-CG2 4.44Å
796	V	86.7	Confident	86.9	Confident	6 Å²	6	18.8 Å²	18.8	4%	0.036	11%	0.106	C	C	.	.	H	α-helix	trans	-57.1	-40.4	-178.4	173.6	0	0	0	0	111.5	I691 V792 I793 L798 G800 T801 F802	I691-V796 HydrophobicContact CD1-CG1 4.45Å; V792-V796 HydrophobicContact CG1-CG2 4.18Å; V792-V796 VanDerWaalsContact O-CG2 3.31Å; V792-V796 WeakPolarHBondContact O-CG2 3.37Å; V792-V796 PolarHBondContact O-N 2.85Å; I793-V796 PolarHBondContact O-N 2.91Å; V796-L798 VanDerWaalsContact C-N 3.3Å; V796-L798 PolarHBondContact O-N 3.36Å; V796-G800 WeakPolarHBondContact O-CA 3.49Å; V796-G800 PolarHBondContact O-N 3.21Å; V796-T801 WeakPolarHBondContact CA-O 3.25Å; V796-T801 WeakPolarHBondContact CG2-O 3.48Å; V796-F802 HydrophobicContact CG2-CD1 3.68Å; V796-F802 HydrophobicContact CG2-CE1 3.9Å; V796-F802 HydrophobicContact CG2-CG 4.32Å
797	S	92.9	Very high	84.9	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-60.7	-37.1	177.9	-60.9	0	0	0	0	112.8	M687 L699 I793 Y795	M687-S797 WeakPolarHBondContact CE-OG 3.35Å; L699-S797 PolarHBondContact N-O 3.25Å; I793-S797 VanDerWaalsContact O-CB 3.25Å; I793-S797 WeakPolarHBondContact O-CB 3.28Å; I793-S797 PolarHBondContact O-N 2.71Å; I793-S797 PolarHBondContact O-OG 2.9Å; Y795-S797 VanDerWaalsContact C-N 3.27Å; Y795-S797 PolarHBondContact O-N 3.24Å
798	L	94.8	Very high	83.1	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.01	17%	0.17	C	C	.	.	H	α-helix	trans	-90.1	-34.4	-176.1	-66.1	171.5	0	0	0	112.8	R698 E701 T704 M794 Y795 V796 W826 I829 A833 I837	R698-L798 WeakPolarHBondContact CD-O 3.4Å; R698-L798 PolarHBondContact NH1-O 2.79Å; E701-L798 HydrophobicContact CB-CD2 4.45Å; E701-L798 HydrophobicContact CG-CD2 3.68Å; T704-L798 HydrophobicContact CG2-CD1 4.45Å; T704-L798 HydrophobicContact CG2-CD2 4.01Å; T704-L798 HydrophobicContact CG2-CG 4.02Å; T704-L798 WeakPolarHBondContact OG1-CD2 3.45Å; M794-L798 HydrophobicContact CE-CD1 4.09Å; M794-L798 HydrophobicContact CG-CD1 4.21Å; M794-L798 WeakPolarHBondContact O-CG 3.18Å; M794-L798 PolarHBondContact O-N 2.74Å; Y795-L798 PolarHBondContact O-N 2.92Å; V796-L798 VanDerWaalsContact C-N 3.3Å; V796-L798 PolarHBondContact O-N 3.36Å; L798-W826 HydrophobicContact CB-CH2 3.98Å; L798-W826 HydrophobicContact CB-CZ3 4.42Å; L798-W826 HydrophobicContact CD1-CH2 4.27Å; L798-W826 HydrophobicContact CD1-CZ3 4.28Å; L798-I829 HydrophobicContact CB-CD1 3.93Å; L798-I829 HydrophobicContact CD1-CG2 4.29Å; L798-A833 HydrophobicContact CD1-CB 4.02Å; L798-I837 HydrophobicContact CD1-CD1 4.36Å
799	S	84.8	Confident	82	Confident	8 Å²	8	36 Å²	36	6%	0.056	19%	0.194	C	C	.	.	H	α-helix	trans	-88.9	-36.5	-177.4	61.4	0	0	0	0	114.2	R698 Y795 T801	R698-S799 VanDerWaalsContact CD-O 3.22Å; R698-S799 WeakPolarHBondContact CD-O 3.31Å; Y795-S799 WeakPolarHBondContact CD1-OG 2.96Å; Y795-S799 WeakPolarHBondContact CE1-OG 3.47Å; Y795-S799 PolarHBondContact O-N 3.25Å; Y795-S799 PolarHBondContact O-OG 3.07Å; S799-T801 VanDerWaalsContact C-N 3.28Å; S799-T801 WeakPolarHBondContact CB-OG1 3.47Å; S799-T801 PolarHBondContact OG-N 2.79Å; S799-T801 PolarHBondContact OG-O 3.4Å; S799-T801 PolarHBondContact OG-OG1 3.13Å
800	G	78	Confident	80.8	Confident	36 Å²	36	37 Å²	37	37%	0.371	20%	0.199	S	C	.	.	S	Bend	trans	76.7	12.5	-161.8	0	0	0	0	0	113.8	G697 V796	G697-G800 WeakPolarHBondContact O-CA 3.45Å; V796-G800 WeakPolarHBondContact O-CA 3.49Å; V796-G800 PolarHBondContact O-N 3.21Å
801	T	76	Confident	79.6	Confident	72 Å²	72	40.5 Å²	40.5	44%	0.442	22%	0.217	S	C	.	.	S	Bend	trans	-138.8	158.8	-177	66.2	0	0	0	0	111.6	Y795 V796 S799	Y795-T801 WeakPolarHBondContact CD1-O 3.39Å; Y795-T801 WeakPolarHBondContact CE1-O 3.26Å; V796-T801 WeakPolarHBondContact CA-O 3.25Å; V796-T801 WeakPolarHBondContact CG2-O 3.48Å; S799-T801 VanDerWaalsContact C-N 3.28Å; S799-T801 WeakPolarHBondContact CB-OG1 3.47Å; S799-T801 PolarHBondContact OG-N 2.79Å; S799-T801 PolarHBondContact OG-O 3.4Å; S799-T801 PolarHBondContact OG-OG1 3.13Å
802	F	78.6	Confident	78.7	Confident	82 Å²	82	44.6 Å²	44.6	36%	0.36	24%	0.239	S	C	.	.			trans	-75.1	152.2	172.3	-72.3	-77.4	0	0	0	112.2	A769 Y770 Y795 V796	A769-F802 HydrophobicContact CB-CD1 3.58Å; A769-F802 HydrophobicContact CB-CE1 3.61Å; A769-F802 HydrophobicContact CB-CG 4.26Å; A769-F802 HydrophobicContact CB-CZ 4.31Å; Y770-F802 HydrophobicContact CE1-CE1 4.16Å; Y770-F802 HydrophobicContact CE2-CE1 4.08Å; Y770-F802 AromaticContact CZ-CE1 3.66Å; Y770-F802 WeakPolarHBondContact OH-CE1 3.47Å; Y795-F802 VanDerWaalsContact CE1-C 3.41Å; Y795-F802 WeakPolarHBondContact CE1-O 3.31Å; V796-F802 HydrophobicContact CG2-CD1 3.68Å; V796-F802 HydrophobicContact CG2-CE1 3.9Å; V796-F802 HydrophobicContact CG2-CG 4.32Å
803	P	76.9	Confident	77.9	Confident	10 Å²	10	45.7 Å²	45.7	7%	0.065	24%	0.244	C	C	.	.	S	Bend	trans	-74.8	-26	176.3	27.4	-31.4	0	0	0	112.9	V792 Y795 F819	V792-P803 HydrophobicContact CG1-CG 4.06Å; V792-P803 HydrophobicContact CG2-CG 4.26Å; Y795-P803 HydrophobicContact CD1-CB 3.8Å; Y795-P803 HydrophobicContact CD1-CG 4.16Å; Y795-P803 HydrophobicContact CD2-CB 4.06Å; Y795-P803 VanDerWaalsContact CE1-CA 3.49Å; Y795-P803 HydrophobicContact CE1-CB 3.96Å; Y795-P803 HydrophobicContact CE2-CB 4.21Å; Y795-P803 HydrophobicContact CG-CB 3.87Å; Y795-P803 HydrophobicContact CG-CG 4.33Å; P803-F819 HydrophobicContact CB-CB 3.86Å; P803-F819 HydrophobicContact CB-CG 4.26Å; P803-F819 WeakPolarHBondContact O-CB 3.41Å
804	F	76.8	Confident	77.2	Confident	8 Å²	8	45.8 Å²	45.8	4%	0.035	25%	0.245	C	C	.	.	S	Bend	trans	-112.5	144.3	179.1	-48.5	-65.8	0	0	0	110	W788 V792 I810 Q813 I814 F819	W788-F804 AromaticContact CH2-CZ 3.91Å; W788-F804 HydrophobicContact CH2-CZ 3.91Å; W788-F804 AromaticContact CZ2-CE2 3.65Å; W788-F804 HydrophobicContact CZ2-CE2 3.65Å; W788-F804 AromaticContact CZ2-CZ 3.46Å; W788-F804 HydrophobicContact CZ2-CZ 3.46Å; W788-F804 VanDerWaalsContact CZ2-CZ 3.46Å; V792-F804 HydrophobicContact CG2-CE2 4.47Å; F804-I810 HydrophobicContact CB-CD1 4.35Å; F804-I810 HydrophobicContact CB-CG1 3.9Å; F804-Q813 VanDerWaalsContact CA-OE1 3.31Å; F804-Q813 HydrophobicContact CB-CB 4.49Å; F804-Q813 HydrophobicContact CD1-CB 3.94Å; F804-I814 HydrophobicContact CB-CG1 4.47Å; F804-I814 HydrophobicContact CD1-CG1 4.16Å; F804-I814 HydrophobicContact CD2-CD1 4.22Å; F804-I814 HydrophobicContact CD2-CG1 3.59Å; F804-I814 HydrophobicContact CE1-CG1 4.33Å; F804-I814 HydrophobicContact CE2-CG1 3.81Å; F804-I814 HydrophobicContact CG-CG1 3.8Å; F804-I814 HydrophobicContact CZ-CG1 4.18Å; F804-F819 HydrophobicContact CD1-CB 4.18Å; F804-F819 HydrophobicContact CE1-CB 3.92Å; F804-F819 AromaticContact CE1-CD1 3.9Å; F804-F819 HydrophobicContact CE1-CD1 3.9Å; F804-F819 HydrophobicContact CE1-CG 4.37Å; F804-F819 HydrophobicContact CZ-CD1 4.14Å
805	N	66.4	Low	76.4	Confident	58 Å²	58	48.7 Å²	48.7	31%	0.31	26%	0.259	S	S	.	.			trans	-87.4	141.2	-177.5	-168.5	8.7	0	0	0	111.3	D807 E808 I810	N805-D807 PolarHBondContact OD1-N 3.03Å; N805-E808 HydrophobicContact CB-CB 4.46Å; N805-E808 PolarHBondContact ND2-OE1 3.24Å; N805-I810 WeakPolarHBondContact O-CB 3.46Å
806	E	56.5	Low	75.9	Confident	102 Å²	102	54 Å²	54	48%	0.477	29%	0.287	S	S	.	.	S	Bend	trans	-85.9	-20.6	175.6	-55.1	-159.3	158.1	0	0	112.8	L189 E808	L189-E806 HydrophobicContact CD1-CG 3.95Å; L189-E806 VanDerWaalsContact CD1-OE1 3.24Å; L189-E806 WeakPolarHBondContact CD1-OE1 3.11Å; L189-E806 HydrophobicContact CD2-CB 4.27Å; L189-E806 HydrophobicContact CD2-CG 4.28Å; L189-E806 HydrophobicContact CG-CG 4.39Å; L189-E806 WeakPolarHBondContact CG-OE1 3.45Å; E806-E808 VanDerWaalsContact C-N 3.31Å; E806-E808 PolarHBondContact O-N 2.99Å
807	D	51.3	Low	75.7	Confident	154 Å²	154	54.9 Å²	54.9	82%	0.824	30%	0.295	S	S	*	.	S	Bend	trans	-83.7	-0.5	-179.4	-65.8	-44.3	0	0	0	113.9	N805	N805-D807 PolarHBondContact OD1-N 3.03Å
808	E	59.3	Low	75.3	Confident	116 Å²	116	57.5 Å²	57.5	54%	0.542	32%	0.317	S	S	.	.	S	Bend	trans	-123.3	-179.4	179.6	-73.2	171.4	-120.3	0	0	110.7	N805 E806 I810 Q813	N805-E808 HydrophobicContact CB-CB 4.46Å; N805-E808 PolarHBondContact ND2-OE1 3.24Å; E806-E808 VanDerWaalsContact C-N 3.31Å; E806-E808 PolarHBondContact O-N 2.99Å; E808-I810 VanDerWaalsContact C-N 3.27Å; E808-I810 PolarHBondContact O-N 3.48Å; E808-Q813 PolarHBondContact OE2-NE2 2.82Å
809	D	73.3	Confident	74.8	Confident	92 Å²	92	59.2 Å²	59.2	49%	0.492	32%	0.324	S	S	.	.			trans	-73.4	86.4	170.6	-159.1	-34	0	0	0	111.1	N811 D812 Q813	D809-N811 PolarHBondContact O-N 2.67Å; D809-N811 VanDerWaalsContact O-N 3.11Å; D809-N811 WeakPolarHBondContact OD1-CA 3.32Å; D809-N811 VanDerWaalsContact OD1-CB 3.23Å; D809-N811 WeakPolarHBondContact OD1-CB 3.31Å; D809-N811 PolarHBondContact OD1-N 3.34Å; D809-N811 PolarHBondContact OD1-ND2 3.45Å; D809-D812 HydrophobicContact CB-CB 4.35Å; D809-D812 PolarHBondContact O-N 2.85Å; D809-D812 PolarHBondContact OD1-N 3.35Å; D809-Q813 PolarHBondContact O-N 3.28Å
810	I	69.3	Low	74.8	Confident	25 Å²	25	65.3 Å²	65.3	13%	0.128	35%	0.354	C	S	.	.	H	α-helix	trans	-53.8	-26.8	175.9	-163.9	172.5	0	0	0	112.8	L189 F804 N805 E808 I814	L189-I810 HydrophobicContact CD1-CD1 3.76Å; F804-I810 HydrophobicContact CB-CD1 4.35Å; F804-I810 HydrophobicContact CB-CG1 3.9Å; N805-I810 WeakPolarHBondContact O-CB 3.46Å; E808-I810 VanDerWaalsContact C-N 3.27Å; E808-I810 PolarHBondContact O-N 3.48Å; I810-I814 HydrophobicContact CG1-CD1 3.97Å; I810-I814 HydrophobicContact CG1-CG1 4.46Å; I810-I814 WeakPolarHBondContact O-CB 3.13Å; I810-I814 VanDerWaalsContact O-CG1 3.24Å; I810-I814 WeakPolarHBondContact O-CG1 3.35Å; I810-I814 PolarHBondContact O-N 2.79Å
811	N	72.1	Confident	75.4	Confident	73 Å²	73	66.7 Å²	66.7	39%	0.39	35%	0.348	S	S	.	.	H	α-helix	trans	-71.4	-43.3	178	-48.3	-86.2	0	0	0	110.3	L776 D809 I814 Q815	L776-N811 HydrophobicContact CD1-CB 4.3Å; D809-N811 PolarHBondContact O-N 2.67Å; D809-N811 VanDerWaalsContact O-N 3.11Å; D809-N811 WeakPolarHBondContact OD1-CA 3.32Å; D809-N811 VanDerWaalsContact OD1-CB 3.23Å; D809-N811 WeakPolarHBondContact OD1-CB 3.31Å; D809-N811 PolarHBondContact OD1-N 3.34Å; D809-N811 PolarHBondContact OD1-ND2 3.45Å; N811-I814 PolarHBondContact O-N 2.93Å; N811-Q815 VanDerWaalsContact C-NE2 3.27Å; N811-Q815 VanDerWaalsContact O-CB 3.28Å; N811-Q815 WeakPolarHBondContact O-CB 3.27Å; N811-Q815 WeakPolarHBondContact O-CG 3.24Å; N811-Q815 PolarHBondContact O-N 3.42Å; N811-Q815 PolarHBondContact O-NE2 2.65Å
812	D	78.3	Confident	75.7	Confident	87 Å²	87	65.7 Å²	65.7	47%	0.465	34%	0.343	S	S	.	.	H	α-helix	trans	-69.8	-36.2	176.1	-88.5	11.6	0	0	0	111.3	D809 Q815 N816	D809-D812 HydrophobicContact CB-CB 4.35Å; D809-D812 PolarHBondContact O-N 2.85Å; D809-D812 PolarHBondContact OD1-N 3.35Å; D812-Q815 PolarHBondContact O-N 3.38Å; D812-Q815 PolarHBondContact OD1-NE2 2.87Å; D812-N816 WeakPolarHBondContact O-CB 3.36Å; D812-N816 PolarHBondContact O-N 3.45Å; D812-N816 PolarHBondContact O-ND2 3.29Å
813	Q	76	Confident	75.9	Confident	22 Å²	22	66.7 Å²	66.7	10%	0.103	36%	0.355	C	S	.	.	H	α-helix	trans	-61.1	-46.9	171.8	-66.7	-168.2	-1.6	0	0	111.9	F804 E808 D809 N816 A817 A818	F804-Q813 VanDerWaalsContact CA-OE1 3.31Å; F804-Q813 HydrophobicContact CB-CB 4.49Å; F804-Q813 HydrophobicContact CD1-CB 3.94Å; E808-Q813 PolarHBondContact OE2-NE2 2.82Å; D809-Q813 PolarHBondContact O-N 3.28Å; Q813-N816 PolarHBondContact O-N 2.91Å; Q813-A817 CarbonylContact O-C 3.5Å; Q813-A817 VanDerWaalsContact O-CA 3.3Å; Q813-A817 WeakPolarHBondContact O-CA 3.24Å; Q813-A817 PolarHBondContact O-N 2.84Å; Q813-A818 PolarHBondContact O-N 3.23Å
