A0A087YAH1_POEFO Loading...

Oxysterol-binding protein

AlphaFold DB , UniProt , Accession A0A087YAH1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 921 aa.

						>A0A087YAH1_POEFO|A0A087YAH1
MSLHHQYQRGPHGRTMSTEERSSTPVNKTSVPVQKSASSSSSSQRDSRQEADSWEIIEGLKIGQSNVQRPDKHEGFMLKKRKWPLKGWHKRFFVLDNGILKYSKTPIDIQRGKLHGSIDVGLSVMSIKKRARRIDLDTEEHIYHLKVKSQDIFDAWVSKLRHHRLYRQNEIVRSPREPTMRTFPPPAAMETPQPSPIVVNETKQAKSSSLPWQPAAPSSSSNSSLQASYSNGQSRVAAWLQESEEMDKCAEELARCQSNLTELSRLLQSLEILQRTQSAPNFTDMQANCVELSKKEKRLNRRWRTKSVGKDAKFQLQVPLSASMSPVRLHSSNPNLCAELGDYQPPVSRLSDSVEYASDYFKLQEEFCTIAQKVHSLLKSAFNTVAIEKEKIKQVLSEQEQSDQSSQIISIRKSLSLALAQNAELRSRLNRIHSESILTEQVVSVNIIATPDEAVEQMGIPLTQQASNESRLSMSESVSEFFDAQEVLLSASSSENEGSDDESYVSDVSDNISEDNASVTDNVSRQMANGDFAGSAFRNGRRICLPAPCPDTSNINLWNILRNNIGKDLSKVSMPVELNEPLNTLQRMCEELEYSELLDKAAETEDPFERMVLVAAFAVSGYSSTYYRAGSKPFNPLLGETYECIREDKGFCFFSEQVSHHPPVSACHCESKNFTFWQDVRWKNKFWGKSMEILPIGSVNLTIPRFGDHYEWNKVTTCVHNILSGRRWIEHYGEITIRNTKSSACLCKLTFVKGNYWSSNVNEVQGFVMDQEGKVIHRLFGKWHEGLYCGIPPSAKCVWRPGSMPTDYELYYGFTRFAIELNELCPELKDALPRTDARFRPDQRYLEEGNVEMAGSEKQRIEDAQRARRKWNEENNIKHEPRFFKKVVDANHRERWVSNNMYWELRKNPGFINMEPTVSLW
					

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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	30.7	Very low	36	Very low	247 Å²	247	155.6 Å²	155.6	100%	1.217	79%	0.787	S	S	*	*				0	161.5	0	-75.2	178	168	0	0	108.7
2	S	31.4	Very low	36	Very low	107 Å²	107	159.4 Å²	159.4	75%	0.748	80%	0.799	S	S	*	*			trans	-129.7	146.5	-158.8	-50.1	0	0	0	0	113.6
3	L	37.4	Very low	35.3	Very low	141 Å²	141	153.1 Å²	153.1	74%	0.738	80%	0.799	S	S	*	*			trans	66.7	135.6	146.8	-67.3	163.7	0	0	0	121.9
4	H	39.2	Very low	35.1	Very low	146 Å²	146	159.6 Å²	159.6	68%	0.676	81%	0.808	S	S	*	*			trans	68.1	158.2	142	-69.9	-20.2	0	0	0	119.1
5	H	42.2	Very low	34.8	Very low	129 Å²	129	157.6 Å²	157.6	60%	0.597	81%	0.807	S	S	*	*			cis	-160.7	159.1	-5.8	-121.7	-39.7	0	0	0	109.2
6	Q	29.3	Very low	34.6	Very low	190 Å²	190	158.9 Å²	158.9	89%	0.888	81%	0.811	S	S	*	*				177.7	-174.4	129.5	-95.4	176.2	19.4	0	0	113.4
7	Y	35.7	Very low	34.2	Very low	189 Å²	189	154.9 Å²	154.9	74%	0.741	80%	0.801	S	S	*	*				-157.5	174.6	-122.6	-128.4	-86.1	0	0	0	116.5
8	Q	32.3	Very low	34.1	Very low	138 Å²	138	152.8 Å²	152.8	65%	0.645	80%	0.796	S	S	*	*			trans	97.8	118	160.6	-50.1	-160.8	24.8	0	0	118.2
9	R	33.4	Very low	33.9	Very low	224 Å²	224	153.3 Å²	153.3	85%	0.845	80%	0.795	S	S	*	*				84.8	158	91.5	-70.7	171.7	176	153.3	-9.5	113.9
10	G	26.9	Very low	33.9	Very low	68 Å²	68	151.4 Å²	151.4	70%	0.701	78%	0.782	S	S	*	*			cis	152.8	172.6	-0.7	0	0	0	0	0	109.9
11	P	57.5	Low	33.7	Very low	133 Å²	133	154 Å²	154	86%	0.864	78%	0.781	S	S	*	*			cis	-131.6	-141.9	-4	43.5	-22.9	0	0	0	114.3
12	H	35.7	Very low	33.7	Very low	201 Å²	201	146.7 Å²	146.7	93%	0.931	76%	0.755	S	S	*	*			trans	-112.7	166.1	-168.2	-68.2	-54.9	0	0	0	117.3
13	G	27	Very low	33.5	Very low	77 Å²	77	146.9 Å²	146.9	79%	0.794	76%	0.756	S	S	*	*			trans	-159	156.6	163.5	0	0	0	0	0	112.8
14	R	32	Very low	32.9	Very low	244 Å²	244	146.1 Å²	146.1	92%	0.921	76%	0.758	S	S	*	*			trans	-168.6	126.6	-166.1	-179.4	-164.7	-163.7	-168.2	7.9	115.6
15	T	32	Very low	33.5	Very low	130 Å²	130	144.4 Å²	144.4	80%	0.798	76%	0.759	S	S	*	*			trans	-174.8	134.6	156.3	31.7	0	0	0	0	116.2
16	M	30.3	Very low	32.9	Very low	178 Å²	178	143.5 Å²	143.5	88%	0.877	76%	0.763	S	S	*	*			trans	58.3	152.6	137	-62.6	-50.3	179	0	0	122.4
17	S	28.7	Very low	32.9	Very low	92 Å²	92	140.8 Å²	140.8	64%	0.643	75%	0.754	S	S	*	*			cis	-163.2	156.1	-2.5	43.3	0	0	0	0	113.3
18	T	31.8	Very low	32.5	Very low	116 Å²	116	139.7 Å²	139.7	71%	0.712	75%	0.753	S	S	*	*			trans	45.8	149.9	145.8	55.9	0	0	0	0	122
19	E	31.3	Very low	32.1	Very low	163 Å²	163	138.9 Å²	138.9	76%	0.762	76%	0.758	S	S	*	*			cis	-166.4	167.8	-4.6	-116.8	169	-92.4	0	0	109.2
20	E	32.4	Very low	31.6	Very low	115 Å²	115	132.7 Å²	132.7	54%	0.537	75%	0.749	S	S	.	*			cis	-125.2	-103.4	-12.5	-168.6	-147.3	118	0	0	108.4	S22	E20-S22 PolarHBondContact OE1-N 2.87Å
21	R	30.9	Very low	31.6	Very low	206 Å²	206	135.9 Å²	135.9	78%	0.777	75%	0.754	S	S	*	*			cis	-139.6	153.1	-24	-171.6	140.6	-87.1	-163.5	-2.8	112.2
22	S	29.7	Very low	30.5	Very low	93 Å²	93	135 Å²	135	65%	0.65	75%	0.749	S	S	*	*			trans	-57.6	160.8	176.1	61.4	0	0	0	0	115.9	E20	E20-S22 PolarHBondContact OE1-N 2.87Å
23	S	26.8	Very low	30	Very low	112 Å²	112	131.3 Å²	131.3	78%	0.783	74%	0.74	S	S	*	*			cis	-147.1	178.5	33.8	62.4	0	0	0	0	117.2
24	T	26.7	Very low	29.9	Very low	125 Å²	125	136 Å²	136	77%	0.767	74%	0.742	S	S	*	*			trans	-148.3	-155.5	-156.5	57.8	0	0	0	0	110.3
25	P	50.1	Low	29.5	Very low	110 Å²	110	133.5 Å²	133.5	71%	0.714	74%	0.737	S	S	*	*			cis	-114.1	-159.1	-39	19	3.7	0	0	0	111.7
26	V	30.5	Very low	29.1	Very low	110 Å²	110	133.3 Å²	133.3	67%	0.667	74%	0.741	S	S	*	*				-176.1	122	54.4	164.5	0	0	0	0	112.8
27	N	28.3	Very low	28.8	Very low	133 Å²	133	129.5 Å²	129.5	71%	0.711	74%	0.738	S	S	*	*			trans	54.5	162.4	140.5	-69.4	-27.6	0	0	0	123.1
28	K	27.6	Very low	28.7	Very low	165 Å²	165	129.8 Å²	129.8	72%	0.717	74%	0.74	S	S	*	*			cis	-160.2	155.7	2.8	-126.2	164	-171.2	-178.7	0	112.8
29	T	25.2	Very low	28.4	Very low	121 Å²	121	129.5 Å²	129.5	74%	0.742	74%	0.743	S	S	*	*			trans	42	135.1	151.3	51	0	0	0	0	122.1
30	S	23.2	Very low	28.3	Very low	94 Å²	94	126.7 Å²	126.7	66%	0.657	74%	0.741	S	S	*	*			cis	112.5	101.4	7.2	74.9	0	0	0	0	117.4
31	V	25.8	Very low	27.9	Very low	135 Å²	135	126.6 Å²	126.6	82%	0.818	75%	0.753	S	S	*	*			trans	43.8	164.9	148.6	-96.9	0	0	0	0	121.4
32	P	35.1	Very low	27.9	Very low	114 Å²	114	122.1 Å²	122.1	74%	0.74	75%	0.753	S	S	*	*			cis	-118	169.4	1.7	20.3	6.2	0	0	0	113.9
33	V	24.6	Very low	27.8	Very low	124 Å²	124	122.9 Å²	122.9	75%	0.752	76%	0.759	S	S	*	*				62.4	127.9	60.2	-173.8	0	0	0	0	112.7
34	Q	24.4	Very low	27.9	Very low	177 Å²	177	126.4 Å²	126.4	83%	0.827	76%	0.763	S	S	*	*			cis	-121.9	175	23.9	-67.4	-174.1	87.8	0	0	113.5
35	K	24.3	Very low	28.2	Very low	191 Å²	191	131.2 Å²	131.2	83%	0.83	77%	0.767	S	S	*	*			cis	112	74.1	-0.1	-160.4	-150.4	176.7	-170.4	0	118.7
36	S	23.8	Very low	27.2	Very low	126 Å²	126	132.6 Å²	132.6	88%	0.881	77%	0.768	S	S	*	*			trans	-150.4	165.1	158.3	62.9	0	0	0	0	113.6
37	A	24.6	Very low	27.2	Very low	97 Å²	97	132.8 Å²	132.8	80%	0.802	78%	0.775	S	S	*	*			trans	-97.9	178.1	-172	0	0	0	0	0	112.9
38	S	25.1	Very low	27.5	Very low	99 Å²	99	137 Å²	137	69%	0.692	78%	0.78	S	S	*	*			cis	-159.7	162.8	18.1	55.2	0	0	0	0	113.8
39	S	27	Very low	28	Very low	110 Å²	110	137.4 Å²	137.4	77%	0.769	79%	0.785	S	S	*	*			trans	59.1	143.7	158.6	49.9	0	0	0	0	119.6
40	S	27.7	Very low	28.5	Very low	103 Å²	103	139.7 Å²	139.7	72%	0.72	79%	0.787	S	S	*	*			cis	-169	175	-10.8	45.9	0	0	0	0	110.7
41	S	24.8	Very low	29.2	Very low	114 Å²	114	138 Å²	138	80%	0.797	78%	0.779	S	S	*	*			trans	76.7	159.7	176.9	81	0	0	0	0	117.8
42	S	29.7	Very low	30.2	Very low	112 Å²	112	136 Å²	136	78%	0.783	76%	0.763	S	S	*	*				168.7	89.1	-63.6	54.9	0	0	0	0	110.4
43	S	28.9	Very low	30.5	Very low	109 Å²	109	134 Å²	134	76%	0.762	75%	0.752	S	S	*	*			trans	-162.5	26.7	177.8	55.5	0	0	0	0	116.3
44	Q	28.5	Very low	31.3	Very low	186 Å²	186	133 Å²	133	87%	0.869	74%	0.735	S	S	*	*	S	Bend	trans	-142.2	54.8	-178.8	-69.3	-164.4	-11	0	0	114.9
45	R	32.4	Very low	32.7	Very low	226 Å²	226	127.4 Å²	127.4	85%	0.853	71%	0.709	S	S	*	*			trans	-133.7	-10.7	171.1	-78.8	-165.9	173.8	-169.4	-0.9	117.1	S47	R45-S47 VanDerWaalsContact C-N 3.29Å; R45-S47 PolarHBondContact O-N 3.07Å
46	D	30.2	Very low	33.6	Very low	139 Å²	139	124.3 Å²	124.3	74%	0.743	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-73.8	-13.1	-169.7	-52.5	-68.7	0	0	0	115.2	R48	D46-R48 PolarHBondContact O-N 3.15Å; D46-R48 VanDerWaalsContact O-N 3.12Å
47	S	30.8	Very low	35.2	Very low	114 Å²	114	119.2 Å²	119.2	80%	0.797	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-79.7	15.5	-176.1	59	0	0	0	0	115.8	R45	R45-S47 VanDerWaalsContact C-N 3.29Å; R45-S47 PolarHBondContact O-N 3.07Å
48	R	34.7	Very low	36.5	Very low	221 Å²	221	121 Å²	121	83%	0.834	66%	0.655	S	S	*	*	G	3₁₀ helix	trans	-130.6	2.8	-177.5	-67.6	-169.5	179.3	-173.7	0.8	116.3	D46	D46-R48 PolarHBondContact O-N 3.15Å; D46-R48 VanDerWaalsContact O-N 3.12Å
49	Q	36.6	Very low	37.9	Very low	174 Å²	174	117.8 Å²	117.8	81%	0.813	64%	0.637	S	S	*	*			trans	-100.5	-2.6	-172.6	-84.4	-169.7	-19.6	0	0	117.5	A51	Q49-A51 PolarHBondContact O-N 3.18Å
50	E	36.2	Very low	38.9	Very low	169 Å²	169	114.8 Å²	114.8	79%	0.79	61%	0.612	S	S	*	*			trans	-71.5	27.6	173.4	-63.3	-165	122.6	0	0	114.5	D52 R130	E50-D52 PolarHBondContact O-N 3.1Å; E50-R130 PolarHBondContact O-NE 3.38Å; E50-R130 PolarHBondContact O-NH2 3.19Å
51	A	37.6	Very low	40	Very low	58 Å²	58	115.1 Å²	115.1	48%	0.479	60%	0.601	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.1	-24.9	-152.5	0	0	0	0	0	116.1	Q49 R130	Q49-A51 PolarHBondContact O-N 3.18Å; A51-R130 WeakPolarHBondContact O-CD 3.15Å; A51-R130 PolarHBondContact O-NE 2.78Å; A51-R130 PolarHBondContact O-NH1 3.03Å
52	D	46.8	Very low	40.8	Very low	93 Å²	93	118.5 Å²	118.5	50%	0.497	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-152.4	65.4	-180	-155.7	38.9	0	0	0	113.8	E50 W54	E50-D52 PolarHBondContact O-N 3.1Å; D52-W54 VanDerWaalsContact CG-CZ2 3.45Å; D52-W54 PolarHBondContact O-N 2.99Å; D52-W54 WeakPolarHBondContact OD1-CH2 3.38Å; D52-W54 WeakPolarHBondContact OD1-CZ2 3.38Å; D52-W54 WeakPolarHBondContact OD2-CZ2 3.45Å; D52-W54 PolarHBondContact OD2-NE1 2.8Å
53	S	41.6	Very low	41.5	Very low	72 Å²	72	116.4 Å²	116.4	50%	0.503	60%	0.604	S	S	.	*			trans	-76.5	113.4	179.2	53.7	0	0	0	0	113.2
54	W	42.1	Very low	42.6	Very low	102 Å²	102	115.7 Å²	115.7	39%	0.386	59%	0.588	S	S	.	*			trans	-104.3	138.6	168.6	-51.9	128.3	0	0	0	109.9	D52 K128 A131	D52-W54 VanDerWaalsContact CG-CZ2 3.45Å; D52-W54 PolarHBondContact O-N 2.99Å; D52-W54 WeakPolarHBondContact OD1-CH2 3.38Å; D52-W54 WeakPolarHBondContact OD1-CZ2 3.38Å; D52-W54 WeakPolarHBondContact OD2-CZ2 3.45Å; D52-W54 PolarHBondContact OD2-NE1 2.8Å; W54-K128 HydrophobicContact CD2-CB 4.43Å; W54-K128 HydrophobicContact CD2-CD 3.89Å; W54-K128 HydrophobicContact CD2-CG 3.87Å; W54-K128 VanDerWaalsContact CE3-CA 3.45Å; W54-K128 HydrophobicContact CE3-CB 3.49Å; W54-K128 VanDerWaalsContact CE3-CB 3.49Å; W54-K128 HydrophobicContact CE3-CD 3.78Å; W54-K128 HydrophobicContact CE3-CG 3.39Å; W54-K128 HydrophobicContact CH2-CB 4.12Å; W54-K128 HydrophobicContact CH2-CD 3.96Å; W54-K128 HydrophobicContact CH2-CG 4.31Å; W54-K128 HydrophobicContact CZ2-CD 4.12Å; W54-K128 HydrophobicContact CZ3-CB 3.3Å; W54-K128 HydrophobicContact CZ3-CD 3.82Å; W54-K128 HydrophobicContact CZ3-CG 3.65Å; W54-A131 HydrophobicContact CH2-CB 4.14Å; W54-A131 HydrophobicContact CZ3-CB 4.27Å
55	E	52.5	Low	43.7	Very low	61 Å²	61	110.2 Å²	110.2	29%	0.285	57%	0.57	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.2	117.6	-173.9	-171.8	-176.8	159	0	0	110.6	S126 I127 K129 R161	E55-S126 WeakPolarHBondContact O-CA 3.37Å; E55-I127 PolarHBondContact N-O 3Å; E55-I127 VanDerWaalsContact N-O 3.07Å; E55-I127 PolarHBondContact O-N 2.71Å; E55-K129 WeakPolarHBondContact OE2-CE 3.33Å; E55-K129 IonicContact OE2-NZ 2.95Å; E55-K129 PolarHBondContact OE2-NZ 3.36Å; E55-R161 VanDerWaalsContact CD-NH2 3.26Å; E55-R161 IonicContact OE1-CZ 2.86Å; E55-R161 IonicContact OE1-NH1 3.84Å; E55-R161 IonicContact OE1-NH2 2.68Å; E55-R161 PolarHBondContact OE1-NH2 2.63Å; E55-R161 IonicContact OE2-NH2 3.14Å
56	I	44.9	Very low	44.6	Very low	126 Å²	126	106.6 Å²	106.6	65%	0.646	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82	132.6	167.8	-59.5	176.4	0	0	0	107.7	E58	I56-E58 PolarHBondContact O-N 2.92Å
57	I	55.7	Low	46.1	Very low	19 Å²	19	101 Å²	101	10%	0.097	54%	0.539	C	S	.	.			trans	-86.8	115.6	-179.5	-49.8	177	0	0	0	109.8	M125 I127 R161 R164	I57-M125 HydrophobicContact CD1-CB 3.91Å; I57-M125 HydrophobicContact CD1-CE 3.43Å; I57-M125 VanDerWaalsContact CD1-CE 3.43Å; I57-M125 HydrophobicContact CD1-CG 3.46Å; I57-M125 VanDerWaalsContact CD1-CG 3.46Å; I57-M125 HydrophobicContact CD1-SD 3.72Å; I57-M125 HydrophobicContact CG1-CB 4.42Å; I57-M125 HydrophobicContact CG1-CG 4.3Å; I57-M125 PolarHBondContact N-O 2.77Å; I57-I127 HydrophobicContact CD1-CD1 3.38Å; I57-I127 HydrophobicContact CD1-CG1 3.77Å; I57-I127 HydrophobicContact CG1-CD1 3.57Å; I57-I127 HydrophobicContact CG1-CG1 4.02Å; I57-R161 HydrophobicContact CD1-CG 3.88Å; I57-R161 HydrophobicContact CG2-CG 4.17Å; I57-R164 PolarHBondContact O-NH1 3.05Å
58	E	52.1	Low	48.1	Very low	135 Å²	135	103.6 Å²	103.6	63%	0.631	54%	0.539	S	S	*	.			trans	-54.9	151.3	171.4	-59.7	-177.4	130	0	0	111.7	I56 K61 R164	I56-E58 PolarHBondContact O-N 2.92Å; E58-K61 IonicContact OE1-NZ 2.71Å; E58-K61 PolarHBondContact OE1-NZ 3.16Å; E58-K61 WeakPolarHBondContact OE2-CE 3.26Å; E58-K61 IonicContact OE2-NZ 2.68Å; E58-K61 PolarHBondContact OE2-NZ 3.26Å; E58-R164 PolarHBondContact O-NH1 2.78Å; E58-R164 VanDerWaalsContact O-NH1 3.11Å
59	G	56	Low	50.2	Low	31 Å²	31	101 Å²	101	32%	0.32	53%	0.529	S	S	.	.			trans	-82.1	-175.8	175.3	0	0	0	0	0	113	K61	G59-K61 PolarHBondContact O-N 3.3Å
60	L	46.8	Very low	52.7	Low	47 Å²	47	92.9 Å²	92.9	25%	0.246	49%	0.491	C	S	.	.	P	Polyproline II helix	trans	-50.3	122.6	168.4	-166.9	76.9	0	0	0	110.6	Q64 L165 Q168 N169	L60-Q64 HydrophobicContact CD1-CB 3.77Å; L60-Q64 HydrophobicContact CG-CB 4.3Å; L60-L165 HydrophobicContact CB-CD1 4.13Å; L60-L165 HydrophobicContact CD1-CD1 3.63Å; L60-L165 HydrophobicContact CD1-CG 3.8Å; L60-L165 HydrophobicContact CG-CD1 4.5Å; L60-Q168 HydrophobicContact CB-CB 4.25Å; L60-N169 HydrophobicContact CD1-CB 4.44Å; L60-N169 HydrophobicContact CD2-CB 4.31Å
61	K	51.1	Low	55.1	Low	110 Å²	110	90.6 Å²	90.6	48%	0.478	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-85.8	145.9	175.2	-65.7	-171.3	-179.8	-176.8	0	110.3	E58 G59 G63 Q64	E58-K61 IonicContact OE1-NZ 2.71Å; E58-K61 PolarHBondContact OE1-NZ 3.16Å; E58-K61 WeakPolarHBondContact OE2-CE 3.26Å; E58-K61 IonicContact OE2-NZ 2.68Å; E58-K61 PolarHBondContact OE2-NZ 3.26Å; G59-K61 PolarHBondContact O-N 3.3Å; K61-G63 PolarHBondContact O-N 3.38Å; K61-Q64 WeakPolarHBondContact O-CB 3.44Å; K61-Q64 PolarHBondContact O-N 3.39Å
62	I	41	Very low	57.7	Low	184 Å²	184	93.3 Å²	93.3	94%	0.944	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	125.5	178.6	-59.3	173.8	0	0	0	108.8
63	G	46.1	Very low	59.9	Low	68 Å²	68	91 Å²	91	70%	0.701	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.3	-13.8	-176.5	0	0	0	0	0	116.3	K61 S65	K61-G63 PolarHBondContact O-N 3.38Å; G63-S65 PolarHBondContact O-N 2.77Å
64	Q	50.8	Low	62.4	Low	95 Å²	95	92 Å²	92	44%	0.444	47%	0.468	S	S	.	.			trans	-76.2	84.5	177.4	-72.1	-168.9	-46.4	0	0	112.6	L60 K61	L60-Q64 HydrophobicContact CD1-CB 3.77Å; L60-Q64 HydrophobicContact CG-CB 4.3Å; K61-Q64 WeakPolarHBondContact O-CB 3.44Å; K61-Q64 PolarHBondContact O-N 3.39Å
65	S	51.5	Low	64.9	Low	70 Å²	70	87.8 Å²	87.8	49%	0.49	46%	0.457	S	S	.	.			trans	-102.6	6.8	-169.8	65.6	0	0	0	0	116	G63 R173	G63-S65 PolarHBondContact O-N 2.77Å; S65-R173 PolarHBondContact O-NH1 3.17Å; S65-R173 PolarHBondContact O-NH2 3.1Å
66	N	50.8	Low	66.9	Low	151 Å²	151	89.2 Å²	89.2	81%	0.807	46%	0.462	S	S	*	.			trans	-138.1	98.3	175.2	-97.9	-24.6	0	0	0	112.2
67	V	63.4	Low	69.2	Low	22 Å²	22	83.4 Å²	83.4	13%	0.133	43%	0.432	C	S	.	.			trans	-116	108.9	170.9	-173.1	0	0	0	0	107.2	L165 Y166 N169	V67-L165 HydrophobicContact CG2-CD2 3.86Å; V67-L165 HydrophobicContact CG2-CG 3.98Å; V67-Y166 HydrophobicContact CG1-CD2 4.37Å; V67-N169 HydrophobicContact CG2-CB 4.43Å
68	Q	71.1	Confident	71.1	Confident	168 Å²	168	83.9 Å²	83.9	79%	0.785	44%	0.435	S	S	*	.			trans	-60.1	143.7	173.8	-74.5	-179	-25.4	0	0	110.6	P70 H162	Q68-P70 VanDerWaalsContact O-CD 3.23Å; Q68-P70 WeakPolarHBondContact O-CD 3.21Å; Q68-P70 VanDerWaalsContact O-N 3.16Å; Q68-H162 PolarHBondContact O-NE2 2.85Å
69	R	80.4	Confident	73.1	Confident	165 Å²	165	78.8 Å²	78.8	62%	0.623	41%	0.411	S	S	*	.			trans	-57.9	113.1	177.4	-175.5	174.3	-178.2	178.6	3.4	110.5	N97 Y166	R69-N97 VanDerWaalsContact CZ-OD1 3.26Å; R69-N97 PolarHBondContact NE-OD1 2.69Å; R69-N97 VanDerWaalsContact NH2-CG 3.3Å; R69-N97 PolarHBondContact NH2-ND2 3.16Å; R69-N97 VanDerWaalsContact NH2-ND2 3.12Å; R69-N97 PolarHBondContact NH2-OD1 3.28Å; R69-Y166 VanDerWaalsContact CA-CE2 3.42Å; R69-Y166 HydrophobicContact CB-CD2 4.44Å; R69-Y166 HydrophobicContact CB-CE2 3.7Å; R69-Y166 HydrophobicContact CG-CE1 4.36Å; R69-Y166 HydrophobicContact CG-CE2 4.05Å
70	P	87.4	Confident	74.6	Confident	5 Å²	5	81.9 Å²	81.9	3%	0.032	42%	0.416	C	S	.	.			trans	-74.6	140	-174.7	24	-29.2	0	0	0	112.7	Q68 K72 H162 H163 Y166	Q68-P70 VanDerWaalsContact O-CD 3.23Å; Q68-P70 WeakPolarHBondContact O-CD 3.21Å; Q68-P70 VanDerWaalsContact O-N 3.16Å; P70-K72 PolarHBondContact O-N 3.25Å; P70-H162 HydrophobicContact CB-CB 4.3Å; P70-H163 HydrophobicContact CG-CB 4.33Å; P70-H163 WeakPolarHBondContact CG-ND1 3.29Å; P70-H163 PolarHBondContact O-CE1 3.38Å; P70-Y166 VanDerWaalsContact CD-CG 3.44Å; P70-Y166 HydrophobicContact CG-CG 4.19Å
71	D	87.9	Confident	76	Confident	121 Å²	121	83.8 Å²	83.8	65%	0.647	42%	0.419	S	S	*	.			trans	-61.4	130.1	176.3	-14.6	-82.7	0	0	0	111.2	H73 K159 H163	D71-H73 PolarHBondContact O-N 3.31Å; D71-K159 PolarHBondContact O-NZ 3.14Å; D71-K159 IonicContact OD2-NZ 3.39Å; D71-K159 PolarHBondContact OD2-NZ 3Å; D71-H163 PolarHBondContact O-NE2 3.27Å
72	K	90.8	Very high	76.4	Confident	114 Å²	114	85.6 Å²	85.6	50%	0.496	43%	0.427	S	S	.	.			trans	-39.1	126.3	170.1	-179.3	-162.7	-177.5	-153.1	0	111.3	P70 E74 V94 L95 D96	P70-K72 PolarHBondContact O-N 3.25Å; K72-E74 WeakPolarHBondContact CE-OE2 3.3Å; K72-E74 IonicContact NZ-OE2 2.75Å; K72-E74 PolarHBondContact NZ-OE2 2.86Å; K72-V94 HydrophobicContact CD-CG1 4.45Å; K72-V94 VanDerWaalsContact CE-CG1 3.45Å; K72-V94 HydrophobicContact CG-CG1 4.21Å; K72-L95 WeakPolarHBondContact CA-O 3.18Å; K72-D96 HydrophobicContact CG-CB 4.23Å
73	H	94.2	Very high	76.5	Confident	46 Å²	46	83.6 Å²	83.6	21%	0.213	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.9	176.8	-169.7	60.8	0	0	0	110.8	D71 L95 W156 K159	D71-H73 PolarHBondContact O-N 3.31Å; H73-L95 PolarHBondContact N-O 3.01Å; H73-L95 PolarHBondContact O-N 3.16Å; H73-W156 AromaticContact CD2-CD2 3.62Å; H73-W156 AromaticContact CD2-CE2 3.65Å; H73-W156 AromaticContact CD2-CE3 3.68Å; H73-W156 AromaticContact CD2-CH2 3.8Å; H73-W156 AromaticContact CD2-CZ2 3.75Å; H73-W156 AromaticContact CD2-CZ3 3.77Å; H73-W156 AromaticContact NE2-CD2 3.78Å; H73-W156 AromaticContact NE2-CE2 3.6Å; H73-W156 AromaticContact NE2-CZ2 3.99Å; H73-W156 AromaticContact NE2-NE1 3.75Å; H73-K159 HydrophobicContact CB-CB 4.13Å; H73-K159 HydrophobicContact CB-CD 4.21Å; H73-K159 HydrophobicContact CB-CG 3.98Å
74	E	94.9	Very high	76.1	Confident	91 Å²	91	84.8 Å²	84.8	43%	0.425	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	153.9	-178.1	65.9	177.5	-123.9	0	0	112.9	K72 F92 F93 V94	K72-E74 WeakPolarHBondContact CE-OE2 3.3Å; K72-E74 IonicContact NZ-OE2 2.75Å; K72-E74 PolarHBondContact NZ-OE2 2.86Å; E74-F92 HydrophobicContact CB-CE1 4.14Å; E74-F92 HydrophobicContact CB-CZ 3.85Å; E74-F92 HydrophobicContact CG-CZ 3.95Å; E74-F92 WeakPolarHBondContact OE1-CZ 3.18Å; E74-F93 VanDerWaalsContact CA-O 3.23Å; E74-F93 WeakPolarHBondContact CA-O 3.4Å; E74-F93 WeakPolarHBondContact CB-O 3.46Å; E74-V94 HydrophobicContact CB-CG2 3.81Å
75	G	93.8	Very high	76.1	Confident	15 Å²	15	84.6 Å²	84.6	16%	0.155	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162	-175.4	-175.7	0	0	0	0	0	113.6	F92 F93	G75-F92 WeakPolarHBondContact O-CD2 3.49Å; G75-F93 PolarHBondContact N-O 3.22Å; G75-F93 PolarHBondContact O-N 3.39Å
76	F	93.7	Very high	76.5	Confident	91 Å²	91	87.7 Å²	87.7	40%	0.399	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	124.7	-178.8	-69.8	-78	0	0	0	112.5	K90 R91 F92 P106	F76-K90 HydrophobicContact CB-CD 4.43Å; F76-K90 HydrophobicContact CB-CG 4.09Å; F76-K90 HydrophobicContact CD1-CD 4.08Å; F76-K90 HydrophobicContact CD1-CG 3.73Å; F76-K90 HydrophobicContact CE1-CG 4.48Å; F76-K90 HydrophobicContact CG-CD 4.3Å; F76-K90 HydrophobicContact CG-CG 4.17Å; F76-R91 WeakPolarHBondContact CA-O 3.47Å; F76-F92 HydrophobicContact CD1-CB 4.02Å; F76-F92 AromaticContact CD1-CD2 3.88Å; F76-F92 HydrophobicContact CD1-CD2 3.88Å; F76-F92 HydrophobicContact CD1-CG 4.47Å; F76-F92 AromaticContact CD2-CD2 3.99Å; F76-F92 HydrophobicContact CD2-CD2 3.99Å; F76-F92 HydrophobicContact CD2-CE2 4.42Å; F76-F92 HydrophobicContact CE1-CB 3.75Å; F76-F92 AromaticContact CE1-CD2 3.74Å; F76-F92 HydrophobicContact CE1-CD2 3.74Å; F76-F92 HydrophobicContact CE1-CG 4.2Å; F76-F92 AromaticContact CE2-CD2 3.84Å; F76-F92 HydrophobicContact CE2-CD2 3.84Å; F76-F92 HydrophobicContact CE2-CE2 4.24Å; F76-F92 HydrophobicContact CG-CD2 4.02Å; F76-F92 HydrophobicContact CZ-CB 4.42Å; F76-F92 AromaticContact CZ-CD2 3.72Å; F76-F92 HydrophobicContact CZ-CD2 3.72Å; F76-F92 HydrophobicContact CZ-CE2 4.46Å; F76-F92 HydrophobicContact CZ-CG 4.44Å; F76-P106 HydrophobicContact CZ-CG 4.23Å
77	M	94.7	Very high	77.8	Confident	3 Å²	3	81.9 Å²	81.9	2%	0.015	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	160.5	167.2	-60.1	-169.8	-84.2	0	0	110.4	R91 F93 L100 L145 V147 W156	M77-R91 PolarHBondContact N-O 3.24Å; M77-R91 VanDerWaalsContact N-O 3.14Å; M77-R91 PolarHBondContact O-N 3.37Å; M77-F93 HydrophobicContact CB-CD2 3.72Å; M77-F93 HydrophobicContact CB-CE2 3.77Å; M77-F93 HydrophobicContact CE-CB 3.79Å; M77-F93 HydrophobicContact CE-CD1 3.81Å; M77-F93 HydrophobicContact CE-CD2 3.82Å; M77-F93 HydrophobicContact CE-CE1 4.34Å; M77-F93 HydrophobicContact CE-CE2 4.33Å; M77-F93 HydrophobicContact CE-CG 3.54Å; M77-F93 HydrophobicContact CG-CD2 4.25Å; M77-L100 HydrophobicContact CE-CD1 4.38Å; M77-L145 HydrophobicContact CE-CD1 3.89Å; M77-L145 HydrophobicContact SD-CB 4.47Å; M77-L145 HydrophobicContact SD-CD1 4.34Å; M77-V147 HydrophobicContact CG-CG2 4.04Å; M77-V147 HydrophobicContact SD-CG2 4.01Å; M77-W156 HydrophobicContact CE-CD2 3.7Å; M77-W156 HydrophobicContact CE-CE3 3.49Å; M77-W156 VanDerWaalsContact CE-CE3 3.49Å; M77-W156 HydrophobicContact CE-CG 4.5Å; M77-W156 HydrophobicContact CE-CH2 3.85Å; M77-W156 HydrophobicContact CE-CZ2 4.02Å; M77-W156 HydrophobicContact CE-CZ3 3.57Å; M77-W156 HydrophobicContact CG-CD2 4.22Å; M77-W156 HydrophobicContact CG-CG 4.41Å; M77-W156 HydrophobicContact CG-CZ2 4.34Å; M77-W156 HydrophobicContact SD-CB 4.38Å; M77-W156 HydrophobicContact SD-CD2 3.57Å; M77-W156 VanDerWaalsContact SD-CD2 3.57Å; M77-W156 HydrophobicContact SD-CE3 3.94Å; M77-W156 HydrophobicContact SD-CG 3.75Å; M77-W156 HydrophobicContact SD-CZ2 4.49Å
78	L	94.2	Very high	78.9	Confident	29 Å²	29	85.1 Å²	85.1	15%	0.152	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	116.3	170.9	-57.1	173.4	0	0	0	108.9	W88 H89 K90 L145 K146 K148	L78-W88 HydrophobicContact CB-CB 4.18Å; L78-W88 HydrophobicContact CB-CE3 3.95Å; L78-W88 HydrophobicContact CD1-CB 4.33Å; L78-W88 WeakPolarHBondContact O-CZ3 3.26Å; L78-H89 CarbonylContact C-O 3.58Å; L78-H89 WeakPolarHBondContact CA-O 3.4Å; L78-K90 HydrophobicContact CD2-CB 4.13Å; L78-L145 CarbonylContact O-C 3.59Å; L78-L145 WeakPolarHBondContact O-CA 3.47Å; L78-K146 HydrophobicContact CB-CB 4.31Å; L78-K146 VanDerWaalsContact CB-O 3.29Å; L78-K146 WeakPolarHBondContact CB-O 3.46Å; L78-K146 PolarHBondContact N-O 3.29Å; L78-K146 PolarHBondContact O-N 2.95Å; L78-K148 HydrophobicContact CD1-CG 4.11Å
79	K	93.5	Very high	79.7	Confident	29 Å²	29	80 Å²	80	13%	0.126	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	131.1	170.5	-167.2	-177.5	-171.2	-73.7	0	109.8	H89 R91 F93 Y102 Y143 L145	K79-H89 PolarHBondContact N-O 3.19Å; K79-H89 PolarHBondContact O-N 3.15Å; K79-R91 HydrophobicContact CB-CG 4.16Å; K79-F93 HydrophobicContact CB-CE2 4.44Å; K79-F93 HydrophobicContact CB-CZ 4.12Å; K79-F93 HydrophobicContact CD-CZ 4.44Å; K79-F93 HydrophobicContact CG-CZ 4.44Å; K79-Y102 HydrophobicContact CD-CD2 4.37Å; K79-Y102 HydrophobicContact CD-CE1 4.07Å; K79-Y102 HydrophobicContact CD-CE2 3.78Å; K79-Y102 WeakPolarHBondContact CE-OH 3.44Å; K79-Y143 VanDerWaalsContact CE-CD1 3.41Å; K79-L145 HydrophobicContact CB-CD2 4.3Å; K79-L145 HydrophobicContact CG-CD2 4.06Å
80	K	88.2	Confident	80.3	Confident	96 Å²	96	78.1 Å²	78.1	42%	0.417	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.2	165.3	-161.6	-171.3	177.4	-166	0	108.6	W88 H144	K80-W88 HydrophobicContact CB-CD2 4.39Å; K80-W88 HydrophobicContact CB-CE3 4.05Å; K80-W88 HydrophobicContact CB-CH2 4.06Å; K80-W88 HydrophobicContact CB-CZ2 4.39Å; K80-W88 HydrophobicContact CB-CZ3 3.88Å; K80-H144 HydrophobicContact CB-CB 3.8Å; K80-H144 HydrophobicContact CD-CB 4.32Å; K80-H144 PolarHBondContact N-O 2.97Å
81	R	76	Confident	80.6	Confident	86 Å²	86	79 Å²	79	33%	0.325	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	150.8	168.9	-67.6	-177.5	101.5	178.9	-2.4	110.1	L85 G87 H89	R81-L85 VanDerWaalsContact CB-O 3.28Å; R81-L85 WeakPolarHBondContact CB-O 3.29Å; R81-G87 PolarHBondContact N-O 3.02Å; R81-G87 VanDerWaalsContact N-O 3.09Å; R81-H89 WeakPolarHBondContact CD-ND1 3.35Å; R81-H89 HydrophobicContact CG-CB 4.46Å
82	K	59.4	Low	81	Confident	149 Å²	149	74 Å²	74	65%	0.648	34%	0.342	S	S	*	.			trans	-74.5	174.4	167.8	-65	-175.2	176.7	-178.2	0	109.4	L85	K82-L85 CarbonylContact O-C 3.5Å; K82-L85 PolarHBondContact O-N 3.11Å
83	W	43.9	Very low	81.2	Confident	142 Å²	142	68.5 Å²	68.5	54%	0.538	32%	0.318	S	S	.	.	S	Bend	trans	-50.2	149.5	171.5	-135	110.4	0	0	0	111.1	D500	W83-D500 WeakPolarHBondContact CH2-OD2 3.3Å
84	P	37.8	Very low	81.3	Confident	92 Å²	92	67 Å²	67	60%	0.597	31%	0.312	S	S	*	.	S	Bend	cis	-72	-23.9	-9.9	25.8	-32.5	0	0	0	114.5	K86	P84-K86 PolarHBondContact O-N 2.69Å
85	L	50.4	Low	81.3	Confident	91 Å²	91	62.6 Å²	62.6	48%	0.476	29%	0.292	S	S	.	.	S	Bend	trans	-80.9	53.1	-170.4	-60.5	176.9	0	0	0	112.7	R81 K82 G87	R81-L85 VanDerWaalsContact CB-O 3.28Å; R81-L85 WeakPolarHBondContact CB-O 3.29Å; K82-L85 CarbonylContact O-C 3.5Å; K82-L85 PolarHBondContact O-N 3.11Å; L85-G87 PolarHBondContact O-N 2.89Å
86	K	59.4	Low	81.3	Confident	136 Å²	136	64.6 Å²	64.6	59%	0.591	30%	0.299	S	S	*	.			trans	-45.5	121	176.4	-71.9	-178.6	178.3	175.1	0	109.8	P84 E497	P84-K86 PolarHBondContact O-N 2.69Å; K86-E497 IonicContact NZ-OE2 2.96Å
87	G	78.1	Confident	81.1	Confident	28 Å²	28	62.1 Å²	62.1	29%	0.289	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	137.5	175.8	169.8	0	0	0	0	0	117.1	R81 L85 H89	R81-G87 PolarHBondContact N-O 3.02Å; R81-G87 VanDerWaalsContact N-O 3.09Å; L85-G87 PolarHBondContact O-N 2.89Å; G87-H89 PolarHBondContact O-ND1 3.44Å
88	W	87.3	Confident	80.8	Confident	91 Å²	91	62 Å²	62	35%	0.345	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	100.4	-173.4	-71.5	103.9	0	0	0	112.2	L78 K80 R133 H144 K146	L78-W88 HydrophobicContact CB-CB 4.18Å; L78-W88 HydrophobicContact CB-CE3 3.95Å; L78-W88 HydrophobicContact CD1-CB 4.33Å; L78-W88 WeakPolarHBondContact O-CZ3 3.26Å; K80-W88 HydrophobicContact CB-CD2 4.39Å; K80-W88 HydrophobicContact CB-CE3 4.05Å; K80-W88 HydrophobicContact CB-CH2 4.06Å; K80-W88 HydrophobicContact CB-CZ2 4.39Å; K80-W88 HydrophobicContact CB-CZ3 3.88Å; W88-R133 HydrophobicContact CH2-CG 4.05Å; W88-H144 HydrophobicContact CH2-CB 3.85Å; W88-H144 HydrophobicContact CZ3-CB 4.24Å; W88-H144 WeakPolarHBondContact CZ3-O 3.43Å; W88-K146 HydrophobicContact CD2-CB 4.27Å; W88-K146 HydrophobicContact CE3-CB 3.69Å; W88-K146 HydrophobicContact CH2-CB 3.79Å; W88-K146 HydrophobicContact CZ2-CB 4.36Å; W88-K146 HydrophobicContact CZ2-CD 4.4Å; W88-K146 HydrophobicContact CZ3-CB 3.43Å; W88-K146 VanDerWaalsContact CZ3-CB 3.43Å
89	H	87.5	Confident	80.7	Confident	59 Å²	59	62.4 Å²	62.4	27%	0.273	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	128.1	-175.4	-75.8	78.3	0	0	0	112.3	L78 K79 R81 G87 R91	L78-H89 CarbonylContact C-O 3.58Å; L78-H89 WeakPolarHBondContact CA-O 3.4Å; K79-H89 PolarHBondContact N-O 3.19Å; K79-H89 PolarHBondContact O-N 3.15Å; R81-H89 WeakPolarHBondContact CD-ND1 3.35Å; R81-H89 HydrophobicContact CG-CB 4.46Å; G87-H89 PolarHBondContact O-ND1 3.44Å; H89-R91 PolarHBondContact O-N 3Å
90	K	93	Very high	80.8	Confident	126 Å²	126	61 Å²	61	55%	0.548	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	124.6	170.1	-171.8	178.2	177	-175.7	0	109.6	F76 L78	F76-K90 HydrophobicContact CB-CD 4.43Å; F76-K90 HydrophobicContact CB-CG 4.09Å; F76-K90 HydrophobicContact CD1-CD 4.08Å; F76-K90 HydrophobicContact CD1-CG 3.73Å; F76-K90 HydrophobicContact CE1-CG 4.48Å; F76-K90 HydrophobicContact CG-CD 4.3Å; F76-K90 HydrophobicContact CG-CG 4.17Å; L78-K90 HydrophobicContact CD2-CB 4.13Å
91	R	94.3	Very high	81.1	Confident	25 Å²	25	60.3 Å²	60.3	9%	0.094	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	146.5	175.1	-68.1	-68.4	173.2	-97.3	6.3	108.5	F76 M77 K79 H89 F93 Y102 S103	F76-R91 WeakPolarHBondContact CA-O 3.47Å; M77-R91 PolarHBondContact N-O 3.24Å; M77-R91 VanDerWaalsContact N-O 3.14Å; M77-R91 PolarHBondContact O-N 3.37Å; K79-R91 HydrophobicContact CB-CG 4.16Å; H89-R91 PolarHBondContact O-N 3Å; R91-F93 HydrophobicContact CB-CD2 4.19Å; R91-F93 HydrophobicContact CB-CE2 3.68Å; R91-F93 HydrophobicContact CB-CZ 4.36Å; R91-F93 WeakPolarHBondContact O-CD2 3.46Å; R91-Y102 HydrophobicContact CB-CD2 4.4Å; R91-Y102 HydrophobicContact CG-CD2 4.34Å; R91-S103 WeakPolarHBondContact CA-O 3.21Å; R91-S103 WeakPolarHBondContact CB-O 3.35Å; R91-S103 WeakPolarHBondContact CD-O 2.89Å
92	F	95.1	Very high	82	Confident	14 Å²	14	57.3 Å²	57.3	6%	0.061	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	131.1	170.8	-164.9	-109.6	0	0	0	108.2	E74 G75 F76 V94 Y102 S103 P106 I109	E74-F92 HydrophobicContact CB-CE1 4.14Å; E74-F92 HydrophobicContact CB-CZ 3.85Å; E74-F92 HydrophobicContact CG-CZ 3.95Å; E74-F92 WeakPolarHBondContact OE1-CZ 3.18Å; G75-F92 WeakPolarHBondContact O-CD2 3.49Å; F76-F92 HydrophobicContact CD1-CB 4.02Å; F76-F92 AromaticContact CD1-CD2 3.88Å; F76-F92 HydrophobicContact CD1-CD2 3.88Å; F76-F92 HydrophobicContact CD1-CG 4.47Å; F76-F92 AromaticContact CD2-CD2 3.99Å; F76-F92 HydrophobicContact CD2-CD2 3.99Å; F76-F92 HydrophobicContact CD2-CE2 4.42Å; F76-F92 HydrophobicContact CE1-CB 3.75Å; F76-F92 AromaticContact CE1-CD2 3.74Å; F76-F92 HydrophobicContact CE1-CD2 3.74Å; F76-F92 HydrophobicContact CE1-CG 4.2Å; F76-F92 AromaticContact CE2-CD2 3.84Å; F76-F92 HydrophobicContact CE2-CD2 3.84Å; F76-F92 HydrophobicContact CE2-CE2 4.24Å; F76-F92 HydrophobicContact CG-CD2 4.02Å; F76-F92 HydrophobicContact CZ-CB 4.42Å; F76-F92 AromaticContact CZ-CD2 3.72Å; F76-F92 HydrophobicContact CZ-CD2 3.72Å; F76-F92 HydrophobicContact CZ-CE2 4.46Å; F76-F92 HydrophobicContact CZ-CG 4.44Å; F92-V94 HydrophobicContact CD1-CG2 4.25Å; F92-V94 HydrophobicContact CE1-CG2 3.84Å; F92-Y102 CarbonylContact O-C 3.59Å; F92-Y102 WeakPolarHBondContact O-CA 3.38Å; F92-Y102 VanDerWaalsContact O-CB 3.31Å; F92-Y102 WeakPolarHBondContact O-CB 3.38Å; F92-S103 PolarHBondContact N-O 3.44Å; F92-S103 VanDerWaalsContact N-O 3.1Å; F92-S103 PolarHBondContact O-N 2.99Å; F92-P106 HydrophobicContact CB-CG 4.38Å; F92-P106 HydrophobicContact CD1-CB 3.88Å; F92-P106 HydrophobicContact CD1-CG 3.87Å; F92-P106 HydrophobicContact CD2-CG 3.8Å; F92-P106 HydrophobicContact CE1-CB 3.84Å; F92-P106 HydrophobicContact CE1-CG 4.02Å; F92-P106 HydrophobicContact CE2-CG 3.94Å; F92-P106 HydrophobicContact CG-CB 4.28Å; F92-P106 HydrophobicContact CG-CG 3.75Å; F92-P106 HydrophobicContact CZ-CB 4.21Å; F92-P106 HydrophobicContact CZ-CG 4.05Å; F92-I109 HydrophobicContact CD1-CD1 3.85Å
93	F	96.1	Very high	83.7	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	141.5	-178.9	-77.8	-94.3	0	0	0	109.5	E74 G75 M77 K79 R91 L100 K101 Y102 L145 W156	E74-F93 VanDerWaalsContact CA-O 3.23Å; E74-F93 WeakPolarHBondContact CA-O 3.4Å; E74-F93 WeakPolarHBondContact CB-O 3.46Å; G75-F93 PolarHBondContact N-O 3.22Å; G75-F93 PolarHBondContact O-N 3.39Å; M77-F93 HydrophobicContact CB-CD2 3.72Å; M77-F93 HydrophobicContact CB-CE2 3.77Å; M77-F93 HydrophobicContact CE-CB 3.79Å; M77-F93 HydrophobicContact CE-CD1 3.81Å; M77-F93 HydrophobicContact CE-CD2 3.82Å; M77-F93 HydrophobicContact CE-CE1 4.34Å; M77-F93 HydrophobicContact CE-CE2 4.33Å; M77-F93 HydrophobicContact CE-CG 3.54Å; M77-F93 HydrophobicContact CG-CD2 4.25Å; K79-F93 HydrophobicContact CB-CE2 4.44Å; K79-F93 HydrophobicContact CB-CZ 4.12Å; K79-F93 HydrophobicContact CD-CZ 4.44Å; K79-F93 HydrophobicContact CG-CZ 4.44Å; R91-F93 HydrophobicContact CB-CD2 4.19Å; R91-F93 HydrophobicContact CB-CE2 3.68Å; R91-F93 HydrophobicContact CB-CZ 4.36Å; R91-F93 WeakPolarHBondContact O-CD2 3.46Å; F93-L100 HydrophobicContact CB-CD1 4.13Å; F93-L100 HydrophobicContact CD1-CD1 3.73Å; F93-L100 HydrophobicContact CD1-CD2 4.06Å; F93-L100 HydrophobicContact CD1-CG 3.79Å; F93-L100 HydrophobicContact CE1-CD2 4.25Å; F93-L100 HydrophobicContact CE1-CG 4.33Å; F93-L100 HydrophobicContact CG-CD1 4.37Å; F93-K101 CarbonylContact C-O 3.41Å; F93-K101 WeakPolarHBondContact CA-O 3.36Å; F93-Y102 VanDerWaalsContact CD1-CB 3.49Å; F93-Y102 HydrophobicContact CD1-CD1 4.29Å; F93-Y102 HydrophobicContact CD1-CG 4.21Å; F93-Y102 AromaticContact CE1-CD1 3.65Å; F93-Y102 HydrophobicContact CE1-CD1 3.65Å; F93-Y102 AromaticContact CE1-CG 3.73Å; F93-Y102 HydrophobicContact CE1-CG 3.73Å; F93-Y102 HydrophobicContact CZ-CD1 4.22Å; F93-Y102 HydrophobicContact CZ-CG 4.02Å; F93-L145 HydrophobicContact CE1-CD1 4.37Å; F93-L145 HydrophobicContact CE1-CD2 3.82Å; F93-L145 HydrophobicContact CE2-CD2 4.2Å; F93-L145 HydrophobicContact CZ-CD2 3.38Å; F93-W156 HydrophobicContact CB-CH2 3.73Å; F93-W156 HydrophobicContact CB-CZ2 4.21Å; F93-W156 HydrophobicContact CB-CZ3 4.42Å
94	V	95.8	Very high	85.8	Confident	13 Å²	13	48.9 Å²	48.9	8%	0.079	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	118.2	170.9	170.6	0	0	0	0	107.2	K72 E74 F92 D96 K101 I109	K72-V94 HydrophobicContact CD-CG1 4.45Å; K72-V94 VanDerWaalsContact CE-CG1 3.45Å; K72-V94 HydrophobicContact CG-CG1 4.21Å; E74-V94 HydrophobicContact CB-CG2 3.81Å; F92-V94 HydrophobicContact CD1-CG2 4.25Å; F92-V94 HydrophobicContact CE1-CG2 3.84Å; V94-D96 HydrophobicContact CG1-CB 4.4Å; V94-K101 PolarHBondContact N-O 3.21Å; V94-K101 PolarHBondContact O-N 3.02Å; V94-I109 HydrophobicContact CB-CD1 4.3Å; V94-I109 HydrophobicContact CG2-CD1 3.75Å; V94-I109 HydrophobicContact CG2-CG2 4.41Å
95	L	95.1	Very high	88.2	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.4	173.1	178.6	64.8	0	0	0	108.3	K72 H73 L100 V120 W156 K159 L160 H163	K72-L95 WeakPolarHBondContact CA-O 3.18Å; H73-L95 PolarHBondContact N-O 3.01Å; H73-L95 PolarHBondContact O-N 3.16Å; L95-L100 HydrophobicContact CB-CD1 3.86Å; L95-L100 HydrophobicContact CD1-CB 3.98Å; L95-L100 HydrophobicContact CD1-CD1 4.21Å; L95-V120 HydrophobicContact CD1-CG2 4.02Å; L95-W156 HydrophobicContact CB-CZ3 3.98Å; L95-W156 HydrophobicContact CD2-CZ3 4.43Å; L95-K159 HydrophobicContact CD2-CB 4.18Å; L95-L160 HydrophobicContact CD1-CD2 3.84Å; L95-L160 HydrophobicContact CD2-CD2 3.65Å; L95-L160 HydrophobicContact CD2-CG 3.91Å; L95-L160 HydrophobicContact CG-CD2 4.36Å; L95-H163 HydrophobicContact CD1-CB 3.87Å; L95-H163 HydrophobicContact CD2-CB 3.95Å; L95-H163 WeakPolarHBondContact CD2-CD2 3.24Å; L95-H163 HydrophobicContact CG-CB 3.96Å; L95-H163 VanDerWaalsContact CG-CD2 3.48Å; L95-H163 WeakPolarHBondContact CG-CD2 3.34Å
96	D	93.6	Very high	90.1	Very high	56 Å²	56	45 Å²	45	30%	0.299	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	131.1	-176.9	-176.1	30.4	0	0	0	110.3	K72 V94 G98 I99	K72-D96 HydrophobicContact CG-CB 4.23Å; V94-D96 HydrophobicContact CG1-CB 4.4Å; D96-G98 PolarHBondContact O-N 3.28Å; D96-I99 PolarHBondContact N-O 3.29Å; D96-I99 PolarHBondContact O-N 2.95Å
97	N	89.2	Confident	91.5	Very high	39 Å²	39	43 Å²	43	21%	0.209	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	21.3	177.2	-51.2	-52.2	0	0	0	116.3	R69 H163 Y166	R69-N97 VanDerWaalsContact CZ-OD1 3.26Å; R69-N97 PolarHBondContact NE-OD1 2.69Å; R69-N97 VanDerWaalsContact NH2-CG 3.3Å; R69-N97 PolarHBondContact NH2-ND2 3.16Å; R69-N97 VanDerWaalsContact NH2-ND2 3.12Å; R69-N97 PolarHBondContact NH2-OD1 3.28Å; N97-H163 PolarHBondContact N-ND1 2.87Å; N97-Y166 HydrophobicContact CB-CE1 4.46Å
98	G	88.1	Confident	91.9	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	106.1	-13.8	-176.4	0	0	0	0	0	115.1	D96 V120 H163	D96-G98 PolarHBondContact O-N 3.28Å; G98-V120 WeakPolarHBondContact O-CB 3.35Å; G98-V120 WeakPolarHBondContact O-CG2 3.26Å; G98-V120 PolarHBondContact O-N 3.25Å; G98-H163 PolarHBondContact N-ND1 2.91Å
99	I	93.4	Very high	91.9	Very high	38 Å²	38	40.5 Å²	40.5	20%	0.195	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	121.7	-174.4	-47.2	-56.4	0	0	0	109.6	D96 K101 S117 I118 D119	D96-I99 PolarHBondContact N-O 3.29Å; D96-I99 PolarHBondContact O-N 2.95Å; I99-K101 HydrophobicContact CG2-CD 4.48Å; I99-K101 HydrophobicContact CG2-CG 3.95Å; I99-S117 WeakPolarHBondContact CG2-OG 3.49Å; I99-I118 CarbonylContact C-O 3.54Å; I99-I118 WeakPolarHBondContact CA-O 3.29Å; I99-D119 HydrophobicContact CD1-CB 3.96Å; I99-D119 WeakPolarHBondContact CD1-OD2 3.31Å
100	L	95.3	Very high	91.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	101	177	-179.3	68.7	0	0	0	109.7	M77 F93 L95 I118 V120 L136 L145 W156 L160	M77-L100 HydrophobicContact CE-CD1 4.38Å; F93-L100 HydrophobicContact CB-CD1 4.13Å; F93-L100 HydrophobicContact CD1-CD1 3.73Å; F93-L100 HydrophobicContact CD1-CD2 4.06Å; F93-L100 HydrophobicContact CD1-CG 3.79Å; F93-L100 HydrophobicContact CE1-CD2 4.25Å; F93-L100 HydrophobicContact CE1-CG 4.33Å; F93-L100 HydrophobicContact CG-CD1 4.37Å; L95-L100 HydrophobicContact CB-CD1 3.86Å; L95-L100 HydrophobicContact CD1-CB 3.98Å; L95-L100 HydrophobicContact CD1-CD1 4.21Å; L100-I118 HydrophobicContact CB-CB 4.22Å; L100-I118 HydrophobicContact CD2-CD1 4.06Å; L100-I118 HydrophobicContact CG-CD1 4.42Å; L100-I118 PolarHBondContact N-O 2.87Å; L100-I118 PolarHBondContact O-N 2.74Å; L100-V120 HydrophobicContact CB-CG2 3.62Å; L100-L136 HydrophobicContact CD2-CD1 3.62Å; L100-L145 HydrophobicContact CD2-CD1 3.86Å; L100-W156 HydrophobicContact CD1-CH2 4.47Å; L100-W156 HydrophobicContact CD1-CZ3 3.89Å; L100-L160 HydrophobicContact CD2-CD2 4.16Å
101	K	95	Very high	91.3	Very high	81 Å²	81	49.2 Å²	49.2	35%	0.352	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	147.7	-179.8	-61.1	177.8	-179.1	176	0	110.2	F93 V94 I99 L114	F93-K101 CarbonylContact C-O 3.41Å; F93-K101 WeakPolarHBondContact CA-O 3.36Å; V94-K101 PolarHBondContact N-O 3.21Å; V94-K101 PolarHBondContact O-N 3.02Å; I99-K101 HydrophobicContact CG2-CD 4.48Å; I99-K101 HydrophobicContact CG2-CG 3.95Å; K101-L114 HydrophobicContact CB-CD1 4.44Å; K101-L114 HydrophobicContact CB-CD2 4.19Å; K101-L114 HydrophobicContact CD-CD1 4.05Å; K101-L114 HydrophobicContact CG-CD1 4.34Å
102	Y	95	Very high	90.7	Very high	23 Å²	23	50.8 Å²	50.8	9%	0.09	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	160.7	177.9	72.1	-95.1	0	0	0	115.5	K79 R91 F92 F93 H115 G116 I118 Y143	K79-Y102 HydrophobicContact CD-CD2 4.37Å; K79-Y102 HydrophobicContact CD-CE1 4.07Å; K79-Y102 HydrophobicContact CD-CE2 3.78Å; K79-Y102 WeakPolarHBondContact CE-OH 3.44Å; R91-Y102 HydrophobicContact CB-CD2 4.4Å; R91-Y102 HydrophobicContact CG-CD2 4.34Å; F92-Y102 CarbonylContact O-C 3.59Å; F92-Y102 WeakPolarHBondContact O-CA 3.38Å; F92-Y102 VanDerWaalsContact O-CB 3.31Å; F92-Y102 WeakPolarHBondContact O-CB 3.38Å; F93-Y102 VanDerWaalsContact CD1-CB 3.49Å; F93-Y102 HydrophobicContact CD1-CD1 4.29Å; F93-Y102 HydrophobicContact CD1-CG 4.21Å; F93-Y102 AromaticContact CE1-CD1 3.65Å; F93-Y102 HydrophobicContact CE1-CD1 3.65Å; F93-Y102 AromaticContact CE1-CG 3.73Å; F93-Y102 HydrophobicContact CE1-CG 3.73Å; F93-Y102 HydrophobicContact CZ-CD1 4.22Å; F93-Y102 HydrophobicContact CZ-CG 4.02Å; Y102-H115 HydrophobicContact CD2-CB 3.91Å; Y102-H115 HydrophobicContact CE2-CB 3.61Å; Y102-H115 WeakPolarHBondContact CE2-O 3.38Å; Y102-H115 PolarHBondContact O-N 2.94Å; Y102-H115 PolarHBondContact OH-O 3.5Å; Y102-G116 PolarHBondContact N-O 3.38Å; Y102-I118 HydrophobicContact CE1-CD1 4.41Å; Y102-Y143 HydrophobicContact CE1-CD1 4.34Å; Y102-Y143 HydrophobicContact CE1-CE1 4.19Å
103	S	93.7	Very high	90.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	-175.9	-179.7	70.4	0	0	0	0	112.3	R91 F92 T105 I109	R91-S103 WeakPolarHBondContact CA-O 3.21Å; R91-S103 WeakPolarHBondContact CB-O 3.35Å; R91-S103 WeakPolarHBondContact CD-O 2.89Å; F92-S103 PolarHBondContact N-O 3.44Å; F92-S103 VanDerWaalsContact N-O 3.1Å; F92-S103 PolarHBondContact O-N 2.99Å; S103-T105 PolarHBondContact OG-N 2.93Å; S103-T105 PolarHBondContact OG-O 2.94Å; S103-I109 WeakPolarHBondContact OG-CG1 3.47Å
104	K	88.9	Confident	89.9	Confident	115 Å²	115	60.2 Å²	60.2	50%	0.5	30%	0.3	S	S	.	.	S	Bend	trans	-68.7	-50.9	166.9	-73.1	167.9	-177.4	177.5	0	111.6	D108 H115	K104-D108 WeakPolarHBondContact CB-OD2 3.49Å; K104-H115 WeakPolarHBondContact CE-NE2 3.32Å; K104-H115 WeakPolarHBondContact CG-NE2 3.4Å
105	T	88.7	Confident	89.4	Confident	59 Å²	59	62.6 Å²	62.6	36%	0.362	31%	0.31	S	S	.	.	S	Bend	trans	-130	157.5	-174.9	72.7	0	0	0	0	112.9	S103 I107 D108	S103-T105 PolarHBondContact OG-N 2.93Å; S103-T105 PolarHBondContact OG-O 2.94Å; T105-I107 PolarHBondContact O-N 2.9Å; T105-D108 WeakPolarHBondContact CB-OD2 3.48Å; T105-D108 PolarHBondContact N-OD2 3.26Å; T105-D108 WeakPolarHBondContact O-CB 3.24Å; T105-D108 PolarHBondContact O-N 2.91Å; T105-D108 VanDerWaalsContact O-N 3.11Å; T105-D108 PolarHBondContact OG1-N 2.93Å; T105-D108 PolarHBondContact OG1-OD2 3.28Å
106	P	89.1	Confident	89.1	Confident	43 Å²	43	63.6 Å²	63.6	28%	0.279	32%	0.321	S	S	.	.	H	α-helix	trans	-55.9	-37.2	174.2	-22.8	31.7	0	0	0	113.3	F76 F92 D108 I109 Q110	F76-P106 HydrophobicContact CZ-CG 4.23Å; F92-P106 HydrophobicContact CB-CG 4.38Å; F92-P106 HydrophobicContact CD1-CB 3.88Å; F92-P106 HydrophobicContact CD1-CG 3.87Å; F92-P106 HydrophobicContact CD2-CG 3.8Å; F92-P106 HydrophobicContact CE1-CB 3.84Å; F92-P106 HydrophobicContact CE1-CG 4.02Å; F92-P106 HydrophobicContact CE2-CG 3.94Å; F92-P106 HydrophobicContact CG-CB 4.28Å; F92-P106 HydrophobicContact CG-CG 3.75Å; F92-P106 HydrophobicContact CZ-CB 4.21Å; F92-P106 HydrophobicContact CZ-CG 4.05Å; P106-D108 VanDerWaalsContact C-N 3.3Å; P106-D108 PolarHBondContact O-N 3.39Å; P106-I109 PolarHBondContact O-N 2.91Å; P106-Q110 PolarHBondContact O-N 3.49Å; P106-Q110 VanDerWaalsContact O-N 3.16Å
107	I	88.8	Confident	88.9	Confident	92 Å²	92	63.8 Å²	63.8	47%	0.472	33%	0.326	S	S	.	.	H	α-helix	trans	-63.4	-35.7	179.2	-57.4	172.2	0	0	0	110.9	T105 I109 Q110 R111	T105-I107 PolarHBondContact O-N 2.9Å; I107-I109 VanDerWaalsContact C-N 3.3Å; I107-I109 PolarHBondContact O-N 3.39Å; I107-Q110 PolarHBondContact O-N 2.77Å; I107-R111 HydrophobicContact CG2-CG 4.46Å; I107-R111 WeakPolarHBondContact O-CB 3.3Å; I107-R111 WeakPolarHBondContact O-CG 3.41Å; I107-R111 PolarHBondContact O-N 3.47Å
108	D	87.4	Confident	89	Confident	33 Å²	33	62 Å²	62	18%	0.176	32%	0.317	C	S	.	.	H	α-helix	trans	-61.3	-37.8	173.7	-63.7	-61.7	0	0	0	111.7	K104 T105 P106 R111 G112 K113	K104-D108 WeakPolarHBondContact CB-OD2 3.49Å; T105-D108 WeakPolarHBondContact CB-OD2 3.48Å; T105-D108 PolarHBondContact N-OD2 3.26Å; T105-D108 WeakPolarHBondContact O-CB 3.24Å; T105-D108 PolarHBondContact O-N 2.91Å; T105-D108 VanDerWaalsContact O-N 3.11Å; T105-D108 PolarHBondContact OG1-N 2.93Å; T105-D108 PolarHBondContact OG1-OD2 3.28Å; P106-D108 VanDerWaalsContact C-N 3.3Å; P106-D108 PolarHBondContact O-N 3.39Å; D108-R111 CarbonylContact O-C 3.6Å; D108-R111 PolarHBondContact O-N 2.85Å; D108-G112 PolarHBondContact O-N 2.86Å; D108-K113 HydrophobicContact CB-CB 4.24Å; D108-K113 WeakPolarHBondContact O-CA 3.27Å; D108-K113 PolarHBondContact O-N 2.98Å
109	I	86	Confident	89.1	Confident	35 Å²	35	63.5 Å²	63.5	18%	0.179	33%	0.325	C	S	.	.	H	α-helix	trans	-69.4	-43.4	178.5	-55.4	-164.6	0	0	0	110.5	F92 V94 S103 P106 I107 R111 G112 L114	F92-I109 HydrophobicContact CD1-CD1 3.85Å; V94-I109 HydrophobicContact CB-CD1 4.3Å; V94-I109 HydrophobicContact CG2-CD1 3.75Å; V94-I109 HydrophobicContact CG2-CG2 4.41Å; S103-I109 WeakPolarHBondContact OG-CG1 3.47Å; P106-I109 PolarHBondContact O-N 2.91Å; I107-I109 VanDerWaalsContact C-N 3.3Å; I107-I109 PolarHBondContact O-N 3.39Å; I109-R111 PolarHBondContact O-N 3.25Å; I109-G112 PolarHBondContact O-N 3.07Å; I109-L114 HydrophobicContact CB-CD2 4.43Å; I109-L114 HydrophobicContact CG1-CD2 4.22Å; I109-L114 HydrophobicContact CG2-CD2 4.06Å
110	Q	83.6	Confident	88.8	Confident	162 Å²	162	61.7 Å²	61.7	76%	0.757	32%	0.315	S	S	*	.	H	α-helix	trans	-61.1	-30.2	175.4	-67.1	172.7	-13.8	0	0	112.3	P106 I107	P106-Q110 PolarHBondContact O-N 3.49Å; P106-Q110 VanDerWaalsContact O-N 3.16Å; I107-Q110 PolarHBondContact O-N 2.77Å
111	R	84.3	Confident	88.1	Confident	206 Å²	206	61.8 Å²	61.8	78%	0.777	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	12.3	174.1	-65.7	178	176.6	-179.3	-3.5	114	I107 D108 I109 K113	I107-R111 HydrophobicContact CG2-CG 4.46Å; I107-R111 WeakPolarHBondContact O-CB 3.3Å; I107-R111 WeakPolarHBondContact O-CG 3.41Å; I107-R111 PolarHBondContact O-N 3.47Å; D108-R111 CarbonylContact O-C 3.6Å; D108-R111 PolarHBondContact O-N 2.85Å; I109-R111 PolarHBondContact O-N 3.25Å; R111-K113 PolarHBondContact O-N 2.77Å; R111-K113 VanDerWaalsContact O-N 3.14Å
112	G	82.4	Confident	87.3	Confident	57 Å²	57	64 Å²	64	59%	0.588	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	1.6	178.5	0	0	0	0	0	116.3	D108 I109 L114	D108-G112 PolarHBondContact O-N 2.86Å; I109-G112 PolarHBondContact O-N 3.07Å; G112-L114 PolarHBondContact O-N 2.85Å
113	K	85.8	Confident	86.4	Confident	142 Å²	142	62.9 Å²	62.9	62%	0.617	33%	0.328	S	S	*	.			trans	-81.9	60.3	-174.4	-163.2	167.1	-172.6	164.7	0	112.5	D108 R111 H115	D108-K113 HydrophobicContact CB-CB 4.24Å; D108-K113 WeakPolarHBondContact O-CA 3.27Å; D108-K113 PolarHBondContact O-N 2.98Å; R111-K113 PolarHBondContact O-N 2.77Å; R111-K113 VanDerWaalsContact O-N 3.14Å; K113-H115 PolarHBondContact O-ND1 3.43Å
114	L	88.8	Confident	85.5	Confident	71 Å²	71	66.8 Å²	66.8	37%	0.372	35%	0.351	S	S	.	.			trans	-63.3	150.9	178.3	-58.2	-177.8	0	0	0	111.7	K101 I109 G112	K101-L114 HydrophobicContact CB-CD1 4.44Å; K101-L114 HydrophobicContact CB-CD2 4.19Å; K101-L114 HydrophobicContact CD-CD1 4.05Å; K101-L114 HydrophobicContact CG-CD1 4.34Å; I109-L114 HydrophobicContact CB-CD2 4.43Å; I109-L114 HydrophobicContact CG1-CD2 4.22Å; I109-L114 HydrophobicContact CG2-CD2 4.06Å; G112-L114 PolarHBondContact O-N 2.85Å
115	H	85.3	Confident	85.3	Confident	62 Å²	62	61.3 Å²	61.3	29%	0.287	33%	0.327	S	S	.	.	S	Bend	trans	-112.5	6.7	173.1	-71.2	50.6	0	0	0	112	Y102 K104 K113	Y102-H115 HydrophobicContact CD2-CB 3.91Å; Y102-H115 HydrophobicContact CE2-CB 3.61Å; Y102-H115 WeakPolarHBondContact CE2-O 3.38Å; Y102-H115 PolarHBondContact O-N 2.94Å; Y102-H115 PolarHBondContact OH-O 3.5Å; K104-H115 WeakPolarHBondContact CE-NE2 3.32Å; K104-H115 WeakPolarHBondContact CG-NE2 3.4Å; K113-H115 PolarHBondContact O-ND1 3.43Å
116	G	87.8	Confident	84.8	Confident	22 Å²	22	59.7 Å²	59.7	23%	0.227	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.8	156.8	178.8	0	0	0	0	0	112.1	Y102	Y102-G116 PolarHBondContact N-O 3.38Å
117	S	91.5	Very high	84.6	Confident	59 Å²	59	57.7 Å²	57.7	41%	0.413	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	138.7	177.5	-173.6	0	0	0	0	107.5	I99	I99-S117 WeakPolarHBondContact CG2-OG 3.49Å
118	I	91.3	Very high	84.4	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	124.6	-173	-58.5	158	0	0	0	107.7	I99 L100 Y102 V120 L136 T138 Y143	I99-I118 CarbonylContact C-O 3.54Å; I99-I118 WeakPolarHBondContact CA-O 3.29Å; L100-I118 HydrophobicContact CB-CB 4.22Å; L100-I118 HydrophobicContact CD2-CD1 4.06Å; L100-I118 HydrophobicContact CG-CD1 4.42Å; L100-I118 PolarHBondContact N-O 2.87Å; L100-I118 PolarHBondContact O-N 2.74Å; Y102-I118 HydrophobicContact CE1-CD1 4.41Å; I118-V120 HydrophobicContact CG2-CG2 4.47Å; I118-V120 PolarHBondContact O-N 2.96Å; I118-L136 HydrophobicContact CD1-CD1 4.5Å; I118-L136 HydrophobicContact CG2-CD1 4.3Å; I118-T138 HydrophobicContact CG2-CG2 3.79Å; I118-Y143 HydrophobicContact CD1-CD1 3.4Å; I118-Y143 VanDerWaalsContact CD1-CD1 3.4Å; I118-Y143 HydrophobicContact CD1-CD2 4.14Å; I118-Y143 HydrophobicContact CD1-CE1 3.82Å; I118-Y143 HydrophobicContact CD1-CE2 4.45Å; I118-Y143 HydrophobicContact CD1-CG 3.63Å; I118-Y143 HydrophobicContact CG1-CD1 3.82Å; I118-Y143 HydrophobicContact CG1-CD2 4.13Å; I118-Y143 HydrophobicContact CG1-CE1 3.7Å; I118-Y143 HydrophobicContact CG1-CE2 3.98Å; I118-Y143 HydrophobicContact CG1-CG 4.07Å
119	D	89.9	Confident	84.2	Confident	31 Å²	31	58 Å²	58	17%	0.166	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	104	169.1	-167.4	-47.6	0	0	0	109.2	I99 G121 L122 S123 R167	I99-D119 HydrophobicContact CD1-CB 3.96Å; I99-D119 WeakPolarHBondContact CD1-OD2 3.31Å; D119-G121 PolarHBondContact O-N 3.06Å; D119-G121 WeakPolarHBondContact OD1-CA 3.41Å; D119-G121 PolarHBondContact OD1-N 2.79Å; D119-L122 HydrophobicContact CB-CB 4.33Å; D119-L122 HydrophobicContact CB-CD1 4.33Å; D119-L122 HydrophobicContact CB-CG 4.45Å; D119-L122 PolarHBondContact O-N 3.23Å; D119-L122 PolarHBondContact OD1-N 3.12Å; D119-L122 VanDerWaalsContact OD1-N 3.13Å; D119-S123 PolarHBondContact O-N 3.12Å; D119-S123 PolarHBondContact O-OG 3.34Å; D119-R167 VanDerWaalsContact OD1-CG 3.3Å; D119-R167 WeakPolarHBondContact OD1-CG 3.26Å; D119-R167 IonicContact OD1-NE 2.62Å; D119-R167 IonicContact OD2-CZ 2.7Å; D119-R167 IonicContact OD2-NE 3.56Å; D119-R167 PolarHBondContact OD2-NE 3.36Å; D119-R167 IonicContact OD2-NH2 3.92Å; D119-R167 PolarHBondContact OD2-NH2 3.29Å
120	V	86.5	Confident	83.8	Confident	0 Å²	0	63.7 Å²	63.7	0%	0	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-20	-176.1	-166.1	0	0	0	0	111.2	L95 G98 L100 I118 M125 L136 L160 R164	L95-V120 HydrophobicContact CD1-CG2 4.02Å; G98-V120 WeakPolarHBondContact O-CB 3.35Å; G98-V120 WeakPolarHBondContact O-CG2 3.26Å; G98-V120 PolarHBondContact O-N 3.25Å; L100-V120 HydrophobicContact CB-CG2 3.62Å; I118-V120 HydrophobicContact CG2-CG2 4.47Å; I118-V120 PolarHBondContact O-N 2.96Å; V120-M125 HydrophobicContact CG1-CE 3.97Å; V120-M125 HydrophobicContact CG1-SD 4.47Å; V120-L136 HydrophobicContact CG1-CD2 3.96Å; V120-L160 HydrophobicContact CG1-CD2 3.99Å; V120-L160 HydrophobicContact CG2-CD2 4.05Å; V120-R164 HydrophobicContact CG1-CB 4.06Å; V120-R164 VanDerWaalsContact O-CD 3.24Å; V120-R164 WeakPolarHBondContact O-CD 3.25Å; V120-R164 WeakPolarHBondContact O-CG 3.44Å; V120-R164 PolarHBondContact O-NE 2.8Å
121	G	80.1	Confident	83.7	Confident	3 Å²	3	57.3 Å²	57.3	3%	0.031	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-44.4	174.3	0	0	0	0	0	112.6	D119 S123 Q168	D119-G121 PolarHBondContact O-N 3.06Å; D119-G121 WeakPolarHBondContact OD1-CA 3.41Å; D119-G121 PolarHBondContact OD1-N 2.79Å; G121-S123 VanDerWaalsContact C-N 3.34Å; G121-Q168 VanDerWaalsContact O-CG 3.26Å; G121-Q168 WeakPolarHBondContact O-CG 3.38Å; G121-Q168 PolarHBondContact O-NE2 2.83Å
122	L	79.5	Confident	84.1	Confident	126 Å²	126	51.5 Å²	51.5	66%	0.66	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-19.4	174.7	-63.3	175.8	0	0	0	113	D119 I171	D119-L122 HydrophobicContact CB-CB 4.33Å; D119-L122 HydrophobicContact CB-CD1 4.33Å; D119-L122 HydrophobicContact CB-CG 4.45Å; D119-L122 PolarHBondContact O-N 3.23Å; D119-L122 PolarHBondContact OD1-N 3.12Å; D119-L122 VanDerWaalsContact OD1-N 3.13Å; L122-I171 HydrophobicContact CD2-CD1 3.88Å; L122-I171 HydrophobicContact CG-CD1 3.94Å
123	S	74.3	Confident	84.4	Confident	1 Å²	1	52.4 Å²	52.4	1%	0.007	26%	0.259	C	S	.	.	S	Bend	trans	-70	145.2	179.8	-58.3	0	0	0	0	113.6	D119 G121 D137 R164	D119-S123 PolarHBondContact O-N 3.12Å; D119-S123 PolarHBondContact O-OG 3.34Å; G121-S123 VanDerWaalsContact C-N 3.34Å; S123-D137 CarbonylContact C-O 3.56Å; S123-D137 WeakPolarHBondContact CA-O 3.4Å; S123-R164 PolarHBondContact O-NE 3.17Å; S123-R164 PolarHBondContact O-NH2 3.36Å
124	V	76.6	Confident	84.7	Confident	81 Å²	81	45.6 Å²	45.6	49%	0.491	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	134.9	154.1	-179.9	0	0	0	0	108	L136 D137	V124-L136 WeakPolarHBondContact O-CA 3.44Å; V124-D137 HydrophobicContact CB-CB 4.31Å; V124-D137 PolarHBondContact N-O 2.87Å; V124-D137 PolarHBondContact O-N 2.87Å
125	M	83.5	Confident	84.7	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	124.3	-178.8	-176.4	161.3	37.2	0	0	111.1	I57 V120 I134 L136 L160 R164	I57-M125 HydrophobicContact CD1-CB 3.91Å; I57-M125 HydrophobicContact CD1-CE 3.43Å; I57-M125 VanDerWaalsContact CD1-CE 3.43Å; I57-M125 HydrophobicContact CD1-CG 3.46Å; I57-M125 VanDerWaalsContact CD1-CG 3.46Å; I57-M125 HydrophobicContact CD1-SD 3.72Å; I57-M125 HydrophobicContact CG1-CB 4.42Å; I57-M125 HydrophobicContact CG1-CG 4.3Å; I57-M125 PolarHBondContact N-O 2.77Å; V120-M125 HydrophobicContact CG1-CE 3.97Å; V120-M125 HydrophobicContact CG1-SD 4.47Å; M125-I134 HydrophobicContact CG-CG2 3.94Å; M125-I134 HydrophobicContact SD-CG2 3.85Å; M125-L136 HydrophobicContact CB-CD2 3.69Å; M125-L136 HydrophobicContact CG-CD2 3.59Å; M125-L136 HydrophobicContact SD-CD2 3.59Å; M125-L136 VanDerWaalsContact SD-CD2 3.59Å; M125-L160 HydrophobicContact CE-CB 3.8Å; M125-L160 HydrophobicContact SD-CB 3.78Å; M125-L160 HydrophobicContact SD-CD1 4.3Å; M125-R164 HydrophobicContact CE-CB 4.15Å
126	S	78.2	Confident	84.7	Confident	26 Å²	26	40.1 Å²	40.1	18%	0.182	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	134.8	174.8	-175.2	0	0	0	0	110.7	E55 D135	E55-S126 WeakPolarHBondContact O-CA 3.37Å; S126-D135 PolarHBondContact N-O 2.7Å; S126-D135 PolarHBondContact O-N 3.08Å
127	I	85.2	Confident	84.4	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	129.5	178.8	-61.8	161.4	0	0	0	109.4	E55 I57 K129 F153 V157	E55-I127 PolarHBondContact N-O 3Å; E55-I127 VanDerWaalsContact N-O 3.07Å; E55-I127 PolarHBondContact O-N 2.71Å; I57-I127 HydrophobicContact CD1-CD1 3.38Å; I57-I127 HydrophobicContact CD1-CG1 3.77Å; I57-I127 HydrophobicContact CG1-CD1 3.57Å; I57-I127 HydrophobicContact CG1-CG1 4.02Å; I127-K129 HydrophobicContact CG2-CG 3.69Å; I127-F153 HydrophobicContact CG2-CE1 4.14Å; I127-F153 HydrophobicContact CG2-CZ 3.69Å; I127-V157 HydrophobicContact CD1-CG1 3.53Å; I127-V157 HydrophobicContact CD1-CG2 4.34Å; I127-V157 HydrophobicContact CG1-CG1 4.31Å; I127-V157 HydrophobicContact CG1-CG2 4.24Å; I127-V157 HydrophobicContact CG2-CG2 4.08Å
128	K	85.1	Confident	83.5	Confident	43 Å²	43	41 Å²	41	19%	0.187	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	75.2	179.6	-67.7	-155.7	174.5	-118.1	0	110.5	W54 A131 R132 R133	W54-K128 HydrophobicContact CD2-CB 4.43Å; W54-K128 HydrophobicContact CD2-CD 3.89Å; W54-K128 HydrophobicContact CD2-CG 3.87Å; W54-K128 VanDerWaalsContact CE3-CA 3.45Å; W54-K128 HydrophobicContact CE3-CB 3.49Å; W54-K128 VanDerWaalsContact CE3-CB 3.49Å; W54-K128 HydrophobicContact CE3-CD 3.78Å; W54-K128 HydrophobicContact CE3-CG 3.39Å; W54-K128 HydrophobicContact CH2-CB 4.12Å; W54-K128 HydrophobicContact CH2-CD 3.96Å; W54-K128 HydrophobicContact CH2-CG 4.31Å; W54-K128 HydrophobicContact CZ2-CD 4.12Å; W54-K128 HydrophobicContact CZ3-CB 3.3Å; W54-K128 HydrophobicContact CZ3-CD 3.82Å; W54-K128 HydrophobicContact CZ3-CG 3.65Å; K128-A131 HydrophobicContact CB-CB 4.32Å; K128-A131 CarbonylContact O-C 3.44Å; K128-A131 PolarHBondContact O-N 3.15Å; K128-A131 VanDerWaalsContact O-N 3.11Å; K128-R132 PolarHBondContact O-N 3.11Å; K128-R133 WeakPolarHBondContact CA-O 3.47Å; K128-R133 HydrophobicContact CB-CB 3.99Å; K128-R133 WeakPolarHBondContact CB-O 3.24Å; K128-R133 PolarHBondContact N-O 2.96Å; K128-R133 PolarHBondContact O-N 2.66Å; K128-R133 VanDerWaalsContact O-N 3.11Å
129	K	82.3	Confident	81.9	Confident	88 Å²	88	48 Å²	48	38%	0.383	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-58.8	-168.3	-64.4	-178.4	-175.9	165.6	0	113.1	E55 I127 A131 R132 F153	E55-K129 WeakPolarHBondContact OE2-CE 3.33Å; E55-K129 IonicContact OE2-NZ 2.95Å; E55-K129 PolarHBondContact OE2-NZ 3.36Å; I127-K129 HydrophobicContact CG2-CG 3.69Å; K129-A131 PolarHBondContact O-N 3.4Å; K129-A131 VanDerWaalsContact O-N 3.16Å; K129-R132 PolarHBondContact O-N 2.91Å; K129-F153 HydrophobicContact CB-CE1 4.48Å; K129-F153 HydrophobicContact CG-CE1 4.39Å
130	R	78	Confident	80.7	Confident	155 Å²	155	54 Å²	54	59%	0.585	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-36	178.2	-70.2	177.8	169.9	-122	-11.5	112.9	E50 A51	E50-R130 PolarHBondContact O-NE 3.38Å; E50-R130 PolarHBondContact O-NH2 3.19Å; A51-R130 WeakPolarHBondContact O-CD 3.15Å; A51-R130 PolarHBondContact O-NE 2.78Å; A51-R130 PolarHBondContact O-NH1 3.03Å
131	A	80.9	Confident	80.2	Confident	27 Å²	27	57.5 Å²	57.5	22%	0.223	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-6.4	179.2	0	0	0	0	0	114.4	W54 K128 K129 R133 K146	W54-A131 HydrophobicContact CH2-CB 4.14Å; W54-A131 HydrophobicContact CZ3-CB 4.27Å; K128-A131 HydrophobicContact CB-CB 4.32Å; K128-A131 CarbonylContact O-C 3.44Å; K128-A131 PolarHBondContact O-N 3.15Å; K128-A131 VanDerWaalsContact O-N 3.11Å; K129-A131 PolarHBondContact O-N 3.4Å; K129-A131 VanDerWaalsContact O-N 3.16Å; A131-R133 HydrophobicContact CB-CB 4.29Å; A131-R133 PolarHBondContact O-N 2.7Å; A131-K146 VanDerWaalsContact O-CE 3.29Å; A131-K146 WeakPolarHBondContact O-CE 3.5Å
132	R	92.3	Very high	80.3	Confident	84 Å²	84	61.5 Å²	61.5	32%	0.317	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.4	44	-167.5	-67.3	174.6	-69.8	-171.7	4.1	112.9	K128 K129 K146 V147 K148 Q150 F153	K128-R132 PolarHBondContact O-N 3.11Å; K129-R132 PolarHBondContact O-N 2.91Å; R132-K146 WeakPolarHBondContact O-CA 3.49Å; R132-K146 WeakPolarHBondContact O-CG 3.39Å; R132-V147 WeakPolarHBondContact CB-O 3.32Å; R132-V147 PolarHBondContact O-N 2.91Å; R132-K148 PolarHBondContact NH1-O 2.9Å; R132-Q150 VanDerWaalsContact CD-OE1 3.24Å; R132-Q150 VanDerWaalsContact CG-OE1 3.27Å; R132-F153 VanDerWaalsContact C-CD2 3.45Å; R132-F153 VanDerWaalsContact CA-CE2 3.49Å; R132-F153 HydrophobicContact CB-CB 4.24Å; R132-F153 HydrophobicContact CB-CD1 4.47Å; R132-F153 HydrophobicContact CB-CD2 3.84Å; R132-F153 HydrophobicContact CB-CE2 4.28Å; R132-F153 HydrophobicContact CB-CG 3.93Å; R132-F153 HydrophobicContact CG-CB 4.14Å; R132-F153 HydrophobicContact CG-CD1 4.15Å; R132-F153 HydrophobicContact CG-CD2 4.39Å; R132-F153 HydrophobicContact CG-CG 3.97Å; R132-F153 WeakPolarHBondContact O-CD2 3.5Å
133	R	90.7	Very high	80.6	Confident	76 Å²	76	56.8 Å²	56.8	29%	0.287	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	143.4	179.4	-170.3	-160	-56.8	-174.1	4	110.5	W88 K128 A131 D135 L145 F153	W88-R133 HydrophobicContact CH2-CG 4.05Å; K128-R133 WeakPolarHBondContact CA-O 3.47Å; K128-R133 HydrophobicContact CB-CB 3.99Å; K128-R133 WeakPolarHBondContact CB-O 3.24Å; K128-R133 PolarHBondContact N-O 2.96Å; K128-R133 PolarHBondContact O-N 2.66Å; K128-R133 VanDerWaalsContact O-N 3.11Å; A131-R133 HydrophobicContact CB-CB 4.29Å; A131-R133 PolarHBondContact O-N 2.7Å; R133-D135 WeakPolarHBondContact CD-OD1 3.45Å; R133-D135 VanDerWaalsContact CD-OD2 3.3Å; R133-D135 WeakPolarHBondContact CD-OD2 3.43Å; R133-L145 CarbonylContact C-O 3.5Å; R133-L145 WeakPolarHBondContact CA-O 3.42Å; R133-L145 WeakPolarHBondContact CG-O 3.24Å; R133-F153 WeakPolarHBondContact O-CE2 3.2Å
134	I	92.1	Very high	81.4	Confident	0 Å²	0	59 Å²	59	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	124.8	170.6	-46.1	179.9	0	0	0	105.6	M125 L145 F153 W156 V157 L160	M125-I134 HydrophobicContact CG-CG2 3.94Å; M125-I134 HydrophobicContact SD-CG2 3.85Å; I134-L145 HydrophobicContact CB-CB 4.43Å; I134-L145 PolarHBondContact N-O 2.89Å; I134-L145 WeakPolarHBondContact O-CA 3.44Å; I134-L145 WeakPolarHBondContact O-CB 3.28Å; I134-L145 PolarHBondContact O-N 3.04Å; I134-F153 HydrophobicContact CD1-CE2 4.26Å; I134-F153 HydrophobicContact CG1-CD2 4.2Å; I134-F153 HydrophobicContact CG1-CE2 3.57Å; I134-F153 HydrophobicContact CG1-CZ 4.38Å; I134-W156 HydrophobicContact CD1-CB 4.22Å; I134-V157 HydrophobicContact CD1-CG2 3.7Å; I134-V157 HydrophobicContact CG1-CG2 4.08Å; I134-L160 HydrophobicContact CD1-CD1 3.61Å; I134-L160 HydrophobicContact CG2-CD1 4.34Å