814	I	80.9	Confident	76.2	Confident	3 Å²	3	72.3 Å²	72.3	2%	0.015	39%	0.385	C	S	.	.	H	α-helix	trans	-65.8	-43.8	177.5	-72.2	167.8	0	0	0	111.6	P773 L776 W788 F804 I810 N811 N816 A817	P773-I814 HydrophobicContact CB-CG2 3.96Å; P773-I814 HydrophobicContact CG-CG2 4.45Å; L776-I814 HydrophobicContact CD1-CB 3.86Å; L776-I814 HydrophobicContact CD1-CD1 4.15Å; L776-I814 HydrophobicContact CD1-CG2 3.56Å; W788-I814 HydrophobicContact CH2-CG2 4.46Å; W788-I814 HydrophobicContact CZ2-CG2 3.91Å; F804-I814 HydrophobicContact CB-CG1 4.47Å; F804-I814 HydrophobicContact CD1-CG1 4.16Å; F804-I814 HydrophobicContact CD2-CD1 4.22Å; F804-I814 HydrophobicContact CD2-CG1 3.59Å; F804-I814 HydrophobicContact CE1-CG1 4.33Å; F804-I814 HydrophobicContact CE2-CG1 3.81Å; F804-I814 HydrophobicContact CG-CG1 3.8Å; F804-I814 HydrophobicContact CZ-CG1 4.18Å; I810-I814 HydrophobicContact CG1-CD1 3.97Å; I810-I814 HydrophobicContact CG1-CG1 4.46Å; I810-I814 WeakPolarHBondContact O-CB 3.13Å; I810-I814 VanDerWaalsContact O-CG1 3.24Å; I810-I814 WeakPolarHBondContact O-CG1 3.35Å; I810-I814 PolarHBondContact O-N 2.79Å; N811-I814 PolarHBondContact O-N 2.93Å; I814-N816 VanDerWaalsContact C-N 3.31Å; I814-N816 PolarHBondContact O-N 3.25Å; I814-A817 PolarHBondContact O-N 2.87Å
815	Q	81.6	Confident	76.8	Confident	61 Å²	61	73 Å²	73	29%	0.285	39%	0.39	S	S	.	.	H	α-helix	trans	-61.9	-35.9	179	-78	171.1	92.7	0	0	113	L777 N811 D812 V843	L777-Q815 HydrophobicContact CD1-CG 4.32Å; L777-Q815 HydrophobicContact CD2-CG 4.22Å; L777-Q815 VanDerWaalsContact CD2-OE1 3.32Å; L777-Q815 HydrophobicContact CG-CG 4.2Å; N811-Q815 VanDerWaalsContact C-NE2 3.27Å; N811-Q815 VanDerWaalsContact O-CB 3.28Å; N811-Q815 WeakPolarHBondContact O-CB 3.27Å; N811-Q815 WeakPolarHBondContact O-CG 3.24Å; N811-Q815 PolarHBondContact O-N 3.42Å; N811-Q815 PolarHBondContact O-NE2 2.65Å; D812-Q815 PolarHBondContact O-N 3.38Å; D812-Q815 PolarHBondContact OD1-NE2 2.87Å; Q815-V843 VanDerWaalsContact O-CG1 3.27Å; Q815-V843 WeakPolarHBondContact O-CG1 3.34Å; Q815-V843 WeakPolarHBondContact O-CG2 3.45Å
816	N	82.9	Confident	78.1	Confident	117 Å²	117	71 Å²	71	63%	0.626	38%	0.378	S	S	*	.	H	α-helix	trans	-92.2	-7	178.5	-67.7	-72.1	0	0	0	113.4	D812 Q813 I814 A818	D812-N816 WeakPolarHBondContact O-CB 3.36Å; D812-N816 PolarHBondContact O-N 3.45Å; D812-N816 PolarHBondContact O-ND2 3.29Å; Q813-N816 PolarHBondContact O-N 2.91Å; I814-N816 VanDerWaalsContact C-N 3.31Å; I814-N816 PolarHBondContact O-N 3.25Å; N816-A818 HydrophobicContact CB-CB 4.24Å; N816-A818 PolarHBondContact O-N 3.14Å
817	A	84.1	Confident	79.8	Confident	24 Å²	24	74.4 Å²	74.4	20%	0.198	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	40.3	-163.4	0	0	0	0	0	112.7	W788 Q813 I814 F819 L841 V843	W788-A817 HydrophobicContact CH2-CB 4.25Å; Q813-A817 CarbonylContact O-C 3.5Å; Q813-A817 VanDerWaalsContact O-CA 3.3Å; Q813-A817 WeakPolarHBondContact O-CA 3.24Å; Q813-A817 PolarHBondContact O-N 2.84Å; I814-A817 PolarHBondContact O-N 2.87Å; A817-F819 VanDerWaalsContact C-N 3.3Å; A817-F819 HydrophobicContact CB-CD1 4.38Å; A817-F819 HydrophobicContact CB-CE1 4.17Å; A817-F819 WeakPolarHBondContact O-CD1 3.37Å; A817-F819 PolarHBondContact O-N 2.82Å; A817-L841 WeakPolarHBondContact CB-O 3.42Å; A817-V843 HydrophobicContact CB-CG2 3.51Å
818	A	82.4	Confident	81.8	Confident	55 Å²	55	75.6 Å²	75.6	46%	0.455	39%	0.389	S	S	.	.			trans	-81.5	75.6	178.5	0	0	0	0	0	110.7	Q813 N816	Q813-A818 PolarHBondContact O-N 3.23Å; N816-A818 HydrophobicContact CB-CB 4.24Å; N816-A818 PolarHBondContact O-N 3.14Å
819	F	85.6	Confident	83.6	Confident	38 Å²	38	71.1 Å²	71.1	17%	0.167	37%	0.369	C	S	.	.			trans	-112.3	168.8	166.8	62.8	-89.1	0	0	0	110.1	P803 F804 A817 Y821 I837 L841	P803-F819 HydrophobicContact CB-CB 3.86Å; P803-F819 HydrophobicContact CB-CG 4.26Å; P803-F819 WeakPolarHBondContact O-CB 3.41Å; F804-F819 HydrophobicContact CD1-CB 4.18Å; F804-F819 HydrophobicContact CE1-CB 3.92Å; F804-F819 AromaticContact CE1-CD1 3.9Å; F804-F819 HydrophobicContact CE1-CD1 3.9Å; F804-F819 HydrophobicContact CE1-CG 4.37Å; F804-F819 HydrophobicContact CZ-CD1 4.14Å; A817-F819 VanDerWaalsContact C-N 3.3Å; A817-F819 HydrophobicContact CB-CD1 4.38Å; A817-F819 HydrophobicContact CB-CE1 4.17Å; A817-F819 WeakPolarHBondContact O-CD1 3.37Å; A817-F819 PolarHBondContact O-N 2.82Å; F819-Y821 HydrophobicContact CE2-CE1 4.33Å; F819-Y821 HydrophobicContact CE2-CE2 4.05Å; F819-Y821 AromaticContact CE2-CZ 3.72Å; F819-I837 HydrophobicContact CE2-CG2 4.28Å; F819-I837 HydrophobicContact CZ-CG2 4.47Å; F819-L841 HydrophobicContact CD1-CB 4.45Å; F819-L841 HydrophobicContact CD1-CD1 3.98Å; F819-L841 HydrophobicContact CD2-CD1 4.48Å; F819-L841 HydrophobicContact CE1-CB 3.54Å; F819-L841 HydrophobicContact CE1-CD1 3.64Å; F819-L841 HydrophobicContact CE1-CG 4.24Å; F819-L841 HydrophobicContact CE2-CD1 4.18Å; F819-L841 HydrophobicContact CG-CD1 4.4Å; F819-L841 HydrophobicContact CZ-CB 3.88Å; F819-L841 HydrophobicContact CZ-CD1 3.76Å; F819-L841 HydrophobicContact CZ-CG 4.41Å
820	M	85.3	Confident	84.7	Confident	137 Å²	137	68.4 Å²	68.4	68%	0.675	36%	0.357	S	S	*	.			trans	-138.3	169.9	-179.4	63.3	164.5	68.5	0	0	112.6	Y795 P822	Y795-M820 PolarHBondContact OH-O 3.42Å; Y795-M820 VanDerWaalsContact OH-O 3.07Å; M820-P822 HydrophobicContact CG-CG 4.36Å; M820-P822 WeakPolarHBondContact O-CD 3.47Å; M820-P822 HydrophobicContact SD-CG 4.41Å
821	Y	89.6	Confident	86	Confident	64 Å²	64	75.7 Å²	75.7	25%	0.251	39%	0.388	S	S	.	.			trans	-116.8	87	177.1	-63.5	-66.4	0	0	0	110.7	Y795 F819 V823 W826 T834 I837 N838	Y795-Y821 HydrophobicContact CD2-CD1 4.41Å; Y795-Y821 HydrophobicContact CD2-CE1 4.01Å; Y795-Y821 AromaticContact CE2-CD1 3.92Å; Y795-Y821 HydrophobicContact CE2-CD1 3.92Å; Y795-Y821 AromaticContact CE2-CE1 3.96Å; Y795-Y821 HydrophobicContact CE2-CE1 3.96Å; F819-Y821 HydrophobicContact CE2-CE1 4.33Å; F819-Y821 HydrophobicContact CE2-CE2 4.05Å; F819-Y821 AromaticContact CE2-CZ 3.72Å; Y821-V823 PolarHBondContact O-N 2.89Å; Y821-W826 AromaticContact CD1-CD2 3.5Å; Y821-W826 HydrophobicContact CD1-CD2 3.5Å; Y821-W826 AromaticContact CD1-CE2 3.66Å; Y821-W826 AromaticContact CD1-CE3 3.64Å; Y821-W826 HydrophobicContact CD1-CE3 3.64Å; Y821-W826 HydrophobicContact CD1-CG 4.01Å; Y821-W826 HydrophobicContact CD1-CH2 4.14Å; Y821-W826 AromaticContact CD1-CZ2 4Å; Y821-W826 HydrophobicContact CD1-CZ2 4Å; Y821-W826 AromaticContact CD1-CZ3 3.95Å; Y821-W826 HydrophobicContact CD1-CZ3 3.95Å; Y821-W826 HydrophobicContact CE1-CD2 4.28Å; Y821-W826 HydrophobicContact CE1-CE3 4.04Å; Y821-W826 AromaticContact CE1-CH2 3.99Å; Y821-W826 HydrophobicContact CE1-CH2 3.99Å; Y821-W826 HydrophobicContact CE1-CZ2 4.19Å; Y821-W826 AromaticContact CE1-CZ3 3.88Å; Y821-W826 HydrophobicContact CE1-CZ3 3.88Å; Y821-W826 HydrophobicContact CG-CD2 4.31Å; Y821-W826 HydrophobicContact CG-CG 4.4Å; Y821-T834 HydrophobicContact CD1-CG2 3.96Å; Y821-T834 HydrophobicContact CD2-CG2 4.34Å; Y821-T834 HydrophobicContact CE1-CG2 3.76Å; Y821-T834 HydrophobicContact CE2-CG2 4.19Å; Y821-T834 HydrophobicContact CG-CG2 4.22Å; Y821-T834 PolarHBondContact OH-O 3.08Å; Y821-T834 VanDerWaalsContact OH-O 3.04Å; Y821-I837 HydrophobicContact CE1-CG2 4.44Å; Y821-I837 WeakPolarHBondContact OH-CB 3.46Å; Y821-I837 VanDerWaalsContact OH-CG2 3.31Å; Y821-I837 WeakPolarHBondContact OH-CG2 3.35Å; Y821-N838 WeakPolarHBondContact CE2-OD1 3.29Å; Y821-N838 PolarHBondContact OH-OD1 3.01Å
822	P	83.5	Confident	87.3	Confident	52 Å²	52	75.4 Å²	75.4	34%	0.338	39%	0.386	S	S	.	.			trans	-56.8	136.6	-179.8	-27.9	36.2	0	0	0	113.1	M820 N824 W826	M820-P822 HydrophobicContact CG-CG 4.36Å; M820-P822 WeakPolarHBondContact O-CD 3.47Å; M820-P822 HydrophobicContact SD-CG 4.41Å; P822-N824 CarbonylContact O-C 3.58Å; P822-N824 VanDerWaalsContact O-C 3.23Å; P822-N824 PolarHBondContact O-N 3.04Å; P822-W826 WeakPolarHBondContact O-CB 3.4Å; P822-W826 VanDerWaalsContact O-CD1 3.28Å; P822-W826 PolarHBondContact O-N 3.48Å; P822-W826 VanDerWaalsContact O-N 3.15Å
823	V	81.3	Confident	88.2	Confident	102 Å²	102	71.2 Å²	71.2	62%	0.618	36%	0.364	S	S	*	.	H	α-helix	trans	-49.3	-37.8	-172.3	-179.1	0	0	0	0	112.7	Y821 W826 K827	Y821-V823 PolarHBondContact O-N 2.89Å; V823-W826 PolarHBondContact O-N 2.88Å; V823-K827 HydrophobicContact CG1-CB 4.1Å; V823-K827 HydrophobicContact CG1-CD 4.15Å; V823-K827 WeakPolarHBondContact O-CB 3.46Å; V823-K827 PolarHBondContact O-N 3.22Å
824	N	83.9	Confident	89.3	Confident	129 Å²	129	71.6 Å²	71.6	69%	0.69	37%	0.368	S	S	*	.	H	α-helix	trans	-107.3	125.7	163.5	-66.7	-55.9	0	0	0	108.8	P822	P822-N824 CarbonylContact O-C 3.58Å; P822-N824 VanDerWaalsContact O-C 3.23Å; P822-N824 PolarHBondContact O-N 3.04Å
825	P	89.3	Confident	90.1	Very high	22 Å²	22	75 Å²	75	14%	0.143	39%	0.386	C	S	.	.	H	α-helix	cis	-88.5	-7.2	4.5	33.4	-33.1	0	0	0	115.6	K827 K828 I829	P825-K827 VanDerWaalsContact C-N 3.28Å; P825-K827 PolarHBondContact O-N 3.39Å; P825-K827 VanDerWaalsContact O-N 3.1Å; P825-K828 PolarHBondContact O-N 2.85Å; P825-I829 HydrophobicContact CB-CD1 4.27Å; P825-I829 HydrophobicContact CG-CD1 4.06Å
826	W	93.2	Very high	90.9	Very high	16 Å²	16	72.1 Å²	72.1	6%	0.061	37%	0.373	C	S	.	.	H	α-helix	trans	-66.2	-19.2	-160.6	-65.4	96	0	0	0	115.8	Y795 L798 Y821 P822 V823 K828 I829 T834 I837	Y795-W826 HydrophobicContact CD1-CZ2 4.34Å; Y795-W826 AromaticContact CD2-CH2 3.83Å; Y795-W826 HydrophobicContact CD2-CH2 3.83Å; Y795-W826 AromaticContact CD2-CZ2 3.39Å; Y795-W826 HydrophobicContact CD2-CZ2 3.39Å; Y795-W826 HydrophobicContact CE1-CZ2 4.33Å; Y795-W826 AromaticContact CE2-CE2 3.82Å; Y795-W826 HydrophobicContact CE2-CH2 4.21Å; Y795-W826 AromaticContact CE2-CZ2 3.38Å; Y795-W826 HydrophobicContact CE2-CZ2 3.38Å; Y795-W826 AromaticContact CE2-NE1 3.95Å; Y795-W826 HydrophobicContact CG-CH2 4.33Å; Y795-W826 AromaticContact CG-CZ2 3.89Å; Y795-W826 HydrophobicContact CG-CZ2 3.89Å; Y795-W826 AromaticContact CZ-CZ2 3.88Å; Y795-W826 AromaticContact CZ-NE1 3.91Å; L798-W826 HydrophobicContact CB-CH2 3.98Å; L798-W826 HydrophobicContact CB-CZ3 4.42Å; L798-W826 HydrophobicContact CD1-CH2 4.27Å; L798-W826 HydrophobicContact CD1-CZ3 4.28Å; Y821-W826 AromaticContact CD1-CD2 3.5Å; Y821-W826 HydrophobicContact CD1-CD2 3.5Å; Y821-W826 AromaticContact CD1-CE2 3.66Å; Y821-W826 AromaticContact CD1-CE3 3.64Å; Y821-W826 HydrophobicContact CD1-CE3 3.64Å; Y821-W826 HydrophobicContact CD1-CG 4.01Å; Y821-W826 HydrophobicContact CD1-CH2 4.14Å; Y821-W826 AromaticContact CD1-CZ2 4Å; Y821-W826 HydrophobicContact CD1-CZ2 4Å; Y821-W826 AromaticContact CD1-CZ3 3.95Å; Y821-W826 HydrophobicContact CD1-CZ3 3.95Å; Y821-W826 HydrophobicContact CE1-CD2 4.28Å; Y821-W826 HydrophobicContact CE1-CE3 4.04Å; Y821-W826 AromaticContact CE1-CH2 3.99Å; Y821-W826 HydrophobicContact CE1-CH2 3.99Å; Y821-W826 HydrophobicContact CE1-CZ2 4.19Å; Y821-W826 AromaticContact CE1-CZ3 3.88Å; Y821-W826 HydrophobicContact CE1-CZ3 3.88Å; Y821-W826 HydrophobicContact CG-CD2 4.31Å; Y821-W826 HydrophobicContact CG-CG 4.4Å; P822-W826 WeakPolarHBondContact O-CB 3.4Å; P822-W826 VanDerWaalsContact O-CD1 3.28Å; P822-W826 PolarHBondContact O-N 3.48Å; P822-W826 VanDerWaalsContact O-N 3.15Å; V823-W826 PolarHBondContact O-N 2.88Å; W826-K828 PolarHBondContact O-N 3.3Å; W826-K828 VanDerWaalsContact O-N 3.14Å; W826-I829 HydrophobicContact CD2-CD1 3.7Å; W826-I829 HydrophobicContact CE3-CB 3.84Å; W826-I829 HydrophobicContact CE3-CD1 3.53Å; W826-I829 HydrophobicContact CE3-CG1 4.27Å; W826-I829 HydrophobicContact CE3-CG2 3.64Å; W826-I829 HydrophobicContact CG-CD1 4.22Å; W826-I829 HydrophobicContact CH2-CD1 4.38Å; W826-I829 HydrophobicContact CZ3-CB 4.35Å; W826-I829 HydrophobicContact CZ3-CD1 3.91Å; W826-I829 HydrophobicContact CZ3-CG2 3.68Å; W826-I829 PolarHBondContact O-N 2.79Å; W826-T834 HydrophobicContact CE3-CG2 3.61Å; W826-T834 HydrophobicContact CZ3-CG2 3.81Å; W826-I837 HydrophobicContact CH2-CD1 3.55Å; W826-I837 HydrophobicContact CZ3-CD1 3.89Å
827	K	93	Very high	91.6	Very high	174 Å²	174	66.6 Å²	66.6	76%	0.757	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.4	168.6	179.8	174.3	178	178.2	0	113.6	V823 P825	V823-K827 HydrophobicContact CG1-CB 4.1Å; V823-K827 HydrophobicContact CG1-CD 4.15Å; V823-K827 WeakPolarHBondContact O-CB 3.46Å; V823-K827 PolarHBondContact O-N 3.22Å; P825-K827 VanDerWaalsContact C-N 3.28Å; P825-K827 PolarHBondContact O-N 3.39Å; P825-K827 VanDerWaalsContact O-N 3.1Å
828	K	93	Very high	92.3	Very high	179 Å²	179	68 Å²	68	78%	0.778	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	4.1	177.8	-61.6	-168.6	179.2	-171.8	0	113.6	P825 W826	P825-K828 PolarHBondContact O-N 2.85Å; W826-K828 PolarHBondContact O-N 3.3Å; W826-K828 VanDerWaalsContact O-N 3.14Å
829	I	96.1	Very high	93	Very high	21 Å²	21	66.7 Å²	66.7	11%	0.108	33%	0.333	C	S	.	.	S	Bend	trans	-102.2	142.7	-179.8	-67.2	165.8	0	0	0	109	E701 L798 P825 W826 A833	E701-I829 WeakPolarHBondContact OE1-CA 3.15Å; L798-I829 HydrophobicContact CB-CD1 3.93Å; L798-I829 HydrophobicContact CD1-CG2 4.29Å; P825-I829 HydrophobicContact CB-CD1 4.27Å; P825-I829 HydrophobicContact CG-CD1 4.06Å; W826-I829 HydrophobicContact CD2-CD1 3.7Å; W826-I829 HydrophobicContact CE3-CB 3.84Å; W826-I829 HydrophobicContact CE3-CD1 3.53Å; W826-I829 HydrophobicContact CE3-CG1 4.27Å; W826-I829 HydrophobicContact CE3-CG2 3.64Å; W826-I829 HydrophobicContact CG-CD1 4.22Å; W826-I829 HydrophobicContact CH2-CD1 4.38Å; W826-I829 HydrophobicContact CZ3-CB 4.35Å; W826-I829 HydrophobicContact CZ3-CD1 3.91Å; W826-I829 HydrophobicContact CZ3-CG2 3.68Å; W826-I829 PolarHBondContact O-N 2.79Å; I829-A833 HydrophobicContact CG2-CB 3.7Å
830	S	97.4	Very high	93.6	Very high	36 Å²	36	65 Å²	65	25%	0.252	33%	0.325	S	S	.	.			trans	-63.3	148.2	-178.3	66.3	0	0	0	0	113	E701 D832 A833 T834	E701-S830 PolarHBondContact OE1-N 2.88Å; E701-S830 VanDerWaalsContact OE2-CB 3.25Å; E701-S830 WeakPolarHBondContact OE2-CB 3.41Å; E701-S830 PolarHBondContact OE2-OG 2.7Å; S830-D832 VanDerWaalsContact C-N 3.29Å; S830-D832 PolarHBondContact O-N 2.83Å; S830-A833 WeakPolarHBondContact O-CB 3.28Å; S830-A833 PolarHBondContact O-N 2.95Å; S830-A833 WeakPolarHBondContact OG-CB 3.23Å; S830-A833 PolarHBondContact OG-N 2.95Å; S830-T834 PolarHBondContact O-N 2.93Å
831	K	97.4	Very high	94.1	Very high	177 Å²	177	58.5 Å²	58.5	77%	0.77	29%	0.293	S	S	*	.	H	α-helix	trans	-63	-39.4	176.7	-70.6	-176.7	173.3	179.1	0	111.3	A833 T834 D835	K831-A833 PolarHBondContact O-N 3.11Å; K831-T834 CarbonylContact O-C 3.53Å; K831-T834 PolarHBondContact O-N 2.79Å; K831-T834 PolarHBondContact O-OG1 2.92Å; K831-D835 PolarHBondContact O-N 3.06Å
832	D	98	Very high	94.3	Very high	67 Å²	67	58.1 Å²	58.1	36%	0.358	29%	0.294	S	S	.	.	H	α-helix	trans	-56.8	-34.8	174.5	-60.9	55.4	0	0	0	112.5	S830 L836 H857 S858 Y859	S830-D832 VanDerWaalsContact C-N 3.29Å; S830-D832 PolarHBondContact O-N 2.83Å; D832-L836 PolarHBondContact O-N 2.98Å; D832-L836 VanDerWaalsContact O-N 3.07Å; D832-H857 PolarHBondContact O-CE1 2.9Å; D832-H857 VanDerWaalsContact O-CE1 3.29Å; D832-S858 VanDerWaalsContact OD2-CB 3.31Å; D832-S858 WeakPolarHBondContact OD2-CB 3.49Å; D832-S858 PolarHBondContact OD2-OG 3.44Å; D832-Y859 HydrophobicContact CB-CD2 4.17Å
833	A	98.1	Very high	94.7	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-48.3	172.2	0	0	0	0	0	111.3	M794 L798 I829 S830 K831 D835 L836 I837 Y859	M794-A833 HydrophobicContact CE-CB 3.8Å; M794-A833 VanDerWaalsContact CE-O 3.29Å; M794-A833 WeakPolarHBondContact CE-O 3.21Å; L798-A833 HydrophobicContact CD1-CB 4.02Å; I829-A833 HydrophobicContact CG2-CB 3.7Å; S830-A833 WeakPolarHBondContact O-CB 3.28Å; S830-A833 PolarHBondContact O-N 2.95Å; S830-A833 WeakPolarHBondContact OG-CB 3.23Å; S830-A833 PolarHBondContact OG-N 2.95Å; K831-A833 PolarHBondContact O-N 3.11Å; A833-D835 VanDerWaalsContact C-N 3.33Å; A833-D835 PolarHBondContact O-N 3.28Å; A833-L836 PolarHBondContact O-N 2.92Å; A833-I837 WeakPolarHBondContact O-CG1 3.49Å; A833-I837 PolarHBondContact O-N 3.29Å; A833-I837 VanDerWaalsContact O-N 3.08Å; A833-Y859 HydrophobicContact CB-CD2 3.8Å; A833-Y859 HydrophobicContact CB-CE2 3.44Å; A833-Y859 VanDerWaalsContact CB-CE2 3.44Å
834	T	97.7	Very high	95.1	Very high	29 Å²	29	60.4 Å²	60.4	18%	0.178	29%	0.294	C	S	.	.	H	α-helix	trans	-66.4	-33.7	178.8	59.7	0	0	0	0	112.5	Y821 W826 S830 K831 I837 N838	Y821-T834 HydrophobicContact CD1-CG2 3.96Å; Y821-T834 HydrophobicContact CD2-CG2 4.34Å; Y821-T834 HydrophobicContact CE1-CG2 3.76Å; Y821-T834 HydrophobicContact CE2-CG2 4.19Å; Y821-T834 HydrophobicContact CG-CG2 4.22Å; Y821-T834 PolarHBondContact OH-O 3.08Å; Y821-T834 VanDerWaalsContact OH-O 3.04Å; W826-T834 HydrophobicContact CE3-CG2 3.61Å; W826-T834 HydrophobicContact CZ3-CG2 3.81Å; S830-T834 PolarHBondContact O-N 2.93Å; K831-T834 CarbonylContact O-C 3.53Å; K831-T834 PolarHBondContact O-N 2.79Å; K831-T834 PolarHBondContact O-OG1 2.92Å; T834-I837 PolarHBondContact O-N 2.97Å; T834-N838 WeakPolarHBondContact O-CB 3.49Å; T834-N838 PolarHBondContact O-N 3.02Å; T834-N838 PolarHBondContact O-ND2 3.36Å; T834-N838 VanDerWaalsContact O-ND2 3.11Å; T834-N838 PolarHBondContact O-OD1 3.33Å
835	D	98.3	Very high	95.3	Very high	76 Å²	76	56.1 Å²	56.1	41%	0.406	27%	0.27	S	S	.	.	H	α-helix	trans	-69.1	-43.1	177.1	-157.7	70.2	0	0	0	111.5	K831 A833 I837 N838 N839 H857	K831-D835 PolarHBondContact O-N 3.06Å; A833-D835 VanDerWaalsContact C-N 3.33Å; A833-D835 PolarHBondContact O-N 3.28Å; D835-I837 VanDerWaalsContact C-N 3.33Å; D835-I837 PolarHBondContact O-N 3.37Å; D835-N838 PolarHBondContact O-N 3.44Å; D835-N839 WeakPolarHBondContact O-CB 3.37Å; D835-N839 PolarHBondContact O-N 2.81Å; D835-N839 PolarHBondContact O-ND2 3.39Å; D835-N839 PolarHBondContact OD2-ND2 2.59Å; D835-H857 IonicContact OD2-NE2 2.84Å
836	L	98.5	Very high	95.3	Very high	0 Å²	0	67 Å²	67	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.6	-43	174.1	-177	54.9	0	0	0	111.5	M794 D832 A833 N839 L840 H857 Y859 L860	M794-L836 HydrophobicContact CE-CB 4.24Å; M794-L836 HydrophobicContact CE-CD2 4.21Å; M794-L836 HydrophobicContact CE-CG 4.49Å; M794-L836 HydrophobicContact SD-CB 4.39Å; M794-L836 HydrophobicContact SD-CD2 3.84Å; M794-L836 HydrophobicContact SD-CG 4.06Å; D832-L836 PolarHBondContact O-N 2.98Å; D832-L836 VanDerWaalsContact O-N 3.07Å; A833-L836 PolarHBondContact O-N 2.92Å; L836-N839 PolarHBondContact O-N 3.35Å; L836-L840 HydrophobicContact CD1-CD1 4.07Å; L836-L840 HydrophobicContact CD1-CG 4.17Å; L836-L840 HydrophobicContact CG-CD1 3.9Å; L836-L840 HydrophobicContact CG-CG 4.45Å; L836-L840 WeakPolarHBondContact O-CB 3.49Å; L836-L840 VanDerWaalsContact O-CG 3.26Å; L836-L840 WeakPolarHBondContact O-CG 3.26Å; L836-L840 PolarHBondContact O-N 2.91Å; L836-H857 HydrophobicContact CD1-CB 4.02Å; L836-Y859 HydrophobicContact CD2-CD1 3.71Å; L836-Y859 HydrophobicContact CD2-CG 4.38Å; L836-L860 HydrophobicContact CD2-CD1 4.36Å; L836-L860 HydrophobicContact CD2-CG 4.23Å
837	I	98.4	Very high	95.3	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.5	-45.7	175.1	-67.5	165.7	0	0	0	111	M794 Y795 L798 F819 Y821 W826 A833 T834 D835 N839 L840 L841	M794-I837 HydrophobicContact CB-CG1 4.22Å; M794-I837 HydrophobicContact CE-CD1 4.09Å; M794-I837 HydrophobicContact CE-CG1 3.88Å; M794-I837 HydrophobicContact CG-CD1 4.1Å; M794-I837 HydrophobicContact CG-CG1 3.92Å; M794-I837 HydrophobicContact SD-CD1 4.42Å; M794-I837 HydrophobicContact SD-CG1 3.79Å; Y795-I837 HydrophobicContact CD2-CG2 4.44Å; L798-I837 HydrophobicContact CD1-CD1 4.36Å; F819-I837 HydrophobicContact CE2-CG2 4.28Å; F819-I837 HydrophobicContact CZ-CG2 4.47Å; Y821-I837 HydrophobicContact CE1-CG2 4.44Å; Y821-I837 WeakPolarHBondContact OH-CB 3.46Å; Y821-I837 VanDerWaalsContact OH-CG2 3.31Å; Y821-I837 WeakPolarHBondContact OH-CG2 3.35Å; W826-I837 HydrophobicContact CH2-CD1 3.55Å; W826-I837 HydrophobicContact CZ3-CD1 3.89Å; A833-I837 WeakPolarHBondContact O-CG1 3.49Å; A833-I837 PolarHBondContact O-N 3.29Å; A833-I837 VanDerWaalsContact O-N 3.08Å; T834-I837 PolarHBondContact O-N 2.97Å; D835-I837 VanDerWaalsContact C-N 3.33Å; D835-I837 PolarHBondContact O-N 3.37Å; I837-N839 PolarHBondContact O-N 3.18Å; I837-L840 PolarHBondContact O-N 3.29Å; I837-L840 VanDerWaalsContact O-N 3.14Å; I837-L841 HydrophobicContact CG2-CD1 3.66Å; I837-L841 HydrophobicContact CG2-CG 4.14Å; I837-L841 WeakPolarHBondContact O-CB 3.31Å; I837-L841 PolarHBondContact O-N 3.35Å
838	N	97.6	Very high	95.4	Very high	54 Å²	54	65.3 Å²	65.3	29%	0.289	30%	0.301	S	S	.	.	H	α-helix	trans	-59.8	-35.1	177.1	-67	-22.6	0	0	0	112.5	Y821 T834 D835 Q842	Y821-N838 WeakPolarHBondContact CE2-OD1 3.29Å; Y821-N838 PolarHBondContact OH-OD1 3.01Å; T834-N838 WeakPolarHBondContact O-CB 3.49Å; T834-N838 PolarHBondContact O-N 3.02Å; T834-N838 PolarHBondContact O-ND2 3.36Å; T834-N838 VanDerWaalsContact O-ND2 3.11Å; T834-N838 PolarHBondContact O-OD1 3.33Å; D835-N838 PolarHBondContact O-N 3.44Å; N838-Q842 PolarHBondContact O-NE2 3.29Å
839	N	98.1	Very high	95.6	Very high	28 Å²	28	58.5 Å²	58.5	15%	0.15	27%	0.271	C	S	.	.	H	α-helix	trans	-78.8	-24.4	178.2	-79.2	-64.3	0	0	0	113.5	D835 L836 I837 Y849	D835-N839 WeakPolarHBondContact O-CB 3.37Å; D835-N839 PolarHBondContact O-N 2.81Å; D835-N839 PolarHBondContact O-ND2 3.39Å; D835-N839 PolarHBondContact OD2-ND2 2.59Å; L836-N839 PolarHBondContact O-N 3.35Å; I837-N839 PolarHBondContact O-N 3.18Å; N839-Y849 HydrophobicContact CB-CD1 3.59Å; N839-Y849 HydrophobicContact CB-CD2 4.18Å; N839-Y849 HydrophobicContact CB-CE1 3.45Å; N839-Y849 VanDerWaalsContact CB-CE1 3.45Å; N839-Y849 HydrophobicContact CB-CE2 4.09Å; N839-Y849 HydrophobicContact CB-CG 3.95Å; N839-Y849 PolarHBondContact O-N 3.41Å; N839-Y849 VanDerWaalsContact O-N 3.16Å; N839-Y849 WeakPolarHBondContact OD1-CE1 3.31Å; N839-Y849 VanDerWaalsContact OD1-CZ 3.32Å; N839-Y849 PolarHBondContact OD1-OH 2.83Å
840	L	97.8	Very high	95.7	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-84.7	-35.5	172.7	-70.6	169.1	0	0	0	112.7	M787 V790 L836 I837 Q842 R848 S854	M787-L840 HydrophobicContact CB-CD2 4.3Å; M787-L840 HydrophobicContact CE-CD2 3.62Å; M787-L840 WeakPolarHBondContact O-CD2 3.37Å; V790-L840 HydrophobicContact CG1-CD1 4.1Å; L836-L840 HydrophobicContact CD1-CD1 4.07Å; L836-L840 HydrophobicContact CD1-CG 4.17Å; L836-L840 HydrophobicContact CG-CD1 3.9Å; L836-L840 HydrophobicContact CG-CG 4.45Å; L836-L840 WeakPolarHBondContact O-CB 3.49Å; L836-L840 VanDerWaalsContact O-CG 3.26Å; L836-L840 WeakPolarHBondContact O-CG 3.26Å; L836-L840 PolarHBondContact O-N 2.91Å; I837-L840 PolarHBondContact O-N 3.29Å; I837-L840 VanDerWaalsContact O-N 3.14Å; L840-Q842 PolarHBondContact O-N 3.07Å; L840-R848 WeakPolarHBondContact O-CD 3.36Å; L840-R848 WeakPolarHBondContact O-CG 3.37Å; L840-S854 WeakPolarHBondContact CD2-OG 3.45Å