135	D	87.5	Confident	82.2	Confident	18 Å²	18	55.1 Å²	55.1	10%	0.096	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.5	178	-65	-45.6	0	0	0	107.5	S126 R133 H144	S126-D135 PolarHBondContact N-O 2.7Å; S126-D135 PolarHBondContact O-N 3.08Å; R133-D135 WeakPolarHBondContact CD-OD1 3.45Å; R133-D135 VanDerWaalsContact CD-OD2 3.3Å; R133-D135 WeakPolarHBondContact CD-OD2 3.43Å; D135-H144 WeakPolarHBondContact OD1-CA 3.25Å; D135-H144 WeakPolarHBondContact OD1-CB 3.25Å; D135-H144 IonicContact OD1-CE1 2.86Å; D135-H144 IonicContact OD1-CG 3.35Å; D135-H144 IonicContact OD1-ND1 3.66Å; D135-H144 PolarHBondContact OD1-ND1 3.31Å
136	L	85.7	Confident	82.7	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	128.5	176.9	-71	169.7	0	0	0	109.1	L100 I118 V120 V124 M125 I142 Y143 L145	L100-L136 HydrophobicContact CD2-CD1 3.62Å; I118-L136 HydrophobicContact CD1-CD1 4.5Å; I118-L136 HydrophobicContact CG2-CD1 4.3Å; V120-L136 HydrophobicContact CG1-CD2 3.96Å; V124-L136 WeakPolarHBondContact O-CA 3.44Å; M125-L136 HydrophobicContact CB-CD2 3.69Å; M125-L136 HydrophobicContact CG-CD2 3.59Å; M125-L136 HydrophobicContact SD-CD2 3.59Å; M125-L136 VanDerWaalsContact SD-CD2 3.59Å; L136-I142 CarbonylContact O-C 3.56Å; L136-I142 WeakPolarHBondContact O-CA 3.22Å; L136-Y143 PolarHBondContact N-O 2.71Å; L136-Y143 PolarHBondContact O-N 3.11Å; L136-L145 HydrophobicContact CD1-CD1 4Å
137	D	82	Confident	83.5	Confident	58 Å²	58	57.7 Å²	57.7	31%	0.31	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.5	-179.9	-172.5	-12.2	0	0	0	109.8	S123 V124 E139 I142	S123-D137 CarbonylContact C-O 3.56Å; S123-D137 WeakPolarHBondContact CA-O 3.4Å; V124-D137 HydrophobicContact CB-CB 4.31Å; V124-D137 PolarHBondContact N-O 2.87Å; V124-D137 PolarHBondContact O-N 2.87Å; D137-E139 PolarHBondContact OD1-N 3.08Å; D137-I142 HydrophobicContact CB-CG1 4.19Å
138	T	72.7	Confident	83.5	Confident	40 Å²	40	65.7 Å²	65.7	25%	0.245	30%	0.298	C	S	.	.			trans	-110.9	29.2	179.4	72.5	0	0	0	0	112.6	I118 E140 H141 Y143	I118-T138 HydrophobicContact CG2-CG2 3.79Å; T138-E140 PolarHBondContact O-N 2.83Å; T138-H141 PolarHBondContact N-O 3.07Å; T138-H141 PolarHBondContact OG1-O 3.15Å; T138-Y143 HydrophobicContact CG2-CD2 4.11Å; T138-Y143 HydrophobicContact CG2-CE2 3.74Å
139	E	57.3	Low	83.8	Confident	151 Å²	151	65.5 Å²	65.5	71%	0.706	30%	0.303	S	S	*	.	S	Bend	trans	69.3	-51.7	-177.3	-175.8	155.8	-125.4	0	0	114.2	D137 K689	D137-E139 PolarHBondContact OD1-N 3.08Å; E139-K689 IonicContact OE1-NZ 3.7Å; E139-K689 PolarHBondContact OE1-NZ 3.31Å
140	E	64.8	Low	84	Confident	156 Å²	156	64.8 Å²	64.8	73%	0.729	30%	0.301	S	S	*	.	S	Bend	trans	-74.6	-31.2	170.3	-57.3	177.4	171.6	0	0	113.2	T138	T138-E140 PolarHBondContact O-N 2.83Å
141	H	76.3	Confident	84.5	Confident	74 Å²	74	63.1 Å²	63.1	34%	0.343	30%	0.303	S	S	.	.			trans	-147.1	118.9	-156.8	-77.1	103.7	0	0	0	113.1	T138 Y143	T138-H141 PolarHBondContact N-O 3.07Å; T138-H141 PolarHBondContact OG1-O 3.15Å; H141-Y143 HydrophobicContact CB-CD2 4.15Å; H141-Y143 HydrophobicContact CB-CE2 3.38Å; H141-Y143 VanDerWaalsContact O-CD2 3.24Å; H141-Y143 WeakPolarHBondContact O-CD2 3.46Å; H141-Y143 WeakPolarHBondContact O-CE2 3.41Å
142	I	80.6	Confident	84.9	Confident	86 Å²	86	66.1 Å²	66.1	44%	0.441	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	119.2	169.5	-53.2	178.6	0	0	0	110.7	L136 D137	L136-I142 CarbonylContact O-C 3.56Å; L136-I142 WeakPolarHBondContact O-CA 3.22Å; D137-I142 HydrophobicContact CB-CG1 4.19Å
143	Y	86.4	Confident	84.9	Confident	28 Å²	28	62.1 Å²	62.1	11%	0.11	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	91.3	179.1	-61	-102.7	0	0	0	110.3	K79 Y102 I118 L136 T138 H141 L145	K79-Y143 VanDerWaalsContact CE-CD1 3.41Å; Y102-Y143 HydrophobicContact CE1-CD1 4.34Å; Y102-Y143 HydrophobicContact CE1-CE1 4.19Å; I118-Y143 HydrophobicContact CD1-CD1 3.4Å; I118-Y143 VanDerWaalsContact CD1-CD1 3.4Å; I118-Y143 HydrophobicContact CD1-CD2 4.14Å; I118-Y143 HydrophobicContact CD1-CE1 3.82Å; I118-Y143 HydrophobicContact CD1-CE2 4.45Å; I118-Y143 HydrophobicContact CD1-CG 3.63Å; I118-Y143 HydrophobicContact CG1-CD1 3.82Å; I118-Y143 HydrophobicContact CG1-CD2 4.13Å; I118-Y143 HydrophobicContact CG1-CE1 3.7Å; I118-Y143 HydrophobicContact CG1-CE2 3.98Å; I118-Y143 HydrophobicContact CG1-CG 4.07Å; L136-Y143 PolarHBondContact N-O 2.71Å; L136-Y143 PolarHBondContact O-N 3.11Å; T138-Y143 HydrophobicContact CG2-CD2 4.11Å; T138-Y143 HydrophobicContact CG2-CE2 3.74Å; H141-Y143 HydrophobicContact CB-CD2 4.15Å; H141-Y143 HydrophobicContact CB-CE2 3.38Å; H141-Y143 VanDerWaalsContact O-CD2 3.24Å; H141-Y143 WeakPolarHBondContact O-CD2 3.46Å; H141-Y143 WeakPolarHBondContact O-CE2 3.41Å; Y143-L145 PolarHBondContact O-N 3.4Å
144	H	91.5	Very high	84.9	Confident	47 Å²	47	61.9 Å²	61.9	22%	0.218	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	120.6	171.8	-48.3	-74.8	0	0	0	111.4	K80 W88 D135	K80-H144 HydrophobicContact CB-CB 3.8Å; K80-H144 HydrophobicContact CD-CB 4.32Å; K80-H144 PolarHBondContact N-O 2.97Å; W88-H144 HydrophobicContact CH2-CB 3.85Å; W88-H144 HydrophobicContact CZ3-CB 4.24Å; W88-H144 WeakPolarHBondContact CZ3-O 3.43Å; D135-H144 WeakPolarHBondContact OD1-CA 3.25Å; D135-H144 WeakPolarHBondContact OD1-CB 3.25Å; D135-H144 IonicContact OD1-CE1 2.86Å; D135-H144 IonicContact OD1-CG 3.35Å; D135-H144 IonicContact OD1-ND1 3.66Å; D135-H144 PolarHBondContact OD1-ND1 3.31Å
145	L	94.1	Very high	84.8	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.5	178.5	-52.6	-179.6	0	0	0	110	M77 L78 K79 F93 L100 R133 I134 L136 Y143	M77-L145 HydrophobicContact CE-CD1 3.89Å; M77-L145 HydrophobicContact SD-CB 4.47Å; M77-L145 HydrophobicContact SD-CD1 4.34Å; L78-L145 CarbonylContact O-C 3.59Å; L78-L145 WeakPolarHBondContact O-CA 3.47Å; K79-L145 HydrophobicContact CB-CD2 4.3Å; K79-L145 HydrophobicContact CG-CD2 4.06Å; F93-L145 HydrophobicContact CE1-CD1 4.37Å; F93-L145 HydrophobicContact CE1-CD2 3.82Å; F93-L145 HydrophobicContact CE2-CD2 4.2Å; F93-L145 HydrophobicContact CZ-CD2 3.38Å; L100-L145 HydrophobicContact CD2-CD1 3.86Å; R133-L145 CarbonylContact C-O 3.5Å; R133-L145 WeakPolarHBondContact CA-O 3.42Å; R133-L145 WeakPolarHBondContact CG-O 3.24Å; I134-L145 HydrophobicContact CB-CB 4.43Å; I134-L145 PolarHBondContact N-O 2.89Å; I134-L145 WeakPolarHBondContact O-CA 3.44Å; I134-L145 WeakPolarHBondContact O-CB 3.28Å; I134-L145 PolarHBondContact O-N 3.04Å; L136-L145 HydrophobicContact CD1-CD1 4Å; Y143-L145 PolarHBondContact O-N 3.4Å
146	K	93.3	Very high	85.1	Confident	74 Å²	74	63.1 Å²	63.1	32%	0.322	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	139.1	177.1	-175.4	173.3	-178.1	173.7	0	111.6	L78 W88 A131 R132	L78-K146 HydrophobicContact CB-CB 4.31Å; L78-K146 VanDerWaalsContact CB-O 3.29Å; L78-K146 WeakPolarHBondContact CB-O 3.46Å; L78-K146 PolarHBondContact N-O 3.29Å; L78-K146 PolarHBondContact O-N 2.95Å; W88-K146 HydrophobicContact CD2-CB 4.27Å; W88-K146 HydrophobicContact CE3-CB 3.69Å; W88-K146 HydrophobicContact CH2-CB 3.79Å; W88-K146 HydrophobicContact CZ2-CB 4.36Å; W88-K146 HydrophobicContact CZ2-CD 4.4Å; W88-K146 HydrophobicContact CZ3-CB 3.43Å; W88-K146 VanDerWaalsContact CZ3-CB 3.43Å; A131-K146 VanDerWaalsContact O-CE 3.29Å; A131-K146 WeakPolarHBondContact O-CE 3.5Å; R132-K146 WeakPolarHBondContact O-CA 3.49Å; R132-K146 WeakPolarHBondContact O-CG 3.39Å
147	V	94.1	Very high	85.4	Confident	5 Å²	5	63.7 Å²	63.7	3%	0.03	32%	0.32	C	S	.	.			trans	-114.3	145.3	-178.2	-173.5	0	0	0	0	109.9	M77 R132 I152 F153	M77-V147 HydrophobicContact CG-CG2 4.04Å; M77-V147 HydrophobicContact SD-CG2 4.01Å; R132-V147 WeakPolarHBondContact CB-O 3.32Å; R132-V147 PolarHBondContact O-N 2.91Å; V147-I152 HydrophobicContact CG1-CB 3.93Å; V147-I152 HydrophobicContact CG1-CG2 3.71Å; V147-F153 HydrophobicContact CB-CB 3.91Å; V147-F153 HydrophobicContact CB-CD2 4.1Å; V147-F153 HydrophobicContact CG1-CB 4.06Å; V147-F153 HydrophobicContact CG2-CB 4.43Å; V147-F153 HydrophobicContact CG2-CD2 4.07Å
148	K	86.8	Confident	85.8	Confident	169 Å²	169	64.6 Å²	64.6	74%	0.735	33%	0.331	S	S	*	.	S	Bend	trans	-90.6	-25.8	-174.5	-77.2	-163.1	174.9	-168.1	0	115.2	L78 R132	L78-K148 HydrophobicContact CD1-CG 4.11Å; R132-K148 PolarHBondContact NH1-O 2.9Å
149	S	90.6	Very high	86.7	Confident	40 Å²	40	64.7 Å²	64.7	28%	0.28	33%	0.328	S	S	.	.	S	Bend	trans	-105.5	157.4	171.2	-161.2	0	0	0	0	111	D151 F153	S149-D151 PolarHBondContact OG-OD2 3.12Å; S149-F153 VanDerWaalsContact O-CB 3.31Å; S149-F153 WeakPolarHBondContact O-CB 3.29Å; S149-F153 PolarHBondContact O-N 3.07Å
150	Q	87.1	Confident	88.3	Confident	72 Å²	72	57.5 Å²	57.5	34%	0.336	29%	0.294	S	S	.	.	H	α-helix	trans	-74.6	-49.4	175.7	-172.7	59.9	41.8	0	0	111.2	R132 I152 F153 D154	R132-Q150 VanDerWaalsContact CD-OE1 3.24Å; R132-Q150 VanDerWaalsContact CG-OE1 3.27Å; Q150-I152 VanDerWaalsContact C-N 3.28Å; Q150-I152 PolarHBondContact O-N 3.49Å; Q150-F153 CarbonylContact O-C 3.49Å; Q150-F153 WeakPolarHBondContact O-CA 3.41Å; Q150-F153 VanDerWaalsContact O-CB 3.27Å; Q150-F153 WeakPolarHBondContact O-CB 3.36Å; Q150-F153 PolarHBondContact O-N 2.92Å; Q150-D154 WeakPolarHBondContact CG-OD2 3.42Å; Q150-D154 VanDerWaalsContact NE2-CG 3.31Å; Q150-D154 PolarHBondContact NE2-OD1 3.05Å; Q150-D154 PolarHBondContact NE2-OD2 2.88Å; Q150-D154 PolarHBondContact O-N 3.44Å
151	D	88.2	Confident	89.4	Confident	120 Å²	120	54.2 Å²	54.2	64%	0.642	28%	0.275	S	S	*	.	H	α-helix	trans	-61.1	-39.7	-177.3	-20.9	-82.3	0	0	0	111.4	S149 A155	S149-D151 PolarHBondContact OG-OD2 3.12Å; D151-A155 VanDerWaalsContact O-CB 3.3Å; D151-A155 WeakPolarHBondContact O-CB 3.31Å; D151-A155 PolarHBondContact O-N 3.45Å
152	I	89.7	Confident	89.9	Confident	90 Å²	90	54.2 Å²	54.2	46%	0.462	28%	0.275	S	S	.	.	H	α-helix	trans	-68.8	-35.3	174.9	-56.4	176.4	0	0	0	110.6	V147 Q150 W156	V147-I152 HydrophobicContact CG1-CB 3.93Å; V147-I152 HydrophobicContact CG1-CG2 3.71Å; Q150-I152 VanDerWaalsContact C-N 3.28Å; Q150-I152 PolarHBondContact O-N 3.49Å; I152-W156 VanDerWaalsContact O-CD1 3.22Å; I152-W156 PolarHBondContact O-N 2.98Å
153	F	92.3	Very high	90.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.1	-48.1	176.4	172.5	-100.9	0	0	0	111.3	I127 K129 R132 R133 I134 V147 S149 Q150 A155 W156 V157	I127-F153 HydrophobicContact CG2-CE1 4.14Å; I127-F153 HydrophobicContact CG2-CZ 3.69Å; K129-F153 HydrophobicContact CB-CE1 4.48Å; K129-F153 HydrophobicContact CG-CE1 4.39Å; R132-F153 VanDerWaalsContact C-CD2 3.45Å; R132-F153 VanDerWaalsContact CA-CE2 3.49Å; R132-F153 HydrophobicContact CB-CB 4.24Å; R132-F153 HydrophobicContact CB-CD1 4.47Å; R132-F153 HydrophobicContact CB-CD2 3.84Å; R132-F153 HydrophobicContact CB-CE2 4.28Å; R132-F153 HydrophobicContact CB-CG 3.93Å; R132-F153 HydrophobicContact CG-CB 4.14Å; R132-F153 HydrophobicContact CG-CD1 4.15Å; R132-F153 HydrophobicContact CG-CD2 4.39Å; R132-F153 HydrophobicContact CG-CG 3.97Å; R132-F153 WeakPolarHBondContact O-CD2 3.5Å; R133-F153 WeakPolarHBondContact O-CE2 3.2Å; I134-F153 HydrophobicContact CD1-CE2 4.26Å; I134-F153 HydrophobicContact CG1-CD2 4.2Å; I134-F153 HydrophobicContact CG1-CE2 3.57Å; I134-F153 HydrophobicContact CG1-CZ 4.38Å; V147-F153 HydrophobicContact CB-CB 3.91Å; V147-F153 HydrophobicContact CB-CD2 4.1Å; V147-F153 HydrophobicContact CG1-CB 4.06Å; V147-F153 HydrophobicContact CG2-CB 4.43Å; V147-F153 HydrophobicContact CG2-CD2 4.07Å; S149-F153 VanDerWaalsContact O-CB 3.31Å; S149-F153 WeakPolarHBondContact O-CB 3.29Å; S149-F153 PolarHBondContact O-N 3.07Å; Q150-F153 CarbonylContact O-C 3.49Å; Q150-F153 WeakPolarHBondContact O-CA 3.41Å; Q150-F153 VanDerWaalsContact O-CB 3.27Å; Q150-F153 WeakPolarHBondContact O-CB 3.36Å; Q150-F153 PolarHBondContact O-N 2.92Å; F153-A155 VanDerWaalsContact C-N 3.33Å; F153-A155 PolarHBondContact O-N 2.95Å; F153-W156 PolarHBondContact O-N 3.23Å; F153-V157 HydrophobicContact CD1-CG2 4.31Å; F153-V157 HydrophobicContact CD2-CG2 4.42Å; F153-V157 HydrophobicContact CE1-CG2 3.95Å; F153-V157 HydrophobicContact CE2-CG2 4.05Å; F153-V157 HydrophobicContact CZ-CG2 3.83Å; F153-V157 WeakPolarHBondContact O-CB 3.21Å; F153-V157 WeakPolarHBondContact O-CG2 3.44Å; F153-V157 PolarHBondContact O-N 3.19Å
154	D	89.8	Confident	90.2	Very high	71 Å²	71	49.8 Å²	49.8	38%	0.38	25%	0.252	S	S	.	.	H	α-helix	trans	-68.3	-33.2	-179.6	-63.4	-42.4	0	0	0	111.6	Q150 V157 S158	Q150-D154 WeakPolarHBondContact CG-OD2 3.42Å; Q150-D154 VanDerWaalsContact NE2-CG 3.31Å; Q150-D154 PolarHBondContact NE2-OD1 3.05Å; Q150-D154 PolarHBondContact NE2-OD2 2.88Å; Q150-D154 PolarHBondContact O-N 3.44Å; D154-V157 PolarHBondContact O-N 3.38Å; D154-S158 VanDerWaalsContact O-CB 3.29Å; D154-S158 WeakPolarHBondContact O-CB 3.48Å; D154-S158 PolarHBondContact O-N 3.2Å
155	A	89.7	Confident	89.8	Confident	41 Å²	41	49.7 Å²	49.7	34%	0.339	25%	0.253	S	S	.	.	H	α-helix	trans	-62.3	-47.6	169.4	0	0	0	0	0	112.6	D151 F153 S158 K159	D151-A155 VanDerWaalsContact O-CB 3.3Å; D151-A155 WeakPolarHBondContact O-CB 3.31Å; D151-A155 PolarHBondContact O-N 3.45Å; F153-A155 VanDerWaalsContact C-N 3.33Å; F153-A155 PolarHBondContact O-N 2.95Å; A155-S158 PolarHBondContact O-N 2.9Å; A155-K159 PolarHBondContact O-N 2.99Å
156	W	93.8	Very high	89.3	Confident	3 Å²	3	50.7 Å²	50.7	1%	0.011	26%	0.257	C	S	.	.	H	α-helix	trans	-61.9	-43	174.8	-89.1	103.4	0	0	0	112	H73 M77 F93 L95 L100 I134 I152 F153 K159 L160	H73-W156 AromaticContact CD2-CD2 3.62Å; H73-W156 AromaticContact CD2-CE2 3.65Å; H73-W156 AromaticContact CD2-CE3 3.68Å; H73-W156 AromaticContact CD2-CH2 3.8Å; H73-W156 AromaticContact CD2-CZ2 3.75Å; H73-W156 AromaticContact CD2-CZ3 3.77Å; H73-W156 AromaticContact NE2-CD2 3.78Å; H73-W156 AromaticContact NE2-CE2 3.6Å; H73-W156 AromaticContact NE2-CZ2 3.99Å; H73-W156 AromaticContact NE2-NE1 3.75Å; M77-W156 HydrophobicContact CE-CD2 3.7Å; M77-W156 HydrophobicContact CE-CE3 3.49Å; M77-W156 VanDerWaalsContact CE-CE3 3.49Å; M77-W156 HydrophobicContact CE-CG 4.5Å; M77-W156 HydrophobicContact CE-CH2 3.85Å; M77-W156 HydrophobicContact CE-CZ2 4.02Å; M77-W156 HydrophobicContact CE-CZ3 3.57Å; M77-W156 HydrophobicContact CG-CD2 4.22Å; M77-W156 HydrophobicContact CG-CG 4.41Å; M77-W156 HydrophobicContact CG-CZ2 4.34Å; M77-W156 HydrophobicContact SD-CB 4.38Å; M77-W156 HydrophobicContact SD-CD2 3.57Å; M77-W156 VanDerWaalsContact SD-CD2 3.57Å; M77-W156 HydrophobicContact SD-CE3 3.94Å; M77-W156 HydrophobicContact SD-CG 3.75Å; M77-W156 HydrophobicContact SD-CZ2 4.49Å; F93-W156 HydrophobicContact CB-CH2 3.73Å; F93-W156 HydrophobicContact CB-CZ2 4.21Å; F93-W156 HydrophobicContact CB-CZ3 4.42Å; L95-W156 HydrophobicContact CB-CZ3 3.98Å; L95-W156 HydrophobicContact CD2-CZ3 4.43Å; L100-W156 HydrophobicContact CD1-CH2 4.47Å; L100-W156 HydrophobicContact CD1-CZ3 3.89Å; I134-W156 HydrophobicContact CD1-CB 4.22Å; I152-W156 VanDerWaalsContact O-CD1 3.22Å; I152-W156 PolarHBondContact O-N 2.98Å; F153-W156 PolarHBondContact O-N 3.23Å; W156-K159 PolarHBondContact O-N 2.77Å; W156-L160 HydrophobicContact CE3-CD1 4.29Å; W156-L160 HydrophobicContact CE3-CG 4.37Å; W156-L160 VanDerWaalsContact O-CB 3.23Å; W156-L160 WeakPolarHBondContact O-CB 3.49Å; W156-L160 WeakPolarHBondContact O-CD1 3.32Å; W156-L160 VanDerWaalsContact O-CG 3.24Å; W156-L160 WeakPolarHBondContact O-CG 3.46Å; W156-L160 PolarHBondContact O-N 2.93Å
157	V	91.6	Very high	88.9	Confident	13 Å²	13	50.6 Å²	50.6	8%	0.079	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-46.6	175.7	162.9	0	0	0	0	111.2	I127 I134 F153 D154 L160 R161	I127-V157 HydrophobicContact CD1-CG1 3.53Å; I127-V157 HydrophobicContact CD1-CG2 4.34Å; I127-V157 HydrophobicContact CG1-CG1 4.31Å; I127-V157 HydrophobicContact CG1-CG2 4.24Å; I127-V157 HydrophobicContact CG2-CG2 4.08Å; I134-V157 HydrophobicContact CD1-CG2 3.7Å; I134-V157 HydrophobicContact CG1-CG2 4.08Å; F153-V157 HydrophobicContact CD1-CG2 4.31Å; F153-V157 HydrophobicContact CD2-CG2 4.42Å; F153-V157 HydrophobicContact CE1-CG2 3.95Å; F153-V157 HydrophobicContact CE2-CG2 4.05Å; F153-V157 HydrophobicContact CZ-CG2 3.83Å; F153-V157 WeakPolarHBondContact O-CB 3.21Å; F153-V157 WeakPolarHBondContact O-CG2 3.44Å; F153-V157 PolarHBondContact O-N 3.19Å; D154-V157 PolarHBondContact O-N 3.38Å; V157-L160 PolarHBondContact O-N 2.83Å; V157-R161 WeakPolarHBondContact O-CB 3.3Å; V157-R161 VanDerWaalsContact O-CG 3.28Å; V157-R161 WeakPolarHBondContact O-CG 3.44Å; V157-R161 PolarHBondContact O-N 3.34Å
158	S	90.5	Very high	88.2	Confident	77 Å²	77	51.9 Å²	51.9	54%	0.538	26%	0.26	S	S	.	.	H	α-helix	trans	-62.4	-49.6	178.9	-176	0	0	0	0	111.8	D154 A155 R161 H162	D154-S158 VanDerWaalsContact O-CB 3.29Å; D154-S158 WeakPolarHBondContact O-CB 3.48Å; D154-S158 PolarHBondContact O-N 3.2Å; A155-S158 PolarHBondContact O-N 2.9Å; S158-R161 WeakPolarHBondContact O-CB 3.41Å; S158-R161 PolarHBondContact O-N 2.88Å; S158-H162 PolarHBondContact O-N 3.06Å; S158-H162 VanDerWaalsContact O-N 3.09Å
159	K	91.7	Very high	87.7	Confident	42 Å²	42	44.2 Å²	44.2	18%	0.183	23%	0.227	C	C	.	.	H	α-helix	trans	-64.1	-42.7	177.4	-77.2	-72.9	-173.8	170.4	0	112.2	D71 H73 L95 A155 W156 R161 H162 H163	D71-K159 PolarHBondContact O-NZ 3.14Å; D71-K159 IonicContact OD2-NZ 3.39Å; D71-K159 PolarHBondContact OD2-NZ 3Å; H73-K159 HydrophobicContact CB-CB 4.13Å; H73-K159 HydrophobicContact CB-CD 4.21Å; H73-K159 HydrophobicContact CB-CG 3.98Å; L95-K159 HydrophobicContact CD2-CB 4.18Å; A155-K159 PolarHBondContact O-N 2.99Å; W156-K159 PolarHBondContact O-N 2.77Å; K159-R161 VanDerWaalsContact C-N 3.34Å; K159-R161 PolarHBondContact O-N 2.99Å; K159-H162 PolarHBondContact O-N 2.86Å; K159-H163 WeakPolarHBondContact O-CB 3.44Å; K159-H163 PolarHBondContact O-CD2 2.87Å; K159-H163 PolarHBondContact O-N 2.91Å
160	L	91.4	Very high	87.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-62.7	-37.8	176.1	-76.2	164.9	0	0	0	112.6	L95 L100 V120 M125 I134 W156 V157 R164	L95-L160 HydrophobicContact CD1-CD2 3.84Å; L95-L160 HydrophobicContact CD2-CD2 3.65Å; L95-L160 HydrophobicContact CD2-CG 3.91Å; L95-L160 HydrophobicContact CG-CD2 4.36Å; L100-L160 HydrophobicContact CD2-CD2 4.16Å; V120-L160 HydrophobicContact CG1-CD2 3.99Å; V120-L160 HydrophobicContact CG2-CD2 4.05Å; M125-L160 HydrophobicContact CE-CB 3.8Å; M125-L160 HydrophobicContact SD-CB 3.78Å; M125-L160 HydrophobicContact SD-CD1 4.3Å; I134-L160 HydrophobicContact CD1-CD1 3.61Å; I134-L160 HydrophobicContact CG2-CD1 4.34Å; W156-L160 HydrophobicContact CE3-CD1 4.29Å; W156-L160 HydrophobicContact CE3-CG 4.37Å; W156-L160 VanDerWaalsContact O-CB 3.23Å; W156-L160 WeakPolarHBondContact O-CB 3.49Å; W156-L160 WeakPolarHBondContact O-CD1 3.32Å; W156-L160 VanDerWaalsContact O-CG 3.24Å; W156-L160 WeakPolarHBondContact O-CG 3.46Å; W156-L160 PolarHBondContact O-N 2.93Å; V157-L160 PolarHBondContact O-N 2.83Å; L160-R164 WeakPolarHBondContact O-CB 3.44Å; L160-R164 PolarHBondContact O-N 2.87Å
161	R	88.8	Confident	86.6	Confident	87 Å²	87	45.6 Å²	45.6	33%	0.328	23%	0.231	S	C	.	.	H	α-helix	trans	-59.3	-50.1	171.8	-76.4	170.2	178	-138.9	-7	111.7	E55 I57 V157 S158 K159 R164 L165	E55-R161 VanDerWaalsContact CD-NH2 3.26Å; E55-R161 IonicContact OE1-CZ 2.86Å; E55-R161 IonicContact OE1-NH1 3.84Å; E55-R161 IonicContact OE1-NH2 2.68Å; E55-R161 PolarHBondContact OE1-NH2 2.63Å; E55-R161 IonicContact OE2-NH2 3.14Å; I57-R161 HydrophobicContact CD1-CG 3.88Å; I57-R161 HydrophobicContact CG2-CG 4.17Å; V157-R161 WeakPolarHBondContact O-CB 3.3Å; V157-R161 VanDerWaalsContact O-CG 3.28Å; V157-R161 WeakPolarHBondContact O-CG 3.44Å; V157-R161 PolarHBondContact O-N 3.34Å; S158-R161 WeakPolarHBondContact O-CB 3.41Å; S158-R161 PolarHBondContact O-N 2.88Å; K159-R161 VanDerWaalsContact C-N 3.34Å; K159-R161 PolarHBondContact O-N 2.99Å; R161-R164 PolarHBondContact O-N 3.04Å; R161-L165 WeakPolarHBondContact O-CB 3.33Å; R161-L165 PolarHBondContact O-N 3.08Å
162	H	86.3	Confident	85.6	Confident	74 Å²	74	45.2 Å²	45.2	34%	0.343	23%	0.233	S	C	.	.	H	α-helix	trans	-65.1	-48.2	-179.3	-162.8	158.7	0	0	0	111.6	Q68 P70 S158 K159 R164 L165 Y166	Q68-H162 PolarHBondContact O-NE2 2.85Å; P70-H162 HydrophobicContact CB-CB 4.3Å; S158-H162 PolarHBondContact O-N 3.06Å; S158-H162 VanDerWaalsContact O-N 3.09Å; K159-H162 PolarHBondContact O-N 2.86Å; H162-R164 VanDerWaalsContact C-N 3.33Å; H162-R164 PolarHBondContact O-N 3.03Å; H162-L165 PolarHBondContact O-N 3.49Å; H162-Y166 WeakPolarHBondContact O-CB 3.31Å; H162-Y166 PolarHBondContact O-N 3.35Å
163	H	89.5	Confident	84.3	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.6	-35.5	177	-80.4	-88.3	0	0	0	112.9	P70 D71 L95 N97 G98 K159 R167	P70-H163 HydrophobicContact CG-CB 4.33Å; P70-H163 WeakPolarHBondContact CG-ND1 3.29Å; P70-H163 PolarHBondContact O-CE1 3.38Å; D71-H163 PolarHBondContact O-NE2 3.27Å; L95-H163 HydrophobicContact CD1-CB 3.87Å; L95-H163 HydrophobicContact CD2-CB 3.95Å; L95-H163 WeakPolarHBondContact CD2-CD2 3.24Å; L95-H163 HydrophobicContact CG-CB 3.96Å; L95-H163 VanDerWaalsContact CG-CD2 3.48Å; L95-H163 WeakPolarHBondContact CG-CD2 3.34Å; N97-H163 PolarHBondContact N-ND1 2.87Å; G98-H163 PolarHBondContact N-ND1 2.91Å; K159-H163 WeakPolarHBondContact O-CB 3.44Å; K159-H163 PolarHBondContact O-CD2 2.87Å; K159-H163 PolarHBondContact O-N 2.91Å; H163-R167 WeakPolarHBondContact O-CB 3.15Å; H163-R167 PolarHBondContact O-N 2.8Å
164	R	84.6	Confident	81.9	Confident	20 Å²	20	51.3 Å²	51.3	8%	0.075	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-50.4	172.8	179.4	161	-170.1	-105.1	10.9	111.8	I57 E58 V120 S123 M125 L160 R161 H162 Y166 R167 Q168	I57-R164 PolarHBondContact O-NH1 3.05Å; E58-R164 PolarHBondContact O-NH1 2.78Å; E58-R164 VanDerWaalsContact O-NH1 3.11Å; V120-R164 HydrophobicContact CG1-CB 4.06Å; V120-R164 VanDerWaalsContact O-CD 3.24Å; V120-R164 WeakPolarHBondContact O-CD 3.25Å; V120-R164 WeakPolarHBondContact O-CG 3.44Å; V120-R164 PolarHBondContact O-NE 2.8Å; S123-R164 PolarHBondContact O-NE 3.17Å; S123-R164 PolarHBondContact O-NH2 3.36Å; M125-R164 HydrophobicContact CE-CB 4.15Å; L160-R164 WeakPolarHBondContact O-CB 3.44Å; L160-R164 PolarHBondContact O-N 2.87Å; R161-R164 PolarHBondContact O-N 3.04Å; H162-R164 VanDerWaalsContact C-N 3.33Å; H162-R164 PolarHBondContact O-N 3.03Å; R164-Y166 VanDerWaalsContact C-N 3.34Å; R164-Y166 PolarHBondContact O-N 3.18Å; R164-R167 PolarHBondContact O-N 3.37Å; R164-Q168 WeakPolarHBondContact O-CB 3.2Å; R164-Q168 WeakPolarHBondContact O-CG 3.37Å; R164-Q168 PolarHBondContact O-N 3.2Å
165	L	81.9	Confident	79.6	Confident	45 Å²	45	53.7 Å²	53.7	24%	0.236	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-41.8	-179.2	-160.3	74.9	0	0	0	111.5	L60 V67 R161 H162 N169	L60-L165 HydrophobicContact CB-CD1 4.13Å; L60-L165 HydrophobicContact CD1-CD1 3.63Å; L60-L165 HydrophobicContact CD1-CG 3.8Å; L60-L165 HydrophobicContact CG-CD1 4.5Å; V67-L165 HydrophobicContact CG2-CD2 3.86Å; V67-L165 HydrophobicContact CG2-CG 3.98Å; R161-L165 WeakPolarHBondContact O-CB 3.33Å; R161-L165 PolarHBondContact O-N 3.08Å; H162-L165 PolarHBondContact O-N 3.49Å; L165-N169 WeakPolarHBondContact O-CB 3.46Å; L165-N169 PolarHBondContact O-N 2.91Å
166	Y	84.6	Confident	77.1	Confident	21 Å²	21	63 Å²	63	8%	0.082	31%	0.309	C	S	.	.	H	α-helix	trans	-58.8	-52	172.7	176.4	-98.9	0	0	0	110.8	V67 R69 P70 N97 H162 R164 Q168 N169 E170	V67-Y166 HydrophobicContact CG1-CD2 4.37Å; R69-Y166 VanDerWaalsContact CA-CE2 3.42Å; R69-Y166 HydrophobicContact CB-CD2 4.44Å; R69-Y166 HydrophobicContact CB-CE2 3.7Å; R69-Y166 HydrophobicContact CG-CE1 4.36Å; R69-Y166 HydrophobicContact CG-CE2 4.05Å; P70-Y166 VanDerWaalsContact CD-CG 3.44Å; P70-Y166 HydrophobicContact CG-CG 4.19Å; N97-Y166 HydrophobicContact CB-CE1 4.46Å; H162-Y166 WeakPolarHBondContact O-CB 3.31Å; H162-Y166 PolarHBondContact O-N 3.35Å; R164-Y166 VanDerWaalsContact C-N 3.34Å; R164-Y166 PolarHBondContact O-N 3.18Å; Y166-Q168 PolarHBondContact O-N 2.77Å; Y166-N169 CarbonylContact O-C 3.6Å; Y166-N169 WeakPolarHBondContact O-CA 3.44Å; Y166-N169 WeakPolarHBondContact O-CB 3.43Å; Y166-N169 PolarHBondContact O-N 3.47Å; Y166-N169 VanDerWaalsContact O-N 3.1Å; Y166-E170 HydrophobicContact CD1-CG 3.89Å; Y166-E170 HydrophobicContact CD2-CG 4.46Å; Y166-E170 HydrophobicContact CE1-CG 3.49Å; Y166-E170 VanDerWaalsContact CE1-CG 3.49Å; Y166-E170 WeakPolarHBondContact CE1-OE2 3.37Å; Y166-E170 HydrophobicContact CE2-CG 4.12Å; Y166-E170 HydrophobicContact CG-CG 4.36Å; Y166-E170 VanDerWaalsContact CZ-CD 3.42Å; Y166-E170 VanDerWaalsContact O-CG 3.31Å; Y166-E170 WeakPolarHBondContact O-CG 3.36Å; Y166-E170 PolarHBondContact O-N 2.84Å; Y166-E170 VanDerWaalsContact OH-CD 3.26Å; Y166-E170 PolarHBondContact OH-OE2 3.24Å
167	R	83.8	Confident	73.9	Confident	73 Å²	73	71.3 Å²	71.3	28%	0.275	35%	0.349	S	S	.	.	H	α-helix	trans	-65.4	-36.7	-177.3	-175.1	53.7	179.2	147.9	6.1	113.2	D119 H163 R164 E170 I171	D119-R167 VanDerWaalsContact OD1-CG 3.3Å; D119-R167 WeakPolarHBondContact OD1-CG 3.26Å; D119-R167 IonicContact OD1-NE 2.62Å; D119-R167 IonicContact OD2-CZ 2.7Å; D119-R167 IonicContact OD2-NE 3.56Å; D119-R167 PolarHBondContact OD2-NE 3.36Å; D119-R167 IonicContact OD2-NH2 3.92Å; D119-R167 PolarHBondContact OD2-NH2 3.29Å; H163-R167 WeakPolarHBondContact O-CB 3.15Å; H163-R167 PolarHBondContact O-N 2.8Å; R164-R167 PolarHBondContact O-N 3.37Å; R167-E170 PolarHBondContact O-N 2.94Å; R167-I171 HydrophobicContact CG-CD1 3.94Å; R167-I171 WeakPolarHBondContact O-CB 3.48Å; R167-I171 WeakPolarHBondContact O-CD1 3.48Å; R167-I171 WeakPolarHBondContact O-CG1 3.39Å; R167-I171 PolarHBondContact O-N 3.45Å
168	Q	79.4	Confident	71.4	Confident	31 Å²	31	76.9 Å²	76.9	15%	0.145	39%	0.385	C	S	.	.	H	α-helix	trans	-63.3	-42.3	171.6	-73.4	179	-11.4	0	0	111.3	L60 G121 R164 Y166 I171 V172	L60-Q168 HydrophobicContact CB-CB 4.25Å; G121-Q168 VanDerWaalsContact O-CG 3.26Å; G121-Q168 WeakPolarHBondContact O-CG 3.38Å; G121-Q168 PolarHBondContact O-NE2 2.83Å; R164-Q168 WeakPolarHBondContact O-CB 3.2Å; R164-Q168 WeakPolarHBondContact O-CG 3.37Å; R164-Q168 PolarHBondContact O-N 3.2Å; Y166-Q168 PolarHBondContact O-N 2.77Å; Q168-I171 PolarHBondContact O-N 2.7Å; Q168-V172 WeakPolarHBondContact O-CB 3.17Å; Q168-V172 VanDerWaalsContact O-CG2 3.27Å; Q168-V172 WeakPolarHBondContact O-CG2 3.42Å; Q168-V172 PolarHBondContact O-N 2.81Å
169	N	77.4	Confident	68.5	Low	8 Å²	8	79.3 Å²	79.3	4%	0.043	40%	0.396	C	S	.	.	H	α-helix	trans	-63.7	-43.6	174.7	-163.9	11.8	0	0	0	111.7	L60 V67 L165 Y166 I171 V172 R173	L60-N169 HydrophobicContact CD1-CB 4.44Å; L60-N169 HydrophobicContact CD2-CB 4.31Å; V67-N169 HydrophobicContact CG2-CB 4.43Å; L165-N169 WeakPolarHBondContact O-CB 3.46Å; L165-N169 PolarHBondContact O-N 2.91Å; Y166-N169 CarbonylContact O-C 3.6Å; Y166-N169 WeakPolarHBondContact O-CA 3.44Å; Y166-N169 WeakPolarHBondContact O-CB 3.43Å; Y166-N169 PolarHBondContact O-N 3.47Å; Y166-N169 VanDerWaalsContact O-N 3.1Å; N169-I171 PolarHBondContact O-N 2.87Å; N169-V172 PolarHBondContact O-N 3.5Å; N169-R173 WeakPolarHBondContact O-CB 3.27Å; N169-R173 VanDerWaalsContact O-CG 3.24Å; N169-R173 WeakPolarHBondContact O-CG 3.27Å; N169-R173 PolarHBondContact O-N 2.98Å; N169-R173 VanDerWaalsContact OD1-CD 3.31Å; N169-R173 WeakPolarHBondContact OD1-CD 3.33Å
170	E	76.9	Confident	65.4	Low	72 Å²	72	84.2 Å²	84.2	34%	0.336	42%	0.422	S	S	.	.	H	α-helix	trans	-60.4	-43.7	174.7	-64.9	-81.9	73.2	0	0	112.2	Y166 R167 V172 R173 S174	Y166-E170 HydrophobicContact CD1-CG 3.89Å; Y166-E170 HydrophobicContact CD2-CG 4.46Å; Y166-E170 HydrophobicContact CE1-CG 3.49Å; Y166-E170 VanDerWaalsContact CE1-CG 3.49Å; Y166-E170 WeakPolarHBondContact CE1-OE2 3.37Å; Y166-E170 HydrophobicContact CE2-CG 4.12Å; Y166-E170 HydrophobicContact CG-CG 4.36Å; Y166-E170 VanDerWaalsContact CZ-CD 3.42Å; Y166-E170 VanDerWaalsContact O-CG 3.31Å; Y166-E170 WeakPolarHBondContact O-CG 3.36Å; Y166-E170 PolarHBondContact O-N 2.84Å; Y166-E170 VanDerWaalsContact OH-CD 3.26Å; Y166-E170 PolarHBondContact OH-OE2 3.24Å; R167-E170 PolarHBondContact O-N 2.94Å; E170-V172 VanDerWaalsContact C-N 3.33Å; E170-V172 PolarHBondContact O-N 2.85Å; E170-R173 PolarHBondContact O-N 3.26Å; E170-S174 WeakPolarHBondContact O-CB 3.13Å; E170-S174 PolarHBondContact O-N 3.19Å
171	I	76.4	Confident	62.6	Low	70 Å²	70	94 Å²	94	36%	0.359	46%	0.459	S	S	.	.	H	α-helix	trans	-63.8	-39	177.2	-71.1	162.9	0	0	0	111	L122 R167 Q168 N169 R173	L122-I171 HydrophobicContact CD2-CD1 3.88Å; L122-I171 HydrophobicContact CG-CD1 3.94Å; R167-I171 HydrophobicContact CG-CD1 3.94Å; R167-I171 WeakPolarHBondContact O-CB 3.48Å; R167-I171 WeakPolarHBondContact O-CD1 3.48Å; R167-I171 WeakPolarHBondContact O-CG1 3.39Å; R167-I171 PolarHBondContact O-N 3.45Å; Q168-I171 PolarHBondContact O-N 2.7Å; N169-I171 PolarHBondContact O-N 2.87Å; I171-R173 VanDerWaalsContact C-N 3.31Å
172	V	67.2	Low	59.6	Low	112 Å²	112	95.5 Å²	95.5	68%	0.679	48%	0.478	S	S	*	.	H	α-helix	trans	-73.4	-22	176	169.8	0	0	0	0	112.4	Q168 N169 E170	Q168-V172 WeakPolarHBondContact O-CB 3.17Å; Q168-V172 VanDerWaalsContact O-CG2 3.27Å; Q168-V172 WeakPolarHBondContact O-CG2 3.42Å; Q168-V172 PolarHBondContact O-N 2.81Å; N169-V172 PolarHBondContact O-N 3.5Å; E170-V172 VanDerWaalsContact C-N 3.33Å; E170-V172 PolarHBondContact O-N 2.85Å
173	R	62.4	Low	56.7	Low	128 Å²	128	101.4 Å²	101.4	48%	0.483	50%	0.503	S	S	.	.	H	α-helix	trans	-101.6	-12.4	-174.9	-78.3	-175.4	148.8	167.2	-2.4	116.3	S65 N169 E170 I171 P175	S65-R173 PolarHBondContact O-NH1 3.17Å; S65-R173 PolarHBondContact O-NH2 3.1Å; N169-R173 WeakPolarHBondContact O-CB 3.27Å; N169-R173 VanDerWaalsContact O-CG 3.24Å; N169-R173 WeakPolarHBondContact O-CG 3.27Å; N169-R173 PolarHBondContact O-N 2.98Å; N169-R173 VanDerWaalsContact OD1-CD 3.31Å; N169-R173 WeakPolarHBondContact OD1-CD 3.33Å; E170-R173 PolarHBondContact O-N 3.26Å; I171-R173 VanDerWaalsContact C-N 3.31Å; R173-P175 WeakPolarHBondContact O-CD 3.35Å
174	S	42.7	Very low	54	Low	90 Å²	90	106.6 Å²	106.6	63%	0.629	54%	0.537	S	S	*	.			trans	-111.4	89.4	-167.5	-169.2	0	0	0	0	113.7	E170 R176	E170-S174 WeakPolarHBondContact O-CB 3.13Å; E170-S174 PolarHBondContact O-N 3.19Å; S174-R176 PolarHBondContact O-N 2.91Å
175	P	40.8	Very low	51.4	Low	120 Å²	120	111.2 Å²	111.2	78%	0.779	57%	0.569	S	S	*	*			trans	-76.6	100.9	161.1	31.4	-30.9	0	0	0	110.1	R173	R173-P175 WeakPolarHBondContact O-CD 3.35Å
176	R	37.2	Very low	49	Very low	236 Å²	236	115.2 Å²	115.2	89%	0.891	60%	0.597	S	S	*	*			trans	33.8	116.5	159.7	-63.2	179	178	167.3	-0.8	119.2	S174	S174-R176 PolarHBondContact O-N 2.91Å
177	E	26.1	Very low	46.4	Very low	179 Å²	179	119.1 Å²	119.1	84%	0.836	63%	0.634	S	S	*	*			trans	-123.5	135.9	136.8	-83.2	-161.2	140.4	0	0	110.2
178	P	39.3	Very low	43.9	Very low	129 Å²	129	120.5 Å²	120.5	84%	0.838	66%	0.661	S	S	*	*			trans	-108	101.4	176.1	36	-27.1	0	0	0	112.7
179	T	29.3	Very low	41.5	Very low	128 Å²	128	127.3 Å²	127.3	79%	0.785	70%	0.695	S	S	*	*			trans	-110.7	115.2	174.4	-17.8	0	0	0	0	112.6
180	M	28.3	Very low	39.1	Very low	146 Å²	146	135 Å²	135	72%	0.719	73%	0.731	S	S	*	*			trans	-68.6	155	163.7	-65	-135.9	108.9	0	0	110.7
181	R	32.7	Very low	36.6	Very low	206 Å²	206	138.6 Å²	138.6	78%	0.777	76%	0.758	S	S	*	*			cis	-129.2	-115.1	-0.9	-123.6	165.8	-147.2	-162.5	5.8	109.1
182	T	25.6	Very low	34.7	Very low	117 Å²	117	140.3 Å²	140.3	72%	0.718	77%	0.774	S	S	*	*			cis	-157.2	140.6	-8.4	-44.3	0	0	0	0	109.5
183	F	25.7	Very low	32.7	Very low	199 Å²	199	143.1 Å²	143.1	87%	0.873	78%	0.779	S	S	*	*			trans	-128.9	155.4	156.7	-92.2	-86.3	0	0	0	107.7
184	P	31.1	Very low	31.6	Very low	109 Å²	109	141.7 Å²	141.7	71%	0.708	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-74.7	157.1	-165.8	30.3	-35.7	0	0	0	114
185	P	31.4	Very low	30.8	Very low	117 Å²	117	142.2 Å²	142.2	76%	0.76	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-77.9	157	-177.4	32.7	-36.5	0	0	0	113.4
186	P	31.9	Very low	30.7	Very low	128 Å²	128	141.5 Å²	141.5	83%	0.831	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-71.2	158.1	165.1	-11	27.8	0	0	0	112
187	A	29.7	Very low	30.3	Very low	104 Å²	104	137.1 Å²	137.1	86%	0.86	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-83.5	145	172.6	0	0	0	0	0	112
188	A	31.2	Very low	30.4	Very low	101 Å²	101	134.7 Å²	134.7	84%	0.835	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-92.5	161.4	167	0	0	0	0	0	110.9
189	M	29.4	Very low	29.8	Very low	175 Å²	175	133.9 Å²	133.9	86%	0.862	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-84.5	139.9	-177.5	-64.7	176.3	76.2	0	0	112.9
190	E	26.7	Very low	29.7	Very low	170 Å²	170	134.1 Å²	134.1	79%	0.794	76%	0.764	S	S	*	*			trans	18	122.8	150.3	-55.2	-176.2	156.7	0	0	120.8
191	T	24.6	Very low	29.6	Very low	146 Å²	146	134.6 Å²	134.6	90%	0.896	77%	0.765	S	S	*	*				-167.8	163	112.6	20.7	0	0	0	0	109.9
192	P	35	Very low	29.3	Very low	107 Å²	107	129 Å²	129	70%	0.695	75%	0.754	S	S	*	*			trans	-116.1	150.9	-139.8	41.3	-36.5	0	0	0	118.9
193	Q	24.8	Very low	29.4	Very low	171 Å²	171	131 Å²	131	80%	0.799	75%	0.752	S	S	*	*			trans	56.2	165.7	134.5	-70.3	-90.1	-12.7	0	0	120.5
194	P	39.4	Very low	29.4	Very low	97 Å²	97	130.1 Å²	130.1	63%	0.63	75%	0.751	S	S	*	*			cis	-132.3	143.2	-6.1	35.8	-17.8	0	0	0	117.2
195	S	26.9	Very low	29.1	Very low	101 Å²	101	128.6 Å²	128.6	71%	0.706	75%	0.748	S	S	*	*			trans	54	174.9	132.2	85	0	0	0	0	122.7
196	P	39.4	Very low	28.9	Very low	105 Å²	105	132.7 Å²	132.7	68%	0.682	75%	0.754	S	S	*	*			cis	-129.2	-162.5	-44.6	25	-2.1	0	0	0	112.4
197	I	28.1	Very low	28.5	Very low	144 Å²	144	131.1 Å²	131.1	74%	0.738	75%	0.746	S	S	*	*			trans	117.3	103.1	148.5	-63.6	172.6	0	0	0	117.5
198	V	28.1	Very low	28.3	Very low	128 Å²	128	131.4 Å²	131.4	78%	0.776	74%	0.741	S	S	*	*			trans	55	140.2	130.5	174.4	0	0	0	0	120.5
199	V	26.5	Very low	27.9	Very low	113 Å²	113	131.3 Å²	131.3	69%	0.685	73%	0.734	S	S	*	*			cis	-172.8	175.3	-23.1	91.4	0	0	0	0	108.7
200	N	27.3	Very low	27.8	Very low	132 Å²	132	131.1 Å²	131.1	71%	0.706	74%	0.736	S	S	*	*			trans	72.1	135.9	172.7	-75.1	-4.3	0	0	0	117
201	E	26.6	Very low	28.4	Very low	157 Å²	157	128.1 Å²	128.1	73%	0.734	73%	0.731	S	S	*	*				79.2	137.3	51.8	-71.4	-147.9	164.7	0	0	113.8
202	T	25.2	Very low	28.2	Very low	88 Å²	88	132.1 Å²	132.1	54%	0.54	73%	0.73	S	S	.	*			cis	-156.6	162.7	3.2	8.2	0	0	0	0	114.6
203	K	27.9	Very low	27.7	Very low	158 Å²	158	134.2 Å²	134.2	69%	0.687	73%	0.731	S	S	*	*			trans	58.6	123.6	142.5	-71.7	159.4	-170.6	158.9	0	123.3
204	Q	26.6	Very low	28.3	Very low	181 Å²	181	131.5 Å²	131.5	85%	0.846	73%	0.728	S	S	*	*				67.5	159	128	-63.6	173.3	-12.7	0	0	120.6
205	A	25.4	Very low	27.6	Very low	78 Å²	78	131.9 Å²	131.9	65%	0.645	74%	0.74	S	S	*	*			cis	-175.4	154	-33.1	0	0	0	0	0	110.4
206	K	26.6	Very low	27.6	Very low	202 Å²	202	131.6 Å²	131.6	88%	0.878	74%	0.743	S	S	*	*			trans	68.7	161.9	170.7	-55.2	177.1	-178.1	177.4	0	115.7
207	S	23.9	Very low	27.8	Very low	95 Å²	95	132 Å²	132	66%	0.664	75%	0.746	S	S	*	*			cis	-171.7	164.1	-29.8	55.5	0	0	0	0	110.3
208	S	24	Very low	27.6	Very low	110 Å²	110	130.3 Å²	130.3	77%	0.769	75%	0.747	S	S	*	*			trans	63.4	159.9	163.7	52.9	0	0	0	0	119.4
209	S	24.2	Very low	27.4	Very low	99 Å²	99	128.8 Å²	128.8	69%	0.692	74%	0.742	S	S	*	*			cis	-173.4	117	-39.7	54	0	0	0	0	113.1
210	L	26	Very low	27.5	Very low	171 Å²	171	128.9 Å²	128.9	90%	0.895	75%	0.748	S	S	*	*			trans	59.8	178.2	162.4	-58.7	173.7	0	0	0	116.7
211	P	39.3	Very low	27.5	Very low	107 Å²	107	128 Å²	128	70%	0.695	75%	0.752	S	S	*	*			cis	-127.8	176.8	-15.9	38.8	-22.9	0	0	0	115.5
212	W	22.1	Very low	27.8	Very low	231 Å²	231	128.7 Å²	128.7	88%	0.875	76%	0.76	S	S	*	*			trans	63.2	161.5	153.4	-87.3	41.2	0	0	0	119.4
213	Q	23.8	Very low	28	Very low	150 Å²	150	130.1 Å²	130.1	70%	0.701	77%	0.774	S	S	*	*			cis	-155.9	-163.6	-39.3	-132.3	-152	-11.4	0	0	108
214	P	37.8	Very low	28.3	Very low	114 Å²	114	127.8 Å²	127.8	74%	0.74	78%	0.777	S	S	*	*			trans	-101.9	165.2	-141.8	42.7	-37.3	0	0	0	116.9
215	A	23.5	Very low	28.4	Very low	106 Å²	106	127.4 Å²	127.4	88%	0.876	78%	0.78	S	S	*	*			trans	-150.5	146.5	159.9	0	0	0	0	0	112.4
216	A	27.9	Very low	28.8	Very low	94 Å²	94	133 Å²	133	78%	0.777	79%	0.793	S	S	*	*			trans	-132.6	179.1	164.6	0	0	0	0	0	106.3
217	P	42.8	Very low	29	Very low	114 Å²	114	126.4 Å²	126.4	74%	0.74	78%	0.776	S	S	*	*			cis	-135.3	-156.9	6.1	43.5	-24.5	0	0	0	113.4
218	S	23.4	Very low	29.8	Very low	109 Å²	109	127.3 Å²	127.3	76%	0.762	78%	0.782	S	S	*	*			trans	73.4	153.6	163.9	91.2	0	0	0	0	117.6
219	S	25.4	Very low	30.4	Very low	96 Å²	96	129.2 Å²	129.2	67%	0.671	77%	0.774	S	S	*	*			cis	-169.4	142.5	-28.2	48.2	0	0	0	0	110.4
220	S	27.2	Very low	31.2	Very low	115 Å²	115	130 Å²	130	80%	0.804	78%	0.779	S	S	*	*			trans	59.3	131.3	173.1	68.8	0	0	0	0	116
221	S	29.1	Very low	32.3	Very low	114 Å²	114	127.2 Å²	127.2	80%	0.797	77%	0.765	S	S	*	*				-171.7	166.4	63.7	42.4	0	0	0	0	111.4
222	N	31.7	Very low	32.9	Very low	171 Å²	171	124.2 Å²	124.2	91%	0.914	75%	0.753	S	S	*	*			trans	-77.7	125.2	-174	-63.8	-21.4	0	0	0	113
223	S	29.1	Very low	34.3	Very low	118 Å²	118	121 Å²	121	83%	0.825	75%	0.748	S	S	*	*			trans	-155.3	147.1	135.1	55.8	0	0	0	0	112.8
224	S	34.4	Very low	35.7	Very low	108 Å²	108	116.1 Å²	116.1	76%	0.755	73%	0.731	S	S	*	*			trans	-54.7	130.7	-176.3	49.5	0	0	0	0	116.3
225	L	29.5	Very low	36.7	Very low	174 Å²	174	117.3 Å²	117.3	91%	0.911	72%	0.721	S	S	*	*			trans	-135.8	126.6	137.7	-81.9	-178.3	0	0	0	109.9
226	Q	33.1	Very low	38.4	Very low	195 Å²	195	115.1 Å²	115.1	91%	0.911	70%	0.696	S	S	*	*			trans	-78.8	131.9	170.6	-69	172.5	-60.3	0	0	109.7
227	A	30.4	Very low	39.9	Very low	63 Å²	63	113 Å²	113	52%	0.521	68%	0.679	S	S	.	*			trans	-118.2	120.6	160.7	0	0	0	0	0	108.4	Y229	A227-Y229 HydrophobicContact CB-CD2 4.35Å; A227-Y229 HydrophobicContact CB-CE2 3.8Å; A227-Y229 WeakPolarHBondContact O-CD2 3.4Å; A227-Y229 PolarHBondContact O-N 2.85Å
228	S	41.7	Very low	40.9	Very low	114 Å²	114	109.7 Å²	109.7	80%	0.797	66%	0.661	S	S	*	*			trans	-77.2	85.4	-170.8	-57.1	0	0	0	0	112.4	S230	S228-S230 VanDerWaalsContact C-N 3.32Å; S228-S230 PolarHBondContact O-N 3Å
229	Y	36.1	Very low	42.9	Very low	151 Å²	151	107.3 Å²	107.3	59%	0.592	64%	0.635	S	S	*	*			trans	-75.1	79.9	175	-69	-78.4	0	0	0	112.2	A227 N231 S234	A227-Y229 HydrophobicContact CB-CD2 4.35Å; A227-Y229 HydrophobicContact CB-CE2 3.8Å; A227-Y229 WeakPolarHBondContact O-CD2 3.4Å; A227-Y229 PolarHBondContact O-N 2.85Å; Y229-N231 VanDerWaalsContact C-N 3.26Å; Y229-N231 PolarHBondContact O-N 3Å; Y229-S234 VanDerWaalsContact CD1-OG 3.3Å; Y229-S234 WeakPolarHBondContact CD1-OG 3.31Å
230	S	40.4	Very low	44.6	Very low	115 Å²	115	106.8 Å²	106.8	80%	0.804	62%	0.624	S	S	*	*			trans	-82.4	29.2	-177	55.3	0	0	0	0	114.9	S228	S228-S230 VanDerWaalsContact C-N 3.32Å; S228-S230 PolarHBondContact O-N 3Å
231	N	50	Low	46.2	Very low	113 Å²	113	109.2 Å²	109.2	60%	0.604	62%	0.623	S	S	*	*			trans	-153.9	133.1	176.4	-133.6	-33.8	0	0	0	113.9	Y229 Q233 S234	Y229-N231 VanDerWaalsContact C-N 3.26Å; Y229-N231 PolarHBondContact O-N 3Å; N231-Q233 VanDerWaalsContact C-N 3.28Å; N231-Q233 PolarHBondContact O-N 2.79Å; N231-S234 PolarHBondContact O-N 2.94Å; N231-S234 VanDerWaalsContact O-N 3.13Å
232	G	51.8	Low	47.9	Very low	43 Å²	43	111.4 Å²	111.4	44%	0.443	62%	0.621	S	S	.	*	H	α-helix	trans	-62.5	-29.6	-172.6	0	0	0	0	0	114.6	S234 R235 V236	G232-S234 PolarHBondContact O-N 3.15Å; G232-R235 PolarHBondContact O-N 3.01Å; G232-V236 PolarHBondContact O-N 3.28Å
233	Q	51.2	Low	49.8	Very low	163 Å²	163	103.9 Å²	103.9	76%	0.762	58%	0.582	S	S	*	*	H	α-helix	trans	-58.2	-33	176.2	-67	-178.5	-9	0	0	112.7	N231 R235 A237	N231-Q233 VanDerWaalsContact C-N 3.28Å; N231-Q233 PolarHBondContact O-N 2.79Å; Q233-R235 VanDerWaalsContact C-N 3.32Å; Q233-R235 PolarHBondContact O-N 3.06Å; Q233-A237 WeakPolarHBondContact O-CB 3.44Å; Q233-A237 PolarHBondContact O-N 3.26Å
234	S	53.4	Low	52.1	Low	48 Å²	48	104.5 Å²	104.5	34%	0.336	57%	0.572	S	S	.	*	H	α-helix	trans	-73.2	-24.7	178.9	-162.8	0	0	0	0	113.1	Y229 N231 G232 A238	Y229-S234 VanDerWaalsContact CD1-OG 3.3Å; Y229-S234 WeakPolarHBondContact CD1-OG 3.31Å; N231-S234 PolarHBondContact O-N 2.94Å; N231-S234 VanDerWaalsContact O-N 3.13Å; G232-S234 PolarHBondContact O-N 3.15Å; S234-A238 PolarHBondContact O-N 3.03Å
235	R	58.2	Low	54.1	Low	140 Å²	140	102.9 Å²	102.9	53%	0.528	55%	0.552	S	S	.	*	H	α-helix	trans	-80.5	-42.2	179.9	-57.9	-174.5	-173	-176.7	2.3	111	G232 Q233 A237 A238 W239	G232-R235 PolarHBondContact O-N 3.01Å; Q233-R235 VanDerWaalsContact C-N 3.32Å; Q233-R235 PolarHBondContact O-N 3.06Å; R235-A237 VanDerWaalsContact C-N 3.27Å; R235-A237 PolarHBondContact O-N 3.21Å; R235-A238 PolarHBondContact O-N 2.71Å; R235-W239 WeakPolarHBondContact O-CB 3.21Å; R235-W239 PolarHBondContact O-N 2.92Å
236	V	59.3	Low	56.4	Low	60 Å²	60	96.6 Å²	96.6	36%	0.364	52%	0.518	S	S	.	.	H	α-helix	trans	-61.9	-36.7	172.3	-180	0	0	0	0	111.1	G232 L240	G232-V236 PolarHBondContact O-N 3.28Å; V236-L240 HydrophobicContact CG1-CD1 3.97Å; V236-L240 HydrophobicContact CG1-CG 4.39Å; V236-L240 WeakPolarHBondContact O-CB 3.27Å; V236-L240 VanDerWaalsContact O-CG 3.26Å; V236-L240 WeakPolarHBondContact O-CG 3.3Å; V236-L240 PolarHBondContact O-N 2.75Å
237	A	59.5	Low	58.7	Low	50 Å²	50	92.2 Å²	92.2	41%	0.413	50%	0.501	S	S	.	.	H	α-helix	trans	-65.2	-40.6	176.6	0	0	0	0	0	113.5	Q233 R235	Q233-A237 WeakPolarHBondContact O-CB 3.44Å; Q233-A237 PolarHBondContact O-N 3.26Å; R235-A237 VanDerWaalsContact C-N 3.27Å; R235-A237 PolarHBondContact O-N 3.21Å
238	A	63	Low	61.1	Low	44 Å²	44	93.4 Å²	93.4	36%	0.364	50%	0.495	S	S	.	.	H	α-helix	trans	-68.8	-45.9	174.7	0	0	0	0	0	111.6	S234 R235 L240 Q241 E242	S234-A238 PolarHBondContact O-N 3.03Å; R235-A238 PolarHBondContact O-N 2.71Å; A238-L240 VanDerWaalsContact C-N 3.27Å; A238-L240 PolarHBondContact O-N 3.35Å; A238-Q241 WeakPolarHBondContact O-CA 3.24Å; A238-Q241 WeakPolarHBondContact O-CB 3.28Å; A238-Q241 PolarHBondContact O-N 2.93Å; A238-E242 PolarHBondContact O-N 2.94Å
239	W	65.8	Low	63.2	Low	59 Å²	59	88.1 Å²	88.1	22%	0.223	46%	0.457	C	S	.	.	H	α-helix	trans	-58.7	-37.7	177.9	-176.5	92.1	0	0	0	112.6	R235 Q241 E242 S243 M246 E388 I392	R235-W239 WeakPolarHBondContact O-CB 3.21Å; R235-W239 PolarHBondContact O-N 2.92Å; W239-Q241 PolarHBondContact O-N 3.38Å; W239-E242 PolarHBondContact O-N 2.87Å; W239-E242 VanDerWaalsContact O-N 3.13Å; W239-S243 WeakPolarHBondContact CH2-OG 3.47Å; W239-S243 PolarHBondContact O-N 3.05Å; W239-M246 HydrophobicContact CH2-CG 4Å; W239-M246 HydrophobicContact CZ3-CG 3.82Å; W239-E388 HydrophobicContact CH2-CB 3.63Å; W239-E388 HydrophobicContact CH2-CG 3.8Å; W239-E388 VanDerWaalsContact CH2-OE2 3.29Å; W239-E388 WeakPolarHBondContact CH2-OE2 3.45Å; W239-E388 HydrophobicContact CZ2-CB 4.43Å; W239-E388 VanDerWaalsContact CZ2-OE2 3.28Å; W239-E388 WeakPolarHBondContact CZ2-OE2 3.42Å; W239-E388 HydrophobicContact CZ3-CB 4.37Å; W239-I392 HydrophobicContact CD2-CD1 4.03Å; W239-I392 HydrophobicContact CD2-CG1 3.79Å; W239-I392 HydrophobicContact CE3-CD1 3.61Å; W239-I392 HydrophobicContact CE3-CG1 3.92Å; W239-I392 HydrophobicContact CG-CG1 4.45Å; W239-I392 HydrophobicContact CH2-CD1 4.17Å; W239-I392 HydrophobicContact CH2-CG1 4.25Å; W239-I392 HydrophobicContact CZ2-CD1 4.47Å; W239-I392 HydrophobicContact CZ2-CG1 4.05Å; W239-I392 HydrophobicContact CZ3-CD1 3.7Å; W239-I392 HydrophobicContact CZ3-CG1 4.16Å
240	L	62	Low	65.4	Low	84 Å²	84	83.5 Å²	83.5	44%	0.44	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-10.1	173.7	-78	169.3	0	0	0	114.3	V236 A238 M246	V236-L240 HydrophobicContact CG1-CD1 3.97Å; V236-L240 HydrophobicContact CG1-CG 4.39Å; V236-L240 WeakPolarHBondContact O-CB 3.27Å; V236-L240 VanDerWaalsContact O-CG 3.26Å; V236-L240 WeakPolarHBondContact O-CG 3.3Å; V236-L240 PolarHBondContact O-N 2.75Å; A238-L240 VanDerWaalsContact C-N 3.27Å; A238-L240 PolarHBondContact O-N 3.35Å; L240-M246 HydrophobicContact CD2-CE 4.09Å; L240-M246 HydrophobicContact CD2-CG 4.17Å
241	Q	60.4	Low	67.4	Low	167 Å²	167	82.9 Å²	82.9	78%	0.78	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.6	-1.7	174.4	-65.9	178.8	-22.4	0	0	112.7	A238 W239	A238-Q241 WeakPolarHBondContact O-CA 3.24Å; A238-Q241 WeakPolarHBondContact O-CB 3.28Å; A238-Q241 PolarHBondContact O-N 2.93Å; W239-Q241 PolarHBondContact O-N 3.38Å
242	E	64.6	Low	69.1	Low	159 Å²	159	79.7 Å²	79.7	74%	0.743	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.9	-10.1	-177.6	-67.4	177.9	166	0	0	113.3	A238 W239	A238-E242 PolarHBondContact O-N 2.94Å; W239-E242 PolarHBondContact O-N 2.87Å; W239-E242 VanDerWaalsContact O-N 3.13Å
243	S	72.6	Confident	70.7	Confident	14 Å²	14	81.3 Å²	81.3	10%	0.098	42%	0.415	C	S	.	.			trans	-93.1	101.7	-177.4	-175.8	0	0	0	0	112.8	W239 E245 M246 D247 E388	W239-S243 WeakPolarHBondContact CH2-OG 3.47Å; W239-S243 PolarHBondContact O-N 3.05Å; S243-E245 PolarHBondContact O-N 2.98Å; S243-E245 VanDerWaalsContact O-N 3.1Å; S243-M246 WeakPolarHBondContact O-CB 3.43Å; S243-M246 PolarHBondContact O-N 2.94Å; S243-D247 PolarHBondContact O-N 3.33Å; S243-E388 PolarHBondContact OG-OE2 2.79Å
244	E	76.3	Confident	72.4	Confident	131 Å²	131	76.2 Å²	76.2	61%	0.612	40%	0.4	S	S	*	.	H	α-helix	trans	-54.1	-30	175.6	-63.2	-172.1	-179.1	0	0	113.8	M246 D247 K248	E244-M246 VanDerWaalsContact C-N 3.32Å; E244-D247 PolarHBondContact O-N 3.47Å; E244-K248 WeakPolarHBondContact O-CD 3.48Å; E244-K248 WeakPolarHBondContact O-CE 3.14Å; E244-K248 VanDerWaalsContact O-CG 3.25Å; E244-K248 WeakPolarHBondContact O-CG 3.22Å; E244-K248 PolarHBondContact O-N 2.82Å; E244-K248 IonicContact OE2-NZ 3.71Å; E244-K248 PolarHBondContact OE2-NZ 3.05Å
245	E	76.9	Confident	73.9	Confident	74 Å²	74	80 Å²	80	35%	0.346	41%	0.407	S	S	.	.	H	α-helix	trans	-71.7	-28.3	178.6	-60.1	-51.9	130.1	0	0	112	S243 K248 C249 T384	S243-E245 PolarHBondContact O-N 2.98Å; S243-E245 VanDerWaalsContact O-N 3.1Å; E245-K248 IonicContact OE1-NZ 3.65Å; E245-K248 PolarHBondContact OE1-NZ 2.84Å; E245-C249 VanDerWaalsContact O-CB 3.28Å; E245-C249 WeakPolarHBondContact O-CB 3.29Å; E245-C249 PolarHBondContact O-N 2.88Å; E245-T384 HydrophobicContact CB-CG2 3.99Å; E245-T384 WeakPolarHBondContact O-CG2 3.4Å
246	M	78.6	Confident	75.3	Confident	41 Å²	41	73.4 Å²	73.4	20%	0.202	38%	0.383	C	S	.	.	H	α-helix	trans	-72.7	-35.6	171.6	-72.1	-59.9	-48	0	0	112.1	W239 L240 S243 E244 C249 A250 V385 E388	W239-M246 HydrophobicContact CH2-CG 4Å; W239-M246 HydrophobicContact CZ3-CG 3.82Å; L240-M246 HydrophobicContact CD2-CE 4.09Å; L240-M246 HydrophobicContact CD2-CG 4.17Å; S243-M246 WeakPolarHBondContact O-CB 3.43Å; S243-M246 PolarHBondContact O-N 2.94Å; E244-M246 VanDerWaalsContact C-N 3.32Å; M246-C249 WeakPolarHBondContact O-CB 3.38Å; M246-C249 PolarHBondContact O-N 3.07Å; M246-A250 WeakPolarHBondContact O-CB 3.34Å; M246-A250 PolarHBondContact O-N 3.46Å; M246-V385 HydrophobicContact CE-CG2 4.2Å; M246-V385 HydrophobicContact SD-CG2 4.28Å; M246-E388 HydrophobicContact CG-CG 4.15Å; M246-E388 HydrophobicContact SD-CB 4.12Å; M246-E388 HydrophobicContact SD-CG 3.9Å
247	D	80.8	Confident	76.6	Confident	103 Å²	103	77.1 Å²	77.1	55%	0.551	40%	0.396	S	S	*	.	H	α-helix	trans	-66.9	-43	172.6	-75.2	-34.4	0	0	0	111.6	S243 E244 C249 A250 E251	S243-D247 PolarHBondContact O-N 3.33Å; E244-D247 PolarHBondContact O-N 3.47Å; D247-C249 VanDerWaalsContact C-N 3.32Å; D247-C249 PolarHBondContact O-N 2.9Å; D247-A250 WeakPolarHBondContact O-CB 3.31Å; D247-A250 PolarHBondContact O-N 2.88Å; D247-A250 VanDerWaalsContact O-N 3.14Å; D247-E251 PolarHBondContact O-N 3.33Å
248	K	81.3	Confident	77.9	Confident	89 Å²	89	78.3 Å²	78.3	39%	0.387	40%	0.401	S	S	.	.	H	α-helix	trans	-58.3	-44.7	171.8	-68.4	160.2	-156.5	166.1	0	110.8	E244 E245 A250 E251 E252	E244-K248 WeakPolarHBondContact O-CD 3.48Å; E244-K248 WeakPolarHBondContact O-CE 3.14Å; E244-K248 VanDerWaalsContact O-CG 3.25Å; E244-K248 WeakPolarHBondContact O-CG 3.22Å; E244-K248 PolarHBondContact O-N 2.82Å; E244-K248 IonicContact OE2-NZ 3.71Å; E244-K248 PolarHBondContact OE2-NZ 3.05Å; E245-K248 IonicContact OE1-NZ 3.65Å; E245-K248 PolarHBondContact OE1-NZ 2.84Å; K248-A250 VanDerWaalsContact C-N 3.35Å; K248-A250 PolarHBondContact O-N 3Å; K248-E251 PolarHBondContact O-N 3.27Å; K248-E252 PolarHBondContact O-N 3.4Å
249	C	84.6	Confident	79.2	Confident	2 Å²	2	77.8 Å²	77.8	1%	0.014	39%	0.393	C	S	.	.	H	α-helix	trans	-61.3	-39.2	174.3	-176.1	0	0	0	0	112.8	E245 M246 D247 E252 L253 A381 T384	E245-C249 VanDerWaalsContact O-CB 3.28Å; E245-C249 WeakPolarHBondContact O-CB 3.29Å; E245-C249 PolarHBondContact O-N 2.88Å; M246-C249 WeakPolarHBondContact O-CB 3.38Å; M246-C249 PolarHBondContact O-N 3.07Å; D247-C249 VanDerWaalsContact C-N 3.32Å; D247-C249 PolarHBondContact O-N 2.9Å; C249-E252 PolarHBondContact O-N 3.11Å; C249-L253 WeakPolarHBondContact O-CB 3.43Å; C249-L253 VanDerWaalsContact O-CG 3.27Å; C249-L253 WeakPolarHBondContact O-CG 3.37Å; C249-L253 PolarHBondContact O-N 2.89Å; C249-A381 VanDerWaalsContact SG-CB 3.59Å; C249-T384 HydrophobicContact CB-CG2 4.11Å
250	A	81.8	Confident	80	Confident	55 Å²	55	79 Å²	79	46%	0.455	40%	0.403	S	S	.	.	H	α-helix	trans	-66.2	-38.6	175.8	0	0	0	0	0	111.5	M246 D247 K248 L253 A254	M246-A250 WeakPolarHBondContact O-CB 3.34Å; M246-A250 PolarHBondContact O-N 3.46Å; D247-A250 WeakPolarHBondContact O-CB 3.31Å; D247-A250 PolarHBondContact O-N 2.88Å; D247-A250 VanDerWaalsContact O-N 3.14Å; K248-A250 VanDerWaalsContact C-N 3.35Å; K248-A250 PolarHBondContact O-N 3Å; A250-L253 PolarHBondContact O-N 3.19Å; A250-A254 WeakPolarHBondContact O-CB 3.43Å; A250-A254 PolarHBondContact O-N 2.82Å
251	E	84.1	Confident	81.3	Confident	101 Å²	101	79.3 Å²	79.3	47%	0.472	41%	0.409	S	S	.	.	H	α-helix	trans	-68.2	-40.6	175.1	-145.9	-150	148.8	0	0	112.3	D247 K248 L253 A254 R255	D247-E251 PolarHBondContact O-N 3.33Å; K248-E251 PolarHBondContact O-N 3.27Å; E251-L253 VanDerWaalsContact C-N 3.32Å; E251-L253 PolarHBondContact O-N 2.78Å; E251-A254 PolarHBondContact O-N 2.97Å; E251-R255 WeakPolarHBondContact O-CB 3.45Å; E251-R255 VanDerWaalsContact O-CG 3.23Å; E251-R255 WeakPolarHBondContact O-CG 3.2Å; E251-R255 PolarHBondContact O-N 2.98Å; E251-R255 IonicContact OE1-CZ 3.29Å; E251-R255 IonicContact OE1-NE 2.78Å; E251-R255 PolarHBondContact OE1-NE 2.86Å; E251-R255 IonicContact OE1-NH2 2.76Å; E251-R255 PolarHBondContact OE1-NH2 3.37Å; E251-R255 IonicContact OE2-CZ 2.68Å; E251-R255 IonicContact OE2-NE 3.71Å; E251-R255 IonicContact OE2-NH2 3.02Å; E251-R255 PolarHBondContact OE2-NH2 2.74Å
252	E	85.4	Confident	82.6	Confident	47 Å²	47	75 Å²	75	22%	0.22	39%	0.389	C	S	.	.	H	α-helix	trans	-61.8	-38.4	173.3	-72.4	-159.8	138.1	0	0	112.4	K248 C249 R255 C256 L377 S380	K248-E252 PolarHBondContact O-N 3.4Å; C249-E252 PolarHBondContact O-N 3.11Å; E252-R255 PolarHBondContact O-N 2.95Å; E252-C256 VanDerWaalsContact O-CB 3.29Å; E252-C256 WeakPolarHBondContact O-CB 3.39Å; E252-C256 PolarHBondContact O-N 2.86Å; E252-L377 HydrophobicContact CB-CD2 4.13Å; E252-L377 HydrophobicContact CG-CD2 4.13Å; E252-S380 PolarHBondContact OE1-OG 2.81Å; E252-S380 WeakPolarHBondContact OE2-CB 3.27Å; E252-S380 PolarHBondContact OE2-OG 3.07Å
253	L	84.6	Confident	83.7	Confident	77 Å²	77	69 Å²	69	40%	0.403	36%	0.361	S	S	.	.	H	α-helix	trans	-68.5	-38	174.2	-71.6	169.4	0	0	0	112.2	C249 A250 E251 C256 Q257 L378 A381	C249-L253 WeakPolarHBondContact O-CB 3.43Å; C249-L253 VanDerWaalsContact O-CG 3.27Å; C249-L253 WeakPolarHBondContact O-CG 3.37Å; C249-L253 PolarHBondContact O-N 2.89Å; A250-L253 PolarHBondContact O-N 3.19Å; E251-L253 VanDerWaalsContact C-N 3.32Å; E251-L253 PolarHBondContact O-N 2.78Å; L253-C256 WeakPolarHBondContact O-CB 3.18Å; L253-C256 PolarHBondContact O-N 2.66Å; L253-Q257 PolarHBondContact O-N 3.06Å; L253-L378 HydrophobicContact CD2-CD2 4.12Å; L253-A381 HydrophobicContact CD1-CB 4.43Å; L253-A381 HydrophobicContact CD2-CB 3.84Å; L253-A381 HydrophobicContact CG-CB 3.93Å
254	A	86.8	Confident	84.2	Confident	55 Å²	55	70.9 Å²	70.9	46%	0.455	38%	0.375	S	S	.	.	H	α-helix	trans	-65.1	-43.1	173.3	0	0	0	0	0	112	A250 E251 C256 Q257 S258	A250-A254 WeakPolarHBondContact O-CB 3.43Å; A250-A254 PolarHBondContact O-N 2.82Å; E251-A254 PolarHBondContact O-N 2.97Å; A254-C256 VanDerWaalsContact C-N 3.31Å; A254-C256 PolarHBondContact O-N 2.95Å; A254-Q257 PolarHBondContact O-N 3.09Å; A254-S258 PolarHBondContact O-N 2.86Å
255	R	84.5	Confident	84.7	Confident	127 Å²	127	70.6 Å²	70.6	48%	0.479	37%	0.368	S	S	.	.	H	α-helix	trans	-61.4	-39.5	172	-68.4	166.5	-178.9	-169.1	3.6	111.1	E251 E252 S258 N259 L377	E251-R255 WeakPolarHBondContact O-CB 3.45Å; E251-R255 VanDerWaalsContact O-CG 3.23Å; E251-R255 WeakPolarHBondContact O-CG 3.2Å; E251-R255 PolarHBondContact O-N 2.98Å; E251-R255 IonicContact OE1-CZ 3.29Å; E251-R255 IonicContact OE1-NE 2.78Å; E251-R255 PolarHBondContact OE1-NE 2.86Å; E251-R255 IonicContact OE1-NH2 2.76Å; E251-R255 PolarHBondContact OE1-NH2 3.37Å; E251-R255 IonicContact OE2-CZ 2.68Å; E251-R255 IonicContact OE2-NE 3.71Å; E251-R255 IonicContact OE2-NH2 3.02Å; E251-R255 PolarHBondContact OE2-NH2 2.74Å; E252-R255 PolarHBondContact O-N 2.95Å; R255-S258 WeakPolarHBondContact O-CB 3.39Å; R255-S258 PolarHBondContact O-N 2.86Å; R255-N259 VanDerWaalsContact O-CG 3.3Å; R255-N259 PolarHBondContact O-N 2.98Å; R255-N259 PolarHBondContact O-ND2 3.1Å; R255-L377 HydrophobicContact CB-CD1 4.28Å
256	C	87.9	Confident	85.1	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.014	35%	0.352	C	S	.	.	H	α-helix	trans	-63.9	-40.3	173.7	-173.1	0	0	0	0	112.5	E252 L253 A254 S258 N259 L260 L377	E252-C256 VanDerWaalsContact O-CB 3.29Å; E252-C256 WeakPolarHBondContact O-CB 3.39Å; E252-C256 PolarHBondContact O-N 2.86Å; L253-C256 WeakPolarHBondContact O-CB 3.18Å; L253-C256 PolarHBondContact O-N 2.66Å; A254-C256 VanDerWaalsContact C-N 3.31Å; A254-C256 PolarHBondContact O-N 2.95Å; C256-S258 VanDerWaalsContact C-N 3.34Å; C256-N259 PolarHBondContact O-N 2.86Å; C256-L260 WeakPolarHBondContact O-CB 3.47Å; C256-L260 WeakPolarHBondContact O-CG 3.12Å; C256-L260 PolarHBondContact O-N 2.74Å; C256-L377 HydrophobicContact CB-CB 4.06Å; C256-L377 HydrophobicContact CB-CD1 4.15Å
257	Q	86.4	Confident	85.3	Confident	138 Å²	138	69 Å²	69	65%	0.645	36%	0.362	S	S	*	.	H	α-helix	trans	-64.8	-37.3	175.6	-176.4	177.7	-11.8	0	0	112.1	L253 A254 T261	L253-Q257 PolarHBondContact O-N 3.06Å; A254-Q257 PolarHBondContact O-N 3.09Å; Q257-T261 PolarHBondContact O-N 2.66Å; Q257-T261 PolarHBondContact O-OG1 3.2Å
258	S	88.6	Confident	85.3	Confident	75 Å²	75	69.6 Å²	69.6	52%	0.524	36%	0.361	S	S	.	.	H	α-helix	trans	-60.8	-52.1	171.1	-167.7	0	0	0	0	111.1	A254 R255 C256 L260 T261 E262	A254-S258 PolarHBondContact O-N 2.86Å; R255-S258 WeakPolarHBondContact O-CB 3.39Å; R255-S258 PolarHBondContact O-N 2.86Å; C256-S258 VanDerWaalsContact C-N 3.34Å; S258-L260 VanDerWaalsContact C-N 3.33Å; S258-L260 PolarHBondContact O-N 2.79Å; S258-T261 WeakPolarHBondContact O-CA 3.12Å; S258-T261 WeakPolarHBondContact O-CB 3.35Å; S258-T261 PolarHBondContact O-N 2.73Å; S258-E262 PolarHBondContact O-N 3.48Å
259	N	88.8	Confident	85.3	Confident	34 Å²	34	67.1 Å²	67.1	18%	0.182	36%	0.355	C	S	.	.	H	α-helix	trans	-59.7	-39.1	178.5	-68.6	-18.4	0	0	0	112.8	R255 C256 T261 E262 L263 I370 V374 L377	R255-N259 VanDerWaalsContact O-CG 3.3Å; R255-N259 PolarHBondContact O-N 2.98Å; R255-N259 PolarHBondContact O-ND2 3.1Å; C256-N259 PolarHBondContact O-N 2.86Å; N259-T261 VanDerWaalsContact C-N 3.32Å; N259-T261 PolarHBondContact O-N 3.39Å; N259-E262 PolarHBondContact O-N 2.94Å; N259-L263 VanDerWaalsContact O-CB 3.25Å; N259-L263 WeakPolarHBondContact O-CB 3.3Å; N259-L263 PolarHBondContact O-N 3.04Å; N259-I370 HydrophobicContact CB-CG2 3.92Å; N259-I370 VanDerWaalsContact O-CG2 3.27Å; N259-I370 WeakPolarHBondContact O-CG2 3.46Å; N259-V374 HydrophobicContact CB-CG2 3.55Å; N259-L377 WeakPolarHBondContact ND2-CD1 3.45Å
260	L	84.1	Confident	85	Confident	83 Å²	83	67.9 Å²	67.9	44%	0.435	36%	0.359	S	S	.	.	H	α-helix	trans	-64.7	-34.6	173.6	-78.9	167.7	0	0	0	112.7	C256 S258 S264 V374	C256-L260 WeakPolarHBondContact O-CB 3.47Å; C256-L260 WeakPolarHBondContact O-CG 3.12Å; C256-L260 PolarHBondContact O-N 2.74Å; S258-L260 VanDerWaalsContact C-N 3.33Å; S258-L260 PolarHBondContact O-N 2.79Å; L260-S264 WeakPolarHBondContact O-CB 3.41Å; L260-S264 PolarHBondContact O-N 3.47Å; L260-V374 HydrophobicContact CD2-CG1 3.79Å; L260-V374 HydrophobicContact CD2-CG2 4.17Å; L260-V374 HydrophobicContact CG-CG1 4.03Å; L260-V374 HydrophobicContact CG-CG2 4Å
261	T	88.4	Confident	84.8	Confident	92 Å²	92	69 Å²	69	56%	0.564	36%	0.355	S	S	*	.	H	α-helix	trans	-69.7	-40.8	176.1	-55.1	0	0	0	0	110.8	Q257 S258 N259 S264 R265	Q257-T261 PolarHBondContact O-N 2.66Å; Q257-T261 PolarHBondContact O-OG1 3.2Å; S258-T261 WeakPolarHBondContact O-CA 3.12Å; S258-T261 WeakPolarHBondContact O-CB 3.35Å; S258-T261 PolarHBondContact O-N 2.73Å; N259-T261 VanDerWaalsContact C-N 3.32Å; N259-T261 PolarHBondContact O-N 3.39Å; T261-S264 WeakPolarHBondContact O-CB 3.4Å; T261-S264 PolarHBondContact O-N 3.02Å; T261-R265 PolarHBondContact O-N 2.87Å
262	E	87.6	Confident	84.3	Confident	77 Å²	77	69.3 Å²	69.3	36%	0.36	36%	0.359	S	S	.	.	H	α-helix	trans	-68.9	-40.3	174.4	-176.9	153.3	-129.5	0	0	112.8	S258 N259 S264 R265 L266 I370	S258-E262 PolarHBondContact O-N 3.48Å; N259-E262 PolarHBondContact O-N 2.94Å; E262-S264 VanDerWaalsContact C-N 3.27Å; E262-S264 PolarHBondContact O-N 3.28Å; E262-R265 CarbonylContact O-C 3.58Å; E262-R265 WeakPolarHBondContact O-CA 3.33Å; E262-R265 WeakPolarHBondContact O-CB 3.4Å; E262-R265 PolarHBondContact O-N 3.03Å; E262-R265 IonicContact OE1-CZ 3.69Å; E262-R265 IonicContact OE1-NE 3.32Å; E262-R265 IonicContact OE1-NH2 2.98Å; E262-R265 PolarHBondContact OE1-NH2 2.8Å; E262-L266 HydrophobicContact CG-CD1 4.46Å; E262-L266 HydrophobicContact CG-CG 4.48Å; E262-L266 WeakPolarHBondContact O-CG 3.44Å; E262-L266 PolarHBondContact O-N 3.28Å; E262-I370 HydrophobicContact CB-CD1 4.31Å; E262-I370 HydrophobicContact CG-CD1 3.65Å
263	L	87.3	Confident	83.4	Confident	31 Å²	31	68.7 Å²	68.7	16%	0.162	36%	0.357	C	S	.	.	H	α-helix	trans	-58.9	-39.2	173.5	-173.7	152.7	0	0	0	111.6	N259 L266 L267 F367 I370 A371	N259-L263 VanDerWaalsContact O-CB 3.25Å; N259-L263 WeakPolarHBondContact O-CB 3.3Å; N259-L263 PolarHBondContact O-N 3.04Å; L263-L266 PolarHBondContact O-N 3.16Å; L263-L267 WeakPolarHBondContact O-CB 3.49Å; L263-L267 PolarHBondContact O-N 3.47Å; L263-F367 HydrophobicContact CD1-CE2 4.44Å; L263-F367 HydrophobicContact CD2-CD2 4.28Å; L263-F367 HydrophobicContact CD2-CE2 3.42Å; L263-F367 VanDerWaalsContact CD2-CE2 3.42Å; L263-F367 HydrophobicContact CD2-CZ 3.77Å; L263-F367 HydrophobicContact CG-CD2 3.89Å; L263-F367 HydrophobicContact CG-CE2 3.52Å; L263-F367 HydrophobicContact CG-CZ 4.04Å; L263-I370 HydrophobicContact CB-CG2 4.05Å; L263-I370 HydrophobicContact CD1-CG2 4.45Å; L263-A371 HydrophobicContact CD1-CB 3.73Å
264	S	83.8	Confident	82.1	Confident	55 Å²	55	70.2 Å²	70.2	39%	0.385	36%	0.362	S	S	.	.	H	α-helix	trans	-65.4	-37.2	172.3	-172.5	0	0	0	0	112.8	L260 T261 E262 Q268	L260-S264 WeakPolarHBondContact O-CB 3.41Å; L260-S264 PolarHBondContact O-N 3.47Å; T261-S264 WeakPolarHBondContact O-CB 3.4Å; T261-S264 PolarHBondContact O-N 3.02Å; E262-S264 VanDerWaalsContact C-N 3.27Å; E262-S264 PolarHBondContact O-N 3.28Å; S264-Q268 WeakPolarHBondContact O-CG 3.2Å; S264-Q268 PolarHBondContact O-N 3.06Å; S264-Q268 VanDerWaalsContact O-N 3.14Å