841	L	95.9	Very high	95.7	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.01	27%	0.274	C	S	.	.	S	Bend	trans	-89.7	35.9	178.9	-60.8	-176.6	0	0	0	112.9	W788 V792 A817 F819 I837	W788-L841 HydrophobicContact CD2-CD2 3.79Å; W788-L841 HydrophobicContact CE3-CB 4.38Å; W788-L841 HydrophobicContact CE3-CD2 4.04Å; W788-L841 HydrophobicContact CG-CD2 4.18Å; W788-L841 HydrophobicContact CZ2-CD2 4.36Å; W788-L841 VanDerWaalsContact CZ3-C 3.43Å; W788-L841 HydrophobicContact CZ3-CB 4.19Å; W788-L841 HydrophobicContact CZ3-CD2 4.44Å; W788-L841 WeakPolarHBondContact CZ3-O 3.42Å; W788-L841 WeakPolarHBondContact O-CD2 3.25Å; V792-L841 HydrophobicContact CG2-CD2 3.82Å; A817-L841 WeakPolarHBondContact CB-O 3.42Å; F819-L841 HydrophobicContact CD1-CB 4.45Å; F819-L841 HydrophobicContact CD1-CD1 3.98Å; F819-L841 HydrophobicContact CD2-CD1 4.48Å; F819-L841 HydrophobicContact CE1-CB 3.54Å; F819-L841 HydrophobicContact CE1-CD1 3.64Å; F819-L841 HydrophobicContact CE1-CG 4.24Å; F819-L841 HydrophobicContact CE2-CD1 4.18Å; F819-L841 HydrophobicContact CG-CD1 4.4Å; F819-L841 HydrophobicContact CZ-CB 3.88Å; F819-L841 HydrophobicContact CZ-CD1 3.76Å; F819-L841 HydrophobicContact CZ-CG 4.41Å; I837-L841 HydrophobicContact CG2-CD1 3.66Å; I837-L841 HydrophobicContact CG2-CG 4.14Å; I837-L841 WeakPolarHBondContact O-CB 3.31Å; I837-L841 PolarHBondContact O-N 3.35Å
842	Q	94.9	Very high	95.6	Very high	56 Å²	56	54.3 Å²	54.3	26%	0.262	26%	0.259	S	S	.	.			trans	-78.4	122.9	173.4	-72.3	-66.3	-60.6	0	0	111.4	N838 L840 K844 K847 R848	N838-Q842 PolarHBondContact O-NE2 3.29Å; L840-Q842 PolarHBondContact O-N 3.07Å; Q842-K844 VanDerWaalsContact C-N 3.34Å; Q842-K844 PolarHBondContact O-N 3.17Å; Q842-K847 HydrophobicContact CB-CB 4.2Å; Q842-K847 HydrophobicContact CG-CB 4.11Å; Q842-R848 HydrophobicContact CB-CB 4.02Å; Q842-R848 HydrophobicContact CB-CG 4.31Å; Q842-R848 PolarHBondContact O-NE 3.44Å; Q842-R848 PolarHBondContact O-NH2 2.95Å
843	V	90.9	Very high	95.6	Very high	48 Å²	48	56.3 Å²	56.3	29%	0.291	27%	0.265	S	S	.	.	S	Bend	trans	-56.8	-46.3	174	-177.1	0	0	0	0	111.6	P773 Q815 A817 M845	P773-V843 HydrophobicContact CB-CG1 4.22Å; P773-V843 HydrophobicContact CG-CB 4.31Å; P773-V843 HydrophobicContact CG-CG1 3.92Å; Q815-V843 VanDerWaalsContact O-CG1 3.27Å; Q815-V843 WeakPolarHBondContact O-CG1 3.34Å; Q815-V843 WeakPolarHBondContact O-CG2 3.45Å; A817-V843 HydrophobicContact CB-CG2 3.51Å; V843-M845 PolarHBondContact O-N 3.3Å
844	K	89.3	Confident	95.6	Very high	154 Å²	154	56.3 Å²	56.3	67%	0.67	27%	0.265	S	S	*	.	S	Bend	trans	-78.9	104.6	-179.9	-65.9	-173.4	179.5	-177.2	0	109.3	Q842 R846 K847 R848	Q842-K844 VanDerWaalsContact C-N 3.34Å; Q842-K844 PolarHBondContact O-N 3.17Å; K844-R846 PolarHBondContact O-N 2.77Å; K844-K847 HydrophobicContact CB-CB 4.5Å; K844-K847 HydrophobicContact CB-CG 4.43Å; K844-K847 WeakPolarHBondContact O-CA 3.5Å; K844-K847 WeakPolarHBondContact O-CB 3.41Å; K844-K847 PolarHBondContact O-N 2.66Å; K844-R848 PolarHBondContact O-N 3.26Å
845	M	88.8	Confident	95.6	Very high	39 Å²	39	56.1 Å²	56.1	19%	0.192	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-40.6	-41.9	178.5	-69.9	177.5	-89.7	0	0	114.4	E774 G780 S784 V843 K847 R848	E774-M845 HydrophobicContact CB-CE 3.78Å; E774-M845 HydrophobicContact CB-CG 4.48Å; E774-M845 HydrophobicContact CB-SD 4.03Å; E774-M845 HydrophobicContact CG-CE 4.26Å; E774-M845 HydrophobicContact CG-CG 4.22Å; E774-M845 HydrophobicContact CG-SD 3.81Å; G780-M845 WeakPolarHBondContact O-CE 3.22Å; S784-M845 WeakPolarHBondContact OG-CG 3.44Å; V843-M845 PolarHBondContact O-N 3.3Å; M845-K847 VanDerWaalsContact C-N 3.28Å; M845-K847 PolarHBondContact O-N 3.33Å; M845-R848 WeakPolarHBondContact O-CB 3.05Å; M845-R848 PolarHBondContact O-N 3.44Å
846	R	88.3	Confident	95.5	Very high	251 Å²	251	56.7 Å²	56.7	95%	0.947	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.6	179.3	-61.3	-175.8	-171.3	160.7	2.8	115.4	K844	K844-R846 PolarHBondContact O-N 2.77Å
847	K	93.3	Very high	95.4	Very high	139 Å²	139	57.6 Å²	57.6	60%	0.604	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-22.3	171.8	-72.8	-165.2	168.7	-161.2	0	112.5	Q842 K844 M845	Q842-K847 HydrophobicContact CB-CB 4.2Å; Q842-K847 HydrophobicContact CG-CB 4.11Å; K844-K847 HydrophobicContact CB-CB 4.5Å; K844-K847 HydrophobicContact CB-CG 4.43Å; K844-K847 WeakPolarHBondContact O-CA 3.5Å; K844-K847 WeakPolarHBondContact O-CB 3.41Å; K844-K847 PolarHBondContact O-N 2.66Å; M845-K847 VanDerWaalsContact C-N 3.28Å; M845-K847 PolarHBondContact O-N 3.33Å
848	R	96.3	Very high	95.4	Very high	15 Å²	15	60.7 Å²	60.7	6%	0.057	30%	0.298	C	S	.	.	S	Bend	trans	-64.2	140.1	179.1	-156.7	177.9	-60.4	151.6	3.7	109.7	E774 S784 L840 Q842 K844 M845	E774-R848 IonicContact OE1-CZ 2.69Å; E774-R848 IonicContact OE1-NH1 3.57Å; E774-R848 PolarHBondContact OE1-NH1 3.02Å; E774-R848 IonicContact OE1-NH2 3.51Å; E774-R848 PolarHBondContact OE1-NH2 3.4Å; E774-R848 IonicContact OE2-CZ 3.7Å; E774-R848 IonicContact OE2-NH1 3.55Å; E774-R848 IonicContact OE2-NH2 2.7Å; E774-R848 PolarHBondContact OE2-NH2 3.22Å; S784-R848 WeakPolarHBondContact O-CD 3.43Å; S784-R848 PolarHBondContact O-NH1 2.98Å; L840-R848 WeakPolarHBondContact O-CD 3.36Å; L840-R848 WeakPolarHBondContact O-CG 3.37Å; Q842-R848 HydrophobicContact CB-CB 4.02Å; Q842-R848 HydrophobicContact CB-CG 4.31Å; Q842-R848 PolarHBondContact O-NE 3.44Å; Q842-R848 PolarHBondContact O-NH2 2.95Å; K844-R848 PolarHBondContact O-N 3.26Å; M845-R848 WeakPolarHBondContact O-CB 3.05Å; M845-R848 PolarHBondContact O-N 3.44Å
849	Y	97.7	Very high	95.4	Very high	35 Å²	35	58.2 Å²	58.2	14%	0.137	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-69.8	144.6	-178.4	-82.2	32.6	0	0	0	111.3	M787 N839 K853 S854	M787-Y849 WeakPolarHBondContact CG-O 3.31Å; N839-Y849 HydrophobicContact CB-CD1 3.59Å; N839-Y849 HydrophobicContact CB-CD2 4.18Å; N839-Y849 HydrophobicContact CB-CE1 3.45Å; N839-Y849 VanDerWaalsContact CB-CE1 3.45Å; N839-Y849 HydrophobicContact CB-CE2 4.09Å; N839-Y849 HydrophobicContact CB-CG 3.95Å; N839-Y849 PolarHBondContact O-N 3.41Å; N839-Y849 VanDerWaalsContact O-N 3.16Å; N839-Y849 WeakPolarHBondContact OD1-CE1 3.31Å; N839-Y849 VanDerWaalsContact OD1-CZ 3.32Å; N839-Y849 PolarHBondContact OD1-OH 2.83Å; Y849-K853 HydrophobicContact CD1-CD 3.87Å; Y849-K853 HydrophobicContact CD2-CB 3.94Å; Y849-K853 HydrophobicContact CD2-CD 3.69Å; Y849-K853 HydrophobicContact CD2-CG 3.59Å; Y849-K853 HydrophobicContact CE1-CD 3.92Å; Y849-K853 HydrophobicContact CE2-CD 3.72Å; Y849-K853 HydrophobicContact CE2-CG 3.73Å; Y849-K853 HydrophobicContact CG-CB 4.25Å; Y849-K853 HydrophobicContact CG-CD 3.78Å; Y849-K853 HydrophobicContact CG-CG 4.1Å; Y849-K853 PolarHBondContact OH-NZ 3.08Å; Y849-S854 WeakPolarHBondContact CB-OG 3.21Å
850	S	96.9	Very high	95.3	Very high	58 Å²	58	57.3 Å²	57.3	41%	0.406	28%	0.28	S	S	.	.	P	Polyproline II helix	trans	-79.2	167	165.3	60.1	0	0	0	0	110.5	D852 K853 S854	S850-D852 VanDerWaalsContact C-N 3.29Å; S850-D852 PolarHBondContact O-N 3.11Å; S850-K853 PolarHBondContact O-N 2.9Å; S850-K853 PolarHBondContact OG-N 3.04Å; S850-S854 PolarHBondContact O-N 3.03Å; S850-S854 PolarHBondContact O-OG 3.05Å
851	V	97.4	Very high	95.1	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.018	30%	0.297	C	S	.	.	H	α-helix	trans	-48.9	-51.4	175.3	177.4	0	0	0	0	111.6	L712 L715 R716 M787 K853 S854 L855	L712-V851 HydrophobicContact CB-CG1 4.18Å; L712-V851 HydrophobicContact CD2-CG1 4.27Å; L712-V851 WeakPolarHBondContact O-CG1 3.36Å; L715-V851 HydrophobicContact CB-CG2 3.88Å; R716-V851 HydrophobicContact CB-CG1 3.8Å; R716-V851 HydrophobicContact CG-CG1 4.38Å; M787-V851 HydrophobicContact CE-CG2 4.4Å; M787-V851 HydrophobicContact SD-CB 4.37Å; M787-V851 HydrophobicContact SD-CG2 3.5Å; M787-V851 WeakPolarHBondContact SD-CG2 3.19Å; V851-K853 PolarHBondContact O-N 3.45Å; V851-S854 WeakPolarHBondContact O-CB 3.39Å; V851-S854 PolarHBondContact O-N 3.46Å; V851-L855 HydrophobicContact CG1-CD1 3.94Å; V851-L855 HydrophobicContact CG1-CG 4.45Å; V851-L855 WeakPolarHBondContact O-CG 3.09Å; V851-L855 PolarHBondContact O-N 3.35Å
852	D	96	Very high	94.9	Very high	86 Å²	86	62.8 Å²	62.8	46%	0.46	31%	0.307	S	S	.	.	H	α-helix	trans	-66.9	-41.7	-174.8	-40.8	-79.6	0	0	0	111.2	S850 S854 L855 S856	S850-D852 VanDerWaalsContact C-N 3.29Å; S850-D852 PolarHBondContact O-N 3.11Å; D852-S854 VanDerWaalsContact C-N 3.29Å; D852-S854 PolarHBondContact O-N 2.93Å; D852-L855 PolarHBondContact O-N 3.28Å; D852-S856 PolarHBondContact O-N 3Å; D852-S856 PolarHBondContact O-OG 3.37Å; D852-S856 VanDerWaalsContact O-OG 3.12Å
853	K	97.4	Very high	94.9	Very high	109 Å²	109	60.9 Å²	60.9	47%	0.474	30%	0.297	S	S	.	.	H	α-helix	trans	-67	-30.3	176.5	-159.2	-174.4	176.6	-164.9	0	112.4	Y849 S850 V851	Y849-K853 HydrophobicContact CD1-CD 3.87Å; Y849-K853 HydrophobicContact CD2-CB 3.94Å; Y849-K853 HydrophobicContact CD2-CD 3.69Å; Y849-K853 HydrophobicContact CD2-CG 3.59Å; Y849-K853 HydrophobicContact CE1-CD 3.92Å; Y849-K853 HydrophobicContact CE2-CD 3.72Å; Y849-K853 HydrophobicContact CE2-CG 3.73Å; Y849-K853 HydrophobicContact CG-CB 4.25Å; Y849-K853 HydrophobicContact CG-CD 3.78Å; Y849-K853 HydrophobicContact CG-CG 4.1Å; Y849-K853 PolarHBondContact OH-NZ 3.08Å; S850-K853 PolarHBondContact O-N 2.9Å; S850-K853 PolarHBondContact OG-N 3.04Å; V851-K853 PolarHBondContact O-N 3.45Å
854	S	98.3	Very high	95.1	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-72.3	-41.6	171.6	-67.7	0	0	0	0	112.1	M787 L840 Y849 S850 V851 D852 S856 H857	M787-S854 WeakPolarHBondContact CE-OG 3.2Å; L840-S854 WeakPolarHBondContact CD2-OG 3.45Å; Y849-S854 WeakPolarHBondContact CB-OG 3.21Å; S850-S854 PolarHBondContact O-N 3.03Å; S850-S854 PolarHBondContact O-OG 3.05Å; V851-S854 WeakPolarHBondContact O-CB 3.39Å; V851-S854 PolarHBondContact O-N 3.46Å; D852-S854 VanDerWaalsContact C-N 3.29Å; D852-S854 PolarHBondContact O-N 2.93Å; S854-S856 VanDerWaalsContact C-N 3.33Å; S854-S856 PolarHBondContact O-N 3.3Å; S854-H857 WeakPolarHBondContact O-CB 3.48Å; S854-H857 PolarHBondContact O-N 2.9Å; S854-H857 VanDerWaalsContact O-N 3.15Å
855	L	96.9	Very high	95.4	Very high	24 Å²	24	54.7 Å²	54.7	13%	0.126	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-39.1	174.9	-73	170	0	0	0	112	T709 L712 V851 D852 H857 Q861	T709-L855 HydrophobicContact CG2-CD2 3.86Å; L712-L855 HydrophobicContact CB-CD1 4.48Å; L712-L855 HydrophobicContact CB-CD2 3.65Å; L712-L855 HydrophobicContact CB-CG 3.97Å; L712-L855 HydrophobicContact CD1-CD2 3.98Å; L712-L855 HydrophobicContact CD1-CG 4.23Å; L712-L855 HydrophobicContact CG-CD2 4.48Å; V851-L855 HydrophobicContact CG1-CD1 3.94Å; V851-L855 HydrophobicContact CG1-CG 4.45Å; V851-L855 WeakPolarHBondContact O-CG 3.09Å; V851-L855 PolarHBondContact O-N 3.35Å; D852-L855 PolarHBondContact O-N 3.28Å; L855-H857 PolarHBondContact O-N 3.25Å; L855-Q861 PolarHBondContact O-NE2 2.72Å
856	S	96.1	Very high	95.7	Very high	89 Å²	89	53.2 Å²	53.2	62%	0.622	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-2.1	175.6	-56.5	0	0	0	0	114.9	D852 S854	D852-S856 PolarHBondContact O-N 3Å; D852-S856 PolarHBondContact O-OG 3.37Å; D852-S856 VanDerWaalsContact O-OG 3.12Å; S854-S856 VanDerWaalsContact C-N 3.33Å; S854-S856 PolarHBondContact O-N 3.3Å
857	H	98.1	Very high	96	Very high	18 Å²	18	42.4 Å²	42.4	8%	0.083	22%	0.221	C	C	.	.	S	Bend	trans	-73.4	140.7	-176.7	-168	-90.6	0	0	0	112.3	D832 D835 L836 S854 L855 Y859 L860 Q861	D832-H857 PolarHBondContact O-CE1 2.9Å; D832-H857 VanDerWaalsContact O-CE1 3.29Å; D835-H857 IonicContact OD2-NE2 2.84Å; L836-H857 HydrophobicContact CD1-CB 4.02Å; S854-H857 WeakPolarHBondContact O-CB 3.48Å; S854-H857 PolarHBondContact O-N 2.9Å; S854-H857 VanDerWaalsContact O-N 3.15Å; L855-H857 PolarHBondContact O-N 3.25Å; H857-Y859 WeakPolarHBondContact ND1-CB 3.3Å; H857-Y859 PolarHBondContact ND1-N 2.86Å; H857-Y859 PolarHBondContact O-N 2.9Å; H857-Y859 VanDerWaalsContact O-N 3.07Å; H857-L860 PolarHBondContact O-N 2.88Å; H857-Q861 PolarHBondContact O-N 3.43Å; H857-Q861 VanDerWaalsContact O-N 3.11Å