265	R	85.9	Confident	80.7	Confident	125 Å²	125	74.8 Å²	74.8	47%	0.472	37%	0.367	S	S	.	.	H	α-helix	trans	-65	-46.8	173.7	-175.3	-176.4	69.6	82.6	-4.6	111.6	T261 E262 L267 Q268 S269	T261-R265 PolarHBondContact O-N 2.87Å; E262-R265 CarbonylContact O-C 3.58Å; E262-R265 WeakPolarHBondContact O-CA 3.33Å; E262-R265 WeakPolarHBondContact O-CB 3.4Å; E262-R265 PolarHBondContact O-N 3.03Å; E262-R265 IonicContact OE1-CZ 3.69Å; E262-R265 IonicContact OE1-NE 3.32Å; E262-R265 IonicContact OE1-NH2 2.98Å; E262-R265 PolarHBondContact OE1-NH2 2.8Å; R265-L267 VanDerWaalsContact C-N 3.34Å; R265-L267 PolarHBondContact O-N 3.4Å; R265-Q268 PolarHBondContact O-N 3.29Å; R265-S269 PolarHBondContact O-N 3.42Å; R265-S269 PolarHBondContact O-OG 2.88Å
266	L	86.1	Confident	79.2	Confident	1 Å²	1	73.4 Å²	73.4	1%	0.005	37%	0.373	C	S	.	.	H	α-helix	trans	-61.9	-41.2	177.3	-70.5	175.3	0	0	0	111.8	E262 L263 Q268 S269 L270 L363 E366 F367 I370	E262-L266 HydrophobicContact CG-CD1 4.46Å; E262-L266 HydrophobicContact CG-CG 4.48Å; E262-L266 WeakPolarHBondContact O-CG 3.44Å; E262-L266 PolarHBondContact O-N 3.28Å; L263-L266 PolarHBondContact O-N 3.16Å; L266-Q268 VanDerWaalsContact C-N 3.33Å; L266-Q268 PolarHBondContact O-N 2.84Å; L266-S269 PolarHBondContact O-N 2.66Å; L266-L270 WeakPolarHBondContact O-CG 3.44Å; L266-L270 PolarHBondContact O-N 3.16Å; L266-L363 HydrophobicContact CD2-CD2 3.51Å; L266-E366 HydrophobicContact CD1-CB 4.09Å; L266-F367 HydrophobicContact CB-CB 4.35Å; L266-F367 HydrophobicContact CB-CD2 4.07Å; L266-F367 HydrophobicContact CD1-CB 4.27Å; L266-I370 HydrophobicContact CD1-CD1 3.84Å
267	L	81.9	Confident	77.4	Confident	79 Å²	79	80.4 Å²	80.4	41%	0.414	41%	0.406	S	S	.	.	H	α-helix	trans	-58.8	-44.2	174.3	-170.4	63.9	0	0	0	111.7	L263 R265 L270 E271 F367	L263-L267 WeakPolarHBondContact O-CB 3.49Å; L263-L267 PolarHBondContact O-N 3.47Å; R265-L267 VanDerWaalsContact C-N 3.34Å; R265-L267 PolarHBondContact O-N 3.4Å; L267-L270 PolarHBondContact O-N 3.4Å; L267-E271 WeakPolarHBondContact O-CB 3.41Å; L267-E271 PolarHBondContact O-N 2.8Å; L267-F367 HydrophobicContact CB-CE2 4Å; L267-F367 HydrophobicContact CD1-CE2 4.15Å; L267-F367 HydrophobicContact CD1-CZ 4.4Å
268	Q	80.8	Confident	75.3	Confident	116 Å²	116	78.2 Å²	78.2	54%	0.542	41%	0.406	S	S	.	.	H	α-helix	trans	-64.6	-38.5	176.2	-70.9	172.8	28.2	0	0	112.4	S264 R265 L266 E271 I272	S264-Q268 WeakPolarHBondContact O-CG 3.2Å; S264-Q268 PolarHBondContact O-N 3.06Å; S264-Q268 VanDerWaalsContact O-N 3.14Å; R265-Q268 PolarHBondContact O-N 3.29Å; L266-Q268 VanDerWaalsContact C-N 3.33Å; L266-Q268 PolarHBondContact O-N 2.84Å; Q268-E271 PolarHBondContact O-N 3.05Å; Q268-I272 WeakPolarHBondContact O-CD1 3.49Å; Q268-I272 VanDerWaalsContact O-CG1 3.24Å; Q268-I272 WeakPolarHBondContact O-CG1 3.35Å; Q268-I272 PolarHBondContact O-N 3.27Å
269	S	82.1	Confident	72.8	Confident	38 Å²	38	78 Å²	78	27%	0.266	41%	0.409	S	S	.	.	H	α-helix	trans	-63.4	-44.8	174.3	-67.8	0	0	0	0	112.5	R265 L266 I272 L273	R265-S269 PolarHBondContact O-N 3.42Å; R265-S269 PolarHBondContact O-OG 2.88Å; L266-S269 PolarHBondContact O-N 2.66Å; S269-I272 PolarHBondContact O-N 3.21Å; S269-L273 PolarHBondContact O-N 2.7Å; S269-L273 VanDerWaalsContact O-N 3.11Å
270	L	79.4	Confident	70.4	Confident	17 Å²	17	81.9 Å²	81.9	9%	0.089	44%	0.435	C	S	.	.	H	α-helix	trans	-61.7	-43.1	174	-71.1	165.3	0	0	0	111.5	L266 L267 I272 L273 Q274 Y360 L363 F367	L266-L270 WeakPolarHBondContact O-CG 3.44Å; L266-L270 PolarHBondContact O-N 3.16Å; L267-L270 PolarHBondContact O-N 3.4Å; L270-I272 VanDerWaalsContact C-N 3.28Å; L270-I272 PolarHBondContact O-N 2.67Å; L270-L273 PolarHBondContact O-N 3.01Å; L270-Q274 WeakPolarHBondContact O-CB 3.23Å; L270-Q274 PolarHBondContact O-N 2.94Å; L270-Y360 HydrophobicContact CB-CE2 4.43Å; L270-Y360 HydrophobicContact CD2-CD2 3.75Å; L270-Y360 HydrophobicContact CD2-CE2 3.62Å; L270-Y360 HydrophobicContact CD2-CG 4.26Å; L270-L363 HydrophobicContact CD2-CB 3.65Å; L270-L363 HydrophobicContact CG-CB 4.06Å; L270-F367 HydrophobicContact CD1-CB 4.37Å
271	E	75.6	Confident	67.8	Low	78 Å²	78	85.4 Å²	85.4	36%	0.364	46%	0.455	S	S	.	.	H	α-helix	trans	-64	-26.9	176.1	-100.7	-157.5	-117.5	0	0	114	L267 Q268 R275	L267-E271 WeakPolarHBondContact O-CB 3.41Å; L267-E271 PolarHBondContact O-N 2.8Å; Q268-E271 PolarHBondContact O-N 3.05Å; E271-R275 WeakPolarHBondContact O-CG 3.5Å; E271-R275 PolarHBondContact O-NH1 3.24Å; E271-R275 IonicContact OE2-CZ 3.78Å; E271-R275 IonicContact OE2-NH1 3.9Å; E271-R275 PolarHBondContact OE2-NH1 2.97Å; E271-R275 IonicContact OE2-NH2 2.81Å; E271-R275 PolarHBondContact OE2-NH2 3.04Å
272	I	75.5	Confident	65.2	Low	109 Å²	109	90.6 Å²	90.6	56%	0.559	47%	0.47	S	S	*	.	H	α-helix	trans	-78.3	-48.1	175.6	-72.6	163	0	0	0	110.2	Q268 S269 L270 Q274 R275 T276	Q268-I272 WeakPolarHBondContact O-CD1 3.49Å; Q268-I272 VanDerWaalsContact O-CG1 3.24Å; Q268-I272 WeakPolarHBondContact O-CG1 3.35Å; Q268-I272 PolarHBondContact O-N 3.27Å; S269-I272 PolarHBondContact O-N 3.21Å; L270-I272 VanDerWaalsContact C-N 3.28Å; L270-I272 PolarHBondContact O-N 2.67Å; I272-Q274 VanDerWaalsContact C-N 3.3Å; I272-Q274 PolarHBondContact O-N 2.89Å; I272-R275 PolarHBondContact O-N 3.11Å; I272-R275 VanDerWaalsContact O-N 3.08Å; I272-T276 PolarHBondContact O-N 3.1Å; I272-T276 VanDerWaalsContact O-N 3.15Å; I272-T276 PolarHBondContact O-OG1 2.89Å
273	L	66	Low	62.8	Low	34 Å²	34	92.6 Å²	92.6	18%	0.178	49%	0.488	C	S	.	.	H	α-helix	trans	-59.1	-39.1	177.2	-75	167.6	0	0	0	112.5	S269 L270 R275 T276 Q277 Y356 Y360 L363	S269-L273 PolarHBondContact O-N 2.7Å; S269-L273 VanDerWaalsContact O-N 3.11Å; L270-L273 PolarHBondContact O-N 3.01Å; L273-R275 VanDerWaalsContact C-N 3.29Å; L273-R275 PolarHBondContact O-N 3.18Å; L273-T276 PolarHBondContact O-N 3.12Å; L273-T276 PolarHBondContact O-OG1 3.34Å; L273-Q277 PolarHBondContact O-N 3.46Å; L273-Y356 HydrophobicContact CD2-CD1 4.13Å; L273-Y360 HydrophobicContact CB-CD2 4.12Å; L273-Y360 HydrophobicContact CD1-CD2 4.29Å; L273-L363 HydrophobicContact CD1-CD1 3.48Å; L273-L363 VanDerWaalsContact CD1-CD1 3.48Å
274	Q	58	Low	60.2	Low	109 Å²	109	99 Å²	99	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-68	-29.5	177.4	-164.1	174.5	24.4	0	0	112.6	L270 I272 S278	L270-Q274 WeakPolarHBondContact O-CB 3.23Å; L270-Q274 PolarHBondContact O-N 2.94Å; I272-Q274 VanDerWaalsContact C-N 3.3Å; I272-Q274 PolarHBondContact O-N 2.89Å; Q274-S278 PolarHBondContact O-OG 3.32Å
275	R	56.1	Low	57.9	Low	150 Å²	150	105 Å²	105	57%	0.566	55%	0.546	S	S	*	.	H	α-helix	trans	-76.5	-34.7	176.3	-76.3	-178.1	-177.3	90	-5.7	112.9	E271 I272 L273 Q277 S278	E271-R275 WeakPolarHBondContact O-CG 3.5Å; E271-R275 PolarHBondContact O-NH1 3.24Å; E271-R275 IonicContact OE2-CZ 3.78Å; E271-R275 IonicContact OE2-NH1 3.9Å; E271-R275 PolarHBondContact OE2-NH1 2.97Å; E271-R275 IonicContact OE2-NH2 2.81Å; E271-R275 PolarHBondContact OE2-NH2 3.04Å; I272-R275 PolarHBondContact O-N 3.11Å; I272-R275 VanDerWaalsContact O-N 3.08Å; L273-R275 VanDerWaalsContact C-N 3.29Å; L273-R275 PolarHBondContact O-N 3.18Å; R275-Q277 VanDerWaalsContact C-N 3.32Å; R275-Q277 PolarHBondContact O-N 3.19Å; R275-S278 PolarHBondContact O-N 2.99Å; R275-S278 VanDerWaalsContact O-N 3.09Å
276	T	53.8	Low	55.3	Low	98 Å²	98	108.8 Å²	108.8	60%	0.601	57%	0.569	S	S	*	*	H	α-helix	trans	-69.2	-27.6	176.7	41.4	0	0	0	0	113.3	I272 L273 S278	I272-T276 PolarHBondContact O-N 3.1Å; I272-T276 VanDerWaalsContact O-N 3.15Å; I272-T276 PolarHBondContact O-OG1 2.89Å; L273-T276 PolarHBondContact O-N 3.12Å; L273-T276 PolarHBondContact O-OG1 3.34Å; T276-S278 PolarHBondContact O-N 3.07Å
277	Q	50.1	Low	52.6	Low	149 Å²	149	112.8 Å²	112.8	70%	0.696	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-13.7	169.7	-68.8	-175.2	-4.3	0	0	114.1	L273 R275	L273-Q277 PolarHBondContact O-N 3.46Å; R275-Q277 VanDerWaalsContact C-N 3.32Å; R275-Q277 PolarHBondContact O-N 3.19Å
278	S	42.6	Very low	50	Low	93 Å²	93	116.4 Å²	116.4	65%	0.65	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.8	6.8	-167.1	-60.3	0	0	0	0	114.9	Q274 R275 T276	Q274-S278 PolarHBondContact O-OG 3.32Å; R275-S278 PolarHBondContact O-N 2.99Å; R275-S278 VanDerWaalsContact O-N 3.09Å; T276-S278 PolarHBondContact O-N 3.07Å
279	A	35.1	Very low	47.3	Very low	71 Å²	71	116.7 Å²	116.7	59%	0.587	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-100.4	130	-175	0	0	0	0	0	112.5
280	P	37.6	Very low	44.9	Very low	114 Å²	114	121.2 Å²	121.2	74%	0.74	66%	0.661	S	S	*	*	P	Polyproline II helix	trans	-76.5	131.2	175.6	30.4	-33.3	0	0	0	111.5	F282	P280-F282 PolarHBondContact O-N 2.81Å
281	N	31	Very low	42.3	Very low	158 Å²	158	128.9 Å²	128.9	85%	0.845	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-64.1	127.8	174.4	-84	-25.3	0	0	0	111.2
282	F	34.2	Very low	40	Very low	200 Å²	200	133.6 Å²	133.6	88%	0.877	72%	0.724	S	S	*	*			trans	-115.5	58.8	-174.9	-141.2	-78.8	0	0	0	112.1	P280	P280-F282 PolarHBondContact O-N 2.81Å
283	T	36.1	Very low	37.7	Very low	120 Å²	120	133 Å²	133	74%	0.736	73%	0.729	S	S	*	*			trans	-139.3	68.7	178.8	47.4	0	0	0	0	111.5
284	D	33.6	Very low	36.1	Very low	164 Å²	164	140.8 Å²	140.8	88%	0.877	76%	0.762	S	S	*	*			trans	-163.3	82.2	159.3	-109.7	-27.3	0	0	0	111.6
285	M	35.3	Very low	34.7	Very low	183 Å²	183	145.5 Å²	145.5	90%	0.901	78%	0.781	S	S	*	*			trans	-172.3	54.1	164.9	-98.6	-106.7	76	0	0	110.7
286	Q	31.1	Very low	33.4	Very low	203 Å²	203	145.2 Å²	145.2	95%	0.949	79%	0.785	S	S	*	*			trans	-149.1	85.8	170.5	-150.2	165.7	70.3	0	0	113.3
287	A	29.6	Very low	32.2	Very low	86 Å²	86	149 Å²	149	71%	0.711	79%	0.793	S	S	*	*			trans	-141.4	141.9	167.2	0	0	0	0	0	109.6
288	N	26.6	Very low	31.1	Very low	154 Å²	154	153 Å²	153	82%	0.824	80%	0.802	S	S	*	*			trans	66.3	99.6	-179.7	-54.2	-29.3	0	0	0	114.7
289	C	25.1	Very low	30.4	Very low	122 Å²	122	155.1 Å²	155.1	82%	0.824	81%	0.806	S	S	*	*				89.3	140.9	89.6	-102.7	0	0	0	0	113.1
290	V	29.8	Very low	30	Very low	133 Å²	133	157.7 Å²	157.7	81%	0.806	81%	0.809	S	S	*	*			cis	-135.8	165.5	12.1	-176.6	0	0	0	0	110.3
291	E	26	Very low	29.6	Very low	178 Å²	178	163.1 Å²	163.1	83%	0.832	82%	0.815	S	S	*	*			trans	-59	156.5	171.2	-58.8	179.4	91.1	0	0	115.4
292	L	27.6	Very low	29.3	Very low	178 Å²	178	165.5 Å²	165.5	93%	0.932	81%	0.812	S	S	*	*			trans	-161.5	166.8	132	-108.1	170.5	0	0	0	111.1
293	S	27.2	Very low	28.8	Very low	96 Å²	96	164.3 Å²	164.3	67%	0.671	80%	0.802	S	S	*	*			trans	-119.5	147.9	-146.6	71.1	0	0	0	0	119.2
294	K	31.9	Very low	28.3	Very low	197 Å²	197	167.3 Å²	167.3	86%	0.857	80%	0.8	S	S	*	*			trans	31.9	115.2	146.9	-61.8	173.6	-179.4	172.3	0	119.9
295	K	28.6	Very low	28	Very low	209 Å²	209	164.6 Å²	164.6	91%	0.909	79%	0.79	S	S	*	*				-172.2	153.9	120.7	-108.6	166.4	-176.8	174.5	0	116.7
296	E	27.7	Very low	27.4	Very low	143 Å²	143	165.2 Å²	165.2	67%	0.668	79%	0.787	S	S	*	*			trans	-55.4	148.4	174.3	-41.8	166.6	100.6	0	0	115.3
297	K	29.6	Very low	27.2	Very low	177 Å²	177	159.7 Å²	159.7	77%	0.77	77%	0.771	S	S	*	*				172.1	168.2	94.9	-112	137.1	-177.4	149.1	0	114.4
298	R	27.6	Very low	27	Very low	233 Å²	233	162.6 Å²	162.6	88%	0.879	78%	0.779	S	S	*	*			trans	-67.1	163.7	167.9	-72.9	173.7	174.1	163.3	-3.3	110.6
299	L	26.3	Very low	27	Very low	138 Å²	138	158.2 Å²	158.2	72%	0.723	77%	0.771	S	S	*	*			cis	-165.2	153.9	20.2	-131.3	157.3	0	0	0	111.6
300	N	27.5	Very low	27.1	Very low	125 Å²	125	162.1 Å²	162.1	67%	0.668	77%	0.774	S	S	*	*			trans	30.2	125.5	156.1	-90.2	-33.3	0	0	0	125.2
301	R	29.4	Very low	27.1	Very low	229 Å²	229	162.8 Å²	162.8	86%	0.864	77%	0.773	S	S	*	*			trans	65.1	126.5	133.8	-70.5	-179.8	168.4	-175.1	-3.2	122.9
302	R	24.8	Very low	27.3	Very low	207 Å²	207	159.4 Å²	159.4	78%	0.781	78%	0.775	S	S	*	*				123.4	131.6	119.8	-143.4	-176.2	-175.8	-169.1	-0.2	118.5
303	W	23.3	Very low	27.3	Very low	176 Å²	176	160.2 Å²	160.2	67%	0.667	77%	0.771	S	S	*	*			trans	80.4	121.7	153.4	-73	144.5	0	0	0	125
304	R	25.3	Very low	27.4	Very low	182 Å²	182	165.2 Å²	165.2	69%	0.687	78%	0.782	S	S	*	*				72.6	109.9	126.6	-70.8	-151.6	-169.8	-116.6	6.9	124.9
305	T	27	Very low	27.1	Very low	108 Å²	108	163.2 Å²	163.2	66%	0.663	78%	0.775	S	S	*	*				78.6	147.1	119.9	63.2	0	0	0	0	124.1
306	K	24.4	Very low	27.2	Very low	196 Å²	196	160.3 Å²	160.3	85%	0.852	77%	0.769	S	S	*	*			trans	77.6	152.2	158.7	-74.9	-175.7	178	-176.4	0	118.3
307	S	25.9	Very low	27.1	Very low	87 Å²	87	161.7 Å²	161.7	61%	0.608	78%	0.775	S	S	*	*			cis	176.8	145.3	-37.1	50.9	0	0	0	0	110.6
308	V	26.2	Very low	27.1	Very low	146 Å²	146	159.6 Å²	159.6	89%	0.885	78%	0.777	S	S	*	*			trans	69.7	141.7	171.1	-170	0	0	0	0	114
309	G	26.4	Very low	27.8	Very low	63 Å²	63	154 Å²	154	65%	0.649	77%	0.771	S	S	*	*			cis	127.7	137.5	-5.3	0	0	0	0	0	113.2
310	K	27.4	Very low	27.8	Very low	204 Å²	204	155.1 Å²	155.1	89%	0.887	78%	0.777	S	S	*	*			trans	-175.8	164.1	156.7	-112.4	179.1	178.7	-175.6	0	116.7
311	D	29.2	Very low	27.8	Very low	147 Å²	147	154 Å²	154	79%	0.786	78%	0.779	S	S	*	*			trans	-68.3	159.8	-169.7	-43.1	-86	0	0	0	118.4
312	A	29.4	Very low	27.7	Very low	106 Å²	106	147.6 Å²	147.6	88%	0.876	78%	0.775	S	S	*	*			trans	-153.6	151.9	142.2	0	0	0	0	0	111.1
313	K	28	Very low	27.8	Very low	195 Å²	195	142.3 Å²	142.3	85%	0.848	77%	0.77	S	S	*	*			trans	-105.6	156	175.8	-62.7	176.2	179	176.3	0	110.9
314	F	29.7	Very low	28.1	Very low	202 Å²	202	142.1 Å²	142.1	89%	0.886	78%	0.778	S	S	*	*			trans	-154.8	-177.2	138.2	-109.2	-69.6	0	0	0	111.5
315	Q	25.7	Very low	28.1	Very low	154 Å²	154	138.6 Å²	138.6	72%	0.72	78%	0.781	S	S	*	*			trans	-125.1	-175.2	-157.8	-58.8	168.7	-84.4	0	0	113.2
316	L	29.7	Very low	29	Very low	149 Å²	149	138.2 Å²	138.2	78%	0.78	78%	0.781	S	S	*	*			trans	79.2	145.8	162.2	-60.2	157.5	0	0	0	115.7
317	Q	27.3	Very low	29.2	Very low	172 Å²	172	134.4 Å²	134.4	80%	0.804	77%	0.774	S	S	*	*			cis	-156.9	171.8	-15.5	-173.1	163.3	-1.4	0	0	109.9
318	V	27.9	Very low	29.3	Very low	133 Å²	133	140 Å²	140	81%	0.806	78%	0.782	S	S	*	*			trans	-82.2	144.6	-174.4	176.2	0	0	0	0	112.9
319	P	43.3	Very low	29.4	Very low	115 Å²	115	139.6 Å²	139.6	75%	0.747	77%	0.773	S	S	*	*			trans	-94.9	172.2	-177.7	39	-38.4	0	0	0	114.5
320	L	26.4	Very low	29.5	Very low	162 Å²	162	145.1 Å²	145.1	85%	0.848	78%	0.782	S	S	*	*			trans	-165.7	155.8	162.4	-113	170.2	0	0	0	113.9
321	S	26.7	Very low	29.4	Very low	101 Å²	101	140.3 Å²	140.3	71%	0.706	77%	0.774	S	S	*	*			trans	69.1	119.5	159.3	-60	0	0	0	0	118.3
322	A	26.9	Very low	29.6	Very low	95 Å²	95	138.4 Å²	138.4	79%	0.785	77%	0.772	S	S	*	*				98.7	146	65.7	0	0	0	0	0	111.5
323	S	26.9	Very low	29.5	Very low	96 Å²	96	140.9 Å²	140.9	67%	0.671	77%	0.771	S	S	*	*			cis	-171.5	172.2	-8.5	48.2	0	0	0	0	111.4
324	M	29.6	Very low	30.4	Very low	172 Å²	172	136.4 Å²	136.4	85%	0.847	76%	0.761	S	S	*	*			trans	80.5	156	161.9	-60.3	-62	100.5	0	0	119.3
325	S	27	Very low	30.5	Very low	107 Å²	107	134 Å²	134	75%	0.748	76%	0.758	S	S	*	*			trans	-135.8	-159.6	-175.9	61.4	0	0	0	0	107.3
326	P	45.3	Very low	30.8	Very low	101 Å²	101	134.6 Å²	134.6	66%	0.656	77%	0.765	S	S	*	*			cis	-138.4	-167.4	-6.3	31	-5.9	0	0	0	114.7
327	V	27.7	Very low	30.7	Very low	116 Å²	116	133.3 Å²	133.3	70%	0.703	77%	0.768	S	S	*	*			trans	62.8	159.7	162.6	-107.6	0	0	0	0	117.9
328	R	29.1	Very low	30.8	Very low	205 Å²	205	129.1 Å²	129.1	77%	0.774	76%	0.762	S	S	*	*			cis	-147	159.6	-3.1	-171.7	163.3	-80.5	-150.1	-2.8	111.5
329	L	28.2	Very low	31	Very low	136 Å²	136	131.2 Å²	131.2	71%	0.712	76%	0.763	S	S	*	*			trans	-21.3	152.4	164	-51.4	164.8	0	0	0	118.4
330	H	27.5	Very low	30.4	Very low	179 Å²	179	132.3 Å²	132.3	83%	0.829	76%	0.762	S	S	*	*				-171.2	176.2	104.5	-97.1	-68.1	0	0	0	112.1
331	S	27.1	Very low	30.6	Very low	103 Å²	103	128.1 Å²	128.1	72%	0.72	76%	0.758	S	S	*	*			trans	-137.3	171.1	-168	63.1	0	0	0	0	113.3
332	S	32.3	Very low	30.7	Very low	107 Å²	107	129.2 Å²	129.2	75%	0.748	76%	0.756	S	S	*	*			trans	90.8	102.7	160.4	-46.7	0	0	0	0	119.5
333	N	28	Very low	30.7	Very low	158 Å²	158	136.1 Å²	136.1	85%	0.845	76%	0.763	S	S	*	*				13.3	162.3	120.4	-78.7	-1.3	0	0	0	121.5
334	P	47.1	Very low	30.9	Very low	101 Å²	101	140.1 Å²	140.1	66%	0.656	77%	0.771	S	S	*	*			cis	-146.5	178.8	-16.4	39	-18.6	0	0	0	118.3
335	N	30.3	Very low	31.5	Very low	151 Å²	151	136.5 Å²	136.5	81%	0.807	76%	0.76	S	S	*	*			trans	76.2	154.8	144.3	-72.7	-8.2	0	0	0	125
336	L	32.8	Very low	31.6	Very low	167 Å²	167	137.5 Å²	137.5	87%	0.874	76%	0.764	S	S	*	*			trans	71.5	130.4	173.2	-60.4	170.6	0	0	0	117.2
337	C	26.7	Very low	31.1	Very low	123 Å²	123	139 Å²	139	83%	0.831	77%	0.772	S	S	*	*			cis	109.8	112.8	3.4	-166.9	0	0	0	0	116.2
338	A	31.1	Very low	31.9	Very low	83 Å²	83	137.9 Å²	137.9	69%	0.686	77%	0.769	S	S	*	*			trans	168.2	117.4	154.1	0	0	0	0	0	108.4
339	E	31.3	Very low	32.5	Very low	178 Å²	178	138.8 Å²	138.8	83%	0.832	77%	0.772	S	S	*	*				76.3	141.8	99.8	-68	-162.5	151.8	0	0	115.6
340	L	30.8	Very low	32.9	Very low	138 Å²	138	139.3 Å²	139.3	72%	0.723	78%	0.775	S	S	*	*			cis	-150.7	168.2	-6.1	-152.9	75.5	0	0	0	109.7
341	G	29.5	Very low	33.4	Very low	74 Å²	74	133.5 Å²	133.5	76%	0.763	75%	0.754	S	S	*	*			trans	167.5	85.3	172.8	0	0	0	0	0	114.5
342	D	29.6	Very low	34.1	Very low	123 Å²	123	132.8 Å²	132.8	66%	0.658	74%	0.743	S	S	*	*			trans	-79.2	143.4	-163.8	-60.1	-81.6	0	0	0	117.2
343	Y	27.3	Very low	34.8	Very low	241 Å²	241	132.2 Å²	132.2	95%	0.945	74%	0.738	S	S	*	*			trans	-140.4	133.9	146.4	-100.8	-87.2	0	0	0	109
344	Q	31.6	Very low	35.8	Very low	179 Å²	179	129.7 Å²	129.7	84%	0.836	73%	0.728	S	S	*	*			trans	-120.5	165.2	-169.5	-129.8	-161	11.7	0	0	111.3
345	P	41.1	Very low	35.9	Very low	96 Å²	96	130.2 Å²	130.2	62%	0.623	72%	0.722	S	S	*	*				-128.1	170.3	-83.1	41.2	-29.7	0	0	0	114
346	P	29.1	Very low	37	Very low	128 Å²	128	129.7 Å²	129.7	83%	0.831	71%	0.71	S	S	*	*			trans	-97.4	150.8	152.4	34.2	-27.5	0	0	0	112.1
347	V	35.9	Very low	38.2	Very low	134 Å²	134	123.9 Å²	123.9	81%	0.812	69%	0.686	S	S	*	*			trans	-81.3	133.3	-165.1	172	0	0	0	0	114.2
348	S	43.7	Very low	39.9	Very low	92 Å²	92	121.5 Å²	121.5	64%	0.643	67%	0.671	S	S	*	*			trans	41.2	112.4	159.3	68.7	0	0	0	0	121
349	R	40.6	Very low	41.7	Very low	224 Å²	224	121.4 Å²	121.4	85%	0.845	66%	0.659	S	S	*	*			trans	-153	43.9	149	-71.3	-157.7	-179.1	174.9	1.1	113.4
350	L	37.3	Very low	43.8	Very low	147 Å²	147	115.9 Å²	115.9	77%	0.77	63%	0.631	S	S	*	*	S	Bend	trans	-123.5	-6.9	179	-74.7	176	0	0	0	114.9
351	S	39.1	Very low	46	Very low	56 Å²	56	116 Å²	116	39%	0.392	63%	0.625	S	S	.	*	S	Bend	trans	-56.4	-50.8	163.7	27.4	0	0	0	0	111.2	S353 V354 E355	S351-S353 PolarHBondContact O-N 2.96Å; S351-V354 PolarHBondContact O-N 2.88Å; S351-E355 PolarHBondContact O-N 2.56Å
352	D	41.2	Very low	48.6	Very low	89 Å²	89	117.6 Å²	117.6	48%	0.476	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.4	-11.1	-162.3	-45.6	20.2	0	0	0	113.9	Y356	D352-Y356 WeakPolarHBondContact O-CD2 3.34Å
353	S	46.8	Very low	51.1	Low	94 Å²	94	113.2 Å²	113.2	66%	0.657	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.6	-14	176.7	-168.3	0	0	0	0	113.9	S351	S351-S353 PolarHBondContact O-N 2.96Å
354	V	48.6	Very low	53.6	Low	105 Å²	105	106 Å²	106	64%	0.636	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.6	-40.5	178.3	-178.5	0	0	0	0	110.1	S351 Y356 A357 S358	S351-V354 PolarHBondContact O-N 2.88Å; V354-Y356 PolarHBondContact O-N 3.01Å; V354-A357 PolarHBondContact O-N 3.29Å; V354-S358 PolarHBondContact O-N 3.38Å; V354-S358 VanDerWaalsContact O-N 3.12Å
355	E	50.3	Low	56.1	Low	113 Å²	113	103.9 Å²	103.9	53%	0.528	55%	0.553	S	S	.	*	H	α-helix	trans	-60.3	-47.3	178.7	-66.6	176.7	150.4	0	0	111.9	S351 A357 S358 D359	S351-E355 PolarHBondContact O-N 2.56Å; E355-A357 VanDerWaalsContact C-N 3.26Å; E355-A357 PolarHBondContact O-N 2.81Å; E355-S358 WeakPolarHBondContact O-CB 3.49Å; E355-S358 PolarHBondContact O-N 2.98Å; E355-S358 VanDerWaalsContact O-N 3.09Å; E355-D359 PolarHBondContact O-N 2.89Å
356	Y	53	Low	58.3	Low	140 Å²	140	103 Å²	103	55%	0.549	54%	0.541	S	S	.	.	H	α-helix	trans	-64.3	-26.8	-179.8	-79.1	-110	0	0	0	113.8	L273 D352 V354 Y360	L273-Y356 HydrophobicContact CD2-CD1 4.13Å; D352-Y356 WeakPolarHBondContact O-CD2 3.34Å; V354-Y356 PolarHBondContact O-N 3.01Å; Y356-Y360 PolarHBondContact O-N 2.64Å
357	A	56.8	Low	61.1	Low	45 Å²	45	99.4 Å²	99.4	37%	0.372	51%	0.512	S	S	.	.	H	α-helix	trans	-76	-42.7	173.2	0	0	0	0	0	111	V354 E355 Y360 F361	V354-A357 PolarHBondContact O-N 3.29Å; E355-A357 VanDerWaalsContact C-N 3.26Å; E355-A357 PolarHBondContact O-N 2.81Å; A357-Y360 PolarHBondContact O-N 3.31Å; A357-F361 VanDerWaalsContact O-CD2 3.24Å; A357-F361 WeakPolarHBondContact O-CD2 3.48Å; A357-F361 PolarHBondContact O-N 3.05Å
358	S	63.8	Low	63.4	Low	72 Å²	72	95.9 Å²	95.9	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-59.3	-45.6	174.8	-175.6	0	0	0	0	111.9	V354 E355 Y360 F361 K362	V354-S358 PolarHBondContact O-N 3.38Å; V354-S358 VanDerWaalsContact O-N 3.12Å; E355-S358 WeakPolarHBondContact O-CB 3.49Å; E355-S358 PolarHBondContact O-N 2.98Å; E355-S358 VanDerWaalsContact O-N 3.09Å; S358-Y360 VanDerWaalsContact C-N 3.34Å; S358-Y360 PolarHBondContact O-N 3.24Å; S358-F361 PolarHBondContact O-N 2.73Å; S358-K362 WeakPolarHBondContact O-CB 3.18Å; S358-K362 PolarHBondContact O-N 3.16Å
359	D	67.7	Low	65.6	Low	82 Å²	82	94.2 Å²	94.2	44%	0.439	48%	0.478	S	S	.	.	H	α-helix	trans	-64.8	-35.2	-179.7	-79.5	-19.5	0	0	0	112.8	E355 K362 L363	E355-D359 PolarHBondContact O-N 2.89Å; D359-K362 PolarHBondContact O-N 2.88Å; D359-L363 WeakPolarHBondContact O-CB 3.41Å; D359-L363 WeakPolarHBondContact O-CD1 3.38Å; D359-L363 VanDerWaalsContact O-CG 3.25Å; D359-L363 WeakPolarHBondContact O-CG 3.43Å; D359-L363 PolarHBondContact O-N 2.79Å
360	Y	75.1	Confident	67.9	Low	62 Å²	62	84.3 Å²	84.3	24%	0.243	44%	0.442	C	S	.	.	H	α-helix	trans	-64.8	-47.8	176.6	-173.2	-90.2	0	0	0	112	L270 L273 Y356 A357 S358 K362 L363 Q364	L270-Y360 HydrophobicContact CB-CE2 4.43Å; L270-Y360 HydrophobicContact CD2-CD2 3.75Å; L270-Y360 HydrophobicContact CD2-CE2 3.62Å; L270-Y360 HydrophobicContact CD2-CG 4.26Å; L273-Y360 HydrophobicContact CB-CD2 4.12Å; L273-Y360 HydrophobicContact CD1-CD2 4.29Å; Y356-Y360 PolarHBondContact O-N 2.64Å; A357-Y360 PolarHBondContact O-N 3.31Å; S358-Y360 VanDerWaalsContact C-N 3.34Å; S358-Y360 PolarHBondContact O-N 3.24Å; Y360-K362 VanDerWaalsContact C-N 3.34Å; Y360-K362 PolarHBondContact O-N 2.88Å; Y360-L363 PolarHBondContact O-N 2.78Å; Y360-Q364 PolarHBondContact O-N 2.78Å
361	F	78.2	Confident	70.2	Confident	139 Å²	139	79 Å²	79	61%	0.61	42%	0.419	S	S	*	.	H	α-helix	trans	-64.4	-39.4	176.9	-73.5	-63.9	0	0	0	112	A357 S358 Q364 E365	A357-F361 VanDerWaalsContact O-CD2 3.24Å; A357-F361 WeakPolarHBondContact O-CD2 3.48Å; A357-F361 PolarHBondContact O-N 3.05Å; S358-F361 PolarHBondContact O-N 2.73Å; F361-Q364 WeakPolarHBondContact O-CB 3.34Å; F361-Q364 PolarHBondContact O-N 3.24Å; F361-E365 PolarHBondContact O-N 2.94Å
362	K	83.4	Confident	72.5	Confident	109 Å²	109	82.9 Å²	82.9	47%	0.474	43%	0.431	S	S	.	.	H	α-helix	trans	-63.2	-45.6	176.2	-174	-178	174.4	-168.7	0	112.4	S358 D359 Y360 Q364 E365 E366	S358-K362 WeakPolarHBondContact O-CB 3.18Å; S358-K362 PolarHBondContact O-N 3.16Å; D359-K362 PolarHBondContact O-N 2.88Å; Y360-K362 VanDerWaalsContact C-N 3.34Å; Y360-K362 PolarHBondContact O-N 2.88Å; K362-Q364 PolarHBondContact O-N 3.08Å; K362-E365 PolarHBondContact O-N 2.81Å; K362-E366 WeakPolarHBondContact CE-OE1 3.31Å; K362-E366 WeakPolarHBondContact O-CB 3.44Å; K362-E366 WeakPolarHBondContact O-CG 3.42Å; K362-E366 PolarHBondContact O-N 2.91Å
363	L	82.1	Confident	74.7	Confident	31 Å²	31	84 Å²	84	16%	0.162	43%	0.432	C	S	.	.	H	α-helix	trans	-61.7	-33.3	174.6	-75.4	166.4	0	0	0	112.1	L266 L270 L273 D359 Y360 F367	L266-L363 HydrophobicContact CD2-CD2 3.51Å; L270-L363 HydrophobicContact CD2-CB 3.65Å; L270-L363 HydrophobicContact CG-CB 4.06Å; L273-L363 HydrophobicContact CD1-CD1 3.48Å; L273-L363 VanDerWaalsContact CD1-CD1 3.48Å; D359-L363 WeakPolarHBondContact O-CB 3.41Å; D359-L363 WeakPolarHBondContact O-CD1 3.38Å; D359-L363 VanDerWaalsContact O-CG 3.25Å; D359-L363 WeakPolarHBondContact O-CG 3.43Å; D359-L363 PolarHBondContact O-N 2.79Å; Y360-L363 PolarHBondContact O-N 2.78Å; L363-F367 WeakPolarHBondContact O-CB 3.25Å; L363-F367 PolarHBondContact O-N 3.21Å
364	Q	80.4	Confident	76.7	Confident	88 Å²	88	80.1 Å²	80.1	41%	0.411	40%	0.404	S	S	.	.	H	α-helix	trans	-69.7	-40.8	174.7	-171.8	179.7	9.7	0	0	112.2	Y360 F361 K362 F367 C368	Y360-Q364 PolarHBondContact O-N 2.78Å; F361-Q364 WeakPolarHBondContact O-CB 3.34Å; F361-Q364 PolarHBondContact O-N 3.24Å; K362-Q364 PolarHBondContact O-N 3.08Å; Q364-F367 PolarHBondContact O-N 3.3Å; Q364-C368 PolarHBondContact O-N 3.17Å; Q364-C368 PolarHBondContact O-SG 3.07Å
365	E	84.9	Confident	78.5	Confident	136 Å²	136	81.3 Å²	81.3	64%	0.636	40%	0.403	S	S	*	.	H	α-helix	trans	-67.7	-43.7	175.9	-174.5	174.2	-156	0	0	112	F361 K362 F367 C368 T369	F361-E365 PolarHBondContact O-N 2.94Å; K362-E365 PolarHBondContact O-N 2.81Å; E365-F367 VanDerWaalsContact C-N 3.35Å; E365-F367 PolarHBondContact O-N 3.14Å; E365-C368 PolarHBondContact O-N 3.23Å; E365-T369 WeakPolarHBondContact O-CB 3.48Å; E365-T369 PolarHBondContact O-N 2.89Å; E365-T369 PolarHBondContact O-OG1 2.69Å
366	E	86.1	Confident	80.4	Confident	78 Å²	78	79.7 Å²	79.7	36%	0.364	40%	0.404	S	S	.	.	H	α-helix	trans	-59.9	-44	172.7	-73.5	178.6	-170	0	0	111.1	L266 K362 T369 I370	L266-E366 HydrophobicContact CD1-CB 4.09Å; K362-E366 WeakPolarHBondContact CE-OE1 3.31Å; K362-E366 WeakPolarHBondContact O-CB 3.44Å; K362-E366 WeakPolarHBondContact O-CG 3.42Å; K362-E366 PolarHBondContact O-N 2.91Å; E366-T369 PolarHBondContact O-N 2.99Å; E366-I370 WeakPolarHBondContact O-CG1 3.39Å; E366-I370 PolarHBondContact O-N 3.46Å
367	F	89.2	Confident	82	Confident	51 Å²	51	74.4 Å²	74.4	22%	0.224	39%	0.385	C	S	.	.	H	α-helix	trans	-60.1	-47.7	176.2	177.7	-86.5	0	0	0	112	L263 L266 L267 L270 L363 Q364 E365 T369 I370 A371	L263-F367 HydrophobicContact CD1-CE2 4.44Å; L263-F367 HydrophobicContact CD2-CD2 4.28Å; L263-F367 HydrophobicContact CD2-CE2 3.42Å; L263-F367 VanDerWaalsContact CD2-CE2 3.42Å; L263-F367 HydrophobicContact CD2-CZ 3.77Å; L263-F367 HydrophobicContact CG-CD2 3.89Å; L263-F367 HydrophobicContact CG-CE2 3.52Å; L263-F367 HydrophobicContact CG-CZ 4.04Å; L266-F367 HydrophobicContact CB-CB 4.35Å; L266-F367 HydrophobicContact CB-CD2 4.07Å; L266-F367 HydrophobicContact CD1-CB 4.27Å; L267-F367 HydrophobicContact CB-CE2 4Å; L267-F367 HydrophobicContact CD1-CE2 4.15Å; L267-F367 HydrophobicContact CD1-CZ 4.4Å; L270-F367 HydrophobicContact CD1-CB 4.37Å; L363-F367 WeakPolarHBondContact O-CB 3.25Å; L363-F367 PolarHBondContact O-N 3.21Å; Q364-F367 PolarHBondContact O-N 3.3Å; E365-F367 VanDerWaalsContact C-N 3.35Å; E365-F367 PolarHBondContact O-N 3.14Å; F367-T369 VanDerWaalsContact C-N 3.34Å; F367-T369 PolarHBondContact O-N 2.8Å; F367-I370 PolarHBondContact O-N 2.82Å; F367-A371 WeakPolarHBondContact O-CB 3.38Å; F367-A371 PolarHBondContact O-N 2.73Å
368	C	84.3	Confident	83.3	Confident	60 Å²	60	76.1 Å²	76.1	41%	0.405	39%	0.387	S	S	.	.	H	α-helix	trans	-63.7	-39.9	177.5	-67.6	0	0	0	0	111.9	Q364 E365 A371 Q372	Q364-C368 PolarHBondContact O-N 3.17Å; Q364-C368 PolarHBondContact O-SG 3.07Å; E365-C368 PolarHBondContact O-N 3.23Å; C368-A371 PolarHBondContact O-N 2.89Å; C368-Q372 WeakPolarHBondContact O-CG 3.5Å; C368-Q372 PolarHBondContact O-N 3.31Å
369	T	89.9	Confident	84.4	Confident	57 Å²	57	78.8 Å²	78.8	35%	0.35	39%	0.39	S	S	.	.	H	α-helix	trans	-62.9	-42.6	177.2	-60.8	0	0	0	0	111.7	E365 E366 F367 Q372 K373	E365-T369 WeakPolarHBondContact O-CB 3.48Å; E365-T369 PolarHBondContact O-N 2.89Å; E365-T369 PolarHBondContact O-OG1 2.69Å; E366-T369 PolarHBondContact O-N 2.99Å; F367-T369 VanDerWaalsContact C-N 3.34Å; F367-T369 PolarHBondContact O-N 2.8Å; T369-Q372 PolarHBondContact O-N 3.43Å; T369-K373 WeakPolarHBondContact O-CG 3.29Å; T369-K373 PolarHBondContact O-N 3.49Å; T369-K373 VanDerWaalsContact O-N 3.16Å
370	I	87.7	Confident	85.2	Confident	16 Å²	16	76.8 Å²	76.8	8%	0.082	38%	0.382	C	S	.	.	H	α-helix	trans	-72.2	-35.6	177.2	-65.4	-178.4	0	0	0	111.2	N259 E262 L263 L266 E366 F367 Q372 K373 V374	N259-I370 HydrophobicContact CB-CG2 3.92Å; N259-I370 VanDerWaalsContact O-CG2 3.27Å; N259-I370 WeakPolarHBondContact O-CG2 3.46Å; E262-I370 HydrophobicContact CB-CD1 4.31Å; E262-I370 HydrophobicContact CG-CD1 3.65Å; L263-I370 HydrophobicContact CB-CG2 4.05Å; L263-I370 HydrophobicContact CD1-CG2 4.45Å; L266-I370 HydrophobicContact CD1-CD1 3.84Å; E366-I370 WeakPolarHBondContact O-CG1 3.39Å; E366-I370 PolarHBondContact O-N 3.46Å; F367-I370 PolarHBondContact O-N 2.82Å; I370-Q372 VanDerWaalsContact C-N 3.33Å; I370-Q372 PolarHBondContact O-N 3.18Å; I370-K373 PolarHBondContact O-N 2.62Å; I370-V374 WeakPolarHBondContact O-CG2 3.18Å; I370-V374 PolarHBondContact O-N 2.97Å
371	A	85.1	Confident	85.6	Confident	35 Å²	35	74.1 Å²	74.1	29%	0.289	37%	0.373	S	S	.	.	H	α-helix	trans	-60.2	-41.3	173.5	0	0	0	0	0	112.3	L263 F367 C368 V374 H375	L263-A371 HydrophobicContact CD1-CB 3.73Å; F367-A371 WeakPolarHBondContact O-CB 3.38Å; F367-A371 PolarHBondContact O-N 2.73Å; C368-A371 PolarHBondContact O-N 2.89Å; A371-V374 PolarHBondContact O-N 2.79Å; A371-H375 PolarHBondContact O-N 3.29Å
372	Q	87.7	Confident	85.9	Confident	139 Å²	139	74.5 Å²	74.5	65%	0.65	38%	0.375	S	S	*	.	H	α-helix	trans	-65.1	-40.5	174.5	-70.7	174.9	4.2	0	0	112.2	C368 T369 I370 H375 S376	C368-Q372 WeakPolarHBondContact O-CG 3.5Å; C368-Q372 PolarHBondContact O-N 3.31Å; T369-Q372 PolarHBondContact O-N 3.43Å; I370-Q372 VanDerWaalsContact C-N 3.33Å; I370-Q372 PolarHBondContact O-N 3.18Å; Q372-H375 PolarHBondContact O-N 3.3Å; Q372-S376 PolarHBondContact O-N 3.08Å
373	K	88.1	Confident	85.8	Confident	112 Å²	112	73 Å²	73	49%	0.487	37%	0.372	S	S	.	.	H	α-helix	trans	-61.9	-44.2	174.1	-70.5	169.7	-177.9	174	0	112.1	T369 I370 S376 L377	T369-K373 WeakPolarHBondContact O-CG 3.29Å; T369-K373 PolarHBondContact O-N 3.49Å; T369-K373 VanDerWaalsContact O-N 3.16Å; I370-K373 PolarHBondContact O-N 2.62Å; K373-S376 PolarHBondContact O-N 2.86Å; K373-L377 WeakPolarHBondContact O-CG 3.26Å; K373-L377 PolarHBondContact O-N 3.11Å
374	V	88.5	Confident	85.8	Confident	13 Å²	13	72.6 Å²	72.6	8%	0.079	37%	0.371	C	S	.	.	H	α-helix	trans	-56.9	-50.7	173.5	164.6	0	0	0	0	110.8	N259 L260 I370 A371 S376 L377 L378	N259-V374 HydrophobicContact CB-CG2 3.55Å; L260-V374 HydrophobicContact CD2-CG1 3.79Å; L260-V374 HydrophobicContact CD2-CG2 4.17Å; L260-V374 HydrophobicContact CG-CG1 4.03Å; L260-V374 HydrophobicContact CG-CG2 4Å; I370-V374 WeakPolarHBondContact O-CG2 3.18Å; I370-V374 PolarHBondContact O-N 2.97Å; A371-V374 PolarHBondContact O-N 2.79Å; V374-S376 VanDerWaalsContact C-N 3.33Å; V374-S376 PolarHBondContact O-N 2.86Å; V374-L377 PolarHBondContact O-N 2.72Å; V374-L378 HydrophobicContact CG1-CD1 3.88Å; V374-L378 WeakPolarHBondContact O-CG 3.39Å; V374-L378 PolarHBondContact O-N 2.9Å
375	H	87.3	Confident	85.8	Confident	130 Å²	130	71.7 Å²	71.7	60%	0.602	37%	0.371	S	S	*	.	H	α-helix	trans	-60.9	-40.5	179.2	177.1	-113.1	0	0	0	112.5	A371 Q372 K379	A371-H375 PolarHBondContact O-N 3.29Å; Q372-H375 PolarHBondContact O-N 3.3Å; H375-K379 WeakPolarHBondContact O-CB 3.44Å; H375-K379 PolarHBondContact O-N 3.26Å
376	S	88.6	Confident	85.4	Confident	79 Å²	79	67.4 Å²	67.4	55%	0.552	36%	0.359	S	S	*	.	H	α-helix	trans	-65.2	-43.2	177.4	-163.8	0	0	0	0	112.7	Q372 K373 V374 K379 S380	Q372-S376 PolarHBondContact O-N 3.08Å; K373-S376 PolarHBondContact O-N 2.86Å; V374-S376 VanDerWaalsContact C-N 3.33Å; V374-S376 PolarHBondContact O-N 2.86Å; S376-K379 PolarHBondContact O-N 3.01Å; S376-S380 PolarHBondContact O-N 2.97Å
377	L	88.1	Confident	85.2	Confident	28 Å²	28	68.3 Å²	68.3	15%	0.147	37%	0.366	C	S	.	.	H	α-helix	trans	-67	-42.4	178.2	-71.2	167.4	0	0	0	112	E252 R255 C256 N259 K373 V374 K379 S380 A381	E252-L377 HydrophobicContact CB-CD2 4.13Å; E252-L377 HydrophobicContact CG-CD2 4.13Å; R255-L377 HydrophobicContact CB-CD1 4.28Å; C256-L377 HydrophobicContact CB-CB 4.06Å; C256-L377 HydrophobicContact CB-CD1 4.15Å; N259-L377 WeakPolarHBondContact ND2-CD1 3.45Å; K373-L377 WeakPolarHBondContact O-CG 3.26Å; K373-L377 PolarHBondContact O-N 3.11Å; V374-L377 PolarHBondContact O-N 2.72Å; L377-K379 VanDerWaalsContact C-N 3.31Å; L377-K379 PolarHBondContact O-N 2.68Å; L377-S380 WeakPolarHBondContact O-CB 3.4Å; L377-S380 PolarHBondContact O-N 2.88Å; L377-A381 WeakPolarHBondContact O-CB 3.41Å; L377-A381 PolarHBondContact O-N 2.76Å
378	L	83.5	Confident	84.6	Confident	81 Å²	81	66.2 Å²	66.2	42%	0.424	36%	0.356	S	S	.	.	H	α-helix	trans	-63.5	-37.5	175.6	-69.5	172.8	0	0	0	112.1	L253 V374 F382	L253-L378 HydrophobicContact CD2-CD2 4.12Å; V374-L378 HydrophobicContact CG1-CD1 3.88Å; V374-L378 WeakPolarHBondContact O-CG 3.39Å; V374-L378 PolarHBondContact O-N 2.9Å; L378-F382 VanDerWaalsContact O-CB 3.29Å; L378-F382 WeakPolarHBondContact O-CB 3.2Å; L378-F382 PolarHBondContact O-N 3.45Å
379	K	86.3	Confident	84.3	Confident	129 Å²	129	70.3 Å²	70.3	56%	0.561	37%	0.367	S	S	*	.	H	α-helix	trans	-67.8	-37.7	175	-172.6	176.6	180	-178.6	0	112.2	H375 S376 L377 N383	H375-K379 WeakPolarHBondContact O-CB 3.44Å; H375-K379 PolarHBondContact O-N 3.26Å; S376-K379 PolarHBondContact O-N 3.01Å; L377-K379 VanDerWaalsContact C-N 3.31Å; L377-K379 PolarHBondContact O-N 2.68Å; K379-N383 PolarHBondContact O-N 3.23Å; K379-N383 PolarHBondContact O-ND2 3.15Å
380	S	85.5	Confident	83.8	Confident	40 Å²	40	72.1 Å²	72.1	28%	0.28	37%	0.372	S	S	.	.	H	α-helix	trans	-63	-57.8	173.9	-172.9	0	0	0	0	111	E252 S376 L377 F382 N383 T384	E252-S380 PolarHBondContact OE1-OG 2.81Å; E252-S380 WeakPolarHBondContact OE2-CB 3.27Å; E252-S380 PolarHBondContact OE2-OG 3.07Å; S376-S380 PolarHBondContact O-N 2.97Å; L377-S380 WeakPolarHBondContact O-CB 3.4Å; L377-S380 PolarHBondContact O-N 2.88Å; S380-F382 VanDerWaalsContact C-N 3.29Å; S380-F382 PolarHBondContact O-N 2.81Å; S380-N383 WeakPolarHBondContact O-CB 3.33Å; S380-N383 PolarHBondContact O-N 3.24Å; S380-T384 PolarHBondContact O-N 2.64Å; S380-T384 PolarHBondContact O-OG1 2.9Å
381	A	82.8	Confident	83.2	Confident	6 Å²	6	75.6 Å²	75.6	5%	0.05	39%	0.386	C	S	.	.	H	α-helix	trans	-54.6	-41	178	0	0	0	0	0	113.3	C249 L253 L377 T384 V385	C249-A381 VanDerWaalsContact SG-CB 3.59Å; L253-A381 HydrophobicContact CD1-CB 4.43Å; L253-A381 HydrophobicContact CD2-CB 3.84Å; L253-A381 HydrophobicContact CG-CB 3.93Å; L377-A381 WeakPolarHBondContact O-CB 3.41Å; L377-A381 PolarHBondContact O-N 2.76Å; A381-T384 PolarHBondContact O-N 2.93Å; A381-V385 WeakPolarHBondContact O-CG2 3.27Å; A381-V385 PolarHBondContact O-N 3.47Å
382	F	84.3	Confident	82.4	Confident	146 Å²	146	75.7 Å²	75.7	64%	0.64	38%	0.381	S	S	*	.	H	α-helix	trans	-61.1	-45.1	174.7	176.6	-93.9	0	0	0	112.5	L378 S380 A386	L378-F382 VanDerWaalsContact O-CB 3.29Å; L378-F382 WeakPolarHBondContact O-CB 3.2Å; L378-F382 PolarHBondContact O-N 3.45Å; S380-F382 VanDerWaalsContact C-N 3.29Å; S380-F382 PolarHBondContact O-N 2.81Å; F382-A386 WeakPolarHBondContact O-CB 3.29Å; F382-A386 PolarHBondContact O-N 2.7Å
383	N	82.3	Confident	81.8	Confident	77 Å²	77	74.6 Å²	74.6	41%	0.412	37%	0.374	S	S	.	.	H	α-helix	trans	-64.4	-43.8	178.5	-70.8	-16.5	0	0	0	111.4	K379 S380 A386 I387	K379-N383 PolarHBondContact O-N 3.23Å; K379-N383 PolarHBondContact O-ND2 3.15Å; S380-N383 WeakPolarHBondContact O-CB 3.33Å; S380-N383 PolarHBondContact O-N 3.24Å; N383-A386 PolarHBondContact O-N 3.43Å; N383-I387 WeakPolarHBondContact O-CG1 3.37Å; N383-I387 PolarHBondContact O-N 2.74Å
384	T	82.3	Confident	81	Confident	24 Å²	24	74.2 Å²	74.2	15%	0.147	38%	0.375	C	S	.	.	H	α-helix	trans	-59.9	-50.9	177.6	-53.4	0	0	0	0	111	E245 C249 S380 A381 A386 I387 E388	E245-T384 HydrophobicContact CB-CG2 3.99Å; E245-T384 WeakPolarHBondContact O-CG2 3.4Å; C249-T384 HydrophobicContact CB-CG2 4.11Å; S380-T384 PolarHBondContact O-N 2.64Å; S380-T384 PolarHBondContact O-OG1 2.9Å; A381-T384 PolarHBondContact O-N 2.93Å; T384-A386 VanDerWaalsContact C-N 3.26Å; T384-A386 PolarHBondContact O-N 3.03Å; T384-I387 PolarHBondContact O-N 2.86Å; T384-I387 VanDerWaalsContact O-N 3.15Å; T384-E388 HydrophobicContact CG2-CG 4.42Å; T384-E388 WeakPolarHBondContact O-CG 3.43Å; T384-E388 PolarHBondContact O-N 3.35Å
385	V	79.3	Confident	79.9	Confident	69 Å²	69	77.1 Å²	77.1	42%	0.418	39%	0.392	S	S	.	.	H	α-helix	trans	-61.3	-33.4	176.8	173.4	0	0	0	0	112.4	M246 A381 K389	M246-V385 HydrophobicContact CE-CG2 4.2Å; M246-V385 HydrophobicContact SD-CG2 4.28Å; A381-V385 WeakPolarHBondContact O-CG2 3.27Å; A381-V385 PolarHBondContact O-N 3.47Å; V385-K389 VanDerWaalsContact O-CB 3.25Å; V385-K389 WeakPolarHBondContact O-CB 3.25Å; V385-K389 PolarHBondContact O-N 2.75Å
386	A	77.5	Confident	78.7	Confident	46 Å²	46	75.1 Å²	75.1	38%	0.38	39%	0.385	S	S	.	.	H	α-helix	trans	-69.1	-40.2	175.5	0	0	0	0	0	112.9	F382 N383 T384 E390	F382-A386 WeakPolarHBondContact O-CB 3.29Å; F382-A386 PolarHBondContact O-N 2.7Å; N383-A386 PolarHBondContact O-N 3.43Å; T384-A386 VanDerWaalsContact C-N 3.26Å; T384-A386 PolarHBondContact O-N 3.03Å; A386-E390 PolarHBondContact O-N 2.78Å
387	I	80.4	Confident	77.5	Confident	97 Å²	97	74 Å²	74	50%	0.497	38%	0.377	S	S	.	.	H	α-helix	trans	-66.1	-48.3	175	-69	163	0	0	0	110.3	N383 T384 K389 E390 K391	N383-I387 WeakPolarHBondContact O-CG1 3.37Å; N383-I387 PolarHBondContact O-N 2.74Å; T384-I387 PolarHBondContact O-N 2.86Å; T384-I387 VanDerWaalsContact O-N 3.15Å; I387-K389 VanDerWaalsContact C-N 3.35Å; I387-K389 PolarHBondContact O-N 2.9Å; I387-E390 PolarHBondContact O-N 2.71Å; I387-E390 VanDerWaalsContact O-N 3.1Å; I387-K391 HydrophobicContact CG2-CD 4.34Å; I387-K391 PolarHBondContact O-N 3.35Å
388	E	77.2	Confident	75.9	Confident	7 Å²	7	77.7 Å²	77.7	3%	0.033	39%	0.394	C	S	.	.	H	α-helix	trans	-61.7	-40.1	178.9	-69.7	-32.4	104.5	0	0	112.5	W239 S243 M246 T384 E390 K391 I392	W239-E388 HydrophobicContact CH2-CB 3.63Å; W239-E388 HydrophobicContact CH2-CG 3.8Å; W239-E388 VanDerWaalsContact CH2-OE2 3.29Å; W239-E388 WeakPolarHBondContact CH2-OE2 3.45Å; W239-E388 HydrophobicContact CZ2-CB 4.43Å; W239-E388 VanDerWaalsContact CZ2-OE2 3.28Å; W239-E388 WeakPolarHBondContact CZ2-OE2 3.42Å; W239-E388 HydrophobicContact CZ3-CB 4.37Å; S243-E388 PolarHBondContact OG-OE2 2.79Å; M246-E388 HydrophobicContact CG-CG 4.15Å; M246-E388 HydrophobicContact SD-CB 4.12Å; M246-E388 HydrophobicContact SD-CG 3.9Å; T384-E388 HydrophobicContact CG2-CG 4.42Å; T384-E388 WeakPolarHBondContact O-CG 3.43Å; T384-E388 PolarHBondContact O-N 3.35Å; E388-E390 VanDerWaalsContact C-N 3.29Å; E388-E390 PolarHBondContact O-N 3.12Å; E388-K391 VanDerWaalsContact CD-NZ 3.32Å; E388-K391 PolarHBondContact O-N 2.78Å; E388-K391 WeakPolarHBondContact OE1-CD 3.15Å; E388-K391 WeakPolarHBondContact OE1-CE 3.33Å; E388-K391 IonicContact OE1-NZ 3.74Å; E388-K391 PolarHBondContact OE1-NZ 3.13Å; E388-K391 VanDerWaalsContact OE2-CD 3.27Å; E388-K391 WeakPolarHBondContact OE2-CD 3.29Å; E388-K391 IonicContact OE2-NZ 2.79Å; E388-K391 PolarHBondContact OE2-NZ 3.17Å; E388-I392 VanDerWaalsContact O-CG1 3.31Å; E388-I392 WeakPolarHBondContact O-CG1 3.28Å; E388-I392 PolarHBondContact O-N 3.2Å
389	K	79	Confident	74.3	Confident	146 Å²	146	79.5 Å²	79.5	64%	0.635	40%	0.4	S	S	*	.	H	α-helix	trans	-56.7	-42	172.6	177.7	-169.8	172	-167	0	112.3	V385 I387 K393	V385-K389 VanDerWaalsContact O-CB 3.25Å; V385-K389 WeakPolarHBondContact O-CB 3.25Å; V385-K389 PolarHBondContact O-N 2.75Å; I387-K389 VanDerWaalsContact C-N 3.35Å; I387-K389 PolarHBondContact O-N 2.9Å; K389-K393 WeakPolarHBondContact O-CB 3.39Å; K389-K393 PolarHBondContact O-N 3.09Å; K389-K393 VanDerWaalsContact O-N 3.13Å
390	E	78.1	Confident	72.6	Confident	94 Å²	94	80.2 Å²	80.2	44%	0.439	41%	0.406	S	S	.	.	H	α-helix	trans	-76.1	-35	-178.9	-167	58.3	-151.8	0	0	111.6	A386 I387 E388 K393 Q394	A386-E390 PolarHBondContact O-N 2.78Å; I387-E390 PolarHBondContact O-N 2.71Å; I387-E390 VanDerWaalsContact O-N 3.1Å; E388-E390 VanDerWaalsContact C-N 3.29Å; E388-E390 PolarHBondContact O-N 3.12Å; E390-K393 WeakPolarHBondContact O-CB 3.34Å; E390-K393 PolarHBondContact O-N 3.08Å; E390-K393 IonicContact OE1-NZ 3.84Å; E390-K393 PolarHBondContact OE1-NZ 2.83Å; E390-K393 IonicContact OE2-NZ 3.52Å; E390-K393 PolarHBondContact OE2-NZ 2.82Å; E390-Q394 PolarHBondContact O-N 3.07Å
391	K	76.3	Confident	70.7	Confident	89 Å²	89	82 Å²	82	39%	0.387	41%	0.409	S	S	.	.	H	α-helix	trans	-57.9	-48.1	168.3	-73.5	170.7	174.3	172.6	0	112.2	I387 E388 K393 Q394 V395	I387-K391 HydrophobicContact CG2-CD 4.34Å; I387-K391 PolarHBondContact O-N 3.35Å; E388-K391 VanDerWaalsContact CD-NZ 3.32Å; E388-K391 PolarHBondContact O-N 2.78Å; E388-K391 WeakPolarHBondContact OE1-CD 3.15Å; E388-K391 WeakPolarHBondContact OE1-CE 3.33Å; E388-K391 IonicContact OE1-NZ 3.74Å; E388-K391 PolarHBondContact OE1-NZ 3.13Å; E388-K391 VanDerWaalsContact OE2-CD 3.27Å; E388-K391 WeakPolarHBondContact OE2-CD 3.29Å; E388-K391 IonicContact OE2-NZ 2.79Å; E388-K391 PolarHBondContact OE2-NZ 3.17Å; K391-K393 VanDerWaalsContact C-N 3.29Å; K391-K393 PolarHBondContact O-N 2.82Å; K391-Q394 PolarHBondContact O-N 2.89Å; K391-V395 WeakPolarHBondContact O-CG2 3.14Å; K391-V395 PolarHBondContact O-N 2.83Å
392	I	68.4	Low	69	Low	37 Å²	37	85.7 Å²	85.7	19%	0.19	44%	0.435	C	S	.	.	H	α-helix	trans	-58.2	-44.6	176.5	-65.9	164.2	0	0	0	110.2	W239 E388 Q394 V395 L396	W239-I392 HydrophobicContact CD2-CD1 4.03Å; W239-I392 HydrophobicContact CD2-CG1 3.79Å; W239-I392 HydrophobicContact CE3-CD1 3.61Å; W239-I392 HydrophobicContact CE3-CG1 3.92Å; W239-I392 HydrophobicContact CG-CG1 4.45Å; W239-I392 HydrophobicContact CH2-CD1 4.17Å; W239-I392 HydrophobicContact CH2-CG1 4.25Å; W239-I392 HydrophobicContact CZ2-CD1 4.47Å; W239-I392 HydrophobicContact CZ2-CG1 4.05Å; W239-I392 HydrophobicContact CZ3-CD1 3.7Å; W239-I392 HydrophobicContact CZ3-CG1 4.16Å; E388-I392 VanDerWaalsContact O-CG1 3.31Å; E388-I392 WeakPolarHBondContact O-CG1 3.28Å; E388-I392 PolarHBondContact O-N 3.2Å; I392-Q394 PolarHBondContact O-N 3.27Å; I392-V395 PolarHBondContact O-N 3.49Å; I392-L396 HydrophobicContact CG2-CD1 3.84Å; I392-L396 HydrophobicContact CG2-CG 4.35Å; I392-L396 WeakPolarHBondContact O-CB 3.42Å; I392-L396 VanDerWaalsContact O-CG 3.28Å; I392-L396 WeakPolarHBondContact O-CG 3.28Å; I392-L396 PolarHBondContact O-N 2.64Å
393	K	73.8	Confident	67.3	Low	116 Å²	116	85.8 Å²	85.8	50%	0.504	44%	0.442	S	S	.	.	H	α-helix	trans	-62.3	-39.4	177.5	170	161.1	158.2	-86.7	0	112.3	K389 E390 K391 S397	K389-K393 WeakPolarHBondContact O-CB 3.39Å; K389-K393 PolarHBondContact O-N 3.09Å; K389-K393 VanDerWaalsContact O-N 3.13Å; E390-K393 WeakPolarHBondContact O-CB 3.34Å; E390-K393 PolarHBondContact O-N 3.08Å; E390-K393 IonicContact OE1-NZ 3.84Å; E390-K393 PolarHBondContact OE1-NZ 2.83Å; E390-K393 IonicContact OE2-NZ 3.52Å; E390-K393 PolarHBondContact OE2-NZ 2.82Å; K391-K393 VanDerWaalsContact C-N 3.29Å; K391-K393 PolarHBondContact O-N 2.82Å; K393-S397 WeakPolarHBondContact O-CB 3.44Å; K393-S397 PolarHBondContact O-N 2.99Å; K393-S397 VanDerWaalsContact O-N 3.09Å; K393-S397 PolarHBondContact O-OG 3.49Å
394	Q	70.6	Confident	65.5	Low	105 Å²	105	86.8 Å²	86.8	49%	0.491	45%	0.445	S	S	.	.	H	α-helix	trans	-64.6	-52.6	173.3	-176.5	173.2	-12.7	0	0	111.5	E390 K391 I392 L396 S397 E398	E390-Q394 PolarHBondContact O-N 3.07Å; K391-Q394 PolarHBondContact O-N 2.89Å; I392-Q394 PolarHBondContact O-N 3.27Å; Q394-L396 VanDerWaalsContact C-N 3.32Å; Q394-L396 PolarHBondContact O-N 2.84Å; Q394-S397 CarbonylContact O-C 3.49Å; Q394-S397 WeakPolarHBondContact O-CA 3.32Å; Q394-S397 PolarHBondContact O-N 3.16Å; Q394-S397 PolarHBondContact O-OG 2.71Å; Q394-E398 HydrophobicContact CG-CG 4.35Å; Q394-E398 VanDerWaalsContact CG-OE1 3.31Å; Q394-E398 WeakPolarHBondContact CG-OE1 3.3Å; Q394-E398 PolarHBondContact NE2-OE1 2.96Å; Q394-E398 WeakPolarHBondContact O-CG 3.35Å; Q394-E398 PolarHBondContact O-N 2.8Å
395	V	67.4	Low	64.2	Low	73 Å²	73	88.3 Å²	88.3	44%	0.442	46%	0.456	S	S	.	.	H	α-helix	trans	-58.4	-41.6	-179.9	172.5	0	0	0	0	112	K391 I392 E398 Q399	K391-V395 WeakPolarHBondContact O-CG2 3.14Å; K391-V395 PolarHBondContact O-N 2.83Å; I392-V395 PolarHBondContact O-N 3.49Å; V395-E398 PolarHBondContact O-N 3.27Å; V395-Q399 WeakPolarHBondContact O-CB 2.97Å; V395-Q399 PolarHBondContact O-N 2.85Å
396	L	61.9	Low	63	Low	89 Å²	89	89.5 Å²	89.5	47%	0.466	47%	0.467	S	S	.	.	H	α-helix	trans	-61.8	-43.7	173.6	-71.5	170.9	0	0	0	111.6	I392 Q394 E398 Q399 E400	I392-L396 HydrophobicContact CG2-CD1 3.84Å; I392-L396 HydrophobicContact CG2-CG 4.35Å; I392-L396 WeakPolarHBondContact O-CB 3.42Å; I392-L396 VanDerWaalsContact O-CG 3.28Å; I392-L396 WeakPolarHBondContact O-CG 3.28Å; I392-L396 PolarHBondContact O-N 2.64Å; Q394-L396 VanDerWaalsContact C-N 3.32Å; Q394-L396 PolarHBondContact O-N 2.84Å; L396-E398 VanDerWaalsContact C-N 3.33Å; L396-E398 PolarHBondContact O-N 3.08Å; L396-Q399 PolarHBondContact O-N 2.7Å; L396-E400 PolarHBondContact O-N 3.35Å
397	S	62	Low	61.6	Low	55 Å²	55	93.9 Å²	93.9	39%	0.385	48%	0.48	S	S	.	.	H	α-helix	trans	-69.3	-27.2	178.7	76.4	0	0	0	0	114	K393 Q394 Q401	K393-S397 WeakPolarHBondContact O-CB 3.44Å; K393-S397 PolarHBondContact O-N 2.99Å; K393-S397 VanDerWaalsContact O-N 3.09Å; K393-S397 PolarHBondContact O-OG 3.49Å; Q394-S397 CarbonylContact O-C 3.49Å; Q394-S397 WeakPolarHBondContact O-CA 3.32Å; Q394-S397 PolarHBondContact O-N 3.16Å; Q394-S397 PolarHBondContact O-OG 2.71Å; S397-Q401 WeakPolarHBondContact O-CG 3.48Å; S397-Q401 PolarHBondContact O-NE2 3.37Å
398	E	54.6	Low	60.3	Low	105 Å²	105	92.5 Å²	92.5	49%	0.491	47%	0.473	S	S	.	.	H	α-helix	trans	-78.6	-36.2	174.6	-72.6	175	-178.1	0	0	111.2	Q394 V395 L396 Q401	Q394-E398 HydrophobicContact CG-CG 4.35Å; Q394-E398 VanDerWaalsContact CG-OE1 3.31Å; Q394-E398 WeakPolarHBondContact CG-OE1 3.3Å; Q394-E398 PolarHBondContact NE2-OE1 2.96Å; Q394-E398 WeakPolarHBondContact O-CG 3.35Å; Q394-E398 PolarHBondContact O-N 2.8Å; V395-E398 PolarHBondContact O-N 3.27Å; L396-E398 VanDerWaalsContact C-N 3.33Å; L396-E398 PolarHBondContact O-N 3.08Å; E398-Q401 WeakPolarHBondContact O-CB 3.48Å; E398-Q401 PolarHBondContact O-N 3.24Å
399	Q	50.2	Low	59.3	Low	119 Å²	119	95 Å²	95	56%	0.556	49%	0.486	S	S	*	.	H	α-helix	trans	-80.9	-19.9	-179.4	-155.4	164	45	0	0	113.6	V395 L396 Q401 S402	V395-Q399 WeakPolarHBondContact O-CB 2.97Å; V395-Q399 PolarHBondContact O-N 2.85Å; L396-Q399 PolarHBondContact O-N 2.7Å; Q399-Q401 PolarHBondContact O-N 3.24Å; Q399-S402 PolarHBondContact O-OG 3.43Å
400	E	49.9	Very low	58.3	Low	145 Å²	145	91.6 Å²	91.6	68%	0.678	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-7.5	163.9	-77.2	-172.9	162.3	0	0	113.6	L396	L396-E400 PolarHBondContact O-N 3.35Å
401	Q	47	Very low	57.3	Low	76 Å²	76	92.8 Å²	92.8	36%	0.355	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-5.5	-178.4	-62	174.6	53.8	0	0	114.4	S397 E398 Q399 I409	S397-Q401 WeakPolarHBondContact O-CG 3.48Å; S397-Q401 PolarHBondContact O-NE2 3.37Å; E398-Q401 WeakPolarHBondContact O-CB 3.48Å; E398-Q401 PolarHBondContact O-N 3.24Å; Q399-Q401 PolarHBondContact O-N 3.24Å; Q401-I409 HydrophobicContact CB-CD1 4.48Å
402	S	46.7	Very low	56.2	Low	85 Å²	85	94.4 Å²	94.4	59%	0.594	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-29.3	178.9	60.7	0	0	0	0	113.7	Q399	Q399-S402 PolarHBondContact O-OG 3.43Å
403	D	49.1	Very low	56	Low	147 Å²	147	100.3 Å²	100.3	79%	0.786	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	10.1	-164.7	-68.2	19	0	0	0	113.1
404	Q	43.6	Very low	55.4	Low	99 Å²	99	98.2 Å²	98.2	46%	0.463	52%	0.517	S	S	.	.	S	Bend	trans	-127.6	137.8	178.7	-65.6	-166.5	-2.1	0	0	112.4	I408	Q404-I408 HydrophobicContact CB-CD1 4.4Å
405	S	55.2	Low	54.8	Low	55 Å²	55	98 Å²	98	39%	0.385	52%	0.518	S	S	.	.			trans	-41.6	137.8	-171.6	176.4	0	0	0	0	114.3	Q407 I408 I409	S405-Q407 PolarHBondContact O-N 3.1Å; S405-Q407 PolarHBondContact OG-N 3.38Å; S405-Q407 PolarHBondContact OG-OE1 3.42Å; S405-Q407 VanDerWaalsContact OG-OE1 3.09Å; S405-I408 WeakPolarHBondContact O-CB 3.43Å; S405-I408 PolarHBondContact O-N 3.47Å; S405-I409 PolarHBondContact O-N 3.18Å
406	S	53.2	Low	54.8	Low	94 Å²	94	98 Å²	98	66%	0.657	52%	0.522	S	S	*	.	H	α-helix	trans	-53.4	-23.8	176.1	54.4	0	0	0	0	114	I409 S410	S406-I409 PolarHBondContact O-N 2.83Å; S406-S410 PolarHBondContact O-N 3.1Å
407	Q	49.4	Very low	55.2	Low	138 Å²	138	99.5 Å²	99.5	65%	0.645	53%	0.529	S	S	*	.	H	α-helix	trans	-64.6	-41	172	-67.1	160.5	-40	0	0	112.2	S405 S410 I411	S405-Q407 PolarHBondContact O-N 3.1Å; S405-Q407 PolarHBondContact OG-N 3.38Å; S405-Q407 PolarHBondContact OG-OE1 3.42Å; S405-Q407 VanDerWaalsContact OG-OE1 3.09Å; Q407-S410 WeakPolarHBondContact O-CB 3.46Å; Q407-S410 PolarHBondContact O-N 3.31Å; Q407-I411 VanDerWaalsContact O-CG1 3.3Å; Q407-I411 WeakPolarHBondContact O-CG1 3.45Å; Q407-I411 PolarHBondContact O-N 2.79Å
408	I	53.4	Low	54.9	Low	68 Å²	68	98.8 Å²	98.8	35%	0.349	53%	0.527	S	S	.	.	H	α-helix	trans	-67.6	-38.9	177.6	-61.8	174.5	0	0	0	110.2	Q404 S405 I411 R412	Q404-I408 HydrophobicContact CB-CD1 4.4Å; S405-I408 WeakPolarHBondContact O-CB 3.43Å; S405-I408 PolarHBondContact O-N 3.47Å; I408-I411 PolarHBondContact O-N 3.43Å; I408-R412 HydrophobicContact CG2-CG 4.33Å; I408-R412 WeakPolarHBondContact O-CB 3.37Å; I408-R412 WeakPolarHBondContact O-CG 3.3Å; I408-R412 PolarHBondContact O-N 3.41Å
409	I	55.4	Low	55.2	Low	61 Å²	61	98.9 Å²	98.9	31%	0.313	53%	0.53	S	S	.	.	H	α-helix	trans	-63	-43.9	175.1	-56.2	177.1	0	0	0	110.3	Q401 S405 S406 R412 K413	Q401-I409 HydrophobicContact CB-CD1 4.48Å; S405-I409 PolarHBondContact O-N 3.18Å; S406-I409 PolarHBondContact O-N 2.83Å; I409-R412 PolarHBondContact O-N 3.4Å; I409-K413 VanDerWaalsContact O-CB 3.25Å; I409-K413 WeakPolarHBondContact O-CB 3.27Å; I409-K413 PolarHBondContact O-N 3.34Å
410	S	57.2	Low	56.1	Low	73 Å²	73	96.1 Å²	96.1	51%	0.51	53%	0.527	S	S	.	.	H	α-helix	trans	-60.6	-45.8	175.8	-170.9	0	0	0	0	112.5	S406 Q407 K413 S414	S406-S410 PolarHBondContact O-N 3.1Å; Q407-S410 WeakPolarHBondContact O-CB 3.46Å; Q407-S410 PolarHBondContact O-N 3.31Å; S410-K413 PolarHBondContact O-N 3.33Å; S410-S414 WeakPolarHBondContact O-CB 3.27Å; S410-S414 PolarHBondContact O-N 3.4Å; S410-S414 PolarHBondContact O-OG 3.02Å
411	I	57	Low	56.7	Low	119 Å²	119	94.7 Å²	94.7	61%	0.61	52%	0.521	S	S	*	.	H	α-helix	trans	-65.7	-47.2	178.3	-67.6	164.1	0	0	0	110.9	Q407 I408 K413 S414 L415	Q407-I411 VanDerWaalsContact O-CG1 3.3Å; Q407-I411 WeakPolarHBondContact O-CG1 3.45Å; Q407-I411 PolarHBondContact O-N 2.79Å; I408-I411 PolarHBondContact O-N 3.43Å; I411-K413 PolarHBondContact O-N 3.46Å; I411-S414 PolarHBondContact O-N 2.89Å; I411-L415 WeakPolarHBondContact O-CB 3.42Å; I411-L415 PolarHBondContact O-N 3.4Å
412	R	55	Low	57.3	Low	124 Å²	124	95 Å²	95	47%	0.468	53%	0.525	S	S	.	.	H	α-helix	trans	-60.4	-42.2	176.1	-75.7	-177.1	-179.8	177.4	3.9	112	I408 I409 S414 L415 S416	I408-R412 HydrophobicContact CG2-CG 4.33Å; I408-R412 WeakPolarHBondContact O-CB 3.37Å; I408-R412 WeakPolarHBondContact O-CG 3.3Å; I408-R412 PolarHBondContact O-N 3.41Å; I409-R412 PolarHBondContact O-N 3.4Å; R412-S414 VanDerWaalsContact C-N 3.35Å; R412-L415 PolarHBondContact O-N 3.18Å; R412-S416 WeakPolarHBondContact O-CB 3.46Å; R412-S416 PolarHBondContact O-N 3.2Å; R412-S416 PolarHBondContact O-OG 2.82Å
413	K	63.9	Low	58	Low	161 Å²	161	93.7 Å²	93.7	70%	0.7	52%	0.52	S	S	*	.	H	α-helix	trans	-66	-38.1	178.2	-165.9	168.6	-174	173.3	0	112	I409 S410 I411 L417	I409-K413 VanDerWaalsContact O-CB 3.25Å; I409-K413 WeakPolarHBondContact O-CB 3.27Å; I409-K413 PolarHBondContact O-N 3.34Å; S410-K413 PolarHBondContact O-N 3.33Å; I411-K413 PolarHBondContact O-N 3.46Å; K413-L417 WeakPolarHBondContact O-CB 3.25Å; K413-L417 PolarHBondContact O-N 3.34Å
414	S	60.3	Low	58.9	Low	72 Å²	72	91.2 Å²	91.2	50%	0.503	50%	0.503	S	S	.	.	H	α-helix	trans	-66.7	-42.7	174.1	-55.7	0	0	0	0	111.9	S410 I411 R412 L417 A418	S410-S414 WeakPolarHBondContact O-CB 3.27Å; S410-S414 PolarHBondContact O-N 3.4Å; S410-S414 PolarHBondContact O-OG 3.02Å; I411-S414 PolarHBondContact O-N 2.89Å; R412-S414 VanDerWaalsContact C-N 3.35Å; S414-L417 PolarHBondContact O-N 3.36Å; S414-A418 WeakPolarHBondContact O-CB 3.43Å; S414-A418 PolarHBondContact O-N 2.98Å
415	L	58.3	Low	59.7	Low	99 Å²	99	91 Å²	91	52%	0.518	51%	0.505	S	S	.	.	H	α-helix	trans	-64.9	-46	176.6	-179.6	61.5	0	0	0	111.8	I411 R412 L417 A418 L419	I411-L415 WeakPolarHBondContact O-CB 3.42Å; I411-L415 PolarHBondContact O-N 3.4Å; R412-L415 PolarHBondContact O-N 3.18Å; L415-L417 VanDerWaalsContact C-N 3.32Å; L415-L417 PolarHBondContact O-N 3.02Å; L415-A418 PolarHBondContact O-N 3.16Å; L415-L419 HydrophobicContact CD1-CD1 4.24Å; L415-L419 HydrophobicContact CD1-CG 4.3Å; L415-L419 HydrophobicContact CG-CD1 4.03Å; L415-L419 WeakPolarHBondContact O-CB 3.3Å; L415-L419 WeakPolarHBondContact O-CG 3.35Å; L415-L419 PolarHBondContact O-N 3.42Å
416	S	68.1	Low	59.9	Low	75 Å²	75	96.8 Å²	96.8	52%	0.524	52%	0.518	S	S	.	.	H	α-helix	trans	-62.5	-37.8	175.7	-66.7	0	0	0	0	112.3	R412 L419 A420	R412-S416 WeakPolarHBondContact O-CB 3.46Å; R412-S416 PolarHBondContact O-N 3.2Å; R412-S416 PolarHBondContact O-OG 2.82Å; S416-L419 PolarHBondContact O-N 2.79Å; S416-A420 VanDerWaalsContact O-CB 3.31Å; S416-A420 WeakPolarHBondContact O-CB 3.3Å; S416-A420 PolarHBondContact O-N 2.9Å
417	L	69	Low	60.3	Low	119 Å²	119	96 Å²	96	62%	0.623	51%	0.513	S	S	*	.	H	α-helix	trans	-63.7	-46	173.6	-173.1	68.2	0	0	0	111.1	K413 S414 L415 L419 A420 Q421	K413-L417 WeakPolarHBondContact O-CB 3.25Å; K413-L417 PolarHBondContact O-N 3.34Å; S414-L417 PolarHBondContact O-N 3.36Å; L415-L417 VanDerWaalsContact C-N 3.32Å; L415-L417 PolarHBondContact O-N 3.02Å; L417-L419 PolarHBondContact O-N 2.87Å; L417-A420 PolarHBondContact O-N 3.08Å; L417-Q421 VanDerWaalsContact O-CB 3.26Å; L417-Q421 WeakPolarHBondContact O-CB 3.49Å; L417-Q421 PolarHBondContact O-N 3.23Å
418	A	56	Low	60.8	Low	41 Å²	41	96 Å²	96	34%	0.339	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-36.4	177.2	0	0	0	0	0	112.9	S414 L415 N422	S414-A418 WeakPolarHBondContact O-CB 3.43Å; S414-A418 PolarHBondContact O-N 2.98Å; L415-A418 PolarHBondContact O-N 3.16Å; A418-N422 WeakPolarHBondContact O-CB 3.39Å; A418-N422 PolarHBondContact O-N 3.29Å; A418-N422 PolarHBondContact O-ND2 3.34Å
419	L	60.6	Low	61	Low	107 Å²	107	97 Å²	97	56%	0.56	51%	0.513	S	S	*	.	H	α-helix	trans	-69.9	-43	175.3	-72.9	170.7	0	0	0	111.8	L415 S416 L417 N422 A423	L415-L419 HydrophobicContact CD1-CD1 4.24Å; L415-L419 HydrophobicContact CD1-CG 4.3Å; L415-L419 HydrophobicContact CG-CD1 4.03Å; L415-L419 WeakPolarHBondContact O-CB 3.3Å; L415-L419 WeakPolarHBondContact O-CG 3.35Å; L415-L419 PolarHBondContact O-N 3.42Å; S416-L419 PolarHBondContact O-N 2.79Å; L417-L419 PolarHBondContact O-N 2.87Å; L419-N422 PolarHBondContact O-N 3.34Å; L419-A423 PolarHBondContact O-N 2.98Å
420	A	69.6	Low	60.7	Low	60 Å²	60	99.3 Å²	99.3	50%	0.496	53%	0.526	S	S	.	.	H	α-helix	trans	-62.5	-42.4	173.2	0	0	0	0	0	111.4	S416 L417 N422 A423 E424	S416-A420 VanDerWaalsContact O-CB 3.31Å; S416-A420 WeakPolarHBondContact O-CB 3.3Å; S416-A420 PolarHBondContact O-N 2.9Å; L417-A420 PolarHBondContact O-N 3.08Å; A420-N422 VanDerWaalsContact C-N 3.34Å; A420-N422 PolarHBondContact O-N 3.45Å; A420-A423 PolarHBondContact O-N 3.4Å; A420-E424 WeakPolarHBondContact O-CB 3.25Å; A420-E424 PolarHBondContact O-N 3.36Å
421	Q	62.8	Low	61	Low	116 Å²	116	102.8 Å²	102.8	54%	0.542	53%	0.527	S	S	.	.	H	α-helix	trans	-65.5	-35.3	175.6	-168.6	173.3	8.5	0	0	112.1	L417 L425	L417-Q421 VanDerWaalsContact O-CB 3.26Å; L417-Q421 WeakPolarHBondContact O-CB 3.49Å; L417-Q421 PolarHBondContact O-N 3.23Å; Q421-L425 HydrophobicContact CG-CD1 4.29Å; Q421-L425 VanDerWaalsContact O-CB 3.3Å; Q421-L425 WeakPolarHBondContact O-CB 3.13Å; Q421-L425 WeakPolarHBondContact O-CD1 3.47Å; Q421-L425 WeakPolarHBondContact O-CG 3.09Å; Q421-L425 PolarHBondContact O-N 2.75Å
422	N	59.4	Low	61	Low	81 Å²	81	101.6 Å²	101.6	43%	0.433	52%	0.522	S	S	.	.	H	α-helix	trans	-68.4	-36.2	171.4	-88.5	-76.3	0	0	0	112.8	A418 L419 A420 R426	A418-N422 WeakPolarHBondContact O-CB 3.39Å; A418-N422 PolarHBondContact O-N 3.29Å; A418-N422 PolarHBondContact O-ND2 3.34Å; L419-N422 PolarHBondContact O-N 3.34Å; A420-N422 VanDerWaalsContact C-N 3.34Å; A420-N422 PolarHBondContact O-N 3.45Å; N422-R426 WeakPolarHBondContact O-CB 3.19Å; N422-R426 VanDerWaalsContact O-CG 3.24Å; N422-R426 WeakPolarHBondContact O-CG 3.35Å; N422-R426 PolarHBondContact O-N 2.68Å
423	A	62	Low	60.8	Low	59 Å²	59	100.4 Å²	100.4	49%	0.488	52%	0.521	S	S	.	.	H	α-helix	trans	-67.9	-43.4	173.8	0	0	0	0	0	111.7	L419 A420 R426 S427	L419-A423 PolarHBondContact O-N 2.98Å; A420-A423 PolarHBondContact O-N 3.4Å; A423-R426 PolarHBondContact O-N 3.29Å; A423-S427 VanDerWaalsContact O-CB 3.28Å; A423-S427 WeakPolarHBondContact O-CB 3.46Å; A423-S427 PolarHBondContact O-N 3.49Å
424	E	68.2	Low	60	Low	95 Å²	95	96 Å²	96	44%	0.444	51%	0.511	S	S	.	.	H	α-helix	trans	-57.3	-47.9	171.3	179.3	72.5	-158.4	0	0	111	A420 S427 R428	A420-E424 WeakPolarHBondContact O-CB 3.25Å; A420-E424 PolarHBondContact O-N 3.36Å; E424-S427 PolarHBondContact O-N 2.68Å; E424-R428 WeakPolarHBondContact O-CB 3.34Å; E424-R428 VanDerWaalsContact O-CG 3.29Å; E424-R428 WeakPolarHBondContact O-CG 3.38Å; E424-R428 PolarHBondContact O-N 2.95Å; E424-R428 IonicContact OE1-CZ 2.81Å; E424-R428 IonicContact OE1-NE 3.73Å; E424-R428 PolarHBondContact OE1-NE 3.02Å; E424-R428 IonicContact OE1-NH2 3.23Å; E424-R428 PolarHBondContact OE1-NH2 2.76Å
425	L	58.8	Low	59.4	Low	95 Å²	95	97.1 Å²	97.1	50%	0.497	51%	0.508	S	S	.	.	H	α-helix	trans	-65	-41.5	178	-75.4	167.9	0	0	0	112.5	Q421 R428 L429	Q421-L425 HydrophobicContact CG-CD1 4.29Å; Q421-L425 VanDerWaalsContact O-CB 3.3Å; Q421-L425 WeakPolarHBondContact O-CB 3.13Å; Q421-L425 WeakPolarHBondContact O-CD1 3.47Å; Q421-L425 WeakPolarHBondContact O-CG 3.09Å; Q421-L425 PolarHBondContact O-N 2.75Å; L425-R428 PolarHBondContact O-N 2.85Å; L425-L429 VanDerWaalsContact O-CB 3.31Å; L425-L429 WeakPolarHBondContact O-CB 3.42Å; L425-L429 PolarHBondContact O-N 3.06Å
426	R	60.8	Low	58.9	Low	175 Å²	175	96 Å²	96	66%	0.66	51%	0.509	S	S	*	.	H	α-helix	trans	-65.6	-38.5	173.8	-73.7	171.9	-178.3	-167.3	-0.1	112.2	N422 A423 L429 N430	N422-R426 WeakPolarHBondContact O-CB 3.19Å; N422-R426 VanDerWaalsContact O-CG 3.24Å; N422-R426 WeakPolarHBondContact O-CG 3.35Å; N422-R426 PolarHBondContact O-N 2.68Å; A423-R426 PolarHBondContact O-N 3.29Å; R426-L429 PolarHBondContact O-N 3.04Å; R426-N430 WeakPolarHBondContact O-CB 3.44Å; R426-N430 VanDerWaalsContact O-CG 3.31Å; R426-N430 PolarHBondContact O-N 3.44Å
427	S	60.6	Low	57.8	Low	79 Å²	79	98.9 Å²	98.9	55%	0.552	52%	0.516	S	S	*	.	H	α-helix	trans	-64.2	-45.7	174.5	-173.2	0	0	0	0	111.2	A423 E424 N430 R431	A423-S427 VanDerWaalsContact O-CB 3.28Å; A423-S427 WeakPolarHBondContact O-CB 3.46Å; A423-S427 PolarHBondContact O-N 3.49Å; E424-S427 PolarHBondContact O-N 2.68Å; S427-N430 PolarHBondContact O-N 2.79Å; S427-R431 WeakPolarHBondContact O-CB 3.34Å; S427-R431 PolarHBondContact O-N 3.33Å
428	R	60.3	Low	56.5	Low	137 Å²	137	100.1 Å²	100.1	52%	0.517	52%	0.523	S	S	.	.	H	α-helix	trans	-62.5	-41.9	173.4	-71.8	175.5	-172.9	-157.1	4.5	112.3	E424 L425 R431 I432	E424-R428 WeakPolarHBondContact O-CB 3.34Å; E424-R428 VanDerWaalsContact O-CG 3.29Å; E424-R428 WeakPolarHBondContact O-CG 3.38Å; E424-R428 PolarHBondContact O-N 2.95Å; E424-R428 IonicContact OE1-CZ 2.81Å; E424-R428 IonicContact OE1-NE 3.73Å; E424-R428 PolarHBondContact OE1-NE 3.02Å; E424-R428 IonicContact OE1-NH2 3.23Å; E424-R428 PolarHBondContact OE1-NH2 2.76Å; L425-R428 PolarHBondContact O-N 2.85Å; R428-R431 PolarHBondContact O-N 2.93Å; R428-I432 WeakPolarHBondContact O-CB 3.29Å; R428-I432 WeakPolarHBondContact O-CD1 3.36Å; R428-I432 VanDerWaalsContact O-CG1 3.22Å; R428-I432 WeakPolarHBondContact O-CG1 3.18Å; R428-I432 PolarHBondContact O-N 3.36Å
429	L	57.4	Low	55.6	Low	89 Å²	89	104 Å²	104	47%	0.466	54%	0.543	S	S	.	.	H	α-helix	trans	-64.1	-44.3	176.8	-170.3	71.9	0	0	0	111.4	L425 R426 R431 I432 H433	L425-L429 VanDerWaalsContact O-CB 3.31Å; L425-L429 WeakPolarHBondContact O-CB 3.42Å; L425-L429 PolarHBondContact O-N 3.06Å; R426-L429 PolarHBondContact O-N 3.04Å; L429-R431 VanDerWaalsContact C-N 3.32Å; L429-R431 PolarHBondContact O-N 1.84Å; L429-I432 PolarHBondContact O-N 3.27Å; L429-H433 PolarHBondContact O-N 2.78Å
430	N	50.4	Low	54.4	Low	109 Å²	109	108.5 Å²	108.5	58%	0.583	56%	0.561	S	S	*	*	H	α-helix	trans	-63.3	-37.7	173.8	-75.2	-9.6	0	0	0	112	R426 S427 H433 S434	R426-N430 WeakPolarHBondContact O-CB 3.44Å; R426-N430 VanDerWaalsContact O-CG 3.31Å; R426-N430 PolarHBondContact O-N 3.44Å; S427-N430 PolarHBondContact O-N 2.79Å; N430-H433 PolarHBondContact O-N 3.41Å; N430-S434 PolarHBondContact O-N 2.81Å; N430-S434 PolarHBondContact O-OG 2.77Å
431	R	62.4	Low	52.6	Low	146 Å²	146	114.6 Å²	114.6	55%	0.551	58%	0.579	S	S	*	*	H	α-helix	trans	-66.3	-45.9	174.9	-151.9	-169.9	77.6	-158.8	0.6	111.1	S427 R428 L429 H433 S434 E435	S427-R431 WeakPolarHBondContact O-CB 3.34Å; S427-R431 PolarHBondContact O-N 3.33Å; R428-R431 PolarHBondContact O-N 2.93Å; L429-R431 VanDerWaalsContact C-N 3.32Å; L429-R431 PolarHBondContact O-N 1.84Å; R431-H433 VanDerWaalsContact C-N 3.32Å; R431-H433 PolarHBondContact O-N 3.29Å; R431-S434 WeakPolarHBondContact CA-OG 3.5Å; R431-S434 CarbonylContact O-C 3.54Å; R431-S434 PolarHBondContact O-N 3.29Å; R431-S434 VanDerWaalsContact O-N 3.1Å; R431-S434 PolarHBondContact O-OG 3.47Å; R431-E435 WeakPolarHBondContact CD-OE1 3.34Å; R431-E435 HydrophobicContact CG-CG 4.44Å; R431-E435 IonicContact CZ-OE1 3.2Å; R431-E435 IonicContact CZ-OE2 3.52Å; R431-E435 VanDerWaalsContact NE-CD 3.29Å; R431-E435 IonicContact NE-OE1 2.62Å; R431-E435 PolarHBondContact NE-OE1 2.85Å; R431-E435 IonicContact NE-OE2 2.66Å; R431-E435 PolarHBondContact NE-OE2 2.97Å; R431-E435 VanDerWaalsContact NE-OE2 3.16Å; R431-E435 IonicContact NH2-OE1 2.74Å; R431-E435 IonicContact NH2-OE2 2.63Å; R431-E435 PolarHBondContact NH2-OE2 3.35Å; R431-E435 WeakPolarHBondContact O-CB 2.99Å; R431-E435 VanDerWaalsContact O-CG 3.28Å; R431-E435 WeakPolarHBondContact O-CG 3.32Å; R431-E435 PolarHBondContact O-N 3.42Å
432	I	56.5	Low	51.1	Low	95 Å²	95	115.4 Å²	115.4	49%	0.487	59%	0.592	S	S	.	*	H	α-helix	trans	-57.9	-43.3	173.5	-71	162.6	0	0	0	110.5	R428 L429 E435 S436	R428-I432 WeakPolarHBondContact O-CB 3.29Å; R428-I432 WeakPolarHBondContact O-CD1 3.36Å; R428-I432 VanDerWaalsContact O-CG1 3.22Å; R428-I432 WeakPolarHBondContact O-CG1 3.18Å; R428-I432 PolarHBondContact O-N 3.36Å; L429-I432 PolarHBondContact O-N 3.27Å; I432-E435 PolarHBondContact O-N 3.15Å; I432-S436 WeakPolarHBondContact O-CB 3.39Å; I432-S436 PolarHBondContact O-N 2.95Å; I432-S436 PolarHBondContact O-OG 3.37Å; I432-S436 VanDerWaalsContact O-OG 3.1Å
433	H	50.7	Low	49.6	Very low	98 Å²	98	117.6 Å²	117.6	45%	0.454	61%	0.607	S	S	.	*	H	α-helix	trans	-59.7	-47.6	172.9	-73.5	-179.2	0	0	0	111.6	L429 N430 R431 E435 S436 I437	L429-H433 PolarHBondContact O-N 2.78Å; N430-H433 PolarHBondContact O-N 3.41Å; R431-H433 VanDerWaalsContact C-N 3.32Å; R431-H433 PolarHBondContact O-N 3.29Å; H433-E435 VanDerWaalsContact C-N 3.34Å; H433-E435 PolarHBondContact O-N 2.76Å; H433-S436 WeakPolarHBondContact CA-OG 3.27Å; H433-S436 PolarHBondContact O-N 3.39Å; H433-S436 PolarHBondContact O-OG 3.36Å; H433-I437 WeakPolarHBondContact O-CD1 3.34Å; H433-I437 VanDerWaalsContact O-CG1 3.31Å; H433-I437 WeakPolarHBondContact O-CG1 3.23Å; H433-I437 PolarHBondContact O-N 3.31Å
434	S	47.8	Very low	48	Very low	69 Å²	69	119.3 Å²	119.3	48%	0.483	62%	0.616	S	S	.	*	H	α-helix	trans	-65.8	-32.6	177.6	67.3	0	0	0	0	114	N430 R431	N430-S434 PolarHBondContact O-N 2.81Å; N430-S434 PolarHBondContact O-OG 2.77Å; R431-S434 WeakPolarHBondContact CA-OG 3.5Å; R431-S434 CarbonylContact O-C 3.54Å; R431-S434 PolarHBondContact O-N 3.29Å; R431-S434 VanDerWaalsContact O-N 3.1Å; R431-S434 PolarHBondContact O-OG 3.47Å
435	E	48.4	Very low	46.1	Very low	96 Å²	96	120.4 Å²	120.4	45%	0.449	63%	0.629	S	S	.	*	H	α-helix	trans	-75.9	-35.1	176.5	-71.8	167.8	165.7	0	0	110.5	R431 I432 H433 I437 L438	R431-E435 WeakPolarHBondContact CD-OE1 3.34Å; R431-E435 HydrophobicContact CG-CG 4.44Å; R431-E435 IonicContact CZ-OE1 3.2Å; R431-E435 IonicContact CZ-OE2 3.52Å; R431-E435 VanDerWaalsContact NE-CD 3.29Å; R431-E435 IonicContact NE-OE1 2.62Å; R431-E435 PolarHBondContact NE-OE1 2.85Å; R431-E435 IonicContact NE-OE2 2.66Å; R431-E435 PolarHBondContact NE-OE2 2.97Å; R431-E435 VanDerWaalsContact NE-OE2 3.16Å; R431-E435 IonicContact NH2-OE1 2.74Å; R431-E435 IonicContact NH2-OE2 2.63Å; R431-E435 PolarHBondContact NH2-OE2 3.35Å; R431-E435 WeakPolarHBondContact O-CB 2.99Å; R431-E435 VanDerWaalsContact O-CG 3.28Å; R431-E435 WeakPolarHBondContact O-CG 3.32Å; R431-E435 PolarHBondContact O-N 3.42Å; I432-E435 PolarHBondContact O-N 3.15Å; H433-E435 VanDerWaalsContact C-N 3.34Å; H433-E435 PolarHBondContact O-N 2.76Å; E435-I437 VanDerWaalsContact C-N 3.35Å; E435-I437 PolarHBondContact O-N 2.75Å; E435-L438 PolarHBondContact O-N 3.05Å
436	S	46.1	Very low	44.5	Very low	76 Å²	76	122.5 Å²	122.5	53%	0.531	64%	0.64	S	S	.	*	H	α-helix	trans	-73.1	-20.6	177.6	69.5	0	0	0	0	114.7	I432 H433 L438	I432-S436 WeakPolarHBondContact O-CB 3.39Å; I432-S436 PolarHBondContact O-N 2.95Å; I432-S436 PolarHBondContact O-OG 3.37Å; I432-S436 VanDerWaalsContact O-OG 3.1Å; H433-S436 WeakPolarHBondContact CA-OG 3.27Å; H433-S436 PolarHBondContact O-N 3.39Å; H433-S436 PolarHBondContact O-OG 3.36Å; S436-L438 PolarHBondContact O-N 3.01Å
437	I	45.6	Very low	42.9	Very low	134 Å²	134	120.3 Å²	120.3	69%	0.687	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-7.1	177	-73	165.4	0	0	0	112.2	H433 E435	H433-I437 WeakPolarHBondContact O-CD1 3.34Å; H433-I437 VanDerWaalsContact O-CG1 3.31Å; H433-I437 WeakPolarHBondContact O-CG1 3.23Å; H433-I437 PolarHBondContact O-N 3.31Å; E435-I437 VanDerWaalsContact C-N 3.35Å; E435-I437 PolarHBondContact O-N 2.75Å
438	L	43	Very low	41.3	Very low	145 Å²	145	124.3 Å²	124.3	76%	0.759	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.1	34.4	-175.4	-75	177.5	0	0	0	116	E435 S436	E435-L438 PolarHBondContact O-N 3.05Å; S436-L438 PolarHBondContact O-N 3.01Å
439	T	36.7	Very low	39.5	Very low	123 Å²	123	121.9 Å²	121.9	76%	0.755	66%	0.664	S	S	*	*			trans	-155.4	70.6	156.1	13.6	0	0	0	0	114.5
440	E	35.1	Very low	38	Very low	202 Å²	202	123.9 Å²	123.9	94%	0.944	68%	0.68	S	S	*	*			trans	-99.2	83	150.1	-86.2	-154.2	134	0	0	110.5
441	Q	30.9	Very low	37.4	Very low	188 Å²	188	123.6 Å²	123.6	88%	0.879	68%	0.684	S	S	*	*			trans	-105.2	124.1	152.1	-140.3	173.9	12.3	0	0	106.8
442	V	31.9	Very low	35.6	Very low	133 Å²	133	122.8 Å²	122.8	81%	0.806	69%	0.69	S	S	*	*			trans	-68.1	142.2	-161.7	-173	0	0	0	0	112.7
443	V	27.1	Very low	34.1	Very low	126 Å²	126	126.7 Å²	126.7	76%	0.764	71%	0.706	S	S	*	*			trans	166.4	88.8	132.3	160.3	0	0	0	0	112
444	S	29.1	Very low	32.8	Very low	96 Å²	96	125.6 Å²	125.6	67%	0.671	72%	0.715	S	S	*	*			trans	27.5	139.5	137.4	63.4	0	0	0	0	123.8
445	V	27.9	Very low	31.7	Very low	117 Å²	117	128.3 Å²	128.3	71%	0.709	73%	0.728	S	S	*	*				159	128.9	112.7	160.5	0	0	0	0	113.5
446	N	26.5	Very low	30.5	Very low	139 Å²	139	130.5 Å²	130.5	74%	0.743	74%	0.738	S	S	*	*			trans	63.1	159.9	157.7	-72	-0.8	0	0	0	121.8
447	I	27.5	Very low	29.6	Very low	130 Å²	130	133.3 Å²	133.3	67%	0.667	74%	0.743	S	S	*	*			cis	-169.9	138.6	-38.7	-130.5	170.6	0	0	0	109
448	I	25.7	Very low	28.5	Very low	162 Å²	162	135.2 Å²	135.2	83%	0.831	75%	0.751	S	S	*	*			trans	63.5	145.7	160.4	-67.2	173	0	0	0	116.4
449	A	23.6	Very low	27.6	Very low	87 Å²	87	131.1 Å²	131.1	72%	0.719	74%	0.744	S	S	*	*			cis	-142.7	169.1	7.8	0	0	0	0	0	113.1
450	T	26.1	Very low	27.1	Very low	131 Å²	131	132.8 Å²	132.8	80%	0.804	75%	0.747	S	S	*	*			trans	-79.8	-179.6	151	46	0	0	0	0	110.1
451	P	36.5	Very low	27	Very low	102 Å²	102	126.6 Å²	126.6	66%	0.662	72%	0.724	S	S	*	*			cis	-136.7	-155.5	14.1	46.6	-25.2	0	0	0	112.7
452	D	24.8	Very low	26.8	Very low	130 Å²	130	122.4 Å²	122.4	70%	0.695	71%	0.707	S	S	*	*			cis	-154.9	174.7	8.2	-128.7	-27.6	0	0	0	113
453	E	24.7	Very low	26.5	Very low	176 Å²	176	120 Å²	120	82%	0.822	69%	0.692	S	S	*	*			trans	28.5	150.3	148.7	-69.5	-174.4	161.9	0	0	123.2
454	A	23.7	Very low	26.5	Very low	76 Å²	76	120.2 Å²	120.2	63%	0.628	69%	0.685	S	S	*	*			cis	-174.9	173.3	-14.8	0	0	0	0	0	110.6
455	V	24.2	Very low	26.5	Very low	125 Å²	125	121.1 Å²	121.1	76%	0.758	68%	0.679	S	S	*	*			trans	48.2	130.4	133.8	164.2	0	0	0	0	119.3
456	E	23.6	Very low	26.2	Very low	142 Å²	142	119.2 Å²	119.2	66%	0.664	68%	0.675	S	S	*	*			cis	-164.4	-176.9	6.4	-120.9	-179.6	161.7	0	0	114
457	Q	26.8	Very low	26.6	Very low	135 Å²	135	114.5 Å²	114.5	63%	0.631	65%	0.653	S	S	*	*			trans	3.9	154.5	145.1	-63	170.6	40.7	0	0	119.9
458	M	23.7	Very low	26.6	Very low	174 Å²	174	112.4 Å²	112.4	86%	0.857	64%	0.643	S	S	*	*			cis	-162.2	170.8	17.4	-120.6	165.3	-163.8	0	0	107.4
459	G	23.9	Very low	26.6	Very low	59 Å²	59	107 Å²	107	61%	0.608	61%	0.614	S	S	*	*			cis	147.8	124.4	-9	0	0	0	0	0	113.8
460	I	26.2	Very low	26.9	Very low	159 Å²	159	105 Å²	105	82%	0.815	60%	0.595	S	S	*	*			trans	70.6	170.1	155.9	-64.5	166.4	0	0	0	113.7
461	P	32.1	Very low	27	Very low	72 Å²	72	105.3 Å²	105.3	47%	0.468	58%	0.582	S	S	.	*			cis	-108.3	154.8	-3.4	4.1	22.3	0	0	0	116.7
462	L	27.3	Very low	26.5	Very low	100 Å²	100	107.2 Å²	107.2	52%	0.524	59%	0.585	S	S	.	*				73.5	169.9	95.6	-58.9	175	0	0	0	114.3	E514	L462-E514 HydrophobicContact CB-CB 4.49Å; L462-E514 VanDerWaalsContact CB-OE1 3.27Å; L462-E514 WeakPolarHBondContact CB-OE1 3.46Å; L462-E514 HydrophobicContact CD1-CB 4.1Å
463	T	26.1	Very low	26.6	Very low	81 Å²	81	106 Å²	106	50%	0.497	59%	0.588	S	S	.	*			cis	-117.2	-173.1	-1.9	15.1	0	0	0	0	110.7	E514	T463-E514 VanDerWaalsContact CB-OE1 3.3Å; T463-E514 WeakPolarHBondContact CB-OE1 3.2Å; T463-E514 HydrophobicContact CG2-CB 4.39Å; T463-E514 HydrophobicContact CG2-CG 3.85Å; T463-E514 VanDerWaalsContact CG2-OE1 3.27Å; T463-E514 WeakPolarHBondContact CG2-OE1 3.31Å; T463-E514 PolarHBondContact N-OE1 2.92Å; T463-E514 VanDerWaalsContact N-OE1 3.11Å; T463-E514 PolarHBondContact OG1-OE1 3.42Å
464	Q	27.1	Very low	26.7	Very low	131 Å²	131	103.5 Å²	103.5	61%	0.612	58%	0.577	S	S	*	*			cis	77.1	149.4	31.9	-46.2	-164.2	73.2	0	0	116.4
465	Q	28.1	Very low	26.7	Very low	116 Å²	116	104.7 Å²	104.7	54%	0.542	58%	0.581	S	S	.	*			cis	-154	168.2	6.5	-142.9	170.8	54.6	0	0	114.4
466	A	23.2	Very low	26.9	Very low	76 Å²	76	106.9 Å²	106.9	63%	0.628	58%	0.583	S	S	*	*			trans	30.5	157.2	142.2	0	0	0	0	0	124.2
467	S	34.4	Very low	27	Very low	41 Å²	41	104 Å²	104	29%	0.287	58%	0.579	S	S	.	*			cis	170	-177.1	-31.9	51.6	0	0	0	0	109.4	E763	S467-E763 WeakPolarHBondContact CA-OE1 3.37Å; S467-E763 VanDerWaalsContact CB-CD 3.47Å; S467-E763 WeakPolarHBondContact CB-OE1 3.33Å
468	N	27.6	Very low	27	Very low	85 Å²	85	100.6 Å²	100.6	46%	0.455	57%	0.567	S	S	.	*			trans	110.2	102.8	152.9	-50.8	-19.7	0	0	0	119.7	N760 E763 Q765	N468-N760 PolarHBondContact N-OD1 2.92Å; N468-N760 PolarHBondContact O-ND2 3.23Å; N468-E763 WeakPolarHBondContact CA-OE2 3.38Å; N468-E763 PolarHBondContact N-OE2 2.63Å; N468-Q765 PolarHBondContact OD1-NE2 2.89Å
469	E	26.1	Very low	27.2	Very low	49 Å²	49	95.6 Å²	95.6	23%	0.229	55%	0.549	C	S	.	.				48.1	152.2	120.3	-66.9	-126.8	-169.8	0	0	124.1	T750 V752 N760 Q765	E469-T750 WeakPolarHBondContact OE1-CB 3.35Å; E469-T750 WeakPolarHBondContact OE2-CG2 3.19Å; E469-V752 HydrophobicContact CG-CB 4.46Å; E469-V752 HydrophobicContact CG-CG1 4.23Å; E469-V752 HydrophobicContact CG-CG2 3.43Å; E469-V752 VanDerWaalsContact CG-CG2 3.43Å; E469-V752 WeakPolarHBondContact OE1-CG2 3.37Å; E469-N760 PolarHBondContact N-ND2 2.93Å; E469-Q765 VanDerWaalsContact CG-CD 3.42Å; E469-Q765 HydrophobicContact CG-CG 3.8Å; E469-Q765 WeakPolarHBondContact OE1-CB 3.29Å; E469-Q765 VanDerWaalsContact OE1-CG 3.23Å; E469-Q765 WeakPolarHBondContact OE1-CG 3.16Å; E469-Q765 PolarHBondContact OE1-N 2.66Å
470	S	29.5	Very low	27.9	Very low	45 Å²	45	95.5 Å²	95.5	32%	0.315	53%	0.533	S	S	.	.			cis	179.8	-178.3	-17.7	-96.2	0	0	0	0	111.8
471	R	27.3	Very low	28.4	Very low	137 Å²	137	90.1 Å²	90.1	52%	0.517	50%	0.503	S	S	.	.			trans	78.2	149.5	155.7	-40.4	-170.9	94.4	87.6	-4.6	117.2	E734 T750	R471-E734 IonicContact CZ-OE2 2.76Å; R471-E734 IonicContact NH1-OE2 3.54Å; R471-E734 IonicContact NH2-OE2 3.49Å; R471-E734 PolarHBondContact NH2-OE2 3.41Å; R471-T750 PolarHBondContact NH1-OG1 2.96Å
472	L	27.2	Very low	29	Very low	142 Å²	142	88 Å²	88	74%	0.743	49%	0.487	S	S	*	.			cis	-163.7	172.3	-17.8	-112.6	175.7	0	0	0	112.4
473	S	26	Very low	29.7	Very low	106 Å²	106	84.2 Å²	84.2	74%	0.741	47%	0.467	S	S	*	.			trans	97.4	155.5	153.3	-151.4	0	0	0	0	121.6
474	M	26.4	Very low	30.2	Very low	123 Å²	123	80.8 Å²	80.8	61%	0.606	45%	0.447	S	S	*	.			trans	-143.8	168.2	-154	-87	-179.9	48	0	0	115.2
475	S	24	Very low	30.7	Very low	101 Å²	101	79.5 Å²	79.5	71%	0.706	44%	0.441	S	S	*	.			trans	152.9	137.4	147.9	173.2	0	0	0	0	111.4
476	E	27.9	Very low	31.2	Very low	170 Å²	170	78.1 Å²	78.1	79%	0.794	44%	0.435	S	S	*	.			cis	-162.5	131.4	-23.4	178.2	177.2	-146.2	0	0	108
477	S	25.6	Very low	31.7	Very low	83 Å²	83	81.1 Å²	81.1	58%	0.58	45%	0.445	S	S	*	.			trans	-168	149.7	159.1	56.6	0	0	0	0	109.1
478	V	27.4	Very low	31.6	Very low	62 Å²	62	85.7 Å²	85.7	38%	0.376	47%	0.465	S	S	.	.			trans	-122.6	133.4	-171.1	176.6	0	0	0	0	110.9	E480 K683	V478-E480 HydrophobicContact CG1-CG 3.75Å; V478-E480 WeakPolarHBondContact CG1-OE1 3.43Å; V478-K683 VanDerWaalsContact CG2-CE 3.48Å
479	S	29	Very low	31.6	Very low	69 Å²	69	90 Å²	90	48%	0.483	49%	0.488	S	S	.	.			trans	-137.2	85.6	172.8	-60.4	0	0	0	0	108.4	N684	S479-N684 CarbonylContact C-O 3.45Å; S479-N684 VanDerWaalsContact O-O 3.14Å
480	E	37.3	Very low	31.7	Very low	57 Å²	57	93.6 Å²	93.6	27%	0.266	52%	0.518	S	S	.	.			trans	-71.4	146	179.7	-76.3	157.5	-159.4	0	0	111	V478 F482 S570 K683 N684	V478-E480 HydrophobicContact CG1-CG 3.75Å; V478-E480 WeakPolarHBondContact CG1-OE1 3.43Å; E480-F482 HydrophobicContact CB-CD2 4.32Å; E480-F482 HydrophobicContact CB-CE1 4.4Å; E480-F482 HydrophobicContact CB-CE2 3.64Å; E480-F482 HydrophobicContact CB-CZ 3.68Å; E480-F482 HydrophobicContact CG-CE2 4.2Å; E480-F482 HydrophobicContact CG-CZ 3.89Å; E480-F482 WeakPolarHBondContact OE2-CE2 3.22Å; E480-S570 WeakPolarHBondContact O-CB 3.33Å; E480-K683 HydrophobicContact CG-CG 4.03Å; E480-K683 WeakPolarHBondContact OE1-CE 3.33Å; E480-K683 WeakPolarHBondContact OE1-CG 3.4Å; E480-K683 IonicContact OE1-NZ 2.68Å; E480-K683 PolarHBondContact OE1-NZ 3.26Å; E480-N684 WeakPolarHBondContact CA-O 3.27Å
481	F	36.6	Very low	31.4	Very low	46 Å²	46	96.5 Å²	96.5	20%	0.202	54%	0.544	C	S	.	.			trans	-123.2	118	177.3	-84.7	-113.6	0	0	0	108.3	L569 N684 F686	F481-L569 WeakPolarHBondContact CD1-O 3.23Å; F481-L569 HydrophobicContact CE1-CB 3.83Å; F481-L569 VanDerWaalsContact CE1-O 3.26Å; F481-L569 WeakPolarHBondContact CE1-O 3.42Å; F481-L569 HydrophobicContact CE2-CB 4.45Å; F481-L569 HydrophobicContact CZ-CB 3.55Å; F481-L569 HydrophobicContact CZ-CD1 4.36Å; F481-N684 HydrophobicContact CB-CB 4.4Å; F481-N684 PolarHBondContact O-ND2 3.1Å; F481-F686 HydrophobicContact CD2-CB 4.17Å; F481-F686 HydrophobicContact CE2-CB 3.41Å; F481-F686 VanDerWaalsContact CE2-CB 3.41Å; F481-F686 HydrophobicContact CE2-CG 4.21Å; F481-F686 HydrophobicContact CZ-CB 3.83Å; F481-F686 HydrophobicContact CZ-CD1 4.18Å; F481-F686 HydrophobicContact CZ-CG 4.12Å
482	F	45.4	Very low	31.2	Very low	29 Å²	29	95.6 Å²	95.6	13%	0.127	56%	0.559	C	S	.	*			trans	-139.5	131.1	-179.2	-54.7	-49	0	0	0	109.2	E480 A484 S570 P663	E480-F482 HydrophobicContact CB-CD2 4.32Å; E480-F482 HydrophobicContact CB-CE1 4.4Å; E480-F482 HydrophobicContact CB-CE2 3.64Å; E480-F482 HydrophobicContact CB-CZ 3.68Å; E480-F482 HydrophobicContact CG-CE2 4.2Å; E480-F482 HydrophobicContact CG-CZ 3.89Å; E480-F482 WeakPolarHBondContact OE2-CE2 3.22Å; F482-A484 PolarHBondContact O-N 3.47Å; F482-S570 PolarHBondContact N-O 3.41Å; F482-P663 HydrophobicContact CD1-CG 3.68Å; F482-P663 VanDerWaalsContact CE1-CD 3.49Å; F482-P663 HydrophobicContact CE1-CG 3.33Å; F482-P663 HydrophobicContact CG-CG 4.48Å; F482-P663 VanDerWaalsContact CZ-CD 3.45Å; F482-P663 HydrophobicContact CZ-CG 3.87Å
483	D	42.3	Very low	31	Very low	20 Å²	20	93.9 Å²	93.9	11%	0.107	56%	0.559	C	S	.	*	S	Bend	trans	-65.6	-2.6	-176.1	-50.7	-94.7	0	0	0	114.2	M574 K632	D483-M574 PolarHBondContact OD1-N 3.33Å; D483-K632 IonicContact OD1-NZ 3.47Å; D483-K632 PolarHBondContact OD1-NZ 3.44Å; D483-K632 IonicContact OD2-NZ 2.76Å; D483-K632 PolarHBondContact OD2-NZ 2.62Å
484	A	35.9	Very low	30.9	Very low	9 Å²	9	92.9 Å²	92.9	7%	0.074	55%	0.552	C	S	.	*	S	Bend	trans	-111.6	122.2	175	0	0	0	0	0	113.5	F482 H660 H661	F482-A484 PolarHBondContact O-N 3.47Å; A484-H660 WeakPolarHBondContact CB-NE2 3.35Å; A484-H661 PolarHBondContact O-CE1 2.89Å; A484-H661 VanDerWaalsContact O-CE1 3.31Å
485	Q	38.2	Very low	30.9	Very low	103 Å²	103	95.4 Å²	95.4	48%	0.481	56%	0.562	S	S	.	*			trans	-60.4	137.4	-179.5	-171.2	178.9	17.5	0	0	114.8	K571 R869	Q485-K571 HydrophobicContact CB-CG 4.44Å; Q485-K571 HydrophobicContact CG-CD 4.38Å; Q485-K571 HydrophobicContact CG-CG 4.18Å; Q485-R869 PolarHBondContact O-NH1 2.98Å
486	E	38.9	Very low	30.9	Very low	88 Å²	88	97.7 Å²	97.7	41%	0.411	57%	0.567	S	S	.	*			trans	-127.2	164.2	170.5	-75	-145.6	122.6	0	0	113.9	K571 H661	E486-K571 WeakPolarHBondContact O-CE 3.15Å; E486-K571 PolarHBondContact O-NZ 3.15Å; E486-H661 WeakPolarHBondContact CG-CD2 3.49Å; E486-H661 WeakPolarHBondContact CG-NE2 3.33Å; E486-H661 WeakPolarHBondContact OE1-CB 3.35Å; E486-H661 IonicContact OE1-CD2 2.9Å; E486-H661 PolarHBondContact OE1-CD2 2.6Å; E486-H661 IonicContact OE1-CG 3.61Å; E486-H661 VanDerWaalsContact OE1-CG 3.32Å; E486-H661 IonicContact OE1-NE2 2.72Å
487	V	33.9	Very low	31	Very low	139 Å²	139	95.7 Å²	95.7	84%	0.842	56%	0.558	S	S	*	*			trans	-126.5	130.3	173.6	178.6	0	0	0	0	109.1
488	L	31.1	Very low	31.1	Very low	136 Å²	136	95.1 Å²	95.1	71%	0.712	56%	0.564	S	S	*	*			trans	-81.9	142.4	-165.6	-64.8	171.2	0	0	0	114.9
489	L	28.1	Very low	31.1	Very low	177 Å²	177	96.9 Å²	96.9	93%	0.927	58%	0.58	S	S	*	*			trans	-136.1	157.1	148.6	-73.6	179.3	0	0	0	109.9
490	S	28.3	Very low	31.2	Very low	124 Å²	124	98.4 Å²	98.4	87%	0.867	58%	0.582	S	S	*	*			trans	-111.4	151.8	-153.6	-41.3	0	0	0	0	116.1
491	A	23.4	Very low	30.8	Very low	105 Å²	105	102 Å²	102	87%	0.868	60%	0.603	S	S	*	*			trans	-146	176.7	161.5	0	0	0	0	0	111.2
492	S	23.1	Very low	30.4	Very low	119 Å²	119	107.6 Å²	107.6	83%	0.832	63%	0.63	S	S	*	*			trans	-148.4	174.8	-163.3	-178.7	0	0	0	0	113.3
493	S	22.6	Very low	29.5	Very low	106 Å²	106	110.7 Å²	110.7	74%	0.741	66%	0.655	S	S	*	*			trans	81	150.3	170.5	-106.9	0	0	0	0	117.6
494	S	24.1	Very low	28.9	Very low	85 Å²	85	119.8 Å²	119.8	59%	0.594	69%	0.69	S	S	*	*			cis	-179.8	138.8	-26.4	43	0	0	0	0	111.6
495	E	24.9	Very low	28.4	Very low	175 Å²	175	124.2 Å²	124.2	82%	0.818	72%	0.716	S	S	*	*			trans	64.3	158.7	157.2	-65.5	173.8	-155.8	0	0	116.9
496	N	25.4	Very low	27.9	Very low	149 Å²	149	124.8 Å²	124.8	80%	0.797	73%	0.731	S	S	*	*			cis	-153.2	168.7	-13.9	-121.2	-21.2	0	0	0	109.7
497	E	29.1	Very low	27.2	Very low	129 Å²	129	128 Å²	128	60%	0.603	75%	0.751	S	S	*	*			trans	-113.1	154.2	177.3	-65.2	178.6	129.9	0	0	113.9	K86	K86-E497 IonicContact NZ-OE2 2.96Å
498	G	27.6	Very low	26.9	Very low	70 Å²	70	128.5 Å²	128.5	72%	0.722	75%	0.754	S	S	*	*			trans	-142.4	140.2	146.8	0	0	0	0	0	108.6
499	S	28.2	Very low	26.7	Very low	100 Å²	100	126.8 Å²	126.8	70%	0.699	75%	0.753	S	S	*	*			cis	93.6	122.6	37.2	179.3	0	0	0	0	112.8
500	D	31	Very low	26.6	Very low	100 Å²	100	125 Å²	125	54%	0.535	75%	0.745	S	S	.	*			cis	-133.1	-110	-29	-78.2	-67.9	0	0	0	108.3	W83	W83-D500 WeakPolarHBondContact CH2-OD2 3.3Å
501	D	29.3	Very low	26.5	Very low	132 Å²	132	125.8 Å²	125.8	71%	0.706	74%	0.739	S	S	*	*			cis	-163.5	132.2	-20.1	-144	21.6	0	0	0	109.8
502	E	28.6	Very low	26.9	Very low	164 Å²	164	128 Å²	128	77%	0.766	74%	0.735	S	S	*	*			trans	57.2	160	153.8	-67.9	-51.6	150.6	0	0	122.3
503	S	26.7	Very low	27	Very low	94 Å²	94	127.5 Å²	127.5	66%	0.657	73%	0.731	S	S	*	*			cis	-162.4	176.4	-7.8	49.1	0	0	0	0	112.7
504	Y	28.8	Very low	27.4	Very low	211 Å²	211	125.9 Å²	125.9	83%	0.827	71%	0.712	S	S	*	*			trans	100.1	118.9	144	-144.8	-93.1	0	0	0	121.4
505	V	26	Very low	27.5	Very low	103 Å²	103	126.6 Å²	126.6	62%	0.624	71%	0.709	S	S	*	*			trans	-69.5	157.6	179.4	-81.2	0	0	0	0	116.2
506	S	26.1	Very low	27.7	Very low	115 Å²	115	125.4 Å²	125.4	80%	0.804	71%	0.709	S	S	*	*				-174.6	144.2	117.7	29.4	0	0	0	0	113
507	D	24.7	Very low	27.9	Very low	156 Å²	156	123.2 Å²	123.2	83%	0.834	71%	0.711	S	S	*	*			trans	-96.9	143.3	177.3	-45	-87.4	0	0	0	111.9
508	V	28.2	Very low	27.9	Very low	149 Å²	149	121.9 Å²	121.9	90%	0.903	72%	0.716	S	S	*	*			trans	-144.6	141.9	158.8	-177.6	0	0	0	0	109
509	S	25.7	Very low	28.1	Very low	99 Å²	99	125.2 Å²	125.2	69%	0.692	72%	0.722	S	S	*	*			trans	-89.5	155.6	-168.1	-49.7	0	0	0	0	116
510	D	26.4	Very low	28.3	Very low	140 Å²	140	127.2 Å²	127.2	75%	0.749	73%	0.73	S	S	*	*			trans	26.8	125.4	141.6	-45.5	-29.9	0	0	0	120.4
511	N	26.8	Very low	28.2	Very low	141 Å²	141	129.3 Å²	129.3	75%	0.754	74%	0.741	S	S	*	*				-176.1	129.9	103	-98.6	-72.4	0	0	0	114.3
512	I	31.5	Very low	28.2	Very low	150 Å²	150	130.8 Å²	130.8	77%	0.769	75%	0.749	S	S	*	*			trans	32.5	119.8	140.7	-55.1	171.5	0	0	0	119.7
513	S	24.9	Very low	28.4	Very low	109 Å²	109	129.5 Å²	129.5	76%	0.762	75%	0.753	S	S	*	*				-161.9	155.8	123.7	-154.3	0	0	0	0	112
514	E	30.8	Very low	28.9	Very low	73 Å²	73	130 Å²	130	34%	0.341	76%	0.756	S	S	.	*			trans	-105.7	-169.1	176.6	-50.8	-153	118.8	0	0	111.7	L462 T463	L462-E514 HydrophobicContact CB-CB 4.49Å; L462-E514 VanDerWaalsContact CB-OE1 3.27Å; L462-E514 WeakPolarHBondContact CB-OE1 3.46Å; L462-E514 HydrophobicContact CD1-CB 4.1Å; T463-E514 VanDerWaalsContact CB-OE1 3.3Å; T463-E514 WeakPolarHBondContact CB-OE1 3.2Å; T463-E514 HydrophobicContact CG2-CB 4.39Å; T463-E514 HydrophobicContact CG2-CG 3.85Å; T463-E514 VanDerWaalsContact CG2-OE1 3.27Å; T463-E514 WeakPolarHBondContact CG2-OE1 3.31Å; T463-E514 PolarHBondContact N-OE1 2.92Å; T463-E514 VanDerWaalsContact N-OE1 3.11Å; T463-E514 PolarHBondContact OG1-OE1 3.42Å
515	D	27.4	Very low	28.9	Very low	99 Å²	99	131.6 Å²	131.6	53%	0.529	76%	0.761	S	S	.	*			trans	78.4	158.4	170	-68.2	-29.1	0	0	0	121.3
516	N	29.2	Very low	29.2	Very low	151 Å²	151	135.8 Å²	135.8	81%	0.807	77%	0.774	S	S	*	*			trans	80.6	79.1	-178.1	-58.3	-63.5	0	0	0	117.7
517	A	28.9	Very low	29.3	Very low	103 Å²	103	139.7 Å²	139.7	85%	0.851	78%	0.781	S	S	*	*			trans	-129.5	83.3	161.9	0	0	0	0	0	110.9
518	S	29	Very low	29.5	Very low	101 Å²	101	136.7 Å²	136.7	71%	0.706	78%	0.778	S	S	*	*			trans	-151.8	33.2	-169.9	53.7	0	0	0	0	116
519	V	32.6	Very low	29.7	Very low	139 Å²	139	137.7 Å²	137.7	84%	0.842	78%	0.778	S	S	*	*			trans	-136.3	75.6	175.5	-166	0	0	0	0	113
520	T	31.3	Very low	29.8	Very low	142 Å²	142	135.3 Å²	135.3	87%	0.871	77%	0.77	S	S	*	*	S	Bend	trans	-148.3	-21	163.1	35.9	0	0	0	0	114.5	N522	T520-N522 PolarHBondContact O-N 3.14Å; T520-N522 VanDerWaalsContact O-N 3.16Å
521	D	29.7	Very low	30	Very low	144 Å²	144	136.9 Å²	136.9	77%	0.77	78%	0.778	S	S	*	*			trans	-91.3	69.2	-170.8	-167.4	26.2	0	0	0	113.3
522	N	28.8	Very low	30.3	Very low	163 Å²	163	139.2 Å²	139.2	87%	0.872	78%	0.782	S	S	*	*			trans	-146.2	32.3	-174.3	-122.2	-13.8	0	0	0	115.2	T520	T520-N522 PolarHBondContact O-N 3.14Å; T520-N522 VanDerWaalsContact O-N 3.16Å
523	V	33.3	Very low	30.5	Very low	138 Å²	138	137.1 Å²	137.1	84%	0.836	79%	0.787	S	S	*	*	S	Bend	trans	-126.3	-18.6	175.6	-175.8	0	0	0	0	113.1
524	S	36.2	Very low	30.9	Very low	105 Å²	105	135.1 Å²	135.1	73%	0.734	78%	0.783	S	S	*	*			trans	-107.8	51.6	-163.8	-58.3	0	0	0	0	115.3
525	R	29.6	Very low	30.9	Very low	243 Å²	243	136.8 Å²	136.8	92%	0.917	80%	0.803	S	S	*	*			trans	-142.3	86.7	168.7	-77.6	-163.1	176.6	-170.6	-0.3	114.6
526	Q	31.2	Very low	31.4	Very low	192 Å²	192	135.2 Å²	135.2	90%	0.897	80%	0.804	S	S	*	*			trans	-164.4	154.8	143.4	-110	169.7	36.8	0	0	110.6
527	M	28.9	Very low	32.2	Very low	197 Å²	197	137.7 Å²	137.7	97%	0.97	81%	0.808	S	S	*	*			trans	91.2	141.2	-165.6	-57.3	-64.8	179.3	0	0	114.4
528	A	30.1	Very low	33.2	Very low	92 Å²	92	144.1 Å²	144.1	76%	0.76	81%	0.81	S	S	*	*			trans	-133.5	149.2	-168.2	0	0	0	0	0	112.9
529	N	31.3	Very low	34.8	Very low	170 Å²	170	142.6 Å²	142.6	91%	0.909	79%	0.794	S	S	*	*			trans	47.5	116.8	166.7	-67.3	12.8	0	0	0	119.4
530	G	28.6	Very low	37	Very low	50 Å²	50	139.6 Å²	139.6	52%	0.515	79%	0.791	S	S	.	*	S	Bend	trans	146.5	103.2	159.4	0	0	0	0	0	114.3	F532	G530-F532 VanDerWaalsContact O-CD2 3.29Å; G530-F532 WeakPolarHBondContact O-CD2 3.4Å
531	D	29.5	Very low	39.8	Very low	172 Å²	172	135.7 Å²	135.7	92%	0.92	76%	0.76	S	S	*	*			trans	41.3	71.8	154.7	-55.9	-15.2	0	0	0	118.9
532	F	34.3	Very low	42.8	Very low	190 Å²	190	130.9 Å²	130.9	83%	0.833	73%	0.731	S	S	*	*			trans	-99.6	78.3	172.1	-90.9	-92.2	0	0	0	113.7	G530	G530-F532 VanDerWaalsContact O-CD2 3.29Å; G530-F532 WeakPolarHBondContact O-CD2 3.4Å
533	A	34.2	Very low	45.7	Very low	107 Å²	107	128.9 Å²	128.9	88%	0.884	72%	0.719	S	S	*	*	S	Bend	trans	-141	67.3	167.8	0	0	0	0	0	111.6
534	G	33.4	Very low	48.6	Very low	66 Å²	66	124.7 Å²	124.7	68%	0.68	70%	0.696	S	S	*	*	S	Bend	trans	158.4	-3.5	171.9	0	0	0	0	0	119.3
535	S	31.2	Very low	51.4	Low	108 Å²	108	119.9 Å²	119.9	76%	0.755	66%	0.662	S	S	*	*			trans	-113.5	38.6	-168.3	-165.2	0	0	0	0	116
536	A	38.7	Very low	54.5	Low	66 Å²	66	112.7 Å²	112.7	55%	0.545	65%	0.647	S	S	.	*	S	Bend	trans	-129.1	158.9	164.2	0	0	0	0	0	110.1
537	F	45.2	Very low	57.6	Low	204 Å²	204	104.3 Å²	104.3	90%	0.895	61%	0.61	S	S	*	*			trans	64.3	54.6	176.4	-44	-69.8	0	0	0	116.7
538	R	49.3	Very low	60.8	Low	237 Å²	237	98.4 Å²	98.4	89%	0.894	59%	0.586	S	S	*	*			trans	-119.8	77.5	163.3	-71.8	-168.1	177.4	-135.5	-0.2	112.2
539	N	63.4	Low	63.8	Low	70 Å²	70	96.1 Å²	96.1	37%	0.374	56%	0.564	S	S	.	*	S	Bend	trans	-82.7	6.5	163.5	69.4	-9.8	0	0	0	112.7	R541 E820	N539-R541 VanDerWaalsContact C-N 3.25Å; N539-R541 PolarHBondContact O-N 2.9Å; N539-R541 PolarHBondContact OD1-N 2.92Å; N539-R541 VanDerWaalsContact OD1-N 3.12Å; N539-E820 PolarHBondContact ND2-OE1 3.44Å; N539-E820 VanDerWaalsContact ND2-OE1 3.08Å
540	G	78.5	Confident	66.6	Low	75 Å²	75	89.5 Å²	89.5	77%	0.773	53%	0.53	S	S	*	.	S	Bend	trans	80.2	-12.6	-178.6	0	0	0	0	0	115.7
541	R	89.8	Confident	69.2	Low	60 Å²	60	92.4 Å²	92.4	23%	0.226	53%	0.534	C	S	.	.			trans	-87.4	144.4	-171.7	-56.3	-178.6	-175.3	-88.9	2	112.9	N539 I645 D648 R816 E820 E823	N539-R541 VanDerWaalsContact C-N 3.25Å; N539-R541 PolarHBondContact O-N 2.9Å; N539-R541 PolarHBondContact OD1-N 2.92Å; N539-R541 VanDerWaalsContact OD1-N 3.12Å; R541-I645 PolarHBondContact NH2-O 3.24Å; R541-D648 IonicContact NH2-OD1 2.68Å; R541-R816 PolarHBondContact O-NH2 2.97Å; R541-E820 HydrophobicContact CB-CB 4.48Å; R541-E820 HydrophobicContact CB-CG 3.8Å; R541-E820 WeakPolarHBondContact CB-OE1 3.4Å; R541-E820 VanDerWaalsContact CD-CD 3.44Å; R541-E823 WeakPolarHBondContact CA-OE2 3.36Å; R541-E823 WeakPolarHBondContact CB-OE2 3.3Å
542	R	92.6	Very high	71.5	Confident	43 Å²	43	86.8 Å²	86.8	16%	0.162	51%	0.506	C	S	.	.			trans	-54	151.7	179.9	67.1	-173.7	-174.8	170.2	5.9	113.3	R816 I819 E823 E847	R542-R816 PolarHBondContact O-NH2 3.26Å; R542-I819 HydrophobicContact CG-CG2 4.17Å; R542-I819 PolarHBondContact NE-O 3.47Å; R542-I819 PolarHBondContact NH2-O 2.91Å; R542-E823 WeakPolarHBondContact CB-OE1 3.34Å; R542-E823 HydrophobicContact CG-CB 4.36Å; R542-E823 HydrophobicContact CG-CG 4.27Å; R542-E823 WeakPolarHBondContact CG-OE1 3.26Å; R542-E823 PolarHBondContact N-OE1 3.37Å; R542-E823 PolarHBondContact N-OE2 3.36Å; R542-E847 IonicContact CZ-OE1 3.18Å; R542-E847 IonicContact NH1-OE1 2.83Å; R542-E847 PolarHBondContact NH1-OE1 3.46Å; R542-E847 IonicContact NH1-OE2 3.19Å; R542-E847 IonicContact NH2-OE1 2.7Å; R542-E847 PolarHBondContact NH2-OE1 3.04Å
543	I	91	Very high	73.2	Confident	121 Å²	121	82 Å²	82	62%	0.621	50%	0.496	S	S	*	.	S	Bend	trans	-107.3	-14.2	-172.6	79.2	178.2	0	0	0	113.6	R816	I543-R816 VanDerWaalsContact CG2-NH1 3.3Å
544	C	93.7	Very high	74.6	Confident	50 Å²	50	83.3 Å²	83.3	34%	0.338	49%	0.489	S	S	.	.	S	Bend	trans	-148.3	172.8	-177.8	57	0	0	0	0	109.7	Y811	C544-Y811 HydrophobicContact CB-CD2 4.47Å; C544-Y811 HydrophobicContact CB-CE1 4.41Å; C544-Y811 HydrophobicContact CB-CE2 3.77Å
545	L	95.6	Very high	76.4	Confident	4 Å²	4	81.8 Å²	81.8	2%	0.021	46%	0.464	C	S	.	.			trans	-90.1	160	169.5	-52.6	179.7	0	0	0	110.7	A547 P581 Y811 Y812 F814 I819 E847	L545-A547 VanDerWaalsContact C-N 3.26Å; L545-A547 PolarHBondContact O-N 2.91Å; L545-P581 HydrophobicContact CD1-CG 4.06Å; L545-Y811 HydrophobicContact CB-CD1 3.61Å; L545-Y811 HydrophobicContact CB-CE1 3.91Å; L545-Y811 HydrophobicContact CB-CG 4.49Å; L545-Y811 HydrophobicContact CD1-CD1 4.07Å; L545-Y811 HydrophobicContact CG-CD1 3.83Å; L545-Y811 HydrophobicContact CG-CG 4.3Å; L545-Y811 WeakPolarHBondContact O-CE1 3.46Å; L545-Y812 HydrophobicContact CD1-CD2 3.75Å; L545-Y812 HydrophobicContact CD1-CE2 4.02Å; L545-F814 HydrophobicContact CD1-CD2 4.08Å; L545-F814 HydrophobicContact CD1-CE2 3.97Å; L545-F814 HydrophobicContact CD2-CD2 4.36Å; L545-F814 HydrophobicContact CD2-CE2 4.41Å; L545-I819 HydrophobicContact CD2-CG2 4.39Å; L545-E847 HydrophobicContact CD2-CG 4.42Å
546	P	94.6	Very high	78.2	Confident	93 Å²	93	80.2 Å²	80.2	60%	0.604	45%	0.448	S	S	*	.	S	Bend	trans	-60.6	-32.3	178.9	-22.3	34	0	0	0	114
547	A	96.4	Very high	79.6	Confident	15 Å²	15	77.6 Å²	77.6	12%	0.124	42%	0.424	C	S	.	.	S	Bend	trans	-134.8	154.2	177.4	0	0	0	0	0	111.6	L545 E847	L545-A547 VanDerWaalsContact C-N 3.26Å; L545-A547 PolarHBondContact O-N 2.91Å; A547-E847 PolarHBondContact N-O 3.48Å
548	P	95.3	Very high	80.5	Confident	73 Å²	73	74.1 Å²	74.1	47%	0.474	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-70	163.1	167.3	32.8	-36.3	0	0	0	111.3	L810	P548-L810 CarbonylContact C-O 3.47Å; P548-L810 VanDerWaalsContact CA-O 3.26Å; P548-L810 WeakPolarHBondContact CA-O 3.5Å; P548-L810 HydrophobicContact CB-CB 4.15Å
549	C	92.8	Very high	81.4	Confident	44 Å²	44	66.4 Å²	66.4	30%	0.297	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-65	146.5	175.9	62	0	0	0	0	112.4	L810 Y812	C549-L810 PolarHBondContact N-O 3.48Å; C549-L810 PolarHBondContact SG-O 3.42Å; C549-L810 VanDerWaalsContact SG-O 3.42Å; C549-Y812 HydrophobicContact CB-CD1 3.62Å; C549-Y812 HydrophobicContact CB-CD2 3.82Å; C549-Y812 HydrophobicContact CB-CE1 3.48Å; C549-Y812 VanDerWaalsContact CB-CE1 3.48Å; C549-Y812 HydrophobicContact CB-CE2 3.67Å; C549-Y812 HydrophobicContact CB-CG 3.79Å
550	P	90.5	Very high	81.6	Confident	31 Å²	31	64.7 Å²	64.7	20%	0.201	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-66.9	150.6	179.5	28.7	-35.6	0	0	0	112.1	T552 E577 Y812 L846 V851	P550-T552 PolarHBondContact O-N 3.13Å; P550-T552 VanDerWaalsContact O-N 3.17Å; P550-E577 HydrophobicContact CG-CB 4.21Å; P550-Y812 VanDerWaalsContact CD-OH 3.23Å; P550-Y812 WeakPolarHBondContact CD-OH 3.36Å; P550-L846 HydrophobicContact CG-CD1 4.36Å; P550-V851 HydrophobicContact CB-CG2 3.89Å; P550-V851 HydrophobicContact CG-CG2 4.2Å
551	D	83.4	Confident	80.8	Confident	111 Å²	111	62.6 Å²	62.6	59%	0.594	34%	0.343	S	S	*	.			trans	-69.8	112.4	173.2	177.2	26.6	0	0	0	111	S553	D551-S553 VanDerWaalsContact CG-OG 3.23Å; D551-S553 WeakPolarHBondContact OD1-CB 3.47Å; D551-S553 PolarHBondContact OD1-N 3.19Å; D551-S553 PolarHBondContact OD1-OG 3.46Å; D551-S553 VanDerWaalsContact OD1-OG 3.13Å; D551-S553 PolarHBondContact OD2-OG 2.98Å
552	T	78.3	Confident	79.5	Confident	55 Å²	55	67 Å²	67	34%	0.337	36%	0.36	S	S	.	.			trans	-90.6	2	178.7	60.3	0	0	0	0	113.6	P550 N554 I555 E577 L578	P550-T552 PolarHBondContact O-N 3.13Å; P550-T552 VanDerWaalsContact O-N 3.17Å; T552-N554 PolarHBondContact O-N 2.66Å; T552-I555 HydrophobicContact CG2-CD1 4.04Å; T552-I555 WeakPolarHBondContact O-CB 3.45Å; T552-I555 PolarHBondContact O-N 2.92Å; T552-E577 WeakPolarHBondContact CG2-O 3.1Å; T552-L578 HydrophobicContact CG2-CD2 4Å
553	S	70.1	Confident	77.8	Confident	88 Å²	88	70.4 Å²	70.4	62%	0.615	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-36.5	-177.3	73.3	0	0	0	0	113.6	D551 I555	D551-S553 VanDerWaalsContact CG-OG 3.23Å; D551-S553 WeakPolarHBondContact OD1-CB 3.47Å; D551-S553 PolarHBondContact OD1-N 3.19Å; D551-S553 PolarHBondContact OD1-OG 3.46Å; D551-S553 VanDerWaalsContact OD1-OG 3.13Å; D551-S553 PolarHBondContact OD2-OG 2.98Å; S553-I555 VanDerWaalsContact C-N 3.3Å; S553-I555 PolarHBondContact O-N 3.19Å
554	N	63.3	Low	75.9	Confident	136 Å²	136	65.9 Å²	65.9	73%	0.727	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-11.6	-179.2	-65	-69	0	0	0	113.3	T552 N556	T552-N554 PolarHBondContact O-N 2.66Å; N554-N556 PolarHBondContact O-N 2.85Å
555	I	71	Confident	73.6	Confident	33 Å²	33	69.2 Å²	69.2	17%	0.169	37%	0.372	C	S	.	.			trans	-87.1	82	-171	-50.2	-177.8	0	0	0	110.7	T552 S553 L557 I560 P575 E577 L578	T552-I555 HydrophobicContact CG2-CD1 4.04Å; T552-I555 WeakPolarHBondContact O-CB 3.45Å; T552-I555 PolarHBondContact O-N 2.92Å; S553-I555 VanDerWaalsContact C-N 3.3Å; S553-I555 PolarHBondContact O-N 3.19Å; I555-L557 PolarHBondContact O-N 3.1Å; I555-I560 HydrophobicContact CG2-CD1 4.26Å; I555-P575 HydrophobicContact CG2-CG 4.49Å; I555-E577 HydrophobicContact CD1-CB 3.33Å; I555-E577 HydrophobicContact CD1-CG 4.01Å; I555-L578 HydrophobicContact CD1-CD2 4.3Å; I555-L578 HydrophobicContact CD1-CG 4.31Å; I555-L578 HydrophobicContact CG2-CD1 3.91Å; I555-L578 HydrophobicContact CG2-CD2 4.36Å; I555-L578 HydrophobicContact CG2-CG 4.18Å
556	N	68.7	Low	70.9	Confident	76 Å²	76	73.1 Å²	73.1	41%	0.406	41%	0.412	S	S	.	.			trans	-70	92.8	173.7	-174	-8.8	0	0	0	111.2	N554 W558 N559 I560	N554-N556 PolarHBondContact O-N 2.85Å; N556-W558 PolarHBondContact O-N 3.36Å; N556-W558 VanDerWaalsContact O-N 3.13Å; N556-W558 WeakPolarHBondContact OD1-CA 3.48Å; N556-W558 WeakPolarHBondContact OD1-CB 3.37Å; N556-W558 PolarHBondContact OD1-N 2.74Å; N556-N559 HydrophobicContact CB-CB 4.35Å; N556-N559 WeakPolarHBondContact O-CB 3.42Å; N556-N559 PolarHBondContact O-N 3.16Å; N556-N559 PolarHBondContact OD1-N 3.39Å; N556-I560 PolarHBondContact O-N 2.78Å
557	L	68.1	Low	68.8	Low	10 Å²	10	74.5 Å²	74.5	5%	0.052	41%	0.409	C	S	.	.	H	α-helix	trans	-56.7	-24.9	173.8	-88	167.4	0	0	0	113.7	I555 N559 I560 L561 M574 L578 I722 L723	I555-L557 PolarHBondContact O-N 3.1Å; L557-N559 VanDerWaalsContact C-N 3.31Å; L557-N559 PolarHBondContact O-N 2.81Å; L557-I560 HydrophobicContact CD2-CB 4.49Å; L557-I560 HydrophobicContact CD2-CD1 4.11Å; L557-I560 PolarHBondContact O-N 3.27Å; L557-L561 PolarHBondContact O-N 3.42Å; L557-M574 HydrophobicContact CD2-CE 3.7Å; L557-M574 HydrophobicContact CD2-SD 4.31Å; L557-L578 HydrophobicContact CD1-CD1 3.95Å; L557-L578 HydrophobicContact CD2-CD1 3.68Å; L557-L578 HydrophobicContact CG-CD1 3.84Å; L557-I722 HydrophobicContact CD1-CG2 4.16Å; L557-I722 WeakPolarHBondContact CD1-O 3.5Å; L557-L723 HydrophobicContact CB-CD2 4.22Å
558	W	64.9	Low	66.3	Low	132 Å²	132	77.6 Å²	77.6	50%	0.5	42%	0.423	S	S	.	.	H	α-helix	trans	-65.2	-34.8	172.6	-141.4	103.2	0	0	0	111.5	N556 R562	N556-W558 PolarHBondContact O-N 3.36Å; N556-W558 VanDerWaalsContact O-N 3.13Å; N556-W558 WeakPolarHBondContact OD1-CA 3.48Å; N556-W558 WeakPolarHBondContact OD1-CB 3.37Å; N556-W558 PolarHBondContact OD1-N 2.74Å; W558-R562 HydrophobicContact CE3-CB 3.97Å; W558-R562 HydrophobicContact CZ3-CB 4Å; W558-R562 HydrophobicContact CZ3-CG 4.18Å; W558-R562 WeakPolarHBondContact O-CB 3.21Å; W558-R562 PolarHBondContact O-N 2.86Å
559	N	67.6	Low	63.7	Low	74 Å²	74	76.3 Å²	76.3	40%	0.396	41%	0.412	S	S	.	.	H	α-helix	trans	-67	-37.4	172.2	-72.4	-15.9	0	0	0	111.6	N556 L557 R562 N563	N556-N559 HydrophobicContact CB-CB 4.35Å; N556-N559 WeakPolarHBondContact O-CB 3.42Å; N556-N559 PolarHBondContact O-N 3.16Å; N556-N559 PolarHBondContact OD1-N 3.39Å; L557-N559 VanDerWaalsContact C-N 3.31Å; L557-N559 PolarHBondContact O-N 2.81Å; N559-R562 PolarHBondContact O-N 3.41Å; N559-N563 WeakPolarHBondContact O-CB 3.4Å; N559-N563 PolarHBondContact O-N 2.82Å; N559-N563 PolarHBondContact O-ND2 2.92Å; N559-N563 PolarHBondContact O-OD1 3.39Å
560	I	66.9	Low	61.4	Low	34 Å²	34	75.6 Å²	75.6	17%	0.174	41%	0.408	C	S	.	.	H	α-helix	trans	-66.2	-45.4	178.1	-58.3	-175.4	0	0	0	110.6	I555 N556 L557 N564 V572 P575	I555-I560 HydrophobicContact CG2-CD1 4.26Å; N556-I560 PolarHBondContact O-N 2.78Å; L557-I560 HydrophobicContact CD2-CB 4.49Å; L557-I560 HydrophobicContact CD2-CD1 4.11Å; L557-I560 PolarHBondContact O-N 3.27Å; I560-N564 PolarHBondContact O-ND2 3.39Å; I560-V572 HydrophobicContact CG2-CG1 3.75Å; I560-P575 HydrophobicContact CD1-CG 3.29Å
561	L	62.7	Low	59.5	Low	32 Å²	32	77.6 Å²	77.6	17%	0.168	41%	0.413	C	S	.	.	H	α-helix	trans	-65	-43.2	171.5	-69.6	-160.1	0	0	0	112	L557 N563 N564 I565 L569 F686 L723	L557-L561 PolarHBondContact O-N 3.42Å; L561-N563 PolarHBondContact O-N 2.86Å; L561-N564 CarbonylContact O-C 3.45Å; L561-N564 VanDerWaalsContact O-C 3.25Å; L561-N564 WeakPolarHBondContact O-CA 3.31Å; L561-N564 PolarHBondContact O-N 2.89Å; L561-I565 PolarHBondContact O-N 2.84Å; L561-L569 HydrophobicContact CD2-CD1 4.41Å; L561-L569 HydrophobicContact CD2-CD2 4.19Å; L561-F686 HydrophobicContact CD1-CE1 3.75Å; L561-F686 HydrophobicContact CD1-CZ 3.76Å; L561-L723 HydrophobicContact CD1-CD1 3.71Å; L561-L723 HydrophobicContact CD1-CD2 3.51Å; L561-L723 HydrophobicContact CD1-CG 4.23Å; L561-L723 HydrophobicContact CG-CD2 3.94Å
562	R	61.6	Low	58.2	Low	152 Å²	152	73.2 Å²	73.2	57%	0.574	39%	0.39	S	S	*	.	H	α-helix	trans	-56.1	-46.6	179.5	-177.6	-180	-178.3	154.5	0.5	112.4	W558 N559 N564 I565	W558-R562 HydrophobicContact CE3-CB 3.97Å; W558-R562 HydrophobicContact CZ3-CB 4Å; W558-R562 HydrophobicContact CZ3-CG 4.18Å; W558-R562 WeakPolarHBondContact O-CB 3.21Å; W558-R562 PolarHBondContact O-N 2.86Å; N559-R562 PolarHBondContact O-N 3.41Å; R562-N564 PolarHBondContact O-N 2.85Å; R562-N564 VanDerWaalsContact O-N 3.12Å; R562-I565 HydrophobicContact CB-CD1 4.44Å; R562-I565 HydrophobicContact CG-CD1 4.37Å; R562-I565 PolarHBondContact O-N 3.32Å
563	N	58.3	Low	57.6	Low	114 Å²	114	72.5 Å²	72.5	61%	0.61	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-4.8	179.2	-65.7	-9.4	0	0	0	113.1	N559 L561 K567	N559-N563 WeakPolarHBondContact O-CB 3.4Å; N559-N563 PolarHBondContact O-N 2.82Å; N559-N563 PolarHBondContact O-ND2 2.92Å; N559-N563 PolarHBondContact O-OD1 3.39Å; L561-N563 PolarHBondContact O-N 2.86Å; N563-K567 WeakPolarHBondContact O-CE 3.45Å; N563-K567 PolarHBondContact O-NZ 3.28Å
564	N	50.8	Low	57.7	Low	26 Å²	26	70.6 Å²	70.6	14%	0.139	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	11	176.4	-63.9	-67	0	0	0	113.1	I560 L561 R562 G566 K567 L569 V572	I560-N564 PolarHBondContact O-ND2 3.39Å; L561-N564 CarbonylContact O-C 3.45Å; L561-N564 VanDerWaalsContact O-C 3.25Å; L561-N564 WeakPolarHBondContact O-CA 3.31Å; L561-N564 PolarHBondContact O-N 2.89Å; R562-N564 PolarHBondContact O-N 2.85Å; R562-N564 VanDerWaalsContact O-N 3.12Å; N564-G566 PolarHBondContact O-N 3.2Å; N564-K567 HydrophobicContact CB-CB 4.48Å; N564-K567 HydrophobicContact CB-CD 4.29Å; N564-K567 WeakPolarHBondContact O-CB 3.41Å; N564-K567 PolarHBondContact O-N 2.92Å; N564-K567 WeakPolarHBondContact OD1-CD 3.41Å; N564-K567 WeakPolarHBondContact OD1-CE 3.26Å; N564-K567 PolarHBondContact OD1-NZ 2.91Å; N564-L569 HydrophobicContact CB-CD2 3.93Å; N564-L569 WeakPolarHBondContact O-CD2 3.3Å; N564-V572 HydrophobicContact CB-CG2 3.58Å; N564-V572 VanDerWaalsContact CG-CG2 3.5Å
565	I	45.7	Very low	58.6	Low	121 Å²	121	65.5 Å²	65.5	62%	0.621	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	132.6	169.9	-73.2	171.1	0	0	0	109.2	L561 R562 K567	L561-I565 PolarHBondContact O-N 2.84Å; R562-I565 HydrophobicContact CB-CD1 4.44Å; R562-I565 HydrophobicContact CG-CD1 4.37Å; R562-I565 PolarHBondContact O-N 3.32Å; I565-K567 PolarHBondContact O-N 3.47Å
566	G	38.9	Very low	59.6	Low	85 Å²	85	64.1 Å²	64.1	88%	0.876	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-8.2	-176.2	0	0	0	0	0	114.4	N564	N564-G566 PolarHBondContact O-N 3.2Å
567	K	48.7	Very low	60.6	Low	123 Å²	123	63.5 Å²	63.5	54%	0.535	33%	0.332	S	S	.	.	S	Bend	trans	-87.6	161	162.6	-51.8	-176.4	-155.1	159.1	0	109.5	N563 N564 I565 L569	N563-K567 WeakPolarHBondContact O-CE 3.45Å; N563-K567 PolarHBondContact O-NZ 3.28Å; N564-K567 HydrophobicContact CB-CB 4.48Å; N564-K567 HydrophobicContact CB-CD 4.29Å; N564-K567 WeakPolarHBondContact O-CB 3.41Å; N564-K567 PolarHBondContact O-N 2.92Å; N564-K567 WeakPolarHBondContact OD1-CD 3.41Å; N564-K567 WeakPolarHBondContact OD1-CE 3.26Å; N564-K567 PolarHBondContact OD1-NZ 2.91Å; I565-K567 PolarHBondContact O-N 3.47Å; K567-L569 PolarHBondContact O-N 2.9Å
568	D	44.8	Very low	61.5	Low	79 Å²	79	63.3 Å²	63.3	42%	0.422	33%	0.331	S	S	.	.			trans	-70.7	104.5	169.3	177.4	-0.5	0	0	0	109	S570 K571	D568-S570 PolarHBondContact O-N 2.82Å; D568-S570 VanDerWaalsContact O-N 3.1Å; D568-S570 WeakPolarHBondContact OD1-CB 3.32Å; D568-S570 PolarHBondContact OD1-N 3.48Å; D568-S570 PolarHBondContact OD1-OG 3.47Å; D568-S570 PolarHBondContact OD2-OG 2.84Å; D568-K571 HydrophobicContact CB-CD 4.05Å; D568-K571 PolarHBondContact O-N 3.34Å; D568-K571 VanDerWaalsContact O-N 3.13Å; D568-K571 VanDerWaalsContact OD2-CE 3.25Å; D568-K571 WeakPolarHBondContact OD2-CE 3.27Å; D568-K571 IonicContact OD2-NZ 3.19Å; D568-K571 PolarHBondContact OD2-NZ 2.99Å
569	L	41.6	Very low	62.8	Low	47 Å²	47	57.1 Å²	57.1	25%	0.246	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-62.5	-18.3	-172.1	-65.5	-179.5	0	0	0	113.5	F481 L561 N564 K567 K571 V572	F481-L569 WeakPolarHBondContact CD1-O 3.23Å; F481-L569 HydrophobicContact CE1-CB 3.83Å; F481-L569 VanDerWaalsContact CE1-O 3.26Å; F481-L569 WeakPolarHBondContact CE1-O 3.42Å; F481-L569 HydrophobicContact CE2-CB 4.45Å; F481-L569 HydrophobicContact CZ-CB 3.55Å; F481-L569 HydrophobicContact CZ-CD1 4.36Å; L561-L569 HydrophobicContact CD2-CD1 4.41Å; L561-L569 HydrophobicContact CD2-CD2 4.19Å; N564-L569 HydrophobicContact CB-CD2 3.93Å; N564-L569 WeakPolarHBondContact O-CD2 3.3Å; K567-L569 PolarHBondContact O-N 2.9Å; L569-K571 PolarHBondContact O-N 2.8Å; L569-K571 VanDerWaalsContact O-N 3.09Å; L569-V572 HydrophobicContact CD2-CG2 4.31Å; L569-V572 PolarHBondContact O-N 3.34Å
570	S	44.7	Very low	64.1	Low	29 Å²	29	53.6 Å²	53.6	20%	0.203	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-56.2	-24.7	173.7	65.5	0	0	0	0	113.3	E480 F482 D568	E480-S570 WeakPolarHBondContact O-CB 3.33Å; F482-S570 PolarHBondContact N-O 3.41Å; D568-S570 PolarHBondContact O-N 2.82Å; D568-S570 VanDerWaalsContact O-N 3.1Å; D568-S570 WeakPolarHBondContact OD1-CB 3.32Å; D568-S570 PolarHBondContact OD1-N 3.48Å; D568-S570 PolarHBondContact OD1-OG 3.47Å; D568-S570 PolarHBondContact OD2-OG 2.84Å
571	K	49.7	Very low	65.5	Low	72 Å²	72	52 Å²	52	31%	0.313	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-100.3	12	-171.7	-70.4	150	-174.9	167.7	0	114.3	Q485 E486 D568 L569 S573	Q485-K571 HydrophobicContact CB-CG 4.44Å; Q485-K571 HydrophobicContact CG-CD 4.38Å; Q485-K571 HydrophobicContact CG-CG 4.18Å; E486-K571 WeakPolarHBondContact O-CE 3.15Å; E486-K571 PolarHBondContact O-NZ 3.15Å; D568-K571 HydrophobicContact CB-CD 4.05Å; D568-K571 PolarHBondContact O-N 3.34Å; D568-K571 VanDerWaalsContact O-N 3.13Å; D568-K571 VanDerWaalsContact OD2-CE 3.25Å; D568-K571 WeakPolarHBondContact OD2-CE 3.27Å; D568-K571 IonicContact OD2-NZ 3.19Å; D568-K571 PolarHBondContact OD2-NZ 2.99Å; L569-K571 PolarHBondContact O-N 2.8Å; L569-K571 VanDerWaalsContact O-N 3.09Å; K571-S573 PolarHBondContact O-N 2.94Å
572	V	56.8	Low	67.2	Low	19 Å²	19	50.4 Å²	50.4	12%	0.115	27%	0.272	C	S	.	.			trans	-90.9	95.8	179.4	-176.8	0	0	0	0	108.6	I560 N564 L569 M574	I560-V572 HydrophobicContact CG2-CG1 3.75Å; N564-V572 HydrophobicContact CB-CG2 3.58Å; N564-V572 VanDerWaalsContact CG-CG2 3.5Å; L569-V572 HydrophobicContact CD2-CG2 4.31Å; L569-V572 PolarHBondContact O-N 3.34Å; V572-M574 PolarHBondContact O-N 3.04Å
573	S	65.3	Low	68.9	Low	41 Å²	41	43.2 Å²	43.2	29%	0.287	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-60.4	132	172.8	-168.7	0	0	0	0	109.3	K571 K858 E862	K571-S573 PolarHBondContact O-N 2.94Å; S573-K858 PolarHBondContact OG-NZ 2.62Å; S573-E862 PolarHBondContact OG-OE1 2.98Å; S573-E862 PolarHBondContact OG-OE2 3.22Å
574	M	71.7	Confident	70.6	Confident	47 Å²	47	38.6 Å²	38.6	23%	0.232	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-78.8	147.7	-175.7	-67.2	-73.3	-72.5	0	0	111.4	D483 L557 V572 L578 K632 K858	D483-M574 PolarHBondContact OD1-N 3.33Å; L557-M574 HydrophobicContact CD2-CE 3.7Å; L557-M574 HydrophobicContact CD2-SD 4.31Å; V572-M574 PolarHBondContact O-N 3.04Å; M574-L578 HydrophobicContact CE-CD1 3.76Å; M574-K632 HydrophobicContact CG-CD 4.28Å; M574-K858 WeakPolarHBondContact O-CE 3.41Å; M574-K858 PolarHBondContact O-NZ 2.8Å
575	P	83.3	Confident	72.8	Confident	30 Å²	30	37.4 Å²	37.4	20%	0.195	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-56.5	143.1	168.4	-18	27.4	0	0	0	111.6	I555 I560 E577 L578	I555-P575 HydrophobicContact CG2-CG 4.49Å; I560-P575 HydrophobicContact CD1-CG 3.29Å; P575-E577 WeakPolarHBondContact CB-OE2 3.4Å; P575-E577 PolarHBondContact O-N 2.77Å; P575-L578 HydrophobicContact CG-CD1 4.34Å; P575-L578 PolarHBondContact O-N 3.3Å
576	V	90.3	Very high	75.4	Confident	4 Å²	4	31.6 Å²	31.6	2%	0.024	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-69.5	-23.7	-175.2	73.3	0	0	0	0	112.4	L578 N579 F634 L846 V851 A854 K858	V576-L578 PolarHBondContact O-N 2.9Å; V576-N579 VanDerWaalsContact O-CB 3.3Å; V576-N579 WeakPolarHBondContact O-CB 3.46Å; V576-N579 PolarHBondContact O-N 3.5Å; V576-F634 HydrophobicContact CG2-CE1 4.08Å; V576-F634 HydrophobicContact CG2-CZ 3.75Å; V576-L846 HydrophobicContact CG2-CB 4.5Å; V576-L846 HydrophobicContact CG2-CD1 4.41Å; V576-L846 HydrophobicContact CG2-CD2 4.24Å; V576-L846 WeakPolarHBondContact O-CD2 3.37Å; V576-V851 HydrophobicContact CG1-CG1 4.13Å; V576-A854 HydrophobicContact CG1-CB 4.17Å; V576-A854 HydrophobicContact CG2-CB 3.82Å; V576-K858 HydrophobicContact CB-CD 4.01Å; V576-K858 HydrophobicContact CG2-CD 4.04Å
577	E	89.9	Confident	78.1	Confident	62 Å²	62	29.5 Å²	29.5	29%	0.29	15%	0.151	S	C	.	.	G	3₁₀ helix	trans	-67.3	-20.2	175.9	-51.9	96.1	126.7	0	0	112.6	P550 T552 I555 P575 V851	P550-E577 HydrophobicContact CG-CB 4.21Å; T552-E577 WeakPolarHBondContact CG2-O 3.1Å; I555-E577 HydrophobicContact CD1-CB 3.33Å; I555-E577 HydrophobicContact CD1-CG 4.01Å; P575-E577 WeakPolarHBondContact CB-OE2 3.4Å; P575-E577 PolarHBondContact O-N 2.77Å; E577-V851 HydrophobicContact CG-CG1 3.51Å
578	L	87.4	Confident	80.4	Confident	6 Å²	6	23.6 Å²	23.6	3%	0.031	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-93.5	-2.8	172.6	-62.5	176.8	0	0	0	112.3	T552 I555 L557 M574 P575 V576 K632	T552-L578 HydrophobicContact CG2-CD2 4Å; I555-L578 HydrophobicContact CD1-CD2 4.3Å; I555-L578 HydrophobicContact CD1-CG 4.31Å; I555-L578 HydrophobicContact CG2-CD1 3.91Å; I555-L578 HydrophobicContact CG2-CD2 4.36Å; I555-L578 HydrophobicContact CG2-CG 4.18Å; L557-L578 HydrophobicContact CD1-CD1 3.95Å; L557-L578 HydrophobicContact CD2-CD1 3.68Å; L557-L578 HydrophobicContact CG-CD1 3.84Å; M574-L578 HydrophobicContact CE-CD1 3.76Å; P575-L578 HydrophobicContact CG-CD1 4.34Å; P575-L578 PolarHBondContact O-N 3.3Å; V576-L578 PolarHBondContact O-N 2.9Å; L578-K632 WeakPolarHBondContact O-CB 3.5Å; L578-K632 PolarHBondContact O-N 2.78Å
579	N	92.2	Very high	82.9	Confident	2 Å²	2	19.9 Å²	19.9	1%	0.011	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	162.6	167.7	-77.4	102.7	0	0	0	111.4	V576 K632 P633 F634 Y812 L846	V576-N579 VanDerWaalsContact O-CB 3.3Å; V576-N579 WeakPolarHBondContact O-CB 3.46Å; V576-N579 PolarHBondContact O-N 3.5Å; N579-K632 CarbonylContact C-O 3.5Å; N579-K632 WeakPolarHBondContact CA-O 3.43Å; N579-K632 WeakPolarHBondContact CB-O 3.31Å; N579-K632 PolarHBondContact ND2-O 3.46Å; N579-P633 PolarHBondContact ND2-O 3.45Å; N579-F634 HydrophobicContact CB-CD2 4.22Å; N579-F634 HydrophobicContact CB-CE2 3.88Å; N579-F634 HydrophobicContact CB-CZ 4.05Å; N579-Y812 WeakPolarHBondContact O-CE1 3.27Å; N579-L846 HydrophobicContact CB-CD2 3.89Å
580	E	94.9	Very high	85.6	Confident	0 Å²	0	18 Å²	18	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	154.6	161.6	62.1	-163.2	165.5	0	0	109	L582 R587 R628 K632 P633 F634 Y812 F814	E580-L582 HydrophobicContact CG-CB 4.43Å; E580-L582 PolarHBondContact O-N 2.91Å; E580-R587 VanDerWaalsContact CD-NH2 3.3Å; E580-R587 IonicContact OE1-CZ 3.73Å; E580-R587 IonicContact OE1-NE 2.64Å; E580-R587 PolarHBondContact OE1-NE 2.95Å; E580-R587 IonicContact OE1-NH2 2.72Å; E580-R587 PolarHBondContact OE1-NH2 3.39Å; E580-R587 IonicContact OE2-CZ 2.69Å; E580-R587 IonicContact OE2-NE 2.73Å; E580-R587 IonicContact OE2-NH2 3.89Å; E580-R587 PolarHBondContact OE2-NH2 3.14Å; E580-R628 IonicContact OE1-NH2 2.66Å; E580-R628 PolarHBondContact OE1-NH2 2.92Å; E580-R628 IonicContact OE2-CZ 2.86Å; E580-R628 IonicContact OE2-NE 2.73Å; E580-R628 PolarHBondContact OE2-NE 3.13Å; E580-R628 IonicContact OE2-NH2 3.5Å; E580-R628 PolarHBondContact OE2-NH2 2.68Å; E580-K632 PolarHBondContact N-O 2.88Å; E580-P633 WeakPolarHBondContact OE1-CA 3.23Å; E580-P633 WeakPolarHBondContact OE1-CB 3.45Å; E580-P633 WeakPolarHBondContact OE1-CD 3.37Å; E580-F634 WeakPolarHBondContact O-CD2 3.26Å; E580-F634 VanDerWaalsContact O-CE2 3.25Å; E580-F634 WeakPolarHBondContact O-CE2 3.24Å; E580-Y812 HydrophobicContact CB-CD1 4.06Å; E580-Y812 HydrophobicContact CB-CG 4.38Å; E580-F814 HydrophobicContact CB-CE1 3.91Å; E580-F814 HydrophobicContact CB-CZ 4.05Å; E580-F814 HydrophobicContact CG-CE1 4.37Å
581	P	97.1	Very high	88.1	Confident	0 Å²	0	18 Å²	18	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	36.5	-179.5	30.2	-36.4	0	0	0	114.5	L545 Y812 F814 Q843 E847	L545-P581 HydrophobicContact CD1-CG 4.06Å; P581-Y812 VanDerWaalsContact CD-CE2 3.43Å; P581-Y812 VanDerWaalsContact CD-CZ 3.49Å; P581-Y812 HydrophobicContact CG-CD2 3.92Å; P581-Y812 HydrophobicContact CG-CE2 3.66Å; P581-F814 HydrophobicContact CG-CE2 4.08Å; P581-F814 HydrophobicContact CG-CZ 3.93Å; P581-Q843 WeakPolarHBondContact O-CG 3.5Å; P581-Q843 PolarHBondContact O-NE2 3.44Å; P581-E847 HydrophobicContact CB-CB 3.54Å; P581-E847 HydrophobicContact CB-CG 3.72Å; P581-E847 HydrophobicContact CG-CB 4.22Å; P581-E847 HydrophobicContact CG-CG 4Å
582	L	98.1	Very high	90.4	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	144.9	172.8	-68	174.5	0	0	0	110.2	E580 Q586 P633 F634 F814 A818 L821 N822	E580-L582 HydrophobicContact CG-CB 4.43Å; E580-L582 PolarHBondContact O-N 2.91Å; L582-Q586 HydrophobicContact CB-CB 4.35Å; L582-Q586 HydrophobicContact CD2-CB 4.04Å; L582-Q586 HydrophobicContact CD2-CG 4.28Å; L582-P633 CarbonylContact O-C 3.56Å; L582-P633 WeakPolarHBondContact O-CA 3.47Å; L582-P633 WeakPolarHBondContact O-CB 3.31Å; L582-F634 PolarHBondContact O-N 2.97Å; L582-F814 HydrophobicContact CB-CZ 4.39Å; L582-F814 HydrophobicContact CD1-CD2 4.21Å; L582-F814 HydrophobicContact CD1-CE1 4.1Å; L582-F814 HydrophobicContact CD1-CE2 3.58Å; L582-F814 HydrophobicContact CD1-CZ 3.52Å; L582-F814 HydrophobicContact CG-CE2 3.83Å; L582-F814 HydrophobicContact CG-CZ 3.7Å; L582-A818 HydrophobicContact CD1-CB 4.11Å; L582-L821 HydrophobicContact CD1-CD1 4.31Å; L582-L821 HydrophobicContact CD2-CB 3.81Å; L582-L821 HydrophobicContact CD2-CD1 4.49Å; L582-N822 HydrophobicContact CD2-CB 3.95Å
583	N	96.2	Very high	92.4	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	174.4	176	75.9	3.8	0	0	0	112.5	L585 Q586 R587 F634 P636 E640 A837	N583-L585 PolarHBondContact O-N 3.18Å; N583-L585 WeakPolarHBondContact OD1-CA 3.49Å; N583-L585 WeakPolarHBondContact OD1-CB 3.13Å; N583-L585 PolarHBondContact OD1-N 3.35Å; N583-Q586 PolarHBondContact O-N 2.95Å; N583-Q586 WeakPolarHBondContact OD1-CB 3.3Å; N583-Q586 WeakPolarHBondContact OD1-CG 3.14Å; N583-Q586 PolarHBondContact OD1-N 3.29Å; N583-Q586 PolarHBondContact OD1-OE1 3.11Å; N583-R587 PolarHBondContact O-N 3.05Å; N583-F634 VanDerWaalsContact CA-O 3.27Å; N583-F634 WeakPolarHBondContact CA-O 3.49Å; N583-F634 HydrophobicContact CB-CB 3.96Å; N583-F634 WeakPolarHBondContact CB-O 3.18Å; N583-P636 HydrophobicContact CB-CG 4.29Å; N583-E640 PolarHBondContact ND2-OE1 2.97Å; N583-A837 VanDerWaalsContact ND2-CB 3.29Å; N583-A837 WeakPolarHBondContact ND2-CB 3.28Å
584	T	94.9	Very high	94	Very high	18 Å²	18	13.7 Å²	13.7	11%	0.11	7%	0.066	C	C	.	.	H	α-helix	trans	-61.2	-30	176.3	-52.6	0	0	0	0	113.3	Q586 R587 M588 F634 W682	T584-Q586 VanDerWaalsContact C-N 3.34Å; T584-R587 PolarHBondContact O-N 3.48Å; T584-M588 WeakPolarHBondContact O-CG 3.5Å; T584-M588 PolarHBondContact O-N 2.7Å; T584-F634 PolarHBondContact N-O 2.96Å; T584-F634 VanDerWaalsContact N-O 3.12Å; T584-W682 HydrophobicContact CG2-CZ2 4.46Å; T584-W682 VanDerWaalsContact CG2-NE1 3.35Å
585	L	98.1	Very high	95.3	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-68.3	-34.7	178.5	-57	-173.4	0	0	0	112.3	N583 P636 E640 S655 Q657	N583-L585 PolarHBondContact O-N 3.18Å; N583-L585 WeakPolarHBondContact OD1-CA 3.49Å; N583-L585 WeakPolarHBondContact OD1-CB 3.13Å; N583-L585 PolarHBondContact OD1-N 3.35Å; L585-P636 HydrophobicContact CD1-CB 4.19Å; L585-P636 HydrophobicContact CD1-CG 4.47Å; L585-P636 HydrophobicContact CD2-CB 4.42Å; L585-P636 HydrophobicContact CD2-CG 4.11Å; L585-P636 HydrophobicContact CG-CB 3.97Å; L585-P636 HydrophobicContact CG-CG 3.72Å; L585-E640 HydrophobicContact CD1-CB 4.34Å; L585-E640 HydrophobicContact CD1-CG 4.3Å; L585-E640 WeakPolarHBondContact CD1-O 3.3Å; L585-S655 WeakPolarHBondContact CB-OG 3.5Å; L585-S655 PolarHBondContact O-OG 3.39Å; L585-Q657 HydrophobicContact CD2-CB 4.44Å
586	Q	98.6	Very high	96	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-75.7	-39.4	173.4	-74.1	162.8	-32.5	0	0	111.3	L582 N583 T584 M588 C589 E590 Y642 L821 N822	L582-Q586 HydrophobicContact CB-CB 4.35Å; L582-Q586 HydrophobicContact CD2-CB 4.04Å; L582-Q586 HydrophobicContact CD2-CG 4.28Å; N583-Q586 PolarHBondContact O-N 2.95Å; N583-Q586 WeakPolarHBondContact OD1-CB 3.3Å; N583-Q586 WeakPolarHBondContact OD1-CG 3.14Å; N583-Q586 PolarHBondContact OD1-N 3.29Å; N583-Q586 PolarHBondContact OD1-OE1 3.11Å; T584-Q586 VanDerWaalsContact C-N 3.34Å; Q586-M588 VanDerWaalsContact C-N 3.26Å; Q586-M588 PolarHBondContact O-N 2.72Å; Q586-C589 WeakPolarHBondContact O-CA 3.25Å; Q586-C589 VanDerWaalsContact O-CB 3.27Å; Q586-C589 WeakPolarHBondContact O-CB 3.5Å; Q586-C589 PolarHBondContact O-N 2.88Å; Q586-E590 PolarHBondContact O-N 2.87Å; Q586-E590 VanDerWaalsContact O-N 3.11Å; Q586-Y642 HydrophobicContact CB-CD1 4.42Å; Q586-Y642 HydrophobicContact CB-CE1 4.37Å; Q586-Y642 HydrophobicContact CG-CD1 3.65Å; Q586-Y642 HydrophobicContact CG-CD2 3.58Å; Q586-Y642 HydrophobicContact CG-CE1 3.68Å; Q586-Y642 HydrophobicContact CG-CE2 3.56Å; Q586-Y642 HydrophobicContact CG-CG 3.63Å; Q586-L821 HydrophobicContact CB-CD1 4.22Å; Q586-N822 PolarHBondContact NE2-OD1 3.29Å
587	R	95.8	Very high	96.4	Very high	40 Å²	40	13 Å²	13	15%	0.151	6%	0.06	C	C	.	.	H	α-helix	trans	-55.7	-39.4	170.3	-74.4	-62.7	-156	151.4	4.7	112.6	E580 N583 T584 C589 E590 R628 P633	E580-R587 VanDerWaalsContact CD-NH2 3.3Å; E580-R587 IonicContact OE1-CZ 3.73Å; E580-R587 IonicContact OE1-NE 2.64Å; E580-R587 PolarHBondContact OE1-NE 2.95Å; E580-R587 IonicContact OE1-NH2 2.72Å; E580-R587 PolarHBondContact OE1-NH2 3.39Å; E580-R587 IonicContact OE2-CZ 2.69Å; E580-R587 IonicContact OE2-NE 2.73Å; E580-R587 IonicContact OE2-NH2 3.89Å; E580-R587 PolarHBondContact OE2-NH2 3.14Å; N583-R587 PolarHBondContact O-N 3.05Å; T584-R587 PolarHBondContact O-N 3.48Å; R587-C589 PolarHBondContact O-N 3.45Å; R587-E590 WeakPolarHBondContact CD-OE1 3.35Å; R587-E590 IonicContact NE-OE1 2.64Å; R587-E590 IonicContact NH1-OE2 3.76Å; R587-E590 PolarHBondContact NH1-OE2 2.68Å; R587-E590 WeakPolarHBondContact O-CB 3.12Å; R587-E590 PolarHBondContact O-N 3.2Å; R587-R628 VanDerWaalsContact NH1-CZ 3.33Å; R587-P633 HydrophobicContact CG-CB 3.87Å; R587-P633 HydrophobicContact CG-CG 4.17Å
588	M	96.4	Very high	96.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-66.9	-20.1	174	-69	174.1	77.1	0	0	113.7	T584 Q586 F653 S665 C667 Q678 V680	T584-M588 WeakPolarHBondContact O-CG 3.5Å; T584-M588 PolarHBondContact O-N 2.7Å; Q586-M588 VanDerWaalsContact C-N 3.26Å; Q586-M588 PolarHBondContact O-N 2.72Å; M588-F653 HydrophobicContact CB-CZ 4.23Å; M588-S665 WeakPolarHBondContact SD-CB 3.36Å; M588-C667 HydrophobicContact CE-CB 3.91Å; M588-Q678 HydrophobicContact CE-CG 3.71Å; M588-V680 HydrophobicContact CE-CG2 4.1Å
589	C	98.6	Very high	97.3	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-83.4	-27.9	172.5	-169.2	0	0	0	0	112.5	Q586 R587 E591 L592 Y642 C644 F653 F817 L821	Q586-C589 WeakPolarHBondContact O-CA 3.25Å; Q586-C589 VanDerWaalsContact O-CB 3.27Å; Q586-C589 WeakPolarHBondContact O-CB 3.5Å; Q586-C589 PolarHBondContact O-N 2.88Å; R587-C589 PolarHBondContact O-N 3.45Å; C589-E591 PolarHBondContact O-N 2.85Å; C589-L592 WeakPolarHBondContact O-CB 2.96Å; C589-L592 PolarHBondContact O-N 1.95Å; C589-Y642 HydrophobicContact CB-CD1 4.39Å; C589-Y642 HydrophobicContact CB-CE1 3.86Å; C589-C644 VanDerWaalsContact SG-CB 3.52Å; C589-F653 HydrophobicContact CB-CD1 4.06Å; C589-F653 HydrophobicContact CB-CD2 4.37Å; C589-F653 HydrophobicContact CB-CE1 3.76Å; C589-F653 HydrophobicContact CB-CE2 4.04Å; C589-F653 HydrophobicContact CB-CG 4.37Å; C589-F653 HydrophobicContact CB-CZ 3.73Å; C589-F817 VanDerWaalsContact O-CE1 3.3Å; C589-F817 WeakPolarHBondContact O-CE1 3.37Å; C589-L821 HydrophobicContact CB-CD2 4.3Å
590	E	97.5	Very high	97.6	Very high	9 Å²	9	15.7 Å²	15.7	4%	0.042	7%	0.072	C	C	.	.	H	α-helix	trans	-59.3	-26.2	175	-67.5	-179.8	-161.3	0	0	112.7	Q586 R587 L592 E593 S624 R628 A818 L821	Q586-E590 PolarHBondContact O-N 2.87Å; Q586-E590 VanDerWaalsContact O-N 3.11Å; R587-E590 WeakPolarHBondContact CD-OE1 3.35Å; R587-E590 IonicContact NE-OE1 2.64Å; R587-E590 IonicContact NH1-OE2 3.76Å; R587-E590 PolarHBondContact NH1-OE2 2.68Å; R587-E590 WeakPolarHBondContact O-CB 3.12Å; R587-E590 PolarHBondContact O-N 3.2Å; E590-L592 PolarHBondContact O-N 3.49Å; E590-E593 VanDerWaalsContact O-CB 3.27Å; E590-E593 WeakPolarHBondContact O-CB 3.32Å; E590-E593 PolarHBondContact O-N 3.04Å; E590-S624 PolarHBondContact OE2-OG 3.21Å; E590-R628 IonicContact OE1-CZ 3.84Å; E590-R628 IonicContact OE1-NH1 2.66Å; E590-R628 PolarHBondContact OE1-NH1 3.1Å; E590-R628 IonicContact OE1-NH2 3.92Å; E590-R628 PolarHBondContact OE1-NH2 3.27Å; E590-R628 IonicContact OE2-CZ 2.74Å; E590-R628 IonicContact OE2-NH1 3.13Å; E590-R628 PolarHBondContact OE2-NH1 3.32Å; E590-A818 HydrophobicContact CG-CB 4.49Å; E590-L821 HydrophobicContact CG-CD1 3.58Å
591	E	97.6	Very high	97.8	Very high	28 Å²	28	15.7 Å²	15.7	13%	0.131	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-12.5	174.6	-64.8	171.9	-151.3	0	0	113	C589 F617 Q678 K714	C589-E591 PolarHBondContact O-N 2.85Å; E591-F617 WeakPolarHBondContact O-CE2 3.46Å; E591-F617 WeakPolarHBondContact O-CZ 3.44Å; E591-Q678 PolarHBondContact OE2-NE2 2.89Å; E591-K714 IonicContact OE1-NZ 3.65Å; E591-K714 PolarHBondContact OE1-NZ 2.71Å; E591-K714 WeakPolarHBondContact OE2-CE 3.43Å; E591-K714 IonicContact OE2-NZ 2.65Å; E591-K714 PolarHBondContact OE2-NZ 2.92Å