858	S	96.6	Very high	96.2	Very high	65 Å²	65	36.1 Å²	36.1	46%	0.455	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-38.4	-176.8	56.5	0	0	0	0	113.7	D832 L860 Q861	D832-S858 VanDerWaalsContact OD2-CB 3.31Å; D832-S858 WeakPolarHBondContact OD2-CB 3.49Å; D832-S858 PolarHBondContact OD2-OG 3.44Å; S858-L860 VanDerWaalsContact C-N 3.28Å; S858-L860 PolarHBondContact O-N 2.7Å; S858-Q861 PolarHBondContact O-N 3.26Å
859	Y	97.8	Very high	96.2	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.008	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-42.6	174.8	-176.9	-111.4	0	0	0	113.8	E701 K705 M794 D832 A833 L836 H857	E701-Y859 HydrophobicContact CG-CE2 4.42Å; E701-Y859 WeakPolarHBondContact OE2-CE2 3.33Å; K705-Y859 HydrophobicContact CB-CE1 4.5Å; K705-Y859 HydrophobicContact CD-CE2 4.49Å; K705-Y859 VanDerWaalsContact CD-O 3.25Å; K705-Y859 WeakPolarHBondContact CD-O 3.39Å; K705-Y859 WeakPolarHBondContact CE-O 3.25Å; K705-Y859 HydrophobicContact CG-CD1 4.11Å; K705-Y859 HydrophobicContact CG-CE1 3.53Å; K705-Y859 HydrophobicContact CG-CE2 4.03Å; K705-Y859 VanDerWaalsContact CG-CZ 3.48Å; K705-Y859 PolarHBondContact NZ-O 2.89Å; M794-Y859 HydrophobicContact CE-CD1 3.64Å; M794-Y859 HydrophobicContact CE-CE1 3.27Å; M794-Y859 HydrophobicContact CE-CE2 4.34Å; M794-Y859 HydrophobicContact CE-CG 4.3Å; M794-Y859 HydrophobicContact SD-CD1 4.49Å; M794-Y859 HydrophobicContact SD-CE1 4.17Å; D832-Y859 HydrophobicContact CB-CD2 4.17Å; A833-Y859 HydrophobicContact CB-CD2 3.8Å; A833-Y859 HydrophobicContact CB-CE2 3.44Å; A833-Y859 VanDerWaalsContact CB-CE2 3.44Å; L836-Y859 HydrophobicContact CD2-CD1 3.71Å; L836-Y859 HydrophobicContact CD2-CG 4.38Å; H857-Y859 WeakPolarHBondContact ND1-CB 3.3Å; H857-Y859 PolarHBondContact ND1-N 2.86Å; H857-Y859 PolarHBondContact O-N 2.9Å; H857-Y859 VanDerWaalsContact O-N 3.07Å
860	L	96.9	Very high	96	Very high	9 Å²	9	35.5 Å²	35.5	5%	0.047	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-22.2	-178.9	-57.9	-177	0	0	0	112.8	K705 I708 L712 L836 H857 S858 D862	K705-L860 HydrophobicContact CB-CD2 4.02Å; K705-L860 HydrophobicContact CG-CD2 4.11Å; I708-L860 HydrophobicContact CG2-CD1 4.29Å; I708-L860 HydrophobicContact CG2-CD2 4.41Å; L712-L860 HydrophobicContact CD1-CD1 3.55Å; L836-L860 HydrophobicContact CD2-CD1 4.36Å; L836-L860 HydrophobicContact CD2-CG 4.23Å; H857-L860 PolarHBondContact O-N 2.88Å; S858-L860 VanDerWaalsContact C-N 3.28Å; S858-L860 PolarHBondContact O-N 2.7Å; L860-D862 PolarHBondContact O-N 2.83Å
861	Q	93.9	Very high	95.9	Very high	77 Å²	77	37.1 Å²	37.1	36%	0.36	19%	0.193	S	C	.	.			trans	-79.2	68.1	177.9	-66.8	-62.5	-45.6	0	0	111.7	L855 H857 S858	L855-Q861 PolarHBondContact O-NE2 2.72Å; H857-Q861 PolarHBondContact O-N 3.43Å; H857-Q861 VanDerWaalsContact O-N 3.11Å; S858-Q861 PolarHBondContact O-N 3.26Å
862	D	91.9	Very high	95.8	Very high	42 Å²	42	37.5 Å²	37.5	23%	0.225	20%	0.195	C	C	.	.			trans	-128.7	133.8	-173.7	151	34	0	0	0	111	K705 L860 Q864 T865 W866	K705-D862 IonicContact NZ-OD2 3.87Å; K705-D862 PolarHBondContact NZ-OD2 3.36Å; L860-D862 PolarHBondContact O-N 2.83Å; D862-Q864 VanDerWaalsContact C-N 3.32Å; D862-Q864 PolarHBondContact O-N 3.2Å; D862-Q864 PolarHBondContact OD1-N 3.02Å; D862-T865 PolarHBondContact O-N 3.41Å; D862-T865 PolarHBondContact OD2-N 3.39Å; D862-T865 PolarHBondContact OD2-OG1 2.95Å; D862-W866 PolarHBondContact O-N 3.49Å
863	Y	94.3	Very high	95.7	Very high	16 Å²	16	33.6 Å²	33.6	6%	0.063	17%	0.174	C	C	.	.	H	α-helix	trans	-59	-38.9	-177.3	-177.3	-117.1	0	0	0	113	W866 L867 W890 Y893 A894 L899 S900 Y901	Y863-W866 AromaticContact CD2-CE3 3.85Å; Y863-W866 HydrophobicContact CD2-CE3 3.85Å; Y863-W866 HydrophobicContact CD2-CZ3 4.19Å; Y863-W866 AromaticContact CE2-CE3 3.68Å; Y863-W866 HydrophobicContact CE2-CE3 3.68Å; Y863-W866 AromaticContact CE2-CZ3 3.54Å; Y863-W866 HydrophobicContact CE2-CZ3 3.54Å; Y863-W866 PolarHBondContact O-N 3.34Å; Y863-L867 HydrophobicContact CD1-CD1 4.01Å; Y863-L867 HydrophobicContact CE1-CD1 3.57Å; Y863-L867 HydrophobicContact CE1-CG 4.17Å; Y863-L867 HydrophobicContact CE2-CD2 4.49Å; Y863-L867 HydrophobicContact CE2-CG 4.34Å; Y863-L867 WeakPolarHBondContact O-CG 3.37Å; Y863-L867 PolarHBondContact O-N 2.81Å; Y863-W890 HydrophobicContact CD2-CB 3.87Å; Y863-W890 AromaticContact CD2-CD2 3.91Å; Y863-W890 HydrophobicContact CD2-CD2 3.91Å; Y863-W890 AromaticContact CD2-CE3 3.62Å; Y863-W890 HydrophobicContact CD2-CE3 3.62Å; Y863-W890 HydrophobicContact CD2-CG 4.05Å; Y863-W890 HydrophobicContact CD2-CZ3 4.46Å; Y863-W890 HydrophobicContact CE2-CB 3.92Å; Y863-W890 HydrophobicContact CG-CE3 4.16Å; Y863-Y893 HydrophobicContact CD1-CE1 4.48Å; Y863-Y893 HydrophobicContact CD2-CD1 4.17Å; Y863-Y893 AromaticContact CG-CD1 3.96Å; Y863-Y893 HydrophobicContact CG-CD1 3.96Å; Y863-Y893 HydrophobicContact CG-CE1 4.1Å; Y863-A894 HydrophobicContact CE1-CB 4.44Å; Y863-A894 HydrophobicContact CE2-CB 4.13Å; Y863-A894 WeakPolarHBondContact OH-CB 3.2Å; Y863-L899 HydrophobicContact CD1-CD1 3.65Å; Y863-L899 HydrophobicContact CE1-CB 4.02Å; Y863-L899 HydrophobicContact CE1-CD1 3.88Å; Y863-S900 PolarHBondContact OH-O 2.74Å; Y863-Y901 HydrophobicContact CE2-CD2 4.41Å
864	Q	95	Very high	95.5	Very high	71 Å²	71	31.8 Å²	31.8	33%	0.332	17%	0.172	S	C	.	.	H	α-helix	trans	-70.5	-41.2	178.5	-173.7	62.7	72.2	0	0	111	R702 D862 W866 L867 D868	R702-Q864 HydrophobicContact CG-CG 4.45Å; D862-Q864 VanDerWaalsContact C-N 3.32Å; D862-Q864 PolarHBondContact O-N 3.2Å; D862-Q864 PolarHBondContact OD1-N 3.02Å; Q864-W866 VanDerWaalsContact C-N 3.31Å; Q864-W866 PolarHBondContact O-N 2.75Å; Q864-L867 PolarHBondContact O-N 3.02Å; Q864-D868 PolarHBondContact NE2-OD1 2.59Å; Q864-D868 PolarHBondContact O-N 3.06Å
865	T	95.3	Very high	95.2	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-41	173.7	-62.6	0	0	0	0	111	K705 D862 D868 L869	K705-T865 HydrophobicContact CB-CG2 4.05Å; K705-T865 WeakPolarHBondContact CD-OG1 3.46Å; D862-T865 PolarHBondContact O-N 3.41Å; D862-T865 PolarHBondContact OD2-N 3.39Å; D862-T865 PolarHBondContact OD2-OG1 2.95Å; T865-D868 PolarHBondContact O-N 2.84Å; T865-L869 HydrophobicContact CG2-CD1 3.86Å; T865-L869 HydrophobicContact CG2-CG 4.48Å; T865-L869 WeakPolarHBondContact O-CB 3.45Å; T865-L869 WeakPolarHBondContact O-CD1 3.16Å; T865-L869 WeakPolarHBondContact O-CG 3.21Å; T865-L869 PolarHBondContact O-N 2.85Å; T865-L869 VanDerWaalsContact O-N 3.07Å
866	W	95.3	Very high	95	Very high	7 Å²	7	40.6 Å²	40.6	3%	0.027	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-45.3	173.5	171.2	83.5	0	0	0	112.5	D862 Y863 Q864 D868 L869 R870 D887 W890 Y901 Y905	D862-W866 PolarHBondContact O-N 3.49Å; Y863-W866 AromaticContact CD2-CE3 3.85Å; Y863-W866 HydrophobicContact CD2-CE3 3.85Å; Y863-W866 HydrophobicContact CD2-CZ3 4.19Å; Y863-W866 AromaticContact CE2-CE3 3.68Å; Y863-W866 HydrophobicContact CE2-CE3 3.68Å; Y863-W866 AromaticContact CE2-CZ3 3.54Å; Y863-W866 HydrophobicContact CE2-CZ3 3.54Å; Y863-W866 PolarHBondContact O-N 3.34Å; Q864-W866 VanDerWaalsContact C-N 3.31Å; Q864-W866 PolarHBondContact O-N 2.75Å; W866-D868 VanDerWaalsContact C-N 3.35Å; W866-D868 PolarHBondContact O-N 3.02Å; W866-L869 PolarHBondContact O-N 2.95Å; W866-R870 HydrophobicContact CD2-CG 3.97Å; W866-R870 VanDerWaalsContact CE2-CG 3.46Å; W866-R870 HydrophobicContact CG-CG 4.28Å; W866-R870 HydrophobicContact CH2-CG 4.45Å; W866-R870 HydrophobicContact CZ2-CG 3.74Å; W866-R870 WeakPolarHBondContact O-CG 3.22Å; W866-R870 PolarHBondContact O-N 3.46Å; W866-D887 HydrophobicContact CZ2-CB 4.43Å; W866-D887 VanDerWaalsContact CZ2-OD1 3.29Å; W866-D887 WeakPolarHBondContact CZ2-OD1 3.25Å; W866-D887 PolarHBondContact NE1-OD1 3.08Å; W866-W890 HydrophobicContact CB-CG 4.41Å; W866-W890 AromaticContact CD1-CD1 3.34Å; W866-W890 AromaticContact CD1-NE1 3.52Å; W866-W890 HydrophobicContact CD2-CB 3.95Å; W866-W890 AromaticContact CD2-CD1 3.3Å; W866-W890 AromaticContact CD2-CG 3.74Å; W866-W890 HydrophobicContact CD2-CG 3.74Å; W866-W890 AromaticContact CD2-NE1 3.95Å; W866-W890 AromaticContact CE2-CD1 3.56Å; W866-W890 HydrophobicContact CE3-CB 3.81Å; W866-W890 AromaticContact CE3-CD1 3.97Å; W866-W890 AromaticContact CE3-CG 3.94Å; W866-W890 HydrophobicContact CE3-CG 3.94Å; W866-W890 AromaticContact CG-CD1 3.18Å; W866-W890 AromaticContact CG-CG 3.96Å; W866-W890 HydrophobicContact CG-CG 3.96Å; W866-W890 AromaticContact CG-NE1 3.32Å; W866-W890 VanDerWaalsContact CG-NE1 3.32Å; W866-W890 HydrophobicContact CH2-CB 4.15Å; W866-W890 HydrophobicContact CZ2-CB 4.25Å; W866-W890 HydrophobicContact CZ3-CB 3.91Å; W866-W890 AromaticContact NE1-CD1 3.53Å; W866-Y901 HydrophobicContact CH2-CD2 4.2Å; W866-Y901 AromaticContact CH2-CE2 3.4Å; W866-Y901 HydrophobicContact CH2-CE2 3.4Å; W866-Y901 VanDerWaalsContact CH2-CE2 3.4Å; W866-Y901 AromaticContact CH2-CZ 3.78Å; W866-Y901 HydrophobicContact CZ2-CE2 4.37Å; W866-Y901 HydrophobicContact CZ3-CD2 4.3Å; W866-Y901 AromaticContact CZ3-CE2 3.88Å; W866-Y901 HydrophobicContact CZ3-CE2 3.88Å; W866-Y905 AromaticContact CH2-CD2 3.76Å; W866-Y905 HydrophobicContact CH2-CD2 3.76Å; W866-Y905 HydrophobicContact CH2-CG 4.5Å; W866-Y905 HydrophobicContact CZ2-CD2 4.35Å; W866-Y905 HydrophobicContact CZ3-CD2 4.27Å
867	L	95.1	Very high	94.9	Very high	25 Å²	25	39.9 Å²	39.9	13%	0.131	22%	0.219	C	C	.	.	H	α-helix	trans	-56.7	-47.2	175.8	-76.5	175.4	0	0	0	112	Y863 Q864 L869 R870 E871 P902 Y905	Y863-L867 HydrophobicContact CD1-CD1 4.01Å; Y863-L867 HydrophobicContact CE1-CD1 3.57Å; Y863-L867 HydrophobicContact CE1-CG 4.17Å; Y863-L867 HydrophobicContact CE2-CD2 4.49Å; Y863-L867 HydrophobicContact CE2-CG 4.34Å; Y863-L867 WeakPolarHBondContact O-CG 3.37Å; Y863-L867 PolarHBondContact O-N 2.81Å; Q864-L867 PolarHBondContact O-N 3.02Å; L867-L869 VanDerWaalsContact C-N 3.32Å; L867-L869 PolarHBondContact O-N 3.42Å; L867-R870 PolarHBondContact O-N 3.38Å; L867-E871 PolarHBondContact O-N 2.82Å; L867-P902 HydrophobicContact CD2-CG 3.77Å; L867-Y905 HydrophobicContact CD2-CD2 4.39Å; L867-Y905 HydrophobicContact CD2-CE2 4Å
868	D	96.1	Very high	94.5	Very high	7 Å²	7	43.9 Å²	43.9	4%	0.037	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-41.3	-180	-61.6	-10.2	0	0	0	111.1	R702 F706 F741 Q864 T865 W866 E871 L872	R702-D868 IonicContact CZ-OD1 3.64Å; R702-D868 IonicContact CZ-OD2 2.63Å; R702-D868 IonicContact NE-OD1 3.46Å; R702-D868 IonicContact NE-OD2 2.91Å; R702-D868 PolarHBondContact NE-OD2 3.45Å; R702-D868 IonicContact NH2-OD1 2.74Å; R702-D868 PolarHBondContact NH2-OD1 3.49Å; R702-D868 IonicContact NH2-OD2 2.75Å; R702-D868 PolarHBondContact NH2-OD2 2.69Å; F706-D868 HydrophobicContact CD2-CB 3.74Å; F706-D868 HydrophobicContact CE2-CB 4.11Å; F741-D868 HydrophobicContact CD1-CB 4.42Å; F741-D868 WeakPolarHBondContact CE1-OD2 3.42Å; Q864-D868 PolarHBondContact NE2-OD1 2.59Å; Q864-D868 PolarHBondContact O-N 3.06Å; T865-D868 PolarHBondContact O-N 2.84Å; W866-D868 VanDerWaalsContact C-N 3.35Å; W866-D868 PolarHBondContact O-N 3.02Å; D868-E871 PolarHBondContact O-N 2.79Å; D868-L872 PolarHBondContact O-N 3.49Å; D868-L872 VanDerWaalsContact O-N 3.13Å
869	L	96.3	Very high	94.3	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.031	23%	0.226	C	C	.	.	H	α-helix	trans	-71.5	-39.4	178.2	-66.1	168.4	0	0	0	112.5	F706 T709 Q710 T865 W866 L867 E871 L872 E873 I881 T882	F706-L869 HydrophobicContact CD2-CD2 3.48Å; F706-L869 VanDerWaalsContact CD2-CD2 3.48Å; F706-L869 HydrophobicContact CD2-CG 3.93Å; F706-L869 HydrophobicContact CE2-CD2 3.74Å; F706-L869 HydrophobicContact CE2-CG 4.35Å; F706-L869 HydrophobicContact CG-CD2 4.27Å; T709-L869 HydrophobicContact CG2-CD1 3.64Å; Q710-L869 HydrophobicContact CG-CD2 4.15Å; T865-L869 HydrophobicContact CG2-CD1 3.86Å; T865-L869 HydrophobicContact CG2-CG 4.48Å; T865-L869 WeakPolarHBondContact O-CB 3.45Å; T865-L869 WeakPolarHBondContact O-CD1 3.16Å; T865-L869 WeakPolarHBondContact O-CG 3.21Å; T865-L869 PolarHBondContact O-N 2.85Å; T865-L869 VanDerWaalsContact O-N 3.07Å; W866-L869 PolarHBondContact O-N 2.95Å; L867-L869 VanDerWaalsContact C-N 3.32Å; L867-L869 PolarHBondContact O-N 3.42Å; L869-E871 VanDerWaalsContact C-N 3.29Å; L869-E871 PolarHBondContact O-N 3.28Å; L869-L872 WeakPolarHBondContact O-CB 3.16Å; L869-L872 PolarHBondContact O-N 2.91Å; L869-E873 WeakPolarHBondContact O-CG 3.29Å; L869-E873 PolarHBondContact O-N 3.45Å; L869-I881 HydrophobicContact CD1-CG2 4.16Å; L869-I881 HydrophobicContact CD2-CD1 4.04Å; L869-I881 HydrophobicContact CD2-CG2 4.2Å; L869-T882 HydrophobicContact CB-CG2 3.94Å
870	R	94.1	Very high	94.1	Very high	30 Å²	30	44.3 Å²	44.3	11%	0.113	23%	0.229	C	C	.	.	H	α-helix	trans	-65.1	-33.6	173.2	-67.2	-59.4	-68.4	131.9	-2.7	111.9	W866 L867 E873 T874 T882 D887 Y905	W866-R870 HydrophobicContact CD2-CG 3.97Å; W866-R870 VanDerWaalsContact CE2-CG 3.46Å; W866-R870 HydrophobicContact CG-CG 4.28Å; W866-R870 HydrophobicContact CH2-CG 4.45Å; W866-R870 HydrophobicContact CZ2-CG 3.74Å; W866-R870 WeakPolarHBondContact O-CG 3.22Å; W866-R870 PolarHBondContact O-N 3.46Å; L867-R870 PolarHBondContact O-N 3.38Å; R870-E873 WeakPolarHBondContact CD-OE2 3.37Å; R870-E873 IonicContact CZ-OE2 3.62Å; R870-E873 IonicContact NH1-OE2 2.79Å; R870-E873 PolarHBondContact NH1-OE2 2.94Å; R870-E873 PolarHBondContact O-N 2.95Å; R870-T874 VanDerWaalsContact O-CB 3.29Å; R870-T874 WeakPolarHBondContact O-CB 3.24Å; R870-T874 PolarHBondContact O-N 2.94Å; R870-T874 PolarHBondContact O-OG1 3.15Å; R870-T882 WeakPolarHBondContact CD-OG1 3.44Å; R870-T882 HydrophobicContact CG-CG2 4.49Å; R870-D887 IonicContact NE-OD1 2.59Å; R870-Y905 HydrophobicContact CB-CD1 4.43Å; R870-Y905 HydrophobicContact CB-CD2 4.09Å; R870-Y905 HydrophobicContact CB-CE1 3.91Å; R870-Y905 HydrophobicContact CB-CE2 3.5Å; R870-Y905 VanDerWaalsContact CB-CE2 3.5Å; R870-Y905 VanDerWaalsContact CB-CZ 3.42Å; R870-Y905 HydrophobicContact CG-CD2 4.4Å; R870-Y905 HydrophobicContact CG-CE2 4.24Å
871	E	94.3	Very high	94	Very high	92 Å²	92	44.5 Å²	44.5	43%	0.43	23%	0.23	S	C	.	.	H	α-helix	trans	-66.4	-42	175.2	-164.5	-168.6	134.7	0	0	110.8	L867 D868 L869 T874 K875 Y905	L867-E871 PolarHBondContact O-N 2.82Å; D868-E871 PolarHBondContact O-N 2.79Å; L869-E871 VanDerWaalsContact C-N 3.29Å; L869-E871 PolarHBondContact O-N 3.28Å; E871-T874 PolarHBondContact O-N 3.26Å; E871-K875 WeakPolarHBondContact O-CG 3.35Å; E871-K875 PolarHBondContact O-N 3.42Å; E871-K875 VanDerWaalsContact OE1-CE 3.27Å; E871-K875 WeakPolarHBondContact OE1-CE 3.48Å; E871-K875 IonicContact OE1-NZ 3.64Å; E871-K875 PolarHBondContact OE1-NZ 3.07Å; E871-Y905 VanDerWaalsContact CA-OH 3.29Å; E871-Y905 WeakPolarHBondContact CA-OH 3.3Å; E871-Y905 PolarHBondContact N-OH 2.81Å; E871-Y905 VanDerWaalsContact N-OH 3.09Å
872	L	95.6	Very high	94	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.063	22%	0.218	C	C	.	.	H	α-helix	trans	-61.1	-51.2	172.9	179.4	68	0	0	0	111.9	F706 Q710 Q743 D868 L869 T874 K875 L876 I881	F706-L872 HydrophobicContact CE2-CB 4.21Å; F706-L872 HydrophobicContact CE2-CD2 4.2Å; F706-L872 HydrophobicContact CZ-CB 4.25Å; F706-L872 HydrophobicContact CZ-CD2 3.83Å; F706-L872 HydrophobicContact CZ-CG 4.45Å; Q710-L872 HydrophobicContact CG-CD2 4.33Å; Q743-L872 HydrophobicContact CB-CD1 4.13Å; D868-L872 PolarHBondContact O-N 3.49Å; D868-L872 VanDerWaalsContact O-N 3.13Å; L869-L872 WeakPolarHBondContact O-CB 3.16Å; L869-L872 PolarHBondContact O-N 2.91Å; L872-T874 VanDerWaalsContact C-N 3.27Å; L872-T874 PolarHBondContact O-N 3.39Å; L872-K875 PolarHBondContact O-N 3.43Å; L872-K875 VanDerWaalsContact O-N 3.15Å; L872-L876 HydrophobicContact CD1-CD1 4.02Å; L872-L876 HydrophobicContact CD1-CG 4.39Å; L872-L876 HydrophobicContact CD2-CD1 4.5Å; L872-L876 HydrophobicContact CG-CD1 3.86Å; L872-L876 WeakPolarHBondContact O-CG 3.37Å; L872-L876 PolarHBondContact O-N 3.26Å; L872-I881 HydrophobicContact CD2-CD1 3.99Å
873	E	95.1	Very high	93.8	Very high	3 Å²	3	44.9 Å²	44.9	1%	0.014	23%	0.232	C	C	.	.	H	α-helix	trans	-59.5	-38.6	178.4	-70.9	177.2	142.2	0	0	111.8	L869 R870 L876 G877 E878 R879 Y880 I881 T882	L869-E873 WeakPolarHBondContact O-CG 3.29Å; L869-E873 PolarHBondContact O-N 3.45Å; R870-E873 WeakPolarHBondContact CD-OE2 3.37Å; R870-E873 IonicContact CZ-OE2 3.62Å; R870-E873 IonicContact NH1-OE2 2.79Å; R870-E873 PolarHBondContact NH1-OE2 2.94Å; R870-E873 PolarHBondContact O-N 2.95Å; E873-L876 PolarHBondContact O-N 3.4Å; E873-G877 PolarHBondContact O-N 2.73Å; E873-E878 WeakPolarHBondContact CB-O 3.15Å; E873-E878 PolarHBondContact O-N 2.93Å; E873-R879 WeakPolarHBondContact OE1-CG 3.18Å; E873-Y880 PolarHBondContact OE1-N 3.09Å; E873-I881 HydrophobicContact CG-CD1 4.28Å; E873-I881 WeakPolarHBondContact OE1-CA 3.39Å; E873-I881 WeakPolarHBondContact OE1-CB 3.49Å; E873-I881 PolarHBondContact OE1-N 3.37Å; E873-T882 PolarHBondContact OE1-N 2.87Å; E873-T882 PolarHBondContact OE2-OG1 3.24Å
874	T	92.5	Very high	93.5	Very high	72 Å²	72	49.3 Å²	49.3	44%	0.442	25%	0.253	S	S	.	.	H	α-helix	trans	-66.8	-37.4	176.5	-57.4	0	0	0	0	112.2	R870 E871 L872 L876 Y905	R870-T874 VanDerWaalsContact O-CB 3.29Å; R870-T874 WeakPolarHBondContact O-CB 3.24Å; R870-T874 PolarHBondContact O-N 2.94Å; R870-T874 PolarHBondContact O-OG1 3.15Å; E871-T874 PolarHBondContact O-N 3.26Å; L872-T874 VanDerWaalsContact C-N 3.27Å; L872-T874 PolarHBondContact O-N 3.39Å; T874-L876 VanDerWaalsContact C-N 3.34Å; T874-Y905 WeakPolarHBondContact OG1-CE1 3.42Å
875	K	92.9	Very high	93	Very high	143 Å²	143	49.1 Å²	49.1	62%	0.622	26%	0.259	S	S	*	.	H	α-helix	trans	-69.3	-30.8	174.2	-74.5	165	172.4	171.7	0	113	E871 L872	E871-K875 WeakPolarHBondContact O-CG 3.35Å; E871-K875 PolarHBondContact O-N 3.42Å; E871-K875 VanDerWaalsContact OE1-CE 3.27Å; E871-K875 WeakPolarHBondContact OE1-CE 3.48Å; E871-K875 IonicContact OE1-NZ 3.64Å; E871-K875 PolarHBondContact OE1-NZ 3.07Å; L872-K875 PolarHBondContact O-N 3.43Å; L872-K875 VanDerWaalsContact O-N 3.15Å
876	L	92.4	Very high	92.7	Very high	65 Å²	65	50.3 Å²	50.3	34%	0.34	27%	0.265	S	S	.	.	H	α-helix	trans	-84.4	-21.9	178.5	-67.2	169.8	0	0	0	113.1	L661 Q743 L872 E873 T874 E878 Y880	L661-L876 HydrophobicContact CD1-CD1 4.48Å; Q743-L876 HydrophobicContact CG-CD1 4.33Å; Q743-L876 VanDerWaalsContact NE2-CD1 3.31Å; L872-L876 HydrophobicContact CD1-CD1 4.02Å; L872-L876 HydrophobicContact CD1-CG 4.39Å; L872-L876 HydrophobicContact CD2-CD1 4.5Å; L872-L876 HydrophobicContact CG-CD1 3.86Å; L872-L876 WeakPolarHBondContact O-CG 3.37Å; L872-L876 PolarHBondContact O-N 3.26Å; E873-L876 PolarHBondContact O-N 3.4Å; T874-L876 VanDerWaalsContact C-N 3.34Å; L876-E878 VanDerWaalsContact C-N 3.3Å; L876-Y880 HydrophobicContact CD1-CE1 3.8Å
877	G	92.8	Very high	92.4	Very high	74 Å²	74	50.4 Å²	50.4	76%	0.763	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	79	8.5	-177.2	0	0	0	0	0	114.6	E873	E873-G877 PolarHBondContact O-N 2.73Å
878	E	90.6	Very high	92	Very high	102 Å²	102	52.5 Å²	52.5	48%	0.477	28%	0.283	S	S	.	.			trans	-141.9	137.7	-175.8	-176.7	-175.8	143.6	0	0	110.2	L661 E873 L876	L661-E878 HydrophobicContact CD1-CB 3.7Å; L661-E878 HydrophobicContact CD1-CG 3.84Å; L661-E878 WeakPolarHBondContact CD1-OE2 3.4Å; E873-E878 WeakPolarHBondContact CB-O 3.15Å; E873-E878 PolarHBondContact O-N 2.93Å; L876-E878 VanDerWaalsContact C-N 3.3Å
879	R	92.2	Very high	91.7	Very high	56 Å²	56	57 Å²	57	21%	0.211	30%	0.3	C	S	.	.			trans	-96.7	123.4	175.6	-169.3	-176.4	-154.6	143.2	11	109.9	E873 T882 H883 E884 D887	E873-R879 WeakPolarHBondContact OE1-CG 3.18Å; R879-T882 WeakPolarHBondContact CD-O 3.09Å; R879-T882 WeakPolarHBondContact CG-O 3.32Å; R879-T882 PolarHBondContact NE-O 3.06Å; R879-T882 VanDerWaalsContact NE-O 3.13Å; R879-T882 PolarHBondContact NE-OG1 3.38Å; R879-T882 PolarHBondContact NH2-OG1 2.94Å; R879-H883 VanDerWaalsContact CZ-C 3.45Å; R879-H883 PolarHBondContact NH2-O 2.8Å; R879-E884 WeakPolarHBondContact CD-OE1 3.46Å; R879-E884 IonicContact CZ-OE1 2.78Å; R879-E884 IonicContact NE-OE1 2.71Å; R879-E884 PolarHBondContact NE-OE1 3.19Å; R879-E884 VanDerWaalsContact NH1-CD 3.31Å; R879-E884 IonicContact NH1-OE1 3.77Å; R879-E884 PolarHBondContact NH1-OE1 3.05Å; R879-D887 IonicContact CZ-OD1 3.7Å; R879-D887 IonicContact CZ-OD2 3.47Å; R879-D887 IonicContact NH1-OD1 2.83Å; R879-D887 IonicContact NH1-OD2 3.71Å; R879-D887 PolarHBondContact NH1-OD2 3.21Å; R879-D887 VanDerWaalsContact NH2-CG 3.26Å; R879-D887 IonicContact NH2-OD1 2.66Å; R879-D887 PolarHBondContact NH2-OD1 2.91Å; R879-D887 IonicContact NH2-OD2 2.7Å; R879-D887 PolarHBondContact NH2-OD2 2.8Å
880	Y	93.8	Very high	91.5	Very high	20 Å²	20	57.5 Å²	57.5	8%	0.078	30%	0.301	C	S	.	.			trans	-145.9	-9.8	-177.3	76.3	-82.1	0	0	0	114.8	H660 L661 Q743 E873 L876	H660-Y880 AromaticContact CE1-CD2 3.72Å; H660-Y880 AromaticContact NE2-CD2 3.64Å; L661-Y880 HydrophobicContact CB-CD1 3.82Å; L661-Y880 HydrophobicContact CB-CD2 4.02Å; L661-Y880 HydrophobicContact CB-CE1 3.61Å; L661-Y880 HydrophobicContact CB-CE2 3.82Å; L661-Y880 HydrophobicContact CB-CG 4.01Å; L661-Y880 HydrophobicContact CD1-CD1 3.51Å; L661-Y880 HydrophobicContact CD1-CE1 3.72Å; L661-Y880 HydrophobicContact CD1-CG 4.21Å; L661-Y880 HydrophobicContact CG-CD1 4.3Å; L661-Y880 HydrophobicContact CG-CE1 4.34Å; Q743-Y880 PolarHBondContact NE2-OH 2.79Å; E873-Y880 PolarHBondContact OE1-N 3.09Å; L876-Y880 HydrophobicContact CD1-CE1 3.8Å
881	I	94.7	Very high	91.3	Very high	14 Å²	14	59.5 Å²	59.5	7%	0.072	31%	0.312	C	S	.	.	S	Bend	trans	-108.9	-55.2	-175.6	-50.1	162	0	0	0	109.5	T709 Q710 A713 L869 L872 E873	T709-I881 HydrophobicContact CG2-CG2 3.73Å; Q710-I881 HydrophobicContact CG-CD1 3.85Å; A713-I881 HydrophobicContact CB-CG1 4.45Å; A713-I881 HydrophobicContact CB-CG2 4.26Å; L869-I881 HydrophobicContact CD1-CG2 4.16Å; L869-I881 HydrophobicContact CD2-CD1 4.04Å; L869-I881 HydrophobicContact CD2-CG2 4.2Å; L872-I881 HydrophobicContact CD2-CD1 3.99Å; E873-I881 HydrophobicContact CG-CD1 4.28Å; E873-I881 WeakPolarHBondContact OE1-CA 3.39Å; E873-I881 WeakPolarHBondContact OE1-CB 3.49Å; E873-I881 PolarHBondContact OE1-N 3.37Å
882	T	92.9	Very high	91.1	Very high	15 Å²	15	62 Å²	62	9%	0.092	33%	0.326	C	S	.	.	S	Bend	trans	-91.3	167.1	179.9	75.5	0	0	0	0	111.3	L869 R870 E873 R879	L869-T882 HydrophobicContact CB-CG2 3.94Å; R870-T882 WeakPolarHBondContact CD-OG1 3.44Å; R870-T882 HydrophobicContact CG-CG2 4.49Å; E873-T882 PolarHBondContact OE1-N 2.87Å; E873-T882 PolarHBondContact OE2-OG1 3.24Å; R879-T882 WeakPolarHBondContact CD-O 3.09Å; R879-T882 WeakPolarHBondContact CG-O 3.32Å; R879-T882 PolarHBondContact NE-O 3.06Å; R879-T882 VanDerWaalsContact NE-O 3.13Å; R879-T882 PolarHBondContact NE-OG1 3.38Å; R879-T882 PolarHBondContact NH2-OG1 2.94Å
883	H	89.4	Confident	91	Very high	112 Å²	112	66 Å²	66	52%	0.519	34%	0.34	S	S	.	.			trans	-128	153.3	178.9	-175.7	-114.6	0	0	0	111.7	R879 S885 D886	R879-H883 VanDerWaalsContact CZ-C 3.45Å; R879-H883 PolarHBondContact NH2-O 2.8Å; H883-S885 PolarHBondContact ND1-OG 2.89Å; H883-S885 PolarHBondContact O-N 3.24Å; H883-S885 VanDerWaalsContact O-N 3.09Å; H883-D886 PolarHBondContact N-OD2 3.07Å; H883-D886 WeakPolarHBondContact O-CA 3.46Å; H883-D886 WeakPolarHBondContact O-CB 3.37Å; H883-D886 PolarHBondContact O-N 3.41Å