592	L	98.6	Very high	97.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	9.3	173	-64.6	163.7	0	0	0	113.7	C589 E590 Y594 S595 F617 F651 F653 C669 F674 F676	C589-L592 WeakPolarHBondContact O-CB 2.96Å; C589-L592 PolarHBondContact O-N 1.95Å; E590-L592 PolarHBondContact O-N 3.49Å; L592-Y594 PolarHBondContact O-N 2.84Å; L592-Y594 VanDerWaalsContact O-N 3.15Å; L592-S595 WeakPolarHBondContact O-CB 3.36Å; L592-S595 PolarHBondContact O-N 3.22Å; L592-S595 VanDerWaalsContact O-N 3.15Å; L592-F617 HydrophobicContact CD2-CE2 4.28Å; L592-F617 HydrophobicContact CD2-CZ 4Å; L592-F651 HydrophobicContact CB-CE1 3.89Å; L592-F651 HydrophobicContact CB-CE2 4.32Å; L592-F651 HydrophobicContact CB-CZ 3.63Å; L592-F651 HydrophobicContact CD1-CD2 4.31Å; L592-F651 HydrophobicContact CD1-CE2 3.88Å; L592-F651 HydrophobicContact CD1-CZ 4.04Å; L592-F651 HydrophobicContact CG-CZ 4.44Å; L592-F653 HydrophobicContact CD1-CB 4.28Å; L592-F653 HydrophobicContact CD1-CD2 3.53Å; L592-F653 HydrophobicContact CD1-CE2 4.28Å; L592-F653 HydrophobicContact CD1-CG 4.3Å; L592-C669 HydrophobicContact CD1-CB 3.92Å; L592-C669 WeakPolarHBondContact CD1-SG 3.46Å; L592-F674 HydrophobicContact CD2-CE2 4.37Å; L592-F676 HydrophobicContact CD1-CD1 4.39Å; L592-F676 HydrophobicContact CD2-CD1 4.14Å; L592-F676 HydrophobicContact CD2-CG 4.29Å; L592-F676 HydrophobicContact CG-CD1 4.46Å; L592-F676 HydrophobicContact CG-CE1 4.48Å
593	E	98.3	Very high	97.8	Very high	22 Å²	22	22.1 Å²	22.1	10%	0.103	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-30.1	175.3	178.4	159.9	-159.9	0	0	112.1	E590 K649 T815 F817	E590-E593 VanDerWaalsContact O-CB 3.27Å; E590-E593 WeakPolarHBondContact O-CB 3.32Å; E590-E593 PolarHBondContact O-N 3.04Å; E593-K649 VanDerWaalsContact O-CE 3.28Å; E593-K649 WeakPolarHBondContact O-CE 3.18Å; E593-K649 PolarHBondContact O-NZ 3.36Å; E593-T815 VanDerWaalsContact CD-OG1 3.29Å; E593-T815 VanDerWaalsContact OE1-CB 3.25Å; E593-T815 WeakPolarHBondContact OE1-CB 3.28Å; E593-T815 PolarHBondContact OE1-OG1 2.99Å; E593-T815 VanDerWaalsContact OE2-CB 3.31Å; E593-T815 WeakPolarHBondContact OE2-CB 3.46Å; E593-T815 WeakPolarHBondContact OE2-CG2 3.41Å; E593-T815 PolarHBondContact OE2-OG1 3.48Å; E593-F817 HydrophobicContact CB-CB 3.98Å; E593-F817 HydrophobicContact CB-CD1 3.92Å; E593-F817 HydrophobicContact CB-CD2 4.37Å; E593-F817 HydrophobicContact CB-CE1 4.49Å; E593-F817 HydrophobicContact CB-CG 3.85Å; E593-F817 HydrophobicContact CG-CB 3.54Å; E593-F817 HydrophobicContact CG-CD1 4.44Å; E593-F817 HydrophobicContact CG-CD2 4.44Å; E593-F817 HydrophobicContact CG-CG 3.93Å; E593-F817 VanDerWaalsContact OE1-CB 3.27Å; E593-F817 WeakPolarHBondContact OE1-CB 3.34Å
594	Y	98.5	Very high	97.9	Very high	19 Å²	19	23.4 Å²	23.4	8%	0.075	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	35	178.5	-55.6	-81.9	0	0	0	113	L592 E596 L597 W799 P801 G802	L592-Y594 PolarHBondContact O-N 2.84Å; L592-Y594 VanDerWaalsContact O-N 3.15Å; Y594-E596 WeakPolarHBondContact CA-OE1 3.41Å; Y594-E596 PolarHBondContact O-N 2.94Å; Y594-E596 VanDerWaalsContact O-N 3.08Å; Y594-L597 WeakPolarHBondContact O-CB 3.3Å; Y594-L597 PolarHBondContact O-N 2.95Å; Y594-L597 VanDerWaalsContact O-N 3.11Å; Y594-W799 AromaticContact CD1-CD1 3.77Å; Y594-W799 AromaticContact CD1-NE1 3.24Å; Y594-W799 AromaticContact CD2-NE1 3.65Å; Y594-W799 AromaticContact CE1-NE1 3.5Å; Y594-W799 HydrophobicContact CE2-CZ2 4.26Å; Y594-W799 AromaticContact CE2-NE1 3.91Å; Y594-W799 AromaticContact CG-CD1 3.93Å; Y594-W799 AromaticContact CG-NE1 3.32Å; Y594-W799 VanDerWaalsContact CG-NE1 3.32Å; Y594-W799 AromaticContact CZ-NE1 3.85Å; Y594-P801 VanDerWaalsContact OH-CA 3.29Å; Y594-P801 WeakPolarHBondContact OH-CA 3.31Å; Y594-G802 PolarHBondContact OH-N 3.26Å
595	S	98.6	Very high	98	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.007	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-26.8	-178.8	65.1	0	0	0	0	114.5	L592 L597 L598 D599	L592-S595 WeakPolarHBondContact O-CB 3.36Å; L592-S595 PolarHBondContact O-N 3.22Å; L592-S595 VanDerWaalsContact O-N 3.15Å; S595-L597 PolarHBondContact O-N 2.65Å; S595-L597 VanDerWaalsContact O-N 3.07Å; S595-L598 WeakPolarHBondContact O-CA 3.16Å; S595-L598 VanDerWaalsContact O-CB 3.25Å; S595-L598 WeakPolarHBondContact O-CB 3.43Å; S595-L598 PolarHBondContact O-N 2.75Å; S595-D599 PolarHBondContact O-N 2.98Å
596	E	98.3	Very high	98	Very high	62 Å²	62	32.4 Å²	32.4	29%	0.29	15%	0.154	S	C	.	.	H	α-helix	trans	-63.2	-12.5	178.3	68.4	-73.4	166.1	0	0	114.2	Y594 L598 K600 K649	Y594-E596 WeakPolarHBondContact CA-OE1 3.41Å; Y594-E596 PolarHBondContact O-N 2.94Å; Y594-E596 VanDerWaalsContact O-N 3.08Å; E596-L598 VanDerWaalsContact C-N 3.32Å; E596-K600 WeakPolarHBondContact O-CD 3.38Å; E596-K600 VanDerWaalsContact O-CG 3.26Å; E596-K600 WeakPolarHBondContact O-CG 2.87Å; E596-K600 PolarHBondContact O-N 2.97Å; E596-K600 VanDerWaalsContact O-N 3.16Å; E596-K649 IonicContact OE2-NZ 2.85Å; E596-K649 PolarHBondContact OE2-NZ 3.06Å
597	L	98.8	Very high	97.9	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.016	17%	0.166	C	C	.	.	H	α-helix	trans	-68.5	-32.3	166.8	-66.6	172.1	0	0	0	112	Y594 S595 A601 L613 A616 F617 W799	Y594-L597 WeakPolarHBondContact O-CB 3.3Å; Y594-L597 PolarHBondContact O-N 2.95Å; Y594-L597 VanDerWaalsContact O-N 3.11Å; S595-L597 PolarHBondContact O-N 2.65Å; S595-L597 VanDerWaalsContact O-N 3.07Å; L597-A601 WeakPolarHBondContact O-CB 2.95Å; L597-A601 PolarHBondContact O-N 3.1Å; L597-L613 HydrophobicContact CD2-CD2 4.28Å; L597-A616 HydrophobicContact CD1-CB 4.14Å; L597-F617 HydrophobicContact CB-CB 4.1Å; L597-F617 HydrophobicContact CD1-CB 4.17Å; L597-W799 HydrophobicContact CD1-CB 4.11Å; L597-W799 HydrophobicContact CD1-CG 4.08Å; L597-W799 HydrophobicContact CD2-CB 4.37Å
598	L	98.8	Very high	97.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-76.8	-36.8	177.2	-55.7	-178.7	0	0	0	111.7	S595 E596 A601 A602 F617 F674 L701	S595-L598 WeakPolarHBondContact O-CA 3.16Å; S595-L598 VanDerWaalsContact O-CB 3.25Å; S595-L598 WeakPolarHBondContact O-CB 3.43Å; S595-L598 PolarHBondContact O-N 2.75Å; E596-L598 VanDerWaalsContact C-N 3.32Å; L598-A601 CarbonylContact O-C 3.48Å; L598-A601 WeakPolarHBondContact O-CB 3.43Å; L598-A601 PolarHBondContact O-N 2.71Å; L598-A602 PolarHBondContact O-N 2.89Å; L598-F617 HydrophobicContact CD1-CD1 4.3Å; L598-F617 HydrophobicContact CD1-CD2 4.09Å; L598-F617 HydrophobicContact CD1-CE1 4.02Å; L598-F617 HydrophobicContact CD1-CE2 3.79Å; L598-F617 HydrophobicContact CD1-CG 4.34Å; L598-F617 HydrophobicContact CD1-CZ 3.76Å; L598-F617 HydrophobicContact CD2-CB 3.89Å; L598-F617 HydrophobicContact CD2-CD1 3.7Å; L598-F617 HydrophobicContact CD2-CD2 3.99Å; L598-F617 HydrophobicContact CD2-CE1 4.23Å; L598-F617 HydrophobicContact CD2-CE2 4.49Å; L598-F617 HydrophobicContact CD2-CG 3.56Å; L598-F617 HydrophobicContact CG-CD1 4.26Å; L598-F617 HydrophobicContact CG-CD2 3.8Å; L598-F617 HydrophobicContact CG-CE1 4.46Å; L598-F617 HydrophobicContact CG-CE2 4.03Å; L598-F617 HydrophobicContact CG-CG 3.93Å; L598-F617 HydrophobicContact CG-CZ 4.37Å; L598-F674 HydrophobicContact CB-CD1 3.57Å; L598-F674 HydrophobicContact CB-CE1 3.78Å; L598-F674 HydrophobicContact CB-CG 3.99Å; L598-F674 HydrophobicContact CB-CZ 4.37Å; L598-F674 HydrophobicContact CD1-CD1 4.25Å; L598-F674 HydrophobicContact CD1-CD2 3.79Å; L598-F674 HydrophobicContact CD1-CE1 4.18Å; L598-F674 HydrophobicContact CD1-CE2 3.73Å; L598-F674 HydrophobicContact CD1-CG 4.07Å; L598-F674 HydrophobicContact CD1-CZ 3.93Å; L598-L701 HydrophobicContact CD1-CD1 3.83Å; L598-L701 HydrophobicContact CD2-CD1 4.05Å; L598-L701 HydrophobicContact CD2-CD2 3.61Å; L598-L701 HydrophobicContact CD2-CG 4.5Å; L598-L701 HydrophobicContact CG-CD1 4.44Å
599	D	98.4	Very high	98	Very high	27 Å²	27	38.4 Å²	38.4	14%	0.144	19%	0.186	C	C	.	.	H	α-helix	trans	-63.5	-45.8	172.6	-62.3	-63.1	0	0	0	110.8	S595 A601 A602 E603 N673	S595-D599 PolarHBondContact O-N 2.98Å; D599-A601 VanDerWaalsContact C-N 3.3Å; D599-A601 PolarHBondContact O-N 3.31Å; D599-A602 WeakPolarHBondContact O-CA 3.28Å; D599-A602 WeakPolarHBondContact O-CB 3.4Å; D599-A602 PolarHBondContact O-N 2.72Å; D599-E603 PolarHBondContact O-N 3.33Å; D599-E603 VanDerWaalsContact O-N 3.1Å; D599-N673 WeakPolarHBondContact OD1-CB 3.28Å; D599-N673 PolarHBondContact OD1-ND2 2.72Å
600	K	98.4	Very high	98	Very high	100 Å²	100	39 Å²	39	44%	0.435	19%	0.188	S	C	.	.	H	α-helix	trans	-58.8	-40.4	170.9	-70.9	163.8	-172.1	164.3	0	112.1	E596 A602 E603 T604 L613	E596-K600 WeakPolarHBondContact O-CD 3.38Å; E596-K600 VanDerWaalsContact O-CG 3.26Å; E596-K600 WeakPolarHBondContact O-CG 2.87Å; E596-K600 PolarHBondContact O-N 2.97Å; E596-K600 VanDerWaalsContact O-N 3.16Å; K600-A602 VanDerWaalsContact C-N 3.27Å; K600-A602 PolarHBondContact O-N 2.8Å; K600-E603 PolarHBondContact O-N 2.77Å; K600-T604 PolarHBondContact O-N 2.64Å; K600-T604 PolarHBondContact O-OG1 2.86Å; K600-L613 HydrophobicContact CB-CD1 4.02Å; K600-L613 HydrophobicContact CB-CD2 4.37Å
601	A	98.4	Very high	98	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.9	-30.2	174.9	0	0	0	0	0	112.4	L597 L598 D599 E603 R610 L613 V614 I703	L597-A601 WeakPolarHBondContact O-CB 2.95Å; L597-A601 PolarHBondContact O-N 3.1Å; L598-A601 CarbonylContact O-C 3.48Å; L598-A601 WeakPolarHBondContact O-CB 3.43Å; L598-A601 PolarHBondContact O-N 2.71Å; D599-A601 VanDerWaalsContact C-N 3.3Å; D599-A601 PolarHBondContact O-N 3.31Å; A601-E603 VanDerWaalsContact C-N 3.29Å; A601-R610 WeakPolarHBondContact O-CD 3.44Å; A601-R610 VanDerWaalsContact O-CG 3.24Å; A601-R610 WeakPolarHBondContact O-CG 3.37Å; A601-L613 HydrophobicContact CB-CB 3.94Å; A601-L613 HydrophobicContact CB-CD1 4.31Å; A601-V614 HydrophobicContact CB-CG2 4.29Å; A601-I703 HydrophobicContact CB-CD1 3.72Å
602	A	98.3	Very high	98.1	Very high	5 Å²	5	37.8 Å²	37.8	4%	0.041	18%	0.183	C	C	.	.	H	α-helix	trans	-74.3	-18.1	171.4	0	0	0	0	0	113.4	L598 D599 K600 N673 I703 R705 F706	L598-A602 PolarHBondContact O-N 2.89Å; D599-A602 WeakPolarHBondContact O-CA 3.28Å; D599-A602 WeakPolarHBondContact O-CB 3.4Å; D599-A602 PolarHBondContact O-N 2.72Å; K600-A602 VanDerWaalsContact C-N 3.27Å; K600-A602 PolarHBondContact O-N 2.8Å; A602-N673 HydrophobicContact CB-CB 3.75Å; A602-I703 HydrophobicContact CB-CG2 3.79Å; A602-R705 WeakPolarHBondContact O-CD 3.25Å; A602-R705 PolarHBondContact O-NH1 2.8Å; A602-F706 WeakPolarHBondContact O-CE2 3.49Å
603	E	97.9	Very high	98.1	Very high	130 Å²	130	38.9 Å²	38.9	61%	0.607	19%	0.189	S	C	*	.	H	α-helix	trans	-87.3	-36.7	175.7	-70.5	176.3	171.5	0	0	112.7	D599 K600 A601 R705	D599-E603 PolarHBondContact O-N 3.33Å; D599-E603 VanDerWaalsContact O-N 3.1Å; K600-E603 PolarHBondContact O-N 2.77Å; A601-E603 VanDerWaalsContact C-N 3.29Å; E603-R705 VanDerWaalsContact C-NH1 3.32Å; E603-R705 VanDerWaalsContact CA-NH1 3.32Å; E603-R705 PolarHBondContact O-NH1 2.94Å
604	T	98.1	Very high	98.1	Very high	28 Å²	28	37.9 Å²	37.9	17%	0.172	18%	0.184	C	C	.	.			trans	-70.8	124.3	-177.4	-66.4	0	0	0	0	114.5	K600 E609 R610 F706	K600-T604 PolarHBondContact O-N 2.64Å; K600-T604 PolarHBondContact O-OG1 2.86Å; T604-E609 HydrophobicContact CG2-CB 3.52Å; T604-R610 HydrophobicContact CG2-CG 3.95Å; T604-R610 VanDerWaalsContact O-CD 3.3Å; T604-R610 WeakPolarHBondContact O-CD 3.44Å; T604-R610 WeakPolarHBondContact O-CG 3.43Å; T604-R610 PolarHBondContact O-NH1 2.85Å; T604-F706 VanDerWaalsContact O-CE2 3.26Å; T604-F706 WeakPolarHBondContact O-CE2 3.19Å; T604-F706 WeakPolarHBondContact O-CZ 3.45Å
605	E	96.8	Very high	98.1	Very high	143 Å²	143	37 Å²	37	67%	0.668	18%	0.181	S	C	*	.			trans	-81.8	-29.6	-177.8	-56.9	-164.3	153.7	0	0	114.6	P607 R610 R705 F706	E605-P607 WeakPolarHBondContact O-CD 3.42Å; E605-R610 PolarHBondContact O-NH1 2.85Å; E605-R705 IonicContact OE1-NH2 3.07Å; E605-R705 PolarHBondContact OE1-NH2 3.04Å; E605-R705 VanDerWaalsContact OE1-NH2 3.07Å; E605-F706 HydrophobicContact CG-CZ 4.41Å
606	D	96.8	Very high	98.1	Very high	64 Å²	64	36.9 Å²	36.9	34%	0.342	18%	0.18	S	C	.	.			trans	-73.6	120.4	176.3	179.2	5.6	0	0	0	111.2	F608 E609 R610	D606-F608 PolarHBondContact O-N 2.76Å; D606-F608 WeakPolarHBondContact OD1-CB 3.37Å; D606-F608 VanDerWaalsContact OD1-CD2 3.3Å; D606-F608 WeakPolarHBondContact OD1-CD2 3.5Å; D606-F608 PolarHBondContact OD1-N 2.69Å; D606-E609 HydrophobicContact CB-CB 4.25Å; D606-E609 HydrophobicContact CB-CG 4.48Å; D606-E609 PolarHBondContact O-N 2.73Å; D606-R610 WeakPolarHBondContact O-CG 3.32Å; D606-R610 PolarHBondContact O-N 2.76Å
607	P	96.6	Very high	98.1	Very high	40 Å²	40	34.2 Å²	34.2	26%	0.26	17%	0.168	S	C	.	.	H	α-helix	trans	-60	-27.2	175.1	26.2	-36	0	0	0	113.9	E605 M611	E605-P607 WeakPolarHBondContact O-CD 3.42Å; P607-M611 WeakPolarHBondContact O-CB 3.42Å; P607-M611 PolarHBondContact O-N 2.92Å
608	F	97.4	Very high	98.1	Very high	43 Å²	43	34.3 Å²	34.3	19%	0.189	17%	0.169	C	C	.	.	H	α-helix	trans	-72.3	-48	177.7	-63.1	-73.3	0	0	0	111.4	D606 M611 V612 C745 V768 D770 I776	D606-F608 PolarHBondContact O-N 2.76Å; D606-F608 WeakPolarHBondContact OD1-CB 3.37Å; D606-F608 VanDerWaalsContact OD1-CD2 3.3Å; D606-F608 WeakPolarHBondContact OD1-CD2 3.5Å; D606-F608 PolarHBondContact OD1-N 2.69Å; F608-M611 PolarHBondContact O-N 3.24Å; F608-V612 WeakPolarHBondContact O-CG2 3.46Å; F608-V612 PolarHBondContact O-N 3.39Å; F608-C745 HydrophobicContact CD1-CB 3.66Å; F608-C745 HydrophobicContact CE1-CB 3.51Å; F608-C745 HydrophobicContact CZ-CB 4.43Å; F608-V768 HydrophobicContact CD1-CG1 3.94Å; F608-D770 HydrophobicContact CE1-CB 4.14Å; F608-D770 HydrophobicContact CZ-CB 4.08Å; F608-I776 HydrophobicContact CB-CG2 4.21Å; F608-I776 HydrophobicContact CD1-CB 4.06Å; F608-I776 HydrophobicContact CD1-CG1 3.93Å; F608-I776 HydrophobicContact CD1-CG2 4.04Å; F608-I776 HydrophobicContact CD2-CG2 4.46Å; F608-I776 HydrophobicContact CE1-CB 4.34Å; F608-I776 HydrophobicContact CE1-CG1 3.69Å; F608-I776 HydrophobicContact CG-CG2 3.99Å; F608-I776 HydrophobicContact CZ-CG1 4.17Å
609	E	97.6	Very high	98.1	Very high	83 Å²	83	34.3 Å²	34.3	39%	0.388	17%	0.169	S	C	.	.	H	α-helix	trans	-64.5	-36.5	172	-73.4	-155.9	139.4	0	0	112.5	T604 D606 M611 V612 L613	T604-E609 HydrophobicContact CG2-CB 3.52Å; D606-E609 HydrophobicContact CB-CB 4.25Å; D606-E609 HydrophobicContact CB-CG 4.48Å; D606-E609 PolarHBondContact O-N 2.73Å; E609-M611 VanDerWaalsContact C-N 3.33Å; E609-M611 PolarHBondContact O-N 2.95Å; E609-V612 WeakPolarHBondContact O-CB 3.1Å; E609-V612 PolarHBondContact O-N 3.02Å; E609-L613 PolarHBondContact O-N 3.17Å
610	R	98	Very high	98.1	Very high	13 Å²	13	33.1 Å²	33.1	5%	0.049	16%	0.163	C	C	.	.	H	α-helix	trans	-57.6	-46.5	170.6	-76.7	-155.2	-64.2	-72.2	5.2	111.7	A601 T604 E605 D606 V612 L613 V614 D708	A601-R610 WeakPolarHBondContact O-CD 3.44Å; A601-R610 VanDerWaalsContact O-CG 3.24Å; A601-R610 WeakPolarHBondContact O-CG 3.37Å; T604-R610 HydrophobicContact CG2-CG 3.95Å; T604-R610 VanDerWaalsContact O-CD 3.3Å; T604-R610 WeakPolarHBondContact O-CD 3.44Å; T604-R610 WeakPolarHBondContact O-CG 3.43Å; T604-R610 PolarHBondContact O-NH1 2.85Å; E605-R610 PolarHBondContact O-NH1 2.85Å; D606-R610 WeakPolarHBondContact O-CG 3.32Å; D606-R610 PolarHBondContact O-N 2.76Å; R610-V612 VanDerWaalsContact C-N 3.27Å; R610-V612 PolarHBondContact O-N 2.87Å; R610-L613 PolarHBondContact O-N 3.26Å; R610-L613 VanDerWaalsContact O-N 3.12Å; R610-V614 WeakPolarHBondContact O-CG2 3.47Å; R610-V614 PolarHBondContact O-N 2.88Å; R610-D708 IonicContact CZ-OD2 3.22Å; R610-D708 VanDerWaalsContact CZ-OD2 3.22Å; R610-D708 IonicContact NE-OD2 3.36Å; R610-D708 PolarHBondContact NE-OD2 2.82Å; R610-D708 IonicContact NH2-OD1 3.99Å; R610-D708 IonicContact NH2-OD2 2.77Å; R610-D708 PolarHBondContact NH2-OD2 3.4Å
611	M	98.4	Very high	98	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-62.9	-34.4	178.7	-175.1	67.5	85.7	0	0	111.8	P607 F608 E609 A615 Y710 I737 C747 V768	P607-M611 WeakPolarHBondContact O-CB 3.42Å; P607-M611 PolarHBondContact O-N 2.92Å; F608-M611 PolarHBondContact O-N 3.24Å; E609-M611 VanDerWaalsContact C-N 3.33Å; E609-M611 PolarHBondContact O-N 2.95Å; M611-A615 WeakPolarHBondContact O-CB 3.39Å; M611-A615 PolarHBondContact O-N 3.44Å; M611-Y710 HydrophobicContact CE-CD1 3.94Å; M611-Y710 HydrophobicContact CE-CE1 3.74Å; M611-Y710 HydrophobicContact SD-CD1 4.04Å; M611-Y710 HydrophobicContact SD-CE1 3.92Å; M611-I737 HydrophobicContact SD-CB 4Å; M611-I737 HydrophobicContact SD-CG2 3.76Å; M611-C747 HydrophobicContact CG-CB 3.54Å; M611-C747 HydrophobicContact SD-CB 3.69Å; M611-V768 HydrophobicContact CB-CG1 4.02Å; M611-V768 HydrophobicContact CB-CG2 4.36Å; M611-V768 HydrophobicContact CG-CG1 3.8Å; M611-V768 HydrophobicContact CG-CG2 3.95Å
612	V	98.6	Very high	98	Very high	10 Å²	10	30.3 Å²	30.3	6%	0.061	16%	0.156	C	C	.	.	H	α-helix	trans	-63	-41.3	171.8	168.3	0	0	0	0	112	F608 E609 R610 A615 A616 V768 H777 L779 C789 V798	F608-V612 WeakPolarHBondContact O-CG2 3.46Å; F608-V612 PolarHBondContact O-N 3.39Å; E609-V612 WeakPolarHBondContact O-CB 3.1Å; E609-V612 PolarHBondContact O-N 3.02Å; R610-V612 VanDerWaalsContact C-N 3.27Å; R610-V612 PolarHBondContact O-N 2.87Å; V612-A615 PolarHBondContact O-N 3.35Å; V612-A616 PolarHBondContact O-N 2.86Å; V612-V768 HydrophobicContact CG2-CG2 3.8Å; V612-H777 HydrophobicContact CG2-CB 3.96Å; V612-H777 VanDerWaalsContact CG2-CD2 3.46Å; V612-H777 WeakPolarHBondContact CG2-CD2 3.37Å; V612-L779 HydrophobicContact CG1-CD2 3.97Å; V612-L779 HydrophobicContact CG2-CD2 4.2Å; V612-C789 HydrophobicContact CG1-CB 4.02Å; V612-V798 HydrophobicContact CG1-CB 4.47Å; V612-V798 HydrophobicContact CG1-CG1 3.87Å; V612-V798 HydrophobicContact CG1-CG2 3.75Å
613	L	98.8	Very high	97.8	Very high	24 Å²	24	30.6 Å²	30.6	13%	0.126	16%	0.158	C	C	.	.	H	α-helix	trans	-70	-41.2	177.4	-70.6	165.7	0	0	0	112.6	L597 K600 A601 E609 R610 A615 A616 F617 V798	L597-L613 HydrophobicContact CD2-CD2 4.28Å; K600-L613 HydrophobicContact CB-CD1 4.02Å; K600-L613 HydrophobicContact CB-CD2 4.37Å; A601-L613 HydrophobicContact CB-CB 3.94Å; A601-L613 HydrophobicContact CB-CD1 4.31Å; E609-L613 PolarHBondContact O-N 3.17Å; R610-L613 PolarHBondContact O-N 3.26Å; R610-L613 VanDerWaalsContact O-N 3.12Å; L613-A615 VanDerWaalsContact C-N 3.32Å; L613-A615 PolarHBondContact O-N 2.96Å; L613-A616 PolarHBondContact O-N 3.44Å; L613-F617 PolarHBondContact O-N 3.44Å; L613-V798 HydrophobicContact CD2-CG1 4.03Å
614	V	98.8	Very high	97.7	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.8	-36.7	173.3	177.4	0	0	0	0	111.1	A601 R610 F617 A618 L701 I703 Y710 W712 I737	A601-V614 HydrophobicContact CB-CG2 4.29Å; R610-V614 WeakPolarHBondContact O-CG2 3.47Å; R610-V614 PolarHBondContact O-N 2.88Å; V614-F617 PolarHBondContact O-N 3.39Å; V614-A618 WeakPolarHBondContact O-CB 3.48Å; V614-A618 PolarHBondContact O-N 3.01Å; V614-L701 HydrophobicContact CG1-CD2 3.95Å; V614-L701 HydrophobicContact CG2-CD2 3.74Å; V614-I703 HydrophobicContact CG2-CD1 4.46Å; V614-Y710 HydrophobicContact CG1-CD1 4.42Å; V614-Y710 HydrophobicContact CG1-CG 4.25Å; V614-Y710 HydrophobicContact CG2-CD2 4.22Å; V614-Y710 HydrophobicContact CG2-CE2 4.12Å; V614-Y710 HydrophobicContact CG2-CG 4.49Å; V614-W712 HydrophobicContact CG1-CH2 4.46Å; V614-W712 HydrophobicContact CG1-CZ3 4.09Å; V614-I737 HydrophobicContact CG1-CG2 3.99Å
615	A	98.8	Very high	97.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65	-42.1	173	0	0	0	0	0	112.6	M611 V612 L613 A618 V619 I737 L749 L779	M611-A615 WeakPolarHBondContact O-CB 3.39Å; M611-A615 PolarHBondContact O-N 3.44Å; V612-A615 PolarHBondContact O-N 3.35Å; L613-A615 VanDerWaalsContact C-N 3.32Å; L613-A615 PolarHBondContact O-N 2.96Å; A615-A618 PolarHBondContact O-N 3.09Å; A615-V619 WeakPolarHBondContact O-CG2 3.5Å; A615-V619 PolarHBondContact O-N 3.48Å; A615-I737 HydrophobicContact CB-CD1 3.93Å; A615-L749 HydrophobicContact CB-CD1 4.12Å; A615-L749 HydrophobicContact CB-CD2 4.42Å; A615-L779 HydrophobicContact CB-CD1 3.66Å
616	A	98.8	Very high	97.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.8	-42.7	173.6	0	0	0	0	0	112.1	L597 V612 L613 V619 S620 L787 V798 W799	L597-A616 HydrophobicContact CD1-CB 4.14Å; V612-A616 PolarHBondContact O-N 2.86Å; L613-A616 PolarHBondContact O-N 3.44Å; A616-V619 PolarHBondContact O-N 2.85Å; A616-S620 WeakPolarHBondContact O-CB 3.39Å; A616-S620 PolarHBondContact O-N 2.98Å; A616-L787 HydrophobicContact CB-CD2 4.11Å; A616-V798 HydrophobicContact CB-CB 4.18Å; A616-V798 HydrophobicContact CB-CG1 3.55Å; A616-W799 HydrophobicContact CB-CB 3.95Å
617	F	98.8	Very high	97	Very high	5 Å²	5	23.8 Å²	23.8	2%	0.022	12%	0.118	C	C	.	.	H	α-helix	trans	-59.4	-48.3	173.9	175.6	-99.5	0	0	0	111.5	E591 L592 L597 L598 L613 V614 V619 S620 G621 F676 W712	E591-F617 WeakPolarHBondContact O-CE2 3.46Å; E591-F617 WeakPolarHBondContact O-CZ 3.44Å; L592-F617 HydrophobicContact CD2-CE2 4.28Å; L592-F617 HydrophobicContact CD2-CZ 4Å; L597-F617 HydrophobicContact CB-CB 4.1Å; L597-F617 HydrophobicContact CD1-CB 4.17Å; L598-F617 HydrophobicContact CD1-CD1 4.3Å; L598-F617 HydrophobicContact CD1-CD2 4.09Å; L598-F617 HydrophobicContact CD1-CE1 4.02Å; L598-F617 HydrophobicContact CD1-CE2 3.79Å; L598-F617 HydrophobicContact CD1-CG 4.34Å; L598-F617 HydrophobicContact CD1-CZ 3.76Å; L598-F617 HydrophobicContact CD2-CB 3.89Å; L598-F617 HydrophobicContact CD2-CD1 3.7Å; L598-F617 HydrophobicContact CD2-CD2 3.99Å; L598-F617 HydrophobicContact CD2-CE1 4.23Å; L598-F617 HydrophobicContact CD2-CE2 4.49Å; L598-F617 HydrophobicContact CD2-CG 3.56Å; L598-F617 HydrophobicContact CG-CD1 4.26Å; L598-F617 HydrophobicContact CG-CD2 3.8Å; L598-F617 HydrophobicContact CG-CE1 4.46Å; L598-F617 HydrophobicContact CG-CE2 4.03Å; L598-F617 HydrophobicContact CG-CG 3.93Å; L598-F617 HydrophobicContact CG-CZ 4.37Å; L613-F617 PolarHBondContact O-N 3.44Å; V614-F617 PolarHBondContact O-N 3.39Å; F617-V619 VanDerWaalsContact C-N 3.27Å; F617-V619 PolarHBondContact O-N 3.33Å; F617-S620 PolarHBondContact O-N 2.98Å; F617-S620 VanDerWaalsContact O-N 3.07Å; F617-S620 PolarHBondContact O-OG 2.82Å; F617-G621 PolarHBondContact O-N 3.17Å; F617-F676 HydrophobicContact CE1-CD2 4.01Å; F617-F676 AromaticContact CE1-CE2 3.76Å; F617-F676 HydrophobicContact CE1-CE2 3.76Å; F617-F676 HydrophobicContact CZ-CD2 4.24Å; F617-F676 HydrophobicContact CZ-CE2 4.04Å; F617-W712 AromaticContact CD1-CH2 3.99Å; F617-W712 HydrophobicContact CD1-CH2 3.99Å; F617-W712 AromaticContact CD1-CZ2 3.94Å; F617-W712 HydrophobicContact CD1-CZ2 3.94Å; F617-W712 AromaticContact CE1-CH2 4Å; F617-W712 HydrophobicContact CE1-CH2 4Å; F617-W712 AromaticContact CE1-CZ2 3.93Å; F617-W712 HydrophobicContact CE1-CZ2 3.93Å
618	A	98.6	Very high	96.8	Very high	6 Å²	6	22 Å²	22	5%	0.05	11%	0.105	C	C	.	.	H	α-helix	trans	-61	-30.5	178.4	0	0	0	0	0	113.7	V614 A615 Y622 W712 I737	V614-A618 WeakPolarHBondContact O-CB 3.48Å; V614-A618 PolarHBondContact O-N 3.01Å; A615-A618 PolarHBondContact O-N 3.09Å; A618-Y622 WeakPolarHBondContact O-CD2 3.26Å; A618-Y622 VanDerWaalsContact O-CE2 3.28Å; A618-Y622 WeakPolarHBondContact O-CE2 3.45Å; A618-W712 HydrophobicContact CB-CZ2 4.17Å; A618-I737 HydrophobicContact CB-CD1 3.84Å
619	V	98.6	Very high	96.1	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-77	-39.4	171.9	175.2	0	0	0	0	111.8	A615 A616 F617 G621 Y622 L749 F751 V764 W783 L787 W799	A615-V619 WeakPolarHBondContact O-CG2 3.5Å; A615-V619 PolarHBondContact O-N 3.48Å; A616-V619 PolarHBondContact O-N 2.85Å; F617-V619 VanDerWaalsContact C-N 3.27Å; F617-V619 PolarHBondContact O-N 3.33Å; V619-G621 VanDerWaalsContact C-N 3.25Å; V619-G621 PolarHBondContact O-N 3.13Å; V619-Y622 PolarHBondContact O-N 2.87Å; V619-Y622 VanDerWaalsContact O-N 3.12Å; V619-L749 HydrophobicContact CG2-CD1 3.78Å; V619-L749 HydrophobicContact CG2-CD2 4.15Å; V619-F751 HydrophobicContact CB-CZ 4.49Å; V619-F751 HydrophobicContact CG1-CZ 4.4Å; V619-F751 HydrophobicContact CG2-CE2 4.32Å; V619-F751 HydrophobicContact CG2-CZ 4.1Å; V619-V764 HydrophobicContact CG1-CG2 4.34Å; V619-V764 HydrophobicContact CG2-CG1 4.09Å; V619-W783 HydrophobicContact CG1-CB 4.02Å; V619-L787 HydrophobicContact CB-CD2 4.44Å; V619-L787 HydrophobicContact CG2-CD1 4.44Å; V619-L787 HydrophobicContact CG2-CD2 4.1Å; V619-W799 HydrophobicContact CG1-CZ3 4.13Å
620	S	98.3	Very high	95.1	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.014	10%	0.101	C	C	.	.	H	α-helix	trans	-58.4	-33.8	-174.1	76.4	0	0	0	0	113.8	A616 F617 Y622 S623 W799	A616-S620 WeakPolarHBondContact O-CB 3.39Å; A616-S620 PolarHBondContact O-N 2.98Å; F617-S620 PolarHBondContact O-N 2.98Å; F617-S620 VanDerWaalsContact O-N 3.07Å; F617-S620 PolarHBondContact O-OG 2.82Å; S620-Y622 PolarHBondContact O-N 3.48Å; S620-Y622 VanDerWaalsContact O-N 3.1Å; S620-S623 VanDerWaalsContact O-CB 3.27Å; S620-S623 WeakPolarHBondContact O-CB 3.31Å; S620-S623 PolarHBondContact O-N 3.37Å; S620-S623 PolarHBondContact O-OG 3.44Å; S620-W799 VanDerWaalsContact CB-CE2 3.46Å
621	G	96.6	Very high	94.3	Very high	22 Å²	22	19.4 Å²	19.4	23%	0.227	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-10.5	178.6	0	0	0	0	0	115.5	F617 V619	F617-G621 PolarHBondContact O-N 3.17Å; V619-G621 VanDerWaalsContact C-N 3.25Å; V619-G621 PolarHBondContact O-N 3.13Å
622	Y	96.8	Very high	93.8	Very high	18 Å²	18	22.2 Å²	22.2	7%	0.071	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-16.1	172.9	-63.8	-91.2	0	0	0	112.7	A618 V619 S620 S624 T625 K714 V715 H731 I735 F751 W783	A618-Y622 WeakPolarHBondContact O-CD2 3.26Å; A618-Y622 VanDerWaalsContact O-CE2 3.28Å; A618-Y622 WeakPolarHBondContact O-CE2 3.45Å; V619-Y622 PolarHBondContact O-N 2.87Å; V619-Y622 VanDerWaalsContact O-N 3.12Å; S620-Y622 PolarHBondContact O-N 3.48Å; S620-Y622 VanDerWaalsContact O-N 3.1Å; Y622-S624 PolarHBondContact O-N 3.35Å; Y622-T625 WeakPolarHBondContact O-CB 3.13Å; Y622-T625 WeakPolarHBondContact O-CG2 3.44Å; Y622-T625 PolarHBondContact O-N 2.86Å; Y622-T625 PolarHBondContact O-OG1 2.94Å; Y622-K714 WeakPolarHBondContact OH-CA 3.45Å; Y622-K714 WeakPolarHBondContact OH-CB 3.4Å; Y622-V715 HydrophobicContact CD1-CG2 4.34Å; Y622-V715 HydrophobicContact CE1-CG2 3.54Å; Y622-V715 HydrophobicContact CE2-CG2 4.49Å; Y622-V715 PolarHBondContact OH-N 2.91Å; Y622-V715 VanDerWaalsContact OH-N 3.09Å; Y622-H731 HydrophobicContact CD1-CB 4.44Å; Y622-H731 AromaticContact CD1-CD2 3.81Å; Y622-H731 AromaticContact CD1-CG 3.78Å; Y622-H731 AromaticContact CD1-ND1 3.78Å; Y622-H731 PolarHBondContact O-NE2 3.28Å; Y622-H731 VanDerWaalsContact O-NE2 3.15Å; Y622-I735 HydrophobicContact CE2-CD1 3.96Å; Y622-F751 HydrophobicContact CD1-CE1 4.38Å; Y622-F751 AromaticContact CD2-CE1 3.78Å; Y622-F751 HydrophobicContact CD2-CE1 3.78Å; Y622-F751 AromaticContact CD2-CZ 3.59Å; Y622-F751 HydrophobicContact CD2-CZ 3.59Å; Y622-F751 HydrophobicContact CE2-CE1 4.21Å; Y622-F751 HydrophobicContact CE2-CE2 4.47Å; Y622-F751 AromaticContact CE2-CZ 3.74Å; Y622-F751 HydrophobicContact CE2-CZ 3.74Å; Y622-F751 AromaticContact CG-CE1 3.88Å; Y622-F751 HydrophobicContact CG-CE1 3.88Å; Y622-F751 HydrophobicContact CG-CZ 4.18Å; Y622-W783 WeakPolarHBondContact O-CZ3 3.39Å
623	S	95.8	Very high	93.5	Very high	11 Å²	11	23.4 Å²	23.4	8%	0.077	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-62	-44.1	-169.4	63.7	0	0	0	0	114.2	S620 T625 Y626 W783	S620-S623 VanDerWaalsContact O-CB 3.27Å; S620-S623 WeakPolarHBondContact O-CB 3.31Å; S620-S623 PolarHBondContact O-N 3.37Å; S620-S623 PolarHBondContact O-OG 3.44Å; S623-T625 PolarHBondContact O-N 3.02Å; S623-Y626 PolarHBondContact O-N 2.85Å; S623-W783 WeakPolarHBondContact CA-O 3.37Å; S623-W783 WeakPolarHBondContact CB-O 3.42Å
624	S	94.4	Very high	93.2	Very high	8 Å²	8	22.3 Å²	22.3	6%	0.056	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-60.7	-19.1	-178.6	81	0	0	0	0	113.3	E590 Y622 Y626 R628	E590-S624 PolarHBondContact OE2-OG 3.21Å; Y622-S624 PolarHBondContact O-N 3.35Å; S624-Y626 VanDerWaalsContact C-N 3.34Å; S624-Y626 PolarHBondContact O-N 2.95Å; S624-R628 WeakPolarHBondContact O-CD 3.42Å; S624-R628 WeakPolarHBondContact O-CG 3.34Å
625	T	94.6	Very high	92.9	Very high	18 Å²	18	23.8 Å²	23.8	11%	0.11	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-71.9	-24	-177.6	68.6	0	0	0	0	113.8	Y622 S623 Y627 R628 H731 W783	Y622-T625 WeakPolarHBondContact O-CB 3.13Å; Y622-T625 WeakPolarHBondContact O-CG2 3.44Å; Y622-T625 PolarHBondContact O-N 2.86Å; Y622-T625 PolarHBondContact O-OG1 2.94Å; S623-T625 PolarHBondContact O-N 3.02Å; T625-Y627 PolarHBondContact O-N 2.88Å; T625-R628 PolarHBondContact O-N 3.4Å; T625-H731 WeakPolarHBondContact CB-NE2 3.31Å; T625-H731 VanDerWaalsContact CG2-NE2 3.34Å; T625-H731 WeakPolarHBondContact CG2-NE2 3.12Å; T625-H731 PolarHBondContact OG1-NE2 2.98Å; T625-W783 VanDerWaalsContact OG1-CZ3 3.3Å; T625-W783 WeakPolarHBondContact OG1-CZ3 3.47Å
626	Y	93	Very high	92.7	Very high	91 Å²	91	23.8 Å²	23.8	36%	0.357	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-57.2	-49.9	-169.1	-178.8	-100.5	0	0	0	113	S623 S624 R628 N762 W783 H784	S623-Y626 PolarHBondContact O-N 2.85Å; S624-Y626 VanDerWaalsContact C-N 3.34Å; S624-Y626 PolarHBondContact O-N 2.95Å; Y626-R628 VanDerWaalsContact C-N 3.26Å; Y626-R628 PolarHBondContact O-N 3.32Å; Y626-N762 WeakPolarHBondContact CE2-ND2 3.28Å; Y626-W783 AromaticContact CD2-CH2 3.93Å; Y626-W783 HydrophobicContact CD2-CH2 3.93Å; Y626-W783 HydrophobicContact CD2-CZ3 4.35Å; Y626-W783 HydrophobicContact CG-CH2 4.46Å; Y626-H784 HydrophobicContact CD2-CB 3.8Å; Y626-H784 AromaticContact CD2-CD2 3.45Å; Y626-H784 VanDerWaalsContact CD2-CD2 3.45Å; Y626-H784 WeakPolarHBondContact CD2-CD2 3.24Å; Y626-H784 AromaticContact CD2-CG 3.64Å; Y626-H784 AromaticContact CE1-CD2 3.98Å; Y626-H784 HydrophobicContact CE2-CB 4.48Å; Y626-H784 AromaticContact CE2-CD2 3.23Å; Y626-H784 WeakPolarHBondContact CE2-CD2 3.22Å; Y626-H784 AromaticContact CE2-CG 3.85Å; Y626-H784 AromaticContact CE2-NE2 3.5Å; Y626-H784 WeakPolarHBondContact CE2-NE2 3.35Å; Y626-H784 HydrophobicContact CG-CB 3.89Å; Y626-H784 AromaticContact CG-CD2 3.9Å; Y626-H784 AromaticContact CZ-CD2 3.51Å; Y626-H784 AromaticContact CZ-NE2 3.79Å
627	Y	90.8	Very high	92.5	Very high	106 Å²	106	23.8 Å²	23.8	42%	0.416	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-79.8	-5.1	179.2	-61.9	-73.7	0	0	0	113.7	T625 M804 Y808	T625-Y627 PolarHBondContact O-N 2.88Å; Y627-M804 HydrophobicContact CD2-CE 3.72Å; Y627-M804 HydrophobicContact CD2-CG 3.97Å; Y627-M804 HydrophobicContact CD2-SD 3.73Å; Y627-M804 HydrophobicContact CE2-CE 4.32Å; Y627-M804 HydrophobicContact CE2-CG 3.57Å; Y627-M804 HydrophobicContact CE2-SD 3.83Å; Y627-M804 HydrophobicContact CG-CE 4.26Å; Y627-Y808 HydrophobicContact CD1-CD2 4.2Å; Y627-Y808 AromaticContact CD1-CE2 3.43Å; Y627-Y808 HydrophobicContact CD1-CE2 3.43Å; Y627-Y808 VanDerWaalsContact CD1-CE2 3.43Å; Y627-Y808 AromaticContact CE1-CE2 3.78Å; Y627-Y808 HydrophobicContact CE1-CE2 3.78Å; Y627-Y808 AromaticContact CE1-CZ 4Å; Y627-Y808 HydrophobicContact CG-CD2 4.21Å; Y627-Y808 AromaticContact CG-CE2 3.9Å; Y627-Y808 HydrophobicContact CG-CE2 3.9Å
628	R	91.2	Very high	92.2	Very high	1 Å²	1	25.2 Å²	25.2	0%	0.004	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-109.9	12	-167.7	-60.6	176.8	68.2	-179.7	-5.5	113.8	E580 R587 E590 S624 T625 Y626 G630 S631 Y812 G813 F814	E580-R628 IonicContact OE1-NH2 2.66Å; E580-R628 PolarHBondContact OE1-NH2 2.92Å; E580-R628 IonicContact OE2-CZ 2.86Å; E580-R628 IonicContact OE2-NE 2.73Å; E580-R628 PolarHBondContact OE2-NE 3.13Å; E580-R628 IonicContact OE2-NH2 3.5Å; E580-R628 PolarHBondContact OE2-NH2 2.68Å; R587-R628 VanDerWaalsContact NH1-CZ 3.33Å; E590-R628 IonicContact OE1-CZ 3.84Å; E590-R628 IonicContact OE1-NH1 2.66Å; E590-R628 PolarHBondContact OE1-NH1 3.1Å; E590-R628 IonicContact OE1-NH2 3.92Å; E590-R628 PolarHBondContact OE1-NH2 3.27Å; E590-R628 IonicContact OE2-CZ 2.74Å; E590-R628 IonicContact OE2-NH1 3.13Å; E590-R628 PolarHBondContact OE2-NH1 3.32Å; S624-R628 WeakPolarHBondContact O-CD 3.42Å; S624-R628 WeakPolarHBondContact O-CG 3.34Å; T625-R628 PolarHBondContact O-N 3.4Å; Y626-R628 VanDerWaalsContact C-N 3.26Å; Y626-R628 PolarHBondContact O-N 3.32Å; R628-G630 PolarHBondContact O-N 2.82Å; R628-S631 PolarHBondContact O-N 3.09Å; R628-Y812 WeakPolarHBondContact CG-O 3.31Å; R628-G813 WeakPolarHBondContact CD-O 3.38Å; R628-G813 VanDerWaalsContact CG-O 3.25Å; R628-G813 WeakPolarHBondContact CG-O 3.43Å; R628-F814 VanDerWaalsContact CZ-CD1 3.48Å; R628-F814 VanDerWaalsContact NH2-CE1 3.32Å
629	A	83.9	Confident	92.1	Very high	10 Å²	10	25.4 Å²	25.4	8%	0.083	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-12.7	175.2	0	0	0	0	0	114.7	R727 I729	A629-R727 HydrophobicContact CB-CB 4.48Å; A629-R727 WeakPolarHBondContact O-CB 3.22Å; A629-R727 WeakPolarHBondContact O-CD 3.29Å; A629-I729 HydrophobicContact CB-CB 4.19Å; A629-I729 HydrophobicContact CB-CD1 3.92Å; A629-I729 HydrophobicContact CB-CG1 3.72Å
630	G	74.9	Confident	92	Very high	38 Å²	38	25.4 Å²	25.4	39%	0.392	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-25.1	172.7	0	0	0	0	0	114.5	R628 R727	R628-G630 PolarHBondContact O-N 2.82Å; G630-R727 PolarHBondContact O-NH1 2.6Å
631	S	82.8	Confident	92	Very high	37 Å²	37	25.3 Å²	25.3	26%	0.259	14%	0.142	S	C	.	.			trans	-127.6	155.6	-159	-51.9	0	0	0	0	113.5	R628	R628-S631 PolarHBondContact O-N 3.09Å
632	K	87.3	Confident	92.1	Very high	60 Å²	60	24.2 Å²	24.2	26%	0.261	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.4	-177.7	-177.8	-169.5	167.5	-178.9	0	111	D483 M574 L578 N579 E580	D483-K632 IonicContact OD1-NZ 3.47Å; D483-K632 PolarHBondContact OD1-NZ 3.44Å; D483-K632 IonicContact OD2-NZ 2.76Å; D483-K632 PolarHBondContact OD2-NZ 2.62Å; M574-K632 HydrophobicContact CG-CD 4.28Å; L578-K632 WeakPolarHBondContact O-CB 3.5Å; L578-K632 PolarHBondContact O-N 2.78Å; N579-K632 CarbonylContact C-O 3.5Å; N579-K632 WeakPolarHBondContact CA-O 3.43Å; N579-K632 WeakPolarHBondContact CB-O 3.31Å; N579-K632 PolarHBondContact ND2-O 3.46Å; E580-K632 PolarHBondContact N-O 2.88Å
633	P	92.3	Very high	92.1	Very high	34 Å²	34	23.5 Å²	23.5	22%	0.221	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	148.8	172.2	26.2	-33.5	0	0	0	111.3	N579 E580 L582 R587 N635	N579-P633 PolarHBondContact ND2-O 3.45Å; E580-P633 WeakPolarHBondContact OE1-CA 3.23Å; E580-P633 WeakPolarHBondContact OE1-CB 3.45Å; E580-P633 WeakPolarHBondContact OE1-CD 3.37Å; L582-P633 CarbonylContact O-C 3.56Å; L582-P633 WeakPolarHBondContact O-CA 3.47Å; L582-P633 WeakPolarHBondContact O-CB 3.31Å; R587-P633 HydrophobicContact CG-CB 3.87Å; R587-P633 HydrophobicContact CG-CG 4.17Å; P633-N635 PolarHBondContact O-N 3.18Å
634	F	93.4	Very high	92.2	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	133.2	170.1	-80	-92	0	0	0	110.3	V576 N579 E580 L582 N583 T584 P636 D842 Q843 L846 K858	V576-F634 HydrophobicContact CG2-CE1 4.08Å; V576-F634 HydrophobicContact CG2-CZ 3.75Å; N579-F634 HydrophobicContact CB-CD2 4.22Å; N579-F634 HydrophobicContact CB-CE2 3.88Å; N579-F634 HydrophobicContact CB-CZ 4.05Å; E580-F634 WeakPolarHBondContact O-CD2 3.26Å; E580-F634 VanDerWaalsContact O-CE2 3.25Å; E580-F634 WeakPolarHBondContact O-CE2 3.24Å; L582-F634 PolarHBondContact O-N 2.97Å; N583-F634 VanDerWaalsContact CA-O 3.27Å; N583-F634 WeakPolarHBondContact CA-O 3.49Å; N583-F634 HydrophobicContact CB-CB 3.96Å; N583-F634 WeakPolarHBondContact CB-O 3.18Å; T584-F634 PolarHBondContact N-O 2.96Å; T584-F634 VanDerWaalsContact N-O 3.12Å; F634-P636 WeakPolarHBondContact O-CD 3.3Å; F634-D842 HydrophobicContact CE1-CB 4.37Å; F634-D842 VanDerWaalsContact CE1-OD2 3.3Å; F634-D842 WeakPolarHBondContact CE1-OD2 3.39Å; F634-Q843 HydrophobicContact CD2-CB 3.98Å; F634-Q843 HydrophobicContact CD2-CG 3.77Å; F634-Q843 HydrophobicContact CE2-CB 3.9Å; F634-Q843 HydrophobicContact CE2-CG 3.85Å; F634-Q843 HydrophobicContact CG-CB 4.41Å; F634-Q843 HydrophobicContact CZ-CB 4.25Å; F634-L846 HydrophobicContact CE2-CD2 3.69Å; F634-L846 HydrophobicContact CZ-CB 4.36Å; F634-L846 HydrophobicContact CZ-CD2 3.88Å; F634-K858 HydrophobicContact CE1-CD 4.3Å
635	N	90.9	Very high	92.3	Very high	31 Å²	31	25 Å²	25	17%	0.166	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-72.6	121.1	172.3	-173	25.6	0	0	0	108.8	P633 R840	P633-N635 PolarHBondContact O-N 3.18Å; N635-R840 PolarHBondContact O-NH1 3.4Å
636	P	94.5	Very high	92.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	P	Polyproline II helix	trans	-68.8	149.2	-177.1	-18.4	31.8	0	0	0	112.8	N583 L585 F634 E640 Q657 H660	N583-P636 HydrophobicContact CB-CG 4.29Å; L585-P636 HydrophobicContact CD1-CB 4.19Å; L585-P636 HydrophobicContact CD1-CG 4.47Å; L585-P636 HydrophobicContact CD2-CB 4.42Å; L585-P636 HydrophobicContact CD2-CG 4.11Å; L585-P636 HydrophobicContact CG-CB 3.97Å; L585-P636 HydrophobicContact CG-CG 3.72Å; F634-P636 WeakPolarHBondContact O-CD 3.3Å; P636-E640 WeakPolarHBondContact CA-OE2 3.43Å; P636-E640 HydrophobicContact CB-CB 4.25Å; P636-Q657 HydrophobicContact CB-CB 3.89Å; P636-Q657 HydrophobicContact CB-CG 3.89Å; P636-H660 PolarHBondContact O-ND1 3.29Å
637	L	94.3	Very high	92.4	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.153	C	C	.	.	P	Polyproline II helix	trans	-75.5	150.8	174	-47.7	168.6	0	0	0	109.9	G639 E640 Q657 I861 L920 W921	L637-G639 PolarHBondContact O-N 2.93Å; L637-E640 HydrophobicContact CB-CB 4.14Å; L637-E640 WeakPolarHBondContact CG-OE2 3.35Å; L637-E640 PolarHBondContact N-OE2 3.49Å; L637-E640 WeakPolarHBondContact O-CB 3.46Å; L637-E640 PolarHBondContact O-N 3.22Å; L637-Q657 WeakPolarHBondContact O-CB 3.48Å; L637-Q657 WeakPolarHBondContact O-CG 3.38Å; L637-I861 HydrophobicContact CD1-CG2 3.33Å; L637-I861 HydrophobicContact CD2-CG2 3.55Å; L637-I861 HydrophobicContact CG-CG2 4.03Å; L637-L920 HydrophobicContact CD1-CB 3.96Å; L637-W921 HydrophobicContact CD1-CE3 3.78Å; L637-W921 HydrophobicContact CD1-CZ3 3.93Å
638	L	94.3	Very high	92.6	Very high	34 Å²	34	27.5 Å²	27.5	18%	0.178	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	117.8	174	-173.2	60.5	0	0	0	110.3	H660 H879	L638-H660 HydrophobicContact CB-CB 4.02Å; L638-H660 HydrophobicContact CD1-CB 4.09Å; L638-H660 HydrophobicContact CG-CB 4.48Å; L638-H879 VanDerWaalsContact CD1-CD2 3.4Å; L638-H879 WeakPolarHBondContact CD1-CD2 3.39Å; L638-H879 HydrophobicContact CD2-CB 3.84Å; L638-H879 HydrophobicContact CG-CB 4.36Å
639	G	94.9	Very high	92.8	Very high	10 Å²	10	29.5 Å²	29.5	10%	0.103	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	5.6	-172.6	0	0	0	0	0	115.7	L637 Q657	L637-G639 PolarHBondContact O-N 2.93Å; G639-Q657 PolarHBondContact N-O 3.42Å
640	E	97.4	Very high	93.4	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.18	C	C	.	.			trans	-66.4	144.8	165.9	-166.7	176.7	147.7	0	0	109.6	N583 L585 P636 L637 E656 Q657 R840 L920 W921	N583-E640 PolarHBondContact ND2-OE1 2.97Å; L585-E640 HydrophobicContact CD1-CB 4.34Å; L585-E640 HydrophobicContact CD1-CG 4.3Å; L585-E640 WeakPolarHBondContact CD1-O 3.3Å; P636-E640 WeakPolarHBondContact CA-OE2 3.43Å; P636-E640 HydrophobicContact CB-CB 4.25Å; L637-E640 HydrophobicContact CB-CB 4.14Å; L637-E640 WeakPolarHBondContact CG-OE2 3.35Å; L637-E640 PolarHBondContact N-OE2 3.49Å; L637-E640 WeakPolarHBondContact O-CB 3.46Å; L637-E640 PolarHBondContact O-N 3.22Å; E640-E656 CarbonylContact O-C 3.52Å; E640-E656 WeakPolarHBondContact O-CA 3.34Å; E640-Q657 PolarHBondContact O-N 3.19Å; E640-R840 WeakPolarHBondContact OE1-CD 3.48Å; E640-R840 IonicContact OE1-NH1 3.22Å; E640-R840 IonicContact OE2-CZ 2.82Å; E640-R840 IonicContact OE2-NH1 3.8Å; E640-R840 PolarHBondContact OE2-NH1 3.01Å; E640-L920 HydrophobicContact CB-CD1 4.06Å; E640-W921 HydrophobicContact CG-CZ3 4.35Å
641	T	97.8	Very high	94.6	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	163.8	-177.7	54	0	0	0	0	111.3	S655 E656 T835 D836 A837 F883	T641-S655 CarbonylContact C-O 3.3Å; T641-S655 WeakPolarHBondContact CA-O 3.34Å; T641-S655 WeakPolarHBondContact CB-O 3.43Å; T641-E656 HydrophobicContact CG2-CB 4.15Å; T641-E656 HydrophobicContact CG2-CG 4.04Å; T641-T835 PolarHBondContact N-O 2.98Å; T641-T835 WeakPolarHBondContact OG1-CB 3.23Å; T641-T835 PolarHBondContact OG1-O 3.2Å; T641-T835 VanDerWaalsContact OG1-O 3.05Å; T641-T835 PolarHBondContact OG1-OG1 2.75Å; T641-D836 CarbonylContact O-C 3.56Å; T641-D836 VanDerWaalsContact O-CA 3.29Å; T641-D836 WeakPolarHBondContact O-CA 3.48Å; T641-D836 PolarHBondContact OG1-N 2.76Å; T641-A837 PolarHBondContact O-N 3.27Å; T641-F883 HydrophobicContact CG2-CD2 3.93Å; T641-F883 HydrophobicContact CG2-CE2 3.92Å
642	Y	98.6	Very high	95.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	133.9	167.3	175.1	-110.1	0	0	0	110.7	Q586 C589 C644 F653 F654 S655 L821 D836 A837 R838	Q586-Y642 HydrophobicContact CB-CD1 4.42Å; Q586-Y642 HydrophobicContact CB-CE1 4.37Å; Q586-Y642 HydrophobicContact CG-CD1 3.65Å; Q586-Y642 HydrophobicContact CG-CD2 3.58Å; Q586-Y642 HydrophobicContact CG-CE1 3.68Å; Q586-Y642 HydrophobicContact CG-CE2 3.56Å; Q586-Y642 HydrophobicContact CG-CG 3.63Å; C589-Y642 HydrophobicContact CB-CD1 4.39Å; C589-Y642 HydrophobicContact CB-CE1 3.86Å; Y642-C644 HydrophobicContact CE1-CB 3.87Å; Y642-F653 HydrophobicContact CD1-CD1 4.33Å; Y642-F653 AromaticContact CD1-CE1 3.89Å; Y642-F653 HydrophobicContact CD1-CE1 3.89Å; Y642-F653 HydrophobicContact CE1-CE1 4.37Å; Y642-F654 CarbonylContact O-C 3.56Å; Y642-F654 VanDerWaalsContact O-CA 3.31Å; Y642-F654 WeakPolarHBondContact O-CA 3.49Å; Y642-S655 PolarHBondContact N-O 2.77Å; Y642-S655 PolarHBondContact O-N 2.96Å; Y642-S655 PolarHBondContact O-OG 2.94Å; Y642-L821 HydrophobicContact CE1-CD2 4.41Å; Y642-L821 WeakPolarHBondContact CE2-O 3.38Å; Y642-L821 WeakPolarHBondContact OH-CA 3.44Å; Y642-L821 VanDerWaalsContact OH-CD2 3.28Å; Y642-L821 WeakPolarHBondContact OH-CD2 3.35Å; Y642-L821 PolarHBondContact OH-O 3.22Å; Y642-D836 VanDerWaalsContact CA-OD2 3.31Å; Y642-D836 WeakPolarHBondContact CA-OD2 3.49Å; Y642-A837 HydrophobicContact CD2-CB 4.08Å; Y642-R838 VanDerWaalsContact CE2-CZ 3.43Å; Y642-R838 VanDerWaalsContact CE2-NH1 3.27Å; Y642-R838 PolarHBondContact OH-NH2 3.35Å
643	E	97.9	Very high	95.8	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.009	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	154.9	166.6	61.9	159.3	-123.3	0	0	114	F653 F654 L832 D836 R838 Y902 W903 R906	E643-F653 CarbonylContact C-O 3.53Å; E643-F653 VanDerWaalsContact CA-O 3.29Å; E643-F653 WeakPolarHBondContact CA-O 3.3Å; E643-F654 HydrophobicContact CB-CB 4.43Å; E643-L832 HydrophobicContact CG-CD2 3.3Å; E643-L832 WeakPolarHBondContact OE1-CD2 3.41Å; E643-D836 PolarHBondContact N-OD2 2.9Å; E643-R838 VanDerWaalsContact O-CZ 3.28Å; E643-R838 PolarHBondContact O-NH1 2.91Å; E643-R838 PolarHBondContact O-NH2 2.64Å; E643-Y902 HydrophobicContact CB-CE1 4.06Å; E643-Y902 WeakPolarHBondContact CB-OH 3.49Å; E643-Y902 WeakPolarHBondContact OE2-CE1 3.43Å; E643-Y902 PolarHBondContact OE2-OH 3.43Å; E643-W903 HydrophobicContact CB-CH2 4.21Å; E643-R906 VanDerWaalsContact CD-NE 3.3Å; E643-R906 IonicContact OE1-CZ 3.34Å; E643-R906 IonicContact OE1-NE 3.11Å; E643-R906 PolarHBondContact OE1-NE 3.15Å; E643-R906 VanDerWaalsContact OE1-NE 3.11Å; E643-R906 IonicContact OE1-NH2 2.77Å; E643-R906 PolarHBondContact OE1-NH2 3.08Å; E643-R906 VanDerWaalsContact OE2-CD 3.24Å; E643-R906 WeakPolarHBondContact OE2-CD 3.45Å; E643-R906 IonicContact OE2-CZ 3.69Å; E643-R906 IonicContact OE2-NE 2.69Å; E643-R906 PolarHBondContact OE2-NE 3.42Å; E643-R906 IonicContact OE2-NH2 3.67Å
644	C	97.7	Very high	96.1	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.02	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	112.2	170.6	-170.1	0	0	0	0	110.3	C589 Y642 F653	C589-C644 VanDerWaalsContact SG-CB 3.52Å; Y642-C644 HydrophobicContact CE1-CB 3.87Å; C644-F653 HydrophobicContact CB-CB 4.33Å; C644-F653 HydrophobicContact CB-CD1 4.36Å; C644-F653 PolarHBondContact N-O 3.17Å; C644-F653 PolarHBondContact O-N 3.39Å
645	I	96.3	Very high	96.4	Very high	49 Å²	49	25.1 Å²	25.1	25%	0.251	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.2	171.4	-60.6	177.8	0	0	0	108.2	R541 E647 C652 W903	R541-I645 PolarHBondContact NH2-O 3.24Å; I645-E647 HydrophobicContact CG2-CG 4.23Å; I645-C652 HydrophobicContact CG1-CB 4.42Å; I645-W903 HydrophobicContact CD1-CZ3 4.1Å; I645-W903 HydrophobicContact CG1-CH2 4.18Å; I645-W903 HydrophobicContact CG1-CZ3 4.23Å
646	R	95.9	Very high	96.7	Very high	7 Å²	7	23.8 Å²	23.8	3%	0.026	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	83.1	177.5	-62.3	-58	-62.7	-131.3	6.7	109.3	D648 K649 G650 F651 F817 E820	R646-D648 WeakPolarHBondContact CA-OD1 3.41Å; R646-D648 IonicContact CZ-OD1 2.71Å; R646-D648 IonicContact CZ-OD2 3.16Å; R646-D648 IonicContact NE-OD1 3.64Å; R646-D648 PolarHBondContact NE-OD1 3Å; R646-D648 IonicContact NE-OD2 2.7Å; R646-D648 PolarHBondContact NE-OD2 3.09Å; R646-D648 IonicContact NH2-OD1 3.83Å; R646-D648 IonicContact NH2-OD2 3.61Å; R646-D648 PolarHBondContact NH2-OD2 2.73Å; R646-D648 PolarHBondContact O-N 2.87Å; R646-K649 HydrophobicContact CB-CB 3.89Å; R646-K649 CarbonylContact O-C 3.34Å; R646-K649 PolarHBondContact O-N 3.19Å; R646-G650 PolarHBondContact O-N 2.58Å; R646-F651 HydrophobicContact CB-CD1 4.15Å; R646-F651 HydrophobicContact CB-CD2 4.32Å; R646-F651 HydrophobicContact CB-CE1 3.98Å; R646-F651 HydrophobicContact CB-CE2 4.13Å; R646-F651 HydrophobicContact CB-CG 4.33Å; R646-F651 HydrophobicContact CB-CZ 3.96Å; R646-F651 HydrophobicContact CG-CD2 4.38Å; R646-F651 HydrophobicContact CG-CE1 3.9Å; R646-F651 HydrophobicContact CG-CE2 3.7Å; R646-F651 HydrophobicContact CG-CZ 3.44Å; R646-F651 VanDerWaalsContact CG-CZ 3.44Å; R646-F651 PolarHBondContact N-O 2.8Å; R646-F651 PolarHBondContact O-N 2.78Å; R646-F651 VanDerWaalsContact O-N 3.14Å; R646-F817 HydrophobicContact CG-CE2 4.31Å; R646-E820 IonicContact CZ-OE2 1.95Å; R646-E820 IonicContact NH1-OE2 3.49Å; R646-E820 PolarHBondContact NH1-OE2 3.49Å; R646-E820 IonicContact NH2-OE2 2.77Å; R646-E820 PolarHBondContact NH2-OE2 3.42Å
647	E	94	Very high	96.9	Very high	176 Å²	176	23.8 Å²	23.8	82%	0.822	13%	0.133	S	C	*	.	G	3₁₀ helix	trans	-55.7	-36.8	171.8	-59.8	-175.9	169.7	0	0	111.2	I645 K649 G650	I645-E647 HydrophobicContact CG2-CG 4.23Å; E647-K649 PolarHBondContact O-N 3.45Å; E647-G650 PolarHBondContact O-N 3.37Å
648	D	94.3	Very high	96.9	Very high	84 Å²	84	24 Å²	24	45%	0.449	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-67.7	-16.7	176.6	63.2	-53.3	0	0	0	114.7	R541 R646	R541-D648 IonicContact NH2-OD1 2.68Å; R646-D648 WeakPolarHBondContact CA-OD1 3.41Å; R646-D648 IonicContact CZ-OD1 2.71Å; R646-D648 IonicContact CZ-OD2 3.16Å; R646-D648 IonicContact NE-OD1 3.64Å; R646-D648 PolarHBondContact NE-OD1 3Å; R646-D648 IonicContact NE-OD2 2.7Å; R646-D648 PolarHBondContact NE-OD2 3.09Å; R646-D648 IonicContact NH2-OD1 3.83Å; R646-D648 IonicContact NH2-OD2 3.61Å; R646-D648 PolarHBondContact NH2-OD2 2.73Å; R646-D648 PolarHBondContact O-N 2.87Å
649	K	96	Very high	96.8	Very high	43 Å²	43	23.6 Å²	23.6	19%	0.187	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-122.2	13.4	173.3	-69.9	177.1	163.3	-77	0	113	E593 E596 R646 E647 F651 F817	E593-K649 VanDerWaalsContact O-CE 3.28Å; E593-K649 WeakPolarHBondContact O-CE 3.18Å; E593-K649 PolarHBondContact O-NZ 3.36Å; E596-K649 IonicContact OE2-NZ 2.85Å; E596-K649 PolarHBondContact OE2-NZ 3.06Å; R646-K649 HydrophobicContact CB-CB 3.89Å; R646-K649 CarbonylContact O-C 3.34Å; R646-K649 PolarHBondContact O-N 3.19Å; E647-K649 PolarHBondContact O-N 3.45Å; K649-F651 VanDerWaalsContact C-N 3.28Å; K649-F651 HydrophobicContact CB-CD1 3.7Å; K649-F651 HydrophobicContact CB-CE1 3.76Å; K649-F651 HydrophobicContact CD-CE1 3.93Å; K649-F651 PolarHBondContact O-N 3.24Å; K649-F817 HydrophobicContact CD-CE2 4.26Å
650	G	97.1	Very high	96.3	Very high	41 Å²	41	23.4 Å²	23.4	42%	0.423	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	16.5	175.8	0	0	0	0	0	117.3	R646 E647	R646-G650 PolarHBondContact O-N 2.58Å; E647-G650 PolarHBondContact O-N 3.37Å
651	F	98.2	Very high	95.5	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	154.6	-173.8	78.2	-110.9	0	0	0	115.5	L592 R646 K649 F653 C669 E670 F674 F817	L592-F651 HydrophobicContact CB-CE1 3.89Å; L592-F651 HydrophobicContact CB-CE2 4.32Å; L592-F651 HydrophobicContact CB-CZ 3.63Å; L592-F651 HydrophobicContact CD1-CD2 4.31Å; L592-F651 HydrophobicContact CD1-CE2 3.88Å; L592-F651 HydrophobicContact CD1-CZ 4.04Å; L592-F651 HydrophobicContact CG-CZ 4.44Å; R646-F651 HydrophobicContact CB-CD1 4.15Å; R646-F651 HydrophobicContact CB-CD2 4.32Å; R646-F651 HydrophobicContact CB-CE1 3.98Å; R646-F651 HydrophobicContact CB-CE2 4.13Å; R646-F651 HydrophobicContact CB-CG 4.33Å; R646-F651 HydrophobicContact CB-CZ 3.96Å; R646-F651 HydrophobicContact CG-CD2 4.38Å; R646-F651 HydrophobicContact CG-CE1 3.9Å; R646-F651 HydrophobicContact CG-CE2 3.7Å; R646-F651 HydrophobicContact CG-CZ 3.44Å; R646-F651 VanDerWaalsContact CG-CZ 3.44Å; R646-F651 PolarHBondContact N-O 2.8Å; R646-F651 PolarHBondContact O-N 2.78Å; R646-F651 VanDerWaalsContact O-N 3.14Å; K649-F651 VanDerWaalsContact C-N 3.28Å; K649-F651 HydrophobicContact CB-CD1 3.7Å; K649-F651 HydrophobicContact CB-CE1 3.76Å; K649-F651 HydrophobicContact CD-CE1 3.93Å; K649-F651 PolarHBondContact O-N 3.24Å; F651-F653 HydrophobicContact CD2-CB 4.18Å; F651-F653 HydrophobicContact CE2-CB 3.99Å; F651-C669 VanDerWaalsContact CD2-SG 3.56Å; F651-E670 CarbonylContact C-O 3.32Å; F651-E670 WeakPolarHBondContact CA-O 3.15Å; F651-F674 HydrophobicContact CB-CZ 4.42Å; F651-F817 HydrophobicContact CZ-CE2 4.4Å; F651-F817 HydrophobicContact CZ-CZ 4.13Å
652	C	98	Very high	94.7	Very high	43 Å²	43	27.7 Å²	27.7	29%	0.291	16%	0.155	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	115.3	171.7	-60.6	0	0	0	0	110	I645 C669 E670 W903	I645-C652 HydrophobicContact CG1-CB 4.42Å; C652-C669 WeakPolarHBondContact O-CA 3.33Å; C652-E670 PolarHBondContact N-O 3.37Å; C652-E670 PolarHBondContact O-N 3.02Å; C652-W903 HydrophobicContact CB-CH2 3.94Å; C652-W903 HydrophobicContact CB-CZ2 3.52Å
653	F	98.8	Very high	94.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	140.9	179.5	170.7	-77.6	0	0	0	111.2	M588 C589 L592 Y642 E643 C644 F651 S655 C667 C669 W903	M588-F653 HydrophobicContact CB-CZ 4.23Å; C589-F653 HydrophobicContact CB-CD1 4.06Å; C589-F653 HydrophobicContact CB-CD2 4.37Å; C589-F653 HydrophobicContact CB-CE1 3.76Å; C589-F653 HydrophobicContact CB-CE2 4.04Å; C589-F653 HydrophobicContact CB-CG 4.37Å; C589-F653 HydrophobicContact CB-CZ 3.73Å; L592-F653 HydrophobicContact CD1-CB 4.28Å; L592-F653 HydrophobicContact CD1-CD2 3.53Å; L592-F653 HydrophobicContact CD1-CE2 4.28Å; L592-F653 HydrophobicContact CD1-CG 4.3Å; Y642-F653 HydrophobicContact CD1-CD1 4.33Å; Y642-F653 AromaticContact CD1-CE1 3.89Å; Y642-F653 HydrophobicContact CD1-CE1 3.89Å; Y642-F653 HydrophobicContact CE1-CE1 4.37Å; E643-F653 CarbonylContact C-O 3.53Å; E643-F653 VanDerWaalsContact CA-O 3.29Å; E643-F653 WeakPolarHBondContact CA-O 3.3Å; C644-F653 HydrophobicContact CB-CB 4.33Å; C644-F653 HydrophobicContact CB-CD1 4.36Å; C644-F653 PolarHBondContact N-O 3.17Å; C644-F653 PolarHBondContact O-N 3.39Å; F651-F653 HydrophobicContact CD2-CB 4.18Å; F651-F653 HydrophobicContact CE2-CB 3.99Å; F653-S655 WeakPolarHBondContact CE1-OG 3.34Å; F653-C667 HydrophobicContact CD2-CB 4.44Å; F653-C667 HydrophobicContact CE1-CB 4.39Å; F653-C667 HydrophobicContact CE2-CB 3.51Å; F653-C667 HydrophobicContact CZ-CB 3.47Å; F653-C667 VanDerWaalsContact CZ-CB 3.47Å; F653-C669 HydrophobicContact CB-CB 4.23Å; F653-C669 HydrophobicContact CD2-CB 4.05Å; F653-W903 WeakPolarHBondContact O-CH2 3.49Å
654	F	98.7	Very high	93.9	Very high	2 Å²	2	27.9 Å²	27.9	1%	0.009	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	155.1	162.3	74.9	-88.4	0	0	0	112.4	Y642 E643 C667 H668 F883 F884 Y902 W903	Y642-F654 CarbonylContact O-C 3.56Å; Y642-F654 VanDerWaalsContact O-CA 3.31Å; Y642-F654 WeakPolarHBondContact O-CA 3.49Å; E643-F654 HydrophobicContact CB-CB 4.43Å; F654-C667 CarbonylContact O-C 3.49Å; F654-C667 WeakPolarHBondContact O-CA 3.01Å; F654-H668 HydrophobicContact CD1-CB 4.4Å; F654-H668 HydrophobicContact CE1-CB 3.86Å; F654-H668 AromaticContact CE1-CD2 3.67Å; F654-H668 HydrophobicContact CE2-CB 4.43Å; F654-H668 HydrophobicContact CZ-CB 3.87Å; F654-H668 PolarHBondContact N-O 3.03Å; F654-H668 PolarHBondContact O-N 2.98Å; F654-H668 VanDerWaalsContact O-O 3.13Å; F654-F883 HydrophobicContact CD2-CB 4.44Å; F654-F883 HydrophobicContact CE2-CB 3.93Å; F654-F884 AromaticContact CD2-CE2 3.76Å; F654-F884 HydrophobicContact CD2-CE2 3.76Å; F654-F884 AromaticContact CD2-CZ 3.92Å; F654-F884 HydrophobicContact CD2-CZ 3.92Å; F654-F884 HydrophobicContact CE2-CD2 4.26Å; F654-F884 HydrophobicContact CE2-CE1 4.4Å; F654-F884 AromaticContact CE2-CE2 3.43Å; F654-F884 HydrophobicContact CE2-CE2 3.43Å; F654-F884 VanDerWaalsContact CE2-CE2 3.43Å; F654-F884 AromaticContact CE2-CZ 3.5Å; F654-F884 HydrophobicContact CE2-CZ 3.5Å; F654-F884 HydrophobicContact CZ-CZ 4.25Å; F654-Y902 HydrophobicContact CB-CD1 3.76Å; F654-Y902 HydrophobicContact CB-CD2 4.15Å; F654-Y902 HydrophobicContact CB-CE1 3.78Å; F654-Y902 HydrophobicContact CB-CE2 4.17Å; F654-Y902 HydrophobicContact CB-CG 3.97Å; F654-Y902 HydrophobicContact CD1-CD1 4.06Å; F654-Y902 HydrophobicContact CD1-CG 4.03Å; F654-Y902 HydrophobicContact CD2-CD1 4.32Å; F654-Y902 AromaticContact CD2-CD2 3.68Å; F654-Y902 HydrophobicContact CD2-CD2 3.68Å; F654-Y902 HydrophobicContact CD2-CE2 4.36Å; F654-Y902 AromaticContact CD2-CG 3.68Å; F654-Y902 HydrophobicContact CD2-CG 3.68Å; F654-Y902 HydrophobicContact CE1-CG 4.44Å; F654-Y902 HydrophobicContact CE2-CD2 4.28Å; F654-Y902 HydrophobicContact CE2-CG 4.13Å; F654-Y902 AromaticContact CG-CD1 3.8Å; F654-Y902 HydrophobicContact CG-CD1 3.8Å; F654-Y902 AromaticContact CG-CD2 3.98Å; F654-Y902 HydrophobicContact CG-CD2 3.98Å; F654-Y902 HydrophobicContact CG-CE1 4.34Å; F654-Y902 HydrophobicContact CG-CE2 4.5Å; F654-Y902 AromaticContact CG-CG 3.63Å; F654-Y902 HydrophobicContact CG-CG 3.63Å; F654-Y902 HydrophobicContact CZ-CG 4.49Å; F654-W903 HydrophobicContact CB-CH2 4.25Å; F654-W903 HydrophobicContact CB-CZ2 4.09Å; F654-W903 AromaticContact CD1-CE2 3.73Å; F654-W903 AromaticContact CD1-CZ2 3.73Å; F654-W903 HydrophobicContact CD1-CZ2 3.73Å; F654-W903 AromaticContact CD1-NE1 3.73Å; F654-W903 AromaticContact CE1-NE1 3.93Å; F654-W903 HydrophobicContact CG-CZ2 4.4Å
655	S	98.7	Very high	93.8	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	158.1	177.6	57.9	0	0	0	0	113.1	L585 T641 Y642 F653 A666	L585-S655 WeakPolarHBondContact CB-OG 3.5Å; L585-S655 PolarHBondContact O-OG 3.39Å; T641-S655 CarbonylContact C-O 3.3Å; T641-S655 WeakPolarHBondContact CA-O 3.34Å; T641-S655 WeakPolarHBondContact CB-O 3.43Å; Y642-S655 PolarHBondContact N-O 2.77Å; Y642-S655 PolarHBondContact O-N 2.96Å; Y642-S655 PolarHBondContact O-OG 2.94Å; F653-S655 WeakPolarHBondContact CE1-OG 3.34Å; S655-A666 CarbonylContact C-O 3.59Å; S655-A666 WeakPolarHBondContact CA-O 3.49Å; S655-A666 WeakPolarHBondContact CB-O 3.33Å
656	E	98.3	Very high	93.9	Very high	3 Å²	3	25.4 Å²	25.4	1%	0.014	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	143.4	-179.7	-174.6	173.4	-162.3	0	0	110.6	E640 T641 V658 A666 P881 R882 F883 F884	E640-E656 CarbonylContact O-C 3.52Å; E640-E656 WeakPolarHBondContact O-CA 3.34Å; T641-E656 HydrophobicContact CG2-CB 4.15Å; T641-E656 HydrophobicContact CG2-CG 4.04Å; E656-V658 VanDerWaalsContact C-N 3.32Å; E656-V658 HydrophobicContact CB-CG1 4.15Å; E656-V658 HydrophobicContact CG-CG1 4.24Å; E656-V658 PolarHBondContact O-N 3.13Å; E656-V658 VanDerWaalsContact O-N 3.08Å; E656-A666 PolarHBondContact N-O 2.89Å; E656-A666 PolarHBondContact O-N 3.44Å; E656-P881 WeakPolarHBondContact OE1-CA 3.39Å; E656-R882 PolarHBondContact OE1-N 2.62Å; E656-R882 PolarHBondContact OE2-N 2.95Å; E656-F883 PolarHBondContact OE2-N 2.68Å; E656-F884 HydrophobicContact CB-CD2 3.59Å; E656-F884 HydrophobicContact CB-CE2 3.71Å; E656-F884 PolarHBondContact OE2-N 2.86Å
657	Q	97.1	Very high	94	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	79.6	169.5	-168.9	66.8	26.4	0	0	110.5	L585 P636 L637 G639 E640 S659 V664 S665	L585-Q657 HydrophobicContact CD2-CB 4.44Å; P636-Q657 HydrophobicContact CB-CB 3.89Å; P636-Q657 HydrophobicContact CB-CG 3.89Å; L637-Q657 WeakPolarHBondContact O-CB 3.48Å; L637-Q657 WeakPolarHBondContact O-CG 3.38Å; G639-Q657 PolarHBondContact N-O 3.42Å; E640-Q657 PolarHBondContact O-N 3.19Å; Q657-S659 VanDerWaalsContact C-N 3.27Å; Q657-S659 PolarHBondContact NE2-O 3.32Å; Q657-S659 PolarHBondContact O-N 3.46Å; Q657-V664 PolarHBondContact NE2-O 2.96Å; Q657-S665 PolarHBondContact OE1-OG 2.89Å
658	V	95.4	Very high	94.2	Very high	5 Å²	5	17.5 Å²	17.5	3%	0.03	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-20.2	-173.3	-60.8	0	0	0	0	114.8	E656 V664 A666 P881 F884 W896	E656-V658 VanDerWaalsContact C-N 3.32Å; E656-V658 HydrophobicContact CB-CG1 4.15Å; E656-V658 HydrophobicContact CG-CG1 4.24Å; E656-V658 PolarHBondContact O-N 3.13Å; E656-V658 VanDerWaalsContact O-N 3.08Å; V658-V664 HydrophobicContact CG2-CB 3.92Å; V658-V664 HydrophobicContact CG2-CG1 3.81Å; V658-V664 WeakPolarHBondContact CG2-O 3.5Å; V658-V664 PolarHBondContact N-O 3.38Å; V658-V664 VanDerWaalsContact N-O 3.17Å; V658-A666 HydrophobicContact CG1-CB 3.73Å; V658-A666 HydrophobicContact CG2-CB 4Å; V658-P881 HydrophobicContact CB-CB 4.1Å; V658-P881 HydrophobicContact CB-CG 3.77Å; V658-P881 HydrophobicContact CG1-CB 3.93Å; V658-P881 HydrophobicContact CG1-CG 4.17Å; V658-P881 VanDerWaalsContact O-CG 3.23Å; V658-P881 WeakPolarHBondContact O-CG 3.34Å; V658-F884 HydrophobicContact CG1-CB 3.61Å; V658-F884 HydrophobicContact CG1-CD2 4.03Å; V658-F884 HydrophobicContact CG1-CG 3.94Å; V658-W896 HydrophobicContact CB-CD2 3.85Å; V658-W896 HydrophobicContact CB-CE3 3.96Å; V658-W896 HydrophobicContact CB-CG 4.33Å; V658-W896 HydrophobicContact CB-CH2 4.35Å; V658-W896 HydrophobicContact CB-CZ2 4.24Å; V658-W896 HydrophobicContact CB-CZ3 4.22Å; V658-W896 HydrophobicContact CG1-CD2 4.27Å; V658-W896 HydrophobicContact CG1-CE3 4.14Å; V658-W896 HydrophobicContact CG2-CB 4.43Å; V658-W896 HydrophobicContact CG2-CD2 3.7Å; V658-W896 HydrophobicContact CG2-CE3 4.32Å; V658-W896 HydrophobicContact CG2-CG 3.73Å; V658-W896 HydrophobicContact CG2-CZ2 4.3Å
659	S	91.9	Very high	94.4	Very high	26 Å²	26	13.5 Å²	13.5	18%	0.182	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	150.8	171.7	179.2	0	0	0	0	110.1	Q657 P662 P663 V664	Q657-S659 VanDerWaalsContact C-N 3.27Å; Q657-S659 PolarHBondContact NE2-O 3.32Å; Q657-S659 PolarHBondContact O-N 3.46Å; S659-P662 WeakPolarHBondContact CB-O 2.83Å; S659-P662 PolarHBondContact OG-O 2.95Å; S659-P663 WeakPolarHBondContact O-CA 3.43Å; S659-V664 PolarHBondContact N-O 3.18Å; S659-V664 VanDerWaalsContact N-O 3.14Å; S659-V664 PolarHBondContact O-N 2.82Å
660	H	84.8	Confident	94.5	Very high	6 Å²	6	15 Å²	15	3%	0.028	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	-27.6	176.2	-166.3	94.7	0	0	0	112.6	A484 P636 L638 P662 P663 Q865 R869	A484-H660 WeakPolarHBondContact CB-NE2 3.35Å; P636-H660 PolarHBondContact O-ND1 3.29Å; L638-H660 HydrophobicContact CB-CB 4.02Å; L638-H660 HydrophobicContact CD1-CB 4.09Å; L638-H660 HydrophobicContact CG-CB 4.48Å; H660-P662 CarbonylContact C-O 3.56Å; H660-P662 CarbonylContact O-C 3.5Å; H660-P662 VanDerWaalsContact O-C 3.3Å; H660-P663 WeakPolarHBondContact O-CA 3.28Å; H660-P663 VanDerWaalsContact O-CD 3.32Å; H660-P663 WeakPolarHBondContact O-CD 3.45Å; H660-Q865 PolarHBondContact CE1-NE2 3.46Å; H660-Q865 VanDerWaalsContact CE1-NE2 3.31Å; H660-R869 PolarHBondContact CD2-NH2 3.04Å; H660-R869 PolarHBondContact NE2-NH2 3.37Å
661	H	79.4	Confident	94.6	Very high	43 Å²	43	14 Å²	14	20%	0.199	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	-132.1	101	177.3	-70.9	-32	0	0	0	111.1	A484 E486 R869	A484-H661 PolarHBondContact O-CE1 2.89Å; A484-H661 VanDerWaalsContact O-CE1 3.31Å; E486-H661 WeakPolarHBondContact CG-CD2 3.49Å; E486-H661 WeakPolarHBondContact CG-NE2 3.33Å; E486-H661 WeakPolarHBondContact OE1-CB 3.35Å; E486-H661 IonicContact OE1-CD2 2.9Å; E486-H661 PolarHBondContact OE1-CD2 2.6Å; E486-H661 IonicContact OE1-CG 3.61Å; E486-H661 VanDerWaalsContact OE1-CG 3.32Å; E486-H661 IonicContact OE1-NE2 2.72Å; H661-R869 VanDerWaalsContact CD2-CZ 3.47Å; H661-R869 PolarHBondContact CD2-NE 3.47Å; H661-R869 PolarHBondContact NE2-NH1 2.86Å; H661-R869 VanDerWaalsContact NE2-NH1 3.13Å; H661-R869 PolarHBondContact NE2-NH2 3.49Å