884	E	86.8	Confident	90.8	Very high	108 Å²	108	65.9 Å²	65.9	51%	0.505	34%	0.34	S	S	.	.	H	α-helix	trans	-52.3	-34.3	-177.5	-76.5	54.5	-133.3	0	0	113	R879 D886 D887	R879-E884 WeakPolarHBondContact CD-OE1 3.46Å; R879-E884 IonicContact CZ-OE1 2.78Å; R879-E884 IonicContact NE-OE1 2.71Å; R879-E884 PolarHBondContact NE-OE1 3.19Å; R879-E884 VanDerWaalsContact NH1-CD 3.31Å; R879-E884 IonicContact NH1-OE1 3.77Å; R879-E884 PolarHBondContact NH1-OE1 3.05Å; E884-D886 PolarHBondContact O-N 3.46Å; E884-D887 WeakPolarHBondContact O-CB 3.48Å; E884-D887 PolarHBondContact O-N 3.21Å; E884-D887 VanDerWaalsContact O-N 3.15Å
885	S	85.5	Confident	90.9	Very high	68 Å²	68	67.6 Å²	67.6	48%	0.476	35%	0.351	S	S	.	.	H	α-helix	trans	-63.3	-25.4	175.2	60.3	0	0	0	0	114	H883 D887	H883-S885 PolarHBondContact ND1-OG 2.89Å; H883-S885 PolarHBondContact O-N 3.24Å; H883-S885 VanDerWaalsContact O-N 3.09Å; S885-D887 VanDerWaalsContact C-N 3.31Å
886	D	88.1	Confident	91	Very high	25 Å²	25	68.9 Å²	68.9	13%	0.134	36%	0.356	C	S	.	.	H	α-helix	trans	-67.6	-34.3	175.8	-61	-41	0	0	0	111	H883 E884 S888 R889 W890	H883-D886 PolarHBondContact N-OD2 3.07Å; H883-D886 WeakPolarHBondContact O-CA 3.46Å; H883-D886 WeakPolarHBondContact O-CB 3.37Å; H883-D886 PolarHBondContact O-N 3.41Å; E884-D886 PolarHBondContact O-N 3.46Å; D886-S888 PolarHBondContact O-N 2.86Å; D886-R889 PolarHBondContact O-N 2.96Å; D886-R889 IonicContact OD1-CZ 3.46Å; D886-R889 IonicContact OD1-NH1 2.69Å; D886-R889 PolarHBondContact OD1-NH1 3.01Å; D886-R889 IonicContact OD1-NH2 3.52Å; D886-R889 PolarHBondContact OD1-NH2 3.3Å; D886-W890 WeakPolarHBondContact O-CB 3.06Å; D886-W890 PolarHBondContact O-N 3.14Å
887	D	88.9	Confident	91	Very high	9 Å²	9	69.8 Å²	69.8	5%	0.048	36%	0.359	C	S	.	.	H	α-helix	trans	-65.1	-44.5	-170.4	-59.2	-26.2	0	0	0	111.4	W866 R870 R879 E884 S885 Q891 Y901	W866-D887 HydrophobicContact CZ2-CB 4.43Å; W866-D887 VanDerWaalsContact CZ2-OD1 3.29Å; W866-D887 WeakPolarHBondContact CZ2-OD1 3.25Å; W866-D887 PolarHBondContact NE1-OD1 3.08Å; R870-D887 IonicContact NE-OD1 2.59Å; R879-D887 IonicContact CZ-OD1 3.7Å; R879-D887 IonicContact CZ-OD2 3.47Å; R879-D887 IonicContact NH1-OD1 2.83Å; R879-D887 IonicContact NH1-OD2 3.71Å; R879-D887 PolarHBondContact NH1-OD2 3.21Å; R879-D887 VanDerWaalsContact NH2-CG 3.26Å; R879-D887 IonicContact NH2-OD1 2.66Å; R879-D887 PolarHBondContact NH2-OD1 2.91Å; R879-D887 IonicContact NH2-OD2 2.7Å; R879-D887 PolarHBondContact NH2-OD2 2.8Å; E884-D887 WeakPolarHBondContact O-CB 3.48Å; E884-D887 PolarHBondContact O-N 3.21Å; E884-D887 VanDerWaalsContact O-N 3.15Å; S885-D887 VanDerWaalsContact C-N 3.31Å; D887-Q891 VanDerWaalsContact O-CB 3.29Å; D887-Q891 WeakPolarHBondContact O-CB 3.3Å; D887-Q891 PolarHBondContact O-N 3.3Å; D887-Y901 PolarHBondContact O-OH 2.8Å; D887-Y901 VanDerWaalsContact O-OH 3.07Å
888	S	86.7	Confident	91	Very high	69 Å²	69	75.7 Å²	75.7	48%	0.483	36%	0.363	S	S	.	.	H	α-helix	trans	-66	-43.5	174.6	-66.6	0	0	0	0	112.1	D886 W890 Q891 M892	D886-S888 PolarHBondContact O-N 2.86Å; S888-W890 VanDerWaalsContact C-N 3.33Å; S888-W890 PolarHBondContact O-N 3.21Å; S888-Q891 PolarHBondContact O-N 3.17Å; S888-M892 WeakPolarHBondContact O-CG 3.46Å; S888-M892 PolarHBondContact O-N 3.06Å
889	R	89.8	Confident	91.1	Very high	101 Å²	101	74.6 Å²	74.6	38%	0.381	36%	0.36	S	S	.	.	H	α-helix	trans	-59.7	-44.6	178	-174.5	-177.3	70.2	-126.4	-11.5	111	D886 Y893	D886-R889 PolarHBondContact O-N 2.96Å; D886-R889 IonicContact OD1-CZ 3.46Å; D886-R889 IonicContact OD1-NH1 2.69Å; D886-R889 PolarHBondContact OD1-NH1 3.01Å; D886-R889 IonicContact OD1-NH2 3.52Å; D886-R889 PolarHBondContact OD1-NH2 3.3Å; R889-Y893 WeakPolarHBondContact O-CB 3.4Å; R889-Y893 PolarHBondContact O-N 3.06Å
890	W	92.9	Very high	90.9	Very high	18 Å²	18	77 Å²	77	7%	0.068	39%	0.385	C	S	.	.	H	α-helix	trans	-78.1	-28.3	-179.2	-70.3	128.2	0	0	0	113.5	Y863 W866 D886 S888 Y893 A894	Y863-W890 HydrophobicContact CD2-CB 3.87Å; Y863-W890 AromaticContact CD2-CD2 3.91Å; Y863-W890 HydrophobicContact CD2-CD2 3.91Å; Y863-W890 AromaticContact CD2-CE3 3.62Å; Y863-W890 HydrophobicContact CD2-CE3 3.62Å; Y863-W890 HydrophobicContact CD2-CG 4.05Å; Y863-W890 HydrophobicContact CD2-CZ3 4.46Å; Y863-W890 HydrophobicContact CE2-CB 3.92Å; Y863-W890 HydrophobicContact CG-CE3 4.16Å; W866-W890 HydrophobicContact CB-CG 4.41Å; W866-W890 AromaticContact CD1-CD1 3.34Å; W866-W890 AromaticContact CD1-NE1 3.52Å; W866-W890 HydrophobicContact CD2-CB 3.95Å; W866-W890 AromaticContact CD2-CD1 3.3Å; W866-W890 AromaticContact CD2-CG 3.74Å; W866-W890 HydrophobicContact CD2-CG 3.74Å; W866-W890 AromaticContact CD2-NE1 3.95Å; W866-W890 AromaticContact CE2-CD1 3.56Å; W866-W890 HydrophobicContact CE3-CB 3.81Å; W866-W890 AromaticContact CE3-CD1 3.97Å; W866-W890 AromaticContact CE3-CG 3.94Å; W866-W890 HydrophobicContact CE3-CG 3.94Å; W866-W890 AromaticContact CG-CD1 3.18Å; W866-W890 AromaticContact CG-CG 3.96Å; W866-W890 HydrophobicContact CG-CG 3.96Å; W866-W890 AromaticContact CG-NE1 3.32Å; W866-W890 VanDerWaalsContact CG-NE1 3.32Å; W866-W890 HydrophobicContact CH2-CB 4.15Å; W866-W890 HydrophobicContact CZ2-CB 4.25Å; W866-W890 HydrophobicContact CZ3-CB 3.91Å; W866-W890 AromaticContact NE1-CD1 3.53Å; D886-W890 WeakPolarHBondContact O-CB 3.06Å; D886-W890 PolarHBondContact O-N 3.14Å; S888-W890 VanDerWaalsContact C-N 3.33Å; S888-W890 PolarHBondContact O-N 3.21Å; W890-Y893 AromaticContact CE3-CD1 3.97Å; W890-Y893 HydrophobicContact CE3-CD1 3.97Å; W890-Y893 HydrophobicContact CE3-CD2 4.36Å; W890-Y893 AromaticContact CE3-CG 3.8Å; W890-Y893 HydrophobicContact CE3-CG 3.8Å; W890-Y893 HydrophobicContact CZ3-CD1 4.08Å; W890-Y893 HydrophobicContact CZ3-CD2 4.03Å; W890-Y893 HydrophobicContact CZ3-CE1 4.41Å; W890-Y893 HydrophobicContact CZ3-CE2 4.36Å; W890-Y893 AromaticContact CZ3-CG 3.89Å; W890-Y893 HydrophobicContact CZ3-CG 3.89Å; W890-Y893 PolarHBondContact O-N 2.9Å; W890-A894 WeakPolarHBondContact O-CB 3.48Å; W890-A894 PolarHBondContact O-N 3.25Å
891	Q	90.5	Very high	90.6	Very high	72 Å²	72	77.8 Å²	77.8	34%	0.336	39%	0.388	S	S	.	.	H	α-helix	trans	-62.8	-50.5	169.8	-166.5	-177.7	33.9	0	0	110.9	D887 S888 Y893 A894 T895 Y901	D887-Q891 VanDerWaalsContact O-CB 3.29Å; D887-Q891 WeakPolarHBondContact O-CB 3.3Å; D887-Q891 PolarHBondContact O-N 3.3Å; S888-Q891 PolarHBondContact O-N 3.17Å; Q891-Y893 VanDerWaalsContact C-N 3.29Å; Q891-Y893 PolarHBondContact O-N 3.29Å; Q891-A894 PolarHBondContact O-N 2.82Å; Q891-A894 VanDerWaalsContact O-N 3.17Å; Q891-T895 PolarHBondContact O-N 3.3Å; Q891-T895 PolarHBondContact O-OG1 3.4Å; Q891-T895 VanDerWaalsContact O-OG1 3.14Å; Q891-Y901 HydrophobicContact CB-CD2 4.09Å; Q891-Y901 HydrophobicContact CB-CE1 4.44Å; Q891-Y901 HydrophobicContact CB-CE2 3.58Å; Q891-Y901 HydrophobicContact CG-CD1 4.38Å; Q891-Y901 HydrophobicContact CG-CD2 4.27Å; Q891-Y901 HydrophobicContact CG-CE1 4.24Å; Q891-Y901 HydrophobicContact CG-CE2 4.1Å; Q891-Y901 HydrophobicContact CG-CG 4.38Å
892	M	89.8	Confident	90.2	Very high	145 Å²	145	78.8 Å²	78.8	71%	0.714	40%	0.396	S	S	*	.	H	α-helix	trans	-59.4	-39.7	175.1	-68.4	-178.1	74.9	0	0	112.2	S888 K896	S888-M892 WeakPolarHBondContact O-CG 3.46Å; S888-M892 PolarHBondContact O-N 3.06Å; M892-K896 VanDerWaalsContact O-CB 3.27Å; M892-K896 WeakPolarHBondContact O-CB 3.27Å; M892-K896 PolarHBondContact O-N 3.19Å
893	Y	91.9	Very high	89.3	Confident	94 Å²	94	82.1 Å²	82.1	37%	0.369	43%	0.425	S	S	.	.	H	α-helix	trans	-62.4	-46	174.8	-177.5	-86.8	0	0	0	111.9	Y863 R889 W890 Q891 K896 H897 L899	Y863-Y893 HydrophobicContact CD1-CE1 4.48Å; Y863-Y893 HydrophobicContact CD2-CD1 4.17Å; Y863-Y893 AromaticContact CG-CD1 3.96Å; Y863-Y893 HydrophobicContact CG-CD1 3.96Å; Y863-Y893 HydrophobicContact CG-CE1 4.1Å; R889-Y893 WeakPolarHBondContact O-CB 3.4Å; R889-Y893 PolarHBondContact O-N 3.06Å; W890-Y893 AromaticContact CE3-CD1 3.97Å; W890-Y893 HydrophobicContact CE3-CD1 3.97Å; W890-Y893 HydrophobicContact CE3-CD2 4.36Å; W890-Y893 AromaticContact CE3-CG 3.8Å; W890-Y893 HydrophobicContact CE3-CG 3.8Å; W890-Y893 HydrophobicContact CZ3-CD1 4.08Å; W890-Y893 HydrophobicContact CZ3-CD2 4.03Å; W890-Y893 HydrophobicContact CZ3-CE1 4.41Å; W890-Y893 HydrophobicContact CZ3-CE2 4.36Å; W890-Y893 AromaticContact CZ3-CG 3.89Å; W890-Y893 HydrophobicContact CZ3-CG 3.89Å; W890-Y893 PolarHBondContact O-N 2.9Å; Q891-Y893 VanDerWaalsContact C-N 3.29Å; Q891-Y893 PolarHBondContact O-N 3.29Å; Y893-K896 PolarHBondContact O-N 3.15Å; Y893-H897 AromaticContact CD1-ND1 3.75Å; Y893-H897 AromaticContact CD2-CE1 3.46Å; Y893-H897 VanDerWaalsContact CD2-CE1 3.46Å; Y893-H897 WeakPolarHBondContact CD2-CE1 3.06Å; Y893-H897 AromaticContact CD2-ND1 3.57Å; Y893-H897 AromaticContact CE1-ND1 3.68Å; Y893-H897 AromaticContact CE2-CE1 3.26Å; Y893-H897 WeakPolarHBondContact CE2-CE1 3.03Å; Y893-H897 AromaticContact CE2-ND1 3.51Å; Y893-H897 AromaticContact CG-ND1 3.68Å; Y893-H897 AromaticContact CZ-CE1 3.69Å; Y893-H897 AromaticContact CZ-ND1 3.55Å; Y893-H897 PolarHBondContact O-N 2.8Å; Y893-H897 PolarHBondContact O-ND1 3.11Å; Y893-L899 HydrophobicContact CD1-CD1 4.3Å; Y893-L899 HydrophobicContact CE1-CD1 3.83Å
894	A	92.7	Very high	88.8	Confident	1 Å²	1	81.9 Å²	81.9	1%	0.008	43%	0.428	C	S	.	.	H	α-helix	trans	-62.7	-47.7	179.6	0	0	0	0	0	111.5	Y863 W890 Q891 K896 H897 K898 L899 Y901	Y863-A894 HydrophobicContact CE1-CB 4.44Å; Y863-A894 HydrophobicContact CE2-CB 4.13Å; Y863-A894 WeakPolarHBondContact OH-CB 3.2Å; W890-A894 WeakPolarHBondContact O-CB 3.48Å; W890-A894 PolarHBondContact O-N 3.25Å; Q891-A894 PolarHBondContact O-N 2.82Å; Q891-A894 VanDerWaalsContact O-N 3.17Å; A894-K896 PolarHBondContact O-N 3.47Å; A894-H897 CarbonylContact O-C 3.49Å; A894-H897 PolarHBondContact O-N 3.34Å; A894-K898 WeakPolarHBondContact O-CA 3.47Å; A894-K898 PolarHBondContact O-N 2.96Å; A894-L899 HydrophobicContact CB-CB 4.28Å; A894-L899 PolarHBondContact O-N 3.43Å; A894-Y901 HydrophobicContact CB-CD2 4.07Å
895	T	92.6	Very high	88.3	Confident	109 Å²	109	77.6 Å²	77.6	67%	0.669	41%	0.407	S	S	*	.	H	α-helix	trans	-58.3	-46.4	175.2	-53.8	0	0	0	0	111.7	Q891 H897 K898	Q891-T895 PolarHBondContact O-N 3.3Å; Q891-T895 PolarHBondContact O-OG1 3.4Å; Q891-T895 VanDerWaalsContact O-OG1 3.14Å; T895-H897 VanDerWaalsContact C-N 3.31Å; T895-H897 PolarHBondContact O-N 3.1Å; T895-K898 PolarHBondContact O-N 2.87Å
896	K	95.2	Very high	87.3	Confident	170 Å²	170	77.7 Å²	77.7	74%	0.739	40%	0.404	S	S	*	.	H	α-helix	trans	-61.4	-36.4	179.9	-179.2	175.9	176.4	180	0	113.1	M892 Y893 A894	M892-K896 VanDerWaalsContact O-CB 3.27Å; M892-K896 WeakPolarHBondContact O-CB 3.27Å; M892-K896 PolarHBondContact O-N 3.19Å; Y893-K896 PolarHBondContact O-N 3.15Å; A894-K896 PolarHBondContact O-N 3.47Å
897	H	92.8	Very high	85.9	Confident	84 Å²	84	80.6 Å²	80.6	39%	0.389	42%	0.424	S	S	.	.	H	α-helix	trans	-100.8	7.4	-177.5	-57.9	97.3	0	0	0	113.8	Y893 A894 T895 L899	Y893-H897 AromaticContact CD1-ND1 3.75Å; Y893-H897 AromaticContact CD2-CE1 3.46Å; Y893-H897 VanDerWaalsContact CD2-CE1 3.46Å; Y893-H897 WeakPolarHBondContact CD2-CE1 3.06Å; Y893-H897 AromaticContact CD2-ND1 3.57Å; Y893-H897 AromaticContact CE1-ND1 3.68Å; Y893-H897 AromaticContact CE2-CE1 3.26Å; Y893-H897 WeakPolarHBondContact CE2-CE1 3.03Å; Y893-H897 AromaticContact CE2-ND1 3.51Å; Y893-H897 AromaticContact CG-ND1 3.68Å; Y893-H897 AromaticContact CZ-CE1 3.69Å; Y893-H897 AromaticContact CZ-ND1 3.55Å; Y893-H897 PolarHBondContact O-N 2.8Å; Y893-H897 PolarHBondContact O-ND1 3.11Å; A894-H897 CarbonylContact O-C 3.49Å; A894-H897 PolarHBondContact O-N 3.34Å; T895-H897 VanDerWaalsContact C-N 3.31Å; T895-H897 PolarHBondContact O-N 3.1Å; H897-L899 VanDerWaalsContact C-N 3.26Å; H897-L899 HydrophobicContact CB-CD1 4.12Å; H897-L899 HydrophobicContact CB-CG 3.97Å; H897-L899 PolarHBondContact O-N 3.48Å
898	K	93.4	Very high	84.1	Confident	197 Å²	197	87.9 Å²	87.9	86%	0.857	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.8	36	-177.6	-55	-179.7	179.8	-180	0	113.7	A894 T895	A894-K898 WeakPolarHBondContact O-CA 3.47Å; A894-K898 PolarHBondContact O-N 2.96Å; T895-K898 PolarHBondContact O-N 2.87Å
899	L	92.2	Very high	82	Confident	80 Å²	80	89.7 Å²	89.7	42%	0.419	47%	0.473	S	S	.	.			trans	-89.8	153.8	176.3	-56.2	176.5	0	0	0	110.6	Y863 Y893 A894 H897	Y863-L899 HydrophobicContact CD1-CD1 3.65Å; Y863-L899 HydrophobicContact CE1-CB 4.02Å; Y863-L899 HydrophobicContact CE1-CD1 3.88Å; Y893-L899 HydrophobicContact CD1-CD1 4.3Å; Y893-L899 HydrophobicContact CE1-CD1 3.83Å; A894-L899 HydrophobicContact CB-CB 4.28Å; A894-L899 PolarHBondContact O-N 3.43Å; H897-L899 VanDerWaalsContact C-N 3.26Å; H897-L899 HydrophobicContact CB-CD1 4.12Å; H897-L899 HydrophobicContact CB-CG 3.97Å; H897-L899 PolarHBondContact O-N 3.48Å
900	S	88.9	Confident	79.9	Confident	105 Å²	105	90.8 Å²	90.8	73%	0.734	49%	0.493	S	S	*	.			trans	-67.3	138.2	171.3	-172.3	0	0	0	0	110.7	Y863	Y863-S900 PolarHBondContact OH-O 2.74Å
901	Y	86.5	Confident	77.5	Confident	37 Å²	37	94.6 Å²	94.6	15%	0.145	53%	0.528	C	S	.	.			trans	-121.8	121.8	173.6	-172.4	-87	0	0	0	108.6	Y863 W866 D887 Q891 A894 A903 V906	Y863-Y901 HydrophobicContact CE2-CD2 4.41Å; W866-Y901 HydrophobicContact CH2-CD2 4.2Å; W866-Y901 AromaticContact CH2-CE2 3.4Å; W866-Y901 HydrophobicContact CH2-CE2 3.4Å; W866-Y901 VanDerWaalsContact CH2-CE2 3.4Å; W866-Y901 AromaticContact CH2-CZ 3.78Å; W866-Y901 HydrophobicContact CZ2-CE2 4.37Å; W866-Y901 HydrophobicContact CZ3-CD2 4.3Å; W866-Y901 AromaticContact CZ3-CE2 3.88Å; W866-Y901 HydrophobicContact CZ3-CE2 3.88Å; D887-Y901 PolarHBondContact O-OH 2.8Å; D887-Y901 VanDerWaalsContact O-OH 3.07Å; Q891-Y901 HydrophobicContact CB-CD2 4.09Å; Q891-Y901 HydrophobicContact CB-CE1 4.44Å; Q891-Y901 HydrophobicContact CB-CE2 3.58Å; Q891-Y901 HydrophobicContact CG-CD1 4.38Å; Q891-Y901 HydrophobicContact CG-CD2 4.27Å; Q891-Y901 HydrophobicContact CG-CE1 4.24Å; Q891-Y901 HydrophobicContact CG-CE2 4.1Å; Q891-Y901 HydrophobicContact CG-CG 4.38Å; A894-Y901 HydrophobicContact CB-CD2 4.07Å; Y901-A903 PolarHBondContact O-N 3.4Å; Y901-V906 HydrophobicContact CD1-CG2 4.1Å; Y901-V906 HydrophobicContact CE1-CG2 3.83Å
902	P	86.3	Confident	75.1	Confident	35 Å²	35	96.6 Å²	96.6	23%	0.227	55%	0.55	C	S	.	*			trans	-63.1	126.2	-176.6	-25.6	36.5	0	0	0	112.5	L867 N904 Y905	L867-P902 HydrophobicContact CD2-CG 3.77Å; P902-N904 VanDerWaalsContact CB-OD1 3.29Å; P902-N904 WeakPolarHBondContact CB-OD1 3.37Å; P902-N904 PolarHBondContact O-N 2.98Å; P902-Y905 HydrophobicContact CB-CD2 3.74Å; P902-Y905 HydrophobicContact CB-CE2 3.87Å; P902-Y905 HydrophobicContact CB-CG 4.13Å; P902-Y905 HydrophobicContact CG-CD2 3.72Å; P902-Y905 HydrophobicContact CG-CE2 3.61Å; P902-Y905 PolarHBondContact O-N 3.23Å
903	A	75.4	Confident	72.7	Confident	85 Å²	85	93.7 Å²	93.7	70%	0.702	55%	0.549	S	S	*	.	G	3₁₀ helix	trans	-61.1	-28.4	-176.6	0	0	0	0	0	113.1	Y901 Y905 V906	Y901-A903 PolarHBondContact O-N 3.4Å; A903-Y905 PolarHBondContact O-N 2.83Å; A903-V906 WeakPolarHBondContact O-CB 3.26Å; A903-V906 PolarHBondContact O-N 3.2Å
904	N	77.6	Confident	70.2	Confident	108 Å²	108	94.3 Å²	94.3	58%	0.578	57%	0.567	S	S	*	*	G	3₁₀ helix	trans	-75.4	-1.8	175.8	64.4	-66.9	0	0	0	114.4	P902	P902-N904 VanDerWaalsContact CB-OD1 3.29Å; P902-N904 WeakPolarHBondContact CB-OD1 3.37Å; P902-N904 PolarHBondContact O-N 2.98Å
905	Y	76.4	Confident	68	Low	18 Å²	18	101.7 Å²	101.7	7%	0.071	61%	0.606	C	S	.	*	G	3₁₀ helix	trans	-102	-4.2	169.9	-58	-19.8	0	0	0	112.7	W866 L867 R870 E871 T874 P902 A903 P907	W866-Y905 AromaticContact CH2-CD2 3.76Å; W866-Y905 HydrophobicContact CH2-CD2 3.76Å; W866-Y905 HydrophobicContact CH2-CG 4.5Å; W866-Y905 HydrophobicContact CZ2-CD2 4.35Å; W866-Y905 HydrophobicContact CZ3-CD2 4.27Å; L867-Y905 HydrophobicContact CD2-CD2 4.39Å; L867-Y905 HydrophobicContact CD2-CE2 4Å; R870-Y905 HydrophobicContact CB-CD1 4.43Å; R870-Y905 HydrophobicContact CB-CD2 4.09Å; R870-Y905 HydrophobicContact CB-CE1 3.91Å; R870-Y905 HydrophobicContact CB-CE2 3.5Å; R870-Y905 VanDerWaalsContact CB-CE2 3.5Å; R870-Y905 VanDerWaalsContact CB-CZ 3.42Å; R870-Y905 HydrophobicContact CG-CD2 4.4Å; R870-Y905 HydrophobicContact CG-CE2 4.24Å; E871-Y905 VanDerWaalsContact CA-OH 3.29Å; E871-Y905 WeakPolarHBondContact CA-OH 3.3Å; E871-Y905 PolarHBondContact N-OH 2.81Å; E871-Y905 VanDerWaalsContact N-OH 3.09Å; T874-Y905 WeakPolarHBondContact OG1-CE1 3.42Å; P902-Y905 HydrophobicContact CB-CD2 3.74Å; P902-Y905 HydrophobicContact CB-CE2 3.87Å; P902-Y905 HydrophobicContact CB-CG 4.13Å; P902-Y905 HydrophobicContact CG-CD2 3.72Å; P902-Y905 HydrophobicContact CG-CE2 3.61Å; P902-Y905 PolarHBondContact O-N 3.23Å; A903-Y905 PolarHBondContact O-N 2.83Å; Y905-P907 WeakPolarHBondContact O-CD 3.36Å
906	V	65.3	Low	65.7	Low	69 Å²	69	103.9 Å²	103.9	42%	0.418	61%	0.614	S	S	.	*	S	Bend	trans	-72.7	125.7	172	-176.6	0	0	0	0	108.2	Y901 A903 L908	Y901-V906 HydrophobicContact CD1-CG2 4.1Å; Y901-V906 HydrophobicContact CE1-CG2 3.83Å; A903-V906 WeakPolarHBondContact O-CB 3.26Å; A903-V906 PolarHBondContact O-N 3.2Å; V906-L908 PolarHBondContact O-N 2.93Å
907	P	58.5	Low	63	Low	86 Å²	86	103.2 Å²	103.2	56%	0.558	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-56	137.4	172.2	-24.6	34.6	0	0	0	110.6	Y905	Y905-P907 WeakPolarHBondContact O-CD 3.36Å
908	L	50.2	Low	60.4	Low	163 Å²	163	106.5 Å²	106.5	85%	0.853	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-54.3	138.9	167.6	-81.2	163	0	0	0	108.6	V906	V906-L908 PolarHBondContact O-N 2.93Å
909	P	43.8	Very low	57.9	Low	106 Å²	106	100.6 Å²	100.6	69%	0.688	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-51.9	140.1	170.3	-23.6	33.3	0	0	0	109.2	A911	P909-A911 PolarHBondContact O-N 2.97Å; P909-A911 VanDerWaalsContact O-N 3.16Å
910	P	44.7	Very low	55.7	Low	125 Å²	125	101.4 Å²	101.4	81%	0.812	65%	0.652	S	S	*	*	P	Polyproline II helix	trans	-53.2	129.2	172.2	24.3	-33.1	0	0	0	107.8	S912	P910-S912 PolarHBondContact O-N 2.83Å
911	A	42.7	Very low	53.4	Low	97 Å²	97	105.4 Å²	105.4	80%	0.802	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-52.3	131.4	177.4	0	0	0	0	0	107.9	P909 A913	P909-A911 PolarHBondContact O-N 2.97Å; P909-A911 VanDerWaalsContact O-N 3.16Å; A911-A913 PolarHBondContact O-N 3.28Å
912	S	39.5	Very low	51.3	Low	115 Å²	115	107.7 Å²	107.7	80%	0.804	67%	0.674	S	S	*	*			trans	-53.6	113.4	-179.9	51	0	0	0	0	108.2	P910 S914	P910-S912 PolarHBondContact O-N 2.83Å; S912-S914 PolarHBondContact O-N 3.34Å
913	A	40.8	Very low	48.9	Very low	83 Å²	83	110.1 Å²	110.1	69%	0.686	69%	0.692	S	S	*	*			trans	-56.2	118.8	-179.9	0	0	0	0	0	108.1	A911 D915	A911-A913 PolarHBondContact O-N 3.28Å; A913-D915 PolarHBondContact O-N 3.42Å
914	S	39.3	Very low	47.2	Very low	107 Å²	107	112.1 Å²	112.1	75%	0.748	69%	0.691	S	S	*	*			trans	-64	113.5	152.4	46.9	0	0	0	0	105.6	S912 D916	S912-S914 PolarHBondContact O-N 3.34Å; S914-D916 VanDerWaalsContact C-N 3.29Å; S914-D916 PolarHBondContact O-N 3.11Å
915	D	45.8	Very low	45.3	Very low	156 Å²	156	113.3 Å²	113.3	83%	0.834	69%	0.694	S	S	*	*			trans	-61.4	93.4	169.5	-68.1	-54	0	0	0	108.4	A913	A913-D915 PolarHBondContact O-N 3.42Å
916	D	43.6	Very low	43.4	Very low	156 Å²	156	118.7 Å²	118.7	83%	0.834	72%	0.718	S	S	*	*			trans	-159	120.5	159.1	-99.1	-32.8	0	0	0	111.1	S914	S914-D916 VanDerWaalsContact C-N 3.29Å; S914-D916 PolarHBondContact O-N 3.11Å
917	D	39.5	Very low	41.9	Very low	155 Å²	155	117.8 Å²	117.8	83%	0.829	72%	0.723	S	S	*	*			trans	74.3	136.2	155.2	-133.6	11.5	0	0	0	124.1
918	D	37.5	Very low	40.8	Very low	154 Å²	154	119.6 Å²	119.6	82%	0.824	73%	0.727	S	S	*	*			trans	48.5	127.9	164.2	-119.7	-10.3	0	0	0	122.9
919	G	40.5	Very low	40.2	Very low	73 Å²	73	116.1 Å²	116.1	75%	0.753	71%	0.713	S	S	*	*			trans	-158.3	113	176	0	0	0	0	0	113.8
920	A	46.1	Very low	39.8	Very low	96 Å²	96	118.9 Å²	118.9	79%	0.793	72%	0.716	S	S	*	*			trans	-159.1	49.7	176	0	0	0	0	0	115.2
921	E	40.6	Very low	39.3	Very low	190 Å²	190	122.7 Å²	122.7	89%	0.888	72%	0.715	S	S	*	*	S	Bend	trans	-151	-2	170.6	-124.1	167.9	-137.7	0	0	117.5
922	D	42.5	Very low	39.1	Very low	84 Å²	84	123.3 Å²	123.3	45%	0.449	71%	0.708	S	S	.	*			trans	-104.2	27.3	-169.1	-168.8	42.7	0	0	0	115.6	K926	D922-K926 WeakPolarHBondContact OD2-CE 3.48Å; D922-K926 IonicContact OD2-NZ 2.81Å; D922-K926 PolarHBondContact OD2-NZ 3.13Å
923	S	37	Very low	38.9	Very low	87 Å²	87	122.8 Å²	122.8	61%	0.608	70%	0.704	S	S	*	*	S	Bend	trans	-81	-43.3	173	53.5	0	0	0	0	112.7	K926	S923-K926 PolarHBondContact O-N 3.27Å
924	D	38.6	Very low	38.8	Very low	126 Å²	126	125.9 Å²	125.9	67%	0.674	71%	0.708	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-23.9	-160.8	-72.3	19.5	0	0	0	112.8
925	M	38	Very low	38.3	Very low	133 Å²	133	131.5 Å²	131.5	66%	0.655	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-27.5	175.1	-167.1	162.6	62.7	0	0	112.8	L928 T929	M925-L928 PolarHBondContact O-N 2.84Å; M925-T929 PolarHBondContact O-OG1 2.91Å; M925-T929 VanDerWaalsContact O-OG1 3.1Å
926	K	36.8	Very low	37.9	Very low	131 Å²	131	130.3 Å²	130.3	57%	0.57	72%	0.723	S	S	*	*	H	α-helix	trans	-73	-34	175	-76.7	166.8	177.4	143.1	0	112.5	D922 S923 L928 T929	D922-K926 WeakPolarHBondContact OD2-CE 3.48Å; D922-K926 IonicContact OD2-NZ 2.81Å; D922-K926 PolarHBondContact OD2-NZ 3.13Å; S923-K926 PolarHBondContact O-N 3.27Å; K926-L928 PolarHBondContact O-N 3.15Å; K926-T929 WeakPolarHBondContact CA-OG1 3.36Å; K926-T929 PolarHBondContact O-N 2.8Å; K926-T929 PolarHBondContact O-OG1 3.26Å
927	G	33.7	Very low	37.6	Very low	50 Å²	50	128.9 Å²	128.9	52%	0.515	72%	0.718	S	S	.	*	H	α-helix	trans	-66.1	-16.8	175	0	0	0	0	0	115
928	L	35.9	Very low	37.5	Very low	125 Å²	125	127.5 Å²	127.5	65%	0.654	71%	0.711	S	S	*	*	H	α-helix	trans	-93.6	-31.7	177.5	-73.9	169.1	0	0	0	113.4	M925 K926 R931	M925-L928 PolarHBondContact O-N 2.84Å; K926-L928 PolarHBondContact O-N 3.15Å; L928-R931 PolarHBondContact O-N 2.84Å
929	T	37.6	Very low	37.5	Very low	90 Å²	90	125.9 Å²	125.9	55%	0.552	71%	0.705	S	S	*	*	H	α-helix	trans	-67.9	-40.7	-176.1	13	0	0	0	0	112.2	M925 K926 R931 V932	M925-T929 PolarHBondContact O-OG1 2.91Å; M925-T929 VanDerWaalsContact O-OG1 3.1Å; K926-T929 WeakPolarHBondContact CA-OG1 3.36Å; K926-T929 PolarHBondContact O-N 2.8Å; K926-T929 PolarHBondContact O-OG1 3.26Å; T929-R931 PolarHBondContact O-N 3.14Å; T929-V932 PolarHBondContact O-N 3.02Å
930	E	34.5	Very low	37.3	Very low	163 Å²	163	129.3 Å²	129.3	76%	0.762	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	-19.8	-178.2	-158.6	170.4	-134.6	0	0	113.5
931	R	34.5	Very low	36.8	Very low	206 Å²	206	131.5 Å²	131.5	78%	0.777	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-9.5	176.4	-80.4	-177.8	168.6	164.7	-0.2	114.9	L928 T929	L928-R931 PolarHBondContact O-N 2.84Å; T929-R931 PolarHBondContact O-N 3.14Å
932	V	39.8	Very low	36.5	Very low	110 Å²	110	127.3 Å²	127.3	67%	0.667	68%	0.682	S	S	*	*	S	Bend	trans	-92	-7.1	179.5	-179.1	0	0	0	0	112	T929	T929-V932 PolarHBondContact O-N 3.02Å
933	S	34.7	Very low	36	Very low	103 Å²	103	130.6 Å²	130.6	72%	0.72	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	5.2	-179.4	-55.6	0	0	0	0	115.6
934	I	37.4	Very low	35.9	Very low	149 Å²	149	134.3 Å²	134.3	76%	0.764	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-137.4	26.3	-177.2	-31	-178.7	0	0	0	113
935	L	29.7	Very low	35.7	Very low	225 Å²	225	135 Å²	135	100%	1.178	71%	0.71	S	S	*	*			trans	-142.9	0	172.3	-75.9	180	0	0	0	111.7

Retrieved 935 of 935 residues in 916.5 ms (Link to these results)

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