662	P	80.9	Confident	94.5	Very high	47 Å²	47	23.5 Å²	23.5	31%	0.305	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	cis	-64.4	157.5	-12.6	31.3	-36	0	0	0	111.1	S659 H660 V664 R681	S659-P662 WeakPolarHBondContact CB-O 2.83Å; S659-P662 PolarHBondContact OG-O 2.95Å; H660-P662 CarbonylContact C-O 3.56Å; H660-P662 CarbonylContact O-C 3.5Å; H660-P662 VanDerWaalsContact O-C 3.3Å; P662-V664 PolarHBondContact O-N 3.12Å; P662-R681 HydrophobicContact CB-CG 4.07Å; P662-R681 HydrophobicContact CG-CG 4.25Å
663	P	86.6	Confident	94.5	Very high	4 Å²	4	24.4 Å²	24.4	3%	0.026	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	122.9	179	27.1	-33.1	0	0	0	109.8	F482 S659 H660 R681	F482-P663 HydrophobicContact CD1-CG 3.68Å; F482-P663 VanDerWaalsContact CE1-CD 3.49Å; F482-P663 HydrophobicContact CE1-CG 3.33Å; F482-P663 HydrophobicContact CG-CG 4.48Å; F482-P663 VanDerWaalsContact CZ-CD 3.45Å; F482-P663 HydrophobicContact CZ-CG 3.87Å; S659-P663 WeakPolarHBondContact O-CA 3.43Å; H660-P663 WeakPolarHBondContact O-CA 3.28Å; H660-P663 VanDerWaalsContact O-CD 3.32Å; H660-P663 WeakPolarHBondContact O-CD 3.45Å; P663-R681 WeakPolarHBondContact O-CA 3.35Å; P663-R681 WeakPolarHBondContact O-CG 3.29Å
664	V	93.3	Very high	94.5	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.012	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.9	172.5	-171.8	0	0	0	0	107.8	Q657 V658 S659 P662 D679 V680 R681	Q657-V664 PolarHBondContact NE2-O 2.96Å; V658-V664 HydrophobicContact CG2-CB 3.92Å; V658-V664 HydrophobicContact CG2-CG1 3.81Å; V658-V664 WeakPolarHBondContact CG2-O 3.5Å; V658-V664 PolarHBondContact N-O 3.38Å; V658-V664 VanDerWaalsContact N-O 3.17Å; S659-V664 PolarHBondContact N-O 3.18Å; S659-V664 VanDerWaalsContact N-O 3.14Å; S659-V664 PolarHBondContact O-N 2.82Å; P662-V664 PolarHBondContact O-N 3.12Å; V664-D679 HydrophobicContact CG1-CB 4.19Å; V664-V680 WeakPolarHBondContact CA-O 3.11Å; V664-R681 HydrophobicContact CG2-CB 4Å; V664-R681 HydrophobicContact CG2-CG 4.06Å
665	S	96.2	Very high	94.5	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.007	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	132.5	172.8	-50.7	0	0	0	0	107.5	M588 Q657 D679 V680	M588-S665 WeakPolarHBondContact SD-CB 3.36Å; Q657-S665 PolarHBondContact OE1-OG 2.89Å; S665-D679 WeakPolarHBondContact O-CA 3.49Å; S665-V680 PolarHBondContact N-O 2.93Å; S665-V680 VanDerWaalsContact N-O 3.07Å; S665-V680 PolarHBondContact O-N 2.82Å
666	A	97.9	Very high	94.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.4	177.1	0	0	0	0	0	110.3	S655 E656 V658 Q678 D679 F884 W896	S655-A666 CarbonylContact C-O 3.59Å; S655-A666 WeakPolarHBondContact CA-O 3.49Å; S655-A666 WeakPolarHBondContact CB-O 3.33Å; E656-A666 PolarHBondContact N-O 2.89Å; E656-A666 PolarHBondContact O-N 3.44Å; V658-A666 HydrophobicContact CG1-CB 3.73Å; V658-A666 HydrophobicContact CG2-CB 4Å; A666-Q678 WeakPolarHBondContact CA-O 3.41Å; A666-D679 HydrophobicContact CB-CB 4.07Å; A666-F884 HydrophobicContact CB-CD1 3.58Å; A666-F884 HydrophobicContact CB-CD2 4.27Å; A666-F884 HydrophobicContact CB-CE1 3.74Å; A666-F884 HydrophobicContact CB-CE2 4.39Å; A666-F884 HydrophobicContact CB-CG 3.88Å; A666-F884 HydrophobicContact CB-CZ 4.16Å; A666-F884 WeakPolarHBondContact O-CZ 3.36Å; A666-W896 HydrophobicContact CB-CB 3.89Å
667	C	98.6	Very high	94.5	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	155.3	174.9	80.5	0	0	0	0	112.7	M588 F653 F654 W677 Q678	M588-C667 HydrophobicContact CE-CB 3.91Å; F653-C667 HydrophobicContact CD2-CB 4.44Å; F653-C667 HydrophobicContact CE1-CB 4.39Å; F653-C667 HydrophobicContact CE2-CB 3.51Å; F653-C667 HydrophobicContact CZ-CB 3.47Å; F653-C667 VanDerWaalsContact CZ-CB 3.47Å; F654-C667 CarbonylContact O-C 3.49Å; F654-C667 WeakPolarHBondContact O-CA 3.01Å; C667-W677 VanDerWaalsContact O-CA 3.3Å; C667-W677 WeakPolarHBondContact O-CA 3.49Å; C667-W677 WeakPolarHBondContact O-CB 3.38Å; C667-Q678 PolarHBondContact N-O 2.93Å; C667-Q678 PolarHBondContact O-N 3.32Å; C667-Q678 VanDerWaalsContact O-N 3.11Å; C667-Q678 WeakPolarHBondContact SG-CG 3.44Å
668	H	98.8	Very high	94.5	Very high	16 Å²	16	27.8 Å²	27.8	7%	0.074	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	137.1	177.7	-175.1	94	0	0	0	109.2	F654 E670 F676 W677 F884	F654-H668 HydrophobicContact CD1-CB 4.4Å; F654-H668 HydrophobicContact CE1-CB 3.86Å; F654-H668 AromaticContact CE1-CD2 3.67Å; F654-H668 HydrophobicContact CE2-CB 4.43Å; F654-H668 HydrophobicContact CZ-CB 3.87Å; F654-H668 PolarHBondContact N-O 3.03Å; F654-H668 PolarHBondContact O-N 2.98Å; F654-H668 VanDerWaalsContact O-O 3.13Å; H668-E670 IonicContact CD2-OE1 3.74Å; H668-E670 IonicContact CE1-OE1 2.85Å; H668-E670 WeakPolarHBondContact NE2-CG 3.38Å; H668-E670 IonicContact NE2-OE1 2.66Å; H668-E670 PolarHBondContact NE2-OE1 2.73Å; H668-F676 CarbonylContact C-O 3.6Å; H668-W677 HydrophobicContact CB-CB 4.4Å; H668-F884 HydrophobicContact CB-CE1 4.06Å; H668-F884 HydrophobicContact CB-CZ 4.11Å
669	C	98.7	Very high	94.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	130.3	-174.2	-178.5	0	0	0	0	110.7	L592 F651 C652 F653 T675 F676	L592-C669 HydrophobicContact CD1-CB 3.92Å; L592-C669 WeakPolarHBondContact CD1-SG 3.46Å; F651-C669 VanDerWaalsContact CD2-SG 3.56Å; C652-C669 WeakPolarHBondContact O-CA 3.33Å; F653-C669 HydrophobicContact CB-CB 4.23Å; F653-C669 HydrophobicContact CD2-CB 4.05Å; C669-T675 CarbonylContact O-C 3.6Å; C669-T675 WeakPolarHBondContact O-CA 3.39Å; C669-T675 WeakPolarHBondContact O-CG2 3.43Å; C669-F676 HydrophobicContact CB-CB 4.22Å; C669-F676 HydrophobicContact CB-CD1 4.09Å; C669-F676 PolarHBondContact N-O 3.38Å; C669-F676 PolarHBondContact O-N 3.32Å
670	E	97.9	Very high	94.4	Very high	73 Å²	73	27.1 Å²	27.1	34%	0.341	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	125.8	-176.2	-67.9	174.6	163.2	0	0	110.2	F651 C652 H668 T675 W903	F651-E670 CarbonylContact C-O 3.32Å; F651-E670 WeakPolarHBondContact CA-O 3.15Å; C652-E670 PolarHBondContact N-O 3.37Å; C652-E670 PolarHBondContact O-N 3.02Å; H668-E670 IonicContact CD2-OE1 3.74Å; H668-E670 IonicContact CE1-OE1 2.85Å; H668-E670 WeakPolarHBondContact NE2-CG 3.38Å; H668-E670 IonicContact NE2-OE1 2.66Å; H668-E670 PolarHBondContact NE2-OE1 2.73Å; E670-T675 HydrophobicContact CG-CG2 4.11Å; E670-W903 VanDerWaalsContact OE2-CD1 3.3Å; E670-W903 PolarHBondContact OE2-NE1 3.23Å
671	S	98.2	Very high	94.6	Very high	21 Å²	21	31 Å²	31	15%	0.147	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	166.8	168.8	164.9	0	0	0	0	108.7	N673 F674	S671-N673 PolarHBondContact O-N 2.85Å; S671-N673 PolarHBondContact OG-N 3.32Å; S671-N673 VanDerWaalsContact OG-N 3.15Å; S671-F674 VanDerWaalsContact CB-CE1 3.43Å; S671-F674 PolarHBondContact N-O 2.95Å; S671-F674 WeakPolarHBondContact OG-CE1 3.36Å
672	K	97.4	Very high	94.7	Very high	201 Å²	201	31.5 Å²	31.5	87%	0.874	15%	0.148	S	C	*	.	S	Bend	trans	-60.6	-30.1	168	-63.5	176.9	-176.7	172	0	112.2
673	N	98	Very high	94.6	Very high	61 Å²	61	31.9 Å²	31.9	33%	0.326	15%	0.145	S	C	.	.	S	Bend	trans	-103	-23.5	-169.2	-69.5	-24.6	0	0	0	113.7	D599 A602 S671 P704	D599-N673 WeakPolarHBondContact OD1-CB 3.28Å; D599-N673 PolarHBondContact OD1-ND2 2.72Å; A602-N673 HydrophobicContact CB-CB 3.75Å; S671-N673 PolarHBondContact O-N 2.85Å; S671-N673 PolarHBondContact OG-N 3.32Å; S671-N673 VanDerWaalsContact OG-N 3.15Å; N673-P704 WeakPolarHBondContact O-CD 3.31Å
674	F	98.6	Very high	94.2	Very high	1 Å²	1	33 Å²	33	0%	0.004	15%	0.15	C	C	.	.			trans	-151.7	161.6	-174.7	65.2	-95.7	0	0	0	113.1	L592 L598 F651 S671 F676 L701 T702	L592-F674 HydrophobicContact CD2-CE2 4.37Å; L598-F674 HydrophobicContact CB-CD1 3.57Å; L598-F674 HydrophobicContact CB-CE1 3.78Å; L598-F674 HydrophobicContact CB-CG 3.99Å; L598-F674 HydrophobicContact CB-CZ 4.37Å; L598-F674 HydrophobicContact CD1-CD1 4.25Å; L598-F674 HydrophobicContact CD1-CD2 3.79Å; L598-F674 HydrophobicContact CD1-CE1 4.18Å; L598-F674 HydrophobicContact CD1-CE2 3.73Å; L598-F674 HydrophobicContact CD1-CG 4.07Å; L598-F674 HydrophobicContact CD1-CZ 3.93Å; F651-F674 HydrophobicContact CB-CZ 4.42Å; S671-F674 VanDerWaalsContact CB-CE1 3.43Å; S671-F674 PolarHBondContact N-O 2.95Å; S671-F674 WeakPolarHBondContact OG-CE1 3.36Å; F674-F676 HydrophobicContact CD2-CB 4.23Å; F674-F676 HydrophobicContact CE2-CB 4.33Å; F674-L701 HydrophobicContact CB-CD1 3.87Å; F674-L701 HydrophobicContact CD2-CD1 4.16Å; F674-L701 HydrophobicContact CG-CD1 4.28Å; F674-T702 WeakPolarHBondContact CA-O 3.45Å; F674-T702 WeakPolarHBondContact CB-O 3.45Å
675	T	98.7	Very high	93.2	Very high	32 Å²	32	33.6 Å²	33.6	20%	0.196	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.7	163.5	-44.2	0	0	0	0	109	C669 E670 W677 L701 T702	C669-T675 CarbonylContact O-C 3.6Å; C669-T675 WeakPolarHBondContact O-CA 3.39Å; C669-T675 WeakPolarHBondContact O-CG2 3.43Å; E670-T675 HydrophobicContact CG-CG2 4.11Å; T675-W677 HydrophobicContact CG2-CE3 4.27Å; T675-L701 CarbonylContact O-C 3.6Å; T675-L701 WeakPolarHBondContact O-CA 3.39Å; T675-T702 VanDerWaalsContact CB-OG1 3.29Å; T675-T702 WeakPolarHBondContact CB-OG1 3.33Å; T675-T702 PolarHBondContact N-O 3.09Å; T675-T702 VanDerWaalsContact N-O 3.07Å; T675-T702 PolarHBondContact O-N 3.35Å; T675-T702 PolarHBondContact O-OG1 2.78Å
676	F	98.8	Very high	92	Very high	1 Å²	1	35.8 Å²	35.8	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	129.4	-177.5	166.5	-89.6	0	0	0	109.7	L592 F617 H668 C669 F674 Q678 V699 N700 L701 W712	L592-F676 HydrophobicContact CD1-CD1 4.39Å; L592-F676 HydrophobicContact CD2-CD1 4.14Å; L592-F676 HydrophobicContact CD2-CG 4.29Å; L592-F676 HydrophobicContact CG-CD1 4.46Å; L592-F676 HydrophobicContact CG-CE1 4.48Å; F617-F676 HydrophobicContact CE1-CD2 4.01Å; F617-F676 AromaticContact CE1-CE2 3.76Å; F617-F676 HydrophobicContact CE1-CE2 3.76Å; F617-F676 HydrophobicContact CZ-CD2 4.24Å; F617-F676 HydrophobicContact CZ-CE2 4.04Å; H668-F676 CarbonylContact C-O 3.6Å; C669-F676 HydrophobicContact CB-CB 4.22Å; C669-F676 HydrophobicContact CB-CD1 4.09Å; C669-F676 PolarHBondContact N-O 3.38Å; C669-F676 PolarHBondContact O-N 3.32Å; F674-F676 HydrophobicContact CD2-CB 4.23Å; F674-F676 HydrophobicContact CE2-CB 4.33Å; F676-Q678 HydrophobicContact CE1-CG 4.37Å; F676-Q678 HydrophobicContact CZ-CG 4.35Å; F676-V699 HydrophobicContact CD2-CG1 4.15Å; F676-V699 HydrophobicContact CE2-CG1 3.34Å; F676-V699 HydrophobicContact CZ-CG1 3.9Å; F676-N700 WeakPolarHBondContact CA-O 3.4Å; F676-L701 HydrophobicContact CB-CD1 4.47Å; F676-W712 HydrophobicContact CE2-CH2 4.42Å; F676-W712 HydrophobicContact CE2-CZ2 4.42Å
677	W	98.4	Very high	90.6	Very high	42 Å²	42	42.7 Å²	42.7	16%	0.159	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	153.6	176.9	74.7	97.4	0	0	0	112.6	C667 H668 T675 N700 T702 H709	C667-W677 VanDerWaalsContact O-CA 3.3Å; C667-W677 WeakPolarHBondContact O-CA 3.49Å; C667-W677 WeakPolarHBondContact O-CB 3.38Å; H668-W677 HydrophobicContact CB-CB 4.4Å; T675-W677 HydrophobicContact CG2-CE3 4.27Å; W677-N700 HydrophobicContact CD2-CB 3.54Å; W677-N700 HydrophobicContact CE3-CB 3.88Å; W677-N700 HydrophobicContact CG-CB 4.12Å; W677-N700 HydrophobicContact CH2-CB 3.79Å; W677-N700 HydrophobicContact CZ2-CB 3.44Å; W677-N700 VanDerWaalsContact CZ2-CB 3.44Å; W677-N700 HydrophobicContact CZ3-CB 3.99Å; W677-N700 PolarHBondContact N-O 3.3Å; W677-N700 WeakPolarHBondContact O-CB 3.38Å; W677-N700 PolarHBondContact O-N 2.88Å; W677-N700 PolarHBondContact O-ND2 2.77Å; W677-T702 HydrophobicContact CH2-CG2 3.88Å; W677-T702 HydrophobicContact CZ3-CG2 3.9Å; W677-H709 AromaticContact CH2-CE1 3.91Å; W677-H709 AromaticContact CH2-NE2 3.61Å; W677-H709 AromaticContact CZ2-CE1 3.93Å; W677-H709 AromaticContact CZ2-NE2 3.72Å
678	Q	97.1	Very high	89.2	Confident	1 Å²	1	44.4 Å²	44.4	1%	0.005	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	149.4	178.4	50.6	174.2	-20.7	0	0	110.9	M588 E591 A666 C667 F676 V680 V699	M588-Q678 HydrophobicContact CE-CG 3.71Å; E591-Q678 PolarHBondContact OE2-NE2 2.89Å; A666-Q678 WeakPolarHBondContact CA-O 3.41Å; C667-Q678 PolarHBondContact N-O 2.93Å; C667-Q678 PolarHBondContact O-N 3.32Å; C667-Q678 VanDerWaalsContact O-N 3.11Å; C667-Q678 WeakPolarHBondContact SG-CG 3.44Å; F676-Q678 HydrophobicContact CE1-CG 4.37Å; F676-Q678 HydrophobicContact CZ-CG 4.35Å; Q678-V680 HydrophobicContact CB-CG2 4.34Å; Q678-V680 HydrophobicContact CG-CG2 4.34Å; Q678-V680 VanDerWaalsContact OE1-CG2 3.24Å; Q678-V699 HydrophobicContact CB-CG1 4.43Å
679	D	93.3	Very high	87.9	Confident	13 Å²	13	49 Å²	49	7%	0.07	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	129.5	159.5	72.5	-84.3	0	0	0	109.5	V664 S665 A666 G697 R895 W896	V664-D679 HydrophobicContact CG1-CB 4.19Å; S665-D679 WeakPolarHBondContact O-CA 3.49Å; A666-D679 HydrophobicContact CB-CB 4.07Å; D679-G697 WeakPolarHBondContact O-CA 3.28Å; D679-R895 WeakPolarHBondContact OD1-CA 3.44Å; D679-R895 WeakPolarHBondContact OD1-CB 3.46Å; D679-W896 HydrophobicContact CB-CB 3.84Å; D679-W896 HydrophobicContact CB-CG 4.36Å; D679-W896 VanDerWaalsContact CG-N 3.33Å; D679-W896 PolarHBondContact OD1-N 2.97Å
680	V	91.1	Very high	86.9	Confident	3 Å²	3	49.8 Å²	49.8	2%	0.018	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	122.1	-172.8	-171.7	0	0	0	0	110	M588 V664 S665 Q678 W682 P695	M588-V680 HydrophobicContact CE-CG2 4.1Å; V664-V680 WeakPolarHBondContact CA-O 3.11Å; S665-V680 PolarHBondContact N-O 2.93Å; S665-V680 VanDerWaalsContact N-O 3.07Å; S665-V680 PolarHBondContact O-N 2.82Å; Q678-V680 HydrophobicContact CB-CG2 4.34Å; Q678-V680 HydrophobicContact CG-CG2 4.34Å; Q678-V680 VanDerWaalsContact OE1-CG2 3.24Å; V680-W682 HydrophobicContact CB-CZ2 4.27Å; V680-W682 HydrophobicContact CG1-CD2 3.84Å; V680-W682 VanDerWaalsContact CG1-CE2 3.47Å; V680-W682 HydrophobicContact CG1-CE3 4.25Å; V680-W682 HydrophobicContact CG1-CG 4.39Å; V680-W682 HydrophobicContact CG1-CH2 4.11Å; V680-W682 HydrophobicContact CG1-CZ2 3.64Å; V680-W682 HydrophobicContact CG1-CZ3 4.39Å; V680-P695 HydrophobicContact CG1-CB 3.92Å
681	R	89.6	Confident	86	Confident	87 Å²	87	48.3 Å²	48.3	33%	0.328	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.5	170.4	-173.9	-175	-56.8	-169.5	4.3	109.2	P662 P663 V664 I696	P662-R681 HydrophobicContact CB-CG 4.07Å; P662-R681 HydrophobicContact CG-CG 4.25Å; P663-R681 WeakPolarHBondContact O-CA 3.35Å; P663-R681 WeakPolarHBondContact O-CG 3.29Å; V664-R681 HydrophobicContact CG2-CB 4Å; V664-R681 HydrophobicContact CG2-CG 4.06Å; R681-I696 HydrophobicContact CB-CB 4.24Å; R681-I696 WeakPolarHBondContact CB-O 3.42Å; R681-I696 PolarHBondContact N-O 3.2Å; R681-I696 PolarHBondContact O-N 2.94Å
682	W	80.1	Confident	85.3	Confident	55 Å²	55	48.2 Å²	48.2	21%	0.208	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	118.6	-176.8	-57.9	96.2	0	0	0	110.7	T584 V680 I693 P695	T584-W682 HydrophobicContact CG2-CZ2 4.46Å; T584-W682 VanDerWaalsContact CG2-NE1 3.35Å; V680-W682 HydrophobicContact CB-CZ2 4.27Å; V680-W682 HydrophobicContact CG1-CD2 3.84Å; V680-W682 VanDerWaalsContact CG1-CE2 3.47Å; V680-W682 HydrophobicContact CG1-CE3 4.25Å; V680-W682 HydrophobicContact CG1-CG 4.39Å; V680-W682 HydrophobicContact CG1-CH2 4.11Å; V680-W682 HydrophobicContact CG1-CZ2 3.64Å; V680-W682 HydrophobicContact CG1-CZ3 4.39Å; W682-I693 HydrophobicContact CE3-CG2 3.68Å; W682-I693 HydrophobicContact CZ3-CG2 4.22Å; W682-P695 HydrophobicContact CE3-CB 4Å; W682-P695 HydrophobicContact CH2-CB 4.45Å; W682-P695 HydrophobicContact CZ3-CB 3.79Å; W682-P695 HydrophobicContact CZ3-CG 4.39Å
683	K	80.3	Confident	84.8	Confident	55 Å²	55	40.2 Å²	40.2	24%	0.239	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	99.7	-177.3	-173.2	177.8	-174.3	91	0	110.8	V478 E480 L694 I696	V478-K683 VanDerWaalsContact CG2-CE 3.48Å; E480-K683 HydrophobicContact CG-CG 4.03Å; E480-K683 WeakPolarHBondContact OE1-CE 3.33Å; E480-K683 WeakPolarHBondContact OE1-CG 3.4Å; E480-K683 IonicContact OE1-NZ 2.68Å; E480-K683 PolarHBondContact OE1-NZ 3.26Å; K683-L694 HydrophobicContact CB-CB 4.28Å; K683-L694 WeakPolarHBondContact CB-O 3.26Å; K683-L694 PolarHBondContact N-O 3.13Å; K683-L694 WeakPolarHBondContact O-CB 3.06Å; K683-L694 WeakPolarHBondContact O-CD1 3.2Å; K683-L694 PolarHBondContact O-N 2.85Å; K683-I696 HydrophobicContact CB-CD1 3.94Å; K683-I696 HydrophobicContact CD-CD1 3.63Å; K683-I696 HydrophobicContact CG-CD1 4.44Å
684	N	77.3	Confident	84.3	Confident	26 Å²	26	38.5 Å²	38.5	14%	0.139	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	150.1	-178.2	-59.1	-29.1	0	0	0	111.4	S479 E480 F481 M691 E692	S479-N684 CarbonylContact C-O 3.45Å; S479-N684 VanDerWaalsContact O-O 3.14Å; E480-N684 WeakPolarHBondContact CA-O 3.27Å; F481-N684 HydrophobicContact CB-CB 4.4Å; F481-N684 PolarHBondContact O-ND2 3.1Å; N684-M691 HydrophobicContact CB-SD 4.31Å; N684-E692 CarbonylContact C-O 3.47Å; N684-E692 WeakPolarHBondContact CA-O 3.31Å
685	K	73.3	Confident	83.9	Confident	16 Å²	16	39.5 Å²	39.5	7%	0.07	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	127.8	166.3	-54.9	-173.5	-144	125.9	0	110.4	W687 M691 E692 L694	K685-W687 HydrophobicContact CD-CZ2 4.19Å; K685-M691 CarbonylContact O-C 3.5Å; K685-M691 VanDerWaalsContact O-CA 3.28Å; K685-M691 WeakPolarHBondContact O-CA 3.48Å; K685-E692 HydrophobicContact CB-CB 4.38Å; K685-E692 PolarHBondContact N-O 3.49Å; K685-E692 IonicContact NZ-OE2 2.65Å; K685-E692 PolarHBondContact NZ-OE2 3.19Å; K685-E692 PolarHBondContact O-N 3.33Å; K685-L694 HydrophobicContact CD-CD1 4.21Å; K685-L694 HydrophobicContact CG-CD1 4.04Å
686	F	70.3	Confident	83.4	Confident	46 Å²	46	41.9 Å²	41.9	20%	0.202	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	128.9	176.4	-175.3	-118.4	0	0	0	112.5	F481 L561 G688 S690 M691 L723	F481-F686 HydrophobicContact CD2-CB 4.17Å; F481-F686 HydrophobicContact CE2-CB 3.41Å; F481-F686 VanDerWaalsContact CE2-CB 3.41Å; F481-F686 HydrophobicContact CE2-CG 4.21Å; F481-F686 HydrophobicContact CZ-CB 3.83Å; F481-F686 HydrophobicContact CZ-CD1 4.18Å; F481-F686 HydrophobicContact CZ-CG 4.12Å; L561-F686 HydrophobicContact CD1-CE1 3.75Å; L561-F686 HydrophobicContact CD1-CZ 3.76Å; F686-G688 WeakPolarHBondContact CZ-O 3.45Å; F686-S690 WeakPolarHBondContact CD2-O 3.47Å; F686-M691 HydrophobicContact CD2-CB 4.45Å; F686-L723 HydrophobicContact CZ-CD1 4.1Å; F686-L723 HydrophobicContact CZ-CD2 4.19Å; F686-L723 HydrophobicContact CZ-CG 4.19Å
687	W	68.8	Low	82.9	Confident	145 Å²	145	43.5 Å²	43.5	55%	0.549	21%	0.214	S	C	.	.			trans	-113.9	26.7	-177	-62.6	99.1	0	0	0	112.7	K685 K689 S690 E692	K685-W687 HydrophobicContact CD-CZ2 4.19Å; W687-K689 VanDerWaalsContact C-N 3.26Å; W687-K689 PolarHBondContact O-N 3.35Å; W687-S690 PolarHBondContact N-O 3.4Å; W687-E692 PolarHBondContact NE1-OE2 3.4Å
688	G	69	Low	82.5	Confident	38 Å²	38	42.4 Å²	42.4	39%	0.392	21%	0.213	S	C	.	.	S	Bend	trans	81.8	-50.6	174.8	0	0	0	0	0	114.8	F686 L723	F686-G688 WeakPolarHBondContact CZ-O 3.45Å; G688-L723 WeakPolarHBondContact O-CD1 3.38Å
689	K	70.5	Confident	82.5	Confident	112 Å²	112	42.5 Å²	42.5	49%	0.487	21%	0.213	S	C	.	.	S	Bend	trans	-100.2	-29.6	171	-73.2	-171.1	177	-174.3	0	113.5	E139 W687 N721 I722	E139-K689 IonicContact OE1-NZ 3.7Å; E139-K689 PolarHBondContact OE1-NZ 3.31Å; W687-K689 VanDerWaalsContact C-N 3.26Å; W687-K689 PolarHBondContact O-N 3.35Å; K689-N721 PolarHBondContact O-N 2.92Å; K689-I722 PolarHBondContact O-N 3.36Å
690	S	77.7	Confident	82.8	Confident	16 Å²	16	41.9 Å²	41.9	11%	0.112	21%	0.21	C	C	.	.			trans	-131.9	162.9	-172.3	-50.4	0	0	0	0	111.6	F686 W687 V719 H720	F686-S690 WeakPolarHBondContact CD2-O 3.47Å; W687-S690 PolarHBondContact N-O 3.4Å; S690-V719 CarbonylContact C-O 3.6Å; S690-V719 WeakPolarHBondContact CA-O 3.33Å; S690-V719 VanDerWaalsContact CB-O 3.31Å; S690-V719 WeakPolarHBondContact CB-O 3.33Å; S690-H720 WeakPolarHBondContact OG-CA 3.11Å; S690-H720 PolarHBondContact OG-ND1 2.91Å
691	M	79	Confident	83.1	Confident	42 Å²	42	41.8 Å²	41.8	21%	0.207	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.9	173.8	179.5	175.6	62.9	0	0	109.6	N684 K685 F686 I693 C718 V719 I722	N684-M691 HydrophobicContact CB-SD 4.31Å; K685-M691 CarbonylContact O-C 3.5Å; K685-M691 VanDerWaalsContact O-CA 3.28Å; K685-M691 WeakPolarHBondContact O-CA 3.48Å; F686-M691 HydrophobicContact CD2-CB 4.45Å; M691-I693 HydrophobicContact CE-CD1 4.12Å; M691-I693 HydrophobicContact CE-CG1 4.14Å; M691-I693 HydrophobicContact CG-CG1 4.48Å; M691-C718 CarbonylContact O-C 3.48Å; M691-C718 WeakPolarHBondContact O-CA 3.36Å; M691-V719 PolarHBondContact N-O 2.8Å; M691-V719 PolarHBondContact O-N 2.86Å; M691-I722 HydrophobicContact CB-CD1 3.26Å; M691-I722 HydrophobicContact CE-CD1 4.48Å
692	E	85	Confident	83.5	Confident	19 Å²	19	39.1 Å²	39.1	9%	0.089	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	139.3	164.7	-65.9	177.8	150.9	0	0	109.4	N684 K685 W687 L694 T716 T717 Y732	N684-E692 CarbonylContact C-O 3.47Å; N684-E692 WeakPolarHBondContact CA-O 3.31Å; K685-E692 HydrophobicContact CB-CB 4.38Å; K685-E692 PolarHBondContact N-O 3.49Å; K685-E692 IonicContact NZ-OE2 2.65Å; K685-E692 PolarHBondContact NZ-OE2 3.19Å; K685-E692 PolarHBondContact O-N 3.33Å; W687-E692 PolarHBondContact NE1-OE2 3.4Å; E692-L694 HydrophobicContact CB-CD1 3.67Å; E692-T716 HydrophobicContact CB-CG2 4.06Å; E692-T716 HydrophobicContact CG-CG2 4.22Å; E692-T717 CarbonylContact C-O 3.41Å; E692-T717 WeakPolarHBondContact CA-O 3.01Å; E692-Y732 WeakPolarHBondContact CG-OH 3.17Å; E692-Y732 PolarHBondContact OE1-OH 3.32Å
693	I	85.4	Confident	84.4	Confident	33 Å²	33	36.5 Å²	36.5	17%	0.169	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	111.8	171.1	-56.6	171.7	0	0	0	105.4	W682 M691 P695 T717 V719	W682-I693 HydrophobicContact CE3-CG2 3.68Å; W682-I693 HydrophobicContact CZ3-CG2 4.22Å; M691-I693 HydrophobicContact CE-CD1 4.12Å; M691-I693 HydrophobicContact CE-CG1 4.14Å; M691-I693 HydrophobicContact CG-CG1 4.48Å; I693-P695 VanDerWaalsContact O-CD 3.3Å; I693-P695 WeakPolarHBondContact O-CD 3.45Å; I693-T717 HydrophobicContact CD1-CG2 4.47Å; I693-T717 PolarHBondContact N-O 3.16Å; I693-T717 PolarHBondContact O-N 3.11Å; I693-V719 HydrophobicContact CD1-CG2 4.28Å
694	L	87.9	Confident	85.2	Confident	26 Å²	26	37.8 Å²	37.8	14%	0.136	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	104.2	-179.2	-66	86.7	0	0	0	108.8	K683 K685 E692 I696 T716	K683-L694 HydrophobicContact CB-CB 4.28Å; K683-L694 WeakPolarHBondContact CB-O 3.26Å; K683-L694 PolarHBondContact N-O 3.13Å; K683-L694 WeakPolarHBondContact O-CB 3.06Å; K683-L694 WeakPolarHBondContact O-CD1 3.2Å; K683-L694 PolarHBondContact O-N 2.85Å; K685-L694 HydrophobicContact CD-CD1 4.21Å; K685-L694 HydrophobicContact CG-CD1 4.04Å; E692-L694 HydrophobicContact CB-CD1 3.67Å; L694-I696 PolarHBondContact O-N 2.96Å; L694-T716 HydrophobicContact CD1-CG2 4.43Å; L694-T716 HydrophobicContact CG-CG2 4.12Å
695	P	89.6	Confident	86.2	Confident	21 Å²	21	43.1 Å²	43.1	14%	0.136	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	127.8	170.5	27.1	-32	0	0	0	110.3	V680 W682 I693 K714 V715	V680-P695 HydrophobicContact CG1-CB 3.92Å; W682-P695 HydrophobicContact CE3-CB 4Å; W682-P695 HydrophobicContact CH2-CB 4.45Å; W682-P695 HydrophobicContact CZ3-CB 3.79Å; W682-P695 HydrophobicContact CZ3-CG 4.39Å; I693-P695 VanDerWaalsContact O-CD 3.3Å; I693-P695 WeakPolarHBondContact O-CD 3.45Å; P695-K714 HydrophobicContact CB-CB 3.89Å; P695-K714 HydrophobicContact CB-CD 4.24Å; P695-K714 HydrophobicContact CG-CB 3.4Å; P695-K714 VanDerWaalsContact CG-CB 3.4Å; P695-K714 HydrophobicContact CG-CD 4.47Å; P695-V715 VanDerWaalsContact CD-O 3.22Å; P695-V715 WeakPolarHBondContact CD-O 3.47Å; P695-V715 WeakPolarHBondContact CG-O 3.42Å
696	I	89.4	Confident	87.2	Confident	83 Å²	83	45.2 Å²	45.2	43%	0.426	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	113.4	175	-60.9	174.1	0	0	0	107.6	R681 K683 L694	R681-I696 HydrophobicContact CB-CB 4.24Å; R681-I696 WeakPolarHBondContact CB-O 3.42Å; R681-I696 PolarHBondContact N-O 3.2Å; R681-I696 PolarHBondContact O-N 2.94Å; K683-I696 HydrophobicContact CB-CD1 3.94Å; K683-I696 HydrophobicContact CD-CD1 3.63Å; K683-I696 HydrophobicContact CG-CD1 4.44Å; L694-I696 PolarHBondContact O-N 2.96Å
697	G	87.4	Confident	88.4	Confident	34 Å²	34	45.3 Å²	45.3	35%	0.351	25%	0.248	S	C	.	.	S	Bend	trans	161.1	169.8	-175.5	0	0	0	0	0	110.9	D679	D679-G697 WeakPolarHBondContact O-CA 3.28Å
698	S	91.1	Very high	89.8	Confident	20 Å²	20	38.9 Å²	38.9	14%	0.14	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.8	172.8	-73.2	0	0	0	0	109.5	N700 E711	S698-N700 PolarHBondContact O-ND2 2.99Å; S698-E711 WeakPolarHBondContact CB-OE1 3.35Å; S698-E711 PolarHBondContact OG-OE1 3.41Å
699	V	97.3	Very high	91.2	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	136.2	169.5	-166	0	0	0	0	108.7	F676 Q678 E711 W712 K714	F676-V699 HydrophobicContact CD2-CG1 4.15Å; F676-V699 HydrophobicContact CE2-CG1 3.34Å; F676-V699 HydrophobicContact CZ-CG1 3.9Å; Q678-V699 HydrophobicContact CB-CG1 4.43Å; V699-E711 WeakPolarHBondContact O-CA 3.28Å; V699-W712 HydrophobicContact CB-CD2 3.84Å; V699-W712 HydrophobicContact CB-CE3 4.36Å; V699-W712 HydrophobicContact CB-CG 4.2Å; V699-W712 HydrophobicContact CB-CH2 4.49Å; V699-W712 HydrophobicContact CB-CZ2 3.97Å; V699-W712 HydrophobicContact CG1-CD2 4.2Å; V699-W712 HydrophobicContact CG1-CH2 3.81Å; V699-W712 HydrophobicContact CG1-CZ2 3.41Å; V699-W712 VanDerWaalsContact CG1-CZ2 3.41Å; V699-W712 HydrophobicContact CG1-CZ3 4.33Å; V699-W712 PolarHBondContact N-O 3.31Å; V699-W712 PolarHBondContact O-N 2.92Å; V699-K714 HydrophobicContact CG2-CD 4.31Å; V699-K714 HydrophobicContact CG2-CG 4.04Å
700	N	97.8	Very high	92.5	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.9	-176.4	-59.4	-104.4	0	0	0	110.2	F676 W677 S698 H709 Y710	F676-N700 WeakPolarHBondContact CA-O 3.4Å; W677-N700 HydrophobicContact CD2-CB 3.54Å; W677-N700 HydrophobicContact CE3-CB 3.88Å; W677-N700 HydrophobicContact CG-CB 4.12Å; W677-N700 HydrophobicContact CH2-CB 3.79Å; W677-N700 HydrophobicContact CZ2-CB 3.44Å; W677-N700 VanDerWaalsContact CZ2-CB 3.44Å; W677-N700 HydrophobicContact CZ3-CB 3.99Å; W677-N700 PolarHBondContact N-O 3.3Å; W677-N700 WeakPolarHBondContact O-CB 3.38Å; W677-N700 PolarHBondContact O-N 2.88Å; W677-N700 PolarHBondContact O-ND2 2.77Å; S698-N700 PolarHBondContact O-ND2 2.99Å; N700-H709 PolarHBondContact OD1-NE2 2.83Å; N700-Y710 WeakPolarHBondContact CA-O 3.47Å
701	L	98.6	Very high	93.4	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	129.3	176.4	172.8	72.2	0	0	0	109.2	L598 V614 F674 T675 F676 I703 H709 Y710 W712	L598-L701 HydrophobicContact CD1-CD1 3.83Å; L598-L701 HydrophobicContact CD2-CD1 4.05Å; L598-L701 HydrophobicContact CD2-CD2 3.61Å; L598-L701 HydrophobicContact CD2-CG 4.5Å; L598-L701 HydrophobicContact CG-CD1 4.44Å; V614-L701 HydrophobicContact CG1-CD2 3.95Å; V614-L701 HydrophobicContact CG2-CD2 3.74Å; F674-L701 HydrophobicContact CB-CD1 3.87Å; F674-L701 HydrophobicContact CD2-CD1 4.16Å; F674-L701 HydrophobicContact CG-CD1 4.28Å; T675-L701 CarbonylContact O-C 3.6Å; T675-L701 WeakPolarHBondContact O-CA 3.39Å; F676-L701 HydrophobicContact CB-CD1 4.47Å; L701-I703 HydrophobicContact CD2-CD1 4.36Å; L701-I703 HydrophobicContact CD2-CG1 4.37Å; L701-I703 HydrophobicContact CG-CG1 4.33Å; L701-H709 CarbonylContact O-C 3.59Å; L701-H709 VanDerWaalsContact O-CA 3.31Å; L701-H709 WeakPolarHBondContact O-CA 2.99Å; L701-Y710 HydrophobicContact CD2-CD2 4.08Å; L701-Y710 PolarHBondContact N-O 2.88Å; L701-Y710 PolarHBondContact O-N 2.83Å; L701-W712 HydrophobicContact CB-CH2 4.07Å; L701-W712 HydrophobicContact CB-CZ3 3.69Å; L701-W712 HydrophobicContact CD2-CZ3 4.37Å
702	T	98.5	Very high	94.3	Very high	31 Å²	31	32.5 Å²	32.5	19%	0.19	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	142.8	163.9	47.1	0	0	0	0	111.1	F674 T675 W677 D708 H709	F674-T702 WeakPolarHBondContact CA-O 3.45Å; F674-T702 WeakPolarHBondContact CB-O 3.45Å; T675-T702 VanDerWaalsContact CB-OG1 3.29Å; T675-T702 WeakPolarHBondContact CB-OG1 3.33Å; T675-T702 PolarHBondContact N-O 3.09Å; T675-T702 VanDerWaalsContact N-O 3.07Å; T675-T702 PolarHBondContact O-N 3.35Å; T675-T702 PolarHBondContact O-OG1 2.78Å; W677-T702 HydrophobicContact CH2-CG2 3.88Å; W677-T702 HydrophobicContact CZ3-CG2 3.9Å; T702-D708 VanDerWaalsContact CA-O 3.26Å; T702-D708 WeakPolarHBondContact CA-O 3.25Å; T702-H709 HydrophobicContact CG2-CB 3.88Å
703	I	98.4	Very high	94.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	92.2	170.1	-59.1	-174.8	0	0	0	107.1	A601 A602 V614 L701 R705 F706 G707 D708 Y710	A601-I703 HydrophobicContact CB-CD1 3.72Å; A602-I703 HydrophobicContact CB-CG2 3.79Å; V614-I703 HydrophobicContact CG2-CD1 4.46Å; L701-I703 HydrophobicContact CD2-CD1 4.36Å; L701-I703 HydrophobicContact CD2-CG1 4.37Å; L701-I703 HydrophobicContact CG-CG1 4.33Å; I703-R705 VanDerWaalsContact C-N 3.28Å; I703-R705 PolarHBondContact O-N 3.42Å; I703-R705 VanDerWaalsContact O-N 3.16Å; I703-F706 HydrophobicContact CG2-CD2 3.98Å; I703-F706 PolarHBondContact O-N 2.8Å; I703-G707 PolarHBondContact O-N 3.26Å; I703-D708 HydrophobicContact CB-CB 4.43Å; I703-D708 PolarHBondContact N-O 3.07Å; I703-D708 PolarHBondContact O-N 2.91Å; I703-Y710 HydrophobicContact CD1-CE2 3.97Å; I703-Y710 HydrophobicContact CG1-CE2 4.35Å
704	P	97.3	Very high	95.3	Very high	82 Å²	82	33.9 Å²	33.9	53%	0.532	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-59.3	-31.1	-167.6	-28.7	37.2	0	0	0	115.2	N673 F706 G707	N673-P704 WeakPolarHBondContact O-CD 3.31Å; P704-F706 PolarHBondContact O-N 2.88Å; P704-G707 PolarHBondContact O-N 3.18Å; P704-G707 VanDerWaalsContact O-N 3.15Å
705	R	97	Very high	95.8	Very high	139 Å²	139	33 Å²	33	53%	0.525	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-54.3	-36.4	179.8	-175.5	-174.2	173.3	-159.5	-6.9	113.1	A602 E603 E605 I703	A602-R705 WeakPolarHBondContact O-CD 3.25Å; A602-R705 PolarHBondContact O-NH1 2.8Å; E603-R705 VanDerWaalsContact C-NH1 3.32Å; E603-R705 VanDerWaalsContact CA-NH1 3.32Å; E603-R705 PolarHBondContact O-NH1 2.94Å; E605-R705 IonicContact OE1-NH2 3.07Å; E605-R705 PolarHBondContact OE1-NH2 3.04Å; E605-R705 VanDerWaalsContact OE1-NH2 3.07Å; I703-R705 VanDerWaalsContact C-N 3.28Å; I703-R705 PolarHBondContact O-N 3.42Å; I703-R705 VanDerWaalsContact O-N 3.16Å
706	F	95.6	Very high	96	Very high	59 Å²	59	33.1 Å²	33.1	26%	0.259	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-107.8	-2.8	-178.4	-57.7	-68.3	0	0	0	113.1	A602 T604 E605 I703 P704 D708	A602-F706 WeakPolarHBondContact O-CE2 3.49Å; T604-F706 VanDerWaalsContact O-CE2 3.26Å; T604-F706 WeakPolarHBondContact O-CE2 3.19Å; T604-F706 WeakPolarHBondContact O-CZ 3.45Å; E605-F706 HydrophobicContact CG-CZ 4.41Å; I703-F706 HydrophobicContact CG2-CD2 3.98Å; I703-F706 PolarHBondContact O-N 2.8Å; P704-F706 PolarHBondContact O-N 2.88Å; F706-D708 WeakPolarHBondContact CB-OD2 3.43Å; F706-D708 PolarHBondContact O-N 2.82Å
707	G	95.6	Very high	96.2	Very high	48 Å²	48	29.8 Å²	29.8	50%	0.495	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.8	12	-173	0	0	0	0	0	114.4	I703 P704 K741	I703-G707 PolarHBondContact O-N 3.26Å; P704-G707 PolarHBondContact O-N 3.18Å; P704-G707 VanDerWaalsContact O-N 3.15Å; G707-K741 WeakPolarHBondContact O-CG 3.33Å
708	D	97.3	Very high	96.3	Very high	11 Å²	11	28.3 Å²	28.3	6%	0.059	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	142.2	-175.6	-70.2	-34.6	0	0	0	111.9	R610 T702 I703 F706 Y710 N739	R610-D708 IonicContact CZ-OD2 3.22Å; R610-D708 VanDerWaalsContact CZ-OD2 3.22Å; R610-D708 IonicContact NE-OD2 3.36Å; R610-D708 PolarHBondContact NE-OD2 2.82Å; R610-D708 IonicContact NH2-OD1 3.99Å; R610-D708 IonicContact NH2-OD2 2.77Å; R610-D708 PolarHBondContact NH2-OD2 3.4Å; T702-D708 VanDerWaalsContact CA-O 3.26Å; T702-D708 WeakPolarHBondContact CA-O 3.25Å; I703-D708 HydrophobicContact CB-CB 4.43Å; I703-D708 PolarHBondContact N-O 3.07Å; I703-D708 PolarHBondContact O-N 2.91Å; F706-D708 WeakPolarHBondContact CB-OD2 3.43Å; F706-D708 PolarHBondContact O-N 2.82Å; D708-Y710 HydrophobicContact CB-CD2 4.22Å; D708-Y710 HydrophobicContact CB-CE2 3.58Å; D708-Y710 PolarHBondContact OD2-OH 2.77Å; D708-N739 PolarHBondContact OD1-ND2 2.82Å
709	H	97.9	Very high	96.1	Very high	29 Å²	29	28.3 Å²	28.3	13%	0.134	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	98.5	170.7	176.6	-173.6	0	0	0	109.2	W677 N700 L701 T702 N739 T740 K741	W677-H709 AromaticContact CH2-CE1 3.91Å; W677-H709 AromaticContact CH2-NE2 3.61Å; W677-H709 AromaticContact CZ2-CE1 3.93Å; W677-H709 AromaticContact CZ2-NE2 3.72Å; N700-H709 PolarHBondContact OD1-NE2 2.83Å; L701-H709 CarbonylContact O-C 3.59Å; L701-H709 VanDerWaalsContact O-CA 3.31Å; L701-H709 WeakPolarHBondContact O-CA 2.99Å; T702-H709 HydrophobicContact CG2-CB 3.88Å; H709-N739 PolarHBondContact N-OD1 3.23Å; H709-N739 CarbonylContact O-C 3.54Å; H709-N739 WeakPolarHBondContact O-CA 3.34Å; H709-N739 PolarHBondContact O-OD1 3.13Å; H709-T740 WeakPolarHBondContact CB-OG1 3.17Å; H709-T740 PolarHBondContact ND1-OG1 3.12Å; H709-T740 PolarHBondContact O-N 3.1Å; H709-T740 PolarHBondContact O-OG1 3.22Å; H709-T740 VanDerWaalsContact O-OG1 3.06Å; H709-K741 HydrophobicContact CB-CG 3.98Å
710	Y	98.3	Very high	95.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	137.2	176.4	-57.3	-91.7	0	0	0	111.3	M611 V614 N700 L701 I703 D708 I737 R738 N739	M611-Y710 HydrophobicContact CE-CD1 3.94Å; M611-Y710 HydrophobicContact CE-CE1 3.74Å; M611-Y710 HydrophobicContact SD-CD1 4.04Å; M611-Y710 HydrophobicContact SD-CE1 3.92Å; V614-Y710 HydrophobicContact CG1-CD1 4.42Å; V614-Y710 HydrophobicContact CG1-CG 4.25Å; V614-Y710 HydrophobicContact CG2-CD2 4.22Å; V614-Y710 HydrophobicContact CG2-CE2 4.12Å; V614-Y710 HydrophobicContact CG2-CG 4.49Å; N700-Y710 WeakPolarHBondContact CA-O 3.47Å; L701-Y710 HydrophobicContact CD2-CD2 4.08Å; L701-Y710 PolarHBondContact N-O 2.88Å; L701-Y710 PolarHBondContact O-N 2.83Å; I703-Y710 HydrophobicContact CD1-CE2 3.97Å; I703-Y710 HydrophobicContact CG1-CE2 4.35Å; D708-Y710 HydrophobicContact CB-CD2 4.22Å; D708-Y710 HydrophobicContact CB-CE2 3.58Å; D708-Y710 PolarHBondContact OD2-OH 2.77Å; Y710-I737 HydrophobicContact CD1-CG2 4.26Å; Y710-R738 CarbonylContact C-O 3.59Å; Y710-R738 VanDerWaalsContact CA-O 3.25Å; Y710-R738 WeakPolarHBondContact CA-O 3.21Å; Y710-N739 HydrophobicContact CD1-CB 4.19Å; Y710-N739 HydrophobicContact CE1-CB 4.2Å
711	E	97.2	Very high	94.7	Very high	33 Å²	33	32.6 Å²	32.6	15%	0.154	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	135.7	171.5	-166.4	-176.2	135.7	0	0	109.5	S698 V699 R738 T740 R895	S698-E711 WeakPolarHBondContact CB-OE1 3.35Å; S698-E711 PolarHBondContact OG-OE1 3.41Å; V699-E711 WeakPolarHBondContact O-CA 3.28Å; E711-R738 PolarHBondContact N-O 3.06Å; E711-R738 PolarHBondContact O-N 3.43Å; E711-R738 VanDerWaalsContact O-N 3.09Å; E711-T740 HydrophobicContact CB-CG2 4.06Å; E711-R895 IonicContact OE1-NH1 2.77Å; E711-R895 IonicContact OE2-CZ 2.66Å; E711-R895 IonicContact OE2-NH1 3.24Å; E711-R895 PolarHBondContact OE2-NH1 3.35Å; E711-R895 IonicContact OE2-NH2 3.82Å
712	W	97.8	Very high	93.4	Very high	11 Å²	11	33.7 Å²	33.7	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	159.9	174.7	71.1	98	0	0	0	114.3	V614 F617 A618 F676 V699 L701 I735 T736 I737	V614-W712 HydrophobicContact CG1-CH2 4.46Å; V614-W712 HydrophobicContact CG1-CZ3 4.09Å; F617-W712 AromaticContact CD1-CH2 3.99Å; F617-W712 HydrophobicContact CD1-CH2 3.99Å; F617-W712 AromaticContact CD1-CZ2 3.94Å; F617-W712 HydrophobicContact CD1-CZ2 3.94Å; F617-W712 AromaticContact CE1-CH2 4Å; F617-W712 HydrophobicContact CE1-CH2 4Å; F617-W712 AromaticContact CE1-CZ2 3.93Å; F617-W712 HydrophobicContact CE1-CZ2 3.93Å; A618-W712 HydrophobicContact CB-CZ2 4.17Å; F676-W712 HydrophobicContact CE2-CH2 4.42Å; F676-W712 HydrophobicContact CE2-CZ2 4.42Å; V699-W712 HydrophobicContact CB-CD2 3.84Å; V699-W712 HydrophobicContact CB-CE3 4.36Å; V699-W712 HydrophobicContact CB-CG 4.2Å; V699-W712 HydrophobicContact CB-CH2 4.49Å; V699-W712 HydrophobicContact CB-CZ2 3.97Å; V699-W712 HydrophobicContact CG1-CD2 4.2Å; V699-W712 HydrophobicContact CG1-CH2 3.81Å; V699-W712 HydrophobicContact CG1-CZ2 3.41Å; V699-W712 VanDerWaalsContact CG1-CZ2 3.41Å; V699-W712 HydrophobicContact CG1-CZ3 4.33Å; V699-W712 PolarHBondContact N-O 3.31Å; V699-W712 PolarHBondContact O-N 2.92Å; L701-W712 HydrophobicContact CB-CH2 4.07Å; L701-W712 HydrophobicContact CB-CZ3 3.69Å; L701-W712 HydrophobicContact CD2-CZ3 4.37Å; W712-I735 HydrophobicContact CB-CG2 3.84Å; W712-I735 HydrophobicContact CG-CG2 4.1Å; W712-T736 WeakPolarHBondContact CA-O 3.45Å; W712-T736 WeakPolarHBondContact CB-O 3.25Å; W712-I737 HydrophobicContact CB-CB 4.16Å; W712-I737 HydrophobicContact CB-CG1 3.81Å; W712-I737 HydrophobicContact CB-CG2 4.24Å; W712-I737 HydrophobicContact CE3-CG2 4.2Å; W712-I737 HydrophobicContact CG-CG1 4.22Å
713	N	95.9	Very high	92	Very high	55 Å²	55	33.7 Å²	33.7	29%	0.294	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	162.9	175.4	69.2	-81	0	0	0	111.9	E734 I735 T736	N713-E734 PolarHBondContact ND2-O 3.11Å; N713-I735 WeakPolarHBondContact O-CG2 3.4Å; N713-T736 PolarHBondContact OD1-N 2.97Å
714	K	96.3	Very high	90.5	Very high	27 Å²	27	37.4 Å²	37.4	12%	0.117	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-94.6	164	169	-71.2	-179.8	171.1	171.1	0	111.9	E591 Y622 P695 V699	E591-K714 IonicContact OE1-NZ 3.65Å; E591-K714 PolarHBondContact OE1-NZ 2.71Å; E591-K714 WeakPolarHBondContact OE2-CE 3.43Å; E591-K714 IonicContact OE2-NZ 2.65Å; E591-K714 PolarHBondContact OE2-NZ 2.92Å; Y622-K714 WeakPolarHBondContact OH-CA 3.45Å; Y622-K714 WeakPolarHBondContact OH-CB 3.4Å; P695-K714 HydrophobicContact CB-CB 3.89Å; P695-K714 HydrophobicContact CB-CD 4.24Å; P695-K714 HydrophobicContact CG-CB 3.4Å; P695-K714 VanDerWaalsContact CG-CB 3.4Å; P695-K714 HydrophobicContact CG-CD 4.47Å; V699-K714 HydrophobicContact CG2-CD 4.31Å; V699-K714 HydrophobicContact CG2-CG 4.04Å
715	V	96.6	Very high	89.2	Confident	6 Å²	6	36.9 Å²	36.9	4%	0.036	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-98.2	170.4	176.8	-66.6	0	0	0	0	112	Y622 P695 H731 I735 F751	Y622-V715 HydrophobicContact CD1-CG2 4.34Å; Y622-V715 HydrophobicContact CE1-CG2 3.54Å; Y622-V715 HydrophobicContact CE2-CG2 4.49Å; Y622-V715 PolarHBondContact OH-N 2.91Å; Y622-V715 VanDerWaalsContact OH-N 3.09Å; P695-V715 VanDerWaalsContact CD-O 3.22Å; P695-V715 WeakPolarHBondContact CD-O 3.47Å; P695-V715 WeakPolarHBondContact CG-O 3.42Å; V715-H731 HydrophobicContact CG2-CB 4.14Å; V715-I735 HydrophobicContact CG1-CD1 4.45Å; V715-I735 HydrophobicContact CG1-CG1 3.65Å; V715-F751 HydrophobicContact CG1-CB 4.32Å; V715-F751 HydrophobicContact CG1-CD2 3.88Å; V715-F751 HydrophobicContact CG1-CE2 4.5Å; V715-F751 HydrophobicContact CG1-CG 4.22Å; V715-F751 HydrophobicContact CG2-CB 4.25Å; V715-F751 HydrophobicContact CG2-CD1 4.01Å; V715-F751 HydrophobicContact CG2-CD2 4.1Å; V715-F751 HydrophobicContact CG2-CE1 4.34Å; V715-F751 HydrophobicContact CG2-CE2 4.45Å; V715-F751 HydrophobicContact CG2-CG 3.86Å
716	T	94.4	Very high	88.2	Confident	24 Å²	24	40.7 Å²	40.7	15%	0.147	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130	177	-61.1	0	0	0	0	110	E692 L694 H731 Y732	E692-T716 HydrophobicContact CB-CG2 4.06Å; E692-T716 HydrophobicContact CG-CG2 4.22Å; L694-T716 HydrophobicContact CD1-CG2 4.43Å; L694-T716 HydrophobicContact CG-CG2 4.12Å; T716-H731 WeakPolarHBondContact O-CA 3.47Å; T716-Y732 HydrophobicContact CG2-CE2 3.94Å; T716-Y732 PolarHBondContact N-O 2.98Å; T716-Y732 PolarHBondContact O-N 2.99Å
717	T	93.1	Very high	87.7	Confident	13 Å²	13	40.7 Å²	40.7	8%	0.08	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	136.6	168.3	-59	0	0	0	0	109.1	E692 I693 I729 E730 H731	E692-T717 CarbonylContact C-O 3.41Å; E692-T717 WeakPolarHBondContact CA-O 3.01Å; I693-T717 HydrophobicContact CD1-CG2 4.47Å; I693-T717 PolarHBondContact N-O 3.16Å; I693-T717 PolarHBondContact O-N 3.11Å; T717-I729 HydrophobicContact CG2-CG2 4.12Å; T717-E730 CarbonylContact C-O 3.58Å; T717-E730 WeakPolarHBondContact CA-O 3.38Å; T717-H731 WeakPolarHBondContact CB-CE1 3.36Å; T717-H731 WeakPolarHBondContact CB-ND1 3.48Å; T717-H731 WeakPolarHBondContact CG2-CE1 3.49Å; T717-H731 PolarHBondContact OG1-CE1 3.19Å; T717-H731 PolarHBondContact OG1-ND1 2.99Å
718	C	89.8	Confident	87.3	Confident	3 Å²	3	42.9 Å²	42.9	2%	0.02	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	117.6	174	-174.4	0	0	0	0	110.3	M691 I729 E730 Y732	M691-C718 CarbonylContact O-C 3.48Å; M691-C718 WeakPolarHBondContact O-CA 3.36Å; C718-I729 WeakPolarHBondContact O-CA 3.13Å; C718-E730 HydrophobicContact CB-CB 4.37Å; C718-E730 PolarHBondContact N-O 2.9Å; C718-E730 PolarHBondContact O-N 2.92Å; C718-Y732 HydrophobicContact CB-CE1 3.75Å
719	V	86.8	Confident	87	Confident	20 Å²	20	43.2 Å²	43.2	12%	0.121	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	117.6	171.5	-175.1	0	0	0	0	107.8	S690 M691 I693 I722 I729	S690-V719 CarbonylContact C-O 3.6Å; S690-V719 WeakPolarHBondContact CA-O 3.33Å; S690-V719 VanDerWaalsContact CB-O 3.31Å; S690-V719 WeakPolarHBondContact CB-O 3.33Å; M691-V719 PolarHBondContact N-O 2.8Å; M691-V719 PolarHBondContact O-N 2.86Å; I693-V719 HydrophobicContact CD1-CG2 4.28Å; V719-I722 HydrophobicContact CB-CD1 4.11Å; V719-I722 HydrophobicContact CB-CG1 4.29Å; V719-I722 HydrophobicContact CG1-CD1 4.19Å; V719-I722 HydrophobicContact CG1-CG1 3.86Å; V719-I722 WeakPolarHBondContact O-CD1 3.41Å; V719-I729 HydrophobicContact CG2-CD1 4.36Å; V719-I729 HydrophobicContact CG2-CG1 3.96Å
720	H	85.1	Confident	86.8	Confident	37 Å²	37	42 Å²	42	17%	0.171	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	162.2	-178.3	-67.6	-83.2	0	0	0	112.2	S690 I722 R727 W728 E730	S690-H720 WeakPolarHBondContact OG-CA 3.11Å; S690-H720 PolarHBondContact OG-ND1 2.91Å; H720-I722 VanDerWaalsContact C-N 3.3Å; H720-I722 PolarHBondContact O-N 3.29Å; H720-R727 WeakPolarHBondContact O-CA 3.34Å; H720-W728 HydrophobicContact CB-CD2 3.94Å; H720-W728 VanDerWaalsContact CB-CE2 3.47Å; H720-W728 HydrophobicContact CB-CG 4.14Å; H720-W728 HydrophobicContact CB-CZ2 3.89Å; H720-W728 AromaticContact CD2-CD2 3.84Å; H720-W728 AromaticContact CD2-CE2 3.68Å; H720-W728 AromaticContact CD2-CE3 3.78Å; H720-W728 AromaticContact CD2-CH2 3.43Å; H720-W728 VanDerWaalsContact CD2-CH2 3.43Å; H720-W728 WeakPolarHBondContact CD2-CH2 3.39Å; H720-W728 AromaticContact CD2-CZ2 3.47Å; H720-W728 VanDerWaalsContact CD2-CZ2 3.47Å; H720-W728 WeakPolarHBondContact CD2-CZ2 3.12Å; H720-W728 AromaticContact CD2-CZ3 3.6Å; H720-W728 AromaticContact CG-CE2 3.66Å; H720-W728 AromaticContact CG-CZ2 3.57Å; H720-W728 PolarHBondContact N-O 3.31Å; H720-W728 AromaticContact NE2-CH2 3.55Å; H720-W728 AromaticContact NE2-CZ3 3.78Å; H720-E730 IonicContact CE1-OE2 3.17Å; H720-E730 PolarHBondContact CE1-OE2 3.42Å; H720-E730 WeakPolarHBondContact NE2-CB 3.3Å; H720-E730 VanDerWaalsContact NE2-CG 3.33Å; H720-E730 WeakPolarHBondContact NE2-CG 3.07Å; H720-E730 IonicContact NE2-OE1 3.96Å; H720-E730 IonicContact NE2-OE2 3.64Å; H720-E730 PolarHBondContact NE2-OE2 2.95Å
721	N	80.8	Confident	86.7	Confident	56 Å²	56	42.3 Å²	42.3	30%	0.299	22%	0.219	S	C	.	.			trans	58.2	31.3	175.6	-66.6	-18	0	0	0	115.6	K689 L723 S724 R726	K689-N721 PolarHBondContact O-N 2.92Å; N721-L723 VanDerWaalsContact C-N 3.29Å; N721-L723 PolarHBondContact O-N 2.84Å; N721-S724 WeakPolarHBondContact CB-O 3.24Å; N721-S724 PolarHBondContact O-N 2.94Å; N721-R726 WeakPolarHBondContact CB-O 3.42Å; N721-R726 PolarHBondContact ND2-O 3.22Å
722	I	72.6	Confident	86.6	Confident	23 Å²	23	42.1 Å²	42.1	12%	0.118	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-40	-170.9	-64.9	176.8	0	0	0	112.5	L557 K689 M691 V719 H720 R727	L557-I722 HydrophobicContact CD1-CG2 4.16Å; L557-I722 WeakPolarHBondContact CD1-O 3.5Å; K689-I722 PolarHBondContact O-N 3.36Å; M691-I722 HydrophobicContact CB-CD1 3.26Å; M691-I722 HydrophobicContact CE-CD1 4.48Å; V719-I722 HydrophobicContact CB-CD1 4.11Å; V719-I722 HydrophobicContact CB-CG1 4.29Å; V719-I722 HydrophobicContact CG1-CD1 4.19Å; V719-I722 HydrophobicContact CG1-CG1 3.86Å; V719-I722 WeakPolarHBondContact O-CD1 3.41Å; H720-I722 VanDerWaalsContact C-N 3.3Å; H720-I722 PolarHBondContact O-N 3.29Å; I722-R727 PolarHBondContact O-NE 2.94Å
723	L	67.8	Low	86.5	Confident	32 Å²	32	42.8 Å²	42.8	17%	0.168	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-10.9	-175.5	-53.3	-173.1	0	0	0	115.1	L557 L561 F686 G688 N721	L557-L723 HydrophobicContact CB-CD2 4.22Å; L561-L723 HydrophobicContact CD1-CD1 3.71Å; L561-L723 HydrophobicContact CD1-CD2 3.51Å; L561-L723 HydrophobicContact CD1-CG 4.23Å; L561-L723 HydrophobicContact CG-CD2 3.94Å; F686-L723 HydrophobicContact CZ-CD1 4.1Å; F686-L723 HydrophobicContact CZ-CD2 4.19Å; F686-L723 HydrophobicContact CZ-CG 4.19Å; G688-L723 WeakPolarHBondContact O-CD1 3.38Å; N721-L723 VanDerWaalsContact C-N 3.29Å; N721-L723 PolarHBondContact O-N 2.84Å
724	S	67	Low	86.6	Confident	78 Å²	78	42.4 Å²	42.4	55%	0.545	22%	0.224	S	C	.	.	S	Bend	trans	-169.5	129.3	-170.9	57.7	0	0	0	0	112.9	N721	N721-S724 WeakPolarHBondContact CB-O 3.24Å; N721-S724 PolarHBondContact O-N 2.94Å
725	G	70.5	Confident	86.7	Confident	71 Å²	71	41.1 Å²	41.1	73%	0.732	22%	0.218	S	C	*	.	S	Bend	trans	85.7	-169	175	0	0	0	0	0	113.9	R727	G725-R727 PolarHBondContact O-N 3.15Å
726	R	76.9	Confident	86.7	Confident	218 Å²	218	41.8 Å²	41.8	82%	0.823	22%	0.222	S	C	*	.			trans	-69.7	117.1	179.4	-173.3	175.1	-177.4	170.9	3.6	110	N721	N721-R726 WeakPolarHBondContact CB-O 3.42Å; N721-R726 PolarHBondContact ND2-O 3.22Å
727	R	85.1	Confident	86.9	Confident	59 Å²	59	40.7 Å²	40.7	22%	0.223	22%	0.215	C	C	.	.			trans	-69.2	147.7	170.6	-59.6	-177.7	-160.3	135.7	17.1	110.2	A629 G630 H720 I722 G725	A629-R727 HydrophobicContact CB-CB 4.48Å; A629-R727 WeakPolarHBondContact O-CB 3.22Å; A629-R727 WeakPolarHBondContact O-CD 3.29Å; G630-R727 PolarHBondContact O-NH1 2.6Å; H720-R727 WeakPolarHBondContact O-CA 3.34Å; I722-R727 PolarHBondContact O-NE 2.94Å; G725-R727 PolarHBondContact O-N 3.15Å
728	W	87.3	Confident	87.1	Confident	95 Å²	95	46.1 Å²	46.1	36%	0.36	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	155.4	173.9	60.1	-80.6	0	0	0	109.8	H720 E730	H720-W728 HydrophobicContact CB-CD2 3.94Å; H720-W728 VanDerWaalsContact CB-CE2 3.47Å; H720-W728 HydrophobicContact CB-CG 4.14Å; H720-W728 HydrophobicContact CB-CZ2 3.89Å; H720-W728 AromaticContact CD2-CD2 3.84Å; H720-W728 AromaticContact CD2-CE2 3.68Å; H720-W728 AromaticContact CD2-CE3 3.78Å; H720-W728 AromaticContact CD2-CH2 3.43Å; H720-W728 VanDerWaalsContact CD2-CH2 3.43Å; H720-W728 WeakPolarHBondContact CD2-CH2 3.39Å; H720-W728 AromaticContact CD2-CZ2 3.47Å; H720-W728 VanDerWaalsContact CD2-CZ2 3.47Å; H720-W728 WeakPolarHBondContact CD2-CZ2 3.12Å; H720-W728 AromaticContact CD2-CZ3 3.6Å; H720-W728 AromaticContact CG-CE2 3.66Å; H720-W728 AromaticContact CG-CZ2 3.57Å; H720-W728 PolarHBondContact N-O 3.31Å; H720-W728 AromaticContact NE2-CH2 3.55Å; H720-W728 AromaticContact NE2-CZ3 3.78Å; W728-E730 HydrophobicContact CE3-CB 4.32Å; W728-E730 HydrophobicContact CH2-CB 4.46Å; W728-E730 HydrophobicContact CZ3-CB 3.74Å; W728-E730 HydrophobicContact CZ3-CG 4.18Å
729	I	91	Very high	87.4	Confident	18 Å²	18	46.8 Å²	46.8	9%	0.092	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	137.4	179	-84.9	169.6	0	0	0	109.9	A629 T717 C718 V719 H731 W783	A629-I729 HydrophobicContact CB-CB 4.19Å; A629-I729 HydrophobicContact CB-CD1 3.92Å; A629-I729 HydrophobicContact CB-CG1 3.72Å; T717-I729 HydrophobicContact CG2-CG2 4.12Å; C718-I729 WeakPolarHBondContact O-CA 3.13Å; V719-I729 HydrophobicContact CG2-CD1 4.36Å; V719-I729 HydrophobicContact CG2-CG1 3.96Å; I729-H731 WeakPolarHBondContact CG2-NE2 3.48Å; I729-W783 HydrophobicContact CG2-CH2 4.04Å; I729-W783 HydrophobicContact CG2-CZ2 4.32Å
730	E	92.6	Very high	87.8	Confident	4 Å²	4	48.8 Å²	48.8	2%	0.019	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	144.5	168.6	-168.5	-177.7	-147.7	0	0	108.6	T717 C718 H720 W728 Y732 K753 G754	T717-E730 CarbonylContact C-O 3.58Å; T717-E730 WeakPolarHBondContact CA-O 3.38Å; C718-E730 HydrophobicContact CB-CB 4.37Å; C718-E730 PolarHBondContact N-O 2.9Å; C718-E730 PolarHBondContact O-N 2.92Å; H720-E730 IonicContact CE1-OE2 3.17Å; H720-E730 PolarHBondContact CE1-OE2 3.42Å; H720-E730 WeakPolarHBondContact NE2-CB 3.3Å; H720-E730 VanDerWaalsContact NE2-CG 3.33Å; H720-E730 WeakPolarHBondContact NE2-CG 3.07Å; H720-E730 IonicContact NE2-OE1 3.96Å; H720-E730 IonicContact NE2-OE2 3.64Å; H720-E730 PolarHBondContact NE2-OE2 2.95Å; W728-E730 HydrophobicContact CE3-CB 4.32Å; W728-E730 HydrophobicContact CH2-CB 4.46Å; W728-E730 HydrophobicContact CZ3-CB 3.74Å; W728-E730 HydrophobicContact CZ3-CG 4.18Å; E730-Y732 HydrophobicContact CG-CD1 3.98Å; E730-Y732 WeakPolarHBondContact OE2-CE1 3.5Å; E730-K753 VanDerWaalsContact OE1-CG 3.28Å; E730-K753 WeakPolarHBondContact OE1-CG 3.38Å; E730-G754 PolarHBondContact OE1-N 3.36Å
731	H	95.5	Very high	88.2	Confident	6 Å²	6	54 Å²	54	3%	0.028	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132.7	167.7	-61.5	-60.2	0	0	0	108.7	Y622 T625 V715 T716 T717 I729 F751 W783	Y622-H731 HydrophobicContact CD1-CB 4.44Å; Y622-H731 AromaticContact CD1-CD2 3.81Å; Y622-H731 AromaticContact CD1-CG 3.78Å; Y622-H731 AromaticContact CD1-ND1 3.78Å; Y622-H731 PolarHBondContact O-NE2 3.28Å; Y622-H731 VanDerWaalsContact O-NE2 3.15Å; T625-H731 WeakPolarHBondContact CB-NE2 3.31Å; T625-H731 VanDerWaalsContact CG2-NE2 3.34Å; T625-H731 WeakPolarHBondContact CG2-NE2 3.12Å; T625-H731 PolarHBondContact OG1-NE2 2.98Å; V715-H731 HydrophobicContact CG2-CB 4.14Å; T716-H731 WeakPolarHBondContact O-CA 3.47Å; T717-H731 WeakPolarHBondContact CB-CE1 3.36Å; T717-H731 WeakPolarHBondContact CB-ND1 3.48Å; T717-H731 WeakPolarHBondContact CG2-CE1 3.49Å; T717-H731 PolarHBondContact OG1-CE1 3.19Å; T717-H731 PolarHBondContact OG1-ND1 2.99Å; I729-H731 WeakPolarHBondContact CG2-NE2 3.48Å; H731-F751 HydrophobicContact CB-CD1 3.79Å; H731-F751 HydrophobicContact CB-CE1 4.41Å; H731-W783 AromaticContact CD2-CD2 3.66Å; H731-W783 AromaticContact CD2-CE2 3.43Å; H731-W783 VanDerWaalsContact CD2-CE2 3.43Å; H731-W783 AromaticContact CD2-CE3 3.87Å; H731-W783 AromaticContact CD2-CH2 3.76Å; H731-W783 AromaticContact CD2-CZ2 3.51Å; H731-W783 AromaticContact CD2-CZ3 3.92Å; H731-W783 AromaticContact CD2-NE1 3.87Å; H731-W783 AromaticContact NE2-CE3 3.83Å; H731-W783 AromaticContact NE2-CH2 3.41Å; H731-W783 WeakPolarHBondContact NE2-CH2 3.49Å; H731-W783 AromaticContact NE2-CZ2 3.96Å; H731-W783 AromaticContact NE2-CZ3 3.32Å; H731-W783 VanDerWaalsContact NE2-CZ3 3.32Å; H731-W783 WeakPolarHBondContact NE2-CZ3 3.28Å
732	Y	95.1	Very high	88.8	Confident	28 Å²	28	53.7 Å²	53.7	11%	0.11	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	147.7	178.5	58.2	-100.2	0	0	0	113.9	E692 T716 C718 E730 F751 K753	E692-Y732 WeakPolarHBondContact CG-OH 3.17Å; E692-Y732 PolarHBondContact OE1-OH 3.32Å; T716-Y732 HydrophobicContact CG2-CE2 3.94Å; T716-Y732 PolarHBondContact N-O 2.98Å; T716-Y732 PolarHBondContact O-N 2.99Å; C718-Y732 HydrophobicContact CB-CE1 3.75Å; E730-Y732 HydrophobicContact CG-CD1 3.98Å; E730-Y732 WeakPolarHBondContact OE2-CE1 3.5Å; Y732-F751 WeakPolarHBondContact CA-O 3.43Å; Y732-K753 HydrophobicContact CD1-CB 4.4Å; Y732-K753 HydrophobicContact CD1-CD 3.84Å; Y732-K753 HydrophobicContact CD1-CG 3.93Å; Y732-K753 HydrophobicContact CD2-CD 4.22Å; Y732-K753 HydrophobicContact CE1-CD 3.98Å; Y732-K753 HydrophobicContact CE1-CG 4.48Å; Y732-K753 HydrophobicContact CE2-CD 4.37Å; Y732-K753 HydrophobicContact CG-CB 4.14Å; Y732-K753 HydrophobicContact CG-CD 3.96Å; Y732-K753 HydrophobicContact CG-CG 4.11Å; Y732-K753 PolarHBondContact OH-NZ 2.89Å; Y732-K753 VanDerWaalsContact OH-NZ 3.1Å
733	G	96.1	Very high	89.7	Confident	26 Å²	26	56.9 Å²	56.9	27%	0.268	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	140.1	-170.1	-179	0	0	0	0	0	111.7	T750 F751	G733-T750 WeakPolarHBondContact O-CA 3.43Å; G733-F751 PolarHBondContact N-O 3.13Å; G733-F751 PolarHBondContact O-N 3.06Å
734	E	97.7	Very high	90.7	Very high	47 Å²	47	56.9 Å²	56.9	22%	0.22	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	130.3	173	-177.4	172.4	104	0	0	109.9	R471 N713 T736 K748 L749	R471-E734 IonicContact CZ-OE2 2.76Å; R471-E734 IonicContact NH1-OE2 3.54Å; R471-E734 IonicContact NH2-OE2 3.49Å; R471-E734 PolarHBondContact NH2-OE2 3.41Å; N713-E734 PolarHBondContact ND2-O 3.11Å; E734-T736 PolarHBondContact OE1-OG1 3.28Å; E734-K748 WeakPolarHBondContact OE1-CD 3.43Å; E734-K748 VanDerWaalsContact OE1-CE 3.3Å; E734-K748 WeakPolarHBondContact OE1-CE 3.43Å; E734-K748 IonicContact OE1-NZ 3.37Å; E734-K748 PolarHBondContact OE1-NZ 3.4Å; E734-K748 IonicContact OE2-NZ 3.75Å; E734-L749 CarbonylContact C-O 3.49Å; E734-L749 VanDerWaalsContact CA-O 3.28Å; E734-L749 WeakPolarHBondContact CA-O 3.06Å
735	I	98.1	Very high	91.9	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	126.4	160.3	-57.5	-172.2	0	0	0	107.3	Y622 W712 N713 V715 I737 K748 L749 F751	Y622-I735 HydrophobicContact CE2-CD1 3.96Å; W712-I735 HydrophobicContact CB-CG2 3.84Å; W712-I735 HydrophobicContact CG-CG2 4.1Å; N713-I735 WeakPolarHBondContact O-CG2 3.4Å; V715-I735 HydrophobicContact CG1-CD1 4.45Å; V715-I735 HydrophobicContact CG1-CG1 3.65Å; I735-I737 HydrophobicContact CG2-CD1 4.39Å; I735-I737 HydrophobicContact CG2-CG1 3.69Å; I735-K748 WeakPolarHBondContact O-CA 3.42Å; I735-L749 HydrophobicContact CB-CB 4.25Å; I735-L749 HydrophobicContact CB-CD1 4.4Å; I735-L749 PolarHBondContact N-O 2.83Å; I735-L749 PolarHBondContact O-N 2.85Å; I735-F751 HydrophobicContact CD1-CD2 4.4Å; I735-F751 HydrophobicContact CD1-CE2 3.58Å; I735-F751 HydrophobicContact CD1-CZ 4.19Å; I735-F751 HydrophobicContact CG1-CD2 4.34Å; I735-F751 HydrophobicContact CG1-CE2 3.98Å
736	T	98	Very high	93.2	Very high	20 Å²	20	52.6 Å²	52.6	12%	0.123	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	116.3	164.5	-65.5	0	0	0	0	109.4	W712 N713 E734 L746 C747	W712-T736 WeakPolarHBondContact CA-O 3.45Å; W712-T736 WeakPolarHBondContact CB-O 3.25Å; N713-T736 PolarHBondContact OD1-N 2.97Å; E734-T736 PolarHBondContact OE1-OG1 3.28Å; T736-L746 HydrophobicContact CG2-CD1 3.74Å; T736-L746 HydrophobicContact CG2-CG 4.5Å; T736-C747 WeakPolarHBondContact CA-O 3.44Å
737	I	98.4	Very high	94.2	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	119.4	175.3	-43.5	179.7	0	0	0	108.5	M611 V614 A615 A618 Y710 W712 I735 C747 L749	M611-I737 HydrophobicContact SD-CB 4Å; M611-I737 HydrophobicContact SD-CG2 3.76Å; V614-I737 HydrophobicContact CG1-CG2 3.99Å; A615-I737 HydrophobicContact CB-CD1 3.93Å; A618-I737 HydrophobicContact CB-CD1 3.84Å; Y710-I737 HydrophobicContact CD1-CG2 4.26Å; W712-I737 HydrophobicContact CB-CB 4.16Å; W712-I737 HydrophobicContact CB-CG1 3.81Å; W712-I737 HydrophobicContact CB-CG2 4.24Å; W712-I737 HydrophobicContact CE3-CG2 4.2Å; W712-I737 HydrophobicContact CG-CG1 4.22Å; I735-I737 HydrophobicContact CG2-CD1 4.39Å; I735-I737 HydrophobicContact CG2-CG1 3.69Å; I737-C747 HydrophobicContact CB-CB 4.2Å; I737-C747 PolarHBondContact N-O 2.96Å; I737-C747 PolarHBondContact O-N 3.49Å; I737-L749 HydrophobicContact CD1-CD1 4.06Å
738	R	96.8	Very high	94.9	Very high	128 Å²	128	42.3 Å²	42.3	48%	0.483	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.7	178.7	65	-175.9	65.3	-131.3	-3.5	110.4	Y710 E711 L746	Y710-R738 CarbonylContact C-O 3.59Å; Y710-R738 VanDerWaalsContact CA-O 3.25Å; Y710-R738 WeakPolarHBondContact CA-O 3.21Å; E711-R738 PolarHBondContact N-O 3.06Å; E711-R738 PolarHBondContact O-N 3.43Å; E711-R738 VanDerWaalsContact O-N 3.09Å; R738-L746 HydrophobicContact CB-CD1 3.84Å
739	N	96.3	Very high	95.4	Very high	17 Å²	17	37.8 Å²	37.8	9%	0.091	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	134.8	161.5	-172.7	-12.7	0	0	0	108.5	D708 H709 Y710 K741 S742	D708-N739 PolarHBondContact OD1-ND2 2.82Å; H709-N739 PolarHBondContact N-OD1 3.23Å; H709-N739 CarbonylContact O-C 3.54Å; H709-N739 WeakPolarHBondContact O-CA 3.34Å; H709-N739 PolarHBondContact O-OD1 3.13Å; Y710-N739 HydrophobicContact CD1-CB 4.19Å; Y710-N739 HydrophobicContact CE1-CB 4.2Å; N739-K741 PolarHBondContact OD1-N 3.2Å; N739-S742 WeakPolarHBondContact CB-O 3.48Å
740	T	94.1	Very high	95.7	Very high	62 Å²	62	37.4 Å²	37.4	38%	0.38	20%	0.202	S	C	.	.	S	Bend	trans	-92.7	-7.1	-179.9	65.9	0	0	0	0	112.8	H709 E711	H709-T740 WeakPolarHBondContact CB-OG1 3.17Å; H709-T740 PolarHBondContact ND1-OG1 3.12Å; H709-T740 PolarHBondContact O-N 3.1Å; H709-T740 PolarHBondContact O-OG1 3.22Å; H709-T740 VanDerWaalsContact O-OG1 3.06Å; E711-T740 HydrophobicContact CB-CG2 4.06Å
741	K	94.3	Very high	96	Very high	147 Å²	147	37.3 Å²	37.3	64%	0.639	20%	0.202	S	C	*	.	S	Bend	trans	-106.4	-14	176.9	-54.2	-57.2	179.8	-176.5	0	113.6	G707 H709 N739	G707-K741 WeakPolarHBondContact O-CG 3.33Å; H709-K741 HydrophobicContact CB-CG 3.98Å; N739-K741 PolarHBondContact OD1-N 3.2Å
742	S	93.1	Very high	95.9	Very high	48 Å²	48	37.1 Å²	37.1	34%	0.336	20%	0.201	S	C	.	.			trans	-144.5	135	179.1	179.7	0	0	0	0	110.9	N739 A744	N739-S742 WeakPolarHBondContact CB-O 3.48Å; S742-A744 VanDerWaalsContact C-N 3.31Å; S742-A744 WeakPolarHBondContact OG-CB 3.49Å; S742-A744 PolarHBondContact OG-N 3.23Å
743	S	90.9	Very high	95.5	Very high	90 Å²	90	40 Å²	40	63%	0.629	21%	0.214	S	C	*	.			trans	-83.7	-3	172.6	53.5	0	0	0	0	113.7	C745 Q771	S743-C745 PolarHBondContact O-N 2.93Å; S743-C745 VanDerWaalsContact O-N 3.12Å; S743-Q771 WeakPolarHBondContact O-CB 3.22Å
744	A	90.4	Very high	94.4	Very high	33 Å²	33	39.7 Å²	39.7	27%	0.273	21%	0.211	S	C	.	.	S	Bend	trans	-60	-28.2	-165.8	0	0	0	0	0	114.9	S742	S742-A744 VanDerWaalsContact C-N 3.31Å; S742-A744 WeakPolarHBondContact OG-CB 3.49Å; S742-A744 PolarHBondContact OG-N 3.23Å
745	C	92.5	Very high	93.1	Very high	8 Å²	8	43.3 Å²	43.3	5%	0.054	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153.1	173.9	64.4	0	0	0	0	113.9	F608 S743 V768 M769	F608-C745 HydrophobicContact CD1-CB 3.66Å; F608-C745 HydrophobicContact CE1-CB 3.51Å; F608-C745 HydrophobicContact CZ-CB 4.43Å; S743-C745 PolarHBondContact O-N 2.93Å; S743-C745 VanDerWaalsContact O-N 3.12Å; C745-V768 HydrophobicContact CB-CG1 4.09Å; C745-M769 WeakPolarHBondContact CA-O 3.29Å; C745-M769 VanDerWaalsContact CB-O 3.31Å; C745-M769 WeakPolarHBondContact CB-O 3.4Å
746	L	96.9	Very high	90.7	Very high	51 Å²	51	53.6 Å²	53.6	27%	0.267	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	131.3	177.5	-177.5	69.4	0	0	0	109	T736 R738 M769	T736-L746 HydrophobicContact CG2-CD1 3.74Å; T736-L746 HydrophobicContact CG2-CG 4.5Å; R738-L746 HydrophobicContact CB-CD1 3.84Å; L746-M769 HydrophobicContact CB-CE 4.29Å; L746-M769 HydrophobicContact CD2-CE 3.92Å; L746-M769 HydrophobicContact CG-CE 4.21Å; L746-M769 PolarHBondContact N-O 2.83Å; L746-M769 PolarHBondContact O-N 3.17Å
747	C	98.4	Very high	88.4	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	139.6	170.5	-174.4	0	0	0	0	111.7	M611 T736 I737 F767 V768	M611-C747 HydrophobicContact CG-CB 3.54Å; M611-C747 HydrophobicContact SD-CB 3.69Å; T736-C747 WeakPolarHBondContact CA-O 3.44Å; I737-C747 HydrophobicContact CB-CB 4.2Å; I737-C747 PolarHBondContact N-O 2.96Å; I737-C747 PolarHBondContact O-N 3.49Å; C747-F767 VanDerWaalsContact CA-O 3.3Å; C747-F767 WeakPolarHBondContact CA-O 3.49Å; C747-F767 PolarHBondContact SG-O 2.77Å; C747-F767 VanDerWaalsContact SG-O 3.33Å; C747-V768 HydrophobicContact CB-CG2 4.12Å
748	K	98.4	Very high	86.4	Confident	60 Å²	60	65.9 Å²	65.9	26%	0.261	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.4	164.8	-69	-171.2	165.3	-143	0	109.5	E734 I735 G766 F767 M769	E734-K748 WeakPolarHBondContact OE1-CD 3.43Å; E734-K748 VanDerWaalsContact OE1-CE 3.3Å; E734-K748 WeakPolarHBondContact OE1-CE 3.43Å; E734-K748 IonicContact OE1-NZ 3.37Å; E734-K748 PolarHBondContact OE1-NZ 3.4Å; E734-K748 IonicContact OE2-NZ 3.75Å; I735-K748 WeakPolarHBondContact O-CA 3.42Å; K748-G766 CarbonylContact O-C 3.48Å; K748-G766 WeakPolarHBondContact O-CA 3.4Å; K748-F767 HydrophobicContact CB-CD2 4.25Å; K748-F767 HydrophobicContact CB-CE2 3.77Å; K748-F767 HydrophobicContact CB-CZ 4.03Å; K748-F767 HydrophobicContact CD-CE2 3.92Å; K748-F767 HydrophobicContact CD-CZ 4.14Å; K748-F767 HydrophobicContact CG-CE2 4.14Å; K748-F767 PolarHBondContact N-O 2.99Å; K748-F767 PolarHBondContact O-N 3.14Å; K748-M769 HydrophobicContact CG-CE 4.47Å
749	L	98.5	Very high	85	Confident	0 Å²	0	64 Å²	64	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129.2	169.8	-62.5	156.2	0	0	0	108	A615 V619 E734 I735 I737 V764 Q765 L779	A615-L749 HydrophobicContact CB-CD1 4.12Å; A615-L749 HydrophobicContact CB-CD2 4.42Å; V619-L749 HydrophobicContact CG2-CD1 3.78Å; V619-L749 HydrophobicContact CG2-CD2 4.15Å; E734-L749 CarbonylContact C-O 3.49Å; E734-L749 VanDerWaalsContact CA-O 3.28Å; E734-L749 WeakPolarHBondContact CA-O 3.06Å; I735-L749 HydrophobicContact CB-CB 4.25Å; I735-L749 HydrophobicContact CB-CD1 4.4Å; I735-L749 PolarHBondContact N-O 2.83Å; I735-L749 PolarHBondContact O-N 2.85Å; I737-L749 HydrophobicContact CD1-CD1 4.06Å; L749-V764 HydrophobicContact CB-CG1 4.17Å; L749-V764 HydrophobicContact CD2-CG1 4.06Å; L749-Q765 CarbonylContact C-O 3.54Å; L749-Q765 VanDerWaalsContact CA-O 3.25Å; L749-Q765 WeakPolarHBondContact CA-O 3.48Å; L749-L779 HydrophobicContact CD2-CB 4.38Å; L749-L779 HydrophobicContact CD2-CD1 3.86Å
750	T	98.3	Very high	84	Confident	10 Å²	10	64.2 Å²	64.2	6%	0.061	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	125.2	170.2	-56	0	0	0	0	108.7	E469 R471 G733 V764 Q765	E469-T750 WeakPolarHBondContact OE1-CB 3.35Å; E469-T750 WeakPolarHBondContact OE2-CG2 3.19Å; R471-T750 PolarHBondContact NH1-OG1 2.96Å; G733-T750 WeakPolarHBondContact O-CA 3.43Å; T750-V764 VanDerWaalsContact O-CA 3.27Å; T750-V764 WeakPolarHBondContact O-CA 3.35Å; T750-Q765 PolarHBondContact N-O 2.82Å; T750-Q765 PolarHBondContact O-N 2.86Å; T750-Q765 VanDerWaalsContact O-N 3.07Å
751	F	97.6	Very high	83.5	Confident	3 Å²	3	64.5 Å²	64.5	1%	0.013	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.3	170.2	-80.1	-113	0	0	0	108.2	V619 Y622 V715 H731 Y732 G733 I735 V764 W783	V619-F751 HydrophobicContact CB-CZ 4.49Å; V619-F751 HydrophobicContact CG1-CZ 4.4Å; V619-F751 HydrophobicContact CG2-CE2 4.32Å; V619-F751 HydrophobicContact CG2-CZ 4.1Å; Y622-F751 HydrophobicContact CD1-CE1 4.38Å; Y622-F751 AromaticContact CD2-CE1 3.78Å; Y622-F751 HydrophobicContact CD2-CE1 3.78Å; Y622-F751 AromaticContact CD2-CZ 3.59Å; Y622-F751 HydrophobicContact CD2-CZ 3.59Å; Y622-F751 HydrophobicContact CE2-CE1 4.21Å; Y622-F751 HydrophobicContact CE2-CE2 4.47Å; Y622-F751 AromaticContact CE2-CZ 3.74Å; Y622-F751 HydrophobicContact CE2-CZ 3.74Å; Y622-F751 AromaticContact CG-CE1 3.88Å; Y622-F751 HydrophobicContact CG-CE1 3.88Å; Y622-F751 HydrophobicContact CG-CZ 4.18Å; V715-F751 HydrophobicContact CG1-CB 4.32Å; V715-F751 HydrophobicContact CG1-CD2 3.88Å; V715-F751 HydrophobicContact CG1-CE2 4.5Å; V715-F751 HydrophobicContact CG1-CG 4.22Å; V715-F751 HydrophobicContact CG2-CB 4.25Å; V715-F751 HydrophobicContact CG2-CD1 4.01Å; V715-F751 HydrophobicContact CG2-CD2 4.1Å; V715-F751 HydrophobicContact CG2-CE1 4.34Å; V715-F751 HydrophobicContact CG2-CE2 4.45Å; V715-F751 HydrophobicContact CG2-CG 3.86Å; H731-F751 HydrophobicContact CB-CD1 3.79Å; H731-F751 HydrophobicContact CB-CE1 4.41Å; Y732-F751 WeakPolarHBondContact CA-O 3.43Å; G733-F751 PolarHBondContact N-O 3.13Å; G733-F751 PolarHBondContact O-N 3.06Å; I735-F751 HydrophobicContact CD1-CD2 4.4Å; I735-F751 HydrophobicContact CD1-CE2 3.58Å; I735-F751 HydrophobicContact CD1-CZ 4.19Å; I735-F751 HydrophobicContact CG1-CD2 4.34Å; I735-F751 HydrophobicContact CG1-CE2 3.98Å; F751-V764 HydrophobicContact CD1-CG2 3.68Å; F751-V764 HydrophobicContact CD2-CG1 4.19Å; F751-V764 HydrophobicContact CD2-CG2 4.19Å; F751-V764 HydrophobicContact CE1-CG2 3.7Å; F751-V764 HydrophobicContact CE2-CG1 4.12Å; F751-V764 HydrophobicContact CE2-CG2 4.19Å; F751-V764 HydrophobicContact CG-CG2 3.95Å; F751-V764 HydrophobicContact CZ-CG2 3.96Å; F751-W783 HydrophobicContact CD1-CB 4.44Å; F751-W783 AromaticContact CD1-CD1 3.89Å; F751-W783 HydrophobicContact CD1-CG 4.36Å; F751-W783 HydrophobicContact CE1-CB 3.82Å; F751-W783 HydrophobicContact CE1-CG 4.12Å
752	V	93.4	Very high	83.5	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.006	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-84.2	124.2	-163.3	-174.2	0	0	0	0	111	E469 G754 N760 E763	E469-V752 HydrophobicContact CG-CB 4.46Å; E469-V752 HydrophobicContact CG-CG1 4.23Å; E469-V752 HydrophobicContact CG-CG2 3.43Å; E469-V752 VanDerWaalsContact CG-CG2 3.43Å; E469-V752 WeakPolarHBondContact OE1-CG2 3.37Å; V752-G754 PolarHBondContact O-N 3.42Å; V752-N760 HydrophobicContact CG1-CB 4.09Å; V752-E763 HydrophobicContact CB-CB 3.81Å; V752-E763 HydrophobicContact CG1-CB 4.44Å; V752-E763 HydrophobicContact CG2-CB 3.43Å; V752-E763 VanDerWaalsContact CG2-CB 3.43Å; V752-E763 WeakPolarHBondContact CG2-O 3.49Å; V752-E763 PolarHBondContact N-O 2.96Å; V752-E763 VanDerWaalsContact N-O 3.08Å
753	K	88.2	Confident	83.6	Confident	89 Å²	89	56.2 Å²	56.2	39%	0.387	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-78	120.5	168.6	-163.9	163.5	-171.3	153.1	0	109.2	E730 Y732	E730-K753 VanDerWaalsContact OE1-CG 3.28Å; E730-K753 WeakPolarHBondContact OE1-CG 3.38Å; Y732-K753 HydrophobicContact CD1-CB 4.4Å; Y732-K753 HydrophobicContact CD1-CD 3.84Å; Y732-K753 HydrophobicContact CD1-CG 3.93Å; Y732-K753 HydrophobicContact CD2-CD 4.22Å; Y732-K753 HydrophobicContact CE1-CD 3.98Å; Y732-K753 HydrophobicContact CE1-CG 4.48Å; Y732-K753 HydrophobicContact CE2-CD 4.37Å; Y732-K753 HydrophobicContact CG-CB 4.14Å; Y732-K753 HydrophobicContact CG-CD 3.96Å; Y732-K753 HydrophobicContact CG-CG 4.11Å; Y732-K753 PolarHBondContact OH-NZ 2.89Å; Y732-K753 VanDerWaalsContact OH-NZ 3.1Å
754	G	72.6	Confident	83.9	Confident	20 Å²	20	51.9 Å²	51.9	21%	0.206	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-77.7	139.5	-177.1	0	0	0	0	0	111.8	E730 V752	E730-G754 PolarHBondContact OE1-N 3.36Å; V752-G754 PolarHBondContact O-N 3.42Å
755	N	70.2	Confident	84.2	Confident	122 Å²	122	53.1 Å²	53.1	65%	0.652	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-93.8	150.6	163.9	-72.9	-26.4	0	0	0	109.2	W757 S758	N755-W757 PolarHBondContact O-N 2.68Å; N755-S758 PolarHBondContact N-OG 3.5Å; N755-S758 PolarHBondContact O-N 2.78Å; N755-S758 PolarHBondContact O-OG 2.85Å
756	Y	47.4	Very low	84.4	Confident	217 Å²	217	53 Å²	53	85%	0.851	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-8.8	-176.8	-154.1	-89.9	0	0	0	114.8
757	W	49	Very low	84.4	Confident	248 Å²	248	53.4 Å²	53.4	94%	0.939	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	4.4	-178.3	-56.6	96.2	0	0	0	113.6	N755	N755-W757 PolarHBondContact O-N 2.68Å
758	S	57.5	Low	84.4	Confident	29 Å²	29	53.4 Å²	53.4	20%	0.203	26%	0.258	C	S	.	.			trans	-100.5	142.3	-178.4	60.4	0	0	0	0	112.2	N755 N760	N755-S758 PolarHBondContact N-OG 3.5Å; N755-S758 PolarHBondContact O-N 2.78Å; N755-S758 PolarHBondContact O-OG 2.85Å; S758-N760 PolarHBondContact O-N 3.41Å; S758-N760 VanDerWaalsContact O-N 3.11Å
759	S	66.3	Low	84.4	Confident	89 Å²	89	51.7 Å²	51.7	62%	0.622	25%	0.251	S	S	*	.	S	Bend	trans	-56	-19.1	165.8	36.6	0	0	0	0	114.3	V761	S759-V761 PolarHBondContact O-N 2.92Å
760	N	76.2	Confident	84.3	Confident	22 Å²	22	52.6 Å²	52.6	12%	0.118	26%	0.256	C	S	.	.			trans	-81.3	25.4	-157.5	-49.2	-11.6	0	0	0	113.9	N468 E469 V752 S758 N762 E763	N468-N760 PolarHBondContact N-OD1 2.92Å; N468-N760 PolarHBondContact O-ND2 3.23Å; E469-N760 PolarHBondContact N-ND2 2.93Å; V752-N760 HydrophobicContact CG1-CB 4.09Å; S758-N760 PolarHBondContact O-N 3.41Å; S758-N760 VanDerWaalsContact O-N 3.11Å; N760-N762 PolarHBondContact O-N 3.35Å; N760-E763 VanDerWaalsContact CA-CD 3.44Å; N760-E763 WeakPolarHBondContact CA-OE1 3.01Å; N760-E763 WeakPolarHBondContact CB-OE2 3.47Å
761	V	84.4	Confident	84	Confident	67 Å²	67	58 Å²	58	41%	0.406	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	127.7	-177.1	-179.7	0	0	0	0	109.1	S759 E763 K782	S759-V761 PolarHBondContact O-N 2.92Å; V761-E763 PolarHBondContact O-N 2.82Å; V761-K782 WeakPolarHBondContact O-CD 3.3Å
762	N	92.3	Very high	83.8	Confident	9 Å²	9	64.3 Å²	64.3	5%	0.048	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	18.9	177.5	-58.6	-15.8	0	0	0	115.9	Y626 N760 K782 W783 H784	Y626-N762 WeakPolarHBondContact CE2-ND2 3.28Å; N760-N762 PolarHBondContact O-N 3.35Å; N762-K782 CarbonylContact O-C 3.57Å; N762-K782 WeakPolarHBondContact O-CA 3.26Å; N762-K782 VanDerWaalsContact O-CB 3.29Å; N762-K782 WeakPolarHBondContact O-CB 3.35Å; N762-W783 VanDerWaalsContact CA-NE1 3.31Å; N762-W783 HydrophobicContact CB-CD2 4.34Å; N762-W783 HydrophobicContact CB-CG 4.49Å; N762-W783 HydrophobicContact CB-CZ2 3.95Å; N762-W783 VanDerWaalsContact CB-NE1 3.29Å; N762-W783 PolarHBondContact O-N 3.46Å; N762-W783 VanDerWaalsContact OD1-CZ2 3.31Å; N762-W783 WeakPolarHBondContact OD1-CZ2 3.33Å; N762-H784 VanDerWaalsContact CB-CE1 3.47Å; N762-H784 WeakPolarHBondContact CB-CE1 3.37Å; N762-H784 VanDerWaalsContact CB-ND1 3.31Å; N762-H784 WeakPolarHBondContact CB-ND1 3.37Å
763	E	95.4	Very high	83.8	Confident	12 Å²	12	66.2 Å²	66.2	6%	0.056	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	158.1	175.2	-76.1	178.1	-178	0	0	112.7	S467 N468 V752 N760 V761 G781 K782	S467-E763 WeakPolarHBondContact CA-OE1 3.37Å; S467-E763 VanDerWaalsContact CB-CD 3.47Å; S467-E763 WeakPolarHBondContact CB-OE1 3.33Å; N468-E763 WeakPolarHBondContact CA-OE2 3.38Å; N468-E763 PolarHBondContact N-OE2 2.63Å; V752-E763 HydrophobicContact CB-CB 3.81Å; V752-E763 HydrophobicContact CG1-CB 4.44Å; V752-E763 HydrophobicContact CG2-CB 3.43Å; V752-E763 VanDerWaalsContact CG2-CB 3.43Å; V752-E763 WeakPolarHBondContact CG2-O 3.49Å; V752-E763 PolarHBondContact N-O 2.96Å; V752-E763 VanDerWaalsContact N-O 3.08Å; N760-E763 VanDerWaalsContact CA-CD 3.44Å; N760-E763 WeakPolarHBondContact CA-OE1 3.01Å; N760-E763 WeakPolarHBondContact CB-OE2 3.47Å; V761-E763 PolarHBondContact O-N 2.82Å; E763-G781 WeakPolarHBondContact CA-O 3.2Å; E763-K782 HydrophobicContact CG-CD 4.43Å; E763-K782 HydrophobicContact CG-CG 4.18Å
764	V	97.4	Very high	84.2	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	123.9	165.2	-177.3	0	0	0	0	107.9	V619 L749 T750 F751 F780 G781 W783 L787	V619-V764 HydrophobicContact CG1-CG2 4.34Å; V619-V764 HydrophobicContact CG2-CG1 4.09Å; L749-V764 HydrophobicContact CB-CG1 4.17Å; L749-V764 HydrophobicContact CD2-CG1 4.06Å; T750-V764 VanDerWaalsContact O-CA 3.27Å; T750-V764 WeakPolarHBondContact O-CA 3.35Å; F751-V764 HydrophobicContact CD1-CG2 3.68Å; F751-V764 HydrophobicContact CD2-CG1 4.19Å; F751-V764 HydrophobicContact CD2-CG2 4.19Å; F751-V764 HydrophobicContact CE1-CG2 3.7Å; F751-V764 HydrophobicContact CE2-CG1 4.12Å; F751-V764 HydrophobicContact CE2-CG2 4.19Å; F751-V764 HydrophobicContact CG-CG2 3.95Å; F751-V764 HydrophobicContact CZ-CG2 3.96Å; V764-F780 CarbonylContact O-C 3.52Å; V764-F780 VanDerWaalsContact O-CA 3.27Å; V764-F780 WeakPolarHBondContact O-CA 3.47Å; V764-G781 PolarHBondContact N-O 2.66Å; V764-G781 PolarHBondContact O-N 3.17Å; V764-W783 HydrophobicContact CG2-CB 3.86Å; V764-W783 HydrophobicContact CG2-CG 4.46Å; V764-L787 HydrophobicContact CG1-CD1 4.49Å
765	Q	97.1	Very high	85.3	Confident	58 Å²	58	69.7 Å²	69.7	27%	0.271	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	167.7	161.2	-58.4	-179	-7.5	0	0	110.8	N468 E469 L749 T750 L779	N468-Q765 PolarHBondContact OD1-NE2 2.89Å; E469-Q765 VanDerWaalsContact CG-CD 3.42Å; E469-Q765 HydrophobicContact CG-CG 3.8Å; E469-Q765 WeakPolarHBondContact OE1-CB 3.29Å; E469-Q765 VanDerWaalsContact OE1-CG 3.23Å; E469-Q765 WeakPolarHBondContact OE1-CG 3.16Å; E469-Q765 PolarHBondContact OE1-N 2.66Å; L749-Q765 CarbonylContact C-O 3.54Å; L749-Q765 VanDerWaalsContact CA-O 3.25Å; L749-Q765 WeakPolarHBondContact CA-O 3.48Å; T750-Q765 PolarHBondContact N-O 2.82Å; T750-Q765 PolarHBondContact O-N 2.86Å; T750-Q765 VanDerWaalsContact O-N 3.07Å; Q765-L779 CarbonylContact C-O 3.47Å; Q765-L779 WeakPolarHBondContact CA-O 3.41Å
766	G	97.2	Very high	86.6	Confident	5 Å²	5	66.6 Å²	66.6	5%	0.052	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.2	-176.8	168.1	0	0	0	0	0	113.7	K748 L779	K748-G766 CarbonylContact O-C 3.48Å; K748-G766 WeakPolarHBondContact O-CA 3.4Å; G766-L779 PolarHBondContact N-O 2.97Å; G766-L779 PolarHBondContact O-N 3.14Å
767	F	97.5	Very high	88.9	Confident	61 Å²	61	58.2 Å²	58.2	27%	0.268	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	147.1	176.5	37.7	-93.3	0	0	0	110.6	C747 K748 M769 V775 H777	C747-F767 VanDerWaalsContact CA-O 3.3Å; C747-F767 WeakPolarHBondContact CA-O 3.49Å; C747-F767 PolarHBondContact SG-O 2.77Å; C747-F767 VanDerWaalsContact SG-O 3.33Å; K748-F767 HydrophobicContact CB-CD2 4.25Å; K748-F767 HydrophobicContact CB-CE2 3.77Å; K748-F767 HydrophobicContact CB-CZ 4.03Å; K748-F767 HydrophobicContact CD-CE2 3.92Å; K748-F767 HydrophobicContact CD-CZ 4.14Å; K748-F767 HydrophobicContact CG-CE2 4.14Å; K748-F767 PolarHBondContact N-O 2.99Å; K748-F767 PolarHBondContact O-N 3.14Å; F767-M769 HydrophobicContact CD2-CE 3.75Å; F767-M769 HydrophobicContact CD2-CG 3.82Å; F767-M769 HydrophobicContact CD2-SD 3.59Å; F767-M769 VanDerWaalsContact CD2-SD 3.59Å; F767-M769 HydrophobicContact CE2-CE 3.64Å; F767-M769 HydrophobicContact CE2-CG 4.44Å; F767-M769 HydrophobicContact CE2-SD 3.59Å; F767-M769 VanDerWaalsContact CE2-SD 3.59Å; F767-V775 HydrophobicContact CB-CG1 3.89Å; F767-V775 HydrophobicContact CB-CG2 4.1Å; F767-V775 HydrophobicContact CG-CG2 4.35Å; F767-H777 CarbonylContact C-O 3.53Å; F767-H777 WeakPolarHBondContact CA-O 3.29Å
768	V	98.1	Very high	91.3	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	127	163.3	-173.8	0	0	0	0	107.1	F608 M611 V612 C745 C747 I776 H777 L779	F608-V768 HydrophobicContact CD1-CG1 3.94Å; M611-V768 HydrophobicContact CB-CG1 4.02Å; M611-V768 HydrophobicContact CB-CG2 4.36Å; M611-V768 HydrophobicContact CG-CG1 3.8Å; M611-V768 HydrophobicContact CG-CG2 3.95Å; V612-V768 HydrophobicContact CG2-CG2 3.8Å; C745-V768 HydrophobicContact CB-CG1 4.09Å; C747-V768 HydrophobicContact CB-CG2 4.12Å; V768-I776 PolarHBondContact O-N 3.11Å; V768-H777 HydrophobicContact CB-CB 4.17Å; V768-H777 HydrophobicContact CG2-CB 4.31Å; V768-H777 PolarHBondContact N-O 3.26Å; V768-H777 PolarHBondContact O-N 3.22Å; V768-L779 HydrophobicContact CG2-CD1 4.44Å
769	M	97.5	Very high	93.2	Very high	23 Å²	23	51.9 Å²	51.9	11%	0.113	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	156.2	177.7	-62.1	163.8	-61.7	0	0	110.9	C745 L746 K748 F767 K774 V775	C745-M769 WeakPolarHBondContact CA-O 3.29Å; C745-M769 VanDerWaalsContact CB-O 3.31Å; C745-M769 WeakPolarHBondContact CB-O 3.4Å; L746-M769 HydrophobicContact CB-CE 4.29Å; L746-M769 HydrophobicContact CD2-CE 3.92Å; L746-M769 HydrophobicContact CG-CE 4.21Å; L746-M769 PolarHBondContact N-O 2.83Å; L746-M769 PolarHBondContact O-N 3.17Å; K748-M769 HydrophobicContact CG-CE 4.47Å; F767-M769 HydrophobicContact CD2-CE 3.75Å; F767-M769 HydrophobicContact CD2-CG 3.82Å; F767-M769 HydrophobicContact CD2-SD 3.59Å; F767-M769 VanDerWaalsContact CD2-SD 3.59Å; F767-M769 HydrophobicContact CE2-CE 3.64Å; F767-M769 HydrophobicContact CE2-CG 4.44Å; F767-M769 HydrophobicContact CE2-SD 3.59Å; F767-M769 VanDerWaalsContact CE2-SD 3.59Å; M769-K774 WeakPolarHBondContact CA-O 3.27Å; M769-V775 HydrophobicContact CG-CG2 4.02Å
770	D	96.1	Very high	94.7	Very high	19 Å²	19	50.1 Å²	50.1	10%	0.102	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	177.3	160.6	54.4	33.2	0	0	0	111.6	F608 E772 G773 K774 I776	F608-D770 HydrophobicContact CE1-CB 4.14Å; F608-D770 HydrophobicContact CZ-CB 4.08Å; D770-E772 PolarHBondContact O-N 3.35Å; D770-E772 PolarHBondContact OD1-N 3Å; D770-G773 PolarHBondContact O-N 2.65Å; D770-G773 PolarHBondContact OD1-N 3.07Å; D770-K774 PolarHBondContact N-O 2.81Å; D770-K774 WeakPolarHBondContact OD1-CA 3.4Å; D770-K774 WeakPolarHBondContact OD1-CB 3.45Å; D770-K774 PolarHBondContact OD1-N 3.41Å; D770-K774 WeakPolarHBondContact OD2-CB 3.33Å; D770-K774 WeakPolarHBondContact OD2-CG 3.47Å; D770-K774 IonicContact OD2-NZ 2.7Å; D770-K774 PolarHBondContact OD2-NZ 3.35Å; D770-I776 HydrophobicContact CB-CD1 4.38Å; D770-I776 HydrophobicContact CB-CG1 4.23Å; D770-I776 WeakPolarHBondContact OD2-CD1 3.34Å
771	Q	93.4	Very high	95.6	Very high	124 Å²	124	49.8 Å²	49.8	58%	0.579	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.7	-179.8	67.4	-176.4	6.1	0	0	112.9	S743 G773	S743-Q771 WeakPolarHBondContact O-CB 3.22Å; Q771-G773 PolarHBondContact O-N 2.66Å
772	E	93.3	Very high	96.2	Very high	135 Å²	135	49.1 Å²	49.1	63%	0.631	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-7.6	172.9	-64.4	73.9	-159.6	0	0	112.6	D770	D770-E772 PolarHBondContact O-N 3.35Å; D770-E772 PolarHBondContact OD1-N 3Å
773	G	92.5	Very high	96.4	Very high	42 Å²	42	48.7 Å²	48.7	43%	0.433	24%	0.239	S	C	.	.			trans	83.7	8.4	-179.8	0	0	0	0	0	114.3	D770 Q771	D770-G773 PolarHBondContact O-N 2.65Å; D770-G773 PolarHBondContact OD1-N 3.07Å; Q771-G773 PolarHBondContact O-N 2.66Å
774	K	95.9	Very high	96.4	Very high	128 Å²	128	49.8 Å²	49.8	56%	0.557	24%	0.244	S	C	*	.			trans	-77.7	130.9	174.5	152.3	176.7	151.4	-84.3	0	109.3	M769 D770 I776	M769-K774 WeakPolarHBondContact CA-O 3.27Å; D770-K774 PolarHBondContact N-O 2.81Å; D770-K774 WeakPolarHBondContact OD1-CA 3.4Å; D770-K774 WeakPolarHBondContact OD1-CB 3.45Å; D770-K774 PolarHBondContact OD1-N 3.41Å; D770-K774 WeakPolarHBondContact OD2-CB 3.33Å; D770-K774 WeakPolarHBondContact OD2-CG 3.47Å; D770-K774 IonicContact OD2-NZ 2.7Å; D770-K774 PolarHBondContact OD2-NZ 3.35Å; K774-I776 HydrophobicContact CG-CD1 4.35Å; K774-I776 VanDerWaalsContact NZ-CD1 3.25Å; K774-I776 PolarHBondContact O-N 3.4Å
775	V	96.9	Very high	96.2	Very high	53 Å²	53	54 Å²	54	32%	0.321	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	120.7	179.5	177.4	0	0	0	0	110.2	F767 M769 H777 R778	F767-V775 HydrophobicContact CB-CG1 3.89Å; F767-V775 HydrophobicContact CB-CG2 4.1Å; F767-V775 HydrophobicContact CG-CG2 4.35Å; M769-V775 HydrophobicContact CG-CG2 4.02Å; V775-H777 WeakPolarHBondContact CG1-O 3.31Å; V775-R778 HydrophobicContact CG1-CG 3.81Å
776	I	96.8	Very high	96.2	Very high	58 Å²	58	51.3 Å²	51.3	30%	0.297	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	-45.5	175.2	-57.5	-55.4	0	0	0	110.5	F608 V768 D770 K774	F608-I776 HydrophobicContact CB-CG2 4.21Å; F608-I776 HydrophobicContact CD1-CB 4.06Å; F608-I776 HydrophobicContact CD1-CG1 3.93Å; F608-I776 HydrophobicContact CD1-CG2 4.04Å; F608-I776 HydrophobicContact CD2-CG2 4.46Å; F608-I776 HydrophobicContact CE1-CB 4.34Å; F608-I776 HydrophobicContact CE1-CG1 3.69Å; F608-I776 HydrophobicContact CG-CG2 3.99Å; F608-I776 HydrophobicContact CZ-CG1 4.17Å; V768-I776 PolarHBondContact O-N 3.11Å; D770-I776 HydrophobicContact CB-CD1 4.38Å; D770-I776 HydrophobicContact CB-CG1 4.23Å; D770-I776 WeakPolarHBondContact OD2-CD1 3.34Å; K774-I776 HydrophobicContact CG-CD1 4.35Å; K774-I776 VanDerWaalsContact NZ-CD1 3.25Å; K774-I776 PolarHBondContact O-N 3.4Å
777	H	96.9	Very high	96.2	Very high	40 Å²	40	51 Å²	51	19%	0.185	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	142.7	175.5	-60.4	-52.4	0	0	0	111	V612 F767 V768 V775	V612-H777 HydrophobicContact CG2-CB 3.96Å; V612-H777 VanDerWaalsContact CG2-CD2 3.46Å; V612-H777 WeakPolarHBondContact CG2-CD2 3.37Å; F767-H777 CarbonylContact C-O 3.53Å; F767-H777 WeakPolarHBondContact CA-O 3.29Å; V768-H777 HydrophobicContact CB-CB 4.17Å; V768-H777 HydrophobicContact CG2-CB 4.31Å; V768-H777 PolarHBondContact N-O 3.26Å; V768-H777 PolarHBondContact O-N 3.22Å; V775-H777 WeakPolarHBondContact CG1-O 3.31Å
778	R	97.8	Very high	96.2	Very high	142 Å²	142	50.4 Å²	50.4	54%	0.536	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	137.4	167.7	-67.9	179.1	179	-84.3	-0.6	108.7	V775 C789 G790	V775-R778 HydrophobicContact CG1-CG 3.81Å; R778-C789 WeakPolarHBondContact O-CA 3.45Å; R778-G790 PolarHBondContact O-N 3.4Å
779	L	98.3	Very high	96.2	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.016	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	140.5	177.6	-60.4	176.4	0	0	0	109	V612 A615 L749 Q765 G766 V768 Y788 C789	V612-L779 HydrophobicContact CG1-CD2 3.97Å; V612-L779 HydrophobicContact CG2-CD2 4.2Å; A615-L779 HydrophobicContact CB-CD1 3.66Å; L749-L779 HydrophobicContact CD2-CB 4.38Å; L749-L779 HydrophobicContact CD2-CD1 3.86Å; Q765-L779 CarbonylContact C-O 3.47Å; Q765-L779 WeakPolarHBondContact CA-O 3.41Å; G766-L779 PolarHBondContact N-O 2.97Å; G766-L779 PolarHBondContact O-N 3.14Å; V768-L779 HydrophobicContact CG2-CD1 4.44Å; L779-Y788 VanDerWaalsContact CA-O 3.31Å; L779-Y788 WeakPolarHBondContact CA-O 3.1Å; L779-C789 HydrophobicContact CD2-CB 3.69Å
780	F	97.5	Very high	96	Very high	52 Å²	52	51.4 Å²	51.4	23%	0.228	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	160.8	174.6	67.6	-85	0	0	0	111.3	V764 Y788 P792 A795	V764-F780 CarbonylContact O-C 3.52Å; V764-F780 VanDerWaalsContact O-CA 3.27Å; V764-F780 WeakPolarHBondContact O-CA 3.47Å; F780-Y788 HydrophobicContact CE2-CD2 4.28Å; F780-Y788 HydrophobicContact CE2-CG 4.28Å; F780-Y788 HydrophobicContact CZ-CG 4.39Å; F780-Y788 PolarHBondContact N-O 3.44Å; F780-Y788 WeakPolarHBondContact O-CD2 2.99Å; F780-Y788 PolarHBondContact O-N 3.03Å; F780-P792 HydrophobicContact CE1-CG 4.14Å; F780-P792 HydrophobicContact CE2-CG 4.28Å; F780-P792 HydrophobicContact CZ-CG 3.73Å; F780-A795 HydrophobicContact CE1-CB 3.54Å; F780-A795 HydrophobicContact CZ-CB 3.44Å; F780-A795 VanDerWaalsContact CZ-CB 3.44Å
781	G	96.2	Very high	95.5	Very high	14 Å²	14	55.7 Å²	55.7	14%	0.144	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154.9	-154.8	175.7	0	0	0	0	0	112.1	E763 V764 G786	E763-G781 WeakPolarHBondContact CA-O 3.2Å; V764-G781 PolarHBondContact N-O 2.66Å; V764-G781 PolarHBondContact O-N 3.17Å; G781-G786 WeakPolarHBondContact CA-O 3.37Å
782	K	96.3	Very high	94.9	Very high	53 Å²	53	52.3 Å²	52.3	23%	0.23	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137.8	171.3	-48.7	-158.2	-164.8	94	0	109.8	V761 N762 E763 H784 E785 G786	V761-K782 WeakPolarHBondContact O-CD 3.3Å; N762-K782 CarbonylContact O-C 3.57Å; N762-K782 WeakPolarHBondContact O-CA 3.26Å; N762-K782 VanDerWaalsContact O-CB 3.29Å; N762-K782 WeakPolarHBondContact O-CB 3.35Å; E763-K782 HydrophobicContact CG-CD 4.43Å; E763-K782 HydrophobicContact CG-CG 4.18Å; K782-H784 PolarHBondContact O-N 2.99Å; K782-E785 HydrophobicContact CB-CB 4.12Å; K782-E785 HydrophobicContact CB-CG 4.19Å; K782-E785 HydrophobicContact CD-CG 4.48Å; K782-E785 IonicContact NZ-OE1 3.12Å; K782-E785 PolarHBondContact NZ-OE1 3.27Å; K782-E785 IonicContact NZ-OE2 2.77Å; K782-E785 PolarHBondContact NZ-OE2 3.32Å; K782-E785 PolarHBondContact O-N 3.24Å; K782-G786 PolarHBondContact N-O 2.97Å; K782-G786 PolarHBondContact O-N 3.25Å; K782-G786 VanDerWaalsContact O-O 3.07Å
783	W	96.6	Very high	94.4	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-8.6	-174.1	59.9	-104.4	0	0	0	114.8	V619 Y622 S623 T625 Y626 I729 H731 F751 N762 V764 W799	V619-W783 HydrophobicContact CG1-CB 4.02Å; Y622-W783 WeakPolarHBondContact O-CZ3 3.39Å; S623-W783 WeakPolarHBondContact CA-O 3.37Å; S623-W783 WeakPolarHBondContact CB-O 3.42Å; T625-W783 VanDerWaalsContact OG1-CZ3 3.3Å; T625-W783 WeakPolarHBondContact OG1-CZ3 3.47Å; Y626-W783 AromaticContact CD2-CH2 3.93Å; Y626-W783 HydrophobicContact CD2-CH2 3.93Å; Y626-W783 HydrophobicContact CD2-CZ3 4.35Å; Y626-W783 HydrophobicContact CG-CH2 4.46Å; I729-W783 HydrophobicContact CG2-CH2 4.04Å; I729-W783 HydrophobicContact CG2-CZ2 4.32Å; H731-W783 AromaticContact CD2-CD2 3.66Å; H731-W783 AromaticContact CD2-CE2 3.43Å; H731-W783 VanDerWaalsContact CD2-CE2 3.43Å; H731-W783 AromaticContact CD2-CE3 3.87Å; H731-W783 AromaticContact CD2-CH2 3.76Å; H731-W783 AromaticContact CD2-CZ2 3.51Å; H731-W783 AromaticContact CD2-CZ3 3.92Å; H731-W783 AromaticContact CD2-NE1 3.87Å; H731-W783 AromaticContact NE2-CE3 3.83Å; H731-W783 AromaticContact NE2-CH2 3.41Å; H731-W783 WeakPolarHBondContact NE2-CH2 3.49Å; H731-W783 AromaticContact NE2-CZ2 3.96Å; H731-W783 AromaticContact NE2-CZ3 3.32Å; H731-W783 VanDerWaalsContact NE2-CZ3 3.32Å; H731-W783 WeakPolarHBondContact NE2-CZ3 3.28Å; F751-W783 HydrophobicContact CD1-CB 4.44Å; F751-W783 AromaticContact CD1-CD1 3.89Å; F751-W783 HydrophobicContact CD1-CG 4.36Å; F751-W783 HydrophobicContact CE1-CB 3.82Å; F751-W783 HydrophobicContact CE1-CG 4.12Å; N762-W783 VanDerWaalsContact CA-NE1 3.31Å; N762-W783 HydrophobicContact CB-CD2 4.34Å; N762-W783 HydrophobicContact CB-CG 4.49Å; N762-W783 HydrophobicContact CB-CZ2 3.95Å; N762-W783 VanDerWaalsContact CB-NE1 3.29Å; N762-W783 PolarHBondContact O-N 3.46Å; N762-W783 VanDerWaalsContact OD1-CZ2 3.31Å; N762-W783 WeakPolarHBondContact OD1-CZ2 3.33Å; V764-W783 HydrophobicContact CG2-CB 3.86Å; V764-W783 HydrophobicContact CG2-CG 4.46Å; W783-W799 WeakPolarHBondContact O-CH2 3.37Å
784	H	94.6	Very high	94.3	Very high	36 Å²	36	54.4 Å²	54.4	17%	0.167	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.1	0	176.6	72.7	-64.2	0	0	0	114.1	Y626 N762 K782	Y626-H784 HydrophobicContact CD2-CB 3.8Å; Y626-H784 AromaticContact CD2-CD2 3.45Å; Y626-H784 VanDerWaalsContact CD2-CD2 3.45Å; Y626-H784 WeakPolarHBondContact CD2-CD2 3.24Å; Y626-H784 AromaticContact CD2-CG 3.64Å; Y626-H784 AromaticContact CE1-CD2 3.98Å; Y626-H784 HydrophobicContact CE2-CB 4.48Å; Y626-H784 AromaticContact CE2-CD2 3.23Å; Y626-H784 WeakPolarHBondContact CE2-CD2 3.22Å; Y626-H784 AromaticContact CE2-CG 3.85Å; Y626-H784 AromaticContact CE2-NE2 3.5Å; Y626-H784 WeakPolarHBondContact CE2-NE2 3.35Å; Y626-H784 HydrophobicContact CG-CB 3.89Å; Y626-H784 AromaticContact CG-CD2 3.9Å; Y626-H784 AromaticContact CZ-CD2 3.51Å; Y626-H784 AromaticContact CZ-NE2 3.79Å; N762-H784 VanDerWaalsContact CB-CE1 3.47Å; N762-H784 WeakPolarHBondContact CB-CE1 3.37Å; N762-H784 VanDerWaalsContact CB-ND1 3.31Å; N762-H784 WeakPolarHBondContact CB-ND1 3.37Å; K782-H784 PolarHBondContact O-N 2.99Å
785	E	94.9	Very high	94.1	Very high	89 Å²	89	49.4 Å²	49.4	42%	0.416	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.8	-30.3	-179.7	-63.6	175.9	-175.5	0	0	113.1	K782 P801	K782-E785 HydrophobicContact CB-CB 4.12Å; K782-E785 HydrophobicContact CB-CG 4.19Å; K782-E785 HydrophobicContact CD-CG 4.48Å; K782-E785 IonicContact NZ-OE1 3.12Å; K782-E785 PolarHBondContact NZ-OE1 3.27Å; K782-E785 IonicContact NZ-OE2 2.77Å; K782-E785 PolarHBondContact NZ-OE2 3.32Å; K782-E785 PolarHBondContact O-N 3.24Å; E785-P801 WeakPolarHBondContact O-CD 3.31Å
786	G	95.8	Very high	94	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	144.1	168.1	-179.4	0	0	0	0	0	114.1	G781 K782 W799	G781-G786 WeakPolarHBondContact CA-O 3.37Å; K782-G786 PolarHBondContact N-O 2.97Å; K782-G786 PolarHBondContact O-N 3.25Å; K782-G786 VanDerWaalsContact O-O 3.07Å; G786-W799 CarbonylContact C-O 3.55Å; G786-W799 WeakPolarHBondContact CA-O 3.48Å
787	L	98.2	Very high	94	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	136.3	177.6	-166.1	74.8	0	0	0	110.6	A616 V619 V764 V798 W799	A616-L787 HydrophobicContact CB-CD2 4.11Å; V619-L787 HydrophobicContact CB-CD2 4.44Å; V619-L787 HydrophobicContact CG2-CD1 4.44Å; V619-L787 HydrophobicContact CG2-CD2 4.1Å; V764-L787 HydrophobicContact CG1-CD1 4.49Å; L787-V798 PolarHBondContact O-N 3.13Å; L787-W799 HydrophobicContact CB-CE3 4.15Å; L787-W799 PolarHBondContact N-O 2.88Å; L787-W799 PolarHBondContact O-N 3.38Å
788	Y	97.8	Very high	94	Very high	48 Å²	48	52.9 Å²	52.9	19%	0.188	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	152.6	-175.5	-54.7	-94.8	0	0	0	110.2	L779 F780 K796 C797 R800	L779-Y788 VanDerWaalsContact CA-O 3.31Å; L779-Y788 WeakPolarHBondContact CA-O 3.1Å; F780-Y788 HydrophobicContact CE2-CD2 4.28Å; F780-Y788 HydrophobicContact CE2-CG 4.28Å; F780-Y788 HydrophobicContact CZ-CG 4.39Å; F780-Y788 PolarHBondContact N-O 3.44Å; F780-Y788 WeakPolarHBondContact O-CD2 2.99Å; F780-Y788 PolarHBondContact O-N 3.03Å; Y788-K796 CarbonylContact C-O 3.57Å; Y788-K796 WeakPolarHBondContact CA-O 3.18Å; Y788-C797 HydrophobicContact CD1-CB 3.8Å; Y788-C797 HydrophobicContact CE1-CB 3.77Å; Y788-R800 PolarHBondContact OH-NE 3.34Å; Y788-R800 PolarHBondContact OH-NH2 3.27Å
789	C	97.4	Very high	94	Very high	17 Å²	17	46.6 Å²	46.6	12%	0.115	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	132.6	-179.5	178.4	0	0	0	0	111	V612 R778 L779 A795 K796 V798	V612-C789 HydrophobicContact CG1-CB 4.02Å; R778-C789 WeakPolarHBondContact O-CA 3.45Å; L779-C789 HydrophobicContact CD2-CB 3.69Å; C789-A795 CarbonylContact O-C 3.49Å; C789-A795 WeakPolarHBondContact O-CA 3.38Å; C789-K796 PolarHBondContact N-O 3.26Å; C789-K796 PolarHBondContact O-N 2.99Å; C789-V798 HydrophobicContact CB-CG2 3.46Å; C789-V798 VanDerWaalsContact CB-CG2 3.46Å
790	G	92.9	Very high	94	Very high	26 Å²	26	53.5 Å²	53.5	27%	0.268	29%	0.29	S	S	.	.	S	Bend	trans	118	-150.6	-178.7	0	0	0	0	0	112.5	R778	R778-G790 PolarHBondContact O-N 3.4Å
791	I	86.6	Confident	93.8	Very high	110 Å²	110	52.9 Å²	52.9	56%	0.564	29%	0.291	S	S	*	.	S	Bend	trans	-125.2	134.1	179.7	-55.4	178.1	0	0	0	107.5	S794 A795	I791-S794 CarbonylContact O-C 3.53Å; I791-S794 PolarHBondContact O-N 3Å; I791-S794 VanDerWaalsContact O-N 3.1Å; I791-S794 PolarHBondContact O-OG 3.23Å; I791-A795 PolarHBondContact O-N 3.03Å
792	P	80.6	Confident	93.5	Very high	53 Å²	53	54.4 Å²	54.4	34%	0.344	31%	0.307	S	S	.	.	S	Bend	trans	-58.7	148.2	173.7	-24.1	33.8	0	0	0	112.9	F780	F780-P792 HydrophobicContact CE1-CG 4.14Å; F780-P792 HydrophobicContact CE2-CG 4.28Å; F780-P792 HydrophobicContact CZ-CG 3.73Å
793	P	82.3	Confident	93.3	Very high	112 Å²	112	57.7 Å²	57.7	73%	0.727	34%	0.337	S	S	*	.	S	Bend	cis	-79.4	-13.3	-4.2	32.4	-35.4	0	0	0	113.9	A795	P793-A795 PolarHBondContact O-N 2.92Å
794	S	89.5	Confident	93.1	Very high	108 Å²	108	60 Å²	60	76%	0.755	35%	0.348	S	S	*	.	S	Bend	trans	-77.1	20.4	-172.4	57.8	0	0	0	0	115.6	I791 K796	I791-S794 CarbonylContact O-C 3.53Å; I791-S794 PolarHBondContact O-N 3Å; I791-S794 VanDerWaalsContact O-N 3.1Å; I791-S794 PolarHBondContact O-OG 3.23Å; S794-K796 PolarHBondContact O-N 3.28Å
795	A	92.1	Very high	93.1	Very high	23 Å²	23	59.3 Å²	59.3	19%	0.19	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-76.2	124.7	-177.1	0	0	0	0	0	112.4	F780 C789 I791 P793	F780-A795 HydrophobicContact CE1-CB 3.54Å; F780-A795 HydrophobicContact CZ-CB 3.44Å; F780-A795 VanDerWaalsContact CZ-CB 3.44Å; C789-A795 CarbonylContact O-C 3.49Å; C789-A795 WeakPolarHBondContact O-CA 3.38Å; I791-A795 PolarHBondContact O-N 3.03Å; P793-A795 PolarHBondContact O-N 2.92Å
796	K	94.8	Very high	92.8	Very high	141 Å²	141	60.8 Å²	60.8	61%	0.613	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.7	177.5	-179	178.6	175.1	-174.6	0	110	Y788 C789 S794 V798	Y788-K796 CarbonylContact C-O 3.57Å; Y788-K796 WeakPolarHBondContact CA-O 3.18Å; C789-K796 PolarHBondContact N-O 3.26Å; C789-K796 PolarHBondContact O-N 2.99Å; S794-K796 PolarHBondContact O-N 3.28Å; K796-V798 PolarHBondContact O-N 3.21Å
797	C	96.9	Very high	92.7	Very high	54 Å²	54	65.5 Å²	65.5	37%	0.365	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	128.1	169.2	-170.5	0	0	0	0	110	Y788	Y788-C797 HydrophobicContact CD1-CB 3.8Å; Y788-C797 HydrophobicContact CE1-CB 3.77Å
798	V	97.6	Very high	92.4	Very high	29 Å²	29	68.1 Å²	68.1	18%	0.176	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-41.1	-179.9	-168.8	0	0	0	0	110.9	V612 L613 A616 L787 C789 K796	V612-V798 HydrophobicContact CG1-CB 4.47Å; V612-V798 HydrophobicContact CG1-CG1 3.87Å; V612-V798 HydrophobicContact CG1-CG2 3.75Å; L613-V798 HydrophobicContact CD2-CG1 4.03Å; A616-V798 HydrophobicContact CB-CB 4.18Å; A616-V798 HydrophobicContact CB-CG1 3.55Å; L787-V798 PolarHBondContact O-N 3.13Å; C789-V798 HydrophobicContact CB-CG2 3.46Å; C789-V798 VanDerWaalsContact CB-CG2 3.46Å; K796-V798 PolarHBondContact O-N 3.21Å
799	W	98.3	Very high	92.2	Very high	10 Å²	10	72 Å²	72	4%	0.038	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	147.8	178.8	163.9	80.2	0	0	0	110.8	Y594 L597 A616 V619 S620 W783 G786 L787 P801	Y594-W799 AromaticContact CD1-CD1 3.77Å; Y594-W799 AromaticContact CD1-NE1 3.24Å; Y594-W799 AromaticContact CD2-NE1 3.65Å; Y594-W799 AromaticContact CE1-NE1 3.5Å; Y594-W799 HydrophobicContact CE2-CZ2 4.26Å; Y594-W799 AromaticContact CE2-NE1 3.91Å; Y594-W799 AromaticContact CG-CD1 3.93Å; Y594-W799 AromaticContact CG-NE1 3.32Å; Y594-W799 VanDerWaalsContact CG-NE1 3.32Å; Y594-W799 AromaticContact CZ-NE1 3.85Å; L597-W799 HydrophobicContact CD1-CB 4.11Å; L597-W799 HydrophobicContact CD1-CG 4.08Å; L597-W799 HydrophobicContact CD2-CB 4.37Å; A616-W799 HydrophobicContact CB-CB 3.95Å; V619-W799 HydrophobicContact CG1-CZ3 4.13Å; S620-W799 VanDerWaalsContact CB-CE2 3.46Å; W783-W799 WeakPolarHBondContact O-CH2 3.37Å; G786-W799 CarbonylContact C-O 3.55Å; G786-W799 WeakPolarHBondContact CA-O 3.48Å; L787-W799 HydrophobicContact CB-CE3 4.15Å; L787-W799 PolarHBondContact N-O 2.88Å; L787-W799 PolarHBondContact O-N 3.38Å; W799-P801 HydrophobicContact CH2-CB 4.39Å; W799-P801 HydrophobicContact CH2-CG 4.41Å; W799-P801 HydrophobicContact CZ2-CB 3.9Å; W799-P801 HydrophobicContact CZ2-CG 4.34Å
800	R	96.9	Very high	92	Very high	148 Å²	148	75.4 Å²	75.4	56%	0.558	43%	0.434	S	S	*	.			trans	-139.6	149.6	165.3	-76.2	178.7	175.2	172.4	-3	108	Y788	Y788-R800 PolarHBondContact OH-NE 3.34Å; Y788-R800 PolarHBondContact OH-NH2 3.27Å
801	P	94.6	Very high	92.1	Very high	40 Å²	40	76.2 Å²	76.2	26%	0.26	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-65.6	155.3	171.5	29.5	-33.6	0	0	0	111.1	Y594 E785 W799	Y594-P801 VanDerWaalsContact OH-CA 3.29Å; Y594-P801 WeakPolarHBondContact OH-CA 3.31Å; E785-P801 WeakPolarHBondContact O-CD 3.31Å; W799-P801 HydrophobicContact CH2-CB 4.39Å; W799-P801 HydrophobicContact CH2-CG 4.41Å; W799-P801 HydrophobicContact CZ2-CB 3.9Å; W799-P801 HydrophobicContact CZ2-CG 4.34Å
802	G	89.6	Confident	92.5	Very high	46 Å²	46	71.6 Å²	71.6	47%	0.474	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-68.2	161.1	169.4	0	0	0	0	0	112	Y594 M804	Y594-G802 PolarHBondContact OH-N 3.26Å; G802-M804 PolarHBondContact O-N 2.99Å
803	S	90.6	Very high	93.2	Very high	122 Å²	122	69.2 Å²	69.2	85%	0.853	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-61.4	134.2	170.4	-56.2	0	0	0	0	110.5
804	M	94.3	Very high	93.9	Very high	47 Å²	47	63.9 Å²	63.9	23%	0.232	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-61.4	146	172.7	-65.6	-60.1	-69	0	0	110.5	Y627 G802 Y808 G813 F814 T815	Y627-M804 HydrophobicContact CD2-CE 3.72Å; Y627-M804 HydrophobicContact CD2-CG 3.97Å; Y627-M804 HydrophobicContact CD2-SD 3.73Å; Y627-M804 HydrophobicContact CE2-CE 4.32Å; Y627-M804 HydrophobicContact CE2-CG 3.57Å; Y627-M804 HydrophobicContact CE2-SD 3.83Å; Y627-M804 HydrophobicContact CG-CE 4.26Å; G802-M804 PolarHBondContact O-N 2.99Å; M804-Y808 HydrophobicContact CB-CD1 3.64Å; M804-Y808 HydrophobicContact CB-CE1 4.22Å; M804-Y808 HydrophobicContact CB-CG 3.88Å; M804-Y808 HydrophobicContact CE-CD2 3.87Å; M804-Y808 HydrophobicContact CE-CG 3.91Å; M804-Y808 HydrophobicContact CG-CD1 4.39Å; M804-Y808 HydrophobicContact CG-CG 4.37Å; M804-G813 WeakPolarHBondContact CE-O 3.46Å; M804-F814 VanDerWaalsContact CE-O 3.25Å; M804-F814 WeakPolarHBondContact CE-O 3.29Å; M804-T815 HydrophobicContact CE-CG2 4.42Å; M804-T815 HydrophobicContact SD-CG2 4.06Å
805	P	93.1	Very high	94.2	Very high	22 Å²	22	59.1 Å²	59.1	14%	0.143	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-55.8	153.5	171.3	-23.8	34	0	0	0	112.2	D807 Y808 R816 I819	P805-D807 PolarHBondContact O-N 3.49Å; P805-Y808 WeakPolarHBondContact O-CB 3.17Å; P805-Y808 WeakPolarHBondContact O-CD1 3.38Å; P805-Y808 PolarHBondContact O-N 3.26Å; P805-R816 HydrophobicContact CG-CB 4.18Å; P805-I819 HydrophobicContact CB-CD1 4.18Å; P805-I819 HydrophobicContact CG-CD1 3.85Å
806	T	90.2	Very high	94.4	Very high	121 Å²	121	61.8 Å²	61.8	74%	0.742	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	141.2	163.9	-45.3	0	0	0	0	109.3	Y808	T806-Y808 PolarHBondContact O-N 3.03Å
807	D	92.1	Very high	94.5	Very high	98 Å²	98	55.3 Å²	55.3	52%	0.524	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.9	26	-179.9	-49.9	-42.2	0	0	0	115.4	P805 E809 L810 Y811	P805-D807 PolarHBondContact O-N 3.49Å; D807-E809 PolarHBondContact O-N 3.1Å; D807-L810 HydrophobicContact CB-CB 4.41Å; D807-L810 HydrophobicContact CB-CD1 4.02Å; D807-L810 HydrophobicContact CB-CG 4.18Å; D807-L810 WeakPolarHBondContact O-CB 3.47Å; D807-L810 PolarHBondContact O-N 2.93Å; D807-Y811 HydrophobicContact CB-CE2 4.36Å; D807-Y811 WeakPolarHBondContact O-CD2 3.44Å; D807-Y811 PolarHBondContact O-N 3.4Å
808	Y	93.3	Very high	94.5	Very high	56 Å²	56	52.8 Å²	52.8	22%	0.22	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-29.6	176.5	70.4	-90	0	0	0	113.7	Y627 M804 P805 T806 Y811 G813	Y627-Y808 HydrophobicContact CD1-CD2 4.2Å; Y627-Y808 AromaticContact CD1-CE2 3.43Å; Y627-Y808 HydrophobicContact CD1-CE2 3.43Å; Y627-Y808 VanDerWaalsContact CD1-CE2 3.43Å; Y627-Y808 AromaticContact CE1-CE2 3.78Å; Y627-Y808 HydrophobicContact CE1-CE2 3.78Å; Y627-Y808 AromaticContact CE1-CZ 4Å; Y627-Y808 HydrophobicContact CG-CD2 4.21Å; Y627-Y808 AromaticContact CG-CE2 3.9Å; Y627-Y808 HydrophobicContact CG-CE2 3.9Å; M804-Y808 HydrophobicContact CB-CD1 3.64Å; M804-Y808 HydrophobicContact CB-CE1 4.22Å; M804-Y808 HydrophobicContact CB-CG 3.88Å; M804-Y808 HydrophobicContact CE-CD2 3.87Å; M804-Y808 HydrophobicContact CE-CG 3.91Å; M804-Y808 HydrophobicContact CG-CD1 4.39Å; M804-Y808 HydrophobicContact CG-CG 4.37Å; P805-Y808 WeakPolarHBondContact O-CB 3.17Å; P805-Y808 WeakPolarHBondContact O-CD1 3.38Å; P805-Y808 PolarHBondContact O-N 3.26Å; T806-Y808 PolarHBondContact O-N 3.03Å; Y808-Y811 CarbonylContact O-C 3.55Å; Y808-Y811 PolarHBondContact O-N 2.75Å; Y808-Y811 VanDerWaalsContact O-N 3.16Å; Y808-G813 VanDerWaalsContact O-CA 3.27Å; Y808-G813 WeakPolarHBondContact O-CA 3.4Å; Y808-G813 PolarHBondContact O-N 3.11Å
809	E	92.3	Very high	94.5	Very high	129 Å²	129	51.4 Å²	51.4	60%	0.603	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-29.9	177.1	-58.3	-164.5	162.2	0	0	112.9	D807 Y811	D807-E809 PolarHBondContact O-N 3.1Å; E809-Y811 VanDerWaalsContact C-N 3.28Å
810	L	93.2	Very high	94.4	Very high	89 Å²	89	51.3 Å²	51.3	47%	0.466	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-22.9	170.8	-58.6	-173.2	0	0	0	112	P548 C549 D807	P548-L810 CarbonylContact C-O 3.47Å; P548-L810 VanDerWaalsContact CA-O 3.26Å; P548-L810 WeakPolarHBondContact CA-O 3.5Å; P548-L810 HydrophobicContact CB-CB 4.15Å; C549-L810 PolarHBondContact N-O 3.48Å; C549-L810 PolarHBondContact SG-O 3.42Å; C549-L810 VanDerWaalsContact SG-O 3.42Å; D807-L810 HydrophobicContact CB-CB 4.41Å; D807-L810 HydrophobicContact CB-CD1 4.02Å; D807-L810 HydrophobicContact CB-CG 4.18Å; D807-L810 WeakPolarHBondContact O-CB 3.47Å; D807-L810 PolarHBondContact O-N 2.93Å
811	Y	95.3	Very high	94.4	Very high	42 Å²	42	44.3 Å²	44.3	17%	0.165	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	53.2	-176.2	-60.2	-58.4	0	0	0	111.7	C544 L545 D807 Y808 E809 G813 F814	C544-Y811 HydrophobicContact CB-CD2 4.47Å; C544-Y811 HydrophobicContact CB-CE1 4.41Å; C544-Y811 HydrophobicContact CB-CE2 3.77Å; L545-Y811 HydrophobicContact CB-CD1 3.61Å; L545-Y811 HydrophobicContact CB-CE1 3.91Å; L545-Y811 HydrophobicContact CB-CG 4.49Å; L545-Y811 HydrophobicContact CD1-CD1 4.07Å; L545-Y811 HydrophobicContact CG-CD1 3.83Å; L545-Y811 HydrophobicContact CG-CG 4.3Å; L545-Y811 WeakPolarHBondContact O-CE1 3.46Å; D807-Y811 HydrophobicContact CB-CE2 4.36Å; D807-Y811 WeakPolarHBondContact O-CD2 3.44Å; D807-Y811 PolarHBondContact O-N 3.4Å; Y808-Y811 CarbonylContact O-C 3.55Å; Y808-Y811 PolarHBondContact O-N 2.75Å; Y808-Y811 VanDerWaalsContact O-N 3.16Å; E809-Y811 VanDerWaalsContact C-N 3.28Å; Y811-G813 PolarHBondContact O-N 2.65Å; Y811-F814 VanDerWaalsContact O-CB 3.32Å; Y811-F814 WeakPolarHBondContact O-CB 3.38Å; Y811-F814 VanDerWaalsContact O-CG 3.3Å; Y811-F814 WeakPolarHBondContact O-CG 3.44Å; Y811-F814 PolarHBondContact O-N 2.88Å
812	Y	94.8	Very high	94.6	Very high	13 Å²	13	42.4 Å²	42.4	5%	0.051	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	15.3	172.7	-58.3	-95.6	0	0	0	115.5	L545 C549 P550 N579 E580 P581 R628 F814 L846	L545-Y812 HydrophobicContact CD1-CD2 3.75Å; L545-Y812 HydrophobicContact CD1-CE2 4.02Å; C549-Y812 HydrophobicContact CB-CD1 3.62Å; C549-Y812 HydrophobicContact CB-CD2 3.82Å; C549-Y812 HydrophobicContact CB-CE1 3.48Å; C549-Y812 VanDerWaalsContact CB-CE1 3.48Å; C549-Y812 HydrophobicContact CB-CE2 3.67Å; C549-Y812 HydrophobicContact CB-CG 3.79Å; P550-Y812 VanDerWaalsContact CD-OH 3.23Å; P550-Y812 WeakPolarHBondContact CD-OH 3.36Å; N579-Y812 WeakPolarHBondContact O-CE1 3.27Å; E580-Y812 HydrophobicContact CB-CD1 4.06Å; E580-Y812 HydrophobicContact CB-CG 4.38Å; P581-Y812 VanDerWaalsContact CD-CE2 3.43Å; P581-Y812 VanDerWaalsContact CD-CZ 3.49Å; P581-Y812 HydrophobicContact CG-CD2 3.92Å; P581-Y812 HydrophobicContact CG-CE2 3.66Å; R628-Y812 WeakPolarHBondContact CG-O 3.31Å; Y812-F814 VanDerWaalsContact CB-CE1 3.48Å; Y812-F814 HydrophobicContact CG-CE1 4.32Å; Y812-L846 PolarHBondContact OH-O 3.23Å
813	G	95.1	Very high	94.9	Very high	3 Å²	3	41.6 Å²	41.6	3%	0.031	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	21.3	-173.6	0	0	0	0	0	114.4	R628 M804 Y808 Y811	R628-G813 WeakPolarHBondContact CD-O 3.38Å; R628-G813 VanDerWaalsContact CG-O 3.25Å; R628-G813 WeakPolarHBondContact CG-O 3.43Å; M804-G813 WeakPolarHBondContact CE-O 3.46Å; Y808-G813 VanDerWaalsContact O-CA 3.27Å; Y808-G813 WeakPolarHBondContact O-CA 3.4Å; Y808-G813 PolarHBondContact O-N 3.11Å; Y811-G813 PolarHBondContact O-N 2.65Å
814	F	97.5	Very high	95	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.192	C	C	.	.			trans	-71.1	139.6	-174.6	-74.4	9.5	0	0	0	113.1	L545 E580 P581 L582 R628 M804 Y811 Y812 A818 I819	L545-F814 HydrophobicContact CD1-CD2 4.08Å; L545-F814 HydrophobicContact CD1-CE2 3.97Å; L545-F814 HydrophobicContact CD2-CD2 4.36Å; L545-F814 HydrophobicContact CD2-CE2 4.41Å; E580-F814 HydrophobicContact CB-CE1 3.91Å; E580-F814 HydrophobicContact CB-CZ 4.05Å; E580-F814 HydrophobicContact CG-CE1 4.37Å; P581-F814 HydrophobicContact CG-CE2 4.08Å; P581-F814 HydrophobicContact CG-CZ 3.93Å; L582-F814 HydrophobicContact CB-CZ 4.39Å; L582-F814 HydrophobicContact CD1-CD2 4.21Å; L582-F814 HydrophobicContact CD1-CE1 4.1Å; L582-F814 HydrophobicContact CD1-CE2 3.58Å; L582-F814 HydrophobicContact CD1-CZ 3.52Å; L582-F814 HydrophobicContact CG-CE2 3.83Å; L582-F814 HydrophobicContact CG-CZ 3.7Å; R628-F814 VanDerWaalsContact CZ-CD1 3.48Å; R628-F814 VanDerWaalsContact NH2-CE1 3.32Å; M804-F814 VanDerWaalsContact CE-O 3.25Å; M804-F814 WeakPolarHBondContact CE-O 3.29Å; Y811-F814 VanDerWaalsContact O-CB 3.32Å; Y811-F814 WeakPolarHBondContact O-CB 3.38Å; Y811-F814 VanDerWaalsContact O-CG 3.3Å; Y811-F814 WeakPolarHBondContact O-CG 3.44Å; Y811-F814 PolarHBondContact O-N 2.88Å; Y812-F814 VanDerWaalsContact CB-CE1 3.48Å; Y812-F814 HydrophobicContact CG-CE1 4.32Å; F814-A818 HydrophobicContact CB-CB 3.93Å; F814-A818 HydrophobicContact CD2-CB 4.25Å; F814-A818 HydrophobicContact CG-CB 4.02Å; F814-I819 HydrophobicContact CB-CG1 3.77Å; F814-I819 HydrophobicContact CD2-CG1 4.25Å
815	T	96.8	Very high	94.6	Very high	8 Å²	8	38.4 Å²	38.4	5%	0.049	20%	0.195	C	C	.	.			trans	-70.6	166.7	165	63.7	0	0	0	0	110.3	E593 M804 F817 A818 I819	E593-T815 VanDerWaalsContact CD-OG1 3.29Å; E593-T815 VanDerWaalsContact OE1-CB 3.25Å; E593-T815 WeakPolarHBondContact OE1-CB 3.28Å; E593-T815 PolarHBondContact OE1-OG1 2.99Å; E593-T815 VanDerWaalsContact OE2-CB 3.31Å; E593-T815 WeakPolarHBondContact OE2-CB 3.46Å; E593-T815 WeakPolarHBondContact OE2-CG2 3.41Å; E593-T815 PolarHBondContact OE2-OG1 3.48Å; M804-T815 HydrophobicContact CE-CG2 4.42Å; M804-T815 HydrophobicContact SD-CG2 4.06Å; T815-F817 PolarHBondContact O-N 3.41Å; T815-A818 PolarHBondContact O-N 3.42Å; T815-A818 VanDerWaalsContact O-N 3.16Å; T815-A818 PolarHBondContact OG1-N 2.93Å; T815-I819 PolarHBondContact O-N 3.28Å
816	R	94.7	Very high	94.2	Very high	79 Å²	79	42 Å²	42	30%	0.298	22%	0.218	S	C	.	.	H	α-helix	trans	-56.6	-39.8	175	174.2	58.7	-165.4	-145	10.2	111.4	R541 R542 I543 P805 E820	R541-R816 PolarHBondContact O-NH2 2.97Å; R542-R816 PolarHBondContact O-NH2 3.26Å; I543-R816 VanDerWaalsContact CG2-NH1 3.3Å; P805-R816 HydrophobicContact CG-CB 4.18Å; R816-E820 IonicContact CZ-OE1 3.44Å; R816-E820 VanDerWaalsContact CZ-OE1 3.24Å; R816-E820 IonicContact NE-OE1 3.68Å; R816-E820 PolarHBondContact NE-OE1 3.3Å; R816-E820 IonicContact NH2-OE1 3.38Å; R816-E820 PolarHBondContact NH2-OE1 2.95Å; R816-E820 WeakPolarHBondContact O-CG 3.42Å; R816-E820 PolarHBondContact O-N 2.83Å
817	F	97	Very high	93.9	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.026	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-43	177.4	-171.4	-94.7	0	0	0	112.2	C589 E593 R646 K649 F651 T815 I819 E820 L821	C589-F817 VanDerWaalsContact O-CE1 3.3Å; C589-F817 WeakPolarHBondContact O-CE1 3.37Å; E593-F817 HydrophobicContact CB-CB 3.98Å; E593-F817 HydrophobicContact CB-CD1 3.92Å; E593-F817 HydrophobicContact CB-CD2 4.37Å; E593-F817 HydrophobicContact CB-CE1 4.49Å; E593-F817 HydrophobicContact CB-CG 3.85Å; E593-F817 HydrophobicContact CG-CB 3.54Å; E593-F817 HydrophobicContact CG-CD1 4.44Å; E593-F817 HydrophobicContact CG-CD2 4.44Å; E593-F817 HydrophobicContact CG-CG 3.93Å; E593-F817 VanDerWaalsContact OE1-CB 3.27Å; E593-F817 WeakPolarHBondContact OE1-CB 3.34Å; R646-F817 HydrophobicContact CG-CE2 4.31Å; K649-F817 HydrophobicContact CD-CE2 4.26Å; F651-F817 HydrophobicContact CZ-CE2 4.4Å; F651-F817 HydrophobicContact CZ-CZ 4.13Å; T815-F817 PolarHBondContact O-N 3.41Å; F817-I819 VanDerWaalsContact C-N 3.35Å; F817-I819 PolarHBondContact O-N 3.39Å; F817-E820 WeakPolarHBondContact O-CB 3.44Å; F817-E820 PolarHBondContact O-N 3.43Å; F817-L821 HydrophobicContact CD1-CD1 4.49Å; F817-L821 HydrophobicContact CD1-CD2 4.17Å; F817-L821 HydrophobicContact CD1-CG 4.42Å; F817-L821 HydrophobicContact CE1-CD1 4.47Å; F817-L821 HydrophobicContact CE1-CD2 3.69Å; F817-L821 HydrophobicContact CE1-CG 4.39Å; F817-L821 HydrophobicContact CZ-CD2 4.21Å
818	A	97.8	Very high	93.6	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-62.6	-37.5	178	0	0	0	0	0	112.9	L582 E590 F814 T815 E820 L821	L582-A818 HydrophobicContact CD1-CB 4.11Å; E590-A818 HydrophobicContact CG-CB 4.49Å; F814-A818 HydrophobicContact CB-CB 3.93Å; F814-A818 HydrophobicContact CD2-CB 4.25Å; F814-A818 HydrophobicContact CG-CB 4.02Å; T815-A818 PolarHBondContact O-N 3.42Å; T815-A818 VanDerWaalsContact O-N 3.16Å; T815-A818 PolarHBondContact OG1-N 2.93Å; A818-E820 PolarHBondContact O-N 2.97Å; A818-L821 PolarHBondContact O-N 2.84Å
819	I	97.3	Very high	93.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-57.1	-35.2	171.7	-70.1	177.2	0	0	0	111.3	R542 L545 P805 F814 T815 F817 L821	R542-I819 HydrophobicContact CG-CG2 4.17Å; R542-I819 PolarHBondContact NE-O 3.47Å; R542-I819 PolarHBondContact NH2-O 2.91Å; L545-I819 HydrophobicContact CD2-CG2 4.39Å; P805-I819 HydrophobicContact CB-CD1 4.18Å; P805-I819 HydrophobicContact CG-CD1 3.85Å; F814-I819 HydrophobicContact CB-CG1 3.77Å; F814-I819 HydrophobicContact CD2-CG1 4.25Å; T815-I819 PolarHBondContact O-N 3.28Å; F817-I819 VanDerWaalsContact C-N 3.35Å; F817-I819 PolarHBondContact O-N 3.39Å; I819-L821 PolarHBondContact O-N 3.01Å
820	E	96.5	Very high	93	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.037	22%	0.22	C	C	.	.	H	α-helix	trans	-80.2	-11.5	-175.7	-64.6	175.5	157.6	0	0	114.2	N539 R541 R646 R816 F817 A818	N539-E820 PolarHBondContact ND2-OE1 3.44Å; N539-E820 VanDerWaalsContact ND2-OE1 3.08Å; R541-E820 HydrophobicContact CB-CB 4.48Å; R541-E820 HydrophobicContact CB-CG 3.8Å; R541-E820 WeakPolarHBondContact CB-OE1 3.4Å; R541-E820 VanDerWaalsContact CD-CD 3.44Å; R646-E820 IonicContact CZ-OE2 1.95Å; R646-E820 IonicContact NH1-OE2 3.49Å; R646-E820 PolarHBondContact NH1-OE2 3.49Å; R646-E820 IonicContact NH2-OE2 2.77Å; R646-E820 PolarHBondContact NH2-OE2 3.42Å; R816-E820 IonicContact CZ-OE1 3.44Å; R816-E820 VanDerWaalsContact CZ-OE1 3.24Å; R816-E820 IonicContact NE-OE1 3.68Å; R816-E820 PolarHBondContact NE-OE1 3.3Å; R816-E820 IonicContact NH2-OE1 3.38Å; R816-E820 PolarHBondContact NH2-OE1 2.95Å; R816-E820 WeakPolarHBondContact O-CG 3.42Å; R816-E820 PolarHBondContact O-N 2.83Å; F817-E820 WeakPolarHBondContact O-CB 3.44Å; F817-E820 PolarHBondContact O-N 3.43Å; A818-E820 PolarHBondContact O-N 2.97Å
821	L	97.6	Very high	92.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-73	-43.7	-168.3	-68.8	178.1	0	0	0	115.3	L582 Q586 C589 E590 Y642 F817 A818 I819 E823 R838	L582-L821 HydrophobicContact CD1-CD1 4.31Å; L582-L821 HydrophobicContact CD2-CB 3.81Å; L582-L821 HydrophobicContact CD2-CD1 4.49Å; Q586-L821 HydrophobicContact CB-CD1 4.22Å; C589-L821 HydrophobicContact CB-CD2 4.3Å; E590-L821 HydrophobicContact CG-CD1 3.58Å; Y642-L821 HydrophobicContact CE1-CD2 4.41Å; Y642-L821 WeakPolarHBondContact CE2-O 3.38Å; Y642-L821 WeakPolarHBondContact OH-CA 3.44Å; Y642-L821 VanDerWaalsContact OH-CD2 3.28Å; Y642-L821 WeakPolarHBondContact OH-CD2 3.35Å; Y642-L821 PolarHBondContact OH-O 3.22Å; F817-L821 HydrophobicContact CD1-CD1 4.49Å; F817-L821 HydrophobicContact CD1-CD2 4.17Å; F817-L821 HydrophobicContact CD1-CG 4.42Å; F817-L821 HydrophobicContact CE1-CD1 4.47Å; F817-L821 HydrophobicContact CE1-CD2 3.69Å; F817-L821 HydrophobicContact CE1-CG 4.39Å; F817-L821 HydrophobicContact CZ-CD2 4.21Å; A818-L821 PolarHBondContact O-N 2.84Å; I819-L821 PolarHBondContact O-N 3.01Å; L821-E823 VanDerWaalsContact C-N 3.32Å; L821-R838 PolarHBondContact O-NH2 2.8Å
822	N	97.8	Very high	92.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	8.8	-177.3	-150.5	45.7	0	0	0	113.8	L582 Q586 L824 Q843 R844 E847	L582-N822 HydrophobicContact CD2-CB 3.95Å; Q586-N822 PolarHBondContact NE2-OD1 3.29Å; N822-L824 PolarHBondContact O-N 3.47Å; N822-Q843 PolarHBondContact OD1-NE2 2.87Å; N822-R844 PolarHBondContact ND2-NH1 3.45Å; N822-R844 PolarHBondContact O-NH1 3.32Å; N822-R844 PolarHBondContact O-NH2 2.86Å; N822-E847 PolarHBondContact ND2-OE2 2.94Å
823	E	95.7	Very high	92.7	Very high	29 Å²	29	38.3 Å²	38.3	14%	0.136	20%	0.198	C	C	.	.			trans	-62	131	174.5	-174	165.2	-137	0	0	110.8	R541 R542 L821 R838	R541-E823 WeakPolarHBondContact CA-OE2 3.36Å; R541-E823 WeakPolarHBondContact CB-OE2 3.3Å; R542-E823 WeakPolarHBondContact CB-OE1 3.34Å; R542-E823 HydrophobicContact CG-CB 4.36Å; R542-E823 HydrophobicContact CG-CG 4.27Å; R542-E823 WeakPolarHBondContact CG-OE1 3.26Å; R542-E823 PolarHBondContact N-OE1 3.37Å; R542-E823 PolarHBondContact N-OE2 3.36Å; L821-E823 VanDerWaalsContact C-N 3.32Å; E823-R838 WeakPolarHBondContact O-CD 3.49Å; E823-R838 PolarHBondContact O-NE 3.26Å
824	L	92.9	Very high	92.5	Very high	60 Å²	60	48 Å²	48	31%	0.314	23%	0.233	S	C	.	.			trans	-125.3	88.1	-179	179.4	59.7	0	0	0	109.8	N822 L828 L832 R838 F839	N822-L824 PolarHBondContact O-N 3.47Å; L824-L828 HydrophobicContact CD1-CB 4.27Å; L824-L832 HydrophobicContact CD1-CD1 3.73Å; L824-R838 HydrophobicContact CB-CB 4.19Å; L824-R838 HydrophobicContact CD1-CB 4.07Å; L824-R838 HydrophobicContact CD2-CB 4.32Å; L824-R838 HydrophobicContact CG-CB 4.42Å; L824-F839 HydrophobicContact CD1-CE1 4.04Å; L824-F839 HydrophobicContact CD2-CD1 3.9Å; L824-F839 HydrophobicContact CD2-CE1 3.91Å
825	C	85.7	Confident	92.4	Very high	43 Å²	43	48.4 Å²	48.4	29%	0.291	24%	0.236	S	C	.	.			trans	-70.6	151.2	173.2	-49.7	0	0	0	0	110.8	E827 L828	C825-E827 VanDerWaalsContact CB-OE2 3.24Å; C825-E827 WeakPolarHBondContact CB-OE2 3.44Å; C825-E827 PolarHBondContact O-N 3.35Å; C825-L828 HydrophobicContact CB-CD1 4.37Å; C825-L828 HydrophobicContact CB-CG 4.49Å; C825-L828 PolarHBondContact O-N 2.87Å; C825-L828 VanDerWaalsContact O-N 3.11Å
826	P	85.4	Confident	92.4	Very high	97 Å²	97	48 Å²	48	63%	0.63	23%	0.234	S	C	*	.	H	α-helix	trans	-52.9	-37.2	178.3	-27	35.6	0	0	0	113.9	L828 K829	P826-L828 VanDerWaalsContact C-N 3.3Å; P826-L828 PolarHBondContact O-N 3.24Å; P826-K829 WeakPolarHBondContact O-CB 3.27Å; P826-K829 PolarHBondContact O-N 3.03Å; P826-K829 VanDerWaalsContact O-N 3.15Å
827	E	83	Confident	92.5	Very high	145 Å²	145	44.3 Å²	44.3	68%	0.678	22%	0.22	S	C	*	.	H	α-helix	trans	-70.8	-25.8	-176.2	-54.2	70.9	-154	0	0	112.5	C825 K829	C825-E827 VanDerWaalsContact CB-OE2 3.24Å; C825-E827 WeakPolarHBondContact CB-OE2 3.44Å; C825-E827 PolarHBondContact O-N 3.35Å; E827-K829 VanDerWaalsContact C-N 3.35Å
828	L	86.9	Confident	92.5	Very high	45 Å²	45	44.6 Å²	44.6	24%	0.236	22%	0.221	C	C	.	.	H	α-helix	trans	-74.9	-27.7	174.1	-69.8	172.5	0	0	0	111.6	L824 C825 P826 D830 A831 L832	L824-L828 HydrophobicContact CD1-CB 4.27Å; C825-L828 HydrophobicContact CB-CD1 4.37Å; C825-L828 HydrophobicContact CB-CG 4.49Å; C825-L828 PolarHBondContact O-N 2.87Å; C825-L828 VanDerWaalsContact O-N 3.11Å; P826-L828 VanDerWaalsContact C-N 3.3Å; P826-L828 PolarHBondContact O-N 3.24Å; L828-D830 VanDerWaalsContact C-N 3.26Å; L828-D830 PolarHBondContact O-N 3.46Å; L828-A831 PolarHBondContact O-N 3.03Å; L828-L832 HydrophobicContact CB-CD1 3.88Å; L828-L832 HydrophobicContact CB-CG 4.19Å; L828-L832 WeakPolarHBondContact O-CB 3.37Å; L828-L832 VanDerWaalsContact O-CG 3.22Å; L828-L832 WeakPolarHBondContact O-CG 3.18Å; L828-L832 PolarHBondContact O-N 3.16Å
829	K	86.1	Confident	92.5	Very high	132 Å²	132	47 Å²	47	57%	0.574	23%	0.231	S	C	*	.	H	α-helix	trans	-57.7	-37.4	-171.5	-174.1	176.3	178.2	-178.8	0	113.6	P826 E827 F839	P826-K829 WeakPolarHBondContact O-CB 3.27Å; P826-K829 PolarHBondContact O-N 3.03Å; P826-K829 VanDerWaalsContact O-N 3.15Å; E827-K829 VanDerWaalsContact C-N 3.35Å; K829-F839 HydrophobicContact CG-CE1 4.13Å; K829-F839 HydrophobicContact CG-CZ 4.35Å
830	D	86.8	Confident	92.5	Very high	117 Å²	117	47 Å²	47	63%	0.626	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.9	-177.7	-59.4	-29.4	0	0	0	113.1	L828	L828-D830 VanDerWaalsContact C-N 3.26Å; L828-D830 PolarHBondContact O-N 3.46Å
831	A	89.6	Confident	92.5	Very high	19 Å²	19	47.8 Å²	47.8	16%	0.157	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.2	-20	178.4	0	0	0	0	0	113.8	L828 F911	L828-A831 PolarHBondContact O-N 3.03Å; A831-F911 WeakPolarHBondContact O-CD2 3.42Å
832	L	92.7	Very high	92.5	Very high	9 Å²	9	47.8 Å²	47.8	5%	0.047	24%	0.237	C	C	.	.	S	Bend	trans	-82	145.5	179.7	-72.4	172.6	0	0	0	112.1	E643 L824 L828 D836 F839	E643-L832 HydrophobicContact CG-CD2 3.3Å; E643-L832 WeakPolarHBondContact OE1-CD2 3.41Å; L824-L832 HydrophobicContact CD1-CD1 3.73Å; L828-L832 HydrophobicContact CB-CD1 3.88Å; L828-L832 HydrophobicContact CB-CG 4.19Å; L828-L832 WeakPolarHBondContact O-CB 3.37Å; L828-L832 VanDerWaalsContact O-CG 3.22Å; L828-L832 WeakPolarHBondContact O-CG 3.18Å; L828-L832 PolarHBondContact O-N 3.16Å; L832-D836 HydrophobicContact CB-CB 4.2Å; L832-D836 HydrophobicContact CD1-CB 4.37Å; L832-D836 HydrophobicContact CD2-CB 4.14Å; L832-D836 HydrophobicContact CG-CB 4.48Å; L832-F839 HydrophobicContact CB-CE2 3.59Å; L832-F839 HydrophobicContact CB-CZ 3.9Å; L832-F839 HydrophobicContact CD1-CE2 4.21Å; L832-F839 HydrophobicContact CD1-CZ 4.11Å
833	P	92.9	Very high	92.5	Very high	4 Å²	4	47.8 Å²	47.8	3%	0.026	24%	0.237	C	C	.	.			trans	-68	149.6	169.4	31.9	-33.9	0	0	0	109.7	T835 D836 F839 Y902 F911	P833-T835 PolarHBondContact O-N 3.36Å; P833-D836 HydrophobicContact CG-CB 4.33Å; P833-D836 WeakPolarHBondContact O-CB 3.03Å; P833-D836 PolarHBondContact O-N 3.2Å; P833-F839 WeakPolarHBondContact O-CE2 3.29Å; P833-Y902 WeakPolarHBondContact CD-OH 3.36Å; P833-Y902 HydrophobicContact CG-CE2 4.38Å; P833-F911 HydrophobicContact CB-CD1 4.31Å; P833-F911 HydrophobicContact CB-CD2 3.89Å; P833-F911 HydrophobicContact CB-CE2 4.11Å; P833-F911 HydrophobicContact CB-CG 4Å; P833-F911 HydrophobicContact CB-CZ 4.41Å; P833-F911 HydrophobicContact CG-CD2 4.29Å; P833-F911 HydrophobicContact CG-CE2 4.07Å; P833-F911 HydrophobicContact CG-CZ 4.41Å
834	R	92.2	Very high	92.6	Very high	205 Å²	205	48.1 Å²	48.1	77%	0.774	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-8.1	175.9	-69.3	-171.4	177.7	-144.8	0.2	114.9	W921	R834-W921 WeakPolarHBondContact O-CZ2 3.01Å
835	T	94.8	Very high	92.9	Very high	10 Å²	10	48.7 Å²	48.7	6%	0.061	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-1.3	177.5	52.5	0	0	0	0	113.4	T641 P833 L920	T641-T835 PolarHBondContact N-O 2.98Å; T641-T835 WeakPolarHBondContact OG1-CB 3.23Å; T641-T835 PolarHBondContact OG1-O 3.2Å; T641-T835 VanDerWaalsContact OG1-O 3.05Å; T641-T835 PolarHBondContact OG1-OG1 2.75Å; P833-T835 PolarHBondContact O-N 3.36Å; T835-L920 HydrophobicContact CG2-CD1 3.66Å; T835-L920 HydrophobicContact CG2-CG 4.12Å
836	D	96.9	Very high	93.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-66.1	134.7	178.9	-169.8	-94.9	0	0	0	112.3	T641 Y642 E643 L832 P833 R838 F839	T641-D836 CarbonylContact O-C 3.56Å; T641-D836 VanDerWaalsContact O-CA 3.29Å; T641-D836 WeakPolarHBondContact O-CA 3.48Å; T641-D836 PolarHBondContact OG1-N 2.76Å; Y642-D836 VanDerWaalsContact CA-OD2 3.31Å; Y642-D836 WeakPolarHBondContact CA-OD2 3.49Å; E643-D836 PolarHBondContact N-OD2 2.9Å; L832-D836 HydrophobicContact CB-CB 4.2Å; L832-D836 HydrophobicContact CD1-CB 4.37Å; L832-D836 HydrophobicContact CD2-CB 4.14Å; L832-D836 HydrophobicContact CG-CB 4.48Å; P833-D836 HydrophobicContact CG-CB 4.33Å; P833-D836 WeakPolarHBondContact O-CB 3.03Å; P833-D836 PolarHBondContact O-N 3.2Å; D836-R838 PolarHBondContact O-N 2.99Å; D836-R838 VanDerWaalsContact OD1-CB 3.24Å; D836-R838 WeakPolarHBondContact OD1-CB 3.2Å; D836-R838 WeakPolarHBondContact OD1-CD 3.24Å; D836-R838 WeakPolarHBondContact OD1-CG 3.18Å; D836-R838 IonicContact OD1-CZ 3.22Å; D836-R838 PolarHBondContact OD1-N 2.89Å; D836-R838 IonicContact OD1-NH1 3.78Å; D836-R838 PolarHBondContact OD1-NH1 2.67Å; D836-R838 IonicContact OD2-NH1 2.91Å; D836-R838 PolarHBondContact OD2-NH1 2.96Å; D836-F839 HydrophobicContact CB-CD2 4.16Å; D836-F839 HydrophobicContact CB-CE2 4.42Å; D836-F839 PolarHBondContact O-N 3.1Å
837	A	97.6	Very high	94	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-54.7	-25	-178.4	0	0	0	0	0	114.2	N583 T641 Y642 F839 R840	N583-A837 VanDerWaalsContact ND2-CB 3.29Å; N583-A837 WeakPolarHBondContact ND2-CB 3.28Å; T641-A837 PolarHBondContact O-N 3.27Å; Y642-A837 HydrophobicContact CD2-CB 4.08Å; A837-F839 PolarHBondContact O-N 3.37Å; A837-R840 WeakPolarHBondContact O-CB 3.47Å; A837-R840 PolarHBondContact O-N 2.99Å
838	R	97.2	Very high	94.7	Very high	12 Å²	12	39.8 Å²	39.8	5%	0.045	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-63.8	-24.6	175.5	-68.6	170.6	-174.5	86	0.4	113.7	Y642 E643 L821 E823 L824 D836 R844	Y642-R838 VanDerWaalsContact CE2-CZ 3.43Å; Y642-R838 VanDerWaalsContact CE2-NH1 3.27Å; Y642-R838 PolarHBondContact OH-NH2 3.35Å; E643-R838 VanDerWaalsContact O-CZ 3.28Å; E643-R838 PolarHBondContact O-NH1 2.91Å; E643-R838 PolarHBondContact O-NH2 2.64Å; L821-R838 PolarHBondContact O-NH2 2.8Å; E823-R838 WeakPolarHBondContact O-CD 3.49Å; E823-R838 PolarHBondContact O-NE 3.26Å; L824-R838 HydrophobicContact CB-CB 4.19Å; L824-R838 HydrophobicContact CD1-CB 4.07Å; L824-R838 HydrophobicContact CD2-CB 4.32Å; L824-R838 HydrophobicContact CG-CB 4.42Å; D836-R838 PolarHBondContact O-N 2.99Å; D836-R838 VanDerWaalsContact OD1-CB 3.24Å; D836-R838 WeakPolarHBondContact OD1-CB 3.2Å; D836-R838 WeakPolarHBondContact OD1-CD 3.24Å; D836-R838 WeakPolarHBondContact OD1-CG 3.18Å; D836-R838 IonicContact OD1-CZ 3.22Å; D836-R838 PolarHBondContact OD1-N 2.89Å; D836-R838 IonicContact OD1-NH1 3.78Å; D836-R838 PolarHBondContact OD1-NH1 2.67Å; D836-R838 IonicContact OD2-NH1 2.91Å; D836-R838 PolarHBondContact OD2-NH1 2.96Å; R838-R844 PolarHBondContact O-NH2 3.47Å
839	F	96.4	Very high	95.2	Very high	50 Å²	50	39.2 Å²	39.2	22%	0.219	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-87.9	-7.6	176	-61	-51.9	0	0	0	113.2	L824 K829 L832 P833 D836 A837 P841 W921	L824-F839 HydrophobicContact CD1-CE1 4.04Å; L824-F839 HydrophobicContact CD2-CD1 3.9Å; L824-F839 HydrophobicContact CD2-CE1 3.91Å; K829-F839 HydrophobicContact CG-CE1 4.13Å; K829-F839 HydrophobicContact CG-CZ 4.35Å; L832-F839 HydrophobicContact CB-CE2 3.59Å; L832-F839 HydrophobicContact CB-CZ 3.9Å; L832-F839 HydrophobicContact CD1-CE2 4.21Å; L832-F839 HydrophobicContact CD1-CZ 4.11Å; P833-F839 WeakPolarHBondContact O-CE2 3.29Å; D836-F839 HydrophobicContact CB-CD2 4.16Å; D836-F839 HydrophobicContact CB-CE2 4.42Å; D836-F839 PolarHBondContact O-N 3.1Å; A837-F839 PolarHBondContact O-N 3.37Å; F839-P841 VanDerWaalsContact O-CD 3.26Å; F839-P841 WeakPolarHBondContact O-CD 3.23Å; F839-W921 HydrophobicContact CB-CZ2 3.82Å
840	R	97.4	Very high	95.7	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.008	18%	0.176	C	C	.	.			trans	-68.9	112.2	-177.8	177.9	169.4	173.8	165	-3.8	110.2	N635 E640 A837 D842 Q843 R844 W921	N635-R840 PolarHBondContact O-NH1 3.4Å; E640-R840 WeakPolarHBondContact OE1-CD 3.48Å; E640-R840 IonicContact OE1-NH1 3.22Å; E640-R840 IonicContact OE2-CZ 2.82Å; E640-R840 IonicContact OE2-NH1 3.8Å; E640-R840 PolarHBondContact OE2-NH1 3.01Å; A837-R840 WeakPolarHBondContact O-CB 3.47Å; A837-R840 PolarHBondContact O-N 2.99Å; R840-D842 WeakPolarHBondContact CD-OD1 3.29Å; R840-D842 WeakPolarHBondContact CG-OD1 3.48Å; R840-D842 IonicContact CZ-OD1 3.96Å; R840-D842 IonicContact CZ-OD2 2.73Å; R840-D842 IonicContact NE-OD1 2.86Å; R840-D842 PolarHBondContact NE-OD1 3.34Å; R840-D842 IonicContact NE-OD2 3.34Å; R840-D842 PolarHBondContact NE-OD2 2.94Å; R840-D842 IonicContact NH2-OD1 3.4Å; R840-D842 IonicContact NH2-OD2 3.4Å; R840-D842 PolarHBondContact NH2-OD2 3.16Å; R840-Q843 HydrophobicContact CB-CB 4.45Å; R840-Q843 HydrophobicContact CG-CB 4.14Å; R840-R844 PolarHBondContact O-N 3.36Å; R840-R844 VanDerWaalsContact O-N 3.08Å; R840-W921 HydrophobicContact CB-CE3 4.33Å; R840-W921 HydrophobicContact CB-CH2 4.08Å; R840-W921 HydrophobicContact CB-CZ3 3.91Å; R840-W921 HydrophobicContact CG-CE3 4.33Å; R840-W921 HydrophobicContact CG-CZ3 4.17Å
841	P	97.6	Very high	96.1	Very high	24 Å²	24	32.3 Å²	32.3	16%	0.156	16%	0.157	C	C	.	.	H	α-helix	trans	-80.3	-29.7	-162.7	29.5	-34.7	0	0	0	114.4	F839 Q843 R844 Y845 E857 I861 W921	F839-P841 VanDerWaalsContact O-CD 3.26Å; F839-P841 WeakPolarHBondContact O-CD 3.23Å; P841-Q843 VanDerWaalsContact C-N 3.33Å; P841-Q843 PolarHBondContact O-N 3.2Å; P841-R844 PolarHBondContact O-N 3Å; P841-Y845 HydrophobicContact CB-CE2 4.31Å; P841-Y845 WeakPolarHBondContact O-CD2 3.23Å; P841-Y845 PolarHBondContact O-N 3.01Å; P841-E857 HydrophobicContact CB-CG 3.99Å; P841-E857 HydrophobicContact CG-CG 3.63Å; P841-E857 WeakPolarHBondContact CG-OE1 3.46Å; P841-I861 HydrophobicContact CG-CD1 3.81Å; P841-W921 HydrophobicContact CG-CB 4.22Å; P841-W921 HydrophobicContact CG-CG 4.32Å
842	D	97.7	Very high	96.4	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-63.9	-39.6	173.7	61.3	-38.5	0	0	0	111.9	F634 R840 L846 A854 E857 K858 I861	F634-D842 HydrophobicContact CE1-CB 4.37Å; F634-D842 VanDerWaalsContact CE1-OD2 3.3Å; F634-D842 WeakPolarHBondContact CE1-OD2 3.39Å; R840-D842 WeakPolarHBondContact CD-OD1 3.29Å; R840-D842 WeakPolarHBondContact CG-OD1 3.48Å; R840-D842 IonicContact CZ-OD1 3.96Å; R840-D842 IonicContact CZ-OD2 2.73Å; R840-D842 IonicContact NE-OD1 2.86Å; R840-D842 PolarHBondContact NE-OD1 3.34Å; R840-D842 IonicContact NE-OD2 3.34Å; R840-D842 PolarHBondContact NE-OD2 2.94Å; R840-D842 IonicContact NH2-OD1 3.4Å; R840-D842 IonicContact NH2-OD2 3.4Å; R840-D842 PolarHBondContact NH2-OD2 3.16Å; D842-L846 PolarHBondContact O-N 2.92Å; D842-A854 WeakPolarHBondContact O-CB 3.12Å; D842-E857 HydrophobicContact CB-CB 4.06Å; D842-E857 HydrophobicContact CB-CG 4.1Å; D842-K858 HydrophobicContact CB-CB 3.88Å; D842-K858 VanDerWaalsContact CB-N 3.34Å; D842-I861 HydrophobicContact CB-CD1 4.46Å
843	Q	97.8	Very high	96.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-67.9	-41.3	173	-174.5	178.3	-38.9	0	0	112.2	P581 F634 N822 R840 P841 L846 E847	P581-Q843 WeakPolarHBondContact O-CG 3.5Å; P581-Q843 PolarHBondContact O-NE2 3.44Å; F634-Q843 HydrophobicContact CD2-CB 3.98Å; F634-Q843 HydrophobicContact CD2-CG 3.77Å; F634-Q843 HydrophobicContact CE2-CB 3.9Å; F634-Q843 HydrophobicContact CE2-CG 3.85Å; F634-Q843 HydrophobicContact CG-CB 4.41Å; F634-Q843 HydrophobicContact CZ-CB 4.25Å; N822-Q843 PolarHBondContact OD1-NE2 2.87Å; R840-Q843 HydrophobicContact CB-CB 4.45Å; R840-Q843 HydrophobicContact CG-CB 4.14Å; P841-Q843 VanDerWaalsContact C-N 3.33Å; P841-Q843 PolarHBondContact O-N 3.2Å; Q843-L846 PolarHBondContact O-N 3.44Å; Q843-E847 PolarHBondContact O-N 2.92Å
844	R	97.7	Very high	96.8	Very high	37 Å²	37	42 Å²	42	14%	0.14	20%	0.2	C	C	.	.	H	α-helix	trans	-63.8	-47	177.8	-175.1	62.7	62.4	-168.9	5.3	112.2	N822 R838 R840 P841 L846 E847 E848	N822-R844 PolarHBondContact ND2-NH1 3.45Å; N822-R844 PolarHBondContact O-NH1 3.32Å; N822-R844 PolarHBondContact O-NH2 2.86Å; R838-R844 PolarHBondContact O-NH2 3.47Å; R840-R844 PolarHBondContact O-N 3.36Å; R840-R844 VanDerWaalsContact O-N 3.08Å; P841-R844 PolarHBondContact O-N 3Å; R844-L846 VanDerWaalsContact C-N 3.29Å; R844-L846 PolarHBondContact O-N 3.37Å; R844-E847 IonicContact CZ-OE2 2.91Å; R844-E847 IonicContact NE-OE2 3.88Å; R844-E847 IonicContact NH1-OE2 3.86Å; R844-E847 PolarHBondContact NH1-OE2 3.14Å; R844-E847 VanDerWaalsContact O-CB 3.3Å; R844-E847 WeakPolarHBondContact O-CB 3.47Å; R844-E847 PolarHBondContact O-N 3.35Å; R844-E847 VanDerWaalsContact O-N 3.08Å; R844-E848 WeakPolarHBondContact CD-OE1 3.44Å; R844-E848 VanDerWaalsContact CG-OE1 3.3Å; R844-E848 WeakPolarHBondContact CG-OE1 3.3Å; R844-E848 WeakPolarHBondContact O-CG 3.38Å; R844-E848 PolarHBondContact O-N 3.21Å
845	Y	98.4	Very high	96.9	Very high	72 Å²	72	33.7 Å²	33.7	28%	0.282	18%	0.177	S	C	.	.	H	α-helix	trans	-62.1	-35.3	179	-72.9	-49.4	0	0	0	112.5	P841 E847 E848 G849 N850 M853 E857	P841-Y845 HydrophobicContact CB-CE2 4.31Å; P841-Y845 WeakPolarHBondContact O-CD2 3.23Å; P841-Y845 PolarHBondContact O-N 3.01Å; Y845-E847 VanDerWaalsContact C-N 3.33Å; Y845-E848 CarbonylContact O-C 3.25Å; Y845-E848 PolarHBondContact O-N 3.02Å; Y845-G849 PolarHBondContact O-N 3.32Å; Y845-N850 HydrophobicContact CD1-CB 4.34Å; Y845-N850 CarbonylContact O-C 3.53Å; Y845-N850 WeakPolarHBondContact O-CA 3.41Å; Y845-N850 PolarHBondContact O-N 2.91Å; Y845-M853 HydrophobicContact CD1-CB 4.04Å; Y845-M853 HydrophobicContact CD2-CB 3.68Å; Y845-M853 HydrophobicContact CE1-CB 4.33Å; Y845-M853 HydrophobicContact CE2-CB 4Å; Y845-M853 HydrophobicContact CE2-CE 3.96Å; Y845-M853 HydrophobicContact CG-CB 3.71Å; Y845-E857 HydrophobicContact CD2-CB 4.38Å
846	L	97.6	Very high	96.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.6	-37.2	174.2	-176.9	65.2	0	0	0	112	P550 V576 N579 F634 Y812 D842 Q843 R844 E848 G849 V851 A854	P550-L846 HydrophobicContact CG-CD1 4.36Å; V576-L846 HydrophobicContact CG2-CB 4.5Å; V576-L846 HydrophobicContact CG2-CD1 4.41Å; V576-L846 HydrophobicContact CG2-CD2 4.24Å; V576-L846 WeakPolarHBondContact O-CD2 3.37Å; N579-L846 HydrophobicContact CB-CD2 3.89Å; F634-L846 HydrophobicContact CE2-CD2 3.69Å; F634-L846 HydrophobicContact CZ-CB 4.36Å; F634-L846 HydrophobicContact CZ-CD2 3.88Å; Y812-L846 PolarHBondContact OH-O 3.23Å; D842-L846 PolarHBondContact O-N 2.92Å; Q843-L846 PolarHBondContact O-N 3.44Å; R844-L846 VanDerWaalsContact C-N 3.29Å; R844-L846 PolarHBondContact O-N 3.37Å; L846-E848 VanDerWaalsContact C-N 3.31Å; L846-G849 PolarHBondContact O-N 3Å; L846-V851 HydrophobicContact CD1-CG2 4.38Å; L846-A854 HydrophobicContact CB-CB 3.99Å
847	E	97.8	Very high	96.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-68.5	-30.8	177.2	-158	178	-165.2	0	0	113.2	R542 L545 A547 P581 N822 Q843 R844 Y845 G849	R542-E847 IonicContact CZ-OE1 3.18Å; R542-E847 IonicContact NH1-OE1 2.83Å; R542-E847 PolarHBondContact NH1-OE1 3.46Å; R542-E847 IonicContact NH1-OE2 3.19Å; R542-E847 IonicContact NH2-OE1 2.7Å; R542-E847 PolarHBondContact NH2-OE1 3.04Å; L545-E847 HydrophobicContact CD2-CG 4.42Å; A547-E847 PolarHBondContact N-O 3.48Å; P581-E847 HydrophobicContact CB-CB 3.54Å; P581-E847 HydrophobicContact CB-CG 3.72Å; P581-E847 HydrophobicContact CG-CB 4.22Å; P581-E847 HydrophobicContact CG-CG 4Å; N822-E847 PolarHBondContact ND2-OE2 2.94Å; Q843-E847 PolarHBondContact O-N 2.92Å; R844-E847 IonicContact CZ-OE2 2.91Å; R844-E847 IonicContact NE-OE2 3.88Å; R844-E847 IonicContact NH1-OE2 3.86Å; R844-E847 PolarHBondContact NH1-OE2 3.14Å; R844-E847 VanDerWaalsContact O-CB 3.3Å; R844-E847 WeakPolarHBondContact O-CB 3.47Å; R844-E847 PolarHBondContact O-N 3.35Å; R844-E847 VanDerWaalsContact O-N 3.08Å; Y845-E847 VanDerWaalsContact C-N 3.33Å; E847-G849 VanDerWaalsContact C-N 3.27Å
848	E	97.6	Very high	96.8	Very high	97 Å²	97	38.3 Å²	38.3	45%	0.453	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	2.6	173.8	-66.9	169.4	-178.4	0	0	112.7	R844 Y845 L846 N850	R844-E848 WeakPolarHBondContact CD-OE1 3.44Å; R844-E848 VanDerWaalsContact CG-OE1 3.3Å; R844-E848 WeakPolarHBondContact CG-OE1 3.3Å; R844-E848 WeakPolarHBondContact O-CG 3.38Å; R844-E848 PolarHBondContact O-N 3.21Å; Y845-E848 CarbonylContact O-C 3.25Å; Y845-E848 PolarHBondContact O-N 3.02Å; L846-E848 VanDerWaalsContact C-N 3.31Å; E848-N850 PolarHBondContact O-N 3.42Å
849	G	96.3	Very high	96.5	Very high	34 Å²	34	42.3 Å²	42.3	35%	0.351	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	2.3	179.9	0	0	0	0	0	114.8	Y845 L846 E847 V851	Y845-G849 PolarHBondContact O-N 3.32Å; L846-G849 PolarHBondContact O-N 3Å; E847-G849 VanDerWaalsContact C-N 3.27Å; G849-V851 VanDerWaalsContact C-N 3.29Å; G849-V851 PolarHBondContact O-N 3.42Å
850	N	97.2	Very high	96.4	Very high	66 Å²	66	44.9 Å²	44.9	35%	0.353	23%	0.233	S	C	.	.			trans	-83.5	69.5	-179.6	-167.4	-14.4	0	0	0	111.5	Y845 E848 E852 M853 A854	Y845-N850 HydrophobicContact CD1-CB 4.34Å; Y845-N850 CarbonylContact O-C 3.53Å; Y845-N850 WeakPolarHBondContact O-CA 3.41Å; Y845-N850 PolarHBondContact O-N 2.91Å; E848-N850 PolarHBondContact O-N 3.42Å; N850-E852 VanDerWaalsContact C-N 3.31Å; N850-E852 PolarHBondContact O-N 3.01Å; N850-M853 HydrophobicContact CB-CB 4.49Å; N850-M853 VanDerWaalsContact ND2-CG 3.34Å; N850-M853 WeakPolarHBondContact ND2-CG 3.25Å; N850-M853 PolarHBondContact O-N 3.02Å; N850-M853 WeakPolarHBondContact OD1-CB 3.39Å; N850-M853 WeakPolarHBondContact OD1-CG 3.39Å; N850-M853 PolarHBondContact OD1-N 3.44Å; N850-A854 WeakPolarHBondContact O-CB 3.49Å; N850-A854 PolarHBondContact O-N 3.23Å
851	V	95.1	Very high	96.3	Very high	37 Å²	37	44.8 Å²	44.8	22%	0.224	23%	0.232	C	C	.	.	H	α-helix	trans	-54.1	-41	-176.7	169.8	0	0	0	0	113.4	P550 V576 E577 L846 G849 A854 G855	P550-V851 HydrophobicContact CB-CG2 3.89Å; P550-V851 HydrophobicContact CG-CG2 4.2Å; V576-V851 HydrophobicContact CG1-CG1 4.13Å; E577-V851 HydrophobicContact CG-CG1 3.51Å; L846-V851 HydrophobicContact CD1-CG2 4.38Å; G849-V851 VanDerWaalsContact C-N 3.29Å; G849-V851 PolarHBondContact O-N 3.42Å; V851-A854 PolarHBondContact O-N 2.59Å; V851-G855 PolarHBondContact O-N 3.4Å
852	E	94.9	Very high	95.9	Very high	159 Å²	159	44.6 Å²	44.6	74%	0.743	23%	0.23	S	C	*	.	H	α-helix	trans	-67	-44.2	-177	-174.6	175.5	-174.7	0	0	111.8	N850 S856	N850-E852 VanDerWaalsContact C-N 3.31Å; N850-E852 PolarHBondContact O-N 3.01Å; E852-S856 WeakPolarHBondContact O-CB 3.48Å; E852-S856 PolarHBondContact O-N 3.18Å; E852-S856 PolarHBondContact O-OG 2.91Å
853	M	97.3	Very high	95.5	Very high	78 Å²	78	47.9 Å²	47.9	38%	0.384	25%	0.247	S	C	.	.	H	α-helix	trans	-67.6	-40	173.3	-69.9	-61.8	-61.3	0	0	111.5	Y845 N850 G855 S856 E857	Y845-M853 HydrophobicContact CD1-CB 4.04Å; Y845-M853 HydrophobicContact CD2-CB 3.68Å; Y845-M853 HydrophobicContact CE1-CB 4.33Å; Y845-M853 HydrophobicContact CE2-CB 4Å; Y845-M853 HydrophobicContact CE2-CE 3.96Å; Y845-M853 HydrophobicContact CG-CB 3.71Å; N850-M853 HydrophobicContact CB-CB 4.49Å; N850-M853 VanDerWaalsContact ND2-CG 3.34Å; N850-M853 WeakPolarHBondContact ND2-CG 3.25Å; N850-M853 PolarHBondContact O-N 3.02Å; N850-M853 WeakPolarHBondContact OD1-CB 3.39Å; N850-M853 WeakPolarHBondContact OD1-CG 3.39Å; N850-M853 PolarHBondContact OD1-N 3.44Å; M853-G855 PolarHBondContact O-N 2.87Å; M853-S856 PolarHBondContact O-N 3.09Å; M853-E857 WeakPolarHBondContact O-CB 3.47Å; M853-E857 PolarHBondContact O-N 3.39Å
854	A	97.1	Very high	95.2	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.5	-45.8	176.6	0	0	0	0	0	111.9	V576 D842 L846 N850 V851 K858	V576-A854 HydrophobicContact CG1-CB 4.17Å; V576-A854 HydrophobicContact CG2-CB 3.82Å; D842-A854 WeakPolarHBondContact O-CB 3.12Å; L846-A854 HydrophobicContact CB-CB 3.99Å; N850-A854 WeakPolarHBondContact O-CB 3.49Å; N850-A854 PolarHBondContact O-N 3.23Å; V851-A854 PolarHBondContact O-N 2.59Å; A854-K858 WeakPolarHBondContact O-CB 3.27Å; A854-K858 PolarHBondContact O-N 2.85Å
855	G	94.5	Very high	94.9	Very high	29 Å²	29	48.3 Å²	48.3	30%	0.299	26%	0.257	S	S	.	.	H	α-helix	trans	-68.3	-43	178.7	0	0	0	0	0	112.9	V851 M853 E857 Q859	V851-G855 PolarHBondContact O-N 3.4Å; M853-G855 PolarHBondContact O-N 2.87Å; G855-E857 PolarHBondContact O-N 3.46Å; G855-Q859 PolarHBondContact O-N 2.87Å; G855-Q859 VanDerWaalsContact O-N 3.14Å
856	S	95.6	Very high	94.3	Very high	68 Å²	68	48.7 Å²	48.7	48%	0.476	26%	0.258	S	S	.	.	H	α-helix	trans	-61.6	-43.6	176.9	-59.7	0	0	0	0	112	E852 M853 Q859 R860	E852-S856 WeakPolarHBondContact O-CB 3.48Å; E852-S856 PolarHBondContact O-N 3.18Å; E852-S856 PolarHBondContact O-OG 2.91Å; M853-S856 PolarHBondContact O-N 3.09Å; S856-Q859 PolarHBondContact O-N 3.25Å; S856-R860 PolarHBondContact O-N 3.49Å
857	E	96.9	Very high	94	Very high	29 Å²	29	51.7 Å²	51.7	14%	0.136	28%	0.283	C	S	.	.	H	α-helix	trans	-76.2	-37.5	-177.3	-172.4	64.8	174.7	0	0	111.9	P841 D842 Y845 M853 G855 Q859 R860 I861	P841-E857 HydrophobicContact CB-CG 3.99Å; P841-E857 HydrophobicContact CG-CG 3.63Å; P841-E857 WeakPolarHBondContact CG-OE1 3.46Å; D842-E857 HydrophobicContact CB-CB 4.06Å; D842-E857 HydrophobicContact CB-CG 4.1Å; Y845-E857 HydrophobicContact CD2-CB 4.38Å; M853-E857 WeakPolarHBondContact O-CB 3.47Å; M853-E857 PolarHBondContact O-N 3.39Å; G855-E857 PolarHBondContact O-N 3.46Å; E857-Q859 VanDerWaalsContact C-N 3.27Å; E857-Q859 PolarHBondContact O-N 2.95Å; E857-R860 VanDerWaalsContact CD-NE 3.35Å; E857-R860 PolarHBondContact O-N 3.5Å; E857-R860 VanDerWaalsContact O-N 3.15Å; E857-R860 IonicContact OE1-CZ 2.58Å; E857-R860 IonicContact OE1-NE 2.6Å; E857-R860 PolarHBondContact OE1-NE 3.31Å; E857-R860 IonicContact OE1-NH2 2.78Å; E857-R860 PolarHBondContact OE1-NH2 2.93Å; E857-R860 WeakPolarHBondContact OE2-CD 3.28Å; E857-R860 IonicContact OE2-CZ 2.69Å; E857-R860 IonicContact OE2-NE 2.68Å; E857-R860 PolarHBondContact OE2-NE 3.36Å; E857-R860 IonicContact OE2-NH2 2.73Å; E857-I861 HydrophobicContact CG-CD1 3.83Å; E857-I861 HydrophobicContact CG-CG1 4.45Å; E857-I861 WeakPolarHBondContact O-CB 3.41Å; E857-I861 VanDerWaalsContact O-CG1 3.28Å; E857-I861 WeakPolarHBondContact O-CG1 3.4Å; E857-I861 PolarHBondContact O-N 2.92Å
858	K	94.5	Very high	93.6	Very high	10 Å²	10	53.6 Å²	53.6	4%	0.043	29%	0.29	C	S	.	.	H	α-helix	trans	-54.6	-45.7	170.6	-178.6	-179	-177.2	-60	0	110.5	S573 M574 V576 F634 D842 A854 E862	S573-K858 PolarHBondContact OG-NZ 2.62Å; M574-K858 WeakPolarHBondContact O-CE 3.41Å; M574-K858 PolarHBondContact O-NZ 2.8Å; V576-K858 HydrophobicContact CB-CD 4.01Å; V576-K858 HydrophobicContact CG2-CD 4.04Å; F634-K858 HydrophobicContact CE1-CD 4.3Å; D842-K858 HydrophobicContact CB-CB 3.88Å; D842-K858 VanDerWaalsContact CB-N 3.34Å; A854-K858 WeakPolarHBondContact O-CB 3.27Å; A854-K858 PolarHBondContact O-N 2.85Å; K858-E862 WeakPolarHBondContact CG-OE1 3.07Å; K858-E862 IonicContact NZ-OE1 3.75Å; K858-E862 PolarHBondContact NZ-OE1 2.9Å; K858-E862 IonicContact NZ-OE2 3.07Å; K858-E862 WeakPolarHBondContact O-CB 3.45Å; K858-E862 WeakPolarHBondContact O-CG 3.47Å; K858-E862 PolarHBondContact O-N 2.96Å
859	Q	91.2	Very high	93.2	Very high	96 Å²	96	50.6 Å²	50.6	45%	0.449	28%	0.275	S	S	.	.	H	α-helix	trans	-63.7	-48.5	175.5	-169.6	67.1	80.9	0	0	111.7	G855 S856 E857 I861 E862 D863	G855-Q859 PolarHBondContact O-N 2.87Å; G855-Q859 VanDerWaalsContact O-N 3.14Å; S856-Q859 PolarHBondContact O-N 3.25Å; E857-Q859 VanDerWaalsContact C-N 3.27Å; E857-Q859 PolarHBondContact O-N 2.95Å; Q859-I861 VanDerWaalsContact C-N 3.27Å; Q859-I861 PolarHBondContact O-N 3.35Å; Q859-E862 PolarHBondContact O-N 3.48Å; Q859-D863 PolarHBondContact NE2-OD1 3.36Å; Q859-D863 WeakPolarHBondContact O-CB 3.24Å; Q859-D863 VanDerWaalsContact O-CG 3.32Å; Q859-D863 PolarHBondContact O-N 2.95Å
860	R	94.9	Very high	92.8	Very high	104 Å²	104	54.3 Å²	54.3	39%	0.392	28%	0.281	S	S	.	.	H	α-helix	trans	-56.1	-42.2	179.4	-169.2	-171.6	70.2	81.2	-2	112.3	S856 E857 A864 W921	S856-R860 PolarHBondContact O-N 3.49Å; E857-R860 VanDerWaalsContact CD-NE 3.35Å; E857-R860 PolarHBondContact O-N 3.5Å; E857-R860 VanDerWaalsContact O-N 3.15Å; E857-R860 IonicContact OE1-CZ 2.58Å; E857-R860 IonicContact OE1-NE 2.6Å; E857-R860 PolarHBondContact OE1-NE 3.31Å; E857-R860 IonicContact OE1-NH2 2.78Å; E857-R860 PolarHBondContact OE1-NH2 2.93Å; E857-R860 WeakPolarHBondContact OE2-CD 3.28Å; E857-R860 IonicContact OE2-CZ 2.69Å; E857-R860 IonicContact OE2-NE 2.68Å; E857-R860 PolarHBondContact OE2-NE 3.36Å; E857-R860 IonicContact OE2-NH2 2.73Å; R860-A864 WeakPolarHBondContact O-CB 3.21Å; R860-A864 PolarHBondContact O-N 3.47Å; R860-W921 PolarHBondContact NH1-OXT 2.96Å; R860-W921 PolarHBondContact NH2-OXT 3.3Å
861	I	94.1	Very high	92.5	Very high	0 Å²	0	58 Å²	58	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-75.6	-43.2	-177.6	-68.4	173.4	0	0	0	111.4	L637 P841 D842 E857 Q859 D863 A864 Q865 W921	L637-I861 HydrophobicContact CD1-CG2 3.33Å; L637-I861 HydrophobicContact CD2-CG2 3.55Å; L637-I861 HydrophobicContact CG-CG2 4.03Å; P841-I861 HydrophobicContact CG-CD1 3.81Å; D842-I861 HydrophobicContact CB-CD1 4.46Å; E857-I861 HydrophobicContact CG-CD1 3.83Å; E857-I861 HydrophobicContact CG-CG1 4.45Å; E857-I861 WeakPolarHBondContact O-CB 3.41Å; E857-I861 VanDerWaalsContact O-CG1 3.28Å; E857-I861 WeakPolarHBondContact O-CG1 3.4Å; E857-I861 PolarHBondContact O-N 2.92Å; Q859-I861 VanDerWaalsContact C-N 3.27Å; Q859-I861 PolarHBondContact O-N 3.35Å; I861-D863 PolarHBondContact O-N 2.99Å; I861-A864 PolarHBondContact O-N 3.31Å; I861-Q865 WeakPolarHBondContact O-CB 3.42Å; I861-Q865 PolarHBondContact O-N 3.45Å; I861-W921 HydrophobicContact CD1-CB 3.71Å; I861-W921 HydrophobicContact CG1-CB 3.9Å
862	E	89.6	Confident	92.3	Very high	21 Å²	21	57.7 Å²	57.7	10%	0.098	29%	0.287	C	S	.	.	H	α-helix	trans	-58.6	-38	172.4	-78	175.2	-166.2	0	0	111.2	S573 K858 Q859 R866	S573-E862 PolarHBondContact OG-OE1 2.98Å; S573-E862 PolarHBondContact OG-OE2 3.22Å; K858-E862 WeakPolarHBondContact CG-OE1 3.07Å; K858-E862 IonicContact NZ-OE1 3.75Å; K858-E862 PolarHBondContact NZ-OE1 2.9Å; K858-E862 IonicContact NZ-OE2 3.07Å; K858-E862 WeakPolarHBondContact O-CB 3.45Å; K858-E862 WeakPolarHBondContact O-CG 3.47Å; K858-E862 PolarHBondContact O-N 2.96Å; Q859-E862 PolarHBondContact O-N 3.48Å; E862-R866 WeakPolarHBondContact O-CB 3.29Å; E862-R866 VanDerWaalsContact O-CG 3.29Å; E862-R866 WeakPolarHBondContact O-CG 3.38Å; E862-R866 PolarHBondContact O-N 3.46Å
863	D	90	Very high	92	Very high	69 Å²	69	55.7 Å²	55.7	37%	0.369	28%	0.278	S	S	.	.	H	α-helix	trans	-69	-47.1	176.2	-77.5	40.8	0	0	0	112.6	Q859 I861 Q865 R866 A867	Q859-D863 PolarHBondContact NE2-OD1 3.36Å; Q859-D863 WeakPolarHBondContact O-CB 3.24Å; Q859-D863 VanDerWaalsContact O-CG 3.32Å; Q859-D863 PolarHBondContact O-N 2.95Å; I861-D863 PolarHBondContact O-N 2.99Å; D863-Q865 VanDerWaalsContact C-N 3.29Å; D863-Q865 PolarHBondContact O-N 3.01Å; D863-R866 PolarHBondContact O-N 2.92Å; D863-R866 VanDerWaalsContact O-N 3.15Å; D863-R866 IonicContact OD1-CZ 3.2Å; D863-R866 IonicContact OD1-NE 2.75Å; D863-R866 IonicContact OD1-NH2 3.92Å; D863-R866 PolarHBondContact OD1-NH2 3.28Å; D863-R866 IonicContact OD2-NH2 2.66Å; D863-R866 PolarHBondContact OD2-NH2 2.95Å; D863-A867 WeakPolarHBondContact O-CB 3.49Å; D863-A867 PolarHBondContact O-N 2.84Å
864	A	91.6	Very high	91.9	Very high	37 Å²	37	57.6 Å²	57.6	31%	0.306	29%	0.286	S	S	.	.	H	α-helix	trans	-58.9	-41.6	175.7	0	0	0	0	0	111.6	R860 I861 A867 R868	R860-A864 WeakPolarHBondContact O-CB 3.21Å; R860-A864 PolarHBondContact O-N 3.47Å; I861-A864 PolarHBondContact O-N 3.31Å; A864-A867 PolarHBondContact O-N 3.35Å; A864-R868 VanDerWaalsContact O-CB 3.31Å; A864-R868 WeakPolarHBondContact O-CB 3.31Å; A864-R868 PolarHBondContact O-N 3.01Å
865	Q	91	Very high	91.7	Very high	8 Å²	8	61.5 Å²	61.5	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-64.9	-42.9	173.9	172.2	162	-112.9	0	0	112.6	H660 I861 D863 R868 R869	H660-Q865 PolarHBondContact CE1-NE2 3.46Å; H660-Q865 VanDerWaalsContact CE1-NE2 3.31Å; I861-Q865 WeakPolarHBondContact O-CB 3.42Å; I861-Q865 PolarHBondContact O-N 3.45Å; D863-Q865 VanDerWaalsContact C-N 3.29Å; D863-Q865 PolarHBondContact O-N 3.01Å; Q865-R868 PolarHBondContact O-N 3.22Å; Q865-R869 WeakPolarHBondContact O-CB 3.19Å; Q865-R869 PolarHBondContact O-N 3.33Å
866	R	86.7	Confident	91.6	Very high	80 Å²	80	67 Å²	67	30%	0.302	33%	0.329	S	S	.	.	H	α-helix	trans	-62.4	-42.1	176.3	-76.1	-173.9	-63.1	150.8	-0.1	111.6	E862 D863 R869 K870	E862-R866 WeakPolarHBondContact O-CB 3.29Å; E862-R866 VanDerWaalsContact O-CG 3.29Å; E862-R866 WeakPolarHBondContact O-CG 3.38Å; E862-R866 PolarHBondContact O-N 3.46Å; D863-R866 PolarHBondContact O-N 2.92Å; D863-R866 VanDerWaalsContact O-N 3.15Å; D863-R866 IonicContact OD1-CZ 3.2Å; D863-R866 IonicContact OD1-NE 2.75Å; D863-R866 IonicContact OD1-NH2 3.92Å; D863-R866 PolarHBondContact OD1-NH2 3.28Å; D863-R866 IonicContact OD2-NH2 2.66Å; D863-R866 PolarHBondContact OD2-NH2 2.95Å; R866-R869 PolarHBondContact O-N 2.93Å; R866-K870 WeakPolarHBondContact O-CB 3.31Å; R866-K870 PolarHBondContact O-N 3.06Å
867	A	90.8	Very high	91.3	Very high	63 Å²	63	67.5 Å²	67.5	52%	0.521	33%	0.326	S	S	.	.	H	α-helix	trans	-63.4	-47.1	175.4	0	0	0	0	0	112.1	D863 A864 R869 K870 W871	D863-A867 WeakPolarHBondContact O-CB 3.49Å; D863-A867 PolarHBondContact O-N 2.84Å; A864-A867 PolarHBondContact O-N 3.35Å; A867-R869 PolarHBondContact O-N 3.48Å; A867-K870 PolarHBondContact O-N 2.86Å; A867-W871 WeakPolarHBondContact O-CB 3.43Å; A867-W871 PolarHBondContact O-N 2.99Å
868	R	89.7	Confident	90.9	Very high	40 Å²	40	74.7 Å²	74.7	15%	0.151	36%	0.357	C	S	.	.	H	α-helix	trans	-57.9	-45.1	175.8	-179.5	167.5	70.5	-126	4.9	112.1	A864 Q865 W871 N872 S919	A864-R868 VanDerWaalsContact O-CB 3.31Å; A864-R868 WeakPolarHBondContact O-CB 3.31Å; A864-R868 PolarHBondContact O-N 3.01Å; Q865-R868 PolarHBondContact O-N 3.22Å; R868-W871 PolarHBondContact O-N 3.25Å; R868-N872 WeakPolarHBondContact O-CB 3.4Å; R868-N872 PolarHBondContact O-N 2.9Å; R868-S919 PolarHBondContact NH1-O 2.81Å; R868-S919 VanDerWaalsContact NH1-O 3.13Å
869	R	88	Confident	90.6	Very high	35 Å²	35	77.7 Å²	77.7	13%	0.132	37%	0.37	C	S	.	.	H	α-helix	trans	-61.7	-51.1	177.1	-170.5	-166.6	-59.4	133.6	5	111.6	Q485 H660 H661 Q865 R866 A867 W871 N872 E873	Q485-R869 PolarHBondContact O-NH1 2.98Å; H660-R869 PolarHBondContact CD2-NH2 3.04Å; H660-R869 PolarHBondContact NE2-NH2 3.37Å; H661-R869 VanDerWaalsContact CD2-CZ 3.47Å; H661-R869 PolarHBondContact CD2-NE 3.47Å; H661-R869 PolarHBondContact NE2-NH1 2.86Å; H661-R869 VanDerWaalsContact NE2-NH1 3.13Å; H661-R869 PolarHBondContact NE2-NH2 3.49Å; Q865-R869 WeakPolarHBondContact O-CB 3.19Å; Q865-R869 PolarHBondContact O-N 3.33Å; R866-R869 PolarHBondContact O-N 2.93Å; A867-R869 PolarHBondContact O-N 3.48Å; R869-W871 VanDerWaalsContact C-N 3.32Å; R869-W871 PolarHBondContact O-N 2.88Å; R869-N872 WeakPolarHBondContact O-CB 3.32Å; R869-N872 PolarHBondContact O-N 3.39Å; R869-N872 VanDerWaalsContact O-N 3.16Å; R869-E873 VanDerWaalsContact CD-OE1 3.31Å; R869-E873 WeakPolarHBondContact CD-OE1 3.47Å; R869-E873 VanDerWaalsContact CG-OE1 3.26Å; R869-E873 WeakPolarHBondContact CG-OE1 3.49Å; R869-E873 WeakPolarHBondContact O-CG 3.39Å; R869-E873 PolarHBondContact O-N 2.87Å
870	K	88.8	Confident	90.6	Very high	111 Å²	111	81 Å²	81	48%	0.483	39%	0.386	S	S	.	.	H	α-helix	trans	-58.2	-43.4	179	179.2	178.1	177.6	-74.7	0	111.9	R866 A867 E873 E874	R866-K870 WeakPolarHBondContact O-CB 3.31Å; R866-K870 PolarHBondContact O-N 3.06Å; A867-K870 PolarHBondContact O-N 2.86Å; K870-E873 PolarHBondContact O-N 3.41Å; K870-E874 WeakPolarHBondContact CE-OE1 3.17Å; K870-E874 HydrophobicContact CG-CG 4.49Å; K870-E874 IonicContact NZ-OE1 2.67Å; K870-E874 PolarHBondContact NZ-OE1 2.71Å; K870-E874 IonicContact NZ-OE2 2.78Å; K870-E874 PolarHBondContact NZ-OE2 2.71Å; K870-E874 WeakPolarHBondContact O-CB 3.23Å; K870-E874 WeakPolarHBondContact O-CG 3.36Å; K870-E874 PolarHBondContact O-N 2.74Å
871	W	91.3	Very high	90.5	Very high	144 Å²	144	77 Å²	77	55%	0.545	37%	0.374	S	S	.	.	H	α-helix	trans	-65.6	-40.7	177.3	-177.4	86.5	0	0	0	112	A867 R868 R869 E874 N875 I877	A867-W871 WeakPolarHBondContact O-CB 3.43Å; A867-W871 PolarHBondContact O-N 2.99Å; R868-W871 PolarHBondContact O-N 3.25Å; R869-W871 VanDerWaalsContact C-N 3.32Å; R869-W871 PolarHBondContact O-N 2.88Å; W871-E874 PolarHBondContact O-N 3.33Å; W871-N875 PolarHBondContact NE1-ND2 2.79Å; W871-N875 WeakPolarHBondContact O-CB 3.5Å; W871-N875 PolarHBondContact O-N 2.93Å; W871-N875 VanDerWaalsContact O-N 3.08Å; W871-N875 PolarHBondContact O-ND2 3.12Å; W871-I877 HydrophobicContact CE3-CD1 4.32Å; W871-I877 HydrophobicContact CH2-CD1 3.59Å; W871-I877 HydrophobicContact CZ3-CD1 3.46Å; W871-I877 VanDerWaalsContact CZ3-CD1 3.46Å
872	N	90.1	Very high	90.5	Very high	30 Å²	30	80 Å²	80	16%	0.16	39%	0.385	C	S	.	.	H	α-helix	trans	-60	-46.4	173.3	-81.3	5	0	0	0	111.8	R868 R869 N875 N876 I877	R868-N872 WeakPolarHBondContact O-CB 3.4Å; R868-N872 PolarHBondContact O-N 2.9Å; R869-N872 WeakPolarHBondContact O-CB 3.32Å; R869-N872 PolarHBondContact O-N 3.39Å; R869-N872 VanDerWaalsContact O-N 3.16Å; N872-N875 CarbonylContact O-C 3.54Å; N872-N875 PolarHBondContact O-N 2.9Å; N872-N876 PolarHBondContact O-N 3.49Å; N872-I877 HydrophobicContact CB-CB 4.31Å; N872-I877 WeakPolarHBondContact CB-O 3.47Å; N872-I877 PolarHBondContact O-N 3.14Å
873	E	89.1	Confident	90.8	Very high	117 Å²	117	79.1 Å²	79.1	55%	0.547	38%	0.381	S	S	.	.	H	α-helix	trans	-59.4	-48.9	176	-71.3	164.6	-171.5	0	0	111.8	R869 K870 N875 N876	R869-E873 VanDerWaalsContact CD-OE1 3.31Å; R869-E873 WeakPolarHBondContact CD-OE1 3.47Å; R869-E873 VanDerWaalsContact CG-OE1 3.26Å; R869-E873 WeakPolarHBondContact CG-OE1 3.49Å; R869-E873 WeakPolarHBondContact O-CG 3.39Å; R869-E873 PolarHBondContact O-N 2.87Å; K870-E873 PolarHBondContact O-N 3.41Å; E873-N875 PolarHBondContact O-N 2.94Å; E873-N876 PolarHBondContact O-N 2.77Å; E873-N876 VanDerWaalsContact O-N 3.1Å
874	E	93.8	Very high	91.2	Very high	119 Å²	119	76 Å²	76	56%	0.556	36%	0.364	S	S	*	.	H	α-helix	trans	-60.6	-29	178.3	-74.7	175.9	146.3	0	0	112.8	K870 W871	K870-E874 WeakPolarHBondContact CE-OE1 3.17Å; K870-E874 HydrophobicContact CG-CG 4.49Å; K870-E874 IonicContact NZ-OE1 2.67Å; K870-E874 PolarHBondContact NZ-OE1 2.71Å; K870-E874 IonicContact NZ-OE2 2.78Å; K870-E874 PolarHBondContact NZ-OE2 2.71Å; K870-E874 WeakPolarHBondContact O-CB 3.23Å; K870-E874 WeakPolarHBondContact O-CG 3.36Å; K870-E874 PolarHBondContact O-N 2.74Å; W871-E874 PolarHBondContact O-N 3.33Å
875	N	94	Very high	91.4	Very high	81 Å²	81	79.5 Å²	79.5	43%	0.433	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	3.5	177.8	-68.9	-88.4	0	0	0	114	W871 N872 E873 I877	W871-N875 PolarHBondContact NE1-ND2 2.79Å; W871-N875 WeakPolarHBondContact O-CB 3.5Å; W871-N875 PolarHBondContact O-N 2.93Å; W871-N875 VanDerWaalsContact O-N 3.08Å; W871-N875 PolarHBondContact O-ND2 3.12Å; N872-N875 CarbonylContact O-C 3.54Å; N872-N875 PolarHBondContact O-N 2.9Å; E873-N875 PolarHBondContact O-N 2.94Å; N875-I877 HydrophobicContact CB-CD1 3.73Å; N875-I877 HydrophobicContact CB-CG1 3.91Å; N875-I877 PolarHBondContact O-N 2.87Å
876	N	92.1	Very high	91.5	Very high	145 Å²	145	83.6 Å²	83.6	78%	0.775	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	22.9	-174.1	-60.4	-98.6	0	0	0	114.7	N872 E873 K878	N872-N876 PolarHBondContact O-N 3.49Å; E873-N876 PolarHBondContact O-N 2.77Å; E873-N876 VanDerWaalsContact O-N 3.1Å; N876-K878 PolarHBondContact O-N 3.37Å
877	I	90.1	Very high	91.8	Very high	79 Å²	79	82.8 Å²	82.8	41%	0.405	39%	0.394	S	S	.	.	P	Polyproline II helix	trans	-79.5	117.9	178.5	-63.5	168.5	0	0	0	108.7	W871 N872 N875	W871-I877 HydrophobicContact CE3-CD1 4.32Å; W871-I877 HydrophobicContact CH2-CD1 3.59Å; W871-I877 HydrophobicContact CZ3-CD1 3.46Å; W871-I877 VanDerWaalsContact CZ3-CD1 3.46Å; N872-I877 HydrophobicContact CB-CB 4.31Å; N872-I877 WeakPolarHBondContact CB-O 3.47Å; N872-I877 PolarHBondContact O-N 3.14Å; N875-I877 HydrophobicContact CB-CD1 3.73Å; N875-I877 HydrophobicContact CB-CG1 3.91Å; N875-I877 PolarHBondContact O-N 2.87Å
878	K	87.8	Confident	91.7	Very high	180 Å²	180	83.7 Å²	83.7	78%	0.783	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-83.3	142.6	170.3	-66.2	-177.9	-179.5	178.3	0	109.6	N876	N876-K878 PolarHBondContact O-N 3.37Å
879	H	87.8	Confident	91.2	Very high	72 Å²	72	83.1 Å²	83.1	33%	0.333	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-76.8	128.9	167.8	173.9	74.3	0	0	0	109.4	L638	L638-H879 VanDerWaalsContact CD1-CD2 3.4Å; L638-H879 WeakPolarHBondContact CD1-CD2 3.39Å; L638-H879 HydrophobicContact CD2-CB 3.84Å; L638-H879 HydrophobicContact CG-CB 4.36Å
880	E	91	Very high	90.8	Very high	167 Å²	167	86.3 Å²	86.3	78%	0.78	43%	0.426	S	S	*	.			trans	-109.4	117.4	171.3	-62.4	-170.8	159	0	0	108
881	P	94.1	Very high	90.2	Very high	20 Å²	20	86.7 Å²	86.7	13%	0.13	43%	0.433	C	S	.	.			trans	-62.5	146.1	176.3	-26.6	38	0	0	0	112.2	E656 V658 W896	E656-P881 WeakPolarHBondContact OE1-CA 3.39Å; V658-P881 HydrophobicContact CB-CB 4.1Å; V658-P881 HydrophobicContact CB-CG 3.77Å; V658-P881 HydrophobicContact CG1-CB 3.93Å; V658-P881 HydrophobicContact CG1-CG 4.17Å; V658-P881 VanDerWaalsContact O-CG 3.23Å; V658-P881 WeakPolarHBondContact O-CG 3.34Å; P881-W896 HydrophobicContact CB-CZ3 4.25Å; P881-W896 HydrophobicContact CG-CE3 4.49Å; P881-W896 HydrophobicContact CG-CH2 3.73Å; P881-W896 HydrophobicContact CG-CZ3 3.62Å
882	R	93.3	Very high	89.6	Confident	63 Å²	63	87.8 Å²	87.8	24%	0.238	44%	0.444	C	S	.	.	S	Bend	trans	-85.9	-26.7	-165.3	-159.6	176.8	-152.7	-179.1	5.7	113.1	E656 N899 M914 E915 T917	E656-R882 PolarHBondContact OE1-N 2.62Å; E656-R882 PolarHBondContact OE2-N 2.95Å; R882-N899 PolarHBondContact O-ND2 3.36Å; R882-M914 HydrophobicContact CG-CE 4.2Å; R882-E915 PolarHBondContact NH2-O 3.23Å; R882-T917 PolarHBondContact NH1-OG1 3.5Å; R882-T917 VanDerWaalsContact NH1-OG1 3.07Å
883	F	96.3	Very high	89.2	Confident	1 Å²	1	93.3 Å²	93.3	0%	0.004	46%	0.463	C	S	.	.	S	Bend	trans	-124.8	-12.2	-171.3	-55.2	-68.4	0	0	0	113.9	T641 F654 E656 N899 Y902 L905 F911	T641-F883 HydrophobicContact CG2-CD2 3.93Å; T641-F883 HydrophobicContact CG2-CE2 3.92Å; F654-F883 HydrophobicContact CD2-CB 4.44Å; F654-F883 HydrophobicContact CE2-CB 3.93Å; E656-F883 PolarHBondContact OE2-N 2.68Å; F883-N899 WeakPolarHBondContact CA-ND2 3.38Å; F883-N899 PolarHBondContact O-N 3.4Å; F883-N899 PolarHBondContact O-OD1 3.39Å; F883-N899 VanDerWaalsContact O-OD1 3.06Å; F883-Y902 HydrophobicContact CB-CD2 4.17Å; F883-Y902 AromaticContact CD1-CD2 3.57Å; F883-Y902 HydrophobicContact CD1-CD2 3.57Å; F883-Y902 HydrophobicContact CD1-CG 4.15Å; F883-Y902 AromaticContact CD2-CD2 3.74Å; F883-Y902 HydrophobicContact CD2-CD2 3.74Å; F883-Y902 HydrophobicContact CD2-CE2 4.15Å; F883-Y902 AromaticContact CE1-CD2 3.75Å; F883-Y902 HydrophobicContact CE1-CD2 3.75Å; F883-Y902 HydrophobicContact CE1-CE2 4.45Å; F883-Y902 HydrophobicContact CE1-CG 4.4Å; F883-Y902 AromaticContact CE2-CD2 3.92Å; F883-Y902 HydrophobicContact CE2-CD2 3.92Å; F883-Y902 HydrophobicContact CE2-CE2 4.03Å; F883-Y902 AromaticContact CG-CD2 3.55Å; F883-Y902 HydrophobicContact CG-CD2 3.55Å; F883-Y902 HydrophobicContact CG-CE2 4.4Å; F883-Y902 HydrophobicContact CG-CG 4.41Å; F883-Y902 AromaticContact CZ-CD2 3.91Å; F883-Y902 HydrophobicContact CZ-CD2 3.91Å; F883-Y902 HydrophobicContact CZ-CE2 4.18Å; F883-L905 HydrophobicContact CE1-CD1 3.82Å; F883-F911 AromaticContact CE1-CE1 3.86Å; F883-F911 HydrophobicContact CE1-CE1 3.86Å; F883-F911 HydrophobicContact CZ-CD1 4.49Å; F883-F911 AromaticContact CZ-CE1 3.77Å; F883-F911 HydrophobicContact CZ-CE1 3.77Å; F883-F911 HydrophobicContact CZ-CZ 4.44Å
884	F	97.5	Very high	89.1	Confident	5 Å²	5	92.2 Å²	92.2	2%	0.022	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	142.9	175.6	-66.7	-99.3	0	0	0	111.7	F654 E656 V658 A666 H668 W896 V897	F654-F884 AromaticContact CD2-CE2 3.76Å; F654-F884 HydrophobicContact CD2-CE2 3.76Å; F654-F884 AromaticContact CD2-CZ 3.92Å; F654-F884 HydrophobicContact CD2-CZ 3.92Å; F654-F884 HydrophobicContact CE2-CD2 4.26Å; F654-F884 HydrophobicContact CE2-CE1 4.4Å; F654-F884 AromaticContact CE2-CE2 3.43Å; F654-F884 HydrophobicContact CE2-CE2 3.43Å; F654-F884 VanDerWaalsContact CE2-CE2 3.43Å; F654-F884 AromaticContact CE2-CZ 3.5Å; F654-F884 HydrophobicContact CE2-CZ 3.5Å; F654-F884 HydrophobicContact CZ-CZ 4.25Å; E656-F884 HydrophobicContact CB-CD2 3.59Å; E656-F884 HydrophobicContact CB-CE2 3.71Å; E656-F884 PolarHBondContact OE2-N 2.86Å; V658-F884 HydrophobicContact CG1-CB 3.61Å; V658-F884 HydrophobicContact CG1-CD2 4.03Å; V658-F884 HydrophobicContact CG1-CG 3.94Å; A666-F884 HydrophobicContact CB-CD1 3.58Å; A666-F884 HydrophobicContact CB-CD2 4.27Å; A666-F884 HydrophobicContact CB-CE1 3.74Å; A666-F884 HydrophobicContact CB-CE2 4.39Å; A666-F884 HydrophobicContact CB-CG 3.88Å; A666-F884 HydrophobicContact CB-CZ 4.16Å; A666-F884 WeakPolarHBondContact O-CZ 3.36Å; H668-F884 HydrophobicContact CB-CE1 4.06Å; H668-F884 HydrophobicContact CB-CZ 4.11Å; F884-W896 HydrophobicContact CB-CB 4.43Å; F884-W896 HydrophobicContact CB-CE3 4.13Å; F884-V897 CarbonylContact C-O 3.44Å; F884-V897 VanDerWaalsContact CA-O 3.29Å; F884-V897 WeakPolarHBondContact CA-O 3.44Å
885	K	95.6	Very high	89	Confident	110 Å²	110	89.2 Å²	89.2	48%	0.478	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	140.1	173.5	60.9	-170.4	173.9	-169.4	0	110.1	V887 V897 S898 N899	K885-V887 HydrophobicContact CG-CG2 4.41Å; K885-V897 HydrophobicContact CD-CG2 4.46Å; K885-V897 HydrophobicContact CG-CG2 3.81Å; K885-V897 PolarHBondContact N-O 3.02Å; K885-V897 PolarHBondContact O-N 3Å; K885-V897 VanDerWaalsContact O-N 3.08Å; K885-S898 WeakPolarHBondContact CE-O 3.33Å; K885-N899 HydrophobicContact CD-CB 4.46Å
886	K	93.6	Very high	89	Confident	93 Å²	93	86.6 Å²	86.6	40%	0.404	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	130.4	170.7	-180	176.4	-74.9	-172.4	0	109.3	E894 R895 W896	K886-E894 HydrophobicContact CD-CB 4.13Å; K886-E894 HydrophobicContact CD-CG 4.13Å; K886-E894 WeakPolarHBondContact CD-OE1 3.48Å; K886-E894 WeakPolarHBondContact CE-OE1 3.42Å; K886-E894 WeakPolarHBondContact CE-OE2 3.27Å; K886-E894 HydrophobicContact CG-CB 4.34Å; K886-E894 IonicContact NZ-OE1 3.77Å; K886-E894 PolarHBondContact NZ-OE1 3.49Å; K886-E894 IonicContact NZ-OE2 3.46Å; K886-E894 PolarHBondContact NZ-OE2 3.48Å; K886-R895 WeakPolarHBondContact CA-O 3.23Å; K886-W896 HydrophobicContact CB-CD2 4.22Å; K886-W896 HydrophobicContact CB-CE3 4.02Å; K886-W896 HydrophobicContact CB-CH2 3.97Å; K886-W896 HydrophobicContact CB-CZ2 4.16Å; K886-W896 HydrophobicContact CB-CZ3 3.88Å
887	V	92.6	Very high	89.1	Confident	64 Å²	64	81.6 Å²	81.6	39%	0.388	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	143.3	171.6	174.3	0	0	0	0	108	K885 E894 R895 V897	K885-V887 HydrophobicContact CG-CG2 4.41Å; V887-E894 WeakPolarHBondContact O-CA 3.25Å; V887-R895 PolarHBondContact N-O 2.91Å; V887-R895 PolarHBondContact O-N 3.43Å; V887-V897 HydrophobicContact CG2-CG2 3.63Å
888	V	89.4	Confident	89.5	Confident	81 Å²	81	78.2 Å²	78.2	49%	0.491	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	126.9	172.9	-178.1	0	0	0	0	107.8	R893	V888-R893 WeakPolarHBondContact CA-O 3.44Å
889	D	79.9	Confident	89.9	Confident	28 Å²	28	71.5 Å²	71.5	15%	0.15	36%	0.356	C	S	.	.			trans	-86.2	176.4	178.7	78.1	12.8	0	0	0	113.3	N891 H892 R893 R895	D889-N891 PolarHBondContact O-N 3.22Å; D889-N891 VanDerWaalsContact O-N 3.1Å; D889-N891 WeakPolarHBondContact OD1-CA 3.44Å; D889-N891 WeakPolarHBondContact OD1-CB 3.5Å; D889-N891 PolarHBondContact OD1-N 2.89Å; D889-H892 WeakPolarHBondContact O-CA 3.21Å; D889-H892 PolarHBondContact O-N 3.35Å; D889-H892 PolarHBondContact OD1-N 3.35Å; D889-R893 PolarHBondContact N-O 3.42Å; D889-R893 WeakPolarHBondContact OD1-CB 3.46Å; D889-R893 PolarHBondContact OD1-N 3.39Å; D889-R895 IonicContact OD2-CZ 2.71Å; D889-R895 IonicContact OD2-NE 3.69Å; D889-R895 PolarHBondContact OD2-NE 3.03Å; D889-R895 IonicContact OD2-NH2 2.99Å; D889-R895 PolarHBondContact OD2-NH2 2.86Å
890	A	78.3	Confident	90.3	Very high	102 Å²	102	73.1 Å²	73.1	84%	0.843	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-14.5	-179.4	0	0	0	0	0	114.4
891	N	76.9	Confident	90.4	Very high	119 Å²	119	69.6 Å²	69.6	64%	0.636	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.7	16	174.7	-57.5	-55.4	0	0	0	111.9	D889 R893	D889-N891 PolarHBondContact O-N 3.22Å; D889-N891 VanDerWaalsContact O-N 3.1Å; D889-N891 WeakPolarHBondContact OD1-CA 3.44Å; D889-N891 WeakPolarHBondContact OD1-CB 3.5Å; D889-N891 PolarHBondContact OD1-N 2.89Å; N891-R893 HydrophobicContact CB-CG 4.19Å; N891-R893 PolarHBondContact O-N 3.05Å
892	H	79.1	Confident	90.4	Very high	167 Å²	167	68.7 Å²	68.7	77%	0.773	35%	0.346	S	S	*	.	S	Bend	trans	57	22.4	-172.8	-59.3	-66.7	0	0	0	114.8	D889	D889-H892 WeakPolarHBondContact O-CA 3.21Å; D889-H892 PolarHBondContact O-N 3.35Å; D889-H892 PolarHBondContact OD1-N 3.35Å
893	R	81.4	Confident	90.5	Very high	147 Å²	147	67.5 Å²	67.5	56%	0.555	34%	0.342	S	S	*	.			trans	-83.1	129.6	175.2	-58.6	177.9	176.7	-171.5	-1.7	109.7	V888 D889 N891	V888-R893 WeakPolarHBondContact CA-O 3.44Å; D889-R893 PolarHBondContact N-O 3.42Å; D889-R893 WeakPolarHBondContact OD1-CB 3.46Å; D889-R893 PolarHBondContact OD1-N 3.39Å; N891-R893 HydrophobicContact CB-CG 4.19Å; N891-R893 PolarHBondContact O-N 3.05Å
894	E	87.3	Confident	90.3	Very high	93 Å²	93	72.9 Å²	72.9	44%	0.435	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	129.9	167.3	-50.8	-171.3	128.8	0	0	109.3	K886 V887	K886-E894 HydrophobicContact CD-CB 4.13Å; K886-E894 HydrophobicContact CD-CG 4.13Å; K886-E894 WeakPolarHBondContact CD-OE1 3.48Å; K886-E894 WeakPolarHBondContact CE-OE1 3.42Å; K886-E894 WeakPolarHBondContact CE-OE2 3.27Å; K886-E894 HydrophobicContact CG-CB 4.34Å; K886-E894 IonicContact NZ-OE1 3.77Å; K886-E894 PolarHBondContact NZ-OE1 3.49Å; K886-E894 IonicContact NZ-OE2 3.46Å; K886-E894 PolarHBondContact NZ-OE2 3.48Å; V887-E894 WeakPolarHBondContact O-CA 3.25Å
895	R	90.4	Very high	90	Very high	56 Å²	56	75 Å²	75	21%	0.211	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	159.3	168.9	-71.9	-167.4	-108.4	-164.9	-11.3	109.7	D679 E711 K886 V887 D889	D679-R895 WeakPolarHBondContact OD1-CA 3.44Å; D679-R895 WeakPolarHBondContact OD1-CB 3.46Å; E711-R895 IonicContact OE1-NH1 2.77Å; E711-R895 IonicContact OE2-CZ 2.66Å; E711-R895 IonicContact OE2-NH1 3.24Å; E711-R895 PolarHBondContact OE2-NH1 3.35Å; E711-R895 IonicContact OE2-NH2 3.82Å; K886-R895 WeakPolarHBondContact CA-O 3.23Å; V887-R895 PolarHBondContact N-O 2.91Å; V887-R895 PolarHBondContact O-N 3.43Å; D889-R895 IonicContact OD2-CZ 2.71Å; D889-R895 IonicContact OD2-NE 3.69Å; D889-R895 PolarHBondContact OD2-NE 3.03Å; D889-R895 IonicContact OD2-NH2 2.99Å; D889-R895 PolarHBondContact OD2-NH2 2.86Å
896	W	94.4	Very high	89.8	Confident	27 Å²	27	72.3 Å²	72.3	10%	0.102	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	132.2	172.3	-64.1	88.4	0	0	0	110.6	V658 A666 D679 P881 F884 K886	V658-W896 HydrophobicContact CB-CD2 3.85Å; V658-W896 HydrophobicContact CB-CE3 3.96Å; V658-W896 HydrophobicContact CB-CG 4.33Å; V658-W896 HydrophobicContact CB-CH2 4.35Å; V658-W896 HydrophobicContact CB-CZ2 4.24Å; V658-W896 HydrophobicContact CB-CZ3 4.22Å; V658-W896 HydrophobicContact CG1-CD2 4.27Å; V658-W896 HydrophobicContact CG1-CE3 4.14Å; V658-W896 HydrophobicContact CG2-CB 4.43Å; V658-W896 HydrophobicContact CG2-CD2 3.7Å; V658-W896 HydrophobicContact CG2-CE3 4.32Å; V658-W896 HydrophobicContact CG2-CG 3.73Å; V658-W896 HydrophobicContact CG2-CZ2 4.3Å; A666-W896 HydrophobicContact CB-CB 3.89Å; D679-W896 HydrophobicContact CB-CB 3.84Å; D679-W896 HydrophobicContact CB-CG 4.36Å; D679-W896 VanDerWaalsContact CG-N 3.33Å; D679-W896 PolarHBondContact OD1-N 2.97Å; P881-W896 HydrophobicContact CB-CZ3 4.25Å; P881-W896 HydrophobicContact CG-CE3 4.49Å; P881-W896 HydrophobicContact CG-CH2 3.73Å; P881-W896 HydrophobicContact CG-CZ3 3.62Å; F884-W896 HydrophobicContact CB-CB 4.43Å; F884-W896 HydrophobicContact CB-CE3 4.13Å; K886-W896 HydrophobicContact CB-CD2 4.22Å; K886-W896 HydrophobicContact CB-CE3 4.02Å; K886-W896 HydrophobicContact CB-CH2 3.97Å; K886-W896 HydrophobicContact CB-CZ2 4.16Å; K886-W896 HydrophobicContact CB-CZ3 3.88Å
897	V	95.3	Very high	89.5	Confident	39 Å²	39	73.4 Å²	73.4	24%	0.236	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.2	180	-59.1	0	0	0	0	110.4	F884 K885 V887	F884-V897 CarbonylContact C-O 3.44Å; F884-V897 VanDerWaalsContact CA-O 3.29Å; F884-V897 WeakPolarHBondContact CA-O 3.44Å; K885-V897 HydrophobicContact CD-CG2 4.46Å; K885-V897 HydrophobicContact CG-CG2 3.81Å; K885-V897 PolarHBondContact N-O 3.02Å; K885-V897 PolarHBondContact O-N 3Å; K885-V897 VanDerWaalsContact O-N 3.08Å; V887-V897 HydrophobicContact CG2-CG2 3.63Å
898	S	97.4	Very high	88.7	Confident	8 Å²	8	78.3 Å²	78.3	6%	0.056	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.2	139.1	173.4	173.9	0	0	0	0	112	K885 N900	K885-S898 WeakPolarHBondContact CE-O 3.33Å; S898-N900 VanDerWaalsContact C-N 3.3Å; S898-N900 WeakPolarHBondContact CB-OD1 3.24Å; S898-N900 WeakPolarHBondContact OG-CA 3.48Å; S898-N900 PolarHBondContact OG-N 2.95Å; S898-N900 PolarHBondContact OG-OD1 3.26Å
899	N	96.4	Very high	87.7	Confident	40 Å²	40	77.2 Å²	77.2	21%	0.214	39%	0.388	C	S	.	.			trans	-87.5	-1	165.1	70.5	9.2	0	0	0	113	R882 F883 K885 M901	R882-N899 PolarHBondContact O-ND2 3.36Å; F883-N899 WeakPolarHBondContact CA-ND2 3.38Å; F883-N899 PolarHBondContact O-N 3.4Å; F883-N899 PolarHBondContact O-OD1 3.39Å; F883-N899 VanDerWaalsContact O-OD1 3.06Å; K885-N899 HydrophobicContact CD-CB 4.46Å; N899-M901 HydrophobicContact CB-CG 4.47Å; N899-M901 PolarHBondContact O-N 3.11Å; N899-M901 VanDerWaalsContact OD1-CB 3.26Å; N899-M901 WeakPolarHBondContact OD1-CB 3.37Å; N899-M901 WeakPolarHBondContact OD1-CG 3.42Å; N899-M901 PolarHBondContact OD1-N 3.2Å
900	N	95.2	Very high	87.3	Confident	106 Å²	106	76.2 Å²	76.2	57%	0.567	38%	0.384	S	S	*	.	S	Bend	trans	63	19.1	-177.5	-59.6	-3.2	0	0	0	114.6	S898	S898-N900 VanDerWaalsContact C-N 3.3Å; S898-N900 WeakPolarHBondContact CB-OD1 3.24Å; S898-N900 WeakPolarHBondContact OG-CA 3.48Å; S898-N900 PolarHBondContact OG-N 2.95Å; S898-N900 PolarHBondContact OG-OD1 3.26Å
901	M	93.2	Very high	87.7	Confident	93 Å²	93	72.3 Å²	72.3	46%	0.458	35%	0.348	S	S	.	.			trans	-94.2	-21.2	179.5	-57.3	-178.6	67.8	0	0	113.8	N899 W903 E904 L905	N899-M901 HydrophobicContact CB-CG 4.47Å; N899-M901 PolarHBondContact O-N 3.11Å; N899-M901 VanDerWaalsContact OD1-CB 3.26Å; N899-M901 WeakPolarHBondContact OD1-CB 3.37Å; N899-M901 WeakPolarHBondContact OD1-CG 3.42Å; N899-M901 PolarHBondContact OD1-N 3.2Å; M901-W903 PolarHBondContact O-N 2.99Å; M901-E904 PolarHBondContact O-N 3.4Å; M901-L905 HydrophobicContact CB-CD1 3.82Å; M901-L905 HydrophobicContact CB-CG 4.46Å; M901-L905 HydrophobicContact CE-CD1 4.38Å; M901-L905 WeakPolarHBondContact O-CB 3.25Å; M901-L905 WeakPolarHBondContact O-CD1 3.49Å; M901-L905 VanDerWaalsContact O-CG 3.27Å; M901-L905 WeakPolarHBondContact O-CG 3.35Å; M901-L905 PolarHBondContact O-N 3.47Å
902	Y	95.3	Very high	87.7	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-55.7	-58.4	-172.9	-168.6	-83.9	0	0	0	112.5	E643 F654 P833 F883 E904 L905 R906 F911	E643-Y902 HydrophobicContact CB-CE1 4.06Å; E643-Y902 WeakPolarHBondContact CB-OH 3.49Å; E643-Y902 WeakPolarHBondContact OE2-CE1 3.43Å; E643-Y902 PolarHBondContact OE2-OH 3.43Å; F654-Y902 HydrophobicContact CB-CD1 3.76Å; F654-Y902 HydrophobicContact CB-CD2 4.15Å; F654-Y902 HydrophobicContact CB-CE1 3.78Å; F654-Y902 HydrophobicContact CB-CE2 4.17Å; F654-Y902 HydrophobicContact CB-CG 3.97Å; F654-Y902 HydrophobicContact CD1-CD1 4.06Å; F654-Y902 HydrophobicContact CD1-CG 4.03Å; F654-Y902 HydrophobicContact CD2-CD1 4.32Å; F654-Y902 AromaticContact CD2-CD2 3.68Å; F654-Y902 HydrophobicContact CD2-CD2 3.68Å; F654-Y902 HydrophobicContact CD2-CE2 4.36Å; F654-Y902 AromaticContact CD2-CG 3.68Å; F654-Y902 HydrophobicContact CD2-CG 3.68Å; F654-Y902 HydrophobicContact CE1-CG 4.44Å; F654-Y902 HydrophobicContact CE2-CD2 4.28Å; F654-Y902 HydrophobicContact CE2-CG 4.13Å; F654-Y902 AromaticContact CG-CD1 3.8Å; F654-Y902 HydrophobicContact CG-CD1 3.8Å; F654-Y902 AromaticContact CG-CD2 3.98Å; F654-Y902 HydrophobicContact CG-CD2 3.98Å; F654-Y902 HydrophobicContact CG-CE1 4.34Å; F654-Y902 HydrophobicContact CG-CE2 4.5Å; F654-Y902 AromaticContact CG-CG 3.63Å; F654-Y902 HydrophobicContact CG-CG 3.63Å; F654-Y902 HydrophobicContact CZ-CG 4.49Å; P833-Y902 WeakPolarHBondContact CD-OH 3.36Å; P833-Y902 HydrophobicContact CG-CE2 4.38Å; F883-Y902 HydrophobicContact CB-CD2 4.17Å; F883-Y902 AromaticContact CD1-CD2 3.57Å; F883-Y902 HydrophobicContact CD1-CD2 3.57Å; F883-Y902 HydrophobicContact CD1-CG 4.15Å; F883-Y902 AromaticContact CD2-CD2 3.74Å; F883-Y902 HydrophobicContact CD2-CD2 3.74Å; F883-Y902 HydrophobicContact CD2-CE2 4.15Å; F883-Y902 AromaticContact CE1-CD2 3.75Å; F883-Y902 HydrophobicContact CE1-CD2 3.75Å; F883-Y902 HydrophobicContact CE1-CE2 4.45Å; F883-Y902 HydrophobicContact CE1-CG 4.4Å; F883-Y902 AromaticContact CE2-CD2 3.92Å; F883-Y902 HydrophobicContact CE2-CD2 3.92Å; F883-Y902 HydrophobicContact CE2-CE2 4.03Å; F883-Y902 AromaticContact CG-CD2 3.55Å; F883-Y902 HydrophobicContact CG-CD2 3.55Å; F883-Y902 HydrophobicContact CG-CE2 4.4Å; F883-Y902 HydrophobicContact CG-CG 4.41Å; F883-Y902 AromaticContact CZ-CD2 3.91Å; F883-Y902 HydrophobicContact CZ-CD2 3.91Å; F883-Y902 HydrophobicContact CZ-CE2 4.18Å; Y902-E904 VanDerWaalsContact C-N 3.32Å; Y902-E904 PolarHBondContact O-N 3.07Å; Y902-L905 PolarHBondContact O-N 3.41Å; Y902-R906 WeakPolarHBondContact O-CB 3.33Å; Y902-R906 PolarHBondContact O-N 3.43Å; Y902-F911 HydrophobicContact CD1-CZ 4.27Å; Y902-F911 HydrophobicContact CD2-CZ 4.25Å; Y902-F911 HydrophobicContact CE1-CE2 4.42Å; Y902-F911 HydrophobicContact CE1-CZ 4.02Å; Y902-F911 HydrophobicContact CE2-CZ 4.01Å; Y902-F911 HydrophobicContact CG-CZ 4.36Å; Y902-F911 AromaticContact CZ-CZ 3.87Å
903	W	94.6	Very high	87.3	Confident	39 Å²	39	70.9 Å²	70.9	15%	0.148	35%	0.345	C	S	.	.	H	α-helix	trans	-68.1	-28.1	-179.9	-57.6	130.9	0	0	0	113.4	E643 I645 C652 F653 F654 E670 M901 K907	E643-W903 HydrophobicContact CB-CH2 4.21Å; I645-W903 HydrophobicContact CD1-CZ3 4.1Å; I645-W903 HydrophobicContact CG1-CH2 4.18Å; I645-W903 HydrophobicContact CG1-CZ3 4.23Å; C652-W903 HydrophobicContact CB-CH2 3.94Å; C652-W903 HydrophobicContact CB-CZ2 3.52Å; F653-W903 WeakPolarHBondContact O-CH2 3.49Å; F654-W903 HydrophobicContact CB-CH2 4.25Å; F654-W903 HydrophobicContact CB-CZ2 4.09Å; F654-W903 AromaticContact CD1-CE2 3.73Å; F654-W903 AromaticContact CD1-CZ2 3.73Å; F654-W903 HydrophobicContact CD1-CZ2 3.73Å; F654-W903 AromaticContact CD1-NE1 3.73Å; F654-W903 AromaticContact CE1-NE1 3.93Å; F654-W903 HydrophobicContact CG-CZ2 4.4Å; E670-W903 VanDerWaalsContact OE2-CD1 3.3Å; E670-W903 PolarHBondContact OE2-NE1 3.23Å; M901-W903 PolarHBondContact O-N 2.99Å; W903-K907 WeakPolarHBondContact O-CG 3.34Å; W903-K907 PolarHBondContact O-N 2.84Å
904	E	92.1	Very high	87	Confident	114 Å²	114	66.3 Å²	66.3	53%	0.533	33%	0.331	S	S	.	.	H	α-helix	trans	-70.8	-36.1	175	-60.8	-53.7	138.9	0	0	112.3	M901 Y902 K907	M901-E904 PolarHBondContact O-N 3.4Å; Y902-E904 VanDerWaalsContact C-N 3.32Å; Y902-E904 PolarHBondContact O-N 3.07Å; E904-K907 PolarHBondContact O-N 3.37Å; E904-K907 IonicContact OE1-NZ 2.63Å; E904-K907 PolarHBondContact OE1-NZ 3.44Å; E904-K907 WeakPolarHBondContact OE2-CE 3.45Å; E904-K907 IonicContact OE2-NZ 2.71Å; E904-K907 PolarHBondContact OE2-NZ 2.99Å
905	L	90.8	Very high	86.1	Confident	49 Å²	49	69.8 Å²	69.8	26%	0.257	35%	0.347	S	S	.	.	H	α-helix	trans	-78.7	-24.2	176.2	-69.3	163.3	0	0	0	113	F883 M901 Y902 F911 M914	F883-L905 HydrophobicContact CE1-CD1 3.82Å; M901-L905 HydrophobicContact CB-CD1 3.82Å; M901-L905 HydrophobicContact CB-CG 4.46Å; M901-L905 HydrophobicContact CE-CD1 4.38Å; M901-L905 WeakPolarHBondContact O-CB 3.25Å; M901-L905 WeakPolarHBondContact O-CD1 3.49Å; M901-L905 VanDerWaalsContact O-CG 3.27Å; M901-L905 WeakPolarHBondContact O-CG 3.35Å; M901-L905 PolarHBondContact O-N 3.47Å; Y902-L905 PolarHBondContact O-N 3.41Å; L905-F911 HydrophobicContact CB-CD1 3.76Å; L905-F911 HydrophobicContact CB-CE1 3.49Å; L905-F911 VanDerWaalsContact CB-CE1 3.49Å; L905-F911 HydrophobicContact CB-CZ 4.41Å; L905-F911 PolarHBondContact O-N 3.39Å; L905-M914 HydrophobicContact CD1-CE 3.37Å; L905-M914 HydrophobicContact CD1-SD 4.01Å; L905-M914 HydrophobicContact CD2-CE 3.96Å; L905-M914 HydrophobicContact CD2-SD 4.27Å; L905-M914 HydrophobicContact CG-CE 4.27Å
906	R	91.8	Very high	84.7	Confident	53 Å²	53	72.7 Å²	72.7	20%	0.2	37%	0.373	C	S	.	.	H	α-helix	trans	-75	-23.8	170.9	-164.4	-169.3	-169.6	-73.7	3.4	113	E643 Y902 G910 F911	E643-R906 VanDerWaalsContact CD-NE 3.3Å; E643-R906 IonicContact OE1-CZ 3.34Å; E643-R906 IonicContact OE1-NE 3.11Å; E643-R906 PolarHBondContact OE1-NE 3.15Å; E643-R906 VanDerWaalsContact OE1-NE 3.11Å; E643-R906 IonicContact OE1-NH2 2.77Å; E643-R906 PolarHBondContact OE1-NH2 3.08Å; E643-R906 VanDerWaalsContact OE2-CD 3.24Å; E643-R906 WeakPolarHBondContact OE2-CD 3.45Å; E643-R906 IonicContact OE2-CZ 3.69Å; E643-R906 IonicContact OE2-NE 2.69Å; E643-R906 PolarHBondContact OE2-NE 3.42Å; E643-R906 IonicContact OE2-NH2 3.67Å; Y902-R906 WeakPolarHBondContact O-CB 3.33Å; Y902-R906 PolarHBondContact O-N 3.43Å; R906-G910 WeakPolarHBondContact O-CA 3.43Å; R906-F911 HydrophobicContact CB-CD2 4.38Å; R906-F911 HydrophobicContact CB-CE2 3.61Å; R906-F911 HydrophobicContact CB-CZ 3.82Å; R906-F911 HydrophobicContact CG-CD2 4.4Å; R906-F911 HydrophobicContact CG-CE2 3.74Å; R906-F911 HydrophobicContact CG-CZ 4.41Å
907	K	88.8	Confident	83.1	Confident	116 Å²	116	74.5 Å²	74.5	50%	0.504	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	158.1	172.5	-73.3	167.1	-159.3	176.5	0	110.2	W903 E904 P909 G910	W903-K907 WeakPolarHBondContact O-CG 3.34Å; W903-K907 PolarHBondContact O-N 2.84Å; E904-K907 PolarHBondContact O-N 3.37Å; E904-K907 IonicContact OE1-NZ 2.63Å; E904-K907 PolarHBondContact OE1-NZ 3.44Å; E904-K907 WeakPolarHBondContact OE2-CE 3.45Å; E904-K907 IonicContact OE2-NZ 2.71Å; E904-K907 PolarHBondContact OE2-NZ 2.99Å; K907-P909 VanDerWaalsContact O-N 3.14Å; K907-G910 PolarHBondContact O-N 3Å
908	N	75.5	Confident	81.7	Confident	168 Å²	168	77.6 Å²	77.6	90%	0.898	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46	117.4	-168.8	-58.4	-22.5	0	0	0	112.4
909	P	67.6	Low	81	Confident	57 Å²	57	81.1 Å²	81.1	37%	0.37	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	cis	-110.3	63.9	15.6	41.1	-32.2	0	0	0	114.8	K907 F911 I912 N913	K907-P909 VanDerWaalsContact O-N 3.14Å; P909-F911 PolarHBondContact O-N 2.82Å; P909-I912 HydrophobicContact CB-CB 4.49Å; P909-I912 WeakPolarHBondContact O-CB 3.37Å; P909-I912 VanDerWaalsContact O-CG1 3.25Å; P909-I912 WeakPolarHBondContact O-CG1 3.43Å; P909-I912 PolarHBondContact O-N 3.41Å; P909-N913 HydrophobicContact CG-CB 4.21Å; P909-N913 VanDerWaalsContact CG-CG 3.43Å; P909-N913 WeakPolarHBondContact CG-ND2 3.38Å
910	G	72.1	Confident	80.6	Confident	7 Å²	7	79.8 Å²	79.8	7%	0.072	42%	0.424	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	54	154.7	0	0	0	0	0	116	R906 K907 I912	R906-G910 WeakPolarHBondContact O-CA 3.43Å; K907-G910 PolarHBondContact O-N 3Å; G910-I912 PolarHBondContact O-N 3.43Å
911	F	86.3	Confident	80.4	Confident	21 Å²	21	77.7 Å²	77.7	9%	0.092	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	-3.2	-173.6	-53.1	-79.6	0	0	0	117	A831 P833 F883 Y902 L905 R906 P909 N913 M914	A831-F911 WeakPolarHBondContact O-CD2 3.42Å; P833-F911 HydrophobicContact CB-CD1 4.31Å; P833-F911 HydrophobicContact CB-CD2 3.89Å; P833-F911 HydrophobicContact CB-CE2 4.11Å; P833-F911 HydrophobicContact CB-CG 4Å; P833-F911 HydrophobicContact CB-CZ 4.41Å; P833-F911 HydrophobicContact CG-CD2 4.29Å; P833-F911 HydrophobicContact CG-CE2 4.07Å; P833-F911 HydrophobicContact CG-CZ 4.41Å; F883-F911 AromaticContact CE1-CE1 3.86Å; F883-F911 HydrophobicContact CE1-CE1 3.86Å; F883-F911 HydrophobicContact CZ-CD1 4.49Å; F883-F911 AromaticContact CZ-CE1 3.77Å; F883-F911 HydrophobicContact CZ-CE1 3.77Å; F883-F911 HydrophobicContact CZ-CZ 4.44Å; Y902-F911 HydrophobicContact CD1-CZ 4.27Å; Y902-F911 HydrophobicContact CD2-CZ 4.25Å; Y902-F911 HydrophobicContact CE1-CE2 4.42Å; Y902-F911 HydrophobicContact CE1-CZ 4.02Å; Y902-F911 HydrophobicContact CE2-CZ 4.01Å; Y902-F911 HydrophobicContact CG-CZ 4.36Å; Y902-F911 AromaticContact CZ-CZ 3.87Å; L905-F911 HydrophobicContact CB-CD1 3.76Å; L905-F911 HydrophobicContact CB-CE1 3.49Å; L905-F911 VanDerWaalsContact CB-CE1 3.49Å; L905-F911 HydrophobicContact CB-CZ 4.41Å; L905-F911 PolarHBondContact O-N 3.39Å; R906-F911 HydrophobicContact CB-CD2 4.38Å; R906-F911 HydrophobicContact CB-CE2 3.61Å; R906-F911 HydrophobicContact CB-CZ 3.82Å; R906-F911 HydrophobicContact CG-CD2 4.4Å; R906-F911 HydrophobicContact CG-CE2 3.74Å; R906-F911 HydrophobicContact CG-CZ 4.41Å; P909-F911 PolarHBondContact O-N 2.82Å; F911-N913 VanDerWaalsContact C-N 3.27Å; F911-N913 PolarHBondContact O-N 3.12Å; F911-M914 HydrophobicContact CD1-SD 4.01Å; F911-M914 VanDerWaalsContact O-CB 3.24Å; F911-M914 WeakPolarHBondContact O-CB 3.24Å; F911-M914 PolarHBondContact O-N 3.09Å
912	I	76.4	Confident	79.8	Confident	119 Å²	119	77 Å²	77	61%	0.61	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-36.2	-178.6	-62.1	170.4	0	0	0	111.8	P909 G910 M914	P909-I912 HydrophobicContact CB-CB 4.49Å; P909-I912 WeakPolarHBondContact O-CB 3.37Å; P909-I912 VanDerWaalsContact O-CG1 3.25Å; P909-I912 WeakPolarHBondContact O-CG1 3.43Å; P909-I912 PolarHBondContact O-N 3.41Å; G910-I912 PolarHBondContact O-N 3.43Å; I912-M914 PolarHBondContact O-N 3.09Å
913	N	71.3	Confident	79	Confident	137 Å²	137	81 Å²	81	73%	0.733	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-2.7	177.3	-74.5	-0.4	0	0	0	113.9	P909 F911	P909-N913 HydrophobicContact CG-CB 4.21Å; P909-N913 VanDerWaalsContact CG-CG 3.43Å; P909-N913 WeakPolarHBondContact CG-ND2 3.38Å; F911-N913 VanDerWaalsContact C-N 3.27Å; F911-N913 PolarHBondContact O-N 3.12Å
914	M	74.4	Confident	78.1	Confident	50 Å²	50	83.3 Å²	83.3	25%	0.246	44%	0.442	C	S	.	.	S	Bend	trans	-82.6	134.4	-177.8	-139.1	178.6	-178.1	0	0	110	R882 L905 F911 I912	R882-M914 HydrophobicContact CG-CE 4.2Å; L905-M914 HydrophobicContact CD1-CE 3.37Å; L905-M914 HydrophobicContact CD1-SD 4.01Å; L905-M914 HydrophobicContact CD2-CE 3.96Å; L905-M914 HydrophobicContact CD2-SD 4.27Å; L905-M914 HydrophobicContact CG-CE 4.27Å; F911-M914 HydrophobicContact CD1-SD 4.01Å; F911-M914 VanDerWaalsContact O-CB 3.24Å; F911-M914 WeakPolarHBondContact O-CB 3.24Å; F911-M914 PolarHBondContact O-N 3.09Å; I912-M914 PolarHBondContact O-N 3.09Å
915	E	68.2	Low	77.3	Confident	166 Å²	166	81.5 Å²	81.5	78%	0.776	44%	0.437	S	S	*	.			trans	-53.3	138.6	177.6	-71.5	-169.7	153.4	0	0	110.9	R882 T917	R882-E915 PolarHBondContact NH2-O 3.23Å; E915-T917 PolarHBondContact O-N 3.29Å
916	P	60.9	Low	76.4	Confident	118 Å²	118	83.6 Å²	83.6	77%	0.766	45%	0.448	S	S	*	.			trans	-64.9	102.8	-177.6	26.3	-33.8	0	0	0	109.7
917	T	62.8	Low	75.4	Confident	65 Å²	65	85.6 Å²	85.6	40%	0.399	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-56.2	154.2	167.2	25	0	0	0	0	110.7	R882 E915 S919	R882-T917 PolarHBondContact NH1-OG1 3.5Å; R882-T917 VanDerWaalsContact NH1-OG1 3.07Å; E915-T917 PolarHBondContact O-N 3.29Å; T917-S919 PolarHBondContact O-N 2.88Å; T917-S919 VanDerWaalsContact O-N 3.16Å
918	V	66	Low	74.4	Confident	103 Å²	103	83.4 Å²	83.4	62%	0.624	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-47.7	123.7	175.5	-173.5	0	0	0	0	109.8	L920	V918-L920 PolarHBondContact O-N 2.99Å
919	S	81.4	Confident	74.4	Confident	83 Å²	83	76.9 Å²	76.9	58%	0.58	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-56.3	127.3	-179.2	-141.2	0	0	0	0	109.8	R868 T917 W921	R868-S919 PolarHBondContact NH1-O 2.81Å; R868-S919 VanDerWaalsContact NH1-O 3.13Å; T917-S919 PolarHBondContact O-N 2.88Å; T917-S919 VanDerWaalsContact O-N 3.16Å; S919-W921 VanDerWaalsContact CB-O 3.23Å; S919-W921 WeakPolarHBondContact CB-O 3.18Å; S919-W921 PolarHBondContact OG-O 3.41Å
920	L	88.9	Confident	74.9	Confident	12 Å²	12	78.6 Å²	78.6	6%	0.063	43%	0.433	C	S	.	.			trans	-76.8	-34.3	178.4	-64	-174.7	0	0	0	111.1	L637 E640 T835 V918	L637-L920 HydrophobicContact CD1-CB 3.96Å; E640-L920 HydrophobicContact CB-CD1 4.06Å; T835-L920 HydrophobicContact CG2-CD1 3.66Å; T835-L920 HydrophobicContact CG2-CG 4.12Å; V918-L920 PolarHBondContact O-N 2.99Å
921	W	90.6	Very high	75.2	Confident	62 Å²	62	85.1 Å²	85.1	24%	0.235	47%	0.466	C	S	.	.			trans	-125.2	0	171.3	37.4	88.2	0	0	0	109.6	L637 E640 R834 F839 R840 P841 R860 I861 S919	L637-W921 HydrophobicContact CD1-CE3 3.78Å; L637-W921 HydrophobicContact CD1-CZ3 3.93Å; E640-W921 HydrophobicContact CG-CZ3 4.35Å; R834-W921 WeakPolarHBondContact O-CZ2 3.01Å; F839-W921 HydrophobicContact CB-CZ2 3.82Å; R840-W921 HydrophobicContact CB-CE3 4.33Å; R840-W921 HydrophobicContact CB-CH2 4.08Å; R840-W921 HydrophobicContact CB-CZ3 3.91Å; R840-W921 HydrophobicContact CG-CE3 4.33Å; R840-W921 HydrophobicContact CG-CZ3 4.17Å; P841-W921 HydrophobicContact CG-CB 4.22Å; P841-W921 HydrophobicContact CG-CG 4.32Å; R860-W921 PolarHBondContact NH1-OXT 2.96Å; R860-W921 PolarHBondContact NH2-OXT 3.3Å; I861-W921 HydrophobicContact CD1-CB 3.71Å; I861-W921 HydrophobicContact CG1-CB 3.9Å; S919-W921 VanDerWaalsContact CB-O 3.23Å; S919-W921 WeakPolarHBondContact CB-O 3.18Å; S919-W921 PolarHBondContact OG-O 3.41Å

Retrieved 921 of 921 residues in 821.1 ms (Link to these results)

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